"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.091","Br.094","Br.095","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.007","C.008","C.009","C.010","C.011","C.012","C.013","C.014","C.015","C.016","C.017","C.018","C.019","C.020","C.021","C.022","C.024","C.025","C.026","C.027","C.028","C.029","C.030","C.031","C.032","C.033","C.034","C.035","C.036","C.037","C.038","C.039","C.040","C.041","C.042","C.043","C.044","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_AP","CATS2D_01_DA","CATS2D_01_DD","CATS2D_01_DN","CATS2D_01_DP","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_DN","CATS2D_02_DP","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_04_PP","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_05_PP","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_06_PP","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_07_PP","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.086","Cl.087","Cl.088","Cl.089","Cl.090","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr03","D.Dtr04","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","D.Dtr10","D.Dtr11","D.Dtr12","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.dm.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.dm.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.dm.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.dm.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.dm.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.082","F.083","F.084","F.085","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","H.054","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.50","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.066","N.067","N.068","N.069","N.070","N.071","N.072","N.073","N.074","N.075","N.076","N.077","N.078","N.079","n124.Triazines","n135.Triazines","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCHO","nArCN","nArC.N","nArCNO","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArCOOR","nArCOSR","nArNH2","nArNHR","nArNO","nArNO2","nArNR2","nArOCON","nArOH","nArOR","nArSCN","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCconjX","nCH2RX","nCHRX2","nCIC","nCIR","nCL","nC.N.N.","nC..N.N2","nCONN","nC.O.O.2","nCp","nCq","nCR2X2","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nCXr.","nDB","NdCH2","NddC","NddsN","NddssS","NdNH","NdO","NdS","NdsCH","NdsN","NdssC","NdssS","NdsssP","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nImidazoles","nIsothiazoles","nIsoxazoles","nN","nN.","nN.C.N.","nN.CO.2","nN.N","nN.N.1","NNRS","nO","nOHp","nOHs","nOHt","nOxazoles","nOxiranes","nOxolanes","nP","nP..O.O2R","nPyrazines","nPyrazoles","nPyridazines","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR03","nR04","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nR.C.","nRCHO","nR.CH.X","nRCN","nRC.N","nRCNO","nRCO","nRCONH2","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nRCOSR","nR.Cp","nR.CRX","nR.Cs","nR.Ct","nR.CX2","nRNH2","nRNHR","nRNO2","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nS","NsBr","NsCH3","NsCl","NsF","nSK","NsNH2","nSO","nS..O.2","nSO2N","nSO3","NsOH","NssCH2","NsSH","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","NtCH","nThiazoles","nThiophenes","ntH.Thiophenes","NtN","nTriazoles","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","ON0","ON0V","ON1","ON1V","P.120","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_0d","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_0d","Psi_i_1","Psi_i_1d","Psi_i_1s","Psi_i_A","Psi_i_s","Psi_i_t","Psychotic.50","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_4","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_p_4","P_VSA_s_1","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_5","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.106","S.107","S.108","S.109","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaaS","SaasC","SaasN","SAdon","SAtot","SCBO","SdCH2","SddC","SddsN","SddssS","SdNH","SdO","SdS","SdsCH","SdsN","SdssC","SdssS","SdsssP","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW03","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsNH2","SsOH","SssCH2","SsSH","SssNH","SssO","SssS","SsssCH","SsssN","SssssC","StCH","StN","StsC","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 1.547,2 10.667,3 0.454,4 0.206,5 125.854,6 7.897,7 0.3,8 4.273,9 4.356,10 3.855,11 3.779,12 5.474,13 3.791,14 4.842,15 4.959,16 4.334,17 4.236,18 6.021,19 4.244,20 5.225,21 5.359,22 4.573,23 4.456,24 6.554,25 4.468,26 5.378,27 5.533,28 4.602,29 4.479,30 6.768,31 4.483,32 5.379,33 5.562,34 4.535,35 4.428,36 6.791,37 4.417,38 5.258,39 5.417,40 4.484,41 4.402,42 6.602,43 4.391,44 5.3,45 5.455,46 4.475,47 4.429,48 6.663,49 4.409,50 5.339,51 5.527,52 4.41,53 4.407,54 6.672,55 4.364,56 0.266,57 0.84,58 12.254,59 6.385,60 49.218,61 7.024,62 0.563,63 1.413,64 23.794,65 11.122,66 81.359,67 12.882,68 1.218,69 1.916,70 38.547,71 14.895,72 184.392,73 17.18,74 1.727,75 2.106,76 48.048,77 16.646,78 265.392,79 19.707,80 2.082,81 2.044,82 51.534,83 16.575,84 309.893,85 20.581,86 1.543,87 1.896,88 42.558,89 15.276,90 235.099,91 18.364,92 1.623,93 1.983,94 43.964,95 15.719,96 256.21,97 18.777,98 1.582,99 2.039,100 47.978,101 16.365,102 269.038,103 20.706,104 102,105 63,106 0.248,107 0.641,108 0.826,109 0.861,110 0.872,111 0.882,112 3.617,113 0.878,114 -1.65,115 -1.72,116 -1.75,120 41.3,121 2,122 3,128 4,129 1,131 1,143 4,144 6,145 2,157 1,158 2,164 1,165 1,166 1,174 9,176 1,177 10,182 7,185 13,187 1,189 9,192 2,193 1,194 9,196 1,197 13,201 12,203 2,204 6,206 6,209 12,211 1,213 2,214 9,217 4,218 2,219 6,222 10,226 1,227 6,230 3,231 1,232 10,235 12,237 2,239 2,240 7,243 3,245 8,247 10,249 1,251 2,252 6,255 1,256 2,257 7,259 2,260 7,262 2,263 2,264 8,266 1,267 1,268 3,269 7,270 1,271 7,273 2,274 2158,275 23.283,276 23.283,277 23.283,278 23.283,279 23.283,280 21.444,281 22.197,282 12.746,283 23.449,284 19.588,285 19.588,286 19.588,287 19.588,288 19.588,289 16.613,290 24.352,291 5.941,292 19.922,293 4.431,294 1.972,295 0.818,296 0.595,297 0.532,298 0.468,299 4.311,307 1,308 832,309 3.808,313 352.602,317 324.237,320 1.519,321 89.2,324 0.75,325 0.5,326 0.83,327 0.9,328 1,329 0.67,330 0.5,331 0.74,332 81.5,333 384,334 4.841,335 4.109,336 7.473,337 4.543,338 3.557,339 4.576,340 2.26,341 13.335,342 3.515,343 4.533,344 3.846,345 7.254,346 4.365,347 3.371,348 3.993,349 1.465,350 12.677,351 3.338,352 4.279,353 3.495,354 6.72,355 3.98,356 3.006,357 3.576,358 0.811,359 10.79,360 2.942,361 3.992,362 3.394,363 6.314,364 3.923,365 2.948,366 3.272,367 0.28,368 9.332,369 2.842,370 3.898,371 3.313,372 6.244,373 3.583,374 2.594,375 3.136,377 9.02,378 2.577,379 3.754,380 2.901,381 6.128,382 3.444,383 2.45,384 2.981,386 8.595,387 2.423,388 3.442,389 2.742,390 5.628,391 3.201,392 2.211,393 2.645,395 7.164,396 2.18,397 3.248,398 2.59,399 5.342,400 3.035,401 2.038,402 2.308,404 6.453,405 2.015,406 2.994,407 2.422,408 4.943,409 2.821,410 1.879,411 2.155,413 5.225,414 1.76,415 2.879,416 2.245,417 4.879,418 2.648,419 1.667,420 1.879,422 5.098,423 1.629,424 2.843,425 2.149,426 4.52,427 2.459,428 1.461,429 1.841,431 3.477,432 1.457,433 2.682,434 1.911,435 4.202,436 2.419,437 1.382,438 1.67,440 3.265,441 1.409,442 2.508,443 1.35,444 3.978,445 2.019,446 1.006,447 1.454,449 2.583,450 1.015,451 2.365,452 1.262,453 3.681,454 1.854,455 0.847,456 1.154,458 2.229,459 0.838,460 1.668,461 1.128,462 3.474,463 1.423,464 0.519,465 0.524,467 1.273,468 0.462,469 16.4,470 0.456,471 1.403,472 0.039,473 40.5,474 1.125,475 17.5,476 0.486,477 23,478 0.639,479 41.459,480 1.152,481 40.6,482 0.644,483 41.041,484 1.14,485 7.764,486 0.216,487 9.177,488 0.255,489 0.228,490 0.03,491 0.488,496 0.871,497 1.008,498 0.779,499 0.979,500 0.838,501 0.87,502 0.799,503 1.085,504 0.725,505 1.052,506 0.664,507 0.901,508 1.108,509 1.054,510 0.937,511 1.037,512 0.955,513 0.953,514 1.162,515 1.046,516 1.016,517 1.056,518 1.141,519 1.004,520 1.032,521 0.829,522 0.91,523 0.839,524 0.882,525 0.837,526 1.033,527 1.007,528 0.964,529 1.006,530 1.02,531 0.974,532 1.089,533 1.096,534 1.096,535 1.094,536 1.125,537 1.097,538 0.99,539 1.074,540 1.022,541 1.059,542 1.007,543 1.056,544 9,545 0.244,546 5.778,547 4.563,548 4.436,549 2.396,550 1.544,551 1.191,552 0.928,553 0.497,554 16030,555 49253,556 2.014,557 42.9,559 8,560 1,562 6,563 3,564 5,565 2,566 2,567 1.784,568 1.793,569 3.333,570 3.069,572 1,575 97.446,576 1.547,577 4.005,578 5.16,579 5.382,580 5.445,581 5.509,582 2.815,583 4.684,584 5.142,585 3.497,586 2203.17,587 9.094,588 32236.8,593 376.569,594 1.677,595 5.046,596 0.225,597 0.008,598 0.092,599 0.06,600 0.06,601 0.035,602 0.023,603 0.018,604 0.015,605 0.01,606 0.546,607 0.33,608 0.63,609 0.801,610 189.476,611 -0.133,612 0.177,613 -0.015,614 0.154,615 -0.146,616 0.12,617 -0.016,618 0.026,619 0.104,620 0.045,621 -0.021,622 0.101,623 -0.089,624 -0.004,625 -0.015,626 -0.013,627 -0.04,628 0.006,629 -0.04,630 -0.051,631 -0.033,632 -0.074,633 -0.048,634 -0.055,635 0.086,636 0.122,637 0.116,638 0.124,639 0.123,640 0.131,641 0.013,642 -0.013,643 0.004,644 -0.004,645 -0.014,646 -0.002,647 -0.031,648 -0.093,649 -0.132,650 -0.097,651 -0.062,652 -0.136,653 -0.01,654 -0.099,655 -0.031,656 -0.08,657 0.005,658 -0.069,659 3.225,660 6.33,661 0.667,662 32.836,663 1.024,664 1.124,665 0.423,666 0.179,667 0.651,668 3.714,669 4.159,670 4.522,671 4.852,672 5.193,673 5.416,674 5.631,675 5.849,676 6.08,677 6.194,678 6.344,679 0.64,680 497.54,681 3.714,682 5.333,683 6.244,684 7.188,685 8.119,686 9.068,687 10.008,688 10.96,689 11.905,690 12.86,691 1.6,692 1,709 4,714 8,716 12,721 2,734 2,738 63,739 15,740 2,741 40,743 67,744 26,745 12,746 8,747 4,748 2,752 5,753 11,759 2,763 7,764 1,766 7,768 15,769 11,770 1,772 3,778 3,782 3,789 27,790 10,791 6,792 10,797 1,803 0.4,804 9,806 1,807 1,823 5,827 3,836 1,848 1,853 2,854 2,855 2,859 2,862 36,863 1,868 4,869 3,872 2,874 5,876 1,886 14.3,887 2,888 2,889 3,890 2,893 20.083,894 11.467,895 7.556,896 3.689,898 2.625,899 1.296,900 0.892,901 5.973,902 11.492,903 3.912,904 4.533,905 5.136,906 5.713,907 6.306,908 6.697,909 7.152,910 7.554,911 7.992,912 8.277,913 1,914 76,915 13.856,917 6.828,918 8.243,919 24.773,921 21.948,924 2.743,925 98.75,929 247.193,930 98.032,931 32.897,933 268.168,936 98.032,937 515.361,938 32.897,939 17.65,940 40.501,941 123.631,942 198.202,943 19.113,944 11.771,945 235.422,947 247.193,948 130.93,949 268.168,952 164.795,953 243.199,954 107.366,955 0.36,956 58.151,957 72.419,960 247.193,961 301.065,962 98.032,965 247.553,966 42.117,967 55.555,969 301.065,970 247.193,971 301.065,972 98.032,973 0.616,974 0.385,975 0.202,976 0.115,977 34,978 18,979 0.045,980 3,981 3,982 1.25,983 4.13,984 394.409,985 0.25,986 24,987 184.117,993 24.87,994 8.646,995 3.778,997 301.065,998 6.074,1003 -1.799,1005 203.631,1006 646.291,1007 49,1013 39.023,1017 -1.902,1020 64.534,1021 70.781,1022 0.259,1023 0.67,1024 0.863,1025 0.9,1026 0.911,1027 0.922,1028 5.252,1029 2.038,1030 6.319,1031 7.164,1032 4.844,1033 5.22,1034 2.723,1035 7.281,1036 4.812,1037 6.502,1038 1.879,1039 7.989,1040 6.453,1041 4.796,1042 5.293,1043 2.036,1044 8.566,1045 4.74,1046 7.864,1047 1.667,1048 9.76,1049 5.225,1050 6.627,1051 7.418,1052 3.794,1053 11.704,1054 6.565,1055 9.256,1056 1.461,1057 11.59,1058 5.098,1059 7.334,1060 8.265,1061 3.889,1062 13.755,1063 7.251,1064 10.681,1065 1.382,1066 13.455,1067 3.477,1068 8.735,1069 9.969,1070 5.146,1071 16.484,1072 8.646,1073 12.129,1074 1.006,1075 15.346,1076 3.265,1077 9.75,1078 11.156,1079 5.617,1080 18.839,1081 9.644,1082 13.595,1083 0.847,1084 17.255,1085 2.583,1086 11.02,1087 12.72,1088 6.642,1089 21.445,1090 10.906,1091 3.557,1092 0.519,1093 19.177,1094 2.229,1095 12.161,1096 14.067,1097 7.293,1098 23.924,1099 12.034,1100 3.371,1101 13.335,1102 21.112,1103 1.273,1104 13.395,1105 15.583,1106 8.208,1107 26.496,1108 13.259,1109 3.006,1110 12.677,1111 23.055,1112 4.576,1113 14.59,1114 17.008,1115 8.946,1116 29.026,1117 14.442,1118 2.948,1119 10.79,1120 25.006,1121 3.993,1122 15.819,1123 18.511,1124 9.809,1125 31.591,1126 15.662,1127 2.594,1128 9.332,1129 26.964,1130 3.576,1131 17.038,1132 19.976,1133 10.587,1134 34.144,1135 16.87,1136 2.45,1137 9.02,1138 28.928,1139 3.272,1140 18.271,1141 21.477,1142 11.426,1143 36.71,1144 18.094,1145 2.211,1146 8.595,1147 30.896,1148 3.136,1149 19.502,1150 22.964,1151 12.223,1152 39.273,1153 19.315,1154 15363,1155 27026,1156 25.202,1157 40.994,1158 63.754,1159 66.514,1160 67.629,1161 62.571,1162 62.504,1163 75.158,1164 9.632,1165 202.681,1166 61.424,1167 5.841,1168 6.109,1169 7.152,1170 5.591,1171 5.557,1172 7.576,1173 3.855,1174 21.335,1175 5.515,1176 24.579,1177 1.594,1178 1.663,1179 1.691,1180 1.564,1181 1.563,1182 1.879,1183 0.241,1184 5.067,1185 1.536,1186 4.123,1187 4.127,1188 4.098,1189 4.056,1190 7.437,1191 4.065,1192 3.908,1193 3.927,1194 3.848,1195 3.821,1196 7.428,1197 3.823,1198 3.84,1199 3.873,1200 3.746,1201 3.673,1202 7.419,1203 3.684,1204 3.651,1205 3.665,1206 3.591,1207 3.527,1208 6.48,1209 3.538,1210 3.396,1211 3.433,1212 3.301,1213 3.212,1214 6.454,1215 3.224,1216 3.304,1217 3.384,1218 3.198,1219 3.127,1220 6.449,1221 3.116,1222 3.242,1223 3.261,1224 3.123,1225 3.057,1226 6.439,1227 3.08,1228 3.164,1229 3.178,1230 3.064,1231 2.938,1232 4.998,1233 2.958,1234 0.121,1235 0.103,1236 0.187,1237 0.114,1238 0.089,1239 4.841,1240 0.114,1241 4.109,1242 0.056,1243 7.473,1244 0.333,1245 4.543,1246 0.088,1247 3.557,1248 4.576,1249 2.26,1250 13.335,1251 3.515,1252 2.059,1253 2.055,1254 2.114,1255 2.141,1256 1.418,1257 2.13,1258 1.881,1259 1.862,1260 2,1261 2.014,1262 1.297,1263 2.007,1264 1.783,1265 1.746,1266 1.966,1267 1.964,1268 1.163,1269 1.966,1270 1.602,1271 1.584,1272 1.741,1273 1.754,1274 0.888,1275 1.746,1276 1.354,1277 1.307,1278 1.661,1279 1.581,1280 0.883,1281 1.607,1282 1.303,1283 1.233,1284 1.575,1285 1.538,1286 0.733,1287 1.549,1288 1.16,1289 1.135,1290 1.4,1291 1.414,1292 0.62,1293 1.406,1294 1.053,1295 1.031,1296 1.293,1297 1.322,1298 0.474,1299 1.295,1300 4.394,1302 5.808,1304 7.428,1306 9.149,1308 10.925,1310 2.802,1313 5.999,1314 43.82,1315 -0.613,1318 11.758,1320 -4.435,1322 -1.975,1326 40.303,1327 97.446,1328 252.327,1329 325.059,1330 339.059,1331 343.059,1332 347.059,1333 138.588,1334 8.866,1335 176.61,1336 176.61,1337 30,1338 13.348,1339 4,1340 3.322,1341 53.94,1342 137,1343 146,1344 0.197,1345 239.618,1346 441.11,1347 576.429,1348 89651,1350 26.102,1351 0.725,1352 0.548,1353 26.102,1354 19.725,1355 16.941,1356 0.424,1357 0.293,1358 11.533,1359 16.214,1360 11.286,1361 9.151,1362 16.941,1363 11.713,1364 16.808,1365 0.267,1366 0.156,1367 16.808,1368 9.798,1369 15.085,1370 0.166,1371 0.082,1372 15.085,1373 7.496,1374 12.635,1375 0.099,1376 0.043,1377 12.635,1378 5.423,1379 10.738,1380 0.06,1381 0.022,1382 10.738,1383 3.946,1384 0.296,1385 107.532,1386 0.199,1387 31.677,1388 0.583,1389 206,1390 668.589,1391 231.053,1392 623.027,1393 825.26,1394 576,1395 257,1396 583.816,1397 282.86,1398 581.698,1399 878.45,1400 550,1401 5.522}
{0 CHEMBL1215474,1 1.34,2 10.13,3 3.361,4 11.293,5 95.233,6 6.81,7 0.615,8 3.901,9 4.04,10 3.419,11 3.449,12 4.874,13 3.412,14 4.462,15 4.665,16 3.762,17 3.852,18 5.349,19 3.792,20 4.701,21 4.934,22 3.772,23 4.003,24 5.502,25 3.897,26 4.801,27 5.062,28 3.642,29 4.006,30 5.531,31 3.851,32 4.778,33 5.064,34 3.553,35 3.94,36 5.48,37 3.778,38 4.698,39 4.966,40 3.412,41 3.876,42 5.395,43 3.692,44 4.654,45 4.973,46 3.177,47 3.684,48 5.285,49 3.474,50 4.345,51 4.669,52 2.984,53 3.401,54 4.988,55 3.216,56 0.049,57 0.695,58 10.275,59 3.948,60 7.724,61 5.757,62 0.183,63 1.152,64 19.109,65 6.375,66 15.929,67 9.626,68 0.231,69 1.381,70 24.68,71 8.51,72 18.309,73 12.787,74 0.225,75 1.434,76 27.585,77 10.023,78 20.677,79 14.964,80 0.245,81 1.356,82 27.395,83 9.778,84 22.95,85 14.683,86 0.159,87 1.257,88 24.846,89 9.414,90 18.162,91 13.974,92 0.218,93 1.124,94 24.645,95 8.71,96 20.758,97 13.199,98 0.142,99 0.819,100 18.066,101 6.368,102 14.985,103 9.691,104 2,105 36,106 0.231,107 0.564,108 0.719,109 0.825,110 0.843,111 0.843,112 3.188,113 0.953,114 -3.93,115 -3.88,116 -3.68,120 42.2,121 1,126 5,143 7,144 2,146 1,148 1,153 2,174 7,176 1,177 4,182 4,185 7,188 1,189 3,194 2,197 5,201 3,204 1,206 1,209 3,213 1,214 4,222 2,227 3,240 4,243 1,247 1,252 3,260 2,264 3,267 1,269 1,271 4,274 671,275 15.999,276 15.999,277 15.999,278 15.999,279 15.999,280 14.063,281 16.674,282 9.58,283 16.345,284 12.87,285 12.87,286 12.87,287 12.87,288 12.87,289 10.065,290 24.526,291 4.576,292 13.433,293 4.152,294 2.217,295 1.315,296 0.7,297 0.595,298 0.595,299 3.892,305 1,306 1,307 1,308 521,309 2.121,312 48.867,313 202.704,316 92.571,320 1.603,321 8.621,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48,333 233,334 4.617,335 3.332,336 6.726,337 4.165,338 3.184,339 4.566,340 0.916,341 10.951,342 3.124,343 4.081,344 3.122,345 6.143,346 3.79,347 2.865,348 3.55,349 0.8,350 9.054,351 2.649,352 3.641,353 2.717,354 5.546,355 3.369,356 2.435,357 3.012,358 0.172,359 7.271,360 2.281,361 3.423,362 2.262,363 5.231,364 3.089,365 2.112,366 2.566,368 6.271,369 2.055,370 3.166,371 1.959,372 4.749,373 2.768,374 1.816,375 2.434,377 4.947,378 1.727,379 3.056,380 1.783,381 4.44,382 2.629,383 1.665,384 2.202,386 4.471,387 1.602,388 2.83,389 1.39,390 3.621,391 2.349,392 1.354,393 1.984,395 2.936,396 1.346,397 2.5,398 1.26,399 3.57,400 2.137,401 1.172,402 1.5,404 2.728,405 1.129,406 2.496,407 1.146,408 3.475,409 1.967,410 1,411 1.495,413 2.275,414 0.965,415 2.159,416 1.027,417 3.414,418 1.958,419 1,420 1.047,422 2.136,423 0.955,424 2,425 1,426 3.247,427 1.785,428 0.807,429 1,431 2.084,432 0.788,433 1.267,434 0.19,435 2.869,436 1.004,437 0.046,438 0.055,440 0.117,441 0.044,442 0.881,443 -0.129,444 2.4,445 0.614,446 -0.356,447 -0.412,449 -0.84,450 -0.344,451 0.694,452 -0.491,453 2.286,454 0.271,455 -0.696,456 -0.871,458 -1.672,459 -0.669,460 0.519,461 -0.6,462 2,463 0.097,464 -0.875,465 -1,467 -2.067,468 -0.85,469 11.1,470 0.483,471 0.448,472 0.019,473 30,474 1.304,475 14.5,476 0.63,477 15.5,478 0.674,479 17.94,480 0.78,481 24.3,482 0.54,483 18.554,484 0.807,485 5.999,486 0.261,487 5.311,488 0.231,489 0.045,491 0.297,496 1.024,497 1.447,498 0.863,499 1.114,500 0.864,501 0.997,502 1.438,503 1.108,504 0.981,505 0.915,506 0.885,507 0.906,508 1.342,509 1.053,510 1.114,511 1.018,512 1.01,513 1.04,514 1.012,515 1.091,516 1.112,517 1.129,518 1.06,519 1.13,520 1.005,521 0.864,522 0.991,523 0.922,524 1.031,525 0.949,526 0.864,527 1.173,528 1.145,529 1.24,530 1.009,531 1.223,532 0.845,533 0.848,534 0.932,535 0.914,536 0.915,537 0.928,538 0.817,539 0.762,540 0.764,541 0.748,542 0.718,543 0.75,544 3.5,545 0.053,546 2.444,547 1.576,548 0.831,549 0.698,550 0.27,551 0.173,552 0.188,553 0.124,554 6339,555 13272,556 2.196,557 48.9,559 17,561 1,562 1,563 3,567 1.653,568 2.123,569 3.294,570 -0.369,571 1,572 1,574 1,575 60.315,576 1.34,577 3.275,578 4.177,579 4.792,580 4.897,581 4.897,582 2.707,583 4.176,584 4.497,585 3.449,586 872.56,587 7.717,588 9955.12,590 1,592 1,593 247.133,594 1.121,595 4.483,596 0.135,597 0.004,598 0.068,599 0.045,600 0.029,601 0.026,602 0.012,603 0.01,604 0.013,605 0.008,606 0.348,607 0.67,608 1,609 0.393,610 108.132,611 0.04,612 -0.253,613 0.085,614 -0.074,615 0.073,616 -0.005,617 -0.072,618 0.037,619 0.01,620 0.047,621 0.062,622 0.038,623 -0.138,624 0.018,625 -0.131,626 -0.053,627 -0.08,628 -0.085,629 -0.041,630 -0.109,631 -0.139,632 -0.151,633 -0.11,634 -0.154,635 -0.032,636 0.083,637 -0.007,638 0.046,639 -0.102,640 0.026,641 -0.059,642 -0.231,643 -0.185,644 -0.245,645 -0.188,646 -0.23,647 0.065,648 0.028,649 0.059,650 0.041,651 0.01,652 0.048,653 0.062,654 0.101,655 0.23,656 0.212,657 0.173,658 0.233,659 0.574,660 1.461,661 0.913,662 18.703,663 0.986,664 1.127,665 2.697,666 7.273,667 0.664,668 3.296,669 3.611,670 3.912,671 4.19,672 4.407,673 4.382,674 4.511,675 4.635,676 4.654,677 4.727,678 5.951,679 0.618,680 306.45,681 3.296,682 4.828,683 5.687,684 6.564,685 7.439,686 8.321,687 9.202,688 10.087,689 10.972,690 11.858,691 8.9,694 1,697 1,699 1,701 1,708 2,709 8,710 1,711 1,714 3,716 16,732 1,738 45,739 16,740 1,741 26,743 48,744 19,745 13,746 2,747 4,752 4,753 5,759 1,768 13,769 6,785 1,786 1,789 22,790 3,791 1,792 4,797 4,803 0.75,816 1,818 1,822 1,823 3,826 1,851 1,855 3,859 1,862 23,869 5,875 2,893 10.833,894 8.267,895 5.028,896 2.771,898 2.965,899 1.406,900 1.031,901 3.96,902 10.262,903 3.555,904 4.155,905 4.761,906 5.36,907 5.837,908 5.967,909 6.313,910 6.619,911 6.458,912 6.676,913 0.857,914 35,915 8.5,917 3.567,918 7.384,919 16.943,921 14.226,924 1.884,925 43.333,926 0.001,928 1,929 247.193,930 107.722,931 39.82,936 107.722,937 247.193,938 39.82,939 8.825,940 10.529,941 66.334,942 28.557,943 37.84,944 7.229,945 235.422,947 247.193,948 147.542,952 247.193,956 48.311,957 82.445,958 16.786,960 247.193,961 39.82,962 107.722,965 247.193,966 23.516,967 90.455,968 16.786,969 16.786,970 247.193,971 39.82,972 107.722,973 0.577,974 0.343,975 0.194,976 0.107,977 19,978 7,979 0.063,980 3,981 1,982 1.095,983 3.667,984 186.767,985 0.095,986 21,987 100.042,993 14.583,994 6.246,995 2.933,996 2.601,997 23.034,998 16.592,999 4.461,1000 3.504,1003 3.82,1005 16.786,1006 394.735,1007 34,1020 44.36,1021 50.73,1022 0.244,1023 0.596,1024 0.761,1025 0.872,1026 0.892,1027 0.892,1028 4.779,1029 1.172,1030 5.652,1031 2.936,1032 4.29,1033 4.84,1034 1.242,1035 6.457,1036 4.207,1037 5.964,1038 1,1039 7.2,1040 2.728,1041 3.761,1042 4.543,1043 0.57,1044 7.334,1045 3.622,1046 7.258,1047 1,1048 8.851,1049 2.275,1050 5.866,1051 7.047,1052 0.883,1053 10.461,1054 5.7,1055 8.591,1056 0.807,1057 10.566,1058 2.136,1059 6.217,1060 7.685,1061 0.581,1062 12.228,1063 6.006,1064 9.964,1065 0.046,1066 12.324,1067 2.084,1068 7.751,1069 9.619,1070 0.68,1071 14.848,1072 7.514,1073 11.366,1074 -0.356,1075 14.111,1076 0.117,1077 8.52,1078 10.72,1079 0.515,1080 16.976,1081 8.255,1082 12.791,1083 -0.696,1084 15.919,1085 -0.84,1086 9.814,1087 12.41,1088 0.541,1089 19.43,1090 9.525,1091 3.184,1092 -0.875,1093 17.744,1094 -1.672,1095 10.783,1096 13.737,1097 0.441,1098 21.707,1099 10.476,1100 2.865,1101 10.951,1102 19.581,1103 -2.067,1104 11.978,1105 15.323,1106 0.438,1107 24.108,1108 11.651,1109 2.435,1110 9.054,1111 21.428,1112 4.566,1113 13.039,1114 16.754,1115 0.373,1116 26.446,1117 12.699,1118 2.112,1119 7.271,1120 23.283,1121 3.55,1122 14.197,1123 18.297,1124 0.358,1125 28.832,1126 13.84,1127 1.816,1128 6.271,1129 25.145,1130 3.012,1131 15.301,1132 19.775,1133 0.314,1134 31.197,1135 14.932,1136 1.665,1137 4.947,1138 27.012,1139 2.566,1140 16.447,1141 21.301,1142 0.296,1143 33.581,1144 16.063,1145 1.354,1146 4.471,1147 28.884,1148 2.434,1149 17.572,1150 22.801,1151 0.264,1152 35.958,1153 17.176,1154 5870,1155 8576,1156 18.087,1157 29.875,1158 39.17,1159 38.907,1160 39.603,1161 38.945,1162 38.909,1163 50.82,1164 3.778,1165 110.481,1166 37.329,1167 5.617,1168 5.332,1169 6.528,1170 5.233,1171 5.184,1172 7.566,1173 1.605,1174 17.863,1175 5.124,1176 5.855,1177 1.507,1178 1.496,1179 1.523,1180 1.498,1181 1.497,1182 1.955,1183 0.145,1184 4.249,1185 1.436,1186 4.142,1187 4.178,1188 4.099,1189 4.057,1190 4.961,1191 4.063,1192 3.918,1193 3.975,1194 3.85,1195 3.773,1196 4.893,1197 3.785,1198 3.707,1199 3.77,1200 3.597,1201 3.546,1202 4.353,1203 3.549,1204 3.483,1205 3.54,1206 3.369,1207 3.37,1208 4.273,1209 3.363,1210 3.165,1211 3.255,1212 3.025,1213 2.955,1214 3.861,1215 2.957,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.81,1221 2.91,1222 2.949,1223 3.05,1224 2.79,1225 2.775,1226 3.692,1227 2.768,1228 2.902,1229 2.972,1230 2.702,1231 2.751,1232 3.608,1233 2.731,1234 0.178,1235 0.128,1236 0.259,1237 0.16,1238 0.122,1239 4.617,1240 0.176,1241 3.332,1242 0.035,1243 6.726,1244 0.421,1245 4.165,1246 0.12,1247 3.184,1248 4.566,1249 0.916,1250 10.951,1251 3.124,1252 1.942,1253 1.917,1254 2.048,1255 2.063,1256 1.323,1257 2.059,1258 1.862,1259 1.812,1260 2,1261 2.008,1262 1.162,1263 2.011,1264 1.721,1265 1.665,1266 1.888,1267 1.893,1268 0.973,1269 1.895,1270 1.589,1271 1.527,1272 1.795,1273 1.772,1274 0.904,1275 1.784,1276 1.16,1277 1.083,1278 1.513,1279 1.394,1280 0.825,1281 1.429,1282 1.153,1283 1.064,1284 1.458,1285 1.376,1286 0.64,1287 1.417,1288 0.961,1289 0.881,1290 1.248,1291 1.215,1292 0.325,1293 1.241,1294 0.904,1295 0.835,1296 1.155,1297 1.1,1298 0.288,1299 1.123,1300 3.97,1302 5.283,1303 2.398,1304 6.801,1305 4.844,1306 8.405,1307 7.018,1308 10.051,1310 2.18,1315 5.258,1321 4.917,1326 27.827,1327 60.315,1328 147.376,1329 187.972,1330 215.624,1331 220.379,1332 220.379,1333 23.213,1334 7.296,1335 35.16,1336 35.16,1337 23,1338 12.39,1339 4.087,1340 3.17,1341 32.045,1342 83,1343 77,1344 0.191,1345 170.137,1346 280.64,1347 406.894,1348 14641,1350 15.648,1351 0.68,1352 0.587,1353 15.648,1354 13.496,1355 11.31,1356 0.435,1357 0.318,1358 8.163,1359 10.973,1360 7.942,1361 6.569,1362 11.31,1363 8.256,1364 10,1365 0.278,1366 0.173,1367 10,1368 6.225,1369 8.737,1370 0.178,1371 0.097,1372 8.737,1373 4.754,1374 7.46,1375 0.115,1376 0.053,1377 7.46,1378 3.438,1379 6.222,1380 0.077,1381 0.031,1382 6.222,1383 2.508,1384 0.301,1385 69.908,1386 0.235,1387 22.723,1388 0.518,1389 124,1390 277.268,1391 132.326,1392 277.282,1393 396.53,1394 264,1395 147,1396 304.648,1397 156.548,1398 312.036,1399 457.27,1400 295,1401 4.076}
{0 CHEMBL1299439,1 1.538,2 5.75,3 3.536,4 12.5,5 70.693,6 9.34,7 0.647,8 3.481,9 3.611,10 3.258,11 3.065,12 4.52,13 3.01,14 4.002,15 4.212,16 3.664,17 3.423,18 4.971,19 3.341,20 4.18,21 4.406,22 3.745,23 3.557,24 5.091,25 3.454,26 4.184,27 4.394,28 3.678,29 3.556,30 5.135,31 3.436,32 4.29,33 4.543,34 3.775,35 3.534,36 5.172,37 3.375,38 4.209,39 4.496,40 3.49,41 3.408,42 4.975,43 3.161,44 3.921,45 4.223,46 3.067,47 3.05,48 4.652,49 2.698,50 3.179,51 3.492,52 1.629,53 2.246,54 3.773,55 1.764,56 0.012,57 0.445,58 4.515,59 2.63,60 4.977,61 3.577,62 0.142,63 0.703,64 12.01,65 4.431,66 12.832,67 5.987,68 0.132,69 0.8,70 23.032,71 5.788,72 13.182,73 7.512,74 0.146,75 0.819,76 17.033,77 5.507,78 15.602,79 7.326,80 0.21,81 0.832,82 21.724,83 6.074,84 21.363,85 8.633,86 0.12,87 0.706,88 20.235,89 6.743,90 18.173,91 9.005,92 0.151,93 0.469,94 35.484,95 6.115,96 17.769,97 7.208,98 0.086,99 0.183,100 30.492,101 3.743,102 8.926,103 3.984,104 15,105 23,106 0.296,107 0.612,108 0.738,109 0.769,110 0.769,111 0.769,112 2.855,113 1.095,114 -5.02,115 -4.92,116 -4.61,118 1,120 40,121 2,126 2,143 3,144 1,145 1,147 1,148 1,149 1,174 2,176 2,177 6,185 4,189 4,197 4,200 1,201 4,209 3,214 5,222 2,227 2,235 2,247 4,274 244,275 10.947,276 10.947,277 10.947,278 10.947,279 10.947,280 9.66,281 11.323,282 6.411,283 11.416,284 8.247,285 8.247,286 8.247,287 8.247,288 8.247,289 6.325,290 13.997,291 2.83,292 8.978,293 3.369,294 1.732,295 1.075,296 0.917,297 0.917,298 0.917,299 3.504,305 1,306 1,307 1,308 187,309 2.646,313 69.89,317 60.212,320 0.813,321 7.956,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 33.25,333 92,334 4.553,335 3.274,336 6.696,337 4.091,338 3.135,339 4.476,340 0.8,341 10.856,342 2.999,343 3.78,344 2.869,345 5.759,346 3.435,347 2.515,348 3.159,350 7.744,351 2.308,352 3.507,353 2.482,354 4.961,355 2.99,356 2.126,357 2.882,359 5.825,360 1.727,361 2.954,362 1.703,363 4.616,364 2.577,365 1.618,366 2.127,368 4.481,369 1.549,370 2.862,371 1.442,372 3.972,373 2.317,374 1.405,375 1.97,377 3.295,378 1.262,379 2.258,380 0.894,381 3.364,382 1.784,383 0.83,384 1.162,386 1.953,387 0.779,388 1.618,389 0.744,390 2.618,391 1.591,392 0.618,393 0.618,395 0.791,396 0.6,397 1.298,398 0.374,399 2.568,400 0.902,406 0.958,407 -0.143,408 2.407,409 0.519,410 -0.357,411 -0.422,413 -0.641,414 -0.26,415 0.73,416 -0.599,417 2.277,418 0.353,419 -0.618,420 -0.87,422 -1.491,423 -0.598,424 0.426,425 -0.729,426 1.925,427 -0.022,428 -0.931,429 -1.22,431 -2.516,432 -0.705,433 0.153,434 -1.042,435 1.53,436 -0.43,437 -1.197,438 -1.613,440 -3.173,441 -1.035,442 -0.255,443 -1.344,444 1.095,445 -0.691,446 -1.618,447 -1.618,449 -3.791,450 -1.5,451 -0.5,452 -1.521,453 0.733,454 -0.795,455 -1.648,456 -2.117,458 -4.603,459 -1.503,460 -0.5,461 -1.724,462 0.628,463 -0.948,464 -1.878,465 -2.533,467 -5.488,468 -1.739,469 8.533,470 0.533,471 0.328,472 0.021,473 20.75,474 1.297,475 10.5,476 0.656,477 10.25,478 0.641,479 12.991,480 0.812,481 16.667,482 0.556,483 10.556,484 0.66,485 3.709,486 0.232,487 4.048,488 0.253,489 0.273,491 0.281,496 0.784,497 1.51,498 0.485,499 0.898,500 0.794,501 0.945,502 0.99,503 0.917,504 0.547,505 0.641,506 0.696,507 0.729,508 1.203,509 1.027,510 0.926,511 0.825,512 0.759,513 0.78,514 1.203,515 1.128,516 0.752,517 0.932,518 1.192,519 1.046,520 0.775,521 1.066,522 0.599,523 0.961,524 1.049,525 1.039,526 0.739,527 0.929,528 0.649,529 0.872,530 0.977,531 1.036,532 1.257,533 0.792,534 2.04,535 1.445,536 1.392,537 1.26,538 1.355,539 0.807,540 3.794,541 2.362,542 1.403,543 1.607,544 3,546 2,547 1.125,548 0.947,549 0.493,550 0.322,551 0.056,554 1635,555 4594,556 1.993,557 46.7,559 7,561 1,564 6,567 1.56,568 1.846,569 2.625,570 -0.734,572 1,574 1,575 46.129,576 1.538,577 3.174,578 3.831,579 3.99,580 3.99,581 3.99,582 1.906,583 3.203,584 3.973,585 2.667,586 319.982,587 6.731,588 2759.53,589 1,590 1,591 1,592 1,593 147.207,594 1.477,595 3.918,596 0.176,598 0.087,599 0.045,600 0.043,601 0.027,602 0.029,603 0.014,606 0.422,607 0.83,608 1,609 1.328,610 62.688,611 0.022,612 -0.345,613 0.005,614 -0.098,615 -0.013,616 -0.053,617 0.103,618 0.193,619 0.051,620 0.173,621 0.207,622 0.159,623 -0.114,624 0.015,625 -0.025,626 0.101,627 0.131,628 0.153,629 -0.14,630 -0.046,631 -0.048,632 -0.083,633 -0.152,634 -0.149,635 0.138,636 -0.095,637 0.07,638 -0.101,639 -0.036,640 -0.104,641 -0.012,642 -0.06,643 0.07,644 0.04,645 -0.074,646 -0.051,647 -0.224,648 -0.004,649 -0.204,650 -0.164,651 -0.263,652 -0.175,653 -0.248,654 -0.186,655 -0.617,656 -0.602,657 -0.323,658 -0.35,659 0.68,660 1.384,661 0.625,662 7.844,663 0.995,664 1.128,665 3.79,666 14.36,667 0.698,668 2.89,669 3.178,670 3.466,671 3.714,672 3.932,673 3.871,674 3.829,675 3.738,676 3.611,677 3.091,678 3.795,679 0.642,680 280.19,681 2.89,682 4.394,683 5.242,684 6.116,685 6.987,686 7.869,687 8.748,688 9.631,689 10.511,690 11.395,691 10,697 1,701 2,708 2,709 4,710 2,714 2,716 11,732 1,737 1,738 30,739 11,740 1,741 17,742 1,743 31,744 12,745 8,746 3,747 3,752 2,753 3,759 2,768 8,769 4,785 1,786 1,789 14,790 3,792 4,793 1,797 3,803 0.5,817 1,823 2,827 1,855 1,858 1,859 2,862 16,869 2,875 1,885 1,893 8.667,894 6.076,895 3.75,896 2.088,898 2.373,899 1.398,900 0.967,901 3.519,902 8.339,903 3.157,904 3.773,905 4.419,906 5.053,907 5.663,908 5.897,909 6.207,910 6.495,911 6.756,912 6.25,913 0.75,914 25,915 5.875,917 2.336,918 7.526,919 11.439,921 8.926,924 2.026,925 32.417,926 0.004,929 164.795,930 69.009,931 82.649,936 114.963,937 164.795,938 36.695,939 17.65,940 4.211,941 28.429,942 45.342,943 19.515,944 2.328,945 153.024,946 45.954,947 164.795,948 105.705,951 45.954,952 94.169,953 70.627,956 32.625,957 39.509,958 33.571,959 45.954,960 164.795,961 36.695,962 114.963,965 164.795,966 14.312,967 57.822,968 45.954,969 33.571,970 164.795,971 36.695,972 114.963,973 0.564,974 0.354,975 0.2,976 0.11,977 11,978 5,979 0.097,980 3,981 1,982 1.2,983 2.727,984 107.695,985 0.2,986 10,987 60,993 11.497,994 4.897,995 2.258,996 2.084,997 36.695,998 7.711,999 8.659,1003 2.069,1006 316.454,1007 22.5,1020 29.836,1021 33.828,1022 0.313,1023 0.647,1024 0.781,1025 0.813,1026 0.813,1027 0.813,1028 4.353,1030 5.22,1031 0.791,1032 3.85,1033 4.454,1034 0.673,1035 6.043,1036 3.697,1037 5.561,1038 -0.357,1039 6.788,1041 3.434,1042 4.311,1043 0.325,1044 7.018,1045 3.154,1046 6.874,1047 -0.618,1048 8.46,1049 -0.641,1050 5.442,1051 6.743,1052 0.379,1053 10.121,1054 5.178,1055 8.23,1056 -0.931,1057 10.194,1058 -1.491,1059 5.861,1060 7.455,1061 0.268,1062 11.934,1063 5.516,1064 9.62,1065 -1.197,1066 11.968,1067 -2.516,1068 7.336,1069 9.36,1070 0.239,1071 14.569,1072 6.989,1073 11.035,1074 -1.618,1075 13.77,1076 -3.173,1077 8.145,1078 10.486,1079 0.188,1080 16.72,1081 7.744,1082 12.469,1083 -1.648,1084 15.592,1085 -3.791,1086 9.408,1087 12.165,1088 0.156,1089 19.195,1090 8.989,1091 3.135,1092 -1.878,1093 17.43,1094 -4.603,1095 10.397,1096 13.492,1097 0.125,1098 21.483,1099 9.935,1100 2.515,1101 10.856,1102 19.28,1103 -5.488,1104 11.578,1105 15.069,1106 0.102,1107 23.901,1108 11.088,1109 2.126,1110 7.744,1111 21.139,1112 4.476,1113 12.65,1114 16.49,1115 0.082,1116 26.245,1117 12.118,1118 1.618,1119 5.825,1120 23.005,1121 3.159,1122 13.8,1123 18.023,1124 0.066,1125 28.642,1126 13.236,1127 1.405,1128 4.481,1129 24.878,1130 2.882,1131 14.909,1132 19.487,1133 0.054,1134 31.009,1135 14.303,1136 0.83,1137 3.295,1138 26.755,1139 2.127,1140 16.05,1141 21.001,1142 0.043,1143 33.398,1144 15.407,1145 0.618,1146 1.953,1147 28.636,1148 1.97,1149 17.176,1150 22.484,1151 0.035,1152 35.775,1153 16.49,1154 1740,1155 3021,1156 11.038,1157 20.938,1158 24.533,1159 25.042,1160 26.269,1161 24.725,1162 24.492,1163 32.787,1164 1.6,1165 69.89,1166 22.45,1167 5.274,1168 5.274,1169 6.314,1170 5.165,1171 5.135,1172 7.476,1173 1.2,1174 17.978,1175 4.999,1176 7.921,1177 1.443,1178 1.473,1179 1.545,1180 1.454,1181 1.441,1182 1.929,1183 0.094,1184 4.111,1185 1.321,1186 4.062,1187 4.096,1188 6.88,1189 3.986,1190 5.063,1191 3.986,1192 3.648,1193 3.722,1194 3.991,1195 3.476,1196 4.482,1197 3.471,1198 3.359,1199 3.417,1200 3.487,1201 3.225,1202 4.268,1203 3.211,1204 3.306,1205 3.407,1206 3.172,1207 3.123,1208 3.919,1209 3.089,1210 2.975,1211 3.036,1212 3.04,1213 2.867,1214 3.892,1215 2.851,1216 2.648,1217 2.748,1218 2.842,1219 2.577,1220 3.545,1221 2.533,1222 2.589,1223 2.653,1224 2.387,1225 2.33,1226 3.434,1227 2.321,1228 2.233,1229 2.403,1230 2.336,1231 1.943,1232 3.057,1233 1.928,1234 0.268,1235 0.193,1236 0.394,1237 0.241,1238 0.184,1239 4.553,1240 0.263,1241 3.274,1242 0.047,1243 6.696,1244 0.639,1245 4.091,1246 0.176,1247 3.135,1248 4.476,1249 0.8,1250 10.856,1251 2.999,1252 2.008,1253 1.983,1254 2.057,1255 2.115,1256 1.221,1257 2.105,1258 1.625,1259 1.55,1260 1.88,1261 1.834,1262 1.064,1263 1.855,1264 1.351,1265 1.256,1266 1.725,1267 1.584,1268 0.869,1269 1.638,1270 1.298,1271 1.244,1272 1.417,1273 1.484,1274 0.436,1275 1.484,1276 0.964,1277 0.912,1278 1.176,1279 1.139,1280 0.229,1281 1.16,1282 0.636,1283 0.564,1284 1.068,1285 0.943,1286 0.183,1287 0.994,1288 0.577,1289 0.481,1290 0.9,1291 0.718,1292 0.058,1293 0.769,1294 0.308,1295 0.143,1296 0.764,1297 0.686,1299 0.755,1300 3.555,1302 4.844,1304 6.365,1306 7.993,1308 9.675,1309 3.485,1310 4.269,1315 1.907,1321 2.233,1326 19.25,1327 46.129,1328 95.233,1329 114.942,1330 119.697,1331 119.697,1332 119.697,1333 16.91,1334 5.966,1335 29.02,1336 29.02,1337 12,1338 11.929,1339 3.585,1340 2.7,1341 25.662,1342 36,1343 32,1344 0.376,1345 128.751,1346 208.72,1347 305.914,1348 2273,1349 3.3,1350 11.544,1351 0.721,1352 0.689,1353 12.544,1354 11.029,1355 7.758,1356 0.456,1357 0.365,1358 5.399,1359 6.937,1360 5.163,1361 4.327,1362 8.335,1363 6.204,1364 6.513,1365 0.283,1366 0.193,1367 7.33,1368 4.447,1369 5.627,1370 0.182,1371 0.101,1372 6.151,1373 3.133,1374 4.68,1375 0.117,1376 0.054,1377 5.118,1378 2.151,1379 3.768,1380 0.075,1381 0.028,1382 4.35,1383 1.407,1384 0.546,1385 56.4,1386 0.301,1387 15.652,1388 1.175,1389 80,1390 215.59,1391 151.838,1392 249.839,1393 337.9,1394 234,1395 94,1396 228.48,1397 128.759,1398 244.917,1399 359.08,1400 231,1401 4.861}
{0 CHEMBL1299526,1 2.022,2 10.28,3 1.853,4 3.432,5 92.001,6 10.465,7 0.231,8 3.754,9 3.84,10 3.576,11 3.236,12 5.112,13 3.271,14 4.236,15 4.362,16 3.974,17 3.588,18 5.702,19 3.622,20 4.426,21 4.531,22 4.26,23 3.735,24 5.96,25 3.766,26 4.519,27 4.66,28 4.059,29 3.671,30 6.057,31 3.692,32 4.498,33 4.677,34 3.845,35 3.57,36 5.99,37 3.578,38 4.447,39 4.604,40 3.726,41 3.413,42 5.967,43 3.426,44 4.181,45 4.371,46 3.647,47 3.331,48 5.547,49 3.322,50 4.15,51 4.316,52 3.64,53 3.319,54 5.769,55 3.314,56 0.307,57 0.538,58 2.888,59 2.876,60 23.965,61 2.8,62 0.676,63 0.771,64 9.883,65 4.773,66 78.285,67 4.842,68 0.855,69 0.881,70 15.356,71 5.563,72 87.85,73 4.844,74 1.063,75 0.895,76 15.642,77 6.387,78 112.153,79 6.456,80 1.01,81 0.841,82 19.289,83 6.633,84 129.065,85 7.192,86 1.289,87 0.715,88 19.952,89 5.654,90 174.49,91 4.57,92 0.74,93 0.628,94 15.854,95 4.813,96 79.106,97 5.504,98 0.778,99 0.585,100 13.409,101 4.708,102 122.746,103 4.984,104 69,105 37,106 0.364,107 0.74,108 0.853,109 0.872,110 0.872,111 0.872,112 3.267,113 0.87,114 -3.12,115 -3.12,116 -3,120 37.8,121 1,125 1,126 1,139 2,143 2,144 1,145 3,155 1,159 2,167 3,174 2,176 2,177 2,180 1,182 2,185 2,188 3,189 8,192 1,194 2,197 3,200 3,201 11,204 2,213 1,214 7,217 2,226 1,227 5,230 2,232 1,239 2,240 5,245 1,251 4,252 2,260 2,263 4,271 4,274 862,275 16.008,276 16.008,277 16.008,278 16.008,279 16.008,280 14.16,281 20.483,282 9.08,283 16.535,284 12.659,285 12.659,286 12.659,287 12.659,288 12.659,289 9.739,290 25.417,291 4.152,292 13.534,293 3.187,294 1.101,295 0.473,296 0.365,297 0.365,298 0.365,299 3.92,303 2,305 1,306 1,307 1,308 521,309 3.606,313 185.734,320 1.491,321 46.71,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 57.667,333 257,334 4.481,335 3.831,336 6.515,337 4.049,338 3.085,339 4.22,340 2.612,341 10.096,342 2.979,343 4.39,344 3.814,345 6.486,346 3.986,347 3.051,348 3.82,349 1.956,350 9.943,351 2.828,352 3.989,353 3.584,354 5.942,355 3.575,356 2.612,357 3.483,358 1.058,359 8.261,360 2.505,361 3.663,362 3.02,363 5.566,364 3.281,365 2.341,366 2.861,367 0.86,368 7.092,369 2.201,370 3.409,371 2.967,372 4.96,373 2.939,374 1.985,375 2.679,376 0.248,377 5.586,378 1.824,379 3.346,380 2.607,381 4.913,382 2.884,383 1.944,384 2.471,386 5.343,387 1.755,388 3.065,389 2.346,390 4.473,391 2.559,392 1.623,393 2.096,395 4.247,396 1.484,397 2.844,398 1.888,399 4.102,400 2.297,401 1.308,402 1.926,404 3.411,405 1.288,406 1.941,407 1.776,408 3.262,409 1.573,410 0.663,411 0.782,413 1.358,414 0.595,415 1.874,416 1.359,417 3.044,418 1.329,419 0.384,420 0.499,422 0.877,423 0.337,424 1.524,425 1.282,426 2.793,427 1.07,428 0.272,429 0.316,431 0.587,432 0.159,433 1.364,434 1,435 2.715,436 0.956,437 0.095,438 0.117,440 0.185,441 0.085,442 1,443 0.749,444 2.523,445 0.477,446 -0.478,447 -0.556,449 -1.163,450 -0.437,451 0.827,452 0.439,453 2.24,454 0.302,455 -0.677,456 -0.826,458 -1.712,459 -0.593,460 0.693,461 0.004,462 1.916,463 0.175,464 -0.826,465 -1.082,467 -2,468 -0.786,469 11.695,470 0.468,471 0.847,472 0.034,473 32.5,474 1.3,475 16,476 0.64,477 16.5,478 0.66,479 19.457,480 0.778,481 27.905,482 0.754,483 26.977,484 1.079,485 6.81,486 0.272,487 4.929,488 0.197,489 0.322,491 0.41,496 0.585,497 1.306,498 0.499,499 0.907,500 0.548,501 0.846,502 0.785,503 1.201,504 0.565,505 0.721,506 0.544,507 0.677,508 0.888,509 1.163,510 0.797,511 1.035,512 0.863,513 0.998,514 0.818,515 1.126,516 0.751,517 1.112,518 0.905,519 1.13,520 0.967,521 1.098,522 0.765,523 1.035,524 0.947,525 1.053,526 1.537,527 0.857,528 1.096,529 0.816,530 1.74,531 1.056,532 0.768,533 0.907,534 0.718,535 0.861,536 0.73,537 0.875,538 0.886,539 0.792,540 0.793,541 0.78,542 0.884,543 0.87,544 6.5,545 0.165,546 3.778,547 2.375,548 2.129,549 0.868,550 0.527,551 0.368,552 0.279,553 0.254,554 6354,555 31405,556 1.884,557 32.4,558 3,559 7,561 1,562 1,567 1.68,568 1.685,569 3.335,570 -0.119,571 1,572 1,575 74.818,576 2.022,577 4.108,578 4.736,579 4.844,580 4.844,581 4.844,582 2.744,583 4.324,584 4.619,585 3.493,586 1047.76,587 7.982,588 12819.7,589 1,590 1,592 1,593 192.75,594 1.569,595 4.517,596 0.25,597 0.01,598 0.102,599 0.058,600 0.059,601 0.028,602 0.022,603 0.015,604 0.012,605 0.013,606 0.569,607 0.33,608 1,609 1.003,610 120.963,611 0.058,612 -0.041,613 0.011,614 -0.024,615 -0.026,616 -0.032,617 0.008,618 -0.087,619 0.131,620 0.195,621 0.117,622 0.234,623 -0.02,624 -0.041,625 0.054,626 -0.106,627 -0.057,628 -0.147,629 0.102,630 -0.112,631 0.007,632 -0.197,633 0.014,634 -0.183,635 -0.053,636 -0.153,637 0.025,638 -0.11,639 0.037,640 -0.02,641 -0.348,642 0.026,643 -0.222,644 0.098,645 -0.385,646 -0.109,647 0.077,648 0.054,649 0.157,650 0.089,651 0.046,652 0.192,653 0.055,654 0.165,655 0.066,656 0.173,657 0.135,658 0.151,659 2.587,660 5.139,661 0.48,662 20.419,663 1.057,664 1.135,665 1.892,666 3.578,667 0.698,668 3.296,669 3.638,670 3.871,671 4.043,672 4.22,673 4.159,674 4.111,675 4.043,676 4.007,677 4.094,678 6.176,679 0.701,680 387.2,681 3.296,682 4.844,683 5.687,684 6.564,685 7.426,686 8.302,687 9.169,688 10.044,689 10.913,690 11.787,691 10.8,698 2,700 1,702 1,709 2,714 4,716 6,731 1,735 1,738 37,739 12,740 1,741 26,743 38,744 14,745 6,746 4,747 2,748 4,749 2,752 2,753 2,754 2,755 1,759 1,768 11,769 3,771 2,772 6,775 1,778 4,780 1,781 1,782 4,785 1,786 1,789 12,790 8,791 1,792 11,793 2,797 4,803 1,804 5,823 2,838 1,845 2,855 2,859 2,860 2,862 25,869 1,871 1,872 1,875 1,885 2,886 13.5,889 2,891 1,892 2,893 14.833,894 7.469,895 5.583,896 1.903,898 2.002,899 1.301,900 0.921,901 6.133,902 8.654,903 3.584,904 4.167,905 4.637,906 5.087,907 5.543,908 5.664,909 5.778,910 5.798,911 5.69,912 5.866,913 0.857,914 41,915 9.222,917 3.972,918 8.462,919 16.206,921 12.464,924 2.962,925 74.056,929 129.482,930 80.167,931 43.346,932 78.297,933 112.037,936 80.167,937 319.816,938 43.346,939 25.378,940 23.118,941 18.952,942 87.519,943 41.605,945 117.711,946 129.044,947 129.482,948 123.512,949 112.037,950 78.297,952 129.482,953 61.29,954 50.747,956 48.606,957 53.187,958 100.016,960 129.482,961 155.382,962 158.464,965 129.482,966 32.459,967 56.38,968 18.011,969 206.997,970 129.482,971 155.382,972 158.464,973 0.593,974 0.356,975 0.178,976 0.097,977 16,978 10,979 0.132,980 5,982 1,983 3.487,984 196.124,986 12,987 114.096,993 19.339,994 7.929,995 4.351,997 149.712,998 2.606,1003 0.534,1005 18.011,1006 443.329,1007 35,1010 -0.587,1013 45.959,1015 1.152,1016 3.727,1017 -1.536,1020 39.109,1021 42.004,1022 0.388,1023 0.789,1024 0.909,1025 0.93,1026 0.93,1027 0.93,1028 4.84,1029 1.308,1030 5.714,1031 4.247,1032 4.317,1033 4.852,1034 3.114,1035 6.544,1036 4.196,1037 6.081,1038 0.663,1039 7.307,1040 3.411,1041 4.111,1042 4.89,1043 2.675,1044 7.503,1045 3.924,1046 7.415,1047 0.384,1048 8.996,1049 1.358,1050 5.948,1051 7.04,1052 4.465,1053 10.569,1054 5.729,1055 8.781,1056 0.272,1057 10.735,1058 0.877,1059 6.479,1060 7.815,1061 4.72,1062 12.268,1063 6.188,1064 10.171,1065 0.095,1066 12.505,1067 0.587,1068 7.857,1069 9.514,1070 6.116,1071 14.879,1072 7.541,1073 11.58,1074 -0.478,1075 14.296,1076 0.185,1077 8.708,1078 10.616,1079 6.682,1080 16.897,1081 8.324,1082 13.002,1083 -0.677,1084 16.101,1085 -1.163,1086 9.919,1087 12.149,1088 7.889,1089 19.333,1090 9.504,1091 3.085,1092 -0.826,1093 17.917,1094 -1.712,1095 10.914,1096 13.406,1097 8.62,1098 21.498,1099 10.438,1100 3.051,1101 10.096,1102 19.742,1103 -2,1104 12.063,1105 14.872,1106 9.723,1107 23.859,1108 11.549,1109 2.612,1110 9.943,1111 21.575,1112 4.22,1113 13.123,1114 16.206,1115 10.55,1116 26.094,1117 12.553,1118 2.341,1119 8.261,1120 23.413,1121 3.82,1122 14.248,1123 17.644,1124 11.594,1125 28.423,1126 13.637,1127 1.985,1128 7.092,1129 25.255,1130 3.483,1131 15.339,1132 19.019,1133 12.475,1134 30.692,1135 14.675,1136 1.944,1137 5.586,1138 27.102,1139 2.861,1140 16.457,1141 20.446,1142 13.485,1143 33.006,1144 15.75,1145 1.623,1146 5.343,1147 28.952,1148 2.679,1149 17.562,1150 21.843,1151 14.399,1152 35.293,1153 16.805,1154 6549,1155 14711,1156 15.838,1157 25.818,1158 39.472,1159 42.544,1160 41.604,1161 38.663,1162 38.725,1163 50.539,1164 13.47,1165 113.972,1166 36.081,1167 5.4,1168 5.831,1169 6.036,1170 5.087,1171 5.085,1172 7.22,1173 4.612,1174 17.25,1175 4.979,1176 17.933,1177 1.518,1178 1.636,1179 1.6,1180 1.487,1181 1.489,1182 1.944,1183 0.518,1184 4.384,1185 1.388,1186 4.02,1187 4.043,1188 4.099,1189 3.89,1190 7.815,1191 3.905,1192 3.846,1193 3.876,1194 3.984,1195 3.692,1196 7.433,1197 3.707,1198 3.587,1199 3.615,1200 3.597,1201 3.299,1202 7.424,1203 3.34,1204 3.413,1205 3.44,1206 3.435,1207 3.127,1208 6.999,1209 3.165,1210 3.299,1211 3.356,1212 3.362,1213 2.975,1214 5.003,1215 3.024,1216 3.025,1217 3.119,1218 3.152,1219 2.812,1220 4.822,1221 2.794,1222 2.954,1223 2.97,1224 3.105,1225 2.71,1226 4.498,1227 2.743,1228 2.851,1229 2.907,1230 2.762,1231 2.542,1232 4.408,1233 2.596,1234 0.172,1235 0.147,1236 0.251,1237 0.156,1238 0.119,1239 4.481,1240 0.162,1241 3.831,1242 0.1,1243 6.515,1244 0.388,1245 4.049,1246 0.115,1247 3.085,1248 4.22,1249 2.612,1250 10.096,1251 2.979,1252 1.933,1253 1.913,1254 2.016,1255 2.1,1256 1.156,1257 2.061,1258 1.719,1259 1.696,1260 1.762,1261 1.932,1262 0.903,1263 1.89,1264 1.406,1265 1.376,1266 1.61,1267 1.742,1268 0.633,1269 1.658,1270 1.292,1271 1.237,1272 1.507,1273 1.569,1274 0.63,1275 1.56,1276 1.179,1277 1.124,1278 1.48,1279 1.544,1280 0.531,1281 1.537,1282 1.026,1283 0.941,1284 1.231,1285 1.283,1286 0.223,1287 1.314,1288 0.804,1289 0.782,1290 0.933,1291 1.093,1293 1.048,1294 0.67,1295 0.615,1296 0.902,1297 1.014,1299 0.994,1300 3.97,1302 5.303,1304 6.828,1306 8.443,1308 10.105,1310 2.869,1311 11.39,1315 -0.408,1317 2.544,1318 4.958,1321 0.849,1326 25.949,1327 74.818,1328 151.995,1329 175.24,1330 179.24,1331 179.24,1332 179.24,1333 82.613,1334 6.652,1335 119.04,1336 119.04,1337 12,1338 12.328,1339 3.7,1340 3.322,1341 51.76,1342 94,1343 81,1344 0.275,1345 170.681,1346 312.39,1347 408.223,1348 5902,1349 5.4,1350 18.723,1351 0.749,1352 0.584,1353 19.723,1354 14.59,1355 11.739,1356 0.452,1357 0.29,1358 6.672,1359 10.441,1360 6.425,1361 5.333,1362 12.317,1363 7.538,1364 10.894,1365 0.294,1366 0.154,1367 11.599,1368 5.699,1369 8.914,1370 0.19,1371 0.085,1372 9.952,1373 3.981,1374 6.637,1375 0.119,1376 0.04,1377 7.092,1378 2.268,1379 5.289,1380 0.079,1381 0.022,1382 5.61,1383 1.471,1384 0.432,1385 82.393,1386 0.251,1387 24.218,1388 0.753,1389 126,1390 558.353,1391 176.712,1392 580.179,1393 733.54,1394 530,1395 147,1396 473.976,1397 197.741,1398 488.175,1399 705.16,1400 452,1401 5.364}
{0 CHEMBL1299565,1 1.72,2 14.158,3 5.233,4 27.381,5 141.984,6 8.518,7 0.537,8 4.249,9 4.334,10 3.949,11 3.811,12 5.477,13 3.801,14 4.754,15 4.886,16 4.317,17 4.162,18 5.995,19 4.147,20 4.905,21 5.032,22 4.405,23 4.25,24 6.224,25 4.25,26 5.046,27 5.187,28 4.403,29 4.327,30 6.343,31 4.306,32 5.151,33 5.312,34 4.383,35 4.365,36 6.444,37 4.313,38 5.177,39 5.378,40 4.393,41 4.342,42 6.463,43 4.273,44 5.11,45 5.298,46 4.43,47 4.22,48 6.429,49 4.204,50 4.988,51 5.132,52 4.278,53 4.113,54 6.391,55 4.118,56 0.15,57 0.905,58 10.367,59 6.097,60 11.718,61 6.492,62 0.598,63 1.431,64 23.298,65 10.083,66 50.345,67 10.818,68 0.764,69 1.716,70 27.011,71 10.762,72 63.863,73 11.219,74 0.799,75 1.824,76 29.357,77 12.841,78 77.298,79 14.092,80 1.248,81 1.883,82 35.631,83 14.468,84 128.835,85 16.33,86 1.225,87 1.951,88 41.923,89 15.875,90 137.593,91 19.076,92 1.117,93 1.851,94 42.133,95 14.482,96 113.159,97 15.913,98 1.247,99 1.692,100 33.475,101 12.011,102 166.581,103 10.797,104 69,105 58,106 0.272,107 0.603,108 0.761,109 0.832,110 0.853,111 0.858,112 3.668,113 0.905,114 -3.63,115 -3.6,116 -3.43,120 44.4,121 2,125 2,126 1,143 9,144 2,145 5,152 1,153 3,158 1,159 2,174 5,176 1,177 11,180 1,182 2,185 7,188 2,189 11,194 3,197 5,200 1,201 8,204 3,206 1,209 9,213 4,214 5,217 1,222 13,226 5,227 5,235 6,239 2,240 13,243 1,245 1,247 4,251 1,252 10,257 1,260 3,263 2,264 7,267 1,269 1,271 4,274 2902,275 25.378,276 25.378,277 25.378,278 25.378,279 25.378,280 22.316,281 29.22,282 14.62,283 26.191,284 20.021,285 20.021,286 20.021,287 20.021,288 20.021,289 15.153,290 32.398,291 6.704,292 21.117,293 4.257,294 2.168,295 1.167,296 0.715,297 0.588,298 0.556,299 4.353,307 1,308 1145,309 4.416,312 236.999,313 288.879,320 2.008,321 57.623,324 0.75,325 0.67,326 0.67,327 0.5,328 0.5,329 0.83,330 1,331 0.7,332 84.5,333 538,334 4.627,335 3.751,336 6.912,337 4.227,338 3.265,339 4.369,340 1.797,341 11.507,342 3.152,343 4.469,344 3.636,345 6.548,346 4.087,347 3.114,348 4.145,349 1.338,350 10.364,351 3.027,352 4.148,353 3.552,354 6.092,355 3.734,356 2.784,357 3.694,358 1.058,359 8.664,360 2.636,361 4.027,362 3.253,363 6.047,364 3.652,365 2.668,366 3.584,367 0.86,368 8.638,369 2.618,370 3.908,371 3.179,372 5.984,373 3.531,374 2.579,375 3.293,376 0.86,377 8.381,378 2.432,379 3.714,380 2.879,381 5.21,382 3.304,383 2.345,384 3.064,386 6.365,387 2.238,388 3.408,389 2.489,390 5.106,391 3,392 2.059,393 2.65,395 5.976,396 1.921,397 3.251,398 2.28,399 4.856,400 2.841,401 1.874,402 2.495,404 5.325,405 1.794,406 3.114,407 2.198,408 4.817,409 2.684,410 1.707,411 2.293,413 4.767,414 1.663,415 3.025,416 2.189,417 4.437,418 2.601,419 1.643,420 2.162,422 4.217,423 1.558,424 2.888,425 2.072,426 4.256,427 2.471,428 1.534,429 1.966,431 3.939,432 1.414,433 2.5,434 1.717,435 4.091,436 2.031,437 1.079,438 1.5,440 3.027,441 1.019,442 2.478,443 1.331,444 3.581,445 2,446 1,447 1.431,449 2.275,450 1,451 2.292,452 1.307,453 3.414,454 1.802,455 0.866,456 1.159,458 2.096,459 0.795,460 2.118,461 1.038,462 3.185,463 1.646,464 0.71,465 0.927,467 1.583,468 0.649,469 17.919,470 0.472,471 1.031,472 0.027,473 50.25,474 1.322,475 26,476 0.684,477 24.25,478 0.638,479 34.588,480 0.91,481 40.881,482 0.649,483 46.304,484 1.219,485 10.463,486 0.275,487 7.764,488 0.204,489 0.183,491 0.385,494 1,496 0.703,497 1.104,498 0.683,499 1.011,500 0.559,501 0.91,502 0.907,503 0.972,504 0.787,505 0.844,506 0.61,507 0.757,508 1.052,509 1.132,510 0.985,511 1.062,512 0.998,513 0.974,514 1.02,515 1.058,516 0.935,517 1.083,518 1.069,519 1.119,520 0.97,521 0.789,522 0.941,523 0.933,524 0.963,525 1.079,526 0.73,527 0.848,528 0.81,529 0.915,530 0.761,531 0.937,532 1.156,533 0.943,534 0.828,535 0.939,536 1.182,537 0.818,538 1.954,539 1.031,540 1.181,541 0.875,542 2.148,543 0.94,544 8,545 0.334,546 5.333,547 3.444,548 2.817,549 1.681,550 1.178,551 0.693,552 0.556,553 0.435,554 22351,555 73684,556 2.007,557 39.7,559 17,560 1,562 1,563 6,567 1.79,568 1.839,569 3.763,570 -0.348,575 108.357,576 1.72,577 3.81,578 4.81,579 5.263,580 5.39,581 5.421,582 3.199,583 4.774,584 5.221,585 3.944,586 2772.32,587 9.208,588 46602.7,593 376.569,594 1.529,595 5.155,596 0.195,597 0.008,598 0.092,599 0.056,600 0.045,601 0.029,602 0.021,603 0.012,604 0.011,605 0.009,606 0.478,607 0.33,608 0.88,609 0.835,610 211.51,611 -0.044,612 -0.104,613 0.052,614 -0.037,615 -0.056,616 -0.004,617 -0.019,618 -0.002,619 0.121,620 0.147,621 0.035,622 0.177,623 -0.063,624 -0.051,625 -0.109,626 -0.113,627 -0.052,628 -0.086,629 -0.057,630 -0.109,631 -0.14,632 -0.19,633 -0.086,634 -0.205,635 0.027,636 0.027,637 -0.1,638 -0.039,639 -0.021,640 -0.134,641 0.169,642 -0.017,643 0.155,644 0.038,645 0.142,646 0.079,647 -0.007,648 -0.033,649 0.221,650 0.041,652 0.169,653 -0.368,654 0.082,655 -0.2,656 0.064,657 -0.371,658 -0.055,659 2.492,660 6.087,661 0.579,662 44.125,663 1.022,664 1.119,665 2.404,666 5.778,667 0.69,668 3.738,669 4.078,670 4.369,671 4.615,672 4.771,673 4.86,674 4.934,675 4.942,676 5.004,677 5.05,678 8.297,679 0.67,680 536.62,681 3.738,682 5.293,683 6.155,684 7.041,685 7.92,686 8.812,687 9.697,688 10.591,689 11.48,690 12.375,691 3.2,698 1,699 1,709 10,713 1,714 10,715 1,716 22,721 1,723 1,726 1,735 2,737 1,738 63,739 25,740 2,741 41,743 66,744 28,745 20,746 6,747 6,748 3,752 4,753 4,759 2,768 23,769 5,772 3,778 3,782 3,787 1,789 25,790 8,791 1,792 10,793 1,797 2,803 1,804 6,818 1,822 2,823 2,855 4,857 1,859 4,861 1,862 38,869 1,871 1,872 3,880 1,885 1,886 9.5,889 3,891 3,893 20.667,894 12.843,895 8.5,896 3.436,898 3.674,899 1.462,900 0.97,901 8.647,902 11.624,903 4.025,904 4.64,905 5.232,906 5.785,907 6.189,908 6.464,909 6.726,910 6.943,911 7.21,912 7.447,913 1,914 62,915 14.155,917 6.098,918 8.053,919 25.955,921 20.657,924 2.553,925 97,929 282.506,930 223.616,931 19.91,933 108.434,934 14.96,935 31.278,936 192.338,937 390.941,938 34.87,939 39.417,940 22.603,941 92.935,942 92.464,943 66.391,944 33.603,945 302.013,947 282.506,948 212.248,949 123.395,950 31.278,952 297.467,953 108.434,956 42.153,957 170.095,959 31.278,960 297.467,961 128.344,962 223.616,965 282.506,966 91.264,967 134.251,968 18.011,969 123.395,970 282.506,971 143.304,972 223.616,973 0.585,974 0.358,975 0.192,976 0.099,977 26,978 14,979 0.152,980 10,982 1,983 4.64,984 368.693,986 22,987 195.421,989 1,993 27.551,994 11.926,995 6.002,997 141.405,998 15.608,1002 1.248,1003 3.258,1004 1.82,1005 18.011,1006 649.427,1007 55,1013 38.778,1017 -1.65,1020 64.36,1021 70.495,1022 0.288,1023 0.637,1024 0.805,1025 0.88,1026 0.902,1027 0.907,1028 5.27,1029 1.874,1030 6.159,1031 5.976,1032 4.762,1033 5.328,1034 2.787,1035 7,1036 4.671,1037 6.499,1038 1.707,1039 7.746,1040 5.325,1041 4.443,1042 5.223,1044 7.978,1045 4.336,1046 7.823,1047 1.643,1048 9.433,1049 4.767,1050 6.392,1051 7.542,1052 3.496,1053 11.085,1054 6.229,1055 9.184,1056 1.534,1057 11.176,1058 4.217,1059 6.889,1060 8.255,1062 12.883,1063 6.702,1064 10.575,1065 1.079,1066 12.956,1067 3.939,1068 8.316,1069 10.047,1070 4.435,1071 15.52,1072 8.091,1073 11.989,1074 1,1075 14.761,1076 3.027,1077 9.17,1078 11.131,1080 17.66,1081 8.915,1082 13.419,1083 0.866,1084 16.584,1085 2.275,1086 10.41,1087 12.718,1088 5.496,1089 20.141,1090 10.123,1091 3.265,1092 0.71,1093 18.422,1094 2.096,1095 11.426,1096 13.982,1098 22.432,1099 11.106,1100 3.114,1101 11.507,1102 20.271,1103 1.583,1104 12.6,1105 15.484,1106 6.614,1107 24.863,1108 12.25,1109 2.784,1110 10.364,1111 22.13,1112 4.369,1113 13.688,1114 16.838,1116 27.222,1117 13.306,1118 2.668,1119 8.664,1120 23.996,1121 4.145,1122 14.842,1123 18.306,1124 7.76,1125 29.64,1126 14.43,1127 2.579,1128 8.638,1129 25.869,1130 3.694,1131 15.966,1132 19.706,1134 32.033,1135 15.521,1136 2.345,1137 8.381,1138 27.748,1139 3.584,1140 17.117,1141 21.161,1142 8.918,1143 34.451,1144 16.641,1145 2.059,1146 6.365,1147 29.631,1148 3.293,1149 18.259,1150 22.587,1152 36.861,1153 17.749,1154 21523,1155 39275,1156 26.471,1157 43.46,1158 62.02,1159 64.746,1160 64.831,1161 60.932,1162 61.074,1163 80.876,1164 11.827,1165 179.387,1166 58.072,1167 5.545,1168 5.751,1169 6.509,1170 5.315,1171 5.265,1172 7.369,1173 3.595,1174 18.869,1175 5.152,1176 23.7,1177 1.513,1178 1.579,1179 1.581,1180 1.486,1181 1.49,1182 1.973,1183 0.288,1184 4.375,1185 1.416,1186 4.087,1187 4.12,1188 4.228,1189 3.98,1190 8.201,1191 3.99,1192 3.973,1193 3.985,1194 4.046,1195 3.92,1196 7.437,1197 3.892,1198 3.842,1199 3.843,1200 3.917,1201 3.833,1202 7.428,1203 3.794,1204 3.795,1205 3.821,1206 3.744,1207 3.714,1208 7.423,1209 3.716,1210 3.501,1211 3.512,1212 3.438,1213 3.251,1214 4.922,1215 3.289,1216 3.346,1217 3.388,1218 3.29,1219 3.092,1220 4.806,1221 3.126,1222 3.26,1223 3.318,1224 3.179,1225 3.023,1226 4.637,1227 3.035,1228 3.207,1229 3.287,1230 3.034,1231 2.98,1232 4.496,1233 2.975,1234 0.113,1235 0.091,1236 0.169,1237 0.103,1238 0.08,1239 4.627,1240 0.107,1241 3.751,1242 0.044,1243 6.912,1244 0.281,1245 4.227,1246 0.077,1247 3.265,1248 4.369,1249 1.797,1250 11.507,1251 3.152,1252 1.91,1253 1.889,1254 2.005,1255 2.029,1256 1.117,1257 2.022,1258 1.898,1259 1.879,1260 1.96,1261 2.021,1262 1.097,1263 2,1264 1.68,1265 1.663,1266 1.818,1267 1.822,1268 0.963,1269 1.813,1270 1.539,1271 1.525,1272 1.747,1273 1.716,1274 0.846,1275 1.727,1276 1.538,1277 1.482,1278 1.673,1279 1.686,1280 0.728,1281 1.673,1282 1.389,1283 1.382,1284 1.582,1285 1.585,1286 0.681,1287 1.579,1288 1.304,1289 1.278,1290 1.575,1291 1.526,1292 0.599,1293 1.544,1294 1.195,1295 1.136,1296 1.541,1297 1.507,1298 0.575,1299 1.529,1300 4.419,1302 5.753,1303 3.045,1304 7.272,1305 5.352,1306 8.877,1307 7.413,1308 10.53,1310 6.433,1312 13.363,1315 -0.529,1317 2.701,1318 15.969,1326 42.224,1327 108.357,1328 240.007,1329 303.02,1330 331.549,1331 339.549,1332 341.549,1333 105.288,1334 7.95,1335 95.86,1336 124.1,1337 22,1338 12.902,1339 4.7,1340 3.907,1341 67.522,1342 190,1343 205,1344 0.17,1345 261.621,1346 464.92,1347 630.116,1348 34280,1349 1.6,1350 27.397,1351 0.721,1352 0.578,1353 26.88,1354 21.98,1355 18.227,1356 0.445,1357 0.302,1358 11.346,1359 16.832,1360 10.879,1361 9.063,1362 18.287,1363 12.372,1364 16.355,1365 0.282,1366 0.159,1367 16.316,1368 9.228,1369 14.108,1370 0.181,1371 0.087,1372 14.413,1373 6.756,1374 11.529,1375 0.115,1376 0.047,1377 11.987,1378 4.681,1379 8.588,1380 0.073,1381 0.023,1382 8.632,1383 2.681,1384 0.269,1385 120.547,1386 0.194,1387 34.5,1388 0.457,1389 198,1390 745.363,1391 245.19,1392 694.71,1393 923.02,1394 648,1395 235,1396 639.667,1397 278.447,1398 653.905,1399 955.51,1400 610,1401 5.312}
{0 CHEMBL1300136,1 1.591,2 15.265,3 4.51,4 20.336,5 134.562,6 7.479,7 0.41,8 4.274,9 4.386,10 3.899,11 3.826,12 5.242,13 3.788,14 4.883,15 5.061,16 4.316,17 4.261,18 5.82,19 4.204,20 5.122,21 5.337,22 4.311,23 4.426,24 5.995,25 4.309,26 5.229,27 5.477,28 4.211,29 4.405,30 6.086,31 4.248,32 5.089,33 5.342,34 4.114,35 4.27,36 5.943,37 4.129,38 4.925,39 5.131,40 4.078,41 4.242,42 5.811,43 4.106,44 5.01,45 5.253,46 3.986,47 4.21,48 5.819,49 4.051,50 4.839,51 5.055,52 3.869,53 4.026,54 5.736,55 3.909,56 0.004,57 0.965,58 14.224,59 6.306,60 5.877,61 8.056,62 0.463,63 1.68,64 30.714,65 10.334,66 27.641,67 13.855,68 0.277,69 2.036,70 39.612,71 14.837,72 31.229,73 19.74,74 0.452,75 2.127,76 50.445,77 17.143,78 53.673,79 22.256,80 0.585,81 1.861,82 45.374,83 14.37,84 50.432,85 19.061,86 0.257,87 1.651,88 32.021,89 12.915,90 31.097,91 17.14,92 0.429,93 1.722,94 42.136,95 14.261,96 37.351,97 18.231,98 0.36,99 1.441,100 32.903,101 10.918,102 31.296,103 14.21,104 5,105 56,106 0.253,107 0.545,108 0.738,109 0.828,110 0.833,111 0.833,112 3.56,113 1,114 -4.65,115 -4.57,116 -4.3,120 40.6,121 1,122 2,123 1,126 7,127 1,143 6,144 2,145 2,147 1,153 1,159 1,163 1,174 9,176 3,177 10,185 8,188 1,189 13,197 4,201 11,209 3,213 2,214 7,222 1,226 3,227 5,235 5,239 2,240 3,247 7,251 1,252 3,260 8,263 2,264 5,271 8,274 2188,275 23.427,276 23.427,277 23.427,278 23.427,279 23.427,280 21.551,281 30.554,282 13.579,283 24.111,284 19.275,285 19.275,286 19.275,287 19.275,288 19.275,289 16.208,290 41.825,291 6.51,292 20.415,293 4.409,294 2.571,295 1.364,296 0.793,297 0.762,298 0.762,299 4.282,307 1,308 1183,309 3.082,312 177.912,313 424.076,316 310.95,320 2.633,321 26.534,324 1,325 0.67,326 1,327 0.8,328 0.5,329 1,330 1,331 0.85,332 73,333 519,334 4.531,335 3.698,336 6.464,337 4.055,338 3.115,339 4.455,340 1.392,341 10.095,342 2.971,343 4.292,344 3.32,345 6.314,346 3.907,347 2.956,348 3.926,349 1.2,350 9.537,351 2.811,352 4.162,353 3.195,354 6.196,355 3.853,356 2.916,357 3.555,358 0.916,359 9.27,360 2.69,361 3.789,362 2.97,363 5.907,364 3.584,365 2.64,366 2.998,367 0.8,368 8.249,369 2.501,370 3.685,371 2.765,372 5.549,373 3.471,374 2.522,375 2.93,376 0.532,377 7.552,378 2.384,379 3.403,380 2.458,381 5.21,382 3.208,383 2.243,384 2.526,385 0.293,386 6.356,387 2.141,388 3.29,389 2.274,390 5.028,391 3.086,392 2.118,393 2.357,394 0.172,395 6.021,396 2.036,397 3.068,398 2.116,399 4.934,400 2.796,401 1.854,402 2.277,404 5.648,405 1.74,406 3.017,407 1.991,408 4.423,409 2.477,410 1.534,411 2.137,413 4.32,414 1.438,415 2.886,416 1.862,417 4.362,418 2.453,419 1.531,420 2.023,422 4.205,423 1.394,424 2.512,425 1.719,426 4.24,427 2.182,428 1.272,429 1.505,431 3.682,432 1.146,433 2.356,434 1.538,435 3.713,436 2.098,437 1.105,438 1.224,440 2.477,441 1.094,442 2.197,443 1.346,444 3.448,445 1.984,446 1,447 1.159,449 2.277,450 0.983,451 2,452 1.146,453 3.414,454 1.967,455 1,456 1,458 2.275,459 0.965,460 2,461 1.077,462 3.414,463 1.91,464 0.898,465 1,467 2.275,468 0.894,469 16.433,470 0.483,471 0.811,472 0.024,473 40.5,474 1.191,475 17,476 0.5,477 23.5,478 0.691,479 34.118,480 1.003,481 36.967,482 0.578,483 28.345,484 0.834,485 7.39,486 0.217,487 9.229,488 0.271,489 0.051,491 0.347,496 0.8,497 1.429,498 0.748,499 1.089,500 0.578,501 0.994,502 1.047,503 1.006,504 0.863,505 0.849,506 0.624,507 0.85,508 0.831,509 1.102,510 0.956,511 1.042,512 0.706,513 1.061,514 1.037,515 1.043,516 1.147,517 1.072,518 1.437,519 1.016,520 0.957,521 0.898,522 1.105,523 0.975,524 1.354,525 0.894,526 0.586,527 1.201,528 0.976,529 1.182,530 0.698,531 1.208,532 0.933,533 0.995,534 1.288,535 1.164,536 0.952,537 1.039,538 1.246,539 1.198,540 1.225,541 1.212,542 1.123,543 1.141,544 7,545 0.157,546 4,547 2.111,548 1.751,549 0.962,550 0.7,551 0.563,552 0.336,553 0.225,554 21233,555 48367,556 2.216,557 46.9,558 4,559 20,560 2,564 4,567 1.753,568 2.125,569 3.88,570 -0.758,575 101.827,576 1.591,577 3.429,578 4.636,579 5.207,580 5.238,581 5.238,582 3.388,583 4.631,584 5.056,585 4.065,586 2280.39,587 8.829,588 36523.9,593 384,594 1.221,595 5.041,596 0.179,597 0.005,598 0.071,599 0.039,600 0.038,601 0.022,602 0.017,603 0.015,604 0.01,605 0.007,606 0.404,607 0.17,608 0.75,609 0.39,610 186.085,611 0.002,612 -0.257,613 0.098,614 -0.067,615 0.012,616 -0.01,617 0.047,618 0.125,619 0.084,620 0.117,621 0.079,622 0.09,623 -0.039,624 -0.056,625 -0.02,626 -0.057,627 0.065,628 -0.074,629 -0.091,630 -0.061,631 -0.042,632 -0.022,633 -0.091,634 -0.016,635 -0.004,636 0.1,637 0.014,638 0.07,639 -0.087,640 0.099,641 0.113,642 -0.185,643 -0.061,644 -0.173,645 0.039,646 -0.197,647 -0.024,648 0.005,649 -0.113,650 -0.06,651 -0.064,652 -0.027,653 -0.09,654 -0.197,655 -0.179,656 -0.198,657 -0.049,658 -0.168,659 1.55,660 6.232,661 0.882,662 45.1,663 0.999,664 1.124,665 3.424,666 11.722,667 0.671,668 3.689,669 4.043,670 4.344,671 4.615,672 4.852,673 4.963,674 5.13,675 5.308,676 5.375,677 5.493,678 8.759,679 0.629,680 478.67,681 3.689,682 5.252,683 6.12,684 7.006,685 7.885,686 8.772,687 9.656,688 10.545,689 11.43,690 12.32,691 6.3,694 1,697 1,698 1,701 1,708 2,709 6,710 1,713 1,714 5,716 16,724 1,732 1,735 2,738 64,739 17,740 2,741 39,743 69,744 26,745 13,746 6,747 6,748 1,752 6,753 8,759 1,763 2,764 1,766 2,768 14,769 12,770 1,772 1,778 1,782 1,789 30,790 7,792 8,793 1,797 4,803 0.667,804 3,822 2,823 4,826 2,851 1,855 4,857 1,859 1,862 34,869 10,872 2,874 1,875 3,879 1,886 4.7,889 1,891 2,893 16,894 11.8,895 7.222,896 4.143,898 3.076,899 1.348,900 1.016,901 6.287,902 11.914,903 3.892,904 4.474,905 5.054,906 5.62,907 6.136,908 6.476,909 6.869,910 7.243,911 7.315,912 7.52,913 1,914 54,915 12.673,917 5.525,918 7.515,919 25.062,921 21.677,924 2.015,925 68.5,929 353.133,930 148.373,931 26.158,933 47.145,935 31.278,936 117.095,937 400.278,938 26.158,939 8.825,940 29.584,941 56.857,942 46.635,943 47.751,944 24.288,945 360.869,947 353.133,948 143.254,949 47.145,950 31.278,952 306.049,953 94.229,956 44.178,957 82.29,958 16.786,959 31.278,960 353.133,961 73.303,962 148.373,965 353.133,966 82.69,967 75.056,969 63.93,970 353.133,971 73.303,972 148.373,973 0.591,974 0.347,975 0.184,976 0.099,977 30,978 12,979 0.058,980 4,981 2,982 1.133,983 4.732,984 325.181,985 0.133,986 30,987 164.974,989 1,993 22.414,994 9.537,995 4.748,996 2.088,997 73.303,998 12.099,999 4.842,1002 1.71,1003 4.693,1006 574.809,1007 48,1013 13.232,1017 0.117,1020 63.952,1021 71.939,1022 0.265,1023 0.571,1024 0.773,1025 0.868,1026 0.873,1027 0.873,1028 5.165,1029 1.854,1030 6.107,1031 6.021,1032 4.727,1033 5.162,1034 2.378,1035 6.917,1036 4.618,1037 6.347,1038 1.534,1039 7.663,1040 5.648,1041 4.29,1042 4.977,1043 0.766,1044 7.763,1045 4.114,1046 7.649,1047 1.531,1048 9.313,1049 4.32,1050 6.33,1051 7.321,1052 2.611,1053 10.849,1054 6.111,1055 8.983,1056 1.272,1057 11.017,1058 4.205,1059 6.711,1060 7.996,1061 0.997,1062 12.503,1063 6.419,1064 10.351,1065 1.105,1066 12.755,1067 3.682,1068 8.197,1069 9.825,1070 3.056,1071 15.081,1072 7.869,1073 11.742,1074 1,1075 14.516,1076 2.477,1077 8.951,1078 10.902,1079 1.222,1080 17.075,1081 8.551,1082 13.151,1083 1,1084 16.295,1085 2.277,1086 10.211,1087 12.525,1088 3.588,1089 19.468,1090 9.773,1091 3.115,1092 0.898,1093 18.086,1094 2.275,1095 11.145,1096 13.802,1097 1.502,1098 21.613,1099 10.64,1100 2.956,1101 10.095,1102 19.887,1103 2.275,1104 12.309,1105 15.337,1106 4.168,1107 23.935,1108 11.763,1109 2.916,1110 9.537,1111 21.695,1112 4.455,1113 13.33,1114 16.714,1115 1.829,1116 26.15,1117 12.722,1118 2.64,1119 9.27,1120 23.51,1121 3.926,1122 14.455,1123 18.212,1124 4.776,1125 28.445,1126 13.803,1127 2.522,1128 8.249,1129 25.329,1130 3.555,1131 15.518,1132 19.639,1133 2.186,1134 30.694,1135 14.81,1136 2.243,1137 7.552,1138 27.153,1139 2.998,1140 16.629,1141 21.124,1142 5.402,1143 32.98,1144 15.875,1145 2.118,1146 6.356,1147 28.98,1148 2.93,1149 17.714,1150 22.578,1151 2.559,1152 35.247,1153 16.907,1154 18978,1155 28874,1156 27.046,1157 42.932,1158 59.718,1159 60.96,1160 60.075,1161 59.174,1162 59.141,1163 72.414,1164 10.609,1165 172.84,1166 55.959,1167 5.531,1168 5.698,1169 5.976,1170 5.188,1171 5.115,1172 7.455,1173 2.783,1174 16.946,1175 4.971,1176 11.309,1177 1.531,1178 1.563,1179 1.54,1180 1.517,1181 1.516,1182 1.857,1183 0.272,1184 4.432,1185 1.435,1186 4.091,1187 4.113,1188 4.328,1189 4.062,1190 7.428,1191 4.024,1192 3.974,1193 3.996,1194 3.93,1195 3.874,1196 5.008,1197 3.881,1198 3.845,1199 3.902,1200 3.759,1201 3.712,1202 4.949,1203 3.704,1204 3.789,1205 3.843,1206 3.692,1207 3.606,1208 4.412,1209 3.615,1210 3.461,1211 3.494,1212 3.505,1213 3.347,1214 4.359,1215 3.32,1216 3.338,1217 3.384,1218 3.261,1219 3.122,1220 4.246,1221 3.142,1222 3.195,1223 3.26,1224 3.079,1225 2.975,1226 4.144,1227 2.98,1228 3.111,1229 3.206,1230 2.994,1231 2.941,1232 3.975,1233 2.91,1234 0.116,1235 0.095,1236 0.166,1237 0.104,1238 0.08,1239 4.531,1240 0.114,1241 3.698,1242 0.036,1243 6.464,1244 0.259,1245 4.055,1246 0.076,1247 3.115,1248 4.455,1249 1.392,1250 10.095,1251 2.971,1252 1.933,1253 1.916,1254 2.066,1255 2.063,1256 1.429,1257 2.058,1258 1.892,1259 1.87,1260 2.036,1261 2.021,1262 1.318,1263 2.04,1264 1.852,1265 1.793,1266 1.974,1267 1.975,1268 1.137,1269 1.981,1270 1.714,1271 1.652,1272 1.887,1273 1.881,1274 1.09,1275 1.888,1276 1.354,1277 1.311,1278 1.589,1279 1.554,1280 0.825,1281 1.577,1282 1.218,1283 1.18,1284 1.513,1285 1.522,1286 0.825,1287 1.49,1288 1.153,1289 1.119,1290 1.513,1291 1.449,1292 0.785,1293 1.429,1294 1.153,1295 1.064,1296 1.448,1297 1.376,1298 0.639,1299 1.429,1300 4.369,1302 5.714,1303 3.045,1304 7.244,1305 5.352,1306 8.852,1307 7.413,1308 10.501,1310 2.324,1315 8.937,1318 10.9,1320 0.798,1321 6.76,1326 40.265,1327 101.827,1328 219.432,1329 296.716,1330 333.245,1331 335.245,1332 335.245,1333 48.347,1334 8.838,1335 58.14,1336 86.38,1337 34,1338 12.85,1339 4.17,1340 3.322,1341 45.536,1342 179,1343 176,1344 0.121,1345 242.689,1346 419.26,1347 583.92,1348 107625,1350 23.07,1351 0.679,1352 0.599,1353 23.424,1354 20.351,1355 16.619,1356 0.426,1357 0.333,1358 12.066,1359 15.516,1360 11.728,1361 9.621,1362 17.028,1363 12.996,1364 15.35,1365 0.274,1366 0.19,1367 15.993,1368 10.614,1369 13.562,1370 0.178,1371 0.109,1372 14.365,1373 8.26,1374 11.276,1375 0.113,1376 0.06,1377 12.198,1378 6.026,1379 9.205,1380 0.072,1381 0.035,1382 10.035,1383 4.455,1384 0.197,1385 108.363,1386 0.192,1387 32.212,1388 0.311,1389 190,1390 508.647,1391 235.277,1392 502.702,1393 700.03,1394 476,1395 227,1396 506.852,1397 271.12,1398 526.75,1399 784.87,1400 495,1401 4.781}
{0 CHEMBL1300237,1 1.814,2 7.833,3 1.982,4 3.93,5 67.36,6 8.811,7 0.3,8 3.552,9 3.635,10 3.321,11 3.113,12 4.669,13 3.095,14 4.094,15 4.214,16 3.697,17 3.46,18 5.233,19 3.43,20 4.265,21 4.427,22 3.561,23 3.409,24 5.465,25 3.374,26 4.061,27 4.209,28 3.45,29 3.235,30 5.356,31 3.217,32 3.986,33 4.173,34 3.339,35 3.199,36 5.089,37 3.133,38 3.909,39 4.084,40 3.228,41 3.081,42 5.11,43 3.008,44 3.754,45 3.958,46 2.984,47 2.933,48 4.789,49 2.835,50 3.566,51 3.806,52 2.729,53 2.811,54 4.443,55 2.645,56 0.085,57 0.445,58 5.113,59 2.951,60 6.556,61 3.061,62 0.302,63 0.737,64 13.621,65 5.083,66 22.074,67 5.259,68 0.616,69 0.765,70 18.239,71 5.983,72 44.604,73 6.21,74 0.521,75 0.628,76 12.501,77 4.273,78 42.304,79 4.327,80 0.295,81 0.594,82 13.613,83 4.876,84 22.595,85 5.502,86 0.331,87 0.555,88 13.702,89 4.428,90 36.452,91 4.532,92 0.279,93 0.462,94 10.486,95 3.672,96 25.024,97 4.034,98 0.239,99 0.397,100 10.811,101 3.466,102 18.922,103 3.911,104 2,105 27,106 0.348,107 0.688,108 0.814,109 0.852,110 0.865,111 0.891,112 2.96,113 1.002,114 -2.22,115 -2.26,116 -2.23,120 40,126 3,128 1,143 4,145 2,159 1,160 1,174 3,177 3,180 2,182 1,185 2,188 2,189 4,192 1,197 1,200 2,201 3,204 1,213 1,214 2,219 1,226 1,227 3,232 2,240 2,245 1,247 1,252 2,260 2,264 1,271 1,274 354,275 12.43,276 12.43,277 12.43,278 12.43,279 12.43,280 11.264,281 13.296,282 7.505,283 12.982,284 9.899,285 9.899,286 9.899,287 9.899,288 9.899,289 8.105,290 13.637,291 3.591,292 10.821,293 3.093,294 1.322,295 0.667,296 0.467,297 0.4,298 0.267,299 3.641,306 1,307 1,308 309,309 2.449,312 47.494,313 86.313,317 73.591,320 1.296,321 20.92,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 40,333 141,334 4.254,335 4.518,336 6.255,337 3.919,338 2.984,339 3.82,340 3.656,341 9.438,342 2.783,343 3.99,344 3.774,345 5.93,346 3.623,347 2.681,348 3.255,349 2.027,350 8.313,351 2.544,352 3.681,353 3.193,354 5.324,355 3.264,356 2.381,357 2.868,358 0.893,359 6.857,360 2.055,361 2.941,362 2.811,363 4.441,364 2.532,365 1.618,366 2.11,367 0.86,368 4.416,369 1.48,370 2.914,371 2.278,372 4.101,373 2.495,374 1.534,375 2.046,376 0.647,377 3.637,378 1.453,379 2.547,380 2.113,381 3.607,382 2.277,383 1.322,384 1.508,385 0.078,386 2.94,387 1.249,388 2.206,389 1.663,390 3.343,391 1.965,392 1.017,393 1.137,395 2.311,396 0.944,397 1.869,398 1.46,399 3.147,400 1.543,401 0.641,402 0.762,404 1.505,405 0.571,406 1.759,407 1.022,408 3,409 1.416,410 0.618,411 0.663,413 1.372,414 0.486,415 0.93,416 0.795,417 2.591,418 0.572,419 -0.348,420 -0.391,422 -0.906,423 -0.313,424 0.827,425 0.199,426 2.24,427 0.442,428 -0.538,429 -0.685,431 -1.256,432 -0.513,433 0.689,434 -0.028,435 2,436 0.312,437 -0.618,438 -0.729,440 -1.6,441 -0.566,442 0.253,443 -0.237,444 1.887,445 -0.108,446 -1.08,447 -1.453,449 -2.865,450 -1.048,451 -0.095,452 -0.638,453 1.487,454 -0.352,455 -1.35,456 -1.544,458 -3.11,459 -1.229,460 -0.298,461 -0.979,462 1.117,463 -0.565,464 -1.487,465 -1.808,466 -0.406,467 -4.105,468 -1.342,469 8.633,470 0.48,471 0.346,472 0.019,473 22.25,474 1.236,475 10,476 0.556,477 12.25,478 0.681,479 12.696,480 0.705,481 19.567,482 0.652,483 13.224,484 0.735,485 4.238,486 0.235,487 4.589,488 0.255,489 0.039,491 0.29,496 0.825,497 1.23,498 0.678,499 0.957,500 0.605,501 0.877,502 1.041,503 1.2,504 1.038,505 1.201,506 0.733,507 1.013,508 1.234,509 0.985,510 1.093,511 0.992,512 1.136,513 0.97,514 1.371,515 0.849,516 0.915,517 0.814,518 1.442,519 0.957,520 0.903,521 1.054,522 0.841,523 1.036,524 1.043,525 0.978,526 1.23,527 1.106,528 1.202,529 1.176,530 1.913,531 1.088,532 1.291,533 0.87,534 0.905,535 0.738,536 1.199,537 0.882,538 0.996,539 0.639,540 1.087,541 0.699,542 0.735,543 0.756,544 3,545 0.005,546 1.778,547 0.785,548 0.911,549 0.403,550 0.152,551 0.158,552 0.045,553 0.021,554 3015,555 9152,556 2.154,557 40,559 11,562 1,567 1.584,568 2.077,569 3.009,570 -0.171,572 1,573 1,574 1,575 54.413,576 1.814,577 3.585,578 4.24,579 4.44,580 4.507,581 4.64,582 2.489,583 3.572,584 4.144,585 3.113,586 476.361,587 7.019,588 4463.82,590 1,592 1,593 147.207,594 1.135,595 4.128,596 0.15,597 0.002,598 0.066,599 0.033,600 0.046,601 0.022,602 0.01,603 0.013,604 0.005,605 0.003,606 0.351,607 0.67,608 1,609 0.463,610 76.32,611 -0.083,612 -0.137,613 0.063,614 -0.017,615 -0.047,616 0.008,617 -0.045,618 -0.141,619 -0.054,620 -0.175,621 -0.028,622 -0.104,623 0.037,624 -0.037,625 -0.134,626 -0.062,627 -0.007,628 -0.058,629 -0.04,630 0.133,631 -0.096,632 0.013,633 0.001,634 -0.111,635 0.038,636 -0.128,637 0.104,638 -0.085,639 0.018,640 0.009,641 -0.123,642 -0.125,643 -0.123,644 -0.157,645 -0.207,646 -0.137,647 -0.234,648 0.045,649 0.037,650 0.178,651 -0.134,652 0.09,653 -0.17,654 0.303,655 0.068,656 0.375,657 -0.08,658 0.313,659 1.955,660 4.954,661 0.833,662 11.63,663 1.023,664 1.121,665 0.991,666 0.983,667 0.694,668 3.045,669 3.332,670 3.584,671 3.807,672 3.951,673 3.951,674 4.025,675 4.043,676 4.094,677 3.892,678 4.786,679 0.667,680 264.33,681 3.045,682 4.554,683 5.389,684 6.244,685 7.094,686 7.953,687 8.809,688 9.669,689 10.527,690 11.389,691 6.7,698 1,700 1,709 4,714 2,716 6,735 2,738 30,739 8,740 1,741 20,743 32,744 12,745 6,746 2,747 4,752 3,753 4,763 1,766 1,768 8,769 4,772 2,778 1,781 1,782 2,785 1,786 1,789 12,790 5,791 1,792 6,793 1,797 2,803 0.667,804 3,822 1,823 2,827 1,838 1,855 2,856 1,857 1,862 18,869 3,871 1,872 2,873 1,874 1,886 10,889 1,891 2,893 8.667,894 5.283,895 3.972,896 1.726,898 1.448,899 1.226,900 0.979,901 3.431,902 7.852,903 3.258,904 3.75,905 4.186,906 4.614,907 4.975,908 4.986,909 5.199,910 5.4,911 5.645,912 5.49,913 1,914 24,915 6.675,917 2.873,918 7.824,919 12.638,921 10.334,924 2.324,925 41.833,926 0.001,929 129.482,930 93.607,931 34.796,933 47.145,935 32.22,936 61.387,937 176.627,938 34.796,940 25.609,941 37.905,942 29.85,943 49.272,944 0.693,945 161.702,947 129.482,948 96.184,949 47.145,950 32.22,952 129.482,953 47.145,956 42.394,957 53.79,959 32.22,960 129.482,961 81.941,962 93.607,965 129.482,966 55.702,967 37.905,968 18.011,969 63.93,970 129.482,971 81.941,972 93.607,973 0.573,974 0.334,975 0.18,976 0.089,977 14,978 5,979 0.063,980 2,981 1,982 1.133,983 3.168,984 127.78,985 0.133,986 15,987 75.059,989 1,993 11.871,994 5.203,995 2.648,997 81.941,998 7.322,1003 1.277,1005 18.011,1006 305.03,1007 25,1013 11.954,1016 4.166,1017 0.458,1020 30.68,1021 33.621,1022 0.37,1023 0.731,1024 0.864,1025 0.905,1026 0.918,1027 0.946,1028 4.483,1029 0.641,1030 5.342,1031 2.311,1032 4.007,1033 4.431,1034 3.629,1035 6.098,1036 3.843,1037 5.636,1038 0.618,1039 6.862,1040 1.505,1041 3.434,1042 4.06,1043 2.424,1044 6.862,1045 3.23,1046 6.911,1047 -0.348,1048 8.482,1049 1.372,1050 5.541,1051 6.443,1052 5.867,1053 9.943,1054 5.229,1055 8.219,1056 -0.538,1057 10.162,1058 -0.906,1059 5.832,1060 6.9,1061 5.118,1062 11.543,1063 5.468,1064 9.559,1065 -0.618,1066 11.881,1067 -1.256,1068 7.349,1069 8.739,1070 8.355,1071 14.093,1072 6.906,1073 10.919,1074 -1.08,1075 13.625,1076 -1.6,1077 8.042,1078 9.58,1079 7.89,1080 16.032,1081 7.541,1082 12.295,1083 -1.35,1084 15.387,1085 -2.865,1086 9.307,1087 11.186,1088 10.891,1089 18.388,1090 8.741,1091 2.984,1092 -1.487,1093 17.161,1094 -3.11,1095 10.193,1096 12.227,1097 10.656,1098 20.478,1099 9.564,1100 2.681,1101 9.438,1102 18.944,1103 -4.105,1104 11.348,1105 13.717,1106 13.441,1107 22.756,1108 10.657,1109 2.381,1110 8.313,1111 20.734,1112 3.82,1113 12.329,1114 14.872,1115 13.395,1116 24.917,1117 11.571,1118 1.618,1119 6.857,1120 22.53,1121 3.255,1122 13.435,1123 16.299,1124 15.995,1125 27.166,1126 12.618,1127 1.534,1128 4.416,1129 24.329,1130 2.868,1131 14.464,1132 17.522,1133 16.108,1134 29.362,1135 13.577,1136 1.322,1137 3.637,1138 26.132,1139 2.11,1140 15.551,1141 18.913,1142 18.553,1143 31.599,1144 14.603,1145 1.017,1146 2.94,1147 27.937,1148 2.046,1149 16.604,1150 20.178,1151 18.799,1152 33.813,1153 15.586,1154 2881,1155 5126,1156 13.811,1157 20.83,1158 29.82,1159 32.735,1160 29.695,1161 29.504,1162 29.593,1163 36.34,1164 16.321,1165 81.577,1166 27.13,1167 5.208,1168 6.518,1169 5.943,1170 5.062,1171 4.984,1172 6.82,1173 7.135,1174 15.867,1175 4.783,1176 4.711,1177 1.491,1178 1.637,1179 1.485,1180 1.475,1181 1.48,1182 1.817,1183 0.816,1184 4.079,1185 1.356,1186 3.953,1187 3.965,1188 4.01,1189 3.838,1190 7.428,1191 3.847,1192 3.75,1193 3.797,1194 3.882,1195 3.654,1196 4.949,1197 3.606,1198 3.543,1199 3.578,1200 3.498,1201 3.38,1202 4.661,1203 3.386,1204 3.127,1205 3.18,1206 3.025,1207 2.843,1208 4.337,1209 2.878,1210 2.893,1211 2.94,1212 2.776,1213 2.735,1214 4.204,1215 2.733,1216 2.716,1217 2.769,1218 2.645,1219 2.578,1220 3.685,1221 2.569,1222 2.606,1223 2.673,1224 2.581,1225 2.357,1226 3.467,1227 2.359,1228 2.397,1229 2.504,1230 2.446,1231 2.257,1232 3.319,1233 2.143,1234 0.213,1235 0.226,1236 0.313,1237 0.196,1238 0.149,1239 4.254,1240 0.191,1241 4.518,1242 0.183,1243 6.255,1244 0.472,1245 3.919,1246 0.139,1247 2.984,1248 3.82,1249 3.656,1250 9.438,1251 2.783,1252 1.887,1253 1.872,1254 1.993,1255 2.026,1256 1.101,1257 2.011,1258 1.552,1259 1.518,1260 1.717,1261 1.774,1262 1.006,1263 1.755,1264 1.425,1265 1.356,1266 1.678,1267 1.633,1268 0.925,1269 1.66,1270 1.218,1271 1.182,1272 1.306,1273 1.432,1274 0.431,1275 1.443,1276 0.892,1277 0.852,1278 1.143,1279 1.117,1280 0.198,1281 1.12,1282 0.793,1283 0.768,1284 0.968,1285 1.016,1286 0.1,1287 1.025,1288 0.657,1289 0.595,1290 0.936,1291 0.875,1292 0.059,1293 0.901,1294 0.24,1295 0.117,1296 0.732,1297 0.657,1299 0.688,1300 3.714,1302 5.004,1303 2.398,1304 6.491,1305 4.443,1306 8.067,1307 6.26,1308 9.692,1315 1.895,1317 2.748,1318 11.092,1319 1.542,1320 -0.621,1326 20.008,1327 54.413,1328 107.555,1329 127.207,1330 133.207,1331 135.207,1332 139.207,1333 24.803,1334 6.404,1335 59.92,1336 85.22,1337 17,1338 11.939,1339 3.17,1340 2.585,1341 25.809,1342 51,1343 42,1344 0.25,1345 125.77,1346 221.86,1347 298.638,1348 4491,1350 12.372,1351 0.687,1352 0.578,1353 12.726,1354 10.405,1355 8.826,1356 0.441,1357 0.334,1358 5.668,1359 7.917,1360 5.511,1361 4.483,1362 9.281,1363 6.679,1364 7.741,1365 0.287,1366 0.184,1367 8.351,1368 4.972,1369 6.565,1370 0.188,1371 0.1,1372 7.181,1373 3.508,1374 5.391,1375 0.123,1376 0.056,1377 6.014,1378 2.477,1379 3.989,1380 0.078,1381 0.026,1382 4.294,1383 1.337,1384 0.385,1385 60.665,1386 0.269,1387 18.14,1388 0.703,1389 94,1390 330.045,1391 131.19,1392 323.689,1393 436.37,1394 306,1395 109,1396 298.878,1397 140.662,1398 305.591,1399 453.14,1400 289,1401 5.096}
{0 CHEMBL1300242,1 1.598,2 8.652,3 4.48,4 20.066,5 91.464,6 8.354,7 0.68,8 3.76,9 3.874,10 3.429,11 3.373,12 4.91,13 3.344,14 4.24,15 4.391,16 3.753,17 3.724,18 5.382,19 3.675,20 4.436,21 4.622,22 3.818,23 3.773,24 5.622,25 3.719,26 4.459,27 4.682,28 3.701,29 3.752,30 5.497,31 3.672,32 4.406,33 4.616,34 3.769,35 3.716,36 5.532,37 3.663,38 4.348,39 4.539,40 3.753,41 3.733,42 5.477,43 3.656,44 4.342,45 4.521,46 3.669,47 3.723,48 5.528,49 3.627,50 4.408,51 4.627,52 3.565,53 3.668,54 5.526,55 3.518,56 0.043,57 0.553,58 6.474,59 3.256,60 5.565,61 4.139,62 0.137,63 0.863,64 13.969,65 5.551,66 16.479,67 7.186,68 0.325,69 1.042,70 17.593,71 6.193,72 41.006,73 7.849,74 0.208,75 1.059,76 19.157,77 6.844,78 25.028,79 9.271,80 0.278,81 1.001,82 17.719,83 5.991,84 30.151,85 7.855,86 0.189,87 0.905,88 17.483,89 6.169,90 22.358,91 7.944,92 0.138,93 0.863,94 15.868,95 6.558,96 28.39,97 8.228,98 0.215,99 0.839,100 22.166,101 7.785,102 41.122,103 9.852,104 13,105 34,106 0.282,107 0.58,108 0.704,109 0.819,110 0.831,111 0.831,112 3.189,113 0.935,114 -5.12,115 -5.02,116 -4.7,120 46.2,121 1,126 1,143 10,144 2,145 1,147 1,154 1,159 1,167 1,174 11,177 5,180 2,182 1,185 13,189 8,192 1,194 1,197 9,200 1,201 8,206 3,209 5,213 1,214 5,219 4,222 6,227 6,232 3,235 8,240 5,245 1,247 12,252 3,257 1,260 12,264 1,271 9,274 727,275 15.662,276 15.662,277 15.662,278 15.662,279 15.662,280 13.512,281 14.639,282 9.366,283 15.854,284 12.297,285 12.297,286 12.297,287 12.297,288 12.297,289 9.049,290 14.436,291 4.428,292 12.654,293 3.688,294 2.001,295 1.301,296 0.654,297 0.583,298 0.583,299 3.869,300 1,306 1,307 1,308 420,309 2.828,312 64.506,313 151.481,320 1.35,321 16.431,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48.833,333 199,334 4.504,335 3.638,336 6.594,337 4.097,338 3.141,339 4.218,340 2.092,341 10.574,342 3.004,343 4.091,344 3.195,345 6.059,346 3.702,347 2.719,348 3.684,349 0.466,350 8.748,351 2.667,352 3.762,353 2.775,354 5.345,355 3.376,356 2.395,357 3.267,359 6.768,360 2.336,361 3.638,362 2.455,363 5.04,364 3.274,365 2.281,366 2.908,368 6.078,369 2.252,370 3.397,371 2.191,372 4.835,373 2.969,374 1.982,375 2.672,377 5.338,378 1.944,379 2.91,380 1.9,381 4.221,382 2.461,383 1.476,384 2.08,386 3.623,387 1.451,388 2.687,389 1.58,390 4.055,391 2.224,392 1.266,393 1.753,395 3.453,396 1.205,397 2.5,398 1.378,399 3.459,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.26,414 1,415 2.312,416 1,417 3.247,418 1.823,419 0.834,420 1.223,422 2.136,423 0.823,424 1.5,425 0.859,426 2.845,427 1.043,428 0.355,429 0.384,431 0.507,432 0.194,433 1.144,434 0.411,435 2.547,436 0.804,437 -0.185,438 -0.232,440 -0.409,441 -0.182,442 1.043,443 0.031,444 2.344,445 0.613,446 -0.355,447 -0.46,449 -0.882,450 -0.326,451 0.713,452 -0.295,453 2,454 0.274,455 -0.716,456 -0.965,458 -1.65,459 -0.701,460 0.5,461 -0.606,462 1.85,464 -1,465 -1.401,467 -2.347,468 -1,469 11.248,470 0.489,471 0.503,472 0.022,473 32.25,474 1.402,475 18,476 0.783,477 14.25,478 0.62,479 15.651,480 0.68,481 23.552,482 0.604,483 22.573,484 0.981,485 6.509,486 0.283,487 4.66,488 0.203,489 0.138,491 0.302,496 0.608,497 1.108,498 0.598,499 0.881,500 0.58,501 0.845,502 0.702,503 1.239,504 0.889,505 1.068,506 0.65,507 0.985,508 0.997,509 1.13,510 0.785,511 0.978,512 1.009,513 0.991,514 0.766,515 1.157,516 0.756,517 0.935,518 0.598,519 0.931,520 1.018,521 0.988,522 0.718,523 0.785,524 0.893,525 0.81,526 1.008,527 0.98,528 0.967,529 0.961,530 0.809,531 0.959,532 1.142,533 1.018,534 0.928,535 1.055,536 1.316,537 1.096,538 1.293,539 0.926,540 1.223,541 1.086,542 1.503,543 1.112,544 4.5,545 0.054,546 2.444,547 1.257,548 1.073,549 0.98,550 0.487,551 0.275,552 0.205,553 0.159,554 5212,555 15438,556 2.067,557 41,558 3,559 12,562 1,567 1.664,568 1.944,569 3.1,570 -0.326,572 1,575 62.317,576 1.598,577 3.284,578 3.985,579 4.631,580 4.702,581 4.702,582 2.546,583 4.176,584 4.49,585 3.25,586 822.225,587 7.77,588 9347.52,590 1,592 1,593 206.131,594 1.371,595 4.458,596 0.18,597 0.009,598 0.072,599 0.038,600 0.035,601 0.031,602 0.016,603 0.01,604 0.01,605 0.013,606 0.414,607 0.5,608 1,609 1.17,610 106.416,611 0.041,612 0.005,613 0.022,614 -0.001,615 -0.071,616 0.011,617 0.107,618 -0.178,619 -0.067,620 -0.151,621 0.007,622 -0.088,623 0.056,624 -0.043,625 -0.031,626 -0.097,627 0.014,628 -0.11,629 0.033,630 -0.111,631 0.027,632 -0.021,633 0.026,634 0.014,635 0.013,636 0.1,637 0.073,638 0.105,639 0.034,640 0.093,641 -0.057,642 0.052,643 -0.019,644 -0.017,645 0.031,646 -0.027,647 -0.128,648 -0.055,649 -0.068,650 -0.09,651 -0.063,652 -0.146,653 -0.131,654 -0.063,655 -0.056,656 -0.038,657 -0.086,658 -0.081,659 1.931,660 4.671,661 0.739,662 19.297,663 1.004,664 1.117,665 3.892,666 15.145,667 0.709,668 3.258,669 3.555,670 3.807,671 4.06,672 4.304,673 4.407,674 4.511,675 4.585,676 4.644,677 4.575,678 5.377,679 0.674,680 325.82,681 3.258,682 4.779,683 5.617,684 6.485,685 7.349,686 8.229,687 9.106,688 9.993,689 10.877,690 11.767,691 7.7,698 1,699 1,701 1,709 10,710 1,714 5,715 1,716 17,738 39,739 18,740 2,741 25,743 41,744 18,745 15,746 3,747 9,750 1,752 3,753 3,754 1,759 2,768 16,769 2,772 1,778 1,782 1,786 1,789 16,790 3,791 1,792 5,793 1,797 3,803 1,804 1,814 1,822 1,823 2,838 1,855 3,859 1,860 1,862 23,869 1,871 1,885 1,886 2.6,889 1,893 11.833,894 7.293,895 5.167,896 2.199,898 2.91,899 1.427,900 0.995,901 4.676,902 9.726,903 3.57,904 4.163,905 4.735,906 5.331,907 5.856,908 6.173,909 6.605,910 6.995,911 7.385,912 7.639,913 0.833,914 33,915 8.447,917 3.513,918 7.766,919 16.03,921 12.788,924 2.266,925 52.111,929 176.567,930 125.354,931 36.45,932 39.149,933 25.145,936 125.354,937 240.86,938 36.45,939 8.825,940 20.86,941 94.762,942 46.513,943 15.989,945 215.715,947 176.567,948 161.805,949 25.145,950 39.149,952 176.567,953 25.145,956 36.547,957 108.595,958 55.812,960 176.567,961 61.595,962 164.503,965 176.567,966 21.767,967 105.364,968 18.011,969 80.957,970 176.567,971 61.595,972 164.503,973 0.571,974 0.328,975 0.171,976 0.103,977 16,978 7,979 0.073,980 3,982 1,983 3.501,984 182.098,986 17,987 96.042,993 15.629,994 6.882,995 3.566,997 59.819,998 19.602,999 4.627,1003 4.436,1004 1.708,1005 18.011,1006 402.665,1007 34.5,1013 11.671,1017 -0.265,1020 39.142,1021 43.555,1022 0.302,1023 0.621,1024 0.754,1025 0.876,1026 0.89,1027 0.89,1028 4.773,1029 1,1030 5.587,1031 3.453,1032 4.234,1033 4.848,1034 2.216,1035 6.372,1036 4.178,1037 5.977,1038 1,1039 7.127,1040 2.275,1041 3.761,1042 4.543,1043 1.593,1044 7.222,1045 3.689,1046 7.273,1047 0.834,1048 8.766,1049 2.26,1050 5.796,1051 7.021,1052 3.353,1053 10.32,1054 5.679,1055 8.606,1056 0.355,1057 10.466,1058 2.136,1059 6.155,1060 7.546,1061 3.32,1062 12.033,1063 5.994,1064 9.97,1065 -0.185,1066 12.205,1067 0.507,1068 7.645,1069 9.468,1070 4.672,1071 14.642,1072 7.455,1073 11.356,1074 -0.355,1075 13.973,1076 -0.409,1077 8.395,1078 10.403,1079 4.943,1080 16.714,1081 8.148,1082 12.76,1083 -0.716,1084 15.762,1085 -0.882,1086 9.663,1087 12.072,1088 6.06,1089 19.153,1090 9.388,1091 3.141,1092 -1,1093 17.567,1094 -1.65,1095 10.607,1096 13.229,1097 6.506,1098 21.381,1099 10.271,1100 2.719,1101 10.574,1102 19.385,1103 -2.347,1104 11.784,1105 14.773,1106 7.482,1107 23.759,1108 11.415,1109 2.395,1110 8.748,1111 21.213,1112 4.218,1113 12.823,1114 16.053,1115 8.035,1116 26.055,1117 12.396,1118 2.281,1119 6.768,1120 23.049,1121 3.684,1122 13.966,1123 17.536,1124 8.923,1125 28.413,1126 13.5,1127 1.982,1128 6.078,1129 24.893,1130 3.267,1131 15.053,1132 18.884,1133 9.544,1134 30.739,1135 14.532,1136 1.476,1137 5.338,1138 26.741,1139 2.908,1140 16.186,1141 20.337,1142 10.377,1143 33.091,1144 15.622,1145 1.266,1146 3.623,1147 28.595,1148 2.672,1149 17.297,1150 21.723,1151 11.04,1152 35.432,1153 16.681,1154 5157,1155 9003,1156 16.701,1157 27.659,1158 37.243,1159 38.508,1160 38.387,1161 36.73,1162 36.9,1163 50.377,1164 5.117,1165 103.521,1166 35.753,1167 5.317,1168 5.638,1169 6.396,1170 5.122,1171 5.141,1172 7.218,1173 3.76,1174 17.453,1175 5.004,1176 10.593,1177 1.49,1178 1.54,1179 1.535,1180 1.469,1181 1.476,1182 2.015,1183 0.205,1184 4.141,1185 1.43,1186 4.067,1187 4.111,1188 4.038,1189 3.955,1190 7.429,1191 3.965,1192 3.879,1193 3.911,1194 3.817,1195 3.818,1196 4.999,1197 3.813,1198 3.709,1199 3.752,1200 3.793,1201 3.57,1202 4.724,1203 3.584,1204 3.498,1205 3.529,1206 3.6,1207 3.313,1208 4.662,1209 3.321,1210 3.14,1211 3.221,1212 3.083,1213 2.993,1214 4.592,1215 2.978,1216 2.854,1217 2.925,1218 2.936,1219 2.735,1220 3.889,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.769,1227 2.715,1228 2.822,1229 2.887,1230 2.687,1231 2.701,1232 3.674,1233 2.69,1234 0.18,1235 0.146,1236 0.264,1237 0.164,1238 0.126,1239 4.504,1240 0.169,1241 3.638,1242 0.084,1243 6.594,1244 0.423,1245 4.097,1246 0.12,1247 3.141,1248 4.218,1249 2.092,1250 10.574,1251 3.004,1252 1.932,1253 1.907,1254 2.046,1255 2.022,1256 1.155,1257 2.024,1258 1.9,1259 1.867,1260 2.015,1261 1.998,1262 1.083,1263 2.009,1264 1.551,1265 1.512,1266 1.671,1267 1.773,1268 0.793,1269 1.75,1270 1.364,1271 1.323,1272 1.567,1273 1.532,1274 0.695,1275 1.546,1276 1.222,1277 1.163,1278 1.404,1279 1.459,1280 0.539,1281 1.446,1282 1.019,1283 0.935,1284 1.241,1285 1.259,1286 0.287,1287 1.282,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.932,1302 5.231,1303 2.398,1304 6.723,1305 4.727,1306 8.297,1307 6.843,1308 9.916,1310 2.04,1311 5.6,1315 -0.097,1317 2.79,1326 26.294,1327 62.317,1328 128.082,1329 155.402,1330 180.621,1331 183.376,1332 183.376,1333 32.621,1334 6.816,1335 46.92,1336 46.92,1337 17,1338 12.298,1339 4.248,1340 3.392,1341 36.526,1342 73,1343 78,1344 0.25,1345 167.618,1346 283.42,1347 400.748,1348 6861,1349 2.6,1350 16.234,1351 0.706,1352 0.583,1353 16.734,1354 13.417,1355 11.169,1356 0.447,1357 0.312,1358 7.231,1359 10.573,1360 6.964,1361 5.815,1362 11.523,1363 7.79,1364 9.823,1365 0.289,1366 0.161,1367 10.027,1368 5.477,1369 8.17,1370 0.186,1371 0.084,1372 8.519,1373 3.689,1374 6.438,1375 0.113,1376 0.041,1377 6.522,1378 2.345,1379 5.353,1380 0.073,1381 0.022,1382 5.46,1383 1.631,1384 0.379,1385 72.835,1386 0.245,1387 22.318,1388 0.724,1389 118,1390 341.562,1391 138.741,1392 365.224,1393 491.59,1394 342,1395 137,1396 343.192,1397 155.407,1398 354.929,1399 515.94,1400 333,1401 5.029}
{0 CHEMBL1301042,1 1.57,2 10.292,3 4.74,4 22.465,5 97.186,6 7.738,7 0.615,8 3.866,9 3.972,10 3.522,11 3.478,12 4.961,13 3.42,14 4.389,15 4.554,16 3.957,17 3.855,18 5.499,19 3.784,20 4.591,21 4.751,22 3.924,23 3.967,24 5.657,25 3.864,26 4.714,27 4.952,28 3.839,29 3.907,30 5.769,31 3.779,32 4.498,33 4.69,34 3.596,35 3.738,36 5.654,37 3.651,38 4.381,39 4.569,40 3.481,41 3.747,42 5.358,43 3.616,44 4.536,45 4.812,46 3.423,47 3.745,48 5.348,49 3.551,50 4.39,51 4.663,52 3.317,53 3.515,54 5.291,55 3.318,56 0.008,57 0.604,58 9.113,59 4.354,60 6.672,61 5.377,62 0.302,63 1,64 18.609,65 7.166,66 26.817,67 9.089,68 0.226,69 1.173,70 23.229,71 9.03,72 28.476,73 10.552,74 0.292,75 1.3,76 31.586,77 10.688,78 48.041,79 12.882,80 0.396,81 1.034,82 23.535,83 7.511,84 58.462,85 8.523,86 0.14,87 0.928,88 16.941,89 7.403,90 21.19,91 9.849,92 0.106,93 1.064,94 23.014,95 9.364,96 24.684,97 12.848,98 0.286,99 0.929,100 24.36,101 8.201,102 32.609,103 10.578,104 30,105 38,106 0.272,107 0.568,108 0.677,109 0.755,110 0.763,111 0.763,112 3.228,113 0.99,114 -4.51,115 -4.44,116 -4.18,120 43.2,121 3,125 1,131 1,143 8,144 1,145 1,147 1,153 1,160 1,162 1,174 7,176 3,177 8,185 11,189 6,197 7,201 14,209 5,214 4,222 6,226 1,227 3,235 14,247 10,251 2,252 4,260 3,264 2,274 700,275 15.533,276 15.533,277 15.533,278 15.533,279 15.533,280 13.63,281 11.622,282 8.928,283 15.982,284 12.832,285 12.832,286 12.832,287 12.832,288 12.832,289 9.907,290 17.103,291 4.255,292 13.603,293 3.89,294 2.177,295 1.546,296 1.092,297 1.046,298 1.046,299 3.902,306 1,307 1,308 524,309 3.937,312 55.063,313 153.394,316 107.813,320 1.792,321 17.532,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51,333 247,334 4.51,335 3.858,336 6.52,337 4.1,338 3.165,339 4.438,340 2.208,341 10.302,342 2.948,343 4.26,344 3.251,345 6.374,346 3.986,347 3.062,348 3.761,349 0.655,350 9.888,351 2.838,352 4.086,353 3.059,354 6.229,355 3.801,356 2.853,357 3.328,358 0.13,359 9.167,360 2.693,361 3.858,362 2.72,363 5.893,364 3.504,365 2.533,366 3.086,368 8.182,369 2.447,370 3.369,371 2.459,372 5.008,373 2.927,374 1.953,375 2.597,377 5.605,378 1.88,379 3.032,380 1.62,381 4.414,382 2.5,383 1.532,384 2.298,386 4.312,387 1.483,388 3.007,389 1.532,390 4.31,391 2.453,392 1.521,393 2.23,395 3.915,396 1.393,397 2.659,398 1.352,399 3.61,400 2.133,401 1.19,402 1.722,404 2.851,405 1.103,406 2.5,407 1.028,408 3.545,409 2,410 1,411 1.5,413 2.275,414 1,415 1.977,416 1,417 3.414,418 1.636,419 0.693,420 0.824,422 1.769,423 0.643,424 1.847,425 0.719,426 3,427 1.239,428 0.347,429 0.521,431 0.86,432 0.304,433 0.916,434 0.347,435 2.804,436 0.532,437 -0.419,438 -0.511,440 -1.074,441 -0.393,442 0.879,443 -0.36,444 2.454,445 0.491,446 -0.488,447 -0.613,449 -1.246,450 -0.467,451 0.663,452 -0.632,453 2,454 0.151,455 -0.82,456 -1,458 -1.983,459 -0.778,460 0.5,461 -0.8,462 2,464 -1,465 -1,467 -2.625,468 -0.913,469 11.8,470 0.492,471 0.84,472 0.035,473 31,474 1.292,475 16,476 0.667,477 15,478 0.625,479 20.465,480 0.853,481 25.4,482 0.577,483 21.154,484 0.881,485 5.849,486 0.244,487 5.484,488 0.228,489 0.198,490 0.042,491 0.288,496 0.73,497 1.236,498 0.747,499 0.989,500 0.668,501 0.95,502 0.616,503 0.929,504 0.688,505 0.792,506 0.437,507 0.74,508 1.589,509 1.152,510 1.131,511 1.047,512 0.996,513 1.091,514 1.328,515 0.95,516 1.074,517 0.942,518 1.346,519 0.833,520 2.325,521 0.743,522 1.334,523 0.823,524 2.884,525 0.898,526 0.771,527 1.098,528 0.89,529 1.086,530 0.93,531 1.246,532 0.315,533 0.975,534 0.678,535 0.894,536 0.386,537 0.979,538 0.422,539 1.011,540 1.025,541 1.165,542 0.557,543 1.038,544 6.5,545 0.112,546 3.111,547 1.917,548 1.289,549 0.774,550 0.44,551 0.291,552 0.257,553 0.225,554 6507,555 16783,556 2.005,557 45.5,559 11,564 9,567 1.664,568 1.834,569 3.34,570 -0.782,575 69.066,576 1.57,577 3.283,578 3.913,579 4.368,580 4.413,581 4.413,582 2.736,583 3.209,584 4.556,585 3.54,586 977.003,587 7.837,588 11676.6,590 1,593 240.215,594 1.697,595 4.483,596 0.25,597 0.007,598 0.082,599 0.055,600 0.04,601 0.029,602 0.018,603 0.014,604 0.016,605 0.015,606 0.526,607 0.17,608 1,609 1.427,610 115.241,611 0.006,612 -0.157,613 0.077,614 -0.025,615 -0.103,616 -0.007,617 0.401,618 0.138,619 0.272,620 0.189,621 0.265,622 0.206,623 -0.245,624 -0.128,625 -0.145,626 -0.062,627 -0.135,628 -0.162,629 -0.095,630 0.045,631 0.057,632 0.088,633 0.037,634 0.142,635 -0.506,636 0.298,637 -0.315,638 0.112,639 -0.438,640 -0.012,641 -0.033,642 -0.166,643 -0.172,644 -0.212,645 -0.129,646 -0.276,647 0.125,648 -0.084,649 0.161,650 0.026,651 0.066,652 0.053,653 0.31,654 -0.057,655 0.084,656 -0.122,657 0.146,658 -0.013,659 2.032,660 5.125,661 0.625,662 21.333,663 0.997,664 1.115,665 3.279,666 10.754,667 0.691,668 3.296,669 3.664,670 3.85,671 4.094,672 4.263,673 4.331,674 4.454,675 4.543,676 4.615,677 4.71,678 6.322,679 0.645,680 340.48,681 3.296,682 4.86,683 5.694,684 6.586,685 7.438,686 8.33,687 9.19,688 10.082,689 10.948,690 11.838,691 4.5,698 1,701 1,708 2,709 8,710 1,713 1,714 3,716 16,733 1,738 44,739 17,740 2,741 26,743 46,744 19,745 13,746 4,747 8,752 3,753 4,759 3,768 14,769 5,770 1,772 1,778 1,782 1,789 20,790 4,792 5,793 1,797 2,803 0.667,804 2,822 1,823 2,826 1,855 2,857 1,859 4,862 24,872 1,875 1,876 1,879 1,886 4.5,889 1,891 1,893 13.083,894 9.317,895 5.069,896 2.539,898 3.206,899 1.455,900 0.959,901 4.593,902 10.255,903 3.584,904 4.216,905 4.78,906 5.397,907 5.921,908 6.278,909 6.746,910 7.193,911 7.464,912 7.849,913 0.857,914 35,915 8.861,917 3.702,918 7.691,919 16.963,921 13.703,924 2.191,925 52.583,928 1,929 235.422,930 158.484,931 19.91,933 36.145,935 31.278,936 127.206,937 271.567,938 19.91,939 34.872,940 3.124,941 75.81,942 42.86,943 19.086,944 7.508,945 266.7,947 235.422,948 147.116,949 36.145,950 31.278,952 129.482,953 142.085,956 32.674,957 97.657,958 16.786,959 31.278,960 235.422,961 56.055,962 158.484,965 235.422,966 47.802,967 113.806,969 52.93,970 235.422,971 56.055,972 158.484,973 0.598,974 0.321,975 0.167,976 0.087,977 19,978 9,979 0.087,980 4,981 1,982 1.133,983 3.585,984 190.519,985 0.133,986 15,987 101.284,989 1,993 16.906,994 6.52,995 3.953,996 2.176,997 56.055,998 15.869,999 4.654,1002 1.662,1003 2.8,1006 449.961,1007 35,1013 12.125,1017 -0.366,1020 43.887,1021 49.072,1022 0.288,1023 0.601,1024 0.717,1025 0.8,1026 0.808,1027 0.808,1028 4.836,1029 1.19,1030 5.74,1031 3.915,1032 4.344,1033 4.902,1034 2.32,1035 6.581,1036 4.227,1037 6.082,1038 1,1039 7.328,1040 2.851,1041 4.205,1042 4.82,1043 1.847,1044 7.708,1045 4.021,1046 7.413,1047 0.693,1048 9.02,1049 2.275,1050 6.033,1051 7.138,1052 3.527,1053 10.661,1054 5.789,1055 8.777,1056 0.347,1057 10.767,1058 1.769,1059 6.635,1060 7.823,1061 3.656,1062 12.502,1063 6.305,1064 10.167,1065 -0.419,1066 12.547,1067 0.86,1068 8.018,1069 9.672,1070 4.955,1071 15.033,1072 7.637,1073 11.575,1074 -0.488,1075 14.348,1076 -1.074,1077 8.918,1078 10.736,1079 5.37,1080 17.138,1081 8.445,1082 12.997,1083 -0.82,1084 16.163,1085 -1.246,1086 10.139,1087 12.379,1088 6.458,1089 19.525,1090 9.614,1091 3.165,1092 -1,1093 17.986,1094 -1.983,1095 11.165,1096 13.645,1097 7.028,1098 21.738,1099 10.55,1100 3.062,1101 10.302,1102 19.817,1103 -2.625,1104 12.325,1105 15.193,1106 7.994,1107 24.072,1108 11.651,1109 2.853,1110 9.888,1111 21.652,1112 4.438,1113 13.406,1114 16.564,1115 8.654,1116 26.334,1117 12.647,1118 2.533,1119 9.167,1120 23.491,1121 3.761,1122 14.543,1123 18.071,1124 9.549,1125 28.649,1126 13.72,1127 1.953,1128 8.182,1129 25.333,1130 3.328,1131 15.65,1132 19.497,1133 10.263,1134 30.934,1135 14.745,1136 1.532,1137 5.605,1138 27.177,1139 3.086,1140 16.78,1141 20.988,1142 11.116,1143 33.243,1144 15.807,1145 1.521,1146 4.312,1147 29.023,1148 2.597,1149 17.899,1150 22.442,1151 11.862,1152 35.54,1153 16.847,1154 6398,1155 10421,1156 16.701,1157 30.421,1158 40.595,1159 40.982,1160 40.329,1161 39.657,1162 39.699,1163 52.608,1164 5.986,1165 118.252,1166 37.465,1167 5.395,1168 5.858,1169 6.202,1170 5.208,1171 5.165,1172 7.438,1173 3.912,1174 17.222,1175 4.948,1176 13.893,1177 1.561,1178 1.576,1179 1.551,1180 1.525,1181 1.527,1182 2.023,1183 0.23,1184 4.548,1185 1.441,1186 4.081,1187 4.096,1188 4.33,1189 4.076,1190 7.433,1191 4.032,1192 3.883,1193 3.913,1194 3.842,1195 3.807,1196 4.99,1197 3.804,1198 3.725,1199 3.768,1200 3.617,1201 3.561,1202 4.701,1203 3.561,1204 3.446,1205 3.502,1206 3.447,1207 3.307,1208 4.55,1209 3.282,1210 3.232,1211 3.269,1212 3.274,1213 3.109,1214 4.263,1215 3.095,1216 2.927,1217 3.009,1218 2.861,1219 2.791,1220 3.989,1221 2.769,1222 2.884,1223 3.009,1224 2.751,1225 2.735,1226 3.714,1227 2.715,1228 2.874,1229 2.966,1230 2.687,1231 2.618,1232 3.676,1233 2.627,1234 0.173,1235 0.148,1236 0.251,1237 0.158,1238 0.122,1239 4.51,1240 0.171,1241 3.858,1242 0.085,1243 6.52,1244 0.396,1245 4.1,1246 0.113,1247 3.165,1248 4.438,1249 2.208,1250 10.302,1251 2.948,1252 1.914,1253 1.893,1254 2.008,1255 2.014,1256 1.133,1257 2.013,1258 1.898,1259 1.877,1260 1.977,1261 1.961,1262 1.115,1263 1.978,1264 1.695,1265 1.646,1266 1.943,1267 1.888,1268 1.092,1269 1.906,1270 1.395,1271 1.349,1272 1.63,1273 1.631,1274 0.703,1275 1.634,1276 1.161,1277 1.129,1278 1.417,1279 1.288,1280 0.469,1281 1.312,1282 0.934,1283 0.884,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.235,1291 1.239,1292 0.42,1293 1.308,1294 0.917,1295 0.804,1296 1.181,1297 1.172,1298 0.218,1299 1.122,1300 3.97,1302 5.323,1303 2.398,1304 6.847,1305 4.727,1306 8.442,1307 6.843,1308 10.073,1310 7.277,1318 5.385,1321 1.507,1322 -0.508,1326 28.401,1327 69.066,1328 144.441,1329 172.176,1330 192.176,1331 194.176,1332 194.176,1333 37.854,1334 7.048,1335 42.43,1336 70.67,1337 17,1338 12.372,1339 4.17,1340 3.322,1341 39.528,1342 95,1343 68,1344 0.214,1345 180.138,1346 304.45,1347 431.296,1348 10111,1350 17.32,1351 0.722,1352 0.627,1353 17.673,1354 15.054,1355 11.332,1356 0.436,1357 0.33,1358 7.746,1359 10.533,1360 7.286,1361 6.152,1362 11.741,1363 8.577,1364 11.312,1365 0.298,1366 0.2,1367 11.954,1368 7.604,1369 8.336,1370 0.181,1371 0.099,1372 9.158,1373 4.548,1374 6.923,1375 0.117,1376 0.055,1377 7.821,1378 3.23,1379 5.179,1380 0.074,1381 0.031,1382 5.944,1383 2.176,1384 0.34,1385 74.446,1386 0.245,1387 23.64,1388 0.576,1389 128,1390 359.622,1391 166.065,1392 370.437,1393 510.97,1394 346,1395 148,1396 369.638,1397 182.306,1398 392.656,1399 572.84,1400 366,1401 6.796}
{0 CHEMBL1301125,1 1.636,2 8.429,3 4.951,4 24.51,5 131.429,6 8.561,7 0.462,8 4.16,9 4.25,10 3.85,11 3.758,12 5.36,13 3.75,14 4.704,15 4.832,16 4.28,17 4.196,18 5.851,19 4.178,20 4.981,21 5.117,22 4.506,23 4.452,24 6.082,25 4.426,26 5.241,27 5.382,28 4.694,29 4.63,30 6.426,31 4.619,32 5.389,33 5.524,34 4.858,35 4.786,36 6.712,37 4.767,38 5.556,39 5.736,40 4.834,41 4.838,42 6.85,43 4.789,44 5.544,45 5.75,46 4.627,47 4.68,48 6.834,49 4.597,50 5.243,51 5.467,52 4.23,53 4.35,54 6.448,55 4.204,56 0.087,57 0.768,58 8.684,59 5.06,60 11.572,61 5.817,62 0.496,63 1.294,64 19.059,65 8.682,66 48.179,67 10.057,68 0.366,69 1.732,70 26.362,71 11.59,72 54.245,73 13.595,74 0.858,75 2.213,76 35.358,77 14.069,78 106.14,79 15.603,80 1.035,81 2.55,82 36.747,83 16.972,84 111.518,85 20.055,86 0.794,87 2.959,88 49.812,89 21.191,90 124.779,91 25.83,92 1.275,93 2.719,94 59.035,95 21.795,96 191.594,97 25.411,98 0.922,99 1.948,100 49.422,101 17.15,102 144.358,103 20.681,104 51,105 59,106 0.263,107 0.569,108 0.689,109 0.788,110 0.805,111 0.822,112 3.591,113 0.877,114 -5.85,115 -5.71,116 -5.32,120 47.4,122 1,124 1,125 2,126 1,131 1,143 12,144 4,145 2,159 3,167 1,174 16,176 3,177 10,185 23,188 1,189 16,197 25,200 4,201 15,209 25,213 8,214 24,222 29,226 2,227 29,235 23,239 2,240 24,247 15,252 11,260 9,264 2,271 4,274 2216,275 23.981,276 23.981,277 23.981,278 23.981,279 23.981,280 21.465,281 26.67,282 13.727,283 24.591,284 19.008,285 19.008,286 19.008,287 19.008,288 19.008,289 15.096,290 34.803,291 6.131,292 19.755,293 4.197,294 2.303,295 1.553,296 0.939,297 0.834,298 0.728,299 4.292,303 1,307 1,308 633,309 4.472,312 138.4,313 231.717,316 195.976,320 1.127,321 45.044,324 0.75,325 0.67,326 1,327 0.8,328 0.5,329 1,330 1,331 0.82,332 75.833,333 295,334 5.221,335 4.526,336 9.109,337 5.125,338 4.142,339 4.564,340 2.443,341 19.897,342 4.073,343 4.392,344 3.959,345 7.329,346 4.134,347 3.137,348 3.802,349 2.443,350 12.391,351 3.124,352 4.134,353 3.774,354 6.66,355 3.835,356 2.873,357 3.621,358 1.265,359 10.434,360 2.757,361 3.785,362 3.633,363 6.072,364 3.358,365 2.421,366 3.298,367 1.193,368 8.052,369 2.278,370 3.736,371 3.039,372 5.951,373 3.278,374 2.278,375 3.02,376 0.286,377 7.614,378 2.275,379 3.597,380 2.884,381 5.304,382 3.204,383 2.242,384 2.737,385 0.286,386 6.563,387 2.126,388 3.546,389 2.593,390 5.088,391 3.166,392 2.196,393 2.619,394 0.14,395 5.82,396 2.096,397 3.353,398 2.361,399 4.951,400 2.843,401 1.931,402 2.465,404 5.568,405 1.688,406 2.974,407 2.266,408 4.805,409 2.509,410 1.518,411 2.184,413 3.954,414 1.505,415 2.873,416 1.935,417 4.477,418 2.43,419 1.469,420 1.908,422 3.371,423 1.383,424 2.781,425 1.503,426 4,427 2.317,428 1.317,429 1.787,431 3.058,432 1.317,433 2.624,434 1.461,435 3.758,436 2,437 1.015,438 1.5,440 2.724,441 1,442 2.5,443 1.461,444 3.651,445 2,446 1,447 1.5,449 2.449,450 1,451 2.5,452 1.38,453 3.543,454 1.984,455 1,456 1.352,458 2.275,459 0.974,460 2.299,461 1.106,462 3.414,463 1.432,464 0.5,465 0.806,467 0.978,468 0.46,469 16.748,470 0.479,471 0.905,472 0.026,473 47,474 1.343,475 24.5,476 0.7,477 22.5,478 0.643,479 34.293,480 0.98,481 36.052,482 0.632,483 45.287,484 1.294,485 9.418,486 0.269,487 7.521,488 0.215,489 0.166,490 0.06,491 0.287,496 0.657,497 1.127,498 0.585,499 0.966,500 0.503,501 0.862,502 0.798,503 0.938,504 0.666,505 0.734,506 0.513,507 0.745,508 0.861,509 1.142,510 0.849,511 0.971,512 0.788,513 0.913,514 1.207,515 0.972,516 0.869,517 0.827,518 1.318,519 0.841,520 0.727,521 1.112,522 0.666,523 1.009,524 0.789,525 0.98,526 0.892,527 1.134,528 0.764,529 1.107,530 0.909,531 1.071,532 1.375,533 0.963,534 1.001,535 0.974,536 1.368,537 1.05,538 1.273,539 1.014,540 1.284,541 1.112,542 1.417,543 1.204,544 7.5,545 0.054,546 6,547 5.181,548 4.157,549 2.916,550 1.657,551 0.942,552 0.555,553 0.208,554 12566,555 40686,556 2.075,557 38.6,559 20,563 2,567 1.786,568 1.909,569 2.9,570 -0.765,575 93.23,576 1.636,577 3.53,578 4.28,579 4.894,580 4.999,581 5.105,582 2.42,583 4.479,584 5.097,585 3.084,586 1835.26,587 9.064,588 25904.9,593 332.475,594 1.695,595 5.035,596 0.192,597 0.009,598 0.102,599 0.07,600 0.046,601 0.028,602 0.017,603 0.013,604 0.014,605 0.013,606 0.505,607 0.17,608 0.63,609 1.269,610 177.558,611 0.013,612 -0.06,613 0.038,614 -0.049,615 0.003,616 -0.004,617 0.082,618 0.117,619 0.072,620 0.195,621 0.062,622 0.145,623 -0.082,624 -0.08,625 -0.045,626 -0.038,627 -0.071,628 -0.012,629 -0.135,630 0.11,631 -0.108,632 0.078,633 -0.206,634 0.025,635 0.209,636 -0.062,637 -0.008,638 -0.098,639 0.138,640 -0.094,641 -0.004,642 -0.123,643 -0.009,644 -0.166,645 0.084,646 -0.114,647 -0.169,648 -0.019,649 -0.055,650 0.008,651 -0.072,652 -0.053,653 -0.162,654 -0.109,655 -0.104,656 -0.078,657 -0.181,658 -0.149,659 2.757,660 6.847,661 0.657,662 28.266,663 1.014,664 1.113,665 4.618,666 21.326,667 0.707,668 3.689,669 4.094,670 4.543,671 5.004,672 5.407,673 5.652,674 5.866,675 6.014,676 6.059,677 6.094,678 5.253,679 0.685,680 487.97,681 3.689,682 5.283,683 6.217,684 7.191,685 8.174,686 9.173,687 10.175,688 11.184,689 12.194,690 13.207,691 5.3,694 1,697 1,700 1,709 12,714 6,716 18,737 1,738 57,739 21,740 3,741 39,743 61,744 27,745 18,746 6,747 12,752 5,753 8,754 1,760 1,762 1,764 1,766 1,767 1,768 20,769 6,770 1,772 2,778 2,782 2,789 22,790 7,792 8,793 1,797 3,801 1,803 0.4,804 4,822 2,823 3,826 2,841 2,855 2,859 2,860 1,862 35,869 2,872 2,875 2,876 2,877 1,882 1,884 1,885 1,886 7,889 2,891 2,893 18.333,894 11.16,895 7.868,896 3.244,898 3.187,899 1.376,900 0.965,901 5.807,902 11.663,903 3.97,904 4.549,905 5.169,906 5.804,907 6.449,908 6.829,909 7.317,910 7.762,911 8.071,912 8.367,913 0.833,914 74,915 13.067,917 5.924,918 7.913,919 24.291,921 20.668,924 2.413,925 84.444,929 258.964,930 189.677,931 37.063,932 39.149,933 72.29,936 189.677,937 370.403,938 37.063,939 21.766,940 4.64,941 113.715,942 80.845,943 78.062,945 258.964,946 39.149,947 258.964,948 226.739,949 72.29,950 39.149,952 258.964,953 72.29,956 38.701,957 188.038,958 39.149,960 258.964,961 109.353,962 228.825,965 258.964,966 38.023,967 141.485,968 16.173,969 142.498,970 258.964,971 109.353,972 228.825,973 0.582,974 0.377,975 0.236,976 0.158,977 31,978 14,979 0.098,980 6,981 2,982 1.217,983 3.909,984 401.227,985 0.174,986 24,987 163.525,993 23.382,994 8.693,995 3.127,997 109.353,998 22.53,1003 4.594,1006 597.142,1007 52,1013 26.72,1017 -1.182,1020 57.774,1021 63.429,1022 0.28,1023 0.605,1024 0.734,1025 0.839,1026 0.857,1027 0.875,1028 5.27,1029 1.931,1030 6.275,1031 5.82,1032 4.779,1033 5.236,1034 3.281,1035 7.334,1036 4.717,1037 6.514,1038 1.518,1039 7.99,1040 5.568,1041 4.691,1042 5.112,1043 2.942,1044 9.054,1045 4.608,1046 7.878,1047 1.469,1048 9.845,1049 3.954,1050 6.627,1051 7.417,1052 4.602,1053 12.374,1054 6.532,1055 9.288,1056 1.317,1057 11.796,1058 3.371,1059 7.456,1060 8.123,1061 4.97,1062 15.026,1063 7.351,1064 10.744,1065 1.015,1066 13.816,1067 3.058,1068 8.959,1069 9.934,1070 6.2,1071 18.062,1072 8.843,1073 12.237,1074 1,1075 15.886,1076 2.724,1077 10.164,1078 11.034,1079 6.854,1080 20.968,1081 10.037,1082 13.759,1083 1,1084 17.992,1085 2.449,1086 11.571,1087 12.656,1088 7.907,1089 23.961,1090 11.432,1091 4.142,1092 0.5,1093 20.125,1094 2.275,1095 12.912,1096 13.955,1097 8.686,1098 26.929,1099 12.759,1100 3.137,1101 19.897,1102 22.277,1103 0.978,1104 14.311,1105 15.502,1106 9.658,1107 29.918,1108 14.143,1109 2.873,1110 12.391,1111 24.443,1112 4.564,1113 15.699,1114 16.904,1115 10.495,1116 32.902,1117 15.515,1118 2.421,1119 10.434,1120 26.62,1121 3.802,1122 17.105,1123 18.422,1124 11.427,1125 35.891,1126 16.905,1127 2.278,1128 8.052,1129 28.805,1130 3.621,1131 18.511,1132 19.876,1133 12.293,1134 38.88,1135 18.294,1136 2.242,1137 7.614,1138 30.995,1139 3.298,1140 19.923,1141 21.385,1142 13.205,1143 41.87,1144 19.69,1145 2.196,1146 6.563,1147 33.19,1148 3.02,1149 21.336,1150 22.868,1151 14.085,1152 44.86,1153 21.086,1154 12277,1155 22155,1156 25.542,1157 40.307,1158 61.419,1159 64.851,1160 66.507,1161 59.419,1162 59.413,1163 75.785,1164 16.111,1165 192.318,1166 57.276,1167 6.181,1168 6.526,1169 8.791,1170 6.157,1171 6.142,1172 7.564,1173 4.174,1174 29.891,1175 6.073,1176 18.659,1177 1.575,1178 1.663,1179 1.705,1180 1.524,1181 1.523,1182 1.943,1183 0.413,1184 4.931,1185 1.469,1186 4.164,1187 4.187,1188 4.14,1189 4.107,1190 7.436,1191 4.11,1192 3.891,1193 3.919,1194 3.968,1195 3.831,1196 7.427,1197 3.825,1198 3.77,1199 3.793,1200 3.741,1201 3.639,1202 6.821,1203 3.651,1204 3.688,1205 3.723,1206 3.607,1207 3.631,1208 4.955,1209 3.621,1210 3.487,1211 3.518,1212 3.468,1213 3.199,1214 4.857,1215 3.247,1216 3.383,1217 3.413,1218 3.338,1219 3.052,1220 4.557,1221 3.107,1222 3.163,1223 3.238,1224 3.242,1225 2.974,1226 4.518,1227 2.987,1228 3.055,1229 3.116,1230 3.046,1231 2.868,1232 4.483,1233 2.859,1234 0.134,1235 0.116,1236 0.234,1237 0.131,1238 0.106,1239 5.221,1240 0.117,1241 4.526,1242 0.063,1243 9.109,1244 0.51,1245 5.125,1246 0.104,1247 4.142,1248 4.564,1249 2.443,1250 19.897,1251 4.073,1252 1.928,1253 1.908,1254 2.025,1255 2.011,1256 1.342,1257 2.011,1258 1.923,1259 1.902,1260 2.004,1261 1.984,1262 1.15,1263 1.999,1264 1.842,1265 1.821,1266 1.941,1267 1.938,1268 1.079,1269 1.94,1270 1.658,1271 1.631,1272 1.813,1273 1.821,1274 0.978,1275 1.819,1276 1.331,1277 1.277,1278 1.604,1279 1.646,1280 0.63,1281 1.618,1282 1.285,1283 1.243,1284 1.568,1285 1.595,1286 0.581,1287 1.568,1288 1.187,1289 1.12,1290 1.428,1291 1.464,1292 0.569,1293 1.48,1294 1.02,1295 0.945,1296 1.276,1297 1.249,1298 0.485,1299 1.262,1300 4.369,1302 5.753,1303 3.045,1304 7.376,1305 5.733,1306 9.122,1307 8.138,1308 10.945,1310 2.577,1311 6.186,1315 -0.377,1318 10.417,1321 3.218,1322 -2.78,1324 10.31,1325 2.231,1326 39.019,1327 93.23,1328 201.216,1329 243.945,1330 278.965,1331 284.965,1332 290.965,1333 82.382,1334 8.476,1335 82.87,1336 82.87,1337 28,1338 13.659,1339 4.459,1340 3.807,1341 51.105,1342 100,1343 147,1344 0.241,1345 239.441,1346 430.21,1347 575.997,1348 49723,1349 1.8,1350 24.794,1351 0.708,1352 0.57,1353 25.294,1354 19.951,1355 16.939,1356 0.434,1357 0.292,1358 10.884,1359 15.967,1360 10.553,1361 8.697,1362 17.228,1363 11.397,1364 15.144,1365 0.257,1366 0.153,1367 15.552,1368 9.01,1369 14.022,1370 0.151,1371 0.078,1372 14.311,1373 7.284,1374 12.596,1375 0.085,1376 0.04,1377 12.763,1378 5.884,1379 12.017,1380 0.054,1381 0.021,1382 12.231,1383 4.656,1384 0.346,1385 109.601,1386 0.198,1387 30.082,1388 0.79,1389 196,1390 598.081,1391 228.503,1392 603.244,1393 813.16,1394 562,1395 250,1396 574.21,1397 277.887,1398 592.756,1399 882.29,1400 555,1401 5.562}
{0 CHEMBL1301273,1 1.575,2 15.172,3 4.156,4 17.269,5 111.796,6 7.519,7 0.4,8 4.027,9 4.149,10 3.571,11 3.581,12 5.229,13 3.554,14 4.527,15 4.698,16 3.9,17 3.928,18 5.769,19 3.881,20 4.829,21 5.031,22 3.887,23 4.049,24 6.023,25 3.959,26 4.963,27 5.257,28 3.681,29 3.955,30 5.962,31 3.827,32 4.702,33 4.948,34 3.791,35 3.841,36 5.872,37 3.768,38 4.719,39 4.908,40 3.712,41 3.783,42 6.107,43 3.734,44 4.626,45 4.863,46 3.561,47 3.756,48 5.736,49 3.658,50 4.611,51 4.859,52 3.696,53 3.792,54 6.01,55 3.685,56 0.055,57 0.848,58 10.173,59 5.082,60 11.227,61 6.289,62 0.227,63 1.315,64 18.668,65 8.183,66 30.453,67 10.483,68 0.353,69 1.662,70 27.402,71 10.826,72 72.214,73 13.749,74 0.716,75 1.574,76 36.41,77 11.002,78 116.308,79 15.541,80 0.247,81 1.228,82 25.484,83 9.31,84 47.477,85 12.904,86 0.72,87 1.233,88 26.457,89 8.199,90 129.921,91 9.897,92 0.392,93 1.19,94 23.888,95 8.352,96 72.738,97 11.094,98 0.709,99 1.199,100 23.849,101 8.758,102 132.062,103 12.338,104 37,105 40,106 0.263,107 0.558,108 0.661,109 0.698,110 0.698,111 0.698,112 3.406,113 0.916,114 -5.45,115 -5.33,116 -4.98,120 43.4,121 2,124 1,126 2,136 4,143 8,144 2,145 2,159 2,174 14,177 2,180 2,182 4,185 15,189 2,194 6,197 12,201 4,205 1,206 2,209 6,214 8,219 4,222 6,227 4,230 2,232 6,235 6,245 2,247 8,251 1,252 2,257 2,260 13,264 2,269 4,271 10,274 1634,275 18.723,276 18.723,277 18.723,278 18.723,279 18.723,280 16.65,281 15.132,282 11.164,283 18.896,284 14.76,285 14.76,286 14.76,287 14.76,288 14.76,289 11.562,290 15.208,291 5.374,292 15.047,293 4.152,294 2.382,295 1.764,296 1.538,297 1.538,298 1.538,299 4.069,306 1,307 1,308 906,309 4.69,313 248.992,320 2.592,321 40.424,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 64,333 440,334 4.2,335 3.485,336 6.706,337 4.184,338 3.191,339 3.659,340 1.058,341 10.877,342 3.168,343 4.051,344 3.452,345 5.426,346 3.62,347 2.633,348 3.659,349 1.058,350 7.192,351 2.6,352 4.047,353 3.161,354 5.425,355 3.617,356 2.631,357 3.221,359 7.19,360 2.597,361 3.724,362 2.915,363 5.037,364 3.341,365 2.343,366 3.018,368 6.088,369 2.325,370 3.696,371 2.915,372 5.012,373 3.309,374 2.308,375 2.973,377 6.028,378 2.299,379 3.401,380 2.355,381 4.859,382 3.005,383 2.049,384 2.658,386 5.605,387 1.933,388 3.392,389 2.355,390 4.851,391 2.999,392 2.038,393 2.64,395 5.586,396 1.929,397 2.5,398 1.351,399 3.689,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.431,416 1,417 3.414,418 1.886,419 0.933,420 1.194,422 2.187,423 0.886,424 2.409,425 1,426 3.248,427 1.764,428 0.796,429 1.121,431 1.826,432 0.766,433 1.821,434 0.992,435 3.058,436 1.474,437 0.471,438 0.608,440 1.063,441 0.465,442 1.548,443 0.97,444 2.803,445 1.294,446 0.308,447 0.36,449 0.682,450 0.299,451 1.165,452 0.38,453 2.334,454 0.732,455 -0.211,456 -0.275,458 -0.451,459 -0.192,460 1.165,461 0.37,462 2.285,463 0.727,464 -0.222,465 -0.292,467 -0.47,468 -0.202,469 13.538,470 0.467,471 0.854,472 0.029,473 35,474 1.207,475 18,476 0.621,477 17,478 0.586,479 23.804,480 0.821,481 32.062,482 0.605,483 28.336,484 0.977,485 7.358,486 0.254,487 6.374,488 0.22,489 0.165,490 0.037,491 0.222,494 2,496 0.573,497 1.012,498 0.768,499 1.056,500 0.543,501 0.98,502 0.581,503 1.009,504 0.809,505 1.065,506 0.526,507 1.012,508 0.966,509 1.211,510 1.168,511 1.302,512 0.932,513 1.294,514 0.926,515 0.614,516 0.97,517 0.683,518 0.861,519 0.785,520 0.585,521 0.821,522 0.654,523 0.985,524 0.584,525 0.869,526 1.613,527 0.867,528 1.375,529 0.965,530 1.815,531 1.089,532 0.958,533 0.855,534 1.058,535 0.987,536 0.99,537 1.032,538 0.239,539 0.624,540 0.665,541 0.846,542 0.25,543 0.867,544 8,545 0.239,546 3.333,547 0.875,548 1.724,549 0.792,550 0.325,551 0.58,552 0.337,553 0.129,554 12454,555 40892,556 1.93,557 45.3,558 6,559 16,562 2,567 1.712,568 1.785,569 3.844,570 0.194,572 1,575 83.499,576 1.575,577 3.346,578 3.964,579 4.19,580 4.19,581 4.19,582 3.341,583 3.617,584 4.828,585 4.052,586 1645.27,587 8.369,588 25039.8,590 1,592 1,593 303.58,594 1.581,595 4.765,596 0.267,597 0.011,598 0.083,599 0.024,600 0.059,601 0.023,602 0.011,603 0.022,604 0.011,605 0.005,606 0.518,607 0.33,608 0.88,609 0.638,610 153.964,611 -0.032,612 -0.017,613 0.006,614 0.014,615 -0.047,616 0.021,617 0.07,618 -0.055,619 0.04,620 -0.04,621 0.087,622 -0.018,623 -0.102,624 -0.231,625 -0.245,626 -0.302,627 -0.077,628 -0.313,629 -0.095,630 0.172,631 0.047,632 0.209,633 -0.086,634 0.184,635 0.073,636 -0.121,637 0.285,638 -0.028,639 0.11,640 0.14,641 -0.266,642 -0.06,643 -0.353,644 -0.058,645 -0.297,646 -0.202,647 -0.111,648 -0.04,649 -0.097,650 -0.039,651 -0.124,652 -0.057,653 0.457,654 0.181,655 0.282,656 0.133,657 0.455,658 0.152,659 1.997,660 4.954,661 0.414,662 36.542,663 1.009,664 1.134,665 4.225,666 17.851,667 0.659,668 3.434,669 3.714,670 3.761,671 3.829,672 4.078,673 3.829,674 3.714,675 3.892,676 3.761,677 3.638,678 8.711,679 0.633,680 398.49,681 3.434,682 4.949,683 5.72,684 6.55,685 7.34,686 8.163,687 8.961,688 9.781,689 10.583,690 11.401,691 3.8,698 2,709 8,714 4,716 12,737 2,738 53,739 16,740 2,741 30,743 54,744 23,745 12,746 4,747 8,748 6,752 2,753 2,759 2,760 1,768 18,769 5,772 4,778 2,780 4,782 2,786 1,787 2,789 24,790 6,791 2,792 6,797 2,803 1,804 2,823 2,838 2,845 4,855 2,859 2,861 2,862 29,869 2,871 2,876 1,885 2,886 3.8,889 2,893 16.25,894 9.869,895 6.417,896 2.946,898 2.802,899 1.421,900 0.931,901 8.145,902 9.456,903 3.714,904 4.22,905 4.62,906 4.996,907 5.542,908 5.502,909 5.569,910 5.892,911 5.885,912 5.546,913 1,914 36,915 10.745,917 4.465,918 8.164,919 19.802,921 15.444,924 2.664,925 77.25,927 1,928 1,929 258.964,930 169.599,931 36.022,933 50.29,934 29.92,936 169.599,937 309.254,938 65.942,939 17.65,940 40.233,941 113.715,942 59.699,943 24.613,944 29.92,945 258.964,947 258.964,948 205.621,949 80.21,952 288.884,953 50.29,956 57.883,957 109.832,958 37.905,960 288.884,961 86.311,962 169.599,965 258.964,966 38.234,967 131.365,968 36.022,969 80.21,970 258.964,971 116.232,972 169.599,973 0.58,974 0.298,975 0.13,976 0.087,977 15,978 8,979 0.148,980 8,982 1,983 4.213,984 215.641,986 12,987 104.881,993 22.355,994 10.566,995 8.738,997 116.232,998 11.635,1003 0.785,1005 36.022,1006 544.795,1007 40,1013 23.908,1015 5.967,1017 -0.546,1020 53.487,1021 60.077,1022 0.275,1023 0.584,1024 0.692,1025 0.732,1026 0.732,1027 0.732,1028 4.927,1029 1,1030 5.72,1031 5.586,1032 4.394,1033 4.905,1034 1.701,1035 6.435,1036 4.359,1037 6.13,1038 1,1039 7.236,1040 2.275,1041 4.111,1042 4.635,1044 7.476,1045 4.067,1046 7.417,1047 0.933,1048 8.853,1049 2.275,1050 5.974,1051 6.967,1052 1.795,1053 10.288,1054 5.915,1055 8.731,1056 0.796,1057 10.531,1058 2.187,1059 6.431,1060 7.371,1062 12.164,1063 6.371,1064 10.067,1065 0.471,1066 12.251,1067 1.826,1068 7.828,1069 9.242,1070 1.89,1071 14.617,1072 7.756,1073 11.417,1074 0.308,1075 14.002,1076 1.063,1077 8.621,1078 9.959,1080 16.823,1081 8.548,1082 12.778,1083 -0.211,1084 15.779,1085 0.682,1086 9.845,1087 11.619,1088 1.987,1089 19.207,1090 9.763,1091 3.191,1092 -0.222,1093 17.577,1094 -0.451,1095 10.808,1096 12.522,1098 21.533,1099 10.724,1100 2.633,1101 10.877,1102 19.393,1103 -0.47,1104 11.968,1105 14.058,1106 2.086,1107 23.911,1108 11.877,1109 2.631,1110 7.192,1111 21.225,1112 3.659,1113 13.021,1114 15.084,1116 26.276,1117 12.926,1118 2.343,1119 7.19,1120 23.07,1121 3.659,1122 14.162,1123 16.541,1124 2.186,1125 28.657,1126 14.061,1127 2.308,1128 6.088,1129 24.926,1130 3.221,1131 15.262,1132 17.651,1134 31.036,1135 15.156,1136 2.049,1137 6.028,1138 26.792,1139 3.018,1140 16.401,1141 19.055,1142 2.287,1143 33.42,1144 16.289,1145 2.038,1146 5.605,1147 28.664,1148 2.973,1149 17.526,1150 20.224,1152 35.804,1153 17.408,1154 12366,1155 22554,1156 19.068,1157 34.932,1158 44.775,1159 46.184,1160 44.553,1161 43.507,1162 43.403,1163 56.219,1164 4.233,1165 117.751,1166 42.534,1167 5.123,1168 5.485,1169 6.121,1170 5.208,1171 5.191,1172 6.659,1173 2.117,1174 16.755,1175 5.168,1176 17.676,1177 1.492,1178 1.539,1179 1.485,1180 1.45,1181 1.447,1182 1.874,1183 0.141,1184 3.925,1185 1.418,1186 3.962,1187 3.993,1188 3.903,1189 3.888,1190 8.203,1191 3.886,1192 3.919,1193 3.945,1194 3.867,1195 3.855,1196 8.2,1197 3.853,1198 3.814,1199 3.868,1200 3.71,1201 3.68,1202 7.432,1203 3.676,1204 3.587,1205 3.623,1206 3.53,1207 3.41,1208 7.428,1209 3.43,1210 3.501,1211 3.536,1212 3.416,1213 3.363,1214 4.696,1215 3.37,1216 3.127,1217 3.202,1218 3.029,1219 2.9,1220 4.672,1221 2.922,1222 3.069,1223 3.15,1224 2.967,1225 2.837,1226 4.376,1227 2.856,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 4.135,1233 2.715,1234 0.14,1235 0.116,1236 0.224,1237 0.139,1238 0.106,1239 4.2,1240 0.122,1241 3.485,1242 0.035,1243 6.706,1244 0.363,1245 4.184,1246 0.106,1247 3.191,1248 3.659,1249 1.058,1250 10.877,1251 3.168,1252 1.915,1253 1.891,1254 2.031,1255 2.016,1256 1.311,1257 2.021,1258 1.912,1259 1.889,1260 2.015,1261 1.998,1262 1.092,1263 2.004,1264 1.797,1265 1.742,1266 1.996,1267 1.957,1268 1.091,1269 1.971,1270 1.508,1271 1.475,1272 1.652,1273 1.726,1274 0.68,1275 1.7,1276 1.46,1277 1.427,1278 1.624,1279 1.64,1280 0.634,1281 1.636,1282 1.071,1283 0.994,1284 1.417,1285 1.329,1286 0.503,1287 1.344,1288 1.027,1289 0.942,1290 1.379,1291 1.303,1292 0.489,1293 1.332,1294 0.934,1295 0.821,1296 1.357,1297 1.239,1298 0.469,1299 1.308,1300 4.111,1302 5.398,1304 6.843,1306 8.35,1308 9.888,1310 3.835,1312 25.73,1315 0.725,1317 5.574,1322 -0.362,1326 33.561,1327 83.499,1328 177.341,1329 210.07,1330 222.07,1331 222.07,1332 222.07,1333 94.361,1334 6.654,1335 58.2,1336 58.2,1337 12,1338 11.986,1339 4.087,1340 3.459,1341 66.128,1342 150,1343 144,1344 0.203,1345 211.311,1346 385.26,1347 507.359,1348 7294,1349 3.8,1350 21.278,1351 0.734,1352 0.566,1353 19.537,1354 16.415,1355 13.732,1356 0.458,1357 0.305,1358 9.046,1359 13.222,1360 8.747,1361 7.356,1362 12.944,1363 9.165,1364 12.858,1365 0.321,1366 0.184,1367 11.615,1368 7.37,1369 9.034,1370 0.215,1371 0.097,1372 8.213,1373 4.077,1374 5.964,1375 0.133,1376 0.052,1377 5.68,1378 2.325,1379 5.537,1380 0.095,1381 0.028,1382 4.969,1383 1.639,1384 0.337,1385 86.187,1386 0.229,1387 28.846,1388 0.509,1389 140,1390 536.359,1391 155.532,1392 469.412,1393 599.18,1394 432,1395 152,1396 403.32,1397 164.806,1398 401.497,1399 568.02,1400 374,1401 5.427}
{0 CHEMBL1301437,1 2.011,2 8.474,3 4.229,4 17.882,5 80.881,6 11.988,7 0.3,8 3.452,9 3.521,10 3.469,11 3.179,12 4.651,13 3.115,14 3.939,15 4.049,16 3.86,17 3.528,18 5.201,19 3.445,20 4.078,21 4.204,22 3.888,23 3.563,24 5.396,25 3.457,26 4.051,27 4.204,28 3.899,29 3.515,30 5.254,31 3.373,32 3.94,33 4.089,34 3.83,35 3.464,36 5.15,37 3.342,38 3.963,39 4.084,40 3.844,41 3.462,42 5.267,43 3.3,44 3.771,45 3.975,46 3.294,47 3.13,48 4.904,49 2.948,50 3.331,51 3.414,52 3.549,53 2.846,54 4.962,55 2.735,56 0.101,57 0.367,58 0.035,59 1.929,60 7.789,61 2.127,62 0.284,63 0.617,64 7.924,65 3.971,66 19.951,67 3.828,68 0.424,69 0.631,70 10.668,71 4.9,72 43.598,73 4.633,74 0.433,75 0.642,76 19.951,77 5.667,78 29.221,79 5.272,80 0.297,81 0.582,82 14.941,83 5.096,84 18.989,85 4.87,86 0.392,87 0.52,88 13.075,89 4.938,90 39.225,91 4.47,92 0.328,93 0.429,94 21.516,95 5.288,96 30.628,97 5.626,98 0.256,99 0.216,100 8.04,101 2.546,102 26.709,103 2.331,104 20,105 27,106 0.392,107 0.74,108 0.862,109 0.909,110 0.909,111 0.909,112 3.01,113 1.122,114 -5.2,115 -5.09,116 -4.76,120 42.9,126 2,138 2,143 3,144 1,145 2,159 1,160 1,174 2,176 2,177 3,185 7,189 3,197 3,200 1,201 5,209 4,214 2,222 2,227 5,235 3,240 1,247 1,252 4,260 2,271 3,274 432,275 12.593,276 12.593,277 12.593,278 12.593,279 12.593,280 11.22,281 13.553,282 7.44,283 13.251,284 9.793,285 9.793,286 9.793,287 9.793,288 9.793,289 7.654,290 12.669,291 3.469,292 10.999,293 2.797,294 1.013,295 0.384,296 0.143,297 0.143,298 0.143,299 3.662,300 1,303 2,306 1,307 1,308 328,309 2.915,312 55.547,313 61.749,320 1.235,321 20.491,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 41,333 161,334 4.274,335 4.558,336 6.249,337 3.886,338 2.975,339 3.887,340 3.661,341 9.432,342 2.708,343 4.117,344 3.61,345 5.985,346 3.658,347 2.758,348 3.461,349 2.098,350 8.485,351 2.455,352 3.577,353 3.281,354 5.026,355 3.224,356 2.255,357 2.805,358 0.92,359 6.015,360 2.14,361 3.431,362 2.913,363 4.932,364 2.963,365 2.085,366 2.665,367 0.544,368 5.682,369 1.746,370 2.86,371 2.741,372 4.301,373 2.382,374 1.505,375 1.98,376 0.247,377 3.982,378 1.248,379 2.819,380 2.379,381 4.025,382 2.137,383 1.244,384 1.732,386 3.33,387 1.087,388 2.384,389 1.903,390 3.45,391 1.98,392 1.114,393 1.327,395 2.451,396 0.938,397 1.505,398 1.815,399 2.931,400 1.16,401 0.353,402 0.382,404 0.717,405 0.233,406 1.486,407 1.023,408 2.737,409 1.013,410 0.289,411 0.33,413 0.474,414 0.181,415 1.23,416 0.796,417 2.359,418 0.597,419 -0.312,420 -0.423,422 -0.724,423 -0.254,424 0.799,425 0.256,426 2.183,427 0.283,428 -0.514,429 -0.621,431 -1.242,432 -0.293,433 0.55,434 0.141,435 1.834,436 0.207,437 -0.677,438 -0.827,440 -1.808,441 -0.557,442 0.154,443 -0.037,444 1.531,445 -0.334,446 -1.173,447 -1.447,449 -2.844,450 -0.986,451 0.005,452 -0.433,453 1.39,454 -0.503,455 -1.351,456 -1.662,458 -3.228,459 -1.149,460 -0.23,461 -0.874,462 1.326,463 -0.677,464 -1.482,465 -1.732,467 -3.827,468 -1.263,469 10.11,470 0.532,471 0.489,472 0.026,473 22.25,474 1.171,475 10,476 0.526,477 12.25,478 0.645,479 15.905,480 0.837,481 19.89,482 0.71,483 13.666,484 0.719,485 4.299,486 0.226,487 4.798,488 0.253,489 0.245,491 0.287,496 0.614,497 1.254,498 0.526,499 0.719,500 0.543,501 0.728,502 0.771,503 1.097,504 0.829,505 0.926,506 0.628,507 0.854,508 0.994,509 1.144,510 0.955,511 1.001,512 0.976,513 1.067,514 0.805,515 1.018,516 1.008,517 1.124,518 0.737,519 1.077,520 0.787,521 0.98,522 0.721,523 0.896,524 0.751,525 0.82,526 1.175,527 1.075,528 1.053,529 1.093,530 1.436,531 1.217,532 1.075,533 0.768,534 1.228,535 1.067,536 0.944,537 0.986,538 1.256,539 0.978,540 0.97,541 0.921,542 1.56,543 0.935,544 4.5,545 0.029,546 2.222,547 1.132,548 1.003,549 0.5,550 0.363,551 0.277,552 0.126,553 0.081,554 2999,555 14847,556 1.965,557 32.1,559 7,560 2,567 1.604,568 1.81,569 3.065,570 -0.621,572 1,575 56.302,576 2.011,577 3.794,578 4.423,579 4.664,580 4.664,581 4.664,582 2.505,583 3.932,584 4.219,585 3.177,586 543.286,587 7.19,588 5378.14,590 1,592 1,593 134.606,594 1.509,595 4.159,596 0.225,597 0.01,598 0.082,599 0.045,600 0.046,601 0.022,602 0.019,603 0.021,604 0.01,605 0.014,606 0.494,607 0.5,608 1,609 1.368,610 82.575,611 -0.048,612 -0.206,614 -0.015,615 -0.043,616 -0.02,617 -0.019,618 -0.005,619 -0.088,620 -0.071,621 0.02,622 -0.035,623 -0.076,624 -0.149,625 -0.126,626 -0.136,627 -0.035,628 -0.183,629 0.054,630 0.032,631 -0.049,632 -0.112,633 -0.017,634 -0.092,635 0.002,636 0.07,637 0.106,638 0.114,639 0.046,640 0.161,641 -0.152,642 -0.135,643 -0.093,644 -0.103,645 -0.271,646 -0.269,647 -0.126,648 0.121,649 -0.096,650 0.067,651 -0.049,652 0.226,653 0.16,654 -0.179,655 0.204,656 0.038,657 0.174,659 2.028,660 4.247,661 0.579,662 12.909,663 1.036,664 1.108,665 3.97,666 15.76,667 0.803,668 3.045,669 3.332,670 3.526,671 3.714,672 3.829,673 3.807,674 3.784,675 3.807,676 3.689,677 3.638,678 5.001,679 0.752,680 335.65,681 3.045,682 4.554,683 5.371,684 6.225,685 7.064,686 7.922,687 8.77,688 9.629,689 10.481,690 11.342,691 7.1,694 1,700 1,709 3,714 3,716 6,737 2,738 28,739 9,740 1,741 20,743 29,744 12,745 6,746 3,747 3,748 2,750 1,752 2,753 2,754 3,759 1,768 10,769 2,772 3,778 1,780 2,781 1,782 2,786 1,789 9,790 3,792 7,793 4,797 2,803 1,804 1,822 1,823 1,851 1,855 2,856 1,857 1,860 3,862 19,869 2,873 1,875 1,885 3,886 3.6,889 1,893 10.5,894 5.079,895 4.306,896 1.466,898 1.952,899 1.317,900 0.958,901 5.303,902 8.101,903 3.296,904 3.818,905 4.266,906 4.708,907 5.103,908 5.187,909 5.264,910 5.557,911 5.73,912 5.961,913 0.833,914 25,915 6.955,917 2.867,918 8,919 12.922,921 10.129,924 2.5,925 47.5,929 105.94,930 98.077,931 19.91,932 117.446,933 25.145,935 32.22,936 65.857,937 248.531,938 19.91,940 21.844,941 28.429,942 29.85,943 30.097,944 24.235,945 153.766,946 78.297,947 105.94,948 85.767,949 25.145,950 149.665,952 105.94,953 25.145,956 24.865,957 60.902,958 117.446,959 32.22,960 105.94,961 45.055,962 215.523,965 105.94,966 52.759,967 48.442,969 159.376,970 105.94,971 45.055,972 215.523,973 0.574,974 0.328,975 0.164,976 0.087,977 12,978 6,979 0.103,980 3,982 1,983 3.102,984 130.831,986 11,987 80.711,989 1,993 14.881,994 6.771,995 3.971,997 45.055,998 5.311,1003 2.08,1006 366.518,1007 26,1013 11.247,1015 3.695,1016 3.922,1017 0.233,1020 28.996,1021 31.034,1022 0.418,1023 0.789,1024 0.92,1025 0.97,1026 0.97,1027 0.97,1028 4.516,1029 0.353,1030 5.352,1031 2.451,1032 4.007,1033 4.5,1034 3.607,1035 6.111,1036 3.783,1037 5.711,1038 0.289,1039 6.887,1040 0.717,1041 3.611,1042 4.27,1043 2.457,1044 6.917,1045 3.26,1046 7.003,1047 -0.312,1048 8.516,1049 0.474,1050 5.557,1051 6.58,1052 5.878,1053 9.956,1054 5.158,1055 8.327,1056 -0.514,1057 10.199,1058 -0.724,1059 5.943,1060 7.106,1061 5.163,1062 11.555,1063 5.391,1064 9.677,1065 -0.677,1066 11.916,1067 -1.242,1068 7.372,1069 8.92,1070 8.366,1071 14.105,1072 6.793,1073 11.045,1074 -1.173,1075 13.657,1076 -1.808,1077 8.116,1078 9.807,1079 7.927,1080 16.044,1081 7.379,1082 12.427,1083 -1.351,1084 15.414,1085 -2.844,1086 9.336,1087 11.402,1088 10.902,1089 18.406,1090 8.564,1091 2.975,1092 -1.482,1093 17.184,1094 -3.228,1095 10.249,1096 12.483,1097 10.69,1098 20.498,1099 9.328,1100 2.758,1101 9.432,1102 18.964,1103 -3.827,1104 11.381,1105 13.967,1106 13.453,1107 22.782,1108 10.41,1109 2.255,1110 8.485,1111 20.752,1112 3.887,1113 12.376,1114 15.156,1115 13.429,1116 24.945,1117 11.27,1118 2.085,1119 6.015,1120 22.546,1121 3.461,1122 13.472,1123 16.581,1124 16.01,1125 27.196,1126 12.301,1127 1.505,1128 5.682,1129 24.345,1130 2.805,1131 14.506,1132 17.833,1133 16.143,1134 29.393,1135 13.214,1136 1.244,1137 3.982,1138 26.147,1139 2.665,1140 15.587,1141 19.225,1142 18.571,1143 31.631,1144 14.219,1145 1.114,1146 3.33,1147 27.953,1148 1.98,1149 16.642,1150 20.516,1151 18.836,1152 33.845,1153 15.163,1154 3112,1155 7002,1156 12.83,1157 22.494,1158 29.505,1159 33.292,1160 30.672,1161 29.233,1162 29.156,1163 37.137,1164 14.942,1165 81.136,1166 25.47,1167 5.154,1168 6.558,1169 5.803,1170 4.996,1171 4.975,1172 6.887,1173 7.142,1174 15.911,1175 4.708,1176 10.616,1177 1.475,1178 1.665,1179 1.534,1180 1.462,1181 1.458,1182 1.857,1183 0.747,1184 4.057,1185 1.274,1186 3.948,1187 3.972,1188 4.116,1189 3.896,1190 7.431,1191 3.884,1192 3.744,1193 3.771,1194 4.011,1195 3.664,1196 5.017,1197 3.625,1198 3.477,1199 3.505,1200 3.771,1201 3.313,1202 4.706,1203 3.312,1204 3.092,1205 3.137,1206 3.592,1207 3.022,1208 4.633,1209 2.986,1210 2.878,1211 2.922,1212 3.183,1213 2.795,1214 4.588,1215 2.767,1216 2.802,1217 2.866,1218 3.07,1219 2.624,1220 4.105,1221 2.616,1222 2.529,1223 2.571,1224 2.798,1225 2.395,1226 4.005,1227 2.344,1228 2.305,1229 2.292,1230 2.548,1231 2.069,1232 3.487,1233 2.044,1234 0.214,1235 0.228,1236 0.312,1237 0.194,1238 0.149,1239 4.274,1240 0.194,1241 4.558,1242 0.183,1243 6.249,1244 0.472,1245 3.886,1246 0.135,1247 2.975,1248 3.887,1249 3.661,1250 9.432,1251 2.708,1252 1.9,1253 1.883,1254 1.968,1255 1.972,1256 1.163,1257 1.984,1258 1.512,1259 1.478,1260 1.623,1261 1.738,1262 0.759,1263 1.711,1264 1.414,1265 1.375,1266 1.543,1267 1.581,1268 0.713,1269 1.593,1270 1.175,1271 1.145,1272 1.332,1273 1.287,1274 0.518,1275 1.346,1276 0.884,1277 0.848,1278 1.098,1279 1.052,1280 0.171,1281 1.081,1282 0.865,1283 0.824,1284 0.94,1285 1.012,1286 0.12,1287 1.053,1288 0.434,1289 0.375,1290 0.662,1291 0.66,1293 0.681,1294 0.183,1295 0.164,1296 0.437,1297 0.518,1299 0.517,1300 3.714,1302 5.004,1303 2.398,1304 6.472,1305 4.595,1306 8.024,1307 6.555,1308 9.621,1311 17.41,1315 0.396,1319 1.369,1321 1.838,1326 21.061,1327 56.302,1328 106.241,1329 123.851,1330 130.606,1331 130.606,1332 130.606,1333 32.146,1334 6.148,1335 34.36,1336 62.6,1337 11,1338 11.894,1339 3.322,1340 2.807,1341 33.616,1342 56,1343 56,1344 0.301,1345 147.242,1346 259.63,1347 351.03,1348 3127,1349 10.7,1350 13.828,1351 0.728,1352 0.67,1353 15.682,1354 12.73,1355 9.097,1356 0.455,1357 0.374,1358 5.437,1359 7.495,1360 5.107,1361 4.184,1362 10.482,1363 7.483,1364 8.091,1365 0.3,1366 0.21,1367 9.658,1368 5.672,1369 6.433,1370 0.195,1371 0.12,1372 8.037,1373 3.96,1374 4.885,1375 0.122,1376 0.069,1377 6.396,1378 2.75,1379 3.588,1380 0.08,1381 0.038,1382 4.627,1383 1.701,1384 0.462,1385 70.921,1386 0.279,1387 18.983,1388 0.847,1389 94,1390 338.496,1391 166.788,1392 434.254,1393 545.86,1394 402,1395 107,1396 299.179,1397 162.557,1398 342.91,1399 498.87,1400 319,1401 6.442}
{0 CHEMBL1301700,1 2.02,2 9.462,3 4.239,4 17.973,5 95.377,6 9.777,7 0.393,8 3.848,9 3.928,10 3.67,11 3.415,12 5.058,13 3.406,14 4.4,15 4.524,16 4.05,17 3.78,18 5.869,19 3.754,20 4.488,21 4.628,22 4.061,23 3.829,24 5.758,25 3.804,26 4.572,27 4.711,28 4.119,29 3.917,30 5.808,31 3.891,32 4.765,33 4.946,34 4.147,35 3.98,36 6.064,37 3.921,38 4.666,39 4.851,40 4.11,41 3.894,42 5.937,43 3.823,44 4.585,45 4.765,46 4.082,47 3.818,48 5.877,49 3.723,50 4.453,51 4.645,52 3.88,53 3.593,54 5.752,55 3.513,56 0.218,57 0.708,58 4.695,59 4.058,60 22.148,61 3.934,62 0.965,63 1.202,64 17.239,65 7.081,66 98.801,67 6.661,68 0.722,69 1.138,70 17.244,71 7.129,72 64.097,73 7.281,74 0.622,75 1.316,76 16.727,77 8.068,78 52.939,79 8.19,80 1.176,81 1.471,82 25.951,83 10.294,84 99.721,85 10.769,86 0.961,87 1.325,88 26.384,89 10.002,90 96.745,91 10.286,92 1.001,93 1.166,94 33.281,95 10.126,96 110.746,97 9.602,98 0.917,99 1.017,100 24.33,101 7.942,102 81.785,103 8.33,104 39,105 39,106 0.357,107 0.681,108 0.842,109 0.901,110 0.901,111 0.901,112 3.305,113 0.971,114 -4.08,115 -4.03,116 -3.81,120 41.5,122 1,125 1,126 1,128 1,130 1,143 5,144 1,145 2,152 1,153 1,158 1,159 1,167 1,174 4,176 1,177 5,185 5,188 2,189 11,197 5,201 11,209 2,213 1,214 5,222 4,226 2,227 4,235 7,239 2,240 1,247 7,251 1,252 3,260 2,264 4,274 1048,275 17.533,276 17.533,277 17.533,278 17.533,279 17.533,280 15.913,281 20.703,282 10.267,283 18.415,284 13.696,285 13.696,286 13.696,287 13.696,288 13.696,289 11.093,290 26.743,291 4.702,292 15.067,293 3.338,294 1.504,295 0.594,296 0.262,297 0.262,298 0.262,299 3.98,300 1,306 1,307 1,308 514,309 3.536,312 154.907,313 86.763,320 1.462,321 39.637,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59.333,333 246,334 4.429,335 3.817,336 6.73,337 4.167,338 3.203,339 3.962,340 2.621,341 10.993,342 3.084,343 4.238,344 3.522,345 6.189,346 3.823,347 2.886,348 3.788,349 2.093,350 9.228,351 2.706,352 3.969,353 3.285,354 6.055,355 3.602,356 2.672,357 3.289,358 0.86,359 8.709,360 2.475,361 3.603,362 3.068,363 5.614,364 3.288,365 2.327,366 2.857,367 0.782,368 7.204,369 2.229,370 3.307,371 2.8,372 4.769,373 2.884,374 2.077,375 2.539,376 0.627,377 5.288,378 1.718,379 3.141,380 2.12,381 4.604,382 2.75,383 1.817,384 2.203,385 0.313,386 4.766,387 1.613,388 2.827,389 2.03,390 4.233,391 2.415,392 1.496,393 1.915,394 0.302,395 3.759,396 1.353,397 2.622,398 1.912,399 4.152,400 2.267,401 1.322,402 1.628,404 3.472,405 1.223,406 2.258,407 1.686,408 3.764,409 1.827,410 0.871,411 1.084,413 2.366,414 0.811,415 2.118,416 1.162,417 3.255,418 1.669,419 0.745,420 0.927,422 1.84,423 0.671,424 1.949,425 0.941,426 3,427 1.461,428 0.618,429 0.901,431 1.372,432 0.506,433 1.72,434 0.916,435 2.957,436 1.412,437 0.532,438 0.614,440 0.956,441 0.463,442 1.458,443 0.618,444 2.685,445 0.901,446 0.154,447 0.18,449 0.212,450 0.088,451 1.16,452 0.618,453 2.433,454 0.835,455 -0.029,456 -0.033,458 -0.058,459 -0.025,460 0.586,461 0.51,462 2.323,463 0.176,464 -0.744,465 -0.873,467 -1.946,468 -0.662,469 12.419,470 0.478,471 0.644,472 0.025,473 30.75,474 1.183,475 14,476 0.538,477 16.75,478 0.644,479 22.811,480 0.877,481 28.981,482 0.707,483 24.227,484 0.932,485 6.275,486 0.241,487 6.253,488 0.241,489 0.171,491 0.354,493 2,496 0.638,497 0.971,498 0.575,499 0.933,500 0.572,501 0.879,502 0.762,503 0.756,504 0.932,505 0.837,506 0.619,507 0.852,508 0.638,509 0.81,510 0.791,511 0.979,512 0.544,513 0.983,514 0.773,515 1.044,516 0.798,517 1.095,518 0.652,519 1.093,520 0.874,521 0.897,522 0.869,523 0.856,524 0.824,525 1.009,526 0.988,527 0.896,528 0.945,529 0.905,530 1.011,531 0.974,532 1.1,533 0.873,534 1.241,535 1.025,536 1.14,537 0.988,538 0.887,539 0.816,540 1.105,541 1.025,542 0.941,543 1.089,544 5.5,545 0.106,546 3.111,547 1.438,548 1.973,549 1.216,550 0.599,551 0.5,552 0.29,553 0.201,554 7008,555 30206,556 2.014,557 36.6,559 11,560 1,561 1,563 2,567 1.697,568 1.857,569 3.234,570 -0.646,572 1,575 82.815,576 2.02,577 3.854,578 4.763,579 5.095,580 5.095,581 5.095,582 2.701,583 4.316,584 4.668,585 3.393,586 1102.64,587 8.125,588 13552.7,590 1,592 1,593 219.66,594 1.502,595 4.615,596 0.196,597 0.008,598 0.08,599 0.037,600 0.047,601 0.03,602 0.017,603 0.016,604 0.012,605 0.011,606 0.453,607 0.33,608 1,609 1.282,610 125.622,611 -0.023,612 -0.047,613 0.032,614 -0.03,615 -0.061,616 -0.018,617 0.154,618 0.237,619 -0.079,620 0.123,621 0.167,622 0.042,623 0.041,624 -0.036,625 -0.042,626 -0.09,627 0.034,628 -0.079,629 -0.081,630 -0.2,631 -0.079,632 -0.204,633 -0.032,634 -0.181,635 0.001,636 -0.026,637 -0.026,638 0.03,639 0.003,640 -0.036,641 -0.084,642 -0.01,643 0.03,644 0.055,645 -0.08,646 0.039,647 -0.118,648 0.053,649 -0.039,650 0.079,651 -0.13,652 0.051,653 0.065,654 0.026,655 0.012,656 -0.06,657 -0.045,658 -0.065,659 4.288,660 5.215,661 0.615,662 24.024,663 1.041,664 1.134,665 2.851,666 8.129,667 0.704,668 3.367,669 3.689,670 3.97,671 4.248,672 4.431,673 4.595,674 4.718,675 4.836,676 4.875,677 4.812,678 5.832,679 0.687,680 400.86,681 3.367,682 4.905,683 5.759,684 6.645,685 7.526,686 8.42,687 9.312,688 10.211,689 11.108,690 12.01,691 4.9,698 1,700 1,709 6,713 1,714 4,716 11,735 2,738 41,739 13,740 1,741 28,743 43,744 17,745 10,746 3,747 3,748 1,750 1,752 3,753 3,754 1,755 1,759 1,763 2,766 2,768 12,769 5,772 2,778 1,781 1,782 2,786 1,787 2,789 15,790 7,792 9,793 2,797 2,803 1,804 3,822 2,823 1,855 3,857 1,859 1,860 1,861 2,862 26,869 2,872 2,874 2,875 1,880 1,885 3,886 7.3,889 1,891 2,893 14,894 7.662,895 5.889,896 2.193,898 2.122,899 1.3,900 0.955,901 6.222,902 9.2,903 3.597,904 4.139,905 4.669,906 5.195,907 5.573,908 5.892,909 6.204,910 6.549,911 6.839,912 7.006,913 1,914 39,915 9.72,917 4.214,918 8.216,919 17.633,921 14.168,924 2.716,925 70.611,928 1,929 176.567,930 135.24,931 19.665,932 39.149,933 47.145,934 29.92,935 31.278,936 103.962,937 262.86,938 49.585,939 10.883,940 8.386,941 55.03,942 44.377,943 82.255,944 13.13,945 223.451,946 10.173,947 176.567,948 123.627,949 77.065,950 70.426,952 176.567,953 77.065,956 35.221,957 88.406,958 39.149,959 31.278,960 206.487,961 66.81,962 174.389,965 186.739,966 59.154,967 68.915,969 132.877,970 176.567,971 96.73,972 174.389,973 0.574,974 0.339,975 0.188,976 0.102,977 18,978 9,979 0.093,980 4,982 1,983 3.655,984 219.105,986 16,987 120.211,989 1,993 19.21,994 8.421,995 4.244,997 96.73,998 10.347,1002 1.526,1003 1.742,1006 447.685,1007 35.5,1013 12.215,1016 4.42,1017 0.436,1020 42.68,1021 46.49,1022 0.377,1023 0.719,1024 0.889,1025 0.951,1026 0.951,1027 0.951,1028 4.842,1029 1.322,1030 5.753,1031 3.759,1032 4.369,1033 4.824,1034 3.163,1035 6.583,1036 4.216,1037 6.033,1038 0.871,1039 7.326,1040 3.472,1041 4.007,1042 4.575,1043 2.814,1044 7.535,1045 3.813,1046 7.333,1047 0.745,1048 8.999,1049 2.366,1050 5.979,1051 6.922,1052 4.467,1053 10.638,1054 5.726,1055 8.669,1056 0.618,1057 10.731,1058 1.84,1059 6.447,1060 7.501,1061 4.926,1062 12.412,1063 6.154,1064 10.037,1065 0.532,1066 12.5,1067 1.372,1068 7.883,1069 9.3,1070 6.115,1071 15.03,1072 7.552,1073 11.426,1074 0.154,1075 14.294,1076 0.956,1077 8.715,1078 10.254,1079 6.867,1080 17.137,1081 8.341,1082 12.831,1083 -0.029,1084 16.107,1085 0.212,1086 9.955,1087 11.826,1088 7.9,1089 19.592,1090 9.55,1091 3.203,1092 -0.744,1093 17.932,1094 -0.058,1095 10.951,1096 12.969,1097 8.77,1098 21.846,1099 10.505,1100 2.886,1101 10.993,1102 19.769,1103 -1.946,1104 12.119,1105 14.435,1106 9.75,1107 24.245,1108 11.643,1109 2.672,1110 9.228,1111 21.613,1112 3.962,1113 13.191,1114 15.676,1115 10.669,1116 26.567,1117 12.676,1118 2.327,1119 8.709,1120 23.464,1121 3.788,1122 14.335,1123 17.091,1124 11.632,1125 28.949,1126 13.789,1127 2.077,1128 7.204,1129 25.32,1130 3.289,1131 15.444,1132 18.383,1133 12.573,1134 31.304,1135 14.861,1136 1.817,1137 5.288,1138 27.182,1139 2.857,1140 16.583,1141 19.773,1142 13.532,1143 33.685,1144 15.969,1145 1.496,1146 4.766,1147 29.047,1148 2.539,1149 17.71,1150 21.095,1151 14.484,1152 36.057,1153 17.061,1154 7016,1155 14673,1156 18.205,1157 28.847,1158 42.312,1159 42.838,1160 43.785,1161 41.44,1162 41.441,1163 51.771,1164 15.197,1165 120.332,1166 37.88,1167 5.34,1168 5.817,1169 6.326,1170 5.252,1171 5.203,1172 6.962,1173 4.288,1174 18.113,1175 5.084,1176 14.705,1177 1.511,1178 1.53,1179 1.564,1180 1.48,1181 1.48,1182 1.849,1183 0.543,1184 4.298,1185 1.353,1186 4.021,1187 4.049,1188 4.234,1189 3.965,1190 8.365,1191 3.935,1192 3.856,1193 3.865,1194 3.938,1195 3.841,1196 7.999,1197 3.801,1198 3.66,1199 3.688,1200 3.801,1201 3.494,1202 7.428,1203 3.506,1204 3.401,1205 3.43,1206 3.55,1207 3.228,1208 4.909,1209 3.222,1210 3.323,1211 3.368,1212 3.312,1213 2.968,1214 4.777,1215 3.017,1216 3.231,1217 3.297,1218 3.06,1219 2.939,1220 4.655,1221 2.971,1222 2.828,1223 2.886,1224 2.916,1225 2.684,1226 4.473,1227 2.688,1228 2.739,1229 2.801,1230 2.744,1231 2.591,1232 4.392,1233 2.576,1234 0.158,1235 0.136,1236 0.24,1237 0.149,1238 0.114,1239 4.429,1240 0.141,1241 3.817,1242 0.094,1243 6.73,1244 0.393,1245 4.167,1246 0.11,1247 3.203,1248 3.962,1249 2.621,1250 10.993,1251 3.084,1252 1.907,1253 1.89,1254 2.001,1255 2.012,1256 1.239,1257 2.006,1258 1.601,1259 1.578,1260 1.724,1261 1.747,1262 0.934,1263 1.723,1264 1.488,1265 1.456,1266 1.626,1267 1.703,1268 0.773,1269 1.702,1270 1.418,1271 1.393,1272 1.559,1273 1.541,1274 0.678,1275 1.564,1276 1.228,1277 1.199,1278 1.542,1279 1.528,1280 0.584,1281 1.523,1282 1.168,1283 1.103,1284 1.285,1285 1.466,1286 0.552,1287 1.439,1288 1.038,1289 0.993,1290 1.2,1291 1.281,1292 0.273,1293 1.311,1294 0.837,1295 0.776,1296 1.09,1297 1.012,1298 0.186,1299 1.067,1300 4.043,1302 5.361,1303 3.045,1304 6.864,1305 5.283,1306 8.456,1307 7.31,1308 10.099,1310 1.362,1311 5.713,1312 24.996,1315 0.281,1318 9.587,1320 -3.35,1321 1.338,1326 28.183,1327 82.815,1328 158.011,1329 195.295,1330 208.905,1331 208.905,1332 208.905,1333 57.696,1334 7.078,1335 51.13,1336 79.37,1337 16,1338 12.532,1339 3.807,1340 3.087,1341 44.043,1342 88,1343 92,1344 0.245,1345 178.606,1346 319.53,1347 427.558,1348 9391,1349 7.3,1350 18.681,1351 0.719,1352 0.587,1353 17.958,1354 15.267,1355 12.528,1356 0.447,1357 0.324,1358 7.591,1359 11.014,1360 7.319,1361 5.992,1362 12.48,1363 9.067,1364 11.12,1365 0.285,1366 0.17,1367 10.686,1368 6.62,1369 9.226,1370 0.177,1371 0.097,1372 9.979,1373 5.022,1374 7.625,1375 0.111,1376 0.052,1377 8.032,1378 3.581,1379 5.785,1380 0.07,1381 0.027,1382 5.807,1383 2.213,1384 0.374,1385 88.788,1386 0.234,1387 24.732,1388 0.703,1389 134,1390 597.783,1391 191.113,1392 553.374,1393 711.99,1394 518,1395 158,1396 447.895,1397 204.83,1398 459.768,1399 683.33,1400 427,1401 5.517}
{0 CHEMBL1301855,1 1.692,2 12.056,3 4.273,4 18.256,5 135.456,6 8.321,7 0.59,8 4.221,9 4.306,10 3.99,11 3.78,12 5.397,13 3.763,14 4.729,15 4.86,16 4.312,17 4.143,18 6.062,19 4.117,20 4.93,21 5.061,22 4.431,23 4.319,24 6.173,25 4.272,26 5.087,27 5.25,28 4.419,29 4.368,30 6.359,31 4.299,32 5.118,33 5.297,34 4.437,35 4.379,36 6.353,37 4.308,38 5.106,39 5.283,40 4.438,41 4.353,42 6.458,43 4.289,44 5.068,45 5.244,46 4.43,47 4.331,48 6.327,49 4.273,50 5.032,51 5.188,52 4.378,53 4.296,54 6.414,55 4.248,56 0.165,57 0.871,58 13.27,59 5.932,60 21.837,61 6.39,62 0.616,63 1.359,64 22.411,65 9.422,66 64.063,67 10.638,68 0.518,69 1.696,70 30.981,71 12.167,72 59.52,73 12.728,74 0.804,75 1.882,76 38.68,77 14.22,78 92.059,79 15.287,80 0.789,81 1.88,82 41.51,83 15.121,84 104.527,85 17.545,86 0.987,87 1.849,88 38.982,89 14.64,90 149.312,91 17.249,92 0.99,93 1.807,94 37.05,95 13.513,96 101.444,97 15.594,98 0.804,99 1.756,100 38.582,101 13.751,102 122.849,103 15.156,104 60,105 56,106 0.269,107 0.593,108 0.713,109 0.809,110 0.832,111 0.837,112 3.616,113 0.951,114 -3.53,115 -3.51,116 -3.35,120 42.6,121 1,125 2,126 1,143 12,144 2,145 5,147 1,148 1,159 1,174 8,176 3,177 11,180 2,182 4,185 8,189 16,194 3,197 8,200 1,201 16,204 1,206 2,209 6,213 2,214 10,219 2,222 13,226 2,227 5,230 5,232 2,235 16,239 3,240 8,243 1,245 4,247 12,251 3,252 10,257 5,260 8,263 3,264 7,267 1,269 3,271 8,274 2840,275 23.908,276 23.908,277 23.908,278 23.908,279 23.908,280 20.746,281 28.695,282 13.763,283 24.577,284 19.1,285 19.1,286 19.1,287 19.1,288 19.1,289 14.16,290 37.234,291 6.378,292 20.04,293 4.239,294 2.198,295 1.443,296 0.836,297 0.693,298 0.66,299 4.305,307 1,308 919,309 4.528,313 481.279,317 186.385,320 1.79,321 54.758,324 0.75,325 0.67,326 0.83,327 0.5,329 0.83,330 1,331 0.65,332 79.5,333 434,334 4.956,335 4.73,336 7.725,337 4.477,338 3.551,339 4.776,340 1.907,341 13.923,342 3.269,343 4.499,344 3.532,345 6.343,346 4.013,347 3.042,348 4.429,349 0.86,350 9.75,351 2.954,352 4.072,353 3.211,354 6.072,355 3.661,356 2.7,357 3.661,358 0.86,359 8.513,360 2.591,361 3.938,362 2.976,363 5.803,364 3.531,365 2.562,366 3.467,367 0.657,368 7.838,369 2.472,370 3.927,371 2.845,372 5.449,373 3.517,374 2.558,375 3.442,376 0.149,377 7.258,378 2.452,379 3.575,380 2.696,381 5.311,382 3.206,383 2.269,384 2.897,386 6.709,387 2.129,388 3.498,389 2.5,390 5.214,391 3.08,392 2.135,393 2.813,395 6.436,396 2.013,397 3.422,398 2.404,399 4.903,400 2.988,401 1.975,402 2.65,404 5.153,405 1.966,406 3.19,407 1.936,408 4.646,409 2.696,410 1.739,411 2.505,413 4.943,414 1.66,415 3.036,416 1.73,417 4.412,418 2.556,419 1.566,420 2.208,422 4.358,423 1.542,424 2.548,425 1.412,426 4.053,427 2.155,428 1.198,429 1.553,431 3.256,432 1.14,433 2.5,434 1.173,435 3.715,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1.096,444 3.414,445 2,446 1,447 1.5,449 2.275,450 1,451 2.184,452 1,453 3.414,454 1.78,455 0.835,456 1.073,458 2.209,459 0.784,460 1.732,461 1,462 3.043,463 1.423,464 0.555,465 0.627,467 0.939,468 0.477,469 17.033,470 0.473,471 1.053,472 0.029,473 52,474 1.444,475 29,476 0.806,477 23,478 0.639,479 28.638,480 0.795,481 38.767,482 0.636,483 47.657,484 1.324,485 10.5,486 0.292,487 6.705,488 0.186,489 0.166,490 0.049,491 0.317,496 0.716,497 1.315,498 0.787,499 1.206,500 0.72,501 0.932,502 0.838,503 1.008,504 0.769,505 0.828,506 0.593,507 0.797,508 1.133,509 1.243,510 1.254,511 1.202,512 1.012,513 1.041,514 1.222,515 1.043,516 1.278,517 1.122,518 1.318,519 1.062,520 0.973,521 1.043,522 1.033,523 1.11,524 1.275,525 0.997,526 0.821,527 1.004,528 0.917,529 1.016,530 1.068,531 0.972,532 0.941,533 0.948,534 0.94,535 0.92,536 0.96,537 0.908,538 0.991,539 1.2,540 1.264,541 1.309,542 0.939,543 1.093,544 9.5,545 0.28,546 4.889,547 2.813,548 2.862,549 1.757,550 1.175,551 0.974,552 0.632,553 0.421,554 17593,555 55653,556 2.017,557 41,559 20,562 2,563 3,567 1.782,568 1.854,569 3.533,570 0.204,575 103.202,576 1.692,577 3.732,578 4.487,579 5.094,580 5.238,581 5.271,582 3.037,583 4.781,584 5.134,585 3.734,586 2352.3,587 9.075,588 36736.4,593 361.775,594 1.637,595 5.076,596 0.244,597 0.007,598 0.087,599 0.046,600 0.049,601 0.03,602 0.02,603 0.017,604 0.011,605 0.008,606 0.518,607 0.33,608 0.75,609 1.045,610 194.076,612 -0.166,613 0.168,614 -0.089,615 -0.145,616 0.009,617 0.107,618 0.08,619 0.142,620 0.164,621 0.166,622 0.127,623 -0.196,624 -0.119,625 -0.154,626 -0.091,627 -0.093,628 -0.101,629 -0.187,630 0.017,631 -0.175,632 -0.051,633 -0.135,634 -0.106,635 -0.03,636 -0.056,637 0.038,638 -0.044,639 -0.088,640 0.01,641 0.15,642 -0.014,643 0.085,644 -0.006,645 0.1,646 0.015,647 0.061,648 0.075,649 0.068,650 0.081,651 -0.002,652 0.058,653 0.02,654 -0.156,655 -0.145,656 -0.215,657 0.152,658 -0.121,659 5,660 6.786,661 0.611,662 41.531,663 1.017,664 1.119,665 2.302,666 5.301,667 0.685,668 3.689,669 4.043,670 4.304,671 4.543,672 4.82,673 4.934,674 5.088,675 5.226,676 5.288,677 5.313,678 7.308,679 0.661,680 507.61,681 3.689,682 5.252,683 6.107,684 6.999,685 7.876,686 8.773,687 9.661,688 10.562,689 11.456,690 12.36,691 4.9,697 1,698 1,701 1,708 2,709 12,710 1,714 7,716 23,734 1,735 2,738 61,739 26,740 3,741 39,743 64,744 26,745 21,746 7,747 11,752 4,753 5,759 1,768 22,769 4,772 3,776 1,778 3,782 1,789 25,790 9,791 2,792 10,793 1,797 3,803 0.75,804 6,816 1,823 4,827 1,838 1,855 3,857 1,859 3,862 36,866 1,868 1,869 1,871 1,872 2,875 1,886 9.8,888 1,889 3,891 2,893 19.417,894 11.85,895 7.917,896 3.236,898 3.358,899 1.428,900 0.969,901 7.571,902 11.209,903 3.998,904 4.659,905 5.211,906 5.785,907 6.394,908 6.694,909 7.082,910 7.464,911 7.779,912 7.943,913 1,914 61,915 13.684,917 6.202,918 8.016,919 24.742,921 20.078,924 2.516,925 90.583,929 270.735,930 182.378,931 36.315,933 134.141,935 5.807,936 176.57,937 404.876,938 36.315,939 30.591,940 20.116,941 119.522,942 133.631,943 48.972,945 270.735,947 270.735,948 212.885,949 134.141,950 5.807,952 270.735,953 134.141,956 31.086,957 165.014,958 22.593,960 270.735,961 170.456,962 182.378,964 5.807,965 270.735,966 32.264,967 145.825,968 18.011,969 150.927,970 270.735,971 170.456,972 182.378,973 0.588,974 0.341,975 0.175,976 0.1,977 26,978 13,979 0.125,980 8,981 1,982 1.091,983 4.407,984 353.047,985 0.091,986 22,987 176.117,992 1,993 25.608,994 10.644,995 5.689,996 1.235,997 170.456,998 19.309,999 4.237,1003 2.072,1005 60.694,1006 623.569,1007 53.5,1011 -4.084,1013 38.895,1017 -0.263,1020 62.065,1021 68.239,1022 0.285,1023 0.629,1024 0.757,1025 0.859,1026 0.883,1027 0.889,1028 5.246,1029 1.975,1030 6.133,1031 6.436,1032 4.727,1033 5.347,1034 2.386,1035 6.997,1036 4.637,1037 6.499,1038 1.739,1039 7.737,1040 5.153,1041 4.511,1042 5.421,1043 1.593,1044 8.199,1045 4.347,1046 7.853,1047 1.566,1048 9.453,1049 4.943,1050 6.412,1051 7.678,1052 3.035,1053 11.278,1054 6.215,1055 9.248,1056 1.198,1057 11.241,1058 4.358,1059 6.995,1060 8.54,1061 3.032,1062 13.371,1063 6.697,1064 10.677,1065 1,1066 13.081,1067 3.256,1068 8.43,1069 10.34,1070 4.068,1071 16.095,1072 8.099,1073 12.132,1074 1,1075 14.96,1076 2.275,1077 9.374,1078 11.559,1079 4.409,1080 18.538,1081 8.933,1082 13.608,1083 0.835,1084 16.872,1085 2.275,1086 10.656,1087 13.193,1088 5.257,1089 21.184,1090 10.166,1091 3.551,1092 0.555,1093 18.81,1094 2.209,1095 11.766,1096 14.583,1097 5.75,1098 23.751,1099 11.169,1100 3.042,1101 13.923,1102 20.769,1103 0.939,1104 13.006,1105 16.154,1106 6.503,1107 26.383,1108 12.342,1109 2.7,1110 9.75,1111 22.746,1112 4.776,1113 14.192,1114 17.625,1115 7.068,1116 28.992,1117 13.427,1118 2.562,1119 8.513,1120 24.737,1121 4.429,1122 15.428,1123 19.175,1124 7.771,1125 31.623,1126 14.584,1127 2.558,1128 7.838,1129 26.739,1130 3.661,1131 16.65,1132 20.685,1133 8.374,1134 34.247,1135 15.709,1136 2.269,1137 7.258,1138 28.75,1139 3.467,1140 17.891,1141 22.229,1142 9.051,1143 36.878,1144 16.865,1145 2.135,1146 6.709,1147 30.768,1148 3.442,1149 19.131,1150 23.758,1151 9.674,1152 39.508,1153 18.011,1154 17128,1155 30643,1156 25.255,1157 41.767,1158 58.478,1159 60.582,1160 60.932,1161 58.203,1162 58.256,1163 79.208,1164 8.867,1165 173.087,1166 55.666,1167 5.832,1168 6.73,1169 7.276,1170 5.544,1171 5.551,1172 7.776,1173 3.306,1174 22.221,1175 5.269,1176 21.475,1177 1.499,1178 1.553,1179 1.562,1180 1.492,1181 1.494,1182 2.031,1183 0.227,1184 4.438,1185 1.427,1186 4.138,1187 4.141,1188 4.744,1189 4.1,1190 7.715,1191 4.047,1192 4.034,1193 4.038,1194 4.037,1195 3.979,1196 7.43,1197 3.959,1198 3.875,1199 3.901,1200 3.822,1201 3.801,1202 6.999,1203 3.8,1204 3.693,1205 3.697,1206 3.752,1207 3.578,1208 6.475,1209 3.537,1210 3.547,1211 3.572,1212 3.492,1213 3.413,1214 4.96,1215 3.409,1216 3.443,1217 3.461,1218 3.379,1219 3.248,1220 4.862,1221 3.252,1222 3.242,1223 3.296,1224 3.115,1225 2.982,1226 4.709,1227 2.992,1228 3.21,1229 3.277,1230 3.03,1231 2.951,1232 4.581,1233 2.958,1234 0.127,1235 0.121,1236 0.198,1237 0.115,1238 0.091,1239 4.956,1240 0.122,1241 4.73,1242 0.049,1243 7.725,1244 0.357,1245 4.477,1246 0.084,1247 3.551,1248 4.776,1249 1.907,1250 13.923,1251 3.269,1252 2.041,1253 2.027,1254 2.1,1255 2.133,1256 1.273,1257 2.134,1258 1.972,1259 1.973,1260 1.999,1261 2.052,1262 1.184,1263 2.071,1264 1.862,1265 1.838,1266 1.969,1267 1.964,1268 1.062,1269 1.967,1270 1.574,1271 1.562,1272 1.705,1273 1.756,1274 0.879,1275 1.762,1276 1.472,1277 1.45,1278 1.688,1279 1.687,1280 0.726,1281 1.684,1282 1.339,1283 1.324,1284 1.573,1285 1.568,1286 0.594,1287 1.578,1288 1.178,1289 1.116,1290 1.547,1291 1.474,1292 0.57,1293 1.504,1294 1.172,1295 1.097,1296 1.273,1297 1.422,1298 0.524,1299 1.457,1300 4.369,1302 5.714,1304 7.256,1306 8.888,1308 10.568,1310 4.439,1314 10.646,1315 -0.186,1317 2.618,1318 10.483,1321 1.183,1326 40.335,1327 103.202,1328 227.682,1329 273.736,1330 310.755,1331 319.51,1332 321.51,1333 92.861,1334 7.851,1335 118.06,1336 126.44,1337 24,1338 12.881,1339 4.755,1340 3.954,1341 61.654,1342 146,1343 184,1344 0.192,1345 250.96,1346 437.89,1347 604.103,1348 25795,1350 25.872,1351 0.719,1352 0.576,1353 26.122,1354 20.743,1355 17.205,1356 0.441,1357 0.317,1358 10.851,1359 15.648,1360 10.387,1361 8.664,1362 17.994,1363 12.361,1364 16.016,1365 0.286,1366 0.175,1367 17.316,1368 9.807,1369 13.164,1370 0.18,1371 0.1,1372 14.489,1373 7.303,1374 10.554,1375 0.113,1376 0.055,1377 11.775,1378 5.133,1379 8.76,1380 0.071,1381 0.03,1382 9.884,1383 3.703,1384 0.297,1385 116.834,1386 0.199,1387 32.548,1388 0.543,1389 190,1390 641.311,1391 251.236,1392 629.645,1393 847.09,1394 582,1395 224,1396 586.566,1397 293.146,1398 632.184,1399 917.84,1400 589,1401 6.51}
{0 CHEMBL1301976,1 1.633,2 12.333,3 3.587,4 12.864,5 109.326,6 8.517,7 0.429,8 3.998,9 4.121,10 3.669,11 3.52,12 5.113,13 3.486,14 4.515,15 4.702,16 4.039,17 3.862,18 5.6,19 3.803,20 4.726,21 4.917,22 4.173,23 4.022,24 5.83,25 3.926,26 4.822,27 5.052,28 3.981,29 4.005,30 5.848,31 3.878,32 4.831,33 5.065,34 3.899,35 3.854,36 6.002,37 3.784,38 4.733,39 4.972,40 3.854,41 3.81,42 5.987,43 3.72,44 4.616,45 4.829,46 3.91,47 3.836,48 5.68,49 3.724,50 4.681,51 4.923,52 3.774,53 3.855,54 5.666,55 3.719,56 0.038,57 0.71,58 9.309,59 4.618,60 7.235,61 6.006,62 0.29,63 1.082,64 20.666,65 7.452,66 27.85,67 9.889,68 0.488,69 1.28,70 30.419,71 9.529,72 48.124,73 12.069,74 0.304,75 1.324,76 46.136,77 11.515,78 40.697,79 14.988,80 0.557,81 1.282,82 32.119,83 8.849,84 81.945,85 11.961,86 0.754,87 1.17,88 32.235,89 8.642,90 104.091,91 11.608,92 0.39,93 1.087,94 26.691,95 8.716,96 50.376,97 11.407,98 0.272,99 1.146,100 33.793,101 9.599,102 41.795,103 13.061,104 41,105 37,106 0.277,107 0.595,108 0.768,109 0.84,110 0.853,111 0.866,112 3.339,113 1.01,114 -4.05,115 -4,116 -3.78,118 1,120 39.2,121 2,125 1,126 3,143 7,144 1,145 4,159 2,174 5,177 3,180 2,182 4,185 8,188 2,189 1,192 2,194 3,197 7,201 5,204 1,206 2,209 1,214 9,219 3,226 2,227 5,230 2,231 1,239 1,240 3,247 4,252 5,257 4,260 3,264 4,269 3,271 2,274 1241,275 17.842,276 17.842,277 17.842,278 17.842,279 17.842,280 15.98,281 24.973,282 10.597,283 18.345,284 13.688,285 13.688,286 13.688,287 13.688,288 13.688,289 10.848,290 34.26,291 4.912,292 14.428,293 4.039,294 2.155,295 1.136,296 0.711,297 0.633,298 0.554,299 4.001,306 1,307 1,308 682,309 4.183,313 219.08,320 2.025,321 27.156,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 58.25,333 333,334 4.225,335 3.663,336 5.958,337 3.802,338 2.85,339 3.875,340 1.972,341 8.385,342 2.702,343 4.095,344 3.578,345 5.672,346 3.717,347 2.753,348 3.682,349 1.945,350 7.943,351 2.647,352 3.825,353 3.145,354 5.541,355 3.564,356 2.612,357 3.036,358 0.86,359 7.508,360 2.478,361 3.665,362 2.894,363 5.308,364 3.326,365 2.36,366 2.902,367 0.827,368 6.759,369 2.271,370 3.401,371 2.628,372 5.071,373 3.081,374 2.149,375 2.617,376 0.19,377 6.141,378 1.98,379 3.247,380 2.38,381 4.714,382 2.848,383 1.866,384 2.448,385 0.141,386 5.158,387 1.803,388 2.987,389 2.305,390 4.43,391 2.659,392 1.668,393 2.008,395 4.378,396 1.63,397 2.82,398 1.776,399 4.039,400 2.367,401 1.414,402 1.948,404 3.521,405 1.286,406 2.67,407 1.333,408 3.493,409 2.193,410 1.204,411 1.741,413 2.621,414 1.188,415 1.584,416 0.937,417 3.003,418 1.381,419 0.433,420 0.483,422 0.719,423 0.397,424 1.536,425 0.892,426 2.877,427 1.294,428 0.416,429 0.433,431 0.628,432 0.367,433 1.436,434 0.819,435 2.678,436 1.124,437 0.258,438 0.3,440 0.505,441 0.18,442 1.181,443 0.747,444 2.451,445 0.887,446 -0.06,447 -0.067,449 -0.161,450 -0.054,451 1,452 0.397,453 2.372,454 0.694,455 -0.286,456 -0.343,458 -0.716,459 -0.266,460 0.959,461 0.248,462 2.266,463 0.577,464 -0.461,465 -0.601,467 -1.121,468 -0.469,469 13.533,470 0.501,471 0.681,472 0.025,473 33.25,474 1.231,475 16.5,476 0.611,477 16.75,478 0.62,479 24.12,480 0.893,481 29.667,482 0.582,483 24.3,484 0.9,485 6.716,486 0.249,487 6.19,488 0.229,489 0.259,491 0.288,496 0.764,497 1.422,498 0.533,499 0.992,500 0.583,501 0.985,502 0.899,503 1.111,504 0.599,505 0.805,506 0.583,507 0.851,508 1.177,509 0.967,510 0.962,511 0.935,512 1.226,513 1.037,514 0.813,515 1.236,516 1.26,517 1.259,518 0.802,519 1.131,520 1.632,521 1.044,522 0.428,523 0.783,524 2.001,525 0.9,526 1.166,527 0.776,528 0.616,529 0.709,530 1.457,531 0.827,532 1.023,533 1.066,534 0.597,535 0.951,536 1.251,537 1.05,538 0.762,539 1.126,540 0.797,541 1.087,542 0.816,543 1.083,544 7,545 0.115,546 2.222,547 2.188,548 1.236,549 0.91,550 0.446,551 0.375,552 0.279,553 0.251,554 8972,555 27636,556 1.933,557 47.1,558 3,559 16,562 2,564 3,567 1.698,568 1.78,569 3.6,570 0.267,572 1,575 83.306,576 1.633,577 3.517,578 4.537,579 4.961,580 5.04,581 5.118,582 3.069,583 4.236,584 4.728,585 3.767,586 1322.17,587 8.191,588 18019.5,590 1,592 1,593 289.294,594 1.51,595 4.664,596 0.25,597 0.006,598 0.06,599 0.059,600 0.036,601 0.029,602 0.015,603 0.013,604 0.01,605 0.01,606 0.49,607 0.33,608 1,609 0.936,610 137.027,611 -0.047,612 -0.19,613 0.003,614 -0.063,615 -0.05,616 -0.023,617 0.027,618 0.013,619 0.048,620 0.095,621 0.069,622 0.089,623 -0.088,624 0.131,625 -0.047,626 0.019,627 -0.141,628 -0.099,629 0.033,630 -0.255,631 -0.112,632 -0.229,633 0.041,634 -0.126,635 -0.239,636 -0.058,637 0.005,638 -0.003,639 -0.212,640 -0.024,641 0.125,642 0.221,643 -0.001,644 0.122,645 0.146,646 0.071,647 -0.031,648 -0.064,649 0.027,650 -0.049,651 -0.094,652 -0.091,653 0.005,654 -0.158,655 -0.027,656 -0.146,657 0.011,658 -0.089,659 1.85,660 5.289,661 0.444,662 26.11,663 1.005,664 1.128,665 2.816,666 7.93,667 0.669,668 3.367,669 3.638,670 3.784,671 3.951,672 4.06,673 3.989,674 3.932,675 3.912,676 3.85,677 3.871,678 7.29,679 0.628,680 434.37,681 3.367,682 4.875,683 5.673,684 6.515,685 7.326,686 8.168,687 8.983,688 9.825,689 10.641,690 11.483,691 5.9,694 1,698 2,709 7,714 5,716 12,735 1,737 1,738 51,739 14,740 2,741 28,742 1,743 52,744 20,745 12,746 5,747 7,752 2,753 2,759 2,768 14,769 6,772 2,778 2,782 2,786 1,789 24,790 6,791 2,792 7,793 1,797 3,803 1,804 3,823 2,838 2,851 1,855 2,858 1,859 3,862 27,869 3,871 2,872 1,875 1,885 1,886 5.9,889 2,891 1,893 15.167,894 9.926,895 6.194,896 2.94,898 1.895,899 1.287,900 0.94,901 8.29,902 8.508,903 3.611,904 4.127,905 4.527,906 5.001,907 5.418,908 5.368,909 5.352,910 5.437,911 5.216,912 5.382,913 1,914 37,915 9.979,917 4.018,918 7.849,919 18.808,921 14.408,924 2.349,925 63.417,928 1,929 258.964,930 127.591,931 85.1,933 61.29,936 173.545,937 320.254,938 39.146,939 28.533,940 42.339,941 66.334,942 59.699,943 31.122,945 258.964,946 45.954,947 258.964,948 166.737,949 61.29,951 45.954,952 223.651,953 96.603,956 63.113,957 103.624,959 45.954,960 258.964,961 100.436,962 173.545,965 258.964,966 32.724,967 97.992,968 81.976,969 61.29,970 258.964,971 100.436,972 173.545,973 0.569,974 0.322,975 0.164,976 0.086,977 14,978 8,979 0.154,980 8,982 1,983 3.877,984 204.511,986 12,987 128.382,993 21.417,994 10.451,995 6.978,997 100.436,998 12.774,1003 4.092,1005 36.022,1006 532.945,1007 36,1013 24.561,1017 -0.342,1020 51.236,1021 57.532,1022 0.288,1023 0.62,1024 0.8,1025 0.875,1026 0.888,1027 0.902,1028 4.82,1029 1.414,1030 5.645,1031 4.378,1032 4.317,1033 4.812,1034 2.811,1035 6.365,1036 4.221,1037 6.003,1038 1.204,1039 7.155,1040 3.521,1041 3.892,1042 4.59,1043 2.221,1044 7.05,1045 3.731,1046 7.283,1047 0.433,1048 8.752,1049 2.621,1050 5.838,1051 6.88,1052 3.742,1053 10.046,1054 5.653,1055 8.589,1056 0.416,1057 10.394,1058 0.719,1059 6.133,1060 7.361,1061 3.8,1062 11.434,1063 5.869,1064 9.918,1065 0.258,1066 12.063,1067 0.628,1068 7.577,1069 9.2,1070 4.913,1071 13.946,1072 7.3,1073 11.262,1074 -0.06,1075 13.749,1076 0.505,1077 8.219,1078 10.028,1079 5.26,1080 15.661,1081 7.86,1082 12.619,1083 -0.286,1084 15.448,1085 -0.161,1086 9.441,1087 11.663,1088 6.174,1089 17.963,1090 9.068,1091 2.85,1092 -0.461,1093 17.156,1094 -0.716,1095 10.263,1096 12.688,1097 6.668,1098 19.851,1099 9.813,1100 2.753,1101 8.385,1102 18.872,1103 -1.121,1104 11.38,1105 14.209,1106 7.476,1107 22.052,1108 10.907,1109 2.612,1110 7.943,1111 20.593,1112 3.875,1113 12.296,1114 15.353,1115 8.048,1116 24.033,1117 11.754,1118 2.36,1119 7.508,1120 22.32,1121 3.682,1122 13.362,1123 16.806,1124 8.797,1125 26.183,1126 12.79,1127 2.149,1128 6.759,1129 24.051,1130 3.036,1131 14.328,1132 18.024,1133 9.413,1134 28.217,1135 13.693,1136 1.866,1137 6.141,1138 25.787,1139 2.902,1140 15.371,1141 19.434,1142 10.129,1143 30.343,1144 14.7,1145 1.668,1146 5.158,1147 27.525,1148 2.617,1149 16.365,1150 20.698,1151 10.77,1152 32.407,1153 15.634,1154 9039,1155 15985,1156 17.8,1157 34.108,1158 40.123,1159 42.272,1160 42.139,1161 39.913,1162 39.969,1163 50.945,1164 11.873,1165 108.533,1166 37.856,1167 5.167,1168 5.663,1169 5.551,1170 4.846,1171 4.85,1172 6.875,1173 3.459,1174 14.567,1175 4.702,1176 16.722,1177 1.433,1178 1.51,1179 1.505,1180 1.425,1181 1.427,1182 1.819,1183 0.424,1184 3.876,1185 1.352,1186 3.959,1187 3.992,1188 6.88,1189 3.898,1190 7.431,1191 3.883,1192 3.91,1193 3.937,1194 3.878,1195 3.828,1196 7.426,1197 3.83,1198 3.737,1199 3.795,1200 3.804,1201 3.535,1202 4.874,1203 3.552,1204 3.445,1205 3.479,1206 3.626,1207 3.211,1208 4.75,1209 3.24,1210 3.369,1211 3.44,1212 3.362,1213 3.156,1214 4.404,1215 3.153,1216 3.235,1217 3.302,1218 3.194,1219 3.003,1220 4.226,1221 2.984,1222 3.155,1223 3.238,1224 3.048,1225 2.962,1226 4.002,1227 2.968,1228 2.948,1229 3.032,1230 2.956,1231 2.849,1232 3.894,1233 2.795,1234 0.151,1235 0.131,1236 0.213,1237 0.136,1238 0.102,1239 4.225,1240 0.138,1241 3.663,1242 0.07,1243 5.958,1244 0.299,1245 3.802,1246 0.096,1247 2.85,1248 3.875,1249 1.972,1250 8.385,1251 2.702,1252 1.912,1253 1.889,1254 1.998,1255 2.019,1256 1.158,1257 2.016,1258 1.884,1259 1.859,1260 1.99,1261 1.993,1262 1.126,1263 1.997,1264 1.677,1265 1.614,1266 1.898,1267 1.895,1268 1.058,1269 1.9,1270 1.347,1271 1.295,1272 1.638,1273 1.608,1274 0.789,1275 1.613,1276 1.331,1277 1.27,1278 1.577,1279 1.594,1280 0.653,1281 1.585,1282 1.194,1283 1.118,1284 1.552,1285 1.492,1286 0.589,1287 1.514,1288 1.176,1289 1.103,1290 1.466,1291 1.396,1292 0.571,1293 1.437,1294 0.919,1295 0.853,1296 1.17,1297 1.171,1298 0.228,1299 1.179,1300 4.043,1302 5.323,1304 6.779,1306 8.313,1308 9.887,1309 3.437,1310 5.447,1315 0.843,1317 5.684,1318 5.146,1321 1.774,1326 32.029,1327 83.306,1328 179.387,1329 231.378,1330 253.029,1331 257.029,1332 261.029,1333 64.568,1334 6.613,1335 70.67,1336 70.67,1337 12,1338 12.053,1339 3.907,1340 3.17,1341 58.645,1342 117,1343 110,1344 0.236,1345 208.697,1346 365.57,1347 500.98,1348 6252,1349 2,1350 19.811,1351 0.734,1352 0.641,1353 20.811,1354 17.299,1355 12.905,1356 0.461,1357 0.337,1358 8.546,1359 11.829,1360 8.175,1361 6.87,1362 13.483,1363 9.425,1364 11.368,1365 0.307,1366 0.188,1367 12.11,1368 6.95,1369 8.696,1370 0.202,1371 0.113,1372 9.553,1373 4.867,1374 6.758,1375 0.133,1376 0.054,1377 7.061,1378 2.757,1379 5.012,1380 0.088,1381 0.031,1382 5.44,1383 1.777,1384 0.381,1385 89.503,1386 0.237,1387 26.514,1388 0.619,1389 130,1390 418.172,1391 209.367,1392 435.714,1393 565.83,1394 404,1395 145,1396 369.171,1397 191.391,1398 388.607,1399 554.15,1400 361,1401 4.214}
{0 CHEMBL1302460,1 1.466,2 10.939,3 5.377,4 28.908,5 129.05,6 7.501,7 0.514,8 4.144,9 4.254,10 3.695,11 3.731,12 5.345,13 3.702,14 4.62,15 4.777,16 4.053,17 4.093,18 5.869,19 4.045,20 4.849,21 5.003,22 4.143,23 4.236,24 6.068,25 4.176,26 5.032,27 5.249,28 4.1,29 4.215,30 6.285,31 4.135,32 4.965,33 5.18,34 4.073,35 4.144,36 6.191,37 4.08,38 4.918,39 5.123,40 4.09,41 4.1,42 6.206,43 4.07,44 4.849,45 5.018,46 4.125,47 4.157,48 6.139,49 4.12,50 4.96,51 5.147,52 4.111,53 4.247,54 6.169,55 4.186,56 0.045,57 0.77,58 11.318,59 5.464,60 12.223,61 6.822,62 0.261,63 1.204,64 20.045,65 8.998,66 46.991,67 11.864,68 0.11,69 1.508,70 25.152,71 10.918,72 36.068,73 14.021,74 0.574,75 1.739,76 34.558,77 12.391,78 100.661,79 16.523,80 0.309,81 1.57,82 32.477,83 12.09,84 76.731,85 15.812,86 0.481,87 1.517,88 31.426,89 10.433,90 100.594,91 13.172,92 0.273,93 1.46,94 26.904,95 10.298,96 63.596,97 12.91,98 0.482,99 1.597,100 31.441,101 11.615,102 100.122,103 14.496,104 66,105 49,106 0.236,107 0.551,108 0.641,109 0.715,110 0.759,111 0.759,112 3.532,113 0.897,114 -5.37,115 -5.26,116 -4.91,120 45.8,121 4,136 1,137 1,143 10,144 6,145 2,159 3,168 1,172 1,174 20,175 1,177 3,180 3,182 7,185 23,186 2,189 4,194 10,197 19,198 2,200 1,201 8,204 2,205 1,206 6,209 11,210 1,214 11,219 7,222 11,223 1,227 11,232 9,235 12,236 1,240 11,245 9,247 18,252 2,253 2,257 2,258 2,260 28,263 2,264 2,267 4,268 2,269 2,271 34,274 2386,275 21.378,276 21.378,277 21.378,278 21.378,279 21.378,280 18.461,281 23.356,282 12.379,283 21.441,284 17.201,285 17.201,286 17.201,287 17.201,288 17.201,289 12.777,290 27.694,291 5.864,292 17.282,293 4.417,294 2.458,295 1.902,296 1.441,297 1.17,298 1.17,299 4.206,306 1,307 1,308 749,309 4.359,313 394.229,320 1.589,321 40.395,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 71,333 361,334 4.386,335 3.739,336 6.442,337 4.038,338 3.039,339 3.935,340 1.437,341 9.896,342 3.032,343 4.239,344 3.576,345 6.083,346 3.851,347 2.865,348 3.885,349 1.058,350 8.811,351 2.823,352 4.199,353 3.347,354 6.026,355 3.801,356 2.803,357 3.824,358 1.058,359 8.588,360 2.79,361 4.11,362 2.972,363 5.927,364 3.73,365 2.726,366 3.596,368 8.207,369 2.728,370 3.657,371 2.936,372 5.27,373 3.291,374 2.289,375 2.992,377 6.675,378 2.287,379 3.526,380 2.534,381 5.041,382 3.174,383 2.183,384 2.825,386 6.019,387 2.158,388 3.435,389 2.33,390 4.956,391 3.074,392 2.079,393 2.744,395 5.788,396 2.066,397 3.221,398 2.325,399 4.775,400 2.823,401 1.8,402 2.358,404 4.93,405 1.828,406 2.86,407 1.907,408 4.205,409 2.444,410 1.454,411 1.976,413 3.781,414 1.437,415 2.804,416 1.654,417 4.084,418 2.368,419 1.361,420 1.914,422 3.493,423 1.366,424 2.793,425 1.652,426 3.82,427 2.283,428 1.274,429 1.809,431 3.009,432 1.266,433 2.5,434 1.389,435 3.579,436 2,437 1,438 1.5,440 2.275,441 1,442 2.41,443 1,444 3.414,445 1.776,446 0.774,447 1.13,449 2.081,450 0.768,451 1.569,452 0.753,453 2.883,454 1.254,455 0.262,456 0.321,458 0.604,459 0.258,460 1.568,461 0.735,462 2.862,463 1.231,464 0.229,465 0.293,467 0.537,468 0.228,469 15.633,470 0.474,471 1.038,472 0.031,473 44.5,474 1.348,475 25,476 0.758,477 19.5,478 0.591,479 27.902,480 0.846,481 34.767,482 0.589,483 39.257,484 1.19,485 9.182,486 0.278,487 6.452,488 0.196,489 0.213,491 0.384,496 0.714,497 1.066,498 0.807,499 0.959,500 0.655,501 0.903,502 0.394,503 1.017,504 0.692,505 0.932,506 0.427,507 0.876,508 0.854,509 1.404,510 1.043,511 1.288,512 0.818,513 1.211,514 0.986,515 0.987,516 1.037,517 0.997,518 0.924,519 1.009,520 1.148,521 1.089,522 0.897,523 1,524 1.168,525 0.924,526 1.621,527 0.866,528 0.98,529 0.736,530 1.617,531 0.738,532 1.298,533 1.138,534 1.019,535 1.028,536 1.275,537 0.979,538 1.468,539 0.837,540 1.132,541 0.828,542 1.505,543 0.901,544 8.5,545 0.355,546 4.444,547 2.375,548 2.369,549 1.201,550 0.893,551 0.722,552 0.608,553 0.356,554 14049,555 39362,556 1.959,557 44.1,558 12,559 11,562 3,567 1.76,568 1.784,569 3.417,570 0.772,575 86.483,576 1.466,577 3.424,578 3.98,579 4.442,580 4.713,581 4.713,582 2.854,583 4.112,584 5.013,585 3.654,586 1929.07,587 8.827,588 29462.9,593 347.076,594 1.556,595 4.943,596 0.243,597 0.01,598 0.091,599 0.047,600 0.051,601 0.026,602 0.019,603 0.014,604 0.012,605 0.007,606 0.52,607 0.17,608 1,609 0.801,610 174.489,611 -0.067,612 0.046,613 0.003,614 0.064,615 -0.097,616 0.05,617 0.262,618 0.039,619 0.178,620 0.084,621 0.183,622 0.106,623 -0.054,624 -0.346,625 -0.158,626 -0.294,627 -0.042,628 -0.255,629 0.066,630 0.049,631 -0.04,632 -0.05,633 0.066,634 -0.057,635 -0.048,636 -0.114,637 0.11,638 -0.027,639 -0.017,640 0.051,641 -0.22,642 0.168,643 0.06,644 0.196,645 -0.16,646 0.183,647 -0.148,648 -0.088,649 -0.062,650 -0.063,651 -0.101,652 -0.049,653 -0.262,654 0.192,655 -0.15,656 0.138,657 -0.244,658 0.038,659 2.717,660 6.166,661 0.545,662 35.319,663 1.002,664 1.116,665 4.145,666 17.18,667 0.677,668 3.584,669 3.912,670 4.111,671 4.29,672 4.489,673 4.477,674 4.511,675 4.615,676 4.727,677 4.663,678 7.148,679 0.648,680 442.55,681 3.584,682 5.13,683 5.958,684 6.823,685 7.668,686 8.532,687 9.383,688 10.246,689 11.101,690 11.964,691 3.4,698 2,709 10,714 8,716 18,725 1,738 59,739 22,740 3,741 35,743 61,744 27,745 18,746 8,747 10,748 5,752 3,753 3,759 4,768 23,769 4,772 4,778 3,780 1,782 4,789 26,790 6,791 3,792 6,797 2,803 1,804 4,823 3,838 2,845 1,846 1,853 1,855 3,859 4,862 33,868 1,871 2,886 6.8,888 1,889 3,893 18.5,894 11.867,895 7.222,896 3.349,898 2.781,899 1.386,900 0.955,901 7.469,902 9.987,903 3.892,904 4.494,905 5.009,906 5.489,907 6.002,908 6.112,909 6.351,910 6.677,911 7.02,912 7.038,913 1,914 51,915 12.249,917 5.194,918 7.985,919 22.709,921 18.013,924 2.485,925 82,929 270.735,930 177.671,931 36.022,933 118.118,936 177.671,937 388.853,938 36.022,939 35.301,940 36.022,941 104.239,942 128.437,943 27.813,945 270.735,947 270.735,948 213.693,949 118.118,952 270.735,953 118.118,956 71.322,957 132.894,958 9.476,960 270.735,961 154.14,962 177.671,965 270.735,966 38.132,967 139.54,968 36.022,969 118.118,970 270.735,971 154.14,972 177.671,973 0.591,974 0.336,975 0.166,976 0.09,977 21,978 12,979 0.098,980 6,982 1,983 4.226,984 294.55,986 18,987 136.465,993 23.964,994 10.286,995 6.181,997 154.14,998 17.202,1003 5.746,1005 78.705,1006 602.546,1007 48,1013 37.457,1015 1.448,1017 -2.276,1020 59.116,1021 65.817,1022 0.249,1023 0.582,1024 0.677,1025 0.755,1026 0.801,1027 0.801,1028 5.127,1029 1.8,1030 5.964,1031 5.788,1032 4.595,1033 5.182,1034 2.263,1035 6.746,1036 4.586,1037 6.359,1038 1.454,1039 7.52,1040 4.93,1041 4.29,1042 5.056,1044 7.594,1045 4.284,1046 7.673,1047 1.361,1048 9.17,1049 3.781,1050 6.18,1051 7.356,1052 2.677,1053 10.628,1054 6.158,1055 9.015,1056 1.274,1057 10.87,1058 3.493,1059 6.608,1060 7.948,1062 12.232,1063 6.589,1064 10.382,1065 1,1066 12.601,1067 3.009,1068 8.019,1069 9.773,1070 3.187,1071 14.793,1072 7.987,1073 11.766,1074 0.774,1075 14.353,1076 2.275,1077 8.779,1078 10.702,1080 16.73,1081 8.747,1082 13.163,1083 0.262,1084 16.121,1085 2.081,1086 9.996,1087 12.315,1088 3.775,1089 19.109,1090 9.954,1091 3.039,1092 0.229,1093 17.9,1094 0.604,1095 10.916,1096 13.423,1098 21.205,1099 10.873,1100 2.865,1101 9.896,1102 19.689,1103 0.537,1104 12.049,1105 14.925,1106 4.418,1107 23.508,1108 11.998,1109 2.803,1110 8.811,1111 21.486,1112 3.935,1113 13.047,1114 16.133,1116 25.684,1117 12.994,1118 2.726,1119 8.588,1120 23.288,1121 3.885,1122 14.146,1123 17.573,1124 5.097,1125 27.959,1126 14.085,1127 2.289,1128 8.207,1129 25.096,1130 3.824,1131 15.183,1132 18.84,1134 30.177,1135 15.12,1136 2.183,1137 6.675,1138 26.908,1139 3.596,1140 16.268,1141 20.244,1142 5.796,1143 32.443,1144 16.199,1145 2.079,1146 6.019,1147 28.724,1148 2.992,1149 17.326,1150 21.546,1152 34.684,1153 17.254,1154 13904,1155 23476,1156 22.194,1157 39.966,1158 53.412,1159 55.308,1160 54.734,1161 52.275,1162 52.274,1163 70.205,1164 7.107,1165 149.389,1166 52.073,1167 5.305,1168 5.739,1169 5.856,1170 5.06,1171 5.039,1172 6.935,1173 2.873,1174 16.709,1175 5.032,1176 21.759,1177 1.526,1178 1.58,1179 1.564,1180 1.494,1181 1.494,1182 2.006,1183 0.203,1184 4.268,1185 1.488,1186 4.018,1187 4.045,1188 3.968,1189 3.943,1190 7.475,1191 3.944,1192 3.932,1193 3.963,1194 3.872,1195 3.872,1196 7.444,1197 3.867,1198 3.917,1199 3.94,1200 3.861,1201 3.863,1202 7.413,1203 3.859,1204 3.658,1205 3.67,1206 3.623,1207 3.517,1208 6.351,1209 3.54,1210 3.321,1211 3.392,1212 3.24,1213 3.151,1214 4.773,1215 3.144,1216 3.298,1217 3.351,1218 3.213,1219 3.133,1220 4.731,1221 3.125,1222 3.237,1223 3.261,1224 3.067,1225 3.014,1226 4.702,1227 3.043,1228 3.167,1229 3.244,1230 2.994,1231 2.96,1232 4.119,1233 2.957,1234 0.125,1235 0.107,1236 0.184,1237 0.115,1238 0.087,1239 4.386,1240 0.112,1241 3.739,1242 0.041,1243 6.442,1244 0.283,1245 4.038,1246 0.087,1247 3.039,1248 3.935,1249 1.437,1250 9.896,1251 3.032,1252 1.96,1253 1.937,1254 2.065,1255 2.056,1256 1.19,1257 2.057,1258 1.934,1259 1.907,1260 2.055,1261 2.022,1262 1.185,1263 2.034,1264 1.919,1265 1.896,1266 2.024,1267 1.995,1268 1.127,1269 2.005,1270 1.581,1271 1.569,1272 1.676,1273 1.754,1274 0.744,1275 1.726,1276 1.317,1277 1.244,1278 1.638,1279 1.532,1280 0.722,1281 1.567,1282 1.298,1283 1.226,1284 1.616,1285 1.502,1286 0.689,1287 1.547,1288 1.139,1289 1.109,1290 1.453,1291 1.416,1292 0.502,1293 1.416,1294 1.135,1295 1.063,1296 1.425,1297 1.404,1298 0.486,1299 1.378,1300 4.263,1302 5.587,1304 7.089,1306 8.67,1308 10.29,1310 7.683,1314 9.11,1317 5.631,1326 38.224,1327 86.483,1328 202.028,1329 234.837,1330 262.056,1331 278.056,1332 278.056,1333 89.616,1334 7.206,1335 95.5,1336 95.5,1337 18,1338 12.514,1339 4.524,1340 3.807,1341 63.681,1342 130,1343 149,1344 0.218,1345 239.101,1346 428.72,1347 575.166,1348 11687,1350 24.121,1351 0.731,1352 0.576,1353 24.121,1354 19.023,1355 15.634,1356 0.447,1357 0.299,1358 10.37,1359 15.236,1360 9.912,1361 8.373,1362 15.634,1363 10.461,1364 14.662,1365 0.299,1366 0.164,1367 14.662,1368 8.03,1369 11.469,1370 0.191,1371 0.087,1372 11.469,1373 5.218,1374 8.962,1375 0.124,1376 0.047,1377 8.962,1378 3.41,1379 6.93,1380 0.079,1381 0.024,1382 6.93,1383 2.136,1384 0.339,1385 96.93,1386 0.212,1387 30.552,1388 0.608,1389 168,1390 508.022,1391 180.964,1392 498.853,1393 664.67,1394 460,1395 193,1396 474.446,1397 204.639,1398 489.268,1399 703.7,1400 456,1401 5.173}
{0 CHEMBL1302598,1 1.406,2 7.905,3 4.166,4 17.357,5 82.852,6 8.252,7 0.75,8 3.619,9 3.712,10 3.297,11 3.32,12 4.807,13 3.295,14 4.095,15 4.218,16 3.675,17 3.716,18 5.233,19 3.682,20 4.31,21 4.463,22 3.751,23 3.789,24 5.5,25 3.747,26 4.343,27 4.541,28 3.614,29 3.659,30 5.551,31 3.606,32 4.133,33 4.329,34 3.402,35 3.445,36 5.364,37 3.397,38 3.96,39 4.167,40 3.158,41 3.303,42 5.083,43 3.234,44 3.787,45 3.985,46 2.975,47 3.163,48 4.892,49 3.087,50 3.576,51 3.714,52 2.86,53 3.077,54 4.754,55 2.99,56 0.028,57 0.412,58 4.954,59 2.67,60 4.978,61 3.285,62 0.014,63 0.664,64 9,65 4.561,66 7.124,67 5.697,68 0.032,69 0.855,70 12.365,71 5.747,72 14.005,73 7.12,74 0.169,75 0.929,76 15.146,77 6.075,78 33.647,79 7.482,80 0.172,81 0.77,82 12.154,83 4.65,84 30.916,85 5.54,86 0.114,87 0.648,88 10.315,89 3.98,90 21.039,91 4.806,92 0.105,93 0.508,94 8.821,95 3.593,96 19.553,97 4.311,98 0.021,99 0.368,100 5.741,101 2.964,102 9.269,103 3.617,104 5,105 35,106 0.254,107 0.508,108 0.668,109 0.824,110 0.876,111 0.887,112 3.105,113 0.853,114 -4.54,115 -4.47,116 -4.21,120 54.5,121 1,143 9,144 5,147 2,158 1,167 1,174 14,177 6,185 17,189 11,197 15,200 1,201 10,209 9,213 1,214 9,222 8,227 5,235 8,240 2,247 10,252 2,260 12,271 8,274 461,275 14.43,276 14.43,277 14.43,278 14.43,279 14.43,280 12.276,281 3.716,282 8.385,283 14.473,284 11.854,285 11.854,286 11.854,287 11.854,288 11.854,289 8.561,290 1.887,291 3.977,292 11.902,293 3.639,294 2.237,295 1.357,296 0.493,297 0.205,298 0.144,299 3.806,306 1,307 1,308 372,309 2,312 30.074,313 134.86,316 117.444,320 1.261,321 16.321,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44,333 166,334 4.685,335 3.691,336 7.014,337 4.342,338 3.339,339 4.392,341 11.961,342 3.348,343 4.23,344 2.915,345 6.178,346 3.848,347 2.857,348 3.862,350 9.201,351 2.83,352 3.775,353 2.71,354 5.685,355 3.333,356 2.34,357 3.334,359 7.322,360 2.323,361 3.5,362 2.442,363 5.586,364 3.126,365 2.106,366 2.851,368 6.831,369 2.14,370 3.454,371 2.133,372 5.035,373 3.069,374 2.079,375 2.726,377 5.992,378 2.057,379 2.916,380 1.512,381 4.241,382 2.45,383 1.456,384 2.099,386 3.803,387 1.447,388 2.801,389 1.364,390 3.888,391 2.333,392 1.341,393 1.936,395 3.099,396 1.329,397 2.635,398 1.316,399 3.65,400 2.143,401 1.152,402 1.7,404 2.705,405 1.141,406 2.5,407 1.157,408 3.473,409 1.986,410 1,411 1.5,413 2.487,414 0.985,415 2.357,416 1,417 3.454,418 1.792,419 0.754,420 1.164,422 1.839,423 0.777,424 1.216,425 0.099,426 2.729,427 0.788,428 -0.24,429 -0.332,431 -0.601,432 -0.245,433 0.937,434 -0.131,435 2.462,436 0.589,437 -0.414,438 -0.523,440 -0.934,441 -0.415,442 0.784,443 -0.502,444 2.356,445 0.354,446 -0.654,447 -0.902,449 -1.674,450 -0.65,451 0.69,452 -0.712,453 2.116,454 0.235,455 -0.756,456 -1.043,458 -2.112,459 -0.753,460 0.609,461 -0.827,462 2,463 0.114,464 -0.883,465 -1.328,467 -2.288,468 -0.88,469 10.133,470 0.483,471 0.521,472 0.025,473 32.25,474 1.536,475 19.5,476 0.929,477 12.75,478 0.607,479 12.328,480 0.587,481 19.867,482 0.602,483 21.161,484 1.008,485 6.413,486 0.305,487 3.824,488 0.182,489 0.082,491 0.395,496 0.445,497 0.804,498 0.65,499 0.801,500 0.525,501 0.762,502 0.599,503 1.008,504 0.697,505 0.896,506 0.591,507 0.826,508 0.894,509 1.237,510 0.872,511 1.099,512 0.858,513 1.004,514 1.247,515 1.127,516 0.972,517 0.978,518 1.197,519 0.946,520 1.442,521 1.078,522 1.074,523 0.931,524 1.322,525 0.944,526 1.385,527 0.878,528 1.142,529 0.876,530 1.115,531 0.94,532 1.491,533 0.669,534 1.113,535 0.812,536 1.49,537 0.893,538 0.99,539 1.076,540 1.212,541 1.316,542 1.2,543 1.311,544 3.5,545 0.025,546 2.667,547 2.174,548 0.848,549 0.74,550 0.42,551 0.213,552 0.129,553 0.051,554 4362,555 10891,556 2.185,557 36.4,558 3,559 9,567 1.633,568 2.066,569 3.012,570 -0.844,572 1,575 46.387,576 1.406,577 2.808,578 3.687,579 4.552,580 4.84,581 4.9,582 2.47,583 4.297,584 4.365,585 3.129,586 657.051,587 7.485,588 6676.37,590 1,591 1,592 1,593 166.465,594 1.342,595 4.334,596 0.146,597 0.006,598 0.076,599 0.06,600 0.028,601 0.031,602 0.022,603 0.013,604 0.009,605 0.006,606 0.399,607 0.83,608 1,609 0.532,610 92.893,611 0.12,612 0.128,613 0.056,614 0.049,615 -0.031,616 0.04,617 0.029,618 -0.083,619 0.086,620 -0.006,621 -0.006,622 0.036,623 0.019,624 -0.271,625 0.006,626 -0.188,627 0.02,628 -0.111,629 0.035,630 -0.088,631 0.045,632 -0.023,633 0.04,634 0.004,635 -0.043,636 0.011,637 -0.063,639 -0.025,640 -0.025,641 -0.235,642 0.199,643 -0.139,644 0.071,645 -0.106,646 0.007,647 -0.247,648 0.311,649 -0.1,650 0.178,651 -0.149,652 0.088,653 -0.092,654 -0.249,655 -0.348,656 -0.357,657 -0.047,658 -0.38,659 1.635,660 5.471,661 0.905,662 14.431,663 0.998,664 1.099,665 3.313,666 10.977,667 0.736,668 3.219,669 3.584,670 3.932,671 4.263,672 4.533,673 4.615,674 4.812,675 4.977,676 5.004,677 5.05,678 4.87,679 0.709,680 272.32,681 3.219,682 4.779,683 5.666,684 6.575,685 7.482,686 8.398,687 9.312,688 10.232,689 11.151,690 12.074,691 6.1,701 2,709 9,710 2,714 7,716 18,721 1,738 33,739 19,740 2,741 24,743 36,744 18,745 16,746 4,747 8,748 1,752 4,753 7,759 1,768 17,769 1,772 1,778 1,782 1,786 1,789 12,790 3,792 3,797 2,803 0.5,804 1,815 1,822 1,823 3,826 2,855 2,859 1,862 21,886 3,889 1,893 10.167,894 6.567,895 4.5,896 2.029,898 3.554,899 1.483,900 1.057,901 2.487,902 10.906,903 3.555,904 4.212,905 4.885,906 5.529,907 6.142,908 6.457,909 6.978,910 7.437,911 7.818,912 8.181,913 1,914 36,915 7.749,917 3.412,918 7.706,919 14.801,921 12.55,924 2.206,925 46.333,926 0.001,929 141.253,930 120.686,931 33.326,933 25.145,936 120.686,937 166.398,938 33.326,939 8.825,941 85.286,942 63.604,943 21.441,945 141.253,947 141.253,948 154.012,949 25.145,952 141.253,953 25.145,956 14.339,957 106.348,958 33.326,960 141.253,961 58.471,962 120.686,965 141.253,966 26.575,967 94.111,969 58.471,970 141.253,971 58.471,972 120.686,973 0.59,974 0.358,975 0.205,976 0.115,977 20,978 8,979 0.028,980 1,981 2,982 1.211,983 3.337,984 175.012,985 0.211,986 19,987 88.239,993 11.987,994 4.358,995 1.786,997 58.471,998 17.431,999 8.579,1003 5.788,1006 320.41,1007 34,1013 12.471,1017 0.032,1020 32.949,1021 36.282,1022 0.279,1023 0.557,1024 0.731,1025 0.902,1026 0.959,1027 0.971,1028 4.792,1029 1.152,1030 5.666,1031 3.099,1032 4.263,1033 4.898,1035 6.538,1036 4.257,1037 6.025,1038 1,1039 7.259,1040 2.705,1041 3.892,1042 4.677,1044 7.542,1045 3.892,1046 7.349,1047 0.754,1048 8.955,1049 2.487,1050 5.905,1051 7.142,1053 10.706,1054 5.895,1055 8.713,1056 -0.24,1057 10.713,1058 1.839,1059 6.382,1060 7.749,1062 12.578,1063 6.381,1064 10.11,1065 -0.414,1066 12.511,1067 -0.601,1068 7.874,1069 9.67,1071 15.268,1072 7.864,1073 11.533,1074 -0.654,1075 14.336,1076 -0.934,1077 8.746,1078 10.689,1080 17.501,1081 8.746,1082 12.978,1083 -0.756,1084 16.183,1085 -1.674,1086 10.037,1087 12.365,1089 20.039,1090 10.032,1091 3.339,1092 -0.883,1093 18.045,1094 -2.112,1095 11.091,1096 13.599,1098 22.42,1099 11.093,1100 2.857,1101 11.961,1102 19.921,1103 -2.288,1104 12.31,1105 15.16,1107 24.912,1108 12.311,1109 2.34,1110 9.201,1111 21.807,1112 4.392,1113 13.442,1114 16.506,1116 27.351,1117 13.45,1118 2.106,1119 7.322,1120 23.702,1121 3.862,1122 14.64,1123 18.014,1125 29.831,1126 14.649,1127 2.079,1128 6.831,1129 25.604,1130 3.334,1131 15.807,1132 19.419,1134 32.294,1135 15.821,1136 1.456,1137 5.992,1138 27.513,1139 2.851,1140 17,1141 20.904,1143 34.772,1144 17.017,1145 1.341,1146 3.803,1147 29.428,1148 2.726,1149 18.184,1150 22.34,1152 37.244,1153 18.205,1154 4096,1155 6591,1156 16.414,1157 24.273,1158 37.374,1159 37.915,1160 38.073,1161 36.845,1162 36.848,1163 51.129,1165 110.479,1166 36.754,1167 5.446,1168 5.691,1169 6.693,1170 5.382,1171 5.339,1172 7.392,1174 19.195,1175 5.348,1176 7.751,1177 1.557,1178 1.58,1179 1.586,1180 1.535,1181 1.535,1182 2.13,1184 4.603,1185 1.531,1186 4.092,1187 4.112,1188 4.067,1189 4.025,1190 7.427,1191 4.032,1192 3.907,1193 3.932,1194 3.848,1195 3.859,1196 5.04,1197 3.853,1198 3.61,1199 3.653,1200 3.546,1201 3.51,1202 4.715,1203 3.514,1204 3.209,1205 3.265,1206 3.135,1207 3.075,1208 4.62,1209 3.072,1210 3.103,1211 3.149,1212 2.954,1213 2.934,1214 3.905,1215 2.931,1216 2.931,1217 2.98,1218 2.83,1219 2.821,1220 3.817,1221 2.819,1222 2.704,1223 2.776,1224 2.57,1225 2.576,1226 3.78,1227 2.562,1228 2.634,1229 2.708,1230 2.514,1231 2.386,1232 3.612,1233 2.429,1234 0.195,1235 0.154,1236 0.292,1237 0.181,1238 0.139,1239 4.685,1240 0.183,1241 3.691,1243 7.014,1244 0.498,1245 4.342,1246 0.139,1247 3.339,1248 4.392,1250 11.961,1251 3.348,1252 1.959,1253 1.935,1254 2.059,1255 2.044,1256 1.171,1257 2.048,1258 1.883,1259 1.862,1260 1.984,1261 1.952,1262 1.09,1263 1.964,1264 1.69,1265 1.666,1266 1.769,1267 1.82,1268 0.868,1269 1.807,1270 1.211,1271 1.147,1272 1.526,1273 1.409,1274 0.594,1275 1.453,1276 1.053,1277 1.022,1278 1.202,1279 1.264,1280 0.276,1281 1.229,1282 0.956,1283 0.916,1284 1.12,1285 1.083,1286 0.222,1287 1.105,1288 0.788,1289 0.727,1290 1.071,1291 0.96,1292 0.141,1293 1.002,1294 0.562,1295 0.48,1296 0.922,1297 0.796,1298 0.004,1299 0.842,1300 3.892,1302 5.242,1303 2.398,1304 6.804,1305 4.949,1306 8.457,1307 7.222,1308 10.158,1310 2.033,1326 23.392,1327 46.387,1328 92.651,1329 121.671,1330 150.2,1331 159.71,1332 161.71,1333 27.873,1334 7.352,1335 42.85,1336 42.85,1337 23,1338 12.581,1339 4.322,1340 3.459,1341 27.982,1342 63,1343 54,1344 0.232,1345 142.17,1346 242.21,1347 338.654,1348 14190,1350 14.397,1351 0.686,1352 0.548,1353 14.397,1354 11.499,1355 10.237,1356 0.427,1357 0.284,1358 6.785,1359 10.045,1360 6.581,1361 5.471,1362 10.237,1363 6.827,1364 9.404,1365 0.269,1366 0.15,1367 9.404,1368 5.236,1369 8.415,1370 0.168,1371 0.076,1372 8.415,1373 3.779,1374 7.426,1375 0.106,1376 0.039,1377 7.426,1378 2.742,1379 6.305,1380 0.069,1381 0.02,1382 6.305,1383 1.874,1384 0.351,1385 62.909,1386 0.247,1387 20.378,1388 0.675,1389 118,1390 315.026,1391 123.545,1392 315.981,1393 444.47,1394 296,1395 144,1396 340.098,1397 150.572,1398 349.675,1399 514.92,1400 330,1401 6.047}
{0 CHEMBL1302689,1 1.993,2 11.097,3 3.193,4 10.197,5 120.225,6 9.977,7 0.618,8 3.996,9 4.098,10 3.831,11 3.524,12 5.314,13 3.533,14 4.431,15 4.562,16 4.265,17 3.891,18 5.702,19 3.881,20 4.53,21 4.669,22 4.197,23 3.891,24 5.876,25 3.888,26 4.632,27 4.788,28 4.197,29 3.92,30 5.949,31 3.932,32 4.711,33 4.897,34 4.237,35 3.949,36 5.996,37 3.957,38 4.689,39 4.847,40 4.229,41 3.888,42 6.078,43 3.918,44 4.666,45 4.833,46 4.203,47 3.814,48 6.146,49 3.854,50 4.61,51 4.795,52 4.084,53 3.766,54 5.96,55 3.756,56 0.297,57 0.777,58 5.066,59 3.619,60 14.852,61 3.477,62 0.494,63 1.137,64 15.187,65 6.434,66 29.177,67 6.226,68 0.643,69 1.218,70 15.709,71 6.481,72 46.804,73 6.422,74 0.717,75 1.347,76 18.144,77 6.751,78 39.064,79 6.559,80 0.74,81 1.374,82 19.496,83 7.529,84 45.747,85 8.352,86 0.848,87 1.271,88 21.029,89 7.176,90 69.552,91 6.869,92 1.019,93 1.255,94 17.922,95 6.155,96 83.238,97 5.875,98 0.994,99 1.175,100 18.557,101 6.018,102 79.525,103 5.604,104 27,105 48,106 0.335,107 0.727,108 0.823,109 0.887,110 0.887,111 0.887,112 3.472,113 0.879,114 -4.45,115 -4.38,116 -4.13,120 39.1,121 1,125 1,143 6,144 1,145 1,147 1,148 2,153 2,154 1,158 1,159 1,164 1,165 1,166 1,167 4,170 1,174 5,176 3,177 4,179 1,180 2,185 8,188 5,189 8,191 3,192 4,194 1,197 5,200 6,201 9,203 1,204 3,206 3,209 1,213 5,214 12,216 1,217 1,219 4,222 1,224 1,226 3,227 13,230 1,232 4,237 2,239 5,240 10,242 1,243 4,244 1,245 2,246 1,247 1,249 1,251 5,252 9,254 2,255 2,257 1,260 4,262 1,264 4,271 6,274 1806,275 20.938,276 20.938,277 20.938,278 20.938,279 20.938,280 18.033,281 20.121,282 12.168,283 21.728,284 16.681,285 16.681,286 16.681,287 16.681,288 16.681,289 12.31,290 18.39,291 5.653,292 17.935,293 3.531,294 1.202,295 0.631,296 0.25,297 0.25,298 0.25,299 4.161,304 1,306 1,307 1,308 741,309 3.674,312 280.635,313 97.921,320 1.584,321 34.009,324 0.75,325 0.67,326 0.83,327 0.3,329 0.67,330 0.5,331 0.53,332 69.333,333 344,334 4.656,335 3.619,336 7.011,337 4.264,338 3.301,339 4.392,340 0.98,341 11.985,342 3.182,343 4.254,344 3.235,345 6.286,346 3.788,347 2.869,348 3.863,349 0.86,350 9.314,351 2.687,352 4.178,353 3.142,354 6.068,355 3.748,356 2.804,357 3.796,358 0.782,359 8.755,360 2.607,361 3.974,362 2.897,363 5.742,364 3.564,365 2.592,366 3.52,368 7.756,369 2.511,370 3.644,371 2.786,372 5.337,373 3.199,374 2.259,375 2.973,377 6.598,378 2.13,379 3.513,380 2.623,381 4.993,382 3.007,383 2.137,384 2.787,386 5.858,387 1.798,388 3.24,389 2.028,390 4.957,391 2.825,392 1.867,393 2.498,395 5.403,396 1.764,397 2.817,398 1.707,399 4.358,400 2.366,401 1.436,402 1.891,404 3.902,405 1.318,406 2.705,407 1.676,408 3.988,409 2.224,410 1.246,411 1.789,413 3.083,414 1.212,415 2.653,416 1.316,417 3.761,418 2.107,419 1.168,420 1.644,422 2.721,423 1.097,424 2.56,425 1.202,426 3.697,427 2.072,428 1.117,429 1.583,431 2.538,432 1.007,433 2.297,434 0.95,435 3.471,436 1.804,437 0.818,438 1.194,440 2.125,441 0.801,442 2.201,443 0.937,444 3.394,445 1.677,446 0.736,447 1.061,449 1.962,450 0.684,451 2.173,452 0.845,453 3.267,454 1.565,455 0.664,456 0.99,458 1.654,459 0.578,460 1.583,461 0.74,462 2.855,463 1.293,464 0.427,465 0.48,467 0.622,468 0.366,469 14.748,470 0.476,471 0.784,472 0.025,473 42.5,474 1.371,475 22,476 0.71,477 20.5,478 0.661,479 25.302,480 0.816,481 32.652,482 0.71,483 34.354,484 1.108,485 8.748,486 0.282,487 6.225,488 0.201,489 0.166,491 0.366,496 0.662,497 0.964,498 0.588,499 0.782,500 0.684,501 0.754,502 0.82,503 1.081,504 0.543,505 0.785,506 0.65,507 0.722,508 0.842,509 1.099,510 0.944,511 1.038,512 0.883,513 0.985,514 0.952,515 1.119,516 0.95,517 1.062,518 0.873,519 1.016,520 0.843,521 1.099,522 0.653,523 0.892,524 0.894,525 0.907,526 1.282,527 1.194,528 0.93,529 1.027,530 1.765,531 1.005,532 1.161,533 1.008,534 0.796,535 0.797,536 1.4,537 0.888,538 1.202,539 0.842,540 0.909,541 0.766,542 1.328,543 0.941,544 6,545 0.209,546 4,547 2.25,548 1.857,549 1.125,550 0.749,551 0.635,552 0.342,553 0.244,554 12271,555 46181,556 2.065,557 32.6,559 9,562 3,563 3,567 1.743,568 1.918,569 3.403,570 1.036,572 1,575 91.667,576 1.993,577 4.322,578 4.893,579 5.273,580 5.273,581 5.273,582 2.816,583 4.761,584 4.923,585 3.592,586 1670.18,587 8.635,588 23591.3,593 254.084,594 1.462,595 4.877,596 0.176,597 0.007,598 0.083,599 0.048,600 0.038,601 0.023,602 0.016,603 0.014,604 0.009,605 0.008,606 0.422,607 0.17,608 1,609 0.744,610 159.653,611 0.102,612 0.195,613 0.027,614 0.098,615 -0.067,616 0.041,617 0.022,618 -0.004,619 0.256,620 0.188,621 0.045,622 0.179,623 0.064,624 -0.022,625 -0.105,626 -0.101,627 0.052,628 -0.114,629 -0.039,630 -0.035,631 -0.184,632 -0.174,633 -0.009,634 -0.161,635 0.038,636 -0.105,637 0.089,638 -0.05,639 0.063,640 0.034,641 -0.15,642 -0.226,643 -0.09,644 -0.17,645 -0.185,646 -0.113,647 0.047,648 -0.004,649 -0.048,650 0.011,651 0.095,652 -0.05,653 -0.058,654 0.154,655 -0.07,656 0.109,657 -0.095,658 -0.045,659 2.249,660 5.923,661 0.677,662 30.976,663 1.038,664 1.133,665 3.219,666 10.361,667 0.717,668 3.555,669 3.892,670 4.19,671 4.466,672 4.605,673 4.727,674 4.844,675 4.949,676 5.011,677 5.017,678 6.69,679 0.705,680 458.93,681 3.555,682 5.106,683 5.969,684 6.858,685 7.741,686 8.637,687 9.53,688 10.431,689 11.329,690 12.233,691 17.4,695 1,698 1,699 1,700 1,701 4,709 6,710 4,712 1,713 1,714 8,715 1,716 21,728 1,735 1,737 1,738 46,739 23,740 1,741 34,743 49,744 18,745 14,746 2,747 4,748 2,752 4,753 4,754 1,755 1,759 1,768 16,769 2,772 2,778 1,781 1,782 2,786 1,789 15,790 10,791 3,792 13,793 2,797 8,803 1,804 3,822 3,823 1,855 4,857 1,859 2,860 1,862 31,863 1,871 1,872 1,880 1,883 1,885 1,886 6.5,889 1,891 2,893 16.167,894 9.093,895 6.861,896 2.407,898 3.393,899 1.451,900 0.986,901 6.315,902 10.914,903 3.861,904 4.491,905 5.105,906 5.71,907 6.082,908 6.467,909 6.857,910 7.249,911 7.591,912 7.839,913 1,914 47,915 11.33,917 4.82,918 7.955,919 20.808,921 16.43,924 2.455,925 76.111,928 1,929 141.253,930 136.935,931 141.622,932 39.149,933 46.106,935 31.278,936 105.657,937 226.508,938 141.622,939 19.708,940 17.888,941 89.755,942 105.003,943 52.26,944 47.92,945 172.531,947 141.253,948 247.279,949 46.106,950 70.426,952 141.253,953 46.106,956 49.583,957 125.299,958 72.397,959 70.426,960 141.253,961 187.727,962 176.084,965 141.253,966 60.369,967 78.342,968 17.888,969 207.211,970 141.253,971 187.727,972 176.084,973 0.583,974 0.351,975 0.19,976 0.098,977 23,978 11,979 0.122,980 6,982 1,983 4.125,984 285.667,986 21,987 151.58,989 1,993 21.428,994 9.136,995 4.463,997 185.951,998 10.587,999 15.335,1001 4.665,1002 1.349,1003 2.999,1004 1.269,1005 50.785,1006 505.064,1007 46.5,1013 12.923,1016 4.138,1017 0.006,1020 47.731,1021 52.139,1022 0.361,1023 0.782,1024 0.886,1025 0.955,1026 0.955,1027 0.955,1028 5.095,1029 1.436,1030 5.964,1031 5.403,1032 4.575,1033 5.179,1034 1.727,1035 6.801,1036 4.452,1037 6.324,1038 1.246,1039 7.542,1040 3.902,1041 4.205,1042 4.987,1044 7.776,1045 4.006,1046 7.644,1047 1.168,1048 9.221,1049 3.083,1050 6.192,1051 7.399,1052 1.545,1053 10.904,1054 5.973,1055 9.003,1056 1.117,1057 10.962,1058 2.721,1059 6.673,1060 8.075,1062 12.751,1063 6.392,1064 10.394,1065 0.818,1066 12.742,1067 2.538,1068 8.116,1069 9.903,1070 1.396,1071 15.412,1072 7.813,1073 11.809,1074 0.736,1075 14.552,1076 2.125,1077 8.967,1078 10.975,1080 17.619,1081 8.613,1082 13.241,1083 0.664,1084 16.383,1085 1.962,1086 10.215,1087 12.572,1088 1.275,1089 20.14,1090 9.835,1091 3.301,1092 0.427,1093 18.231,1094 1.654,1095 11.234,1096 13.835,1098 22.5,1099 10.811,1100 2.869,1101 11.985,1102 20.093,1103 0.622,1104 12.415,1105 15.337,1106 1.177,1107 24.983,1108 11.964,1109 2.804,1110 9.314,1111 21.966,1112 4.392,1113 13.511,1114 16.694,1116 27.41,1117 13.022,1118 2.592,1119 8.755,1120 23.848,1121 3.863,1122 14.675,1123 18.161,1124 1.098,1125 29.885,1126 14.156,1127 2.259,1128 7.756,1129 25.739,1130 3.796,1131 15.809,1132 19.566,1134 32.341,1135 15.256,1136 2.137,1137 6.598,1138 27.636,1139 3.52,1140 16.972,1141 21.022,1142 1.033,1143 34.816,1144 16.388,1145 1.867,1146 5.858,1147 29.54,1148 2.973,1149 18.126,1150 22.453,1152 37.286,1153 17.51,1154 11790,1155 23101,1156 22.482,1157 32.96,1158 52.083,1159 52.799,1160 53.663,1161 51.536,1162 51.335,1163 69.451,1164 5.244,1165 149.553,1166 47.93,1167 5.46,1168 5.619,1169 6.6,1170 5.363,1171 5.301,1172 7.392,1173 1.96,1174 19.485,1175 5.182,1176 16.402,1177 1.532,1178 1.553,1179 1.578,1180 1.516,1181 1.51,1182 2.043,1183 0.154,1184 4.399,1185 1.41,1186 4.06,1187 4.105,1188 4.332,1189 3.949,1190 7.43,1191 3.938,1192 3.887,1193 3.896,1194 4.041,1195 3.903,1196 5.444,1197 3.848,1198 3.819,1199 3.853,1200 3.781,1201 3.614,1202 5.033,1203 3.656,1204 3.646,1205 3.686,1206 3.637,1207 3.378,1208 4.927,1209 3.434,1210 3.421,1211 3.489,1212 3.467,1213 3.225,1214 4.85,1215 3.23,1216 3.24,1217 3.306,1218 3.196,1219 2.966,1220 4.825,1221 2.978,1222 3.134,1223 3.203,1224 3.052,1225 2.824,1226 4.637,1227 2.867,1228 2.81,1229 2.94,1230 2.977,1231 2.641,1232 4.356,1233 2.64,1234 0.137,1235 0.106,1236 0.206,1237 0.125,1238 0.097,1239 4.656,1240 0.129,1241 3.619,1242 0.029,1243 7.011,1244 0.352,1245 4.264,1246 0.094,1247 3.301,1248 4.392,1249 0.98,1250 11.985,1251 3.182,1252 1.914,1253 1.894,1254 2.004,1255 2.011,1256 1.119,1257 2.007,1258 1.649,1259 1.614,1260 1.784,1261 1.83,1262 0.89,1263 1.815,1264 1.527,1265 1.488,1266 1.604,1267 1.761,1268 0.685,1269 1.713,1270 1.418,1271 1.4,1272 1.553,1273 1.622,1274 0.627,1275 1.594,1276 1.369,1277 1.34,1278 1.544,1279 1.533,1280 0.566,1281 1.53,1282 1.192,1283 1.121,1284 1.451,1285 1.498,1286 0.409,1287 1.507,1288 1.058,1289 1.019,1290 1.205,1291 1.477,1292 0.377,1293 1.411,1294 1.036,1295 0.962,1296 1.086,1297 1.225,1298 0.166,1299 1.207,1300 4.234,1302 5.565,1303 3.434,1304 7.072,1305 5.733,1306 8.664,1307 7.766,1308 10.305,1310 3.292,1311 5.957,1313 5.813,1317 2.493,1318 5.284,1326 32.437,1327 91.667,1328 198.8,1329 225.064,1330 242.574,1331 242.574,1332 242.574,1333 57.378,1334 7.52,1335 146.34,1336 174.58,1337 21,1338 12.754,1339 4.585,1340 3.755,1341 49.129,1342 118,1343 144,1344 0.194,1345 207.465,1346 345.97,1347 497.973,1348 17579,1349 2.2,1350 21.957,1351 0.708,1352 0.574,1353 22.811,1354 17.808,1355 14.974,1356 0.44,1357 0.293,1358 8.671,1359 13.428,1360 8.362,1361 6.968,1362 15.67,1363 9.959,1364 13.466,1365 0.281,1366 0.164,1367 14.704,1368 7.86,1369 11.593,1370 0.178,1371 0.085,1372 12.672,1373 5.52,1374 9.557,1375 0.111,1376 0.043,1377 10.536,1378 3.69,1379 7.088,1380 0.072,1381 0.023,1382 7.939,1383 2.26,1384 0.3,1385 103.343,1386 0.211,1387 28.851,1388 0.547,1389 164,1390 605.786,1391 233.954,1392 629.204,1393 849.63,1394 584,1395 195,1396 613.373,1397 250.398,1398 633.685,1399 917.31,1400 591,1401 4.286}
{0 CHEMBL1303115,1 1.582,2 11,3 5.351,4 28.629,5 99.203,6 9.038,7 0.75,8 3.761,9 3.845,10 3.554,11 3.47,12 4.99,13 3.433,14 4.199,15 4.298,16 3.948,17 3.812,18 5.376,19 3.766,20 4.379,21 4.545,22 3.854,23 3.867,24 5.464,25 3.76,26 4.305,27 4.483,28 3.761,29 3.739,30 5.484,31 3.647,32 4.222,33 4.389,34 3.736,35 3.652,36 5.492,37 3.573,38 4.107,39 4.258,40 3.589,41 3.568,42 5.345,43 3.498,44 4.051,45 4.209,46 3.507,47 3.49,48 5.18,49 3.402,50 3.965,51 4.15,52 3.287,53 3.408,54 4.972,55 3.272,56 0.018,57 0.481,58 5.174,59 2.958,60 7.128,61 3.26,62 0.083,63 0.786,64 10.121,65 4.914,66 7.801,67 5.381,68 0.141,69 0.969,70 16.993,71 7.276,72 19.615,73 7.826,74 0.197,75 0.923,76 14.655,77 6.27,78 24.535,79 7.141,80 0.185,81 0.87,82 16.154,83 6.195,84 31.984,85 6.177,86 0.124,87 0.736,88 12.502,89 5.173,90 24.573,91 5.155,92 0.154,93 0.679,94 11.05,95 4.755,96 20.986,97 4.888,98 0.103,99 0.629,100 12.524,101 5.217,102 14.006,103 5.798,104 3,105 38,106 0.274,107 0.54,108 0.674,109 0.829,110 0.873,111 0.873,112 3.266,113 0.914,114 -4.12,115 -4.07,116 -3.85,120 52.6,136 1,137 1,143 11,144 1,147 1,153 2,154 1,159 1,163 1,174 12,177 7,180 1,182 2,185 13,189 5,194 2,197 11,200 1,201 5,204 1,206 2,209 8,213 1,214 6,219 1,222 7,227 7,232 1,235 7,240 5,245 1,247 9,252 1,257 1,260 7,263 1,264 2,267 1,269 2,271 5,274 858,275 17.472,276 17.472,277 17.472,278 17.472,279 17.472,280 14.754,281 6.818,282 10.528,283 17.793,284 13.836,285 13.836,286 13.836,287 13.836,288 13.836,289 9.711,290 4.717,291 4.993,292 14.423,293 3.666,294 2.134,295 1.36,296 0.463,297 0.211,298 0.211,299 3.968,306 1,307 1,308 609,309 3,312 125.165,313 162.484,316 108.64,320 1.76,321 15.946,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 52.5,333 275,334 4.464,335 4.558,336 6.248,337 3.937,338 3,339 4.403,340 2.95,341 9.502,342 2.878,343 4.319,344 4.068,345 6.16,346 3.881,347 2.887,348 3.906,349 2.035,350 9.132,351 2.818,352 4.059,353 3.206,354 5.667,355 3.624,356 2.659,357 3.633,359 7.909,360 2.568,361 3.567,362 2.811,363 5.193,364 3.083,365 2.175,366 2.907,368 6.472,369 1.957,370 3.475,371 2.699,372 4.743,373 2.846,374 1.877,375 2.743,377 5.188,378 1.797,379 3.162,380 2.288,381 4.414,382 2.608,383 1.644,384 2.298,386 4.312,387 1.572,388 3.032,389 1.799,390 4.333,391 2.495,392 1.532,393 2.242,395 4.135,396 1.474,397 2.943,398 1.532,399 3.603,400 2.321,401 1.347,402 1.96,404 2.944,405 1.301,406 2.816,407 1.453,408 3.483,409 2.133,410 1.146,411 1.761,413 2.602,414 1.129,415 2.5,416 1.157,417 3.283,418 2,419 1,420 1.5,422 2.136,423 1,424 2.46,425 1,426 3.247,427 1.729,428 0.741,429 1.098,431 1.753,432 0.729,433 2.186,434 0.852,435 3,436 1.295,437 0.347,438 0.584,440 0.86,441 0.328,442 1.847,443 0.515,444 2.916,445 1.241,446 0.291,447 0.521,449 0.47,450 0.275,451 1.105,452 0.347,453 2.666,454 0.69,455 -0.173,456 -0.218,458 -0.483,459 -0.146,460 0.882,461 0.198,462 2.344,463 0.454,464 -0.523,465 -0.686,467 -1.315,468 -0.51,469 12.367,470 0.495,471 0.444,472 0.018,473 38.75,474 1.55,475 23,476 0.92,477 15.75,478 0.63,479 15.089,480 0.604,481 23.633,482 0.622,483 25.304,484 1.012,485 7.696,486 0.308,487 4.618,488 0.185,489 0.032,491 0.283,496 0.855,497 0.938,498 0.67,499 0.775,500 0.564,501 0.73,502 0.768,503 1.17,504 0.785,505 1.132,506 0.514,507 0.981,508 1.181,509 1.028,510 1.162,511 1.051,512 0.758,513 1.002,514 0.897,515 1.016,516 0.979,517 0.984,518 0.985,519 0.994,520 1.463,521 1.026,522 1.279,523 1.09,524 1.415,525 0.904,526 1.641,527 1.005,528 1.203,529 1.06,530 1.731,531 0.978,532 1.793,533 0.895,534 1.045,535 0.934,536 1.323,537 0.991,538 1.056,539 1.064,540 1.274,541 1.153,542 0.663,543 1.113,544 4.5,545 0.11,546 1.778,547 1.799,548 0.653,549 0.716,550 0.274,551 0.248,552 0.118,553 0.1,554 8230,555 22927,556 2.179,557 34.2,559 12,562 1,567 1.675,568 2.113,569 3.44,570 -0.356,575 60.122,576 1.582,577 3.114,578 3.888,579 4.785,580 5.037,581 5.037,582 2.869,583 3.734,584 4.618,585 3.614,586 1084.22,587 7.958,588 13561.2,593 199.421,594 1.078,595 4.606,596 0.161,597 0.006,598 0.047,599 0.053,600 0.021,601 0.024,602 0.01,603 0.011,604 0.006,605 0.006,606 0.345,607 0.33,608 1,609 0.557,610 122.425,611 -0.049,612 -0.016,613 0.052,614 0.037,615 -0.011,616 0.037,617 0.18,618 -0.239,619 0.078,620 -0.24,621 0.004,622 -0.163,623 -0.144,624 -0.053,625 -0.058,626 0.003,627 -0.042,628 -0.024,629 0.177,630 -0.003,631 0.018,632 -0.008,633 0.049,634 -0.034,635 -0.038,636 0.042,637 -0.064,638 0.006,639 0.045,640 0.05,641 -0.24,642 -0.005,643 -0.164,644 -0.059,645 -0.204,646 -0.063,647 -0.273,648 0.056,649 -0.053,650 0.054,651 -0.248,652 -0.048,653 -0.128,654 -0.128,655 -0.119,656 -0.051,657 -0.015,658 -0.061,659 1.102,660 3.383,661 0.8,662 22.573,663 1.003,664 1.097,665 2.893,666 8.368,667 0.761,668 3.367,669 3.664,670 3.932,671 4.205,672 4.331,673 4.344,674 4.5,675 4.585,676 4.585,677 4.673,678 6.632,679 0.726,680 343.43,681 3.367,682 4.89,683 5.733,684 6.6,685 7.456,686 8.327,687 9.189,688 10.061,689 10.926,690 11.798,691 7.9,699 1,700 1,701 1,708 2,709 11,710 1,711 1,712 1,714 4,716 21,738 38,739 23,740 2,741 28,743 41,744 20,745 17,746 3,747 9,748 2,752 4,753 5,767 1,768 19,772 1,780 1,782 1,788 1,789 13,790 3,791 1,792 5,793 1,794 1,797 3,803 0.75,804 1,822 2,823 2,826 1,833 1,845 1,846 1,855 3,856 1,857 1,862 25,873 1,877 1,882 1,884 1,886 2.6,891 1,893 11.833,894 6.983,895 5.556,896 2.185,898 4.48,899 1.608,900 1.041,901 4.325,902 11.845,903 3.75,904 4.357,905 4.994,906 5.608,907 6.056,908 6.331,909 6.803,910 7.212,911 7.371,912 7.792,913 1,914 34,915 9.152,917 3.871,918 7.7,919 17.431,921 14.176,924 2.2,925 55,929 141.253,930 183.152,931 64.63,933 9.507,935 32.22,936 150.932,937 150.761,938 64.63,941 113.715,942 33.387,943 70.375,944 7.593,945 173.473,947 141.253,948 215.562,949 9.507,950 32.22,952 141.253,953 9.507,956 54.496,957 134.805,958 26.262,959 32.22,960 141.253,961 74.138,962 183.152,965 141.253,966 52.835,967 113.715,968 33.387,969 57.352,970 141.253,971 74.138,972 183.152,973 0.569,974 0.335,975 0.19,976 0.097,977 19,978 7,979 0.098,980 4,981 1,982 1.1,983 3.907,984 203.18,985 0.1,986 20,987 112.096,989 1,993 15.621,994 6.922,995 3.471,996 1.917,997 57.352,998 21.161,999 4.522,1000 3.255,1001 5.813,1003 2.997,1005 16.786,1006 398.543,1007 41.5,1015 1.748,1017 0.565,1020 38.127,1021 41.7,1022 0.301,1023 0.593,1024 0.741,1025 0.912,1026 0.96,1027 0.96,1028 4.958,1029 1.347,1030 5.687,1031 4.135,1032 4.344,1033 5.043,1034 3.284,1035 6.454,1036 4.265,1037 6.176,1038 1.146,1039 7.207,1040 2.944,1041 3.761,1042 4.677,1044 7.209,1045 3.622,1046 7.474,1047 1,1048 8.823,1049 2.602,1050 5.889,1051 7.28,1052 5.23,1053 10.301,1054 5.736,1055 8.809,1056 0.741,1057 10.498,1058 2.136,1059 6.176,1060 7.828,1062 11.908,1063 5.97,1064 10.175,1065 0.347,1066 12.209,1067 1.753,1068 7.708,1069 9.793,1070 7.287,1071 14.459,1072 7.488,1073 11.565,1074 0.291,1075 13.947,1076 0.86,1077 8.404,1078 10.793,1080 16.418,1081 8.139,1082 12.972,1083 -0.173,1084 15.703,1085 0.47,1086 9.68,1087 12.477,1088 9.398,1089 18.77,1090 9.397,1091 3,1092 -0.523,1093 17.473,1094 -0.483,1095 10.575,1096 13.707,1098 20.881,1099 10.249,1100 2.887,1101 9.502,1102 19.252,1103 -1.315,1104 11.738,1105 15.264,1106 11.535,1107 23.158,1108 11.388,1109 2.659,1110 9.132,1111 21.04,1112 4.403,1113 12.727,1114 16.61,1116 25.335,1117 12.337,1118 2.175,1119 7.909,1120 22.833,1121 3.906,1122 13.84,1123 18.111,1124 13.686,1125 27.584,1126 13.422,1127 1.877,1128 6.472,1129 24.631,1130 3.633,1131 14.875,1132 19.516,1134 29.791,1135 14.417,1136 1.644,1137 5.188,1138 26.434,1139 2.907,1140 15.967,1141 20.994,1142 15.844,1143 32.029,1144 15.478,1145 1.532,1146 4.312,1147 28.239,1148 2.743,1149 17.024,1150 22.43,1152 34.251,1153 16.497,1154 7651,1155 12929,1156 19.474,1157 28.926,1158 43.129,1159 45.987,1160 42.006,1161 41.406,1162 41.29,1163 59.112,1164 9.969,1165 114.83,1166 39.652,1167 5.246,1168 6.558,1169 6.05,1170 5.112,1171 5,1172 7.403,1173 5.9,1174 15.796,1175 4.878,1176 6.454,1177 1.54,1178 1.642,1179 1.5,1180 1.479,1181 1.475,1182 2.111,1183 0.356,1184 4.101,1185 1.416,1186 4.095,1187 4.132,1188 4.171,1189 3.992,1190 6.82,1191 3.995,1192 3.968,1193 3.987,1194 3.936,1195 3.899,1196 5.096,1197 3.9,1198 3.828,1199 3.838,1200 3.829,1201 3.734,1202 4.999,1203 3.731,1204 3.427,1205 3.464,1206 3.499,1207 3.353,1208 4.748,1209 3.337,1210 3.348,1211 3.403,1212 3.316,1213 3.206,1214 4.329,1215 3.207,1216 2.911,1217 2.979,1218 2.955,1219 2.778,1220 4.001,1221 2.771,1222 2.854,1223 2.925,1224 2.79,1225 2.735,1226 3.852,1227 2.715,1228 2.802,1229 2.863,1230 2.702,1231 2.689,1232 3.674,1233 2.655,1234 0.159,1235 0.163,1236 0.223,1237 0.141,1238 0.107,1239 4.464,1240 0.157,1241 4.558,1242 0.105,1243 6.248,1244 0.339,1245 3.937,1246 0.103,1247 3,1248 4.403,1249 2.95,1250 9.502,1251 2.878,1252 1.93,1253 1.907,1254 2.036,1255 2.006,1256 1.112,1257 2.013,1258 1.91,1259 1.881,1260 2.01,1261 2,1262 1.097,1263 2.01,1264 1.588,1265 1.562,1266 1.708,1267 1.701,1268 0.785,1269 1.699,1270 1.474,1271 1.465,1272 1.504,1273 1.636,1274 0.607,1275 1.631,1276 1.277,1277 1.224,1278 1.404,1279 1.466,1280 0.429,1281 1.46,1282 1.068,1283 1.055,1284 1.181,1285 1.318,1286 0.218,1287 1.262,1288 0.945,1289 0.892,1290 1.132,1291 1.129,1292 0.197,1293 1.131,1294 0.886,1295 0.821,1296 1.125,1297 1.062,1298 0.182,1299 1.107,1300 4.043,1302 5.342,1303 3.045,1304 6.825,1305 5.352,1306 8.388,1307 7.391,1308 9.991,1319 1.419,1324 9.383,1325 2.219,1326 27.6,1327 60.122,1328 118.348,1329 147.758,1330 181.812,1331 191.421,1332 191.421,1333 30.05,1334 7.365,1335 65.61,1336 90.91,1337 22,1338 12.341,1339 4.585,1340 3.858,1341 36.129,1342 102,1343 82,1344 0.174,1345 173.425,1346 290.14,1347 414.917,1348 16615,1350 17.062,1351 0.682,1352 0.558,1353 17.416,1354 13.956,1355 12.314,1356 0.44,1357 0.305,1358 7.718,1359 11.594,1360 7.488,1361 6.226,1362 12.722,1363 8.53,1364 10.725,1365 0.282,1366 0.167,1367 11.42,1368 6.347,1369 9.132,1370 0.183,1371 0.089,1372 9.818,1373 4.466,1374 7.854,1375 0.119,1376 0.049,1377 8.684,1378 3.249,1379 5.965,1380 0.08,1381 0.029,1382 6.857,1383 2.166,1384 0.279,1385 79.953,1386 0.227,1387 24.662,1388 0.463,1389 132,1390 378.219,1391 168.91,1392 398.585,1393 555.31,1394 374,1395 154,1396 404.494,1397 183.054,1398 428.096,1399 623.66,1400 404,1401 4.627}
{0 CHEMBL1303404,1 1.462,2 10.583,3 3.374,4 11.382,5 96.524,6 7.01,7 0.593,8 3.934,9 4.065,10 3.472,11 3.447,12 4.947,13 3.426,14 4.49,15 4.688,16 3.818,17 3.84,18 5.428,19 3.804,20 4.687,21 4.9,22 3.828,23 3.995,24 5.578,25 3.91,26 4.782,27 5.035,28 3.697,29 3.988,30 5.598,31 3.852,32 4.732,33 5.019,34 3.61,35 3.87,36 5.509,37 3.73,38 4.492,39 4.73,40 3.535,41 3.735,42 5.362,43 3.633,44 4.418,45 4.666,46 3.374,47 3.619,48 5.289,49 3.506,50 4.304,51 4.562,52 3.188,53 3.461,54 5.099,55 3.331,56 0.033,57 0.705,58 10.309,59 4,60 7.723,61 5.649,62 0.228,63 1.144,64 19.674,65 6.281,66 18.528,67 9.199,68 0.235,69 1.347,70 23.979,71 8.312,72 21.945,73 12.141,74 0.215,75 1.381,76 27.03,77 9.841,78 25.695,79 14.5,80 0.336,81 1.249,82 26.627,83 9.319,84 28.501,85 13.996,86 0.165,87 1.059,88 20.056,89 6.904,90 20.001,91 10.24,92 0.211,93 0.983,94 18.829,95 6.032,96 22.195,97 9.107,98 0.179,99 0.821,100 17.025,101 5.898,102 16.75,103 8.614,104 6,105 38,106 0.251,107 0.572,108 0.734,109 0.837,110 0.837,111 0.837,112 3.229,113 0.923,114 -3.68,115 -3.64,116 -3.47,120 41.3,125 2,126 4,143 7,144 1,145 2,147 1,153 1,162 1,174 5,177 6,180 1,182 2,185 5,188 1,189 6,194 4,197 3,200 1,201 3,206 1,209 2,213 1,214 3,217 2,219 1,222 5,227 2,235 4,239 1,240 4,247 3,252 2,255 1,260 1,263 1,264 2,274 754,275 16.558,276 16.558,277 16.558,278 16.558,279 16.558,280 14.812,281 16.42,282 9.672,283 17.071,284 13.291,285 13.291,286 13.291,287 13.291,288 13.291,289 10.539,290 23.187,291 4.56,292 14.03,293 4.061,294 2.187,295 1.243,296 0.642,297 0.642,298 0.642,299 3.93,305 1,306 1,307 1,308 558,309 2.236,312 49.108,313 207.65,316 90.708,320 1.785,321 11.989,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51,333 254,334 4.541,335 3.193,336 6.416,337 4.064,338 3.106,339 4.472,340 0.86,341 10.04,342 2.976,343 4.149,344 3.029,345 6.148,346 3.797,347 2.845,348 3.761,349 0.8,350 9.102,351 2.721,352 3.904,353 2.828,354 5.885,355 3.575,356 2.621,357 3.277,358 0.8,359 8.223,360 2.486,361 3.55,362 2.614,363 5.258,364 3.235,365 2.306,366 2.853,368 6.584,369 2.14,370 3.339,371 2.385,372 5.04,373 3.112,374 2.174,375 2.395,377 6.072,378 2.032,379 3.03,380 1.651,381 4.469,382 2.497,383 1.532,384 2.292,386 4.426,387 1.476,388 2.845,389 1.54,390 4.311,391 2.436,392 1.491,393 1.979,395 4.058,396 1.404,397 2.647,398 1.434,399 4.172,400 2.288,401 1.321,402 1.682,404 3.484,405 1.273,406 2.491,407 1.146,408 3.48,409 1.991,410 1.017,411 1.488,413 2.496,414 0.989,415 2,416 1.024,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.896,425 0.933,426 3.165,427 1.378,428 0.432,429 0.623,431 1.116,432 0.407,433 1.583,434 0.455,435 2.714,436 1.293,437 0.426,438 0.48,440 0.621,441 0.366,442 0.981,443 0.002,444 2.649,445 0.79,446 -0.165,447 -0.177,449 -0.378,450 -0.157,451 0.798,452 -0.378,453 2.499,454 0.412,455 -0.564,456 -0.748,458 -1.347,459 -0.548,460 0.633,461 -0.54,462 2.203,463 0.208,464 -0.747,465 -0.96,467 -1.887,468 -0.701,469 11.433,470 0.476,471 0.533,472 0.022,473 31.5,474 1.313,475 15,476 0.625,477 16.5,478 0.688,479 17.954,480 0.748,481 25.767,482 0.56,483 21.335,484 0.889,485 6.359,486 0.265,487 5.366,488 0.224,489 0.087,491 0.332,496 0.959,497 1.504,498 0.827,499 1.173,500 0.874,501 1.011,502 1.459,503 1.028,504 0.935,505 0.803,506 0.93,507 0.799,508 1.145,509 1.09,510 1.095,511 1.044,512 0.947,513 1.054,514 0.768,515 1.095,516 1.014,517 1.119,518 0.95,519 1.098,520 0.554,521 0.816,522 0.768,523 0.82,524 0.67,525 0.82,526 1.026,527 1.105,528 1.01,529 1.035,530 1.162,531 1.017,532 1.137,533 0.992,534 1.169,535 1.029,536 1.344,537 1.074,538 1.083,539 0.974,540 1.036,541 1.03,542 0.986,543 1.032,544 5,545 0.082,546 2.667,547 1.229,548 1.263,549 0.709,550 0.475,551 0.325,552 0.16,553 0.109,554 6782,555 14727,556 2.161,557 47.8,559 21,562 1,567 1.666,568 2.057,569 3.391,570 -0.342,571 1,572 1,575 67.266,576 1.462,577 3.336,578 4.281,579 4.882,580 4.882,581 4.882,582 2.887,583 4.335,584 4.553,585 3.501,586 966.283,587 7.845,588 11242.2,590 1,592 1,593 254.084,594 1.281,595 4.532,596 0.185,597 0.007,598 0.07,599 0.033,600 0.041,601 0.024,602 0.018,603 0.015,604 0.009,605 0.007,606 0.409,607 0.67,608 1,609 0.681,610 114.262,611 0.002,612 -0.299,613 0.087,614 -0.118,615 0.013,616 -0.023,617 -0.153,618 0.109,619 0.052,620 0.157,621 0.081,622 0.134,623 -0.133,624 -0.003,625 -0.136,626 -0.06,627 -0.011,628 -0.091,629 0.006,630 -0.116,631 -0.059,632 -0.123,633 -0.024,634 -0.103,635 0.241,636 0.103,637 0.213,638 0.156,639 0.245,640 0.176,641 -0.09,642 -0.08,643 -0.044,644 -0.055,645 -0.11,646 -0.043,647 -0.139,648 0.064,649 -0.19,650 -0.089,651 -0.238,652 -0.131,653 -0.032,654 -0.017,655 -0.05,656 -0.056,657 -0.017,658 -0.057,659 0.828,660 1.805,661 0.875,662 21.701,663 0.993,664 1.129,665 2.445,666 5.979,667 0.659,668 3.332,669 3.664,670 3.951,671 4.22,672 4.489,673 4.585,674 4.745,675 4.913,676 5.011,677 5.112,678 6.057,679 0.62,680 322.45,681 3.332,682 4.875,683 5.733,684 6.613,685 7.489,686 8.375,687 9.258,688 10.148,689 11.035,690 11.927,691 8.7,694 1,697 1,699 1,701 1,708 2,709 7,710 1,711 1,714 4,716 16,732 1,735 1,738 46,739 16,740 2,741 27,743 49,744 19,745 13,746 5,747 7,752 4,753 5,768 13,769 6,785 1,786 1,789 22,790 4,791 1,792 5,794 1,797 4,803 0.75,804 1,822 1,823 3,826 1,851 1,855 3,859 2,862 24,869 4,872 1,875 2,886 2.2,891 1,893 11.667,894 8.85,895 5.25,896 2.708,898 3.11,899 1.414,900 1.017,901 4.167,902 10.616,903 3.584,904 4.201,905 4.825,906 5.453,907 6.036,908 6.436,909 6.934,910 7.412,911 7.716,912 8.086,913 1,914 37,915 8.853,917 3.71,918 7.458,919 17.436,921 14.438,924 1.958,925 47,928 1,929 247.193,930 111.838,931 39.82,933 11,936 111.838,937 258.193,938 39.82,939 19.279,940 8.423,941 66.334,942 19.113,943 47.364,944 2.144,945 247.193,947 247.193,948 151.658,949 11,952 247.193,953 11,956 32.805,957 102.067,958 16.786,960 247.193,961 50.82,962 111.838,965 247.193,966 26.225,967 91.862,968 16.786,969 27.785,970 247.193,971 50.82,972 111.838,973 0.582,974 0.342,975 0.181,976 0.104,977 20,978 8,979 0.061,980 3,981 1,982 1.095,983 3.701,984 199.795,985 0.095,986 21,987 106.039,993 15.486,994 6.458,995 3.152,996 2.065,997 34.034,998 14.455,999 4.781,1000 3.407,1003 3.997,1005 16.786,1006 409.851,1007 35,1020 45.687,1021 51.939,1022 0.265,1023 0.604,1024 0.775,1025 0.884,1026 0.884,1027 0.884,1028 4.82,1029 1.321,1030 5.714,1031 4.058,1032 4.344,1033 4.887,1034 1.481,1035 6.515,1036 4.244,1037 6.019,1038 1.017,1039 7.263,1040 3.484,1041 3.892,1042 4.677,1043 0.57,1044 7.357,1045 3.728,1046 7.323,1047 1,1048 8.907,1049 2.496,1050 5.932,1051 7.112,1052 1.104,1053 10.435,1054 5.739,1055 8.662,1056 0.432,1057 10.605,1058 2.275,1059 6.293,1060 7.762,1061 0.479,1062 12.089,1063 6.035,1064 10.035,1065 0.426,1066 12.338,1067 1.116,1068 7.788,1069 9.659,1070 0.854,1071 14.663,1072 7.506,1073 11.431,1074 -0.165,1075 14.094,1076 0.621,1077 8.528,1078 10.727,1079 0.346,1080 16.659,1081 8.187,1082 12.845,1083 -0.564,1084 15.867,1085 -0.378,1086 9.794,1087 12.391,1088 0.661,1089 19.049,1090 9.428,1091 3.106,1092 -0.747,1093 17.653,1094 -1.347,1095 10.72,1096 13.671,1097 0.237,1098 21.198,1099 10.3,1100 2.845,1101 10.04,1102 19.449,1103 -1.887,1104 11.888,1105 15.233,1106 0.505,1107 23.518,1108 11.438,1109 2.621,1110 9.102,1111 21.252,1112 4.472,1113 12.907,1114 16.619,1115 0.158,1116 25.738,1117 12.408,1118 2.306,1119 8.223,1120 23.062,1121 3.761,1122 14.035,1123 18.137,1124 0.382,1125 28.032,1126 13.503,1127 2.174,1128 6.584,1129 24.876,1130 3.277,1131 15.1,1132 19.576,1133 0.104,1134 30.286,1135 14.522,1136 1.532,1137 6.072,1138 26.695,1139 2.853,1140 16.215,1141 21.076,1142 0.285,1143 32.573,1144 15.6,1145 1.491,1146 4.426,1147 28.517,1148 2.395,1149 17.303,1150 22.542,1151 0.068,1152 34.844,1153 16.644,1154 6399,1155 9559,1156 18.493,1157 30.33,1158 40.84,1159 40.803,1160 41.593,1161 40.513,1162 40.544,1163 52.6,1164 4.92,1165 116.996,1166 38.471,1167 5.541,1168 5.193,1169 6.006,1170 5.131,1171 5.106,1172 7.472,1173 1.72,1174 16.717,1175 4.976,1176 9.199,1177 1.513,1178 1.511,1179 1.54,1180 1.5,1181 1.502,1182 1.948,1183 0.182,1184 4.333,1185 1.425,1186 4.134,1187 4.175,1188 4.101,1189 4.018,1190 5.082,1191 4.033,1192 3.874,1193 3.916,1194 3.811,1195 3.794,1196 4.825,1197 3.794,1198 3.787,1199 3.846,1200 3.68,1201 3.59,1202 4.463,1203 3.602,1204 3.381,1205 3.449,1206 3.296,1207 3.191,1208 4.346,1209 3.21,1210 3.234,1211 3.306,1212 3.053,1213 2.963,1214 4.191,1215 2.971,1216 3.111,1217 3.206,1218 2.918,1219 2.941,1220 3.877,1221 2.91,1222 3.108,1223 3.203,1224 2.866,1225 2.891,1226 3.718,1227 2.883,1228 2.897,1229 2.968,1230 2.76,1231 2.752,1232 3.561,1233 2.743,1234 0.168,1235 0.118,1236 0.238,1237 0.151,1238 0.115,1239 4.541,1240 0.166,1241 3.193,1242 0.032,1243 6.416,1244 0.372,1245 4.064,1246 0.11,1247 3.106,1248 4.472,1249 0.86,1250 10.04,1251 2.976,1252 1.94,1253 1.907,1254 2.047,1255 2.075,1256 1.307,1257 2.071,1258 1.899,1259 1.876,1260 1.998,1261 2,1262 1.1,1263 2,1264 1.715,1265 1.644,1266 1.908,1267 1.911,1268 1.072,1269 1.915,1270 1.335,1271 1.276,1272 1.578,1273 1.604,1274 0.825,1275 1.583,1276 1.188,1277 1.104,1278 1.542,1279 1.485,1280 0.646,1281 1.506,1282 1.16,1283 1.067,1284 1.513,1285 1.436,1286 0.58,1287 1.454,1288 1.153,1289 1.064,1290 1.42,1291 1.376,1292 0.455,1293 1.429,1294 0.904,1295 0.84,1296 1.119,1297 1.107,1298 0.267,1299 1.117,1300 4.007,1302 5.333,1303 2.398,1304 6.855,1305 4.727,1306 8.461,1307 6.843,1308 10.109,1310 3.856,1315 4.339,1318 5.305,1321 4.795,1326 28.542,1327 67.266,1328 153.478,1329 196.923,1330 224.574,1331 224.574,1332 224.574,1333 25.598,1334 7.505,1335 44.39,1336 44.39,1337 23,1338 12.456,1339 4.087,1340 3.17,1341 33.977,1342 88,1343 88,1344 0.194,1345 174.133,1346 289.43,1347 416.645,1348 17934,1350 16.518,1351 0.688,1352 0.588,1353 16.518,1354 14.12,1355 11.725,1356 0.434,1357 0.308,1358 8.167,1359 11.233,1360 7.921,1361 6.576,1362 11.725,1363 8.305,1364 10.546,1365 0.278,1366 0.166,1367 10.546,1368 6.309,1369 9.186,1370 0.18,1371 0.092,1372 9.186,1373 4.678,1374 7.538,1375 0.113,1376 0.047,1377 7.538,1378 3.163,1379 6.394,1380 0.073,1381 0.026,1382 6.394,1383 2.287,1384 0.304,1385 73.552,1386 0.233,1387 23.468,1388 0.533,1389 130,1390 329.004,1391 141.205,1392 320.123,1393 452.58,1394 304,1395 154,1396 344.193,1397 166.4,1398 352.25,1399 515.18,1400 330,1401 6.796}
{0 CHEMBL1303953,1 1.537,2 8.412,3 3.214,4 10.329,5 69.18,6 8.473,7 0.667,8 3.446,9 3.549,10 3.12,11 3.108,12 4.605,13 3.064,14 3.904,15 4.036,16 3.391,17 3.444,18 5.073,19 3.369,20 4.124,21 4.307,22 3.463,23 3.493,24 5.325,25 3.408,26 4.056,27 4.27,28 3.201,29 3.416,30 5.081,31 3.287,32 3.993,33 4.203,34 3.187,35 3.322,36 5.092,37 3.19,38 3.881,39 4.122,40 2.952,41 3.1,42 4.892,43 2.93,44 3.489,45 3.75,46 2.582,47 2.682,48 4.43,49 2.536,50 3.109,51 3.306,52 2.533,53 2.442,54 4.316,55 2.379,56 0.012,57 0.356,58 4.631,59 2.446,60 4.456,61 3.123,62 0.091,63 0.548,64 10.22,65 4.212,66 13.772,67 5.408,68 0.25,69 0.693,70 13.58,71 5.112,72 37.059,73 6.394,74 0.076,75 0.64,76 13.152,77 5.374,78 16.171,79 7.183,80 0.081,81 0.578,82 12.18,83 5.129,84 22.337,85 6.667,86 0.119,87 0.503,88 14.347,89 4.798,90 24.787,91 6.192,92 0.09,93 0.353,94 10.52,95 3.105,96 13.642,97 4.079,98 0.036,99 0.244,100 4.912,101 1.824,102 7.234,103 2.28,104 8,105 23,106 0.295,107 0.528,108 0.62,109 0.755,110 0.813,111 0.813,112 2.906,113 0.974,114 -4.59,115 -4.52,116 -4.25,120 48.3,126 1,143 9,144 2,145 1,159 1,174 11,180 1,182 2,185 14,189 1,194 3,197 13,201 2,206 1,209 9,214 2,219 1,222 8,227 1,232 2,235 4,240 1,245 2,247 1,252 2,257 1,260 1,264 2,271 2,274 280,275 11.646,276 11.646,277 11.646,278 11.646,279 11.646,280 10.079,281 7.933,282 7.121,283 11.74,284 8.831,285 8.831,286 8.831,287 8.831,288 8.831,289 6.506,290 10.162,291 3.333,292 9.015,293 3.321,294 2.105,295 1.63,296 0.923,297 0.621,298 0.621,299 3.564,300 1,306 1,307 1,308 296,309 2.55,313 113.882,320 1.564,321 11.389,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 35.833,333 143,334 4.247,335 3.629,336 6.143,337 3.871,338 2.874,339 3.891,340 2.092,341 9.057,342 2.866,343 3.878,344 2.871,345 5.466,346 3.529,347 2.554,348 3.337,349 0.466,350 7.321,351 2.477,352 3.514,353 2.461,354 4.783,355 3.09,356 2.093,357 2.79,359 5.343,360 2.066,361 3.21,362 1.904,363 4.413,364 2.759,365 1.764,366 2.472,368 4.403,369 1.749,370 2.631,371 1.82,372 3.502,373 2.151,374 1.156,375 1.69,377 2.694,378 1.148,379 2.5,380 1.191,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.5,389 1,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 1.519,398 1,399 2.859,400 1.135,401 0.404,402 0.431,404 0.622,405 0.235,406 1.308,407 0.545,408 2.347,409 0.819,410 -0.102,411 -0.132,413 -0.209,414 -0.088,415 0.772,416 -0.147,417 2,418 0.36,419 -0.649,420 -0.867,422 -1.523,423 -0.642,424 0.5,425 -0.575,426 1.848,427 0.01,428 -1,429 -1.427,431 -2.266,432 -1,433 0.5,434 -0.918,435 1.555,437 -1,438 -1.5,440 -2.347,441 -1,442 0.484,443 -1,444 1.276,446 -1,447 -1.5,449 -3,450 -1.003,451 -0.196,452 -1,453 1.035,454 -0.532,455 -1.404,456 -1.734,458 -3.087,459 -1.265,460 -0.5,461 -1.475,462 0.88,463 -0.809,464 -1.762,465 -2.037,467 -4.789,468 -1.66,469 8.448,470 0.497,471 0.294,472 0.017,473 24,474 1.412,475 14,476 0.824,477 10,478 0.588,479 9.459,480 0.556,481 17.352,482 0.598,483 14.633,484 0.861,485 4.9,486 0.288,487 3.392,488 0.2,489 0.124,491 0.237,496 0.601,497 1.02,498 0.583,499 0.811,500 0.558,501 0.811,502 0.678,503 1.14,504 0.988,505 1.105,506 0.674,507 1.072,508 0.856,509 0.954,510 0.737,511 0.942,512 1.002,513 0.986,514 0.596,515 1.013,516 0.782,517 1.025,518 0.551,519 1.049,520 0.815,521 1.058,522 0.739,523 0.993,524 0.976,525 1.036,526 1.05,527 1.041,528 1.14,529 1.055,530 1.046,531 1.057,532 1.018,533 0.917,534 1.185,535 0.938,536 0.713,537 0.888,538 1.174,539 1.038,540 0.712,541 0.848,542 1.066,543 0.816,544 3,545 0.033,546 1.556,547 0.688,548 0.453,549 0.368,550 0.26,551 0.137,552 0.082,553 0.044,554 2414,555 8031,556 2.028,557 41.4,559 11,562 1,567 1.563,568 1.925,569 3.081,570 -0.314,572 1,573 1,574 1,575 44.559,576 1.537,577 2.753,578 3.227,579 3.935,580 4.237,581 4.237,582 2.514,583 3.617,584 4.055,585 3.191,586 433.923,587 6.83,588 3974.78,589 1,590 1,592 1,593 140.881,594 1.261,595 4.03,596 0.167,597 0.008,598 0.068,599 0.031,600 0.025,601 0.023,602 0.024,603 0.017,604 0.01,605 0.006,606 0.379,607 0.83,608 1,609 1.325,610 71.468,611 -0.039,612 0.027,613 0.003,614 0.034,615 -0.069,616 0.033,617 0.059,618 -0.138,619 -0.179,620 -0.209,621 -0.03,622 -0.187,623 0.107,624 0.08,625 -0.008,626 -0.046,627 0.02,628 -0.081,629 0.005,630 -0.051,631 -0.029,632 -0.081,633 0.038,634 -0.066,635 -0.006,636 -0.136,637 0.052,638 -0.031,639 -0.017,640 -0.047,641 -0.068,642 -0.126,643 -0.025,644 -0.032,645 -0.083,646 -0.024,647 -0.056,648 0.076,649 0.01,650 0.079,651 0.003,652 0.147,653 -0.033,654 0.004,655 0.145,656 0.07,657 0.115,658 0.106,659 1.862,660 4.093,661 0.706,662 12.789,663 1.002,664 1.108,665 3.364,666 11.316,667 0.72,668 2.944,669 3.178,670 3.367,671 3.526,672 3.714,673 3.611,674 3.714,675 3.714,676 3.555,677 3.367,678 4.988,679 0.68,680 245.72,681 2.944,682 4.419,683 5.22,684 6.047,685 6.868,686 7.702,687 8.53,688 9.368,689 10.199,690 11.039,691 3.4,698 1,709 9,714 3,716 12,738 29,739 13,740 2,741 18,743 30,744 14,745 12,746 3,747 9,750 1,752 2,753 2,754 1,759 1,768 13,769 1,772 1,778 1,782 1,786 1,789 12,790 2,791 1,792 3,793 1,797 1,803 1,804 1,823 2,838 1,855 2,860 1,862 17,869 1,871 1,885 1,886 3.4,889 1,893 8.833,894 5.06,895 3.944,896 1.592,898 2.319,899 1.391,900 0.976,901 3.914,902 8.243,903 3.258,904 3.784,905 4.29,906 4.816,907 5.362,908 5.438,909 5.864,910 6.16,911 6.308,912 6.472,913 0.833,914 22,915 6.227,917 2.527,918 7.84,919 11.782,921 9.194,924 2.34,925 39.778,926 0.002,929 129.482,930 101.968,931 18.011,932 39.149,933 25.145,936 101.968,937 193.776,938 18.011,940 20.86,941 85.286,942 29.85,943 9.128,945 168.631,947 129.482,948 119.979,949 25.145,950 39.149,952 129.482,953 25.145,956 20.86,957 99.119,958 39.149,960 129.482,961 43.156,962 141.117,965 129.482,966 16.682,967 85.286,968 18.011,969 64.294,970 129.482,971 43.156,972 141.117,973 0.557,974 0.317,975 0.159,976 0.088,977 10,978 4,979 0.067,980 2,982 1,983 3.023,984 108.742,986 12,987 61.487,993 11.838,994 5.62,995 3.159,997 43.156,998 17.756,1003 3.035,1005 18.011,1006 313.755,1007 25,1013 11.093,1017 -0.195,1020 29.054,1021 32.143,1022 0.316,1023 0.567,1024 0.664,1025 0.81,1026 0.872,1027 0.872,1028 4.419,1029 0.404,1030 5.153,1031 2.136,1032 3.85,1033 4.466,1034 2.216,1035 5.855,1036 3.815,1037 5.589,1038 -0.102,1039 6.642,1040 0.622,1041 3.219,1042 3.98,1043 1.593,1044 6.555,1045 3.214,1046 6.853,1047 -0.649,1048 8.23,1049 -0.209,1050 5.333,1051 6.562,1052 3.353,1053 9.586,1054 5.275,1055 8.152,1056 -1,1057 9.878,1058 -1.523,1059 5.525,1060 6.863,1061 3.32,1062 11.136,1063 5.476,1064 9.48,1065 -1,1066 11.564,1067 -2.266,1068 7.074,1069 8.907,1070 4.672,1071 13.646,1072 7.001,1073 10.827,1074 -1,1075 13.277,1076 -2.347,1077 7.67,1078 9.614,1079 4.943,1080 15.554,1081 7.597,1082 12.191,1083 -1.404,1084 15.01,1085 -3,1086 8.956,1087 11.383,1088 6.06,1089 17.87,1090 8.872,1091 2.874,1092 -1.762,1093 16.758,1094 -3.087,1095 9.763,1096 12.331,1097 6.506,1098 19.937,1099 9.678,1100 2.554,1101 9.057,1102 18.517,1103 -4.789,1104 10.92,1105 13.938,1106 7.482,1107 22.178,1108 10.83,1109 2.093,1110 7.321,1111 20.285,1112 3.891,1113 11.84,1114 15.038,1115 8.035,1116 24.317,1117 11.749,1118 1.764,1119 5.343,1120 22.06,1121 3.337,1122 12.935,1123 16.546,1124 8.923,1125 26.53,1126 12.842,1127 1.156,1128 4.403,1129 23.84,1130 2.79,1131 13.914,1132 17.741,1133 9.544,1134 28.7,1135 13.82,1136 1,1137 2.694,1138 25.626,1139 2.472,1140 14.981,1141 19.188,1142 10.377,1143 30.904,1144 14.886,1145 1,1146 2.275,1147 27.416,1148 1.69,1149 15.992,1150 20.445,1151 11.04,1152 33.09,1153 15.896,1154 2470,1155 4579,1156 12.019,1157 20.887,1158 25.777,1159 27.402,1160 26.765,1161 25.604,1162 25.69,1163 35.223,1164 5.117,1165 67.7,1166 25.083,1167 5.038,1168 5.629,1169 5.945,1170 4.871,1171 4.874,1172 6.891,1173 3.76,1174 15.131,1175 4.866,1176 7.118,1177 1.432,1178 1.522,1179 1.487,1180 1.422,1181 1.427,1182 1.957,1183 0.284,1184 3.761,1185 1.394,1186 4.004,1187 4.03,1188 3.957,1189 3.954,1190 7.429,1191 3.949,1192 3.77,1193 3.806,1194 3.806,1195 3.688,1196 4.844,1197 3.684,1198 3.518,1199 3.545,1200 3.651,1201 3.338,1202 4.669,1203 3.346,1204 2.98,1205 3.034,1206 3.111,1207 2.882,1208 4.608,1209 2.872,1210 2.854,1211 2.925,1212 2.776,1213 2.735,1214 3.891,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.673,1223 2.75,1224 2.687,1225 2.465,1226 3.674,1227 2.455,1228 2.401,1229 2.443,1230 2.35,1231 2.162,1232 3.483,1233 2.171,1234 0.236,1235 0.202,1236 0.341,1237 0.215,1238 0.16,1239 4.247,1240 0.216,1241 3.629,1242 0.116,1243 6.143,1244 0.503,1245 3.871,1246 0.159,1247 2.874,1248 3.891,1249 2.092,1250 9.057,1251 2.866,1252 1.989,1253 1.966,1254 2.088,1255 2.058,1256 1.19,1257 2.069,1258 1.764,1259 1.731,1260 1.896,1261 1.875,1262 0.954,1263 1.884,1264 1.42,1265 1.39,1266 1.561,1267 1.637,1268 0.732,1269 1.633,1270 0.972,1271 0.928,1272 1.181,1273 1.131,1274 0.294,1275 1.155,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.168,1285 1.062,1286 0.218,1287 1.107,1288 0.628,1289 0.548,1290 0.943,1291 0.899,1293 0.93,1294 0.316,1295 0.26,1296 0.672,1297 0.614,1299 0.634,1300 3.611,1302 4.86,1304 6.315,1306 7.854,1308 9.435,1311 5.417,1315 -0.027,1317 2.699,1326 19.725,1327 44.559,1328 79.823,1329 93.597,1330 114.127,1331 122.881,1332 122.881,1333 22.355,1334 5.924,1335 29.1,1336 29.1,1337 12,1338 11.606,1339 3.807,1340 3,1341 28.627,1342 52,1343 47,1344 0.288,1345 128.908,1346 220.76,1347 306.296,1348 2298,1349 3.4,1350 12.088,1351 0.711,1352 0.585,1353 12.588,1354 9.945,1355 8.292,1356 0.461,1357 0.325,1358 5.319,1359 7.843,1360 5.131,1361 4.277,1362 8.646,1363 5.842,1364 6.928,1365 0.301,1366 0.169,1367 7.132,1368 3.892,1369 5.641,1370 0.201,1371 0.094,1372 5.989,1373 2.64,1374 4.237,1375 0.128,1376 0.05,1377 4.32,1378 1.638,1379 3.431,1380 0.086,1381 0.028,1382 3.549,1383 1.121,1384 0.449,1385 54.627,1386 0.288,1387 17.446,1388 0.787,1389 82,1390 242.272,1391 97.884,1392 267.609,1393 348.51,1394 250,1395 92,1396 222.321,1397 104.273,1398 234.872,1399 336.62,1400 220,1401 5.016}
{0 CHEMBL1304363,1 1.991,2 9.3,3 3.249,4 10.557,5 81.814,6 11.494,7 0.727,8 3.483,9 3.55,10 3.516,11 3.256,12 4.728,13 3.184,14 3.91,15 3.989,16 3.998,17 3.611,18 5.209,19 3.512,20 4.01,21 4.151,22 3.753,23 3.473,24 5.282,25 3.385,26 3.882,27 4.011,28 3.69,29 3.349,30 5.254,31 3.277,32 3.8,33 3.932,34 3.778,35 3.349,36 5.177,37 3.22,38 3.661,39 3.799,40 3.45,41 3.244,42 4.814,43 3.082,44 3.49,45 3.616,46 3.394,47 3.045,48 4.822,49 2.923,50 3.372,51 3.508,52 3.157,53 2.888,54 4.681,55 2.799,56 0.077,57 0.39,58 0.914,59 1.928,60 4.544,61 1.837,62 0.182,63 0.651,64 6.936,65 3.724,66 9.752,67 3.167,68 0.266,69 0.726,70 12.299,71 5.199,72 23.189,73 4.278,74 0.265,75 0.64,76 7.91,77 4.057,78 24.263,79 3.032,80 0.285,81 0.588,82 10.631,83 4.49,84 27.899,85 3.511,86 0.185,87 0.518,88 10.36,89 4.138,90 18.125,91 3.279,92 0.183,93 0.405,94 10.858,95 3.334,96 13.626,97 2.657,98 0.125,99 0.326,100 3.79,101 2.363,102 11.402,103 2.447,104 5,105 30,106 0.377,107 0.658,108 0.831,109 0.91,110 0.91,111 0.91,112 3.057,113 1.054,114 -3.84,115 -3.8,116 -3.61,120 46.4,143 5,146 1,147 2,152 1,153 1,154 1,159 1,163 1,174 3,177 3,180 2,182 1,185 5,188 1,189 4,194 2,197 1,200 1,201 4,206 1,209 1,214 4,217 1,219 2,222 3,227 1,232 1,235 2,239 1,240 2,245 1,247 1,252 3,260 2,264 2,271 3,274 480,275 13.585,276 13.585,277 13.585,278 13.585,279 13.585,280 11.565,281 9.121,282 8.138,283 14.302,284 10.882,285 10.882,286 10.882,287 10.882,288 10.882,289 7.88,290 11.333,291 3.912,292 12.146,293 2.816,294 1.331,295 0.415,299 3.735,304 1,306 1,307 1,308 402,309 2.55,312 115.685,313 67.807,320 1.5,321 18.969,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42.833,333 186,334 4.317,335 3.582,336 6.192,337 3.883,338 2.955,339 3.966,340 1.058,341 9.263,342 2.756,343 4.216,344 2.944,345 6.079,346 3.77,347 2.837,348 3.832,350 8.81,351 2.654,352 3.77,353 2.896,354 5.329,355 3.252,356 2.387,357 3.27,359 6.897,360 2.046,361 3.498,362 2.39,363 4.945,364 2.964,365 2.089,366 2.8,368 5.701,369 1.781,370 3.1,371 1.829,372 4.35,373 2.627,374 1.685,375 2.33,377 4.214,378 1.548,379 2.645,380 1.727,381 3.846,382 2.117,383 1.198,384 1.674,386 2.957,387 1.063,388 2.5,389 1.144,390 3.468,391 1.96,392 1,393 1.5,395 2.462,396 0.955,397 2.486,398 1,399 3.268,400 1.922,401 0.98,402 1.429,404 2.136,405 0.875,406 2.174,407 0.754,408 3.26,409 1.543,410 0.683,411 1.013,413 1.67,414 0.563,415 2.158,416 0.684,417 3.247,418 1.472,419 0.652,420 0.973,422 1.608,423 0.526,424 1.011,425 0.341,426 2.609,427 0.601,428 -0.367,429 -0.466,431 -0.974,432 -0.327,433 0.725,434 -0.028,435 2.23,436 0.246,437 -0.706,438 -0.903,440 -1.625,441 -0.441,442 0.5,443 -0.646,444 1.73,445 -0.025,446 -0.767,447 -0.988,449 -1.788,450 -0.665,451 0.484,452 -0.86,453 1.6,454 -0.083,455 -1,456 -1.5,458 -2.347,459 -0.972,460 0.169,461 -1,462 1.555,463 -0.286,464 -1.251,465 -1.701,467 -3.383,468 -1.149,469 10.414,470 0.521,471 0.452,472 0.023,473 29,474 1.45,475 16,476 0.8,477 13,478 0.65,479 13.435,480 0.672,481 19.586,482 0.699,483 16.732,484 0.837,485 5.481,486 0.274,487 4.24,488 0.212,489 0.101,491 0.288,496 0.703,497 0.994,498 0.618,499 0.673,500 0.578,501 0.651,502 0.587,503 1.162,504 0.713,505 0.953,506 0.61,507 0.887,508 1.125,509 1.158,510 1.028,511 1.112,512 1.109,513 1.039,514 1.268,515 1.152,516 0.911,517 1.001,518 1.384,519 0.963,520 0.818,521 0.88,522 0.765,523 0.904,524 1.005,525 0.89,526 1.179,527 1.005,528 1.349,529 1.161,530 0.99,531 1.031,532 0.759,533 0.952,534 0.989,535 1.108,536 0.736,537 1.049,538 1.138,539 0.921,540 0.714,541 0.776,542 1.326,543 0.906,544 4,545 0.048,546 2,547 1.132,548 0.851,549 0.365,550 0.283,551 0.2,552 0.11,553 0.069,554 4134,555 15650,556 2.107,557 28.6,559 5,560 1,561 1,562 1,567 1.613,568 2,569 3.223,570 -0.173,572 1,574 1,575 55.745,576 1.991,577 3.477,578 4.393,579 4.807,580 4.807,581 4.807,582 2.709,583 3.784,584 4.295,585 3.339,586 634.332,587 7.312,588 6580.48,589 1,590 1,591 1,592 1,593 134.606,594 1.295,595 4.266,596 0.182,597 0.006,598 0.067,599 0.045,600 0.037,601 0.017,602 0.017,603 0.013,604 0.008,605 0.006,606 0.399,607 0.5,608 1,609 0.548,610 89.622,611 -0.101,612 -0.042,613 0.001,614 0.065,615 -0.089,616 0.043,617 0.15,618 -0.154,619 0.095,620 -0.069,621 0.023,622 -0.114,623 -0.113,624 -0.143,625 -0.11,626 -0.16,627 -0.081,628 -0.084,629 -0.122,630 -0.096,631 -0.073,632 -0.079,633 -0.097,634 -0.084,635 0.239,636 0.146,637 0.213,638 0.136,639 0.158,640 0.086,641 -0.29,642 0.056,643 -0.227,644 -0.001,645 -0.168,647 0.194,648 0.049,649 0.015,650 -0.097,651 0.186,652 -0.084,653 -0.066,654 -0.095,655 0.134,656 0.076,657 -0.032,658 0.092,659 1.871,660 4.965,661 0.8,662 15,663 1.027,664 1.098,665 2.611,666 6.815,667 0.818,668 3.135,669 3.434,670 3.664,671 3.892,672 3.951,673 3.932,674 3.989,675 4.043,676 4.06,677 4.078,678 5.505,679 0.77,680 321.83,681 3.135,682 4.654,683 5.485,684 6.344,685 7.191,686 8.052,687 8.904,688 9.766,689 10.622,690 11.483,691 10.7,698 1,701 2,709 7,710 2,713 2,714 5,716 16,723 1,737 1,738 28,739 17,741 22,743 30,744 13,745 12,748 1,752 3,753 3,754 1,768 13,772 1,778 1,782 1,786 1,789 8,790 4,791 1,792 7,793 3,797 3,803 1,804 1,816 1,822 2,823 1,855 3,857 2,860 1,862 20,871 1,879 1,880 1,885 1,886 3.6,889 1,893 10,894 5.126,895 4.389,896 1.502,898 2.736,899 1.421,900 1.019,901 4.079,902 9.242,903 3.466,904 4.06,905 4.62,906 5.178,907 5.457,908 5.641,909 5.946,910 6.263,911 6.558,912 6.799,913 1,914 25,915 7.335,917 3.111,918 7.864,919 13.733,921 11.034,924 2.364,925 47.278,929 82.398,930 140.384,931 51.582,932 39.149,933 25.145,935 62.555,936 77.828,937 146.691,938 51.582,940 18.011,941 55.03,942 75.192,943 16.735,944 52.278,945 121.411,947 82.398,948 129.41,949 25.145,950 101.704,952 82.398,953 25.145,956 34.746,957 61.093,958 33.571,959 101.704,960 82.398,961 76.727,962 179.532,965 82.398,966 76.306,967 64.078,968 18.011,969 97.865,970 82.398,971 76.727,972 179.532,973 0.577,974 0.33,975 0.177,976 0.087,977 15,978 6,979 0.1,980 3,982 1,983 3.369,984 145.319,986 16,987 86.439,989 2,993 13.649,994 5.977,995 3.241,997 76.727,998 12.574,999 8.568,1002 2.599,1003 3.215,1005 18.011,1006 338.657,1007 31,1013 11.965,1017 -0.205,1020 28.76,1021 30.734,1022 0.414,1023 0.723,1024 0.914,1025 1,1026 1,1027 1,1028 4.663,1029 0.98,1030 5.451,1031 2.462,1032 4.111,1033 4.745,1034 1.176,1035 6.209,1036 3.918,1037 5.866,1038 0.683,1039 6.974,1040 2.136,1041 3.611,1042 4.388,1044 6.969,1045 3.316,1046 7.155,1047 0.652,1048 8.594,1049 1.67,1050 5.652,1051 6.903,1052 1.255,1053 10.038,1054 5.305,1055 8.481,1056 -0.367,1057 10.271,1058 1.608,1059 5.994,1060 7.411,1062 11.634,1063 5.559,1064 9.837,1065 -0.706,1066 11.984,1067 -0.974,1068 7.469,1069 9.313,1070 1.338,1071 14.173,1072 6.987,1073 11.214,1074 -0.767,1075 13.722,1076 -1.625,1077 8.188,1078 10.228,1080 16.106,1081 7.63,1082 12.607,1083 -1,1084 15.478,1085 -1.788,1086 9.43,1087 11.856,1088 1.422,1089 18.452,1090 8.824,1091 2.955,1092 -1.251,1093 17.246,1094 -2.347,1095 10.329,1096 12.98,1098 20.533,1099 9.652,1100 2.837,1101 9.263,1102 19.024,1103 -3.383,1104 11.471,1105 14.477,1106 1.51,1107 22.8,1108 10.741,1109 2.387,1110 8.81,1111 20.809,1112 3.966,1113 12.456,1114 15.71,1116 24.949,1117 11.658,1118 2.089,1119 6.897,1120 22.599,1121 3.832,1122 13.554,1123 17.142,1124 1.599,1125 27.184,1126 12.699,1127 1.685,1128 5.701,1129 24.394,1130 3.27,1131 14.581,1132 18.434,1134 29.364,1135 13.658,1136 1.198,1137 4.214,1138 26.192,1139 2.8,1140 15.661,1141 19.833,1142 1.69,1143 31.585,1144 14.678,1145 1,1146 2.957,1147 27.993,1148 2.33,1149 16.709,1150 21.158,1152 33.781,1153 15.658,1154 3982,1155 7905,1156 14.909,1157 22.909,1158 33.549,1159 33.821,1160 33.42,1161 33.018,1162 32.932,1163 45.575,1164 2.117,1165 91.435,1166 29.536,1167 5.158,1168 5.582,1169 5.994,1170 5.02,1171 4.955,1172 6.966,1173 2.117,1174 15.65,1175 4.702,1176 7.695,1177 1.525,1178 1.537,1179 1.519,1180 1.501,1181 1.497,1182 2.072,1183 0.096,1184 4.156,1185 1.343,1186 3.966,1187 3.992,1188 4.339,1189 3.948,1190 7.429,1191 3.887,1192 3.863,1193 3.866,1194 4.216,1195 3.87,1196 4.976,1197 3.815,1198 3.657,1199 3.685,1200 3.748,1201 3.617,1202 4.889,1203 3.566,1204 3.214,1205 3.238,1206 3.405,1207 2.987,1208 4.691,1209 3.024,1210 2.811,1211 2.877,1212 3.009,1213 2.732,1214 4.166,1215 2.695,1216 2.702,1217 2.755,1218 2.832,1219 2.533,1220 3.838,1221 2.53,1222 2.477,1223 2.53,1224 2.682,1225 2.427,1226 3.754,1227 2.335,1228 2.384,1229 2.42,1230 2.624,1231 2.253,1232 3.485,1233 2.202,1234 0.196,1235 0.163,1236 0.281,1237 0.176,1238 0.134,1239 4.317,1240 0.18,1241 3.582,1242 0.048,1243 6.192,1244 0.421,1245 3.883,1246 0.125,1247 2.955,1248 3.966,1249 1.058,1250 9.263,1251 2.756,1252 1.841,1253 1.806,1254 1.947,1255 1.964,1256 0.974,1257 1.961,1258 1.574,1259 1.563,1260 1.655,1261 1.737,1262 0.739,1263 1.716,1264 1.395,1265 1.396,1266 1.414,1267 1.497,1268 0.584,1269 1.515,1270 1.313,1271 1.303,1272 1.341,1273 1.398,1274 0.536,1275 1.427,1276 1.183,1277 1.176,1278 1.086,1279 1.173,1280 0.325,1281 1.259,1282 0.796,1283 0.729,1284 0.965,1285 1.003,1286 0.109,1287 1.037,1288 0.621,1289 0.602,1290 0.792,1291 0.811,1293 0.853,1294 0.455,1295 0.396,1296 0.556,1297 0.722,1299 0.715,1300 3.807,1302 5.106,1303 3.045,1304 6.575,1305 5.283,1306 8.116,1307 7.261,1308 9.697,1311 5.809,1317 2.754,1326 21.561,1327 55.745,1328 97.345,1329 122.996,1330 134.606,1331 134.606,1332 134.606,1333 27.232,1334 6.506,1335 54.88,1336 111.36,1337 16,1338 12.033,1339 4.17,1340 3.322,1341 30.133,1342 66,1343 58,1344 0.225,1345 144.845,1346 236.58,1347 345.183,1348 5192,1349 3.6,1350 13.949,1351 0.697,1352 0.621,1353 15.156,1354 12.428,1355 9.72,1356 0.442,1357 0.351,1358 5.775,1359 8.332,1360 5.479,1361 4.525,1362 10.871,1363 7.732,1364 8.729,1365 0.291,1366 0.213,1367 10.545,1368 6.384,1369 7.144,1370 0.188,1371 0.117,1372 8.862,1373 4.437,1374 5.848,1375 0.122,1376 0.067,1377 7.574,1378 3.196,1379 4.148,1380 0.081,1381 0.037,1382 5.644,1383 1.899,1384 0.355,1385 71.969,1386 0.259,1387 20.175,1388 0.612,1389 104,1390 347.283,1391 183.155,1392 410.309,1393 546.39,1394 382,1395 120,1396 344.177,1397 177.302,1398 388.811,1399 569.13,1400 365,1401 5.686}
{0 CHEMBL1304384,1 1.654,2 8.583,3 5.031,4 25.307,5 94.197,6 8.536,7 0.654,8 3.784,9 3.87,10 3.514,11 3.444,12 4.974,13 3.398,14 4.275,15 4.409,16 3.9,17 3.807,18 5.503,19 3.74,20 4.461,21 4.612,22 4.027,23 3.942,24 5.659,25 3.845,26 4.46,27 4.609,28 4.01,29 3.881,30 5.698,31 3.784,32 4.363,33 4.5,34 3.927,35 3.856,36 5.54,37 3.782,38 4.481,39 4.624,40 3.854,41 3.903,42 5.679,43 3.824,44 4.562,45 4.734,46 3.723,47 3.826,48 5.769,49 3.752,50 4.502,51 4.71,52 3.409,53 3.626,54 5.663,55 3.526,56 0.032,57 0.564,58 6.595,59 3.908,60 6.276,61 4.38,62 0.232,63 0.922,64 14,65 6.706,66 25.785,67 7.462,68 0.246,69 1.173,70 20.7,71 8.856,72 33.583,73 9.107,74 0.414,75 1.137,76 24.74,77 8.967,78 49.456,79 8.899,80 0.181,81 0.985,82 17.208,83 7.679,84 28.012,85 8.32,86 0.202,87 1.1,88 21.523,89 8.61,90 25.023,91 9.093,92 0.297,93 1.152,94 21.244,95 8.616,96 40.57,97 9.521,98 0.39,99 1.097,100 19.667,101 8.003,102 56.889,103 9.129,104 20,105 36,106 0.291,107 0.63,108 0.781,109 0.85,110 0.85,111 0.85,112 3.229,113 0.969,114 -5.89,115 -5.75,116 -5.35,120 47.5,121 2,126 1,143 7,144 3,145 3,146 1,147 1,159 1,174 7,176 1,177 6,185 13,189 2,197 10,200 2,201 7,209 9,214 3,222 10,227 11,235 8,240 10,247 9,260 8,271 4,274 904,275 16.162,276 16.162,277 16.162,278 16.162,279 16.162,280 13.983,281 11.889,282 9.602,283 16.638,284 12.791,285 12.791,286 12.791,287 12.791,288 12.791,289 9.486,290 8.089,291 4.499,292 13.505,293 3.668,294 1.741,295 0.879,296 0.488,297 0.488,298 0.488,299 3.91,306 1,307 1,308 433,309 3.082,313 185.501,317 102.415,320 1.118,321 26.938,324 0.75,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.81,332 52,333 206,334 4.625,335 4.592,336 6.802,337 4.171,338 3.207,339 4.547,340 2.95,341 11.231,342 3.09,343 4.05,344 3.669,345 6.027,346 3.635,347 2.653,348 3.633,349 1.674,350 8.523,351 2.604,352 3.985,353 3.234,354 5.459,355 3.538,356 2.592,357 3.515,359 7.253,360 2.427,361 3.532,362 2.859,363 5.084,364 3.136,365 2.174,366 2.905,368 5.96,369 2.108,370 3.467,371 2.683,372 4.96,373 3.019,374 2.097,375 2.774,377 5.813,378 1.881,379 3.25,380 2.268,381 4.834,382 2.768,383 1.825,384 2.542,386 5.318,387 1.704,388 2.895,389 1.839,390 4.297,391 2.437,392 1.497,393 1.995,395 3.829,396 1.393,397 2.5,398 1.697,399 3.671,400 2,401 1,402 1.5,404 2.408,405 1,406 2.392,407 1.401,408 3.414,409 1.899,410 0.949,411 1.346,413 2.275,414 0.891,415 2.095,416 1.004,417 3.16,418 1.863,419 0.902,420 1.018,422 1.555,423 0.85,424 1.621,425 1,426 2.858,427 1.199,428 0.307,429 0.382,431 0.723,432 0.266,433 1.207,434 0.697,435 2.525,436 0.797,437 -0.131,438 -0.165,440 -0.304,441 -0.117,442 1.121,443 0.266,444 2.473,445 0.661,446 -0.288,447 -0.367,449 -0.632,450 -0.272,451 0.689,452 -0.005,453 2.314,454 0.39,455 -0.602,456 -0.721,458 -0.996,459 -0.576,460 0.662,461 -0.065,462 2,463 0.253,464 -0.69,465 -0.928,467 -1.966,468 -0.644,469 11.686,470 0.487,471 0.592,472 0.025,473 32.5,474 1.354,475 18,476 0.75,477 14.5,478 0.604,479 18.359,480 0.765,481 24.914,482 0.623,483 23.558,484 0.982,485 6.469,486 0.27,487 5.111,488 0.213,489 0.139,491 0.342,494 1,496 0.596,497 0.914,498 0.681,499 0.888,500 0.545,501 0.86,502 0.708,503 0.857,504 0.753,505 0.804,506 0.543,507 0.79,508 1.046,509 0.996,510 1.14,511 1.019,512 0.905,513 0.902,514 1.011,515 0.916,516 1.354,517 1.228,518 1.148,519 0.967,520 0.737,521 0.877,522 0.877,523 1.024,524 0.829,525 0.939,526 0.867,527 0.978,528 1.365,529 1.32,530 0.699,531 1.154,532 1.115,533 1.001,534 1.11,535 1.134,536 0.971,537 1.178,538 1.376,539 1.067,540 0.95,541 0.921,542 1.337,543 1.164,544 5,545 0.041,546 2.889,547 1.438,548 1.68,549 0.924,550 0.629,551 0.446,552 0.291,553 0.142,554 5522,555 17471,556 2.04,557 40,558 3,559 9,561 1,564 3,567 1.678,568 1.895,569 3.057,570 -0.782,575 66.167,576 1.654,577 3.581,578 4.443,579 4.834,580 4.834,581 4.834,582 2.422,583 3.939,584 4.553,585 3.194,586 881.605,587 7.909,588 10217.9,590 1,593 212.877,594 1.459,595 4.507,596 0.192,597 0.01,598 0.08,599 0.038,600 0.048,601 0.026,602 0.017,603 0.014,604 0.014,605 0.012,606 0.452,607 0.33,608 0.88,609 1.195,610 111.763,611 -0.011,612 -0.032,613 0.056,614 0.018,615 -0.051,616 0.018,617 0.083,618 0.043,619 0.152,620 0.164,621 0.087,622 0.136,623 -0.112,624 0.026,625 0.02,626 0.094,627 -0.053,628 0.059,629 0.005,630 0.065,631 -0.035,632 -0.037,633 -0.085,634 0.002,635 -0.011,636 -0.072,637 0.074,638 -0.03,639 -0.047,640 0.005,641 -0.107,642 -0.14,643 -0.323,644 -0.292,645 -0.029,646 -0.224,647 -0.148,648 -0.174,649 -0.264,650 -0.253,651 -0.074,652 -0.256,653 -0.206,654 -0.177,655 -0.194,656 -0.109,657 -0.178,658 -0.217,659 2.071,660 5.303,661 0.667,662 18.5,663 1.01,664 1.112,665 4.662,666 21.733,667 0.715,668 3.296,669 3.611,670 3.871,671 4.143,672 4.443,673 4.511,674 4.615,675 4.727,676 4.812,677 4.625,678 5.256,679 0.681,680 341.43,681 3.296,682 4.828,683 5.673,684 6.553,685 7.425,686 8.313,687 9.197,688 10.09,689 10.981,690 11.876,691 2.5,701 1,708 2,709 8,710 1,714 5,716 17,726 1,737 1,738 40,739 18,740 2,741 26,743 42,744 19,745 15,746 5,747 7,748 1,752 3,753 4,759 2,768 16,769 3,772 1,778 1,782 1,787 1,789 16,790 4,792 5,793 1,797 1,803 0.667,804 2,816 1,823 3,827 1,855 2,856 1,857 1,859 2,861 1,862 24,869 1,872 1,873 1,885 1,886 5,889 1,891 1,893 12.667,894 8.01,895 5.361,896 2.486,898 3.5,899 1.496,900 0.985,901 4.937,902 10.561,903 3.597,904 4.234,905 4.846,906 5.463,907 6.104,908 6.423,909 6.836,910 7.255,911 7.683,912 7.712,913 0.833,914 38,915 8.88,917 3.756,918 7.924,919 16.666,921 13.371,924 2.424,925 58.167,928 1,929 188.338,930 160.346,931 16.786,933 36.145,934 14.96,935 32.22,936 128.126,937 224.482,938 31.746,939 17.65,940 4.592,941 66.334,942 60.893,943 43.358,944 14.96,945 208.786,947 188.338,948 144.912,949 51.105,950 32.22,952 167.984,953 71.458,956 33.434,957 94.692,958 16.786,959 32.22,960 203.298,961 52.93,962 160.346,965 188.338,966 67.314,967 93.032,969 67.89,970 188.338,971 67.89,972 160.346,973 0.576,974 0.333,975 0.182,976 0.111,977 17,978 8,979 0.119,980 5,981 1,982 1.125,983 3.491,984 197.486,985 0.125,986 16,987 106.039,989 1,993 16.631,994 7.124,995 3.664,996 1.688,997 67.89,998 13.633,999 4.368,1003 2.82,1006 416.574,1007 35.5,1013 12.303,1017 -0.405,1020 40.414,1021 44.498,1022 0.311,1023 0.673,1024 0.835,1025 0.908,1026 0.908,1027 0.908,1028 4.814,1029 1,1030 5.659,1031 3.829,1032 4.29,1033 4.92,1034 3.179,1035 6.469,1036 4.193,1037 6.039,1038 0.949,1039 7.217,1040 2.408,1041 3.892,1042 4.796,1044 7.38,1045 3.756,1046 7.356,1047 0.902,1048 8.876,1049 2.275,1050 5.878,1051 7.19,1052 5.125,1053 10.492,1054 5.702,1055 8.71,1056 0.307,1057 10.593,1058 1.555,1059 6.275,1060 7.872,1062 12.255,1063 6.063,1064 10.094,1065 -0.131,1066 12.35,1067 0.723,1068 7.748,1069 9.756,1070 7.218,1071 14.909,1072 7.507,1073 11.501,1074 -0.288,1075 14.137,1076 -0.304,1077 8.528,1078 10.839,1080 17.045,1081 8.249,1082 12.927,1083 -0.602,1084 15.945,1085 -0.632,1086 9.795,1087 12.507,1088 9.358,1089 19.543,1090 9.49,1091 3.207,1092 -0.69,1093 17.772,1094 -0.996,1095 10.767,1096 13.8,1098 21.84,1099 10.422,1100 2.653,1101 11.231,1102 19.613,1103 -1.966,1104 11.952,1105 15.373,1106 11.515,1107 24.283,1108 11.58,1109 2.592,1110 8.523,1111 21.466,1112 4.547,1113 13.018,1114 16.775,1116 26.649,1117 12.607,1118 2.174,1119 7.253,1120 23.329,1121 3.633,1122 14.176,1123 18.307,1124 13.676,1125 29.074,1126 13.734,1127 2.097,1128 5.96,1129 25.201,1130 3.515,1131 15.288,1132 19.764,1134 31.469,1135 14.807,1136 1.825,1137 5.813,1138 27.08,1139 2.905,1140 16.44,1141 21.282,1142 15.839,1143 33.888,1144 15.926,1145 1.497,1146 5.318,1147 28.965,1148 2.774,1149 17.575,1150 22.766,1152 36.296,1153 17.023,1154 5501,1155 9912,1156 17.107,1157 28.591,1158 38.786,1159 42.617,1160 40.211,1161 38.431,1162 38.409,1163 52.315,1164 9.249,1165 109.775,1166 36.431,1167 5.448,1168 6.592,1169 6.572,1170 5.3,1171 5.207,1172 7.547,1173 5.9,1174 18.601,1175 5.09,1176 12.379,1177 1.492,1178 1.639,1179 1.547,1180 1.478,1181 1.477,1182 2.012,1183 0.356,1184 4.222,1185 1.401,1186 4.088,1187 4.106,1188 4.166,1189 4.048,1190 8.201,1191 4.036,1192 3.872,1193 3.897,1194 3.879,1195 3.821,1196 7.433,1197 3.808,1198 3.635,1199 3.656,1200 3.59,1201 3.505,1202 4.962,1203 3.508,1204 3.453,1205 3.519,1206 3.401,1207 3.27,1208 4.616,1209 3.26,1210 3.161,1211 3.216,1212 3.236,1213 3.021,1214 4.471,1215 2.998,1216 3.017,1217 3.033,1218 3.012,1219 2.936,1220 4.356,1221 2.901,1222 2.861,1223 2.925,1224 2.775,1225 2.735,1226 3.887,1227 2.717,1228 2.854,1229 2.915,1230 2.687,1231 2.726,1232 3.685,1233 2.715,1234 0.178,1235 0.177,1236 0.262,1237 0.16,1238 0.123,1239 4.625,1240 0.175,1241 4.592,1242 0.113,1243 6.802,1244 0.432,1245 4.171,1246 0.119,1247 3.207,1248 4.547,1249 2.95,1250 11.231,1251 3.09,1252 2.047,1253 2.032,1254 2.103,1255 2.115,1256 1.266,1257 2.118,1258 1.857,1259 1.836,1260 1.947,1261 1.937,1262 1.044,1263 1.948,1264 1.579,1265 1.556,1266 1.81,1267 1.784,1268 0.941,1269 1.785,1270 1.448,1271 1.379,1272 1.683,1273 1.636,1274 0.799,1275 1.662,1276 1.144,1277 1.085,1278 1.413,1279 1.358,1280 0.493,1281 1.375,1282 0.957,1283 0.937,1284 1.181,1285 1.109,1286 0.218,1287 1.121,1288 0.886,1289 0.821,1290 1.136,1291 1.076,1292 0.217,1293 1.107,1294 0.798,1295 0.765,1296 1.038,1297 1.062,1298 0.114,1299 1.071,1300 3.97,1302 5.283,1304 6.801,1306 8.419,1308 10.092,1310 3.756,1312 13.146,1315 0.297,1318 5.152,1319 1.408,1326 27.236,1327 66.167,1328 143.226,1329 177.716,1330 193.367,1331 193.367,1332 193.367,1333 44.142,1334 7.061,1335 39.19,1336 64.49,1337 18,1338 12.403,1339 4.248,1340 3.392,1341 38.836,1342 70,1343 88,1344 0.261,1345 171.614,1346 296.88,1347 410.498,1348 9932,1349 2.5,1350 17.104,1351 0.713,1352 0.591,1353 16.587,1354 14.192,1355 11.58,1356 0.445,1357 0.323,1358 7.564,1359 10.724,1360 7.252,1361 6.039,1362 11.594,1363 8.398,1364 10.375,1365 0.288,1366 0.177,1367 10.395,1368 6.382,1369 8.497,1370 0.181,1371 0.099,1372 8.896,1373 4.655,1374 6.984,1375 0.113,1376 0.055,1377 7.791,1378 3.394,1379 6.029,1380 0.072,1381 0.031,1382 6.71,1383 2.62,1384 0.392,1385 76.367,1386 0.242,1387 22.91,1388 0.771,1389 124,1390 436.088,1391 161.042,1392 415.343,1393 557.29,1394 388,1395 145,1396 383.632,1397 178.276,1398 399.581,1399 586.3,1400 376,1401 4.949}
{0 CHEMBL1304754,1 1.551,2 10.25,3 1.039,4 1.08,5 72.933,6 7.214,7 0.286,8 3.768,9 3.867,10 3.276,11 3.173,12 4.899,13 3.184,14 4.318,15 4.483,16 3.572,17 3.52,18 5.439,19 3.507,20 4.558,21 4.765,22 3.591,23 3.634,24 5.711,25 3.578,26 4.567,27 4.8,28 3.346,29 3.53,30 5.612,31 3.431,32 4.428,33 4.684,34 3.237,35 3.356,36 5.534,37 3.249,38 4.268,39 4.504,40 3.123,41 3.19,42 5.431,43 3.105,44 4.082,45 4.299,46 3.004,47 3.086,48 5.118,49 3.02,50 3.956,51 4.153,52 2.974,53 3.045,54 5.107,55 2.997,56 0.119,57 0.512,58 8.74,59 3.665,60 14.816,61 4.659,62 0.436,63 0.786,64 16.915,65 5.451,66 33.342,67 7.454,68 0.598,69 0.907,70 22.496,71 6.917,72 59.89,73 9.775,74 0.604,75 0.83,76 23.539,77 6.954,78 68.376,79 9.929,80 0.605,81 0.702,82 20.823,83 6.061,84 78.176,85 8.976,86 0.648,87 0.59,88 17.916,89 4.903,90 72.703,91 7.132,92 0.465,93 0.518,94 14.5,95 4.118,96 40.989,97 5.84,98 0.313,99 0.493,100 12.278,101 3.647,102 44.068,103 5.095,104 10,105 27,106 0.284,107 0.6,108 0.744,109 0.827,110 0.837,111 0.846,112 3.055,113 0.951,114 -1.93,115 -1.99,116 -1.99,120 35.9,122 1,126 6,143 3,144 1,145 2,159 1,174 3,176 1,177 4,182 2,185 2,188 1,189 4,193 1,194 4,197 1,200 1,201 3,206 2,209 1,214 1,217 2,222 2,226 1,227 1,230 2,235 1,239 1,240 2,245 1,252 1,257 1,263 1,264 1,267 1,274 500,275 13.397,276 13.397,277 13.397,278 13.397,279 13.397,280 12.476,281 16.135,282 8.199,283 13.855,284 10.345,285 10.345,286 10.345,287 10.345,288 10.345,289 8.951,290 17.205,291 3.909,292 11.046,293 3.734,294 2.008,295 1.225,296 0.769,297 0.718,298 0.667,299 3.716,306 1,307 1,308 426,309 3,313 150.163,320 1.55,321 29.67,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 45.5,333 205,334 4.292,335 3.662,336 6.131,337 3.894,338 2.916,339 3.939,340 1.674,341 8.92,342 2.846,343 3.837,344 2.996,345 5.748,346 3.467,347 2.53,348 3.191,349 0.86,350 7.525,351 2.379,352 3.521,353 2.885,354 5.34,355 3.43,356 2.493,357 2.521,358 0.8,359 6.965,360 2.304,361 2.901,362 2.186,363 4.241,364 2.618,365 1.692,366 1.979,368 3.978,369 1.556,370 2.818,371 1.972,372 4.027,373 2.373,374 1.468,375 1.931,377 3.514,378 1.348,379 2.592,380 1.845,381 3.688,382 2.36,383 1.414,384 1.58,386 3.218,387 1.304,388 2.286,389 1.706,390 3.381,391 2.083,392 1.121,393 1.246,395 2.488,396 1.057,397 2,398 1.256,399 3.247,400 1.952,401 1,402 1,404 2.136,405 0.946,406 1.459,407 0.947,408 2.796,409 1.271,410 0.349,411 0.374,413 0.763,414 0.317,415 1.352,416 0.521,417 2.382,418 0.978,419 0.054,420 0.065,422 0.117,423 0.049,424 0.749,425 0.129,426 2.332,427 0.454,428 -0.486,429 -0.512,431 -1.079,432 -0.452,433 0.622,434 -0.308,435 1.943,436 0.31,437 -0.659,438 -0.852,440 -1.693,441 -0.625,442 0.175,443 -0.36,444 1.555,445 -0.023,446 -1,447 -1,449 -2.156,450 -0.846,451 0.016,452 -0.477,453 1.495,454 -0.149,455 -1,456 -1.079,458 -2.347,459 -0.964,461 -0.933,462 1.281,463 -0.245,464 -1.21,465 -1.546,467 -3.084,468 -1.162,469 9.067,470 0.453,471 0.421,472 0.021,473 21.5,474 1.075,475 8.5,476 0.425,477 13,478 0.65,479 15.14,480 0.757,481 23.933,482 0.614,483 15.249,484 0.762,485 4.525,486 0.226,487 5.139,488 0.257,489 0.11,491 0.265,496 0.915,497 1.508,498 0.841,499 1.322,500 0.814,501 1.099,502 1.018,503 1.149,504 0.991,505 1.061,506 0.6,507 1.006,508 0.924,509 1.044,510 0.997,511 1.067,512 0.683,513 1.044,514 1.046,515 0.987,516 1.068,517 1.051,518 1.158,519 1.067,520 0.723,521 0.934,522 0.811,523 0.955,524 0.757,525 0.919,526 0.931,527 0.833,528 0.937,529 0.848,530 0.786,531 0.895,532 1.121,533 0.933,534 1.027,535 0.881,536 1.011,537 0.927,538 1.219,539 1.081,540 1.117,541 1.009,542 1.719,543 1.026,544 3.5,545 0.082,546 2.222,547 0.875,548 0.804,549 0.354,550 0.202,551 0.212,552 0.111,553 0.076,554 4193,555 12845,556 1.995,557 48.7,559 15,562 2,565 2,567 1.609,568 1.875,569 3.347,570 0.41,571 1,572 1,574 1,575 60.507,576 1.551,577 3.277,578 4.06,579 4.516,580 4.567,581 4.619,582 2.746,583 4.022,584 4.297,585 3.484,586 661.874,587 7.293,588 7220.11,589 1,590 1,593 206.131,594 1.353,595 4.255,596 0.167,597 0.007,598 0.082,599 0.034,600 0.042,601 0.021,602 0.013,603 0.015,604 0.008,605 0.006,606 0.396,607 0.5,608 1,609 0.627,610 91.555,611 -0.106,612 -0.208,613 0.02,614 -0.089,615 -0.087,616 -0.015,617 -0.082,618 0.014,619 -0.056,620 -0.009,621 0.046,622 -0.014,623 -0.016,625 -0.045,626 -0.07,627 0.113,628 -0.061,629 -0.102,630 -0.055,631 -0.094,632 -0.092,633 -0.103,634 -0.092,635 0.151,636 -0.055,637 0.165,638 -0.012,639 0.16,640 0.067,641 0.121,642 0.053,643 0.071,644 0.072,645 0.147,646 0.055,647 -0.067,648 0.004,649 -0.033,650 0.075,651 -0.112,652 0.034,653 -0.222,654 -0.045,655 -0.151,656 -0.017,657 -0.29,658 -0.056,659 2.165,660 4.711,661 0.6,662 15.9,663 1.018,664 1.135,665 0.703,666 0.494,667 0.619,668 3.091,669 3.332,670 3.497,671 3.584,672 3.738,673 3.555,674 3.434,675 3.296,676 3.296,677 3.332,678 6.104,679 0.598,680 281.34,681 3.091,682 4.575,683 5.371,684 6.188,685 7,686 7.82,687 8.638,688 9.46,689 10.28,690 11.103,691 2.6,694 1,709 3,714 3,716 6,726 1,734 2,738 39,739 7,740 1,741 21,743 40,744 14,745 6,746 3,747 3,748 1,752 2,753 2,766 1,768 7,769 7,772 1,778 1,782 1,785 1,786 1,789 19,790 6,791 2,792 6,797 1,803 1,804 5,823 2,851 1,854 1,855 2,862 20,868 2,869 7,872 2,875 1,886 12.8,888 2,889 1,890 1,891 1,893 10.667,894 6.6,895 4.556,896 2.303,898 1.111,899 1.183,900 0.872,901 5.642,902 7.201,903 3.258,904 3.701,905 4.115,906 4.47,907 4.914,908 4.881,909 4.76,910 4.243,911 4.278,912 4.371,913 0.857,914 26,915 7.424,917 3.092,918 8.058,919 13.906,921 10.938,924 2.558,925 51.167,929 200.109,930 61.434,931 3.124,933 132.511,936 61.434,937 332.62,938 3.124,940 22.629,941 28.429,942 128.703,943 17.31,945 200.109,947 200.109,948 64.559,949 132.511,952 176.567,953 145.054,954 11,956 25.753,957 38.806,960 200.109,961 135.636,962 61.434,965 200.109,966 33.006,967 31.553,969 132.511,970 200.109,971 135.636,972 61.434,973 0.567,974 0.321,975 0.152,976 0.082,977 11,978 5,979 0.15,980 6,982 1,983 3.368,984 132.203,986 12,987 82.439,993 15.097,994 7.475,995 4.646,997 135.636,998 3.874,1003 -0.353,1005 85.367,1006 397.179,1007 25,1013 11.711,1017 -0.498,1020 39.691,1021 44.282,1022 0.294,1023 0.62,1024 0.768,1025 0.854,1026 0.864,1027 0.874,1028 4.46,1029 1,1030 5.313,1031 2.488,1032 4.007,1033 4.382,1034 2.202,1035 6.009,1036 3.891,1037 5.592,1038 0.349,1039 6.81,1040 2.136,1041 3.434,1042 4.086,1043 0.325,1044 6.698,1045 3.286,1046 6.849,1047 0.054,1048 8.409,1049 0.763,1050 5.493,1051 6.387,1052 2.906,1053 9.726,1054 5.287,1055 8.141,1056 -0.486,1057 10.068,1058 0.117,1059 5.74,1060 6.941,1061 0.268,1062 11.235,1063 5.516,1064 9.47,1065 -0.659,1066 11.764,1067 -1.079,1068 7.248,1069 8.743,1070 3.832,1071 13.75,1072 6.975,1073 10.823,1074 -1,1075 13.486,1076 -1.693,1077 7.886,1078 9.684,1079 0.188,1080 15.597,1081 7.602,1082 12.195,1083 -1,1084 15.225,1085 -2.156,1086 9.147,1087 11.276,1088 4.831,1089 17.915,1090 8.823,1091 2.916,1092 -1.21,1093 16.976,1094 -2.347,1095 9.983,1096 12.407,1097 0.125,1098 19.921,1099 9.648,1100 2.53,1101 8.92,1102 18.736,1103 -3.084,1104 11.127,1105 13.899,1106 5.852,1107 22.157,1108 10.761,1109 2.493,1110 7.525,1111 20.503,1112 3.939,1113 12.065,1114 15.131,1115 0.082,1116 24.244,1117 11.687,1118 1.692,1119 6.965,1120 22.275,1121 3.191,1122 13.156,1123 16.569,1124 6.88,1125 26.445,1126 12.753,1127 1.468,1128 3.978,1129 24.052,1130 2.521,1131 14.148,1132 17.859,1133 0.054,1134 28.575,1135 13.733,1136 1.414,1137 3.514,1138 25.831,1139 1.979,1140 15.216,1141 19.267,1142 7.91,1143 30.762,1144 14.78,1145 1.121,1146 3.218,1147 27.614,1148 1.931,1149 16.237,1150 20.59,1151 0.035,1152 32.916,1153 15.787,1154 4185,1155 7439,1156 13.811,1157 24.131,1158 30.303,1159 31.61,1160 30.912,1161 30.089,1162 30.075,1163 35.654,1164 6.669,1165 79.246,1166 28.211,1167 5.292,1168 5.662,1169 5.933,1170 4.997,1171 4.916,1172 6.939,1173 3.349,1174 15.189,1175 4.846,1176 9.497,1177 1.443,1178 1.505,1179 1.472,1180 1.433,1181 1.432,1182 1.698,1183 0.318,1184 3.774,1185 1.343,1186 3.936,1187 3.949,1188 3.891,1189 3.843,1190 7.433,1191 3.851,1192 3.817,1193 3.875,1194 3.695,1195 3.61,1196 6.53,1197 3.62,1198 3.545,1199 3.589,1200 3.423,1201 3.334,1202 6.402,1203 3.34,1204 3.256,1205 3.254,1206 3.174,1207 3.008,1208 4.632,1209 3.052,1210 3.111,1211 3.206,1212 2.866,1213 2.941,1214 4.531,1215 2.91,1216 2.94,1217 2.995,1218 2.806,1219 2.746,1220 4.349,1221 2.748,1222 2.915,1223 2.965,1224 2.759,1225 2.636,1226 3.95,1227 2.651,1228 2.668,1229 2.709,1230 2.536,1231 2.305,1232 3.525,1233 2.354,1234 0.204,1235 0.174,1236 0.292,1237 0.185,1238 0.139,1239 4.292,1240 0.188,1241 3.662,1242 0.08,1243 6.131,1244 0.425,1245 3.894,1246 0.136,1247 2.916,1248 3.939,1249 1.674,1250 8.92,1251 2.846,1252 1.881,1253 1.87,1254 1.984,1255 2.007,1256 1.29,1257 2,1258 1.754,1259 1.691,1260 1.956,1261 1.977,1262 1.078,1263 1.97,1264 1.504,1265 1.45,1266 1.778,1267 1.741,1268 1.038,1269 1.751,1270 1.153,1271 1.106,1272 1.513,1273 1.411,1274 0.825,1275 1.429,1276 1.105,1277 1.064,1278 1.302,1279 1.376,1280 0.492,1281 1.358,1282 0.883,1283 0.839,1284 1.152,1285 1.177,1286 0.188,1287 1.166,1288 0.857,1289 0.781,1290 1.102,1291 1.132,1292 0.168,1293 1.129,1294 0.546,1295 0.475,1296 0.989,1297 0.941,1298 0.052,1299 0.943,1300 3.761,1302 5.017,1304 6.466,1306 7.998,1308 9.57,1314 18.48,1315 5.309,1318 10.376,1321 2.268,1326 23.337,1327 60.507,1328 127.808,1329 158.356,1330 176.131,1331 178.131,1332 180.131,1333 44.128,1334 6.089,1335 79.23,1336 79.23,1337 12,1338 11.682,1339 3,1340 2.322,1341 36.821,1342 74,1343 62,1344 0.241,1345 145.342,1346 259.53,1347 346.395,1348 3195,1350 14.372,1351 0.719,1352 0.562,1353 14.372,1354 11.248,1355 9.665,1356 0.46,1357 0.317,1358 6.509,1359 9.079,1360 6.428,1361 5.258,1362 9.665,1363 6.658,1364 8.293,1365 0.307,1366 0.172,1367 8.293,1368 4.647,1369 6.69,1370 0.209,1371 0.099,1372 6.69,1373 3.167,1374 4.717,1375 0.135,1376 0.057,1377 4.717,1378 2.012,1379 3.711,1380 0.091,1381 0.032,1382 3.711,1383 1.298,1384 0.391,1385 62.241,1386 0.269,1387 20.614,1388 0.624,1389 96,1390 357.151,1391 111.035,1392 324.566,1393 418.57,1394 302,1395 107,1396 279.901,1397 121.679,1398 276.914,1399 402.19,1400 259,1401 4.46}
{0 CHEMBL1304847,1 1.627,2 11.087,3 1.6,4 2.559,5 85.392,6 8.141,7 0.48,8 3.759,9 3.857,10 3.4,11 3.286,12 4.974,13 3.298,14 4.23,15 4.364,16 3.704,17 3.604,18 5.453,19 3.606,20 4.34,21 4.507,22 3.643,23 3.646,24 5.557,25 3.613,26 4.348,27 4.548,28 3.465,29 3.533,30 5.486,31 3.478,32 4.292,33 4.535,34 3.364,35 3.409,36 5.427,37 3.345,38 4.111,39 4.306,40 3.258,41 3.344,42 5.267,43 3.289,44 4.102,45 4.307,46 3.221,47 3.355,48 5.15,49 3.272,50 4.149,51 4.381,52 3.195,53 3.291,54 5.202,55 3.205,56 0.084,57 0.547,58 6.448,59 3.307,60 7.168,61 3.781,62 0.355,63 0.813,64 12.536,65 5.077,66 23.845,67 5.921,68 0.282,69 0.913,70 14.402,71 5.737,72 30.322,73 7.037,74 0.314,75 0.883,76 16.041,77 5.742,78 31.904,79 7.209,80 0.371,81 0.815,82 17.05,83 5.615,84 41.144,85 7.625,86 0.295,87 0.703,88 12.66,89 4.563,90 35.413,91 5.6,92 0.223,93 0.692,94 12.356,95 4.918,96 21.268,97 6.469,98 0.305,99 0.687,100 14.361,101 5.212,102 24.755,103 7.074,104 5,105 33,106 0.29,107 0.645,108 0.792,109 0.856,110 0.866,111 0.866,112 3.187,113 0.846,114 -3.09,115 -3.09,116 -2.97,120 44.7,121 1,127 1,136 2,143 5,144 2,145 2,146 2,157 1,159 1,170 1,174 7,176 1,177 7,180 1,182 1,185 7,188 1,189 9,194 4,197 5,201 6,206 1,209 2,213 1,214 6,217 1,219 1,222 4,226 1,227 3,232 2,235 6,239 1,240 2,245 1,247 3,251 1,252 5,255 1,260 4,264 2,267 1,271 5,274 736,275 15.706,276 15.706,277 15.706,278 15.706,279 15.706,280 13.697,281 13.364,282 9.523,283 15.984,284 12.348,285 12.348,286 12.348,287 12.348,288 12.348,289 9.312,290 14.903,291 4.552,292 12.735,293 3.621,294 1.625,295 0.799,296 0.441,297 0.388,298 0.388,299 3.871,305 1,306 1,307 1,308 554,309 3.464,312 61.042,313 152.561,316 105.678,320 1.743,321 20.698,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50.5,333 255,334 4.297,335 3.553,336 6.193,337 3.896,338 2.941,339 3.941,340 1.392,341 9.256,342 2.809,343 4.15,344 3.306,345 6.019,346 3.796,347 2.79,348 3.676,349 0.98,350 8.544,351 2.797,352 3.842,353 2.838,354 5.291,355 3.397,356 2.421,357 3.192,358 0.782,359 6.775,360 2.354,361 3.553,362 2.383,363 4.987,364 3.156,365 2.181,366 2.851,367 0.532,368 5.953,369 2.118,370 3.257,371 2.181,372 4.366,373 2.767,374 1.791,375 2.51,377 4.216,378 1.739,379 2.886,380 1.991,381 4.272,382 2.477,383 1.534,384 2.024,386 4.15,387 1.439,388 2.621,389 1.72,390 3.507,391 2.15,392 1.184,393 1.606,395 2.69,396 1.142,397 2.5,398 1.324,399 3.452,400 2.095,401 1.112,402 1.5,404 2.482,405 1.089,406 2.468,407 1.089,408 3.247,409 1.984,410 1,411 1.281,413 2.136,414 0.983,415 2.172,416 1,417 3.206,418 1.724,419 0.729,420 1.053,422 1.687,423 0.721,424 1.668,425 0.834,426 3,427 1.395,428 0.426,429 0.51,431 1.012,432 0.406,433 1.489,434 0.581,435 2.691,436 1.189,437 0.191,438 0.233,440 0.421,441 0.19,442 0.758,443 -0.057,444 2.304,445 0.396,446 -0.591,447 -0.707,449 -1.524,450 -0.58,451 0.74,452 -0.348,453 2.074,454 0.263,455 -0.744,456 -1.022,458 -1.604,459 -0.737,460 0.5,461 -0.585,462 1.708,463 0.086,464 -0.902,465 -1.177,467 -2.347,468 -0.885,469 10.7,470 0.465,471 0.452,472 0.02,473 32.25,474 1.402,475 17.5,476 0.761,477 14.75,478 0.641,479 14.157,480 0.616,481 24.1,482 0.634,483 22.007,484 0.957,485 6.846,486 0.298,487 4.375,488 0.19,489 0.078,491 0.28,496 0.771,497 1.146,498 0.694,499 1.066,500 0.635,501 0.9,502 1.017,503 1.043,504 0.872,505 0.924,506 0.739,507 0.876,508 0.97,509 1.181,510 1.057,511 1.146,512 0.963,513 1.119,514 1.137,515 1.165,516 1.16,517 1.134,518 1.23,519 1.141,520 0.882,521 0.854,522 0.872,523 0.827,524 1.06,525 0.84,526 1.178,527 0.954,528 1.172,529 0.967,530 1.553,531 1.047,532 0.701,533 1.105,534 1.03,535 1.162,536 0.763,537 1.17,538 0.718,539 0.992,540 0.9,541 1.028,542 0.649,543 1.02,544 4,545 0.075,546 2.444,547 0.944,548 0.839,549 0.49,550 0.278,551 0.221,552 0.173,553 0.086,554 6708,555 20539,556 2.093,557 39.5,559 7,560 2,561 2,562 1,563 3,567 1.649,568 2,569 3.452,570 -0.284,571 1,572 1,574 1,575 61.821,576 1.627,577 3.623,578 4.449,579 4.807,580 4.86,581 4.86,582 2.893,583 4.35,584 4.5,585 3.63,586 918.336,587 7.702,588 11159.7,589 1,590 1,592 1,593 199.421,594 1.214,595 4.473,596 0.16,597 0.005,598 0.074,599 0.031,600 0.035,601 0.022,602 0.014,603 0.012,604 0.01,605 0.006,606 0.369,607 0.33,608 1,609 0.503,610 110.865,611 -0.007,612 -0.036,613 0.054,614 -0.072,615 -0.067,616 -0.012,617 0.037,619 0.002,620 0.048,621 0.01,622 0.024,623 -0.086,624 -0.145,625 -0.166,626 -0.183,627 -0.012,628 -0.188,629 -0.18,630 -0.175,631 -0.192,632 -0.179,633 -0.137,634 -0.183,635 0.024,636 0.096,637 0.178,638 0.136,639 0.101,640 0.18,641 -0.2,642 0.048,643 -0.213,644 -0.009,645 -0.251,646 -0.096,647 0.03,648 -0.139,649 -0.09,650 -0.166,651 -0.045,652 -0.16,653 0.138,654 -0.084,655 0.128,656 -0.03,657 0.118,658 0.024,659 1.941,660 4.851,661 0.652,662 19.391,663 1.015,664 1.121,665 1.862,666 3.468,667 0.683,668 3.258,669 3.526,670 3.738,671 3.912,672 4.043,673 3.97,674 4.007,675 4.025,676 3.871,677 3.85,678 6.718,679 0.668,680 309.35,681 3.258,682 4.762,683 5.58,684 6.418,685 7.251,686 8.092,687 8.929,688 9.772,689 10.613,690 11.457,691 7.9,698 1,700 1,701 1,709 7,710 1,714 4,716 12,735 2,738 38,739 15,740 1,741 25,743 40,744 17,745 11,746 3,747 3,748 4,752 3,753 4,755 1,759 1,768 15,769 2,772 3,778 1,780 2,781 1,782 2,785 1,786 1,789 15,790 6,791 1,792 6,797 3,803 0.667,804 3,816 1,822 1,823 2,826 1,845 2,855 2,859 1,862 23,869 1,871 1,872 2,886 7.9,889 1,891 2,893 11.5,894 7.15,895 5.139,896 2.074,898 3.218,899 1.48,900 0.972,901 4.692,902 9.93,903 3.555,904 4.094,905 4.615,906 5.085,907 5.572,908 5.655,909 5.937,910 6.147,911 6.322,912 6.503,913 1,914 30,915 8.425,917 3.472,918 7.848,919 15.769,921 12.242,924 2.348,925 54,929 164.795,930 124.223,931 51.337,933 47.145,936 124.223,937 211.94,938 51.337,939 8.825,940 24.538,941 66.334,942 72.934,943 73.616,944 23.542,945 117.711,947 164.795,948 175.56,949 47.145,952 164.795,953 47.145,956 68.122,957 71.701,958 35.738,960 164.795,961 98.481,962 124.223,965 164.795,966 30.97,967 93.254,968 17.888,969 80.593,970 164.795,971 98.481,972 124.223,973 0.57,974 0.325,975 0.165,976 0.086,977 15,978 6,979 0.1,980 4,981 1,982 1.133,983 3.736,984 168.691,985 0.133,986 15,987 100.042,993 15.254,994 7.074,995 3.961,997 98.481,998 12.051,999 3.865,1003 2.949,1005 17.888,1006 387.5,1007 34,1013 11.851,1015 3.698,1016 4.042,1017 0.397,1020 38.589,1021 42.614,1022 0.31,1023 0.69,1024 0.848,1025 0.916,1026 0.926,1027 0.926,1028 4.754,1029 1.112,1030 5.525,1031 2.69,1032 4.205,1033 4.779,1034 2.15,1035 6.248,1036 4.149,1037 5.936,1038 1,1039 7.029,1040 2.482,1041 3.611,1042 4.369,1044 6.969,1045 3.54,1046 7.214,1047 0.729,1048 8.631,1049 2.136,1050 5.714,1051 6.886,1052 2.42,1053 10.014,1054 5.608,1055 8.527,1056 0.426,1057 10.292,1058 1.687,1059 5.969,1060 7.299,1062 11.589,1063 5.845,1064 9.87,1065 0.191,1066 11.993,1067 1.012,1068 7.489,1069 9.249,1070 2.879,1071 14.106,1072 7.337,1073 11.233,1074 -0.591,1075 13.719,1076 0.421,1077 8.145,1078 10.059,1080 16.031,1081 7.969,1082 12.612,1083 -0.744,1084 15.465,1085 -1.524,1086 9.412,1087 11.745,1088 3.437,1089 18.357,1090 9.21,1091 2.941,1092 -0.902,1093 17.225,1094 -1.604,1095 10.268,1096 12.775,1098 20.436,1099 10.039,1100 2.79,1101 9.256,1102 18.995,1103 -2.347,1104 11.419,1105 14.319,1106 4.047,1107 22.688,1108 11.164,1109 2.421,1110 8.544,1111 20.773,1112 3.941,1113 12.376,1114 15.479,1116 24.835,1117 12.091,1118 2.181,1119 6.775,1120 22.558,1121 3.676,1122 13.474,1123 16.943,1124 4.683,1125 27.059,1126 13.163,1127 1.791,1128 5.953,1129 24.347,1130 3.192,1131 14.483,1132 18.18,1134 29.238,1135 14.14,1136 1.534,1137 4.216,1138 26.14,1139 2.851,1140 15.559,1141 19.599,1142 5.331,1143 31.452,1144 15.187,1145 1.184,1146 4.15,1147 27.937,1148 2.51,1149 16.593,1150 20.884,1152 33.646,1153 16.19,1154 6373,1155 11273,1156 16.989,1157 25.949,1158 37.166,1159 38.09,1160 37.102,1161 36.628,1162 36.602,1163 48.756,1164 7.37,1165 98.641,1166 35.573,1167 5.109,1168 5.553,1169 5.995,1170 4.932,1171 4.941,1172 6.941,1173 2.783,1174 15.528,1175 4.809,1176 8.327,1177 1.487,1178 1.524,1179 1.484,1180 1.465,1181 1.464,1182 1.95,1183 0.295,1184 3.946,1185 1.423,1186 3.979,1187 3.995,1188 3.934,1189 3.889,1190 7.429,1191 3.895,1192 3.889,1193 3.921,1194 3.841,1195 3.776,1196 5.014,1197 3.786,1198 3.655,1199 3.706,1200 3.582,1201 3.499,1202 4.886,1203 3.51,1204 3.35,1205 3.387,1206 3.276,1207 3.096,1208 4.732,1209 3.13,1210 3.22,1211 3.267,1212 3.124,1213 2.946,1214 4.384,1215 2.991,1216 3.001,1217 3.077,1218 2.831,1219 2.827,1220 4.013,1221 2.819,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.903,1227 2.715,1228 2.788,1229 2.853,1230 2.623,1231 2.631,1232 3.725,1233 2.618,1234 0.172,1235 0.142,1236 0.248,1237 0.156,1238 0.118,1239 4.297,1240 0.158,1241 3.553,1242 0.056,1243 6.193,1244 0.37,1245 3.896,1246 0.112,1247 2.941,1248 3.941,1249 1.392,1250 9.256,1251 2.809,1252 1.9,1253 1.881,1254 1.995,1255 1.997,1256 1.105,1257 1.992,1258 1.841,1259 1.81,1260 1.942,1261 1.965,1262 0.967,1263 1.963,1264 1.588,1265 1.539,1266 1.77,1267 1.772,1268 0.83,1269 1.769,1270 1.176,1271 1.138,1272 1.445,1273 1.521,1274 0.579,1275 1.487,1276 1.129,1277 1.086,1278 1.395,1279 1.438,1280 0.461,1281 1.394,1282 1.064,1283 1.001,1284 1.254,1285 1.298,1286 0.218,1287 1.335,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.154,1293 1.107,1294 0.794,1295 0.736,1296 1.08,1297 0.988,1298 0.106,1299 1.019,1300 3.932,1302 5.209,1303 2.398,1304 6.671,1305 4.595,1306 8.213,1307 6.581,1308 9.798,1310 1.802,1315 0.254,1317 2.502,1318 10.589,1326 25.369,1327 61.821,1328 137.673,1329 169.057,1330 182.666,1331 184.666,1332 184.666,1333 31.415,1334 6.712,1335 72.81,1336 72.81,1337 17,1338 12.02,1339 4,1340 3.322,1341 37.215,1342 94,1343 77,1344 0.188,1345 157.685,1346 279.39,1347 376.512,1348 7540,1350 16.071,1351 0.699,1352 0.544,1353 16.071,1354 12.522,1355 11.22,1356 0.449,1357 0.282,1358 6.917,1359 10.688,1360 6.743,1361 5.633,1362 11.22,1363 7.046,1364 9.765,1365 0.296,1366 0.148,1367 9.765,1368 4.876,1369 8.035,1370 0.196,1371 0.078,1372 8.035,1373 3.19,1374 6.213,1375 0.127,1376 0.04,1377 6.213,1378 1.978,1379 4.807,1380 0.086,1381 0.022,1382 4.807,1383 1.233,1384 0.307,1385 71.124,1386 0.243,1387 23.302,1388 0.485,1389 116,1390 400.83,1391 130.35,1392 379.399,1393 513.11,1394 356,1395 132,1396 372.109,1397 146.38,1398 375.083,1399 539.83,1400 350,1401 4.45}
{0 CHEMBL1305054,1 1.765,2 12.235,3 2.98,4 8.877,5 135.226,6 8.311,7 0.395,8 4.215,9 4.328,10 3.943,11 3.782,12 5.282,13 3.738,14 4.778,15 4.945,16 4.341,17 4.187,18 5.817,19 4.116,20 4.983,21 5.182,22 4.426,23 4.291,24 6.006,25 4.194,26 5.01,27 5.232,28 4.324,29 4.292,30 6.023,31 4.156,32 4.957,33 5.17,34 4.331,35 4.235,36 6.026,37 4.097,38 4.951,39 5.162,40 4.275,41 4.199,42 6.008,43 4.082,44 4.873,45 5.044,46 4.265,47 4.194,48 6.059,49 4.091,50 4.955,51 5.145,52 4.308,53 4.243,54 6.04,55 4.139,56 0.093,57 0.969,58 11.886,59 5.718,60 7.709,61 6.756,62 0.459,63 1.598,64 28.08,65 9.907,66 27.943,67 11.828,68 0.633,69 1.851,70 37.933,71 12.076,72 45.414,73 14.516,74 0.568,75 1.84,76 42.056,77 14.207,78 51.729,79 16.953,80 0.641,81 1.734,82 43.09,83 13.942,84 65.26,85 15.852,86 0.62,87 1.718,88 42.157,89 12.992,90 56.511,91 14.863,92 0.673,93 1.625,94 35.215,95 11.987,96 79.602,97 13.419,98 0.545,99 1.772,100 40.788,101 13.102,102 55.65,103 14.731,104 10,105 53,106 0.284,107 0.634,108 0.793,109 0.857,110 0.862,111 0.862,112 3.561,113 1.031,114 -3.42,115 -3.4,116 -3.25,120 38.3,121 1,122 1,126 7,143 5,144 1,145 1,147 1,153 2,154 1,159 2,160 1,170 1,174 4,176 2,177 7,180 1,181 1,182 2,185 7,188 1,189 5,192 1,194 2,197 4,200 2,201 8,204 1,206 1,209 3,213 3,214 6,217 2,219 1,222 4,226 2,227 7,235 3,239 2,240 5,243 3,245 2,247 4,251 2,252 3,257 2,260 2,263 3,264 8,267 2,269 4,271 2,274 2484,275 23.292,276 23.292,277 23.292,278 23.292,279 23.292,280 21.083,281 29.601,282 13.892,283 24.153,284 18.803,285 18.803,286 18.803,287 18.803,288 18.803,289 15.298,290 39.814,291 6.666,292 20.198,293 4.142,294 1.965,295 0.973,296 0.579,297 0.546,298 0.546,299 4.269,307 1,308 916,309 3.742,312 153.313,313 272.12,316 249.222,320 1.792,321 35.635,324 1,325 0.67,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.83,332 74,333 416,334 4.714,335 4.58,336 6.949,337 4.266,338 3.327,339 4.625,340 3.87,341 11.745,342 3.122,343 4.158,344 3.774,345 6.399,346 3.777,347 2.846,348 3.72,349 1.982,350 9.755,351 2.661,352 4.109,353 3.533,354 5.692,355 3.694,356 2.737,357 3.563,358 1.182,359 7.79,360 2.615,361 3.672,362 3.086,363 5.617,364 3.434,365 2.518,366 2.93,367 0.86,368 7.32,369 2.304,370 3.551,371 2.886,372 5.34,373 3.297,374 2.331,375 2.777,376 0.8,377 6.964,378 2.249,379 3.52,380 2.826,381 5.265,382 3.103,383 2.164,384 2.663,385 0.716,386 6.257,387 1.99,388 3.375,389 2.708,390 5.011,391 2.936,392 1.996,393 2.517,394 0.223,395 5.997,396 1.855,397 3.04,398 2.193,399 4.59,400 2.647,401 1.702,402 2.236,403 0.122,404 4.642,405 1.602,406 3.007,407 2.143,408 4.464,409 2.508,410 1.592,411 2.167,413 4.295,414 1.451,415 2.777,416 2.038,417 3.847,418 2.44,419 1.509,420 1.86,422 3.297,423 1.39,424 2.578,425 1.882,426 3.642,427 2.28,428 1.347,429 1.572,431 2.986,432 1.241,433 2.297,434 1.652,435 3.58,436 2.066,437 1.109,438 1.245,440 2.6,441 1.045,442 2.208,443 1.315,444 3.446,445 1.952,446 1,447 1.073,449 2.136,450 0.946,451 2.118,452 1.256,453 3.274,454 1.725,455 0.804,456 1,458 1.968,459 0.728,460 2,461 1.115,462 3.247,463 1.644,464 0.716,465 0.959,467 1.72,468 0.653,469 16.567,470 0.487,471 0.763,472 0.022,473 40.5,474 1.191,475 17.5,476 0.515,477 23,478 0.676,479 35.028,480 1.03,481 36.833,482 0.614,483 29.921,484 0.88,485 7.532,486 0.222,487 9.049,488 0.266,489 0.07,491 0.32,496 0.758,497 1.293,498 0.715,499 0.952,500 0.539,501 0.919,502 0.945,503 1.091,504 0.918,505 0.94,506 0.602,507 0.882,508 1.111,509 1.01,510 0.948,511 0.946,512 1.022,513 0.922,514 0.827,515 0.964,516 1.048,517 1.036,518 0.9,519 0.966,520 0.959,521 0.95,522 1.035,523 1.01,524 1.132,525 0.956,526 1.244,527 1.014,528 1.207,529 1.085,530 1.412,531 0.931,532 1.193,533 1.064,534 1.242,535 1.145,536 1.475,537 1.068,538 1.213,539 1.143,540 1.272,541 1.228,542 1.49,543 1.059,544 6,545 0.262,546 3.333,547 2.708,548 1.684,549 1.105,550 0.812,551 0.509,552 0.382,553 0.377,554 17627,555 48278,556 2.145,557 43.3,559 19,562 2,563 3,565 2,567 1.766,568 2.04,569 3.564,570 0.264,575 105.895,576 1.765,577 3.941,578 4.934,579 5.328,580 5.361,581 5.361,582 3.044,583 4.852,584 5.053,585 3.757,586 2107.86,587 8.898,588 32834.4,593 354.413,594 1.286,595 5.033,596 0.158,597 0.006,598 0.063,599 0.052,600 0.035,601 0.024,602 0.018,603 0.011,604 0.008,605 0.008,606 0.382,607 0.33,608 0.75,609 0.459,610 182.107,611 -0.021,612 -0.123,613 0.074,614 0.008,615 -0.007,616 0.011,617 0.012,618 0.022,619 0.053,620 0.065,621 0.035,622 0.06,623 -0.084,624 0.044,625 0.069,626 0.059,627 -0.069,628 0.034,629 0.038,630 0.047,631 0.041,632 0.029,633 0.071,634 0.044,635 0.064,636 0.053,637 0.093,638 0.078,639 0.055,640 0.047,641 -0.109,642 0.004,643 -0.03,644 0.02,645 -0.068,646 0.059,648 -0.014,649 -0.143,650 -0.062,651 0.034,652 -0.103,653 -0.129,654 -0.091,655 -0.13,656 -0.126,657 -0.148,658 -0.08,659 1.849,660 6.512,661 0.706,662 40.824,663 1.01,664 1.127,665 2.188,666 4.786,667 0.688,668 3.664,669 3.989,670 4.277,671 4.575,672 4.787,673 4.905,674 5.1,675 5.257,676 5.333,677 5.451,678 7.501,679 0.649,680 498.69,681 3.664,682 5.209,683 6.066,684 6.95,685 7.827,686 8.721,687 9.61,688 10.511,689 11.41,690 12.317,691 10,694 1,698 2,699 1,700 1,701 1,708 2,709 5,710 1,711 1,713 1,714 4,716 15,724 1,738 60,739 18,740 1,741 38,743 64,744 23,745 11,746 2,747 4,748 2,752 5,753 8,759 1,766 1,768 14,769 9,772 3,778 2,781 1,782 3,789 26,790 8,791 2,792 11,793 2,797 6,803 0.6,804 3,814 1,822 2,823 3,826 2,838 1,851 1,854 1,855 3,856 1,857 2,859 1,862 34,869 8,871 1,872 1,873 1,875 2,880 1,886 5,889 2,890 1,893 16.667,894 11.05,895 7.417,896 3.637,898 3.208,899 1.389,900 1.006,901 7.418,902 11.461,903 3.902,904 4.472,905 5.043,906 5.657,907 6.125,908 6.507,909 6.942,910 7.344,911 7.513,912 7.775,913 1,914 52,915 12.661,917 5.466,918 7.711,919 24.347,921 20.297,924 2.211,925 75.167,929 282.506,930 163.366,931 74.371,933 61.29,935 63.497,936 99.869,937 343.796,938 74.371,939 8.825,940 42.177,941 47.381,942 87.362,943 46.987,944 2.797,945 346.004,947 282.506,948 174.24,949 61.29,950 63.497,952 258.964,953 73.832,954 11,956 92.66,957 64.918,958 16.663,959 63.497,960 282.506,961 135.661,962 163.366,965 282.506,966 107.16,967 62.455,968 34.674,969 94.738,970 282.506,971 135.661,972 163.366,973 0.579,974 0.337,975 0.188,976 0.1,977 26,978 11,979 0.125,980 8,981 2,982 1.167,983 4.568,984 322.908,985 0.167,986 24,987 168.974,989 2,993 23.642,994 10.668,995 5.446,996 2.01,997 118.998,998 9.694,999 4.028,1000 2.781,1002 1.479,1003 2.725,1005 34.674,1006 581.534,1007 48.5,1013 26.039,1016 4.875,1017 0.345,1020 60.582,1021 67.61,1022 0.299,1023 0.667,1024 0.835,1025 0.902,1026 0.908,1027 0.908,1028 5.152,1029 1.702,1030 6.043,1031 5.997,1032 4.673,1033 5.159,1034 3.759,1035 6.855,1036 4.538,1037 6.34,1038 1.592,1039 7.596,1040 4.642,1041 4.205,1042 4.966,1043 2.49,1044 7.748,1045 4.028,1046 7.642,1047 1.509,1048 9.252,1049 4.295,1050 6.26,1051 7.33,1052 6.094,1053 10.892,1054 5.999,1055 8.982,1056 1.347,1057 10.971,1058 3.297,1059 6.648,1060 8.038,1061 5.194,1062 12.677,1063 6.339,1064 10.359,1065 1.109,1066 12.733,1067 2.986,1068 8.148,1069 9.866,1070 8.715,1071 15.345,1072 7.767,1073 11.763,1074 1,1075 14.526,1076 2.6,1077 8.945,1078 11.008,1079 8.082,1080 17.51,1081 8.509,1082 13.19,1083 0.804,1084 16.343,1085 2.136,1086 10.228,1087 12.633,1088 11.378,1089 20.028,1090 9.727,1091 3.327,1092 0.716,1093 18.178,1094 1.968,1095 11.226,1096 13.982,1097 10.977,1098 22.357,1099 10.663,1100 2.846,1101 11.745,1102 20.029,1103 1.72,1104 12.429,1105 15.534,1106 14.049,1107 24.827,1108 11.803,1109 2.737,1110 9.755,1111 21.892,1112 4.625,1113 13.524,1114 16.979,1115 13.841,1116 27.226,1117 12.834,1118 2.518,1119 7.79,1120 23.765,1121 3.72,1122 14.703,1123 18.508,1124 16.725,1125 29.683,1126 13.951,1127 2.331,1128 7.32,1129 25.648,1130 3.563,1131 15.844,1132 19.996,1133 16.677,1134 32.113,1135 15.027,1136 2.164,1137 6.964,1138 27.538,1139 2.93,1140 17.021,1141 21.519,1142 19.401,1143 34.568,1144 16.141,1145 1.996,1146 6.257,1147 29.434,1148 2.777,1149 18.186,1150 23.028,1151 19.491,1152 37.012,1153 17.241,1154 16359,1155 27293,1156 25.948,1157 41.307,1158 57.727,1159 61.367,1160 58.21,1161 56.899,1162 56.927,1163 71.731,1164 19.51,1165 162.738,1166 53.072,1167 5.714,1168 6.58,1169 6.751,1170 5.429,1171 5.327,1172 7.625,1173 7.591,1174 19.433,1175 5.122,1176 13.453,1177 1.519,1178 1.615,1179 1.532,1180 1.497,1181 1.498,1182 1.888,1183 0.513,1184 4.283,1185 1.397,1186 4.113,1187 4.122,1188 4.361,1189 4.124,1190 7.43,1191 4.076,1192 3.931,1193 3.996,1194 3.949,1195 3.736,1196 7.426,1197 3.76,1198 3.827,1199 3.89,1200 3.842,1201 3.635,1202 5.006,1203 3.641,1204 3.687,1205 3.73,1206 3.693,1207 3.542,1208 4.901,1209 3.533,1210 3.509,1211 3.545,1212 3.537,1213 3.374,1214 4.627,1215 3.34,1216 3.423,1217 3.47,1218 3.387,1219 3.303,1220 4.513,1221 3.279,1222 3.121,1223 3.206,1224 3.237,1225 3.014,1226 4.083,1227 2.976,1228 3.111,1229 3.196,1230 3.05,1231 2.941,1232 3.962,1233 2.91,1234 0.124,1235 0.121,1236 0.183,1237 0.112,1238 0.088,1239 4.714,1240 0.122,1241 4.58,1242 0.102,1243 6.949,1244 0.309,1245 4.266,1246 0.082,1247 3.327,1248 4.625,1249 3.87,1250 11.745,1251 3.122,1252 1.925,1253 1.907,1254 2.005,1255 2.013,1256 1.304,1257 2.012,1258 1.78,1259 1.731,1260 1.981,1261 1.978,1262 1.145,1263 1.987,1264 1.682,1265 1.649,1266 1.814,1267 1.864,1268 1.106,1269 1.861,1270 1.603,1271 1.561,1272 1.778,1273 1.818,1274 0.898,1275 1.791,1276 1.471,1277 1.415,1278 1.644,1279 1.716,1280 0.84,1281 1.716,1282 1.442,1283 1.396,1284 1.549,1285 1.616,1286 0.825,1287 1.633,1288 1.253,1289 1.191,1290 1.513,1291 1.493,1292 0.748,1293 1.489,1294 1.153,1295 1.064,1296 1.407,1297 1.376,1298 0.518,1299 1.429,1300 4.344,1302 5.666,1303 3.045,1304 7.175,1305 5.416,1306 8.777,1307 7.526,1308 10.433,1310 1.848,1315 5.741,1317 2.806,1318 5.425,1319 1.285,1321 4.086,1326 38.915,1327 105.895,1328 236.484,1329 296.049,1330 319.659,1331 321.659,1332 321.659,1333 61.789,1334 8.253,1335 105.14,1336 158.68,1337 28,1338 12.836,1339 4.248,1340 3.524,1341 49.715,1342 144,1343 170,1344 0.156,1345 243.097,1346 417.59,1347 584.917,1348 48765,1350 23.493,1351 0.691,1352 0.603,1353 24.2,1354 20.507,1355 16.581,1356 0.436,1357 0.344,1358 11.223,1359 14.976,1360 10.827,1361 8.879,1362 17.443,1363 13.054,1364 14.928,1365 0.282,1366 0.192,1367 16.095,1368 10.189,1369 12.618,1370 0.178,1371 0.11,1372 14.246,1373 7.844,1374 10.833,1375 0.113,1376 0.062,1377 12.527,1378 5.949,1379 8.589,1380 0.072,1381 0.036,1382 10.356,1383 4.283,1384 0.245,1385 113.136,1386 0.196,1387 31.521,1388 0.431,1389 182,1390 554.174,1391 250.814,1392 567.711,1393 773.69,1394 534,1395 215,1396 534.865,1397 282.396,1398 564.71,1399 835.49,1400 531,1401 4.421}
{0 CHEMBL1305075,1 1.689,2 7.783,3 4.081,4 16.655,5 96.703,6 11.273,7 0.654,8 3.667,9 3.76,10 3.645,11 3.408,12 4.851,13 3.354,14 4.107,15 4.219,16 4.05,17 3.79,18 5.258,19 3.712,20 4.333,21 4.489,22 4.115,23 3.851,24 5.449,25 3.776,26 4.286,27 4.456,28 4.062,29 3.777,30 5.416,31 3.712,32 4.314,33 4.478,34 4.207,35 3.845,36 5.46,37 3.77,38 4.342,39 4.53,40 4.193,41 3.872,42 5.394,43 3.737,44 4.171,45 4.346,46 3.957,47 3.725,48 5.169,49 3.531,50 3.934,51 4.139,52 3.935,53 3.456,54 4.865,55 3.208,56 0.048,57 0.482,58 1.478,59 2.36,60 5.097,61 2.626,62 0.082,63 0.768,64 4.294,65 4.204,66 8.616,67 4.343,68 0.157,69 0.999,70 19.986,71 6.484,72 15.226,73 6.423,74 0.179,75 0.986,76 14.039,77 5.618,78 17.6,79 5.341,80 0.222,81 0.991,82 8.931,83 5.229,84 19.192,85 4.932,86 0.21,87 0.976,88 13.393,89 6.726,90 20.363,91 7.051,92 0.143,93 0.749,94 26.406,95 7.16,96 14.958,97 7.45,98 0.115,99 0.607,100 27.102,101 6.564,102 12.621,103 6.701,104 2,105 36,106 0.303,107 0.613,108 0.799,109 0.913,110 0.913,111 0.913,112 3.19,113 0.998,114 -5.2,115 -5.09,116 -4.76,118 1,120 50,143 7,144 2,145 2,146 2,152 1,153 1,158 1,159 1,170 1,174 5,177 6,180 1,185 8,188 1,189 7,194 4,197 6,200 1,201 7,206 4,209 3,214 6,217 1,219 2,222 8,226 1,227 2,232 1,235 11,240 2,247 7,252 2,260 5,264 1,271 2,274 625,275 15.999,276 15.999,277 15.999,278 15.999,279 15.999,280 13.547,281 11.895,282 9.606,283 16.552,284 12.88,285 12.88,286 12.88,287 12.88,288 12.88,289 9.297,290 14.473,291 4.598,292 13.832,293 3.398,294 1.673,295 0.637,299 3.892,305 1,306 1,307 1,308 397,309 1.871,312 50.847,313 108.036,314 55.972,318 91.484,320 1.202,321 12.056,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.75,333 179,334 4.524,335 3.362,336 6.707,337 4.132,338 3.158,339 4.171,340 0.849,341 10.915,342 3.076,343 4.18,344 3.021,345 6.147,346 3.734,347 2.807,348 3.728,350 9.082,351 2.596,352 3.962,353 2.842,354 5.769,355 3.508,356 2.548,357 3.539,359 7.834,360 2.434,361 3.526,362 2.456,363 4.965,364 2.996,365 2.126,366 2.903,368 5.841,369 1.794,370 3.344,371 2.016,372 4.718,373 2.803,374 1.849,375 2.649,377 4.947,378 1.737,379 3.196,380 1.99,381 4.479,382 2.704,383 1.787,384 2.404,386 4.548,387 1.581,388 2.763,389 1.325,390 3.876,391 2.288,392 1.311,393 1.876,395 3.099,396 1.28,397 2.567,398 1.209,399 3.497,400 2.05,401 1.085,402 1.527,404 2.556,405 1.041,406 2.5,407 1,408 3.287,409 1.956,410 1,411 1.5,413 2.136,414 0.953,415 2.331,416 0.95,417 3.247,418 1.746,419 0.809,420 1.197,422 1.97,423 0.742,424 2.118,425 0.618,426 3,427 1.462,428 0.618,429 0.927,431 1.372,432 0.506,433 1.454,434 0.592,435 2.982,436 1.082,437 0.148,438 0.184,440 0.391,441 0.125,442 1.324,443 0.272,444 2.756,445 0.934,446 0.026,447 0.032,449 0.065,450 0.022,451 0.73,452 -0.186,453 2.37,454 0.235,455 -0.682,456 -0.833,458 -1.72,459 -0.421,460 0.678,461 -0.667,462 2.241,463 0.151,464 -0.734,465 -1.005,467 -1.85,468 -0.704,469 12.267,470 0.533,471 0.448,472 0.019,473 34,474 1.478,475 19.5,476 0.848,477 14.5,478 0.63,479 17.346,480 0.754,481 21.333,482 0.627,483 20.678,484 0.899,485 6.406,486 0.279,487 4.903,488 0.213,489 0.109,491 0.285,496 0.712,497 0.896,498 0.479,499 0.631,500 0.767,501 0.664,502 0.911,503 1.041,504 0.633,505 0.817,506 0.933,507 0.837,508 1.07,509 1.313,510 0.984,511 1.105,512 0.973,513 1.004,514 1.338,515 1.179,516 0.782,517 0.855,518 1.154,519 0.858,520 1.237,521 0.976,522 0.69,523 0.759,524 1.082,525 0.837,526 1.029,527 0.78,528 0.866,529 0.824,530 1.054,531 0.915,532 0.866,533 0.95,534 1.592,535 1.384,536 0.956,537 1.303,538 0.682,539 0.95,540 1.194,541 1.218,542 0.884,543 1.22,544 3.5,545 0.005,546 2.444,547 1.153,548 1.109,549 0.719,550 0.505,551 0.246,552 0.097,553 0.045,554 5334,555 16754,556 2.196,557 32.4,559 7,560 1,561 2,562 1,567 1.666,568 2.123,569 2.983,570 -0.284,572 1,575 57.433,576 1.689,577 3.415,578 4.451,579 5.087,580 5.087,581 5.087,582 2.455,583 4.089,584 4.494,585 3.101,586 784.435,587 7.785,588 8609.7,590 1,592 1,593 172.974,594 1.121,595 4.483,596 0.135,597 0.002,598 0.068,599 0.03,600 0.031,601 0.019,602 0.016,603 0.011,604 0.006,605 0.006,606 0.324,607 0.33,608 1,609 0.393,610 104.555,611 0.054,612 0.071,613 0.001,614 0.053,615 -0.065,616 0.038,617 -0.056,618 -0.049,619 -0.023,620 -0.034,621 -0.114,622 -0.073,623 -0.005,624 -0.298,625 -0.096,626 -0.217,627 0.038,628 -0.127,629 -0.143,630 -0.096,631 -0.041,632 -0.029,633 -0.05,634 -0.011,635 -0.078,636 0.101,637 0.028,638 0.048,639 -0.059,640 -0.009,641 -0.053,642 0.2,643 0.041,644 0.135,645 -0.055,646 0.071,647 -0.043,648 -0.085,649 -0.155,650 -0.208,651 -0.076,652 -0.206,653 0.107,654 -0.086,655 0.126,656 0.044,657 0.035,658 -0.012,659 0.914,660 1.759,661 0.957,662 16.862,663 1.007,664 1.1,665 3.97,666 15.762,667 0.796,668 3.296,669 3.611,670 3.912,671 4.205,672 4.443,673 4.585,674 4.736,675 4.898,676 4.956,677 4.977,678 4.91,679 0.747,680 383.29,681 3.296,682 4.828,683 5.687,684 6.567,685 7.445,686 8.332,687 9.218,688 10.109,689 10.999,690 11.892,691 11.8,693 1,700 2,701 1,709 10,710 1,713 1,714 5,716 17,737 1,738 34,739 19,740 1,741 26,742 1,743 37,744 17,745 15,746 3,747 3,748 2,752 4,753 5,755 1,768 17,772 2,781 2,782 2,786 1,789 11,790 4,791 1,792 6,793 2,797 4,799 1,803 0.75,816 1,822 1,823 2,824 1,828 1,855 3,857 1,858 1,862 23,871 1,880 1,885 1,893 10.833,894 6.243,895 5.028,896 1.918,898 3.448,899 1.477,900 1.056,901 3.96,902 10.672,903 3.624,904 4.238,905 4.855,906 5.456,907 5.96,908 6.311,909 6.747,910 7.207,911 7.596,912 7.964,913 1,914 38,915 8.423,917 3.571,918 7.576,919 16.199,921 13.309,924 2.076,925 47.75,929 117.711,930 141.981,931 114.076,935 31.278,936 156.658,937 117.711,938 68.122,941 91.871,942 45.412,943 63.726,944 13.13,945 113.675,946 45.954,947 117.711,948 178.826,950 31.278,951 45.954,952 117.711,956 69.432,957 92.609,958 16.786,959 77.232,960 117.711,961 68.122,962 187.935,965 117.711,966 49.904,967 92.078,968 63.842,969 50.234,970 117.711,971 68.122,972 187.935,973 0.575,974 0.339,975 0.193,976 0.107,977 19,978 7,979 0.054,980 2,981 1,982 1.091,983 3.507,984 196.161,985 0.091,986 22,987 104.042,989 1,993 14.583,994 6.246,995 2.933,997 68.122,998 19.526,999 4.199,1002 1.629,1003 4.829,1005 17.888,1006 373.769,1007 36.5,1016 9.354,1017 1.576,1020 34.247,1021 37.416,1022 0.332,1023 0.671,1024 0.875,1025 1,1026 1,1027 1,1028 4.838,1029 1.085,1030 5.652,1031 3.099,1032 4.29,1033 4.924,1034 0.892,1035 6.46,1036 4.163,1037 6.048,1038 1,1039 7.2,1040 2.556,1041 3.761,1042 4.527,1044 7.345,1045 3.546,1046 7.349,1047 0.809,1048 8.852,1049 2.136,1050 5.866,1051 7.107,1052 0.711,1053 10.48,1054 5.651,1055 8.689,1056 0.618,1057 10.568,1058 1.97,1059 6.217,1060 7.585,1062 12.241,1063 5.94,1064 10.061,1065 0.148,1066 12.328,1067 1.372,1068 7.732,1069 9.541,1070 0.558,1071 14.869,1072 7.452,1073 11.456,1074 0.026,1075 14.117,1076 0.391,1077 8.491,1078 10.447,1080 16.98,1081 8.17,1082 12.869,1083 -0.682,1084 15.926,1085 0.065,1086 9.77,1087 12.122,1088 0.43,1089 19.44,1090 9.437,1091 3.158,1092 -0.734,1093 17.751,1094 -1.72,1095 10.725,1096 13.256,1098 21.699,1099 10.361,1100 2.807,1101 10.915,1102 19.588,1103 -1.85,1104 11.907,1105 14.794,1106 0.327,1107 24.102,1108 11.527,1109 2.548,1110 9.082,1111 21.434,1112 4.171,1113 12.954,1114 16.052,1116 26.427,1117 12.55,1118 2.126,1119 7.834,1120 23.287,1121 3.728,1122 14.1,1123 17.523,1124 0.246,1125 28.812,1126 13.678,1127 1.849,1128 5.841,1129 25.146,1130 3.539,1131 15.192,1132 18.849,1134 31.167,1135 14.747,1136 1.787,1137 4.947,1138 27.011,1139 2.903,1140 16.327,1141 20.288,1142 0.183,1143 33.548,1144 15.863,1145 1.311,1146 4.548,1147 28.879,1148 2.649,1149 17.441,1150 21.652,1152 35.918,1153 16.956,1154 5010,1155 9009,1156 18.087,1157 27.068,1158 39.235,1159 39.225,1160 38.886,1161 38.69,1162 38.545,1163 53.276,1164 1.697,1165 109.511,1166 35.775,1167 5.315,1168 5.362,1169 6.509,1170 5.221,1171 5.158,1172 7.171,1173 1.697,1174 18.103,1175 5.076,1176 5.901,1177 1.509,1178 1.509,1179 1.496,1180 1.488,1181 1.482,1182 2.049,1183 0.065,1184 4.212,1185 1.376,1186 4.027,1187 4.057,1188 6.88,1189 3.977,1190 5.017,1191 3.959,1192 3.84,1193 3.863,1194 4.229,1195 3.864,1196 4.847,1197 3.794,1198 3.782,1199 3.805,1200 3.917,1201 3.715,1202 4.647,1203 3.709,1204 3.36,1205 3.429,1206 3.7,1207 3.19,1208 4.481,1209 3.194,1210 3.076,1211 3.126,1212 3.251,1213 2.951,1214 4.2,1215 2.957,1216 2.796,1217 2.864,1218 3.024,1219 2.723,1220 3.81,1221 2.68,1222 2.747,1223 2.815,1224 2.682,1225 2.618,1226 3.67,1227 2.598,1228 2.674,1229 2.744,1230 2.63,1231 2.501,1232 3.569,1233 2.51,1234 0.174,1235 0.129,1236 0.258,1237 0.159,1238 0.121,1239 4.524,1240 0.16,1241 3.362,1242 0.033,1243 6.707,1244 0.42,1245 4.132,1246 0.118,1247 3.158,1248 4.171,1249 0.849,1250 10.915,1251 3.076,1252 1.936,1253 1.915,1254 1.994,1255 2.014,1256 1.133,1257 2.015,1258 1.788,1259 1.755,1260 1.88,1261 1.9,1262 0.936,1263 1.902,1264 1.556,1265 1.527,1266 1.676,1267 1.706,1268 0.755,1269 1.692,1270 1.402,1271 1.384,1272 1.431,1273 1.521,1274 0.613,1275 1.546,1276 1.168,1277 1.127,1278 1.251,1279 1.286,1280 0.365,1281 1.313,1282 0.922,1283 0.896,1284 1.073,1285 1.02,1286 0.159,1287 1.073,1288 0.787,1289 0.723,1290 0.999,1291 0.983,1292 0.079,1293 1.018,1294 0.757,1295 0.683,1296 0.959,1297 0.98,1299 1.004,1300 3.97,1302 5.283,1303 2.398,1304 6.788,1305 4.595,1306 8.381,1307 6.605,1308 10.024,1309 3.532,1317 3.104,1326 25.405,1327 57.433,1328 116.103,1329 151.322,1330 172.974,1331 172.974,1332 172.974,1333 24.652,1334 7.224,1335 54.46,1336 82.7,1337 24,1338 12.419,1339 4.322,1340 3.524,1341 31.516,1342 69,1343 62,1344 0.234,1345 165.215,1346 275.91,1347 394.884,1348 12008,1349 2.9,1350 15.648,1351 0.68,1352 0.622,1353 17.002,1354 14.304,1355 11.31,1356 0.435,1357 0.333,1358 7.04,1359 9.988,1360 6.767,1361 5.594,1362 12.341,1363 8.65,1364 10.022,1365 0.278,1366 0.188,1367 11.422,1368 6.776,1369 8.658,1370 0.177,1371 0.098,1372 9.864,1373 4.779,1374 7.436,1375 0.113,1376 0.051,1377 8.52,1378 3.381,1379 6.058,1380 0.072,1381 0.025,1382 6.977,1383 2.138,1384 0.35,1385 82.587,1386 0.235,1387 21.96,1388 0.701,1389 124,1390 344.783,1391 219.092,1392 402.849,1393 552.69,1394 378,1395 147,1396 377.514,1397 202.298,1398 412.427,1399 602.18,1400 389,1401 4.029}
{0 CHEMBL1305307,1 1.821,2 8.76,3 5.159,4 26.61,5 98.588,6 9.535,7 0.667,8 3.774,9 3.858,10 3.597,11 3.438,12 4.998,13 3.398,14 4.233,15 4.351,16 3.98,17 3.772,18 5.481,19 3.711,20 4.413,21 4.571,22 4.179,23 3.87,24 5.637,25 3.775,26 4.311,27 4.447,28 4.056,29 3.713,30 5.687,31 3.661,32 4.234,33 4.373,34 3.939,35 3.68,36 5.529,37 3.651,38 4.278,39 4.405,40 4.007,41 3.769,42 5.566,43 3.717,44 4.329,45 4.443,46 3.988,47 3.735,48 5.734,49 3.696,50 4.285,51 4.41,52 3.708,53 3.675,54 5.55,55 3.614,56 0.075,57 0.533,58 4.724,59 3.303,60 7.045,61 3.617,62 0.273,63 0.841,64 10.955,65 5.65,66 23.436,67 6.068,68 0.382,69 1.008,70 23.162,71 7.882,72 34.1,73 8.211,74 0.458,75 0.937,76 19.674,77 6.487,78 43.254,79 6.023,80 0.318,81 0.883,82 13.879,83 5.091,84 36.764,85 4.51,86 0.286,87 0.947,88 15.598,89 5.779,90 24.732,91 4.84,92 0.459,93 0.895,94 18.66,95 6.477,96 42.653,97 5.358,98 0.311,99 0.766,100 12.118,101 5.941,102 35.809,103 5.801,104 13,105 36,106 0.321,107 0.612,108 0.711,109 0.822,110 0.865,111 0.865,112 3.268,113 0.975,114 -5.34,115 -5.22,116 -4.88,120 46.2,121 1,126 1,143 9,144 1,145 2,147 1,148 1,150 1,159 1,167 1,174 9,176 2,177 4,185 10,188 3,189 6,197 9,200 4,201 11,209 3,214 9,222 2,227 12,235 4,240 14,247 6,252 7,260 11,264 2,271 14,274 1021,275 17.129,276 17.129,277 17.129,278 17.129,279 17.129,280 14.821,281 8.525,282 10.438,283 17.73,284 13.303,285 13.303,286 13.303,287 13.303,288 13.303,289 9.897,290 6.204,291 4.876,292 14.273,293 3.465,294 1.812,295 1.254,296 0.625,297 0.378,298 0.378,299 3.951,303 1,306 1,307 1,308 461,309 3,313 249.798,320 1.248,321 24.947,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.833,333 219,334 4.434,335 4.597,336 6.503,337 4.013,338 3.079,339 4.1,340 2.95,341 10.184,342 2.884,343 4.156,344 3.678,345 6.105,346 3.724,347 2.787,348 3.768,349 1.674,350 8.909,351 2.659,352 4.062,353 3.268,354 6.014,355 3.644,356 2.702,357 3.587,359 8.518,360 2.436,361 3.457,362 2.805,363 5.065,364 2.989,365 2.061,366 2.792,368 5.802,369 1.903,370 3.182,371 2.471,372 4.431,373 2.713,374 1.773,375 2.399,377 4.429,378 1.642,379 2.888,380 1.911,381 4.179,382 2.415,383 1.477,384 2.052,386 3.712,387 1.38,388 2.841,389 1.818,390 3.934,391 2.34,392 1.414,393 1.967,395 3.191,396 1.24,397 2.714,398 1.635,399 3.597,400 2.207,401 1.271,402 1.807,404 2.947,405 1.176,406 2.562,407 1.557,408 3.505,409 2.1,410 1.145,411 1.577,413 2.657,414 1.084,415 2.5,416 1.127,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.081,425 1,426 3.06,427 1.794,428 0.819,429 0.98,431 1.427,432 0.786,433 1.508,434 0.782,435 2.843,436 1.065,437 0.219,438 0.27,440 0.52,441 0.171,442 1.112,443 0.584,444 2.517,445 0.669,446 -0.243,447 -0.299,449 -0.54,450 -0.193,451 0.852,452 0.263,453 2.242,454 0.391,455 -0.502,456 -0.629,458 -0.963,459 -0.414,460 0.671,461 -0.019,462 2,463 0.373,464 -0.603,465 -0.74,467 -1.255,468 -0.591,469 12.414,470 0.497,471 0.486,472 0.019,473 35.5,474 1.42,475 20,476 0.8,477 15.5,478 0.62,479 18.103,480 0.724,481 25.386,482 0.651,483 25.294,484 1.012,485 7.082,486 0.283,487 5.104,488 0.204,489 0.125,491 0.282,496 0.635,497 1.014,498 0.588,499 0.832,500 0.587,501 0.806,502 0.754,503 1.106,504 0.709,505 0.893,506 0.612,507 0.864,508 0.88,509 1.059,510 0.857,511 0.908,512 0.761,513 0.791,514 1.074,515 1.219,516 1.175,517 1.178,518 1.323,519 0.899,520 1.397,521 1.115,522 0.985,523 0.82,524 1.522,525 0.745,526 1.282,527 1.118,528 1.242,529 1.106,530 1.048,531 0.893,532 1.363,533 1.023,534 1.292,535 1.287,536 1.275,537 1.049,538 1.609,539 0.952,540 0.958,541 0.953,542 1.696,543 1.132,544 4,545 0.062,546 2.889,547 1.5,548 1.067,549 0.806,550 0.691,551 0.439,552 0.189,553 0.108,554 6485,555 21253,556 2.062,557 35.9,559 11,564 3,567 1.688,568 1.948,569 3.124,570 -0.711,575 71.014,576 1.821,577 3.473,578 4.032,579 4.661,580 4.907,581 4.907,582 2.493,583 4.404,584 4.613,585 3.283,586 985.01,587 8.023,588 12018.9,593 206.131,594 1.323,595 4.583,596 0.148,597 0.007,598 0.08,599 0.039,600 0.03,601 0.023,602 0.019,603 0.013,604 0.007,605 0.005,606 0.373,607 0.17,608 1,609 1.11,610 119.109,611 0.026,612 -0.002,613 0.035,614 0.002,615 -0.051,616 -0.002,617 0.136,618 -0.099,619 0.095,620 0.04,621 0.084,622 0.012,623 0.118,624 -0.027,625 0.256,626 0.182,627 0.099,628 0.184,629 0.151,630 -0.095,631 -0.013,632 -0.097,633 0.059,634 -0.012,635 -0.271,636 0.045,637 -0.077,638 0.085,639 -0.26,640 0.065,641 -0.257,642 0.086,643 -0.208,644 -0.079,645 -0.132,646 -0.073,647 -0.035,648 0.045,649 -0.232,650 -0.266,651 0.089,652 -0.201,653 -0.326,654 -0.081,655 -0.217,656 -0.117,657 -0.241,658 -0.251,659 2.225,660 5.177,661 0.72,662 21.206,663 1.017,664 1.109,665 4.11,666 16.893,667 0.744,668 3.332,669 3.611,670 3.871,671 4.094,672 4.317,673 4.369,674 4.522,675 4.585,676 4.625,677 4.595,678 5.617,679 0.709,680 371.87,681 3.332,682 4.844,683 5.68,684 6.538,685 7.394,686 8.262,687 9.128,688 10,689 10.87,690 11.746,691 7.7,701 3,706 1,709 9,710 3,714 6,716 18,726 1,737 1,738 39,739 19,740 2,741 27,743 41,744 18,745 15,746 3,747 9,748 1,752 3,753 3,754 1,759 1,768 16,769 2,772 1,778 1,782 1,789 14,790 5,792 7,793 2,797 3,803 1,804 2,823 3,855 3,856 1,857 1,859 1,860 1,862 25,869 1,872 1,873 1,885 1,886 5.1,889 1,891 1,893 12.833,894 7.493,895 5.694,896 2.387,898 3.135,899 1.451,900 0.972,901 5.77,902 10.08,903 3.638,904 4.212,905 4.785,906 5.332,907 5.881,908 6.082,909 6.535,910 6.888,911 7.247,912 7.556,913 0.833,914 38,915 9.189,917 3.825,918 7.844,919 17.186,921 13.46,924 2.344,925 58.611,929 164.795,930 152.558,931 50.112,932 39.149,933 36.145,935 32.22,936 120.339,937 240.089,938 50.112,939 8.825,940 4.592,941 85.286,942 82.448,943 24.321,944 1.122,945 197.015,946 39.149,947 164.795,948 170.45,949 36.145,950 71.368,952 131.81,953 71.458,956 16.174,957 101.836,958 89.26,959 32.22,960 164.795,961 86.256,962 191.707,965 164.795,966 58.447,967 94.111,969 125.405,970 164.795,971 86.256,972 191.707,973 0.564,974 0.333,975 0.181,976 0.098,977 16,978 7,979 0.146,980 6,982 1,983 3.654,984 203.603,986 18,987 112.096,989 1,993 17.56,994 8.215,995 4.232,997 86.256,998 16.779,999 12.63,1003 3.067,1006 442.759,1007 37,1013 12.177,1017 -0.559,1020 39.662,1021 43.269,1022 0.345,1023 0.657,1024 0.763,1025 0.882,1026 0.928,1027 0.928,1028 4.832,1029 1.271,1030 5.638,1031 3.191,1032 4.29,1033 4.898,1034 3.179,1035 6.418,1036 4.154,1037 6.025,1038 1.145,1039 7.177,1040 2.947,1041 3.761,1042 4.543,1044 7.273,1045 3.509,1046 7.315,1047 1,1048 8.822,1049 2.657,1050 5.844,1051 7.061,1052 5.125,1053 10.374,1054 5.579,1055 8.643,1056 0.819,1057 10.531,1058 2.136,1059 6.176,1060 7.539,1062 12.071,1063 5.793,1064 10.004,1065 0.219,1066 12.28,1067 1.427,1068 7.692,1069 9.499,1070 7.218,1071 14.658,1072 7.301,1073 11.389,1074 -0.243,1075 14.056,1076 0.52,1077 8.426,1078 10.382,1080 16.686,1081 7.925,1082 12.792,1083 -0.502,1084 15.85,1085 -0.54,1086 9.7,1087 12.077,1088 9.358,1089 19.089,1090 9.179,1091 3.079,1092 -0.603,1093 17.657,1094 -0.963,1095 10.624,1096 13.177,1098 21.26,1099 10.007,1100 2.787,1101 10.184,1102 19.473,1103 -1.255,1104 11.792,1105 14.732,1106 11.515,1107 23.592,1108 11.142,1109 2.702,1110 8.909,1111 21.296,1112 4.1,1113 12.806,1114 15.953,1116 25.829,1117 12.071,1118 2.061,1119 8.518,1120 23.124,1121 3.768,1122 13.931,1123 17.432,1124 13.676,1125 28.137,1126 13.152,1127 1.773,1128 5.802,1129 24.956,1130 3.587,1131 14.989,1132 18.723,1134 30.406,1135 14.134,1136 1.477,1137 4.429,1138 26.792,1139 2.792,1140 16.097,1141 20.162,1142 15.839,1143 32.708,1144 15.19,1145 1.414,1146 3.712,1147 28.63,1148 2.399,1149 17.177,1150 21.495,1152 34.994,1153 16.2,1154 6391,1155 11745,1156 18.087,1157 29,1158 39.883,1159 43.314,1160 40.964,1161 39.61,1162 39.492,1163 53.6,1164 9.249,1165 108.863,1166 36.721,1167 5.259,1168 6.597,1169 6.305,1170 5.156,1171 5.079,1172 7.1,1173 5.9,1174 17,1175 4.884,1176 10.933,1177 1.477,1178 1.604,1179 1.517,1180 1.467,1181 1.463,1182 1.985,1183 0.343,1184 4.032,1185 1.36,1186 3.979,1187 4.009,1188 4.15,1189 3.916,1190 7.433,1191 3.899,1192 3.87,1193 3.891,1194 3.904,1195 3.835,1196 5.085,1197 3.819,1198 3.725,1199 3.754,1200 3.734,1201 3.57,1202 4.917,1203 3.589,1204 3.491,1205 3.556,1206 3.417,1207 3.273,1208 4.693,1209 3.27,1210 3.123,1211 3.144,1212 3.305,1213 2.954,1214 4.449,1215 2.955,1216 2.925,1217 2.941,1218 3.212,1219 2.89,1220 4.341,1221 2.839,1222 2.876,1223 2.925,1224 3.021,1225 2.793,1226 4.065,1227 2.762,1228 2.854,1229 2.921,1230 2.687,1231 2.735,1232 3.764,1233 2.715,1234 0.164,1235 0.17,1236 0.241,1237 0.149,1238 0.114,1239 4.434,1240 0.152,1241 4.597,1242 0.109,1243 6.503,1244 0.377,1245 4.013,1246 0.107,1247 3.079,1248 4.1,1249 2.95,1250 10.184,1251 2.884,1252 1.923,1253 1.898,1254 2.022,1255 2.026,1256 1.09,1257 2.023,1258 1.868,1259 1.85,1260 1.945,1261 1.923,1262 1.061,1263 1.948,1264 1.629,1265 1.603,1266 1.81,1267 1.835,1268 0.94,1269 1.814,1270 1.455,1271 1.385,1272 1.603,1273 1.693,1274 0.642,1275 1.701,1276 1.027,1277 1.003,1278 1.181,1279 1.272,1280 0.254,1281 1.221,1282 0.889,1283 0.872,1284 1.159,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.824,1290 1.126,1291 1.031,1292 0.188,1293 1.077,1294 0.863,1295 0.821,1296 1.001,1297 0.967,1298 0.126,1299 1.012,1300 4.007,1302 5.293,1304 6.79,1306 8.38,1308 10.016,1310 1.734,1311 6.223,1315 0.247,1318 5.054,1319 1.257,1326 27.669,1327 71.014,1328 135.462,1329 157.237,1330 181.766,1331 191.376,1332 191.376,1333 41.701,1334 6.945,1335 64.97,1336 90.27,1337 18,1338 12.286,1339 4.322,1340 3.459,1341 41.35,1342 79,1343 87,1344 0.245,1345 179.818,1346 308.08,1347 430.515,1348 8492,1349 2.6,1350 17.648,1351 0.706,1352 0.597,1353 18.502,1354 14.92,1355 12.186,1356 0.451,1357 0.325,1358 7.595,1359 11.067,1360 7.314,1361 6.085,1362 12.883,1363 8.778,1364 10.419,1365 0.289,1366 0.176,1367 11.432,1368 6.346,1369 8.768,1370 0.187,1371 0.1,1372 10.047,1373 4.694,1374 7.179,1375 0.122,1376 0.054,1377 8.385,1378 3.176,1379 5.648,1380 0.076,1381 0.03,1382 6.818,1383 2.185,1384 0.372,1385 83.175,1386 0.235,1387 23.966,1388 0.708,1389 126,1390 425.47,1391 179.117,1392 460.852,1393 618.18,1394 430,1395 146,1396 415.975,1397 196.359,1398 444.123,1399 651.62,1400 418,1401 5.072}
{0 CHEMBL1305329,1 1.928,2 8.789,3 4.924,4 24.246,5 81.912,6 11.03,7 0.762,8 3.476,9 3.536,10 3.479,11 3.258,12 4.683,13 3.173,14 3.915,15 3.996,16 3.88,17 3.624,18 5.161,19 3.512,20 4.048,21 4.173,22 3.881,23 3.611,24 5.22,25 3.483,26 3.994,27 4.155,28 3.656,29 3.45,30 5.19,31 3.287,32 3.763,33 3.937,34 3.428,35 3.252,36 4.798,37 3.052,38 3.61,39 3.761,40 3.317,41 3.084,42 4.789,43 2.972,44 3.576,45 3.743,46 3.102,47 3.057,48 4.713,49 2.96,50 3.504,51 3.631,52 3.228,53 3.012,54 4.811,55 2.912,56 0.066,57 0.354,58 1.816,59 2.134,60 7.468,61 2.191,62 0.153,63 0.629,64 8.166,65 4.335,66 11.531,67 4.109,68 0.189,69 0.699,70 11.452,71 5.154,72 15.698,73 4.946,74 0.261,75 0.7,76 15.907,77 5.907,78 23.282,79 5.264,80 0.18,81 0.573,82 15.759,83 5.511,84 19.748,85 4.533,86 0.193,87 0.441,88 12.183,89 3.387,90 19.864,91 2.798,92 0.117,93 0.437,94 7.625,95 3.28,96 10.817,97 3.247,98 0.166,99 0.339,100 4.384,101 2.638,102 16.975,103 2.817,104 5,105 29,106 0.367,107 0.704,108 0.796,109 0.848,110 0.848,111 0.848,112 3.009,113 1.111,114 -4.86,115 -4.77,116 -4.48,120 46.4,126 1,143 5,144 1,145 1,147 1,148 1,151 1,152 1,153 1,174 4,176 1,177 3,180 1,185 8,189 2,194 1,197 6,201 3,204 1,206 2,209 4,214 4,222 1,227 4,232 1,235 2,245 2,247 3,252 2,257 2,260 4,271 2,274 404,275 12.878,276 12.878,277 12.878,278 12.878,279 12.878,280 10.92,281 9.037,282 7.607,283 13.56,284 10.371,285 10.371,286 10.371,287 10.371,288 10.371,289 7.475,290 6.942,291 3.642,292 11.574,293 2.88,294 1.111,295 0.629,296 0.357,297 0.357,298 0.357,299 3.69,303 1,306 1,307 1,308 365,309 2.236,312 42.717,313 106.6,316 74.55,320 1.296,321 16.068,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.333,333 167,334 4.535,335 4.438,336 6.492,337 3.985,338 3.071,339 4.489,340 3.272,341 10.122,342 2.8,343 4.015,344 3.167,345 5.445,346 3.582,347 2.626,348 3.616,350 7.239,351 2.509,352 3.653,353 2.966,354 5.262,355 3.14,356 2.299,357 3.068,359 6.693,360 1.918,361 3.417,362 2.806,363 5.057,364 2.951,365 2.051,366 2.774,368 5.762,369 1.811,370 3.38,371 2.183,372 4.878,373 2.892,374 1.98,375 2.684,377 5.66,378 1.736,379 2.618,380 2.063,381 3.703,382 2,383 1.155,384 1.672,386 2.702,387 1,388 2.5,389 1.243,390 3.414,391 1.981,392 1,393 1.5,395 2.275,396 0.935,397 2.213,398 1,399 3.414,400 1.689,401 0.824,402 1.107,404 2.046,405 0.692,406 1.846,407 0.895,408 3.138,409 1.431,410 0.594,411 0.727,413 1.427,414 0.478,415 1.152,416 0.562,417 2.654,418 0.684,419 -0.145,420 -0.177,422 -0.325,423 -0.102,424 1.022,425 0.388,426 2.425,427 0.532,428 -0.338,429 -0.445,431 -0.873,432 -0.289,433 0.62,434 -0.106,435 2,436 0.102,437 -0.73,438 -0.889,440 -1.914,441 -0.558,442 0.5,443 -0.515,444 1.904,446 -1,447 -1.436,449 -2.821,450 -0.897,451 0.155,452 -1,453 1.608,454 -0.261,455 -1.12,456 -1.5,458 -3,459 -1,460 -0.021,461 -1.039,462 1.54,463 -0.465,464 -1.292,465 -1.667,467 -3.222,468 -1.095,469 10.014,470 0.527,471 0.452,472 0.024,473 27,474 1.421,475 15,476 0.789,477 12,478 0.632,479 13.209,480 0.695,481 18.786,482 0.671,483 14.941,484 0.786,485 4.896,486 0.258,487 4.324,488 0.228,489 0.105,491 0.3,496 0.828,497 0.905,498 0.624,499 0.652,500 0.904,501 0.655,502 0.543,503 1.119,504 0.939,505 1.089,506 0.513,507 0.913,508 0.935,509 1.235,510 1,511 1.117,512 0.92,513 1.072,514 1.077,515 1.034,516 1.171,517 1.158,518 1.016,519 1.084,520 1.064,521 1.062,522 1.016,523 1.06,524 1.056,525 1.044,526 1.514,527 0.93,528 0.956,529 0.796,530 1.482,531 0.958,532 0.913,533 0.893,534 0.762,535 0.838,536 0.804,537 0.91,538 0.985,539 0.79,540 0.674,541 0.8,542 1.28,543 1.001,544 4,545 0.05,546 2,547 0.875,548 1.067,549 0.261,550 0.217,551 0.258,552 0.119,553 0.091,554 3592,555 13281,556 2.113,557 32.1,559 7,560 1,562 1,567 1.597,568 2,569 3.122,570 -0.198,575 53.971,576 1.928,577 3.696,578 4.178,579 4.45,580 4.45,581 4.45,582 2.524,583 3.892,584 4.223,585 3.248,586 555.431,587 7.16,588 5527.22,590 1,593 134.606,594 1.324,595 4.189,596 0.19,597 0.01,598 0.069,599 0.034,600 0.053,601 0.017,602 0.014,603 0.017,604 0.009,605 0.01,606 0.424,607 0.5,608 1,609 0.565,610 83.234,611 -0.121,612 0.004,613 0.002,614 0.098,615 -0.167,616 0.064,617 0.161,618 -0.124,619 -0.088,620 -0.164,621 0.128,622 -0.1,623 -0.037,624 -0.264,625 -0.055,626 -0.186,627 -0.074,628 -0.16,629 -0.037,630 0.026,631 -0.122,632 -0.082,633 0.027,634 -0.064,635 -0.168,636 -0.001,637 -0.002,638 0.074,639 -0.125,640 0.026,641 -0.351,642 0.087,643 -0.08,644 0.044,645 -0.329,646 -0.064,647 -0.11,648 0.079,649 -0.054,650 -0.008,651 0.008,652 0.038,653 0.145,654 0.042,655 0.066,656 -0.017,657 0.032,658 -0.097,659 1.612,660 3.803,661 0.789,662 12.62,663 1.019,664 1.095,665 3.634,666 13.206,667 0.809,668 3.091,669 3.401,670 3.638,671 3.871,672 4.025,673 4.007,674 4.007,675 4.111,676 4.06,677 4.078,678 5.247,679 0.752,680 308.83,681 3.091,682 4.615,683 5.451,684 6.315,685 7.166,686 8.033,687 8.89,688 9.759,689 10.619,690 11.489,691 7.1,701 2,708 2,709 6,710 2,713 1,714 4,716 16,734 1,737 1,738 28,739 16,740 1,741 21,743 30,744 13,745 12,746 2,747 4,752 3,753 4,754 1,768 12,769 1,789 9,790 3,791 1,792 6,793 3,797 2,803 0.667,804 1,817 1,822 1,823 2,826 1,855 2,856 1,857 2,860 1,862 19,868 1,869 1,873 1,880 1,885 1,886 3.6,888 1,893 9.5,894 5.076,895 4.139,896 1.508,898 3.028,899 1.462,900 0.99,901 3.8,902 9.58,903 3.401,904 4.056,905 4.662,906 5.258,907 5.731,908 5.938,909 6.191,910 6.564,911 6.571,912 6.839,913 0.833,914 26,915 6.974,917 2.964,918 7.778,919 13.24,921 10.828,924 2.278,925 43.278,926 0.001,929 94.169,930 129.696,931 33.571,932 39.149,933 42.683,935 63.497,936 66.199,937 176.001,938 33.571,940 0.9,941 55.03,942 76.254,943 8.83,944 13.21,945 145.895,946 39.149,947 94.169,948 99.77,949 42.683,950 102.646,952 94.169,953 42.683,956 3.737,957 62.462,958 72.72,959 63.497,960 94.169,961 76.254,962 168.845,965 94.169,966 74.666,967 55.03,969 115.403,970 94.169,971 76.254,972 168.845,973 0.582,974 0.333,975 0.175,976 0.092,977 15,978 6,979 0.1,980 3,981 1,982 1.133,983 3.257,984 136.594,985 0.133,986 15,987 76.711,989 2,993 13.005,994 5.551,995 2.951,996 1.52,997 76.254,998 11.437,999 8.503,1002 1.44,1003 2.502,1005 42.683,1006 339.268,1007 29,1020 28.542,1021 30.651,1022 0.401,1023 0.769,1024 0.869,1025 0.926,1026 0.926,1027 0.926,1028 4.605,1029 0.824,1030 5.425,1031 2.275,1032 4.078,1033 4.741,1034 3.11,1035 6.192,1036 3.871,1037 5.826,1038 0.594,1039 6.956,1040 2.046,1041 3.611,1042 4.559,1044 6.986,1045 3.285,1046 7.134,1047 -0.145,1048 8.581,1049 1.427,1050 5.631,1051 7.016,1052 5.44,1053 10.054,1054 5.26,1055 8.48,1056 -0.338,1057 10.263,1058 -0.325,1059 5.969,1060 7.68,1062 11.687,1063 5.479,1064 9.856,1065 -0.73,1066 11.981,1067 -0.873,1068 7.451,1069 9.585,1070 7.807,1071 14.27,1072 6.927,1073 11.254,1074 -1,1075 13.727,1076 -1.914,1077 8.173,1078 10.664,1080 16.278,1081 7.534,1082 12.67,1083 -1.12,1084 15.493,1085 -2.821,1086 9.432,1087 12.336,1088 10.177,1089 18.694,1090 8.752,1091 3.071,1092 -1.292,1093 17.275,1094 -3,1095 10.349,1096 13.629,1098 20.874,1099 9.558,1100 2.626,1101 10.122,1102 19.072,1103 -3.222,1104 11.515,1105 15.199,1106 12.548,1107 23.228,1108 10.667,1109 2.299,1110 7.239,1111 20.88,1112 4.489,1113 12.531,1114 16.598,1116 25.483,1117 11.575,1118 2.051,1119 6.693,1120 22.698,1121 3.616,1122 13.659,1123 18.124,1124 14.919,1125 27.814,1126 12.634,1127 1.98,1128 5.762,1129 24.525,1130 3.068,1131 14.724,1132 19.575,1134 30.102,1135 13.595,1136 1.155,1137 5.66,1138 26.36,1139 2.774,1140 15.84,1141 21.084,1142 17.29,1143 32.424,1144 14.63,1145 1,1146 2.702,1147 28.2,1148 2.684,1149 16.93,1150 22.56,1152 34.726,1153 15.619,1154 3451,1155 6748,1156 14.216,1157 22.665,1158 31.497,1159 34.076,1160 31.892,1161 31.359,1162 31.202,1163 43.273,1164 6.545,1165 87.854,1166 27.76,1167 5.359,1168 6.438,1169 5.982,1170 5.135,1171 5.071,1172 7.489,1173 6.545,1174 17.01,1175 4.8,1176 7.533,1177 1.5,1178 1.623,1179 1.519,1180 1.493,1181 1.486,1182 2.061,1183 0.312,1184 4.184,1185 1.322,1186 4.033,1187 4.045,1188 4.321,1189 4.026,1190 6.475,1191 3.971,1192 3.901,1193 3.923,1194 4.022,1195 3.868,1196 4.96,1197 3.848,1198 3.342,1199 3.365,1200 3.814,1201 3.35,1202 4.923,1203 3.25,1204 3.135,1205 3.173,1206 3.34,1207 2.995,1208 4.348,1209 2.99,1210 2.854,1211 2.925,1212 3.072,1213 2.735,1214 4.268,1215 2.715,1216 2.854,1217 2.872,1218 2.892,1219 2.717,1220 3.71,1221 2.695,1222 2.504,1223 2.558,1224 2.687,1225 2.458,1226 3.674,1227 2.359,1228 2.243,1229 2.314,1230 2.391,1231 2.099,1232 3.51,1233 2.075,1234 0.216,1235 0.211,1236 0.309,1237 0.19,1238 0.146,1239 4.535,1240 0.214,1241 4.438,1242 0.156,1243 6.492,1244 0.482,1245 3.985,1246 0.133,1247 3.071,1248 4.489,1249 3.272,1250 10.122,1251 2.8,1252 1.903,1253 1.883,1254 1.991,1255 1.969,1256 1.155,1257 1.989,1258 1.767,1259 1.749,1260 1.769,1261 1.901,1262 0.891,1263 1.877,1264 1.395,1265 1.388,1266 1.41,1267 1.457,1268 0.655,1269 1.509,1270 1.208,1271 1.187,1272 1.345,1273 1.303,1274 0.615,1275 1.368,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.751,1283 0.74,1284 0.775,1285 0.943,1287 0.901,1288 0.549,1289 0.526,1290 0.743,1291 0.807,1293 0.854,1294 0.406,1295 0.329,1296 0.619,1297 0.646,1299 0.697,1300 3.761,1302 5.069,1303 2.398,1304 6.564,1305 4.595,1306 8.148,1307 6.605,1308 9.779,1311 5.839,1314 9.803,1315 0.742,1319 1.491,1326 21.067,1327 53.971,1328 103.487,1329 116.996,1330 124.606,1331 124.606,1332 124.606,1333 23.924,1334 6.553,1335 46.01,1336 99.55,1337 17,1338 12.034,1339 4.087,1340 3.17,1341 28.029,1342 60,1343 59,1344 0.231,1345 140.978,1346 228.22,1347 335.748,1348 5549,1349 3.6,1350 13.242,1351 0.697,1352 0.637,1353 14.449,1354 12.096,1355 9.22,1356 0.439,1357 0.37,1358 5.685,1359 7.8,1360 5.348,1361 4.403,1362 10.417,1363 7.78,1364 8.373,1365 0.289,1366 0.213,1367 9.915,1368 6.175,1369 6.909,1370 0.187,1371 0.125,1372 8.594,1373 4.616,1374 5.657,1375 0.12,1376 0.07,1377 7.283,1378 3.267,1379 4.347,1380 0.079,1381 0.04,1382 5.85,1383 2.218,1384 0.363,1385 68.974,1386 0.265,1387 19.204,1388 0.626,1389 100,1390 309.364,1391 167.574,1392 375.34,1393 500.16,1394 350,1395 116,1396 312.984,1397 171.443,1398 355.427,1399 521.32,1400 333,1401 4.659}
{0 CHEMBL1305462,1 1.733,2 11.222,3 3.028,4 9.169,5 98.374,6 8.839,7 0.7,8 3.868,9 3.98,10 3.574,11 3.391,12 5.154,13 3.418,14 4.333,15 4.469,16 3.945,17 3.767,18 5.726,19 3.789,20 4.517,21 4.691,22 3.939,23 3.82,24 5.804,25 3.819,26 4.564,27 4.755,28 3.914,29 3.74,30 5.938,31 3.742,32 4.421,33 4.603,34 3.759,35 3.626,36 5.966,37 3.627,38 4.352,39 4.521,40 3.571,41 3.592,42 5.66,43 3.566,44 4.244,45 4.444,46 3.502,47 3.514,48 5.433,49 3.474,50 4.222,51 4.434,52 3.354,53 3.35,54 5.513,55 3.301,56 0.205,57 0.684,58 5.736,59 3.016,60 5.924,61 3.373,62 0.366,63 1.046,64 10.61,65 4.925,66 43.502,67 5.703,68 0.447,69 1.183,70 14.802,71 5.993,72 37.691,73 7.064,74 0.678,75 1.14,76 17.815,77 6.143,78 50.768,79 7.54,80 0.668,81 0.954,82 15.838,83 5.465,84 92.126,85 6.379,86 0.566,87 0.885,88 14.653,89 5.532,90 86.372,91 5.668,92 0.296,93 0.851,94 12.451,95 4.958,96 18.108,97 6.195,98 0.432,99 0.745,100 14.151,101 5.084,102 44.085,103 6.404,104 18,105 43,106 0.296,107 0.652,108 0.763,109 0.847,110 0.855,111 0.855,112 3.34,113 0.806,114 -3.78,115 -3.74,116 -3.56,120 43.9,125 1,143 8,144 1,145 2,147 2,152 1,153 1,159 1,162 1,167 3,174 7,176 1,177 2,180 2,182 4,185 6,188 3,189 4,192 1,194 6,197 3,200 6,201 5,204 2,206 4,209 2,213 2,214 4,217 2,222 6,227 7,230 1,231 1,235 8,240 9,247 4,251 1,252 6,255 1,257 2,263 1,264 2,267 1,269 2,274 1051,275 18.102,276 18.102,277 18.102,278 18.102,279 18.102,280 15.261,281 15.635,282 10.531,283 18.376,284 14.821,285 14.821,286 14.821,287 14.821,288 14.821,289 10.503,290 21.78,291 5.018,292 15.279,293 3.625,294 1.544,295 0.896,296 0.409,297 0.36,298 0.36,299 4.034,305 1,306 1,307 1,308 663,309 3.317,312 144.953,313 170.026,316 121.749,320 1.918,321 33.24,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 60,333 303,334 4.527,335 3.837,336 6.646,337 4.101,338 3.129,339 4.438,340 2.612,341 10.607,342 3.035,343 4.507,344 3.532,345 6.372,346 4.018,347 3.059,348 4.258,349 1.058,350 9.883,351 2.933,352 4.08,353 3.06,354 5.909,355 3.646,356 2.665,357 3.709,359 8.263,360 2.615,361 3.81,362 2.683,363 5.57,364 3.391,365 2.416,366 3.232,368 7.332,369 2.348,370 3.65,371 2.597,372 5.206,373 3.099,374 2.134,375 3.064,377 6.124,378 2.066,379 3.447,380 2.337,381 4.93,382 3.025,383 2.052,384 2.74,386 5.664,387 1.976,388 3.032,389 1.788,390 4.414,391 2.512,392 1.532,393 2.298,395 4.312,396 1.5,397 3.016,398 1.547,399 4.308,400 2.495,401 1.532,402 2.26,404 3.948,405 1.474,406 2.713,407 1.532,408 3.962,409 2.178,410 1.209,411 1.757,413 2.916,414 1.168,415 2.619,416 1.204,417 3.591,418 2.043,419 1.049,420 1.598,422 2.727,423 1.036,424 2.5,425 1.062,426 3.528,427 2,428 1,429 1.5,431 2.275,432 1,433 2.27,434 1,435 3.414,436 1.696,437 0.729,438 1.099,440 1.993,441 0.702,442 1.847,443 1,444 3,445 1.295,446 0.347,447 0.521,449 0.86,450 0.328,451 1.303,452 0.497,453 2.78,454 0.916,455 -0.074,456 -0.097,458 -0.185,459 -0.073,460 1,461 0.347,462 2.429,463 0.291,464 -0.697,465 -0.853,467 -1.771,468 -0.671,469 12.4,470 0.459,471 0.75,472 0.028,473 41.25,474 1.528,475 23,476 0.852,477 18.25,478 0.676,479 16.117,480 0.597,481 27.8,482 0.678,483 31.327,484 1.16,485 8.358,486 0.31,487 4.65,488 0.172,489 0.121,491 0.387,496 0.513,497 1.158,498 0.623,499 0.904,500 0.517,501 0.81,502 0.6,503 1.256,504 0.695,505 1.003,506 0.425,507 0.89,508 0.817,509 1.111,510 0.958,511 1.096,512 0.699,513 1.06,514 0.858,515 0.954,516 0.97,517 0.998,518 0.966,519 1.007,520 0.994,521 0.856,522 1.006,523 0.882,524 0.893,525 0.921,526 1.537,527 0.801,528 1.334,529 0.898,530 1.761,531 1.058,532 0.777,533 1.125,534 1.028,535 1.179,536 0.572,537 1.157,538 0.96,539 1.032,540 1.068,541 1.14,542 1.039,543 1.15,544 6,545 0.159,546 3.111,547 2.014,548 1.989,549 0.656,550 0.408,551 0.393,552 0.207,553 0.181,554 9760,555 31825,556 2.097,557 34.1,559 11,560 1,562 2,567 1.695,568 1.952,569 3.455,570 0.341,571 1,572 1,575 71.033,576 1.733,577 3.814,578 4.461,579 4.949,580 4.998,581 4.998,582 2.904,583 4.134,584 4.729,585 3.669,586 1287.94,587 8.178,588 16993.1,589 1,590 1,592 1,593 219.66,594 1.447,595 4.681,596 0.2,597 0.008,598 0.072,599 0.049,600 0.052,601 0.02,602 0.015,603 0.015,604 0.01,605 0.01,606 0.452,607 0.33,608 1,609 0.76,610 135.502,611 0.133,612 0.004,613 0.048,614 0.042,615 -0.039,616 0.02,617 0.12,618 -0.156,619 0.07,620 -0.045,621 0.178,622 -0.009,623 -0.024,624 -0.061,625 -0.08,626 -0.145,627 -0.018,628 -0.13,629 0.16,630 0.041,631 0.022,632 -0.054,633 0.018,634 -0.055,635 0.109,636 0.105,637 -0.007,638 0.092,639 0.279,640 0.045,641 -0.357,642 0.128,643 -0.354,644 0.109,645 -0.4,646 -0.089,647 -0.071,648 -0.148,649 -0.079,650 -0.178,651 0.019,652 -0.13,653 0.024,654 -0.154,655 0.013,656 -0.114,658 -0.073,659 2.632,660 5.315,661 0.741,662 25.251,663 1.027,664 1.129,665 2.551,666 6.509,667 0.694,668 3.434,669 3.784,670 4.06,671 4.344,672 4.522,673 4.522,674 4.595,675 4.745,676 4.779,677 4.905,678 6.942,679 0.692,680 362.38,681 3.434,682 4.99,683 5.849,684 6.739,685 7.616,686 8.506,687 9.389,688 10.278,689 11.164,690 12.052,691 14.6,698 1,699 2,701 2,702 1,708 2,709 9,710 2,711 1,714 5,715 1,716 21,723 1,731 1,738 41,739 24,740 2,741 30,743 44,744 18,745 16,746 4,747 8,748 1,752 4,753 5,768 17,769 1,772 3,775 1,778 3,782 1,785 1,786 1,789 14,790 6,791 2,792 9,794 1,797 6,803 0.75,804 3,814 1,822 2,823 2,826 1,855 3,859 1,862 27,871 1,886 7.3,889 1,892 2,893 13.833,894 7.8,895 5.806,896 2.254,898 4.161,899 1.548,900 1.021,901 4.28,902 11.76,903 3.795,904 4.466,905 5.075,906 5.705,907 6.195,908 6.475,909 6.842,910 7.331,911 7.587,912 7.991,913 1,914 41,915 9.942,917 4.358,918 8.068,919 18.236,921 14.819,924 2.568,925 69.333,928 1,929 141.253,930 116.03,931 75.691,933 75.892,936 116.03,937 217.145,938 75.691,939 14.066,940 18.011,941 84.857,942 65.626,943 32.162,944 13.915,945 129.482,946 50.747,947 141.253,948 191.722,949 75.892,952 141.253,953 25.145,954 50.747,956 43.802,957 108.802,958 39.119,960 141.253,961 151.583,962 116.03,965 141.253,966 22.777,967 100.7,968 34.796,969 109.34,970 141.253,971 151.583,972 116.03,973 0.59,974 0.345,975 0.191,976 0.106,977 22,978 10,979 0.091,980 4,981 1,982 1.1,983 3.942,984 230.737,985 0.1,986 20,987 122.382,993 17.095,994 6.76,995 3.36,996 1.805,997 127.351,998 15.927,999 8.39,1000 3.234,1003 1.5,1004 1.234,1005 34.796,1006 408.867,1007 43.5,1010 -0.632,1013 34.374,1017 -0.64,1020 42.127,1021 46.279,1022 0.323,1023 0.712,1024 0.833,1025 0.924,1026 0.933,1027 0.933,1028 5.026,1029 1.532,1030 5.849,1031 4.312,1032 4.466,1033 5.153,1034 2.67,1035 6.673,1036 4.405,1037 6.269,1038 1.209,1039 7.418,1040 3.948,1041 4.111,1042 5.066,1043 2.361,1044 7.576,1045 4.018,1046 7.597,1047 1.049,1048 9.082,1049 2.916,1050 6.075,1051 7.437,1052 4.193,1053 10.674,1054 5.949,1055 8.961,1056 1,1057 10.803,1058 2.727,1059 6.524,1060 8.17,1061 4.506,1062 12.406,1063 6.36,1064 10.354,1065 0.729,1066 12.559,1067 2.275,1068 7.975,1069 10.01,1070 5.955,1071 15.01,1072 7.782,1073 11.769,1074 0.347,1075 14.341,1076 1.993,1077 8.786,1078 11.125,1079 6.556,1080 17.085,1081 8.553,1082 13.201,1083 -0.074,1084 16.141,1085 0.86,1086 10.035,1087 12.749,1088 7.796,1089 19.517,1090 9.772,1091 3.129,1092 -0.697,1093 17.955,1094 -0.185,1095 11.014,1096 14.048,1097 8.548,1098 21.74,1099 10.712,1100 3.059,1101 10.607,1102 19.779,1103 -1.771,1104 12.183,1105 15.581,1106 9.67,1107 24.11,1108 11.849,1109 2.665,1110 9.883,1111 21.613,1112 4.438,1113 13.24,1114 16.969,1115 10.509,1116 26.398,1117 12.868,1118 2.416,1119 8.263,1120 23.453,1121 4.258,1122 14.379,1123 18.464,1124 11.563,1125 28.746,1126 13.974,1127 2.134,1128 7.332,1129 25.299,1130 3.709,1131 15.473,1132 19.895,1133 12.452,1134 31.064,1135 15.03,1136 2.052,1137 6.124,1138 27.151,1139 3.232,1140 16.601,1141 21.376,1142 13.468,1143 33.407,1144 16.125,1145 1.532,1146 5.664,1147 29.006,1148 3.064,1149 17.712,1150 22.828,1151 14.386,1152 35.738,1153 17.199,1154 9194,1155 16791,1156 19.997,1157 28.443,1158 46.337,1159 48.048,1160 47.164,1161 45.691,1162 45.707,1163 64.948,1164 7.342,1165 133.809,1166 44.36,1167 5.368,1168 5.837,1169 6.328,1170 5.147,1171 5.129,1172 7.438,1173 4.612,1174 17.567,1175 5.035,1176 13.522,1177 1.545,1178 1.602,1179 1.572,1180 1.523,1181 1.524,1182 2.165,1183 0.245,1184 4.46,1185 1.479,1186 4.126,1187 4.167,1188 4.092,1189 4.011,1190 7.815,1191 4.024,1192 4.024,1193 4.071,1194 4.005,1195 3.82,1196 7.429,1197 3.846,1198 3.852,1199 3.884,1200 3.795,1201 3.75,1202 6.999,1203 3.767,1204 3.481,1205 3.524,1206 3.458,1207 3.216,1208 5.082,1209 3.237,1210 3.398,1211 3.455,1212 3.323,1213 3.024,1214 4.871,1215 3.07,1216 3.255,1217 3.302,1218 3.174,1219 2.943,1220 4.701,1221 3.04,1222 2.913,1223 2.981,1224 2.792,1225 2.777,1226 4.315,1227 2.771,1228 2.861,1229 2.947,1230 2.7,1231 2.735,1232 3.853,1233 2.715,1234 0.151,1235 0.128,1236 0.222,1237 0.137,1238 0.104,1239 4.527,1240 0.148,1241 3.837,1242 0.087,1243 6.646,1244 0.354,1245 4.101,1246 0.101,1247 3.129,1248 4.438,1249 2.612,1250 10.607,1251 3.035,1252 1.921,1253 1.892,1254 2.018,1255 2.03,1256 1.116,1257 2.025,1258 1.903,1259 1.876,1260 2.001,1261 1.999,1262 1.087,1263 1.999,1264 1.641,1265 1.617,1266 1.754,1267 1.958,1268 0.816,1269 1.869,1270 1.487,1271 1.406,1272 1.626,1273 1.802,1274 0.651,1275 1.762,1276 1.329,1277 1.265,1278 1.448,1279 1.616,1280 0.478,1281 1.567,1282 1.07,1283 1.027,1284 1.235,1285 1.446,1286 0.226,1287 1.386,1288 0.947,1289 0.894,1290 1.181,1291 1.135,1292 0.218,1293 1.136,1294 0.886,1295 0.821,1296 1.127,1297 1.062,1298 0.186,1299 1.107,1300 4.111,1302 5.451,1303 3.045,1304 6.969,1305 5.416,1306 8.566,1307 7.526,1308 10.205,1310 1.52,1317 2.622,1326 28.38,1327 71.033,1328 156.375,1329 182.905,1330 202.905,1331 204.905,1332 204.905,1333 47.695,1334 7.599,1335 121.42,1336 121.42,1337 22,1338 12.583,1339 4.644,1340 3.858,1341 40.5,1342 115,1343 90,1344 0.173,1345 174.412,1346 290.25,1347 417.326,1348 21674,1350 18.966,1351 0.702,1352 0.526,1353 18.966,1354 14.21,1355 13.008,1356 0.434,1357 0.269,1358 7.906,1359 12.342,1360 7.756,1361 6.445,1362 13.008,1363 8.057,1364 12.178,1365 0.283,1366 0.138,1367 12.178,1368 5.928,1369 10.027,1370 0.176,1371 0.071,1372 10.027,1373 4.027,1374 8.556,1375 0.113,1376 0.036,1377 8.556,1378 2.763,1379 6.963,1380 0.077,1381 0.02,1382 6.963,1383 1.789,1384 0.278,1385 82.854,1386 0.224,1387 26.219,1388 0.46,1389 146,1390 504.453,1391 164.41,1392 487.342,1393 659.31,1394 450,1395 173,1396 498.787,1397 192.58,1398 497.615,1399 721.93,1400 466,1401 4.495}
{0 CHEMBL1305475,1 1.391,2 9.286,3 2.704,4 7.314,5 85.482,6 7.352,7 0.261,8 3.717,9 3.825,10 3.281,11 3.341,12 4.819,13 3.303,14 4.247,15 4.41,16 3.625,17 3.733,18 5.298,19 3.675,20 4.502,21 4.71,22 3.721,23 3.832,24 5.597,25 3.762,26 4.502,27 4.707,28 3.649,29 3.752,30 5.806,31 3.677,32 4.407,33 4.623,34 3.434,35 3.589,36 5.614,37 3.51,38 4.176,39 4.379,40 3.172,41 3.44,42 5.275,43 3.322,44 4.07,45 4.318,46 2.933,47 3.309,48 4.921,49 3.15,50 3.958,51 4.216,52 2.741,53 3.061,54 4.89,55 2.923,56 0.01,57 0.488,58 7.394,59 3.624,60 4.613,61 4.678,62 0.068,63 0.828,64 13.897,65 6.05,66 10.426,67 8,68 0.112,69 1.024,70 19.502,71 7.996,72 20.982,73 10.677,74 0.238,75 0.989,76 19.984,77 7.945,78 62.449,79 10.425,80 0.236,81 0.888,82 18.907,83 6.931,84 52.438,85 8.832,86 0.249,87 0.722,88 14.4,89 5.683,90 35.597,91 7.488,92 0.053,93 0.658,94 12.95,95 5.537,96 15.359,97 7.767,98 0.139,99 0.575,100 12.352,101 4.499,102 27.845,103 6.095,104 13,105 32,106 0.249,107 0.588,108 0.748,109 0.785,110 0.785,111 0.785,112 3.104,113 0.948,114 -3.88,115 -3.84,116 -3.64,120 47.4,121 1,122 2,126 1,136 2,137 2,138 2,143 4,144 2,158 2,174 11,177 7,185 12,189 8,197 7,200 1,201 10,209 10,214 2,222 9,226 2,227 2,235 8,240 2,247 2,252 4,260 3,264 2,271 4,274 557,275 14.405,276 14.405,277 14.405,278 14.405,279 14.405,280 13.027,281 10.68,282 8.633,283 14.473,284 11.294,285 11.294,286 11.294,287 11.294,288 11.294,289 8.957,290 10.303,291 4.02,292 11.368,293 3.856,294 1.961,295 1.072,296 0.862,297 0.862,298 0.862,299 3.784,305 1,306 1,307 1,308 419,309 2.55,312 42.322,313 117.346,316 83.231,320 1.605,321 22.049,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44.5,333 195,334 4.707,335 3.853,336 7.076,337 4.374,338 3.355,339 4.311,340 0.8,341 12.122,342 3.415,343 4.052,344 3.218,345 6.078,346 3.637,347 2.663,348 3.536,350 8.644,351 2.606,352 3.593,353 2.876,354 5.491,355 3.298,356 2.346,357 2.775,359 6.943,360 2.223,361 3.441,362 2.471,363 5.355,364 3.079,365 2.026,366 2.65,368 6.426,369 2.125,370 3.1,371 2.21,372 4.809,373 2.759,374 1.749,375 2.234,377 4.865,378 1.761,379 2.732,380 1.474,381 3.644,382 2.414,383 1.422,384 1.718,386 2.913,387 1.409,388 2.699,389 1.35,390 3.618,391 2.23,392 1.228,393 1.562,395 2.604,396 1.229,397 2.48,398 1.261,399 3.446,400 1.984,401 1,402 1.407,404 2.275,405 0.983,406 2.444,407 1.077,408 3.414,409 1.948,410 0.914,411 1.387,413 2.21,414 0.94,415 1.913,416 0.95,417 3.015,418 1.373,419 0.376,420 0.458,422 0.671,423 0.372,424 1.245,425 0.381,426 2.468,427 1.012,428 -0.045,429 -0.064,431 -0.096,432 -0.048,433 0.926,434 -0.07,435 2.343,436 0.464,437 -0.585,438 -0.74,440 -1.25,441 -0.603,442 0.832,443 -0.413,444 2.094,445 0.414,446 -0.599,447 -0.833,449 -1.379,450 -0.608,451 0.603,452 -0.784,453 2,454 0.126,455 -0.889,456 -1,458 -2.127,459 -0.902,461 -0.808,462 2,463 -0.049,464 -1,465 -1.31,467 -2.287,468 -0.946,469 10.067,470 0.479,471 0.452,472 0.022,473 26.25,474 1.25,475 13.5,476 0.643,477 12.75,478 0.607,479 15.273,480 0.727,481 21.733,482 0.572,483 18.457,484 0.879,485 5.156,486 0.246,487 5.064,488 0.241,489 0.116,491 0.338,496 0.544,497 1.15,498 0.766,499 1.005,500 0.497,501 0.928,502 0.712,503 1.005,504 0.85,505 0.943,506 0.558,507 0.907,508 0.839,509 0.937,510 0.779,511 0.922,512 0.78,513 0.848,514 0.999,515 1.024,516 0.885,517 1.017,518 0.954,519 0.948,520 1.653,521 0.888,522 1.057,523 0.868,524 1.619,525 0.881,526 1.079,527 1.045,528 1.193,529 1.053,530 1.285,531 1.135,532 0.389,533 1.167,534 0.951,535 1.168,536 0.416,537 1.141,538 1.231,539 0.968,540 1.071,541 0.93,542 1.2,543 0.969,544 3,545 0.04,546 2.444,547 2.361,548 1.169,549 0.643,550 0.317,551 0.237,552 0.14,553 0.089,554 4204,555 9962,556 2.074,557 44.7,558 5,559 8,560 2,564 2,567 1.631,568 1.938,569 3.141,570 -0.844,572 1,574 1,575 52.876,576 1.391,577 3.287,578 4.175,579 4.386,580 4.386,581 4.386,582 2.743,583 3.345,584 4.355,585 3.296,586 692.095,587 7.461,588 7170.07,589 1,590 1,591 1,592 1,593 199.421,594 1.418,595 4.322,596 0.13,597 0.005,598 0.076,599 0.069,600 0.039,601 0.027,602 0.018,603 0.017,604 0.013,605 0.009,606 0.403,607 1,608 1,609 1.238,610 94.322,611 0.005,612 -0.088,613 0.046,614 -0.01,615 -0.02,616 0.015,617 -0.029,618 0.054,619 0.031,620 0.029,621 0.007,622 0.041,623 0.036,624 0.06,625 0.175,626 0.053,627 0.058,628 0.125,629 0.164,630 -0.058,631 0.104,632 -0.047,633 0.254,634 0.013,635 -0.185,636 0.085,637 -0.022,638 0.085,639 -0.098,640 0.059,641 0.039,642 -0.06,643 -0.221,644 -0.09,645 -0.166,646 -0.184,647 0.079,648 -0.221,649 -0.011,650 -0.176,651 0.01,652 -0.119,653 -0.121,654 0.003,655 -0.038,656 0.023,657 -0.131,658 0.006,659 1.832,660 5.4,661 0.714,662 16.834,663 0.995,664 1.112,665 2.651,666 7.027,667 0.684,668 3.178,669 3.497,670 3.829,671 4.127,672 4.331,673 4.357,674 4.5,675 4.564,676 4.522,677 4.466,678 5.326,679 0.649,680 279.36,681 3.178,682 4.71,683 5.58,684 6.472,685 7.367,686 8.273,687 9.178,688 10.09,689 11.002,690 11.918,691 2.6,694 1,709 4,714 2,716 6,721 2,738 38,739 11,740 1,741 23,743 40,744 18,745 6,746 2,747 4,748 8,752 3,753 4,759 1,766 2,768 14,769 4,772 5,778 2,780 4,782 4,785 1,786 1,789 17,790 3,792 3,797 1,803 0.667,804 2,822 1,823 2,826 1,845 2,846 2,851 1,855 2,859 1,862 21,869 3,875 1,886 5.3,889 2,893 10.833,894 7.2,895 4.75,896 2.581,898 2.555,899 1.373,900 0.991,901 3.678,902 9.41,903 3.466,904 3.998,905 4.642,906 5.209,907 5.721,908 5.965,909 6.382,910 6.7,911 6.908,912 7.109,913 1,914 34,915 7.823,917 3.388,918 7.81,919 14.924,921 12.364,924 2.31,925 48.5,926 0.001,929 200.109,930 113.962,931 3.124,933 50.29,936 113.962,937 250.399,938 3.124,939 8.825,940 25.27,941 56.857,942 60.557,943 15.867,944 23.542,945 176.567,947 200.109,948 117.086,949 50.29,952 176.567,953 73.832,956 19.124,957 79.009,958 18.952,960 200.109,961 53.414,962 113.962,965 200.109,966 30.184,967 86.902,969 50.29,970 200.109,971 53.414,972 113.962,973 0.571,974 0.35,975 0.2,976 0.109,977 16,978 7,979 0.075,980 3,981 1,982 1.133,983 3.319,984 162.998,985 0.133,986 15,987 78.239,993 13.723,994 5.629,995 2.41,997 53.414,998 7.007,1003 1.028,1006 367.484,1007 31,1013 24.8,1015 7.572,1017 0.664,1020 37.825,1021 42.239,1022 0.265,1023 0.626,1024 0.796,1025 0.836,1026 0.836,1027 0.836,1028 4.705,1029 1,1030 5.565,1031 2.604,1032 4.174,1033 4.682,1034 0.673,1035 6.425,1036 4.172,1037 5.906,1038 0.914,1039 7.152,1040 2.275,1041 3.761,1042 4.407,1043 0.325,1044 7.452,1045 3.779,1046 7.216,1047 0.376,1048 8.85,1049 2.21,1050 5.796,1051 6.833,1052 0.379,1053 10.626,1054 5.801,1055 8.571,1056 -0.045,1057 10.615,1058 0.671,1059 6.275,1060 7.46,1061 0.268,1062 12.542,1063 6.317,1064 9.967,1065 -0.585,1066 12.423,1067 -0.096,1068 7.768,1069 9.323,1070 0.239,1071 15.249,1072 7.803,1073 11.393,1074 -0.599,1075 14.262,1076 -1.25,1077 8.658,1078 10.381,1079 0.188,1080 17.519,1081 8.736,1082 12.844,1083 -0.889,1084 16.122,1085 -1.379,1086 9.952,1087 12.008,1088 0.156,1089 20.08,1090 10.035,1091 3.355,1092 -1,1093 18.001,1094 -2.127,1095 11.024,1096 13.273,1097 0.125,1098 22.488,1099 11.144,1100 2.663,1101 12.122,1102 19.892,1103 -2.287,1104 12.251,1105 14.801,1106 0.102,1107 25.003,1108 12.385,1109 2.346,1110 8.644,1111 21.795,1112 4.311,1113 13.4,1114 16.165,1115 0.082,1116 27.464,1117 13.565,1118 2.026,1119 6.943,1120 23.708,1121 3.536,1122 14.608,1123 17.65,1124 0.066,1125 29.964,1126 14.791,1127 1.749,1128 6.426,1129 25.627,1130 2.775,1131 15.79,1132 19.062,1133 0.054,1134 32.446,1135 15.999,1136 1.422,1137 4.865,1138 27.553,1139 2.65,1140 16.994,1141 20.53,1142 0.043,1143 34.942,1144 17.223,1145 1.228,1146 2.913,1147 29.484,1148 2.234,1149 18.19,1150 21.965,1151 0.035,1152 37.431,1153 18.442,1154 4165,1155 6567,1156 15.315,1157 26.006,1158 35.362,1159 36.504,1160 36.241,1161 34.123,1162 34.156,1163 44.076,1164 1.6,1165 99.347,1166 34.127,1167 5.525,1168 5.853,1169 6.939,1170 5.409,1171 5.355,1172 7.311,1173 1.2,1174 19.616,1175 5.415,1176 9.648,1177 1.537,1178 1.587,1179 1.576,1180 1.484,1181 1.485,1182 1.916,1183 0.07,1184 4.319,1185 1.484,1186 4.061,1187 4.072,1188 4.032,1189 3.997,1190 7.446,1191 4.003,1192 3.823,1193 3.872,1194 3.745,1195 3.719,1196 7.408,1197 3.719,1198 3.618,1199 3.68,1200 3.463,1201 3.499,1202 4.721,1203 3.48,1204 3.374,1205 3.409,1206 3.279,1207 3.226,1208 4.635,1209 3.235,1210 3.086,1211 3.173,1212 2.973,1213 2.899,1214 4.14,1215 2.877,1216 3.014,1217 3.063,1218 2.868,1219 2.893,1220 3.838,1221 2.875,1222 2.999,1223 3.021,1224 2.849,1225 2.843,1226 3.821,1227 2.858,1228 2.624,1229 2.712,1230 2.491,1231 2.479,1232 3.622,1233 2.469,1234 0.205,1235 0.168,1236 0.308,1237 0.19,1238 0.146,1239 4.707,1240 0.187,1241 3.853,1242 0.035,1243 7.076,1244 0.527,1245 4.374,1246 0.148,1247 3.355,1248 4.311,1249 0.8,1250 12.122,1251 3.415,1252 1.887,1253 1.868,1254 2.01,1255 2.001,1256 1.275,1257 2.004,1258 1.869,1259 1.839,1260 1.986,1261 1.959,1262 1.085,1263 1.968,1264 1.66,1265 1.599,1266 1.89,1267 1.819,1268 1.036,1269 1.848,1270 1.347,1271 1.318,1272 1.552,1273 1.55,1274 0.737,1275 1.537,1276 1.097,1277 1.014,1278 1.354,1279 1.328,1280 0.423,1281 1.354,1282 1.028,1283 0.994,1284 1.292,1285 1.198,1286 0.326,1287 1.226,1288 1.007,1289 0.969,1290 1.133,1291 1.186,1292 0.211,1293 1.168,1294 0.782,1295 0.718,1296 1.076,1297 0.97,1298 0.207,1299 1.011,1300 3.85,1302 5.165,1303 2.398,1304 6.696,1305 4.949,1306 8.325,1307 7.209,1308 10.008,1310 2.151,1315 3.205,1321 2.074,1326 24.665,1327 52.876,1328 124.892,1329 158.666,1330 166.666,1331 166.666,1332 166.666,1333 40.096,1334 6.854,1335 39.07,1336 39.07,1337 17,1338 12.431,1339 3.585,1340 3.17,1341 32.281,1342 65,1343 86,1344 0.249,1345 152.62,1346 279.44,1347 364.153,1348 7537,1350 14.82,1351 0.706,1352 0.572,1353 14.82,1354 12.004,1355 10.22,1356 0.444,1357 0.316,1358 7.214,1359 9.985,1360 7.027,1361 5.875,1362 10.22,1363 7.269,1364 8.831,1365 0.276,1366 0.164,1367 8.831,1368 5.257,1369 7.841,1370 0.174,1371 0.085,1372 7.841,1373 3.82,1374 6.757,1375 0.111,1376 0.043,1377 6.757,1378 2.628,1379 5.403,1380 0.072,1381 0.024,1382 5.403,1383 1.797,1384 0.383,1385 63.084,1386 0.256,1387 20.724,1388 0.701,1389 110,1390 305.116,1391 116.289,1392 298.204,1393 407.28,1394 278,1395 132,1396 297.09,1397 139.149,1398 303.581,1399 449.33,1400 287,1401 6.449}
{0 CHEMBL1305804,1 1.418,2 9.308,3 4.084,4 16.675,5 100.883,6 7.893,7 0.793,8 3.86,9 3.967,10 3.49,11 3.513,12 5.032,13 3.487,14 4.324,15 4.465,16 3.83,17 3.878,18 5.479,19 3.836,20 4.557,21 4.733,22 3.886,23 3.99,24 5.671,25 3.929,26 4.597,27 4.801,28 3.833,29 3.935,30 5.716,31 3.868,32 4.546,33 4.731,34 3.854,35 3.904,36 5.773,37 3.854,38 4.513,39 4.688,40 3.794,41 3.914,42 5.718,43 3.852,44 4.533,45 4.725,46 3.733,47 3.934,48 5.605,49 3.844,50 4.525,51 4.74,52 3.594,53 3.851,54 5.564,55 3.736,56 0.018,57 0.573,58 7.298,59 3.554,60 5.735,61 4.481,62 0.096,63 0.919,64 12.819,65 5.825,66 14.166,67 7.536,68 0.112,69 1.163,70 17.828,71 7.509,72 22.756,73 9.651,74 0.171,75 1.202,76 20.201,77 8.088,78 29.464,79 10.498,80 0.228,81 1.115,82 18.943,83 7.644,84 40.481,85 9.622,86 0.224,87 1.078,88 17.769,89 7.221,90 41.716,91 8.943,92 0.129,93 1.088,94 18.386,95 7.975,96 28.037,97 10.361,98 0.107,99 1.1,100 18.764,101 7.976,102 25.391,103 10.671,104 5,105 40,106 0.242,107 0.54,108 0.712,109 0.855,110 0.874,111 0.874,112 3.305,113 0.868,114 -4.36,115 -4.29,116 -4.05,120 51.2,121 1,143 11,144 4,145 1,146 2,147 2,159 1,174 13,177 7,180 1,182 3,185 16,189 7,194 2,197 13,201 6,204 1,206 1,209 12,213 1,214 5,217 1,219 3,222 15,226 1,227 4,232 3,235 13,240 6,245 2,247 16,252 3,257 2,260 12,263 1,264 3,271 6,274 1044,275 17.861,276 17.861,277 17.861,278 17.861,279 17.861,280 15.046,281 9.945,282 10.746,283 18.019,284 14.37,285 14.37,286 14.37,287 14.37,288 14.37,289 10.191,290 12.162,291 5.164,292 14.609,293 4.008,294 2.254,295 1.246,296 0.407,297 0.297,298 0.297,299 4.006,305 1,306 1,307 1,308 529,309 2.739,313 275.442,317 107.939,320 1.408,321 18.484,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 54.5,333 242,334 4.607,335 3.61,336 6.707,337 4.169,338 3.178,339 4.527,340 1.058,341 10.899,342 3.147,343 4.158,344 3.004,345 6.12,346 3.775,347 2.781,348 3.785,350 8.985,351 2.763,352 3.967,353 2.753,354 5.718,355 3.561,356 2.586,357 3.49,359 7.721,360 2.517,361 3.71,362 2.529,363 5.301,364 3.262,365 2.27,366 3.168,368 6.692,369 2.247,370 3.598,371 2.345,372 5.05,373 3.202,374 2.21,375 3.014,377 6.077,378 2.191,379 3.046,380 1.844,381 4.481,382 2.544,383 1.577,384 2.264,386 4.253,387 1.522,388 3.001,389 1.566,390 4.268,391 2.515,392 1.53,393 2.213,395 3.888,396 1.506,397 2.823,398 1.519,399 3.67,400 2.324,401 1.333,402 1.962,404 2.999,405 1.321,406 2.798,407 1.35,408 3.6,409 2.286,410 1.313,411 1.913,413 2.934,414 1.266,415 2.588,416 1.119,417 3.481,418 2.089,419 1.091,420 1.626,422 2.529,423 1.087,424 2.5,425 1,426 3.422,427 1.984,428 1,429 1.5,431 2.136,432 0.983,433 2.233,434 0.87,435 3.247,436 1.722,437 0.731,438 1.072,440 1.887,441 0.72,442 1.189,443 0.443,444 2.785,445 0.802,446 -0.164,447 -0.212,449 -0.416,450 -0.158,451 1.157,452 -0.13,453 2.614,454 0.676,455 -0.32,456 -0.444,458 -0.778,459 -0.317,460 0.946,461 -0.222,462 2.452,463 0.577,464 -0.424,465 -0.544,467 -0.998,468 -0.423,469 12.533,470 0.482,471 0.554,472 0.021,473 40.25,474 1.548,475 24,476 0.923,477 16.25,478 0.625,479 16.297,480 0.627,481 25.267,482 0.588,483 29.016,484 1.116,485 8.098,486 0.311,487 4.605,488 0.177,489 0.066,491 0.319,496 0.687,497 1.063,498 0.722,499 0.886,500 0.601,501 0.818,502 0.659,503 1.099,504 0.817,505 0.964,506 0.597,507 0.915,508 1.061,509 1.126,510 0.996,511 1.042,512 0.962,513 1.012,514 1.177,515 0.982,516 0.947,517 0.969,518 1.173,519 0.936,520 1.389,521 0.93,522 0.917,523 0.923,524 1.611,525 0.885,526 1.49,527 0.914,528 1.09,529 0.943,530 1.645,531 0.972,532 1.027,533 1.004,534 1.032,535 1.037,536 1.113,537 1.042,538 0.836,539 1.152,540 1.107,541 1.186,542 0.778,543 1.179,544 4.5,545 0.049,546 2.444,547 1.438,548 1.64,549 0.889,550 0.49,551 0.408,552 0.18,553 0.087,554 7703,555 19657,556 2.148,557 39.5,558 3,559 11,561 2,562 1,567 1.697,568 2.053,569 3.216,570 -0.408,572 1,575 60.98,576 1.418,577 3.172,578 4.181,579 5.019,580 5.13,581 5.13,582 2.687,583 4.027,584 4.671,585 3.351,586 1089.15,587 8.129,588 13331.7,590 1,592 1,593 233.329,594 1.239,595 4.65,596 0.155,597 0.004,598 0.061,599 0.035,600 0.043,601 0.023,602 0.013,603 0.012,604 0.006,605 0.005,606 0.358,607 0.5,608 1,609 0.465,610 125.237,611 -0.025,612 -0.052,613 0.043,614 0.012,615 -0.07,616 0.031,617 0.113,618 -0.088,619 0.016,620 -0.048,621 0.049,622 -0.032,623 -0.091,624 -0.116,625 -0.086,626 -0.107,627 -0.065,628 -0.096,629 -0.01,630 0.017,631 0.038,632 -0.007,633 0.007,634 0.018,635 0.067,636 0.051,637 0.066,638 0.038,639 0.061,640 0.048,641 -0.117,642 0.076,643 -0.142,644 0.005,645 -0.093,646 -0.057,647 -0.096,648 -0.064,649 -0.088,650 -0.054,651 -0.086,652 -0.07,653 -0.041,654 -0.199,655 -0.138,656 -0.2,657 -0.002,658 -0.184,659 1.83,660 5.919,661 0.846,662 21.87,663 0.996,664 1.107,665 3.125,666 9.768,667 0.716,668 3.401,669 3.714,670 3.989,671 4.277,672 4.554,673 4.595,674 4.779,675 4.905,676 5.004,677 5.004,678 5.715,679 0.685,680 339.42,681 3.401,682 4.934,683 5.784,684 6.661,685 7.53,686 8.415,687 9.294,688 10.183,689 11.069,690 11.961,691 7,698 1,701 2,708 2,709 13,710 2,714 5,716 23,723 1,738 43,739 24,740 2,741 29,743 46,744 22,745 20,746 4,747 8,748 1,752 4,753 5,759 1,768 21,769 1,772 1,778 1,782 1,786 1,789 17,790 4,791 1,792 4,797 3,803 0.75,804 1,816 2,823 4,827 1,855 3,859 1,862 26,871 1,886 2.3,889 1,893 12.667,894 8.15,895 5.694,896 2.511,898 4.137,899 1.556,900 1.033,901 4.265,902 11.572,903 3.75,904 4.388,905 5.017,906 5.653,907 6.279,908 6.563,909 7.072,910 7.527,911 7.959,912 8.221,913 1,914 41,915 9.577,917 4.074,918 7.686,919 18.261,921 14.908,924 2.186,925 56.833,928 1,929 188.338,930 155.651,931 51.582,933 25.145,936 155.651,937 213.483,938 51.582,939 8.825,940 18.011,941 104.239,942 86.963,943 37.882,945 164.795,947 188.338,948 207.233,949 25.145,952 188.338,953 25.145,956 49.832,957 123.83,958 33.571,960 188.338,961 76.727,962 155.651,965 188.338,966 24.492,967 131.159,968 18.011,969 58.716,970 188.338,971 76.727,972 155.651,973 0.576,974 0.334,975 0.189,976 0.109,977 20,978 8,979 0.065,980 3,981 1,982 1.091,983 3.79,984 225.964,985 0.091,986 22,987 116.211,993 16.136,994 6.873,995 3.399,996 1.627,997 76.727,998 24.507,999 8.723,1003 4.244,1005 18.011,1006 420.715,1007 41.5,1013 12.919,1017 -0.163,1020 42.818,1021 47.611,1022 0.261,1023 0.585,1024 0.77,1025 0.925,1026 0.945,1027 0.945,1028 4.954,1029 1.333,1030 5.753,1031 3.888,1032 4.394,1033 5.075,1034 1.176,1035 6.55,1036 4.365,1037 6.171,1038 1.313,1039 7.295,1040 2.999,1041 3.892,1042 4.796,1044 7.402,1045 3.865,1046 7.474,1047 1.091,1048 8.94,1049 2.934,1050 5.964,1051 7.323,1052 1.255,1053 10.534,1054 5.908,1055 8.816,1056 1,1057 10.647,1058 2.529,1059 6.293,1060 7.889,1062 12.247,1063 6.243,1064 10.189,1065 0.731,1066 12.396,1067 2.136,1068 7.819,1069 9.859,1070 1.338,1071 14.885,1072 7.743,1073 11.586,1074 -0.164,1075 14.174,1076 1.887,1077 8.555,1078 10.864,1080 16.966,1081 8.482,1082 13.002,1083 -0.32,1084 15.972,1085 -0.416,1086 9.844,1087 12.575,1088 1.422,1089 19.431,1090 9.752,1091 3.178,1092 -0.424,1093 17.788,1094 -0.778,1095 10.785,1096 13.818,1098 21.676,1099 10.69,1100 2.781,1101 10.899,1102 19.615,1103 -0.998,1104 11.974,1105 15.408,1106 1.51,1107 24.081,1108 11.865,1109 2.586,1110 8.985,1111 21.453,1112 4.527,1113 13.015,1114 16.777,1116 26.399,1117 12.901,1118 2.27,1119 7.721,1120 23.3,1121 3.785,1122 14.167,1123 18.313,1124 1.599,1125 28.785,1126 14.041,1127 2.21,1128 6.692,1129 25.153,1130 3.49,1131 15.258,1132 19.749,1134 31.137,1135 15.125,1136 1.577,1137 6.077,1138 27.013,1139 3.168,1140 16.398,1141 21.263,1142 1.69,1143 33.518,1144 16.255,1145 1.53,1146 4.253,1147 28.878,1148 3.014,1149 17.516,1150 22.733,1152 35.887,1153 17.364,1154 7278,1155 11757,1156 19.879,1157 30.801,1158 43.715,1159 44.426,1160 43.977,1161 43.196,1162 43.199,1163 61.066,1164 2.117,1165 121.999,1166 42.543,1167 5.436,1168 5.61,1169 6.509,1170 5.21,1171 5.178,1172 7.527,1173 2.117,1174 18.082,1175 5.147,1176 8.949,1177 1.507,1178 1.532,1179 1.516,1180 1.49,1181 1.49,1182 2.106,1183 0.073,1184 4.207,1185 1.467,1186 4.11,1187 4.133,1188 4.078,1189 4.045,1190 7.429,1191 4.05,1192 3.883,1193 3.914,1194 3.82,1195 3.832,1196 4.989,1197 3.825,1198 3.857,1199 3.899,1200 3.797,1201 3.74,1202 4.902,1203 3.749,1204 3.493,1205 3.526,1206 3.426,1207 3.391,1208 4.707,1209 3.392,1210 3.269,1211 3.321,1212 3.205,1213 3.084,1214 4.326,1215 3.099,1216 3.116,1217 3.195,1218 2.932,1219 2.946,1220 4.057,1221 2.941,1222 2.913,1223 2.979,1224 2.808,1225 2.745,1226 3.875,1227 2.752,1228 2.854,1229 2.925,1230 2.696,1231 2.735,1232 3.846,1233 2.715,1234 0.159,1235 0.124,1236 0.231,1237 0.144,1238 0.11,1239 4.607,1240 0.156,1241 3.61,1242 0.036,1243 6.707,1244 0.376,1245 4.169,1246 0.109,1247 3.178,1248 4.527,1249 1.058,1250 10.899,1251 3.147,1252 2.066,1253 2.046,1254 2.133,1255 2.145,1256 1.259,1257 2.142,1258 1.891,1259 1.865,1260 2.012,1261 1.975,1262 1.118,1263 1.985,1264 1.818,1265 1.778,1266 1.93,1267 1.952,1268 0.947,1269 1.954,1270 1.472,1271 1.44,1272 1.626,1273 1.609,1274 0.705,1275 1.611,1276 1.22,1277 1.162,1278 1.513,1279 1.443,1280 0.57,1281 1.461,1282 1.092,1283 1.034,1284 1.252,1285 1.33,1286 0.281,1287 1.323,1288 0.887,1289 0.825,1290 1.181,1291 1.091,1292 0.218,1293 1.112,1294 0.886,1295 0.821,1296 1.131,1297 1.062,1298 0.172,1299 1.107,1300 4.078,1302 5.389,1304 6.909,1306 8.523,1308 10.186,1310 2.043,1317 2.934,1326 29.467,1327 60.98,1328 136.415,1329 179.766,1330 215.82,1331 220.574,1332 220.574,1333 35.755,1334 7.435,1335 54.88,1336 54.88,1337 24,1338 12.49,1339 4.644,1340 3.755,1341 37.741,1342 86,1343 94,1344 0.21,1345 181.479,1346 306.23,1347 434.568,1348 16547,1350 17.933,1351 0.69,1352 0.55,1353 17.933,1354 14.308,1355 12.704,1356 0.438,1357 0.289,1358 8.325,1359 12.434,1360 8.087,1361 6.756,1362 12.704,1363 8.388,1364 11.353,1365 0.284,1366 0.153,1367 11.353,1368 6.132,1369 9.503,1370 0.179,1371 0.079,1372 9.503,1373 4.213,1374 8.174,1375 0.115,1376 0.042,1377 8.174,1378 2.949,1379 6.951,1380 0.074,1381 0.022,1382 6.951,1383 2.041,1384 0.32,1385 78.115,1386 0.224,1387 24.74,1388 0.604,1389 138,1390 369.359,1391 145.71,1392 370.794,1393 517.09,1394 348,1395 162,1396 387.819,1397 169.655,1398 399.803,1399 581.37,1400 377,1401 4.366}
{0 CHEMBL1305809,1 1.472,2 10.71,3 4.818,4 23.216,5 131.572,6 7.756,7 0.676,8 4.09,9 4.205,10 3.699,11 3.711,12 5.221,13 3.667,14 4.557,15 4.712,16 4.063,17 4.076,18 5.619,19 4.016,20 4.803,21 4.992,22 4.174,23 4.228,24 5.84,25 4.142,26 4.9,27 5.088,28 4.297,29 4.312,30 6.021,31 4.206,32 4.965,33 5.139,34 4.317,35 4.392,36 6.09,37 4.267,38 5.075,39 5.294,40 4.289,41 4.401,42 6.123,43 4.266,44 5.024,45 5.241,46 4.127,47 4.343,48 6.048,49 4.211,50 4.99,51 5.22,52 4.036,53 4.305,54 5.962,55 4.158,56 0.053,57 0.738,58 10.501,59 4.759,60 10.883,61 6.184,62 0.093,63 1.203,64 18.655,65 7.761,66 14.668,67 10.355,68 0.287,69 1.563,70 27.066,71 10.099,72 24.313,73 13.115,74 0.317,75 1.651,76 31.148,77 12.23,78 42.204,79 15.327,80 0.299,81 1.787,82 36.835,83 13.997,84 50.727,85 16.224,86 0.351,87 1.984,88 42.672,89 15.664,90 58.02,91 19.142,92 0.316,93 1.861,94 38.456,95 14.355,96 53.573,97 17.8,98 0.262,99 1.77,100 35.888,101 14.1,102 48.129,103 18.209,104 17,105 47,106 0.239,107 0.517,108 0.63,109 0.746,110 0.816,111 0.834,112 3.473,113 0.932,114 -4.72,115 -4.63,116 -4.35,120 47.3,121 2,139 2,143 14,144 1,145 2,146 2,153 2,159 1,174 11,177 6,182 3,185 11,187 2,189 2,194 3,196 2,197 6,199 2,201 1,204 1,205 1,206 3,209 9,211 1,216 1,219 6,222 10,224 3,230 1,232 7,235 9,237 3,240 2,245 5,247 11,249 3,252 3,257 4,260 14,262 2,264 2,269 2,271 14,273 1,274 1708,275 21.087,276 21.087,277 21.087,278 21.087,279 21.087,280 17.842,281 20.054,282 12.667,283 21.447,284 16.78,285 16.78,286 16.78,287 16.78,288 16.78,289 12.111,290 21.393,291 6.018,292 17.431,293 4.309,294 2.597,295 1.899,296 1.185,297 0.755,298 0.646,299 4.165,307 1,308 717,309 3.674,312 94.718,313 345.082,320 1.525,321 17.162,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 64.5,333 332,334 4.684,335 3.857,336 6.992,337 4.269,338 3.314,339 4.412,340 1.131,341 11.795,342 3.165,343 4.41,344 3.405,345 6.706,346 3.982,347 3.048,348 3.974,350 10.765,351 2.842,352 3.921,353 2.945,354 5.943,355 3.516,356 2.551,357 3.458,359 8.142,360 2.462,361 3.844,362 2.564,363 5.435,364 3.422,365 2.454,366 3.378,368 7.187,369 2.375,370 3.592,371 2.531,372 5.101,373 3.081,374 2.12,375 3.048,377 5.849,378 2.033,379 3.36,380 2.218,381 4.968,382 2.917,383 1.965,384 2.6,386 5.431,387 1.863,388 3.038,389 1.999,390 4.769,391 2.629,392 1.663,393 2.199,395 4.584,396 1.601,397 2.957,398 1.614,399 4.239,400 2.5,401 1.519,402 2.136,404 3.517,405 1.487,406 2.816,407 1.529,408 3.706,409 2.317,410 1.346,411 1.922,413 3.008,414 1.301,415 2.768,416 1.464,417 3.557,418 2.29,419 1.328,420 1.854,422 2.911,423 1.265,424 2.5,425 1.026,426 3.538,427 2,428 1,429 1.5,431 2.417,432 1,433 2.5,434 1,435 3.247,436 2,437 1,438 1.5,440 2.136,441 1,442 2.5,443 1,444 3.247,445 1.984,446 1,447 1.5,449 2.136,450 0.983,451 2.401,452 1,453 3.247,454 1.836,455 0.882,456 1.296,458 2.136,459 0.836,460 1.37,461 0.692,462 3.149,463 1.082,464 0.149,465 0.174,467 0.405,468 0.138,469 15.367,470 0.496,471 0.699,472 0.023,473 43.75,474 1.411,475 24.5,476 0.79,477 19.25,478 0.621,479 25.397,480 0.819,481 31.133,482 0.566,483 35.096,484 1.132,485 9.036,486 0.291,487 6.022,488 0.194,489 0.141,491 0.312,496 1.029,497 1.139,498 0.698,499 0.837,500 0.959,501 0.852,502 0.849,503 1.264,504 0.721,505 0.947,506 0.618,507 0.923,508 1.148,509 0.993,510 0.933,511 0.907,512 0.889,513 0.916,514 1.127,515 1.042,516 0.917,517 0.985,518 1.061,519 0.961,520 1.663,521 1.109,522 1.384,523 1.198,524 1.84,525 1.075,526 1.399,527 1.01,528 1.181,529 1.063,530 1.458,531 0.951,532 1.501,533 1.009,534 1.216,535 1.066,536 1.459,537 1.03,538 1.122,539 0.979,540 1.056,541 1.004,542 1.121,543 1.026,544 4.5,545 0.107,546 3.111,547 3.229,548 1.913,549 1.244,550 1.035,551 0.527,552 0.377,553 0.211,554 11953,555 28947,556 2.084,557 43.6,559 14,561 2,562 2,563 6,567 1.745,568 1.958,569 3.366,570 0.129,575 80.969,576 1.472,577 3.185,578 3.882,579 4.597,580 5.027,581 5.136,582 2.837,583 4.503,584 4.924,585 3.517,586 1635.21,587 8.648,588 22667.7,590 1,593 317.975,594 1.383,595 4.888,596 0.132,597 0.004,598 0.066,599 0.065,600 0.037,601 0.023,602 0.02,603 0.011,604 0.009,605 0.006,606 0.374,607 0.17,608 1,609 0.541,610 158.393,611 -0.057,612 -0.101,613 0.023,614 0.002,615 -0.156,616 0.019,617 0.054,618 -0.224,619 0.071,620 -0.08,621 0.029,622 -0.025,623 0.041,624 0.086,625 -0.009,626 0.006,627 -0.004,628 -0.009,629 0.182,630 -0.021,631 0.102,632 0.001,633 0.245,634 -0.019,635 -0.16,636 -0.064,637 -0.152,638 -0.092,639 -0.183,640 -0.124,641 -0.052,642 0.008,643 -0.007,644 0.009,645 -0.031,646 0.03,647 -0.194,648 0.001,649 -0.162,650 -0.062,651 -0.131,652 -0.066,653 -0.117,654 -0.009,655 -0.086,656 -0.028,657 -0.084,658 -0.041,659 1.542,660 5.466,661 0.742,662 29.655,663 0.991,664 1.109,665 3.487,666 12.161,667 0.711,668 3.555,669 3.871,670 4.174,671 4.466,672 4.625,673 4.644,674 4.787,675 4.89,676 4.89,677 4.927,678 6.374,679 0.664,680 426.6,681 3.555,682 5.094,683 5.953,684 6.838,685 7.716,686 8.612,687 9.5,688 10.402,689 11.296,690 12.202,691 5.5,698 1,699 1,701 1,709 16,714 5,715 2,716 23,738 55,739 25,740 2,741 34,743 58,744 26,745 21,746 2,747 10,748 3,752 4,753 4,759 2,768 24,769 2,772 2,779 1,782 3,789 24,790 2,791 2,792 5,793 1,797 3,798 1,803 1,804 1,816 1,818 1,822 1,823 3,845 2,853 1,855 4,857 1,859 2,862 31,868 1,871 1,886 1.8,888 1,893 15.833,894 10.4,895 6.889,896 3.179,898 3.487,899 1.475,900 0.995,901 6.421,902 10.835,903 3.882,904 4.497,905 5.104,906 5.705,907 6.177,908 6.383,909 6.844,910 7.263,911 7.557,912 7.916,913 1,914 50,915 11.411,917 4.771,918 7.613,919 21.902,921 17.673,924 2.113,925 65.5,929 258.964,930 231.287,931 21.809,933 42.683,935 45.192,936 186.095,937 301.648,938 21.809,939 17.65,940 18.011,941 132.667,942 71.595,943 28.693,944 5.513,945 235.422,946 45.192,947 258.964,948 207.904,949 42.683,950 45.192,952 258.964,953 42.683,956 55.655,957 147.593,958 4.656,959 45.192,960 258.964,961 64.492,962 231.287,965 258.964,966 17.683,967 172.211,968 18.011,969 87.875,970 258.964,971 64.492,972 231.287,973 0.576,974 0.347,975 0.201,976 0.105,977 22,978 10,979 0.086,980 5,982 1,983 4.1,984 288.362,986 23,987 137.58,990 1,993 21.19,994 9.394,995 4.515,997 60.694,998 31.329,1003 4.631,1004 3.967,1005 60.694,1006 554.744,1007 47.5,1014 5.735,1017 1.081,1020 54.487,1021 60.984,1022 0.255,1023 0.551,1024 0.671,1025 0.795,1026 0.869,1027 0.888,1028 5.098,1029 1.519,1030 5.932,1031 4.584,1032 4.554,1033 5.185,1034 1.27,1035 6.77,1036 4.473,1037 6.316,1038 1.346,1039 7.505,1040 3.517,1041 4.111,1042 4.879,1044 7.751,1045 3.938,1046 7.626,1047 1.328,1048 9.188,1049 3.008,1050 6.155,1051 7.387,1052 1.453,1053 10.924,1054 5.978,1055 8.977,1056 1,1057 10.94,1058 2.911,1059 6.594,1060 7.947,1062 12.795,1063 6.32,1064 10.364,1065 1,1066 12.736,1067 2.417,1068 8.09,1069 9.884,1070 1.648,1071 15.485,1072 7.807,1073 11.779,1074 1,1075 14.564,1076 2.136,1077 8.936,1078 10.875,1080 17.698,1081 8.564,1082 13.215,1083 0.882,1084 16.415,1085 2.136,1086 10.221,1087 12.555,1088 1.851,1089 20.229,1090 9.827,1091 3.314,1092 0.149,1093 18.283,1094 2.136,1095 11.252,1096 13.771,1098 22.579,1099 10.783,1100 3.048,1101 11.795,1102 20.163,1103 0.405,1104 12.46,1105 15.33,1106 2.063,1107 25.055,1108 11.956,1109 2.551,1110 10.765,1111 22.054,1112 4.412,1113 13.572,1114 16.666,1116 27.461,1117 13.006,1118 2.454,1119 8.142,1120 23.952,1121 3.974,1122 14.754,1123 18.171,1124 2.282,1125 29.919,1126 14.148,1127 2.12,1128 7.187,1129 25.857,1130 3.458,1131 15.903,1132 19.57,1134 32.349,1135 15.242,1136 1.965,1137 5.849,1138 27.766,1139 3.378,1140 17.08,1141 21.052,1142 2.506,1143 34.801,1144 16.376,1145 1.663,1146 5.431,1147 29.68,1148 3.048,1149 18.246,1150 22.485,1152 37.244,1153 17.492,1154 11395,1155 17878,1156 22.77,1157 39.114,1158 51.467,1159 52.31,1160 52.744,1161 50.797,1162 50.683,1163 69.904,1164 2.263,1165 144.84,1166 48.7,1167 5.549,1168 5.857,1169 6.794,1170 5.304,1171 5.314,1172 7.412,1173 2.263,1174 19.519,1175 5.165,1176 13.687,1177 1.514,1178 1.539,1179 1.551,1180 1.494,1181 1.491,1182 2.056,1183 0.067,1184 4.26,1185 1.432,1186 4.1,1187 4.135,1188 4.102,1189 3.997,1190 6.467,1191 4.006,1192 3.945,1193 3.988,1194 3.959,1195 3.848,1196 4.932,1197 3.846,1198 3.877,1199 3.915,1200 3.812,1201 3.792,1202 4.836,1203 3.792,1204 3.766,1205 3.8,1206 3.71,1207 3.698,1208 4.766,1209 3.693,1210 3.47,1211 3.494,1212 3.673,1213 3.44,1214 4.642,1215 3.388,1216 3.199,1217 3.291,1218 3.149,1219 3.043,1220 4.572,1221 3.011,1222 3.071,1223 3.131,1224 2.941,1225 2.907,1226 3.871,1227 2.892,1228 2.858,1229 2.96,1230 2.79,1231 2.735,1232 3.796,1233 2.715,1234 0.138,1235 0.113,1236 0.206,1237 0.126,1238 0.097,1239 4.684,1240 0.13,1241 3.857,1242 0.033,1243 6.992,1244 0.347,1245 4.269,1246 0.093,1247 3.314,1248 4.412,1249 1.131,1250 11.795,1251 3.165,1252 1.93,1253 1.897,1254 2.032,1255 2.066,1256 1.13,1257 2.057,1258 1.912,1259 1.878,1260 2.022,1261 2.023,1262 1.096,1263 2.026,1264 1.872,1265 1.837,1266 1.996,1267 1.974,1268 1.051,1269 1.985,1270 1.655,1271 1.632,1272 1.792,1273 1.751,1274 0.921,1275 1.765,1276 1.543,1277 1.485,1278 1.757,1279 1.715,1280 0.856,1281 1.733,1282 1.351,1283 1.321,1284 1.483,1285 1.492,1286 0.594,1287 1.517,1288 1.007,1289 0.94,1290 1.249,1291 1.257,1292 0.324,1293 1.267,1294 0.886,1295 0.821,1296 1.181,1297 1.099,1298 0.254,1299 1.129,1300 4.234,1302 5.549,1303 2.398,1304 7.067,1305 4.844,1306 8.674,1307 7.018,1308 10.327,1310 4.041,1314 11.466,1317 3.25,1326 36.497,1327 80.969,1328 175.162,1329 213.511,1330 252.814,1331 276.465,1332 282.465,1333 48.081,1334 7.348,1335 41.07,1336 73.16,1337 23,1338 12.723,1339 4.7,1340 3.858,1341 48.988,1342 114,1343 124,1344 0.203,1345 229.515,1346 392.62,1347 551.777,1348 13710,1350 21.794,1351 0.703,1352 0.592,1353 22.294,1354 18.357,1355 15.059,1356 0.443,1357 0.311,1358 10.112,1359 14.488,1360 9.759,1361 8.182,1362 15.347,1363 10.566,1364 13.263,1365 0.282,1366 0.165,1367 13.634,1368 7.774,1369 11.341,1370 0.177,1371 0.087,1372 11.652,1373 5.565,1374 10.034,1375 0.117,1376 0.048,1377 10.488,1378 4.139,1379 7.513,1380 0.074,1381 0.026,1382 7.798,1383 2.591,1384 0.31,1385 95.299,1386 0.21,1387 28.673,1388 0.582,1389 162,1390 391.321,1391 185.021,1392 418.862,1393 584.06,1394 392,1395 192,1396 433.698,1397 213.201,1398 453.139,1399 661.55,1400 428,1401 5.597}
{0 CHEMBL1306300,1 1.765,2 12.378,3 4.135,4 17.1,5 138.171,6 8.929,7 0.45,8 4.235,9 4.295,10 4.152,11 3.82,12 5.39,13 3.788,14 4.76,15 4.866,16 4.435,17 4.167,18 6.191,19 4.148,20 4.915,21 5.002,22 4.597,23 4.322,24 6.312,25 4.294,26 5.084,27 5.208,28 4.587,29 4.309,30 6.486,31 4.287,32 5.086,33 5.236,34 4.585,35 4.297,36 6.453,37 4.244,38 5.008,39 5.143,40 4.612,41 4.289,42 6.346,43 4.232,44 5.086,45 5.229,46 4.555,47 4.259,48 6.684,49 4.237,50 4.954,51 5.074,52 4.463,53 4.283,54 6.374,55 4.233,56 0.24,57 0.87,58 13.95,59 6.757,60 27.709,61 6.298,62 0.867,63 1.328,64 24.211,65 10.431,66 103.684,67 10.273,68 0.834,69 1.599,70 29.698,71 12.888,72 58.902,73 12.237,74 1.241,75 1.793,76 37.071,77 13.892,78 126.811,79 13.148,80 1.51,81 1.801,82 41.979,83 14.489,84 136.238,85 14.007,86 1.057,87 1.774,88 43.368,89 14.747,90 110.486,91 13.92,92 1.725,93 1.769,94 41.872,95 13.568,96 259.991,97 12.424,98 1.032,99 1.647,100 36.816,101 13.535,102 92.737,103 12.494,104 74,105 59,106 0.28,107 0.572,108 0.698,109 0.786,110 0.811,111 0.823,112 3.643,113 1.033,114 -3.75,115 -3.71,116 -3.53,120 41,121 1,125 3,136 1,139 1,143 10,144 2,145 6,159 1,170 1,174 10,176 3,177 4,180 2,185 10,188 4,189 19,192 1,194 2,197 7,200 4,201 15,206 2,209 3,213 5,214 11,217 3,219 1,222 4,226 3,227 13,230 2,232 4,235 5,239 7,240 7,245 3,247 8,251 3,252 16,257 1,260 9,263 1,264 13,269 1,271 13,274 2833,275 24.493,276 24.493,277 24.493,278 24.493,279 24.493,280 21.362,281 25.805,282 13.825,283 25.571,284 19.477,285 19.477,286 19.477,287 19.477,288 19.477,289 14.441,290 25.752,291 6.213,292 21.009,293 4.166,294 2.325,295 1.533,296 0.976,297 0.82,298 0.742,299 4.329,307 1,308 970,309 4.69,313 448.576,317 184.038,320 1.578,321 66.905,324 0.75,325 0.67,326 0.83,327 0.5,329 0.67,330 1,331 0.63,332 83,333 458,334 5.006,335 5.361,336 7.726,337 4.43,338 3.56,339 4.87,340 2.95,341 13.932,342 3.105,343 4.853,344 4.683,345 7.299,346 4.304,347 3.385,348 4.709,349 1.23,350 12.438,351 3.062,352 4.406,353 3.48,354 6.546,355 3.981,356 3.036,357 4.067,358 0.86,359 10.334,360 2.845,361 4.168,362 3.155,363 6.129,364 3.735,365 2.796,366 3.768,367 0.86,368 8.97,369 2.617,370 3.932,371 3.112,372 5.988,373 3.478,374 2.511,375 3.47,376 0.86,377 8.107,378 2.435,379 3.745,380 2.66,381 5.185,382 3.252,383 2.3,384 3.135,386 6.255,387 2.16,388 3.393,389 2.46,390 5.145,391 2.991,392 2.037,393 2.645,395 6.149,396 1.931,397 3.136,398 2.292,399 4.896,400 2.663,401 1.698,402 2.366,404 5.093,405 1.631,406 3.088,407 2.189,408 4.806,409 2.584,410 1.636,411 2.29,413 4.848,414 1.543,415 2.919,416 1.811,417 4.361,418 2.519,419 1.596,420 2.057,422 4.078,423 1.46,424 2.878,425 1.636,426 4.23,427 2.389,428 1.412,429 2.032,431 3.656,432 1.376,433 2.688,434 1.326,435 3.824,436 2.039,437 1.092,438 1.574,440 2.811,441 1.025,442 2.5,443 1.151,444 3.414,445 2,446 1,447 1.5,449 2.275,450 1,451 1.94,452 1.064,453 3.411,454 1.684,455 0.756,456 0.856,458 1.72,459 0.693,460 1.876,461 1,462 3.166,463 1.543,464 0.645,465 0.768,467 1.179,468 0.573,469 17.633,470 0.477,471 1.158,472 0.031,473 52.25,474 1.412,475 29,476 0.784,477 23.25,478 0.628,479 31.126,480 0.841,481 40.567,482 0.665,483 50.164,484 1.356,485 10.516,486 0.284,487 7.084,488 0.191,489 0.189,490 0.095,491 0.284,496 0.631,497 1.211,498 0.811,499 1.302,500 0.696,501 0.944,502 0.969,503 0.855,504 0.789,505 0.796,506 0.674,507 0.707,508 0.898,509 1.279,510 1.067,511 1.262,512 0.882,513 1.035,514 1.25,515 1.22,516 1.039,517 1.103,518 1.319,519 1.031,520 1.096,521 0.982,522 0.926,523 0.85,524 1.096,525 0.88,526 0.904,527 1.309,528 1.272,529 1.394,530 1.154,531 1.047,532 1.34,533 0.824,534 1.103,535 0.81,536 1.589,537 0.767,538 1.099,539 1.059,540 1.369,541 1.212,542 1.271,543 1.015,544 10,545 0.392,546 6.444,547 3.375,548 3.093,549 2.181,550 1.2,551 1.009,552 0.735,553 0.435,554 18578,555 61289,556 1.994,557 39.3,558 3,559 20,562 1,567 1.788,568 1.82,569 3.539,570 -0.284,575 107.639,576 1.765,577 3.606,578 4.398,579 4.955,580 5.11,581 5.188,582 2.944,583 4.865,584 5.18,585 3.716,586 2475,587 9.158,588 39233,593 361.775,594 1.731,595 5.103,596 0.25,597 0.009,598 0.109,599 0.05,600 0.049,601 0.036,602 0.02,603 0.017,604 0.012,605 0.008,606 0.56,607 0.33,608 0.75,609 0.912,610 200.699,611 0.068,612 -0.061,613 0.236,614 -0.113,615 -0.164,616 0.008,617 0.05,618 0.188,619 0.143,620 0.211,621 0.193,622 0.216,623 0.064,624 -0.195,625 -0.031,626 -0.158,627 0.05,628 -0.106,629 -0.098,630 -0.189,631 -0.051,632 -0.115,633 -0.095,634 -0.121,635 0.044,636 0.051,637 0.104,638 0.136,640 0.053,641 0.074,642 -0.189,643 0.018,644 -0.186,645 -0.024,646 -0.064,647 -0.04,648 0.229,649 -0.02,650 0.189,651 0.105,652 0.135,653 -0.082,654 0.042,655 -0.219,656 -0.079,657 -0.032,658 -0.068,659 5.172,660 6.554,661 0.595,662 38.459,663 1.028,664 1.116,665 2.517,666 6.336,667 0.694,668 3.714,669 4.094,670 4.382,671 4.605,672 4.875,673 5.011,674 5.147,675 5.198,676 5.308,677 5.371,678 7.3,679 0.671,680 544.65,681 3.714,682 5.293,683 6.163,684 7.069,685 7.96,686 8.87,687 9.769,688 10.682,689 11.586,690 12.5,691 3.3,693 1,700 1,709 10,714 8,716 18,735 4,738 61,739 24,740 3,741 40,743 64,744 25,745 18,746 8,747 10,748 3,752 4,753 5,759 1,768 21,769 4,772 6,776 2,778 4,780 1,781 1,782 2,789 24,790 10,791 1,792 12,793 2,797 2,803 0.75,804 8,823 4,827 1,845 2,855 3,857 2,859 4,862 37,865 1,866 1,871 1,872 4,886 13.1,889 4,891 4,893 20.333,894 12.283,895 8.153,896 3.142,898 4.106,899 1.507,900 0.98,901 7.735,902 12.201,903 4.025,904 4.705,905 5.259,906 5.775,907 6.335,908 6.652,909 7.001,910 7.225,911 7.622,912 7.907,913 1,914 67,915 14.473,917 6.999,918 8.095,919 25.301,921 20.704,924 2.595,925 96,929 270.735,930 194.378,931 32.945,933 132.625,935 11.853,936 182.525,937 403.361,938 32.945,939 41.474,941 132.375,942 94.991,943 91.109,945 270.735,947 270.735,948 215.47,949 132.625,950 11.853,952 270.735,953 132.625,956 41.771,957 162.673,958 22.88,960 270.735,961 165.571,962 194.378,964 11.853,965 270.735,966 36.812,967 145.713,968 16.282,969 149.288,970 270.735,971 165.571,972 194.378,973 0.594,974 0.361,975 0.183,976 0.102,977 28,978 14,979 0.125,980 8,981 1,982 1.091,983 4.39,984 371.857,985 0.091,986 22,987 184.75,992 2,993 26.857,994 10.656,995 5.417,997 165.571,998 15.141,1003 2.138,1005 16.282,1006 630.684,1007 55,1011 -8.405,1013 53.13,1015 1.361,1016 3.876,1017 -0.797,1020 62.694,1021 68.079,1022 0.298,1023 0.608,1024 0.741,1025 0.835,1026 0.862,1027 0.875,1028 5.296,1029 1.698,1030 6.221,1031 6.149,1032 4.779,1033 5.394,1034 3.253,1035 7.14,1036 4.632,1037 6.579,1038 1.636,1039 7.867,1040 5.093,1041 4.691,1042 5.624,1044 8.522,1045 4.407,1046 7.971,1047 1.596,1048 9.631,1049 4.848,1050 6.55,1051 7.8,1052 5.077,1053 11.577,1054 6.219,1055 9.408,1056 1.412,1057 11.468,1058 4.078,1059 7.259,1060 8.819,1062 13.753,1063 6.757,1064 10.88,1065 1.092,1066 13.352,1067 3.656,1068 8.674,1069 10.564,1070 7.192,1071 16.457,1072 8.117,1073 12.377,1074 1,1075 15.268,1076 2.811,1077 9.7,1078 11.897,1080 18.905,1081 8.972,1082 13.893,1083 0.756,1084 17.208,1085 2.275,1086 10.98,1087 13.509,1088 9.349,1089 21.526,1090 10.172,1091 3.56,1092 0.645,1093 19.166,1094 1.72,1095 12.132,1096 14.97,1098 24.072,1099 11.165,1100 3.385,1101 13.932,1102 21.137,1103 1.179,1104 13.374,1105 16.542,1106 11.511,1107 26.677,1108 12.305,1109 3.036,1110 12.438,1111 23.12,1112 4.87,1113 14.577,1114 18.058,1116 29.261,1117 13.36,1118 2.796,1119 10.334,1120 25.11,1121 4.709,1122 15.812,1123 19.619,1124 13.675,1125 31.867,1126 14.479,1127 2.511,1128 8.97,1129 27.108,1130 4.067,1131 17.038,1132 21.161,1134 34.469,1135 15.564,1136 2.3,1137 8.107,1138 29.112,1139 3.768,1140 18.276,1141 22.721,1142 15.838,1143 37.08,1144 16.676,1145 2.037,1146 6.255,1147 31.12,1148 3.47,1149 19.513,1150 24.275,1152 39.69,1153 17.776,1154 18105,1155 33180,1156 25.542,1157 42.318,1158 60.363,1159 63.789,1160 63.894,1161 60.325,1162 60.361,1163 81.826,1164 13.521,1165 185.912,1166 56.162,1167 5.918,1168 7.361,1169 7.317,1170 5.565,1171 5.56,1172 7.87,1173 5.9,1174 22.239,1175 5.105,1176 23.049,1177 1.509,1178 1.595,1179 1.597,1180 1.508,1181 1.509,1182 2.046,1183 0.338,1184 4.648,1185 1.404,1186 4.15,1187 4.124,1188 4.763,1189 4.152,1190 7.72,1191 4.067,1192 4.049,1193 4.02,1194 4.723,1195 4.041,1196 7.712,1197 3.954,1198 3.914,1199 3.927,1200 3.899,1201 3.847,1202 6.999,1203 3.846,1204 3.708,1205 3.707,1206 3.763,1207 3.643,1208 6.999,1209 3.594,1210 3.659,1211 3.631,1212 3.725,1213 3.549,1214 5.006,1215 3.49,1216 3.308,1217 3.336,1218 3.325,1219 3.143,1220 4.913,1221 3.133,1222 3.247,1223 3.314,1224 3.086,1225 2.976,1226 4.703,1227 2.991,1228 3.242,1229 3.303,1230 3.051,1231 2.954,1232 4.677,1233 2.962,1234 0.125,1235 0.134,1236 0.193,1237 0.111,1238 0.089,1239 5.006,1240 0.122,1241 5.361,1242 0.074,1243 7.726,1244 0.348,1245 4.43,1246 0.078,1247 3.56,1248 4.87,1249 2.95,1250 13.932,1251 3.105,1252 2.024,1253 2.042,1254 2.035,1255 2.086,1256 1.259,1257 2.112,1258 1.941,1259 1.956,1260 1.994,1261 2.022,1262 1.154,1263 2.048,1264 1.895,1265 1.879,1266 1.947,1267 1.982,1268 1.106,1269 1.988,1270 1.61,1271 1.617,1272 1.606,1273 1.746,1274 0.854,1275 1.759,1276 1.461,1277 1.499,1278 1.576,1279 1.65,1280 0.628,1281 1.686,1282 1.23,1283 1.192,1284 1.564,1285 1.523,1286 0.584,1287 1.539,1288 1.192,1289 1.117,1290 1.552,1291 1.508,1292 0.574,1293 1.532,1294 1.184,1295 1.115,1296 1.483,1297 1.454,1298 0.548,1299 1.475,1300 4.394,1302 5.759,1304 7.331,1306 8.993,1308 10.701,1310 6.052,1317 2.057,1318 21.447,1326 40.93,1327 107.639,1328 219.973,1329 268.252,1330 302.226,1331 311.736,1332 316.491,1333 107.019,1334 8.095,1335 133.5,1336 150.26,1337 24,1338 13.014,1339 4.644,1340 4,1341 64.386,1342 155,1343 185,1344 0.193,1345 256.624,1346 459.22,1347 617.924,1348 38156,1350 26.794,1351 0.724,1352 0.595,1353 27.294,1354 22.014,1355 17.6,1356 0.44,1357 0.344,1358 10.83,1359 15.143,1360 10.207,1361 8.551,1362 19.21,1363 13.773,1364 16.513,1365 0.28,1366 0.193,1367 19.137,1368 11.413,1369 14.063,1370 0.178,1371 0.107,1372 16.466,1373 8.449,1374 11.045,1375 0.112,1376 0.057,1377 13.111,1378 5.685,1379 9.072,1380 0.07,1381 0.033,1382 11.118,1383 4.233,1384 0.299,1385 128.742,1386 0.198,1387 33.137,1388 0.546,1389 198,1390 729.583,1391 299.447,1392 722.477,1393 968.82,1394 664,1395 237,1396 650.963,1397 355.158,1398 729.513,1399 1064.16,1400 675,1401 4.173}
{0 CHEMBL1306347,1 1.632,2 9.304,3 3.581,4 12.821,5 91.31,6 8.714,7 0.615,8 3.744,9 3.824,10 3.503,11 3.411,12 4.922,13 3.373,14 4.217,15 4.337,16 3.931,17 3.8,18 5.4,19 3.742,20 4.322,21 4.461,22 3.83,23 3.781,24 5.486,25 3.714,26 4.351,27 4.519,28 3.703,29 3.736,30 5.419,31 3.659,32 4.269,33 4.439,34 3.715,35 3.634,36 5.409,37 3.584,38 4.327,39 4.5,40 3.625,41 3.563,42 5.559,43 3.516,44 4.195,45 4.382,46 3.386,47 3.426,48 5.321,49 3.339,50 3.941,51 4.106,52 3.378,53 3.343,54 5.046,55 3.221,56 0.038,57 0.481,58 6.009,59 3.355,60 7.044,61 3.65,62 0.202,63 0.802,64 11.94,65 5.793,66 17.698,67 6.633,68 0.216,69 0.945,70 18.969,71 6.952,72 20.774,73 7.134,74 0.164,75 0.921,76 14.179,77 6.358,78 19.485,79 7.279,80 0.154,81 0.846,82 14.129,83 6.072,84 17.238,85 7.045,86 0.323,87 0.897,88 17.115,89 6.374,90 34.727,91 6.599,92 0.276,93 0.742,94 14.898,95 5.887,96 35.444,97 6.093,98 0.205,99 0.595,100 12.21,101 4.861,102 26.789,103 4.947,104 10,105 38,106 0.289,107 0.671,108 0.765,109 0.868,110 0.877,111 0.877,112 3.189,113 0.931,114 -4.48,115 -4.41,116 -4.16,120 48.6,121 2,136 1,137 1,143 6,144 1,145 1,147 1,153 2,154 1,157 1,162 1,174 7,176 1,177 5,180 1,185 11,189 9,192 1,194 1,197 8,201 5,206 1,209 5,213 1,214 5,219 3,222 5,226 1,227 4,230 1,232 3,235 3,240 3,245 3,247 4,252 3,257 1,260 6,264 1,271 7,274 674,275 15.533,276 15.533,277 15.533,278 15.533,279 15.533,280 13.21,281 11.61,282 8.97,283 15.885,284 12.848,285 12.848,286 12.848,287 12.848,288 12.848,289 9.35,290 12.099,291 4.293,292 13.469,293 3.577,294 1.424,295 0.892,296 0.311,297 0.257,298 0.257,299 3.883,305 1,306 1,307 1,308 475,309 2.345,312 164.478,313 59.381,316 89.654,320 1.422,321 18.019,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49,333 214,334 4.576,335 3.38,336 6.732,337 4.181,338 3.2,339 4.236,340 0.986,341 10.974,342 3.141,343 4.398,344 3.098,345 6.329,346 3.967,347 3.021,348 4.077,350 9.711,351 2.855,352 4.029,353 2.752,354 5.874,355 3.556,356 2.633,357 3.626,359 8.145,360 2.417,361 3.603,362 2.371,363 5.449,364 3.154,365 2.174,366 2.978,368 6.634,369 2.126,370 3.388,371 2.226,372 5.01,373 2.988,374 2.037,375 2.652,377 5.852,378 1.918,379 3.173,380 1.977,381 4.763,382 2.674,383 1.712,384 2.336,386 4.975,387 1.644,388 2.811,389 1.491,390 4.208,391 2.349,392 1.354,393 1.934,395 3.69,396 1.346,397 2.696,398 1.407,399 4.04,400 2.276,401 1.32,402 1.75,404 3.148,405 1.256,406 2.561,407 1.228,408 3.615,409 2.068,410 1.13,411 1.585,413 2.935,414 1.049,415 2.327,416 0.834,417 3.518,418 1.728,419 0.752,420 1.138,422 1.961,423 0.732,424 2.161,425 0.676,426 3.267,427 1.552,428 0.666,429 0.991,431 1.648,432 0.574,433 1.282,434 0.177,435 2.852,436 0.897,437 -0.069,438 -0.088,440 -0.181,441 -0.066,442 0.728,443 -0.168,444 2.413,445 0.445,446 -0.507,447 -0.589,449 -1.264,450 -0.473,451 0.629,452 -0.379,453 2.344,454 0.221,455 -0.698,456 -0.815,458 -1.709,459 -0.638,460 0.516,461 -0.503,462 2,463 0.156,464 -0.804,465 -1.039,467 -1.976,468 -0.767,469 11.3,470 0.491,471 0.644,472 0.028,473 32.75,474 1.424,475 18,476 0.783,477 14.75,478 0.641,479 16.997,480 0.739,481 22.9,482 0.619,483 20.998,484 0.913,485 6.299,486 0.274,487 4.815,488 0.209,489 0.118,491 0.398,496 0.891,497 0.997,498 0.692,499 0.812,500 0.983,501 0.775,502 0.544,503 0.977,504 0.676,505 0.799,506 0.485,507 0.745,508 0.953,509 1.203,510 1.348,511 1.334,512 0.793,513 1.059,514 1.13,515 1.098,516 0.872,517 0.937,518 0.994,519 1.06,520 0.966,521 1.082,522 0.693,523 0.957,524 0.956,525 0.943,526 1.628,527 0.985,528 1.074,529 0.989,530 1.533,531 0.983,532 1.94,533 0.832,534 1.002,535 0.798,536 2.013,537 0.952,538 1.633,539 0.834,540 1.137,541 0.879,542 1.956,543 0.924,544 5,545 0.068,546 2.889,547 2.153,548 1.197,549 0.695,550 0.538,551 0.254,552 0.169,553 0.114,554 5817,555 15828,556 2.141,557 37.8,559 7,562 1,563 6,567 1.658,568 2,569 3.186,570 -0.326,572 1,574 1,575 60.388,576 1.632,577 3.786,578 4.317,579 4.898,580 4.952,581 4.952,582 2.653,583 4.35,584 4.497,585 3.324,586 840.976,587 7.744,588 9377.92,589 1,590 1,591 1,592 1,593 192.75,594 1.422,595 4.454,596 0.192,597 0.007,598 0.076,599 0.063,600 0.04,601 0.023,602 0.02,603 0.013,604 0.009,605 0.008,606 0.451,607 0.33,608 1,609 0.58,610 106.691,611 -0.075,612 -0.039,613 0.05,614 0.053,615 -0.182,616 0.045,617 0.309,618 0.015,619 0.215,620 0.14,621 0.214,622 0.141,623 0.006,624 -0.143,625 -0.223,626 -0.279,627 0.06,628 -0.148,629 -0.146,630 -0.116,631 -0.092,632 -0.092,633 -0.138,634 -0.155,635 0.063,636 -0.114,637 0.121,638 -0.093,639 0.065,640 -0.019,641 -0.064,642 0.037,643 -0.132,644 -0.078,645 0.004,646 -0.082,647 -0.338,648 0.101,649 -0.076,650 0.13,651 -0.26,652 0.004,653 -0.281,654 0.125,655 0.013,656 0.208,657 -0.34,658 0.055,659 1.837,660 4.085,661 0.826,662 16.813,663 1.006,664 1.103,665 3.253,666 10.584,667 0.733,668 3.296,669 3.664,670 3.97,671 4.277,672 4.431,673 4.5,674 4.625,675 4.779,676 4.745,677 4.771,678 5.503,679 0.698,680 322.41,681 3.296,682 4.86,683 5.733,684 6.635,685 7.527,686 8.43,687 9.328,688 10.232,689 11.133,690 12.037,691 5.4,700 1,701 1,709 6,710 1,712 1,713 1,714 7,716 16,734 1,738 37,739 18,740 1,741 26,743 40,744 18,745 13,746 2,747 4,748 3,752 4,753 5,759 2,768 16,769 2,772 2,780 1,781 1,782 2,785 1,786 1,789 14,790 4,791 1,792 5,793 1,797 2,803 0.75,804 2,808 1,822 3,823 1,826 1,834 1,845 1,846 1,855 3,857 1,859 2,862 23,868 1,880 1,886 5.4,888 1,891 1,893 11.5,894 7.517,895 4.889,896 2.174,898 3.91,899 1.536,900 1.013,901 3.421,902 11.205,903 3.611,904 4.277,905 4.916,906 5.545,907 5.982,908 6.367,909 6.826,910 7.299,911 7.606,912 7.95,913 1,914 34,915 8.47,917 3.663,918 7.688,919 16.171,921 13.459,924 2.188,925 50.333,929 153.024,930 138.865,931 33.571,933 52.191,935 31.278,936 107.588,937 205.215,938 33.571,939 17.65,941 66.334,942 67.246,943 39.403,944 2.717,945 184.302,947 153.024,948 141.159,949 52.191,950 31.278,952 153.024,953 52.191,956 43.438,957 71.459,958 26.262,959 31.278,960 153.024,961 85.762,962 138.865,965 153.024,966 54.881,967 83.984,969 85.762,970 153.024,971 85.762,972 138.865,973 0.594,974 0.352,975 0.197,976 0.104,977 21,978 9,979 0.05,980 2,981 1,982 1.105,983 3.554,984 192.653,985 0.105,986 19,987 104.042,989 1,993 14.401,994 5.463,995 2.531,997 85.762,998 11.875,999 4.427,1001 5.418,1002 1.583,1003 4.746,1005 42.683,1006 377.651,1007 36,1015 1.827,1016 4.538,1017 1.861,1020 37.236,1021 40.827,1022 0.313,1023 0.727,1024 0.829,1025 0.94,1026 0.951,1027 0.951,1028 4.86,1029 1.32,1030 5.74,1031 3.69,1032 4.344,1033 4.963,1034 1.08,1035 6.586,1036 4.254,1037 6.105,1038 1.13,1039 7.321,1040 3.148,1041 4.007,1042 4.783,1044 7.516,1045 3.867,1046 7.434,1047 0.752,1048 8.998,1049 2.935,1050 5.974,1051 7.204,1052 1.061,1053 10.639,1054 5.808,1055 8.8,1056 0.666,1057 10.731,1058 1.961,1059 6.463,1060 7.866,1062 12.412,1063 6.247,1064 10.198,1065 -0.069,1066 12.501,1067 1.648,1068 7.909,1069 9.719,1070 1.043,1071 15.037,1072 7.676,1073 11.618,1074 -0.507,1075 14.295,1076 -0.181,1077 8.764,1078 10.774,1080 17.157,1081 8.49,1082 13.055,1083 -0.698,1084 16.107,1085 -1.264,1086 10.014,1087 12.387,1088 1.024,1089 19.612,1090 9.724,1091 3.2,1092 -0.804,1093 17.934,1094 -1.709,1095 11.03,1096 13.632,1098 21.878,1099 10.708,1100 3.021,1101 10.974,1102 19.772,1103 -1.976,1104 12.206,1105 15.138,1106 1.006,1107 24.277,1108 11.868,1109 2.633,1110 9.711,1111 21.618,1112 4.236,1113 13.292,1114 16.475,1116 26.604,1117 12.928,1118 2.174,1119 8.145,1120 23.472,1121 4.077,1122 14.443,1123 17.934,1124 0.988,1125 28.986,1126 14.063,1127 2.037,1128 6.634,1129 25.332,1130 3.626,1131 15.56,1132 19.316,1134 31.342,1135 15.159,1136 1.712,1137 5.852,1138 27.196,1139 2.978,1140 16.704,1141 20.756,1142 0.971,1143 33.72,1144 16.286,1145 1.354,1146 4.975,1147 29.065,1148 2.652,1149 17.835,1150 22.159,1152 36.09,1153 17.399,1154 5469,1155 9178,1156 17.512,1157 27.137,1158 40.983,1159 39.988,1160 41.303,1161 40.001,1162 39.995,1163 54.607,1164 1.972,1165 119.346,1166 38.114,1167 5.284,1168 5.38,1169 6.413,1170 5.281,1171 5.2,1172 7.236,1173 1.972,1174 17.901,1175 5.141,1176 10.23,1177 1.576,1178 1.538,1179 1.589,1180 1.538,1181 1.538,1182 2.1,1183 0.076,1184 4.59,1185 1.466,1186 4.058,1187 4.078,1188 4.261,1189 3.996,1190 6.482,1191 3.986,1192 3.935,1193 3.943,1194 3.993,1195 3.925,1196 5.043,1197 3.873,1198 3.705,1199 3.719,1200 3.749,1201 3.574,1202 4.897,1203 3.588,1204 3.461,1205 3.513,1206 3.366,1207 3.321,1208 4.57,1209 3.33,1210 3.082,1211 3.165,1212 2.919,1213 2.93,1214 4.381,1215 2.914,1216 2.996,1217 3.068,1218 2.805,1219 2.82,1220 3.976,1221 2.804,1222 2.852,1223 2.928,1224 2.683,1225 2.708,1226 3.71,1227 2.69,1228 2.649,1229 2.708,1230 2.667,1231 2.514,1232 3.669,1233 2.502,1234 0.176,1235 0.13,1236 0.259,1237 0.161,1238 0.123,1239 4.576,1240 0.163,1241 3.38,1242 0.038,1243 6.732,1244 0.422,1245 4.181,1246 0.121,1247 3.2,1248 4.236,1249 0.986,1250 10.974,1251 3.141,1252 1.885,1253 1.863,1254 1.985,1255 1.951,1256 1.104,1257 1.964,1258 1.653,1259 1.619,1260 1.79,1261 1.787,1262 0.883,1263 1.787,1264 1.572,1265 1.535,1266 1.763,1267 1.699,1268 0.877,1269 1.723,1270 1.504,1271 1.513,1272 1.548,1273 1.621,1274 0.725,1275 1.622,1276 1.325,1277 1.285,1278 1.513,1279 1.547,1280 0.587,1281 1.537,1282 0.969,1283 0.943,1284 1.168,1285 1.247,1286 0.231,1287 1.239,1288 0.889,1289 0.822,1290 1.128,1291 1.103,1292 0.204,1293 1.125,1294 0.857,1295 0.796,1296 1.037,1297 1.038,1298 0.126,1299 1.053,1300 3.97,1302 5.323,1303 3.434,1304 6.847,1305 5.82,1306 8.449,1307 7.908,1308 10.095,1310 3.974,1314 10.085,1326 25.82,1327 60.388,1328 140.079,1329 159.73,1330 181.24,1331 183.24,1332 183.24,1333 28.816,1334 7.295,1335 59.15,1336 87.39,1337 21,1338 12.557,1339 4.248,1340 3.459,1341 31.866,1342 76,1343 75,1344 0.208,1345 160.224,1346 272.15,1347 382.708,1348 13893,1350 15.974,1351 0.695,1352 0.588,1353 16.328,1354 13.516,1355 11.114,1356 0.427,1357 0.31,1358 7.249,1359 10.308,1360 6.929,1361 5.757,1362 11.522,1363 8.066,1364 10.468,1365 0.275,1366 0.176,1367 11.197,1368 6.68,1369 8.985,1370 0.173,1371 0.091,1372 9.708,1373 4.728,1374 7.704,1375 0.109,1376 0.048,1377 8.39,1378 3.42,1379 5.967,1380 0.072,1381 0.026,1382 6.51,1383 2.129,1384 0.322,1385 72.978,1386 0.239,1387 22.358,1388 0.586,1389 128,1390 366.036,1391 164.373,1392 378.816,1393 532.65,1394 356,1395 154,1396 394.68,1397 185.795,1398 415.317,1399 614.19,1400 392,1401 4.669}
{0 CHEMBL1307643,1 1.404,2 12.793,3 4.968,4 24.678,5 126.717,6 6.64,7 0.344,8 4.195,9 4.343,10 3.679,11 3.718,12 5.085,13 3.655,14 4.804,15 5.028,16 4.066,17 4.138,18 5.618,19 4.051,20 5.09,21 5.339,22 4.153,23 4.369,24 5.861,25 4.227,26 5.19,27 5.464,28 4.099,29 4.392,30 5.945,31 4.199,32 5.118,33 5.407,34 4.026,35 4.293,36 5.882,37 4.097,38 4.932,39 5.188,40 3.861,41 4.193,42 5.711,43 4.011,44 4.906,45 5.172,46 3.858,47 4.152,48 5.664,49 3.967,50 4.87,51 5.148,52 3.66,53 4.057,54 5.591,55 3.863,56 0.075,57 0.947,58 15.107,59 5.687,60 8.782,61 8.476,62 0.306,63 1.587,64 29.721,65 9.144,66 22.253,67 14.411,68 0.333,69 1.991,70 40.027,71 13.528,72 26.968,73 19.913,74 0.324,75 2.083,76 47.142,77 15.969,78 36.481,79 22.539,80 0.387,81 1.913,82 45.427,83 14.854,84 40.151,85 20.658,86 0.269,87 1.653,88 37.633,89 12.729,90 29.263,91 17.631,92 0.232,93 1.56,94 32.949,95 12.585,96 29.282,97 17.926,98 0.233,99 1.475,100 33.592,101 11.613,102 25.985,103 16.508,104 18,105 45,106 0.228,107 0.505,108 0.722,109 0.851,110 0.851,111 0.851,112 3.408,113 1.068,114 -4.78,115 -4.69,116 -4.41,120 37.1,121 3,122 2,123 1,126 7,143 4,144 2,145 1,147 1,148 1,160 1,174 8,176 1,177 7,180 1,182 2,185 8,188 1,189 6,194 2,197 6,201 6,206 3,209 3,213 1,214 6,217 1,219 4,222 2,227 2,235 4,239 1,240 6,243 1,247 9,252 2,260 7,263 1,264 2,271 9,274 1332,275 19.627,276 19.627,277 19.627,278 19.627,279 19.627,280 18.237,281 28.4,282 11.42,283 20.179,284 15.731,285 15.731,286 15.731,287 15.731,288 15.731,289 13.505,290 39.34,291 5.373,292 16.628,293 4.55,294 2.843,295 1.509,296 0.714,297 0.714,298 0.714,299 4.105,306 1,307 1,308 803,309 3.082,313 349.156,317 131.025,320 2.366,321 15.042,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 60.5,333 371,334 4.559,335 3.892,336 6.539,337 4.096,338 3.124,339 4.499,340 1.803,341 10.33,342 3.047,343 4.038,344 3.242,345 6.097,346 3.774,347 2.863,348 3.384,349 0.8,350 8.902,351 2.622,352 3.913,353 2.984,354 6.064,355 3.679,356 2.744,357 3.134,358 0.8,359 8.745,360 2.56,361 3.599,362 2.685,363 5.316,364 3.363,365 2.414,366 2.874,367 0.566,368 6.869,369 2.297,370 3.421,371 2.616,372 5.278,373 3.241,374 2.302,375 2.746,376 0.076,377 6.7,378 2.143,379 3.398,380 2.401,381 5.061,382 3.061,383 2.096,384 2.465,386 5.812,387 2.01,388 3.249,389 2.071,390 4.952,391 2.918,392 1.95,393 2.296,395 5.726,396 1.882,397 2.704,398 1.917,399 4.434,400 2.411,401 1.465,402 1.742,404 4.246,405 1.382,406 2.487,407 1.601,408 3.98,409 2.277,410 1.321,411 1.446,413 3.244,414 1.258,415 2.389,416 1.228,417 3.699,418 1.987,419 1.036,420 1.345,422 2.492,423 0.982,424 2.115,425 1.146,426 3.466,427 1.967,428 1,429 1.085,431 2.453,432 0.965,433 2,434 1.069,435 3.414,436 1.934,437 0.97,438 1,440 2.275,441 0.925,442 1.575,443 0.688,444 2.954,445 1.464,446 0.502,447 0.516,449 0.799,450 0.481,451 1.428,452 0.606,453 2.776,454 1.053,455 0.114,456 0.144,458 0.278,459 0.106,460 1.011,461 0.067,462 2.656,463 0.586,464 -0.378,465 -0.399,467 -0.884,468 -0.356,469 14.333,470 0.494,471 0.729,472 0.025,473 31.25,474 1.078,475 12,476 0.414,477 19.25,478 0.664,479 31.23,480 1.077,481 32.467,482 0.524,483 21.383,484 0.737,485 5.557,486 0.192,487 8.472,488 0.292,489 0.163,491 0.328,496 1.018,497 1.538,498 0.803,499 1.102,500 0.828,501 1.095,502 1.285,503 1.116,504 0.805,505 0.878,506 0.588,507 0.909,508 1.28,509 1.044,510 0.962,511 0.939,512 0.931,513 1.002,514 1.087,515 1.083,516 1.092,517 1.066,518 1.22,519 1.031,520 1.108,521 0.897,522 1.106,523 0.967,524 1.258,525 0.9,526 1.253,527 1.045,528 1.33,529 1.174,530 1.509,531 1.088,532 0.476,533 1.032,534 0.806,535 1.015,536 0.723,537 1.05,538 1.035,539 1.025,540 1.114,541 1.077,542 1.243,543 1.044,544 6.5,545 0.161,546 3.333,547 1.688,548 2.062,549 0.979,550 0.586,551 0.484,552 0.319,553 0.217,554 11570,555 21656,556 2.09,557 53.2,558 8,559 18,562 1,564 6,567 1.716,568 1.955,569 3.62,570 -0.371,575 87.044,576 1.404,577 3.111,578 4.445,579 5.24,580 5.24,581 5.24,582 3.112,583 4.375,584 4.823,585 3.797,586 1541.58,587 8.383,588 21141.8,590 1,593 369.16,594 1.416,595 4.788,596 0.203,597 0.008,598 0.074,599 0.036,600 0.05,601 0.026,602 0.017,603 0.015,604 0.011,605 0.009,606 0.45,607 0.33,608 1,609 0.729,610 148.917,611 0.066,612 -0.293,613 0.059,614 -0.089,615 0.007,616 -0.026,617 0.09,618 0.022,619 0.091,620 0.042,621 0.253,622 0.071,623 -0.098,624 0.03,625 -0.023,626 0.018,627 0.019,628 -0.017,629 -0.067,630 -0.073,631 -0.027,632 -0.032,633 -0.035,634 -0.037,635 0.012,636 0.105,637 0.033,638 0.083,639 0.022,640 0.079,641 -0.197,642 0.019,643 -0.172,644 -0.072,645 -0.267,646 -0.073,647 0.209,648 -0.064,649 0.08,650 -0.028,651 0.177,652 -0.029,653 -0.098,654 -0.037,655 -0.099,656 -0.065,657 -0.181,658 -0.049,659 0.827,660 2.012,661 0.759,662 32.963,663 0.983,664 1.133,665 3.547,666 12.582,667 0.651,668 3.497,669 3.829,670 4.094,671 4.344,672 4.615,673 4.673,674 4.828,675 4.934,676 5.112,677 5.176,678 7.321,679 0.591,680 411.68,681 3.497,682 5.043,683 5.894,684 6.772,685 7.639,686 8.519,687 9.393,688 10.276,689 11.154,690 12.039,691 8.1,694 1,697 1,698 2,701 1,708 2,709 4,710 1,714 3,716 11,732 1,738 62,739 12,740 1,741 32,743 65,744 23,745 9,746 3,747 3,752 4,753 5,757 1,759 3,763 2,764 1,766 2,768 10,769 13,770 1,772 1,779 1,782 1,789 33,790 5,791 1,792 6,793 1,797 5,803 0.75,816 1,823 4,827 1,851 1,855 3,857 1,859 3,862 29,869 9,871 1,874 1,875 3,893 14.833,894 11.883,895 6.361,896 4.219,898 2.344,899 1.301,900 0.979,901 6.573,902 10.132,903 3.676,904 4.227,905 4.766,906 5.337,907 5.932,908 6.278,909 6.723,910 7.104,911 7.5,912 7.57,913 0.889,914 47,915 10.77,917 4.481,918 7.362,919 21.665,921 18.22,924 1.862,925 54,928 1,929 376.675,930 142.653,931 44.169,935 45.192,936 97.461,937 376.675,938 44.169,939 26.476,940 40.944,941 37.905,942 16.786,943 16.908,944 2.612,945 376.675,946 45.192,947 376.675,948 141.631,950 45.192,952 306.049,953 70.627,956 72.688,957 52.157,958 16.786,959 45.192,960 376.675,961 44.169,962 142.653,965 376.675,966 33.081,967 73.754,968 18.011,969 61.978,970 376.675,971 44.169,972 142.653,973 0.584,974 0.343,975 0.18,976 0.102,977 22,978 10,979 0.046,980 3,981 1,982 1.091,983 4.092,984 254.155,985 0.091,986 22,987 134.127,990 1,993 20.828,994 9.152,995 4.84,996 2.252,997 44.169,998 8.652,999 4.967,1003 3.42,1005 18.011,1006 563.498,1007 38.5,1014 5.679,1017 0.84,1020 60.956,1021 70.224,1022 0.236,1023 0.523,1024 0.747,1025 0.88,1026 0.88,1027 0.88,1028 4.94,1029 1.465,1030 5.883,1031 5.726,1032 4.511,1033 4.913,1034 2.197,1035 6.683,1036 4.406,1037 6.116,1038 1.321,1039 7.438,1040 4.246,1041 4.111,1042 4.771,1043 1.577,1044 7.535,1045 3.935,1046 7.414,1047 1.036,1048 9.086,1049 3.244,1050 6.103,1051 7.056,1052 2.798,1053 10.61,1054 5.896,1055 8.741,1056 1,1057 10.788,1058 2.492,1059 6.479,1060 7.75,1061 2.75,1062 12.251,1063 6.205,1064 10.102,1065 0.97,1066 12.523,1067 2.453,1068 7.951,1069 9.569,1070 3.757,1071 14.843,1072 7.651,1073 11.486,1074 0.502,1075 14.282,1076 2.275,1077 8.694,1078 10.673,1079 3.988,1080 16.835,1081 8.34,1082 12.888,1083 0.114,1084 16.058,1085 0.799,1086 9.949,1087 12.307,1088 4.836,1089 19.247,1090 9.569,1091 3.124,1092 -0.378,1093 17.847,1094 0.278,1095 10.875,1096 13.62,1097 5.22,1098 21.406,1099 10.455,1100 2.863,1101 10.33,1102 19.647,1103 -0.884,1104 12.038,1105 15.176,1106 5.963,1107 23.75,1108 11.593,1109 2.744,1110 8.902,1111 21.456,1112 4.499,1113 13.056,1114 16.591,1115 6.434,1116 25.988,1117 12.581,1118 2.414,1119 8.745,1120 23.272,1121 3.384,1122 14.183,1123 18.115,1124 7.113,1125 28.308,1126 13.685,1127 2.302,1128 6.869,1129 25.094,1130 3.134,1131 15.247,1132 19.577,1133 7.634,1134 30.586,1135 14.727,1136 2.096,1137 6.7,1138 26.922,1139 2.874,1140 16.362,1141 21.089,1142 8.276,1143 32.901,1144 15.821,1145 1.95,1146 5.812,1147 28.754,1148 2.746,1149 17.451,1150 22.573,1151 8.825,1152 35.199,1153 16.892,1154 10997,1155 15218,1156 21.383,1157 40.336,1158 48.061,1159 49.398,1160 49.387,1161 47.853,1162 47.802,1163 57.352,1164 8.091,1165 137.74,1166 45.322,1167 5.559,1168 5.892,1169 6.092,1170 5.164,1171 5.124,1172 7.499,1173 3.18,1174 17.224,1175 5.047,1176 14.309,1177 1.502,1178 1.544,1179 1.543,1180 1.495,1181 1.494,1182 1.792,1183 0.253,1184 4.304,1185 1.416,1186 4.1,1187 4.134,1188 4.082,1189 4.023,1190 4.995,1191 4.028,1192 3.872,1193 3.934,1194 3.927,1195 3.742,1196 4.807,1197 3.729,1198 3.824,1199 3.895,1200 3.711,1201 3.636,1202 4.427,1203 3.645,1204 3.551,1205 3.608,1206 3.596,1207 3.438,1208 4.271,1209 3.424,1210 3.388,1211 3.473,1212 3.393,1213 3.266,1214 4.241,1215 3.204,1216 3.323,1217 3.394,1218 3.179,1219 3.191,1220 4.066,1221 3.168,1222 3.225,1223 3.304,1224 3.029,1225 3.081,1226 3.918,1227 3.046,1228 3.111,1229 3.206,1230 2.981,1231 2.941,1232 3.759,1233 2.922,1234 0.142,1235 0.122,1236 0.204,1237 0.128,1238 0.098,1239 4.559,1240 0.141,1241 3.892,1242 0.056,1243 6.539,1244 0.323,1245 4.096,1246 0.095,1247 3.124,1248 4.499,1249 1.803,1250 10.33,1251 3.047,1252 2.051,1253 2.027,1254 2.124,1255 2.148,1256 1.425,1257 2.143,1258 1.852,1259 1.793,1260 2.063,1261 2.023,1262 1.327,1263 2.041,1264 1.776,1265 1.705,1266 1.985,1267 1.986,1268 1.238,1269 1.993,1270 1.529,1271 1.479,1272 1.753,1273 1.7,1274 0.936,1275 1.718,1276 1.396,1277 1.311,1278 1.691,1279 1.611,1280 0.903,1281 1.646,1282 1.325,1283 1.254,1284 1.65,1285 1.533,1286 0.825,1287 1.578,1288 1.221,1289 1.161,1290 1.513,1291 1.422,1292 0.79,1293 1.45,1294 1.153,1295 1.064,1296 1.414,1297 1.376,1298 0.644,1299 1.429,1300 4.174,1302 5.501,1304 7.027,1306 8.641,1308 10.301,1310 6.723,1315 10.089,1317 3.454,1320 0.712,1321 7.212,1326 36.669,1327 87.044,1328 192.903,1329 275.593,1330 324.896,1331 324.896,1332 324.896,1333 40.272,1334 7.787,1335 34.64,1336 66.73,1337 24,1338 12.573,1339 3.7,1340 2.907,1341 44.948,1342 128,1343 137,1344 0.174,1345 229.359,1346 392.89,1347 551.395,1348 26523,1350 20.38,1351 0.703,1352 0.647,1353 20.88,1354 18.764,1355 14.029,1356 0.438,1357 0.356,1358 10.894,1359 13.357,1360 10.497,1361 8.73,1362 14.318,1363 11.387,1364 12.746,1365 0.283,1366 0.199,1367 13.116,1368 8.961,1369 10.79,1370 0.183,1371 0.114,1372 11.143,1373 6.701,1374 8.869,1375 0.117,1376 0.063,1377 9.187,1378 4.769,1379 7.415,1380 0.074,1381 0.034,1382 7.698,1383 3.392,1384 0.277,1385 89.641,1386 0.216,1387 27.868,1388 0.464,1389 154,1390 331.774,1391 179.053,1392 351.961,1393 492.37,1394 332,1395 181,1396 362.188,1397 203.4,1398 377.77,1399 556.35,1400 356,1401 4.958}
{0 CHEMBL1307663,1 1.63,2 10.793,3 3.084,4 9.51,5 115.494,6 7.876,7 0.5,8 4.052,9 4.163,10 3.705,11 3.643,12 5.167,13 3.601,14 4.587,15 4.749,16 4.111,17 4.055,18 5.69,19 3.991,20 4.803,21 4.97,22 4.212,23 4.22,24 5.86,25 4.134,26 4.921,27 5.098,28 4.297,29 4.244,30 6.061,31 4.14,32 4.951,33 5.171,34 4.104,35 4.144,36 6.039,37 4.033,38 4.836,39 5.04,40 4.05,41 4.016,42 6.121,43 3.932,44 4.702,45 4.895,46 3.955,47 3.959,48 5.86,49 3.876,50 4.645,51 4.822,52 3.892,53 3.947,54 5.847,55 3.85,56 0.043,57 0.753,58 10.554,59 4.962,60 9.591,61 6.032,62 0.29,63 1.235,64 21.554,65 8.49,66 32.532,67 10.586,68 0.23,69 1.507,70 29.302,71 11.346,72 30.166,73 13.675,74 0.439,75 1.652,76 34.394,77 12.894,78 45.78,79 15.742,80 0.415,81 1.653,82 39.287,83 13.086,84 57.241,85 15.623,86 0.684,87 1.443,88 34.603,89 10.876,90 107.338,91 12.699,92 0.382,93 1.258,94 26.618,95 9.564,96 55.954,97 11.441,98 0.42,99 1.225,100 26.552,101 9.478,102 60.031,103 11.118,104 35,105 46,106 0.271,107 0.63,108 0.796,109 0.859,110 0.865,111 0.878,112 3.409,113 0.973,114 -3.69,115 -3.65,116 -3.48,120 42.3,121 1,122 1,125 1,126 3,143 6,144 5,145 1,153 1,154 1,159 2,164 1,165 1,166 1,174 11,177 6,179 1,180 2,182 4,185 15,187 1,189 6,194 3,197 11,199 1,200 1,201 9,204 2,205 1,206 5,208 1,209 7,211 2,214 5,217 1,219 2,222 6,226 2,227 7,229 2,230 2,232 3,235 7,237 1,239 1,240 4,245 3,247 7,249 1,251 1,252 5,254 1,255 1,257 3,260 8,262 3,263 1,264 5,269 2,271 7,273 2,274 1270,275 19.687,276 19.687,277 19.687,278 19.687,279 19.687,280 17.562,281 25.123,282 11.348,283 20.181,284 15.67,285 15.67,286 15.67,287 15.67,288 15.67,289 12.218,290 36.427,291 5.199,292 16.349,293 4.07,294 1.905,295 0.904,296 0.529,297 0.491,298 0.414,299 4.103,306 1,307 1,308 678,309 3.674,312 59.244,313 226.885,316 114.601,317 126.903,320 1.415,321 31.431,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 62.5,333 313,334 4.615,335 3.675,336 6.904,337 4.226,338 3.268,339 4.428,340 1.058,341 11.575,342 3.137,343 4.518,344 3.569,345 6.536,346 4.084,347 3.095,348 4.316,349 0.98,350 10.316,351 3.059,352 4.044,353 3.167,354 6.032,355 3.638,356 2.645,357 3.572,358 0.916,359 8.605,360 2.628,361 3.709,362 2.99,363 5.772,364 3.477,365 2.527,366 2.936,367 0.86,368 7.806,369 2.391,370 3.448,371 2.67,372 5.238,373 3.053,374 2.108,375 2.712,376 0.172,377 6.345,378 1.976,379 3.294,380 2.586,381 5.14,382 3.004,383 2.058,384 2.483,386 6.007,387 1.932,388 3.159,389 2.156,390 4.92,391 2.751,392 1.807,393 2.284,395 5.397,396 1.693,397 2.976,398 1.908,399 4.432,400 2.497,401 1.518,402 2.147,404 4.209,405 1.467,406 2.883,407 1.736,408 4.293,409 2.409,410 1.424,411 2.016,413 3.704,414 1.39,415 2.722,416 1.464,417 3.654,418 2.376,419 1.395,420 1.728,422 3.013,423 1.348,424 2.287,425 1.297,426 3.605,427 1.82,428 0.84,429 1.158,431 2.118,432 0.814,433 1.852,434 0.999,435 3.33,436 1.641,437 0.674,438 0.759,440 1.516,441 0.643,442 1.649,443 0.737,444 2.877,445 1.32,446 0.421,447 0.503,449 0.693,450 0.375,451 1.43,452 0.603,453 2.818,454 1.283,455 0.335,456 0.363,458 0.56,459 0.312,460 1.107,461 0.445,462 2.765,463 0.745,464 -0.188,465 -0.224,467 -0.499,468 -0.172,469 14.033,470 0.484,471 0.746,472 0.026,473 36.5,474 1.259,475 18,476 0.621,477 18.5,478 0.638,479 26.693,480 0.92,481 30.967,482 0.596,483 28.335,484 0.977,485 7.155,486 0.247,487 6.857,488 0.236,489 0.147,491 0.385,496 0.775,497 1.135,498 0.751,499 0.919,500 0.63,501 0.884,502 0.833,503 0.893,504 0.778,505 0.789,506 0.489,507 0.779,508 0.945,509 1.118,510 1.06,511 1.102,512 0.846,513 0.99,514 0.697,515 1.268,516 1.019,517 1.289,518 0.834,519 1.159,520 1.203,521 1.056,522 1.222,523 1.13,524 1.214,525 0.977,526 1.416,527 0.894,528 1.198,529 0.993,530 1.547,531 0.912,532 1.41,533 0.955,534 0.992,535 0.904,536 1.61,537 0.922,538 1.185,539 1.077,540 1.289,541 1.169,542 1.388,543 1.097,544 6,545 0.135,546 3.333,547 2.729,548 2.25,549 1.327,550 0.756,551 0.615,552 0.375,553 0.271,554 10115,555 26456,556 2.07,557 44.2,559 15,562 3,564 5,567 1.724,568 1.912,569 3.388,570 0.891,571 1,572 1,575 84.764,576 1.63,577 3.795,578 4.796,579 5.171,580 5.21,581 5.287,582 2.802,583 4.487,584 4.831,585 3.512,586 1425.86,587 8.436,588 18812.4,590 1,592 1,593 296.423,594 1.487,595 4.777,596 0.188,597 0.006,598 0.072,599 0.055,600 0.047,601 0.032,602 0.019,603 0.017,604 0.011,605 0.009,606 0.455,607 0.33,608 1,609 0.943,610 145.498,611 -0.065,612 0.001,613 0.054,614 0.056,615 -0.066,616 0.053,617 0.039,618 0.19,619 0.145,620 0.203,621 0.119,622 0.175,623 -0.078,624 -0.064,625 -0.025,626 -0.035,627 -0.028,628 -0.008,629 0.236,630 -0.245,631 0.049,632 -0.22,633 0.094,634 -0.173,635 -0.089,636 -0.042,637 -0.054,638 -0.064,639 -0.059,640 0.004,641 0.008,642 0.131,643 -0.057,644 0.029,645 0.065,646 0.026,647 -0.135,648 0.035,649 -0.01,650 0.062,651 -0.156,652 0.023,653 -0.015,654 -0.041,655 -0.202,656 -0.117,657 -0.073,658 -0.14,659 2.173,660 6.099,661 0.655,662 24.737,663 1.004,664 1.119,665 2.457,666 6.039,667 0.685,668 3.497,669 3.85,670 4.174,671 4.489,672 4.736,673 4.852,674 4.99,675 5.075,676 5.1,677 5.112,678 6.273,679 0.647,680 409.55,681 3.497,682 5.056,683 5.932,684 6.836,685 7.732,686 8.642,687 9.545,688 10.457,689 11.363,690 12.276,691 5.8,694 1,698 2,708 2,709 6,713 1,714 6,716 16,722 1,723 1,735 1,738 52,739 18,740 2,741 32,743 55,744 22,745 14,746 4,747 6,748 2,752 4,753 6,759 1,763 1,766 1,768 16,769 6,772 2,778 2,782 2,786 1,789 23,790 6,791 3,792 7,793 1,797 3,803 0.5,804 3,822 1,823 3,826 1,827 1,851 1,855 2,857 1,859 2,862 29,863 1,869 4,871 1,872 1,875 1,880 1,886 5.8,889 2,891 1,893 15.167,894 9.95,895 6.444,896 3.154,898 3.328,899 1.425,900 1.007,901 5.679,902 11.168,903 3.761,904 4.391,905 5.021,906 5.648,907 6.174,908 6.515,909 6.872,910 7.187,911 7.517,912 7.587,913 1,914 50,915 10.781,917 4.667,918 7.793,919 20.537,921 17.116,924 2.293,925 66.5,928 1,929 235.422,930 148.338,931 54.032,933 61.29,935 31.278,936 117.061,937 296.712,938 54.032,939 19.708,940 59.76,941 56.857,942 59.699,943 35,944 1.358,945 266.7,947 235.422,948 171.093,949 61.29,950 31.278,952 176.567,953 120.145,956 72.639,957 98.454,959 31.278,960 235.422,961 115.322,962 148.338,965 235.422,966 71.773,967 79.69,968 18.011,969 94.187,970 235.422,971 115.322,972 148.338,973 0.583,974 0.357,975 0.204,976 0.115,977 23,978 11,979 0.091,980 5,981 2,982 1.211,983 3.913,984 266.159,985 0.211,986 19,987 140.881,989 1,993 20.019,994 8.227,995 3.801,996 1.933,997 115.322,998 11.434,1002 1.434,1003 3.915,1005 50.908,1006 499.082,1007 42,1013 25.26,1017 -0.825,1020 52.2,1021 58.195,1022 0.286,1023 0.666,1024 0.841,1025 0.907,1026 0.914,1027 0.927,1028 5.017,1029 1.518,1030 5.938,1031 5.397,1032 4.533,1033 5.078,1034 2.097,1035 6.801,1036 4.458,1037 6.242,1038 1.424,1039 7.53,1040 4.209,1041 4.205,1042 5.027,1043 0.325,1044 7.801,1045 4.113,1046 7.573,1047 1.395,1048 9.221,1049 3.704,1050 6.176,1051 7.339,1052 2.002,1053 10.927,1054 6.043,1055 8.941,1056 0.84,1057 10.97,1058 3.013,1059 6.661,1060 8.117,1061 0.393,1062 12.753,1063 6.511,1064 10.341,1065 0.674,1066 12.756,1067 2.118,1068 8.119,1069 9.929,1070 1.959,1071 15.405,1072 7.938,1073 11.766,1074 0.421,1075 14.567,1076 1.516,1077 8.974,1078 11.085,1079 0.384,1080 17.578,1081 8.77,1082 13.209,1083 0.335,1084 16.398,1085 0.693,1086 10.238,1087 12.7,1088 1.945,1089 20.072,1090 10.007,1091 3.268,1092 -0.188,1093 18.243,1094 0.56,1095 11.263,1096 14.03,1097 0.351,1098 22.392,1099 11.003,1100 3.095,1101 11.575,1102 20.099,1103 -0.499,1104 12.455,1105 15.563,1106 1.952,1107 24.835,1108 12.167,1109 2.645,1110 10.316,1111 21.965,1112 4.428,1113 13.556,1114 16.971,1115 0.312,1116 27.217,1117 13.235,1118 2.527,1119 8.605,1120 23.84,1121 4.316,1122 14.724,1123 18.469,1124 1.974,1125 29.646,1126 14.373,1127 2.108,1128 7.806,1129 25.72,1130 3.572,1131 15.859,1132 19.914,1133 0.273,1134 32.056,1135 15.474,1136 2.058,1137 6.345,1138 27.606,1139 2.936,1140 17.021,1141 21.398,1142 2.01,1143 34.484,1144 16.604,1145 1.807,1146 6.007,1147 29.498,1148 2.712,1149 18.172,1150 22.859,1151 0.236,1152 36.907,1153 17.72,1154 9701,1155 15858,1156 21.096,1157 35.642,1158 48.421,1159 50.368,1160 50.713,1161 48.205,1162 48.232,1163 62.811,1164 7.974,1165 143.732,1166 46.329,1167 5.561,1168 5.675,1169 6.588,1170 5.365,1171 5.268,1172 7.428,1173 2.117,1174 18.742,1175 5.137,1176 15.477,1177 1.513,1178 1.574,1179 1.585,1180 1.506,1181 1.507,1182 1.963,1183 0.249,1184 4.492,1185 1.448,1186 4.104,1187 4.12,1188 4.287,1189 4.063,1190 7.438,1191 4.054,1192 4.002,1193 4.021,1194 4.044,1195 3.993,1196 7.428,1197 3.947,1198 3.637,1199 3.692,1200 3.562,1201 3.478,1202 4.934,1203 3.489,1204 3.555,1205 3.586,1206 3.492,1207 3.407,1208 4.892,1209 3.404,1210 3.316,1211 3.393,1212 3.346,1213 3.119,1214 4.599,1215 3.105,1216 3.3,1217 3.349,1218 3.174,1219 3.043,1220 4.58,1221 3.061,1222 3.165,1223 3.231,1224 3.073,1225 3.017,1226 4.19,1227 2.984,1228 3.073,1229 3.133,1230 2.939,1231 2.886,1232 4.076,1233 2.883,1234 0.144,1235 0.115,1236 0.216,1237 0.132,1238 0.102,1239 4.615,1240 0.138,1241 3.675,1242 0.033,1243 6.904,1244 0.362,1245 4.226,1246 0.098,1247 3.268,1248 4.428,1249 1.058,1250 11.575,1251 3.137,1252 2.071,1253 2.057,1254 2.146,1255 2.131,1256 1.31,1257 2.136,1258 1.825,1259 1.784,1260 1.988,1261 1.984,1262 1.288,1263 1.993,1264 1.603,1265 1.584,1266 1.762,1267 1.78,1268 0.957,1269 1.764,1270 1.501,1271 1.47,1272 1.685,1273 1.684,1274 0.785,1275 1.687,1276 1.391,1277 1.337,1278 1.56,1279 1.582,1280 0.718,1281 1.608,1282 1.192,1283 1.135,1284 1.504,1285 1.513,1286 0.623,1287 1.504,1288 1.134,1289 1.075,1290 1.39,1291 1.353,1292 0.555,1293 1.385,1294 1.066,1295 1.003,1296 1.297,1297 1.267,1298 0.364,1299 1.302,1300 4.174,1302 5.517,1303 2.398,1304 7.064,1305 4.844,1306 8.705,1307 7.05,1308 10.396,1310 3.654,1313 5.673,1315 3.352,1317 2.918,1318 5.444,1321 2.307,1326 33.664,1327 84.764,1328 197.345,1329 249.403,1330 268.913,1331 270.913,1332 274.913,1333 56.171,1334 7.84,1335 84.66,1336 112.9,1337 23,1338 12.791,1339 4.248,1340 3.459,1341 44.549,1342 110,1343 114,1344 0.2,1345 209.384,1346 361.14,1347 502.658,1348 27867,1350 20.543,1351 0.708,1352 0.595,1353 20.897,1354 17.267,1355 14.012,1356 0.438,1357 0.324,1358 9.506,1359 13.07,1360 9.16,1361 7.584,1362 14.42,1363 10.379,1364 12.65,1365 0.275,1366 0.177,1367 13.292,1368 8.15,1369 10.923,1370 0.171,1371 0.102,1372 11.68,1373 6.501,1374 9.55,1375 0.109,1376 0.058,1377 10.617,1378 5.102,1379 7.868,1380 0.07,1381 0.033,1382 8.831,1383 3.696,1384 0.31,1385 91.731,1386 0.218,1387 27.125,1388 0.565,1389 156,1390 451.357,1391 194.649,1392 455.449,1393 621.36,1394 426,1395 188,1396 436.772,1397 223.802,1398 460.982,1399 680.74,1400 433,1401 4.39}
{0 CHEMBL1308020,1 1.455,2 10.69,3 2.706,4 7.32,5 118.395,6 6.688,7 0.375,8 4.161,9 4.296,10 3.647,11 3.651,12 5.134,13 3.62,14 4.75,15 4.956,16 3.985,17 4.054,18 5.654,19 4.001,20 5.004,21 5.227,22 4.082,23 4.257,24 5.886,25 4.163,26 5.135,27 5.391,28 4.013,29 4.287,30 6.028,31 4.157,32 5.131,33 5.401,34 3.928,35 4.249,36 5.976,37 4.105,38 5.028,39 5.294,40 3.893,41 4.168,42 5.886,43 4.035,44 4.917,45 5.154,46 3.913,47 4.128,48 5.782,49 4.015,50 4.994,51 5.253,52 3.902,53 4.141,54 5.863,55 4.027,56 0.043,57 0.877,58 13.902,59 5.297,60 7.868,61 7.683,62 0.358,63 1.425,64 26.661,65 8.288,66 22.83,67 12.561,68 0.336,69 1.755,70 34.168,71 11.583,72 30.744,73 17.345,74 0.43,75 1.866,76 39.466,77 13.304,78 51.369,79 19.955,80 0.374,81 1.776,82 39.43,83 13.639,84 51.328,85 20.229,86 0.482,87 1.634,88 35.713,89 12.328,90 48.043,91 18.097,92 0.293,93 1.556,94 31.345,95 10.865,96 31.484,97 16.247,98 0.427,99 1.634,100 34.556,101 10.728,102 40.763,103 16.513,104 11,105 44,106 0.238,107 0.53,108 0.718,109 0.807,110 0.82,111 0.82,112 3.408,113 0.972,114 -4.06,115 -4,116 -3.79,120 39,122 1,125 2,126 6,129 1,143 8,144 2,145 2,159 1,174 8,176 1,177 7,180 1,182 3,185 8,188 1,189 6,194 4,197 4,200 1,201 9,204 1,206 4,209 4,214 5,222 9,226 2,227 4,230 2,235 13,239 1,240 3,247 7,251 1,252 7,260 2,263 1,264 5,267 1,274 1533,275 19.828,276 19.828,277 19.828,278 19.828,279 19.828,280 18.335,281 30.665,282 11.84,283 20.342,284 15.794,285 15.794,286 15.794,287 15.794,288 15.794,289 13.483,290 44.919,291 5.604,292 16.583,293 4.428,294 2.648,295 1.496,296 0.954,297 0.873,298 0.873,299 4.107,306 1,307 1,308 670,309 3.162,313 326.231,317 133.894,320 1.631,321 20.657,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 62,333 310,334 4.477,335 3.811,336 6.852,337 4.213,338 3.248,339 4.001,340 1.309,341 11.36,342 3.137,343 4.139,344 3.143,345 6.223,346 3.78,347 2.804,348 3.713,349 0.883,350 9.161,351 2.742,352 3.826,353 2.93,354 5.913,355 3.559,356 2.602,357 3.092,358 0.86,359 8.142,360 2.48,361 3.561,362 2.885,363 5.581,364 3.437,365 2.519,366 2.792,367 0.8,368 7.117,369 2.31,370 3.507,371 2.673,372 5.339,373 3.226,374 2.258,375 2.519,376 0.8,377 6.95,378 2.176,379 3.032,380 2.192,381 4.827,382 2.733,383 1.762,384 2.151,385 0.213,386 5.081,387 1.703,388 2.882,389 2.102,390 3.978,391 2.505,392 1.575,393 2.021,395 3.348,396 1.477,397 2.58,398 1.654,399 3.756,400 2.398,401 1.437,402 1.582,404 3.076,405 1.366,406 2.52,407 1.474,408 3.679,409 2.225,410 1.285,411 1.505,413 3.058,414 1.2,415 2.5,416 1.313,417 3.64,418 2.026,419 1.07,420 1.5,422 2.479,423 1.012,424 2.358,425 1.256,426 3.472,427 2,428 1,429 1.267,431 2.308,432 1,433 2.165,434 1.191,435 3.414,436 1.952,437 1,438 1.139,440 2.275,441 0.946,442 2,443 1,444 3.247,445 1.907,446 0.914,447 1,449 2.136,450 0.903,451 1.568,452 0.845,453 3.055,454 1.327,455 0.348,456 0.394,458 0.869,459 0.337,460 1.127,461 0.199,462 2.75,463 0.818,464 -0.161,465 -0.196,467 -0.408,468 -0.157,469 13.767,470 0.475,471 0.627,472 0.022,473 34,474 1.172,475 14.5,476 0.5,477 19.5,478 0.672,479 26.417,480 0.911,481 32.433,482 0.55,483 26.469,484 0.913,485 6.896,486 0.238,487 7.235,488 0.249,489 0.097,491 0.305,496 0.844,497 1.583,498 0.879,499 1.257,500 0.616,501 1.095,502 1.314,503 1.016,504 1.024,505 0.862,506 0.712,507 0.884,508 1.036,509 1.191,510 1.042,511 1.086,512 0.822,513 1.063,514 0.959,515 1.038,516 1.037,517 1.048,518 1.268,519 1.047,520 1.001,521 0.967,522 0.951,523 0.966,524 1.326,525 0.957,526 0.96,527 0.823,528 0.944,529 0.889,530 1.306,531 0.916,532 0.903,533 1.208,534 0.991,535 1.108,536 1.031,537 1.069,538 1.169,539 0.959,540 1.066,541 0.923,542 1.324,543 0.959,544 4.5,545 0.107,546 3.333,547 1.875,548 1.711,549 0.979,550 0.566,551 0.464,552 0.439,553 0.203,554 10622,555 23225,556 2.111,557 50.8,559 26,560 1,562 1,565 2,567 1.725,568 2,569 3.379,570 -0.371,572 1,575 85.827,576 1.455,577 3.235,578 4.387,579 4.929,580 5.01,581 5.01,582 2.889,583 4.418,584 4.823,585 3.56,586 1445.34,587 8.435,588 19552.8,590 1,592 1,593 347.076,594 1.314,595 4.8,596 0.141,597 0.004,598 0.076,599 0.04,600 0.041,601 0.025,602 0.015,603 0.012,604 0.012,605 0.006,606 0.371,607 0.5,608 1,609 0.674,610 146.454,611 0.007,612 -0.309,613 0.08,614 -0.123,615 -0.018,616 -0.03,617 -0.096,618 0.158,619 -0.006,620 0.126,621 -0.008,622 0.082,623 -0.05,624 -0.098,625 -0.06,626 -0.07,627 0.013,628 -0.067,629 -0.013,630 -0.024,631 -0.057,632 -0.063,633 0.01,634 -0.064,635 -0.056,636 -0.019,637 0.026,638 0.023,639 -0.034,640 0.033,641 0.044,642 0.151,643 0.042,644 0.093,645 -0.025,646 0.067,647 0.009,648 -0.167,649 -0.019,650 -0.093,651 -0.037,652 -0.067,653 -0.101,654 0.082,655 -0.065,656 0.029,657 -0.111,658 -0.002,659 1.567,660 6.302,661 0.759,662 29.838,663 0.992,664 1.132,665 2.825,666 7.983,667 0.641,668 3.497,669 3.807,670 4.094,671 4.344,672 4.605,673 4.691,674 4.86,675 4.977,676 5.112,677 5.136,678 6.514,679 0.599,680 394.57,681 3.497,682 5.03,683 5.883,684 6.756,685 7.628,686 8.51,687 9.392,688 10.281,689 11.17,690 12.063,691 6.8,694 1,696 1,697 1,698 1,709 8,714 4,716 12,724 1,729 1,732 1,738 59,739 13,740 2,741 32,743 62,744 23,745 12,746 4,747 8,748 1,752 4,753 5,766 1,768 13,769 10,772 1,778 1,782 1,786 1,789 30,790 6,791 1,792 6,797 4,803 0.75,804 2,823 4,827 1,851 1,854 1,855 3,859 2,862 29,869 7,871 1,872 1,874 1,875 3,886 3.4,889 1,890 1,893 14.5,894 10.933,895 6.417,896 3.585,898 2.214,899 1.289,900 0.973,901 6.383,902 9.885,903 3.689,904 4.19,905 4.71,906 5.192,907 5.692,908 5.851,909 6.194,910 6.47,911 6.84,912 7.066,913 1,914 47,915 10.79,917 4.538,918 7.54,919 21.192,921 17.544,924 2.04,925 59.167,928 1,929 341.362,930 129.334,931 27.384,933 36.145,936 129.334,937 377.507,938 27.384,939 16.793,940 23.266,941 75.81,942 58.86,943 18.133,944 11.771,945 329.591,947 341.362,948 156.718,949 36.145,952 317.82,953 48.687,954 11,956 26.391,957 112.316,958 18.011,960 341.362,961 63.529,962 129.334,965 341.362,966 36.731,967 101.976,968 18.011,969 36.145,970 341.362,971 63.529,972 129.334,973 0.577,974 0.341,975 0.182,976 0.1,977 21,978 9,979 0.097,980 6,981 1,982 1.091,983 4.057,984 257.658,985 0.091,986 22,987 130.881,993 20.205,994 9.161,995 4.578,997 63.529,998 16.231,1003 3.906,1005 18.011,1006 534.225,1007 39,1013 13.302,1017 0.1,1020 58.549,1021 66.81,1022 0.247,1023 0.55,1024 0.746,1025 0.838,1026 0.852,1027 0.852,1028 4.934,1029 1.437,1030 5.855,1031 3.348,1032 4.489,1033 4.875,1034 2.198,1035 6.663,1036 4.403,1037 6.088,1038 1.285,1039 7.412,1040 3.076,1041 4.007,1042 4.511,1043 1.031,1044 7.582,1045 3.877,1046 7.366,1047 1.07,1048 9.074,1049 3.058,1050 6.071,1051 6.91,1052 2.131,1053 10.705,1054 5.906,1055 8.677,1056 1,1057 10.802,1058 2.479,1059 6.447,1060 7.394,1061 1.411,1062 12.482,1063 6.246,1064 10.027,1065 1,1066 12.572,1067 2.308,1068 7.955,1069 9.267,1070 2.287,1071 15.127,1072 7.721,1073 11.402,1074 0.914,1075 14.37,1076 2.275,1077 8.733,1078 10.151,1079 1.837,1080 17.257,1081 8.468,1082 12.797,1083 0.348,1084 16.189,1085 2.136,1086 10.015,1087 11.791,1088 2.584,1089 19.75,1090 9.718,1091 3.248,1092 -0.161,1093 18.023,1094 0.869,1095 10.988,1096 12.884,1097 2.336,1098 22.037,1099 10.661,1100 2.804,1101 11.36,1102 19.869,1103 -0.408,1104 12.181,1105 14.404,1106 2.971,1107 24.479,1108 11.823,1109 2.602,1110 9.161,1111 21.725,1112 4.001,1113 13.249,1114 15.613,1115 2.872,1116 26.839,1117 12.861,1118 2.519,1119 8.142,1120 23.589,1121 3.713,1122 14.413,1123 17.069,1124 3.414,1125 29.267,1126 13.993,1127 2.258,1128 7.117,1129 25.46,1130 3.092,1131 15.528,1132 18.345,1133 3.423,1134 31.66,1135 15.077,1136 1.762,1137 6.95,1138 27.338,1139 2.792,1140 16.685,1141 19.765,1142 3.892,1143 34.085,1144 16.202,1145 1.575,1146 5.081,1147 29.22,1148 2.519,1149 17.825,1150 21.08,1151 3.977,1152 36.496,1153 17.309,1154 10115,1155 15067,1156 21.671,1157 37.83,1158 48.107,1159 48.887,1160 48.956,1161 47.712,1162 47.646,1163 57.353,1164 9.731,1165 134.717,1166 45.574,1167 5.477,1168 5.811,1169 6.654,1170 5.316,1171 5.248,1172 7.001,1173 2.416,1174 18.977,1175 5.137,1176 12.224,1177 1.503,1178 1.528,1179 1.53,1180 1.491,1181 1.489,1182 1.792,1183 0.304,1184 4.21,1185 1.424,1186 4.042,1187 4.08,1188 3.991,1189 3.941,1190 7.428,1191 3.947,1192 3.878,1193 3.911,1194 3.819,1195 3.811,1196 4.799,1197 3.808,1198 3.814,1199 3.876,1200 3.692,1201 3.611,1202 4.694,1203 3.621,1204 3.589,1205 3.653,1206 3.476,1207 3.399,1208 4.626,1209 3.408,1210 3.45,1211 3.533,1212 3.289,1213 3.242,1214 4.248,1215 3.242,1216 3.284,1217 3.346,1218 3.152,1219 3.08,1220 4.12,1221 3.089,1222 3.111,1223 3.206,1224 2.962,1225 2.941,1226 3.994,1227 2.91,1228 3.066,1229 3.119,1230 2.866,1231 2.87,1232 3.732,1233 2.88,1234 0.14,1235 0.119,1236 0.214,1237 0.132,1238 0.101,1239 4.477,1240 0.125,1241 3.811,1242 0.041,1243 6.852,1244 0.355,1245 4.213,1246 0.098,1247 3.248,1248 4.001,1249 1.309,1250 11.36,1251 3.137,1252 1.979,1253 1.949,1254 2.077,1255 2.104,1256 1.319,1257 2.097,1258 1.873,1259 1.846,1260 1.987,1261 1.99,1262 1.22,1263 1.991,1264 1.757,1265 1.693,1266 1.972,1267 1.969,1268 1.094,1269 1.974,1270 1.553,1271 1.49,1272 1.799,1273 1.768,1274 1.065,1275 1.782,1276 1.428,1277 1.343,1278 1.723,1279 1.669,1280 0.831,1281 1.693,1282 1.24,1283 1.177,1284 1.513,1285 1.478,1286 0.825,1287 1.481,1288 1.153,1289 1.064,1290 1.464,1291 1.376,1292 0.641,1293 1.429,1294 1,1295 0.952,1296 1.417,1297 1.252,1298 0.469,1299 1.308,1300 4.174,1302 5.485,1304 7.006,1306 8.624,1308 10.294,1310 4.067,1315 6.215,1317 3.589,1318 5.434,1320 -0.154,1321 6.478,1326 35.364,1327 85.827,1328 190.837,1329 258.811,1330 290.811,1331 295.566,1332 295.566,1333 46.297,1334 7.67,1335 48.05,1336 48.05,1337 24,1338 12.591,1339 3.807,1340 3,1341 44.44,1342 107,1343 125,1344 0.193,1345 216.499,1346 378.32,1347 520.017,1348 23124,1350 20.217,1351 0.697,1352 0.597,1353 20.217,1354 17.304,1355 14.131,1356 0.442,1357 0.324,1358 10.205,1359 13.55,1360 9.927,1361 8.214,1362 14.131,1363 10.372,1364 12.485,1365 0.284,1366 0.179,1367 12.485,1368 7.885,1369 10.683,1370 0.181,1371 0.097,1372 10.683,1373 5.725,1374 8.83,1375 0.116,1376 0.053,1377 8.83,1378 4.031,1379 7.231,1380 0.073,1381 0.029,1382 7.231,1383 2.836,1384 0.299,1385 88.666,1386 0.215,1387 27.424,1388 0.544,1389 152,1390 390.739,1391 165.78,1392 374.382,1393 515.48,1394 354,1395 179,1396 374.639,1397 194.585,1398 381.738,1399 561.62,1400 358,1401 5.696}
{0 CHEMBL1308088,1 1.311,2 5.667,3 2.607,4 6.794,5 60.758,6 7.77,7 0.941,8 3.339,9 3.455,10 2.964,11 3.015,12 4.501,13 2.985,14 3.78,15 3.911,16 3.315,17 3.393,18 4.881,19 3.345,20 4.019,21 4.205,22 3.387,23 3.476,24 5.101,25 3.416,26 3.989,27 4.198,28 3.178,29 3.342,30 5.106,31 3.255,32 3.873,33 4.117,34 2.773,35 3.153,36 4.86,37 3.012,38 3.608,39 3.889,40 2.192,41 2.806,42 4.403,43 2.592,44 3.143,45 3.468,46 1.406,47 2.199,48 3.761,49 1.925,50 2.311,51 2.68,52 0.321,53 1.222,54 2.708,55 0.904,56 0.027,57 0.34,58 4.47,59 1.986,60 5.686,61 2.571,62 0.024,63 0.525,64 7.238,65 3.375,66 4.757,67 4.478,68 0.059,69 0.693,70 10.502,71 4.331,72 10.126,73 5.833,74 0.111,75 0.699,76 10.657,77 4.04,78 17.879,79 5.406,80 0.094,81 0.6,82 10.225,83 3.878,84 17.385,85 5.265,86 0.05,87 0.423,88 8.475,89 3.593,90 11.715,91 5.092,92 0.029,93 0.254,94 5.802,95 2.459,96 7.227,97 3.575,98 0.016,99 0.105,100 2.696,101 1.08,102 3.467,103 1.602,104 2,105 24,106 0.256,107 0.484,108 0.578,109 0.703,110 0.734,111 0.734,112 2.799,113 0.863,114 -3.67,115 -3.64,116 -3.46,120 52,143 8,144 2,145 1,147 2,164 1,165 1,166 1,174 8,177 4,182 2,185 9,187 2,189 4,194 2,197 6,199 2,201 2,203 1,204 1,206 4,209 6,211 4,219 2,222 8,224 2,235 6,247 2,274 142,275 10.414,276 10.414,277 10.414,278 10.414,279 10.414,280 8.539,281 3.162,282 6.183,283 10.479,284 8.4,285 8.4,286 8.4,287 8.4,288 8.4,289 5.668,290 2.5,291 2.924,292 8.526,293 3.333,294 2.16,295 1.68,296 1.04,297 0.88,298 0.88,299 3.476,306 1,307 1,308 189,309 1.581,313 70.902,317 78.581,320 0.889,321 7.363,324 1,325 0.67,326 0.83,327 0.6,329 1,330 1,331 0.73,332 31,333 85,334 4.679,335 3.23,336 6.769,337 4.185,338 3.203,339 4.717,341 11.036,342 3.144,343 4.032,344 2.532,345 5.982,346 3.524,347 2.532,348 3.798,350 8.37,351 2.512,352 3.537,353 2.14,354 5.279,355 3.048,356 2.087,357 3,359 6.329,360 2.003,361 3.015,362 1.522,363 4.116,364 2.509,365 1.518,366 2.27,368 3.329,369 1.502,370 2.847,371 1.347,372 3.757,373 2.345,374 1.347,375 2.021,377 3.225,378 1.343,379 2.747,380 1.247,381 3.594,382 2.242,383 1.247,384 1.87,386 2.902,387 1.24,388 2.188,389 0.847,390 3.39,391 1.744,392 0.764,393 1.062,395 1.804,396 0.748,397 1.423,398 0.068,399 2.843,400 0.95,406 1.055,407 -0.445,408 2.404,409 0.538,410 -0.445,411 -0.668,413 -1.091,414 -0.436,415 0.621,416 -0.763,417 2,418 0.139,419 -0.84,420 -1.149,422 -1.977,423 -0.82,424 0.569,425 -0.879,426 2,427 0.117,428 -0.879,429 -1.319,431 -2.123,432 -0.876,433 0.291,434 -1.202,435 1.541,436 -0.219,437 -1.205,438 -1.8,440 -3.218,441 -1.189,442 -0.201,443 -1.442,444 1.455,445 -0.556,446 -1.528,447 -2.099,449 -4.317,450 -1.488,451 -0.302,452 -1.802,453 1.184,454 -0.825,455 -1.802,456 -2.703,458 -5.194,459 -1.735,460 -0.5,461 -2,462 1.048,463 -1,464 -2,465 -3,467 -5.661,468 -1.947,469 7.3,470 0.487,471 0.312,472 0.021,473 23.75,474 1.583,475 14.5,476 0.967,477 9.25,478 0.617,479 7.213,480 0.481,481 14.3,482 0.572,483 13.445,484 0.896,485 4.748,486 0.317,487 2.612,488 0.174,489 0.055,491 0.342,496 1.075,497 0.857,498 0.762,499 0.733,500 1.255,501 0.723,502 0.727,503 1.127,504 0.8,505 0.988,506 0.716,507 0.917,508 1.06,509 1.184,510 0.862,511 0.979,512 0.838,513 0.918,514 1.432,515 1.129,516 1.161,517 1.077,518 1.249,519 1.092,520 1.538,521 0.923,522 1.308,523 1.051,524 1.532,525 1.138,526 0.625,527 0.871,528 1.133,529 1.124,530 0.9,531 1.164,532 0.247,533 0.814,534 0.945,535 1.052,536 0.478,537 1.058,538 0.197,539 0.652,540 0.756,541 0.841,542 0.382,543 0.846,544 2,546 1.778,547 1.188,548 1.08,549 0.236,550 0.078,554 1569,555 3720,556 2.186,557 40,559 8,562 2,567 1.537,568 2.093,569 2.568,570 0.366,574 1,575 32.771,576 1.311,577 2.484,578 2.964,579 3.604,580 3.764,581 3.764,582 1.933,583 3.107,584 3.886,585 2.554,586 268.133,587 6.537,588 2131.14,590 1,593 116.096,594 1.231,595 3.859,596 0.118,598 0.074,599 0.047,600 0.057,601 0.02,602 0.013,606 0.329,607 1,608 1,609 0.521,610 56.365,611 -0.15,612 0.148,613 0.021,614 0.13,615 -0.3,616 0.098,617 0.042,618 -0.179,619 0.009,620 -0.097,621 -0.036,622 -0.057,623 0.023,624 -0.191,625 0.05,626 -0.068,627 0.099,628 -0.019,629 -0.061,630 -0.079,631 -0.212,632 -0.181,633 0.03,634 -0.204,635 -0.365,636 0.079,637 -0.313,638 -0.096,639 -0.312,640 -0.179,641 -0.023,642 -0.016,643 -0.079,644 -0.061,645 -0.091,646 -0.072,647 0.215,648 -0.013,649 0.202,650 0.087,651 0.149,652 0.132,653 0.354,654 0.146,655 0.519,656 0.366,657 0.33,658 0.439,659 0.851,660 2.115,661 0.933,662 6.373,663 0.99,664 1.106,665 2.438,666 5.945,667 0.722,668 2.89,669 3.219,670 3.555,671 3.85,672 4.111,673 4.111,674 4.174,675 4.205,676 4.205,677 3.807,678 3.459,679 0.686,680 194.25,681 2.89,682 4.419,683 5.293,684 6.184,685 7.076,686 7.974,687 8.871,688 9.771,689 10.669,690 11.57,691 8,695 1,701 1,708 4,709 8,710 1,714 1,716 16,728 1,738 25,739 16,740 2,741 17,743 27,744 13,745 13,746 4,747 8,752 3,753 6,768 13,786 1,789 10,790 2,791 2,792 2,797 2,803 0.333,816 1,823 3,827 2,855 1,862 15,863 1,893 7.167,894 4.45,895 3.278,896 1.433,898 3.539,899 1.555,900 1.084,901 1.701,902 9.91,903 3.258,904 3.98,905 4.712,906 5.411,907 6.09,908 6.483,909 6.956,910 7.403,911 7.808,912 7.777,913 0.75,914 25,915 5.501,916 -0.001,917 2.36,918 7.589,919 10.607,921 8.873,924 2.089,925 31.333,926 0.005,929 94.169,930 88.001,931 49.683,936 88.001,937 94.169,938 49.683,941 108.707,942 16.786,943 12.191,945 94.169,947 94.169,948 137.684,952 94.169,956 4.288,957 116.61,958 16.786,960 94.169,961 49.683,962 88.001,965 94.169,966 12.191,967 75.81,969 49.683,970 94.169,971 49.683,972 88.001,973 0.58,974 0.358,975 0.208,976 0.115,977 14,978 5,981 2,982 1.286,983 2.744,984 106.595,985 0.286,986 14,987 46.603,993 8.392,994 3.041,995 1.192,996 3.954,997 49.683,998 15.891,999 4.559,1003 0.816,1005 32.897,1006 231.852,1007 25,1020 24.738,1021 27.657,1022 0.282,1023 0.535,1024 0.638,1025 0.776,1026 0.811,1027 0.811,1028 4.454,1030 5.273,1031 1.804,1032 3.892,1033 4.663,1035 6.12,1036 3.859,1037 5.7,1038 -0.445,1039 6.849,1041 3.434,1042 4.559,1044 7.091,1045 3.374,1046 7.034,1047 -0.84,1048 8.534,1049 -1.091,1050 5.501,1051 7.068,1053 10.251,1054 5.434,1055 8.415,1056 -0.879,1057 10.285,1058 -1.977,1059 5.916,1060 7.844,1062 12.062,1063 5.821,1064 9.83,1065 -1.205,1066 12.078,1067 -2.123,1068 7.434,1069 9.781,1071 14.733,1072 7.331,1073 11.271,1074 -1.528,1075 13.897,1076 -3.218,1077 8.26,1078 10.972,1080 16.874,1081 8.13,1082 12.734,1083 -1.802,1084 15.736,1085 -4.317,1086 9.554,1087 12.674,1089 19.377,1090 9.414,1091 3.203,1092 -2,1093 17.588,1094 -5.194,1095 10.567,1096 14.059,1098 21.66,1099 10.403,1100 2.532,1101 11.036,1102 19.45,1103 -5.661,1104 11.774,1105 15.663,1107 24.1,1108 11.595,1109 2.087,1110 8.37,1111 21.32,1112 4.717,1113 12.87,1114 17.137,1116 26.445,1117 12.669,1118 1.518,1119 6.329,1120 23.196,1121 3.798,1122 14.045,1123 18.704,1125 28.861,1126 13.827,1127 1.347,1128 3.329,1129 25.077,1130 3,1131 15.178,1132 20.218,1134 31.236,1135 14.938,1136 1.247,1137 3.225,1138 26.963,1139 2.27,1140 16.343,1141 21.771,1143 33.642,1144 16.085,1145 0.764,1146 2.902,1147 28.852,1148 2.021,1149 17.491,1150 23.304,1152 36.03,1153 17.214,1154 1532,1155 2424,1156 11.731,1157 18.057,1158 25.502,1159 25.49,1160 26.284,1161 25.44,1162 25.399,1163 37.476,1165 73.989,1166 24.983,1167 5.179,1168 5.23,1169 6.454,1170 5.226,1171 5.203,1172 7.717,1174 18.567,1175 5.144,1176 3.991,1177 1.5,1178 1.499,1179 1.546,1180 1.496,1181 1.494,1182 2.204,1184 4.352,1185 1.47,1186 4.149,1187 4.175,1188 4.119,1189 4.086,1190 5.184,1191 4.091,1192 3.758,1193 3.788,1194 3.686,1195 3.707,1196 4.818,1197 3.698,1198 3.258,1199 3.329,1200 3.152,1201 3.13,1202 4.615,1203 3.128,1204 3.084,1205 3.147,1206 3.004,1207 2.931,1208 4.147,1209 2.941,1210 2.786,1211 2.856,1212 2.628,1213 2.674,1214 3.73,1215 2.655,1216 2.676,1217 2.806,1218 2.457,1219 2.485,1220 3.583,1221 2.473,1222 2.559,1223 2.608,1224 2.437,1225 2.313,1226 3.275,1227 2.329,1228 1.905,1229 2.027,1230 1.691,1231 1.586,1232 2.923,1233 1.594,1234 0.275,1235 0.19,1236 0.398,1237 0.246,1238 0.188,1239 4.679,1240 0.277,1241 3.23,1243 6.769,1244 0.649,1245 4.185,1246 0.185,1247 3.203,1248 4.717,1250 11.036,1251 3.144,1252 2.113,1253 2.091,1254 2.174,1255 2.191,1256 1.299,1257 2.188,1258 1.772,1259 1.744,1260 1.902,1261 1.849,1262 0.978,1263 1.869,1264 1.237,1265 1.186,1266 1.431,1267 1.448,1268 0.447,1269 1.45,1270 1.046,1271 0.991,1272 1.233,1273 1.237,1274 0.26,1275 1.238,1276 0.817,1277 0.754,1278 1.109,1279 0.991,1280 0.165,1281 1.035,1282 0.62,1283 0.538,1284 1.023,1285 0.985,1287 1.013,1288 0.581,1289 0.476,1290 0.821,1291 0.715,1293 0.754,1296 0.355,1297 0.218,1299 0.259,1300 3.555,1302 4.875,1304 6.435,1306 8.104,1308 9.827,1313 6.115,1326 17.15,1327 32.771,1328 62.096,1329 74.096,1330 90.096,1331 94.096,1332 94.096,1333 13.992,1334 6.372,1335 38.91,1336 38.91,1337 18,1338 12.092,1339 4.087,1340 3.17,1341 19.787,1342 34,1343 20,1344 0.336,1345 106.388,1346 167.2,1347 251.346,1348 4073,1350 10.251,1351 0.683,1352 0.543,1353 10.251,1354 8.143,1355 7.36,1356 0.433,1357 0.288,1358 4.866,1359 7.266,1360 4.754,1361 3.953,1362 7.36,1363 4.891,1364 6.512,1365 0.271,1366 0.148,1367 6.512,1368 3.56,1369 5.892,1370 0.173,1371 0.077,1372 5.892,1373 2.629,1374 5.149,1375 0.112,1376 0.041,1377 5.149,1378 1.873,1379 4.302,1380 0.072,1381 0.022,1382 4.302,1383 1.302,1384 0.482,1385 44.858,1386 0.292,1387 14.609,1388 1.061,1389 82,1390 190.957,1391 85.081,1392 197.442,1393 283.91,1394 186,1395 99,1396 221.662,1397 102.497,1398 229.558,1399 338.14,1400 218,1401 4.384}
{0 CHEMBL1308576,1 1.645,2 9.318,3 4.168,4 17.375,5 96.062,6 8.168,7 0.522,8 3.781,9 3.897,10 3.425,11 3.368,12 4.853,13 3.312,14 4.287,15 4.459,16 3.754,17 3.7,18 5.307,19 3.619,20 4.482,21 4.682,22 3.794,23 3.86,24 5.43,25 3.709,26 4.556,27 4.799,28 3.733,29 3.834,30 5.443,31 3.644,32 4.503,33 4.74,34 3.838,35 3.803,36 5.471,37 3.647,38 4.443,39 4.628,40 3.768,41 3.864,42 5.441,43 3.696,44 4.58,45 4.818,46 3.754,47 3.84,48 5.521,49 3.652,50 4.441,51 4.688,52 3.399,53 3.659,54 5.313,55 3.494,56 0.017,57 0.549,58 7.712,59 3.686,60 6.296,61 4.821,62 0.207,63 0.889,64 16.592,65 5.927,66 19.537,67 7.704,68 0.212,69 1.056,70 23.413,71 8.372,72 23.142,73 10.606,74 0.199,75 1.161,76 30.027,77 9.801,78 28.336,79 11.878,80 0.34,81 1.109,82 28.639,83 9.135,84 33.834,85 10.721,86 0.133,87 1.045,88 24.08,89 8.983,90 24.047,91 10.582,92 0.253,93 1.102,94 32.818,95 10.497,96 37.463,97 12.586,98 0.167,99 0.893,100 21.869,101 8.444,102 25.617,103 11.002,104 13,105 29,106 0.293,107 0.582,108 0.737,109 0.826,110 0.838,111 0.838,112 3.146,113 1.02,114 -4.76,115 -4.67,116 -4.39,120 41.5,125 1,126 3,143 9,144 1,145 2,160 1,174 8,177 1,180 1,182 2,185 10,188 1,189 2,194 2,197 7,201 4,206 1,214 4,217 1,219 3,227 2,232 2,235 2,240 5,245 1,247 6,252 3,260 8,271 7,274 752,275 14.922,276 14.922,277 14.922,278 14.922,279 14.922,280 13.265,281 17.484,282 9.35,283 15.49,284 11.343,285 11.343,286 11.343,287 11.343,288 11.343,289 8.957,290 22,291 4.457,292 12.245,293 3.712,294 2.088,295 1.22,296 0.72,297 0.653,298 0.653,299 3.809,303 1,306 1,307 1,308 421,309 3.536,313 168.54,320 1.409,321 12.791,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.333,333 205,334 4.104,335 3.895,336 6.086,337 3.781,338 2.868,339 3.635,340 1.807,341 8.858,342 2.641,343 3.958,344 2.942,345 5.433,346 3.549,347 2.589,348 3.467,349 0.86,350 7.237,351 2.485,352 3.764,353 2.811,354 5.256,355 3.332,356 2.384,357 3.067,358 0.733,359 6.626,360 2.224,361 3.365,362 2.423,363 4.888,364 2.947,365 2.053,366 2.622,367 0.167,368 5.676,369 1.755,370 2.922,371 2.313,372 4.079,373 2.466,374 1.564,375 2.077,377 3.576,378 1.451,379 2.695,380 1.973,381 3.603,382 2.431,383 1.474,384 1.681,386 3.054,387 1.347,388 2.5,389 1.489,390 3.414,391 2,392 1.033,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.305,400 2,401 1,402 1.5,404 2.186,405 1,406 2.214,407 1,408 3.247,409 1.9,410 1,411 1.158,413 2.136,414 0.883,415 1.4,416 0.825,417 2.749,418 1.137,419 0.228,420 0.238,422 0.389,423 0.204,424 1.291,425 0.624,426 2.515,427 0.927,428 0.07,429 0.086,431 0.158,432 0.053,433 0.857,434 0.247,435 2,436 0.542,437 -0.395,438 -0.455,440 -0.82,441 -0.358,442 0.698,443 0.024,444 1.954,445 0.123,446 -0.674,447 -0.848,449 -1.608,450 -0.473,451 0.5,452 -0.455,453 1.649,455 -1,456 -1.142,458 -1.985,459 -0.895,460 0.5,461 -0.746,462 1.555,464 -1,465 -1.5,467 -2.347,468 -1,469 11.181,470 0.508,471 0.4,472 0.018,473 27,474 1.227,475 13.5,476 0.614,477 13.5,478 0.614,479 16.927,480 0.769,481 23.619,482 0.576,483 18.541,484 0.843,485 5.747,486 0.261,487 4.939,488 0.224,489 0.183,491 0.215,496 0.84,497 1.265,498 0.598,499 0.88,500 0.698,501 0.921,502 1.326,503 1.063,504 0.72,505 0.804,506 0.874,507 0.884,508 0.97,509 1.14,510 1.006,511 1.008,512 0.987,513 1.081,514 0.91,515 1.13,516 1.098,517 1.108,518 1.037,519 1.006,520 0.928,521 0.877,522 0.914,523 0.947,524 0.817,525 0.778,526 0.965,527 1.208,528 1.154,529 1.271,530 1.084,531 1.173,532 0.862,533 0.995,534 0.891,535 1.088,536 0.899,537 1.016,538 0.972,539 0.87,540 0.667,541 0.831,542 0.822,543 0.953,544 4,545 0.078,546 1.778,547 0.938,548 1.133,549 0.458,550 0.345,551 0.264,552 0.115,553 0.124,554 4751,555 14504,556 1.995,557 46.3,559 18,562 1,567 1.649,568 1.886,569 3.207,570 -0.31,572 1,575 67.462,576 1.645,577 3.27,578 4.137,579 4.638,580 4.705,581 4.705,582 2.681,583 3.88,584 4.429,585 3.348,586 773.36,587 7.629,588 8826.83,590 1,592 1,593 219.66,594 1.293,595 4.398,596 0.174,597 0.01,598 0.061,599 0.033,600 0.045,601 0.016,602 0.013,603 0.011,604 0.006,605 0.009,606 0.379,607 0.5,608 1,609 1.203,610 101.954,611 -0.021,612 -0.17,613 0.014,614 -0.059,615 -0.045,616 -0.025,617 -0.11,618 0.001,619 0.015,620 0.04,621 -0.027,622 0.006,623 -0.05,624 -0.101,625 -0.094,626 -0.072,627 -0.109,628 -0.137,629 -0.072,630 -0.068,631 -0.058,632 -0.046,633 -0.086,634 -0.028,635 0.097,636 0.222,637 0.099,638 0.152,639 0.18,640 0.189,641 -0.116,642 -0.135,643 -0.166,644 -0.176,645 -0.118,646 -0.196,647 0.047,648 -0.019,649 0.045,650 -0.048,651 0.072,652 -0.024,653 -0.028,654 -0.007,655 0.044,656 0.031,658 0.024,659 0.997,660 1.862,661 0.545,662 18.033,663 0.997,664 1.117,665 3.526,666 12.435,667 0.703,668 3.178,669 3.401,670 3.555,671 3.714,672 3.912,673 3.761,674 3.784,675 3.807,676 3.714,677 3.611,678 5.691,679 0.647,680 334.9,681 3.178,682 4.654,683 5.442,684 6.263,685 7.074,686 7.901,687 8.72,688 9.549,689 10.373,690 11.203,691 4.9,698 2,709 9,714 3,716 12,737 1,738 41,739 13,740 2,741 23,743 42,744 17,745 12,746 3,747 9,752 2,753 2,754 1,757 1,768 13,769 4,772 1,779 1,782 1,786 1,789 19,790 3,791 1,792 5,793 2,797 2,803 1,804 1,823 2,854 1,855 2,857 1,859 1,860 1,862 22,869 3,871 1,872 1,875 1,885 1,886 2.4,890 1,893 11.667,894 7.426,895 5.111,896 2.244,898 1.861,899 1.3,900 0.949,901 6.964,902 8.053,903 3.434,904 3.912,905 4.331,906 4.771,907 5.254,908 5.019,909 5.175,910 5.381,911 5.416,912 5.469,913 1,914 28,915 8.061,917 3.17,918 7.634,919 15.508,921 11.869,924 2.134,925 46.944,928 1,929 211.88,930 159.893,931 21.135,932 39.149,933 11,935 45.192,936 114.701,937 262.028,938 21.135,939 10.883,940 29.939,941 85.286,942 11,943 9.443,944 0.285,945 211.88,946 84.341,947 211.88,948 135.836,949 11,950 84.341,952 211.88,954 11,956 29.939,957 105.897,958 39.149,959 45.192,960 211.88,961 32.135,962 199.041,965 211.88,966 18.531,967 99.294,968 18.011,969 95.341,970 211.88,971 32.135,972 199.041,973 0.553,974 0.305,975 0.158,976 0.096,977 11,978 5,979 0.143,980 6,982 1,983 3.469,984 155.138,986 12,987 90.107,990 1,993 17.061,994 8.979,995 5.789,997 32.135,998 17.728,1003 2.834,1005 18.011,1006 443.056,1007 30,1014 5.529,1017 0.67,1020 40.883,1021 45.807,1022 0.307,1023 0.61,1024 0.772,1025 0.866,1026 0.878,1027 0.878,1028 4.605,1029 1,1030 5.371,1031 2.275,1032 4.078,1033 4.595,1034 2.209,1035 6.052,1036 3.938,1037 5.751,1038 1,1039 6.847,1040 2.186,1041 3.434,1042 4.086,1043 1.404,1044 6.676,1045 3.117,1046 6.999,1047 0.228,1048 8.42,1049 2.136,1050 5.541,1051 6.611,1052 2.838,1053 9.717,1054 5.279,1055 8.278,1056 0.07,1057 10.051,1058 0.389,1059 5.707,1060 6.85,1061 2.721,1062 11.163,1063 5.26,1064 9.585,1065 -0.395,1066 11.719,1067 0.158,1068 7.255,1069 8.872,1070 3.781,1071 13.685,1072 6.866,1073 10.911,1074 -0.674,1075 13.413,1076 -0.82,1077 7.821,1078 9.471,1079 3.996,1080 15.493,1081 7.26,1082 12.251,1083 -1,1084 15.125,1085 -1.608,1086 9.106,1087 11.244,1088 4.857,1089 17.812,1090 8.578,1091 2.868,1092 -1,1093 16.851,1094 -1.985,1095 9.886,1096 12.052,1097 5.238,1098 19.8,1099 9.203,1100 2.589,1101 8.858,1102 18.587,1103 -2.347,1104 11.04,1105 13.675,1106 5.986,1107 22.034,1108 10.362,1109 2.384,1110 7.237,1111 20.333,1112 3.635,1113 11.936,1114 14.619,1115 6.458,1116 24.113,1117 11.121,1118 2.053,1119 6.626,1120 22.085,1121 3.467,1122 13.026,1123 16.141,1124 7.14,1125 26.312,1126 12.19,1127 1.564,1128 5.676,1129 23.844,1130 3.067,1131 13.986,1132 17.181,1133 7.662,1134 28.438,1135 13.029,1136 1.474,1137 3.576,1138 25.608,1139 2.622,1140 15.046,1141 18.631,1142 8.307,1143 30.623,1144 14.048,1145 1.033,1146 3.054,1147 27.377,1148 2.077,1149 16.042,1150 19.739,1151 8.858,1152 32.774,1153 14.933,1154 4811,1155 8510,1156 15.197,1157 28.824,1158 32.757,1159 34.213,1160 33.686,1161 32.66,1162 32.525,1163 42.062,1164 7.134,1165 84.344,1166 30.085,1167 5.006,1168 5.895,1169 5.946,1170 4.815,1171 4.868,1172 6.635,1173 3.186,1174 15.139,1175 4.641,1176 10.196,1177 1.424,1178 1.488,1179 1.465,1180 1.42,1181 1.414,1182 1.829,1183 0.31,1184 3.667,1185 1.308,1186 3.952,1187 3.988,1188 4.036,1189 3.879,1190 4.973,1191 3.871,1192 3.883,1193 3.912,1194 3.91,1195 3.828,1196 4.818,1197 3.819,1198 3.642,1199 3.695,1200 3.788,1201 3.494,1202 4.727,1203 3.47,1204 3.364,1205 3.414,1206 3.388,1207 3.187,1208 4.618,1209 3.153,1210 3.11,1211 3.176,1212 3.298,1213 2.974,1214 4.304,1215 2.951,1216 3.002,1217 3.096,1218 3.031,1219 2.802,1220 3.889,1221 2.779,1222 2.854,1223 2.925,1224 2.756,1225 2.746,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.178,1235 0.169,1236 0.265,1237 0.164,1238 0.125,1239 4.104,1240 0.158,1241 3.895,1242 0.079,1243 6.086,1244 0.385,1245 3.781,1246 0.115,1247 2.868,1248 3.635,1249 1.807,1250 8.858,1251 2.641,1252 1.918,1253 1.887,1254 2.044,1255 2.018,1256 1.198,1257 2.029,1258 1.878,1259 1.853,1260 1.968,1261 1.961,1262 1.061,1263 1.974,1264 1.583,1265 1.528,1266 1.802,1267 1.809,1268 1.019,1269 1.814,1270 1.283,1271 1.233,1272 1.564,1273 1.552,1274 0.663,1275 1.563,1276 1.066,1277 1.017,1278 1.407,1279 1.295,1280 0.548,1281 1.341,1282 1.039,1283 0.943,1284 1.181,1285 1.243,1286 0.268,1287 1.269,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.177,1297 1.062,1298 0.218,1299 1.107,1300 3.85,1302 5.094,1304 6.526,1306 8.041,1308 9.597,1310 1.691,1311 5.899,1315 2.087,1317 3.242,1318 5.18,1321 2.086,1326 26.513,1327 67.462,1328 134.072,1329 169.621,1330 190.15,1331 192.905,1332 192.905,1333 31.98,1334 6.192,1335 24.5,1336 56.59,1337 12,1338 11.777,1339 3.807,1340 3,1341 42.015,1342 71,1343 78,1344 0.275,1345 175.61,1346 302.17,1347 420.249,1348 3265,1349 2.4,1350 15.786,1351 0.718,1352 0.638,1353 16.786,1354 14.032,1355 10.686,1356 0.465,1357 0.34,1358 7.005,1359 9.812,1360 6.727,1361 5.621,1362 11.263,1363 7.818,1364 8.981,1365 0.31,1366 0.195,1367 9.76,1368 5.66,1369 6.935,1370 0.204,1371 0.111,1372 7.577,1373 3.777,1374 5.235,1375 0.131,1376 0.06,1377 5.72,1378 2.393,1379 4.37,1380 0.089,1381 0.034,1382 4.878,1383 1.667,1384 0.428,1385 72.368,1386 0.257,1387 21.892,1388 0.766,1389 104,1390 298.777,1391 140.181,1392 343.697,1393 445.59,1394 320,1395 115,1396 274.032,1397 141.658,1398 301.741,1399 430.08,1400 280,1401 4.519}
{0 CHEMBL1308913,1 1.469,2 9.421,3 2.588,4 6.697,5 81.105,6 6.792,7 0.238,8 3.795,9 3.938,10 3.362,11 3.329,12 4.646,13 3.248,14 4.413,15 4.643,16 3.741,17 3.741,18 5.187,19 3.624,20 4.643,21 4.914,22 3.635,23 3.856,24 5.32,25 3.676,26 4.625,27 4.908,28 3.408,29 3.75,30 5.304,31 3.522,32 4.438,33 4.768,34 3.2,35 3.442,36 5.103,37 3.228,38 4.027,39 4.282,40 3.157,41 3.291,42 4.803,43 3.119,44 3.976,45 4.208,46 3.064,47 3.254,48 4.752,49 3.098,50 3.968,51 4.209,52 2.949,53 3.262,54 4.614,55 3.1,56 0.042,57 0.653,58 10.741,59 3.974,60 5.604,61 5.695,62 0.248,63 1.071,64 22.059,65 6.322,66 14.343,67 9.624,68 0.239,69 1.2,70 27.619,71 8.86,72 15.229,73 12.598,74 0.237,75 1.118,76 29.242,77 8.932,78 17.847,79 12.508,80 0.242,81 0.863,82 23.277,83 6.424,84 17.498,85 9.406,86 0.151,87 0.681,88 17.453,89 4.828,90 11.685,91 6.497,92 0.171,93 0.661,94 16.21,95 4.409,96 11.683,97 6.25,98 0.094,99 0.623,100 12.483,101 4.479,102 6.528,103 6.596,104 3,105 28,106 0.265,107 0.492,108 0.703,109 0.797,110 0.814,111 0.814,112 3.009,113 1.165,114 -3.86,115 -3.82,116 -3.62,120 34.1,121 1,122 4,126 5,147 1,153 1,159 1,163 1,174 3,176 2,177 4,185 3,188 1,189 2,197 3,200 1,201 4,209 1,213 1,214 3,227 2,239 1,240 4,264 3,271 1,274 402,275 13.248,276 13.248,277 13.248,278 13.248,279 13.248,280 12.524,281 21.217,282 7.95,283 13.824,284 10.331,285 10.331,286 10.331,287 10.331,288 10.331,289 9.09,290 27.267,291 3.74,292 11.27,293 3.888,294 2.63,295 1.463,296 0.945,297 0.848,298 0.848,299 3.695,305 1,306 1,307 1,308 391,309 2.345,312 39.054,313 112.488,316 76.579,320 1.496,321 8.484,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 40,333 179,334 4.348,335 3.192,336 6.243,337 3.894,338 2.984,339 4.019,340 1.032,341 9.473,342 2.722,343 3.723,344 3.003,345 5.488,346 3.569,347 2.65,348 2.868,349 0.8,350 7.357,351 2.433,352 3.46,353 2.654,354 5.181,355 3.154,356 2.25,357 2.57,358 0.521,359 6.433,360 2.026,361 3.158,362 2.311,363 5.035,364 2.935,365 2.039,366 2.201,368 6.009,369 1.813,370 2.77,371 1.871,372 4.414,373 2.462,374 1.532,375 1.836,377 4.312,378 1.413,379 2.493,380 1.465,381 3.61,382 2.366,383 1.389,384 1.474,386 2.978,387 1.346,388 2.246,389 1.164,390 3.414,391 1.967,392 1,393 1.001,395 2.275,396 0.965,397 2,398 1.146,399 3.229,400 1.698,401 0.768,402 1,404 1.676,405 0.709,406 1.574,407 0.651,408 3,409 1.348,410 0.413,411 0.458,413 0.86,414 0.384,415 1.517,416 0.381,417 2.714,418 1.237,419 0.347,420 0.417,422 0.671,423 0.303,424 0.653,425 -0.194,426 2.277,427 0.545,428 -0.401,429 -0.419,431 -0.816,432 -0.376,433 0.386,434 -0.512,435 2,436 0.188,437 -0.77,438 -0.847,440 -1.839,441 -0.724,442 0.208,443 -0.6,444 2,445 -0.062,446 -1,447 -1,449 -2.625,450 -0.9,451 0.088,452 -0.783,453 1.594,454 -0.1,455 -1,456 -1.114,458 -2.927,459 -0.907,461 -0.878,462 1.586,463 -0.159,464 -1.09,465 -1.179,467 -3,468 -1.026,469 9.433,470 0.496,471 0.324,472 0.017,473 19,474 1,475 6,476 0.316,477 13,478 0.684,479 18.316,480 0.964,481 21.767,482 0.531,483 8.934,484 0.47,485 3.078,486 0.162,487 6.27,488 0.33,489 0.053,491 0.244,496 0.909,497 1.634,498 0.83,499 1.153,500 0.725,501 1.133,502 1.234,503 1.063,504 0.883,505 0.903,506 0.799,507 0.932,508 1.099,509 0.975,510 0.978,511 0.943,512 0.902,513 0.981,514 0.945,515 1.163,516 1.217,517 1.245,518 1.304,519 1.152,520 1.214,521 0.779,522 0.874,523 0.728,524 1.447,525 0.73,526 1.674,527 1.052,528 1.503,529 1.16,530 1.88,531 0.955,532 1.524,533 1.172,534 1.579,535 1.374,536 1.66,537 1.19,538 1.087,539 1.049,540 0.911,541 0.984,542 0.971,543 1.17,544 3.5,545 0.058,546 1.556,547 0.792,548 0.764,549 0.257,550 0.207,551 0.19,552 0.047,553 0.085,554 3762,555 6995,556 2.145,557 53.7,558 4,559 10,561 1,563 4,564 3,567 1.594,568 2.073,569 3.236,570 -0.724,572 1,574 1,575 60.249,576 1.469,577 2.727,578 3.895,579 4.412,580 4.51,581 4.51,582 2.721,583 3.511,584 4.221,585 3.352,586 573.109,587 7.144,588 5779.29,589 1,590 1,592 1,593 219.66,594 1.105,595 4.207,596 0.167,597 0.01,598 0.056,599 0.032,600 0.042,601 0.017,602 0.014,603 0.014,604 0.004,605 0.009,606 0.363,607 0.83,608 1,609 0.671,610 84.093,611 0.08,612 -0.355,613 0.108,614 -0.07,615 0.184,616 -0.033,617 0.078,618 0.084,619 0.111,620 0.079,621 0.192,622 0.054,623 -0.057,624 0.039,625 -0.008,626 0.031,627 0.025,628 -0.003,629 0.009,630 -0.186,631 -0.13,632 -0.197,633 -0.11,634 -0.166,635 0.002,636 0.113,637 0.117,638 0.165,639 -0.063,640 0.17,641 -0.286,642 0.082,643 -0.134,644 0.028,645 -0.339,646 0.036,647 -0.17,649 -0.302,650 -0.219,651 -0.34,652 -0.186,653 -0.203,654 -0.005,655 -0.139,656 -0.082,657 -0.197,658 -0.168,659 0.718,660 1.65,661 0.789,662 13.85,663 0.986,664 1.138,665 2.629,666 6.91,667 0.647,668 3.091,669 3.367,670 3.611,671 3.829,672 4.007,673 3.951,674 3.989,675 4.094,676 4.007,677 4.078,678 5.547,679 0.586,680 278.47,681 3.091,682 4.595,683 5.425,684 6.275,685 7.12,686 7.975,687 8.827,688 9.683,689 10.538,690 11.396,691 9.8,694 2,700 1,701 1,710 1,713 1,714 3,716 5,738 41,739 6,741 21,743 43,744 14,745 3,748 1,752 3,753 4,759 1,763 4,766 4,768 4,769 10,772 1,780 1,781 1,785 1,786 1,789 22,790 4,792 5,793 1,797 4,799 1,803 0.667,822 1,823 2,826 1,851 2,855 2,857 1,859 1,862 19,869 9,875 2,879 1,893 9.167,894 7.55,895 4.278,896 2.929,898 1.479,899 1.225,900 0.975,901 4.363,902 8.054,903 3.239,904 3.695,905 4.188,906 4.664,907 4.957,908 5.184,909 5.399,910 5.658,911 5.664,912 5.825,913 1,914 25,915 7.075,917 2.916,918 7.307,919 14.394,921 12.056,924 1.807,925 34.333,926 0.005,929 258.964,930 74.004,931 39.82,935 31.278,936 42.726,937 258.964,938 39.82,939 8.825,940 20.667,942 37.175,943 26.292,944 1.358,945 278.471,947 258.964,948 82.546,950 31.278,952 223.651,953 35.313,956 55.784,957 9.977,958 16.786,959 31.278,960 258.964,961 39.82,962 74.004,965 258.964,966 56.56,967 23.692,969 33.571,970 258.964,971 39.82,972 74.004,973 0.567,974 0.331,975 0.174,976 0.094,977 14,978 5,979 0.07,980 3,981 1,982 1.133,983 3.335,984 133.676,985 0.133,986 15,987 76.711,989 1,993 13.351,994 6.209,995 3.277,997 39.82,999 4.65,1002 1.783,1003 3.721,1006 372.788,1007 24.5,1015 1.997,1016 4.576,1020 40.436,1021 46.65,1022 0.274,1023 0.509,1024 0.727,1025 0.824,1026 0.842,1027 0.842,1028 4.469,1029 0.768,1030 5.371,1031 2.275,1032 4.043,1033 4.376,1034 1.472,1035 6.107,1036 3.873,1037 5.594,1038 0.413,1039 6.876,1040 1.676,1041 3.434,1042 3.98,1043 0.57,1044 6.823,1045 3.125,1046 6.853,1047 0.347,1048 8.475,1049 0.86,1050 5.565,1051 6.377,1052 1.229,1053 9.869,1054 5.216,1055 8.145,1056 -0.401,1057 10.13,1058 0.671,1059 5.802,1060 6.93,1061 0.612,1062 11.433,1063 5.299,1064 9.476,1065 -0.77,1066 11.82,1067 -0.816,1068 7.347,1069 8.739,1070 1.137,1071 13.955,1072 6.818,1073 10.833,1074 -1,1075 13.535,1076 -1.839,1077 7.996,1078 9.745,1079 0.644,1080 15.892,1081 7.319,1082 12.211,1083 -1,1084 15.269,1085 -2.625,1086 9.281,1087 11.31,1088 1.093,1089 18.231,1090 8.57,1091 2.984,1092 -1.09,1093 17.017,1094 -2.927,1095 10.142,1096 12.53,1097 0.689,1098 20.339,1099 9.295,1100 2.65,1101 9.473,1102 18.777,1103 -3,1104 11.309,1105 13.993,1106 1.073,1107 22.613,1108 10.412,1109 2.25,1110 7.357,1111 20.546,1112 4.019,1113 12.278,1114 15.309,1115 0.743,1116 24.798,1117 11.258,1118 2.039,1119 6.433,1120 22.324,1121 2.868,1122 13.392,1123 16.73,1124 1.068,1125 27.051,1126 12.31,1127 1.532,1128 6.009,1129 24.109,1130 2.57,1131 14.417,1132 18.088,1133 0.8,1134 29.27,1135 13.221,1136 1.389,1137 4.312,1138 25.9,1139 2.201,1140 15.51,1141 19.492,1142 1.073,1143 31.517,1144 14.24,1145 1,1146 2.978,1147 27.696,1148 1.836,1149 16.562,1150 20.868,1151 0.858,1152 33.751,1153 15.188,1154 3608,1155 5054,1156 14.504,1157 26.523,1158 31.247,1159 30.857,1160 31.325,1161 30.785,1162 30.743,1163 35.687,1164 4.707,1165 84.088,1166 28.229,1167 5.348,1168 5.022,1169 5.926,1170 5.019,1171 4.984,1172 6.712,1173 1.954,1174 15.669,1175 4.722,1176 5.644,1177 1.488,1178 1.469,1179 1.492,1180 1.466,1181 1.464,1182 1.699,1183 0.224,1184 4.004,1185 1.344,1186 3.977,1187 4.014,1188 4.256,1189 3.941,1190 4.916,1191 3.887,1192 3.838,1193 3.909,1194 3.731,1195 3.639,1196 4.484,1197 3.649,1198 3.504,1199 3.58,1200 3.451,1201 3.364,1202 4.264,1203 3.329,1204 3.373,1205 3.447,1206 3.264,1207 3.213,1208 3.967,1209 3.187,1210 3.111,1211 3.206,1212 2.958,1213 2.941,1214 3.832,1215 2.91,1216 3.068,1217 3.157,1218 2.874,1219 2.906,1220 3.502,1221 2.873,1222 3.058,1223 3.143,1224 2.866,1225 2.856,1226 3.474,1227 2.858,1228 2.667,1229 2.785,1230 2.468,1231 2.402,1232 3.299,1233 2.395,1234 0.207,1235 0.152,1236 0.297,1237 0.185,1238 0.142,1239 4.348,1240 0.191,1241 3.192,1242 0.049,1243 6.243,1244 0.451,1245 3.894,1246 0.13,1247 2.984,1248 4.019,1249 1.032,1250 9.473,1251 2.722,1252 1.828,1253 1.787,1254 2.018,1255 2.023,1256 1.379,1257 2.022,1258 1.791,1259 1.716,1260 2,1261 1.951,1262 1.305,1263 1.982,1264 1.465,1265 1.396,1266 1.753,1267 1.699,1268 0.936,1269 1.717,1270 1.325,1271 1.272,1272 1.513,1273 1.515,1274 0.825,1275 1.528,1276 1.153,1277 1.064,1278 1.471,1279 1.376,1280 0.767,1281 1.429,1282 1.069,1283 1.009,1284 1.364,1285 1.309,1286 0.544,1287 1.347,1288 1.054,1289 0.979,1290 1.233,1291 1.198,1292 0.427,1293 1.23,1294 0.805,1295 0.723,1296 1.07,1297 1.052,1298 0.23,1299 1.093,1300 3.761,1302 5.043,1303 2.398,1304 6.521,1305 4.727,1306 8.079,1307 6.823,1308 9.678,1310 2.226,1315 10.591,1321 4.791,1326 24.014,1327 60.249,1328 111.811,1329 159.685,1330 180.905,1331 184.905,1332 184.905,1333 21.04,1334 6.575,1335 31.73,1336 59.97,1337 17,1338 11.949,1339 2.807,1340 2.17,1341 28.111,1342 64,1343 63,1344 0.218,1345 152.409,1346 257.37,1347 363.638,1348 5860,1350 13.079,1351 0.688,1352 0.656,1353 13.433,1354 12.455,1355 9.348,1356 0.445,1357 0.388,1358 7.32,1359 8.562,1360 7.076,1361 5.837,1362 9.756,1363 8.157,1364 8.014,1365 0.286,1366 0.227,1367 8.683,1368 6.35,1369 6.866,1370 0.191,1371 0.141,1372 7.638,1373 5.085,1374 5.493,1375 0.122,1376 0.082,1377 6.315,1378 3.708,1379 4.392,1380 0.081,1381 0.049,1382 5.117,1383 2.665,1384 0.348,1385 62.256,1386 0.263,1387 19.417,1388 0.579,1389 98,1390 227.441,1391 132.784,1392 241.737,1393 339.03,1394 230,1395 113,1396 238.602,1397 143.873,1398 256.392,1399 377.84,1400 242,1401 6.796}
{0 CHEMBL1309228,1 1.894,2 12,3 2.395,4 5.737,5 98.294,6 9.839,7 0.567,8 3.867,9 3.921,10 3.788,11 3.429,12 5.181,13 3.434,14 4.358,15 4.433,16 4.058,17 3.759,18 5.98,19 3.778,20 4.531,21 4.643,22 4.083,23 3.814,24 5.959,25 3.827,26 4.596,27 4.711,28 4.121,29 3.722,30 6.087,31 3.778,32 4.533,33 4.653,34 3.987,35 3.564,36 6.369,37 3.647,38 4.342,39 4.485,40 3.78,41 3.384,42 6.003,43 3.428,44 4.125,45 4.251,46 3.629,47 3.234,48 5.81,49 3.298,50 4.09,51 4.218,52 3.483,53 3.231,54 5.492,55 3.262,56 0.287,57 0.614,58 5.915,59 4.117,60 35.733,61 3.364,62 0.746,63 0.907,64 13.223,65 6.643,66 106.96,67 5.844,68 0.877,69 1.046,70 15.211,71 7.303,72 106.284,73 6.398,74 1.025,75 1.066,76 19.322,77 7.408,78 134.989,79 5.642,80 1.285,81 0.935,82 15.612,83 6.006,84 202.529,85 5.013,86 1.026,87 0.768,88 16.343,89 5.67,90 165.832,91 5.3,92 0.804,93 0.643,94 10.519,95 4.214,96 103.845,97 3.858,98 0.716,99 0.629,100 13.339,101 4.541,102 93.958,103 3.248,104 41,105 43,106 0.325,107 0.637,108 0.735,109 0.819,110 0.842,111 0.842,112 3.374,113 0.968,114 -4.77,115 -4.68,116 -4.4,120 41.5,125 1,126 1,143 8,144 2,145 2,159 1,162 2,167 3,174 9,176 5,177 5,185 8,188 2,189 15,197 4,200 3,201 17,213 8,214 11,226 5,227 8,239 4,240 7,247 1,251 2,252 4,260 4,263 5,264 2,271 7,274 1230,275 18.179,276 18.179,277 18.179,278 18.179,279 18.179,280 15.475,281 12.984,282 10.581,283 18.637,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 10.629,290 12.335,291 5.013,292 15.522,293 3.463,294 1.649,295 1.08,296 0.592,297 0.457,298 0.457,299 4.048,306 1,307 1,308 706,309 4.123,312 88.669,313 209.486,320 1.857,321 55.299,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 64.5,333 336,334 4.866,335 5.192,336 7.279,337 4.289,338 3.402,339 4.737,340 2.95,341 12.388,342 3.036,343 4.295,344 3.784,345 6.182,346 3.901,347 2.923,348 3.954,349 2.612,350 9.224,351 2.86,352 4.25,353 3.656,354 6.136,355 3.782,356 2.812,357 3.914,358 1.727,359 8.907,360 2.678,361 3.968,362 2.979,363 5.848,364 3.461,365 2.506,366 3.425,367 0.636,368 7.824,369 2.363,370 3.744,371 2.699,372 5.307,373 3.323,374 2.345,375 3.254,377 6.816,378 2.286,379 3.279,380 2.569,381 4.528,382 2.727,383 1.756,384 2.543,386 4.368,387 1.7,388 3.126,389 2.032,390 4.359,391 2.615,392 1.631,393 2.362,395 4.177,396 1.594,397 2.754,398 1.84,399 4.153,400 2.246,401 1.289,402 1.787,404 3.528,405 1.22,406 2.599,407 1.436,408 3.608,409 2.062,410 1.077,411 1.592,413 2.621,414 1.055,415 2.557,416 1.432,417 3.491,418 2,419 1,420 1.562,422 2.42,423 1,424 2.5,425 1.039,426 3.267,427 2,428 1,429 1.5,431 2.136,432 1,433 2.173,434 1,435 3.247,436 1.668,437 0.682,438 1.012,440 1.669,441 0.671,442 1.686,443 1,444 3.039,445 1.305,446 0.369,447 0.458,449 0.87,450 0.339,451 1.063,452 0.886,453 2.788,454 0.573,455 -0.395,456 -0.529,458 -1.056,459 -0.369,460 1,461 0.676,462 2.392,463 0.343,464 -0.654,465 -0.866,467 -1.512,468 -0.65,469 12.867,470 0.46,471 0.919,472 0.033,473 41.5,474 1.482,475 23.5,476 0.839,477 18,478 0.643,479 17.844,480 0.637,481 30.333,482 0.74,483 34.192,484 1.221,485 8.385,486 0.299,487 4.868,488 0.174,489 0.168,490 0.065,491 0.303,496 0.514,497 1.081,498 0.731,499 1.181,500 0.601,501 0.891,502 0.672,503 1.104,504 0.98,505 1.141,506 0.513,507 0.943,508 1.002,509 1.129,510 0.961,511 1.059,512 0.949,513 1.041,514 1.306,515 1.203,516 1.13,517 1.182,518 1.262,519 1.061,520 1.15,521 0.896,522 0.858,523 0.769,524 1.094,525 0.922,526 0.983,527 0.947,528 0.827,529 0.898,530 1.035,531 0.943,532 0.95,533 0.995,534 0.755,535 0.805,536 0.528,537 0.883,538 1.55,539 0.805,540 1.362,541 0.862,542 1.317,543 0.881,544 7,545 0.165,546 3.778,547 2.097,548 1.739,549 1.195,550 0.463,551 0.278,552 0.302,553 0.221,554 10051,555 40479,556 1.984,557 31.7,559 13,567 1.706,568 1.816,569 3.533,570 -0.601,571 1,572 1,575 77.661,576 1.894,577 3.709,578 4.278,579 4.766,580 4.9,581 4.9,582 2.937,583 4.28,584 4.781,585 3.731,586 1410.27,587 8.289,588 19255.5,590 1,592 1,593 219.66,594 1.678,595 4.706,596 0.233,597 0.007,598 0.088,599 0.05,600 0.042,601 0.032,602 0.017,603 0.011,604 0.013,605 0.009,606 0.502,607 0.17,608 0.88,609 0.92,610 142.616,611 0.134,612 0.072,613 0.178,614 -0.039,615 -0.073,616 -0.005,617 0.173,618 -0.063,619 -0.055,620 -0.07,621 0.221,622 -0.02,623 -0.113,624 -0.138,625 -0.064,626 -0.082,627 -0.115,628 -0.087,629 -0.245,630 -0.204,631 -0.127,632 -0.202,633 -0.233,634 -0.143,635 0.044,636 0.052,637 -0.041,638 0.028,639 0.161,640 -0.049,641 0.124,642 -0.041,643 0.148,644 0.006,645 0.079,646 0.055,647 0.13,648 -0.04,649 0.086,650 0.032,651 0.292,652 0.035,653 -0.422,654 0.177,655 -0.316,656 0.128,657 -0.309,658 0.058,659 4.744,660 5.146,661 0.607,662 27.776,663 1.051,664 1.121,665 3.54,666 12.534,667 0.699,668 3.434,669 3.784,670 3.989,671 4.205,672 4.369,673 4.369,674 4.431,675 4.317,676 4.382,677 4.407,678 7.187,679 0.705,680 403.4,681 3.434,682 4.99,683 5.826,684 6.711,685 7.568,686 8.452,687 9.317,688 10.201,689 11.07,690 11.953,691 7.3,701 2,702 1,709 8,710 2,712 1,714 6,716 17,726 1,731 1,738 41,739 22,740 2,741 30,743 43,744 17,745 14,746 4,747 8,748 1,752 3,753 3,768 15,769 2,772 5,775 1,776 1,778 5,782 1,786 1,789 13,790 9,792 11,793 1,797 3,803 1,804 7,822 1,823 2,855 3,857 1,859 1,862 28,865 1,869 1,872 1,886 17.1,889 3,891 2,892 2,893 15.417,894 7.85,895 6.028,896 2.139,898 3.24,899 1.451,900 0.959,901 5.542,902 10.428,903 3.795,904 4.446,905 4.934,906 5.481,907 5.959,908 6.166,909 6.507,910 6.471,911 6.753,912 6.849,913 0.875,914 42,915 10.631,917 4.952,918 8.432,919 18.468,921 14.837,924 2.932,925 82.083,928 1,929 153.024,930 121.549,931 38.996,933 140.712,935 6.046,936 115.503,937 293.736,938 38.996,939 12.86,940 4.592,941 81.856,942 120.015,943 31.186,945 153.024,946 50.747,947 153.024,948 154.499,949 140.712,950 6.046,952 153.024,953 89.965,954 50.747,956 14.632,957 100.87,958 45.042,960 153.024,961 179.708,962 121.549,964 6.046,965 153.024,966 32.502,967 88.67,969 174.038,970 153.024,971 179.708,972 121.549,973 0.594,974 0.332,975 0.171,976 0.095,977 20,978 10,979 0.163,980 7,982 1,983 3.918,984 232.637,986 17,987 126.606,992 1,993 19.677,994 7.886,995 4.622,997 174.038,998 11.939,999 7.618,1001 5.395,1003 -0.393,1006 454.281,1007 43.5,1010 -0.878,1011 -3.827,1013 57.62,1017 -0.9,1020 43.091,1021 45.957,1022 0.354,1023 0.692,1024 0.798,1025 0.89,1026 0.915,1027 0.915,1028 5.032,1029 1.289,1030 5.861,1031 4.177,1032 4.466,1033 5.133,1034 3.594,1035 6.708,1036 4.372,1037 6.294,1038 1.077,1039 7.456,1040 3.528,1041 4.29,1042 5.247,1043 2.361,1044 7.89,1045 4.075,1046 7.652,1047 1,1048 9.165,1049 2.621,1050 6.146,1051 7.458,1052 5.452,1053 10.904,1054 5.921,1055 9.051,1056 1,1057 10.942,1058 2.42,1059 6.758,1060 8.368,1061 4.506,1062 12.892,1063 6.388,1064 10.482,1065 0.682,1066 12.763,1067 2.136,1068 8.159,1069 10.117,1070 7.47,1071 15.52,1072 7.765,1073 11.938,1074 0.369,1075 14.615,1076 1.669,1077 9.096,1078 11.362,1079 6.556,1080 17.816,1081 8.556,1082 13.413,1083 -0.395,1084 16.49,1085 0.87,1086 10.345,1087 12.956,1088 9.551,1089 20.345,1090 9.753,1091 3.402,1092 -0.654,1093 18.383,1094 -1.056,1095 11.423,1096 14.351,1097 8.548,1098 22.766,1099 10.693,1100 2.923,1101 12.388,1102 20.289,1103 -1.512,1104 12.625,1105 15.896,1106 11.662,1107 25.275,1108 11.816,1109 2.812,1110 9.224,1111 22.208,1112 4.737,1113 13.769,1114 17.363,1115 10.509,1116 27.749,1117 12.828,1118 2.506,1119 8.907,1120 24.136,1121 3.954,1122 14.961,1123 18.895,1124 13.791,1125 30.256,1126 13.923,1127 2.345,1128 7.824,1129 26.073,1130 3.914,1131 16.137,1132 20.399,1133 12.452,1134 32.753,1135 14.971,1136 1.756,1137 6.816,1138 28.016,1139 3.425,1140 17.333,1141 21.932,1142 15.928,1143 35.263,1144 16.057,1145 1.631,1146 4.368,1147 29.966,1148 3.254,1149 18.525,1150 23.456,1151 14.386,1152 37.77,1153 17.123,1154 9849,1155 19991,1156 19.186,1157 28.653,1158 45.895,1159 49.337,1160 46.358,1161 45.709,1162 45.583,1163 64.205,1164 15.852,1165 133.895,1166 43.603,1167 5.742,1168 7.192,1169 7.081,1170 5.368,1171 5.402,1172 7.737,1173 5.9,1174 20.045,1175 5.036,1176 16.811,1177 1.53,1178 1.645,1179 1.545,1180 1.524,1181 1.519,1182 2.14,1183 0.528,1184 4.463,1185 1.453,1186 4.121,1187 4.104,1188 4.738,1189 4.104,1190 7.816,1191 4.02,1192 3.97,1193 3.991,1194 3.945,1195 3.863,1196 7.715,1197 3.867,1198 3.754,1199 3.748,1200 3.87,1201 3.65,1202 7.433,1203 3.592,1204 3.695,1205 3.699,1206 3.652,1207 3.45,1208 6.999,1209 3.496,1210 3.531,1211 3.539,1212 3.516,1213 3.097,1214 6.999,1215 3.198,1216 3.204,1217 3.223,1218 3.144,1219 2.932,1220 5.261,1221 2.969,1222 2.912,1223 2.96,1224 2.803,1225 2.769,1226 4.703,1227 2.769,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.615,1233 2.715,1234 0.162,1235 0.173,1236 0.243,1237 0.143,1238 0.113,1239 4.866,1240 0.158,1241 5.192,1242 0.098,1243 7.279,1244 0.413,1245 4.289,1246 0.101,1247 3.402,1248 4.737,1249 2.95,1250 12.388,1251 3.036,1252 1.997,1253 2.011,1254 2.013,1255 2.112,1256 1.234,1257 2.109,1258 1.897,1259 1.872,1260 1.989,1261 1.983,1262 1.078,1263 1.993,1264 1.587,1265 1.613,1266 1.611,1267 1.761,1268 0.847,1269 1.784,1270 1.416,1271 1.395,1272 1.572,1273 1.747,1274 0.754,1275 1.677,1276 1.213,1277 1.194,1278 1.281,1279 1.602,1280 0.289,1281 1.541,1282 1.136,1283 1.096,1284 1.241,1285 1.399,1286 0.218,1287 1.341,1288 0.946,1289 0.916,1290 1.181,1291 1.233,1292 0.215,1293 1.183,1294 0.886,1295 0.821,1296 1.118,1297 1.062,1298 0.21,1299 1.107,1300 4.111,1302 5.451,1303 2.398,1304 6.969,1305 4.595,1306 8.566,1307 6.581,1308 10.208,1310 0.841,1315 -0.347,1318 5.016,1326 28.889,1327 77.661,1328 152.05,1329 175.395,1330 195.395,1331 200.905,1332 200.905,1333 79.165,1334 7.188,1335 145.18,1336 153.56,1337 17,1338 12.489,1339 4.524,1340 3.858,1341 49.987,1342 122,1343 116,1344 0.199,1345 181.874,1346 319.52,1347 435.532,1348 12861,1350 20.311,1351 0.725,1352 0.545,1353 20.561,1354 15.25,1355 13.253,1356 0.442,1357 0.323,1358 7.781,1359 11.702,1360 7.46,1361 6.181,1362 14.147,1363 9.681,1364 12.845,1365 0.299,1366 0.178,1367 14.214,1368 7.639,1369 9.642,1370 0.182,1371 0.09,1372 10.378,1373 4.749,1374 7.712,1375 0.117,1376 0.048,1377 8.422,1378 3.149,1379 6.083,1380 0.078,1381 0.025,1382 6.696,1383 1.933,1384 0.32,1385 94.571,1386 0.228,1387 27.088,1388 0.527,1389 146,1390 627.944,1391 202.874,1392 605.625,1393 789.32,1394 552,1395 169,1396 545.915,1397 232.922,1398 569.719,1399 818.54,1400 528,1401 5.067}
{0 CHEMBL1309548,1 1.658,2 6.619,3 3.362,4 11.303,5 82.663,6 7.562,7 0.545,8 3.734,9 3.871,10 3.298,11 3.194,12 4.952,13 3.189,14 4.22,15 4.408,16 3.599,17 3.538,18 5.494,19 3.507,20 4.447,21 4.681,22 3.704,23 3.652,24 5.497,25 3.612,26 4.525,27 4.743,28 3.815,29 3.686,30 5.897,31 3.657,32 4.582,33 4.801,34 3.738,35 3.783,36 5.719,37 3.737,38 4.633,39 4.844,40 3.694,41 3.797,42 5.834,43 3.729,44 4.649,45 4.9,46 3.438,47 3.637,48 5.836,49 3.535,50 4.404,51 4.7,52 2.804,53 3.191,54 5.546,55 3.024,56 0.145,57 0.591,58 7.669,59 2.876,60 9.957,61 4.169,62 0.289,63 0.864,64 13.894,65 4.857,66 46.319,67 7.061,68 0.3,69 1.008,70 18.733,71 5.81,72 27.087,73 8.894,74 0.653,75 1.045,76 20.485,77 5.73,78 71.709,79 8.914,80 0.382,81 1.096,82 21.631,83 6.504,84 49.539,85 9.59,86 0.388,87 1.12,88 22.606,89 7.032,90 60.208,91 10.238,92 0.505,93 0.989,94 24.899,95 6.653,96 78.663,97 10.127,98 0.468,99 0.649,100 21.152,101 5.098,102 72.105,103 8.1,104 23,105 29,106 0.299,107 0.624,108 0.759,109 0.824,110 0.837,111 0.837,112 3.104,113 0.917,114 -5,115 -4.9,116 -4.59,120 36.8,121 1,122 2,126 1,143 5,145 2,148 2,149 1,164 1,165 1,166 1,167 2,174 6,176 3,177 3,179 1,180 1,185 5,188 3,189 3,191 1,192 1,197 2,200 7,201 5,203 4,204 4,209 2,214 6,222 4,227 14,232 3,235 5,237 3,240 11,245 3,247 3,249 3,252 6,257 2,260 1,262 2,274 597,275 14.165,276 14.165,277 14.165,278 14.165,279 14.165,280 12.355,281 15.287,282 8.736,283 14.468,284 10.821,285 10.821,286 10.821,287 10.821,288 10.821,289 8.243,290 21.537,291 4.045,292 11.317,293 3.589,294 1.78,295 1.029,296 0.671,297 0.599,298 0.599,299 3.762,305 1,306 1,307 1,308 280,309 3.317,313 144.148,320 1.007,321 24.1,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.5,333 139,334 4.557,335 3.84,336 6.89,337 4.154,338 3.211,339 4.269,340 2.612,341 11.479,342 3.026,343 4.054,344 3.238,345 6.184,346 3.676,347 2.725,348 3.552,349 0.8,350 8.961,351 2.594,352 3.568,353 2.611,354 5.096,355 2.996,356 2.031,357 3.013,359 5.728,360 1.955,361 3.371,362 2.106,363 4.694,364 2.847,365 1.909,366 2.657,368 4.735,369 1.789,370 2.922,371 1.677,372 4.15,373 2.567,374 1.601,375 2.086,377 3.685,378 1.545,379 2.709,380 1.447,381 3.587,382 2.397,383 1.414,384 1.771,386 2.875,387 1.387,388 2.602,389 1.345,390 3.548,391 2.094,392 1.155,393 1.606,395 2.545,396 1.081,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.019,407 1,408 3.228,409 1.768,410 0.801,411 0.942,413 1.712,414 0.773,415 1.178,416 0.958,417 2.494,418 1.018,419 0.042,420 0.045,422 0.071,423 0.041,424 1.071,425 0.271,426 2.349,427 0.679,428 -0.242,429 -0.304,431 -0.553,432 -0.222,433 1,434 -0.021,435 2.275,436 0.333,437 -0.605,438 -0.798,440 -1.477,441 -0.564,442 0.795,443 -0.462,444 1.895,445 0.147,446 -0.824,447 -0.977,449 -1.644,450 -0.799,451 0.5,452 -0.72,453 1.601,455 -1,456 -1.5,458 -2,459 -1,460 0.495,461 -1,462 1.555,464 -1,465 -1.504,467 -2.347,468 -1,469 9.667,470 0.46,471 0.439,472 0.021,473 29.75,474 1.417,475 16,476 0.762,477 13.75,478 0.655,479 14.153,480 0.674,481 23.333,482 0.614,483 21.208,484 1.01,485 5.747,486 0.274,487 4.401,488 0.21,489 0.162,491 0.29,496 0.52,497 1.432,498 0.768,499 1.128,500 0.586,501 1.011,502 0.52,503 1.17,504 0.79,505 1.099,506 0.364,507 1.009,508 0.615,509 1.084,510 0.721,511 0.991,512 0.507,513 0.887,514 0.541,515 0.917,516 0.825,517 0.919,518 0.543,519 0.924,520 1.15,521 1.002,522 1.009,523 0.966,524 1.031,525 0.951,526 1.198,527 1.197,528 1.167,529 1.223,530 1.199,531 1.198,532 1.36,533 1.036,534 1.245,535 1.119,536 1.421,537 1.156,538 1.398,539 0.857,540 1.222,541 0.983,542 1.503,543 1.064,544 3,546 2.222,547 1.875,548 1.084,549 0.819,550 0.507,551 0.318,552 0.102,554 3450,555 10634,556 1.968,557 44.7,558 5,559 7,561 1,562 2,564 2,567 1.644,568 1.826,569 2.751,570 0.425,571 1,572 1,574 1,575 63.022,576 1.658,577 3.468,578 4.218,579 4.577,580 4.649,581 4.649,582 2.136,583 4.107,584 4.363,585 2.922,586 613.589,587 7.538,588 6603.46,589 1,590 1,591 1,592 1,593 199.421,594 1.461,595 4.311,596 0.136,598 0.077,599 0.059,600 0.032,601 0.025,602 0.017,603 0.015,604 0.011,606 0.372,607 0.33,608 1,609 1.406,610 92.469,611 0.175,612 -0.139,613 0.045,614 -0.021,615 -0.023,616 -0.021,617 0.234,618 -0.024,619 0.09,620 -0.045,621 0.266,622 -0.014,623 0.121,624 -0.034,625 0.21,626 0.007,627 0.054,628 0.106,629 0.461,630 0.154,631 0.135,632 0.025,633 0.342,634 0.008,635 -0.195,636 0.032,637 -0.066,638 0.04,639 -0.101,640 0.027,641 -0.209,642 -0.18,643 -0.228,644 -0.206,645 -0.139,646 -0.218,647 -0.247,648 -0.135,649 -0.238,650 -0.174,651 -0.196,652 -0.197,653 -0.22,654 -0.099,655 -0.147,656 -0.089,657 -0.171,658 -0.1,659 2.535,660 4.271,661 0.571,662 13.878,663 1.012,664 1.142,665 3.765,666 14.177,667 0.645,668 3.135,669 3.401,670 3.664,671 3.932,672 4.094,673 4.06,674 4.043,675 3.97,676 3.761,677 3.555,678 4.619,679 0.624,680 287.36,681 3.135,682 4.635,683 5.468,684 6.337,685 7.2,686 8.082,687 8.955,688 9.841,689 10.718,690 11.607,691 13.2,695 1,699 1,701 2,702 1,709 6,710 2,714 4,716 12,728 1,731 1,732 1,738 38,739 14,740 1,741 22,743 39,744 14,745 10,746 1,747 5,752 2,753 2,759 1,766 2,768 10,769 4,772 2,775 1,778 2,785 1,786 1,789 17,790 6,791 2,792 7,797 5,803 1,804 2,817 1,823 2,855 2,859 1,862 21,863 1,869 3,875 1,886 5.3,892 2,893 11.5,894 6.967,895 4.889,896 2.369,898 2.299,899 1.369,900 0.941,901 5.065,902 8.522,903 3.434,904 3.989,905 4.505,906 5.075,907 5.534,908 5.629,909 5.911,910 6.149,911 6.31,912 6.502,913 1,914 32,915 7.723,917 3.186,918 8.032,919 14.322,921 11.059,924 2.532,925 53.167,929 176.567,930 82.169,931 75.263,933 50.747,936 82.169,937 227.313,938 75.263,939 14.495,940 7.175,941 80.278,942 45.342,943 17.256,944 4.656,945 164.795,946 50.747,947 176.567,948 157.432,949 50.747,952 153.024,953 23.542,954 50.747,956 27.743,957 90.448,958 39.241,960 176.567,961 126.01,962 82.169,965 176.567,966 17.344,967 73.619,969 117.215,970 176.567,971 126.01,972 82.169,973 0.558,974 0.33,975 0.196,976 0.109,977 12,978 6,979 0.154,980 6,982 1,983 3.155,984 156.824,986 12,987 86.239,993 15.199,994 6.998,995 3.469,997 120.339,998 10.675,999 7.799,1003 0.694,1005 32.897,1006 384.745,1007 30,1010 -0.535,1013 22.542,1020 38.465,1021 43.402,1022 0.316,1023 0.661,1024 0.804,1025 0.872,1026 0.886,1027 0.886,1028 4.625,1029 1,1030 5.434,1031 2.545,1032 4.078,1033 4.673,1034 2.577,1035 6.252,1036 3.985,1037 5.816,1038 0.801,1039 6.995,1040 2.136,1041 3.611,1042 4.443,1043 2.396,1044 7.256,1045 3.443,1046 7.113,1047 0.042,1048 8.673,1049 1.712,1050 5.645,1051 6.841,1052 4.162,1053 10.408,1054 5.441,1055 8.453,1056 -0.242,1057 10.424,1058 0.071,1059 6.066,1060 7.458,1061 4.51,1062 12.299,1063 5.778,1064 9.83,1065 -0.605,1066 12.223,1067 -0.553,1068 7.56,1069 9.326,1070 5.949,1071 14.967,1072 7.236,1073 11.233,1074 -0.824,1075 14.053,1076 -1.477,1077 8.392,1078 10.344,1079 6.556,1080 17.186,1081 7.987,1082 12.658,1083 -1,1084 15.905,1085 -1.644,1086 9.67,1087 11.987,1088 7.794,1089 19.697,1090 9.223,1091 3.211,1092 -1,1093 17.772,1094 -2,1095 10.686,1096 13.209,1097 8.548,1098 22.043,1099 10.165,1100 2.725,1101 11.479,1102 19.652,1103 -2.347,1104 11.883,1105 14.747,1106 9.67,1107 24.502,1108 11.312,1109 2.031,1110 8.961,1111 21.539,1112 4.269,1113 12.978,1114 16.075,1115 10.509,1116 26.9,1117 12.338,1118 1.909,1119 5.728,1120 23.434,1121 3.552,1122 14.146,1123 17.564,1124 11.563,1125 29.342,1126 13.451,1127 1.601,1128 4.735,1129 25.333,1130 3.013,1131 15.276,1132 18.948,1133 12.452,1134 31.762,1135 14.516,1136 1.414,1137 3.685,1138 27.237,1139 2.657,1140 16.435,1141 20.414,1142 13.468,1143 34.2,1144 15.618,1145 1.155,1146 2.875,1147 29.144,1148 2.086,1149 17.581,1150 21.828,1151 14.386,1152 36.63,1153 16.701,1154 3606,1155 6512,1156 14.216,1157 24.506,1158 32.059,1159 32.989,1160 33.792,1161 31.853,1162 31.777,1163 42.882,1164 6.825,1165 87.853,1166 30.382,1167 5.412,1168 5.84,1169 6.749,1170 5.227,1171 5.211,1172 7.269,1173 4.612,1174 18.871,1175 5.026,1176 11.008,1177 1.457,1178 1.499,1179 1.536,1180 1.448,1181 1.444,1182 1.949,1183 0.31,1184 3.993,1185 1.381,1186 4.012,1187 4.056,1188 3.987,1189 3.866,1190 7.815,1191 3.877,1192 3.847,1193 3.883,1194 3.792,1195 3.679,1196 6.999,1197 3.71,1198 3.647,1199 3.718,1200 3.481,1201 3.5,1202 5.18,1203 3.484,1204 3.427,1205 3.468,1206 3.395,1207 3.015,1208 4.784,1209 3.045,1210 3.225,1211 3.321,1212 3.067,1213 2.908,1214 4.67,1215 3.001,1216 2.952,1217 3.081,1218 2.779,1219 2.735,1220 4.177,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.695,1226 3.939,1227 2.679,1228 2.829,1229 2.915,1230 2.635,1231 2.567,1232 3.674,1233 2.604,1234 0.207,1235 0.175,1236 0.313,1237 0.189,1238 0.146,1239 4.557,1240 0.194,1241 3.84,1242 0.119,1243 6.89,1244 0.522,1245 4.154,1246 0.138,1247 3.211,1248 4.269,1249 2.612,1250 11.479,1251 3.026,1252 1.921,1253 1.886,1254 2.04,1255 2.106,1256 1.279,1257 2.063,1258 1.766,1259 1.726,1260 1.943,1261 1.959,1262 1.07,1263 1.936,1264 1.66,1265 1.591,1266 1.811,1267 1.843,1268 0.832,1269 1.878,1270 1.216,1271 1.127,1272 1.549,1273 1.625,1274 0.688,1275 1.518,1276 1.094,1277 1.049,1278 1.19,1279 1.469,1280 0.266,1281 1.48,1282 0.886,1283 0.821,1284 1.181,1285 1.256,1286 0.218,1287 1.249,1288 0.884,1289 0.796,1290 1.173,1291 1.062,1292 0.12,1293 1.107,1294 0.797,1295 0.69,1296 1.103,1297 1.061,1298 0.004,1299 1.088,1300 3.807,1302 5.081,1304 6.575,1306 8.178,1308 9.839,1310 2.061,1313 5.647,1315 2.478,1321 1.805,1326 23.697,1327 63.022,1328 131.773,1329 160.302,1330 173.911,1331 176.666,1332 176.666,1333 42.532,1334 6.223,1335 100.86,1336 100.86,1337 12,1338 12.139,1339 3.907,1340 3.17,1341 38.683,1342 55,1343 64,1344 0.343,1345 151.749,1346 258.34,1347 362.027,1348 3068,1350 15.242,1351 0.726,1352 0.56,1353 15.242,1354 11.768,1355 10.147,1356 0.461,1357 0.306,1358 6.611,1359 9.64,1360 6.473,1361 5.462,1362 10.147,1363 6.722,1364 8.598,1365 0.296,1366 0.156,1367 8.598,1368 4.529,1369 6.814,1370 0.179,1371 0.081,1372 6.814,1373 3.073,1374 5.935,1375 0.119,1376 0.041,1377 5.935,1378 2.037,1379 4.509,1380 0.076,1381 0.023,1382 4.509,1383 1.364,1384 0.507,1385 64.515,1386 0.265,1387 20.228,1388 1.049,1389 102,1390 351.364,1391 115.559,1392 339.34,1393 452.94,1394 312,1395 118,1396 338.661,1397 132.256,1398 336.016,1399 484.92,1400 314,1401 5.08}
{0 CHEMBL1309737,1 1.711,2 10.571,3 3.651,4 13.326,5 114.6,6 7.739,7 0.167,8 4.095,9 4.209,10 3.729,11 3.606,12 5.097,13 3.554,14 4.699,15 4.886,16 4.142,17 4.007,18 5.736,19 3.923,20 4.917,21 5.134,22 4.218,23 4.183,24 5.825,25 4.057,26 4.944,27 5.125,28 4.378,29 4.199,30 6.082,31 4.072,32 4.86,33 5.037,34 4.247,35 4.122,36 5.981,37 4.007,38 4.844,39 5.024,40 4.214,41 4.162,42 5.917,43 4.016,44 4.898,45 5.111,46 4.085,47 4.185,48 5.81,49 4.003,50 4.911,51 5.115,52 3.942,53 4.056,54 6.05,55 3.91,56 0.045,57 0.806,58 12.232,59 5.508,60 5.175,61 6.901,62 0.622,63 1.332,64 27.912,65 8.95,66 43.859,67 11.975,68 0.411,69 1.588,70 38.889,71 12.834,72 31.349,73 15.855,74 0.651,75 1.622,76 46.72,77 13.695,78 66.718,79 15.088,80 0.647,81 1.492,82 40.777,83 12.116,84 67.975,85 13.315,86 0.617,87 1.512,88 40.658,89 13.047,90 56.329,91 14.839,92 0.415,93 1.603,94 44.649,95 14.491,96 33.116,97 17.114,98 0.859,99 1.446,100 40.819,101 12.711,102 99.131,103 15.355,104 38,105 41,106 0.287,107 0.537,108 0.766,109 0.806,110 0.824,111 0.843,112 3.375,113 1.106,114 -3.26,115 -3.25,116 -3.11,120 34.5,121 2,122 4,126 6,144 2,153 1,154 1,159 1,160 2,174 4,176 4,177 7,180 1,182 2,185 4,189 5,194 1,197 1,201 12,204 2,206 3,209 1,214 5,217 1,219 1,222 1,226 4,227 3,232 1,235 7,239 1,243 2,247 6,251 4,252 6,260 4,263 2,264 4,269 1,271 1,274 1306,275 18.999,276 18.999,277 18.999,278 18.999,279 18.999,280 18.025,281 28.462,282 11.472,283 19.911,284 14.735,285 14.735,286 14.735,287 14.735,288 14.735,289 12.928,290 36.796,291 5.271,292 16.032,293 4.07,294 2.577,295 1.21,296 0.973,297 0.864,298 0.755,299 4.054,306 1,307 1,308 616,309 4.123,312 63.933,313 171.292,316 119.882,320 1.643,321 34.061,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 61.5,333 296,334 4.617,335 3.899,336 6.922,337 4.229,338 3.278,339 4.323,340 2.209,341 11.661,342 3.123,343 3.98,344 3.789,345 6.084,346 3.724,347 2.811,348 3.164,349 1.803,350 8.797,351 2.578,352 3.922,353 3.714,354 6.024,355 3.652,356 2.738,357 3.092,358 1.674,359 8.565,360 2.474,361 3.623,362 3.144,363 5.655,364 3.243,365 2.295,366 2.867,367 0.796,368 7.251,369 2.152,370 3.266,371 2.48,372 5.135,373 2.952,374 2.039,375 2.421,376 0.566,377 6.021,378 1.842,379 2.88,380 2.407,381 4.541,382 2.618,383 1.685,384 1.875,385 0.247,386 4.347,387 1.554,388 2.797,389 2.057,390 4.22,391 2.477,392 1.558,393 1.839,394 0.076,395 3.942,396 1.411,397 2.617,398 1.887,399 4.167,400 2.393,401 1.485,402 1.6,404 3.677,405 1.334,406 2.184,407 1.806,408 3.574,409 2.014,410 1.088,411 1.137,413 2.5,414 0.995,415 2.11,416 1.788,417 3.407,418 1.984,419 1,420 1.046,422 2.136,423 0.983,424 2.057,425 1.432,426 3.247,427 1.862,428 0.951,429 1,431 1.955,432 0.849,433 2,434 1.077,435 2.982,436 1.813,437 0.84,438 0.944,440 1.386,441 0.801,442 1.737,443 0.96,444 2.897,445 1.4,446 0.449,447 0.543,449 0.973,450 0.415,451 1.106,452 0.502,453 2.674,454 0.662,455 -0.206,456 -0.24,458 -0.544,459 -0.175,460 0.69,461 0.327,462 2.319,463 0.413,464 -0.528,465 -0.551,467 -0.851,468 -0.49,469 13.7,470 0.489,471 0.627,472 0.022,473 27,474 0.964,475 8.5,476 0.304,477 18.5,478 0.661,479 32.086,480 1.146,481 32.5,482 0.591,483 19.96,484 0.713,485 4.912,486 0.175,487 8.633,488 0.308,489 0.182,491 0.314,496 0.782,497 1.465,498 0.701,499 1.047,500 0.538,501 1.057,502 0.742,503 1.01,504 0.727,505 0.826,506 0.448,507 0.878,508 0.924,509 1.052,510 0.916,511 0.953,512 0.695,513 0.884,514 1.311,515 1.164,516 1.168,517 1.163,518 1.57,519 1.027,520 1.59,521 1.013,522 1.312,523 1.091,524 1.853,525 0.957,526 0.965,527 1.113,528 1.333,529 1.28,530 0.987,531 1.114,532 0.589,533 1.222,534 1.411,535 1.455,536 0.589,537 1.207,538 0.991,539 1.138,540 1.24,541 1.203,542 1.025,543 1.17,544 5,545 0.112,546 3.333,547 2.542,548 1.454,549 1.157,550 0.888,551 0.563,552 0.306,553 0.222,554 8691,555 23942,556 2.013,557 49.1,558 2,559 12,562 1,564 12,567 1.717,568 1.867,569 3.365,570 -0.252,572 1,575 94.127,576 1.711,577 3.205,578 4.572,579 4.808,580 4.918,581 5.027,582 2.88,583 4.352,584 4.771,585 3.511,586 1327.13,587 8.338,588 17352,590 1,592 1,593 317.975,594 1.47,595 4.727,596 0.167,597 0.006,598 0.081,599 0.058,600 0.033,601 0.028,602 0.022,603 0.015,604 0.009,605 0.009,606 0.428,607 0.33,608 1,609 1.431,610 139.34,611 -0.033,612 -0.253,613 0.057,614 -0.068,615 -0.005,616 -0.033,617 0.229,618 0.087,619 0.139,620 0.101,621 0.182,622 0.086,623 -0.056,624 -0.011,625 0.089,626 0.075,627 0.002,628 0.12,629 -0.086,630 -0.071,631 0.039,632 -0.015,633 -0.117,634 -0.037,635 -0.261,636 0.099,637 -0.083,638 0.059,639 -0.269,640 0.017,641 0.029,642 0.017,643 -0.101,644 -0.071,645 0.006,646 -0.084,647 0.078,648 -0.114,649 -0.169,650 -0.22,651 0.032,652 -0.14,653 0.14,654 -0.143,655 -0.207,656 -0.178,657 0.16,658 -0.189,659 2.006,660 5.657,661 0.536,662 28.474,663 1.007,664 1.13,665 2.026,666 4.106,667 0.659,668 3.434,669 3.738,670 4.025,671 4.304,672 4.511,673 4.644,674 4.844,675 4.963,676 4.97,677 4.977,678 6.268,679 0.611,680 425.63,681 3.434,682 4.963,683 5.814,684 6.696,685 7.574,686 8.469,687 9.361,688 10.264,689 11.164,690 12.072,691 5.5,698 3,713 1,714 4,716 5,726 1,738 55,739 8,741 30,743 57,744 19,745 4,748 1,752 3,753 4,757 1,759 2,763 4,766 4,768 7,769 12,772 3,778 2,779 1,782 3,786 1,789 27,790 7,791 1,792 9,793 2,797 3,803 0.667,804 4,822 1,823 2,826 1,852 1,855 2,857 2,859 2,862 28,869 10,871 1,872 2,875 2,880 1,886 7.3,889 2,891 2,893 15,894 10.4,895 6.417,896 3.833,898 1.192,899 1.163,900 0.943,901 7.942,902 8.516,903 3.597,904 4.065,905 4.547,906 5.05,907 5.378,908 5.709,909 6.02,910 6.239,911 6.308,912 6.347,913 1,914 44,915 10.456,917 4.379,918 7.774,919 20.134,921 16.373,924 2.274,925 63.667,928 1,929 306.049,930 144.763,931 24.259,933 72.29,935 76.47,936 68.294,937 378.338,938 24.259,939 17.65,940 52.005,942 57.481,943 29.3,944 8.405,945 337.326,946 45.192,947 306.049,948 92.553,949 72.29,950 76.47,952 164.795,953 213.543,956 70.585,957 21.968,959 76.47,960 306.049,961 96.549,962 144.763,965 306.049,966 81.921,967 23.899,968 18.011,969 117.482,970 306.049,971 96.549,972 144.763,973 0.566,974 0.338,975 0.19,976 0.102,977 18,978 9,979 0.105,980 6,981 1,982 1.133,983 3.842,984 240.285,985 0.133,986 15,987 130.606,989 1,990 1,993 21.779,994 10.21,995 5.178,997 96.549,1002 1.472,1003 3.202,1005 18.011,1006 547.361,1007 35.5,1013 24.75,1014 5.591,1017 -0.016,1020 55.371,1021 62.155,1022 0.296,1023 0.554,1024 0.791,1025 0.832,1026 0.851,1027 0.869,1028 4.854,1029 1.485,1030 5.796,1031 3.942,1032 4.419,1033 4.749,1034 3.109,1035 6.627,1036 4.264,1037 6.013,1038 1.088,1039 7.367,1040 3.677,1041 4.007,1042 4.635,1043 2.242,1044 7.585,1045 3.786,1046 7.311,1047 1,1048 9.044,1049 2.5,1050 6.019,1051 6.798,1052 4.17,1053 10.721,1054 5.728,1055 8.646,1056 0.951,1057 10.784,1058 2.136,1059 6.463,1060 7.577,1061 3.968,1062 12.545,1063 6.114,1064 10.022,1065 0.84,1066 12.564,1067 1.955,1068 7.938,1069 9.252,1070 5.43,1071 15.2,1072 7.534,1073 11.425,1074 0.449,1075 14.372,1076 1.386,1077 8.773,1078 10.421,1079 5.593,1080 17.385,1081 8.317,1082 12.849,1083 -0.206,1084 16.2,1085 0.973,1086 10.041,1087 11.94,1088 6.79,1089 19.888,1090 9.538,1091 3.278,1092 -0.528,1093 18.044,1094 -0.544,1095 11.055,1096 13.278,1097 7.184,1098 22.227,1099 10.506,1100 2.811,1101 11.661,1102 19.9,1103 -0.851,1104 12.247,1105 14.751,1106 8.22,1107 24.687,1108 11.654,1109 2.738,1110 8.797,1111 21.766,1112 4.323,1113 13.343,1114 16.16,1115 8.764,1116 27.091,1117 12.707,1118 2.295,1119 8.565,1120 23.641,1121 3.164,1122 14.511,1123 17.622,1124 9.701,1125 29.541,1126 13.835,1127 2.039,1128 7.251,1129 25.523,1130 3.092,1131 15.646,1132 19.061,1133 10.34,1134 31.973,1135 14.927,1136 1.685,1137 6.021,1138 27.412,1139 2.867,1140 16.811,1141 20.522,1142 11.218,1143 34.423,1144 16.052,1145 1.558,1146 4.347,1147 29.306,1148 2.421,1149 17.965,1150 21.975,1151 11.917,1152 36.867,1153 17.164,1154 8693,1155 14604,1156 19.592,1157 36.267,1158 44.814,1159 47.359,1160 46.642,1161 44.54,1162 44.432,1163 51.7,1164 14.745,1165 126.422,1166 41.022,1167 5.617,1168 5.793,1169 6.724,1170 5.38,1171 5.278,1172 7.023,1173 3.913,1174 18.846,1175 5.059,1176 15.343,1177 1.494,1178 1.579,1179 1.555,1180 1.485,1181 1.481,1182 1.723,1183 0.491,1184 4.214,1185 1.367,1186 4.027,1187 4.043,1188 4.294,1189 4.015,1190 7.435,1191 3.962,1192 3.836,1193 3.899,1194 3.919,1195 3.699,1196 7.431,1197 3.684,1198 3.637,1199 3.664,1200 3.605,1201 3.404,1202 4.854,1203 3.422,1204 3.521,1205 3.576,1206 3.534,1207 3.297,1208 4.581,1209 3.295,1210 3.427,1211 3.498,1212 3.443,1213 3.284,1214 4.465,1215 3.242,1216 3.268,1217 3.315,1218 3.271,1219 3.18,1220 4.403,1221 3.116,1222 3.111,1223 3.206,1224 3.081,1225 2.972,1226 4.19,1227 2.93,1228 3.106,1229 3.172,1230 2.951,1231 2.941,1232 3.941,1233 2.91,1234 0.154,1235 0.13,1236 0.231,1237 0.141,1238 0.109,1239 4.617,1240 0.144,1241 3.899,1242 0.074,1243 6.922,1244 0.389,1245 4.229,1246 0.104,1247 3.278,1248 4.323,1249 2.209,1250 11.661,1251 3.123,1252 1.824,1253 1.778,1254 2.041,1255 2.004,1256 1.395,1257 2.022,1258 1.806,1259 1.758,1260 1.948,1261 1.971,1262 1.277,1263 1.966,1264 1.564,1265 1.55,1266 1.808,1267 1.794,1268 0.942,1269 1.788,1270 1.479,1271 1.418,1272 1.798,1273 1.727,1274 0.937,1275 1.751,1276 1.439,1277 1.379,1278 1.513,1279 1.61,1280 0.825,1281 1.63,1282 1.19,1283 1.155,1284 1.512,1285 1.409,1286 0.799,1287 1.429,1288 1.153,1289 1.07,1290 1.391,1291 1.376,1292 0.66,1293 1.406,1294 1.106,1295 1.064,1296 1.342,1297 1.302,1298 0.593,1299 1.327,1300 4.111,1302 5.416,1303 2.398,1304 6.923,1305 4.844,1306 8.524,1307 7.05,1308 10.177,1310 3.589,1315 7.552,1317 3.286,1318 10.419,1321 3.821,1326 33.619,1327 94.127,1328 176.254,1329 251.445,1330 264.465,1331 270.465,1332 276.465,1333 61.279,1334 7.324,1335 71.11,1336 131.44,1337 17,1338 12.591,1339 3.17,1340 2.7,1341 49.336,1342 102,1343 121,1344 0.236,1345 214.837,1346 381.26,1347 515.963,1348 13480,1350 20.096,1351 0.718,1352 0.645,1353 20.949,1354 18.048,1355 13.545,1356 0.452,1357 0.369,1358 9.778,1359 12.184,1360 9.453,1361 7.788,1362 14.242,1363 11.064,1364 11.713,1365 0.286,1366 0.202,1367 12.726,1368 8.269,1369 9.805,1370 0.178,1371 0.117,1372 10.915,1373 6.419,1374 8.366,1375 0.115,1376 0.071,1377 9.762,1378 5.154,1379 6.343,1380 0.07,1381 0.041,1382 7.609,1383 3.7,1384 0.363,1385 92.77,1386 0.226,1387 26.487,1388 0.674,1389 142,1390 458.286,1391 200.998,1392 466.189,1393 620.68,1394 436,1395 167,1396 414.183,1397 218.311,1398 433.606,1399 646.16,1400 408,1401 4.908}
{0 CHEMBL1310144,1 1.509,2 9.1,3 4.26,4 18.146,5 82.09,6 8.947,7 0.913,8 3.574,9 3.67,10 3.383,11 3.296,12 4.716,13 3.244,14 4.028,15 4.145,16 3.793,17 3.657,18 5.145,19 3.597,20 4.17,21 4.355,22 3.684,23 3.677,24 5.195,25 3.561,26 4.064,27 4.26,28 3.508,29 3.509,30 5.054,31 3.382,32 3.937,33 4.133,34 3.462,35 3.381,36 4.971,37 3.284,38 3.79,39 3.98,40 3.213,41 3.235,42 4.814,43 3.119,44 3.528,45 3.726,46 2.828,47 2.987,48 4.477,49 2.855,50 3.234,51 3.409,52 2.508,53 2.785,54 4.161,55 2.673,56 0.031,57 0.433,58 4.526,59 2.422,60 4.177,61 2.882,62 0.081,63 0.734,64 8.974,65 3.884,66 7.003,67 4.505,68 0.078,69 0.823,70 12.41,71 5.579,72 13.613,73 6.797,74 0.082,75 0.781,76 14.826,77 5.634,78 12.889,79 6.078,80 0.106,81 0.726,82 12.381,83 4.436,84 12.08,85 4.414,86 0.114,87 0.635,88 11.374,89 3.863,90 11.322,91 3.524,92 0.075,93 0.451,94 8.503,95 3.118,96 7.62,97 3.282,98 0.03,99 0.29,100 5.039,101 2.198,102 3.782,103 2.72,105 32,106 0.276,107 0.473,108 0.571,109 0.684,110 0.763,111 0.799,112 3.058,113 0.937,114 -4.95,115 -4.85,116 -4.55,120 51.6,143 10,144 2,147 1,152 1,162 1,163 1,167 1,174 12,176 1,177 5,185 13,188 1,189 6,197 8,201 10,209 3,214 10,222 3,227 6,235 3,240 2,247 5,260 8,271 10,274 430,275 14.085,276 14.085,277 14.085,278 14.085,279 14.085,280 11.729,282 8.518,283 14.408,284 11.43,285 11.43,286 11.43,287 11.43,288 11.43,289 7.945,291 4.128,292 12.026,293 3.445,294 2.364,295 1.83,296 1.21,297 0.774,298 0.581,299 3.763,306 1,307 1,308 410,309 1.732,312 79.746,313 122.853,315 65.324,320 1.7,321 7.207,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.5,333 182,334 4.588,335 3.143,336 6.465,337 4.058,338 3.143,339 4.538,341 10.218,342 2.904,343 4.156,344 2.793,345 6.13,346 3.761,347 2.793,348 3.748,350 9.039,351 2.691,352 3.896,353 2.466,354 5.801,355 3.427,356 2.466,357 3.478,359 7.88,360 2.353,361 3.308,362 1.823,363 4.478,364 2.789,365 1.823,366 2.693,368 4.573,369 1.755,370 3.082,371 1.628,372 4.414,373 2.602,374 1.628,375 2.333,377 4.243,378 1.579,379 2.914,380 1.414,381 4.286,382 2.291,383 1.414,384 2.121,386 3.915,387 1.225,388 2.625,389 1.131,390 3.506,391 2.097,392 1.131,393 1.686,395 2.682,396 1.081,397 2.5,398 1,399 3.459,400 2,401 1,402 1.5,404 2.394,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 2.418,416 0.919,417 3.247,418 1.863,419 0.919,420 1.377,422 2.136,423 0.858,424 1.5,426 3,427 0.876,433 0.813,434 -0.585,435 2.456,436 0.389,437 -0.585,438 -0.781,440 -1.392,441 -0.567,442 0.724,443 -0.708,444 2.367,445 0.276,446 -0.708,447 -0.975,449 -1.607,450 -0.695,451 0.5,452 -1,453 1.611,455 -1,456 -1.5,458 -2.347,459 -1,460 0.5,461 -1,462 1.586,464 -1,465 -1.5,467 -2.347,468 -1,469 10.033,470 0.502,471 0.359,472 0.018,473 30.75,474 1.538,475 18,476 0.9,477 12.75,478 0.638,479 11.577,480 0.579,481 18.767,482 0.605,483 17.626,484 0.881,485 6.012,486 0.301,487 3.887,488 0.194,491 0.289,496 0.652,497 0.936,498 0.654,499 0.76,500 0.813,501 0.741,502 0.754,503 1.245,504 0.787,505 1.051,506 0.898,507 0.931,508 0.806,509 1.003,510 0.826,511 0.903,512 0.888,513 0.945,514 1.281,515 1.202,516 1.287,517 1.18,518 1.118,519 1.015,520 1.862,521 1.113,522 1.233,523 0.967,524 1.094,525 0.838,526 2.177,527 1.056,528 1.626,529 1.167,530 1.552,531 1.028,532 1.568,533 0.862,534 1.426,535 1.101,536 1.344,537 1.055,538 0.738,539 0.738,540 1.036,541 0.997,542 0.914,543 1.077,544 3,545 0.016,546 1.778,547 1.014,548 0.722,549 0.528,550 0.193,551 0.222,552 0.074,553 0.009,554 4355,555 10879,556 2.259,557 35.5,559 10,560 1,567 1.612,568 2.222,569 3.187,570 -0.787,572 1,575 46.771,576 1.509,577 2.591,578 3.124,579 3.744,580 4.18,581 4.374,582 2.722,583 2.722,584 4.289,585 3.298,586 626.53,587 7.303,588 6317.11,590 1,592 1,593 153.58,594 0.881,595 4.295,596 0.13,597 0.002,598 0.056,599 0.036,600 0.031,601 0.024,602 0.011,603 0.019,604 0.007,605 0.001,606 0.318,607 0.83,608 1,610 88.753,611 0.21,612 0.014,613 0.074,614 0.029,615 -0.077,616 0.018,617 0.27,618 -0.254,619 0.076,620 -0.191,621 -0.049,622 -0.135,623 0.136,624 -0.046,625 0.122,626 0.051,627 0.129,628 0.012,629 -0.102,630 -0.157,631 -0.078,632 -0.08,633 -0.025,634 -0.027,635 -0.312,636 0.046,637 -0.055,638 0.082,639 0.051,640 0.081,641 -0.59,642 0.13,643 -0.381,644 -0.082,645 -0.343,646 -0.126,647 -0.424,648 0.179,649 -0.307,650 -0.05,651 -0.262,652 -0.081,653 -0.184,654 0.105,655 -0.245,656 -0.106,657 -0.132,658 -0.108,659 0.747,660 1.648,661 1,662 16.7,663 0.997,664 1.099,665 3.718,666 13.826,667 0.765,668 3.178,669 3.497,670 3.807,671 4.111,672 4.317,673 4.419,674 4.615,675 4.691,676 4.796,677 4.796,678 5.331,679 0.721,680 277.37,681 3.178,682 4.71,683 5.572,684 6.454,685 7.336,686 8.228,687 9.12,688 10.017,689 10.915,690 11.816,691 9.7,699 1,701 2,708 1,709 11,710 2,713 1,714 4,716 21,738 31,739 21,740 2,741 23,743 34,744 16,745 16,746 2,747 10,752 4,753 5,768 16,786 1,789 11,790 2,792 4,793 1,794 1,797 3,803 0.75,822 2,823 2,825 1,855 3,857 1,862 20,893 9,894 5.683,895 4.333,896 1.821,898 3.831,899 1.54,900 1.077,901 2.766,902 10.928,903 3.541,904 4.205,905 4.879,906 5.551,907 6.09,908 6.499,909 7.055,910 7.444,911 7.914,912 8.268,913 1,914 28,915 7.339,917 3.139,918 7.508,919 14.252,921 11.88,924 2.008,925 40.167,926 0.001,929 129.482,930 145.145,931 34.612,935 31.278,936 113.867,937 129.482,938 34.612,941 103.81,942 34.378,943 10.292,944 11.771,945 148.989,947 129.482,948 148.48,950 31.278,952 129.482,956 4.85,957 110.181,958 33.449,959 31.278,960 129.482,961 34.612,962 145.145,965 129.482,966 41.335,967 104.974,969 33.449,970 129.482,971 34.612,972 145.145,973 0.575,974 0.337,975 0.191,976 0.103,977 18,978 6,979 0.059,980 2,981 1,982 1.1,983 3.442,984 156.16,985 0.1,986 20,987 78.439,989 1,993 11.653,994 4.748,995 2.128,996 0.919,997 33.449,998 22.333,999 9.25,1002 1.607,1003 4.201,1006 309.24,1007 33.5,1020 30.916,1021 34.076,1022 0.305,1023 0.523,1024 0.631,1025 0.756,1026 0.844,1027 0.883,1028 4.738,1029 1,1030 5.533,1031 2.682,1032 4.174,1033 4.89,1035 6.337,1036 4.071,1037 5.956,1038 1,1039 7.074,1040 2.394,1041 3.611,1042 4.559,1044 7.168,1045 3.416,1046 7.259,1047 0.919,1048 8.718,1049 2.136,1050 5.746,1051 7.164,1053 10.303,1054 5.53,1055 8.607,1057 10.424,1058 2.136,1059 6.089,1060 7.768,1062 12.009,1063 5.758,1064 9.989,1065 -0.585,1066 12.17,1068 7.629,1069 9.744,1071 14.603,1072 7.284,1073 11.399,1074 -0.708,1075 13.944,1076 -1.392,1077 8.389,1078 10.801,1080 16.647,1081 7.925,1082 12.829,1083 -1,1084 15.736,1085 -1.607,1086 9.681,1087 12.506,1089 19.053,1090 9.19,1091 3.143,1092 -1,1093 17.541,1094 -2.347,1095 10.635,1096 13.789,1098 21.239,1099 10.033,1100 2.793,1101 10.218,1102 19.355,1103 -2.347,1104 11.824,1105 15.374,1107 23.577,1108 11.178,1109 2.466,1110 9.039,1111 21.176,1112 4.538,1113 12.87,1114 16.771,1116 25.826,1117 12.121,1118 1.823,1119 7.88,1120 23.002,1121 3.748,1122 14.019,1123 18.306,1125 28.141,1126 13.211,1127 1.628,1128 4.573,1129 24.832,1130 3.478,1131 15.108,1132 19.759,1134 30.42,1135 14.206,1136 1.414,1137 4.243,1138 26.665,1139 2.693,1140 16.242,1141 21.274,1143 32.729,1144 15.271,1145 1.131,1146 3.915,1147 28.501,1148 2.333,1149 17.353,1150 22.755,1152 35.024,1153 16.292,1154 4017,1155 6489,1156 16.296,1157 23.71,1158 34.93,1159 34.635,1160 34.848,1161 34.733,1162 34.635,1163 49.95,1165 98.429,1166 32.892,1167 5.236,1168 5.143,1169 6.267,1170 5.225,1171 5.143,1172 7.538,1174 16.904,1175 4.904,1177 1.519,1178 1.506,1179 1.515,1180 1.51,1181 1.506,1182 2.172,1184 4.28,1185 1.43,1186 4.126,1187 4.166,1188 4.362,1189 4.032,1190 5.128,1191 4.013,1192 3.884,1193 3.912,1194 3.839,1195 3.838,1196 4.759,1197 3.827,1198 3.783,1199 3.823,1200 3.748,1201 3.696,1202 4.692,1203 3.681,1204 3.148,1205 3.178,1206 3.305,1207 3.121,1208 4.185,1209 3.074,1210 2.854,1211 2.925,1212 2.732,1213 2.735,1214 3.674,1215 2.715,1216 2.854,1217 2.925,1218 2.688,1219 2.735,1220 3.674,1221 2.715,1222 2.796,1223 2.852,1224 2.687,1225 2.699,1226 3.604,1227 2.687,1228 2.54,1229 2.592,1230 2.687,1231 2.502,1232 3.555,1233 2.429,1234 0.199,1235 0.137,1236 0.281,1237 0.176,1238 0.137,1239 4.588,1240 0.197,1241 3.143,1243 6.465,1244 0.444,1245 4.058,1246 0.126,1247 3.143,1248 4.538,1250 10.218,1251 2.904,1252 1.914,1253 1.889,1254 2.024,1255 1.993,1256 1.1,1257 2.005,1258 1.894,1259 1.869,1260 2.008,1261 1.966,1262 1.086,1263 1.984,1264 1.451,1265 1.39,1266 1.541,1267 1.729,1268 0.63,1269 1.675,1270 1.34,1271 1.333,1272 1.262,1273 1.44,1274 0.506,1275 1.446,1276 1.102,1277 1.065,1278 1.181,1279 1.192,1280 0.287,1281 1.228,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.174,1291 1.062,1292 0.218,1293 1.107,1294 0.675,1295 0.618,1296 0.914,1297 0.849,1298 0.019,1299 0.891,1300 3.85,1302 5.165,1303 3.045,1304 6.673,1305 5.416,1306 8.265,1307 7.516,1308 9.904,1326 22.359,1327 46.771,1328 80.307,1329 96.851,1330 116.07,1331 129.58,1332 135.58,1333 17.801,1334 7.097,1335 30.19,1336 58.43,1337 22,1338 12.338,1339 4.459,1340 3.524,1341 26.338,1342 65,1343 55,1344 0.209,1345 139.842,1346 220.07,1347 332.973,1348 10589,1350 13.364,1351 0.668,1352 0.571,1353 13.717,1354 11.417,1355 9.899,1356 0.43,1357 0.312,1358 6.391,1359 9.277,1360 6.188,1361 5.143,1362 10.307,1363 7.187,1364 8.779,1365 0.274,1366 0.17,1367 9.422,1368 5.449,1369 7.722,1370 0.175,1371 0.093,1372 8.524,1373 4.105,1374 6.691,1375 0.112,1376 0.051,1377 7.602,1378 3.032,1379 5.352,1380 0.072,1381 0.028,1382 6.196,1383 2.05,1384 0.325,1385 64.868,1386 0.248,1387 20.043,1388 0.579,1389 110,1390 283.796,1391 143.869,1392 306.94,1393 439.51,1394 290,1395 131,1396 329.078,1397 162.933,1398 351.365,1399 518.95,1400 332,1401 6.796}
{0 CHEMBL1310221,1 1.405,2 8.6,3 3.384,4 11.454,5 92.69,6 8.204,7 0.444,8 3.815,9 3.887,10 3.455,11 3.41,12 5.051,13 3.408,14 4.317,15 4.433,16 3.81,17 3.765,18 5.573,19 3.759,20 4.505,21 4.632,22 3.984,23 3.908,24 5.796,25 3.912,26 4.57,27 4.665,28 4.061,29 3.908,30 6.133,31 3.932,32 4.623,33 4.744,34 4.016,35 3.878,36 6.238,37 3.891,38 4.562,39 4.693,40 3.837,41 3.799,42 5.943,43 3.795,44 4.499,45 4.637,46 3.631,47 3.714,48 5.813,49 3.668,50 4.425,51 4.629,52 3.326,53 3.586,54 5.581,55 3.452,56 0.064,57 0.476,58 6.486,59 3.946,60 8.343,61 4.297,62 0.336,63 0.777,64 13.527,65 6.434,66 34.377,67 7.099,68 0.301,69 0.938,70 16.735,71 7.777,72 39.535,73 8.598,74 0.502,75 0.972,76 17.189,77 7.893,78 79.437,79 8.102,80 0.685,81 1.02,82 19.958,83 8.318,84 125.27,85 8.777,86 0.49,87 0.965,88 19.055,89 7.87,90 78.619,91 8.011,92 0.562,93 0.91,94 18.034,95 7.465,96 81.461,97 7.759,98 0.553,99 0.882,100 18.168,101 7.564,102 56.553,103 9.669,104 32,105 38,106 0.245,107 0.563,108 0.707,109 0.784,110 0.818,111 0.827,112 3.269,113 0.869,114 -4.34,115 -4.27,116 -4.03,120 48.8,121 1,125 1,126 1,137 2,143 8,144 3,145 1,158 2,159 1,174 12,176 1,177 9,185 15,189 11,197 14,200 2,201 13,209 11,213 3,214 15,222 11,227 12,235 11,239 1,240 4,247 10,251 3,252 2,260 6,264 2,271 1,274 919,275 16.983,276 16.983,277 16.983,278 16.983,279 16.983,280 15.112,281 11.238,282 9.969,283 17.308,284 13.172,285 13.172,286 13.172,287 13.172,288 13.172,289 10.072,290 9.103,291 4.499,292 13.445,293 3.952,294 2.134,295 1.305,296 0.866,297 0.671,298 0.622,299 3.946,305 1,306 1,307 1,308 450,309 3.162,313 193.299,317 108.716,320 1.216,321 40.722,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 55,333 215,334 4.746,335 3.895,336 7.16,337 4.403,338 3.389,339 4.36,340 1.674,341 12.478,342 3.433,343 4.149,344 3.535,345 6.328,346 3.744,347 2.746,348 3.76,349 0.86,350 9.464,351 2.74,352 3.961,353 3.332,354 6.116,355 3.609,356 2.607,357 3.428,359 8.572,360 2.613,361 3.732,362 2.867,363 5.41,364 3.367,365 2.39,366 3.017,368 6.924,369 2.326,370 3.377,371 2.558,372 5.18,373 2.994,374 2,375 2.588,377 5.96,378 1.961,379 3.17,380 2.261,381 4.695,382 2.71,383 1.718,384 2.376,386 4.59,387 1.693,388 2.829,389 1.82,390 3.933,391 2.348,392 1.372,393 1.911,395 3.059,396 1.332,397 2.534,398 1.591,399 3.819,400 2.059,401 1.064,402 1.504,404 2.652,405 1.053,406 2.5,407 1.35,408 3.45,409 2,410 1,411 1.5,413 2.275,414 1,415 2.264,416 1.262,417 3.414,418 1.892,419 0.901,420 1.058,422 1.61,423 0.877,424 2.075,425 1.068,426 3.164,427 1.568,428 0.586,429 0.775,431 1.172,432 0.551,433 1.674,434 1,435 2.763,436 1.327,437 0.351,438 0.486,440 0.651,441 0.344,442 1.088,443 0.478,444 2.633,445 0.787,446 -0.204,447 -0.236,449 -0.448,450 -0.199,451 0.925,452 0.201,453 2.212,454 0.458,455 -0.579,456 -0.715,458 -0.957,459 -0.579,460 0.68,461 -0.161,462 2,463 0.391,464 -0.599,465 -0.78,467 -1.338,468 -0.585,469 11.667,470 0.467,471 0.593,472 0.024,473 33.75,474 1.35,475 18.5,476 0.74,477 15.25,478 0.61,479 17.939,480 0.718,481 26.133,482 0.637,483 28.267,484 1.131,485 7.057,486 0.282,487 5.022,488 0.201,489 0.171,491 0.386,496 0.647,497 1.045,498 0.67,499 1.025,500 0.547,501 0.891,502 0.867,503 0.826,504 0.754,505 0.813,506 0.62,507 0.767,508 0.98,509 0.91,510 0.718,511 0.878,512 0.884,513 0.761,514 1.14,515 1.121,516 0.89,517 1.087,518 1.35,519 0.958,520 1.165,521 1.019,522 0.938,523 0.996,524 1.44,525 0.927,526 1.478,527 1.054,528 1.166,529 1.036,530 1.587,531 1.022,532 1.371,533 1.115,534 1.379,535 1.131,536 1.438,537 1.23,538 0.515,539 1.163,540 1.156,541 1.214,542 0.615,543 1.324,544 4,545 0.037,546 3.111,547 2.5,548 2.511,549 1.368,550 0.588,551 0.422,552 0.254,553 0.097,554 5755,555 18141,556 2.015,557 39,559 13,564 3,567 1.691,568 1.852,569 3.032,570 -0.79,571 1,572 1,574 1,575 57.611,576 1.405,577 3.223,578 4.052,579 4.491,580 4.687,581 4.735,582 2.493,583 4.244,584 4.609,585 3.177,586 953.199,587 8.033,588 11021.3,589 1,590 1,592 1,593 219.66,594 1.516,595 4.555,596 0.148,597 0.007,598 0.082,599 0.056,600 0.055,601 0.032,602 0.016,603 0.015,604 0.013,605 0.009,606 0.433,607 0.17,608 1,609 1.313,610 116.867,611 -0.018,612 -0.047,613 0.04,614 -0.037,615 -0.05,616 0.005,617 0.007,618 0.166,619 0.098,620 0.169,621 0.015,622 0.16,623 -0.077,624 0.077,625 0.162,626 0.101,627 -0.032,628 0.174,629 0.023,630 -0.138,632 -0.132,633 0.042,634 -0.085,635 0.071,636 -0.04,637 0.019,638 -0.041,639 0.124,640 -0.028,641 -0.259,642 -0.077,643 -0.204,644 -0.081,645 -0.224,646 -0.117,647 -0.199,648 -0.14,649 -0.418,650 -0.174,651 -0.244,652 -0.315,653 0.249,654 -0.197,655 -0.162,656 -0.227,657 0.059,658 -0.287,659 2.457,660 5.987,661 0.64,662 18.89,663 1.017,664 1.107,665 3.106,666 9.645,667 0.692,668 3.332,669 3.664,670 4.007,671 4.317,672 4.595,673 4.691,674 4.828,675 4.89,676 4.905,677 4.762,678 5.135,679 0.678,680 336.36,681 3.332,682 4.875,683 5.753,684 6.655,685 7.56,686 8.475,687 9.39,688 10.311,689 11.232,690 12.156,709 8,714 4,716 12,721 2,735 1,738 41,739 16,740 2,741 27,743 43,744 20,745 12,746 4,747 8,748 5,752 3,753 4,759 1,768 17,769 3,772 4,778 3,782 5,785 1,786 1,789 16,790 5,792 5,803 0.667,804 5,823 3,827 1,841 1,846 2,855 2,859 2,862 25,869 1,872 2,886 12.2,889 3,891 2,893 13.5,894 8.25,895 5.722,896 2.514,898 2.679,899 1.374,900 0.964,901 4.709,902 9.843,903 3.638,904 4.22,905 4.868,906 5.45,907 6.021,908 6.277,909 6.694,910 7.036,911 7.329,912 7.427,913 0.833,914 45,915 9.343,917 4.094,918 8.08,919 17.062,921 13.684,924 2.58,925 64.5,928 1,929 188.338,930 138.74,933 97.435,936 138.74,937 285.772,939 19.708,940 4.592,941 75.81,942 92.893,943 43.171,945 188.338,947 188.338,948 138.74,949 97.435,952 153.024,953 132.748,956 13.418,957 125.323,960 188.338,961 97.435,962 138.74,965 188.338,966 43.222,967 95.518,969 97.435,970 188.338,971 97.435,972 138.74,973 0.573,974 0.361,975 0.208,976 0.118,977 18,978 9,979 0.116,980 5,981 1,982 1.125,983 3.451,984 216.419,985 0.125,986 16,987 112.096,993 16.969,994 6.938,995 2.958,997 97.435,998 13.1,1003 1.577,1006 424.512,1007 37,1013 38.23,1017 -1.829,1020 41.705,1021 45.369,1022 0.262,1023 0.602,1024 0.756,1025 0.838,1026 0.875,1027 0.884,1028 4.875,1029 1.064,1030 5.753,1031 3.059,1032 4.344,1033 4.905,1034 2.09,1035 6.637,1036 4.329,1037 6.097,1038 1,1039 7.359,1040 2.652,1041 4.007,1042 4.745,1044 7.719,1045 4.025,1046 7.425,1047 0.901,1048 9.074,1049 2.275,1050 5.994,1051 7.112,1052 2.88,1053 10.896,1054 5.988,1055 8.793,1056 0.586,1057 10.853,1058 1.61,1059 6.509,1060 7.779,1062 12.818,1063 6.54,1064 10.198,1065 0.351,1066 12.672,1067 1.172,1068 7.971,1069 9.618,1070 3.826,1071 15.543,1072 7.994,1073 11.628,1074 -0.204,1075 14.519,1076 0.651,1077 8.868,1078 10.67,1080 17.809,1081 8.923,1082 13.079,1083 -0.579,1084 16.387,1085 -0.448,1086 10.145,1087 12.294,1088 4.83,1089 20.392,1090 10.204,1091 3.389,1092 -0.599,1093 18.271,1094 -0.957,1095 11.215,1096 13.541,1098 22.805,1099 11.3,1100 2.746,1101 12.478,1102 20.167,1103 -1.338,1104 12.433,1105 15.07,1106 5.852,1107 25.342,1108 12.529,1109 2.607,1110 9.464,1111 22.073,1112 4.36,1113 13.58,1114 16.418,1116 27.817,1117 13.697,1118 2.39,1119 8.572,1120 23.988,1121 3.76,1122 14.785,1123 17.906,1124 6.88,1125 30.341,1126 14.916,1127 2,1128 6.924,1129 25.91,1130 3.428,1131 15.968,1132 19.308,1134 32.842,1135 16.116,1136 1.718,1137 5.96,1138 27.838,1139 3.017,1140 17.174,1141 20.779,1142 7.91,1143 35.364,1144 17.336,1145 1.372,1146 4.59,1147 29.772,1148 2.588,1149 18.373,1150 22.21,1152 37.877,1153 18.552,1154 5794,1155 10392,1156 17.512,1157 28.364,1158 41.13,1159 43.784,1160 43.412,1161 40.218,1162 40.251,1163 53.525,1164 5.069,1165 118.812,1166 39.845,1167 5.645,1168 5.895,1169 6.929,1170 5.403,1171 5.389,1172 7.36,1173 3.349,1174 20.478,1175 5.433,1176 13.715,1177 1.523,1178 1.622,1179 1.608,1180 1.49,1181 1.491,1182 1.982,1183 0.188,1184 4.4,1185 1.476,1186 4.067,1187 4.073,1188 4.042,1189 4.006,1190 7.45,1191 4.013,1192 3.86,1193 3.88,1194 3.803,1195 3.797,1196 7.424,1197 3.795,1198 3.617,1199 3.635,1200 3.556,1201 3.459,1202 7.413,1203 3.477,1204 3.443,1205 3.491,1206 3.304,1207 3.26,1208 4.869,1209 3.255,1210 3.234,1211 3.292,1212 3.126,1213 2.987,1214 4.683,1215 3.013,1216 3.135,1217 3.135,1218 3.018,1219 2.916,1220 4.471,1221 2.929,1222 3.008,1223 3.008,1224 2.924,1225 2.783,1226 4.373,1227 2.81,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.863,1233 2.715,1234 0.176,1235 0.144,1236 0.265,1237 0.163,1238 0.126,1239 4.746,1240 0.161,1241 3.895,1242 0.062,1243 7.16,1244 0.462,1245 4.403,1246 0.127,1247 3.389,1248 4.36,1249 1.674,1250 12.478,1251 3.433,1252 2.018,1253 2.011,1254 2.079,1255 2.092,1256 1.217,1257 2.085,1258 1.855,1259 1.834,1260 1.963,1261 1.941,1262 1.053,1263 1.948,1264 1.545,1265 1.526,1266 1.807,1267 1.774,1268 0.939,1269 1.777,1270 1.426,1271 1.368,1272 1.602,1273 1.605,1274 0.671,1275 1.606,1276 1.18,1277 1.113,1278 1.521,1279 1.478,1280 0.559,1281 1.496,1282 1.032,1283 1.019,1284 1.194,1285 1.26,1286 0.237,1287 1.215,1288 0.886,1289 0.875,1290 1.181,1291 1.158,1292 0.218,1293 1.117,1294 0.886,1295 0.821,1296 1.066,1297 1.062,1298 0.128,1299 1.107,1300 4.007,1302 5.333,1304 6.887,1306 8.552,1308 10.28,1310 3.179,1315 0.112,1318 10.131,1326 27.788,1327 57.611,1328 132.15,1329 166.15,1330 184.15,1331 192.15,1332 194.15,1333 64.253,1334 7.164,1335 69.67,1336 69.67,1337 18,1338 12.663,1339 4.087,1340 3.459,1341 41.269,1342 73,1343 98,1344 0.277,1345 171.144,1346 313.23,1347 409.352,1348 10692,1350 17.974,1351 0.719,1352 0.555,1353 17.974,1354 13.867,1355 12.079,1356 0.447,1357 0.29,1358 7.706,1359 11.58,1360 7.489,1361 6.222,1362 12.079,1363 7.823,1364 10.44,1365 0.275,1366 0.142,1367 10.44,1368 5.403,1369 9.298,1370 0.172,1371 0.074,1372 9.298,1373 3.979,1374 8.036,1375 0.109,1376 0.038,1377 8.036,1378 2.807,1379 6.551,1380 0.067,1381 0.02,1382 6.551,1383 1.932,1384 0.412,1385 76.229,1386 0.239,1387 23.474,1388 0.84,1389 130,1390 460.678,1391 142.953,1392 431.33,1393 575.86,1394 402,1395 157,1396 405.909,1397 169.292,1398 409.932,1399 606.79,1400 385,1401 4.283}
{0 CHEMBL131037,1 1.738,2 5.778,3 2.462,4 6.063,5 68.692,6 11.042,7 0.316,8 3.402,9 3.441,10 3.28,11 3.008,12 4.724,13 3.024,14 3.897,15 3.982,16 3.702,17 3.368,18 5.209,19 3.391,20 4.021,21 4.038,22 4.134,23 3.537,24 5.653,25 3.577,26 4.1,27 4.135,28 3.988,29 3.47,30 5.782,31 3.516,32 4.141,33 4.251,34 3.83,35 3.367,36 5.791,37 3.345,38 3.975,39 4.137,40 3.438,41 3.078,42 5.37,43 2.973,44 3.547,45 3.694,46 2.463,47 2.534,48 4.847,49 2.334,50 2.625,51 2.809,52 1.097,53 1.81,54 3.629,55 1.46,56 0.187,57 0.289,58 1.137,59 2.164,60 15.453,61 1.982,62 0.486,63 0.456,64 7.55,65 3.943,66 42.755,67 3.433,68 0.558,69 0.485,70 9.026,71 4.249,72 61.469,73 3.185,74 0.687,75 0.533,76 5.052,77 4.522,78 66.726,79 3.556,80 0.848,81 0.566,82 9.757,83 5.332,84 86.685,85 5.336,86 0.708,87 0.46,88 14.165,89 5.073,90 86.117,91 4.804,92 0.615,93 0.242,94 18.456,95 3.576,96 69.066,97 2.469,98 0.177,99 0.091,100 10.589,101 1.636,102 15.86,103 1.754,104 41,105 28,106 0.345,107 0.661,108 0.661,109 0.661,110 0.661,111 0.661,112 2.964,113 0.896,114 -3.17,115 -3.16,116 -3.04,120 46.2,125 2,139 2,143 2,144 2,145 2,158 2,174 2,177 6,185 2,189 8,197 5,200 2,201 4,209 2,213 4,214 4,222 2,227 2,235 2,274 304,275 11.845,276 11.845,277 11.845,278 11.845,279 11.845,280 10.621,281 11.489,282 6.536,283 12.316,284 9.121,285 9.121,286 9.121,287 9.121,288 9.121,289 7.047,290 11.912,291 2.816,292 9.794,293 2.962,294 1.366,295 1.366,296 1.366,297 1.366,298 1.366,299 3.605,303 2,306 1,307 1,308 208,309 2.449,313 78.334,317 67.716,320 0.741,321 33.017,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.667,333 104,334 4.736,335 3.919,336 7.143,337 4.364,338 3.383,339 4.413,340 0.86,341 12.379,342 3.312,343 4.09,344 3.43,345 6.188,346 3.57,347 2.667,348 3.579,349 0.86,350 8.747,351 2.482,352 3.842,353 3.112,354 6.104,355 3.509,356 2.523,357 3.176,359 8.537,360 2.359,361 3.282,362 2.659,363 5.24,364 2.907,365 1.956,366 2.432,368 5.858,369 1.824,370 3.156,371 2.582,372 4.884,373 2.678,374 1.745,375 2.351,377 5.044,378 1.563,379 2.322,380 1.848,381 3.646,382 1.71,383 0.791,384 1.023,386 1.6,387 0.699,388 1.898,389 1.708,390 3.531,391 1.522,392 0.537,393 0.743,395 1.099,396 0.492,397 1.554,398 1.216,399 3.06,400 1.274,401 0.485,402 0.507,404 0.988,405 0.348,406 1.44,407 1.017,408 2.541,409 0.958,410 0.209,411 0.237,413 0.329,414 0.131,415 0.931,416 0.127,417 2.237,418 0.469,419 -0.509,420 -0.61,422 -0.88,423 -0.454,424 0.773,425 0.044,426 2.216,427 0.409,428 -0.567,429 -0.788,431 -1.533,432 -0.559,434 -0.282,435 2,436 -0.402,437 -1.264,438 -1.51,440 -3.075,441 -0.744,443 -0.797,444 1.63,445 -0.428,446 -1.338,447 -1.58,449 -3.443,450 -1.198,451 -0.059,452 -0.892,453 1.352,454 -0.614,455 -1.441,456 -1.729,458 -3.975,459 -1.265,460 -0.357,461 -1.16,462 1.244,463 -0.739,464 -1.575,465 -2.052,467 -4.616,468 -1.559,469 8.762,470 0.487,471 0.563,472 0.031,473 23,474 1.278,475 11.5,476 0.639,477 11.5,478 0.639,479 13.351,480 0.742,481 19.438,482 0.748,483 17.099,484 0.95,485 4.849,486 0.269,487 3.674,488 0.204,489 0.353,491 0.457,496 0.717,497 1.145,498 0.475,499 0.862,500 0.579,501 0.78,502 1.108,503 0.661,504 0.561,505 0.445,506 0.764,507 0.403,508 0.948,509 1.04,510 0.594,511 0.867,512 0.91,513 0.645,514 0.887,515 1.274,516 0.659,517 1.076,518 0.935,519 0.958,520 0.559,521 1.179,522 0.679,523 1.043,524 0.761,525 1.104,526 1.086,527 1.126,528 1.188,529 1.156,530 1.436,531 1.312,532 2.29,533 0.538,534 2.867,535 1.353,536 2.09,537 1.677,538 1.29,539 1.093,540 3.879,541 2.624,542 0.945,543 2.666,544 3.5,546 2.889,547 2.125,548 2.151,549 0.986,550 0.282,554 1977,555 9545,556 1.901,557 30.8,559 8,567 1.601,568 1.688,569 2.56,570 -0.654,574 1,575 45.192,576 1.738,577 3.335,578 3.335,579 3.335,580 3.335,581 3.335,582 1.837,583 2.948,584 4.143,585 2.6,586 397.725,587 7.102,588 3699.97,589 1,590 1,592 1,593 122.211,594 1.53,595 4.036,596 0.184,598 0.103,599 0.061,600 0.067,601 0.041,602 0.024,606 0.48,607 0.83,608 1,609 1.112,610 72.717,611 -0.058,612 -0.122,613 0.004,614 -0.077,615 -0.057,616 -0.027,617 -0.227,618 0.351,619 0.116,620 0.446,621 -0.093,622 0.482,623 -0.002,624 -0.064,625 0.234,626 0.008,627 0.046,628 0.099,629 0.121,630 -0.293,631 0.043,632 -0.221,633 0.113,634 -0.191,635 0.41,636 -0.21,637 0.164,638 -0.104,639 0.29,640 -0.121,641 -0.083,642 -0.197,643 -0.031,644 -0.108,645 -0.216,646 -0.175,647 -0.923,648 0.32,649 -1.092,650 -0.14,651 -0.763,652 -0.533,653 -0.44,654 -0.314,655 -1.571,656 -1.329,657 -0.37,658 -1.321,659 2.216,660 5.058,661 0.556,662 9.432,663 1.053,664 1.108,665 1.942,666 3.771,667 0.744,668 2.996,669 3.367,670 3.738,671 4.007,672 4.263,673 4.29,674 4.19,675 4.007,676 3.892,677 3.555,678 3.737,679 0.736,680 287.1,681 2.996,682 4.554,683 5.451,684 6.368,685 7.288,686 8.212,687 9.136,688 10.061,689 10.986,690 11.912,709 2,714 4,716 6,721 2,735 2,738 26,739 9,740 1,741 19,743 27,744 12,745 6,746 4,747 2,748 4,749 2,752 2,753 3,754 2,768 10,769 2,771 2,772 3,778 2,782 4,786 1,789 8,790 4,792 6,793 2,803 0.5,804 4,823 2,827 1,845 2,855 1,859 2,860 2,862 18,872 2,885 2,886 15.4,889 2,891 2,893 10.667,894 5.619,895 4.139,896 1.349,898 1.844,899 1.295,900 0.938,901 3.547,902 8.101,903 3.258,904 3.882,905 4.541,906 5.087,907 5.618,908 5.852,909 6.068,910 6.182,911 6.354,912 6.233,913 0.75,914 35,915 6.661,917 2.923,918 8.309,919 11.837,921 9.329,924 2.809,925 50.556,929 94.169,930 74.845,932 78.297,933 72.29,936 74.845,937 244.756,939 21.766,941 18.952,942 67.558,943 38.858,945 94.169,946 78.297,947 94.169,948 74.845,949 72.29,950 78.297,952 94.169,953 72.29,957 67.844,958 85.299,960 94.169,961 72.29,962 153.142,965 94.169,966 34.126,967 40.719,969 150.587,970 94.169,971 72.29,972 153.142,973 0.59,974 0.397,975 0.217,976 0.122,977 14,978 8,979 0.074,980 2,981 1,982 1.2,983 2.716,984 135.201,985 0.2,986 10,987 57.059,993 13.242,994 4.822,995 1.91,997 72.29,998 3.068,1003 0.672,1006 319.601,1007 25,1013 24.117,1017 -1.708,1020 27.375,1021 28.802,1022 0.37,1023 0.709,1024 0.709,1025 0.709,1026 0.709,1027 0.709,1028 4.527,1029 0.485,1030 5.493,1031 1.099,1032 4.043,1033 4.564,1034 1.376,1035 6.425,1036 3.927,1037 5.785,1038 0.209,1039 7.146,1040 0.988,1041 3.892,1042 4.635,1044 7.585,1045 3.733,1046 7.148,1047 -0.509,1048 8.899,1049 0.329,1050 5.759,1051 6.84,1052 1.159,1053 10.756,1054 5.591,1055 8.55,1056 -0.567,1057 10.705,1058 -0.88,1059 6.399,1060 7.688,1062 12.69,1063 6.189,1064 9.983,1065 -1.264,1066 12.545,1067 -1.533,1068 7.797,1069 9.422,1070 0.963,1071 15.428,1072 7.591,1073 11.437,1074 -1.338,1075 14.406,1076 -3.075,1077 8.766,1078 10.605,1080 17.692,1081 8.532,1082 12.908,1083 -1.441,1084 16.284,1085 -3.443,1086 10.02,1087 12.175,1088 0.787,1089 20.284,1090 9.784,1091 3.383,1092 -1.575,1093 18.175,1094 -3.975,1095 11.128,1096 13.513,1098 22.692,1099 10.873,1100 2.667,1101 12.379,1102 20.077,1103 -4.616,1104 12.342,1105 15.023,1106 0.634,1107 25.233,1108 12.079,1109 2.523,1110 8.747,1111 21.987,1112 4.413,1113 13.509,1114 16.433,1116 27.703,1117 13.229,1118 1.956,1119 8.537,1120 23.905,1121 3.579,1122 14.715,1123 17.922,1124 0.504,1125 30.226,1126 14.424,1127 1.745,1128 5.858,1129 25.829,1130 3.176,1131 15.908,1132 19.368,1134 32.722,1135 15.601,1136 0.791,1137 5.044,1138 27.759,1139 2.432,1140 17.116,1141 20.849,1142 0.395,1143 35.24,1144 16.794,1145 0.537,1146 1.6,1147 29.693,1148 2.351,1149 18.321,1150 22.313,1152 37.747,1153 17.982,1154 2158,1155 4823,1156 11.561,1157 19.341,1158 28.958,1159 32.225,1160 32.432,1161 28.501,1162 28.591,1163 36.92,1164 3.44,1165 89.162,1166 26.419,1167 5.574,1168 5.919,1169 6.709,1170 5.364,1171 5.383,1172 7.413,1173 1.72,1174 20.379,1175 5.312,1176 11.626,1177 1.524,1178 1.696,1179 1.707,1180 1.5,1181 1.505,1182 1.943,1183 0.181,1184 4.693,1185 1.39,1186 4.028,1187 4.023,1188 4.154,1189 3.957,1190 7.437,1191 3.967,1192 3.557,1193 3.553,1194 3.777,1195 3.468,1196 7.419,1197 3.465,1198 3.339,1199 3.377,1200 3.402,1201 3.064,1202 4.934,1203 3.097,1204 3.136,1205 3.224,1206 3.183,1207 2.866,1208 4.829,1209 2.854,1210 3.056,1211 3.04,1212 3.048,1213 2.802,1214 4.598,1215 2.831,1216 2.761,1217 2.766,1218 2.877,1219 2.687,1220 4.422,1221 2.673,1222 2.529,1223 2.564,1224 2.871,1225 2.343,1226 4.108,1227 2.346,1228 2.14,1229 2.107,1230 2.353,1231 1.766,1232 3.515,1233 1.837,1234 0.249,1235 0.206,1236 0.376,1237 0.23,1238 0.178,1239 4.736,1240 0.232,1241 3.919,1242 0.045,1243 7.143,1244 0.652,1245 4.364,1246 0.174,1247 3.383,1248 4.413,1249 0.86,1250 12.379,1251 3.312,1252 1.961,1253 1.962,1254 1.992,1255 2.049,1256 1.157,1257 2.032,1258 1.476,1259 1.476,1260 1.592,1261 1.616,1262 0.613,1263 1.605,1264 1.246,1265 1.197,1266 1.564,1267 1.571,1268 0.587,1269 1.573,1270 1.124,1271 1.031,1272 1.453,1273 1.403,1274 0.537,1275 1.44,1276 0.906,1277 0.904,1278 0.97,1279 1.165,1280 0.042,1281 1.092,1282 0.703,1283 0.691,1284 0.741,1285 0.787,1287 0.811,1288 0.453,1289 0.431,1290 0.621,1291 0.712,1293 0.693,1296 0.027,1297 0.281,1299 0.186,1300 3.664,1302 5.017,1304 6.608,1306 8.312,1308 10.077,1310 2.793,1311 11.491,1318 10.123,1326 19.148,1327 45.192,1328 86.702,1329 86.702,1330 86.702,1331 86.702,1332 86.702,1333 46.499,1334 6.258,1335 52.6,1336 52.6,1337 12,1338 12.417,1339 3.322,1340 2.807,1341 30.464,1342 41,1343 38,1344 0.41,1345 126.178,1346 230.28,1347 299.635,1348 3055,1349 7.7,1350 13.447,1351 0.747,1352 0.614,1353 14.447,1354 11.055,1355 8.523,1356 0.449,1357 0.299,1358 4.87,1359 7.562,1360 4.64,1361 3.836,1362 9.101,1363 5.678,1364 7.505,1365 0.268,1366 0.152,1367 8.172,1368 4.262,1369 7.192,1370 0.175,1371 0.084,1372 8.327,1373 3.432,1374 5.613,1375 0.104,1376 0.04,1377 6.138,1378 2.135,1379 4.578,1380 0.065,1381 0.021,1382 4.992,1383 1.459,1384 0.582,1385 60.876,1386 0.294,1387 17.043,1388 1.342,1389 94,1390 393.349,1391 135.003,1392 422.558,1393 537.52,1394 390,1395 116,1396 327.089,1397 159.061,1398 350.447,1399 521.1,1400 325,1401 5.341}
{0 CHEMBL1310435,1 1.743,2 10.25,3 3.448,4 11.888,5 108.447,6 8.788,7 0.567,8 3.912,9 4.01,10 3.644,11 3.536,12 5.201,13 3.503,14 4.371,15 4.493,16 4.05,17 3.924,18 5.773,19 3.872,20 4.576,21 4.703,22 4.109,23 4.047,24 5.852,25 3.987,26 4.722,27 4.871,28 4.258,29 4.061,30 6.084,31 4.017,32 4.757,33 4.919,34 4.134,35 4.032,36 6.126,37 3.969,38 4.704,39 4.874,40 4.035,41 3.928,42 6.312,43 3.856,44 4.61,45 4.817,46 3.757,47 3.781,48 5.888,49 3.702,50 4.387,51 4.57,52 3.759,53 3.659,54 5.686,55 3.601,56 0.173,57 0.642,58 7.067,59 3.973,60 11.797,61 4.379,62 0.322,63 0.98,64 13.909,65 6.975,66 61.271,67 8.057,68 0.276,69 1.203,70 20.378,71 9.078,72 44.197,73 9.505,74 0.476,75 1.369,76 23.049,77 9.391,78 62.076,79 9.937,80 0.626,81 1.383,82 28.085,83 10.323,84 95.72,85 10.269,86 0.875,87 1.292,88 27.296,89 9.612,90 163.482,91 10.128,92 0.592,93 1.144,94 25.614,95 8.651,96 101.449,97 9.544,98 0.368,99 0.923,100 18.272,101 6.98,102 60.94,103 7.759,104 54,105 43,106 0.296,107 0.614,108 0.724,109 0.83,110 0.851,111 0.851,112 3.375,113 0.916,114 -4.51,115 -4.44,116 -4.18,120 44.4,121 2,143 8,144 5,145 1,153 1,154 1,159 2,164 1,165 1,166 1,167 2,174 13,176 1,177 4,179 1,180 2,182 4,185 18,187 1,189 10,194 4,197 14,199 1,201 12,204 1,205 1,206 5,208 1,209 10,211 2,213 1,214 7,217 1,219 6,222 10,224 3,226 3,227 6,229 1,230 3,232 6,235 8,237 3,240 7,245 4,247 9,249 3,252 8,257 1,260 11,262 1,263 1,264 6,266 1,267 1,269 1,271 10,273 1,274 1202,275 18.259,276 18.259,277 18.259,278 18.259,279 18.259,280 15.579,281 18.316,282 10.582,283 18.518,284 14.758,285 14.758,286 14.758,287 14.758,288 14.758,289 10.72,290 22.398,291 4.957,292 15.163,293 3.748,294 1.873,295 1.223,296 0.6,297 0.478,298 0.478,299 4.048,306 1,307 1,308 600,309 3.742,312 83.952,313 197.397,320 1.5,321 41.569,324 1,325 1,326 1,327 0.6,329 0.83,330 1,331 0.78,332 61.5,333 287,334 4.659,335 3.809,336 7.022,337 4.269,338 3.303,339 4.397,340 2.612,341 11.99,342 3.198,343 4.432,344 3.647,345 6.399,346 4.001,347 3.013,348 4.158,349 1.058,350 9.704,351 2.975,352 4.011,353 3.525,354 6.01,355 3.635,356 2.646,357 3.466,358 0.98,359 8.456,360 2.61,361 3.853,362 3.047,363 5.851,364 3.453,365 2.455,366 3.36,368 7.839,369 2.446,370 3.505,371 2.666,372 5.135,373 3.052,374 2.107,375 2.81,377 5.895,378 1.97,379 3.465,380 2.424,381 4.879,382 2.885,383 1.904,384 2.786,386 5.202,387 1.866,388 3.182,389 2.07,390 4.7,391 2.754,392 1.799,393 2.4,395 4.753,396 1.694,397 2.863,398 1.877,399 4.085,400 2.412,401 1.437,402 1.981,404 3.357,405 1.387,406 2.718,407 1.593,408 4.015,409 2.215,410 1.2,411 1.703,413 3.114,414 1.2,415 2.607,416 1.344,417 3.604,418 2,419 1,420 1.595,422 2.418,423 1,424 2.5,425 1.158,426 3.515,427 2,428 1,429 1.5,431 2.31,432 1,433 2.381,434 1,435 3.247,436 1.833,437 0.872,438 1.273,440 2.136,441 0.819,442 1.249,443 1,444 2.88,445 0.927,446 -0.051,447 -0.062,449 -0.125,450 -0.05,451 1.126,452 0.48,453 2.527,454 0.739,455 -0.274,456 -0.348,458 -0.706,459 -0.274,460 1,461 0.296,462 2.333,463 0.511,464 -0.417,465 -0.513,467 -1.02,468 -0.38,469 13.367,470 0.477,471 0.881,472 0.031,473 39.5,474 1.411,475 22.5,476 0.804,477 17,478 0.607,479 22.023,480 0.787,481 29.233,482 0.65,483 32.034,484 1.144,485 7.899,486 0.282,487 5.391,488 0.193,489 0.204,491 0.404,496 0.488,497 0.873,498 0.693,499 0.759,500 0.57,501 0.781,502 0.38,503 0.948,504 0.668,505 0.879,506 0.4,507 0.824,508 0.823,509 1.256,510 1.168,511 1.256,512 0.758,513 1.082,514 0.971,515 1.187,516 0.917,517 1.137,518 0.968,519 1.047,520 1.305,521 1.036,522 1.296,523 1.114,524 1.28,525 1.026,526 0.98,527 1.017,528 1.264,529 1.098,530 0.963,531 1.062,532 1.302,533 0.895,534 1.101,535 0.895,536 1.267,537 0.938,538 0.998,539 1.016,540 0.843,541 0.998,542 1.06,543 0.97,544 6,545 0.115,546 3.556,547 2.944,548 2.189,549 1.334,550 0.62,551 0.502,552 0.312,553 0.377,554 8695,555 29958,556 1.972,557 37.8,558 3,559 8,562 3,563 3,567 1.714,568 1.787,569 3.326,570 0.953,572 1,575 78.453,576 1.743,577 3.619,578 4.269,579 4.891,580 5.014,581 5.014,582 2.74,583 4.522,584 4.781,585 3.497,586 1321.74,587 8.332,588 17138.9,590 1,592 1,593 247.133,594 1.56,595 4.702,596 0.2,597 0.005,598 0.083,599 0.064,600 0.047,601 0.031,602 0.016,603 0.017,604 0.011,605 0.014,606 0.487,607 0.17,608 1,609 0.944,610 139.197,611 0.1,612 0.23,613 0.034,614 0.165,615 -0.062,616 0.086,617 0.258,618 0.071,619 0.201,620 0.128,621 0.213,622 0.129,623 -0.083,624 -0.223,625 -0.148,626 -0.174,627 -0.045,628 -0.125,629 -0.022,630 -0.154,631 0.068,632 -0.142,633 -0.051,634 -0.115,635 -0.19,636 -0.006,637 -0.164,638 -0.049,639 -0.165,640 -0.074,641 0.169,642 0.007,643 -0.137,644 -0.053,645 0.205,646 -0.106,647 -0.226,648 0.06,649 -0.068,650 0.083,651 -0.176,652 0.069,653 -0.064,654 -0.059,655 0.112,656 -0.032,657 -0.107,658 0.023,659 2.538,660 5.653,661 0.607,662 23.929,663 1.019,664 1.115,665 3.28,666 10.761,667 0.707,668 3.434,669 3.784,670 4.06,671 4.344,672 4.522,673 4.543,674 4.575,675 4.635,676 4.673,677 4.754,678 6.222,679 0.684,680 395.47,681 3.434,682 4.99,683 5.849,684 6.746,685 7.629,686 8.531,687 9.421,688 10.325,689 11.22,690 12.125,691 6.7,698 2,702 1,709 8,713 1,714 8,716 17,722 1,723 1,731 1,738 45,739 21,740 2,741 30,743 47,744 20,745 16,746 4,747 8,748 2,752 3,753 3,759 2,768 18,769 2,772 4,775 1,778 4,782 2,786 1,789 17,790 6,791 3,792 8,793 1,797 3,803 1,804 4,822 1,823 2,855 3,857 1,859 2,862 28,863 1,871 1,880 1,886 8.9,889 2,892 2,893 15.667,894 8.783,895 6.139,896 2.485,898 3.08,899 1.429,900 0.983,901 5.682,902 10.26,903 3.773,904 4.41,905 4.979,906 5.576,907 6.044,908 6.281,909 6.562,910 6.846,911 7.108,912 7.42,913 0.857,914 46,915 10.375,917 4.522,918 8.179,919 18.907,921 15.261,924 2.679,925 75,928 1,929 164.795,930 155.12,931 56.578,933 101.037,935 31.278,936 123.842,937 265.832,938 56.578,939 23.32,940 50.908,941 75.81,942 59.699,943 19.614,944 1.358,945 196.073,946 50.747,947 164.795,948 180.42,949 101.037,950 31.278,952 164.795,953 50.29,954 50.747,956 69.488,957 105.262,958 5.67,959 31.278,960 164.795,961 157.615,962 155.12,965 164.795,966 61.66,967 99.13,968 18.011,969 133.934,970 164.795,971 157.615,972 155.12,973 0.591,974 0.35,975 0.195,976 0.106,977 20,978 11,979 0.106,980 5,982 1,983 3.75,984 243.973,986 17,987 128.606,989 1,993 19.867,994 8.008,995 4.036,997 151.945,998 13.501,1002 1.234,1003 3.29,1005 50.908,1006 477.53,1007 42.5,1010 -0.538,1013 47.012,1017 -1.208,1020 45.876,1021 50.159,1022 0.317,1023 0.659,1024 0.777,1025 0.891,1026 0.913,1027 0.913,1028 5.012,1029 1.437,1030 5.866,1031 4.753,1032 4.466,1033 5.097,1034 2.795,1035 6.725,1036 4.416,1037 6.258,1038 1.2,1039 7.463,1040 3.357,1041 4.205,1042 5.056,1043 2.361,1044 7.753,1045 4.139,1046 7.591,1047 1,1048 9.163,1049 3.114,1050 6.103,1051 7.339,1052 4.221,1053 10.88,1054 6.008,1055 8.961,1056 1,1057 10.922,1058 2.418,1059 6.635,1060 8.091,1061 4.506,1062 12.753,1063 6.521,1064 10.36,1065 0.872,1066 12.718,1067 2.31,1068 8.058,1069 9.884,1070 5.96,1071 15.418,1072 7.919,1073 11.782,1074 -0.051,1075 14.542,1076 2.136,1077 8.942,1078 11,1079 6.556,1080 17.641,1081 8.778,1082 13.223,1083 -0.274,1084 16.385,1085 -0.125,1086 10.192,1087 12.599,1088 7.796,1089 20.16,1090 10.003,1091 3.303,1092 -0.417,1093 18.243,1094 -0.706,1095 11.234,1096 13.89,1097 8.548,1098 22.53,1099 11.014,1100 3.013,1101 11.99,1102 20.114,1103 -1.02,1104 12.423,1105 15.407,1106 9.67,1107 25.008,1108 12.176,1109 2.646,1110 9.704,1111 21.995,1112 4.397,1113 13.535,1114 16.785,1115 10.509,1116 27.438,1117 13.256,1118 2.455,1119 8.456,1120 23.884,1121 4.158,1122 14.707,1123 18.268,1124 11.563,1125 29.909,1126 14.398,1127 2.107,1128 7.839,1129 25.78,1130 3.466,1131 15.852,1132 19.688,1133 12.452,1134 32.366,1135 15.51,1136 1.904,1137 5.895,1138 27.683,1139 3.36,1140 17.021,1141 21.159,1142 13.468,1143 34.838,1144 16.648,1145 1.799,1146 5.202,1147 29.59,1148 2.81,1149 18.183,1150 22.6,1151 14.386,1152 37.307,1153 17.775,1154 8647,1155 16209,1156 19.016,1157 31.813,1158 46.351,1159 48.306,1160 48.15,1161 45.498,1162 45.469,1163 62.858,1164 9.301,1165 134.345,1166 44.328,1167 5.503,1168 5.809,1169 6.824,1170 5.397,1171 5.303,1172 7.397,1173 4.612,1174 19.202,1175 5.198,1176 17.832,1177 1.545,1178 1.61,1179 1.605,1180 1.517,1181 1.516,1182 2.095,1183 0.31,1184 4.478,1185 1.478,1186 4.058,1187 4.073,1188 4.282,1189 4.04,1190 7.815,1191 4.002,1192 3.982,1193 3.999,1194 3.975,1195 3.893,1196 7.438,1197 3.897,1198 3.756,1199 3.779,1200 3.771,1201 3.72,1202 7.428,1203 3.685,1204 3.533,1205 3.55,1206 3.522,1207 3.215,1208 6.999,1209 3.26,1210 3.334,1211 3.384,1212 3.341,1213 3.082,1214 4.904,1215 3.099,1216 3.322,1217 3.382,1218 3.245,1219 3.002,1220 4.778,1221 3.074,1222 3.039,1223 3.134,1224 2.885,1225 2.824,1226 4.656,1227 2.808,1228 2.902,1229 2.981,1230 2.765,1231 2.741,1232 4.478,1233 2.731,1234 0.155,1235 0.127,1236 0.234,1237 0.142,1238 0.11,1239 4.659,1240 0.147,1241 3.809,1242 0.087,1243 7.022,1244 0.4,1245 4.269,1246 0.107,1247 3.303,1248 4.397,1249 2.612,1250 11.99,1251 3.198,1252 1.95,1253 1.929,1254 2.04,1255 2.1,1256 1.161,1257 2.067,1258 1.924,1259 1.902,1260 2.03,1261 1.992,1262 1.141,1263 2.006,1264 1.566,1265 1.547,1266 1.706,1267 1.768,1268 0.84,1269 1.723,1270 1.499,1271 1.48,1272 1.602,1273 1.683,1274 0.73,1275 1.664,1276 1.292,1277 1.261,1278 1.524,1279 1.594,1280 0.61,1281 1.566,1282 1.18,1283 1.134,1284 1.294,1285 1.513,1286 0.28,1287 1.513,1288 0.997,1289 0.922,1290 1.234,1291 1.305,1292 0.218,1293 1.318,1294 0.896,1295 0.828,1296 1.181,1297 1.11,1298 0.213,1299 1.132,1300 4.111,1302 5.451,1303 2.398,1304 6.98,1305 4.844,1306 8.597,1307 7.034,1308 10.263,1310 3.436,1313 5.591,1317 2.681,1326 30.798,1327 78.453,1328 162.869,1329 192.114,1330 220.114,1331 225.624,1332 225.624,1333 75.561,1334 7.179,1335 118.01,1336 146.25,1337 17,1338 12.645,1339 4.459,1340 3.755,1341 49.529,1342 104,1343 95,1344 0.235,1345 195.734,1346 342.41,1347 469.352,1348 11378,1350 20.422,1351 0.729,1352 0.571,1353 20.775,1354 16.001,1355 13.291,1356 0.443,1357 0.305,1358 8.316,1359 12.33,1360 7.976,1361 6.658,1362 13.699,1363 9.159,1364 12.441,1365 0.289,1366 0.172,1367 13.143,1368 7.405,1369 9.919,1370 0.174,1371 0.093,1372 10.611,1373 5.309,1374 8.532,1375 0.112,1376 0.053,1377 9.497,1378 4.019,1379 6.625,1380 0.073,1381 0.03,1382 7.473,1383 2.686,1384 0.363,1385 87.576,1386 0.229,1387 26.388,1388 0.66,1389 146,1390 501.093,1391 185.865,1392 505.698,1393 669.4,1394 464,1395 173,1396 469.479,1397 207.351,1398 488.502,1399 709.15,1400 457,1401 6.796}
{0 CHEMBL1310617,1 1.714,2 11.44,3 3.254,4 10.59,5 98.713,6 8.496,7 0.667,8 3.853,9 3.977,10 3.52,11 3.373,12 5.042,13 3.373,14 4.321,15 4.491,16 3.842,17 3.714,18 5.509,19 3.683,20 4.539,21 4.765,22 3.837,23 3.788,24 5.604,25 3.727,26 4.474,27 4.704,28 3.771,29 3.696,30 5.57,31 3.638,32 4.415,33 4.634,34 3.714,35 3.69,36 5.527,37 3.633,38 4.386,39 4.599,40 3.74,41 3.661,42 5.55,43 3.605,44 4.343,45 4.568,46 3.622,47 3.598,48 5.439,49 3.518,50 4.24,51 4.464,52 3.488,53 3.475,54 5.322,55 3.391,56 0.09,57 0.665,58 7.078,59 3.197,60 10.92,61 4.01,62 0.279,63 0.994,64 13.464,65 5.302,66 26.792,67 6.82,68 0.374,69 1.106,70 22.452,71 6.629,72 39.19,73 9.022,74 0.422,75 1.032,76 20.605,77 5.938,78 38.758,79 8.263,80 0.372,81 1.014,82 18.961,83 5.789,84 34.448,85 7.82,86 0.348,87 0.977,88 16.687,89 5.411,90 35.682,91 7.583,92 0.323,93 0.9,94 17.479,95 5.689,96 28.944,97 7.686,98 0.276,99 0.774,100 16.609,101 5.146,102 29.171,103 6.977,104 9,105 35,106 0.299,107 0.663,108 0.835,109 0.916,110 0.916,111 0.916,112 3.266,113 0.906,114 -4.06,115 -4.01,116 -3.79,120 40.5,122 1,126 2,143 6,145 2,146 1,147 2,148 1,149 1,151 1,174 2,176 2,177 4,180 3,182 5,185 5,188 1,189 2,194 1,197 3,201 4,204 1,205 1,206 3,209 3,213 2,214 3,217 2,219 2,222 1,227 4,230 2,235 3,239 1,240 4,243 2,244 1,247 3,252 3,257 1,260 1,264 5,267 1,269 4,271 2,274 987,275 17.231,276 17.231,277 17.231,278 17.231,279 17.231,280 15.071,281 20.072,282 10.723,283 17.792,284 13.369,285 13.369,286 13.369,287 13.369,288 13.369,289 10.187,290 33.612,291 5.132,292 14.338,293 3.678,294 1.596,295 0.607,296 0.143,297 0.143,298 0.143,299 3.954,303 1,305 1,306 1,307 1,308 604,309 2.828,313 250.699,320 1.933,321 22.103,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 54.333,333 286,334 4.307,335 3.031,336 6.198,337 3.892,338 2.937,339 3.968,340 0.4,341 9.306,342 2.805,343 4.071,344 2.937,345 5.632,346 3.642,347 2.7,348 3.668,349 0.4,350 7.844,351 2.536,352 3.863,353 2.689,354 5.346,355 3.384,356 2.464,357 3.42,359 6.984,360 2.26,361 3.522,362 2.456,363 5.153,364 3.129,365 2.212,366 2.831,368 6.369,369 2.018,370 3.23,371 2.085,372 4.677,373 2.77,374 1.861,375 2.486,377 5.092,378 1.636,379 2.909,380 1.838,381 4.232,382 2.59,383 1.638,384 2.067,386 3.867,387 1.542,388 2.711,389 1.525,390 3.611,391 2.357,392 1.414,393 1.798,395 3.048,396 1.326,397 2.649,398 1.285,399 3.494,400 2.175,401 1.222,402 1.718,404 2.642,405 1.147,406 2.596,407 1.21,408 3.475,409 2.123,410 1.168,411 1.604,413 2.573,414 1.107,415 2.5,416 1.065,417 3.454,418 1.93,419 1,420 1.5,422 2.406,423 0.927,424 1.786,425 1,426 2.888,427 1.608,428 0.706,429 0.749,431 1.218,432 0.632,433 1.295,434 0.221,435 2.821,436 0.94,442 0.982,443 0.145,444 2.511,445 0.696,446 -0.213,447 -0.234,449 -0.373,450 -0.192,451 0.919,452 0.083,453 2,454 0.442,455 -0.413,456 -0.517,458 -0.928,459 -0.258,460 0.844,461 -0.482,462 2,463 0.389,464 -0.512,465 -0.68,467 -1.274,468 -0.48,469 11.948,470 0.478,471 0.43,472 0.017,473 36,474 1.44,475 19,476 0.76,477 17,478 0.68,479 16.519,480 0.661,481 26.452,482 0.63,483 24.609,484 0.984,485 7.159,486 0.286,487 5.082,488 0.203,489 0.088,491 0.251,496 0.948,497 1.437,498 0.628,499 0.964,500 0.914,501 0.866,502 0.854,503 1.096,504 0.759,505 0.959,506 0.837,507 0.971,508 1.088,509 1.079,510 0.969,511 0.904,512 0.958,513 0.9,514 0.975,515 1.043,516 0.876,517 0.878,518 0.899,519 0.899,520 0.963,521 0.899,522 0.977,523 0.9,524 0.892,525 0.935,526 0.758,527 1.157,528 0.775,529 0.975,530 0.641,531 0.993,532 0.872,533 0.883,534 0.956,535 0.972,536 0.817,537 1.018,538 1.014,539 1.059,540 0.993,541 1.062,542 1.032,543 1.056,544 4.5,545 0.087,546 1.556,547 1.25,548 0.867,549 0.521,550 0.424,551 0.224,552 0.181,553 0.108,554 7421,555 23862,556 2.085,557 40.5,559 10,561 2,562 3,565 2,567 1.679,568 2,569 3.502,570 1.045,571 1,572 1,575 71.994,576 1.714,577 3.797,578 4.785,579 5.249,580 5.249,581 5.249,582 2.953,583 4.484,584 4.61,585 3.635,586 1090.55,587 7.968,588 13593.4,589 1,590 1,592 1,593 226.477,594 1.164,595 4.597,596 0.167,597 0.006,598 0.044,599 0.037,600 0.028,601 0.017,602 0.014,603 0.009,604 0.008,605 0.006,606 0.335,607 0.33,608 1,609 1.22,610 122.326,611 -0.147,612 -0.243,613 0.003,614 -0.028,615 -0.14,616 0.009,617 0.035,618 0.035,619 -0.018,620 -0.036,622 -0.078,623 -0.152,624 -0.075,625 -0.022,626 0.049,627 -0.11,628 0.058,629 -0.024,630 -0.031,631 0.021,632 0.051,633 -0.037,634 0.047,635 -0.066,636 0.152,637 -0.096,638 0.029,639 -0.101,640 -0.002,641 0.084,642 -0.105,643 0.02,644 -0.053,645 0.12,646 -0.059,647 0.009,648 0.132,649 -0.042,650 -0.019,651 -0.015,652 -0.058,653 -0.081,654 -0.091,655 -0.037,656 -0.081,657 -0.082,658 -0.071,659 1.378,660 2.833,661 0.72,662 24.938,663 1.013,664 1.134,665 2.827,666 7.99,667 0.688,668 3.332,669 3.584,670 3.784,671 4.025,672 4.234,673 4.234,674 4.331,675 4.431,676 4.5,677 4.522,678 6.616,679 0.663,680 356.85,681 3.332,682 4.828,683 5.638,684 6.482,685 7.31,686 8.162,687 8.999,688 9.855,689 10.696,690 11.554,691 14.3,696 1,699 1,701 4,709 8,710 4,714 6,716 18,729 2,737 1,738 42,739 18,740 1,741 27,743 44,744 17,745 14,746 2,747 4,752 3,753 3,754 1,759 1,766 1,768 14,769 3,785 1,786 1,789 17,790 7,791 3,792 8,793 1,797 6,803 1,804 1,805 1,817 2,823 3,853 1,855 3,860 1,862 25,868 1,869 3,871 2,885 1,886 2.4,887 1,893 12.5,894 7.31,895 5.694,896 2.377,898 3.343,899 1.473,900 0.96,901 5.988,902 10.415,903 3.611,904 4.167,905 4.698,906 5.267,907 5.815,908 5.95,909 6.342,910 6.742,911 7.11,912 7.407,913 0.875,914 34,915 9.136,917 3.734,918 7.804,919 17.23,921 13.43,924 2.304,925 57.611,928 1,929 164.795,930 95.162,931 103.164,932 39.149,933 42.683,936 95.162,937 246.627,938 103.164,940 4.64,941 99.541,942 108.695,943 47.448,944 4.227,945 141.253,946 39.149,947 164.795,948 198.325,949 42.683,950 39.149,952 141.253,953 23.542,954 42.683,956 47.73,957 65.443,958 124.302,960 164.795,961 145.847,962 134.31,965 164.795,966 20.638,967 74.523,968 36.022,969 148.974,970 164.795,971 145.847,972 134.31,973 0.556,974 0.308,975 0.169,976 0.095,977 15,978 6,979 0.159,980 7,982 1,983 3.828,984 193.97,986 18,987 116.096,993 17.396,994 8.605,995 5.02,997 145.847,998 14.118,999 17.085,1003 3.972,1005 78.705,1006 444.953,1007 36,1020 42.563,1021 47.634,1022 0.318,1023 0.704,1024 0.887,1025 0.974,1026 0.974,1027 0.974,1028 4.792,1029 1.222,1030 5.572,1031 3.048,1032 4.263,1033 4.852,1034 0.495,1035 6.286,1036 4.127,1037 5.963,1038 1.168,1039 7.059,1040 2.642,1041 3.611,1042 4.407,1044 6.934,1045 3.362,1046 7.231,1047 1,1048 8.641,1049 2.573,1050 5.753,1051 6.979,1052 0.097,1053 10.017,1054 5.5,1055 8.533,1056 0.706,1057 10.281,1058 2.406,1059 5.916,1060 7.326,1062 11.501,1063 5.567,1064 9.865,1066 11.958,1067 1.218,1068 7.492,1069 9.354,1070 0.016,1071 14.055,1072 7.133,1073 11.218,1074 -0.213,1075 13.66,1077 8.073,1078 10.11,1080 15.917,1081 7.637,1082 12.589,1083 -0.413,1084 15.382,1085 -0.373,1086 9.376,1087 11.859,1088 0.003,1089 18.263,1090 8.92,1091 2.937,1092 -0.512,1093 17.119,1094 -0.928,1095 10.181,1096 12.848,1098 20.309,1099 9.661,1100 2.7,1101 9.306,1102 18.866,1103 -1.274,1104 11.35,1105 14.437,1107 22.573,1108 10.802,1109 2.464,1110 7.844,1111 20.624,1112 3.968,1113 12.274,1114 15.568,1116 24.708,1117 11.672,1118 2.212,1119 6.984,1120 22.389,1121 3.668,1122 13.38,1123 17.063,1125 26.941,1126 12.743,1127 1.861,1128 6.369,1129 24.16,1130 3.42,1131 14.367,1132 18.282,1134 29.12,1135 13.682,1136 1.638,1137 5.092,1138 25.938,1139 2.831,1140 15.444,1141 19.721,1143 31.344,1144 14.722,1145 1.414,1146 3.867,1147 27.72,1148 2.486,1149 16.466,1150 20.994,1152 33.546,1153 15.697,1154 7269,1155 13158,1156 18.375,1157 28.915,1158 38.953,1159 39.106,1160 39.741,1161 38.857,1162 38.646,1163 51.618,1164 1.6,1165 102.697,1166 35.874,1167 5.149,1168 5.031,1169 6.108,1170 4.97,1171 4.937,1172 6.968,1173 0.8,1174 15.65,1175 4.805,1176 9.608,1177 1.443,1178 1.448,1179 1.472,1180 1.439,1181 1.431,1182 1.912,1183 0.059,1184 3.804,1185 1.329,1186 3.982,1187 4.029,1188 4.012,1189 3.87,1190 6.456,1191 3.876,1192 3.87,1193 3.907,1194 3.899,1195 3.765,1196 5.088,1197 3.777,1198 3.702,1199 3.765,1200 3.659,1201 3.509,1202 4.949,1203 3.531,1204 3.574,1205 3.636,1206 3.438,1207 3.399,1208 4.878,1209 3.4,1210 3.122,1211 3.201,1212 3.318,1213 2.873,1214 4.372,1215 2.889,1216 3.036,1217 3.113,1218 2.973,1219 2.823,1220 4.134,1221 2.833,1222 2.877,1223 2.921,1224 2.884,1225 2.779,1226 4.043,1227 2.759,1228 2.807,1229 2.88,1230 2.714,1231 2.616,1232 3.93,1233 2.629,1234 0.16,1235 0.112,1236 0.23,1237 0.144,1238 0.109,1239 4.307,1240 0.147,1241 3.031,1242 0.015,1243 6.198,1244 0.345,1245 3.892,1246 0.104,1247 2.937,1248 3.968,1249 0.4,1250 9.306,1251 2.805,1252 1.906,1253 1.875,1254 1.988,1255 2.052,1256 1.173,1257 2.031,1258 1.832,1259 1.795,1260 1.927,1261 1.961,1262 1.068,1263 1.96,1264 1.643,1265 1.579,1266 1.859,1267 1.853,1268 0.929,1269 1.857,1270 1.532,1271 1.475,1272 1.664,1273 1.74,1274 0.635,1275 1.729,1276 1.044,1277 0.963,1278 1.358,1279 1.373,1280 0.489,1281 1.37,1282 0.968,1283 0.901,1284 1.186,1285 1.222,1286 0.22,1287 1.214,1288 0.867,1289 0.824,1290 1.067,1291 1.01,1292 0.145,1293 1.052,1294 0.768,1295 0.696,1296 1.021,1297 0.988,1298 0.016,1299 1.001,1300 4.007,1302 5.273,1304 6.735,1306 8.287,1308 9.885,1311 5.995,1314 8.833,1315 1.358,1317 6.25,1326 27.832,1327 71.994,1328 159.458,1329 200.968,1330 220.477,1331 220.477,1332 220.477,1333 34.638,1334 7.072,1335 95.85,1336 95.85,1337 18,1338 12.11,1339 4.248,1340 3.322,1341 41.846,1342 97,1343 116,1344 0.208,1345 178.408,1346 299.12,1347 427.076,1348 11285,1349 2.4,1350 17.485,1351 0.699,1352 0.564,1353 17.985,1354 14.11,1355 12.242,1356 0.453,1357 0.302,1358 7.68,1359 11.444,1360 7.531,1361 6.251,1362 12.53,1363 8.15,1364 10.455,1365 0.299,1366 0.161,1367 10.863,1368 5.63,1369 8.241,1370 0.192,1371 0.082,1372 8.503,1373 3.535,1374 6.926,1375 0.126,1376 0.042,1377 7.195,1378 2.336,1379 5.508,1380 0.081,1381 0.022,1382 5.674,1383 1.469,1384 0.329,1385 79.965,1386 0.233,1387 24.633,1388 0.557,1389 124,1390 391.599,1391 152.227,1392 412.184,1393 553.64,1394 386,1395 140,1396 382.533,1397 161.774,1398 397.268,1399 574.29,1400 374,1401 5.42}
{0 CHEMBL1311214,1 1.612,2 11.25,3 3.495,4 12.216,5 106.138,6 8.162,7 0.4,8 3.915,9 4.022,10 3.549,11 3.517,12 5.174,13 3.506,14 4.403,15 4.552,16 3.891,17 3.878,18 5.624,19 3.849,20 4.678,21 4.855,22 4.021,23 4.013,24 5.944,25 3.981,26 4.764,27 4.955,28 3.951,29 3.962,30 6.187,31 3.91,32 4.724,33 4.946,34 3.81,35 3.88,36 5.989,37 3.825,38 4.57,39 4.761,40 3.883,41 3.874,42 5.972,43 3.839,44 4.627,45 4.812,46 3.874,47 3.92,48 5.961,49 3.882,50 4.6,51 4.794,52 3.791,53 3.872,54 5.91,55 3.811,56 0.05,57 0.697,58 7.334,59 3.999,60 10.974,61 4.707,62 0.208,63 1.105,64 13.967,65 6.604,66 17.833,67 8.141,68 0.253,69 1.416,70 20.528,71 8.794,72 49.963,73 10.658,74 0.585,75 1.434,76 24.153,77 9.348,78 119.768,79 11.381,80 0.589,81 1.33,82 25.349,83 8.386,84 108.666,85 10.366,86 0.371,87 1.209,88 19.332,89 7.633,90 74.589,91 9.508,92 0.396,93 1.233,94 20.95,95 8.134,96 79.638,97 9.543,98 0.299,99 1.207,100 20.381,101 8.414,102 58.417,103 10.368,104 27,105 41,106 0.273,107 0.621,108 0.751,109 0.834,110 0.844,111 0.844,112 3.375,113 0.875,114 -4.42,115 -4.35,116 -4.1,120 47.8,121 1,122 1,126 1,137 3,138 1,143 9,144 1,145 2,159 3,174 12,176 2,177 6,182 3,185 13,189 5,194 3,197 7,200 3,201 11,204 2,206 2,209 5,214 4,222 7,226 1,227 10,230 2,232 1,235 12,240 9,245 1,247 11,252 8,257 2,260 8,264 6,269 2,271 7,274 1314,275 18.836,276 18.836,277 18.836,278 18.836,279 18.836,280 16.5,281 22.831,282 11.081,283 19.029,284 14.663,285 14.663,286 14.663,287 14.663,288 14.663,289 11.084,290 27.396,291 5.137,292 14.967,293 3.911,294 1.857,295 1.088,296 0.598,297 0.538,298 0.538,299 4.054,305 1,306 1,307 1,308 664,309 3.082,313 301.661,320 1.786,321 40.7,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 61,333 315,334 4.619,335 4.152,336 6.94,337 4.276,338 3.286,339 4.093,340 2.035,341 11.549,342 3.248,343 4.021,344 3.826,345 5.949,346 3.593,347 2.627,348 3.617,349 1.349,350 8.052,351 2.54,352 3.909,353 3.314,354 5.939,355 3.536,356 2.543,357 3.445,358 0.8,359 7.968,360 2.523,361 3.866,362 2.934,363 5.407,364 3.406,365 2.393,366 3.135,367 0.4,368 7.125,369 2.415,370 3.676,371 2.776,372 5.334,373 3.33,374 2.358,375 2.847,377 6.93,378 2.282,379 3.404,380 2.694,381 4.888,382 3.012,383 2.077,384 2.677,386 5.685,387 1.92,388 3.205,389 2.498,390 3.974,391 2.521,392 1.52,393 2.096,395 3.223,396 1.52,397 2.929,398 1.881,399 3.928,400 2.054,401 1.051,402 1.598,404 2.604,405 1.041,406 2.603,407 1.715,408 3.622,409 2,410 1,411 1.5,413 2.378,414 1,415 2.5,416 1.532,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1.179,426 3.326,427 1.998,428 1,429 1.321,431 2.136,432 0.992,433 2.232,434 1,435 3.247,436 1.821,437 0.845,438 1.088,440 1.718,441 0.819,442 1.648,443 1,444 2.979,445 1.199,446 0.23,447 0.283,449 0.557,450 0.22,451 1.391,452 0.692,453 2.637,454 1.039,455 0.037,456 0.051,458 0.078,459 0.037,460 1.287,461 0.556,462 2.266,463 0.695,464 -0.264,465 -0.368,467 -0.492,468 -0.245,469 13.152,470 0.47,471 0.665,472 0.024,473 38.75,474 1.384,475 21.5,476 0.768,477 17.25,478 0.616,479 20.656,480 0.738,481 28.848,482 0.627,483 31.33,484 1.119,485 7.956,486 0.284,487 5.551,488 0.198,489 0.141,491 0.335,494 1,496 0.577,497 1.034,498 0.687,499 0.971,500 0.494,501 0.878,502 0.571,503 1.002,504 0.771,505 0.991,506 0.529,507 0.941,508 0.934,509 1.128,510 0.908,511 1.113,512 0.828,513 1.024,514 0.98,515 1.004,516 1.091,517 1.138,518 1.006,519 1.146,520 1.194,521 0.693,522 1.1,523 0.789,524 1.248,525 0.886,526 0.826,527 0.83,528 0.879,529 0.928,530 0.858,531 0.911,532 1.195,533 0.786,534 1.037,535 0.878,536 1.247,537 0.908,538 0.945,539 0.986,540 0.982,541 1.07,542 1.004,543 1.052,544 5,545 0.153,546 3.556,547 2.188,548 1.76,549 1.035,550 0.733,551 0.58,552 0.361,553 0.212,554 9328,555 29772,556 2.013,557 39.1,558 3,559 11,560 1,562 1,564 2,567 1.714,568 1.867,569 3.421,570 -0.358,572 1,575 74.163,576 1.612,577 3.667,578 4.436,579 4.926,580 4.985,581 4.985,582 2.924,583 4.209,584 4.774,585 3.589,586 1356.49,587 8.326,588 17942.2,590 1,592 1,593 254.084,594 1.47,595 4.727,596 0.167,597 0.009,598 0.087,599 0.049,600 0.045,601 0.03,602 0.019,603 0.015,604 0.01,605 0.008,606 0.438,607 0.17,608 1,609 0.787,610 140.366,611 -0.029,612 -0.066,613 0.023,614 -0.009,615 -0.011,616 0.013,617 0.09,618 -0.047,619 0.041,620 -0.028,621 0.03,622 -0.013,623 -0.055,624 -0.151,625 0.001,626 -0.142,627 -0.018,628 -0.072,629 0.071,630 -0.108,631 -0.115,632 -0.188,633 0.056,634 -0.201,635 -0.166,636 0.118,637 -0.077,638 0.138,639 -0.168,640 0.072,641 0.042,642 0.068,643 0.054,644 0.021,645 0.076,646 0.039,647 -0.187,648 0.079,649 -0.087,650 0.083,651 -0.155,652 0.041,653 -0.077,654 -0.148,655 -0.03,656 -0.086,657 -0.064,658 -0.061,659 2.25,660 5.898,661 0.643,662 28.633,663 1.012,664 1.121,665 3.191,666 10.181,667 0.695,668 3.434,669 3.738,670 4.007,671 4.205,672 4.394,673 4.407,674 4.394,675 4.511,676 4.615,677 4.663,678 6.537,679 0.676,680 375.43,681 3.434,682 4.963,683 5.808,684 6.673,685 7.535,686 8.408,687 9.279,688 10.158,689 11.035,690 11.919,691 6.5,696 1,698 1,700 1,709 9,714 3,716 12,729 1,737 1,738 46,739 17,740 2,741 30,743 48,744 22,745 12,746 3,747 9,748 6,752 3,753 3,759 1,766 1,767 1,768 18,769 3,772 4,778 2,780 1,782 5,785 1,786 1,787 1,789 18,790 6,791 1,792 6,797 3,800 1,803 1,804 2,823 3,833 1,846 3,855 3,859 1,861 1,862 28,869 2,871 1,875 1,877 1,882 1,884 1,885 1,886 4.3,889 2,893 15,894 8.71,895 6.333,896 2.702,898 2.758,899 1.388,900 0.978,901 5.914,902 9.874,903 3.761,904 4.29,905 4.836,906 5.293,907 5.691,908 5.761,909 5.899,910 6.302,911 6.683,912 7.005,913 0.875,914 45,915 10.401,917 4.488,918 8.119,919 19.098,921 15.298,924 2.619,925 73.333,928 1,929 200.109,930 158.43,931 52.194,933 50.29,934 14.96,936 158.43,937 250.399,938 67.155,939 8.825,940 16.812,941 85.286,942 94.312,943 55.679,944 26.731,945 188.338,947 200.109,948 210.625,949 65.25,952 191.527,953 73.832,956 47.649,957 144.965,958 18.011,960 215.069,961 102.484,962 158.43,965 200.109,966 38.67,967 106.283,968 34.612,969 96.309,970 200.109,971 117.444,972 158.43,973 0.577,974 0.349,975 0.181,976 0.094,977 18,978 9,979 0.104,980 5,982 1,983 3.901,984 235.535,986 18,987 126.606,993 19.387,994 8.542,995 4.319,997 117.444,998 15.143,1003 1.205,1005 18.011,1006 475.983,1007 42,1013 25.489,1015 1.449,1017 -0.552,1020 46.542,1021 51.575,1022 0.292,1023 0.664,1024 0.803,1025 0.892,1026 0.903,1027 0.903,1028 4.997,1029 1.051,1030 5.79,1031 3.223,1032 4.419,1033 4.977,1034 2.667,1035 6.597,1036 4.382,1037 6.21,1038 1,1039 7.356,1040 2.604,1041 4.007,1042 4.677,1043 0.325,1044 7.535,1045 3.95,1046 7.515,1047 1,1048 9.026,1049 2.378,1050 6.009,1051 7.101,1052 3.736,1053 10.649,1054 5.938,1055 8.854,1056 1,1057 10.758,1058 2.275,1059 6.431,1060 7.603,1061 0.931,1062 12.424,1063 6.35,1064 10.223,1065 0.845,1066 12.532,1067 2.136,1068 7.896,1069 9.484,1070 5.03,1071 15.099,1072 7.8,1073 11.615,1074 0.23,1075 14.334,1076 1.718,1077 8.705,1078 10.368,1079 1.621,1080 17.233,1081 8.603,1082 13.025,1083 0.037,1084 16.159,1085 0.557,1086 9.97,1087 12.009,1088 6.405,1089 19.77,1090 9.854,1091 3.286,1092 -0.264,1093 18,1094 0.078,1095 10.97,1096 13.104,1097 2.316,1098 22.072,1099 10.848,1100 2.627,1101 11.549,1102 19.856,1103 -0.492,1104 12.165,1105 14.625,1106 7.808,1107 24.558,1108 12.031,1109 2.543,1110 8.052,1111 21.723,1112 4.093,1113 13.26,1114 15.841,1115 2.996,1116 26.937,1117 13.117,1118 2.393,1119 7.968,1120 23.6,1121 3.617,1122 14.436,1123 17.3,1124 9.222,1125 29.402,1126 14.282,1127 2.358,1128 7.125,1129 25.485,1130 3.445,1131 15.576,1132 18.589,1133 3.659,1134 31.817,1135 15.413,1136 2.077,1137 6.93,1138 27.379,1139 3.135,1140 16.751,1141 20.016,1142 10.64,1143 34.272,1144 16.577,1145 1.52,1146 5.685,1147 29.278,1148 2.847,1149 17.915,1150 21.35,1151 4.307,1152 36.704,1153 17.731,1154 9142,1155 16468,1156 19.592,1157 31.955,1158 45.825,1159 49.078,1160 46.829,1161 44.034,1162 43.934,1163 58.501,1164 9.167,1165 124.551,1166 43.112,1167 5.546,1168 6.152,1169 6.742,1170 5.315,1171 5.286,1172 7.093,1173 4.069,1174 19.549,1175 5.248,1176 15,1177 1.527,1178 1.636,1179 1.561,1180 1.468,1181 1.464,1182 1.95,1183 0.306,1184 4.152,1185 1.437,1186 3.997,1187 4.027,1188 3.956,1189 3.899,1190 8.201,1191 3.904,1192 3.901,1193 3.934,1194 3.837,1195 3.833,1196 7.444,1197 3.83,1198 3.855,1199 3.878,1200 3.807,1201 3.767,1202 7.411,1203 3.775,1204 3.441,1205 3.507,1206 3.343,1207 3.281,1208 6.818,1209 3.278,1210 3.361,1211 3.402,1212 3.308,1213 3.196,1214 4.756,1215 3.221,1216 3.111,1217 3.183,1218 3.003,1219 2.897,1220 4.708,1221 2.906,1222 3.058,1223 3.119,1224 2.931,1225 2.827,1226 4.386,1227 2.852,1228 2.877,1229 2.925,1230 2.835,1231 2.735,1232 3.996,1233 2.715,1234 0.154,1235 0.138,1236 0.231,1237 0.143,1238 0.11,1239 4.619,1240 0.136,1241 4.152,1242 0.068,1243 6.94,1244 0.385,1245 4.276,1246 0.108,1247 3.286,1248 4.093,1249 2.035,1250 11.549,1251 3.248,1252 1.934,1253 1.905,1254 2.06,1255 2.052,1256 1.244,1257 2.047,1258 1.896,1259 1.868,1260 1.997,1261 1.994,1262 1.085,1263 2.002,1264 1.823,1265 1.803,1266 1.913,1267 1.934,1268 1.021,1269 1.929,1270 1.431,1271 1.365,1272 1.687,1273 1.623,1274 0.874,1275 1.647,1276 1.283,1277 1.248,1278 1.471,1279 1.486,1280 0.523,1281 1.473,1282 1.086,1283 1.012,1284 1.316,1285 1.344,1286 0.324,1287 1.355,1288 0.951,1289 0.899,1290 1.181,1291 1.22,1292 0.218,1293 1.178,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.111,1302 5.416,1304 6.929,1306 8.538,1308 10.201,1310 1.57,1312 13.037,1315 0.669,1317 2.925,1321 1.094,1324 9.399,1325 1.906,1326 31.092,1327 74.163,1328 168.684,1329 204.045,1330 226.574,1331 229.329,1332 229.329,1333 76.25,1334 7.116,1335 74.89,1336 74.89,1337 18,1338 12.454,1339 4.17,1340 3.7,1341 49.487,1342 107,1343 122,1344 0.222,1345 194.067,1346 355.25,1347 465.282,1348 11146,1349 2.2,1350 20.096,1351 0.718,1352 0.546,1353 19.225,1354 15.277,1355 13.507,1356 0.45,1357 0.292,1358 8.643,1359 13.057,1360 8.426,1361 7.008,1362 13.113,1363 8.747,1364 11.762,1365 0.287,1366 0.154,1367 11.14,1368 6.319,1369 10.2,1370 0.189,1371 0.084,1372 9.789,1373 4.52,1374 8.134,1375 0.123,1376 0.044,1377 7.992,1378 2.92,1379 6.005,1380 0.075,1381 0.024,1382 5.721,1383 1.89,1384 0.346,1385 84.409,1386 0.226,1387 26.76,1388 0.619,1389 142,1390 501.205,1391 155.422,1392 465.429,1393 613.1,1394 430,1395 166,1396 431.507,1397 179.223,1398 434.825,1399 629.66,1400 408,1401 5.396}
{0 CHEMBL1311570,1 1.765,2 10.231,3 4.997,4 24.969,5 107.829,6 10.423,7 0.759,8 3.841,9 3.934,10 3.748,11 3.509,12 4.995,13 3.463,14 4.315,15 4.442,16 4.145,17 3.869,18 5.413,19 3.802,20 4.468,21 4.637,22 4.152,23 3.936,24 5.474,25 3.807,26 4.483,27 4.686,28 4.005,29 3.859,30 5.469,31 3.733,32 4.409,33 4.594,34 4.091,35 3.827,36 5.479,37 3.751,38 4.419,39 4.586,40 4.238,41 3.911,42 5.507,43 3.798,44 4.426,45 4.606,46 3.832,47 3.811,48 5.461,49 3.717,50 4.404,51 4.603,52 3.869,53 3.767,54 5.391,55 3.66,56 0.049,57 0.591,58 3.561,59 3.373,60 6.557,61 3.809,62 0.172,63 0.986,64 11.493,65 6.087,66 11.756,67 6.37,68 0.299,69 1.103,70 22.784,71 8.154,72 21.635,73 8.726,74 0.273,75 1.208,76 29.34,77 8.699,78 22.962,79 8.624,80 0.329,81 1.121,82 17.863,83 7.086,84 22.717,85 7.157,86 0.255,87 1.104,88 32.631,89 8.046,90 21.402,91 7.531,92 0.274,93 1.076,94 16.756,95 7.159,96 24.316,97 7.035,98 0.218,99 0.945,100 17.565,101 7.275,102 21.846,103 8.794,104 2,105 39,106 0.305,107 0.604,108 0.773,109 0.876,110 0.876,111 0.876,112 3.304,113 1.015,114 -5.68,115 -5.55,116 -5.17,118 1,120 46.3,126 2,143 9,144 1,145 1,146 1,147 1,152 1,153 1,162 1,163 1,167 1,174 7,176 2,177 6,185 8,188 3,189 5,197 6,200 1,201 6,209 3,213 2,214 12,222 2,226 1,227 11,235 4,240 6,247 5,252 7,260 8,264 5,271 10,274 1162,275 18.068,276 18.068,277 18.068,278 18.068,279 18.068,280 15.361,281 13.688,282 10.96,283 18.638,284 14.358,285 14.358,286 14.358,287 14.358,288 14.358,289 10.451,290 15.811,291 5.266,292 15.388,293 3.593,294 1.868,295 0.891,296 0.293,297 0.293,298 0.293,299 4.005,306 1,307 1,308 584,309 2.55,312 143.99,313 175.728,320 1.462,321 14.492,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 54.75,333 266,334 4.509,335 4.464,336 6.715,337 4.075,338 3.158,339 4.207,340 3.272,341 10.933,342 2.908,343 4.014,344 3.239,345 5.753,346 3.578,347 2.625,348 3.615,349 0.522,350 7.802,351 2.51,352 3.926,353 2.919,354 5.415,355 3.527,356 2.543,357 3.484,359 7.164,360 2.5,361 3.797,362 2.755,363 5.325,364 3.318,365 2.393,366 3.331,368 6.87,369 2.199,370 3.42,371 2.69,372 4.891,373 2.971,374 2.091,375 2.708,377 5.692,378 1.715,379 3.122,380 2.161,381 4.597,382 2.643,383 1.715,384 2.359,386 4.537,387 1.58,388 2.767,389 1.901,390 4.035,391 2.37,392 1.414,393 1.856,395 3.423,396 1.345,397 2.577,398 1.554,399 3.506,400 2.073,401 1.142,402 1.61,404 2.662,405 1.046,406 2.5,407 1.241,408 3.414,409 2,410 1,411 1.5,413 2.34,414 1,415 2.5,416 1.065,417 3.39,418 1.971,419 1,420 1.5,422 2.275,423 0.968,424 2.45,425 1,426 3.247,427 1.958,428 1,429 1.428,431 2.136,432 0.955,433 2.118,434 1,435 3.211,436 1.618,437 0.648,438 0.927,440 1.567,441 0.618,442 1.876,443 0.618,444 3,445 1.496,446 0.618,447 0.774,449 1.372,450 0.521,451 1.242,452 0.544,453 2.714,454 0.9,455 -0.013,456 -0.016,458 -0.032,459 -0.01,460 0.986,461 0.429,462 2.382,463 0.556,464 -0.283,465 -0.344,467 -0.663,468 -0.197,469 13.6,470 0.523,471 0.465,472 0.018,473 37.25,474 1.433,475 20.5,476 0.788,477 16.75,478 0.644,479 20.067,480 0.772,481 25.4,482 0.62,483 23.347,484 0.898,485 7.14,486 0.275,487 5.653,488 0.217,489 0.098,491 0.25,496 0.754,497 1.102,498 0.49,499 0.768,500 0.67,501 0.781,502 0.976,503 1.179,504 0.664,505 0.995,506 0.884,507 0.925,508 1.023,509 1.061,510 1.022,511 1.013,512 1.07,513 1.055,514 1.168,515 1.172,516 0.955,517 1.114,518 1.126,519 1.009,520 1.056,521 1.061,522 0.468,523 0.831,524 0.9,525 0.745,526 1.124,527 1.13,528 0.851,529 0.985,530 1.014,531 0.945,532 1.54,533 0.992,534 0.551,535 0.937,536 1.493,537 1.029,538 0.863,539 0.947,540 0.551,541 0.913,542 0.922,543 1.063,544 4,545 0.098,546 2.444,547 1.104,548 1.058,549 0.681,550 0.273,551 0.291,552 0.209,553 0.076,554 8271,555 25693,556 2.172,557 36.6,559 13,560 1,561 1,567 1.695,568 2.108,569 3.304,570 -0.722,575 72.346,576 1.765,577 3.49,578 4.467,579 5.065,580 5.065,581 5.065,582 2.705,583 4.008,584 4.669,585 3.466,586 1126.34,587 8.117,588 14212.2,590 1,593 219.66,594 1.058,595 4.663,596 0.138,597 0.006,598 0.063,599 0.032,600 0.032,601 0.018,602 0.007,603 0.009,604 0.007,605 0.003,606 0.316,607 0.17,608 0.88,609 0.362,610 126.898,611 0.05,612 -0.088,613 0.009,614 -0.02,615 0.067,616 -0.012,617 0.017,618 -0.129,619 -0.016,620 -0.12,621 -0.038,622 -0.091,623 0.021,624 -0.068,625 -0.065,626 -0.033,627 -0.107,628 -0.113,629 -0.169,630 -0.05,631 -0.108,632 -0.08,633 -0.121,634 -0.052,635 0.085,636 0.074,637 0.04,638 0.096,639 0.182,640 0.148,641 -0.1,642 -0.024,643 -0.004,644 0.009,645 0.018,646 -0.046,647 -0.367,648 0.063,649 -0.09,650 -0.08,651 -0.361,652 -0.146,653 0.034,654 -0.067,655 0.045,656 -0.093,657 0.016,658 -0.084,659 0.936,660 2.017,661 0.846,662 24,663 1.008,664 1.109,665 4.45,666 19.799,667 0.757,668 3.401,669 3.689,670 3.951,671 4.205,672 4.369,673 4.431,674 4.554,675 4.691,676 4.771,677 4.796,678 6.137,679 0.712,680 427.35,681 3.401,682 4.92,683 5.759,684 6.619,685 7.477,686 8.345,687 9.213,688 10.087,689 10.961,690 11.84,691 9.8,699 1,701 3,709 11,710 3,712 1,714 6,715 1,716 22,737 1,738 41,739 22,740 1,741 29,742 1,743 44,744 19,745 17,746 2,747 4,752 4,753 4,768 17,769 2,788 1,789 15,790 4,792 7,793 2,797 4,803 1,804 1,816 1,822 2,823 2,855 4,856 1,857 1,858 1,862 26,869 2,873 1,883 1,885 1,886 2.4,891 1,893 12.333,894 7.443,895 5.75,896 2.305,898 3.113,899 1.432,900 1.02,901 5.418,902 10.319,903 3.714,904 4.311,905 4.881,906 5.442,907 5.823,908 6.025,909 6.42,910 6.826,911 7.178,912 7.471,913 0.857,914 35,915 9.533,917 3.969,918 7.58,919 18.374,921 14.841,924 2.08,925 54.083,928 1,929 176.567,930 158.765,931 97.965,933 9.507,935 32.22,936 172.5,937 186.074,938 52.011,940 3.005,941 97.026,942 64.211,943 30.144,944 17.22,945 185.244,946 45.954,947 176.567,948 178.556,949 9.507,950 32.22,951 45.954,952 176.567,953 9.507,956 19.73,957 108.715,958 50.112,959 78.174,960 176.567,961 61.518,962 204.719,965 176.567,966 52.692,967 107.972,968 45.954,969 59.619,970 176.567,971 61.518,972 204.719,973 0.57,974 0.328,975 0.178,976 0.095,977 19,978 7,979 0.136,980 6,982 1,983 3.926,984 218.102,986 22,987 118.211,989 1,993 17.379,994 8.106,995 4.217,997 59.619,998 21.332,999 13.176,1001 5.517,1003 5.523,1004 2.046,1006 442.804,1007 40,1020 41.342,1021 45.455,1022 0.329,1023 0.651,1024 0.834,1025 0.945,1026 0.945,1027 0.945,1028 4.909,1029 1.142,1030 5.707,1031 3.423,1032 4.369,1033 4.997,1034 3.134,1035 6.469,1036 4.237,1037 6.099,1038 1,1039 7.226,1040 2.662,1041 3.761,1042 4.559,1044 7.273,1045 3.492,1046 7.381,1047 1,1048 8.848,1049 2.34,1050 5.905,1051 7.159,1052 5.44,1053 10.386,1054 5.651,1055 8.703,1056 1,1057 10.534,1058 2.275,1059 6.196,1060 7.625,1062 12.116,1063 5.814,1064 10.059,1065 0.648,1066 12.265,1067 2.136,1068 7.73,1069 9.583,1070 7.807,1071 14.728,1072 7.345,1073 11.438,1074 0.618,1075 14.029,1076 1.567,1077 8.444,1078 10.485,1080 16.844,1081 7.94,1082 12.837,1083 -0.013,1084 15.818,1085 1.372,1086 9.729,1087 12.158,1088 10.177,1089 19.304,1090 9.197,1091 3.158,1092 -0.283,1093 17.627,1094 -0.032,1095 10.655,1096 13.291,1098 21.581,1099 10.01,1100 2.625,1101 10.933,1102 19.451,1103 -0.663,1104 11.839,1105 14.829,1106 12.548,1107 23.994,1108 11.145,1109 2.543,1110 7.802,1111 21.289,1112 4.207,1113 12.872,1114 16.09,1116 26.338,1117 12.07,1118 2.393,1119 7.164,1120 23.137,1121 3.615,1122 14.019,1123 17.563,1124 14.919,1125 28.736,1126 13.152,1127 2.091,1128 6.87,1129 24.995,1130 3.484,1131 15.105,1132 18.896,1134 31.107,1135 14.136,1136 1.715,1137 5.692,1138 26.86,1139 3.331,1140 16.242,1141 20.34,1142 17.29,1143 33.5,1144 15.196,1145 1.414,1146 4.537,1147 28.732,1148 2.708,1149 17.355,1150 21.715,1152 35.883,1153 16.213,1154 7776,1155 13853,1156 20.167,1157 31.046,1158 43.289,1159 45.704,1160 43.117,1161 42.992,1162 42.696,1163 58.597,1164 7.588,1165 117.543,1166 39.733,1167 5.36,1168 6.464,1169 6.517,1170 5.22,1171 5.158,1172 7.207,1173 6.545,1174 18.065,1175 4.908,1176 6.911,1177 1.493,1178 1.576,1179 1.487,1180 1.482,1181 1.472,1182 2.021,1183 0.262,1184 4.053,1185 1.37,1186 4.033,1187 4.077,1188 6.88,1189 3.917,1190 5.127,1191 3.906,1192 3.897,1193 3.92,1194 4.103,1195 3.83,1196 5.031,1197 3.832,1198 3.85,1199 3.871,1200 3.828,1201 3.713,1202 4.799,1203 3.727,1204 3.667,1205 3.717,1206 3.79,1207 3.519,1208 4.738,1209 3.513,1210 3.179,1211 3.217,1212 3.663,1213 3.168,1214 3.879,1215 3.092,1216 2.938,1217 3.025,1218 3.304,1219 2.777,1220 3.834,1221 2.764,1222 2.854,1223 2.925,1224 2.781,1225 2.736,1226 3.745,1227 2.715,1228 2.811,1229 2.881,1230 2.687,1231 2.735,1232 3.674,1233 2.681,1234 0.155,1235 0.154,1236 0.232,1237 0.141,1238 0.109,1239 4.509,1240 0.145,1241 4.464,1242 0.113,1243 6.715,1244 0.377,1245 4.075,1246 0.1,1247 3.158,1248 4.207,1249 3.272,1250 10.933,1251 2.908,1252 1.903,1253 1.883,1254 1.982,1255 1.991,1256 1.165,1257 1.989,1258 1.847,1259 1.809,1260 1.951,1261 1.956,1262 1.052,1263 1.973,1264 1.624,1265 1.583,1266 1.765,1267 1.804,1268 0.914,1269 1.794,1270 1.417,1271 1.381,1272 1.587,1273 1.586,1274 0.691,1275 1.591,1276 1.255,1277 1.239,1278 1.357,1279 1.414,1280 0.61,1281 1.43,1282 1.133,1283 1.097,1284 1.245,1285 1.381,1286 0.324,1287 1.334,1288 0.974,1289 0.92,1290 1.181,1291 1.216,1292 0.218,1293 1.206,1294 0.886,1295 0.821,1296 1.1,1297 1.062,1298 0.134,1299 1.107,1300 4.078,1302 5.371,1303 3.045,1304 6.847,1305 5.283,1306 8.405,1307 7.273,1308 10.01,1309 3.465,1315 1.375,1319 1.648,1326 29.174,1327 72.346,1328 143.077,1329 183.13,1330 207.66,1331 207.66,1332 207.66,1333 30.315,1334 7.206,1335 56.74,1336 82.04,1337 22,1338 12.378,1339 4.524,1340 3.585,1341 37.82,1342 90,1343 111,1344 0.194,1345 188.396,1346 308.4,1347 451.445,1348 12189,1349 2.4,1350 17.769,1351 0.683,1352 0.621,1353 19.123,1354 16.151,1355 12.793,1356 0.441,1357 0.338,1358 8.072,1359 11.364,1360 7.764,1361 6.423,1362 13.824,1363 9.815,1364 11.153,1365 0.286,1366 0.191,1367 12.52,1368 7.46,1369 9.443,1370 0.185,1371 0.105,1372 10.747,1373 5.353,1374 7.756,1375 0.118,1376 0.056,1377 8.832,1378 3.667,1379 5.971,1380 0.077,1381 0.034,1382 7.227,1383 2.65,1384 0.3,1385 92.478,1386 0.223,1387 25.093,1388 0.543,1389 136,1390 403.831,1391 236.83,1392 451.197,1393 614.1,1394 424,1395 158,1396 421.602,1397 219.649,1398 450.588,1399 655.51,1400 423,1401 4.437}
{0 CHEMBL1311739,1 1.599,2 8.826,3 4.014,4 16.114,5 94.817,6 7.962,7 0.48,8 3.806,9 3.914,10 3.435,11 3.396,12 4.911,13 3.36,14 4.326,15 4.482,16 3.801,17 3.764,18 5.402,19 3.71,20 4.561,21 4.749,22 3.918,23 3.938,24 5.597,25 3.847,26 4.602,27 4.783,28 3.974,29 3.931,30 5.807,31 3.817,32 4.581,33 4.793,34 3.813,35 3.872,36 5.667,37 3.716,38 4.493,39 4.725,40 3.648,41 3.697,42 5.61,43 3.537,44 4.196,45 4.4,46 3.474,47 3.525,48 5.307,49 3.413,50 4.137,51 4.293,52 3.302,53 3.5,54 5.244,55 3.403,56 0.01,57 0.56,58 7.627,59 3.72,60 5.239,61 4.657,62 0.199,63 0.939,64 15.799,65 6.129,66 18.978,67 7.913,68 0.128,69 1.161,70 21.83,71 8.708,72 21.601,73 10.76,74 0.402,75 1.225,76 25.535,77 9.144,78 50.482,79 10.696,80 0.2,81 1.196,82 26.703,83 9.664,84 38.141,85 11.258,86 0.369,87 1.075,88 28.54,89 9.002,90 55.712,91 10.057,92 0.15,93 0.776,94 18.471,95 6.706,96 30.524,97 7.754,98 0.18,99 0.718,100 16.269,101 6.015,102 30.405,103 6.667,104 11,105 34,106 0.282,107 0.615,108 0.761,109 0.864,110 0.898,111 0.898,112 3.189,113 0.954,114 -4.15,115 -4.1,116 -3.87,120 43.9,122 2,125 1,126 1,143 8,144 2,145 2,159 1,160 1,174 10,177 6,180 2,182 1,185 10,189 6,194 1,197 7,200 2,201 5,204 1,206 5,209 3,214 2,219 4,222 1,226 1,227 5,232 1,235 3,240 4,247 6,252 4,260 10,264 3,271 10,274 676,275 15.767,276 15.767,277 15.767,278 15.767,279 15.767,280 14.067,281 18.021,282 9.385,283 16.145,284 12.265,285 12.265,286 12.265,287 12.265,288 12.265,289 9.608,290 20.854,291 4.307,292 12.796,293 3.759,294 1.867,295 1.043,296 0.457,297 0.262,298 0.262,299 3.87,305 1,306 1,307 1,308 434,309 3.24,313 190.643,317 97.92,320 1.255,321 18.993,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49,333 203,334 4.387,335 3.948,336 6.668,337 4.068,338 3.122,339 3.946,340 1.813,341 10.715,342 2.973,343 4.313,344 3.541,345 6.444,346 3.951,347 2.967,348 3.892,349 1.003,350 9.908,351 2.913,352 3.754,353 3.07,354 5.671,355 3.352,356 2.424,357 3.026,358 0.86,359 7.437,360 2.232,361 3.363,362 2.823,363 5.06,364 2.981,365 2.006,366 2.573,367 0.52,368 5.719,369 1.941,370 2.948,371 2.16,372 4.485,373 2.614,374 1.618,375 2.114,377 4.195,378 1.612,379 2.917,380 1.749,381 4.041,382 2.464,383 1.508,384 2.085,386 3.557,387 1.437,388 2.878,389 1.719,390 3.758,391 2.401,392 1.45,393 1.982,395 3.134,396 1.364,397 2.551,398 1.318,399 3.588,400 2.241,401 1.255,402 1.53,404 2.794,405 1.234,406 2.44,407 1.313,408 3.533,409 2.003,410 1,411 1.383,413 2.416,414 0.995,415 1.976,416 0.951,417 3.202,418 1.633,419 0.673,420 0.836,422 1.587,423 0.639,424 1.644,425 0.939,426 2.733,427 1.337,428 0.458,429 0.524,431 0.697,432 0.397,433 1,434 0.802,435 2.501,436 0.608,437 -0.37,438 -0.421,440 -0.903,441 -0.355,442 0.828,443 -0.002,444 2.3,445 0.386,446 -0.535,447 -0.672,449 -1.157,450 -0.475,451 0.786,452 -0.162,453 2,454 0.357,455 -0.618,456 -0.73,458 -1.407,459 -0.6,460 0.68,461 -0.474,462 2,463 0.318,464 -0.659,465 -0.947,467 -1.478,468 -0.623,469 11.3,470 0.491,471 0.469,472 0.02,473 30,474 1.304,475 15.5,476 0.674,477 14.5,478 0.63,479 17.339,480 0.754,481 24.1,482 0.588,483 21.38,484 0.93,485 6.088,486 0.265,487 5.114,488 0.222,489 0.147,491 0.301,496 0.784,497 1.186,498 0.644,499 0.891,500 0.561,501 0.896,502 0.908,503 1.059,504 0.72,505 0.883,506 0.597,507 0.901,508 0.956,509 1.093,510 0.85,511 0.941,512 0.845,513 0.932,514 0.999,515 1.137,516 1.131,517 1.116,518 1.009,519 1.069,520 1.135,521 1.149,522 1.245,523 1.148,524 1.268,525 1.079,526 1.381,527 0.884,528 1.416,529 1.099,530 1.925,531 0.922,532 1.206,533 0.872,534 1.128,535 0.996,536 1.602,537 0.842,538 1.663,539 0.969,540 1.473,541 1.213,542 1.746,543 1.143,544 3.5,545 0.049,546 2.889,547 1.813,548 1.178,549 0.708,550 0.429,551 0.253,552 0.148,553 0.082,554 5393,555 14391,556 2.067,557 43.9,558 2,559 13,562 1,564 2,567 1.659,568 1.944,569 3.154,570 -0.326,572 1,575 65.542,576 1.599,577 3.491,578 4.315,579 4.9,580 5.095,581 5.095,582 2.496,583 4.35,584 4.501,585 3.28,586 829.959,587 7.757,588 9400.94,590 1,592 1,593 219.66,594 1.371,595 4.458,596 0.14,597 0.005,598 0.085,599 0.049,600 0.035,601 0.025,602 0.019,603 0.011,604 0.007,605 0.005,606 0.381,607 0.5,608 1,609 0.777,610 106.761,611 -0.027,612 -0.13,613 0.029,614 -0.043,615 -0.026,616 -0.003,617 0.079,618 -0.025,619 0.057,620 -0.017,621 0.059,622 0.005,623 -0.043,624 -0.083,625 0.051,626 -0.003,627 0.006,628 0.017,629 0.179,630 -0.072,631 -0.036,632 -0.09,633 0.173,634 -0.135,635 -0.117,636 -0.115,637 -0.066,638 -0.064,639 -0.078,640 -0.098,641 -0.102,642 0.166,643 -0.068,644 0.056,645 -0.192,646 0.068,647 -0.09,648 0.115,649 0.019,650 0.087,651 -0.083,652 0.152,653 -0.328,654 0.02,655 -0.435,656 -0.184,657 -0.318,658 -0.202,659 1.921,660 5.484,661 0.696,662 15.573,663 1,664 1.114,665 2.923,666 8.544,667 0.699,668 3.258,669 3.555,670 3.85,671 4.094,672 4.263,673 4.174,674 4.248,675 4.263,676 4.331,677 4.22,678 5.465,679 0.655,680 326.45,681 3.258,682 4.779,683 5.631,684 6.503,685 7.37,686 8.245,687 9.116,688 9.992,689 10.865,690 11.742,691 4.9,698 2,709 8,714 4,716 12,735 1,738 41,739 14,740 2,741 25,743 43,744 18,745 12,746 4,747 8,748 1,752 3,753 4,757 1,763 2,766 2,768 14,769 4,772 2,778 1,779 1,782 2,786 1,789 18,790 4,791 1,792 5,793 1,797 2,800 1,803 0.667,804 2,823 3,827 1,855 2,857 1,859 1,862 23,869 3,871 1,872 1,875 1,886 4.9,889 1,891 1,893 11.833,894 7.617,895 5.222,896 2.429,898 2.2,899 1.321,900 0.981,901 4.936,902 9.059,903 3.526,904 4.06,905 4.6,906 5.11,907 5.535,908 5.487,909 5.705,910 5.81,911 5.998,912 6.013,913 0.833,914 37,915 8.491,917 3.548,918 7.725,919 16.235,921 13.099,924 2.225,925 51.167,928 1,929 200.109,930 158.42,931 21.135,933 36.145,935 45.192,936 113.228,937 236.254,938 21.135,939 10.883,940 28.31,941 75.81,942 29.85,943 25.371,944 0.285,945 200.109,946 45.192,947 200.109,948 134.363,949 36.145,950 45.192,952 176.567,953 59.687,956 28.31,957 106.054,959 45.192,960 200.109,961 57.28,962 158.42,965 200.109,966 26.535,967 89.817,968 18.011,969 81.337,970 200.109,971 57.28,972 158.42,973 0.57,974 0.353,975 0.201,976 0.103,977 16,978 7,979 0.047,980 2,981 1,982 1.125,983 3.475,984 182.386,985 0.125,986 16,987 102.042,990 1,993 15.967,994 7.11,995 3.382,997 57.28,998 15.267,1003 3.339,1005 18.011,1006 415.809,1007 33,1013 12.484,1014 5.459,1017 0.17,1020 41.003,1021 45.657,1022 0.298,1023 0.652,1024 0.805,1025 0.915,1026 0.951,1027 0.951,1028 4.745,1029 1.255,1030 5.602,1031 3.134,1032 4.234,1033 4.745,1034 2.349,1035 6.418,1036 4.157,1037 5.926,1038 1,1039 7.165,1040 2.794,1041 3.761,1042 4.443,1043 1.404,1044 7.368,1045 3.623,1046 7.219,1047 0.673,1048 8.836,1049 2.416,1050 5.82,1051 6.854,1052 2.947,1053 10.489,1054 5.668,1055 8.549,1056 0.458,1057 10.572,1058 1.587,1059 6.217,1060 7.385,1061 2.71,1062 12.288,1063 6.001,1064 9.914,1065 -0.37,1066 12.35,1067 0.697,1068 7.717,1069 9.262,1070 3.852,1071 14.912,1072 7.491,1073 11.304,1074 -0.535,1075 14.156,1076 -0.903,1077 8.514,1078 10.188,1079 3.998,1080 17.035,1081 8.231,1082 12.712,1083 -0.618,1084 15.982,1085 -1.157,1086 9.786,1087 11.827,1088 4.907,1089 19.488,1090 9.486,1091 3.122,1092 -0.659,1093 17.82,1094 -1.407,1095 10.764,1096 12.951,1097 5.254,1098 21.741,1099 10.413,1100 2.967,1101 10.715,1102 19.669,1103 -1.478,1104 11.943,1105 14.47,1106 6.03,1107 24.132,1108 11.567,1109 2.424,1110 9.908,1111 21.525,1112 3.946,1113 13,1114 15.7,1115 6.483,1116 26.44,1117 12.579,1118 2.006,1119 7.437,1120 23.387,1121 3.892,1122 14.142,1123 17.153,1124 7.185,1125 28.808,1126 13.691,1127 1.618,1128 5.719,1129 25.253,1130 3.026,1131 15.235,1132 18.441,1133 7.697,1134 31.14,1135 14.74,1136 1.508,1137 4.195,1138 27.122,1139 2.573,1140 16.364,1141 19.858,1142 8.355,1143 33.5,1144 15.834,1145 1.45,1146 3.557,1147 28.994,1148 2.114,1149 17.473,1150 21.18,1151 8.901,1152 35.844,1153 16.901,1154 5260,1155 8713,1156 16.701,1157 28.659,1158 37.298,1159 39.446,1160 38.524,1161 36.971,1162 36.961,1163 47.783,1164 8.391,1165 104.319,1166 35.474,1167 5.341,1168 5.948,1169 6.36,1170 5.108,1171 5.122,1172 6.946,1173 3.213,1174 17.88,1175 4.973,1176 9.984,1177 1.492,1178 1.578,1179 1.541,1180 1.479,1181 1.478,1182 1.911,1183 0.336,1184 4.173,1185 1.419,1186 4.007,1187 4.042,1188 4.034,1189 3.926,1190 7.429,1191 3.923,1192 3.918,1193 3.938,1194 3.866,1195 3.843,1196 4.878,1197 3.845,1198 3.545,1199 3.597,1200 3.753,1201 3.443,1202 4.819,1203 3.41,1204 3.414,1205 3.464,1206 3.312,1207 3.29,1208 4.662,1209 3.254,1210 3.249,1211 3.315,1212 3.171,1213 2.986,1214 4.382,1215 2.987,1216 3.101,1217 3.144,1218 3.061,1219 2.942,1220 4.025,1221 2.943,1222 2.854,1223 2.908,1224 2.827,1225 2.776,1226 3.695,1227 2.729,1228 2.775,1229 2.845,1230 2.595,1231 2.638,1232 3.67,1233 2.617,1234 0.175,1235 0.158,1236 0.267,1237 0.163,1238 0.125,1239 4.387,1240 0.158,1241 3.948,1242 0.073,1243 6.668,1244 0.429,1245 4.068,1246 0.119,1247 3.122,1248 3.946,1249 1.813,1250 10.715,1251 2.973,1252 1.969,1253 1.937,1254 2.09,1255 2.074,1256 1.353,1257 2.083,1258 1.894,1259 1.876,1260 1.994,1261 1.995,1262 1.076,1263 1.994,1264 1.532,1265 1.476,1266 1.762,1267 1.69,1268 0.933,1269 1.717,1270 1.337,1271 1.301,1272 1.573,1273 1.564,1274 0.596,1275 1.551,1276 1.197,1277 1.124,1278 1.419,1279 1.51,1280 0.574,1281 1.529,1282 1.048,1283 1.005,1284 1.289,1285 1.261,1286 0.355,1287 1.273,1288 0.86,1289 0.812,1290 1.113,1291 1.022,1292 0.209,1293 1.064,1294 0.797,1295 0.732,1296 1.082,1297 0.979,1298 0.156,1299 1.015,1300 3.932,1302 5.231,1304 6.751,1306 8.37,1308 10.037,1310 1.547,1315 2.861,1317 2.82,1318 5.232,1321 1.988,1326 26.874,1327 65.542,1328 143.13,1329 176.905,1330 200.905,1331 208.905,1332 208.905,1333 35.827,1334 6.86,1335 41.57,1336 73.66,1337 18,1338 12.281,1339 3.907,1340 3.17,1341 36.761,1342 76,1343 64,1344 0.24,1345 170.545,1346 298.05,1347 407.89,1348 8355,1350 16.234,1351 0.706,1352 0.597,1353 16.734,1354 13.729,1355 11.203,1356 0.448,1357 0.318,1358 7.48,1359 10.59,1360 7.26,1361 6.036,1362 11.491,1363 7.951,1364 9.61,1365 0.283,1366 0.169,1367 9.981,1368 5.73,1369 8.328,1370 0.181,1371 0.092,1372 8.66,1373 4.25,1374 7.123,1375 0.121,1376 0.052,1377 7.516,1378 3.091,1379 5.562,1380 0.079,1381 0.03,1382 5.835,1383 2.119,1384 0.37,1385 72.741,1386 0.245,1387 22.354,1388 0.675,1389 118,1390 342.309,1391 141.874,1392 353.012,1393 476.74,1394 330,1395 139,1396 333.328,1397 159.167,1398 347.263,1399 507.89,1400 326,1401 4.791}
{0 CHEMBL1311879,1 1.526,2 8.579,3 4.229,4 17.884,5 76.678,6 8.31,7 0.81,8 3.526,9 3.626,10 3.191,11 3.15,12 4.788,13 3.142,14 3.933,15 4.058,16 3.496,17 3.482,18 5.149,19 3.459,20 4.165,21 4.349,22 3.544,23 3.519,24 5.398,25 3.486,26 4.08,27 4.277,28 3.318,29 3.31,30 5.34,31 3.273,32 3.901,33 4.116,34 3.09,35 3.117,36 5.074,37 3.076,38 3.715,39 3.922,40 3.01,41 3.01,42 4.93,43 2.973,44 3.633,45 3.816,46 2.934,47 3.003,48 4.823,49 2.958,50 3.61,51 3.806,52 2.738,53 2.955,54 4.704,55 2.862,56 0.054,57 0.428,58 4.693,59 2.426,60 8.136,61 2.792,62 0.051,63 0.651,64 7.386,65 3.713,66 8.369,67 4.464,68 0.162,69 0.809,70 11.762,71 4.769,72 22.228,73 5.999,74 0.2,75 0.732,76 11.497,77 4.134,78 28.984,79 4.9,80 0.164,81 0.606,82 10.284,83 3.547,84 25.64,85 4.218,86 0.154,87 0.508,88 8.195,89 2.918,90 20.741,91 3.643,92 0.093,93 0.458,94 6.969,95 2.752,96 14.361,97 3.272,98 0.086,99 0.425,100 7.173,101 3.061,102 15.118,103 3.796,104 2,105 28,106 0.284,107 0.505,108 0.677,109 0.842,110 0.901,111 0.913,112 3.01,113 0.84,114 -4.16,115 -4.1,116 -3.88,120 50,143 9,144 2,145 2,146 1,148 1,167 1,174 10,176 1,177 4,182 1,185 10,188 1,189 6,192 1,194 3,197 7,201 6,204 1,206 3,209 3,214 6,219 1,222 2,227 5,230 1,232 1,235 3,240 3,245 1,247 5,252 2,257 1,260 6,264 1,271 5,274 417,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 10.994,281 7.831,282 8.013,283 13.358,284 10.372,285 10.372,286 10.372,287 10.372,288 10.372,289 7.196,290 4.869,291 3.811,292 10.656,293 3.38,294 2.192,295 1.268,296 0.384,297 0.067,299 3.696,306 1,307 1,308 356,309 2.121,313 148.708,317 77.664,320 1.285,321 14.468,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.5,333 163,334 4.559,335 3.22,336 6.626,337 4.09,338 3.108,339 4.496,341 10.497,342 3.05,343 3.968,344 2.65,345 5.675,346 3.492,347 2.541,348 3.536,350 7.499,351 2.416,352 3.749,353 2.423,354 5.33,355 3.3,356 2.328,357 3.252,359 6.896,360 2.254,361 3.233,362 1.884,363 4.718,364 2.749,365 1.766,366 2.564,368 4.888,369 1.734,370 3.02,371 1.56,372 3.719,373 2.503,374 1.52,375 2.227,377 3.201,378 1.493,379 2.888,380 1.443,381 3.618,382 2.405,383 1.414,384 2.067,386 3.033,387 1.4,388 2.5,389 1.053,390 3.49,391 1.959,392 1,393 1.5,395 2.136,396 0.956,397 2.402,398 1,399 3.247,400 1.858,401 0.883,402 1.257,404 2.1,405 0.857,406 2.332,407 0.805,408 3.203,409 1.73,410 0.755,411 1.169,413 1.74,414 0.734,415 1.387,416 0.241,417 2.672,418 0.968,419 0.026,420 0.034,422 0.063,423 0.025,424 0.999,425 -0.331,426 2.341,427 0.534,428 -0.444,429 -0.612,431 -1.071,432 -0.431,433 0.771,434 -0.662,435 2.083,436 0.27,437 -0.702,438 -1.031,440 -1.57,441 -0.682,442 0.573,443 -0.803,444 2,445 0.094,446 -0.885,447 -1.268,449 -2.09,450 -0.862,451 0.5,452 -1,453 1.555,454 -0.024,455 -1,456 -1.5,458 -2.347,459 -0.972,460 0.107,461 -1.183,462 1.382,463 -0.325,464 -1.293,465 -1.749,467 -3.556,468 -1.241,469 9.033,470 0.475,471 0.329,472 0.017,473 30.75,474 1.618,475 19,476 1,477 11.75,478 0.618,479 9.233,480 0.486,481 18.567,482 0.619,483 18.795,484 0.989,485 6.197,486 0.326,487 3.147,488 0.166,489 0.037,491 0.277,496 0.806,497 0.935,498 0.701,499 0.839,500 0.932,501 0.779,502 0.684,503 1.163,504 0.827,505 1.085,506 0.69,507 0.999,508 0.873,509 1.088,510 0.874,511 1.023,512 0.809,513 0.959,514 1.476,515 1.162,516 1.163,517 1.074,518 1.422,519 1.066,520 1.642,521 1.037,522 1.12,523 0.89,524 1.613,525 0.915,526 1.16,527 0.926,528 0.957,529 0.813,530 1.059,531 0.836,532 1.314,533 0.913,534 1.09,535 0.939,536 1.239,537 0.964,538 1.106,539 0.937,540 1.167,541 1.086,542 1.217,543 1.139,544 2.5,545 0.016,546 2,547 0.938,548 0.898,549 0.382,550 0.183,551 0.177,552 0.078,553 0.027,554 3517,555 9686,556 2.145,557 36.7,559 9,561 1,562 1,567 1.599,568 2.073,569 3.101,570 -0.301,572 1,575 45.795,576 1.526,577 2.715,578 3.639,579 4.523,580 4.84,581 4.907,582 2.524,583 3.827,584 4.222,585 3.203,586 547.654,587 7.171,588 5378.46,590 1,592 1,593 147.207,594 1.105,595 4.207,596 0.119,597 0.004,598 0.071,599 0.033,600 0.043,601 0.022,602 0.011,603 0.012,604 0.006,605 0.003,606 0.326,607 0.83,608 1,609 0.447,610 82.661,611 0.009,612 0.076,613 0.024,614 0.061,615 -0.135,616 0.04,617 0.034,618 -0.156,619 -0.063,620 -0.182,621 -0.039,622 -0.15,623 0.13,624 -0.085,625 0.062,626 -0.09,627 0.15,628 -0.037,629 -0.108,630 -0.141,631 -0.16,632 -0.153,633 -0.056,634 -0.159,635 -0.28,636 -0.028,637 -0.073,638 0.055,639 -0.243,640 0.031,641 0.008,642 0.099,643 0.048,644 0.126,645 0.056,646 0.104,647 -0.224,648 0.079,649 -0.151,650 0.005,651 -0.138,652 -0.04,653 -0.159,654 -0.042,655 -0.194,656 -0.078,657 -0.159,658 -0.133,659 1.53,660 4.153,661 0.842,662 12.992,663 1.006,664 1.112,665 2.929,666 8.58,667 0.717,668 3.091,669 3.367,670 3.638,671 3.85,672 4.06,673 3.989,674 4.043,675 4.111,676 4.19,677 4.043,678 5.069,679 0.696,680 249.29,681 3.091,682 4.595,683 5.434,684 6.286,685 7.14,686 7.999,687 8.859,688 9.723,689 10.587,690 11.454,691 10,701 1,704 2,708 2,709 10,710 1,714 3,716 17,734 1,738 30,739 18,740 2,741 21,743 32,744 15,745 15,746 4,747 6,752 3,753 4,768 15,772 1,781 2,786 1,789 11,790 4,791 1,792 4,797 3,802 1,803 0.667,804 1,816 1,823 3,827 1,855 2,862 19,868 1,886 3.3,888 1,893 9.167,894 5.383,895 4.25,896 1.689,898 3.936,899 1.599,900 0.985,901 3.011,902 10.502,903 3.45,904 4.078,905 4.73,906 5.328,907 5.92,908 6.158,909 6.58,910 6.996,911 7.444,912 7.571,913 0.833,914 28,915 6.951,917 2.922,918 7.781,919 13.084,921 10.438,924 2.281,925 43.333,926 0.001,929 117.711,930 104.564,931 50.112,933 42.683,936 104.564,937 160.394,938 50.112,941 85.286,942 71.24,943 16.95,944 35.654,945 105.94,947 117.711,948 154.676,949 42.683,952 117.711,953 42.683,956 9.047,957 95.517,958 50.112,960 117.711,961 92.795,962 104.564,965 117.711,966 10.231,967 94.334,969 92.795,970 117.711,971 92.795,972 104.564,973 0.569,974 0.337,975 0.181,976 0.097,977 14,978 5,979 0.063,980 2,981 1,982 1.125,983 3.261,984 137.051,985 0.125,986 16,987 80.711,993 11.515,994 4.967,995 2.347,996 1.733,997 92.795,998 18.286,999 4.044,1003 1.081,1005 42.683,1006 315.07,1007 30.5,1016 8.037,1020 30.167,1021 33.365,1022 0.311,1023 0.553,1024 0.742,1025 0.922,1026 0.986,1027 1,1028 4.627,1029 0.883,1030 5.38,1031 2.136,1032 4.043,1033 4.762,1035 6.146,1036 3.99,1037 5.836,1038 0.755,1039 6.907,1040 2.1,1041 3.434,1042 4.407,1044 6.98,1045 3.334,1046 7.129,1047 0.026,1048 8.542,1049 1.74,1050 5.58,1051 7.03,1053 10.095,1054 5.476,1055 8.467,1056 -0.444,1057 10.245,1058 0.063,1059 5.861,1060 7.591,1062 11.815,1063 5.712,1064 9.839,1065 -0.702,1066 11.993,1067 -1.071,1068 7.418,1069 9.597,1071 14.434,1072 7.267,1073 11.238,1074 -0.885,1075 13.772,1076 -1.57,1077 8.132,1078 10.622,1080 16.509,1081 7.949,1082 12.659,1083 -1,1084 15.574,1085 -2.09,1086 9.435,1087 12.347,1089 18.964,1090 9.245,1091 3.108,1092 -1.293,1093 17.392,1094 -2.347,1095 10.364,1096 13.613,1098 21.191,1099 10.149,1100 2.541,1101 10.497,1102 19.223,1103 -3.556,1104 11.557,1105 15.21,1107 23.585,1108 11.333,1109 2.328,1110 7.499,1111 21.064,1112 4.496,1113 12.591,1114 16.597,1116 25.879,1117 12.347,1118 1.766,1119 6.896,1120 22.913,1121 3.536,1122 13.741,1123 18.138,1125 28.249,1126 13.485,1127 1.52,1128 4.888,1129 24.77,1130 3.252,1131 14.824,1132 19.584,1134 30.573,1135 14.551,1136 1.414,1137 3.201,1138 26.631,1139 2.564,1140 15.959,1141 21.101,1143 32.933,1144 15.671,1145 1,1146 3.033,1147 28.497,1148 2.227,1149 17.067,1150 22.576,1152 35.271,1153 16.762,1154 3365,1155 5693,1156 14.504,1157 21.517,1158 31.16,1159 30.976,1160 31.262,1161 30.688,1162 30.685,1163 44.205,1165 84.103,1166 29.839,1167 5.154,1168 5.22,1169 6.428,1170 5.129,1171 5.108,1172 7.496,1174 17.692,1175 5.05,1176 4.909,1177 1.484,1178 1.475,1179 1.489,1180 1.461,1181 1.461,1182 2.105,1184 4.005,1185 1.421,1186 4.085,1187 4.104,1188 4.047,1189 4.036,1190 6.469,1191 4.036,1192 3.852,1193 3.899,1194 3.798,1195 3.732,1196 5.062,1197 3.741,1198 3.502,1199 3.545,1200 3.432,1201 3.397,1202 4.824,1203 3.398,1204 3.113,1205 3.172,1206 3.026,1207 2.975,1208 4.61,1209 2.978,1210 3.021,1211 3.071,1212 2.947,1213 2.823,1214 4.16,1215 2.843,1216 2.779,1217 2.861,1218 2.634,1219 2.614,1220 3.827,1221 2.611,1222 2.653,1223 2.712,1224 2.547,1225 2.504,1226 3.708,1227 2.51,1228 2.612,1229 2.674,1230 2.44,1231 2.383,1232 3.511,1233 2.386,1234 0.217,1235 0.153,1236 0.316,1237 0.195,1238 0.148,1239 4.559,1240 0.214,1241 3.22,1243 6.626,1244 0.5,1245 4.09,1246 0.145,1247 3.108,1248 4.496,1250 10.497,1251 3.05,1252 2.062,1253 2.046,1254 2.136,1255 2.127,1256 1.271,1257 2.13,1258 1.811,1259 1.769,1260 1.928,1261 1.954,1262 0.921,1263 1.948,1264 1.483,1265 1.446,1266 1.633,1267 1.621,1268 0.677,1269 1.624,1270 1.078,1271 1.038,1272 1.261,1273 1.27,1274 0.318,1275 1.266,1276 0.947,1277 0.887,1278 1.149,1279 1.19,1280 0.184,1281 1.165,1282 0.761,1283 0.69,1284 0.989,1285 0.997,1286 0.029,1287 1.018,1288 0.641,1289 0.58,1290 0.921,1291 0.9,1293 0.908,1294 0.56,1295 0.499,1296 0.837,1297 0.798,1299 0.819,1300 3.761,1302 5.043,1304 6.547,1306 8.149,1308 9.8,1314 10.153,1326 20.886,1327 45.795,1328 81.458,1329 109.168,1330 135.697,1331 145.207,1332 147.207,1333 22.933,1334 6.567,1335 57.84,1336 57.84,1337 18,1338 12,1339 4.248,1340 3.392,1341 27.922,1342 57,1343 54,1344 0.24,1345 130.508,1346 216.31,1347 310.199,1348 5735,1350 13.079,1351 0.688,1352 0.53,1353 13.079,1354 10.062,1355 9.343,1356 0.445,1357 0.28,1358 5.82,1359 9.078,1360 5.708,1361 4.761,1362 9.343,1363 5.879,1364 7.986,1365 0.285,1366 0.144,1367 7.986,1368 4.042,1369 6.965,1370 0.188,1371 0.075,1372 6.965,1373 2.789,1374 5.66,1375 0.123,1376 0.04,1377 5.66,1378 1.842,1379 4.559,1380 0.08,1381 0.021,1382 4.559,1383 1.217,1384 0.373,1385 58,1386 0.263,1387 19.123,1388 0.666,1389 98,1390 289.085,1391 105.321,1392 288.653,1393 400.23,1394 270,1395 114,1396 302.957,1397 121.987,1398 308.466,1399 445.31,1400 291,1401 5.008}
{0 CHEMBL1312738,1 1.361,2 10.042,3 5.223,4 27.28,5 99.542,6 7.963,7 0.444,8 3.83,9 3.917,10 3.513,11 3.551,12 4.903,13 3.48,14 4.374,15 4.503,16 3.938,17 3.987,18 5.433,19 3.89,20 4.708,21 4.895,22 4.034,23 4.134,24 5.781,25 3.999,26 4.638,27 4.843,28 3.825,29 3.954,30 5.747,31 3.818,32 4.341,33 4.528,34 3.571,35 3.716,36 5.524,37 3.621,38 4.213,39 4.376,40 3.437,41 3.653,42 5.329,43 3.543,44 4.283,45 4.506,46 3.332,47 3.623,48 5.177,49 3.475,50 4.227,51 4.448,52 3.449,53 3.534,54 5.328,55 3.384,56 0.031,57 0.468,58 8.118,59 4.113,60 9.385,61 5.075,62 0.043,63 0.842,64 15.742,65 7.582,66 14.712,67 9.424,68 0.167,69 1.242,70 27.495,71 11.553,72 40.545,73 13.773,74 0.238,75 1.178,76 28.755,77 11.092,78 47.677,79 12.78,80 0.15,81 0.832,82 17.555,83 7.385,84 40.674,85 8.963,86 0.101,87 0.712,88 13.341,89 6.159,90 28.286,91 7.74,92 0.079,93 0.803,94 15.916,95 7.139,96 19.463,97 9.507,98 0.206,99 0.773,100 17.236,101 7.08,102 39.03,103 8.927,104 5,105 39,106 0.237,107 0.572,108 0.657,109 0.798,110 0.846,111 0.846,112 3.229,113 1.019,114 -5.13,115 -5.03,116 -4.71,120 50,122 5,131 1,142 2,143 7,144 3,145 2,158 1,174 14,177 2,182 3,185 22,189 2,194 3,197 20,201 5,206 2,209 15,214 3,219 2,222 17,227 1,232 2,235 18,247 11,252 2,255 1,257 2,260 9,264 2,269 1,271 7,274 706,275 16.345,276 16.345,277 16.345,278 16.345,279 16.345,280 14.657,281 10.474,282 9.538,283 16.524,284 13.318,285 13.318,286 13.318,287 13.318,288 13.318,289 10.594,290 8.874,291 4.514,292 13.661,293 4.031,294 2.098,295 1.61,296 0.798,297 0.524,298 0.524,299 3.93,306 1,307 1,308 535,309 2.828,313 221.04,317 165.639,320 1.545,321 22.715,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 50,333 241,334 4.567,335 4.606,336 6.969,337 4.237,338 3.273,339 4.212,340 2.95,341 11.768,342 3.168,343 4.438,344 3.902,345 6.777,346 4.192,347 3.214,348 3.752,349 1.128,350 11.077,351 3.132,352 4.048,353 3.493,354 6.014,355 3.616,356 2.63,357 3.482,359 8.534,360 2.589,361 3.685,362 3.227,363 5.284,364 3.184,365 2.191,366 2.934,368 6.611,369 2.17,370 3.425,371 2.812,372 5.247,373 3.016,374 2.083,375 2.645,377 6.334,378 1.904,379 3.046,380 1.858,381 4.137,382 2.594,383 1.599,384 2.062,386 3.384,387 1.589,388 2.872,389 1.69,390 3.867,391 2.408,392 1.427,393 1.813,395 3.312,396 1.39,397 2.711,398 1.53,399 3.732,400 2.247,401 1.256,402 1.695,404 3.065,405 1.24,406 2.535,407 1.316,408 3.694,409 2,410 1,411 1.272,413 2.23,414 1,415 2.36,416 1.126,417 3.456,418 1.813,419 0.804,420 1.16,422 1.908,423 0.802,424 2,425 1,426 3.398,427 1.726,428 0.716,429 1,431 1.764,432 0.721,433 1.501,434 0.799,435 2.982,436 1.025,437 0.08,438 0.106,440 0.206,441 0.073,442 1.015,443 0.567,444 2.674,445 0.68,446 -0.28,447 -0.307,449 -0.68,450 -0.264,451 0.71,452 0.028,453 2.518,454 0.54,455 -0.406,456 -0.488,458 -0.983,459 -0.374,460 0.684,461 -0.064,462 2.314,463 0.216,464 -0.781,465 -0.951,467 -2.012,468 -0.762,469 12,470 0.5,471 0.612,472 0.026,473 30,474 1.25,475 16,476 0.667,477 14,478 0.583,479 20.494,480 0.854,481 24,482 0.571,483 19.806,484 0.825,485 5.262,486 0.219,487 6.383,488 0.266,489 0.056,490 0.042,491 0.25,496 0.706,497 0.8,498 0.738,499 0.768,500 0.699,501 0.795,502 0.631,503 0.959,504 0.799,505 0.912,506 0.588,507 0.916,508 1.035,509 0.951,510 0.998,511 0.965,512 0.956,513 0.924,514 1.293,515 0.977,516 1.134,517 1.057,518 1.343,519 0.936,520 1.353,521 0.862,522 0.835,523 0.816,524 1.369,525 0.853,526 1.142,527 1.062,528 0.888,529 0.957,530 1.115,531 1.111,532 0.598,533 1.012,534 0.742,535 0.91,536 0.612,537 1.029,538 0.538,539 1.007,540 0.769,541 0.971,542 0.639,543 0.961,544 5,545 0.074,546 2.889,547 1.5,548 1.813,549 0.611,550 0.324,551 0.354,552 0.201,553 0.167,554 6745,555 15908,556 2.15,557 42.9,558 6,559 7,562 1,564 4,567 1.666,568 2.043,569 3.289,570 -0.424,575 57.18,576 1.361,577 3.294,578 3.782,579 4.594,580 4.869,581 4.869,582 2.757,583 3.939,584 4.558,585 3.434,586 947.922,587 7.852,588 10969.1,593 226.477,594 1.414,595 4.523,596 0.185,597 0.005,598 0.074,599 0.038,600 0.057,601 0.022,602 0.014,603 0.017,604 0.01,605 0.01,606 0.431,607 0.5,608 1,609 0.49,610 113.732,611 -0.053,612 0.116,613 0.05,614 0.118,615 -0.068,616 0.083,617 0.031,618 -0.02,619 0.083,620 0.023,621 0.059,622 0.006,623 -0.027,624 0.036,625 0.062,626 0.057,627 0.01,628 0.052,629 -0.042,630 0.03,631 -0.001,632 -0.003,633 -0.068,634 0.054,635 -0.098,636 0.097,637 0.018,638 0.082,639 -0.035,640 0.089,641 -0.139,642 -0.138,643 -0.16,644 -0.122,645 -0.106,646 -0.199,647 0.034,648 -0.068,649 0.03,650 -0.038,651 -0.021,652 -0.043,653 0.396,654 -0.024,655 0.217,656 0.009,657 0.283,658 0.04,659 2.112,660 5.718,661 0.833,662 19.535,663 0.992,664 1.097,665 3.901,666 15.221,667 0.724,668 3.332,669 3.689,670 3.97,671 4.234,672 4.522,673 4.554,674 4.682,675 4.852,676 4.99,677 4.956,678 5.879,679 0.675,680 334.46,681 3.332,682 4.89,683 5.753,684 6.648,685 7.527,686 8.425,687 9.311,688 10.211,689 11.101,690 12.002,709 7,714 5,716 12,721 1,738 42,739 14,740 2,741 27,743 45,744 21,745 12,746 5,747 7,748 1,752 4,753 7,763 5,764 1,766 5,767 2,768 13,769 6,770 1,772 1,778 1,782 1,789 18,790 2,791 1,792 3,793 1,803 0.5,804 2,807 1,823 4,827 2,830 2,853 1,855 2,856 1,857 1,862 24,868 1,869 5,873 1,876 1,877 1,884 2,886 4.8,887 1,889 1,893 11.75,894 7.617,895 5.153,896 2.807,898 3.321,899 1.442,900 0.974,901 3.961,902 10.829,903 3.611,904 4.19,905 4.804,906 5.353,907 5.942,908 6.262,909 6.718,910 7.169,911 7.578,912 7.866,913 0.857,914 40,915 8.955,917 3.977,918 7.691,919 17.364,921 15.071,924 2.191,925 52.583,929 200.109,930 163.079,933 67.828,935 32.22,936 130.859,937 267.937,940 12.673,941 109.017,942 30.278,943 12.658,944 34.061,945 232.328,947 200.109,948 130.859,949 67.828,950 32.22,952 153.024,953 72.229,954 42.683,956 12.673,957 84.125,958 34.061,959 32.22,960 200.109,961 67.828,962 163.079,965 200.109,966 62.684,967 66.334,968 34.061,969 67.828,970 200.109,971 67.828,972 163.079,973 0.589,974 0.347,975 0.185,976 0.105,977 21,978 8,981 2,982 1.2,983 3.654,984 202.198,985 0.2,986 20,987 106.039,989 1,993 15.511,994 6.128,995 3.036,997 67.828,998 13.456,1003 4.235,1005 42.683,1006 431.016,1007 36,1013 12.718,1017 0.055,1020 41.683,1021 46.076,1022 0.252,1023 0.611,1024 0.701,1025 0.852,1026 0.903,1027 0.903,1028 4.883,1029 1.256,1030 5.771,1031 3.312,1032 4.369,1033 4.875,1034 3.042,1035 6.637,1036 4.32,1037 6.115,1038 1,1039 7.368,1040 3.065,1041 4.111,1042 4.649,1044 7.867,1045 4.007,1046 7.45,1047 0.804,1048 9.078,1049 2.23,1050 6.066,1051 7.064,1052 5.048,1053 10.884,1054 5.963,1055 8.82,1056 0.716,1057 10.855,1058 1.908,1059 6.635,1060 7.645,1062 12.901,1063 6.48,1064 10.222,1065 0.08,1066 12.676,1067 1.764,1068 8.089,1069 9.532,1070 7.188,1071 15.508,1072 7.928,1073 11.646,1074 -0.28,1075 14.525,1076 0.206,1077 9.009,1078 10.496,1080 17.794,1081 8.802,1082 13.087,1083 -0.406,1084 16.393,1085 -0.68,1086 10.282,1087 12.146,1088 9.348,1089 20.286,1090 10.06,1091 3.273,1092 -0.781,1093 18.275,1094 -0.983,1095 11.35,1096 13.314,1098 22.669,1099 11.089,1100 3.214,1101 11.768,1102 20.166,1103 -2.012,1104 12.557,1105 14.847,1106 11.511,1107 25.128,1108 12.273,1109 2.63,1110 11.077,1111 22.065,1112 4.212,1113 13.688,1114 16.126,1116 27.549,1117 13.368,1118 2.191,1119 8.534,1120 23.97,1121 3.752,1122 14.872,1123 17.602,1124 13.675,1125 29.998,1126 14.526,1127 2.083,1128 6.611,1129 25.879,1130 3.482,1131 16.028,1132 18.944,1134 32.434,1135 15.649,1136 1.599,1137 6.334,1138 27.792,1139 2.934,1140 17.206,1141 20.392,1142 15.838,1143 34.882,1144 16.797,1145 1.427,1146 3.384,1147 29.708,1148 2.645,1149 18.373,1150 21.771,1152 37.325,1153 17.933,1154 6303,1155 9838,1156 18.375,1157 30.409,1158 42.376,1159 44.497,1160 41.777,1161 40.649,1162 40.548,1163 52.265,1164 8.156,1165 120.384,1166 39.554,1167 5.567,1168 6.606,1169 6.701,1170 5.388,1171 5.273,1172 7.212,1173 5.9,1174 19.302,1175 5.168,1176 8.408,1177 1.569,1178 1.648,1179 1.547,1180 1.506,1181 1.502,1182 1.936,1183 0.302,1184 4.459,1185 1.465,1186 4.045,1187 4.053,1188 4.161,1189 4.031,1190 7.427,1191 4.007,1192 3.882,1193 3.92,1194 3.805,1195 3.801,1196 6.45,1197 3.792,1198 3.763,1199 3.793,1200 3.681,1201 3.701,1202 4.84,1203 3.691,1204 3.339,1205 3.365,1206 3.367,1207 3.269,1208 4.684,1209 3.254,1210 3.18,1211 3.206,1212 3.212,1213 3.032,1214 4.383,1215 3.042,1216 3.111,1217 3.198,1218 3.071,1219 2.946,1220 4.105,1221 2.91,1222 2.971,1223 3.001,1224 2.866,1225 2.941,1226 3.67,1227 2.875,1228 2.814,1229 2.876,1230 2.7,1231 2.706,1232 3.663,1233 2.687,1234 0.169,1235 0.171,1236 0.258,1237 0.157,1238 0.121,1239 4.567,1240 0.156,1241 4.606,1242 0.109,1243 6.969,1244 0.436,1245 4.237,1246 0.117,1247 3.273,1248 4.212,1249 2.95,1250 11.768,1251 3.168,1252 2.008,1253 2.002,1254 2.088,1255 2.056,1256 1.447,1257 2.071,1258 1.881,1259 1.845,1260 2.034,1261 2.005,1262 1.211,1263 2.027,1264 1.775,1265 1.744,1266 1.897,1267 1.849,1268 0.989,1269 1.867,1270 1.325,1271 1.301,1272 1.513,1273 1.462,1274 0.825,1275 1.47,1276 1.153,1277 1.102,1278 1.485,1279 1.376,1280 0.728,1281 1.429,1282 1.126,1283 1.064,1284 1.278,1285 1.311,1286 0.346,1287 1.295,1288 0.964,1289 0.933,1290 1.138,1291 1.076,1292 0.259,1293 1.121,1294 0.838,1295 0.781,1296 1.11,1297 1.001,1298 0.165,1299 1.045,1300 4.007,1302 5.352,1304 6.911,1306 8.565,1308 10.266,1314 10.508,1315 4.719,1319 1.622,1322 -0.862,1325 6.131,1326 28.358,1327 57.18,1328 138.345,1329 158.852,1330 192.968,1331 204.477,1332 204.477,1333 42.309,1334 7.508,1335 37.3,1336 65.54,1337 24,1338 12.526,1339 3.907,1340 3.322,1341 33.981,1342 87,1343 78,1344 0.197,1345 175.413,1346 312.95,1347 419.767,1348 18653,1350 16.571,1351 0.69,1352 0.59,1353 16.924,1354 14.157,1355 11.646,1356 0.431,1357 0.34,1358 8.401,1359 11.064,1360 8.139,1361 6.706,1362 12.054,1363 9.175,1364 10.816,1365 0.277,1366 0.194,1367 11.458,1368 7.564,1369 9.298,1370 0.179,1371 0.112,1372 10.107,1373 5.848,1374 7.693,1375 0.113,1376 0.064,1377 8.633,1378 4.383,1379 6.625,1380 0.073,1381 0.037,1382 7.607,1383 3.366,1384 0.309,1385 75.033,1386 0.233,1387 23.376,1388 0.545,1389 132,1390 326.746,1391 162.495,1392 346.899,1393 478.81,1394 324,1395 157,1396 337.41,1397 185.035,1398 363.145,1399 536.7,1400 344,1401 6.796}
{0 CHEMBL1312744,1 1.613,2 8.913,3 0.41,4 0.168,5 77.869,6 8.351,7 0.231,8 3.803,9 3.875,10 3.454,11 3.285,12 4.98,13 3.324,14 4.379,15 4.476,16 3.873,17 3.711,18 5.633,19 3.738,20 4.64,21 4.801,22 3.84,23 3.777,24 5.772,25 3.772,26 4.571,27 4.727,28 3.857,29 3.638,30 5.993,31 3.663,32 4.454,33 4.629,34 3.605,35 3.505,36 5.948,37 3.49,38 4.263,39 4.454,40 3.381,41 3.404,42 5.453,43 3.365,44 4.18,45 4.358,46 3.42,47 3.362,48 5.373,49 3.341,50 4.156,51 4.307,52 3.342,53 3.207,54 5.407,55 3.222,56 0.189,57 0.52,58 6.525,59 3.691,60 19.586,61 3.817,62 0.543,63 0.863,64 13.627,65 6.372,66 59.543,67 6.797,68 0.872,69 1.05,70 21.853,71 7.747,72 86.183,73 8.87,74 0.956,75 0.961,76 20.466,77 6.81,78 92.161,79 8.053,80 0.9,81 0.84,82 19.23,83 6.21,84 117.598,85 7.493,86 0.596,87 0.72,88 15.774,89 5.472,90 67.032,91 6.735,92 0.466,93 0.661,94 13.784,95 5.343,96 37.656,97 6.586,98 0.597,99 0.585,100 13.889,101 4.83,102 57.969,103 5.323,104 11,105 38,106 0.29,107 0.687,108 0.809,109 0.86,110 0.888,111 0.907,112 3.189,113 0.854,114 -1.92,115 -1.97,116 -1.97,120 42.1,123 2,126 2,128 2,136 2,143 3,145 3,159 2,168 1,172 1,174 3,175 1,177 8,180 2,182 4,185 3,186 1,188 1,189 5,190 1,194 3,197 3,198 1,200 2,201 5,202 1,204 3,206 2,207 1,209 2,210 1,213 1,214 3,217 3,218 1,219 2,222 3,226 1,227 3,235 3,236 2,239 1,240 5,245 2,247 3,248 1,251 1,252 3,253 1,257 1,260 1,263 2,264 2,265 1,267 1,274 658,275 15.585,276 15.585,277 15.585,278 15.585,279 15.585,280 14.394,281 23.589,282 9.014,283 15.998,284 12.85,285 12.85,286 12.85,287 12.85,288 12.85,289 10.895,290 31.946,291 4.268,292 13.526,293 3.635,294 1.431,295 0.757,296 0.474,297 0.316,298 0.211,299 3.884,306 1,307 1,308 456,309 3.24,312 105.597,313 180.254,317 97.223,320 1.323,321 38.918,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52.5,333 205,334 4.418,335 3.974,336 7.034,337 4.306,338 3.328,339 3.922,340 2.341,341 12.038,342 3.252,343 4.273,344 3.607,345 6.186,346 3.87,347 2.926,348 3.536,349 1.907,350 9.238,351 2.76,352 3.735,353 3.259,354 5.867,355 3.45,356 2.476,357 2.983,358 1.307,359 7.869,360 2.403,361 3.518,362 3.209,363 5.378,364 3.21,365 2.242,366 2.681,367 0.86,368 6.835,369 2.145,370 3.38,371 2.439,372 5.169,373 3.034,374 2.067,375 2.558,376 0.86,377 6.164,378 1.983,379 2.923,380 2.286,381 4.645,382 2.542,383 1.618,384 2.061,385 0.447,386 4.492,387 1.511,388 2.716,389 2.175,390 4.41,391 2.53,392 1.564,393 1.697,394 0.149,395 4.309,396 1.469,397 2.533,398 1.831,399 3.943,400 2.318,401 1.396,402 1.477,404 3.02,405 1.273,406 2.467,407 1.794,408 3.612,409 2.035,410 1.025,411 1.337,413 2.641,414 1.021,415 1.942,416 1.121,417 3.266,418 1.598,419 0.695,420 0.829,422 1.62,423 0.62,424 1.896,425 1.02,426 3.176,427 1.506,428 0.6,429 0.721,431 1.523,432 0.536,433 1.197,434 0.713,435 2.901,436 0.869,437 -0.086,438 -0.101,440 -0.227,441 -0.081,442 0.765,443 0.506,444 2.494,445 0.519,446 -0.501,447 -0.549,449 -1.48,450 -0.49,451 0.687,452 0.19,453 2.268,454 0.313,455 -0.618,456 -0.729,458 -1.591,459 -0.564,460 0.575,461 -0.102,462 2.223,463 0.208,464 -0.76,465 -0.932,467 -1.846,468 -0.728,469 10.4,470 0.452,471 0.627,472 0.027,473 27.25,474 1.185,475 11.5,476 0.5,477 15.75,478 0.685,479 17.883,480 0.778,481 25.6,482 0.674,483 20.336,484 0.884,485 5.469,486 0.238,487 5.662,488 0.246,489 0.096,491 0.433,496 0.836,497 1.208,498 0.68,499 1.104,500 0.678,501 0.889,502 0.927,503 1.196,504 0.872,505 1.138,506 0.542,507 1.023,508 1.13,509 1.053,510 1.093,511 0.998,512 1.011,513 1.021,514 0.971,515 1.113,516 0.956,517 1.042,518 1.289,519 0.999,520 0.986,521 0.928,522 1.072,523 0.929,524 1.228,525 1.01,526 0.907,527 0.866,528 1.008,529 0.891,530 1.099,531 0.954,532 0.742,533 0.989,534 0.814,535 1.052,536 0.596,537 0.976,538 1.285,539 1.015,540 1.099,541 1.071,542 1.313,543 1.038,544 4.5,545 0.058,546 2.444,547 1.813,548 1.718,549 0.646,550 0.416,551 0.28,552 0.242,553 0.145,554 5814,555 18568,556 2.141,557 39.5,559 11,562 2,563 2,567 1.657,568 2,569 3.141,570 0.364,572 1,575 61.308,576 1.613,577 3.817,578 4.491,579 4.774,580 4.932,581 5.037,582 2.512,583 4.176,584 4.5,585 3.292,586 832.792,587 7.745,588 9317.31,590 1,593 199.421,594 1.422,595 4.454,596 0.173,597 0.006,598 0.064,599 0.052,600 0.051,601 0.025,602 0.019,603 0.012,604 0.012,605 0.009,606 0.423,607 0.5,608 1,609 0.777,610 106.584,611 -0.108,612 -0.055,613 0.031,614 -0.023,615 -0.075,616 0.04,617 -0.043,618 -0.123,619 -0.059,620 -0.102,621 0.081,622 -0.094,623 -0.168,624 -0.055,625 -0.141,626 -0.029,627 -0.162,628 -0.063,629 0.076,630 -0.108,631 0.025,632 -0.105,633 -0.017,634 -0.07,635 0.041,636 0.052,637 -0.065,638 0.009,639 0.125,640 -0.056,641 -0.058,642 0.123,643 -0.034,644 0.084,645 -0.105,646 0.052,647 0.059,648 -0.015,649 0.132,650 -0.043,651 0.099,652 0.051,653 -0.148,654 -0.103,655 -0.09,656 -0.101,657 -0.193,658 -0.081,659 2.691,660 5.527,661 0.739,662 15.592,663 1.033,664 1.123,665 0.687,666 0.472,667 0.66,668 3.296,669 3.664,670 3.989,671 4.331,672 4.511,673 4.511,674 4.575,675 4.615,676 4.691,677 4.745,678 5.461,679 0.658,680 317.32,681 3.296,682 4.86,683 5.74,684 6.65,685 7.548,686 8.461,687 9.366,688 10.281,689 11.19,690 12.105,691 2.6,698 1,709 3,714 3,716 6,735 2,738 38,739 9,740 1,741 26,743 41,744 16,745 6,746 3,747 3,752 4,753 6,763 2,764 2,766 2,768 10,769 6,770 2,772 3,778 2,780 2,782 2,785 1,786 1,789 15,790 7,791 2,792 7,797 1,803 0.5,804 6,810 1,822 2,823 3,827 1,838 1,840 1,845 2,853 1,854 1,855 2,862 23,868 1,869 2,871 1,872 3,874 4,886 15.8,888 1,889 2,890 1,891 2,893 11.5,894 6.533,895 4.917,896 2.21,898 1.529,899 1.209,900 0.947,901 3.6,902 8.841,903 3.497,904 4.016,905 4.491,906 5.006,907 5.431,908 5.539,909 5.759,910 5.947,911 6.094,912 6.223,913 0.833,914 35,915 8.622,917 3.994,918 8.094,919 15.906,921 13.782,924 2.594,925 59.667,929 153.024,930 75.424,931 18.011,933 125.973,936 75.424,937 278.997,938 18.011,940 27.196,941 47.381,942 109.588,943 35.243,945 153.024,947 153.024,948 93.435,949 125.973,952 153.024,953 114.973,954 11,956 27.196,957 47.287,958 18.952,960 153.024,961 143.984,962 75.424,965 153.024,966 28.043,967 47.381,968 18.011,969 125.973,970 153.024,971 143.984,972 75.424,973 0.592,974 0.355,975 0.208,976 0.11,977 21,978 9,979 0.073,980 3,981 3,982 1.294,983 3.537,984 193.41,985 0.353,986 16,987 104.042,993 14.693,994 5.636,995 2.527,997 143.984,998 5.09,1003 1.729,1005 60.694,1006 372.432,1007 32,1013 23.947,1015 3.454,1017 -1.393,1020 39.251,1021 42.661,1022 0.307,1023 0.727,1024 0.856,1025 0.91,1026 0.94,1027 0.96,1028 4.783,1029 1.396,1030 5.746,1031 4.309,1032 4.344,1033 4.7,1034 3.108,1035 6.613,1036 4.253,1037 5.964,1038 1.025,1039 7.336,1040 3.02,1041 4.007,1042 4.494,1043 2.591,1044 7.618,1045 3.909,1046 7.267,1047 0.695,1048 9.027,1049 2.641,1050 5.984,1051 6.719,1052 4.143,1053 10.766,1054 5.825,1055 8.599,1056 0.6,1057 10.779,1058 1.62,1059 6.479,1060 7.303,1061 4.392,1062 12.645,1063 6.31,1064 9.964,1065 -0.086,1066 12.571,1067 1.523,1068 7.944,1069 9.04,1070 5.517,1071 15.322,1072 7.732,1073 11.351,1074 -0.501,1075 14.391,1076 -0.227,1077 8.819,1078 9.982,1079 6.092,1080 17.564,1081 8.593,1082 12.756,1083 -0.618,1084 16.234,1085 -1.48,1086 10.095,1087 11.525,1088 7.048,1089 20.098,1090 9.836,1091 3.328,1092 -0.76,1093 18.094,1094 -1.591,1095 11.143,1096 12.647,1097 7.767,1098 22.487,1099 10.866,1100 2.926,1101 12.038,1102 19.967,1103 -1.846,1104 12.351,1105 14.1,1106 8.655,1107 24.979,1108 12.05,1109 2.476,1110 9.238,1111 21.853,1112 3.922,1113 13.476,1114 15.319,1115 9.44,1116 27.426,1117 13.155,1118 2.242,1119 7.869,1120 23.748,1121 3.536,1122 14.664,1123 16.727,1124 10.301,1125 29.909,1126 14.322,1127 2.067,1128 6.835,1129 25.652,1130 2.983,1131 15.823,1132 18.001,1133 11.117,1134 32.379,1135 15.462,1136 1.618,1137 6.164,1138 27.562,1139 2.681,1140 17.008,1141 19.386,1142 11.968,1143 34.862,1144 16.626,1145 1.564,1146 4.492,1147 29.478,1148 2.558,1149 18.184,1150 20.692,1151 12.8,1152 37.341,1153 17.783,1154 5451,1155 9828,1156 17.512,1157 25.063,1158 40.528,1159 41.614,1160 41.06,1161 39.813,1162 39.874,1163 47.601,1164 15.743,1165 119.5,1166 37.947,1167 5.37,1168 5.974,1169 6.721,1170 5.446,1171 5.328,1172 6.922,1173 3.925,1174 19.254,1175 5.252,1176 10.05,1177 1.559,1178 1.601,1179 1.579,1180 1.531,1181 1.534,1182 1.831,1183 0.606,1184 4.596,1185 1.459,1186 4.029,1187 4.047,1188 3.971,1189 3.902,1190 7.474,1191 3.914,1192 3.924,1193 3.938,1194 3.871,1195 3.814,1196 7.428,1197 3.824,1198 3.502,1199 3.545,1200 3.407,1201 3.275,1202 6.351,1203 3.295,1204 3.355,1205 3.366,1206 3.291,1207 3.152,1208 4.953,1209 3.17,1210 3.281,1211 3.294,1212 3.193,1213 3.013,1214 4.764,1215 3.062,1216 2.906,1217 2.946,1218 2.796,1219 2.738,1220 4.378,1221 2.739,1222 2.767,1223 2.826,1224 2.641,1225 2.616,1226 4.213,1227 2.616,1228 2.623,1229 2.679,1230 2.471,1231 2.351,1232 3.754,1233 2.369,1234 0.17,1235 0.153,1236 0.271,1237 0.166,1238 0.128,1239 4.418,1240 0.151,1241 3.974,1242 0.09,1243 7.034,1244 0.463,1245 4.306,1246 0.125,1247 3.328,1248 3.922,1249 2.341,1250 12.038,1251 3.252,1252 1.9,1253 1.882,1254 1.994,1255 2.039,1256 1.313,1257 2.023,1258 1.792,1259 1.768,1260 1.925,1261 1.922,1262 1.104,1263 1.92,1264 1.43,1265 1.382,1266 1.685,1267 1.676,1268 0.919,1269 1.674,1270 1.269,1271 1.252,1272 1.44,1273 1.54,1274 0.707,1275 1.503,1276 1.243,1277 1.212,1278 1.426,1279 1.451,1280 0.542,1281 1.443,1282 0.945,1283 0.913,1284 1.163,1285 1.285,1286 0.209,1287 1.23,1288 0.841,1289 0.803,1290 1.063,1291 1.085,1292 0.107,1293 1.084,1294 0.664,1295 0.641,1296 0.906,1297 0.948,1298 0.055,1299 0.942,1300 3.97,1302 5.323,1303 3.045,1304 6.878,1305 5.416,1306 8.531,1307 7.545,1308 10.236,1314 9.348,1315 0.949,1317 2.752,1318 16.412,1320 -2.621,1326 24.998,1327 61.308,1328 145.057,1329 170.666,1330 181.421,1331 187.421,1332 191.421,1333 46.307,1334 7.313,1335 94.09,1336 94.09,1337 22,1338 12.618,1339 3.322,1340 2.807,1341 31.89,1342 76,1343 69,1344 0.208,1345 147.882,1346 272.92,1347 352.591,1348 14349,1350 15.974,1351 0.695,1352 0.526,1353 15.974,1354 12.099,1355 11.131,1356 0.428,1357 0.285,1358 7.245,1359 10.48,1360 7.202,1361 5.802,1362 11.131,1363 7.404,1364 10.429,1365 0.274,1366 0.15,1367 10.429,1368 5.688,1369 8.827,1370 0.167,1371 0.081,1372 8.827,1373 4.297,1374 8.081,1375 0.108,1376 0.043,1377 8.081,1378 3.262,1379 6.362,1380 0.071,1381 0.023,1382 6.362,1383 2.108,1384 0.322,1385 71.559,1386 0.239,1387 22.325,1388 0.585,1389 128,1390 459.16,1391 147.99,1392 416.795,1393 553.93,1394 390,1395 155,1396 391.92,1397 174.495,1398 383.236,1399 571.91,1400 363,1401 4.586}
{0 CHEMBL1313217,1 1.642,2 7.619,3 3.434,4 11.789,5 82.146,6 8.565,7 0.522,8 3.661,9 3.768,10 3.354,11 3.273,12 4.818,13 3.25,14 4.165,15 4.332,16 3.777,17 3.642,18 5.32,19 3.612,20 4.355,21 4.513,22 3.863,23 3.769,24 5.568,25 3.741,26 4.427,27 4.611,28 3.852,29 3.727,30 5.718,31 3.684,32 4.38,33 4.565,34 3.64,35 3.672,36 5.568,37 3.612,38 4.348,39 4.572,40 3.642,41 3.624,42 5.502,43 3.52,44 4.266,45 4.484,46 3.06,47 3.459,48 5.332,49 3.288,50 4.017,51 4.332,52 2.858,53 3.142,54 4.763,55 2.919,56 0.02,57 0.501,58 5.408,59 2.903,60 4.256,61 3.631,62 0.161,63 0.816,64 11.877,65 5.02,66 12.763,67 6.566,68 0.205,69 0.977,70 15.697,71 5.292,72 22.14,73 6.289,74 0.304,75 0.985,76 17.983,77 6.523,78 40.388,79 8.308,80 0.329,81 0.952,82 15.776,83 5.463,84 41.455,85 6.198,86 0.241,87 0.851,88 18.74,89 6.993,90 33.802,91 9.328,92 0.324,93 0.763,94 18.732,95 6.055,96 50.793,97 7.297,98 0.164,99 0.561,100 16.574,101 5.807,102 22.423,103 8.416,104 26,105 34,106 0.299,107 0.64,108 0.725,109 0.86,110 0.86,111 0.86,112 3.105,113 0.91,114 -5.13,115 -5.03,116 -4.71,120 45.7,121 3,143 5,144 2,145 2,147 1,148 1,159 2,174 5,176 3,177 10,185 9,189 5,197 3,200 3,201 15,209 7,214 3,222 4,227 10,235 11,247 5,252 1,260 7,271 1,274 514,275 13.671,276 13.671,277 13.671,278 13.671,279 13.671,280 11.816,281 20.034,282 7.791,283 14.022,284 11.339,285 11.339,286 11.339,287 11.339,288 11.339,289 8.51,290 29.531,291 3.715,292 11.953,293 3.487,294 1.614,295 1.147,296 0.408,297 0.408,298 0.408,299 3.777,303 1,305 1,306 1,307 1,308 341,309 2.121,313 155.065,317 82.797,320 1.447,321 20.983,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 44.833,333 160,334 4.56,335 3.841,336 6.907,337 4.225,338 3.266,339 4.143,340 1.506,341 11.513,342 3.136,343 4.187,344 3.025,345 6.204,346 3.767,347 2.804,348 3.831,349 1.041,350 9.162,351 2.699,352 3.835,353 2.989,354 5.476,355 3.435,356 2.482,357 3.224,358 0.227,359 7.187,360 2.356,361 3.535,362 2.8,363 5.249,364 3.077,365 2.137,366 2.803,368 6.281,369 1.997,370 3.376,371 2.474,372 4.908,373 2.905,374 1.98,375 2.628,377 5.574,378 1.831,379 3.232,380 2.147,381 4.699,382 2.855,383 1.879,384 2.481,386 4.963,387 1.762,388 2.988,389 2.018,390 4.618,391 2.546,392 1.585,393 2.13,395 4.692,396 1.495,397 2.614,398 1.421,399 3.907,400 2.103,401 1.104,402 1.612,404 2.83,405 1.085,406 1.595,407 0.842,408 3.253,409 1.085,410 0.114,411 0.146,413 0.321,414 0.105,415 1.247,416 0.447,417 2.815,418 0.893,419 -0.074,420 -0.096,422 -0.187,423 -0.068,424 1,425 0.178,426 2.496,427 0.621,428 -0.347,429 -0.445,431 -0.891,432 -0.296,433 0.907,434 -0.11,435 2.382,436 0.504,437 -0.399,438 -0.492,440 -0.991,441 -0.336,442 0.77,443 -0.162,444 2.343,445 0.442,446 -0.526,447 -0.63,449 -1.258,450 -0.514,451 0.465,452 -0.491,453 1.924,454 -0.017,455 -1,456 -1.297,458 -2.785,459 -0.962,460 0.152,461 -0.711,462 1.814,463 -0.126,464 -1.098,465 -1.468,467 -3.025,468 -0.987,469 10.248,470 0.488,471 0.72,472 0.034,473 29.75,474 1.417,475 16,476 0.762,477 13.75,478 0.655,479 15.913,480 0.758,481 21.552,482 0.616,483 20.026,484 0.954,485 5.761,486 0.274,487 4.191,488 0.2,489 0.249,491 0.429,496 0.619,497 1.335,498 0.566,499 0.954,500 0.587,501 0.874,502 0.522,503 1.058,504 0.51,505 0.763,506 0.499,507 0.704,508 1.359,509 1.154,510 1.044,511 0.948,512 1.104,513 0.926,514 0.904,515 1.189,516 0.758,517 1.042,518 1.003,519 0.96,520 1.793,521 0.915,522 1.013,523 0.839,524 1.941,525 1.009,526 0.511,527 1.032,528 0.668,529 1.05,530 0.592,531 0.983,532 1.635,533 0.909,534 1.487,535 1.193,536 1.949,537 1.369,538 0.153,539 0.669,540 0.58,541 0.805,542 0.138,543 0.83,544 5.5,545 0.012,546 2.444,547 2.438,548 1.742,549 1.007,550 0.423,551 0.295,552 0.106,553 0.101,554 3783,555 11391,556 2.018,557 40,558 3,559 5,563 6,567 1.637,568 1.826,569 2.91,570 -0.75,572 1,574 1,575 57.467,576 1.642,577 3.515,578 3.982,579 4.722,580 4.722,581 4.722,582 2.529,583 4.107,584 4.365,585 3.056,586 641.717,587 7.506,588 6500.47,589 1,590 1,591 1,592 1,593 179.525,594 1.545,595 4.289,596 0.239,597 0.004,598 0.072,599 0.068,600 0.051,601 0.037,602 0.017,603 0.023,604 0.011,605 0.02,606 0.542,607 0.67,608 1,609 0.702,610 92.267,611 -0.015,612 -0.239,613 0.026,614 -0.078,615 -0.087,616 -0.023,617 0.241,618 0.013,619 0.22,620 0.139,621 0.13,622 0.198,623 -0.278,624 -0.019,625 -0.184,626 -0.083,627 -0.171,628 -0.096,629 0.209,630 -0.173,631 0.07,632 -0.125,633 0.241,634 -0.048,635 -0.46,636 0.173,637 -0.263,638 0.027,639 -0.4,640 -0.164,641 0.29,642 -0.129,643 0.221,644 -0.051,645 0.301,646 0.049,647 -0.435,648 0.02,649 -0.481,650 -0.21,651 -0.498,652 -0.397,653 0.323,654 0.123,655 0.405,656 0.283,657 0.257,658 0.361,659 1.799,660 5.724,661 0.762,662 13.356,663 1.007,664 1.118,665 3.903,666 15.236,667 0.711,668 3.178,669 3.555,670 3.829,671 4.159,672 4.382,673 4.511,674 4.477,675 4.663,676 4.585,677 4.564,678 4.672,679 0.679,680 299.78,681 3.178,682 4.745,683 5.609,684 6.521,685 7.403,686 8.319,687 9.209,688 10.127,689 11.02,690 11.94,691 8.6,698 1,700 1,701 1,709 5,710 1,714 6,716 12,724 1,737 1,738 35,739 14,740 1,741 23,743 37,744 16,745 11,746 3,747 3,748 2,752 3,753 4,754 1,759 3,768 13,769 3,772 2,778 1,781 1,782 2,785 1,786 1,789 14,790 4,792 5,793 1,797 3,799 1,803 0.667,804 1,816 1,823 3,827 1,855 2,859 3,860 1,862 21,875 1,885 1,886 2.9,889 1,893 11.5,894 7.576,895 4.472,896 2.08,898 2.788,899 1.406,900 0.991,901 3.361,902 9.659,903 3.466,904 4.111,905 4.673,906 5.295,907 5.812,908 6.111,909 6.315,910 6.775,911 7.021,912 7.338,913 1,914 36,915 7.743,917 3.304,918 7.807,919 14.587,921 11.832,924 2.307,925 48.444,929 164.795,930 98.603,931 36.695,932 39.149,933 25.145,936 98.603,937 229.089,938 36.695,939 26.476,940 3.124,941 47.381,942 48.963,943 32.171,944 2.328,945 164.795,946 39.149,947 164.795,948 135.298,949 25.145,950 39.149,952 164.795,953 25.145,956 49.142,957 69.37,958 55.934,960 164.795,961 61.84,962 137.751,965 164.795,966 24.746,967 76.981,969 97.865,970 164.795,971 61.84,972 137.751,973 0.599,974 0.347,975 0.2,976 0.109,977 18,978 9,979 0.027,980 1,981 1,982 1.125,983 3.158,984 169.666,985 0.125,986 16,987 92.239,993 13.934,994 5.065,995 2.483,997 61.84,998 8.945,999 4.447,1003 4.222,1006 364.387,1007 31,1013 12.724,1016 4.472,1017 0.457,1020 35.258,1021 39.14,1022 0.32,1023 0.685,1024 0.776,1025 0.921,1026 0.921,1027 0.921,1028 4.727,1029 1.104,1030 5.638,1031 4.692,1032 4.234,1033 4.796,1034 1.958,1035 6.5,1036 4.138,1037 5.975,1038 0.114,1039 7.232,1040 2.83,1041 4.007,1042 4.718,1043 1.048,1044 7.476,1045 3.845,1046 7.307,1047 -0.074,1048 8.921,1049 0.321,1050 5.878,1051 7,1052 2.312,1053 10.614,1054 5.697,1055 8.667,1056 -0.347,1057 10.665,1058 -0.187,1059 6.382,1060 7.622,1061 1.951,1062 12.404,1063 6.147,1064 10.051,1065 -0.399,1066 12.444,1067 -0.891,1068 7.804,1069 9.448,1070 2.835,1071 15.095,1072 7.546,1073 11.455,1074 -0.526,1075 14.251,1076 -0.991,1077 8.66,1078 10.424,1079 2.805,1080 17.251,1081 8.357,1082 12.874,1083 -1,1084 16.079,1085 -1.258,1086 9.912,1087 12.043,1088 3.477,1089 19.779,1090 9.579,1091 3.266,1092 -1.098,1093 17.924,1094 -2.785,1095 10.937,1096 13.213,1097 3.645,1098 22.096,1099 10.561,1100 2.804,1101 11.513,1102 19.783,1103 -3.025,1104 12.126,1105 14.728,1106 4.199,1107 24.564,1108 11.717,1109 2.482,1110 9.162,1111 21.653,1112 4.143,1113 13.229,1114 16.003,1115 4.477,1116 26.949,1117 12.778,1118 2.137,1119 7.187,1120 23.534,1121 3.831,1122 14.4,1123 17.465,1124 4.965,1125 29.397,1126 13.912,1127 1.98,1128 6.281,1129 25.422,1130 3.224,1131 15.54,1132 18.799,1133 5.305,1134 31.812,1135 15.011,1136 1.879,1137 5.574,1138 27.317,1139 2.803,1140 16.708,1141 20.233,1142 5.757,1143 34.254,1144 16.14,1145 1.585,1146 4.963,1147 29.217,1148 2.628,1149 17.865,1150 21.599,1151 6.129,1152 36.683,1153 17.257,1154 3765,1155 6666,1156 14.74,1157 24.898,1158 35.586,1159 36.616,1160 37.225,1161 34.858,1162 34.703,1163 45.996,1164 5.546,1165 105.044,1166 32.932,1167 5.423,1168 5.841,1169 6.192,1170 5.298,1171 5.266,1172 7.143,1173 2.629,1174 19.079,1175 5.136,1176 12.117,1177 1.547,1178 1.592,1179 1.618,1180 1.516,1181 1.509,1182 2,1183 0.241,1184 4.567,1185 1.432,1186 4.028,1187 4.06,1188 4.06,1189 3.927,1190 7.428,1191 3.936,1192 3.868,1193 3.901,1194 3.865,1195 3.79,1196 4.973,1197 3.791,1198 3.502,1199 3.555,1200 3.601,1201 3.345,1202 4.853,1203 3.356,1204 3.251,1205 3.34,1206 3.186,1207 3.089,1208 4.581,1209 3.068,1210 3.183,1211 3.227,1212 3.052,1213 2.995,1214 4.122,1215 3.005,1216 2.958,1217 3.024,1218 2.999,1219 2.797,1220 4.029,1221 2.789,1222 2.852,1223 2.93,1224 2.716,1225 2.711,1226 3.833,1227 2.694,1228 2.602,1229 2.681,1230 2.674,1231 2.398,1232 3.64,1233 2.386,1234 0.198,1235 0.167,1236 0.3,1237 0.184,1238 0.142,1239 4.56,1240 0.18,1241 3.841,1242 0.065,1243 6.907,1244 0.501,1245 4.225,1246 0.136,1247 3.266,1248 4.143,1249 1.506,1250 11.513,1251 3.136,1252 1.955,1253 1.93,1254 2.027,1255 2.081,1256 1.136,1257 2.065,1258 1.853,1259 1.822,1260 1.959,1261 1.953,1262 1.07,1263 1.96,1264 1.46,1265 1.404,1266 1.687,1267 1.645,1268 0.764,1269 1.663,1270 1.28,1271 1.196,1272 1.627,1273 1.5,1274 0.696,1275 1.548,1276 1.115,1277 1.07,1278 1.37,1279 1.359,1280 0.436,1281 1.363,1282 0.939,1283 0.876,1284 1.156,1285 1.167,1286 0.218,1287 1.181,1288 0.866,1289 0.798,1290 1.13,1291 1.062,1292 0.185,1293 1.09,1294 0.606,1295 0.517,1296 0.925,1297 0.822,1298 0.022,1299 0.863,1300 3.85,1302 5.209,1304 6.767,1306 8.427,1308 10.139,1310 5.68,1311 5.961,1321 1.538,1326 23.767,1327 57.467,1328 123.021,1329 139.386,1330 165.26,1331 165.26,1332 165.26,1333 32.643,1334 6.871,1335 47.78,1336 47.78,1337 18,1338 12.454,1339 3.907,1340 3.17,1341 31.974,1342 58,1343 60,1344 0.281,1345 151.361,1346 262.36,1347 361.08,1348 7461,1349 2.9,1350 15.146,1351 0.721,1352 0.608,1353 15.646,1354 12.771,1355 9.952,1356 0.433,1357 0.303,1358 6.565,1359 9.357,1360 6.232,1361 5.216,1362 10.241,1363 6.979,1364 9.669,1365 0.284,1366 0.163,1367 10.077,1368 5.542,1369 7.677,1370 0.171,1371 0.079,1372 7.939,1373 3.548,1374 7.141,1375 0.113,1376 0.042,1377 7.376,1378 2.641,1379 5.242,1380 0.066,1381 0.021,1382 5.473,1383 1.655,1384 0.418,1385 64.784,1386 0.26,1387 20.18,1388 0.84,1389 114,1390 336.874,1391 139.033,1392 361.272,1393 489.61,1394 336,1395 136,1396 347.358,1397 155.578,1398 363.371,1399 533.6,1400 341,1401 4.445}
{0 CHEMBL1313238,1 1.927,2 9.364,3 2.674,4 7.149,5 88.28,6 10.104,7 0.417,8 3.642,9 3.721,10 3.501,11 3.278,12 4.903,13 3.249,14 4.12,15 4.23,16 3.999,17 3.672,18 5.492,19 3.61,20 4.314,21 4.472,22 3.892,23 3.705,24 5.57,25 3.626,26 4.279,27 4.436,28 3.811,29 3.621,30 5.591,31 3.512,32 4.072,33 4.204,34 3.718,35 3.515,36 5.444,37 3.397,38 3.967,39 4.057,40 3.907,41 3.352,42 5.752,43 3.329,44 3.806,45 3.944,46 3.437,47 3.302,48 5.085,49 3.171,50 3.781,51 3.937,52 3.206,53 3.095,54 5.104,55 3.026,56 0.128,57 0.491,58 3.443,59 2.794,60 16.492,61 2.528,62 0.32,63 0.838,64 10.57,65 5.154,66 40.081,67 4.697,68 0.424,69 0.943,70 14.719,71 6.666,72 59.519,73 5.943,74 0.506,75 0.932,76 19.065,77 7.116,78 73.106,79 6,80 0.362,81 0.78,82 16.923,83 6.45,84 46.536,85 5.445,86 0.418,87 0.651,88 11.731,89 4.957,90 86.704,91 3.841,92 0.209,93 0.599,94 13.512,95 5.084,96 25.761,97 4.256,98 0.281,99 0.546,100 9.333,101 3.815,102 36.342,103 3.028,104 20,105 34,106 0.353,107 0.76,108 0.846,109 0.891,110 0.902,111 0.902,112 3.147,113 0.961,114 -2.56,115 -2.58,116 -2.52,120 42.4,122 1,126 1,136 1,139 1,143 4,147 1,153 1,159 2,160 1,162 1,168 1,172 1,174 3,175 1,176 1,177 5,180 2,182 3,185 3,189 5,190 1,194 2,197 1,200 1,201 3,204 1,206 2,209 3,213 2,215 1,217 2,222 3,223 1,226 1,227 1,230 1,232 1,235 2,236 1,240 6,245 2,247 2,252 4,253 1,258 1,263 1,267 2,268 1,271 2,274 638,275 14.585,276 14.585,277 14.585,278 14.585,279 14.585,280 12.836,281 9.072,282 8.561,283 15.061,284 11.85,285 11.85,286 11.85,287 11.85,288 11.85,289 9.04,290 7.537,291 4.1,292 12.668,293 3.117,294 0.897,295 0.424,296 0.182,297 0.121,298 0.121,299 3.823,305 1,306 1,307 1,308 439,309 3.082,312 107.307,313 62.543,316 91.263,320 1.579,321 30.113,323 1,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 48.5,333 206,334 4.491,335 4.908,336 6.649,337 4.072,338 3.155,339 4.413,340 4.506,341 10.563,342 2.91,343 4.356,344 3.688,345 6.244,346 3.918,347 2.968,348 3.712,349 2.341,350 9.475,351 2.811,352 3.66,353 3.599,354 5.513,355 3.265,356 2.296,357 2.966,358 1.192,359 7.046,360 2.221,361 3.526,362 3.295,363 5.031,364 3.132,365 2.159,366 2.701,367 0.553,368 5.651,369 2.072,370 3.295,371 2.971,372 4.694,373 2.78,374 1.853,375 2.487,377 5.134,378 1.689,379 3.032,380 2.104,381 4.566,382 2.495,383 1.585,384 2.298,386 4.464,387 1.474,388 2.975,389 1.961,390 4.414,391 2.451,392 1.532,393 2.076,395 4.312,396 1.378,397 2.774,398 1.678,399 3.608,400 2.32,401 1.352,402 1.825,404 2.952,405 1.252,406 2.17,407 1.532,408 3.327,409 1.735,410 0.752,411 0.934,413 1.755,414 0.722,415 1.847,416 1.369,417 3,418 1.295,419 0.347,420 0.521,422 0.86,423 0.328,424 1.311,425 0.982,426 2.868,427 0.96,428 -0.013,429 -0.016,431 -0.033,432 -0.012,433 1.184,434 0.382,435 2.325,436 0.596,437 -0.301,438 -0.392,440 -0.75,441 -0.253,442 0.726,443 0.347,444 2.198,445 0.171,446 -0.763,447 -1.067,449 -1.895,450 -0.691,451 0.5,452 0.247,453 2,454 0.017,455 -1,456 -1.211,458 -2,459 -0.91,460 0.468,461 -0.345,462 1.785,463 -0.032,464 -1,465 -1.368,467 -2.606,468 -0.952,469 10.867,470 0.494,471 0.63,472 0.029,473 28,474 1.273,475 13.5,476 0.614,477 14.5,478 0.659,479 16.617,480 0.755,481 22.733,482 0.689,483 19.389,484 0.881,485 5.558,486 0.253,487 4.984,488 0.227,489 0.169,491 0.359,496 0.814,497 1.097,498 0.609,499 0.708,500 0.662,501 0.727,502 0.496,503 1.146,504 0.565,505 0.809,506 0.446,507 0.876,508 1.088,509 0.946,510 0.876,511 0.823,512 1.026,513 0.905,514 1.089,515 1.051,516 1.237,517 1.122,518 1.146,519 1.092,520 0.896,521 0.944,522 1.488,523 1.292,524 1.023,525 1.084,526 0.856,527 1.254,528 0.764,529 1.253,530 0.904,531 0.883,532 0.924,533 1.1,534 1.561,535 1.344,536 0.795,537 1.097,538 1.427,539 0.982,540 1.144,541 0.933,542 1.265,543 1.049,544 5,545 0.093,546 2.444,547 2.306,548 0.792,549 0.844,550 0.397,551 0.288,552 0.211,553 0.074,554 4976,555 18842,556 2.043,557 33.3,559 7,562 2,563 2,567 1.643,568 1.886,569 3.211,570 0.438,572 1,574 1,575 63.599,576 1.927,577 4.147,578 4.62,579 4.863,580 4.923,581 4.923,582 2.72,583 4.005,584 4.429,585 3.383,586 781.402,587 7.602,588 8612.56,589 1,590 1,591 1,592 1,593 166.465,594 1.495,595 4.376,596 0.208,597 0.012,598 0.072,599 0.074,600 0.03,601 0.034,602 0.015,603 0.015,604 0.013,605 0.006,606 0.48,607 0.33,608 1,609 1.258,610 101.499,611 -0.14,612 -0.091,613 0.003,614 0.055,615 -0.09,616 0.044,617 0.213,618 -0.111,619 0.202,620 0.034,621 0.158,622 -0.038,623 -0.19,624 0.033,625 0.007,626 0.08,627 -0.152,628 0.046,629 -0.104,630 -0.043,631 -0.145,632 -0.072,633 -0.15,634 -0.099,635 0.032,636 0.115,637 -0.246,638 -0.112,639 -0.079,640 -0.09,641 0.396,642 -0.273,643 0.348,644 -0.169,645 0.467,646 0.036,647 -0.166,648 -0.043,649 -0.285,650 -0.134,651 -0.045,652 -0.069,653 -0.371,654 0.018,655 -0.26,656 -0.038,657 -0.204,658 -0.132,659 2.629,660 5.263,661 0.636,662 18.273,663 1.03,664 1.11,665 1.327,666 1.761,667 0.749,668 3.219,669 3.555,670 3.807,671 4.078,672 4.205,673 4.248,674 4.357,675 4.489,676 4.489,677 4.511,678 5.677,679 0.718,680 333.42,681 3.219,682 4.762,683 5.609,684 6.494,685 7.363,686 8.253,687 9.132,688 10.024,689 10.908,690 11.801,691 9.1,698 1,699 1,701 1,708 2,709 4,710 1,711 1,714 1,716 10,738 33,739 14,740 1,741 24,743 35,744 14,745 7,746 2,747 4,748 3,752 3,753 4,766 1,768 12,769 2,772 4,778 2,779 1,780 1,782 4,785 1,786 1,789 11,790 5,791 2,792 8,793 2,794 1,797 3,800 1,803 0.667,804 3,822 2,823 1,826 1,840 1,845 2,852 1,853 1,855 2,857 2,862 22,868 1,869 2,873 1,875 1,886 9.1,888 1,889 2,893 11.667,894 5.933,895 4.778,896 1.85,898 2.791,899 1.405,900 0.971,901 4.29,902 9.675,903 3.526,904 4.115,905 4.662,906 5.246,907 5.711,908 6.061,909 6.504,910 6.951,911 7.054,912 7.36,913 1,914 31,915 8.119,917 3.534,918 8.121,919 14.933,921 12.187,924 2.621,925 57.667,929 105.94,930 143.214,931 36.695,933 92.973,935 77.412,936 65.803,937 198.913,938 36.695,940 7.765,941 47.381,942 119.252,943 18.93,944 2.144,945 138.159,946 45.192,947 105.94,948 102.498,949 92.973,950 77.412,952 105.94,953 92.973,956 29.022,957 45.664,958 27.813,959 77.412,960 105.94,961 129.669,962 143.214,965 105.94,966 50.641,967 50.506,968 16.786,969 154.951,970 105.94,971 129.669,972 143.214,973 0.586,974 0.331,975 0.178,976 0.095,977 17,978 8,979 0.114,980 4,981 1,982 1.143,983 3.444,984 169.814,985 0.143,986 14,987 98.107,989 1,990 1,993 15.217,994 6.202,995 3.242,996 1.699,997 112.883,998 7.563,999 4.382,1000 3.114,1003 0.569,1005 59.469,1006 378.823,1007 33,1013 22.886,1014 5.131,1015 1.639,1017 -0.435,1020 33.975,1021 36.624,1022 0.382,1023 0.822,1024 0.916,1025 0.964,1026 0.976,1027 0.976,1028 4.766,1029 1.352,1030 5.609,1031 4.312,1032 4.234,1033 4.8,1034 3.931,1035 6.425,1036 4.109,1037 5.986,1038 0.752,1039 7.174,1040 2.952,1041 3.892,1042 4.691,1043 3.389,1044 7.318,1045 3.692,1046 7.302,1047 0.347,1048 8.837,1049 1.755,1050 5.832,1051 6.994,1052 6.616,1053 10.42,1054 5.583,1055 8.651,1056 -0.013,1057 10.556,1058 0.86,1059 6.293,1060 7.703,1061 6.566,1062 12.156,1063 5.956,1064 10.031,1065 -0.301,1066 12.312,1067 -0.033,1068 7.736,1069 9.517,1070 9.515,1071 14.769,1072 7.353,1073 11.434,1074 -0.763,1075 14.095,1076 -0.75,1077 8.569,1078 10.622,1079 9.767,1080 16.856,1081 8.091,1082 12.855,1083 -1,1084 15.897,1085 -1.895,1086 9.818,1087 12.239,1088 12.455,1089 19.294,1090 9.288,1091 3.155,1092 -1,1093 17.715,1094 -2,1095 10.819,1096 13.538,1097 12.937,1098 21.526,1099 10.196,1100 2.968,1101 10.563,1102 19.545,1103 -2.606,1104 11.992,1105 15.071,1106 15.409,1107 23.9,1108 11.31,1109 2.296,1110 9.475,1111 21.384,1112 4.413,1113 13.067,1114 16.462,1115 16.071,1116 26.193,1117 12.296,1118 2.159,1119 7.046,1120 23.232,1121 3.712,1122 14.213,1123 17.96,1124 18.371,1125 28.544,1126 13.374,1127 1.853,1128 5.651,1129 25.085,1130 2.966,1131 15.319,1132 19.396,1133 19.177,1134 30.863,1135 14.397,1136 1.585,1137 5.134,1138 26.943,1139 2.701,1140 16.455,1141 20.881,1142 21.339,1143 33.207,1144 15.462,1145 1.532,1146 4.464,1147 28.806,1148 2.487,1149 17.577,1150 22.339,1151 22.261,1152 35.539,1153 16.501,1154 4900,1155 9654,1156 15.72,1157 24.722,1158 36.755,1159 41.289,1160 37.497,1161 36.126,1162 35.998,1163 47.869,1164 17.184,1165 104.425,1166 33.714,1167 5.43,1168 6.908,1169 6.332,1170 5.201,1171 5.155,1172 7.413,1173 8.641,1174 17.538,1175 4.91,1176 11.651,1177 1.531,1178 1.72,1179 1.562,1180 1.505,1181 1.5,1182 1.995,1183 0.716,1184 4.351,1185 1.405,1186 4.105,1187 4.147,1188 4.221,1189 3.991,1190 7.474,1191 4.001,1192 3.816,1193 3.837,1194 4.036,1195 3.767,1196 7.428,1197 3.711,1198 3.564,1199 3.584,1200 3.52,1201 3.403,1202 6.351,1203 3.408,1204 3.369,1205 3.407,1206 3.466,1207 3.244,1208 5.073,1209 3.217,1210 3.013,1211 3.048,1212 3.214,1213 2.937,1214 4.751,1215 2.869,1216 2.909,1217 2.975,1218 3.003,1219 2.776,1220 4.383,1221 2.769,1222 2.822,1223 2.805,1224 2.791,1225 2.674,1226 3.926,1227 2.67,1228 2.671,1229 2.66,1230 2.659,1231 2.396,1232 3.852,1233 2.437,1234 0.187,1235 0.205,1236 0.277,1237 0.17,1238 0.131,1239 4.491,1240 0.184,1241 4.908,1242 0.188,1243 6.649,1244 0.44,1245 4.072,1246 0.121,1247 3.155,1248 4.413,1249 4.506,1250 10.563,1251 2.91,1252 1.91,1253 1.881,1254 2.011,1255 2.008,1256 1.1,1257 2.011,1258 1.66,1259 1.627,1260 1.826,1261 1.866,1262 1.097,1263 1.852,1264 1.584,1265 1.552,1266 1.668,1267 1.756,1268 0.787,1269 1.742,1270 1.197,1271 1.2,1272 1.291,1273 1.486,1274 0.335,1275 1.423,1276 1.136,1277 1.116,1278 1.162,1279 1.26,1280 0.312,1281 1.279,1282 0.944,1283 0.892,1284 1.125,1285 1.125,1286 0.188,1287 1.127,1288 0.744,1289 0.712,1290 0.92,1291 0.993,1293 0.997,1294 0.677,1295 0.641,1296 0.77,1297 0.883,1299 0.938,1300 3.892,1302 5.22,1303 3.045,1304 6.72,1305 5.476,1306 8.3,1307 7.6,1308 9.926,1314 8.71,1315 -0.054,1319 1.154,1321 1.308,1326 23.69,1327 63.599,1328 136.855,1329 152.465,1330 160.465,1331 162.465,1332 162.465,1333 41.871,1334 6.884,1335 87.98,1336 148.31,1337 16,1338 12.33,1339 3.907,1340 3.322,1341 34.555,1342 74,1343 71,1344 0.231,1345 154.097,1346 267.15,1347 367.757,1348 8143,1350 15.69,1351 0.713,1352 0.587,1353 16.543,1354 12.909,1355 10.542,1356 0.439,1357 0.32,1358 6.47,1359 9.495,1360 6.265,1361 5.138,1362 11.239,1363 7.688,1364 9.845,1365 0.29,1366 0.185,1367 11.02,1368 6.292,1369 7.876,1370 0.179,1371 0.102,1372 9.025,1373 4.476,1374 6.597,1375 0.114,1376 0.058,1377 7.912,1378 3.349,1379 4.962,1380 0.075,1381 0.032,1382 6.026,1383 2.114,1384 0.361,1385 73.306,1386 0.252,1387 21.752,1388 0.639,1389 116,1390 406.965,1391 174.68,1392 433.39,1393 571.76,1394 400,1395 136,1396 380.009,1397 180.907,1398 405.67,1399 596.26,1400 381,1401 5.109}
{0 CHEMBL1313388,1 1.526,2 9.478,3 2.991,4 8.947,5 84.648,6 8.537,7 0.48,8 3.702,9 3.775,10 3.371,11 3.306,12 4.994,13 3.312,14 4.149,15 4.253,16 3.733,17 3.648,18 5.473,19 3.649,20 4.385,21 4.511,22 3.828,23 3.723,24 5.75,25 3.734,26 4.391,27 4.527,28 3.726,29 3.603,30 5.931,31 3.6,32 4.254,33 4.438,34 3.474,35 3.472,36 5.57,37 3.439,38 4.101,39 4.269,40 3.355,41 3.346,42 5.425,43 3.323,44 4.058,45 4.224,46 3.292,47 3.279,48 5.348,49 3.265,50 3.927,51 4.08,52 3.277,53 3.239,54 5.222,55 3.226,56 0.086,57 0.437,58 5.232,59 3.209,60 11.447,61 3.322,62 0.222,63 0.693,64 9.413,65 5.073,66 23.343,67 5.586,68 0.31,69 0.868,70 13.731,71 6.265,72 40.83,73 6.455,74 0.654,75 0.86,76 15.234,77 6.142,78 82.044,79 6.427,80 0.368,81 0.773,82 14.504,83 5.724,84 54.492,85 6.581,86 0.268,87 0.667,88 11.568,89 4.752,90 33.462,91 5.221,92 0.336,93 0.608,94 12.024,95 4.651,96 49.485,97 4.853,98 0.204,99 0.529,100 9.628,101 4.259,102 30.944,103 4.716,104 18,105 35,106 0.273,107 0.621,108 0.749,109 0.868,110 0.902,111 0.902,112 3.188,113 0.835,114 -3.47,115 -3.45,116 -3.29,120 50,121 1,137 1,140 1,143 8,144 2,145 2,155 1,158 2,174 8,177 10,180 1,182 1,185 10,189 7,197 7,200 3,201 6,204 2,206 2,209 5,213 1,214 4,219 2,222 4,227 6,232 3,235 3,240 6,245 2,247 5,252 2,257 1,260 7,263 2,264 3,267 1,269 1,271 8,274 691,275 15.345,276 15.345,277 15.345,278 15.345,279 15.345,280 13.229,281 16.409,282 8.987,283 15.387,284 12.307,285 12.307,286 12.307,287 12.307,288 12.307,289 9.064,290 20.634,291 4.227,292 12.376,293 3.643,294 1.702,295 0.986,296 0.32,297 0.132,298 0.132,299 3.868,305 1,306 1,307 1,308 465,309 2.915,313 190.717,317 100.808,320 1.369,321 33.066,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 50.5,333 218,334 4.545,335 3.706,336 6.746,337 4.187,338 3.187,339 4.123,340 1.277,341 10.914,342 3.187,343 4.203,344 3.547,345 5.978,346 3.825,347 2.816,348 3.813,349 1.216,350 8.471,351 2.842,352 3.939,353 2.964,354 5.925,355 3.477,356 2.488,357 3.43,358 0.6,359 8.118,360 2.457,361 3.648,362 2.765,363 5.234,364 3.251,365 2.258,366 2.975,368 6.506,369 2.234,370 3.339,371 2.6,372 5.181,373 3.024,374 2.029,375 2.5,377 6.005,378 2.003,379 2.955,380 1.98,381 3.948,382 2.453,383 1.457,384 2.094,386 3.206,387 1.446,388 2.874,389 1.637,390 3.793,391 2.387,392 1.385,393 2,395 3.05,396 1.381,397 2.564,398 1.456,399 3.696,400 2.123,401 1.126,402 1.525,404 2.856,405 1.121,406 2.53,407 1.311,408 3.454,409 2.027,410 1,411 1.475,413 2.324,414 1.023,415 2.465,416 1.167,417 3.43,418 1.833,419 0.825,420 1.273,422 1.98,423 0.824,424 1.554,425 0.736,426 2.915,427 1.054,428 0.049,429 0.068,431 0.126,432 0.049,433 1.109,434 0.347,435 2.637,436 0.823,437 -0.13,438 -0.153,440 -0.315,441 -0.122,442 0.827,443 0.314,444 2.226,445 0.347,446 -0.647,447 -0.886,449 -1.533,450 -0.638,451 0.669,452 -0.324,453 2,454 0.221,455 -0.793,456 -1.03,458 -1.917,459 -0.796,460 0.653,461 -0.475,462 2,463 0.186,464 -0.825,465 -1.127,467 -2,468 -0.836,469 10.733,470 0.467,471 0.613,472 0.027,473 33.25,474 1.446,475 19,476 0.826,477 14.25,478 0.62,479 14.282,480 0.621,481 23.467,482 0.652,483 24.591,484 1.069,485 6.875,486 0.299,487 4.184,488 0.182,489 0.14,491 0.373,496 0.738,497 1.009,498 0.674,499 0.92,500 0.682,501 0.813,502 0.634,503 1.07,504 0.689,505 0.998,506 0.591,507 0.886,508 1.167,509 1.153,510 0.934,511 1.064,512 1.049,513 0.962,514 1.097,515 1.051,516 1.1,517 1.024,518 1.135,519 1.059,520 1.036,521 0.994,522 0.995,523 0.942,524 1.105,525 0.951,526 1.119,527 1.079,528 1.082,529 1.056,530 1.05,531 1.045,532 1.413,533 0.825,534 1.092,535 0.827,536 1.323,537 0.86,538 1.058,539 0.924,540 0.878,541 0.982,542 1.02,543 0.906,544 4.5,545 0.091,546 2.889,547 1.813,548 1.52,549 0.757,550 0.304,551 0.293,552 0.259,553 0.122,554 5545,555 17757,556 2.041,557 36.1,559 8,561 1,562 1,563 3,567 1.656,568 1.89,569 3.232,570 -0.326,571 1,572 1,574 1,575 54.953,576 1.526,577 3.468,578 4.184,579 4.85,580 5.038,581 5.038,582 2.653,583 4.263,584 4.499,585 3.373,586 853.277,587 7.739,588 9704.42,589 1,590 1,591 1,592 1,593 186.117,594 1.478,595 4.443,596 0.18,597 0.009,598 0.083,599 0.049,600 0.049,601 0.03,602 0.014,603 0.014,604 0.012,605 0.007,606 0.447,607 0.5,608 1,609 0.832,610 107.515,611 -0.067,612 -0.021,613 0.012,614 0.024,615 -0.108,616 0.034,617 0.107,618 -0.076,619 0.088,620 -0.051,621 0.034,622 0.001,623 -0.152,624 -0.156,625 -0.042,626 -0.123,627 -0.098,628 -0.068,629 0.147,630 -0.041,631 -0.121,632 -0.089,633 0.078,634 -0.165,635 -0.073,636 0.009,637 0.023,638 0.025,639 -0.068,640 0.042,641 -0.157,642 -0.06,643 -0.109,644 -0.108,645 -0.096,646 -0.09,647 -0.251,648 0.148,649 -0.063,650 0.146,651 -0.217,652 0.108,653 -0.092,654 0.016,655 0.083,656 0.004,657 -0.067,658 0.074,659 2.153,660 5.38,661 0.696,662 16.654,663 1.02,664 1.106,665 2.24,666 5.016,667 0.705,668 3.258,669 3.584,670 3.85,671 4.078,672 4.29,673 4.29,674 4.317,675 4.369,676 4.466,677 4.419,678 5.712,679 0.696,680 307.32,681 3.258,682 4.796,683 5.645,684 6.521,685 7.387,686 8.266,687 9.138,688 10.019,689 10.894,690 11.777,691 2.8,700 1,709 8,714 4,716 12,721 2,735 1,738 36,739 16,740 2,741 25,743 38,744 18,745 12,746 4,747 8,748 5,752 3,753 4,759 1,768 17,769 1,772 4,778 2,780 1,781 1,782 4,785 1,786 1,789 13,790 5,791 1,792 5,797 1,803 0.667,804 4,823 3,827 1,834 1,846 1,853 1,855 2,859 1,862 23,868 1,872 1,886 11.1,888 1,889 2,891 1,893 12.167,894 6.9,895 5.056,896 2.035,898 3.411,899 1.489,900 0.961,901 3.983,902 10.382,903 3.584,904 4.174,905 4.754,906 5.286,907 5.787,908 6.004,909 6.345,910 6.653,911 7.024,912 7.264,913 1,914 37,915 8.502,917 3.693,918 8.101,919 15.544,921 12.467,924 2.601,925 59.833,929 141.253,930 122.526,931 16.786,933 103.973,936 122.526,937 245.226,938 16.786,939 8.825,941 75.81,942 124.059,943 46.362,945 129.482,947 141.253,948 139.312,949 103.973,952 141.253,953 103.973,956 25.611,957 104.654,958 9.047,960 141.253,961 120.759,962 122.526,965 141.253,966 28.844,967 93.683,969 120.759,970 141.253,971 120.759,972 122.526,973 0.585,974 0.347,975 0.183,976 0.098,977 17,978 8,979 0.079,980 3,981 1,982 1.125,983 3.484,984 181.595,985 0.125,986 16,987 104.042,993 15.042,994 6.091,995 3.018,997 120.759,998 13.345,1003 1.703,1005 42.683,1006 384.538,1007 35,1013 23.75,1015 1.243,1016 4.151,1017 -0.956,1020 36.713,1021 39.827,1022 0.295,1023 0.671,1024 0.809,1025 0.938,1026 0.974,1027 0.974,1028 4.812,1029 1.126,1030 5.638,1031 3.05,1032 4.263,1033 4.86,1034 2.072,1035 6.454,1036 4.254,1037 6.037,1038 1,1039 7.207,1040 2.856,1041 3.892,1042 4.635,1044 7.38,1045 3.904,1046 7.35,1047 0.825,1048 8.878,1049 2.324,1050 5.861,1051 7.039,1052 2.394,1053 10.478,1054 5.846,1055 8.699,1056 0.049,1057 10.608,1058 1.98,1059 6.293,1060 7.605,1062 12.216,1063 6.305,1064 10.078,1065 -0.13,1066 12.375,1067 0.126,1068 7.752,1069 9.484,1070 2.789,1071 14.847,1072 7.741,1073 11.48,1074 -0.647,1075 14.168,1076 -0.315,1077 8.555,1078 10.431,1080 16.929,1081 8.567,1082 12.898,1083 -0.793,1084 15.979,1085 -1.533,1086 9.812,1087 12.07,1088 3.211,1089 19.401,1090 9.809,1091 3.187,1092 -0.825,1093 17.804,1094 -1.917,1095 10.792,1096 13.218,1098 21.641,1099 10.803,1100 2.816,1101 10.914,1102 19.64,1103 -2,1104 11.969,1105 14.738,1106 3.646,1107 24.057,1108 11.974,1109 2.488,1110 8.471,1111 21.485,1112 4.123,1113 13.033,1114 15.996,1116 26.372,1117 13.046,1118 2.258,1119 8.118,1120 23.338,1121 3.813,1122 14.182,1123 17.456,1124 4.09,1125 28.769,1126 14.192,1127 2.029,1128 6.506,1129 25.197,1130 3.43,1131 15.287,1132 18.775,1134 31.121,1135 15.301,1136 1.457,1137 6.005,1138 27.062,1139 2.975,1140 16.429,1141 20.204,1142 4.54,1143 33.511,1144 16.442,1145 1.385,1146 3.206,1147 28.932,1148 2.5,1149 17.555,1150 21.558,1152 35.881,1153 17.569,1154 5424,1155 9823,1156 16.414,1157 25.392,1158 38.43,1159 39.501,1160 38.998,1161 37.28,1162 37.244,1163 50.554,1164 6.187,1165 107.109,1166 37.136,1167 5.392,1168 5.706,1169 6.427,1170 5.229,1171 5.187,1172 7.123,1173 2.555,1174 18.424,1175 5.187,1176 11.88,1177 1.537,1178 1.58,1179 1.56,1180 1.491,1181 1.49,1182 2.022,1183 0.247,1184 4.284,1185 1.485,1186 4.008,1187 4.02,1188 3.973,1189 3.92,1190 7.43,1191 3.929,1192 3.917,1193 3.936,1194 3.868,1195 3.848,1196 7.426,1197 3.85,1198 3.578,1199 3.602,1200 3.522,1201 3.458,1202 6.473,1203 3.472,1204 3.411,1205 3.449,1206 3.311,1207 3.235,1208 4.863,1209 3.244,1210 3.07,1211 3.122,1212 2.985,1213 2.889,1214 4.778,1215 2.903,1216 3.002,1217 3.007,1218 2.942,1219 2.788,1220 4.403,1221 2.806,1222 2.782,1223 2.854,1224 2.657,1225 2.651,1226 4.204,1227 2.64,1228 2.753,1229 2.797,1230 2.565,1231 2.594,1232 3.788,1233 2.579,1234 0.182,1235 0.148,1236 0.27,1237 0.167,1238 0.127,1239 4.545,1240 0.165,1241 3.706,1242 0.051,1243 6.746,1244 0.437,1245 4.187,1246 0.127,1247 3.187,1248 4.123,1249 1.277,1250 10.914,1251 3.187,1252 1.946,1253 1.933,1254 2.03,1255 2.051,1256 1.113,1257 2.041,1258 1.903,1259 1.884,1260 2.002,1261 1.993,1262 1.09,1263 1.996,1264 1.529,1265 1.509,1266 1.674,1267 1.687,1268 0.702,1269 1.678,1270 1.373,1271 1.328,1272 1.597,1273 1.581,1274 0.647,1275 1.592,1276 1.008,1277 0.96,1278 1.186,1279 1.237,1280 0.214,1281 1.218,1282 0.911,1283 0.878,1284 1.148,1285 1.157,1286 0.188,1287 1.132,1288 0.805,1289 0.736,1290 1.094,1291 1.003,1292 0.159,1293 1.04,1294 0.725,1295 0.681,1296 0.961,1297 0.962,1298 0.061,1299 0.947,1300 3.932,1302 5.252,1304 6.779,1306 8.402,1308 10.075,1310 1.465,1314 9.898,1318 5.234,1326 25.041,1327 54.953,1328 124.833,1329 150.608,1330 174.608,1331 181.362,1332 181.362,1333 47.73,1334 6.971,1335 79.87,1336 79.87,1337 18,1338 12.312,1339 4.087,1340 3.459,1341 36.903,1342 79,1343 69,1344 0.23,1345 154.758,1346 280.84,1347 369.369,1348 9519,1350 16.397,1351 0.713,1352 0.535,1353 16.397,1354 12.315,1355 11.059,1356 0.442,1357 0.278,1358 6.872,1359 10.666,1360 6.696,1361 5.564,1362 11.059,1363 6.959,1364 10.058,1365 0.287,1366 0.143,1367 10.058,1368 5.011,1369 8.398,1370 0.183,1371 0.074,1372 8.398,1373 3.409,1374 6.885,1375 0.119,1376 0.038,1377 6.885,1378 2.203,1379 5.437,1380 0.076,1381 0.02,1382 5.437,1383 1.452,1384 0.359,1385 69.354,1386 0.247,1387 22.503,1388 0.636,1389 120,1390 415.001,1391 132.46,1392 396.957,1393 531.6,1394 368,1395 141,1396 384.041,1397 153.131,1398 387.118,1399 564.8,1400 364,1401 5.553}
{0 CHEMBL1313626,1 1.785,2 6.389,3 1.446,4 2.09,5 72.872,6 9.702,7 0.278,8 3.553,9 3.594,10 3.66,11 3.251,12 4.655,13 3.114,14 4.107,15 4.223,16 3.986,17 3.625,18 5.515,19 3.463,20 4.243,21 4.321,22 4.163,23 3.718,24 5.702,25 3.57,26 4.42,27 4.535,28 4.057,29 3.666,30 5.846,31 3.569,32 4.163,33 4.242,34 3.883,35 3.582,36 5.689,37 3.436,38 4.332,39 4.478,40 3.533,41 3.413,42 6.029,43 3.254,44 4.016,45 4.17,46 2.82,47 2.978,48 5.389,49 2.86,50 4.001,51 4.277,52 1.844,53 2.569,54 5.142,55 2.383,56 0.124,57 0.453,58 7.55,59 4.464,60 24.181,61 3.92,62 0.498,63 0.737,64 22.191,65 8.213,66 80.884,67 7.008,68 0.433,69 0.856,70 30.715,71 10.099,72 66.56,73 7.388,74 0.803,75 0.891,76 27.536,77 9.28,78 151.716,79 7.133,80 0.441,81 0.778,82 22.055,83 8.354,84 92.805,85 7.238,86 0.98,87 0.805,88 31.016,89 9.129,90 170.119,91 8.194,92 0.548,93 0.547,94 18.255,95 5.695,96 78.423,97 4.88,98 0.744,99 0.464,100 18.862,101 4.72,102 116.151,103 4.818,104 78,105 27,106 0.339,107 0.64,108 0.777,109 0.777,110 0.777,111 0.777,112 2.962,113 1.488,114 -2.24,115 -2.28,116 -2.25,120 31.3,121 2,125 2,128 1,143 1,145 1,153 1,154 1,159 1,176 2,185 2,189 11,201 3,209 2,213 2,222 2,226 6,227 2,240 4,274 364,275 10.971,276 10.971,277 10.971,278 10.971,279 10.971,280 9.901,281 9.569,282 6.038,283 11.902,284 8.709,285 8.709,286 8.709,287 8.709,288 8.709,289 6.756,290 7.038,291 2.679,292 10.082,293 3.215,294 1.628,295 0.907,296 0.907,297 0.907,298 0.907,299 3.569,305 1,306 1,307 1,308 217,309 4.183,312 55.695,320 1.012,321 40.392,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 41,333 115,334 4.97,335 5.372,336 7.694,337 4.405,338 3.549,339 4.819,340 2.95,341 13.721,342 3.003,343 4.263,344 4.678,345 6.342,346 3.764,347 2.874,348 3.862,349 2.95,350 9.387,351 2.57,352 3.832,353 3.649,354 5.874,355 3.373,356 2.492,357 3.133,358 1.674,359 7.832,360 2.131,361 3.135,362 3.073,363 5.043,364 2.635,365 1.73,366 2.255,368 4.671,369 1.526,370 2.619,371 2.391,372 4.179,373 2.283,374 1.366,375 1.61,377 3.357,378 1.236,379 2.401,380 1.877,381 3.763,382 1.866,383 0.944,384 1.269,386 2.371,387 0.851,388 2.253,389 1.461,390 3.517,391 1.582,392 0.728,393 1.073,395 1.976,396 0.603,397 1.466,398 0.914,399 2.668,400 1.084,401 0.155,402 0.187,404 0.207,405 0.139,406 1,407 0.342,408 2.469,410 -1,411 -1,413 -2,414 -0.756,415 0.535,416 0.048,417 2,419 -1,420 -1.157,422 -2,423 -0.858,424 0.311,425 -0.228,426 2,427 -0.125,428 -1,429 -1.452,431 -2.81,432 -1,433 0.243,434 -0.356,435 1.815,436 -0.14,437 -1,438 -1.551,440 -3,441 -1,443 -0.55,444 1.663,445 -0.23,446 -1.149,447 -1.752,449 -3.264,450 -1.064,451 -0.165,452 -1,453 1.297,454 -0.568,455 -1.435,456 -1.78,458 -4.109,459 -1.246,460 -0.282,461 -1,462 1.22,463 -0.715,464 -1.544,465 -2,467 -5.62,468 -1.264,469 9.167,470 0.509,471 0.788,472 0.044,473 20.5,474 1.139,475 10,476 0.556,477 10.5,478 0.583,479 16.445,480 0.914,481 21.433,482 0.67,483 15.053,484 0.836,485 3.501,486 0.194,487 4.712,488 0.262,489 0.364,490 0.091,491 0.364,496 0.507,497 1.208,498 0.85,499 1.188,500 0.642,501 1.005,502 0.712,503 0.784,504 0.895,505 0.833,506 0.575,507 0.683,508 1.059,509 1.264,510 1.158,511 1.301,512 1.116,513 1.04,514 1.537,515 0.91,516 1.027,517 0.956,518 1.761,519 0.867,520 0.603,521 1.538,522 1.293,523 1.578,524 0.69,525 1.416,526 0.786,527 1.165,528 1.317,529 1.249,530 0.791,531 1.233,532 1.643,533 1.191,534 1.238,535 1.089,536 1.385,537 1.35,538 1.694,539 0.319,540 0.641,541 0.226,542 1.499,543 0.702,544 6,546 3.556,547 1.625,548 1.79,549 1.018,550 0.327,551 0.062,554 1899,555 8814,556 1.748,557 43.8,559 8,564 6,567 1.598,568 1.532,569 2.69,570 -0.545,572 1,574 1,575 57.113,576 1.785,577 3.372,578 4.093,579 4.093,580 4.093,581 4.093,582 2.105,583 3.684,584 4.139,585 2.798,586 428.046,587 7.08,588 4028.7,589 1,590 1,592 1,593 160,594 1.711,595 3.989,596 0.333,598 0.132,599 0.056,600 0.066,601 0.044,602 0.018,603 0.007,606 0.657,607 0.33,608 1,609 1.535,610 74.241,611 0.087,612 -0.046,613 0.188,614 -0.014,615 -0.115,616 0.031,617 0.129,618 0.288,619 0.186,620 0.287,621 0.178,622 0.339,623 -0.127,624 -0.147,625 0.031,626 -0.081,627 -0.067,628 -0.029,629 -0.32,630 0.077,631 -0.041,632 0.035,633 -0.387,634 0.048,635 0.188,636 -0.447,637 -0.209,638 -0.436,639 0.152,640 -0.409,641 0.318,642 -0.204,643 -0.291,644 -0.254,645 0.317,646 -0.281,647 -0.436,648 -0.316,649 -0.445,650 -0.295,651 -0.261,652 -0.484,653 -0.423,654 0.383,655 0.005,656 0.331,657 -0.344,658 0.16,659 4.481,660 5.102,661 0.278,662 11.444,663 1.033,664 1.116,665 1.01,666 1.021,667 0.705,668 2.944,669 3.332,670 3.555,671 3.664,672 3.829,673 3.892,674 3.555,675 2.996,676 1.946,678 4.131,679 0.651,680 310.45,681 2.944,682 4.511,683 5.361,684 6.263,685 7.155,686 8.062,687 8.966,688 9.875,689 10.781,690 11.691,709 1,713 1,714 3,716 5,726 1,738 32,739 9,741 18,743 32,744 10,745 4,748 1,752 1,753 1,759 2,766 1,768 5,769 5,772 4,776 1,778 4,782 1,783 1,785 1,786 1,789 14,790 5,792 8,793 3,803 1,804 5,822 1,855 1,857 3,859 4,862 18,864 1,865 1,872 1,874 1,880 1,886 15.6,889 4,891 1,893 11.75,894 7,895 4,896 1.681,898 1.339,899 1.236,900 0.904,901 4.953,902 7.002,903 3.239,904 3.876,905 4.368,906 4.8,907 5.209,908 5.549,909 5.288,910 4.933,911 3.641,913 1,914 29,915 6.972,917 3.242,918 8.471,919 12.234,921 9.934,924 2.971,925 53.472,929 164.795,930 111.757,933 102.614,935 56.456,936 55.301,937 267.41,939 35.724,941 34.655,942 98.806,943 12.551,944 1.358,945 196.073,947 164.795,948 55.301,949 102.614,950 56.456,952 94.169,953 173.241,956 17.65,957 37.65,958 6.046,959 50.41,960 164.795,961 102.614,962 111.757,964 6.046,965 183.928,966 41.378,967 45.2,969 102.614,970 164.795,971 102.614,972 111.757,973 0.607,974 0.364,975 0.155,976 0.091,977 12,978 8,979 0.156,980 5,982 1,983 2.67,984 123.7,986 5,987 71.059,989 1,991 1,992 1,993 15.641,994 5.699,995 3.14,997 102.614,998 1.239,1002 0.891,1003 0.287,1006 379.167,1007 24.5,1011 -3.564,1013 47.161,1017 -0.628,1018 -1.47,1020 33.051,1021 35.713,1022 0.357,1023 0.674,1024 0.819,1025 0.819,1026 0.819,1027 0.819,1028 4.514,1029 0.155,1030 5.468,1031 1.976,1032 4.007,1033 4.559,1034 3.724,1035 6.415,1036 3.731,1037 5.814,1038 -1,1039 7.154,1040 0.207,1041 4.111,1042 4.966,1044 7.888,1045 3.677,1046 7.22,1047 -1,1048 8.957,1049 -2,1050 5.814,1051 6.973,1052 5.767,1053 10.947,1054 5.228,1055 8.672,1056 -1,1057 10.827,1058 -2,1059 6.661,1060 8.14,1062 13.176,1063 5.9,1064 10.16,1065 -1,1066 12.74,1067 -2.81,1068 8.009,1069 9.794,1070 7.894,1071 15.903,1072 7.099,1073 11.672,1074 -1.149,1075 14.681,1076 -3,1077 9.11,1078 11.212,1080 18.384,1081 8.021,1082 13.202,1083 -1.435,1084 16.643,1085 -3.264,1086 10.372,1087 12.784,1088 10.046,1089 21.029,1090 9.127,1091 3.549,1092 -1.544,1093 18.621,1094 -4.109,1095 11.565,1096 14.29,1098 23.598,1099 10.141,1100 2.874,1101 13.721,1102 20.612,1103 -5.62,1104 12.812,1105 15.847,1106 12.206,1107 26.222,1108 11.225,1109 2.492,1110 9.387,1111 22.613,1112 4.819,1113 14.042,1114 17.387,1116 28.822,1117 12.278,1118 1.73,1119 7.832,1120 24.621,1121 3.862,1122 15.29,1123 18.945,1124 14.369,1125 31.441,1126 13.358,1127 1.366,1128 4.671,1129 26.636,1130 3.133,1131 16.536,1132 20.5,1134 34.053,1135 14.429,1136 0.944,1137 3.357,1138 28.656,1139 2.255,1140 17.79,1141 22.062,1142 16.532,1143 36.671,1144 15.512,1145 0.728,1146 2.371,1147 30.679,1148 1.61,1149 19.044,1150 23.624,1152 39.287,1153 16.593,1154 2200,1155 4857,1156 10.057,1157 22.545,1158 28.102,1159 32.68,1160 30.822,1161 27.764,1162 27.675,1163 36.415,1164 15.149,1165 87.047,1166 24.119,1167 5.748,1168 7.212,1169 7.238,1170 5.578,1171 5.494,1172 7.511,1173 5.9,1174 21.895,1175 4.868,1176 13.627,1177 1.561,1178 1.816,1179 1.712,1180 1.542,1181 1.537,1182 2.023,1183 0.842,1184 4.836,1185 1.34,1186 4.116,1187 4.068,1188 4.788,1189 4.187,1190 7.714,1191 4.052,1192 3.732,1193 3.719,1194 4.388,1195 3.759,1196 7.433,1197 3.626,1198 3.482,1199 3.476,1200 3.893,1201 3.408,1202 7.397,1203 3.306,1204 3.307,1205 3.349,1206 3.255,1207 3.099,1208 6.999,1209 3.076,1210 3.142,1211 3.166,1212 3.134,1213 2.944,1214 4.564,1215 2.897,1216 2.874,1217 3.009,1218 2.677,1219 2.618,1220 4.38,1221 2.57,1222 2.798,1223 2.816,1224 2.499,1225 2.542,1226 4.098,1227 2.54,1228 2.498,1229 2.53,1230 2.491,1231 2.289,1232 3.701,1233 2.229,1234 0.276,1235 0.298,1236 0.427,1237 0.245,1238 0.197,1239 4.97,1240 0.268,1241 5.372,1242 0.164,1243 7.694,1244 0.762,1245 4.405,1246 0.167,1247 3.549,1248 4.819,1249 2.95,1250 13.721,1251 3.003,1252 1.89,1253 1.931,1254 1.896,1255 1.947,1256 1.303,1257 2.022,1258 1.54,1259 1.571,1260 1.638,1261 1.706,1262 0.916,1263 1.697,1264 1.498,1265 1.478,1266 1.576,1267 1.607,1268 0.734,1269 1.685,1270 1.227,1271 1.187,1272 1.49,1273 1.458,1274 0.584,1275 1.51,1276 1.101,1277 1.042,1278 1.417,1279 1.291,1280 0.489,1281 1.343,1282 0.934,1283 0.804,1284 1.075,1285 1.239,1286 0.469,1287 1.308,1288 0.761,1289 0.76,1290 0.687,1291 0.955,1292 0.058,1293 0.998,1294 0.483,1295 0.482,1296 0.516,1297 0.783,1299 0.779,1300 3.611,1302 4.977,1303 2.398,1304 6.529,1305 4.727,1306 8.164,1307 6.88,1308 9.845,1310 5.661,1318 4.535,1320 -0.639,1326 20.823,1327 57.113,1328 107.894,1329 130.98,1330 130.98,1331 130.98,1332 130.98,1333 74.824,1334 5.663,1335 77.51,1336 133.34,1337 5,1338 12.207,1339 3.322,1340 2.907,1341 41.213,1342 43,1343 47,1344 0.505,1345 143.892,1346 249.86,1347 342.857,1348 1283,1350 14.085,1351 0.783,1352 0.715,1353 14.978,1354 12.87,1355 8.212,1356 0.456,1357 0.496,1358 5.257,1359 6.001,1360 4.603,1361 3.9,1362 10.153,1363 8.93,1364 8.107,1365 0.3,1366 0.33,1367 11.003,1368 8.902,1369 6.397,1370 0.188,1371 0.214,1372 9.553,1373 7.281,1374 3.929,1375 0.103,1376 0.139,1377 6.662,1378 5.266,1379 3.066,1380 0.068,1381 0.095,1382 5.881,1383 4.254,1384 0.733,1385 71.954,1386 0.315,1387 17.415,1388 1.581,1389 90,1390 381.259,1391 197.222,1392 413.906,1393 529.23,1394 374,1395 106,1396 301.055,1397 217.83,1398 376.03,1399 540.43,1400 344,1401 4.028}
{0 CHEMBL1313802,1 1.987,2 11.174,3 1.743,4 3.039,5 87.657,6 9.873,7 0.458,8 3.712,9 3.787,10 3.697,11 3.328,12 4.97,13 3.276,14 4.201,15 4.297,16 3.977,17 3.691,18 5.877,19 3.627,20 4.411,21 4.559,22 3.965,23 3.71,24 5.778,25 3.64,26 4.42,27 4.587,28 3.678,29 3.57,30 5.833,31 3.516,32 4.317,33 4.537,34 3.409,35 3.411,36 5.544,37 3.304,38 4.086,39 4.277,40 3.449,41 3.302,42 5.623,43 3.202,44 4.019,45 4.181,46 3.39,47 3.247,48 5.351,49 3.172,50 3.998,51 4.163,52 3.354,53 3.209,54 5.416,55 3.115,56 0.221,57 0.575,58 6.59,59 3.644,60 36.912,61 3.241,62 0.524,63 0.859,64 11.967,65 6.224,66 106.2,67 6.045,68 0.569,69 0.983,70 21.85,71 8.078,72 94.044,73 7.629,74 0.689,75 0.912,76 18.674,77 7.236,78 119.965,79 7.06,80 0.7,81 0.807,82 20.125,83 6.695,84 119.495,85 7.281,86 0.555,87 0.673,88 17.697,89 5.898,90 99.494,91 6.498,92 0.499,93 0.621,94 13.914,95 4.973,96 99.208,97 4.594,98 0.581,99 0.606,100 15.334,101 5.063,102 100.246,103 4.379,104 41,105 34,106 0.357,107 0.69,108 0.781,109 0.838,110 0.838,111 0.838,112 3.186,113 1.097,114 -2.34,115 -2.37,116 -2.33,120 36.1,122 1,126 1,143 6,144 1,145 1,153 1,154 1,159 1,164 1,165 1,166 1,167 2,174 6,176 2,177 2,179 2,180 3,182 1,185 8,189 11,194 5,197 4,199 2,201 8,206 5,211 2,213 1,214 3,217 1,219 3,222 2,224 1,226 2,227 4,230 2,232 1,235 3,237 1,240 3,247 5,252 3,255 2,256 1,259 1,260 6,264 4,271 2,274 714,275 14.61,276 14.61,277 14.61,278 14.61,279 14.61,280 12.595,281 15.609,282 8.44,283 15.029,284 11.803,285 11.803,286 11.803,287 11.803,288 11.803,289 8.654,290 12.683,291 3.971,292 12.503,293 3.183,294 1.327,295 0.82,296 0.5,297 0.5,298 0.5,299 3.84,305 1,306 1,307 1,308 525,309 4.123,312 76.645,313 87.856,320 1.762,321 42.76,323 1,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 52.5,333 257,334 4.801,335 4.661,336 7.111,337 4.229,338 3.313,339 4.66,340 2.612,341 11.657,342 3.002,343 4.357,344 3.786,345 6.163,346 3.858,347 2.937,348 4.059,349 1.058,350 9.066,351 2.706,352 3.942,353 3.549,354 5.756,355 3.508,356 2.528,357 3.43,359 7.58,360 2.487,361 3.88,362 2.709,363 5.354,364 3.441,365 2.463,366 3.375,368 7.005,369 2.369,370 3.197,371 2.326,372 4.587,373 2.69,374 1.714,375 2.392,377 4.726,378 1.672,379 3.108,380 1.767,381 4.277,382 2.552,383 1.574,384 2.313,386 4.022,387 1.523,388 2.502,389 1.458,390 3.611,391 2.086,392 1.117,393 1.5,395 2.585,396 1.075,397 2.5,398 1.427,399 3.414,400 2,401 1,402 1.442,404 2.275,405 1,406 2.196,407 1,408 3.258,409 1.719,410 0.736,411 1.044,413 1.779,414 0.709,415 2.119,416 1,417 3.237,418 1.511,419 0.64,420 0.926,422 1.571,423 0.54,424 1.23,425 0.706,426 2.771,427 0.916,428 -0.071,429 -0.086,431 -0.166,432 -0.069,433 1,434 0.59,435 2.413,436 0.328,437 -0.657,438 -0.814,440 -1.497,441 -0.631,442 1,443 0.099,444 2,446 -1,447 -1.217,449 -2,450 -1,451 0.703,452 -0.437,453 2,455 -1,456 -1.489,458 -3,459 -1,460 0.5,461 -0.804,462 2,464 -1,465 -1.5,467 -3,468 -1,469 11.033,470 0.48,471 0.816,472 0.035,473 31.5,474 1.37,475 17.5,476 0.761,477 14,478 0.609,479 15.801,480 0.687,481 25.567,482 0.71,483 23.081,484 1.004,485 6.038,486 0.263,487 4.732,488 0.206,489 0.187,490 0.076,491 0.263,496 0.444,497 1.041,498 0.78,499 1.02,500 0.643,501 0.82,502 0.454,503 1.039,504 0.888,505 1.013,506 0.42,507 0.977,508 0.85,509 1.237,510 1.042,511 1.262,512 0.804,513 1.138,514 1.144,515 1.163,516 0.973,517 1.014,518 1.074,519 1.179,520 0.952,521 0.797,522 0.881,523 0.77,524 0.943,525 1.004,526 0.435,527 0.947,528 0.975,529 1.034,530 0.39,531 1.015,532 1.233,533 0.928,534 1.073,535 0.925,536 1.201,537 1.017,538 1.289,539 0.66,540 1.266,541 0.845,542 1.313,543 0.941,544 6.5,545 0.145,546 3.333,547 1.375,548 1.042,549 0.747,550 0.402,551 0.215,552 0.153,553 0.221,554 5923,555 27244,556 1.912,557 36.1,559 8,562 3,564 2,567 1.648,568 1.736,569 3.43,570 1.204,571 1,572 1,574 1,575 71.541,576 1.987,577 3.843,578 4.35,579 4.67,580 4.67,581 4.67,582 2.856,583 3.882,584 4.497,585 3.648,586 922.841,587 7.694,588 11241.5,589 1,590 1,592 1,593 186.117,594 1.731,595 4.407,596 0.271,597 0.009,598 0.098,599 0.044,600 0.04,601 0.039,602 0.02,603 0.012,604 0.009,605 0.015,606 0.557,607 0.33,608 1,609 1.009,610 111.011,611 0.141,612 0.167,613 0.149,614 0.073,615 -0.104,616 0.094,617 0.282,618 0.043,619 0.009,620 0.012,621 0.304,622 -0.034,623 -0.056,624 -0.249,625 -0.027,626 -0.222,627 -0.034,628 -0.115,629 -0.216,630 -0.259,631 -0.158,632 -0.175,633 -0.153,634 -0.211,635 -0.086,636 0.075,637 -0.005,638 0.063,639 -0.127,640 0.039,641 0.346,642 -0.006,643 0.043,644 -0.048,645 0.341,646 0.057,647 -0.276,648 0.008,649 -0.133,650 0.02,651 -0.228,652 -0.027,653 -0.239,654 0.316,655 -0.22,656 0.162,657 -0.266,658 0.039,659 4.634,660 4.837,661 0.478,662 20.749,663 1.042,664 1.124,665 1.11,666 1.232,667 0.705,668 3.219,669 3.555,670 3.689,671 3.784,672 3.871,673 3.951,674 3.761,675 3.555,676 3.638,677 3.85,678 6.808,679 0.685,680 355.43,681 3.219,682 4.762,683 5.572,684 6.435,685 7.265,686 8.125,687 8.961,688 9.821,689 10.659,690 11.518,691 8.3,695 1,698 1,702 1,709 6,713 1,714 4,716 11,723 1,731 1,738 36,739 16,740 1,741 24,743 37,744 13,745 10,746 2,747 4,748 1,752 2,753 2,766 1,768 11,769 2,772 5,775 1,776 1,778 5,782 1,785 1,786 1,789 13,790 7,791 3,792 10,793 2,797 3,803 1,804 5,822 1,823 1,855 2,857 2,862 23,863 1,866 1,869 2,871 1,880 1,886 13.9,889 3,892 2,893 13.25,894 6.2,895 4.972,896 1.853,898 2.229,899 1.347,900 0.965,901 5.466,902 8.657,903 3.57,904 4.201,905 4.606,906 5.04,907 5.388,908 5.673,909 5.515,910 5.069,911 5.318,912 5.859,913 1,914 31,915 8.696,917 3.971,918 8.525,919 15.261,921 12.332,924 3.025,925 69.583,929 117.711,930 110.312,931 54.972,933 120.205,935 37.085,936 73.227,937 237.916,938 54.972,939 5.67,940 22.651,941 93.956,942 74.163,943 5.666,944 1.358,945 148.989,946 50.747,947 117.711,948 128.199,949 120.205,950 37.085,952 94.169,953 93,954 50.747,956 23.581,957 98.948,958 11.477,959 31.278,960 117.711,961 175.177,962 110.312,964 5.807,965 117.711,966 47.647,967 62.528,968 18.011,969 151.496,970 117.711,971 175.177,972 110.312,973 0.596,974 0.322,975 0.142,976 0.072,977 15,978 8,979 0.162,980 6,982 1,983 3.516,984 164.948,986 11,987 96.042,989 1,992 1,993 17.534,994 7.17,995 4.826,997 169.507,998 8.707,1002 0.808,1003 1.029,1005 49.302,1006 403.2,1007 34.5,1010 -0.547,1011 -3.718,1013 55.227,1017 -0.385,1020 37.513,1021 40.458,1022 0.384,1023 0.743,1024 0.841,1025 0.903,1026 0.903,1027 0.903,1028 4.802,1029 1,1030 5.617,1031 2.585,1032 4.234,1033 4.887,1034 2.67,1035 6.435,1036 4.121,1037 6.066,1038 0.736,1039 7.206,1040 2.275,1041 4.111,1042 5.094,1043 2.361,1044 7.639,1045 3.905,1046 7.43,1047 0.64,1048 8.909,1049 1.779,1050 5.911,1051 7.222,1052 4.193,1053 10.562,1054 5.648,1055 8.835,1056 -0.071,1057 10.679,1058 1.571,1059 6.553,1060 8.207,1061 4.506,1062 12.55,1063 6.165,1064 10.272,1065 -0.657,1066 12.493,1067 -0.166,1068 7.92,1069 9.904,1070 5.955,1071 15.104,1072 7.477,1073 11.732,1074 -1,1075 14.337,1076 -1.497,1077 8.864,1078 11.191,1079 6.556,1080 17.375,1081 8.288,1082 13.209,1083 -1,1084 16.203,1085 -2,1086 10.091,1087 12.757,1088 7.796,1089 19.839,1090 9.447,1091 3.313,1092 -1,1093 18.085,1094 -3,1095 11.162,1096 14.171,1097 8.548,1098 22.217,1099 10.389,1100 2.937,1101 11.657,1102 19.981,1103 -3,1104 12.345,1105 15.699,1106 9.67,1107 24.663,1108 11.489,1109 2.528,1110 9.066,1111 21.887,1112 4.66,1113 13.473,1114 17.17,1115 10.509,1116 27.084,1117 12.495,1118 2.463,1119 7.58,1120 23.802,1121 4.059,1122 14.646,1123 18.688,1124 11.563,1125 29.529,1126 13.575,1127 1.714,1128 7.005,1129 25.724,1130 3.43,1131 15.801,1132 20.187,1133 12.452,1134 31.968,1135 14.614,1136 1.574,1137 4.726,1138 27.652,1139 3.375,1140 16.975,1141 21.706,1142 13.468,1143 34.416,1144 15.688,1145 1.117,1146 4.022,1147 29.586,1148 2.392,1149 18.145,1150 23.219,1151 14.386,1152 36.863,1153 16.747,1154 6024,1155 13086,1156 14.909,1157 25.392,1158 36.453,1159 38.729,1160 36.867,1161 36.019,1162 36.047,1163 50.28,1164 7.342,1165 104.532,1166 34.168,1167 5.701,1168 6.661,1169 6.658,1170 5.336,1171 5.313,1172 7.66,1173 4.612,1174 18.533,1175 5.002,1176 15.207,1177 1.519,1178 1.614,1179 1.536,1180 1.501,1181 1.502,1182 2.095,1183 0.306,1184 4.355,1185 1.424,1186 4.07,1187 4.056,1188 4.728,1189 4.059,1190 7.815,1191 3.977,1192 3.97,1193 3.971,1194 4.285,1195 3.937,1196 7.726,1197 3.871,1198 3.715,1199 3.726,1200 3.758,1201 3.627,1202 7.429,1203 3.553,1204 3.534,1205 3.552,1206 3.537,1207 3.246,1208 6.999,1209 3.266,1210 3.334,1211 3.375,1212 3.309,1213 2.982,1214 6.999,1215 3.055,1216 3.005,1217 3.043,1218 2.931,1219 2.735,1220 4.831,1221 2.762,1222 2.854,1223 2.925,1224 2.687,1225 2.701,1226 4.668,1227 2.715,1228 2.603,1229 2.695,1230 2.682,1231 2.412,1232 4.56,1233 2.394,1234 0.2,1235 0.194,1236 0.296,1237 0.176,1238 0.138,1239 4.801,1240 0.194,1241 4.661,1242 0.109,1243 7.111,1244 0.486,1245 4.229,1246 0.125,1247 3.313,1248 4.66,1249 2.612,1250 11.657,1251 3.002,1252 1.975,1253 1.976,1254 2.038,1255 2.043,1256 1.257,1257 2.078,1258 1.629,1259 1.616,1260 1.741,1261 1.916,1262 0.98,1263 1.832,1264 1.561,1265 1.543,1266 1.651,1267 1.816,1268 0.728,1269 1.806,1270 1.486,1271 1.508,1272 1.372,1273 1.641,1274 0.614,1275 1.66,1276 1.263,1277 1.223,1278 1.246,1279 1.467,1280 0.462,1281 1.491,1282 0.886,1283 0.833,1284 1.181,1285 1.209,1286 0.218,1287 1.188,1288 0.869,1289 0.821,1290 1.088,1291 1.062,1292 0.129,1293 1.107,1294 0.65,1295 0.611,1296 0.871,1297 0.915,1299 0.947,1300 3.892,1302 5.22,1303 2.398,1304 6.713,1305 4.595,1306 8.274,1307 6.605,1308 9.871,1313 5.003,1315 0.809,1317 2.65,1326 24.646,1327 71.541,1328 138.343,1329 156.608,1330 168.117,1331 168.117,1332 168.117,1333 69.514,1334 6.428,1335 135.08,1336 171.7,1337 11,1338 12.074,1339 4.087,1340 3.524,1341 45.819,1342 96,1343 73,1344 0.235,1345 162.818,1346 282.43,1347 389.037,1348 4805,1350 17.035,1351 0.741,1352 0.582,1353 17.639,1354 13.394,1355 10.77,1356 0.449,1357 0.366,1358 6.507,1359 9.048,1360 6.2,1361 5.13,1362 12.072,1363 8.776,1364 10.569,1365 0.311,1366 0.212,1367 12.598,1368 7.214,1369 7.605,1370 0.195,1371 0.126,1372 9.305,1373 4.912,1374 5.456,1375 0.127,1376 0.071,1377 6.714,1378 3.053,1379 3.776,1380 0.08,1381 0.039,1382 4.68,1383 1.816,1384 0.383,1385 81.825,1386 0.259,1387 23.212,1388 0.605,1389 116,1390 475.689,1391 190.832,1392 492.838,1393 631.06,1394 444,1395 131,1396 401.762,1397 209.748,1398 450.027,1399 641.88,1400 417,1401 4.804}
{0 CHEMBL1313954,1 1.592,2 9.381,3 2.099,4 4.404,5 79.316,6 8.215,7 0.696,8 3.643,9 3.752,10 3.295,11 3.228,12 4.869,13 3.225,14 4.107,15 4.248,16 3.643,17 3.578,18 5.343,19 3.567,20 4.312,21 4.481,22 3.646,23 3.644,24 5.569,25 3.618,26 4.314,27 4.501,28 3.54,29 3.548,30 5.64,31 3.501,32 4.208,33 4.431,34 3.273,35 3.354,36 5.42,37 3.291,38 3.959,39 4.161,40 3.189,41 3.199,42 5.191,43 3.157,44 3.856,45 4.055,46 3.07,47 3.16,48 5.001,49 3.109,50 3.811,51 4.023,52 2.978,53 3.089,54 5.142,55 3.01,56 0.059,57 0.503,58 5.466,59 2.804,60 4.917,61 3.318,62 0.128,63 0.778,64 9.888,65 4.461,66 14.019,67 5.51,68 0.227,69 0.904,70 13.924,71 5.464,72 33.843,73 6.471,74 0.342,75 0.885,76 14.72,77 5.606,78 36.214,79 6.858,80 0.262,81 0.745,82 15.096,83 5.387,84 43.884,85 6.769,86 0.229,87 0.605,88 11.042,89 4.004,90 34.649,91 5.015,92 0.171,93 0.577,94 9.304,95 3.323,96 21.291,97 4.096,98 0.204,99 0.516,100 9.393,101 3.69,102 38.949,103 4.881,104 11,105 32,106 0.288,107 0.618,108 0.77,109 0.853,110 0.853,111 0.853,112 3.103,113 0.847,114 -3.21,115 -3.21,116 -3.08,120 47.1,121 1,143 7,144 2,145 1,146 1,152 1,153 1,158 1,159 1,167 1,174 6,177 7,180 1,182 3,185 7,189 5,194 2,197 5,200 2,201 6,204 2,206 2,209 5,214 3,219 1,222 2,227 6,230 1,232 2,235 3,240 4,247 4,251 1,252 4,260 6,271 3,274 540,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.021,281 9.948,282 8.303,283 14.217,284 11.333,285 11.333,286 11.333,287 11.333,288 11.333,289 8.13,290 12.533,291 3.909,292 11.465,293 3.496,294 1.675,295 0.835,296 0.375,297 0.375,298 0.375,299 3.782,305 1,306 1,307 1,308 424,309 3.082,312 45.552,313 123.626,316 85.468,320 1.447,321 21.838,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 197,334 4.58,335 3.61,336 6.682,337 4.117,338 3.14,339 4.512,340 1.277,341 10.765,342 3.068,343 4.17,344 3.543,345 5.932,346 3.797,347 2.787,348 3.762,349 1.058,350 8.249,351 2.818,352 3.842,353 2.897,354 5.681,355 3.471,356 2.488,357 3.21,359 7.563,360 2.43,361 3.573,362 2.545,363 5.248,364 3.151,365 2.154,366 2.935,368 6.463,369 2.139,370 3.047,371 1.889,372 4.434,373 2.532,374 1.547,375 2.319,377 4.089,378 1.522,379 2.959,380 1.756,381 3.949,382 2.458,383 1.456,384 2.106,386 3.376,387 1.45,388 2.748,389 1.545,390 3.743,391 2.261,392 1.227,393 1.753,395 2.893,396 1.26,397 2.516,398 1.115,399 3.548,400 2,401 1,402 1.5,404 2.459,405 1,406 2.5,407 1,408 3.414,409 1.973,410 1,411 1.487,413 2.275,414 0.967,415 1.96,416 0.635,417 3.076,418 1.451,419 0.473,420 0.686,422 1.137,423 0.461,424 1.29,425 0.509,426 2.628,427 0.895,428 -0.112,429 -0.147,431 -0.27,432 -0.112,433 0.705,434 0.289,435 2,436 0.198,437 -0.789,438 -1.03,440 -1.903,441 -0.774,442 0.648,443 -0.37,444 2,445 0.187,446 -0.843,447 -1.221,449 -2,450 -0.824,451 0.595,452 -0.752,453 2,454 0.097,455 -0.88,456 -1.306,458 -2.039,459 -0.89,460 0.5,461 -0.854,462 1.926,463 0.091,464 -1,465 -1.43,467 -2.143,468 -1,469 9.867,470 0.47,471 0.524,472 0.025,473 30.75,474 1.464,475 17.5,476 0.833,477 13.25,478 0.631,479 12.071,480 0.575,481 21.333,482 0.627,483 21.184,484 1.009,485 6.334,486 0.302,487 3.814,488 0.182,489 0.118,491 0.345,496 0.596,497 1.094,498 0.68,499 0.941,500 0.535,501 0.844,502 0.664,503 1.249,504 0.75,505 1.029,506 0.569,507 0.924,508 1.216,509 1.126,510 1.042,511 1.019,512 1.117,513 0.996,514 1.055,515 0.976,516 1.117,517 1.109,518 1.145,519 1.124,520 1.282,521 0.948,522 1.027,523 0.953,524 1.339,525 0.949,526 1.137,527 0.994,528 0.946,529 0.881,530 1.204,531 0.885,532 1.155,533 0.918,534 1.153,535 0.886,536 0.92,537 0.97,538 0.582,539 0.88,540 0.922,541 0.986,542 0.464,543 1.004,544 4,545 0.098,546 2.667,547 1.444,548 1.049,549 0.528,550 0.332,551 0.188,552 0.12,553 0.122,554 4514,555 13569,556 2.074,557 38.2,559 7,560 1,561 1,562 1,563 3,567 1.628,568 1.938,569 3.213,570 -0.291,572 1,574 1,575 54.113,576 1.592,577 3.413,578 4.252,579 4.712,580 4.712,581 4.712,582 2.701,583 4.107,584 4.365,585 3.356,586 704.726,587 7.456,588 7493.38,589 1,590 1,592 1,593 172.974,594 1.418,595 4.322,596 0.174,597 0.011,598 0.083,599 0.047,600 0.04,601 0.026,602 0.017,603 0.011,604 0.008,605 0.011,606 0.429,607 0.67,608 1,609 0.819,610 95.391,611 0.022,612 0.004,613 0.041,614 -0.004,615 -0.059,616 0.013,617 0.057,618 -0.188,619 0.058,620 -0.09,621 0.031,622 -0.033,623 -0.198,624 -0.11,625 -0.131,626 -0.076,627 -0.113,628 -0.085,629 0.061,630 0.022,631 -0.151,632 -0.167,633 -0.024,634 -0.198,635 -0.144,636 -0.04,637 0.037,638 0.039,639 -0.106,640 0.067,641 -0.044,642 -0.034,643 0.062,644 0.089,645 -0.082,646 0.088,647 -0.248,648 0.13,649 -0.212,650 0.044,651 -0.145,652 -0.041,653 0.236,654 0.056,655 0.062,656 0.013,657 0.351,658 0.018,659 1.897,660 5.277,661 0.714,662 15.293,663 1.011,664 1.117,665 1.985,666 3.94,667 0.698,668 3.178,669 3.497,670 3.761,671 3.989,672 4.143,673 4.159,674 4.205,675 4.263,676 4.159,677 4.248,678 5.566,679 0.68,680 279.32,681 3.178,682 4.71,683 5.557,684 6.428,685 7.292,686 8.168,687 9.038,688 9.915,689 10.789,690 11.668,691 8.8,698 1,699 1,701 1,708 1,709 9,710 1,714 3,716 16,721 1,723 1,738 34,739 18,740 1,741 23,743 36,744 16,745 13,746 2,747 4,748 2,752 3,753 4,759 1,768 15,769 1,772 2,778 2,782 2,785 1,786 1,789 13,790 4,791 1,792 5,797 3,803 0.667,804 2,814 1,816 1,822 1,823 2,826 1,855 2,859 1,862 21,871 1,886 5.9,889 2,893 10.833,894 6.483,895 4.611,896 1.925,898 3.156,899 1.469,900 1.005,901 3.445,902 9.892,903 3.526,904 4.155,905 4.774,906 5.37,907 5.851,908 6.095,909 6.41,910 6.734,911 6.677,912 7.085,913 1,914 31,915 7.727,917 3.294,918 7.952,919 14.391,921 11.564,924 2.452,925 51.5,929 141.253,930 114.364,931 35.838,933 50.29,936 114.364,937 191.543,938 35.838,939 8.825,940 18.011,941 75.381,942 88.562,943 19.339,944 13.915,945 117.711,947 141.253,948 150.202,949 50.29,952 141.253,953 50.29,956 37.047,957 96.491,958 16.663,960 141.253,961 86.128,962 114.364,965 141.253,966 21.11,967 94.418,968 18.011,969 66.953,970 141.253,971 86.128,972 114.364,973 0.584,974 0.342,975 0.179,976 0.092,977 16,978 7,979 0.083,980 3,981 1,982 1.133,983 3.376,984 158.526,985 0.133,986 15,987 88.239,993 13.376,994 5.408,995 2.654,996 0.746,997 84.964,998 15.656,999 4.13,1003 1.76,1005 18.011,1006 341.745,1007 33,1013 23.49,1017 -0.234,1020 34.378,1021 37.99,1022 0.313,1023 0.671,1024 0.836,1025 0.926,1026 0.926,1027 0.926,1028 4.736,1029 1,1030 5.541,1031 2.893,1032 4.174,1033 4.84,1034 1.872,1035 6.344,1036 4.153,1037 5.961,1038 1,1039 7.099,1040 2.459,1041 3.761,1042 4.663,1044 7.252,1045 3.746,1046 7.274,1047 0.473,1048 8.759,1049 2.275,1050 5.759,1051 7.097,1052 2.179,1053 10.335,1054 5.708,1055 8.626,1056 -0.112,1057 10.479,1058 1.137,1059 6.176,1060 7.782,1062 12.092,1063 6.127,1064 10.01,1065 -0.789,1066 12.237,1067 -0.27,1068 7.643,1069 9.671,1070 2.526,1071 14.69,1072 7.563,1073 11.418,1074 -0.843,1075 14.022,1076 -1.903,1077 8.435,1078 10.77,1080 16.794,1081 8.35,1082 12.845,1083 -0.88,1084 15.827,1085 -2,1086 9.69,1087 12.431,1088 2.909,1089 19.236,1090 9.579,1091 3.14,1092 -1,1093 17.646,1094 -2.039,1095 10.657,1096 13.735,1098 21.49,1099 10.533,1100 2.787,1101 10.765,1102 19.476,1103 -2.143,1104 11.827,1105 15.298,1106 3.321,1107 23.882,1108 11.679,1109 2.488,1110 8.249,1111 21.316,1112 4.512,1113 12.877,1114 16.703,1116 26.202,1117 12.711,1118 2.154,1119 7.563,1120 23.164,1121 3.762,1122 14.015,1123 18.226,1124 3.755,1125 28.58,1126 13.826,1127 1.547,1128 6.463,1129 25.018,1130 3.21,1131 15.105,1132 19.68,1134 30.929,1135 14.894,1136 1.456,1137 4.089,1138 26.878,1139 2.935,1140 16.233,1141 21.188,1142 4.206,1143 33.304,1144 15.999,1145 1.227,1146 3.376,1147 28.742,1148 2.319,1149 17.343,1150 22.667,1152 35.667,1153 17.085,1154 4398,1155 7722,1156 15.315,1157 23.733,1158 35.093,1159 36.112,1160 35.761,1161 34.509,1162 34.545,1163 48.542,1164 4.672,1165 98.537,1166 34.231,1167 5.416,1168 5.61,1169 6.364,1170 5.157,1171 5.14,1172 7.512,1173 2.555,1174 17.861,1175 5.068,1176 9.83,1177 1.526,1178 1.57,1179 1.555,1180 1.5,1181 1.502,1182 2.111,1183 0.203,1184 4.284,1185 1.488,1186 4.118,1187 4.165,1188 4.089,1189 3.973,1190 7.431,1191 3.994,1192 3.931,1193 3.958,1194 3.877,1195 3.855,1196 7.426,1197 3.857,1198 3.515,1199 3.548,1200 3.451,1201 3.353,1202 5.054,1203 3.368,1204 3.38,1205 3.423,1206 3.28,1207 3.227,1208 4.719,1209 3.233,1210 3.123,1211 3.188,1212 3.041,1213 2.835,1214 4.32,1215 2.878,1216 2.877,1217 2.948,1218 2.746,1219 2.735,1220 3.921,1221 2.72,1222 2.854,1223 2.925,1224 2.687,1225 2.723,1226 3.753,1227 2.715,1228 2.669,1229 2.716,1230 2.517,1231 2.47,1232 3.674,1233 2.479,1234 0.199,1235 0.157,1236 0.291,1237 0.179,1238 0.137,1239 4.58,1240 0.196,1241 3.61,1242 0.056,1243 6.682,1244 0.468,1245 4.117,1246 0.133,1247 3.14,1248 4.512,1249 1.277,1250 10.765,1251 3.068,1252 1.929,1253 1.903,1254 2.026,1255 2.061,1256 1.118,1257 2.046,1258 1.891,1259 1.858,1260 1.991,1261 2.008,1262 1.084,1263 2.007,1264 1.511,1265 1.478,1266 1.671,1267 1.718,1268 0.702,1269 1.691,1270 1.368,1271 1.321,1272 1.573,1273 1.576,1274 0.613,1275 1.584,1276 1.008,1277 0.934,1278 1.196,1279 1.313,1280 0.218,1281 1.285,1282 0.886,1283 0.821,1284 1.181,1285 1.082,1286 0.203,1287 1.107,1288 0.857,1289 0.789,1290 1.051,1291 1.062,1292 0.128,1293 1.085,1294 0.744,1295 0.674,1296 1.048,1297 0.944,1298 0.074,1299 0.985,1300 3.85,1302 5.165,1303 2.398,1304 6.673,1305 4.727,1306 8.265,1307 6.843,1308 9.9,1310 1.507,1317 2.799,1326 23.128,1327 54.113,1328 116.038,1329 144.567,1330 160.219,1331 160.219,1332 160.219,1333 33.388,1334 6.736,1335 63.47,1336 63.47,1337 17,1338 12.206,1339 4.248,1340 3.459,1341 32.359,1342 70,1343 65,1344 0.229,1345 144.097,1346 242.4,1347 343.355,1348 6945,1350 14.82,1351 0.706,1352 0.543,1353 14.82,1354 11.407,1355 10.148,1356 0.441,1357 0.282,1358 6.415,1359 9.777,1360 6.247,1361 5.207,1362 10.148,1363 6.497,1364 9.187,1365 0.287,1366 0.146,1367 9.187,1368 4.676,1369 7.659,1370 0.182,1371 0.077,1372 7.659,1373 3.22,1374 6.277,1375 0.118,1376 0.04,1377 6.277,1378 2.096,1379 4.76,1380 0.077,1381 0.021,1382 4.76,1383 1.308,1384 0.359,1385 63.479,1386 0.256,1387 20.921,1388 0.626,1389 110,1390 349.094,1391 120.507,1392 339.661,1393 461.24,1394 316,1395 129,1396 340.692,1397 139.76,1398 344.09,1399 498.67,1400 324,1401 4.844}
{0 CHEMBL1314162,1 1.75,2 8.095,3 3.867,4 14.954,5 91.507,6 9.278,7 0.478,8 3.646,9 3.737,10 3.506,11 3.343,12 4.839,13 3.265,14 4.076,15 4.205,16 3.853,17 3.675,18 5.204,19 3.582,20 4.175,21 4.33,22 3.803,23 3.631,24 5.341,25 3.542,26 4.205,27 4.37,28 3.854,29 3.652,30 5.373,31 3.519,32 4.185,33 4.385,34 3.656,35 3.589,36 5.231,37 3.457,38 4.056,39 4.239,40 3.577,41 3.546,42 5.098,43 3.419,44 4.093,45 4.24,46 3.663,47 3.616,48 5.253,49 3.472,50 4.121,51 4.306,52 3.41,53 3.524,54 5.169,55 3.331,56 0.058,57 0.498,58 5.343,59 3.088,60 7.407,61 3.343,62 0.124,63 0.818,64 12.623,65 5.192,66 10.61,67 5.399,68 0.14,69 0.88,70 14.216,71 5.768,72 15.842,73 6.112,74 0.254,75 0.939,76 20.718,77 6.871,78 27.529,79 6.016,80 0.243,81 0.913,82 16.01,83 5.854,84 21.037,85 6.133,86 0.132,87 0.766,88 14.904,89 5.713,90 12.658,91 6.028,92 0.163,93 0.765,94 15.82,95 6.36,96 16.54,97 6.498,98 0.134,99 0.76,100 17.185,101 6.898,102 17.344,103 7.382,104 6,105 31,106 0.32,107 0.667,108 0.81,109 0.893,110 0.904,111 0.904,112 3.104,113 1.05,114 -4.5,115 -4.43,116 -4.17,120 44.1,125 1,138 1,139 1,143 6,144 1,145 1,152 1,153 1,156 1,160 1,167 1,174 5,176 1,177 3,182 2,185 6,188 1,189 5,194 2,197 2,201 6,204 1,206 1,209 2,214 7,217 1,222 2,227 3,235 3,240 2,243 1,245 1,247 5,252 1,257 2,260 6,269 1,271 4,274 596,275 14.56,276 14.56,277 14.56,278 14.56,279 14.56,280 12.385,281 10.809,282 8.69,283 15.152,284 11.281,285 11.281,286 11.281,287 11.281,288 11.281,289 8.358,290 10.76,291 3.998,292 12.26,293 3.337,294 1.435,295 0.655,296 0.199,297 0.14,298 0.14,299 3.783,305 1,306 1,307 1,308 365,309 2.449,312 112.535,313 69.05,320 1.061,321 13.324,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44.5,333 170,334 4.428,335 4.568,336 6.704,337 4.061,338 3.146,339 3.891,340 3.655,341 10.873,342 2.879,343 4.179,344 2.993,345 6.021,346 3.762,347 2.787,348 3.8,349 0.683,350 8.549,351 2.712,352 3.853,353 2.954,354 5.724,355 3.348,356 2.462,357 3.256,358 0.267,359 7.637,360 2.169,361 3.228,362 2.872,363 4.623,364 2.624,365 1.714,366 2.414,368 4.566,369 1.564,370 3.109,371 2.203,372 4.248,373 2.559,374 1.605,375 2.272,377 4.003,378 1.511,379 2.861,380 1.806,381 4.027,382 2.392,383 1.414,384 2.01,386 3.338,387 1.375,388 2.666,389 1.514,390 3.602,391 2.213,392 1.29,393 1.657,395 2.966,396 1.173,397 2.392,398 1.282,399 3.308,400 1.825,401 0.934,402 1.29,404 2.085,405 0.812,406 2.118,407 1.221,408 3.139,409 1.468,410 0.618,411 0.927,413 1.372,414 0.508,415 1.967,416 0.932,417 3,418 1.452,419 0.557,420 0.736,422 1.315,423 0.492,424 1.572,425 0.618,426 2.722,427 1.228,428 0.34,429 0.391,431 0.54,432 0.3,433 1.127,434 0.262,435 2.296,436 0.753,437 -0.167,438 -0.199,440 -0.352,441 -0.152,442 0.66,443 0.084,444 2.075,445 0.29,446 -0.645,447 -0.778,449 -1.465,450 -0.585,451 0.479,452 -0.418,453 2,454 0.052,455 -0.901,456 -1.222,458 -2.101,459 -0.855,460 0.169,461 -0.73,462 2,463 -0.334,464 -1.263,465 -1.618,467 -3.011,468 -1.128,469 10.7,470 0.51,471 0.38,472 0.018,473 28,474 1.333,475 15,476 0.714,477 13,478 0.619,479 15.253,480 0.726,481 21.1,482 0.621,483 17.696,484 0.843,485 5.605,486 0.267,487 4.687,488 0.223,489 0.078,491 0.271,496 0.861,497 0.954,498 0.708,499 0.749,500 0.963,501 0.768,502 0.848,503 1.08,504 0.939,505 0.978,506 0.746,507 0.846,508 1.051,509 1.293,510 0.893,511 1.055,512 0.93,513 0.995,514 1.455,515 1.169,516 1.14,517 1.023,518 1.264,519 0.967,520 1.106,521 0.96,522 0.993,523 0.853,524 0.901,525 0.917,526 0.989,527 0.872,528 1.018,529 0.898,530 0.746,531 0.851,532 0.856,533 0.985,534 1.204,535 1.22,536 0.927,537 1.12,538 0.892,539 1.071,540 1.222,541 1.307,542 1.059,543 1.328,544 3,545 0.005,546 2.667,547 1.222,548 0.842,549 0.424,550 0.398,551 0.286,552 0.096,553 0.061,554 4259,555 13064,556 2.102,557 38.2,559 9,560 2,561 1,562 1,567 1.636,568 2,569 3.032,570 -0.244,572 1,574 1,575 59.51,576 1.75,577 3.652,578 4.433,579 4.889,580 4.948,581 4.948,582 2.367,583 4.202,584 4.367,585 3.157,586 662.973,587 7.499,588 7116.27,590 1,591 1,592 1,593 172.974,594 1.268,595 4.338,596 0.13,597 0.002,598 0.086,599 0.042,600 0.031,601 0.018,602 0.017,603 0.012,604 0.006,605 0.007,606 0.351,607 0.33,608 1,609 0.741,610 94.202,612 0.042,613 0.052,614 0.088,615 -0.148,616 0.041,617 0.012,618 -0.023,619 0.009,620 -0.029,621 -0.054,622 0.021,623 0.024,624 -0.279,625 -0.003,626 -0.155,627 0.079,628 -0.112,629 -0.156,630 -0.067,631 -0.042,632 0.009,633 -0.067,634 -0.067,635 -0.113,636 0.119,637 -0.058,638 0.065,639 -0.13,640 -0.001,641 -0.138,642 0.14,643 -0.045,644 0.072,645 -0.008,646 0.102,647 0.08,648 -0.024,649 -0.145,650 -0.172,651 0.105,652 -0.159,653 -0.035,654 -0.182,655 -0.189,656 -0.272,657 -0.049,658 -0.303,659 1.454,660 3.8,661 0.762,662 14.458,663 1.006,664 1.106,665 3.273,666 10.711,667 0.752,668 3.178,669 3.466,670 3.761,671 3.989,672 4.043,673 4.111,674 4.174,675 4.19,676 4.143,677 4.078,678 5.116,679 0.7,680 315.45,681 3.178,682 4.691,683 5.541,684 6.405,685 7.272,686 8.144,687 9.016,688 9.892,689 10.768,690 11.646,691 8.8,694 1,700 2,709 7,713 1,714 3,716 11,734 1,738 34,739 14,740 1,741 23,743 36,744 15,745 10,746 2,747 4,748 3,752 3,753 3,755 1,768 14,769 1,772 3,780 2,781 2,782 2,786 1,789 13,790 4,791 1,792 6,793 2,797 3,803 1,804 1,822 2,823 1,845 1,855 3,856 1,857 2,859 1,862 21,868 1,873 1,875 1,880 1,886 2.9,888 1,893 10.5,894 6.383,895 4.778,896 1.798,898 2.752,899 1.417,900 0.974,901 4.413,902 9.346,903 3.481,904 4.039,905 4.596,906 5.121,907 5.415,908 5.645,909 5.954,910 6.252,911 6.514,912 6.768,913 1,914 29,915 7.698,917 3.188,918 7.69,919 14.691,921 11.711,924 2.19,925 46,929 141.253,930 161.283,931 36.45,933 42.683,935 63.497,936 97.786,937 183.937,938 36.45,939 8.396,940 7.841,941 64.507,942 66.259,943 39.636,944 25.594,945 169.437,947 141.253,948 134.236,949 42.683,950 63.497,952 141.253,953 42.683,956 36.45,957 85.981,958 11.804,959 63.497,960 141.253,961 79.134,962 161.283,965 141.253,966 71.491,967 92.794,969 76.132,970 141.253,971 79.134,972 161.283,973 0.568,974 0.348,975 0.19,976 0.087,977 15,978 6,979 0.083,980 3,982 1,983 3.374,984 159.259,986 16,987 92.239,989 2,993 14.357,994 6.455,995 3.038,997 79.134,998 13.214,1002 1.66,1003 2.024,1005 42.683,1006 381.67,1007 31.5,1015 3.685,1016 8.725,1017 1.812,1020 34.204,1021 37.62,1022 0.344,1023 0.718,1024 0.871,1025 0.961,1026 0.973,1027 0.973,1028 4.689,1029 0.934,1030 5.501,1031 2.966,1032 4.143,1033 4.723,1034 3.326,1035 6.301,1036 3.988,1037 5.884,1038 0.618,1039 7.052,1040 2.085,1041 3.611,1042 4.27,1043 1.998,1044 7.222,1045 3.39,1046 7.175,1047 0.557,1048 8.71,1049 1.372,1050 5.714,1051 6.842,1052 5.789,1053 10.329,1054 5.423,1055 8.508,1056 0.34,1057 10.435,1058 1.315,1059 6.111,1060 7.303,1061 4.966,1062 12.134,1063 5.73,1064 9.874,1065 -0.167,1066 12.204,1067 0.54,1068 7.601,1069 9.219,1070 8.333,1071 14.736,1072 7.174,1073 11.264,1074 -0.645,1075 14.001,1076 -0.352,1077 8.404,1078 10.107,1079 7.844,1080 16.873,1081 7.879,1082 12.671,1083 -0.901,1084 15.818,1085 -1.465,1086 9.664,1087 11.737,1088 10.884,1089 19.321,1090 9.09,1091 3.146,1092 -1.263,1093 17.65,1094 -2.101,1095 10.645,1096 12.839,1097 10.641,1098 21.595,1099 9.974,1100 2.787,1101 10.873,1102 19.493,1103 -3.011,1104 11.817,1105 14.332,1106 13.438,1107 23.994,1108 11.088,1109 2.462,1110 8.549,1111 21.343,1112 3.891,1113 12.878,1114 15.545,1115 13.389,1116 26.326,1117 12.054,1118 1.714,1119 7.637,1120 23.201,1121 3.8,1122 14.018,1123 16.97,1124 15.994,1125 28.711,1126 13.126,1127 1.605,1128 4.566,1129 25.064,1130 3.256,1131 15.115,1132 18.242,1133 16.103,1134 31.07,1135 14.13,1136 1.414,1137 4.003,1138 26.931,1139 2.414,1140 16.247,1141 19.631,1142 18.552,1143 33.452,1144 15.184,1145 1.29,1146 3.338,1147 28.802,1148 2.272,1149 17.362,1150 20.935,1151 18.795,1152 35.824,1153 16.207,1154 4154,1155 7402,1156 15.603,1157 25.574,1158 34.61,1159 36.591,1160 34.936,1161 33.681,1162 33.739,1163 45.289,1164 9.209,1165 94.491,1166 30.99,1167 5.292,1168 6.568,1169 6.394,1170 5.198,1171 5.146,1172 6.891,1173 7.134,1174 17.991,1175 4.879,1176 7.933,1177 1.505,1178 1.591,1179 1.519,1180 1.464,1181 1.467,1182 1.969,1183 0.4,1184 4.108,1185 1.347,1186 3.96,1187 3.985,1188 4.257,1189 3.958,1190 6.469,1191 3.893,1192 3.876,1193 3.89,1194 3.964,1195 3.838,1196 4.876,1197 3.824,1198 3.624,1199 3.666,1200 3.841,1201 3.564,1202 4.669,1203 3.505,1204 3.248,1205 3.34,1206 3.167,1207 3.04,1208 4.597,1209 3.044,1210 3.138,1211 3.192,1212 3.07,1213 3.002,1214 4.374,1215 2.99,1216 2.937,1217 2.972,1218 2.819,1219 2.746,1220 4.016,1221 2.75,1222 2.651,1223 2.724,1224 2.682,1225 2.452,1226 3.57,1227 2.439,1228 2.509,1229 2.577,1230 2.654,1231 2.398,1232 3.286,1233 2.351,1234 0.193,1235 0.199,1236 0.291,1237 0.177,1238 0.137,1239 4.428,1240 0.169,1241 4.568,1242 0.159,1243 6.704,1244 0.473,1245 4.061,1246 0.125,1247 3.146,1248 3.891,1249 3.655,1250 10.873,1251 2.879,1252 1.894,1253 1.871,1254 1.998,1255 1.991,1256 1.067,1257 1.993,1258 1.61,1259 1.592,1260 1.703,1261 1.747,1262 0.854,1263 1.732,1264 1.429,1265 1.393,1266 1.647,1267 1.62,1268 0.652,1269 1.647,1270 1.401,1271 1.353,1272 1.475,1273 1.496,1274 0.64,1275 1.537,1276 1.173,1277 1.112,1278 1.329,1279 1.343,1280 0.369,1281 1.377,1282 0.946,1283 0.932,1284 1.141,1285 1.146,1286 0.263,1287 1.132,1288 0.883,1289 0.839,1290 0.984,1291 0.99,1292 0.161,1293 1.081,1294 0.788,1295 0.722,1296 0.918,1297 0.977,1298 0.082,1299 1.018,1300 3.85,1302 5.142,1303 3.045,1304 6.627,1305 5.283,1306 8.201,1307 7.286,1308 9.82,1310 1.746,1314 9.8,1319 1.54,1321 1.795,1326 23.787,1327 59.51,1328 124.18,1329 150.709,1330 166.219,1331 168.219,1332 168.219,1333 26.203,1334 6.594,1335 49.88,1336 106.36,1337 16,1338 12.184,1339 3.907,1340 3.248,1341 32.03,1342 62,1343 58,1344 0.247,1345 155.697,1346 266.87,1347 371.661,1348 5681,1350 14.656,1351 0.698,1352 0.616,1353 15.364,1354 12.934,1355 10.292,1356 0.447,1357 0.35,1358 6.369,1359 9.064,1360 6.025,1361 5.041,1362 11.2,1363 8.049,1364 8.717,1365 0.281,1366 0.194,1367 9.851,1368 6.004,1369 7.716,1370 0.184,1371 0.112,1372 9.113,1373 4.699,1374 6.34,1375 0.12,1376 0.065,1377 7.826,1378 3.47,1379 4.294,1380 0.077,1381 0.035,1382 5.34,1383 1.956,1384 0.378,1385 72.961,1386 0.253,1387 20.658,1388 0.706,1389 108,1390 318.806,1391 161.693,1392 355.807,1393 489.67,1394 334,1395 127,1396 335.109,1397 175.377,1398 369.607,1399 538.46,1400 346,1401 6.796}
{0 CHEMBL1316978,1 1.672,2 14.293,3 4.914,4 24.148,5 162.873,6 7.931,7 0.489,8 4.414,9 4.513,10 4.166,11 3.988,12 5.462,13 3.937,14 4.983,15 5.152,16 4.521,17 4.385,18 6.119,19 4.322,20 5.177,21 5.336,22 4.655,23 4.577,24 6.267,25 4.484,26 5.386,27 5.582,28 4.663,29 4.611,30 6.535,31 4.507,32 5.318,33 5.523,34 4.536,35 4.575,36 6.392,37 4.45,38 5.27,39 5.48,40 4.53,41 4.544,42 6.299,43 4.432,44 5.24,45 5.411,46 4.551,47 4.519,48 6.534,49 4.439,50 5.248,51 5.426,52 4.473,53 4.544,54 6.328,55 4.429,56 0.09,57 1.112,58 18.049,59 7.667,60 17.514,61 9.042,62 0.672,63 1.841,64 34.529,65 12.185,66 61.012,67 14.934,68 0.349,69 2.211,70 45.661,71 17.482,72 45.284,73 20.158,74 0.912,75 2.523,76 61.338,77 20.172,78 122.122,79 23.127,80 0.807,81 2.405,82 55.464,83 19.143,84 91.961,85 22.896,86 0.614,87 2.336,88 55.41,89 18.365,90 67.716,91 22.297,92 1.112,93 2.152,94 45.7,95 16.663,96 141.224,97 19.872,98 0.56,99 2.23,100 52.414,101 18.416,102 80.884,103 21.23,104 62,105 65,106 0.256,107 0.559,108 0.741,109 0.82,110 0.836,111 0.853,112 3.742,113 1.042,114 -4,115 -3.95,116 -3.74,120 40,122 2,125 4,126 4,143 10,144 3,145 3,147 1,153 1,159 1,163 1,174 12,176 5,177 10,185 12,188 1,189 16,197 8,200 3,201 22,209 5,213 3,214 12,222 8,226 2,227 8,235 12,239 8,240 10,247 14,252 6,260 12,263 5,264 16,271 8,274 3637,275 27.581,276 27.581,277 27.581,278 27.581,279 27.581,280 24.701,281 34.494,282 15.885,283 28.537,284 22.039,285 22.039,286 22.039,287 22.039,288 22.039,289 17.361,290 42.296,291 7.301,292 23.448,293 4.557,294 2.576,295 1.383,296 0.867,297 0.76,298 0.654,299 4.441,307 1,308 1267,309 5,312 100.667,313 542.975,316 197.028,317 224.406,320 2.188,321 51.39,324 0.75,325 0.5,326 0.67,327 0.7,328 0.5,329 0.83,330 1,331 0.71,332 89,333 586,334 4.934,335 4.726,336 7.668,337 4.443,338 3.518,339 4.76,340 1.2,341 13.626,342 3.232,343 4.66,344 3.732,345 6.786,346 4.161,347 3.241,348 4.618,349 0.86,350 11.193,351 2.993,352 4.268,353 3.309,354 6.545,355 3.948,356 2.977,357 3.81,358 0.86,359 10.215,360 2.889,361 4.202,362 3.148,363 6.171,364 3.841,365 2.851,366 3.73,367 0.8,368 9.14,369 2.814,370 3.789,371 2.723,372 5.724,373 3.384,374 2.44,375 3.21,376 0.657,377 7.625,378 2.286,379 3.668,380 2.699,381 5.685,382 3.238,383 2.324,384 3.073,385 0.293,386 7.46,387 2.112,388 3.406,389 2.565,390 5.504,391 3.134,392 2.219,393 2.716,395 6.367,396 2.03,397 3.232,398 2.415,399 4.842,400 2.983,401 2.036,402 2.312,404 5.273,405 1.908,406 3.101,407 2.094,408 4.655,409 2.733,410 1.803,411 2.21,413 5.101,414 1.667,415 2.967,416 1.989,417 4.489,418 2.614,419 1.618,420 2.136,422 4.434,423 1.612,424 2.922,425 1.904,426 4.42,427 2.504,428 1.515,429 2.056,431 4.031,432 1.495,433 2.732,434 1.501,435 4.223,436 2.292,437 1.33,438 1.776,440 3.571,441 1.272,442 2.605,443 1.437,444 3.781,445 2.233,446 1.275,447 1.582,449 2.938,450 1.208,451 2.5,452 1.305,453 3.655,454 2.041,455 1.042,456 1.5,458 2.515,459 1.031,460 2.352,461 1.218,462 3.603,463 2,464 1,465 1.275,467 2.317,468 1,469 19.933,470 0.486,471 1.122,472 0.027,473 52.75,474 1.287,475 26,476 0.634,477 26.75,478 0.652,479 41.607,480 1.015,481 44.867,482 0.598,483 47.903,484 1.168,485 10.272,486 0.251,487 9.45,488 0.23,489 0.151,490 0.042,491 0.311,496 0.65,497 1.438,498 0.781,499 1.196,500 0.614,501 1.006,502 0.967,503 0.849,504 0.798,505 0.728,506 0.612,507 0.731,508 0.884,509 1.272,510 1.101,511 1.241,512 0.802,513 1.065,514 1.326,515 1.033,516 1.149,517 1.061,518 1.617,519 0.967,520 1.029,521 1.055,522 1.135,523 1.051,524 1.348,525 1.013,526 0.889,527 1.031,528 1.127,529 1.132,530 0.916,531 0.972,532 1.107,533 0.936,534 0.96,535 0.917,536 0.984,537 0.976,538 1.203,539 1.177,540 1.196,541 1.203,542 1.288,543 1.176,544 9,545 0.435,546 6.222,547 3.41,548 2.797,549 1.862,550 1.305,551 0.979,552 0.618,553 0.485,554 27880,555 74435,556 2.055,557 45.3,559 30,564 2,565 2,567 1.808,568 1.9,569 3.755,570 -0.727,575 125.371,576 1.672,577 3.652,578 4.846,579 5.362,580 5.469,581 5.575,582 3.194,583 4.821,584 5.328,585 3.984,586 3266.64,587 9.429,588 57547.6,593 467.161,594 1.597,595 5.272,596 0.2,597 0.009,598 0.096,599 0.047,600 0.041,601 0.03,602 0.02,603 0.015,604 0.01,605 0.009,606 0.476,607 0.33,608 0.63,609 1.234,610 232.704,611 0.062,612 -0.262,613 0.172,614 -0.104,615 -0.087,616 -0.018,617 0.071,618 0.274,619 0.158,620 0.247,621 0.152,622 0.206,623 -0.001,624 -0.175,625 0.002,626 -0.119,627 0.056,628 -0.065,629 -0.102,630 -0.003,631 -0.028,632 -0.008,633 -0.107,634 -0.001,635 -0.028,636 -0.021,637 -0.064,638 -0.01,639 -0.11,640 -0.029,641 -0.009,642 0.021,643 -0.02,644 -0.058,645 -0.009,646 0.028,647 0.16,648 0.074,649 -0.041,650 0.03,651 0.256,652 -0.034,653 -0.169,654 -0.155,655 -0.183,656 -0.166,657 -0.155,658 -0.192,659 4.628,660 6.863,661 0.61,662 51.178,663 1.006,664 1.121,665 2.767,666 7.656,667 0.68,668 3.829,669 4.19,670 4.5,671 4.754,672 5.004,673 5.176,674 5.347,675 5.416,676 5.505,677 5.557,678 8.579,679 0.639,680 594.82,681 3.829,682 5.398,683 6.271,684 7.169,685 8.062,686 8.968,687 9.869,688 10.779,689 11.685,690 12.596,691 5.3,694 2,698 1,701 1,708 2,709 10,710 1,713 1,714 7,716 22,724 1,735 2,738 75,739 25,740 3,741 45,743 79,744 30,745 19,746 8,747 10,748 1,752 5,753 7,763 1,766 2,768 20,769 10,772 3,776 1,778 3,782 1,789 34,790 9,792 11,793 2,797 4,803 0.6,804 5,822 1,823 4,826 1,827 1,851 1,855 3,857 2,859 4,862 41,866 1,869 6,872 2,875 3,879 1,886 6.7,889 3,891 2,893 21.583,894 14.8,895 9.028,896 4.318,898 4.106,899 1.474,900 0.988,901 9.07,902 12.766,903 4.094,904 4.73,905 5.325,906 5.886,907 6.414,908 6.774,909 7.18,910 7.441,911 7.686,912 7.961,913 1,914 72,915 15.54,917 6.918,918 7.778,919 29.229,921 24.304,924 2.278,925 93.417,929 400.217,930 213.588,931 24.553,933 91.458,935 37.085,936 176.503,937 491.675,938 24.553,939 38.559,940 16.616,941 100.57,942 90.948,943 50.882,944 0.746,945 431.495,947 400.217,948 201.056,949 91.458,950 37.085,952 353.133,953 138.542,956 23.904,957 160.366,958 22.593,959 31.278,960 400.217,961 116.01,962 213.588,964 5.807,965 400.217,966 74.459,967 141.089,969 108.243,970 400.217,971 116.01,972 213.588,973 0.587,974 0.353,975 0.185,976 0.1,977 31,978 15,979 0.127,980 10,981 2,982 1.16,983 4.862,984 424.523,985 0.16,986 25,987 209.66,989 1,992 1,993 29.616,994 12.556,995 6.177,996 1.415,997 116.01,998 17.738,999 4.776,1002 1.361,1003 4.526,1006 729.816,1007 59,1011 -3.711,1013 40.769,1017 -0.253,1020 75.451,1021 84.108,1022 0.268,1023 0.586,1024 0.778,1025 0.861,1026 0.878,1027 0.895,1028 5.359,1029 2.036,1030 6.293,1031 6.367,1032 4.875,1033 5.418,1034 2.159,1035 7.179,1036 4.759,1037 6.595,1038 1.803,1039 7.909,1040 5.273,1041 4.635,1042 5.472,1043 0.57,1044 8.39,1045 4.437,1046 7.946,1047 1.618,1048 9.639,1049 5.101,1050 6.572,1051 7.734,1052 2.022,1053 11.486,1054 6.335,1055 9.342,1056 1.515,1057 11.44,1058 4.434,1059 7.171,1060 8.641,1061 0.801,1062 13.552,1063 6.836,1064 10.777,1065 1.33,1066 13.288,1067 4.031,1068 8.615,1069 10.427,1070 2.047,1071 16.25,1072 8.241,1073 12.241,1074 1.275,1075 15.17,1076 3.571,1077 9.571,1078 11.692,1079 1.074,1080 18.635,1081 9.096,1082 13.727,1083 1.042,1084 17.078,1085 2.938,1086 10.85,1087 13.316,1088 2.171,1089 21.235,1090 10.323,1091 3.518,1092 1,1093 19.006,1094 2.515,1095 11.958,1096 14.736,1097 1.404,1098 23.743,1099 11.333,1100 3.241,1101 13.626,1102 20.95,1103 2.317,1104 13.188,1105 16.302,1106 2.365,1107 26.327,1108 12.495,1109 2.977,1110 11.193,1111 22.908,1112 4.76,1113 14.361,1114 17.79,1115 1.768,1116 28.886,1117 13.574,1118 2.851,1119 10.215,1120 24.878,1121 4.618,1122 15.58,1123 19.338,1124 2.607,1125 31.474,1126 14.714,1127 2.44,1128 9.14,1129 26.856,1130 3.81,1131 16.783,1132 20.857,1133 2.15,1134 34.057,1135 15.824,1136 2.324,1137 7.625,1138 28.843,1139 3.73,1140 18.004,1141 22.401,1142 2.881,1143 36.651,1144 16.96,1145 2.219,1146 7.46,1147 30.837,1148 3.21,1149 19.223,1150 23.934,1151 2.538,1152 39.246,1153 18.086,1154 26379,1155 43388,1156 29.531,1157 51.012,1158 68.386,1159 70.344,1160 71.192,1161 68.043,1162 68.105,1163 88.486,1164 9.34,1165 204.315,1166 64.159,1167 5.879,1168 6.726,1169 7.355,1170 5.593,1171 5.518,1172 7.76,1173 2.293,1174 21.632,1175 5.232,1176 23.439,1177 1.52,1178 1.563,1179 1.582,1180 1.512,1181 1.513,1182 1.966,1183 0.208,1184 4.54,1185 1.426,1186 4.137,1187 4.136,1188 4.743,1189 4.106,1190 7.715,1191 4.046,1192 4.054,1193 4.057,1194 4.332,1195 4.031,1196 7.428,1197 3.981,1198 3.93,1199 3.949,1200 3.885,1201 3.884,1202 6.999,1203 3.871,1204 3.756,1205 3.809,1206 3.786,1207 3.63,1208 5.034,1209 3.594,1210 3.662,1211 3.683,1212 3.578,1213 3.513,1214 4.742,1215 3.495,1216 3.483,1217 3.546,1218 3.518,1219 3.328,1220 4.654,1221 3.305,1222 3.328,1223 3.371,1224 3.269,1225 3.211,1226 4.607,1227 3.178,1228 3.325,1229 3.363,1230 3.218,1231 3.116,1232 4.513,1233 3.086,1234 0.11,1235 0.105,1236 0.17,1237 0.099,1238 0.078,1239 4.934,1240 0.106,1241 4.726,1242 0.027,1243 7.668,1244 0.303,1245 4.443,1246 0.072,1247 3.518,1248 4.76,1249 1.2,1250 13.626,1251 3.232,1252 2.016,1253 2.012,1254 2.095,1255 2.104,1256 1.371,1257 2.13,1258 1.927,1259 1.909,1260 1.996,1261 2.008,1262 1.248,1263 2.019,1264 1.887,1265 1.882,1266 1.935,1267 1.979,1268 1.153,1269 1.972,1270 1.708,1271 1.653,1272 1.93,1273 1.917,1274 1.104,1275 1.934,1276 1.563,1277 1.548,1278 1.705,1279 1.746,1280 0.88,1281 1.759,1282 1.443,1283 1.382,1284 1.685,1285 1.658,1286 0.843,1287 1.678,1288 1.282,1289 1.256,1290 1.593,1291 1.572,1292 0.723,1293 1.576,1294 1.266,1295 1.211,1296 1.535,1297 1.456,1298 0.595,1299 1.496,1300 4.511,1302 5.861,1303 2.398,1304 7.413,1305 4.727,1306 9.056,1307 6.88,1308 10.747,1310 7.15,1315 3.386,1318 11.046,1321 5.214,1326 47.936,1327 125.371,1328 273.929,1329 363.413,1330 402.142,1331 410.142,1332 418.142,1333 99.728,1334 8.66,1335 92.28,1336 128.9,1337 29,1338 13.111,1339 4.7,1340 3.907,1341 66.261,1342 209,1343 221,1344 0.15,1345 298.793,1346 518.09,1347 720.814,1348 80460,1350 29.148,1351 0.711,1352 0.617,1353 29.751,1354 25.296,1355 19.722,1356 0.438,1357 0.347,1358 13.342,1359 17.686,1360 12.7,1361 10.576,1362 20.919,1363 15.634,1364 18.069,1365 0.278,1366 0.201,1367 20.003,1368 13.055,1369 15.627,1370 0.176,1371 0.114,1372 17.795,1373 10.149,1374 12.759,1375 0.111,1376 0.065,1377 14.88,1378 7.486,1379 10.149,1380 0.069,1381 0.036,1382 12.058,1383 5.38,1384 0.237,1385 136.389,1386 0.184,1387 36.563,1388 0.407,1389 220,1390 668.979,1391 307.589,1392 677.107,1393 922.19,1394 630,1395 264,1396 629.25,1397 360.416,1398 694.733,1399 1023.14,1400 646,1401 5.3}
{0 CHEMBL1318971,1 1.667,2 9.167,3 3.465,4 12.006,5 97.839,6 8.279,7 0.24,8 3.787,9 3.887,10 3.489,11 3.397,12 5.036,13 3.351,14 4.252,15 4.403,16 3.815,17 3.707,18 5.389,19 3.648,20 4.42,21 4.577,22 3.981,23 3.866,24 5.636,25 3.803,26 4.534,27 4.708,28 4.02,29 3.908,30 5.912,31 3.836,32 4.492,33 4.663,34 3.948,35 3.924,36 5.772,37 3.832,38 4.554,39 4.745,40 3.834,41 3.865,42 5.852,43 3.762,44 4.383,45 4.56,46 3.574,47 3.715,48 5.675,49 3.612,50 4.414,51 4.655,52 3.39,53 3.593,54 5.63,55 3.454,56 0.017,57 0.567,58 7.266,59 3.765,60 11.802,61 4.405,62 0.231,63 0.905,64 16.778,65 6.092,66 19.492,67 7.068,68 0.128,69 1.049,70 18.084,71 7.447,72 30.243,73 8.571,74 0.429,75 1.211,76 24.703,77 8.206,78 66.208,79 8.883,80 0.138,81 1.135,82 19.222,83 7.991,84 38.774,85 9.481,86 0.382,87 1.183,88 25.192,89 8.375,90 67.068,91 9.365,92 0.163,93 0.959,94 17.422,95 7.112,96 55.651,97 8.479,98 0.418,99 0.937,100 19.692,101 7.244,102 65.093,103 9.631,104 47,105 33,106 0.292,107 0.662,108 0.8,109 0.834,110 0.851,111 0.851,112 3.229,113 0.982,114 -3.96,115 -3.92,116 -3.71,120 43.9,125 1,126 2,135 2,136 2,137 1,139 1,143 4,144 1,145 1,159 2,160 1,174 6,176 2,177 10,185 6,189 5,197 5,200 4,201 11,209 6,214 10,222 4,226 1,227 10,235 6,240 2,247 9,251 3,252 2,260 9,264 1,271 4,274 832,275 16.516,276 16.516,277 16.516,278 16.516,279 16.516,280 14.945,281 19.255,282 9.993,283 17.051,284 12.112,285 12.112,286 12.112,287 12.112,288 12.112,289 9.439,290 18.822,291 4.387,292 12.914,293 3.69,294 1.582,295 0.799,296 0.604,297 0.506,298 0.506,299 3.891,305 1,306 1,307 1,308 441,309 3.24,313 166.048,320 1.375,321 27.316,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 51.5,333 220,334 4.6,335 4.56,336 6.849,337 4.203,338 3.241,339 4.139,340 3.835,341 11.339,342 3.132,343 4.046,344 4.116,345 6.216,346 3.687,347 2.731,348 3.546,349 2.035,350 9.137,351 2.617,352 3.814,353 3.608,354 5.601,355 3.359,356 2.428,357 3.04,358 1.306,359 7.224,360 2.25,361 3.587,362 3.001,363 5.294,364 3.139,365 2.204,366 2.796,367 0.968,368 6.66,369 2.034,370 3.287,371 2.924,372 4.786,373 2.67,374 1.746,375 2.253,376 0.86,377 4.957,378 1.593,379 2.974,380 2.728,381 3.916,382 2.365,383 1.424,384 1.771,385 0.495,386 3.014,387 1.323,388 2.825,389 2.129,390 3.511,391 2.21,392 1.217,393 1.64,394 0.123,395 2.286,396 1.202,397 2.709,398 1.887,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.393,408 3.332,409 1.801,410 0.862,411 1.322,413 1.687,414 0.8,415 1.926,416 1.22,417 2.871,418 1.393,419 0.49,420 0.604,422 0.759,423 0.432,424 1.761,425 1.053,426 2.711,427 1.317,428 0.416,429 0.521,431 0.668,432 0.369,433 1.681,434 1,435 2.529,436 0.979,437 0.057,438 0.086,440 0.096,441 0.052,442 1.246,443 0.95,444 2.284,445 0.673,446 -0.282,447 -0.459,449 -0.464,450 -0.265,451 0.788,452 0.29,453 2.123,454 0.411,455 -0.522,456 -0.635,458 -1.005,459 -0.478,460 0.562,461 -0.285,462 2,463 0.146,464 -0.824,465 -1.106,467 -1.443,468 -0.791,469 11.7,470 0.488,471 0.431,472 0.018,473 30.75,474 1.281,475 16,476 0.667,477 14.75,478 0.615,479 18.54,480 0.772,481 24.9,482 0.607,483 24.114,484 1.005,485 6.268,486 0.261,487 5.387,488 0.224,489 0.191,491 0.291,496 0.734,497 1.238,498 0.723,499 0.987,500 0.598,501 0.93,502 0.965,503 1.056,504 1.002,505 1.031,506 0.627,507 0.86,508 1.01,509 1.201,510 0.854,511 0.979,512 0.802,513 0.863,514 1.191,515 0.916,516 1.239,517 1.021,518 1.027,519 0.855,520 0.871,521 1.173,522 0.951,523 1.043,524 0.935,525 1.017,526 1.387,527 0.963,528 1.333,529 1.069,530 1.776,531 1.002,532 1.102,533 1.198,534 1.134,535 1.21,536 1.362,537 1.26,538 0.619,539 0.816,540 0.79,541 0.882,542 1.008,543 1.056,544 4,545 0.058,546 2.889,547 1.813,548 1.818,549 1.139,550 0.647,551 0.345,552 0.222,553 0.107,554 5113,555 16425,556 1.948,557 41.5,559 17,567 1.677,568 1.8,569 3.149,570 -0.74,572 1,575 68.359,576 1.667,577 3.775,578 4.559,579 4.754,580 4.851,581 4.851,582 2.663,583 3.97,584 4.547,585 3.29,586 908.115,587 7.899,588 10489.4,589 1,590 1,592 1,593 219.66,594 1.49,595 4.498,596 0.16,597 0.01,598 0.088,599 0.046,600 0.047,601 0.031,602 0.02,603 0.013,604 0.011,605 0.008,606 0.434,607 0.33,608 1,609 1.583,610 112.335,611 -0.013,612 -0.188,613 0.064,614 -0.048,615 -0.039,616 -0.032,617 0.055,618 0.004,619 0.044,620 0.009,621 -0.031,622 0.072,623 -0.039,624 -0.171,625 0.13,626 0.025,627 0.018,628 0.075,629 0.01,630 0.206,631 -0.058,632 0.053,633 0.151,634 0.062,635 -0.064,636 -0.141,638 -0.057,639 0.039,640 -0.07,641 -0.204,642 0.091,643 -0.207,644 -0.022,645 -0.225,646 -0.06,647 -0.154,648 -0.229,649 -0.27,650 -0.282,651 -0.135,652 -0.317,653 0.279,654 0.089,655 0.021,656 -0.019,657 0.025,658 -0.062,659 2.037,660 5.68,661 0.5,662 21.222,663 1.005,664 1.116,665 2.734,666 7.473,667 0.705,668 3.258,669 3.526,670 3.829,671 4.078,672 4.317,673 4.407,674 4.477,675 4.466,676 4.382,677 4.22,678 5.447,679 0.668,680 339.45,681 3.258,682 4.762,683 5.609,684 6.482,685 7.359,686 8.247,687 9.136,688 10.03,689 10.924,690 11.821,691 7.3,698 1,700 2,709 4,714 2,716 6,735 1,738 41,739 12,740 1,741 25,743 42,744 18,745 6,746 2,747 4,748 4,752 2,753 2,767 1,768 14,769 3,772 5,773 2,778 1,780 2,781 1,782 4,785 1,786 1,789 17,790 5,792 6,793 1,797 3,803 1,804 2,823 2,833 1,839 1,843 2,845 3,846 1,855 2,856 1,857 1,859 1,862 24,869 2,872 1,873 1,875 1,877 1,882 1,884 1,886 4.9,889 1,891 1,893 13.333,894 7.85,895 5.806,896 2.197,898 1.978,899 1.298,900 0.935,901 6.283,902 8.615,903 3.584,904 4.034,905 4.608,906 5.147,907 5.682,908 5.962,909 6.299,910 6.604,911 6.753,912 6.551,913 1,914 39,915 8.818,917 3.593,918 7.951,919 16.361,921 12.537,924 2.451,925 58.833,928 1,929 200.109,930 170.87,931 50.969,933 36.145,935 32.22,936 138.651,937 236.254,938 50.969,939 10.883,940 37.664,941 56.857,942 49.208,943 70.459,944 0.693,945 232.328,947 200.109,948 189.62,949 36.145,950 32.22,952 200.109,953 36.145,956 53.975,957 113.936,958 21.709,959 32.22,960 200.109,961 87.114,962 170.87,965 200.109,966 54.994,967 70.865,968 16.602,969 115.524,970 200.109,971 87.114,972 170.87,973 0.55,974 0.344,975 0.197,976 0.115,977 13,978 7,979 0.167,980 7,982 1,983 3.41,984 188.457,986 12,987 106.039,989 1,993 17.905,994 8.422,995 3.92,997 87.114,998 7.094,1003 1.383,1006 458.093,1007 35,1008 7.345,1013 12.68,1015 3.343,1016 4.553,1017 0.552,1020 41.222,1021 45.74,1022 0.311,1023 0.705,1024 0.851,1025 0.887,1026 0.906,1027 0.906,1028 4.808,1029 1,1030 5.58,1031 2.286,1032 4.205,1033 4.718,1034 3.8,1035 6.412,1036 4.095,1037 6.002,1038 0.862,1039 7.154,1040 2.275,1041 3.761,1042 4.407,1043 2.048,1044 7.409,1045 3.623,1046 7.301,1047 0.49,1048 8.837,1049 1.687,1050 5.802,1051 6.828,1052 6.098,1053 10.534,1054 5.603,1055 8.639,1056 0.416,1057 10.583,1058 0.759,1059 6.236,1060 7.384,1061 4.992,1062 12.356,1063 6.017,1064 10.012,1065 0.057,1066 12.371,1067 0.668,1068 7.714,1069 9.241,1070 8.677,1071 15.014,1072 7.449,1073 11.41,1074 -0.282,1075 14.185,1076 0.096,1077 8.545,1078 10.205,1079 7.962,1080 17.17,1081 8.259,1082 12.83,1083 -0.522,1084 16.019,1085 -0.464,1086 9.811,1087 11.825,1088 11.314,1089 19.676,1090 9.49,1091 3.241,1092 -0.824,1093 17.867,1094 -1.005,1095 10.824,1096 12.997,1097 10.864,1098 21.977,1099 10.478,1100 2.731,1101 11.339,1102 19.726,1103 -1.443,1104 12.015,1105 14.508,1106 13.965,1107 24.428,1108 11.637,1109 2.428,1110 9.137,1111 21.594,1112 4.139,1113 13.11,1114 15.79,1115 13.717,1116 26.795,1117 12.705,1118 2.204,1119 7.224,1120 23.47,1121 3.546,1122 14.278,1123 17.249,1124 16.622,1125 29.227,1126 13.841,1127 1.746,1128 6.66,1129 25.352,1130 3.04,1131 15.411,1132 18.591,1133 16.538,1134 31.624,1135 14.945,1136 1.424,1137 4.957,1138 27.239,1139 2.796,1140 16.574,1141 20.026,1142 19.281,1143 34.05,1144 16.077,1145 1.217,1146 3.014,1147 29.131,1148 2.253,1149 17.726,1150 21.401,1151 19.335,1152 36.461,1153 17.197,1154 5366,1155 9728,1156 16.008,1157 28.904,1158 37.82,1159 41.766,1160 38.925,1161 35.592,1162 35.632,1163 46.437,1164 19.245,1165 100.204,1166 33.608,1167 5.496,1168 6.56,1169 6.71,1170 5.294,1171 5.241,1172 7.139,1173 7.527,1174 18.956,1175 5.132,1176 13.898,1177 1.513,1178 1.671,1179 1.557,1180 1.424,1181 1.425,1182 1.857,1183 0.77,1184 4.008,1185 1.344,1186 3.992,1187 4.016,1188 4.042,1189 3.912,1190 7.428,1191 3.916,1192 3.774,1193 3.806,1194 3.824,1195 3.659,1196 6.818,1197 3.654,1198 3.556,1199 3.608,1200 3.613,1201 3.482,1202 4.891,1203 3.442,1204 3.511,1205 3.561,1206 3.395,1207 3.395,1208 4.739,1209 3.387,1210 3.235,1211 3.3,1212 3.179,1213 3.026,1214 4.697,1215 2.997,1216 3.144,1217 3.2,1218 3.075,1219 2.963,1220 4.593,1221 2.978,1222 2.921,1223 2.959,1224 2.949,1225 2.735,1226 4.302,1227 2.715,1228 2.854,1229 2.925,1230 2.73,1231 2.698,1232 3.674,1233 2.707,1234 0.184,1235 0.182,1236 0.274,1237 0.168,1238 0.13,1239 4.6,1240 0.166,1241 4.56,1242 0.153,1243 6.849,1244 0.454,1245 4.203,1246 0.125,1247 3.241,1248 4.139,1249 3.835,1250 11.339,1251 3.132,1252 1.938,1253 1.919,1254 2.015,1255 2.037,1256 1.127,1257 2.029,1258 1.714,1259 1.681,1260 1.853,1261 1.879,1262 0.97,1263 1.874,1264 1.569,1265 1.52,1266 1.786,1267 1.704,1268 0.873,1269 1.749,1270 1.499,1271 1.456,1272 1.632,1273 1.652,1274 0.633,1275 1.658,1276 1.184,1277 1.111,1278 1.544,1279 1.489,1280 0.548,1281 1.51,1282 1.057,1283 1.013,1284 1.22,1285 1.256,1286 0.218,1287 1.247,1288 0.886,1289 0.821,1290 1.181,1291 1.078,1292 0.188,1293 1.118,1294 0.839,1295 0.784,1296 1.154,1297 1.062,1298 0.134,1299 1.107,1300 3.932,1302 5.209,1304 6.715,1306 8.335,1308 10.017,1310 1.578,1315 0.903,1318 5.136,1319 1.389,1321 1.451,1324 9.444,1325 1.982,1326 27.369,1327 68.359,1328 154.789,1329 186.905,1330 194.905,1331 198.905,1332 198.905,1333 55.834,1334 6.637,1335 67.91,1336 93.21,1337 12,1338 12.346,1339 3.7,1340 3.459,1341 47.982,1342 76,1343 92,1344 0.317,1345 178.878,1346 327.03,1347 428.223,1348 5192,1350 17.527,1351 0.73,1352 0.591,1353 17.88,1354 14.175,1355 11.655,1356 0.466,1357 0.327,1358 7.181,1359 10.776,1360 6.86,1361 5.774,1362 12.109,1363 8.184,1364 9.375,1365 0.284,1366 0.174,1367 9.958,1368 5.75,1369 8.177,1370 0.182,1371 0.094,1372 8.876,1373 4.224,1374 6.707,1375 0.116,1376 0.049,1377 7.369,1378 2.863,1379 5.381,1380 0.073,1381 0.027,1382 6.054,1383 2.003,1384 0.479,1385 77.463,1386 0.25,1387 23.023,1388 0.927,1389 116,1390 383.267,1391 150.039,1392 393.174,1393 525.63,1394 366,1395 136,1396 359.985,1397 165.684,1398 380.543,1399 554.6,1400 354,1401 4.897}
{0 CHEMBL1319810,1 1.912,2 9.4,3 1.685,4 2.839,5 70.528,6 9.81,7 0.5,8 3.588,9 3.64,10 3.42,11 3.099,12 4.867,13 3.124,14 4.079,15 4.155,16 3.803,17 3.427,18 5.476,19 3.445,20 4.114,21 4.239,22 3.633,23 3.42,24 5.322,25 3.385,26 4.092,27 4.227,28 3.57,29 3.253,30 5.326,31 3.267,32 3.956,33 4.132,34 3.379,35 3.118,36 5.128,37 3.096,38 3.697,39 3.79,40 3.417,41 2.952,42 5.263,43 2.957,44 3.551,45 3.65,46 3.202,47 2.842,48 4.973,49 2.842,50 3.481,51 3.666,52 2.875,53 2.796,54 4.495,55 2.691,56 0.231,57 0.437,58 3.572,59 2.964,60 18.12,61 2.397,62 0.597,63 0.673,64 11.705,65 4.968,66 49.621,67 4.204,68 0.528,69 0.697,70 13.06,71 5.493,72 48.843,73 4.928,74 0.622,75 0.652,76 11.969,77 4.46,78 47.971,79 3.414,80 0.549,81 0.599,82 11.713,83 3.933,84 35.633,85 3.804,86 0.521,87 0.466,88 8.377,89 3.134,90 38.301,91 2.759,92 0.332,93 0.396,94 6.717,95 2.731,96 25.499,97 2.112,98 0.215,99 0.368,100 6.541,101 3.009,102 17.05,103 3.303,104 9,105 30,106 0.363,107 0.735,108 0.838,109 0.881,110 0.894,111 0.894,112 3.057,113 0.926,114 -3.58,115 -3.55,116 -3.39,120 40,122 1,126 1,127 1,143 3,144 1,145 2,159 1,162 1,163 1,167 1,168 1,172 1,174 3,175 1,176 3,177 7,180 1,182 1,185 3,189 10,197 1,198 1,201 9,206 1,209 1,213 2,214 2,215 2,222 2,226 5,228 1,230 2,235 2,239 2,240 1,243 1,247 2,248 1,252 2,257 1,260 1,261 2,264 3,269 2,272 1,274 506,275 13.585,276 13.585,277 13.585,278 13.585,279 13.585,280 12.123,281 11.384,282 8.141,283 14.026,284 10.892,285 10.892,286 10.892,287 10.892,288 10.892,289 8.58,290 11.014,291 3.905,292 11.584,293 2.995,294 1.034,295 0.492,296 0.267,297 0.2,298 0.2,299 3.737,305 1,306 1,307 1,308 406,309 2.915,312 100.263,313 50.178,316 80.291,320 1.7,321 26.461,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46,333 188,334 4.388,335 4.412,336 6.305,337 3.989,338 3.024,339 4.071,340 2.95,341 9.634,342 2.92,343 4.106,344 3.594,345 6.029,346 3.695,347 2.758,348 3.679,349 2.341,350 8.707,351 2.577,352 3.601,353 3.314,354 5.297,355 3.254,356 2.314,357 2.909,358 1.392,359 6.766,360 2.195,361 3.524,362 2.882,363 4.652,364 3.137,365 2.171,366 2.703,367 0.532,368 5.161,369 2.03,370 2.888,371 2.587,372 4.413,373 2.479,374 1.534,375 2.028,377 4.292,378 1.442,379 2.798,380 1.993,381 4.213,382 2.375,383 1.456,384 1.895,386 3.814,387 1.317,388 2.257,389 1.85,390 3.439,391 2.063,392 1.095,393 1.208,395 2.412,396 1.05,397 2.148,398 1.457,399 3.299,400 1.862,401 0.927,402 1.084,404 2.094,405 0.847,406 2.114,407 0.901,408 3.19,409 1.669,410 0.685,411 0.98,413 1.648,414 0.671,415 1.627,416 0.81,417 3.022,418 1.326,419 0.392,420 0.47,422 0.976,423 0.363,424 1.002,425 0.659,426 2.538,427 0.691,428 -0.206,429 -0.229,431 -0.487,432 -0.179,433 0.707,434 0.29,435 2.269,436 0.315,437 -0.66,438 -0.835,440 -1.781,441 -0.636,442 0.459,443 0.158,444 2.093,445 0.076,446 -0.913,447 -1.181,449 -2,450 -0.887,451 0.422,452 -0.44,453 1.557,455 -1,456 -1.217,458 -2.511,459 -0.93,460 0.08,461 -0.585,462 1.493,463 -0.259,464 -1.148,465 -1.478,467 -3.042,468 -1.02,469 9.3,470 0.465,471 0.452,472 0.023,473 26.5,474 1.325,475 13,476 0.65,477 13.5,478 0.675,479 13.165,480 0.658,481 21.9,482 0.73,483 16.661,484 0.833,485 5.251,486 0.263,487 4.47,488 0.223,489 0.072,491 0.323,496 0.895,497 1.076,498 0.657,499 0.952,500 0.759,501 0.831,502 0.819,503 1.098,504 0.99,505 1.152,506 0.5,507 0.929,508 1.033,509 1.189,510 1.141,511 1.165,512 1.092,513 1.088,514 1.376,515 1.081,516 1.013,517 0.924,518 1.177,519 0.982,520 0.931,521 0.939,522 1.001,523 0.797,524 0.631,525 0.863,526 0.476,527 1.002,528 1.171,529 1.086,530 0.522,531 0.95,532 0.985,533 0.965,534 1.193,535 1.144,536 0.938,537 1.063,538 0.488,539 1.02,540 0.875,541 1.171,542 0.579,543 1.279,544 4,545 0.065,546 2,547 0.854,548 0.743,549 0.483,550 0.252,551 0.188,552 0.113,553 0.07,554 4150,555 16483,556 2.107,557 33.3,559 5,560 2,562 1,563 2,567 1.611,568 2,569 3.224,570 -0.124,572 1,573 1,574 1,575 57.358,576 1.912,577 3.873,578 4.415,579 4.64,580 4.707,581 4.707,582 2.709,583 4.222,584 4.288,585 3.394,586 644.782,587 7.297,588 6735.36,589 1,590 1,592 1,593 147.207,594 1.295,595 4.266,596 0.182,597 0.008,598 0.067,599 0.034,600 0.034,601 0.025,602 0.013,603 0.013,604 0.011,605 0.007,606 0.394,607 0.5,608 1,609 1.413,610 90.043,611 -0.12,612 -0.011,613 0.035,614 -0.008,615 -0.1,616 0.005,617 0.128,618 -0.069,619 -0.013,620 -0.087,621 0.192,622 -0.022,623 -0.184,624 -0.213,625 -0.11,626 -0.1,627 -0.188,628 -0.082,629 -0.362,630 -0.097,631 -0.099,632 -0.019,633 -0.293,634 -0.067,635 -0.064,636 0.104,637 -0.002,638 0.124,639 -0.045,640 0.115,641 0.549,642 0.143,643 -0.061,644 -0.01,645 0.391,646 -0.096,647 -0.033,648 0.136,649 -0.181,650 -0.108,651 0.008,652 -0.192,653 0.104,654 -0.063,655 0.112,656 -0.17,657 0.029,658 -0.16,659 2.52,660 3.419,661 0.7,662 17.16,663 1.048,664 1.121,665 2.35,666 5.522,667 0.699,668 3.135,669 3.434,670 3.664,671 3.912,672 4.025,673 4.159,674 4.263,675 4.369,676 4.344,677 4.29,678 5.696,679 0.697,680 294.31,681 3.135,682 4.654,683 5.485,684 6.347,685 7.2,686 8.069,687 8.932,688 9.806,689 10.675,690 11.551,691 6.7,701 2,709 3,710 2,712 1,714 5,716 11,735 2,738 30,739 12,740 1,741 22,743 32,744 12,745 8,746 3,747 3,752 3,753 4,766 1,768 9,769 3,772 1,778 1,782 1,785 1,786 1,789 10,790 7,791 1,792 8,793 1,797 2,803 0.667,804 5,822 2,823 1,826 1,840 1,853 1,855 2,856 1,857 1,862 20,868 1,869 3,872 2,873 1,886 16.7,888 1,889 1,891 3,893 10,894 5.433,895 4.389,896 1.634,898 2.191,899 1.327,900 0.936,901 3.913,902 8.898,903 3.384,904 3.946,905 4.467,906 5.027,907 5.433,908 5.777,909 6.143,910 6.483,911 6.711,912 6.809,913 1,914 25,915 7.332,917 3.118,918 8.092,919 13.501,921 10.731,924 2.592,925 51.833,929 105.94,930 93.72,931 33.326,933 99.335,935 32.22,936 61.501,937 205.275,938 33.326,940 10.084,941 28.429,942 107.084,943 48.565,944 23.542,945 114.617,947 105.94,948 94.827,949 99.335,950 32.22,952 105.94,953 99.335,956 18.49,957 43.011,958 33.326,959 32.22,960 105.94,961 132.661,962 93.72,965 105.94,966 65.291,967 28.429,969 132.661,970 105.94,971 132.661,972 93.72,973 0.575,974 0.314,975 0.165,976 0.081,977 15,978 6,979 0.156,980 5,981 1,982 1.143,983 3.388,984 144.924,985 0.143,986 14,987 86.439,989 1,993 13.426,994 5.829,995 3.143,997 132.661,998 5.341,999 7.793,1001 5.463,1003 2.761,1005 42.683,1006 332.322,1007 28.5,1013 10.419,1017 -0.854,1020 31.451,1021 33.624,1022 0.39,1023 0.789,1024 0.9,1025 0.946,1026 0.959,1027 0.959,1028 4.603,1029 0.927,1030 5.451,1031 2.412,1032 4.111,1033 4.63,1034 3.447,1035 6.213,1036 3.999,1037 5.787,1038 0.685,1039 6.974,1040 2.094,1041 3.611,1042 4.388,1043 2.243,1044 7.002,1045 3.451,1046 7.078,1047 0.392,1048 8.595,1049 1.648,1050 5.652,1051 6.764,1052 5.282,1053 10.065,1054 5.445,1055 8.406,1056 -0.206,1057 10.274,1058 0.976,1059 5.994,1060 7.364,1061 4.112,1062 11.706,1063 5.74,1064 9.765,1065 -0.66,1066 11.991,1067 -0.487,1068 7.473,1069 9.192,1070 7.323,1071 14.25,1072 7.181,1073 11.146,1074 -0.913,1075 13.735,1076 -1.781,1077 8.2,1078 10.176,1079 5.889,1080 16.232,1081 7.864,1082 12.544,1083 -1,1084 15.498,1085 -2,1086 9.448,1087 11.773,1088 9.429,1089 18.593,1090 9.079,1091 3.024,1092 -1.148,1093 17.275,1094 -2.511,1095 10.361,1096 12.949,1097 7.625,1098 20.72,1099 9.95,1100 2.758,1101 9.634,1102 19.063,1103 -3.042,1104 11.512,1105 14.44,1106 11.561,1107 23.011,1108 11.069,1109 2.314,1110 8.707,1111 20.858,1112 4.071,1113 12.515,1114 15.715,1115 9.342,1116 25.202,1117 12.033,1118 2.171,1119 6.766,1120 22.66,1121 3.679,1122 13.626,1123 17.155,1124 13.706,1125 27.466,1126 13.114,1127 1.534,1128 5.161,1129 24.467,1130 2.909,1131 14.673,1132 18.482,1133 11.051,1134 29.688,1135 14.124,1136 1.456,1137 4.292,1138 26.278,1139 2.703,1140 15.77,1141 19.897,1142 15.858,1143 31.942,1144 15.19,1145 1.095,1146 3.814,1147 28.092,1148 2.028,1149 16.839,1150 21.254,1151 12.755,1152 34.179,1153 16.225,1154 4049,1155 8175,1156 14.909,1157 20.977,1158 32.991,1159 35.638,1160 33.173,1161 32.79,1162 32.714,1163 42.056,1164 14.428,1165 91.008,1166 30.823,1167 5.246,1168 6.412,1169 5.864,1170 5.105,1171 5.024,1172 7.071,1173 5.9,1174 16.12,1175 4.92,1176 8.222,1177 1.5,1178 1.62,1179 1.508,1180 1.49,1181 1.487,1182 1.912,1183 0.656,1184 4.137,1185 1.401,1186 3.999,1187 4.008,1188 4.053,1189 3.881,1190 7.474,1191 3.894,1192 3.732,1193 3.744,1194 3.862,1195 3.582,1196 6.351,1197 3.553,1198 3.59,1199 3.613,1200 3.536,1201 3.328,1202 5.255,1203 3.377,1204 3.244,1205 3.272,1206 3.273,1207 3.003,1208 4.98,1209 3.022,1210 2.995,1211 3.011,1212 3.057,1213 2.794,1214 4.283,1215 2.775,1216 2.834,1217 2.885,1218 2.714,1219 2.656,1220 3.973,1221 2.663,1222 2.541,1223 2.6,1224 2.439,1225 2.402,1226 3.938,1227 2.394,1228 2.283,1229 2.377,1230 2.293,1231 2.05,1232 3.811,1233 2.009,1234 0.199,1235 0.201,1236 0.287,1237 0.181,1238 0.137,1239 4.388,1240 0.185,1241 4.412,1242 0.134,1243 6.305,1244 0.438,1245 3.989,1246 0.133,1247 3.024,1248 4.071,1249 2.95,1250 9.634,1251 2.92,1252 1.867,1253 1.854,1254 1.946,1255 1.958,1256 1.084,1257 1.953,1258 1.583,1259 1.555,1260 1.764,1261 1.775,1262 1.068,1263 1.784,1264 1.179,1265 1.18,1266 1.44,1267 1.522,1268 0.579,1269 1.487,1270 1.129,1271 1.12,1272 1.165,1273 1.42,1274 0.267,1275 1.355,1276 1.066,1277 1.028,1278 1.097,1279 1.363,1280 0.205,1281 1.291,1282 0.794,1283 0.735,1284 1.05,1285 1.15,1286 0.123,1287 1.1,1288 0.742,1289 0.704,1290 0.927,1291 0.988,1293 1.019,1294 0.473,1295 0.433,1296 0.705,1297 0.751,1299 0.731,1300 3.807,1302 5.106,1303 3.045,1304 6.575,1305 5.283,1306 8.128,1307 7.273,1308 9.732,1314 8.559,1315 0.642,1318 10.498,1319 1.213,1326 20.911,1327 57.358,1328 116.187,1329 132.452,1330 139.207,1331 141.207,1332 141.207,1333 28.361,1334 6.707,1335 94.68,1336 119.98,1337 16,1338 12.092,1339 3.7,1340 2.907,1341 30.211,1342 67,1343 68,1344 0.222,1345 130.835,1346 225.9,1347 310.997,1348 6676,1350 13.949,1351 0.697,1352 0.553,1353 14.303,1354 11.053,1355 9.72,1356 0.442,1357 0.309,1358 5.737,1359 8.617,1360 5.588,1361 4.569,1362 10.174,1363 6.789,1364 8.788,1365 0.293,1366 0.166,1367 9.398,1368 4.98,1369 6.973,1370 0.183,1371 0.089,1372 7.566,1373 3.388,1374 5.786,1375 0.118,1376 0.048,1377 6.49,1378 2.328,1379 4.11,1380 0.075,1381 0.026,1382 4.707,1383 1.405,1384 0.351,1385 67.559,1386 0.259,1387 20.273,1388 0.596,1389 104,1390 435.242,1391 147.554,1392 417.272,1393 555.33,1394 390,1395 120,1396 387.368,1397 155.401,1398 392.47,1399 575.48,1400 366,1401 5.521}
{0 CHEMBL1319867,1 1.998,2 7.333,3 3.241,4 10.506,5 74.445,6 10.953,7 0.696,8 3.544,9 3.614,10 3.4,11 3.057,12 4.985,13 3.112,14 3.941,15 4.013,16 3.779,17 3.434,18 5.487,19 3.483,20 4.156,21 4.276,22 3.889,23 3.492,24 5.564,25 3.535,26 4.246,27 4.379,28 3.97,29 3.386,30 5.835,31 3.471,32 4.117,33 4.244,34 3.703,35 3.265,36 5.741,37 3.324,38 3.896,39 3.994,40 3.71,41 3.204,42 5.526,43 3.256,44 3.902,45 4.009,46 3.606,47 3.047,48 5.739,49 3.119,50 3.657,51 3.797,52 2.973,53 2.587,54 5.261,55 2.628,56 0.295,57 0.439,58 1.772,59 1.982,60 22.047,61 1.54,62 0.425,63 0.657,64 2.095,65 3.321,66 53.07,67 2.713,68 0.58,69 0.747,70 7.392,71 4.221,72 53.87,73 3.792,74 0.799,75 0.729,76 9.914,77 4.195,78 68.629,79 3.554,80 0.839,81 0.593,82 11.053,83 4.196,84 95.392,85 3.695,86 0.56,87 0.501,88 6.588,89 3.505,90 61.468,91 2.881,92 0.669,93 0.463,94 8.091,95 3.349,96 88.901,97 2.668,98 0.611,99 0.314,100 10.291,101 2.623,102 70.215,103 1.675,104 18,105 33,106 0.375,107 0.675,108 0.785,109 0.876,110 0.89,111 0.89,112 3.105,113 0.795,114 -3.48,115 -3.46,116 -3.31,120 42.9,143 5,145 5,147 2,167 4,174 3,176 2,182 3,185 3,188 1,189 3,192 1,193 1,194 4,197 1,200 4,201 6,204 3,206 3,209 1,213 4,214 2,217 2,219 1,222 2,227 7,230 1,235 2,240 9,243 3,245 1,247 2,252 7,255 2,260 1,264 2,274 539,275 13.983,276 13.983,277 13.983,278 13.983,279 13.983,280 11.672,281 14.385,282 8.134,283 14.293,284 11.334,285 11.334,286 11.334,287 11.334,288 11.334,289 7.96,290 20.9,291 3.81,292 11.91,293 2.81,294 1.213,295 0.629,296 0.143,297 0.071,298 0.071,299 3.778,303 1,306 1,307 1,308 329,309 2.739,312 44.087,313 110.562,316 78.551,320 0.984,321 32.916,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48.333,333 154,334 4.717,335 3.84,336 6.934,337 4.233,338 3.273,339 4.684,340 2.612,341 11.665,342 3.133,343 4.177,344 3.241,345 6.124,346 3.764,347 2.806,348 3.795,349 0.4,350 8.852,351 2.685,352 4.019,353 3.009,354 5.986,355 3.474,356 2.533,357 3.639,359 8.276,360 2.373,361 3.556,362 2.494,363 5.284,364 3.069,365 2.132,366 2.974,368 6.384,369 1.972,370 3.292,371 2.34,372 4.636,373 2.65,374 1.718,375 2.584,377 4.446,378 1.558,379 2.887,380 1.664,381 4.152,382 2.399,383 1.414,384 2.059,386 3.632,387 1.391,388 2.831,389 1.481,390 3.741,391 2.372,392 1.4,393 1.958,395 2.974,396 1.353,397 2.602,398 1.215,399 3.594,400 2.094,401 1.104,402 1.644,404 2.588,405 1.091,406 2.186,407 1,408 3.438,409 1.648,410 0.744,411 1.051,413 1.939,414 0.639,415 1.563,416 0.949,417 3.086,418 1.166,419 0.218,420 0.28,422 0.547,423 0.206,424 1.268,425 0.505,426 2.736,427 0.812,428 -0.084,429 -0.111,431 -0.212,432 -0.067,433 1,434 0.365,435 2.396,436 0.418,437 -0.477,438 -0.582,440 -1.165,441 -0.39,442 0.831,443 -0.061,444 2,445 0.15,446 -0.821,447 -1.108,449 -2,450 -0.755,451 0.618,452 -0.594,453 1.862,455 -1,456 -1.498,458 -2.046,459 -0.935,460 0.318,461 -0.875,462 1.704,463 -0.144,464 -1.087,465 -1.718,467 -2.762,468 -1,469 9.648,470 0.459,471 0.597,472 0.028,473 32.25,474 1.536,475 18,476 0.857,477 14.25,478 0.679,479 12.096,480 0.576,481 22.152,482 0.791,483 23.099,484 1.1,485 6.562,486 0.312,487 3.513,488 0.167,489 0.178,491 0.404,496 0.558,497 0.888,498 0.498,499 0.609,500 0.647,501 0.632,502 0.626,503 1.346,504 0.57,505 1.043,506 0.477,507 0.945,508 0.79,509 1.251,510 0.888,511 1.147,512 0.718,513 1.07,514 0.895,515 0.937,516 0.822,517 0.979,518 0.958,519 0.936,520 1.031,521 0.704,522 0.948,523 0.82,524 1.365,525 0.892,526 0.916,527 1.072,528 0.893,529 1.145,530 0.959,531 0.997,532 1.06,533 1.072,534 1.142,535 1.152,536 1.012,537 1.083,538 1.837,539 0.81,540 2.105,541 1.114,542 1.867,543 1.323,544 4,546 2.667,547 1.743,548 1.533,549 0.879,550 0.555,551 0.25,552 0.126,553 0.007,554 3822,555 16804,556 2.045,557 25,559 5,562 2,567 1.639,568 1.881,569 2.865,570 0.519,572 1,574 1,575 55.935,576 1.998,577 3.594,578 4.178,579 4.664,580 4.736,581 4.736,582 2.149,583 4.107,584 4.368,585 2.988,586 627.406,587 7.519,588 6526.76,589 1,590 1,591 1,592 1,593 134.606,594 1.51,595 4.305,596 0.174,598 0.081,599 0.051,600 0.046,601 0.033,602 0.022,603 0.011,604 0.011,605 0.003,606 0.433,607 0.5,608 1,609 0.874,610 92.349,611 0.156,612 0.255,613 -0.007,614 0.246,615 -0.061,616 0.102,617 0.055,618 -0.261,619 0.012,620 -0.151,621 0.161,622 -0.139,623 -0.027,624 -0.227,625 0.007,626 -0.21,627 -0.038,628 -0.122,629 0.086,630 0.054,631 0.159,632 -0.052,633 -0.002,634 0.024,635 0.069,636 0.19,637 0.041,638 0.179,639 -0.111,640 0.16,641 0.042,642 -0.154,643 0.179,644 -0.125,645 0.045,647 0.06,648 -0.189,649 0.012,650 -0.14,651 0.255,652 -0.081,653 -0.524,654 -0.004,655 -0.659,656 -0.053,657 -0.471,658 -0.237,659 2.62,660 4.271,661 0.714,662 13.016,663 1.065,664 1.129,665 2.254,666 5.078,667 0.722,668 3.178,669 3.526,670 3.829,671 4.127,672 4.304,673 4.394,674 4.419,675 4.466,676 4.431,677 4.317,678 4.633,679 0.744,680 306.68,681 3.178,682 4.727,683 5.595,684 6.494,685 7.382,686 8.287,687 9.183,688 10.091,689 10.989,690 11.899,691 14.3,699 1,701 2,702 1,708 2,709 5,710 2,712 1,714 5,716 16,729 1,731 1,734 1,737 1,738 28,739 18,740 2,741 23,743 30,744 12,745 12,746 7,747 5,752 3,753 4,754 1,768 12,772 2,775 1,778 2,786 1,789 7,790 7,791 2,792 9,793 1,797 4,803 0.667,804 4,822 1,823 2,826 1,855 2,860 1,862 21,868 1,871 1,885 1,886 14.3,888 1,891 1,892 2,893 11.167,894 5.11,895 4.583,896 1.473,898 3.343,899 1.493,900 0.956,901 3.467,902 10.123,903 3.526,904 4.216,905 4.841,906 5.499,907 6.007,908 6.369,909 6.718,910 7.098,911 7.306,912 7.544,913 0.8,914 34,915 7.688,917 3.416,918 8.347,919 13.644,921 10.963,924 2.847,925 59.778,929 58.856,930 63.44,931 62.874,932 39.149,933 103.391,936 63.44,937 201.395,938 62.874,939 5.67,941 47.381,942 81.877,943 44.031,945 58.856,946 89.896,947 58.856,948 126.314,949 103.391,950 39.149,952 58.856,953 52.644,954 50.747,956 22.299,957 59.152,958 84.012,960 58.856,961 166.265,962 102.589,965 58.856,966 16.059,967 53.051,968 18.011,969 181.733,970 58.856,971 166.265,972 102.589,973 0.589,974 0.354,975 0.2,976 0.104,977 17,978 8,979 0.1,980 3,981 1,982 1.133,983 3.203,984 167.662,985 0.133,986 15,987 90.239,993 13.761,994 5.291,995 2.423,996 0.039,997 160.595,998 7.654,999 7.038,1001 4.499,1003 0.136,1005 60.694,1006 327.71,1007 33,1010 -0.62,1013 22.541,1020 29.807,1021 31.605,1022 0.416,1023 0.748,1024 0.869,1025 0.97,1026 0.985,1027 0.985,1028 4.754,1029 1.104,1030 5.602,1031 2.974,1032 4.205,1033 4.902,1034 2.527,1035 6.463,1036 4.105,1037 6.006,1038 0.744,1039 7.195,1040 2.588,1041 3.892,1042 4.89,1043 2.361,1044 7.483,1045 3.704,1046 7.347,1047 0.218,1048 8.893,1049 1.939,1050 5.838,1051 7.235,1052 4.155,1053 10.622,1054 5.649,1055 8.729,1056 -0.084,1057 10.651,1058 0.547,1059 6.347,1060 8.055,1061 4.506,1062 12.48,1063 6.077,1064 10.142,1065 -0.477,1066 12.449,1067 -0.212,1068 7.789,1069 9.885,1070 5.948,1071 15.148,1072 7.512,1073 11.578,1074 -0.821,1075 14.273,1076 -1.165,1077 8.663,1078 11.083,1079 6.556,1080 17.346,1081 8.318,1082 13.032,1083 -1,1084 16.116,1085 -2,1086 9.919,1087 12.722,1088 7.794,1089 19.864,1090 9.556,1091 3.273,1092 -1.087,1093 17.974,1094 -2.046,1095 10.956,1096 14.097,1097 8.548,1098 22.207,1099 10.535,1100 2.806,1101 11.665,1102 19.843,1103 -2.762,1104 12.147,1105 15.664,1106 9.67,1107 24.676,1108 11.698,1109 2.533,1110 8.852,1111 21.721,1112 4.684,1113 13.257,1114 17.124,1115 10.509,1116 27.081,1117 12.757,1118 2.132,1119 8.276,1120 23.607,1121 3.795,1122 14.429,1123 18.667,1124 11.563,1125 29.537,1126 13.894,1127 1.718,1128 6.384,1129 25.498,1130 3.639,1131 15.572,1132 20.167,1133 12.452,1134 31.97,1135 14.99,1136 1.414,1137 4.446,1138 27.396,1139 2.974,1140 16.741,1141 21.703,1142 13.468,1143 34.423,1144 16.12,1145 1.4,1146 3.632,1147 29.298,1148 2.584,1149 17.901,1150 23.224,1151 14.386,1152 36.868,1153 17.235,1154 3785,1155 8099,1156 15.027,1157 20.222,1158 34.965,1159 36.258,1160 36.561,1161 34.87,1162 34.686,1163 49.334,1164 6.025,1165 102.608,1166 32.8,1167 5.493,1168 5.84,1169 6.622,1170 5.258,1171 5.273,1172 7.684,1173 4.612,1174 19.2,1175 5.133,1176 10.779,1177 1.52,1178 1.576,1179 1.59,1180 1.516,1181 1.508,1182 2.145,1183 0.262,1184 4.461,1185 1.426,1186 4.113,1187 4.135,1188 4.168,1189 3.967,1190 7.815,1191 3.99,1192 3.882,1193 3.907,1194 3.833,1195 3.795,1196 6.999,1197 3.798,1198 3.57,1199 3.587,1200 3.662,1201 3.115,1202 6.469,1203 3.21,1204 3.299,1205 3.34,1206 3.437,1207 3.031,1208 5.397,1209 3.078,1210 2.977,1211 3.018,1212 3.12,1213 2.759,1214 4.782,1215 2.786,1216 2.923,1217 2.967,1218 2.824,1219 2.744,1220 4.651,1221 2.745,1222 2.636,1223 2.667,1224 2.682,1225 2.408,1226 4.235,1227 2.459,1228 2.294,1229 2.356,1230 2.265,1231 1.823,1232 3.727,1233 1.929,1234 0.205,1235 0.167,1236 0.301,1237 0.184,1238 0.142,1239 4.717,1240 0.204,1241 3.84,1242 0.114,1243 6.934,1244 0.507,1245 4.233,1246 0.136,1247 3.273,1248 4.684,1249 2.612,1250 11.665,1251 3.133,1252 1.95,1253 1.93,1254 2.009,1255 2.103,1256 1.137,1257 2.062,1258 1.836,1259 1.815,1260 1.9,1261 1.953,1262 1.018,1263 1.941,1264 1.226,1265 1.209,1266 1.225,1267 1.659,1268 0.275,1269 1.549,1270 1.047,1271 0.99,1272 1.21,1273 1.431,1274 0.156,1275 1.285,1276 0.883,1277 0.84,1278 1.136,1279 1.271,1280 0.131,1281 1.231,1282 0.828,1283 0.805,1284 0.949,1285 1.143,1287 1.131,1288 0.755,1289 0.714,1290 0.81,1291 0.954,1293 0.965,1294 0.353,1295 0.317,1296 0.678,1297 0.744,1299 0.742,1300 3.85,1302 5.187,1303 2.398,1304 6.725,1305 4.595,1306 8.364,1307 6.629,1308 10.059,1311 5.999,1314 9.732,1317 2.759,1326 20.826,1327 55.935,1328 100.632,1329 116.996,1330 130.606,1331 132.606,1332 132.606,1333 43.462,1334 6.78,1335 117,1336 117,1337 17,1338 12.417,1339 4.248,1340 3.459,1341 31.901,1342 57,1343 55,1344 0.278,1345 131.774,1346 219.63,1347 313.289,1348 6836,1349 3.6,1350 14.983,1351 0.713,1352 0.525,1353 15.483,1354 11.034,1355 10.075,1356 0.438,1357 0.265,1358 5.621,1359 9.154,1360 5.545,1361 4.572,1362 10.364,1363 6.096,1364 9.311,1365 0.282,1366 0.137,1367 9.681,1368 4.522,1369 7.733,1370 0.172,1371 0.069,1372 8.065,1373 3.109,1374 6.785,1375 0.111,1376 0.035,1377 7.143,1378 2.129,1379 5.103,1380 0.07,1381 0.018,1382 5.401,1383 1.331,1384 0.415,1385 68.42,1386 0.258,1387 20.202,1388 0.834,1389 112,1390 464.828,1391 144.229,1392 470.589,1393 616.25,1394 430,1395 134,1396 445.285,1397 164.301,1398 444.673,1399 641.34,1400 415,1401 5.458}
{0 CHEMBL1320007,1 1.655,2 11.64,3 3.01,4 9.059,5 101.842,6 8.034,7 0.593,8 3.882,9 4.015,10 3.512,11 3.431,12 5.022,13 3.405,14 4.368,15 4.546,16 3.884,17 3.777,18 5.499,19 3.737,20 4.578,21 4.788,22 3.904,23 3.895,24 5.693,25 3.823,26 4.593,27 4.796,28 3.835,29 3.891,30 5.699,31 3.784,32 4.574,33 4.806,34 3.78,35 3.8,36 5.739,37 3.658,38 4.48,39 4.752,40 3.578,41 3.634,42 5.485,43 3.476,44 4.189,45 4.416,46 3.471,47 3.444,48 5.32,49 3.338,50 4.119,51 4.305,52 3.436,53 3.358,54 5.424,55 3.3,56 0.06,57 0.692,58 8.227,59 3.575,60 6.724,61 4.652,62 0.197,63 1.085,64 16.075,65 5.722,66 19.063,67 7.913,68 0.313,69 1.268,70 23.105,71 7.384,72 34.766,73 9.651,74 0.21,75 1.246,76 22.423,77 8.06,78 33.502,79 10.161,80 0.344,81 1.19,82 25.683,83 8.524,84 53.382,85 10.723,86 0.297,87 1.037,88 24.755,89 8.154,90 34.529,91 10.562,92 0.164,93 0.817,94 18.303,95 5.912,96 24.286,97 7.158,98 0.279,99 0.741,100 15.313,101 4.54,102 44.786,103 5.204,104 18,105 37,106 0.285,107 0.632,108 0.767,109 0.853,110 0.864,111 0.864,112 3.266,113 0.931,114 -4.27,115 -4.2,116 -3.97,120 40.9,121 2,126 1,143 8,144 1,145 1,147 1,153 1,159 1,160 1,162 1,171 1,174 7,176 1,177 6,180 1,181 1,182 3,185 6,189 6,192 1,193 1,194 5,197 3,201 4,206 6,209 4,213 1,217 2,219 6,222 4,226 1,230 2,232 5,235 1,240 3,243 1,245 3,247 2,252 3,255 1,257 2,260 6,264 1,267 1,269 1,271 7,274 924,275 16.87,276 16.87,277 16.87,278 16.87,279 16.87,280 14.69,281 16.227,282 9.978,283 17.276,284 13.254,285 13.254,286 13.254,287 13.254,288 13.254,289 9.851,290 16.229,291 4.657,292 13.869,293 3.804,294 1.79,295 1.006,296 0.506,297 0.443,298 0.443,299 3.946,305 1,306 1,307 1,308 621,309 3.606,312 63.178,313 163.466,316 110.768,320 1.814,321 18.529,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 53.5,333 291,334 4.636,335 3.786,336 6.725,337 4.144,338 3.194,339 4.593,340 1.737,341 10.932,342 3.045,343 4.084,344 3.547,345 6.034,346 3.738,347 2.749,348 3.546,349 0.98,350 8.608,351 2.708,352 3.958,353 3.238,354 5.485,355 3.557,356 2.61,357 3.474,358 0.142,359 7.39,360 2.48,361 3.544,362 2.555,363 5.418,364 3.093,365 2.161,366 2.804,368 6.469,369 2.017,370 3.428,371 2.337,372 4.825,373 2.969,374 2.024,375 2.702,377 5.507,378 1.876,379 3.158,380 1.853,381 4.763,382 2.666,383 1.721,384 2.453,386 4.98,387 1.624,388 2.873,389 1.725,390 4.14,391 2.439,392 1.453,393 2.014,395 3.625,396 1.43,397 2.803,398 1.531,399 3.648,400 2.306,401 1.323,402 1.856,404 2.993,405 1.288,406 2.5,407 1.263,408 3.575,409 2,410 1.027,411 1.5,413 2.369,414 1,415 2.322,416 1.169,417 3.247,418 2,419 1,420 1.269,422 2.136,423 0.996,424 1.721,425 1,426 3,427 1.435,428 0.441,429 0.517,431 0.968,432 0.432,433 1.524,434 0.548,435 2.776,436 1.205,437 0.229,438 0.289,440 0.411,441 0.222,442 1.177,443 0.304,444 2.533,445 0.702,446 -0.219,447 -0.282,449 -0.514,450 -0.196,451 0.889,453 2.289,454 0.522,455 -0.454,456 -0.542,458 -0.975,459 -0.441,460 0.703,461 -0.205,462 2.229,463 0.318,464 -0.684,465 -0.917,467 -1.735,468 -0.671,469 12.167,470 0.487,471 0.592,472 0.024,473 33,474 1.32,475 17,476 0.68,477 16,478 0.64,479 18.884,480 0.755,481 26.233,482 0.596,483 23.632,484 0.945,485 6.706,486 0.268,487 5.373,488 0.215,489 0.178,491 0.321,496 0.828,497 1.19,498 0.663,499 0.854,500 0.626,501 0.871,502 0.688,503 1.219,504 0.663,505 0.94,506 0.523,507 0.908,508 1.145,509 0.996,510 0.982,511 0.912,512 0.925,513 0.901,514 1.32,515 1.19,516 1.071,517 1.084,518 1.306,519 1.142,520 0.94,521 1.075,522 1.118,523 1.15,524 0.995,525 1.11,526 0.804,527 0.867,528 0.937,529 0.924,530 0.965,531 0.872,532 1.176,533 1.042,534 1.177,535 1.121,536 1.217,537 0.924,538 2.414,539 0.936,540 1.201,541 0.908,542 3.011,543 0.918,544 5,545 0.086,546 2.889,547 2.139,548 1.164,549 0.688,550 0.516,551 0.331,552 0.163,553 0.165,554 7704,555 20869,556 2.038,557 43.2,559 10,562 3,563 3,564 3,567 1.674,568 1.899,569 3.504,570 1.005,571 1,572 1,575 72.836,576 1.655,577 3.67,578 4.453,579 4.953,580 5.016,581 5.016,582 2.953,583 4.244,584 4.616,585 3.661,586 1098.44,587 7.952,588 13812.4,590 1,592 1,593 240.215,594 1.44,595 4.569,596 0.185,597 0.005,598 0.078,599 0.058,600 0.036,601 0.025,602 0.022,603 0.015,604 0.008,605 0.009,606 0.442,607 0.17,608 1,609 0.795,610 122.873,611 -0.017,612 -0.051,613 0.019,614 -0.002,615 -0.084,616 0.014,617 0.21,618 -0.142,619 0.119,620 -0.07,621 0.126,622 0.001,623 -0.064,624 0.061,625 -0.051,626 0.014,627 0.005,628 0.02,629 -0.211,630 -0.18,631 -0.146,632 -0.139,633 -0.125,634 -0.203,635 0.132,636 -0.085,637 -0.023,638 -0.114,639 0.139,640 -0.131,641 0.192,642 0.05,643 0.175,644 0.111,645 0.063,646 0.15,647 -0.017,648 -0.034,649 0.011,650 -0.03,651 0.042,652 0.059,653 -0.419,654 0.078,655 -0.159,656 0.05,657 -0.352,658 -0.038,659 1.942,660 5.311,661 0.6,662 23.478,663 1.002,664 1.126,665 3.036,666 9.216,667 0.692,668 3.332,669 3.638,670 3.892,671 4.127,672 4.277,673 4.277,674 4.407,675 4.431,676 4.234,677 4.234,678 6.788,679 0.652,680 353.49,681 3.332,682 4.86,683 5.7,684 6.569,685 7.428,686 8.304,687 9.172,688 10.052,689 10.926,690 11.809,691 11.4,698 3,699 1,701 1,708 2,709 8,710 1,714 3,715 1,716 16,738 44,739 18,740 2,741 27,743 46,744 18,745 13,746 4,747 8,748 1,752 3,753 4,757 1,759 2,768 15,769 3,772 2,778 1,779 1,782 2,785 1,786 1,789 19,790 5,791 3,792 7,793 1,794 1,797 5,801 1,803 0.667,804 1,822 1,823 2,826 1,855 2,857 1,859 2,862 25,869 1,871 3,886 2.3,889 1,893 13.167,894 8.4,895 5.611,896 2.626,898 2.87,899 1.41,900 0.992,901 5.433,902 9.862,903 3.638,904 4.245,905 4.831,906 5.424,907 5.925,908 6.172,909 6.591,910 6.867,911 6.63,912 6.683,913 0.875,914 37,915 9.181,917 3.796,918 7.753,919 17.392,921 13.736,924 2.253,925 56.333,928 1,929 188.338,930 158.306,931 72.472,933 25.145,935 45.192,936 113.114,937 213.483,938 72.472,939 17.65,940 55.893,941 75.81,942 48.963,943 9.986,944 2.429,945 188.338,946 45.192,947 188.338,948 185.586,949 25.145,950 45.192,952 153.024,953 60.458,956 79.914,957 88.886,958 16.786,959 45.192,960 188.338,961 97.617,962 158.306,965 188.338,966 19.653,967 95.359,968 53.787,969 87.122,970 188.338,971 97.617,972 158.306,973 0.576,974 0.34,975 0.183,976 0.095,977 17,978 8,979 0.087,980 4,981 1,982 1.133,983 3.77,984 196.118,985 0.133,986 15,987 112.096,990 1,993 17.547,994 7.74,995 4.044,996 1.822,997 95.718,998 14.952,999 4.502,1003 2.293,1004 2.105,1005 53.787,1006 444.26,1007 37,1013 12.311,1014 5.165,1017 0.037,1020 44.098,1021 49.527,1022 0.303,1023 0.672,1024 0.816,1025 0.907,1026 0.919,1027 0.919,1028 4.852,1029 1.323,1030 5.68,1031 3.625,1032 4.317,1033 4.931,1034 2.084,1035 6.475,1036 4.234,1037 6.066,1038 1.027,1039 7.232,1040 2.993,1041 3.892,1042 4.783,1043 1.305,1044 7.357,1045 3.745,1046 7.377,1047 1,1048 8.884,1049 2.369,1050 5.894,1051 7.169,1052 2.724,1053 10.45,1054 5.728,1055 8.725,1056 0.441,1057 10.596,1058 2.136,1059 6.293,1060 7.87,1061 2.523,1062 12.193,1063 6.067,1064 10.106,1065 0.229,1066 12.346,1067 0.968,1068 7.767,1069 9.741,1070 3.583,1071 14.805,1072 7.52,1073 11.512,1074 -0.219,1075 14.125,1076 0.411,1077 8.555,1078 10.86,1079 3.713,1080 16.918,1081 8.251,1082 12.938,1083 -0.454,1084 15.924,1085 -0.514,1086 9.817,1087 12.519,1088 4.562,1089 19.372,1090 9.486,1091 3.194,1092 -0.684,1093 17.739,1094 -0.975,1095 10.792,1096 13.849,1097 4.876,1098 21.643,1099 10.406,1100 2.749,1101 10.932,1102 19.568,1103 -1.735,1104 11.971,1105 15.421,1106 5.601,1107 24.046,1108 11.551,1109 2.61,1110 8.608,1111 21.408,1112 4.593,1113 13.035,1114 16.852,1115 6.017,1116 26.384,1117 12.56,1118 2.161,1119 7.39,1120 23.257,1121 3.546,1122 14.186,1123 18.391,1124 6.671,1125 28.773,1126 13.67,1127 2.024,1128 6.469,1129 25.114,1130 3.474,1131 15.292,1132 19.87,1133 7.143,1134 31.139,1135 14.724,1136 1.721,1137 5.507,1138 26.978,1139 2.804,1140 16.436,1141 21.397,1142 7.755,1143 33.526,1144 15.823,1145 1.453,1146 4.98,1147 28.848,1148 2.702,1149 17.564,1150 22.899,1151 8.261,1152 35.905,1153 16.899,1154 7473,1155 12465,1156 17.8,1157 30.461,1158 40.212,1159 42.121,1160 41.495,1161 39.995,1162 39.865,1163 54.033,1164 5.718,1165 112.775,1166 38.237,1167 5.553,1168 5.786,1169 6.527,1170 5.188,1171 5.194,1172 7.593,1173 3.075,1174 17.913,1175 5.045,1176 12.731,1177 1.489,1178 1.56,1179 1.537,1180 1.481,1181 1.476,1182 2.001,1183 0.212,1184 4.177,1185 1.416,1186 4.131,1187 4.172,1188 4.103,1189 4.011,1190 7.429,1191 4.027,1192 3.902,1193 3.94,1194 3.953,1195 3.83,1196 5.008,1197 3.823,1198 3.655,1199 3.706,1200 3.738,1201 3.474,1202 4.912,1203 3.488,1204 3.457,1205 3.526,1206 3.556,1207 3.355,1208 4.692,1209 3.288,1210 3.312,1211 3.395,1212 3.17,1213 3.136,1214 4.31,1215 3.116,1216 3.164,1217 3.217,1218 3.067,1219 2.968,1220 4.032,1221 2.975,1222 2.896,1223 2.979,1224 2.791,1225 2.752,1226 4.009,1227 2.739,1228 2.856,1229 2.938,1230 2.734,1231 2.735,1232 3.774,1233 2.715,1234 0.172,1235 0.14,1236 0.249,1237 0.153,1238 0.118,1239 4.636,1240 0.17,1241 3.786,1242 0.064,1243 6.725,1244 0.405,1245 4.144,1246 0.113,1247 3.194,1248 4.593,1249 1.737,1250 10.932,1251 3.045,1252 1.94,1253 1.916,1254 2.022,1255 2.048,1256 1.192,1257 2.041,1258 1.887,1259 1.856,1260 2.009,1261 1.985,1262 1.062,1263 1.996,1264 1.645,1265 1.577,1266 1.857,1267 1.865,1268 0.996,1269 1.861,1270 1.381,1271 1.33,1272 1.662,1273 1.667,1274 0.739,1275 1.638,1276 1.32,1277 1.237,1278 1.447,1279 1.548,1280 0.421,1281 1.589,1282 1.12,1283 1.092,1284 1.24,1285 1.343,1286 0.314,1287 1.326,1288 0.905,1289 0.836,1290 1.181,1291 1.119,1292 0.218,1293 1.146,1294 0.886,1295 0.821,1296 1.161,1297 1.068,1298 0.197,1299 1.107,1300 4.007,1302 5.313,1303 2.398,1304 6.81,1305 4.844,1306 8.392,1307 7.018,1308 10.02,1310 4.026,1315 0.842,1317 8.279,1326 28.697,1327 72.836,1328 161.46,1329 195.95,1330 217.95,1331 220.705,1332 220.705,1333 37.791,1334 6.992,1335 70.98,1336 103.07,1337 17,1338 12.345,1339 4.248,1340 3.459,1341 42.099,1342 102,1343 96,1344 0.2,1345 184.004,1346 308.72,1347 440.731,1348 10058,1350 17.811,1351 0.712,1352 0.594,1353 18.311,1354 14.853,1355 12.08,1356 0.447,1357 0.31,1358 7.906,1359 11.399,1360 7.643,1361 6.4,1362 12.368,1363 8.383,1364 10.682,1365 0.289,1366 0.16,1367 11.09,1368 5.914,1369 8.889,1370 0.185,1371 0.084,1372 9.151,1373 4.043,1374 7.348,1375 0.12,1376 0.046,1377 7.598,1378 2.829,1379 5.586,1380 0.079,1381 0.024,1382 5.836,1383 1.701,1384 0.321,1385 78.205,1386 0.237,1387 24.738,1388 0.525,1389 128,1390 368.885,1391 154.546,1392 386.254,1393 527.33,1394 360,1395 149,1396 383.186,1397 170.308,1398 395.61,1399 575.11,1400 373,1401 6.717}
{0 CHEMBL1320042,1 1.749,2 12.267,3 4.667,4 21.777,5 112.022,6 8.237,7 0.485,8 4.077,9 4.178,10 3.853,11 3.67,12 5.122,13 3.627,14 4.693,15 4.848,16 4.212,17 4.081,18 6.261,19 4.034,20 4.948,21 5.143,22 4.13,23 4.212,24 6.069,25 4.127,26 5.035,27 5.275,28 3.991,29 4.156,30 6.151,31 4.047,32 4.902,33 5.17,34 3.85,35 4.073,36 5.822,37 3.938,38 4.782,39 5.008,40 3.881,41 4.065,42 5.719,43 3.945,44 4.839,45 5.071,46 3.922,47 4.063,48 5.906,49 3.951,50 4.768,51 4.987,52 3.955,53 4.031,54 5.836,55 3.912,56 0.125,57 0.991,58 11.886,59 5.876,60 32.424,61 6.361,62 0.957,63 1.984,64 25.804,65 9.942,66 171.73,67 11.158,68 0.594,69 1.876,70 33.69,71 12.668,72 87.447,73 15.349,74 0.904,75 1.978,76 36.43,77 13.275,78 122.455,79 16.583,80 0.673,81 1.685,82 35.391,83 12.59,84 96.776,85 16.247,86 0.423,87 1.489,88 28.348,89 11.403,90 71.569,91 14.764,92 0.808,93 1.669,94 29.627,95 10.934,96 87.032,97 13.766,98 0.374,99 1.598,100 27.447,101 11.246,102 42.219,103 14.08,104 27,105 49,106 0.289,107 0.56,108 0.722,109 0.802,110 0.82,111 0.82,112 3.44,113 1.063,114 -4.76,115 -4.68,116 -4.39,120 41.5,122 1,126 6,133 1,143 8,144 4,152 1,153 1,174 12,176 1,177 5,185 12,189 6,197 8,200 2,201 4,209 6,213 1,214 2,222 10,227 4,235 13,240 4,247 11,252 4,260 5,263 2,264 4,271 1,274 1586,275 19.574,276 19.574,277 19.574,278 19.574,279 19.574,280 17.401,281 22.659,282 11.188,283 20.336,284 16.295,285 16.295,286 16.295,287 16.295,288 16.295,289 12.858,290 29.25,291 5.33,292 17.584,293 3.979,294 2.341,295 1.363,296 0.882,297 0.769,298 0.769,299 4.132,306 1,307 1,308 789,309 3.937,312 68.913,313 275.9,316 129.634,320 2.151,321 47.905,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 67.5,333 368,334 4.685,335 5.127,336 7.111,337 4.182,338 3.314,339 4.603,340 3.825,341 11.657,342 3.111,343 4.641,344 4.46,345 6.753,346 4.158,347 3.21,348 4.474,349 2.95,350 11.09,351 2.878,352 4.438,353 3.294,354 6.711,355 4.061,356 3.194,357 3.834,358 0.8,359 10.89,360 2.708,361 3.843,362 2.809,363 5.643,364 3.496,365 2.522,366 3.194,367 0.522,368 7.57,369 2.43,370 3.522,371 2.722,372 5.331,373 3.322,374 2.397,375 2.83,377 6.894,378 2.214,379 3.374,380 2.427,381 5.25,382 3.025,383 2.063,384 2.666,386 6.448,387 1.977,388 3.297,389 2.269,390 4.842,391 2.849,392 1.883,393 2.403,395 5.294,396 1.805,397 2.916,398 2.044,399 4.562,400 2.499,401 1.566,402 2.033,404 4.591,405 1.42,406 2.694,407 1.812,408 3.802,409 2.23,410 1.238,411 1.781,413 2.831,414 1.227,415 2.5,416 1.284,417 3.737,418 2.019,419 1.038,420 1.5,422 2.625,423 1.015,424 2.411,425 1.115,426 3.591,427 2,428 1,429 1.379,431 2.372,432 1,433 2,434 1,435 3.414,436 1.938,437 1,438 1,440 2.275,441 0.924,442 1.824,443 0.738,444 3.218,445 1.62,446 0.641,447 0.732,449 1.543,450 0.626,451 1.302,452 0.51,453 2.961,454 1.01,455 0.043,456 0.051,458 0.112,459 0.041,460 1.184,461 0.51,462 2.738,463 0.896,464 -0.077,465 -0.092,467 -0.191,468 -0.075,469 14.157,470 0.472,471 1.047,472 0.035,473 36.25,474 1.208,475 17,476 0.567,477 19.25,478 0.642,479 26.592,480 0.886,481 33.843,482 0.639,483 29.374,484 0.979,485 6.993,486 0.233,487 7.218,488 0.241,489 0.108,490 0.094,491 0.233,493 3,496 0.485,497 1.052,498 0.758,499 1.192,500 0.567,501 0.988,502 0.498,503 0.783,504 1.014,505 1.066,506 0.377,507 0.976,508 0.723,509 0.896,510 1.03,511 1.118,512 0.683,513 1.124,514 0.864,515 0.886,516 0.876,517 0.877,518 0.834,519 1.071,520 0.605,521 0.706,522 0.822,523 0.82,524 0.533,525 0.905,526 0.421,527 0.729,528 0.799,529 0.97,530 0.43,531 1.035,532 0.738,533 0.65,534 0.892,535 0.795,536 0.745,537 1.007,538 0.512,539 0.942,540 0.856,541 1.142,542 0.463,543 1.168,544 8.5,545 0.186,546 4,547 2.201,548 1.343,549 1.039,550 0.587,551 0.426,552 0.438,553 0.487,554 12430,555 43569,556 2.051,557 43.4,559 20,560 1,564 2,567 1.727,568 1.895,569 3.566,570 -0.726,575 92.675,576 1.749,577 3.386,578 4.364,579 4.846,580 4.959,581 4.959,582 3.07,583 4.348,584 4.874,585 3.784,586 1646.07,587 8.498,588 23437.9,590 1,593 303.58,594 1.665,595 4.813,596 0.258,597 0.007,598 0.082,599 0.048,600 0.035,601 0.03,602 0.016,603 0.012,604 0.013,605 0.015,606 0.514,607 0.33,608 1,609 0.758,610 155.747,611 0.034,612 -0.086,613 0.166,614 -0.039,615 -0.079,616 0.019,617 0.317,618 0.237,619 -0.041,620 -0.009,621 0.394,622 -0.018,623 -0.069,624 -0.128,625 -0.148,626 -0.157,627 -0.023,628 -0.135,629 -0.061,630 -0.056,631 -0.077,632 -0.032,633 -0.052,634 -0.094,635 0.007,636 0.076,637 0.063,638 0.097,639 0.01,640 0.131,641 0.036,642 -0.063,643 0.024,644 -0.034,645 0.011,646 0.006,647 -0.01,648 0.198,649 -0.074,650 0.088,651 -0.071,652 -0.029,653 0.04,654 -0.165,655 0.025,656 -0.167,657 0.055,658 -0.136,659 5.584,660 4.796,661 0.7,662 32.991,663 1.02,664 1.138,665 3.534,666 12.488,667 0.67,668 3.526,669 3.912,670 4.111,671 4.344,672 4.595,673 4.663,674 4.771,675 4.934,676 5.063,677 5.236,678 7.386,679 0.644,680 436.54,681 3.526,682 5.106,683 5.948,684 6.847,685 7.709,686 8.607,687 9.478,688 10.375,689 11.252,690 12.149,691 3.8,694 1,699 1,708 2,709 9,714 3,715 1,716 16,738 53,739 18,740 2,741 33,743 56,744 22,745 14,746 4,747 8,752 4,753 5,759 1,765 1,766 1,768 14,769 8,772 2,776 1,778 2,786 1,787 3,789 23,790 6,792 8,793 1,797 2,803 0.75,804 2,818 1,822 1,823 3,826 1,851 1,855 3,857 1,861 3,862 30,865 1,869 7,875 1,876 1,885 3,886 3.8,889 2,893 15.833,894 9.329,895 6.25,896 3.172,898 3.156,899 1.405,900 1.018,901 5.762,902 10.95,903 3.784,904 4.44,905 4.928,906 5.497,907 6.022,908 6.301,909 6.701,910 7.109,911 7.372,912 7.776,913 1,914 46,915 11.687,917 5.64,918 8.2,919 21.122,921 18.293,924 2.7,925 81,928 1,929 270.735,930 125.693,931 5.023,933 44.313,934 44.88,935 6.046,936 119.647,937 315.048,938 49.904,940 12.757,941 90.903,942 44.313,943 62.033,944 13.915,945 258.964,946 7.76,947 270.735,948 124.671,949 89.193,950 6.046,952 247.193,953 112.735,956 25.54,957 99.131,958 6.046,960 315.616,961 49.336,962 125.693,964 6.046,965 278.495,966 27.031,967 89.881,969 89.193,970 270.735,971 94.217,972 125.693,973 0.603,974 0.328,975 0.161,976 0.092,977 25,978 11,979 0.089,980 5,981 1,982 1.095,983 4.14,984 266.085,985 0.095,986 21,987 132.452,992 1,993 21.116,994 8.186,995 4.97,996 2.155,997 92.318,998 15.316,1003 1.315,1004 2.063,1006 490.645,1007 43,1011 -2.892,1013 23.211,1020 54.076,1021 60.337,1022 0.305,1023 0.591,1024 0.762,1025 0.846,1026 0.866,1027 0.866,1028 5.063,1029 1.566,1030 6.009,1031 5.294,1032 4.595,1033 5.127,1034 3.683,1035 6.88,1036 4.452,1037 6.323,1038 1.238,1039 7.619,1040 4.591,1041 4.511,1042 5.286,1043 3.911,1044 8.184,1045 4.164,1046 7.691,1047 1.038,1048 9.342,1049 2.831,1050 6.34,1051 7.465,1052 5.935,1053 11.126,1054 6.018,1055 9.097,1056 1,1057 11.132,1058 2.625,1059 7.013,1060 8.404,1061 6.69,1062 13.171,1063 6.485,1064 10.536,1065 1,1066 12.963,1067 2.372,1068 8.41,1069 10.155,1070 8.407,1071 15.743,1072 7.876,1073 11.997,1074 0.641,1075 14.822,1076 2.275,1077 9.382,1078 11.416,1079 9.389,1080 18.037,1081 8.678,1082 13.474,1083 0.043,1084 16.699,1085 1.543,1086 10.633,1087 13.015,1088 10.957,1089 20.506,1090 9.889,1091 3.314,1092 -0.077,1093 18.59,1094 0.112,1095 11.726,1096 14.415,1097 12.074,1098 22.886,1099 10.848,1100 3.21,1101 11.657,1102 20.492,1103 -0.191,1104 12.927,1105 15.957,1106 13.555,1107 25.325,1108 11.988,1109 3.194,1110 11.09,1111 22.401,1112 4.603,1113 14.07,1114 17.417,1115 14.758,1116 27.735,1117 13.022,1118 2.522,1119 10.89,1120 24.316,1121 4.474,1122 15.254,1123 18.939,1124 16.184,1125 30.167,1126 14.136,1127 2.397,1128 7.57,1129 26.236,1130 3.834,1131 16.417,1132 20.427,1133 17.441,1134 32.589,1135 15.208,1136 2.063,1137 6.894,1138 28.16,1139 3.194,1140 17.597,1141 21.941,1142 18.834,1143 35.019,1144 16.315,1145 1.883,1146 6.448,1147 30.088,1148 2.83,1149 18.769,1150 23.442,1151 20.124,1152 37.446,1153 17.406,1154 11920,1155 22543,1156 21.553,1157 35.517,1158 50.409,1159 51.449,1160 50.722,1161 50.6,1162 50.22,1163 64.963,1164 16.194,1165 152.387,1166 46.754,1167 5.685,1168 7.127,1169 6.79,1170 5.326,1171 5.314,1172 7.603,1173 6.775,1174 18.72,1175 5.111,1176 16.806,1177 1.528,1178 1.559,1179 1.537,1180 1.533,1181 1.522,1182 1.969,1183 0.491,1184 4.618,1185 1.417,1186 4.164,1187 4.196,1188 4.733,1189 4.087,1190 8.513,1191 4.082,1192 4.047,1193 4.029,1194 4.116,1195 4.033,1196 7.999,1197 3.91,1198 3.92,1199 3.945,1200 3.877,1201 3.855,1202 7.999,1203 3.853,1204 3.558,1205 3.6,1206 3.498,1207 3.432,1208 7.713,1209 3.416,1210 3.457,1211 3.509,1212 3.419,1213 3.263,1214 6.999,1215 3.271,1216 3.296,1217 3.337,1218 3.266,1219 3.087,1220 4.927,1221 3.096,1222 3.111,1223 3.206,1224 3.012,1225 2.941,1226 4.674,1227 2.91,1228 3.104,1229 3.16,1230 2.866,1231 2.875,1232 4.294,1233 2.885,1234 0.142,1235 0.155,1236 0.215,1237 0.127,1238 0.1,1239 4.685,1240 0.139,1241 5.127,1242 0.116,1243 7.111,1244 0.353,1245 4.182,1246 0.094,1247 3.314,1248 4.603,1249 3.825,1250 11.657,1251 3.111,1252 1.968,1253 1.945,1254 2.064,1255 2.065,1256 1.438,1257 2.101,1258 1.927,1259 1.927,1260 2.022,1261 2.049,1262 1.237,1263 2.063,1264 1.895,1265 1.881,1266 1.951,1267 1.974,1268 1.195,1269 1.987,1270 1.642,1271 1.599,1272 1.771,1273 1.799,1274 1.031,1275 1.811,1276 1.376,1277 1.324,1278 1.557,1279 1.593,1280 0.825,1281 1.601,1282 1.159,1283 1.127,1284 1.513,1285 1.41,1286 0.779,1287 1.429,1288 1.153,1289 1.064,1290 1.288,1291 1.376,1292 0.551,1293 1.378,1294 1.003,1295 0.961,1296 1.181,1297 1.279,1298 0.366,1299 1.256,1300 4.205,1302 5.572,1303 2.398,1304 7.116,1305 4.844,1306 8.732,1307 7.034,1308 10.386,1312 38.389,1315 3.607,1321 2.17,1322 -4.334,1326 34.131,1327 92.675,1328 179.483,1329 231.315,1330 256.825,1331 262.825,1332 262.825,1333 70.477,1334 7.794,1335 42.31,1336 50.69,1337 23,1338 12.677,1339 4.248,1340 3.459,1341 47.124,1342 131,1343 126,1344 0.173,1345 208.043,1346 364.84,1347 499.385,1348 27014,1349 5.7,1350 21.355,1351 0.712,1352 0.574,1353 19.105,1354 17.215,1355 14.211,1356 0.431,1357 0.354,1358 9.868,1359 12.807,1360 9.542,1361 7.766,1362 13.853,1363 11.69,1364 14.372,1365 0.293,1366 0.205,1367 13.747,1368 10.041,1369 10.803,1370 0.18,1371 0.121,1372 10.688,1373 7.249,1374 8.59,1375 0.113,1376 0.068,1377 8.548,1378 5.178,1379 7.255,1380 0.074,1381 0.043,1382 7.76,1383 4.207,1384 0.275,1385 98.24,1386 0.215,1387 28.596,1388 0.466,1389 164,1390 637.955,1391 222.473,1392 555.634,1393 718.67,1394 510,1395 191,1396 474.664,1397 249.692,1398 492.447,1399 732.87,1400 460,1401 4.339}
{0 CHEMBL1320470,1 1.481,2 10.594,3 2.224,4 4.944,5 123.021,6 7.072,7 0.182,8 4.216,9 4.315,10 3.712,11 3.645,12 5.355,13 3.642,14 4.752,15 4.92,16 3.991,17 3.962,18 5.852,19 3.944,20 4.862,21 5.021,22 4.141,23 4.143,24 5.948,25 4.114,26 5.037,27 5.201,28 4.249,29 4.24,30 6.247,31 4.204,32 5.183,33 5.375,34 4.188,35 4.283,36 6.319,37 4.223,38 5.161,39 5.372,40 4.251,41 4.317,42 6.286,43 4.244,44 5.24,45 5.439,46 4.306,47 4.341,48 6.337,49 4.295,50 5.253,51 5.437,52 4.341,53 4.348,54 6.406,55 4.3,56 0.087,57 0.796,58 13.955,59 6.204,60 13.096,61 7.753,62 0.722,63 1.177,64 27.12,65 9.101,66 55.651,67 11.87,68 0.622,69 1.409,70 29.144,71 10.606,72 45.364,73 13.983,74 0.63,75 1.594,76 34.992,77 12.695,78 73.895,79 16.667,80 1.061,81 1.722,82 42.601,83 13.768,84 110.627,85 18.354,86 0.87,87 1.784,88 40.594,89 14.251,90 98.052,91 19.856,92 0.904,93 1.839,94 44.795,95 14.532,96 98.887,97 19.568,98 1.161,99 1.857,100 45.269,101 14.76,102 102.978,103 19.855,104 75,105 43,106 0.24,107 0.565,108 0.747,109 0.83,110 0.851,111 0.866,112 3.503,113 0.93,114 -2.28,115 -2.32,116 -2.29,120 38.1,121 2,123 1,125 3,126 4,136 2,137 2,139 1,140 1,143 4,144 1,145 1,157 1,159 1,174 9,176 1,177 9,180 1,182 1,185 12,188 2,189 7,194 1,197 10,200 3,201 12,204 1,206 3,209 11,213 1,214 7,217 1,219 1,222 7,226 2,227 11,230 2,232 2,235 7,239 2,240 10,245 1,247 4,251 4,252 12,255 1,257 2,260 4,263 3,264 8,267 1,269 1,271 2,274 2168,275 21.596,276 21.596,277 21.596,278 21.596,279 21.596,280 19.751,281 26.528,282 13.313,283 22.413,284 16.125,285 16.125,286 16.125,287 16.125,288 16.125,289 13.254,290 27.543,291 6.093,292 17.091,293 4.496,294 2.493,295 1.366,296 0.854,297 0.727,298 0.631,299 4.168,306 1,307 1,308 677,309 4.528,313 232.332,320 1.568,321 41.578,324 1,325 0.83,326 0.83,327 1,328 1,329 0.83,330 0.5,331 0.86,332 71.5,333 339,334 4.618,335 3.865,336 7.008,337 4.284,338 3.294,339 4.09,340 1.674,341 11.913,342 3.26,343 4.212,344 3.464,345 6.298,346 3.805,347 2.834,348 3.835,349 1.36,350 9.205,351 2.751,352 4.105,353 3.038,354 6.13,355 3.693,356 2.704,357 3.489,358 1.216,359 8.981,360 2.668,361 3.515,362 2.884,363 5.188,364 3.093,365 2.143,366 2.686,367 1.045,368 6.097,369 2.029,370 3.273,371 2.661,372 4.968,373 2.938,374 1.973,375 2.401,376 0.86,377 5.418,378 1.898,379 3.09,380 2.398,381 4.701,382 2.764,383 1.83,384 2.142,385 0.86,386 4.689,387 1.702,388 2.917,389 2.263,390 4.395,391 2.565,392 1.625,393 2.085,394 0.86,395 4.234,396 1.528,397 2.866,398 2.162,399 3.682,400 2.457,401 1.516,402 1.925,403 0.391,404 3.079,405 1.435,406 2.615,407 1.917,408 3.642,409 2.415,410 1.491,411 1.601,413 2.979,414 1.359,415 2.603,416 1.632,417 3.617,418 2.405,419 1.451,420 1.583,422 2.964,423 1.347,424 2.268,425 1.514,426 3.342,427 1.745,428 0.8,429 1.064,431 1.784,432 0.748,433 1.783,434 1.406,435 3.197,436 1.563,437 0.707,438 0.732,440 1.269,441 0.599,442 1.742,443 0.961,444 2.943,445 1.489,446 0.598,447 0.662,449 1.039,450 0.528,451 1.646,452 0.933,453 2.668,454 1.328,455 0.43,456 0.502,458 0.69,459 0.382,460 1.24,461 0.766,462 2.578,463 1.055,464 0.072,465 0.078,467 0.163,468 0.07,469 14.733,470 0.46,471 0.648,472 0.02,473 34,474 1.063,475 14,476 0.438,477 20,478 0.625,479 33.051,480 1.033,481 37.467,482 0.595,483 31.974,484 0.999,485 7.7,486 0.241,487 7.738,488 0.242,489 0.215,491 0.305,496 0.88,497 1.454,498 0.843,499 1.371,500 0.795,501 1.14,502 1.237,503 0.889,504 0.931,505 0.793,506 0.79,507 0.792,508 0.978,509 1.051,510 0.952,511 1.002,512 0.917,513 0.965,514 1.01,515 1.223,516 0.992,517 1.229,518 1.284,519 1.129,520 1.284,521 1.002,522 1.135,523 0.985,524 1.601,525 1.02,526 0.654,527 1.085,528 0.841,529 1.068,530 0.765,531 1.004,532 1.203,533 1.006,534 1,535 0.991,536 1.485,537 0.953,538 1.081,539 1.147,540 1.029,541 1.113,542 1.076,543 1.069,544 5,545 0.091,546 3.556,547 2.938,548 2.018,549 1.437,550 0.898,551 0.859,552 0.551,553 0.301,554 11309,555 33845,556 1.926,557 49.2,558 1,559 23,562 1,563 3,564 3,567 1.756,568 1.778,569 3.332,570 -0.341,572 1,575 93.298,576 1.481,577 3.484,578 4.612,579 5.124,580 5.251,581 5.346,582 2.827,583 4.313,584 4.963,585 3.546,586 1758.94,587 8.753,588 25732.6,590 1,593 376.569,594 1.494,595 4.911,596 0.152,597 0.004,598 0.083,599 0.059,600 0.038,601 0.029,602 0.017,603 0.015,604 0.01,605 0.008,606 0.414,607 0.33,608 0.88,609 1.956,610 166.004,611 -0.046,612 -0.209,613 0.046,614 -0.159,615 -0.075,616 -0.054,617 -0.062,618 0.173,619 0.068,620 0.242,621 0.03,622 0.192,623 -0.017,624 0.099,625 -0.004,626 0.077,627 -0.076,628 0.05,629 -0.001,630 -0.124,631 -0.033,632 -0.162,633 0.033,634 -0.119,635 -0.128,636 0.009,637 -0.131,638 0.015,639 -0.157,640 -0.048,641 0.166,642 -0.035,643 0.103,644 -0.036,645 0.212,646 0.013,647 -0.112,648 0.016,649 -0.004,650 0.005,651 -0.147,652 0.023,653 0.052,654 -0.123,655 -0.031,656 -0.105,657 0.047,658 -0.092,659 2.201,660 5.935,661 0.375,662 34.594,663 1.01,664 1.13,665 1.053,666 1.11,667 0.629,668 3.526,669 3.784,670 4.043,671 4.29,672 4.443,673 4.543,674 4.585,675 4.682,676 4.673,677 4.644,678 6.654,679 0.602,680 445.56,681 3.526,682 5.03,683 5.861,684 6.725,685 7.584,686 8.467,687 9.34,688 10.232,689 11.114,690 12.012,691 1.6,700 1,709 4,714 2,716 6,735 1,738 63,739 11,740 1,741 33,743 64,744 24,745 6,746 2,747 4,748 8,752 2,753 2,759 2,764 1,768 14,769 10,770 1,772 5,778 1,780 2,781 1,782 6,786 1,789 31,790 8,791 1,792 8,797 1,803 1,804 7,823 2,834 1,841 1,845 3,846 2,853 1,854 3,855 2,859 5,862 32,868 1,869 4,872 5,874 1,886 11.1,888 1,889 1,890 3,891 2,893 18,894 12.733,895 7.611,896 3.435,898 2.725,899 1.382,900 0.883,901 10.637,902 9.857,903 3.738,904 4.227,905 4.743,906 5.241,907 5.68,908 5.922,909 6.231,910 6.539,911 6.812,912 7.087,913 1,914 50,915 11.867,917 4.766,918 7.88,919 22.143,921 16.651,924 2.38,925 76.167,929 353.133,930 154.051,931 16.786,933 122.828,936 154.051,937 475.961,938 16.786,939 50.3,940 18.37,941 56.857,942 113.533,943 54.605,945 353.133,947 353.133,948 170.837,949 122.828,952 317.82,953 125.141,954 33,956 52.805,957 96.322,958 21.709,960 353.133,961 139.613,962 154.051,965 353.133,966 46.894,967 107.157,969 139.613,970 353.133,971 139.613,972 154.051,973 0.553,974 0.33,975 0.183,976 0.095,977 15,978 9,979 0.188,980 12,982 1,983 4.04,984 278.147,986 12,987 160,993 25.816,994 13.185,995 7.032,997 139.613,998 7.497,1003 1.5,1005 42.683,1006 646.798,1007 41,1013 12.935,1015 3.637,1016 4.46,1017 0.903,1020 63.647,1021 71.192,1022 0.248,1023 0.583,1024 0.772,1025 0.857,1026 0.878,1027 0.894,1028 4.959,1029 1.516,1030 5.826,1031 4.234,1032 4.466,1033 4.913,1034 2.958,1035 6.64,1036 4.383,1037 6.14,1038 1.491,1039 7.388,1040 3.079,1041 4.007,1042 4.663,1043 1.06,1044 7.633,1045 3.958,1046 7.442,1047 1.451,1048 9.065,1049 2.979,1050 6.038,1051 7.018,1052 3.423,1053 10.779,1054 5.921,1055 8.786,1056 0.8,1057 10.812,1058 2.964,1059 6.463,1060 7.623,1061 1.679,1062 12.653,1063 6.38,1064 10.169,1065 0.707,1066 12.604,1067 1.784,1068 7.941,1069 9.44,1070 4.145,1071 15.329,1072 7.815,1073 11.578,1074 0.598,1075 14.428,1076 1.269,1077 8.779,1078 10.436,1079 2.248,1080 17.549,1081 8.671,1082 13.008,1083 0.43,1084 16.274,1085 1.039,1086 10.05,1087 12.027,1088 5.014,1089 20.076,1090 9.916,1091 3.294,1092 0.072,1093 18.137,1094 0.69,1095 11.074,1096 13.211,1097 2.825,1098 22.439,1099 10.945,1100 2.834,1101 11.913,1102 20.013,1103 0.163,1104 12.27,1105 14.697,1106 5.96,1107 24.92,1108 12.126,1109 2.704,1110 9.205,1111 21.899,1112 4.09,1113 13.377,1114 15.976,1115 3.415,1116 27.344,1117 13.229,1118 2.143,1119 8.981,1120 23.793,1121 3.835,1122 14.551,1123 17.411,1124 6.945,1125 29.814,1126 14.393,1127 1.973,1128 6.097,1129 25.693,1130 3.489,1131 15.694,1132 18.74,1133 4.015,1134 32.265,1135 15.53,1136 1.83,1137 5.418,1138 27.599,1139 2.686,1140 16.866,1141 20.151,1142 7.949,1143 34.735,1144 16.693,1145 1.625,1146 4.689,1147 29.51,1148 2.401,1149 18.027,1150 21.507,1151 4.622,1152 37.198,1153 17.847,1154 11735,1155 20411,1156 20.978,1157 39.608,1158 47.716,1159 48.676,1160 50.589,1161 46.838,1162 46.937,1163 57.749,1164 16.532,1165 129.008,1166 44.61,1167 5.554,1168 5.865,1169 6.918,1170 5.334,1171 5.294,1172 7.09,1173 3.349,1174 19.47,1175 5.26,1176 19.706,1177 1.446,1178 1.475,1179 1.533,1180 1.419,1181 1.422,1182 1.75,1183 0.501,1184 3.909,1185 1.352,1186 4.007,1187 4.028,1188 3.963,1189 3.926,1190 7.433,1191 3.93,1192 3.878,1193 3.899,1194 3.828,1195 3.792,1196 6.473,1197 3.798,1198 3.615,1199 3.639,1200 3.521,1201 3.372,1202 4.888,1203 3.399,1204 3.572,1205 3.615,1206 3.427,1207 3.318,1208 4.766,1209 3.334,1210 3.391,1211 3.433,1212 3.273,1213 3.256,1214 4.663,1215 3.248,1216 3.37,1217 3.425,1218 3.252,1219 3.209,1220 4.653,1221 3.211,1222 3.249,1223 3.314,1224 3.08,1225 2.972,1226 4.402,1227 2.982,1228 3.21,1229 3.257,1230 3.061,1231 2.936,1232 4.355,1233 2.951,1234 0.14,1235 0.117,1236 0.212,1237 0.13,1238 0.1,1239 4.618,1240 0.124,1241 3.865,1242 0.051,1243 7.008,1244 0.361,1245 4.284,1246 0.099,1247 3.294,1248 4.09,1249 1.674,1250 11.913,1251 3.26,1252 1.953,1253 1.933,1254 2.049,1255 2.051,1256 1.246,1257 2.048,1258 1.852,1259 1.831,1260 1.956,1261 1.964,1262 1.074,1263 1.962,1264 1.52,1265 1.486,1266 1.774,1267 1.804,1268 0.985,1269 1.79,1270 1.486,1271 1.437,1272 1.763,1273 1.771,1274 0.977,1275 1.767,1276 1.378,1277 1.323,1278 1.647,1279 1.574,1280 0.743,1281 1.59,1282 1.358,1283 1.308,1284 1.616,1285 1.542,1286 0.704,1287 1.568,1288 1.197,1289 1.124,1290 1.572,1291 1.509,1292 0.574,1293 1.531,1294 1.135,1295 1.071,1296 1.515,1297 1.448,1298 0.559,1299 1.463,1300 4.205,1302 5.476,1304 6.957,1306 8.553,1308 10.216,1310 8.154,1314 10.707,1315 0.831,1318 26.187,1320 -0.644,1326 37.927,1327 93.298,1328 219.51,1329 290.53,1330 322.794,1331 330.794,1332 336.794,1333 98.778,1334 7.132,1335 95.81,1336 95.81,1337 12,1338 12.54,1339 3.585,1340 3.17,1341 75.922,1342 116,1343 158,1344 0.298,1345 237.549,1346 439.55,1347 571.379,1348 10794,1350 23.51,1351 0.735,1352 0.6,1353 23.51,1354 19.214,1355 15.438,1356 0.468,1357 0.31,1358 9.979,1359 14.484,1360 9.576,1361 8.029,1362 15.438,1363 10.227,1364 12.745,1365 0.296,1366 0.162,1367 12.745,1368 6.964,1369 10.348,1370 0.185,1371 0.086,1372 10.348,1373 4.841,1374 8.778,1375 0.122,1376 0.046,1377 8.778,1378 3.32,1379 6.216,1380 0.074,1381 0.024,1382 6.216,1383 2.026,1384 0.455,1385 99.539,1386 0.218,1387 29.512,1388 0.858,1389 152,1390 560.208,1391 173.095,1392 508.467,1393 668.95,1394 478,1395 175,1396 453.393,1397 194.827,1398 458.461,1399 663.95,1400 423,1401 4.34}
{0 CHEMBL1320794,1 1.595,2 11.12,3 5.082,4 25.824,5 107.722,6 7.783,7 0.407,8 3.941,9 4.064,10 3.592,11 3.573,12 4.961,13 3.489,14 4.495,15 4.675,16 4.045,17 3.985,18 5.492,19 3.877,20 4.76,21 4.961,22 3.996,23 4.144,24 5.736,25 3.977,26 4.865,27 5.124,28 4.043,29 4.077,30 5.869,31 3.874,32 4.605,33 4.862,34 3.698,35 3.824,36 5.557,37 3.631,38 4.36,39 4.609,40 3.71,41 3.664,42 5.353,43 3.493,44 4.191,45 4.355,46 3.714,47 3.616,48 5.416,49 3.476,50 4.286,51 4.483,52 3.467,53 3.557,54 5.445,55 3.415,56 0.039,57 0.696,58 10.329,59 4.706,60 6.676,61 6.131,62 0.226,63 1.19,64 21.996,65 8.259,66 22.067,67 11.176,68 0.162,69 1.476,70 31.394,71 12.066,72 30.069,73 14.861,74 0.381,75 1.58,76 42.149,77 13.58,78 61.056,79 16.414,80 0.239,81 1.219,82 29.041,83 9.86,84 35.813,85 12.077,86 0.228,87 0.975,88 23.906,89 8.045,90 29.849,91 9.674,92 0.127,93 0.89,94 21.564,95 7.081,96 24.922,97 7.506,98 0.336,99 0.905,100 23.641,101 6.752,102 49.522,103 7.054,104 27,105 39,106 0.273,107 0.605,108 0.723,109 0.766,110 0.78,111 0.78,112 3.266,113 1.085,114 -5.01,115 -4.91,116 -4.6,120 39.6,121 3,122 4,124 1,143 4,144 2,147 1,153 1,159 1,160 1,163 1,174 13,177 3,180 2,181 1,182 2,185 17,189 4,194 2,197 14,201 3,204 2,206 6,209 8,214 1,219 5,222 3,226 1,227 3,232 5,235 1,240 5,245 6,247 2,252 4,257 1,260 4,264 3,269 3,271 7,274 899,275 16.212,276 16.212,277 16.212,278 16.212,279 16.212,280 14.686,281 21.464,282 9.389,283 16.638,284 13.34,285 13.34,286 13.34,287 13.34,288 13.34,289 10.833,290 24.148,291 4.477,292 14.091,293 3.99,294 2.047,295 1.36,296 1.11,297 1.027,298 1.027,299 3.941,306 1,307 1,308 593,309 4.062,312 60.203,313 169.296,316 117.038,320 1.814,321 19.469,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 52.5,333 278,334 4.449,335 3.842,336 7.111,337 4.315,338 3.315,339 4.005,340 1.773,341 11.658,342 3.315,343 4.346,344 3.545,345 6.247,346 3.902,347 2.993,348 3.889,349 0.99,350 9.493,351 2.791,352 4.11,353 3.455,354 6.042,355 3.793,356 2.798,357 3.428,358 0.14,359 8.649,360 2.721,361 3.668,362 3.161,363 5.337,364 3.265,365 2.368,366 2.894,368 6.868,369 2.1,370 3.261,371 2.268,372 4.802,373 2.874,374 1.932,375 2.447,377 5.391,378 1.83,379 3.096,380 2.163,381 4.62,382 2.652,383 1.707,384 2.219,386 4.792,387 1.581,388 2.77,389 1.871,390 4.414,391 2.461,392 1.532,393 1.836,395 4.312,396 1.405,397 2.61,398 1.494,399 3.942,400 2.329,401 1.357,402 1.565,404 3.073,405 1.308,406 2.5,407 1.399,408 3.598,409 2.097,410 1.101,411 1.5,413 2.863,414 1.076,415 2.442,416 1,417 3.414,418 2,419 1,420 1.433,422 2.275,423 1,424 1.574,425 0.929,426 3,427 1.241,428 0.347,429 0.417,431 0.86,432 0.304,433 1.036,434 0.381,435 2.886,436 0.751,437 -0.169,438 -0.192,440 -0.479,441 -0.153,442 1,443 0.376,444 2.663,445 0.51,446 -0.462,447 -0.592,449 -1.131,450 -0.415,451 0.917,452 -0.217,453 2.195,454 0.316,455 -0.629,456 -0.871,458 -1.424,459 -0.607,460 0.5,461 -0.508,462 2,463 0.088,464 -0.856,465 -1,467 -2.071,468 -0.79,469 12.7,470 0.508,471 0.846,472 0.034,473 28.25,474 1.13,475 13,476 0.52,477 15.25,478 0.61,479 25.266,480 1.011,481 26.9,482 0.56,483 18.24,484 0.73,485 4.772,486 0.191,487 7.053,488 0.282,489 0.21,490 0.039,491 0.276,496 0.772,497 1.119,498 0.703,499 0.838,500 0.611,501 0.917,502 0.368,503 1.039,504 0.634,505 0.889,506 0.416,507 0.877,508 0.927,509 1.216,510 1.075,511 1.154,512 0.867,513 1.168,514 0.868,515 1.004,516 0.855,517 0.962,518 0.879,519 0.946,520 1.299,521 0.982,522 0.971,523 0.896,524 1.223,525 0.929,526 0.866,527 0.881,528 0.865,529 0.849,530 0.874,531 0.754,532 1.698,533 1.388,534 1.534,535 1.408,536 1.732,537 1.083,538 3.206,539 0.816,540 1.635,541 1.018,542 3.471,543 0.954,544 7,545 0.094,546 3.111,547 2.167,548 0.964,549 0.969,550 0.489,551 0.328,552 0.274,553 0.161,554 7696,555 17913,556 2.005,557 47.9,558 13,559 4,562 2,563 4,567 1.674,568 1.84,569 3.442,570 0.273,575 76.571,576 1.595,577 3.538,578 4.225,579 4.475,580 4.558,581 4.558,582 2.889,583 3.623,584 4.618,585 3.65,586 1094.95,587 7.95,588 13809.9,590 1,593 268.078,594 1.673,595 4.546,596 0.259,597 0.006,598 0.08,599 0.06,600 0.031,601 0.04,602 0.02,603 0.013,604 0.014,605 0.008,606 0.532,607 0.33,608 1,609 0.836,610 122.906,611 -0.041,612 -0.022,613 0.041,614 0.045,615 -0.055,616 0.038,617 0.393,618 -0.007,619 0.206,620 0.032,621 0.21,622 0.096,623 -0.065,624 -0.206,625 -0.127,626 -0.173,627 -0.028,628 -0.187,629 0.188,630 -0.045,631 0.156,632 0.02,633 0.172,634 0.031,635 -0.12,636 0.004,637 0.018,638 0.058,639 -0.096,640 0.026,641 0.209,642 0.135,643 0.229,644 0.183,645 0.138,646 0.226,647 -0.116,648 -0.217,649 -0.142,650 -0.183,651 0.004,652 -0.111,653 -0.735,654 0.309,655 -0.388,656 0.052,657 -0.635,658 -0.064,659 1.876,660 5.345,661 0.6,662 22.755,663 0.992,664 1.119,665 3.777,666 14.265,667 0.695,668 3.332,669 3.689,670 3.871,671 4.078,672 4.205,673 4.277,674 4.357,675 4.22,676 4.205,677 4.143,678 6.791,679 0.634,680 373.59,681 3.332,682 4.89,683 5.72,684 6.603,685 7.448,686 8.33,687 9.182,688 10.061,689 10.917,690 11.795,691 6.3,698 2,701 1,709 4,710 1,713 1,714 5,716 11,738 48,739 13,740 1,741 27,743 50,744 19,745 9,746 2,747 4,748 1,752 3,753 4,757 1,759 3,760 1,763 4,766 4,768 11,769 8,772 2,778 1,779 1,782 2,789 23,790 4,791 2,792 6,793 2,797 3,800 1,803 0.667,804 1,822 1,823 2,826 1,855 2,857 2,859 3,862 25,869 4,871 2,876 1,879 1,886 2.1,889 1,893 13.583,894 9.533,895 5.306,896 3.01,898 1.922,899 1.275,900 0.96,901 5.544,902 8.907,903 3.57,904 4.139,905 4.616,906 5.127,907 5.455,908 5.658,909 5.901,910 5.639,911 5.786,912 5.761,913 1,914 36,915 9.264,917 3.896,918 7.637,919 18.013,921 14.941,924 2.137,925 53.417,928 1,929 247.193,930 166.965,931 52.807,933 25.145,935 76.47,936 90.495,937 272.338,938 52.807,939 26.476,940 46.16,941 37.905,942 46.635,943 9.629,944 1.643,945 278.471,946 45.192,947 247.193,948 143.302,949 25.145,950 76.47,952 247.193,953 25.145,956 75.893,957 50.624,958 16.786,959 76.47,960 247.193,961 77.952,962 166.965,965 247.193,966 57.392,967 64.381,968 36.022,969 87.122,970 247.193,971 77.952,972 166.965,973 0.597,974 0.327,975 0.164,976 0.082,977 19,978 9,979 0.06,980 3,981 1,982 1.133,983 3.728,984 197.141,985 0.133,986 15,987 107.342,989 1,990 1,993 18.466,994 7.505,995 4.646,997 77.952,998 7.641,999 4.578,1002 1.63,1003 5.056,1005 36.022,1006 492.11,1007 34.5,1013 12.345,1014 5.262,1017 0.079,1020 47.622,1021 53.696,1022 0.286,1023 0.634,1024 0.756,1025 0.801,1026 0.816,1027 0.816,1028 4.834,1029 1.357,1030 5.759,1031 4.312,1032 4.369,1033 4.824,1034 2.123,1035 6.592,1036 4.275,1037 6.059,1038 1.101,1039 7.345,1040 3.073,1041 4.205,1042 4.758,1043 1.305,1044 7.743,1045 4.092,1046 7.385,1047 1,1048 9.042,1049 2.863,1050 6.047,1051 6.962,1052 2.817,1053 10.713,1054 5.892,1055 8.743,1056 0.347,1057 10.804,1058 2.275,1059 6.648,1060 7.647,1061 2.579,1062 12.659,1063 6.496,1064 10.13,1065 -0.169,1066 12.61,1067 0.86,1068 8.048,1069 9.392,1070 3.723,1071 15.231,1072 7.87,1073 11.537,1074 -0.462,1075 14.446,1076 -0.479,1077 8.971,1078 10.416,1079 3.828,1080 17.476,1081 8.801,1082 12.959,1083 -0.629,1084 16.305,1085 -1.131,1086 10.213,1087 11.967,1088 4.743,1089 19.939,1090 10.032,1091 3.315,1092 -0.856,1093 18.18,1094 -1.424,1095 11.274,1096 13.157,1097 5.043,1098 22.3,1099 11.101,1100 2.993,1101 11.658,1102 20.07,1103 -2.071,1104 12.462,1105 14.617,1106 5.821,1107 24.738,1108 12.286,1109 2.798,1110 9.493,1111 21.97,1112 4.005,1113 13.583,1114 15.891,1115 6.232,1116 27.147,1117 13.415,1118 2.368,1119 8.649,1120 23.879,1121 3.889,1122 14.755,1123 17.307,1124 6.93,1125 29.584,1126 14.59,1127 1.932,1128 6.868,1129 25.796,1130 3.428,1131 15.905,1132 18.626,1133 7.405,1134 32.014,1135 15.748,1136 1.707,1137 5.391,1138 27.719,1139 2.894,1140 17.075,1141 20.02,1142 8.054,1143 34.455,1144 16.925,1145 1.532,1146 4.792,1147 29.647,1148 2.447,1149 18.239,1150 21.363,1151 8.567,1152 36.896,1153 18.097,1154 7477,1155 11644,1156 17.394,1157 33.381,1158 41.542,1159 43.256,1160 41.5,1161 40.913,1162 40.899,1163 51.266,1164 5.807,1165 120.47,1166 38.862,1167 5.394,1168 5.842,1169 6.794,1170 5.442,1171 5.315,1172 7.005,1173 3.162,1174 18.555,1175 5.315,1176 14.291,1177 1.539,1178 1.602,1179 1.537,1180 1.515,1181 1.515,1182 1.899,1183 0.215,1184 4.462,1185 1.439,1186 4,1187 4.029,1188 4.265,1189 3.954,1190 7.429,1191 3.927,1192 3.946,1193 3.975,1194 3.947,1195 3.907,1196 4.923,1197 3.872,1198 3.649,1199 3.698,1200 3.835,1201 3.524,1202 4.719,1203 3.51,1204 3.51,1205 3.569,1206 3.475,1207 3.415,1208 4.686,1209 3.365,1210 3.322,1211 3.367,1212 3.421,1213 3.251,1214 4.216,1215 3.177,1216 3.058,1217 3.147,1218 3.073,1219 2.901,1220 4.011,1221 2.871,1222 2.991,1223 3.015,1224 2.898,1225 2.858,1226 3.674,1227 2.842,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.573,1233 2.715,1234 0.165,1235 0.142,1236 0.263,1237 0.16,1238 0.123,1239 4.449,1240 0.148,1241 3.842,1242 0.066,1243 7.111,1244 0.432,1245 4.315,1246 0.123,1247 3.315,1248 4.005,1249 1.773,1250 11.658,1251 3.315,1252 1.964,1253 1.939,1254 2.09,1255 2.047,1256 1.379,1257 2.061,1258 1.828,1259 1.787,1260 2.018,1261 1.952,1262 1.286,1263 1.982,1264 1.631,1265 1.583,1266 1.842,1267 1.801,1268 0.952,1269 1.814,1270 1.452,1271 1.418,1272 1.484,1273 1.639,1274 0.771,1275 1.644,1276 1.192,1277 1.159,1278 1.417,1279 1.405,1280 0.553,1281 1.414,1282 1.054,1283 1.007,1284 1.417,1285 1.252,1286 0.469,1287 1.308,1288 0.995,1289 0.934,1290 1.407,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.821,1296 1.242,1297 1.239,1298 0.454,1299 1.262,1300 4.007,1302 5.352,1303 2.398,1304 6.868,1305 4.727,1306 8.457,1307 6.823,1308 10.082,1310 6.443,1315 4.545,1317 5.774,1322 0.065,1326 30.421,1327 76.571,1328 169.836,1329 202.794,1330 214.794,1331 218.794,1332 218.794,1333 44.591,1334 6.985,1335 54.02,1336 114.35,1337 17,1338 12.337,1339 3.807,1340 3.087,1341 42.113,1342 103,1343 79,1344 0.199,1345 196.994,1346 338.71,1347 472.425,1348 10079,1350 18.027,1351 0.721,1352 0.658,1353 18.88,1354 16.443,1355 11.826,1356 0.438,1357 0.362,1358 8.587,1359 10.88,1360 8.122,1361 6.814,1362 12.522,1363 9.767,1364 11.674,1365 0.299,1366 0.226,1367 12.751,1368 8.823,1369 8.65,1370 0.184,1371 0.119,1372 9.639,1373 5.583,1374 7.097,1375 0.122,1376 0.071,1377 8.385,1378 4.139,1379 5.058,1380 0.077,1381 0.042,1382 5.984,1383 2.745,1384 0.32,1385 79.724,1386 0.24,1387 24.717,1388 0.522,1389 132,1390 333.767,1391 181.146,1392 374.715,1393 507.27,1394 348,1395 152,1396 345.075,1397 190.165,1398 378.248,1399 550.68,1400 354,1401 6.717}
{0 CHEMBL1320946,1 1.869,2 9.704,3 4.26,4 18.145,5 106.55,6 11.341,7 0.71,8 3.835,9 3.894,10 3.897,11 3.534,12 4.985,13 3.505,14 4.356,15 4.44,16 4.3,17 3.955,18 5.734,19 3.916,20 4.562,21 4.68,22 4.418,23 4.086,24 5.78,25 4.017,26 4.64,27 4.766,28 4.463,29 4.009,30 5.944,31 3.958,32 4.525,33 4.652,34 4.219,35 3.796,36 6.004,37 3.777,38 4.325,39 4.499,40 3.779,41 3.547,42 5.628,43 3.515,44 4.075,45 4.258,46 3.736,47 3.406,48 5.196,49 3.355,50 3.953,51 4.087,52 4.036,53 3.504,54 5.178,55 3.417,56 0.129,57 0.557,58 2.912,59 3.441,60 15.574,61 3.022,62 0.418,63 0.911,64 3.951,65 5.527,66 40.594,67 5.295,68 0.406,69 1.121,70 18.83,71 8.782,72 33.791,73 8.105,74 0.604,75 1.223,76 26.76,77 9.57,78 61.213,79 7.478,80 0.739,81 1.086,82 20.209,83 7.974,84 70.177,85 6.225,86 0.515,87 0.894,88 11.244,89 6.117,90 62.975,91 5.669,92 0.321,93 0.713,94 21.066,95 5.451,96 24.33,97 5.137,98 0.271,99 0.631,100 17.661,101 4.96,102 20.748,103 3.647,104 10,105 47,106 0.322,107 0.581,108 0.702,109 0.839,110 0.884,111 0.892,112 3.341,113 1.007,114 -5.58,115 -5.45,116 -5.08,118 1,120 48.7,126 1,143 10,144 3,145 3,162 2,167 1,174 11,176 5,177 4,185 15,188 2,189 10,197 10,200 1,201 16,209 5,213 4,214 16,222 2,226 2,227 10,240 14,247 2,252 6,260 5,264 6,271 12,274 1008,275 18.341,276 18.341,277 18.341,278 18.341,279 18.341,280 15.512,281 14.201,282 10.508,283 18.729,284 15.316,285 15.316,286 15.316,287 15.316,288 15.316,289 11.003,290 20.037,291 4.962,292 16.035,293 3.416,294 1.909,295 1.211,296 0.41,297 0.154,298 0.103,299 4.051,306 1,307 1,308 592,309 2.915,312 105.26,313 190.32,316 171.461,317 93.641,318 108.188,320 1.41,321 34.232,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 58.25,333 262,334 5.082,335 4.771,336 7.858,337 4.619,338 3.684,339 4.99,340 0.657,341 14.639,342 3.433,343 4.391,344 3.202,345 6.505,346 3.983,347 3.024,348 4.147,350 10.016,351 2.89,352 4.299,353 2.999,354 6.464,355 3.76,356 2.772,357 4.071,359 9.907,360 2.727,361 3.899,362 2.825,363 6.011,364 3.462,365 2.52,366 3.451,368 8.067,369 2.355,370 3.585,371 2.499,372 5.439,373 3.177,374 2.229,375 2.962,377 7.007,378 2.103,379 3.234,380 2.083,381 5.057,382 2.78,383 1.827,384 2.563,386 5.456,387 1.734,388 3.169,389 1.739,390 4.841,391 2.69,392 1.7,393 2.402,395 5.128,396 1.672,397 2.861,398 1.586,399 3.991,400 2.344,401 1.414,402 2.015,404 3.217,405 1.294,406 2.774,407 1.437,408 3.903,409 2.296,410 1.321,411 1.905,413 3.037,414 1.256,415 2.703,416 1.268,417 3.826,418 2.256,419 1.261,420 1.774,422 2.952,423 1.197,424 2.526,425 1.13,426 3.579,427 2.046,428 1.064,429 1.537,431 2.661,432 1.042,433 2.182,434 0.73,435 3.385,436 1.681,437 0.697,438 1.029,440 1.726,441 0.682,442 1.972,443 0.619,444 3.268,445 1.515,446 0.542,447 0.746,449 1.491,450 0.526,451 1.119,452 0.292,453 2.982,454 0.696,455 -0.192,456 -0.238,458 -0.441,459 -0.114,460 1.072,461 0.14,462 2.752,463 0.571,464 -0.339,465 -0.448,467 -0.87,468 -0.314,469 13.867,470 0.514,471 0.79,472 0.029,473 41,474 1.519,475 23.5,476 0.87,477 17.5,478 0.648,479 20.064,480 0.743,481 26.333,482 0.675,483 28.881,484 1.07,485 7.719,486 0.286,487 5.334,488 0.198,489 0.144,490 0.06,491 0.317,496 0.518,497 1.091,498 0.499,499 0.96,500 0.632,501 0.75,502 0.588,503 0.97,504 0.565,505 0.743,506 0.566,507 0.791,508 0.953,509 1.013,510 0.932,511 1.025,512 0.884,513 0.932,514 1.371,515 1.207,516 1.086,517 1.229,518 1.465,519 1.1,520 1.399,521 1.187,522 0.849,523 1.09,524 1.412,525 1.047,526 1.401,527 1.055,528 0.428,529 0.694,530 1.453,531 0.938,532 1.103,533 1.036,534 1.08,535 0.91,536 0.579,537 0.837,538 1.239,539 0.761,540 0.697,541 0.637,542 0.933,543 0.675,544 5.5,545 0.115,546 4,547 3.556,548 1.712,549 1.067,550 0.377,551 0.334,552 0.326,553 0.213,554 8951,555 28918,556 2.175,557 30.8,559 12,567 1.702,568 2.038,569 3.215,570 -0.696,572 1,575 72.891,576 1.869,577 3.377,578 4.075,579 4.875,580 5.132,581 5.183,582 2.628,583 4.533,584 4.73,585 3.406,586 1195.45,587 8.213,588 14783.6,590 1,592 1,593 206.131,594 1.548,595 4.683,596 0.177,597 0.006,598 0.085,599 0.073,600 0.038,601 0.027,602 0.013,603 0.013,604 0.013,605 0.008,606 0.454,607 0.33,608 0.75,609 0.528,610 131.643,611 0.121,612 -0.082,613 0.035,614 -0.117,615 -0.131,616 -0.002,617 0.277,618 0.045,619 0.013,620 0.055,621 0.214,622 -0.024,623 -0.049,624 -0.027,625 -0.046,626 -0.035,627 -0.021,628 -0.003,629 -0.164,630 -0.183,631 -0.074,632 -0.2,633 -0.17,634 -0.167,635 0.029,636 -0.14,637 -0.073,638 -0.141,639 0.072,640 -0.152,641 -0.163,642 -0.039,643 0.028,644 0.1,645 -0.153,646 0.017,647 -0.128,648 0.024,649 -0.045,650 0.064,651 0.004,652 0.196,653 -0.273,654 0.32,655 0.168,656 0.363,657 -0.079,658 0.243,659 4.581,660 6.029,661 0.852,662 20.691,663 1.026,664 1.102,665 4.346,666 18.888,667 0.774,668 3.466,669 3.871,670 4.234,671 4.585,672 4.844,673 4.949,674 5.13,675 5.298,676 5.384,677 5.472,678 5.906,679 0.745,680 442.31,681 3.466,682 5.056,683 5.958,684 6.891,685 7.814,686 8.752,687 9.685,688 10.626,689 11.564,690 12.508,691 7.7,697 1,701 2,708 2,709 10,710 2,712 1,714 6,716 22,737 1,738 39,739 24,740 3,741 31,742 1,743 43,744 19,745 18,746 6,747 10,752 5,753 9,768 18,769 1,772 2,776 1,778 2,786 1,789 12,790 6,792 8,793 2,797 3,803 0.6,804 3,822 2,823 3,826 2,827 1,828 1,855 3,857 1,858 1,862 27,866 1,869 1,875 1,885 1,886 7.7,889 2,891 1,893 13.25,894 7.243,895 5.667,896 2.255,898 4.46,899 1.544,900 1.079,901 3.779,902 12.662,903 3.807,904 4.525,905 5.175,906 5.843,907 6.413,908 6.748,909 7.207,910 7.635,911 7.998,912 8.252,913 1,914 49,915 10.23,917 4.839,918 7.87,919 18.884,921 16.404,924 2.37,925 64,929 141.253,930 128.41,931 80.799,933 53.82,935 5.807,936 168.556,937 195.074,938 34.845,940 2.106,941 100.57,942 87.679,943 26.72,945 141.253,946 45.954,947 141.253,948 157.447,949 53.82,950 5.807,951 45.954,952 141.253,953 53.82,956 12.146,957 111.975,958 39.133,959 45.954,960 141.253,961 88.665,962 174.364,964 5.807,965 141.253,966 27.84,967 96.281,968 45.954,969 87.146,970 141.253,971 88.665,972 174.364,973 0.6,974 0.369,975 0.211,976 0.115,977 27,978 11,979 0.07,980 3,981 3,982 1.217,983 3.82,984 255.395,985 0.261,986 22,987 124.382,992 1,993 16.784,994 6.079,995 2.568,996 1.612,997 88.665,998 18.3,999 8.113,1001 5.742,1003 3.084,1006 404.282,1007 44,1011 -3.664,1013 26.058,1020 40.011,1021 42.961,1022 0.354,1023 0.639,1024 0.771,1025 0.922,1026 0.971,1027 0.981,1028 5.072,1029 1.414,1030 5.999,1031 5.128,1032 4.554,1033 5.212,1034 0.623,1035 6.942,1036 4.462,1037 6.344,1038 1.321,1039 7.643,1040 3.217,1041 4.369,1042 5.301,1044 8.258,1045 4.169,1046 7.72,1047 1.261,1048 9.406,1049 3.037,1050 6.304,1051 7.609,1052 0.317,1053 11.419,1054 6.108,1055 9.142,1056 1.064,1057 11.244,1058 2.952,1059 6.976,1060 8.546,1062 13.606,1063 6.664,1064 10.605,1065 0.697,1066 13.131,1067 2.661,1068 8.437,1069 10.361,1070 0.149,1071 16.388,1072 8.108,1073 12.097,1074 0.542,1075 15.054,1076 1.726,1077 9.472,1078 11.663,1080 18.894,1081 9.036,1082 13.612,1083 -0.192,1084 17.003,1085 1.491,1086 10.788,1087 13.313,1088 0.067,1089 21.589,1090 10.31,1091 3.684,1092 -0.339,1093 18.973,1094 -0.441,1095 11.973,1096 14.773,1098 24.208,1099 11.399,1100 3.024,1101 14.639,1102 20.96,1103 -0.87,1104 13.255,1105 16.371,1106 0.03,1107 26.888,1108 12.621,1109 2.772,1110 10.016,1111 22.959,1112 4.99,1113 14.501,1114 17.902,1116 29.547,1117 13.781,1118 2.52,1119 9.907,1120 24.97,1121 4.147,1122 15.781,1123 19.487,1124 0.013,1125 32.227,1126 14.991,1127 2.229,1128 8.067,1129 26.99,1130 4.071,1131 17.054,1132 21.051,1134 34.901,1135 16.183,1136 1.827,1137 7.007,1138 29.018,1139 3.451,1140 18.34,1141 22.638,1142 0.006,1143 37.582,1144 17.396,1145 1.7,1146 5.456,1147 31.051,1148 2.962,1149 19.626,1150 24.219,1152 40.262,1153 18.604,1154 8231,1155 14985,1156 20.978,1157 30.188,1158 48.451,1159 49.023,1160 49.416,1161 48.39,1162 48.108,1163 67.183,1164 1.315,1165 150.606,1166 45.821,1167 5.963,1168 6.771,1169 7.543,1170 5.691,1171 5.684,1172 7.99,1173 1.315,1174 23.149,1175 5.433,1176 11.061,1177 1.563,1178 1.581,1179 1.594,1180 1.561,1181 1.552,1182 2.167,1183 0.042,1184 4.858,1185 1.478,1186 4.235,1187 4.226,1188 6.88,1189 4.218,1190 7.715,1191 4.164,1192 3.966,1193 3.984,1194 4.775,1195 3.893,1196 6.999,1197 3.883,1198 3.733,1199 3.751,1200 3.899,1201 3.664,1202 5.255,1203 3.592,1204 3.64,1205 3.619,1206 3.878,1207 3.45,1208 4.866,1209 3.471,1210 3.438,1211 3.482,1212 3.595,1213 3.334,1214 4.696,1215 3.332,1216 3.004,1217 3.054,1218 3.346,1219 2.904,1220 4.301,1221 2.858,1222 2.871,1223 2.915,1224 2.933,1225 2.834,1226 3.967,1227 2.784,1228 2.815,1229 2.839,1230 2.755,1231 2.715,1232 3.906,1233 2.69,1234 0.164,1235 0.154,1236 0.253,1237 0.149,1238 0.119,1239 5.082,1240 0.161,1241 4.771,1242 0.021,1243 7.858,1244 0.472,1245 4.619,1246 0.111,1247 3.684,1248 4.99,1249 0.657,1250 14.639,1251 3.433,1252 2.056,1253 2.048,1254 2.116,1255 2.097,1256 1.299,1257 2.111,1258 1.892,1259 1.875,1260 1.965,1261 1.961,1262 1.088,1263 1.973,1264 1.725,1265 1.749,1266 1.707,1267 1.863,1268 1.024,1269 1.895,1270 1.383,1271 1.345,1272 1.57,1273 1.576,1274 0.694,1275 1.571,1276 1.239,1277 1.256,1278 1.236,1279 1.406,1280 0.449,1281 1.427,1282 1.135,1283 1.095,1284 1.155,1285 1.386,1286 0.287,1287 1.339,1288 0.939,1289 0.902,1290 1.07,1291 1.115,1292 0.199,1293 1.109,1294 0.873,1295 0.83,1296 0.936,1297 1.008,1298 0.178,1299 1.055,1300 4.143,1302 5.525,1303 3.045,1304 7.112,1305 5.533,1306 8.794,1307 7.766,1308 10.528,1309 3.454,1315 -0.02,1321 1.321,1326 29.055,1327 72.891,1328 131.692,1329 158.911,1330 190.131,1331 200.131,1332 202.131,1333 46.15,1334 8.202,1335 76.3,1336 84.68,1337 28,1338 13.002,1339 4.644,1340 3.807,1341 35.771,1342 96,1343 94,1344 0.185,1345 182.2,1346 302.62,1347 436.329,1348 43672,1349 2.6,1350 18.596,1351 0.689,1352 0.601,1353 19.846,1354 16.236,1355 13.054,1356 0.421,1357 0.336,1358 8.24,1359 11.319,1360 7.932,1361 6.499,1362 14.42,1363 10.406,1364 12.498,1365 0.266,1366 0.187,1367 14.521,1368 8.809,1369 11.086,1370 0.163,1371 0.103,1372 13.093,1373 7.025,1374 9.87,1375 0.102,1376 0.056,1377 11.874,1378 5.427,1379 8.238,1380 0.065,1381 0.031,1382 10.054,1383 3.865,1384 0.285,1385 97.82,1386 0.218,1387 25.458,1388 0.522,1389 156,1390 489.657,1391 276.684,1392 530.089,1393 724.86,1394 490,1395 193,1396 500.206,1397 293.857,1398 552.228,1399 821.36,1400 520,1401 4.461}
{0 CHEMBL1321335,1 1.536,2 16.756,3 1.371,4 1.879,5 153.545,6 7.217,8 4.482,9 4.586,10 4.017,11 4.006,12 5.56,13 3.962,14 5.103,15 5.259,16 4.437,17 4.487,18 6.185,19 4.416,20 5.51,21 5.69,22 4.639,23 4.758,24 6.618,25 4.676,26 5.746,27 5.957,28 4.678,29 4.87,30 6.797,31 4.759,32 5.833,33 6.082,34 4.663,35 4.81,36 7.012,37 4.679,38 5.684,39 5.942,40 4.434,41 4.626,42 6.76,43 4.5,44 5.461,45 5.687,46 4.324,47 4.45,48 6.649,49 4.354,50 5.332,51 5.551,52 4.228,53 4.301,54 6.656,55 4.21,56 0.137,57 1.107,58 18.857,59 8.996,60 33.987,61 11.014,62 0.534,63 1.921,64 39.992,65 16.222,66 102.762,67 20.562,68 1.036,69 2.654,70 57.864,71 21.955,72 199.251,73 28.819,74 1.245,75 3.154,76 75.456,77 26.433,78 235.463,79 35.615,80 2.06,81 3.146,82 88.237,83 27.657,84 384.71,85 38.123,86 1.702,87 2.64,88 76.709,89 22.948,90 301.795,91 31.568,92 1.343,93 2.153,94 60.27,95 18.511,96 239.916,97 24.612,98 1.563,99 1.854,100 53.815,101 16.027,102 278.005,103 21.163,104 137,105 67,106 0.235,107 0.557,108 0.818,109 0.91,110 0.91,111 0.91,112 3.741,113 1.071,114 -2.63,115 -2.65,116 -2.58,120 36.6,121 2,122 8,123 3,124 2,125 1,126 2,128 2,131 1,136 3,137 1,157 2,159 3,168 1,172 1,174 17,176 1,177 5,180 2,182 6,183 1,185 27,186 1,188 1,189 8,192 2,193 1,194 9,197 28,201 9,202 1,204 1,206 8,209 21,210 2,213 4,214 11,217 3,218 1,219 9,222 17,223 1,227 9,230 2,232 4,235 13,240 12,241 2,243 2,245 4,247 11,251 3,252 8,255 3,257 2,260 5,264 13,267 2,268 1,269 3,271 3,274 3660,275 26.412,276 26.412,277 26.412,278 26.412,279 26.412,280 25.374,281 27.61,282 14.987,283 26.851,284 21.527,285 21.527,286 21.527,287 21.527,288 21.527,289 19.566,290 29.272,291 6.927,292 22.031,293 4.822,294 2.722,295 1.021,296 0.418,297 0.418,298 0.418,299 4.422,307 1,308 1453,309 5.916,312 77.531,313 276.926,316 131.922,317 307.32,320 2.506,321 84.683,324 0.75,325 0.5,326 0.67,327 0.9,328 1,329 0.5,331 0.62,332 91.5,333 687,334 4.978,335 4.307,336 8.671,337 4.945,338 3.958,339 4.03,340 2.95,341 17.361,342 3.905,343 4.709,344 4.093,345 7.926,346 4.62,347 3.622,348 3.896,349 2.492,350 14.92,351 3.611,352 3.969,353 3.964,354 6.865,355 3.835,356 2.841,357 3.111,358 2.376,359 10.692,360 2.822,361 3.944,362 3.777,363 6.195,364 3.754,365 2.774,366 3.098,367 2.285,368 8.337,369 2.705,370 3.715,371 3.694,372 5.952,373 3.44,374 2.441,375 2.883,376 1.906,377 8.318,378 2.451,379 3.652,380 3.518,381 5.664,382 3.38,383 2.368,384 2.799,385 0.962,386 7.014,387 2.37,388 3.481,389 3.396,390 5.13,391 3.201,392 2.198,393 2.633,394 0.576,395 6.277,396 2.207,397 3.316,398 3.319,399 5.122,400 3.131,401 2.131,402 2.384,403 0.262,404 6.068,405 2.105,406 3.25,407 2.739,408 4.898,409 3.096,410 2.086,411 2.275,412 0.119,413 5.579,414 2.08,415 3.056,416 2.406,417 4.831,418 2.741,419 1.743,420 2.065,422 4.943,423 1.736,424 2.708,425 2.272,426 4.753,427 2.499,428 1.572,429 1.679,431 4.144,432 1.48,433 2.692,434 2.105,435 4.355,436 2.466,437 1.499,438 1.655,440 3.306,441 1.389,442 2.29,443 2.075,444 3.923,445 2.2,446 1.213,447 1.251,449 3.205,450 1.193,451 2.213,452 1.99,453 3.828,454 1.94,455 1.044,456 1.144,458 2.163,459 0.902,460 2.192,461 1.717,462 3.456,463 1.778,464 0.781,465 0.963,467 1.977,468 0.776,469 19.233,470 0.469,471 1.495,472 0.036,473 35.5,474 0.866,475 10.5,476 0.256,477 25,478 0.61,479 61.261,480 1.494,481 48.567,482 0.592,483 32.724,484 0.798,485 5.429,486 0.132,487 13.834,488 0.337,489 0.217,490 0.078,491 0.286,496 0.741,497 1.202,498 0.827,499 1.098,500 0.674,501 1.052,502 0.564,503 1.197,504 0.993,505 1.224,506 0.5,507 1.073,508 0.845,509 1.12,510 0.953,511 1.082,512 0.853,513 1.123,514 0.961,515 1.155,516 0.98,517 1.103,518 0.944,519 1.169,520 0.824,521 0.965,522 0.837,523 0.949,524 0.809,525 0.986,526 1.085,527 0.812,528 0.865,529 0.791,530 0.996,531 0.86,532 1.23,533 0.954,534 0.986,535 0.927,536 1.246,537 0.971,538 1.207,539 0.905,540 1.003,541 0.894,542 1.203,543 0.954,544 12,545 0.337,546 8.444,547 5.229,548 4.197,549 2.094,550 1.41,551 0.884,552 0.615,553 0.423,554 27559,555 81420,556 1.948,557 50,558 14,559 12,562 4,563 4,564 5,565 2,567 1.802,568 1.751,569 3.929,570 1.435,575 125.924,576 1.536,577 3.635,578 5.336,579 5.94,580 5.94,581 5.94,582 3.447,583 5.095,584 5.323,585 4.146,586 3399.96,587 9.385,588 60657.6,593 521.319,594 1.824,595 5.229,596 0.273,597 0.009,598 0.126,599 0.066,600 0.055,601 0.03,602 0.025,603 0.017,604 0.013,605 0.01,606 0.624,607 0.17,608 0.63,609 2.29,610 234.929,611 -0.071,612 0.074,613 0.028,614 0.098,615 -0.055,616 0.069,617 0.107,618 -0.008,619 -0.016,620 -0.036,621 0.101,622 0.024,623 -0.004,624 -0.029,625 -0.098,626 -0.066,627 -0.021,628 -0.092,629 -0.08,630 -0.14,631 -0.119,632 -0.143,633 -0.082,634 -0.164,635 0.122,636 -0.045,637 0.075,638 -0.039,639 0.104,640 -0.012,641 -0.057,642 0.082,643 0.057,644 0.087,645 -0.047,646 0.093,647 -0.091,648 -0.02,649 -0.045,650 -0.017,651 -0.102,652 -0.018,653 0.039,654 0.018,655 -0.032,656 0.015,657 0.029,658 -0.014,659 3.025,660 6.371,661 0.415,662 59.143,663 1.01,664 1.129,665 1.405,666 1.974,667 0.634,668 3.807,669 4.22,670 4.543,671 4.828,672 5.094,673 5.268,674 5.476,675 5.67,676 5.808,677 5.878,678 9.324,679 0.6,680 591.79,681 3.807,682 5.407,683 6.297,684 7.232,685 8.157,686 9.105,687 10.048,688 11.006,689 11.96,690 12.926,691 1.2,698 1,738 82,739 7,741 44,743 85,744 30,748 5,752 4,753 10,759 2,760 2,762 2,763 6,764 4,766 10,768 9,769 21,770 4,772 7,778 5,780 3,782 6,789 41,790 10,791 4,792 11,793 1,797 1,803 0.25,804 9,806 1,807 1,822 1,823 3,826 1,827 2,836 2,838 1,840 1,841 1,845 3,846 1,853 3,855 1,856 1,857 1,859 3,862 41,868 3,869 10,871 1,872 1,873 1,874 5,876 3,886 11,887 2,888 1,889 5,891 1,893 23.417,894 14.933,895 8.882,896 5.028,898 0.869,899 1.1,900 0.852,901 9.598,902 9.59,903 3.951,904 4.419,905 4.804,906 5.124,907 5.497,908 5.67,909 5.897,910 6.161,911 6.415,912 6.564,913 1,914 79,915 15.704,917 7.343,918 8.14,919 29.089,921 25.694,924 2.64,925 108.25,929 435.531,930 137.516,931 18.011,933 264.775,935 32.22,936 105.296,937 700.305,938 18.011,939 24.841,940 43.779,941 113.795,942 191.481,943 14.185,945 467.75,947 435.531,948 123.307,949 264.775,950 32.22,952 353.133,953 261.806,954 85.367,956 61.429,957 33.449,958 28.429,959 32.22,960 435.531,961 282.785,962 137.516,965 435.531,966 84.246,967 53.27,968 18.011,969 264.775,970 435.531,971 282.785,972 137.516,973 0.601,974 0.361,975 0.185,976 0.104,977 32,978 17,979 0.141,980 12,981 3,982 1.353,983 4.718,984 421.271,985 0.353,986 17,987 219.66,989 1,993 31.938,994 12.321,995 5.952,997 282.785,1005 146.061,1006 855.832,1007 51,1013 61.173,1015 5.153,1017 -2.195,1020 82.796,1021 92.607,1022 0.242,1023 0.572,1024 0.839,1025 0.934,1026 0.934,1027 0.934,1028 5.298,1029 2.131,1030 6.385,1031 6.277,1032 4.905,1033 5.106,1034 4.012,1035 7.386,1036 4.877,1037 6.521,1038 2.086,1039 8.086,1040 6.068,1041 4.934,1042 5.165,1043 3.347,1044 9.016,1045 4.913,1046 7.882,1047 1.743,1048 9.921,1049 5.579,1050 6.751,1051 7.091,1052 5.694,1053 12.202,1054 6.71,1055 9.279,1056 1.572,1057 11.842,1058 4.943,1059 7.596,1060 7.916,1061 5.344,1062 14.674,1063 7.553,1064 10.717,1065 1.499,1066 13.823,1067 4.144,1068 9.031,1069 9.432,1070 7.608,1071 17.569,1072 8.972,1073 12.185,1074 1.213,1075 15.847,1076 3.306,1077 10.196,1078 10.571,1079 7.173,1080 20.289,1081 10.129,1082 13.677,1083 1.044,1084 17.9,1085 3.205,1086 11.545,1087 11.972,1088 9.624,1089 23.127,1090 11.465,1091 3.958,1092 0.781,1093 19.976,1094 2.163,1095 12.827,1096 13.243,1097 8.956,1098 25.922,1099 12.737,1100 3.622,1101 17.361,1102 22.068,1103 1.977,1104 14.166,1105 14.616,1106 11.695,1107 28.752,1108 14.063,1109 2.841,1110 14.92,1111 24.172,1112 4.03,1113 15.492,1114 15.945,1115 10.727,1116 31.572,1117 15.376,1118 2.774,1119 10.692,1120 26.286,1121 3.896,1122 16.835,1123 17.315,1124 13.799,1125 34.405,1126 16.708,1127 2.441,1128 8.337,1129 28.407,1130 3.111,1131 18.179,1132 18.67,1133 12.496,1134 37.237,1135 18.038,1136 2.368,1137 8.318,1138 30.533,1139 3.098,1140 19.529,1141 20.042,1142 15.922,1143 40.074,1144 19.375,1145 2.198,1146 7.014,1147 32.664,1148 2.883,1149 20.88,1150 21.41,1151 14.267,1152 42.912,1153 20.714,1154 27043,1155 46522,1156 27.334,1157 51.972,1158 68.881,1159 74.727,1160 73.101,1161 66.818,1162 66.855,1163 74.337,1164 27.854,1165 213.641,1166 65.645,1167 5.978,1168 6.307,1169 8.531,1170 6.005,1171 5.958,1172 6.638,1173 5.9,1174 26.969,1175 5.905,1176 29.416,1177 1.565,1178 1.698,1179 1.661,1180 1.519,1181 1.519,1182 1.689,1183 0.633,1184 4.855,1185 1.492,1186 4.123,1187 4.152,1188 4.048,1189 4.048,1190 7.475,1191 4.043,1192 3.9,1193 3.923,1194 3.867,1195 3.814,1196 7.439,1197 3.814,1198 3.811,1199 3.849,1200 3.835,1201 3.648,1202 7.428,1203 3.643,1204 3.661,1205 3.684,1206 3.673,1207 3.502,1208 7.426,1209 3.494,1210 3.559,1211 3.586,1212 3.541,1213 3.416,1214 7.423,1215 3.418,1216 3.428,1217 3.489,1218 3.45,1219 3.287,1220 6.451,1221 3.273,1222 3.404,1223 3.438,1224 3.282,1225 3.249,1226 6.438,1227 3.215,1228 3.33,1229 3.364,1230 3.266,1231 3.165,1232 6.351,1233 3.147,1234 0.113,1235 0.098,1236 0.197,1237 0.112,1238 0.09,1239 4.978,1240 0.092,1241 4.307,1242 0.067,1243 8.671,1244 0.395,1245 4.945,1246 0.089,1247 3.958,1248 4.03,1249 2.95,1250 17.361,1251 3.905,1252 2.048,1253 2.021,1254 2.18,1255 2.139,1256 1.63,1257 2.154,1258 1.799,1259 1.775,1260 1.944,1261 1.949,1262 1.277,1263 1.939,1264 1.728,1265 1.689,1266 1.902,1267 1.921,1268 1.226,1269 1.921,1270 1.662,1271 1.629,1272 1.856,1273 1.835,1274 1.199,1275 1.84,1276 1.589,1277 1.55,1278 1.802,1279 1.773,1280 1.099,1281 1.788,1282 1.421,1283 1.364,1284 1.692,1285 1.612,1286 0.981,1287 1.637,1288 1.352,1289 1.307,1290 1.587,1291 1.564,1292 0.812,1293 1.58,1294 1.303,1295 1.262,1296 1.551,1297 1.523,1298 0.719,1299 1.547,1300 4.489,1302 5.878,1303 2.398,1304 7.475,1305 4.949,1306 9.185,1307 7.248,1308 10.965,1310 5.732,1314 32.465,1315 2.015,1317 2.393,1318 5.145,1319 1.457,1320 -1.946,1322 -3.141,1326 49.178,1327 125.924,1328 298.107,1329 437.571,1330 487.055,1331 487.055,1332 487.055,1333 189.191,1334 8.722,1335 167.3,1336 192.6,1337 23,1338 13.408,1339 3,1340 3,1341 76.749,1342 226,1343 273,1344 0.163,1345 302.367,1346 568.26,1347 729.535,1348 84177,1350 30.165,1351 0.736,1352 0.603,1353 30.518,1354 24.706,1355 19.263,1356 0.438,1357 0.357,1358 14.266,1359 17.996,1360 13.722,1361 11.19,1362 19.866,1363 15.707,1364 18.659,1365 0.278,1366 0.2,1367 19.086,1368 13.42,1369 15.749,1370 0.169,1371 0.117,1372 16.028,1373 10.917,1374 12.656,1375 0.102,1376 0.069,1377 12.89,1378 8.573,1379 10.451,1380 0.065,1381 0.039,1382 10.741,1383 6.378,1384 0.263,1385 127.47,1386 0.191,1387 36.907,1388 0.429,1389 222,1390 682.056,1391 261.244,1392 654.098,1393 837.13,1394 602,1395 271,1396 549.97,1397 302.62,1398 557.511,1399 818.86,1400 521,1401 6.666}
{0 CHEMBL1321469,1 1.546,2 13.026,3 4.891,4 23.922,5 146.491,6 7.61,7 0.405,8 4.334,9 4.431,10 4.031,11 3.95,12 5.365,13 3.895,14 4.924,15 5.075,16 4.347,17 4.363,18 6.077,19 4.294,20 5.229,21 5.425,22 4.406,23 4.509,24 6.29,25 4.428,26 5.274,27 5.482,28 4.436,29 4.518,30 6.349,31 4.439,32 5.289,33 5.458,34 4.532,35 4.55,36 6.492,37 4.48,38 5.373,39 5.575,40 4.464,41 4.553,42 6.565,43 4.47,44 5.319,45 5.517,46 4.326,47 4.499,48 6.478,49 4.408,50 5.205,51 5.416,52 4.302,53 4.444,54 6.291,55 4.342,56 0.058,57 0.964,58 16.672,59 7.528,60 18.09,61 8.931,62 0.414,63 1.659,64 32.135,65 12.977,66 69.817,67 15.966,68 0.599,69 2.154,70 44.169,71 16.145,72 94.048,73 20.814,74 0.569,75 2.18,76 44.78,77 16.889,78 94.096,79 21.821,80 0.738,81 2.172,82 47.038,83 17.725,84 130.459,85 21.379,86 0.861,87 2.324,88 55.03,89 19.32,90 164.302,91 23.704,92 0.952,93 2.172,94 47.499,95 17.294,96 149.514,97 21.617,98 0.479,99 2.035,100 42.134,101 16.332,102 93.314,103 21.263,104 38,105 61,106 0.24,107 0.57,108 0.769,109 0.855,110 0.876,111 0.876,112 3.668,113 1.066,114 -4.68,115 -4.6,116 -4.32,120 42.9,121 2,122 3,123 1,126 4,128 1,136 1,137 1,143 9,144 4,147 2,159 2,174 19,176 3,177 8,185 23,188 2,189 12,197 22,200 2,201 9,209 20,213 4,214 15,222 21,226 2,227 16,235 22,239 2,240 9,247 21,251 2,252 12,260 17,263 2,264 14,271 12,274 3014,275 25.455,276 25.455,277 25.455,278 25.455,279 25.455,280 22.712,281 20.775,282 14.791,283 25.984,284 20.691,285 20.691,286 20.691,287 20.691,288 20.691,289 16.286,290 20.62,291 6.961,292 21.48,293 4.583,294 2.455,295 1.166,296 0.616,297 0.479,298 0.479,299 4.369,307 1,308 1074,309 4.528,312 106.546,313 363.51,317 298.203,320 1.927,321 53.855,324 0.75,325 0.83,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.78,332 82,333 495,334 4.723,335 5.139,336 7.029,337 4.322,338 3.333,339 4.623,340 2.95,341 12.071,342 3.296,343 4.712,344 3.805,345 6.804,346 4.163,347 3.286,348 4.486,349 2.082,350 11.246,351 2.897,352 4.191,353 3.685,354 6.354,355 3.82,356 2.852,357 3.738,358 1.631,359 9.584,360 2.805,361 4.032,362 3.237,363 6.311,364 3.773,365 2.812,366 3.445,367 0.616,368 9.517,369 2.597,370 3.902,371 2.803,372 5.823,373 3.493,374 2.5,375 3.249,376 0.106,377 7.915,378 2.485,379 3.804,380 2.675,381 5.403,382 3.409,383 2.427,384 3.158,386 7.046,387 2.369,388 3.274,389 2.528,390 5.037,391 3.086,392 2.094,393 2.464,395 5.918,396 2.076,397 3.214,398 2.307,399 5.014,400 2.954,401 1.972,402 2.346,404 5.697,405 1.923,406 3.139,407 2.252,408 4.942,409 2.796,410 1.793,411 2.189,413 5.334,414 1.787,415 3.009,416 2.095,417 4.533,418 2.536,419 1.559,420 2.1,422 4.339,423 1.515,424 2.895,425 1.734,426 3.877,427 2.409,428 1.415,429 2.066,431 3.057,432 1.406,433 2.796,434 1.684,435 3.737,436 2.373,437 1.375,438 1.899,440 3.043,441 1.372,442 2.5,443 1.449,444 3.723,445 2.139,446 1.166,447 1.5,449 2.731,450 1.128,451 2.302,452 1.436,453 3.652,454 2,455 1,456 1.247,458 2.136,459 1,460 2.248,461 1.418,462 3.545,463 1.773,464 0.799,465 1.121,467 2.086,468 0.774,469 18.3,470 0.482,471 1.091,472 0.029,473 47.25,474 1.243,475 23.5,476 0.618,477 23.75,478 0.625,479 39.744,480 1.046,481 41.1,482 0.587,483 41.225,484 1.085,485 8.676,486 0.228,487 9.577,488 0.252,489 0.128,490 0.046,491 0.322,496 0.534,497 1.234,498 0.818,499 1.167,500 0.567,501 0.982,502 0.657,503 1.136,504 1.024,505 1.102,506 0.524,507 0.98,508 0.979,509 1.033,510 0.978,511 0.975,512 1.003,513 0.975,514 1.051,515 0.913,516 0.802,517 0.834,518 1.06,519 0.889,520 1.254,521 1.07,522 1.015,523 1.065,524 1.128,525 1.044,526 1.27,527 0.985,528 1.062,529 1.013,530 0.987,531 0.962,532 1.464,533 0.919,534 0.997,535 0.837,536 1.424,537 0.999,538 0.904,539 1.017,540 0.845,541 0.97,542 1.028,543 1.026,544 8.5,545 0.358,546 4.444,547 3.319,548 2.778,549 1.705,550 1.087,551 0.748,552 0.603,553 0.361,554 21697,555 57398,556 2.075,557 45.7,558 8,559 19,564 3,565 2,567 1.792,568 1.924,569 3.627,570 -0.784,575 108.233,576 1.546,577 3.674,578 4.963,579 5.513,580 5.651,581 5.651,582 3.097,583 4.86,584 5.218,585 3.827,586 2690.09,587 9.222,588 43507.4,593 429.05,594 1.584,595 5.165,596 0.202,597 0.008,598 0.073,599 0.052,600 0.043,601 0.025,602 0.017,603 0.013,604 0.011,605 0.007,606 0.45,607 0.17,608 0.75,609 0.697,610 208.771,611 0.064,612 -0.09,613 0.172,614 -0.026,615 -0.065,616 0.027,617 0.166,618 -0.041,619 -0.016,620 -0.036,621 0.161,622 0.006,623 -0.02,624 0.007,625 -0.064,626 -0.027,627 -0.071,628 -0.014,629 -0.033,630 0.085,631 0.057,632 0.07,633 -0.072,634 0.069,635 0.011,636 -0.073,637 -0.055,638 -0.089,639 -0.009,640 -0.093,641 -0.028,642 -0.012,643 -0.056,644 -0.035,645 0.071,646 0.002,647 -0.144,648 0.035,649 -0.144,650 0.043,651 -0.163,652 -0.062,653 -0.007,654 -0.036,655 0.006,656 -0.05,657 -0.057,658 -0.048,659 4.057,660 6.606,661 0.658,662 43.069,663 1.002,664 1.117,665 3.45,666 11.904,667 0.676,668 3.761,669 4.127,670 4.407,671 4.727,672 4.99,673 5.112,674 5.273,675 5.425,676 5.568,677 5.631,678 7.687,679 0.639,680 532.71,681 3.761,682 5.333,683 6.196,684 7.104,685 7.99,686 8.904,687 9.8,688 10.717,689 11.62,690 12.538,691 2.9,698 1,701 1,708 2,709 9,710 1,714 4,716 17,726 1,738 70,739 22,740 2,741 42,743 74,744 30,745 15,746 3,747 9,748 3,752 5,753 8,759 2,763 4,764 1,766 4,768 19,769 11,770 1,772 5,776 1,778 4,780 1,782 3,789 32,790 7,792 8,793 1,797 2,803 0.6,804 5,816 1,822 1,823 4,827 2,839 1,845 1,846 1,855 3,857 1,859 2,862 38,865 1,869 7,872 1,874 2,875 1,881 1,886 7.1,889 4,891 1,893 19.75,894 13.15,895 8.222,896 4.525,898 4.063,899 1.476,900 0.987,901 7.586,902 12.599,903 4.034,904 4.654,905 5.178,906 5.786,907 6.384,908 6.751,909 7.227,910 7.679,911 8.093,912 8.36,913 0.889,914 64,915 14.426,917 6.557,918 7.857,919 27.279,921 23.532,924 2.357,925 89.583,929 376.675,930 166.672,931 19.91,933 105.603,935 6.046,936 160.626,937 482.278,938 19.91,939 17.65,940 19.225,941 100.808,942 123.284,943 31.216,945 376.675,947 376.675,948 180.536,949 105.603,950 6.046,952 317.82,953 164.458,956 41.777,957 112.497,958 32.308,960 376.675,961 125.513,962 166.672,964 6.046,965 376.675,966 48.213,967 115.537,969 122.388,970 376.675,971 125.513,972 166.672,973 0.588,974 0.343,975 0.194,976 0.111,977 30,978 14,979 0.095,980 7,981 2,982 1.16,983 4.604,984 390.491,985 0.16,986 25,987 191.421,992 1,993 26.439,994 10.903,995 5.664,996 1.399,997 125.513,998 17.558,999 4.965,1003 3.169,1006 668.86,1007 55.5,1011 -3.14,1013 50.467,1015 2.129,1017 0.13,1020 70.171,1021 78.192,1022 0.252,1023 0.599,1024 0.81,1025 0.9,1026 0.922,1027 0.922,1028 5.305,1029 1.972,1030 6.221,1031 5.918,1032 4.812,1033 5.342,1034 3.462,1035 7.093,1036 4.742,1037 6.539,1038 1.793,1039 7.819,1040 5.697,1041 4.575,1042 5.4,1043 1.668,1044 8.23,1045 4.432,1046 7.886,1047 1.559,1048 9.522,1049 5.334,1050 6.497,1051 7.625,1052 5.265,1053 11.299,1054 6.335,1055 9.272,1056 1.415,1057 11.288,1058 4.339,1059 7.057,1060 8.493,1061 3.285,1062 13.23,1063 6.811,1064 10.692,1065 1.375,1066 13.094,1067 3.057,1068 8.492,1069 10.261,1070 7.288,1071 15.871,1072 8.227,1073 12.136,1074 1.166,1075 14.926,1076 3.043,1077 9.4,1078 11.481,1079 4.852,1080 18.11,1081 9.059,1082 13.6,1083 1,1084 16.778,1085 2.731,1086 10.661,1087 13.087,1088 9.393,1089 20.62,1090 10.295,1091 3.333,1092 0.799,1093 18.644,1094 2.136,1095 11.722,1096 14.465,1097 6.388,1098 22.985,1099 11.297,1100 3.286,1101 12.071,1102 20.521,1103 2.086,1104 12.923,1105 16.011,1106 11.532,1107 25.456,1108 12.469,1109 2.852,1110 11.246,1111 22.406,1112 4.623,1113 14.052,1114 17.462,1115 7.904,1116 27.875,1117 13.553,1118 2.812,1119 9.584,1120 24.298,1121 4.486,1122 15.236,1123 18.987,1124 13.684,1125 30.337,1126 14.709,1127 2.5,1128 9.517,1129 26.197,1130 3.738,1131 16.396,1132 20.472,1133 9.408,1134 32.782,1135 15.834,1136 2.427,1137 7.915,1138 28.1,1139 3.445,1140 17.578,1141 21.99,1142 15.843,1143 35.244,1144 16.99,1145 2.094,1146 7.046,1147 30.007,1148 3.249,1149 18.752,1150 23.492,1151 10.903,1152 37.702,1153 18.138,1154 20505,1155 33561,1156 27.739,1157 47.353,1158 63.711,1159 67.942,1160 65.794,1161 63.281,1162 63.225,1163 81.913,1164 14.771,1165 189.328,1166 61.144,1167 5.704,1168 7.139,1169 6.831,1170 5.426,1171 5.333,1172 7.623,1173 5.9,1174 19.702,1175 5.296,1176 20.436,1177 1.517,1178 1.618,1179 1.567,1180 1.507,1181 1.505,1182 1.95,1183 0.352,1184 4.508,1185 1.456,1186 4.144,1187 4.162,1188 4.745,1189 4.103,1190 7.713,1191 4.078,1192 4.082,1193 4.067,1194 4.1,1195 4.059,1196 7.436,1197 3.962,1198 3.908,1199 3.936,1200 3.843,1201 3.859,1202 7.424,1203 3.852,1204 3.746,1205 3.789,1206 3.663,1207 3.674,1208 6.999,1209 3.662,1210 3.685,1211 3.71,1212 3.644,1213 3.471,1214 4.97,1215 3.481,1216 3.465,1217 3.492,1218 3.401,1219 3.298,1220 4.766,1221 3.305,1222 3.329,1223 3.391,1224 3.195,1225 3.205,1226 4.447,1227 3.194,1228 3.276,1229 3.323,1230 3.147,1231 3.113,1232 4.383,1233 3.11,1234 0.112,1235 0.122,1236 0.167,1237 0.103,1238 0.079,1239 4.723,1240 0.11,1241 5.139,1242 0.07,1243 7.029,1244 0.287,1245 4.322,1246 0.078,1247 3.333,1248 4.623,1249 2.95,1250 12.071,1251 3.296,1252 2.088,1253 2.069,1254 2.162,1255 2.165,1256 1.435,1257 2.164,1258 1.916,1259 1.89,1260 2.031,1261 1.988,1262 1.262,1263 2.004,1264 1.766,1265 1.806,1266 1.949,1267 1.937,1268 1.223,1269 1.946,1270 1.76,1271 1.726,1272 1.919,1273 1.875,1274 1.165,1275 1.903,1276 1.697,1277 1.648,1278 1.742,1279 1.82,1280 1.086,1281 1.9,1282 1.426,1283 1.398,1284 1.616,1285 1.653,1286 0.953,1287 1.654,1288 1.393,1289 1.322,1290 1.59,1291 1.603,1292 0.735,1293 1.628,1294 1.33,1295 1.276,1296 1.554,1297 1.503,1298 0.703,1299 1.528,1300 4.443,1302 5.796,1303 2.398,1304 7.341,1305 4.727,1306 8.979,1307 6.804,1308 10.671,1310 3.962,1315 1.887,1318 5.62,1320 -0.078,1321 1.515,1326 44.706,1327 108.233,1328 257.194,1329 347.401,1330 385.93,1331 395.54,1332 395.54,1333 99.071,1334 8.536,1335 93.64,1336 102.02,1337 29,1338 13.051,1339 4.524,1340 3.858,1341 58.834,1342 169,1343 180,1344 0.163,1345 274.073,1346 488.48,1347 660.498,1348 68817,1350 26.863,1351 0.707,1352 0.593,1353 27.113,1354 22.538,1355 18.253,1356 0.435,1357 0.355,1358 13.13,1359 16.939,1360 12.605,1361 10.405,1362 19.107,1363 14.922,1364 17.197,1365 0.282,1366 0.204,1367 18.506,1368 12.466,1369 13.976,1370 0.173,1371 0.113,1372 14.794,1373 9.15,1374 12.244,1375 0.109,1376 0.066,1377 13.064,1378 7.392,1379 10.082,1380 0.069,1381 0.033,1382 10.787,1383 4.887,1384 0.254,1385 122.063,1386 0.19,1387 34.071,1388 0.452,1389 206,1390 596.828,1391 255.843,1392 592.038,1393 796.89,1394 548,1395 245,1396 553.095,1397 301.916,1398 588.947,1399 862.34,1400 553,1401 4.846}
{0 CHEMBL1321538,1 1.72,2 9.962,3 5.117,4 26.187,5 106.117,6 9.732,7 0.607,8 3.839,9 3.94,10 3.635,11 3.478,12 4.996,13 3.444,14 4.342,15 4.486,16 4.025,17 3.842,18 5.491,19 3.794,20 4.551,21 4.712,22 4.192,23 3.959,24 5.769,25 3.901,26 4.619,27 4.797,28 4.111,29 3.993,30 5.756,31 3.906,32 4.675,33 4.863,34 4.183,35 4.056,36 5.825,37 3.958,38 4.638,39 4.791,40 4.27,41 4.05,42 5.923,43 3.949,44 4.672,45 4.873,46 4.192,47 3.947,48 5.873,49 3.802,50 4.417,51 4.656,52 3.809,53 3.688,54 5.475,55 3.528,56 0.075,57 0.573,58 4.666,59 3.284,60 6.24,61 4.059,62 0.25,63 0.908,64 13.912,65 5.804,66 17.194,67 7.09,68 0.457,69 1.076,70 19.691,71 7.148,72 45.795,73 8.118,74 0.465,75 1.148,76 22.896,77 7.963,78 38.407,79 9.168,80 0.477,81 1.105,82 31.919,83 9.735,84 49.462,85 11.599,86 0.466,87 1.06,88 24.282,89 9.04,90 55.721,91 10.698,92 0.719,93 1.055,94 40.563,95 9.832,96 74.428,97 11.222,98 0.441,99 0.824,100 34.287,101 8.384,102 43.493,103 10.407,104 28,105 39,106 0.3,107 0.604,108 0.723,109 0.809,110 0.837,111 0.837,112 3.305,113 0.987,114 -5.65,115 -5.52,116 -5.15,120 45.2,121 1,126 2,143 9,144 1,145 3,147 1,154 1,159 1,167 1,174 6,176 1,177 9,185 10,189 10,197 6,200 2,201 8,209 7,214 4,222 11,226 2,227 8,235 10,240 9,247 8,252 3,260 5,264 4,271 12,274 990,275 17.422,276 17.422,277 17.422,278 17.422,279 17.422,280 15.125,281 19.642,282 10.198,283 17.896,284 13.705,285 13.705,286 13.705,287 13.705,288 13.705,289 10.308,290 21.703,291 4.74,292 14.626,293 3.672,294 1.922,295 1.239,296 0.75,297 0.589,298 0.589,299 3.981,300 1,303 1,304 1,306 1,307 1,308 546,309 3.391,312 78.375,313 186.236,320 1.352,321 25.812,324 0.75,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.84,332 55.5,333 259,334 4.577,335 3.795,336 6.787,337 4.162,338 3.227,339 4.308,340 2.116,341 11.082,342 3.008,343 4.216,344 3.486,345 6.443,346 3.906,347 2.959,348 3.714,349 0.825,350 9.921,351 2.792,352 3.902,353 2.956,354 5.921,355 3.495,356 2.521,357 3.438,358 0.316,359 8.134,360 2.455,361 3.758,362 2.764,363 5.194,364 3.313,365 2.386,366 3.09,368 6.352,369 2.188,370 3.278,371 2.58,372 4.903,373 2.835,374 1.897,375 2.491,377 5.253,378 1.713,379 3.211,380 2.283,381 4.844,382 2.752,383 1.814,384 2.48,386 4.985,387 1.676,388 2.956,389 1.902,390 4.477,391 2.527,392 1.601,393 2.105,395 4.31,396 1.425,397 2.596,398 1.815,399 3.836,400 2.163,401 1.214,402 1.629,404 2.899,405 1.122,406 2.5,407 1.56,408 3.531,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1.104,417 3.414,418 2,419 1,420 1.5,422 2.269,423 1,424 2.152,425 1,426 3.247,427 1.796,428 0.877,429 1.066,431 2.136,432 0.763,433 1.47,434 1,435 2.972,436 1.03,437 0.26,438 0.286,440 0.471,441 0.158,442 1.286,443 0.805,444 2.507,445 0.847,446 0.038,447 0.045,449 0.069,450 0.025,451 0.96,452 0.344,453 2.377,454 0.503,455 -0.328,456 -0.394,458 -0.737,459 -0.216,460 0.764,461 -0.074,462 2.269,463 0.383,464 -0.583,465 -0.735,467 -1.377,468 -0.55,469 13.176,470 0.507,471 0.665,472 0.026,473 34.5,474 1.327,475 18,476 0.692,477 16.5,478 0.635,479 22.325,480 0.859,481 27.024,482 0.643,483 25.144,484 0.967,485 6.903,486 0.265,487 5.604,488 0.216,489 0.226,491 0.326,496 0.559,497 1.235,498 0.497,499 0.823,500 0.542,501 0.814,502 0.72,503 1.292,504 0.7,505 0.919,506 0.645,507 0.878,508 1.001,509 1.162,510 0.812,511 0.925,512 0.978,513 0.922,514 1.134,515 0.967,516 0.957,517 0.947,518 1.066,519 1.018,520 1.134,521 0.877,522 1.036,523 0.918,524 1.158,525 0.885,526 0.998,527 1.221,528 1.018,529 1.115,530 1.148,531 1.103,532 1.246,533 0.96,534 1.31,535 1.132,536 1.176,537 1.128,538 0.963,539 0.762,540 1.069,541 0.935,542 0.797,543 0.925,544 5,545 0.082,546 3.556,547 2.201,548 1.463,549 1.243,550 0.827,551 0.496,552 0.265,553 0.089,554 7161,555 25819,556 2.014,557 38.1,559 13,563 3,567 1.696,568 1.857,569 3.253,570 -0.722,575 72.257,576 1.72,577 3.471,578 4.153,579 4.642,580 4.803,581 4.803,582 2.691,583 4.316,584 4.671,585 3.396,586 1103.54,587 8.125,588 13528.3,593 226.477,594 1.502,595 4.615,596 0.179,597 0.006,598 0.091,599 0.054,600 0.039,601 0.03,602 0.021,603 0.017,604 0.012,605 0.004,606 0.452,607 0.33,608 0.88,609 1,610 125.641,611 0.029,612 -0.11,613 0.01,614 -0.048,615 -0.051,616 -0.023,617 0.047,618 -0.192,619 -0.006,620 -0.077,621 -0.011,622 -0.025,623 -0.014,624 -0.067,625 -0.014,626 -0.051,627 0.002,628 -0.055,629 -0.154,630 0.114,631 -0.128,632 -0.051,633 -0.111,634 -0.124,635 -0.117,636 0.083,637 -0.043,638 0.072,639 -0.069,640 0.102,641 0.066,642 -0.264,643 -0.037,644 -0.15,645 0.064,646 -0.162,647 -0.049,648 -0.003,649 -0.08,650 -0.094,651 -0.047,652 -0.121,653 -0.015,654 0.144,655 0.068,656 0.136,657 0.037,658 0.17,659 1.892,660 5.392,661 0.654,662 21.544,663 1.016,664 1.116,665 4.423,666 19.563,667 0.741,668 3.367,669 3.689,670 3.97,671 4.205,672 4.407,673 4.443,674 4.511,675 4.564,676 4.585,677 4.466,678 5.822,679 0.702,680 408.73,681 3.367,682 4.905,683 5.759,684 6.637,685 7.514,686 8.4,687 9.285,688 10.176,689 11.066,690 11.959,691 7.1,698 1,699 1,701 1,709 9,710 1,714 6,715 1,716 17,737 2,738 42,739 18,740 2,741 28,743 44,744 19,745 15,746 3,747 9,750 1,752 3,753 3,754 3,759 2,768 16,769 3,772 1,778 1,782 1,789 16,790 3,792 7,793 3,797 3,803 1,804 1,814 1,822 1,823 2,839 1,855 3,859 1,860 3,862 26,869 2,875 1,885 3,886 2.4,889 1,893 14,894 7.945,895 5.833,896 2.366,898 2.782,899 1.401,900 0.98,901 6.118,902 9.728,903 3.651,904 4.252,905 4.815,906 5.357,907 5.824,908 5.989,909 6.337,910 6.664,911 6.932,912 7.106,913 0.857,914 41,915 9.568,917 4.016,918 7.846,919 17.975,921 14.382,924 2.346,925 61,928 1,929 188.338,930 121.8,931 21.564,932 117.446,933 25.145,936 121.8,937 330.928,938 21.564,939 8.825,940 8.08,941 85.286,942 46.513,943 19.805,944 39.149,945 227.486,946 39.149,947 188.338,948 143.363,949 25.145,950 117.446,952 188.338,953 25.145,956 24.51,957 102.191,958 94.96,959 39.149,960 188.338,961 46.709,962 239.245,965 188.338,966 27.688,967 99.012,969 159.254,970 188.338,971 46.709,972 239.245,973 0.58,974 0.349,975 0.184,976 0.103,977 18,978 9,979 0.091,980 4,982 1,983 3.658,984 218.388,986 17,987 114.211,993 19.084,994 8.336,995 4.191,997 44.932,998 16.608,999 4.519,1003 4.133,1004 1.664,1006 474.292,1007 37.5,1013 12.392,1017 -0.225,1020 42.673,1021 46.858,1022 0.319,1023 0.644,1024 0.77,1025 0.861,1026 0.891,1027 0.891,1028 4.877,1029 1.214,1030 5.753,1031 4.31,1032 4.369,1033 4.938,1034 2.337,1035 6.581,1036 4.242,1037 6.092,1038 1,1039 7.33,1040 2.899,1041 4.007,1042 4.732,1043 1.668,1044 7.542,1045 3.772,1046 7.402,1047 1,1048 9.01,1049 2.275,1050 5.979,1051 7.12,1052 3.41,1053 10.657,1054 5.741,1055 8.75,1056 0.877,1057 10.75,1058 2.269,1059 6.447,1060 7.731,1061 3.401,1062 12.457,1063 6.095,1064 10.129,1065 0.26,1066 12.529,1067 2.136,1068 7.899,1069 9.594,1070 4.732,1071 15.095,1072 7.539,1073 11.532,1074 0.038,1075 14.334,1076 0.471,1077 8.74,1078 10.598,1079 5.04,1080 17.231,1081 8.271,1082 12.953,1083 -0.328,1084 16.16,1085 0.069,1086 9.995,1087 12.234,1088 6.14,1089 19.705,1090 9.5,1091 3.227,1092 -0.583,1093 17.999,1094 -0.737,1095 11.004,1096 13.445,1097 6.621,1098 21.981,1099 10.412,1100 2.959,1101 11.082,1102 19.85,1103 -1.377,1104 12.186,1105 14.976,1106 7.586,1107 24.396,1108 11.55,1109 2.521,1110 9.921,1111 21.71,1112 4.308,1113 13.272,1114 16.297,1115 8.169,1116 26.733,1117 12.548,1118 2.386,1119 8.134,1120 23.577,1121 3.714,1122 14.429,1123 17.78,1124 9.052,1125 29.128,1126 13.649,1127 1.897,1128 6.352,1129 25.45,1130 3.438,1131 15.551,1132 19.16,1133 9.698,1134 31.492,1135 14.689,1136 1.814,1137 5.253,1138 27.328,1139 3.09,1140 16.702,1141 20.623,1142 10.53,1143 33.882,1144 15.776,1145 1.601,1146 4.985,1147 29.209,1148 2.491,1149 17.84,1150 22.036,1151 11.215,1152 36.26,1153 16.838,1154 7076,1155 13556,1156 18.205,1157 31.137,1158 42.087,1159 44.146,1160 44.283,1161 41.844,1162 41.587,1163 55.301,1164 6.514,1165 120.31,1166 38.651,1167 5.44,1168 5.795,1169 6.589,1170 5.195,1171 5.227,1172 7.308,1173 3.785,1174 18.396,1175 5.008,1176 14.231,1177 1.503,1178 1.577,1179 1.582,1180 1.494,1181 1.485,1182 1.975,1183 0.233,1184 4.297,1185 1.38,1186 4.052,1187 4.095,1188 4.121,1189 3.929,1190 7.427,1191 3.94,1192 3.909,1193 3.938,1194 3.994,1195 3.836,1196 5.065,1197 3.833,1198 3.757,1199 3.792,1200 3.806,1201 3.677,1202 4.937,1203 3.675,1204 3.539,1205 3.566,1206 3.733,1207 3.354,1208 4.691,1209 3.366,1210 3.106,1211 3.196,1212 3.416,1213 2.93,1214 4.66,1215 2.909,1216 3.084,1217 3.156,1218 3.254,1219 2.906,1220 4.377,1221 2.897,1222 2.854,1223 2.925,1224 3.028,1225 2.735,1226 4.332,1227 2.715,1228 2.854,1229 2.925,1230 2.832,1231 2.735,1232 3.802,1233 2.715,1234 0.163,1235 0.136,1236 0.242,1237 0.149,1238 0.115,1239 4.577,1240 0.154,1241 3.795,1242 0.076,1243 6.787,1244 0.396,1245 4.162,1246 0.107,1247 3.227,1248 4.308,1249 2.116,1250 11.082,1251 3.008,1252 1.904,1253 1.876,1254 2.013,1255 2.011,1256 1.143,1257 2.013,1258 1.891,1259 1.862,1260 1.984,1261 1.995,1262 1.077,1263 1.998,1264 1.646,1265 1.613,1266 1.795,1267 1.77,1268 0.976,1269 1.784,1270 1.413,1271 1.379,1272 1.594,1273 1.632,1274 0.745,1275 1.632,1276 1.296,1277 1.236,1278 1.443,1279 1.525,1280 0.63,1281 1.508,1282 1.012,1283 0.937,1284 1.229,1285 1.262,1286 0.352,1287 1.287,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.043,1302 5.361,1303 2.398,1304 6.876,1305 4.844,1306 8.474,1307 7.002,1308 10.116,1310 1.867,1311 18.329,1315 0.136,1321 1.578,1326 29.476,1327 72.257,1328 145.767,1329 174.438,1330 194.968,1331 201.722,1332 201.722,1333 48.8,1334 6.946,1335 38.13,1336 38.13,1337 17,1338 12.487,1339 4.248,1340 3.392,1341 44.071,1342 90,1343 92,1344 0.242,1345 193.876,1346 331.14,1347 464.817,1348 8308,1349 7.1,1350 18.681,1351 0.719,1352 0.625,1353 20.181,1354 16.262,1355 12.507,1356 0.447,1357 0.329,1358 7.95,1359 11.31,1360 7.601,1361 6.282,1362 13.438,1363 9.213,1364 11.103,1365 0.285,1366 0.173,1367 12.049,1368 6.754,1369 9.566,1370 0.184,1371 0.093,1372 10.605,1373 4.861,1374 7.506,1375 0.114,1376 0.049,1377 8.26,1378 3.228,1379 6.026,1380 0.074,1381 0.027,1382 6.706,1383 2.177,1384 0.371,1385 87.344,1386 0.234,1387 24.774,1388 0.691,1389 134,1390 417.281,1391 187.068,1392 494.809,1393 643.38,1394 460,1395 158,1396 404.185,1397 201.456,1398 434.194,1399 636.35,1400 407,1401 5.804}
{0 CHEMBL1321638,1 1.554,2 6.941,3 2.798,4 7.827,5 62.646,6 7.429,7 0.611,8 3.52,9 3.631,10 3.07,11 3.069,12 4.694,13 3.048,14 4.018,15 4.193,16 3.421,17 3.41,18 5.266,19 3.37,20 4.222,21 4.437,22 3.509,23 3.494,24 5.388,25 3.459,26 4.188,27 4.375,28 3.358,29 3.442,30 5.39,31 3.397,32 4.181,33 4.398,34 3.157,35 3.399,36 5.299,37 3.285,38 4.127,39 4.391,40 2.877,41 3.248,42 5.13,43 3.072,44 3.945,45 4.246,46 2.527,47 2.937,48 4.805,49 2.746,50 3.563,51 3.821,52 2.201,53 2.437,54 4.713,55 2.309,56 0.031,57 0.435,58 6.158,59 2.861,60 8.163,61 3.649,62 0.153,63 0.685,64 11.329,65 4.513,66 33.987,67 6.258,68 0.175,69 0.827,70 14.824,71 4.933,72 28.216,73 7.046,74 0.231,75 0.787,76 14.129,77 4.367,78 36.147,79 5.937,80 0.252,81 0.733,82 14.414,83 5.228,84 36.957,85 7.285,86 0.192,87 0.641,88 14.367,89 5.555,90 29.829,91 8.004,92 0.108,93 0.495,94 12.651,95 4.584,96 22.277,97 6.697,98 0.137,99 0.302,100 8.756,101 2.82,102 28.901,103 3.779,104 26,105 25,106 0.295,107 0.618,108 0.706,109 0.748,110 0.76,111 0.772,112 2.909,113 0.947,114 -2.92,115 -2.92,116 -2.82,120 41.9,121 2,122 2,143 3,144 1,147 4,159 1,168 1,172 1,174 5,175 1,177 5,180 1,182 1,185 2,186 2,188 1,189 10,194 2,197 2,198 1,201 5,202 1,206 1,209 4,213 1,215 1,217 1,222 7,226 1,230 1,235 6,236 1,240 1,245 1,247 2,248 2,252 2,257 2,261 1,264 1,269 1,274 268,275 11.395,276 11.395,277 11.395,278 11.395,279 11.395,280 10.011,281 7.986,282 6.544,283 11.505,284 8.732,285 8.732,286 8.732,287 8.732,288 8.732,289 6.467,290 3.731,291 2.902,292 8.939,293 3.4,294 1.701,295 1.234,296 1.016,297 0.952,298 0.887,299 3.559,306 1,307 1,308 239,309 2.739,313 78.529,317 67.314,320 1.128,321 19.709,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 37,333 118,334 4.519,335 3.58,336 6.382,337 4.04,338 3.072,339 4.443,340 1.437,341 9.896,342 2.974,343 4.071,344 3.156,345 5.996,346 3.707,347 2.716,348 3.576,350 8.492,351 2.678,352 3.744,353 2.635,354 5.731,355 3.341,356 2.354,357 3.15,359 7.523,360 2.314,361 3.22,362 1.998,363 4.719,364 2.743,365 1.796,366 2.539,368 5.128,369 1.699,370 2.79,371 1.828,372 3.979,373 2.277,374 1.281,375 1.819,377 3.074,378 1.268,379 2.543,380 1.411,381 3.794,382 2.211,383 1.213,384 1.543,386 2.921,387 1.198,388 1.78,389 0.578,390 3,391 1.437,392 0.471,393 0.601,395 0.917,396 0.453,397 1.506,398 0.446,399 2.77,400 1.361,401 0.376,402 0.41,404 0.511,405 0.369,406 1.024,407 0.409,408 2.411,409 0.621,410 -0.354,411 -0.453,413 -0.693,414 -0.341,415 0.904,416 -0.297,417 2.302,418 0.45,419 -0.518,420 -0.717,422 -1.384,423 -0.499,424 0.494,425 -0.487,426 2.108,427 0.023,428 -1,429 -1.216,431 -2,432 -0.936,433 0.402,434 -0.887,435 1.631,436 -0.047,437 -1,438 -1.456,440 -2.716,441 -1.009,442 0.122,443 -1.046,444 1.293,445 -0.186,446 -1.17,447 -1.535,449 -3.299,450 -1.161,451 -0.443,452 -1.419,453 1.201,454 -0.664,455 -1.636,456 -2.003,458 -4.894,459 -1.594,460 -0.5,461 -1.476,462 1,463 -0.724,464 -1.721,465 -2.074,467 -5.012,468 -1.708,469 7.967,470 0.469,471 0.435,472 0.026,473 22,474 1.294,475 11.5,476 0.676,477 10.5,478 0.618,479 11.989,480 0.705,481 18.433,482 0.595,483 13.911,484 0.818,485 4.147,486 0.244,487 4.005,488 0.236,489 0.209,491 0.377,496 0.765,497 1.257,498 0.799,499 1.075,500 0.743,501 0.968,502 0.436,503 1.26,504 0.668,505 1.012,506 0.362,507 0.901,508 0.824,509 1.058,510 0.762,511 0.845,512 0.652,513 0.783,514 1.43,515 1.076,516 1.305,517 1.004,518 1.195,519 1.08,520 0.775,521 1,522 1.174,523 1.146,524 0.746,525 1.211,526 0.328,527 0.991,528 0.924,529 1.187,530 0.425,531 1.176,532 0.502,533 0.903,534 0.788,535 1.063,536 0.595,537 0.996,538 1.513,539 0.934,540 1.082,541 1.083,542 1.717,543 1.039,544 4,546 2.222,547 1.063,548 1.338,549 0.556,550 0.324,551 0.236,552 0.049,554 2000,555 5878,556 1.96,557 45.2,558 6,559 3,562 1,563 4,567 1.573,568 1.789,569 2.837,570 -0.256,572 1,573 1,574 1,575 48.171,576 1.554,577 3.253,578 3.72,579 3.938,580 4.002,581 4.067,582 2.307,583 3.735,584 4.056,585 2.913,586 396.134,587 6.878,588 3494.12,590 1,592 1,593 153.58,594 1.549,595 3.989,596 0.222,598 0.089,599 0.039,600 0.061,601 0.033,602 0.027,603 0.03,604 0.01,606 0.51,607 0.67,608 1,609 1.173,610 69.176,611 -0.069,612 -0.106,613 0.012,614 0.005,615 -0.099,616 0.016,617 0.245,618 -0.188,619 0.212,620 0.01,621 0.264,622 0.087,623 -0.014,624 0.026,625 0.175,626 0.099,627 0.046,628 0.162,629 -0.334,630 0.058,631 -0.367,632 -0.092,633 -0.214,634 -0.198,635 0.038,636 0.016,637 -0.248,638 -0.175,639 0.017,640 -0.247,641 0.262,642 -0.106,643 0.021,644 -0.183,645 0.163,646 -0.138,647 0.141,648 -0.098,649 0.209,650 -0.076,651 0.077,652 0.058,653 -0.115,654 -0.173,656 -0.136,657 -0.135,658 -0.064,659 2.605,660 3.874,661 0.588,662 11.135,663 1.005,664 1.126,665 1.686,666 2.844,667 0.661,668 2.944,669 3.258,670 3.526,671 3.738,672 4.007,673 4.06,674 4.094,675 4.078,676 4.007,677 3.332,678 4.239,679 0.633,680 230.29,681 2.944,682 4.466,683 5.313,684 6.188,685 7.06,686 7.941,687 8.82,688 9.702,689 10.584,690 11.467,691 6.5,701 2,708 2,709 3,710 2,714 3,716 11,725 1,738 31,739 12,740 1,741 18,743 32,744 13,745 8,746 3,747 3,748 1,752 2,753 3,759 2,766 2,768 9,769 4,772 1,778 1,782 1,786 1,789 14,790 4,791 1,792 4,797 2,803 0.5,804 2,813 1,823 2,827 1,853 1,855 1,859 2,862 17,868 1,869 2,886 6.5,888 1,889 1,893 9.5,894 6.267,895 3.917,896 2.174,898 2.471,899 1.403,900 0.927,901 3.163,902 8.598,903 3.239,904 3.882,905 4.519,906 5.125,907 5.788,908 6.162,909 6.536,910 6.855,911 7.142,912 6.668,913 0.8,914 27,915 6.267,917 2.61,918 7.971,919 11.757,921 9.308,924 2.471,925 42,926 0.001,929 153.024,930 65.045,931 33.571,933 67.828,936 65.045,937 220.853,938 33.571,939 17.65,940 5.069,941 28.429,942 102.309,943 12.987,945 153.024,947 153.024,948 98.616,949 67.828,952 153.024,953 67.828,956 32.521,957 32.524,958 33.571,960 153.024,961 101.399,962 65.045,965 153.024,966 18.966,967 46.079,969 101.399,970 153.024,971 101.399,972 65.045,973 0.576,974 0.352,975 0.183,976 0.105,977 12,978 6,979 0.094,980 3,981 1,982 1.2,983 2.818,984 116.784,985 0.2,986 10,987 69.487,993 11.686,994 4.602,995 2.174,996 1.406,997 101.399,998 4.845,999 8.991,1003 2.184,1005 42.683,1006 319.469,1007 24.5,1013 10.874,1017 -0.939,1020 31.16,1021 34.907,1022 0.314,1023 0.657,1024 0.751,1025 0.795,1026 0.808,1027 0.821,1028 4.451,1029 0.376,1030 5.313,1031 0.917,1032 3.932,1033 4.564,1034 1.635,1035 6.133,1036 3.883,1037 5.687,1038 -0.354,1039 6.889,1040 0.511,1041 3.611,1042 4.543,1044 7.071,1045 3.537,1046 7.018,1047 -0.518,1048 8.56,1049 -0.693,1050 5.541,1051 6.875,1052 2.253,1053 10.114,1054 5.44,1055 8.387,1056 -1,1057 10.284,1058 -1.384,1059 5.994,1060 7.632,1062 11.796,1063 5.866,1064 9.783,1065 -1,1066 12.038,1067 -2,1068 7.425,1069 9.476,1070 2.922,1071 14.36,1072 7.269,1073 11.198,1074 -1.17,1075 13.812,1076 -2.716,1077 8.223,1078 10.595,1080 16.354,1081 8.038,1082 12.629,1083 -1.636,1084 15.599,1085 -3.299,1086 9.455,1087 12.237,1088 3.619,1089 18.74,1090 9.241,1091 3.072,1092 -1.721,1093 17.395,1094 -4.894,1095 10.414,1096 13.54,1098 20.88,1099 10.168,1100 2.716,1101 9.896,1102 19.198,1103 -5.012,1104 11.565,1105 15.092,1106 4.33,1107 23.197,1108 11.289,1109 2.354,1110 8.492,1111 21.006,1112 4.443,1113 12.6,1114 16.488,1116 25.406,1117 12.291,1118 1.796,1119 7.523,1120 22.818,1121 3.576,1122 13.721,1123 18.002,1124 5.047,1125 27.697,1126 13.379,1127 1.281,1128 5.128,1129 24.634,1130 3.15,1131 14.793,1132 19.445,1134 29.942,1135 14.417,1136 1.213,1137 3.074,1138 26.452,1139 2.539,1140 15.904,1141 20.943,1142 5.769,1143 32.225,1144 15.494,1145 0.471,1146 2.921,1147 28.274,1148 1.819,1149 16.995,1150 22.409,1152 34.489,1153 16.551,1154 2127,1155 3757,1156 11.444,1157 20.489,1158 26.57,1159 27.464,1160 28.31,1161 26.59,1162 26.559,1163 36.161,1164 2.873,1165 76.923,1166 25.904,1167 5.111,1168 5.58,1169 5.924,1170 5.11,1171 5.072,1172 7.443,1173 2.873,1174 16.633,1175 4.974,1176 9.706,1177 1.476,1178 1.526,1179 1.573,1180 1.477,1181 1.475,1182 2.009,1183 0.16,1184 4.274,1185 1.439,1186 4.074,1187 4.106,1188 4.044,1189 3.977,1190 7.475,1191 3.989,1192 3.674,1193 3.712,1194 3.596,1195 3.567,1196 6.351,1197 3.565,1198 3.407,1199 3.497,1200 3.236,1201 3.239,1202 5.029,1203 3.214,1204 3.316,1205 3.336,1206 3.184,1207 3.083,1208 4.347,1209 3.113,1210 3.011,1211 3.073,1212 2.864,1213 2.833,1214 4.155,1215 2.832,1216 2.846,1217 2.903,1218 2.72,1219 2.613,1220 3.899,1221 2.628,1222 2.529,1223 2.614,1224 2.355,1225 2.304,1226 3.873,1227 2.322,1228 2.402,1229 2.531,1230 2.133,1231 2.117,1232 3.338,1233 2.094,1234 0.251,1235 0.199,1236 0.355,1237 0.224,1238 0.171,1239 4.519,1240 0.247,1241 3.58,1242 0.08,1243 6.382,1244 0.55,1245 4.04,1246 0.165,1247 3.072,1248 4.443,1249 1.437,1250 9.896,1251 2.974,1252 2.016,1253 1.989,1254 2.087,1255 2.131,1256 1.229,1257 2.119,1258 1.667,1259 1.625,1260 1.871,1261 1.808,1262 1.042,1263 1.828,1264 1.441,1265 1.356,1266 1.782,1267 1.656,1268 0.95,1269 1.704,1270 1.199,1271 1.171,1272 1.367,1273 1.476,1274 0.408,1275 1.431,1276 0.976,1277 0.92,1278 1.195,1279 1.215,1280 0.214,1281 1.214,1282 0.781,1283 0.728,1284 1.053,1285 1.045,1286 0.124,1287 1.051,1288 0.499,1289 0.429,1290 0.975,1291 0.808,1292 0.12,1293 0.867,1294 0.426,1295 0.302,1296 0.798,1297 0.762,1299 0.802,1300 3.611,1302 4.92,1304 6.447,1306 8.074,1308 9.751,1310 4.066,1314 8.923,1315 1.649,1326 19.633,1327 48.171,1328 100.851,1329 115.315,1330 122.07,1331 124.07,1332 126.07,1333 28.032,1334 6.127,1335 63.08,1336 63.08,1337 12,1338 12.001,1339 3.7,1340 2.907,1341 28.313,1342 44,1343 37,1344 0.348,1345 124.701,1346 210.68,1347 296.03,1348 2734,1350 12.414,1351 0.73,1352 0.582,1353 12.414,1354 9.896,1355 8.151,1356 0.453,1357 0.316,1358 5.622,1359 7.888,1360 5.438,1361 4.563,1362 8.151,1363 5.682,1364 7.145,1365 0.286,1366 0.153,1367 7.145,1368 3.833,1369 6.05,1370 0.183,1371 0.083,1372 6.05,1373 2.736,1374 4.73,1375 0.115,1376 0.045,1377 4.73,1378 1.827,1379 3.965,1380 0.073,1381 0.023,1382 3.965,1383 1.244,1384 0.517,1385 50.88,1386 0.296,1387 16.759,1388 1.032,1389 86,1390 271.175,1391 94.536,1392 262.903,1393 355.95,1394 244,1395 101,1396 261.3,1397 109.04,1398 263.598,1399 386.62,1400 249,1401 5.159}
{0 CHEMBL1322078,1 1.653,2 7.905,3 3.65,4 13.32,5 86.631,6 7.755,7 0.478,8 3.767,9 3.887,10 3.436,11 3.331,12 4.848,13 3.277,14 4.298,15 4.479,16 3.834,17 3.711,18 5.279,19 3.65,20 4.452,21 4.62,22 3.894,23 3.837,24 5.496,25 3.746,26 4.663,27 4.939,28 3.785,29 3.817,30 5.539,31 3.685,32 4.521,33 4.781,34 3.631,35 3.736,36 5.382,37 3.578,38 4.197,39 4.371,40 3.579,41 3.573,42 5.258,43 3.475,44 4.236,45 4.475,46 3.306,47 3.453,48 5.2,49 3.332,50 4.041,51 4.258,52 2.946,53 3.337,54 4.896,55 3.151,56 0.052,57 0.613,58 8.474,59 3.824,60 9.121,61 4.79,62 0.186,63 0.98,64 19.087,65 6.329,66 16.986,67 8.128,68 0.14,69 1.158,70 19.16,71 6.982,72 22.324,73 9.338,74 0.279,75 1.262,76 27.46,77 8.237,78 33.154,79 11.44,80 0.407,81 1.126,82 31.247,83 8.53,84 27.868,85 10.382,86 0.161,87 0.872,88 15.853,89 5.704,90 18.318,91 7.34,92 0.282,93 0.854,94 17.694,95 4.663,96 26.099,97 6.385,98 0.074,99 0.66,100 13.252,101 5.38,102 15.034,103 7.118,104 21,105 34,106 0.297,107 0.599,108 0.728,109 0.765,110 0.765,111 0.765,112 3.104,113 1.015,114 -5.23,115 -5.12,116 -4.79,120 38.5,121 3,124 1,125 1,126 1,143 4,144 1,145 1,157 1,162 1,163 1,167 2,174 7,176 2,177 7,185 7,188 2,189 14,197 3,201 10,209 4,213 2,214 6,222 3,226 2,227 8,235 6,240 1,247 8,252 1,260 4,264 3,271 3,274 525,275 13.859,276 13.859,277 13.859,278 13.859,279 13.859,280 12.407,281 13.4,282 7.89,283 14.382,284 11.294,285 11.294,286 11.294,287 11.294,288 11.294,289 8.955,290 16.503,291 3.657,292 12.074,293 3.632,294 1.95,295 1.232,296 1.027,297 1.027,298 1.027,299 3.778,305 1,306 1,307 1,308 350,309 3.162,312 42.015,313 110.712,316 77.261,320 1.252,321 13.145,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 45,333 166,334 4.587,335 4.492,336 7.125,337 4.326,338 3.348,339 4.26,340 3.317,341 11.763,342 3.287,343 4.346,344 3.65,345 6.699,346 4.055,347 3.108,348 3.658,349 1.381,350 10.833,351 2.941,352 3.984,353 3.093,354 5.794,355 3.552,356 2.612,357 3.461,358 0.86,359 7.993,360 2.442,361 3.462,362 2.837,363 5.248,364 3.084,365 2.17,366 2.734,368 6.493,369 1.977,370 3.04,371 2.555,372 4.648,373 2.602,374 1.654,375 2.101,377 4.855,378 1.559,379 2.853,380 2.113,381 4.516,382 2.412,383 1.519,384 1.977,386 4.276,387 1.342,388 2.598,389 1.588,390 3.956,391 2.187,392 1.226,393 1.635,395 3.011,396 1.165,397 2.468,398 1.188,399 3.483,400 1.995,401 1.035,402 1.442,404 2.509,405 0.988,406 1.878,407 1.076,408 3.242,409 1.416,410 0.541,411 0.692,413 1.372,414 0.463,415 1.583,416 0.936,417 2.818,418 1.291,419 0.425,420 0.479,422 0.62,423 0.364,424 0.815,425 0.408,426 2.697,427 0.452,428 -0.489,429 -0.568,431 -1.222,432 -0.452,433 0.59,434 -0.11,435 2.462,436 0.209,437 -0.733,438 -0.922,440 -1.674,441 -0.68,442 0.481,443 -0.384,444 2.179,445 0.124,446 -0.823,447 -1,449 -2.392,450 -0.734,451 0.421,452 -0.718,453 2,455 -0.946,456 -1,458 -2.733,459 -0.861,461 -1,462 2,464 -1,465 -1.043,467 -3,468 -1,469 10.267,470 0.489,471 0.685,472 0.033,473 26.25,474 1.25,475 13,476 0.619,477 13.25,478 0.631,479 18.908,480 0.9,481 22.733,482 0.583,483 16.098,484 0.767,485 4.684,486 0.223,487 5.302,488 0.252,489 0.195,490 0.049,491 0.282,496 0.696,497 1.167,498 0.738,499 1.01,500 0.82,501 0.982,502 0.979,503 1.097,504 0.846,505 0.96,506 0.771,507 0.756,508 0.902,509 1.465,510 0.919,511 1.226,512 0.963,513 1.229,514 1.08,515 0.92,516 0.777,517 0.698,518 1.039,519 0.771,520 1.096,521 0.852,522 1.559,523 1.124,524 0.895,525 0.83,526 0.816,527 1.383,528 1.106,529 1.257,530 0.76,531 1.205,532 1.612,533 0.773,534 1.26,535 0.893,536 1.875,537 1.066,538 0.771,539 1.089,540 1.141,541 1.287,542 1.213,543 1.439,544 5.5,546 2.889,547 1.507,548 1.121,549 0.91,550 0.587,551 0.26,552 0.198,553 0.123,554 3902,555 9812,556 2.034,557 46.2,558 9,559 9,567 1.636,568 1.867,569 3.008,570 -0.704,572 1,574 1,575 64.469,576 1.653,577 3.335,578 4.054,579 4.259,580 4.259,581 4.259,582 2.47,583 3.785,584 4.365,585 3.124,586 656.06,587 7.497,588 6769.71,589 1,590 1,591 1,592 1,593 206.131,594 1.691,595 4.295,596 0.239,598 0.085,599 0.046,600 0.039,601 0.035,602 0.023,603 0.015,604 0.016,605 0.015,606 0.514,607 0.33,608 1,609 0.988,610 93.141,611 0.177,612 -0.003,613 0.094,614 -0.019,615 0.019,616 -0.018,617 0.107,618 -0.025,619 0.194,620 0.097,621 0.188,622 0.223,623 0.044,624 -0.376,625 -0.038,626 -0.266,627 0.002,628 -0.281,629 -0.102,630 0.05,631 0.157,632 0.189,633 -0.017,634 0.169,635 -0.044,636 0.213,637 -0.154,638 0.08,639 0.047,640 0.161,641 0.152,642 -0.284,643 -0.137,644 -0.247,645 0.24,646 -0.249,647 -0.452,648 0.341,649 -0.329,650 -0.028,651 -0.567,652 -0.193,653 -0.116,654 -0.138,655 -0.314,656 -0.329,657 -0.401,658 -0.433,659 1.208,660 1.774,661 0.714,662 14.095,663 1,664 1.129,665 3.998,666 15.987,667 0.678,668 3.178,669 3.555,670 3.807,671 4.06,672 4.304,673 4.454,674 4.575,675 4.605,676 4.615,677 4.595,678 4.889,679 0.633,680 302.44,681 3.178,682 4.745,683 5.602,684 6.506,685 7.387,686 8.294,687 9.185,688 10.094,689 10.99,690 11.899,691 10.3,699 1,700 1,701 2,709 4,710 2,714 4,715 1,716 11,735 1,738 39,739 12,740 1,741 23,743 41,744 15,745 8,746 2,747 4,748 1,752 3,753 4,759 3,760 1,768 9,769 6,772 1,781 1,782 1,785 1,786 1,789 18,790 4,792 6,793 1,797 4,803 0.667,804 1,822 1,823 2,826 1,855 2,856 1,857 1,859 4,862 21,869 1,872 1,873 1,876 1,883 1,886 2.6,891 1,893 11.25,894 8.467,895 4.5,896 2.219,898 2.493,899 1.362,900 0.945,901 3.7,902 9.389,903 3.418,904 4.039,905 4.621,906 5.198,907 5.701,908 6.056,909 6.452,910 6.791,911 7.019,912 7.257,913 1,914 33,915 7.721,917 3.205,918 7.567,919 14.953,921 12.159,924 2.067,925 43.417,926 0.001,929 211.88,930 122.59,931 51.766,933 11,935 32.22,936 90.37,937 222.88,938 51.766,939 37.359,940 0.9,941 37.905,942 38.411,943 38.562,945 244.099,947 211.88,948 142.136,949 11,950 32.22,952 211.88,953 11,956 48.836,957 59.974,958 33.326,959 32.22,960 211.88,961 62.765,962 122.59,965 211.88,966 47.326,967 77.04,969 60.989,970 211.88,971 62.765,972 122.59,973 0.597,974 0.341,975 0.173,976 0.097,977 18,978 8,979 0.073,980 3,981 1,982 1.133,983 3.218,984 166.595,985 0.133,986 15,987 87.484,989 1,993 14.456,994 5.375,995 2.795,997 60.989,998 7.796,999 8.523,1003 3.333,1004 1.837,1006 397.235,1007 29.5,1016 4.755,1017 1.143,1020 38.996,1021 44.029,1022 0.313,1023 0.631,1024 0.767,1025 0.806,1026 0.806,1027 0.806,1028 4.689,1029 1.035,1030 5.652,1031 3.011,1032 4.234,1033 4.723,1034 3.306,1035 6.538,1036 4.118,1037 5.935,1038 0.541,1039 7.27,1040 2.509,1041 4.111,1042 4.649,1043 1.252,1044 7.789,1045 3.995,1046 7.28,1047 0.425,1048 9,1049 1.372,1050 5.964,1051 6.936,1052 5.504,1053 10.797,1054 5.772,1055 8.661,1056 -0.489,1057 10.796,1058 0.62,1059 6.621,1060 7.642,1061 2.795,1062 12.81,1063 6.434,1064 10.073,1065 -0.733,1066 12.634,1067 -1.222,1068 8.027,1069 9.44,1070 7.875,1071 15.423,1072 7.788,1073 11.506,1074 -0.823,1075 14.499,1076 -1.674,1077 8.997,1078 10.505,1079 5.165,1080 17.705,1081 8.754,1082 12.954,1083 -0.946,1084 16.383,1085 -2.392,1086 10.252,1087 12.096,1088 10.264,1089 20.201,1090 9.974,1091 3.348,1092 -1,1093 18.282,1094 -2.733,1095 11.348,1096 13.339,1097 7.756,1098 22.581,1099 11.059,1100 3.108,1101 11.763,1102 20.191,1103 -3,1104 12.552,1105 14.838,1106 12.657,1107 25.04,1108 12.238,1109 2.612,1110 10.833,1111 22.109,1112 4.26,1113 13.7,1114 16.173,1115 10.342,1116 27.459,1117 13.372,1118 2.17,1119 7.993,1120 24.032,1121 3.658,1122 14.889,1123 17.633,1124 15.049,1125 29.908,1126 14.541,1127 1.654,1128 6.493,1129 25.961,1130 3.461,1131 16.06,1132 19.016,1133 12.901,1134 32.342,1135 15.696,1136 1.519,1137 4.855,1138 27.893,1139 2.734,1140 17.247,1141 20.461,1142 17.442,1143 34.789,1144 16.865,1145 1.226,1146 4.276,1147 29.829,1148 2.101,1149 18.428,1150 21.87,1151 15.437,1152 37.232,1153 18.03,1154 3902,1155 6351,1156 14.909,1157 26.455,1158 35.945,1159 38.463,1160 36.202,1161 35.146,1162 35.276,1163 44.875,1164 11.116,1165 107.448,1166 33.055,1167 5.483,1168 6.492,1169 6.715,1170 5.49,1171 5.348,1172 7.26,1173 6.616,1174 18.979,1175 5.287,1176 11.178,1177 1.563,1178 1.672,1179 1.574,1180 1.528,1181 1.534,1182 1.951,1183 0.483,1184 4.672,1185 1.437,1186 4.036,1187 4.082,1188 4.135,1189 3.911,1190 5.122,1191 3.916,1192 3.827,1193 3.862,1194 3.821,1195 3.739,1196 4.827,1197 3.725,1198 3.647,1199 3.709,1200 3.567,1201 3.485,1202 4.526,1203 3.483,1204 3.251,1205 3.314,1206 3.317,1207 3.064,1208 4.348,1209 3.03,1210 3.149,1211 3.224,1212 3.038,1213 2.944,1214 4.086,1215 2.942,1216 2.874,1217 3.009,1218 2.797,1219 2.671,1220 3.672,1221 2.663,1222 2.874,1223 3.009,1224 2.637,1225 2.618,1226 3.485,1227 2.571,1228 2.803,1229 2.87,1230 2.53,1231 2.618,1232 3.467,1233 2.57,1234 0.199,1235 0.195,1236 0.31,1237 0.188,1238 0.146,1239 4.587,1240 0.185,1241 4.492,1242 0.144,1243 7.125,1244 0.511,1245 4.326,1246 0.143,1247 3.348,1248 4.26,1249 3.317,1250 11.763,1251 3.287,1252 1.906,1253 1.883,1254 2.011,1255 2.02,1256 1.244,1257 2.018,1258 1.809,1259 1.765,1260 1.984,1261 1.942,1262 1.092,1263 1.96,1264 1.449,1265 1.398,1266 1.579,1267 1.659,1268 0.822,1269 1.66,1270 1.22,1271 1.162,1272 1.538,1273 1.519,1274 0.578,1275 1.534,1276 1.113,1277 1.045,1278 1.417,1279 1.367,1280 0.469,1281 1.334,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.264,1291 1.239,1292 0.41,1293 1.308,1294 0.883,1295 0.801,1296 1.076,1297 1.165,1298 0.154,1299 1.152,1300 3.85,1302 5.209,1303 2.398,1304 6.76,1305 4.727,1306 8.393,1307 6.843,1308 10.068,1310 8.178,1315 0.861,1318 5.274,1319 1.676,1322 0.042,1326 24.675,1327 64.469,1328 130.073,1329 158.092,1330 166.092,1331 166.092,1332 166.092,1333 27.591,1334 6.896,1335 52.3,1336 77.6,1337 17,1338 12.417,1339 3.7,1340 2.907,1341 32.034,1342 61,1343 63,1344 0.267,1345 157.215,1346 264.64,1347 375.365,1348 7823,1350 15.035,1351 0.716,1352 0.64,1353 15.389,1354 13.438,1355 9.987,1356 0.434,1357 0.338,1358 6.779,1359 9.127,1360 6.329,1361 5.363,1362 10.441,1363 7.784,1364 9.742,1365 0.287,1366 0.202,1367 10.293,1368 6.878,1369 7.7,1370 0.175,1371 0.098,1372 8.396,1373 4.295,1374 6.236,1375 0.109,1376 0.055,1377 7.092,1378 3.141,1379 5.038,1380 0.069,1381 0.029,1382 5.851,1383 2.133,1384 0.403,1385 67.43,1386 0.259,1387 20.341,1388 0.781,1389 114,1390 321.176,1391 148.627,1392 331.916,1393 462.81,1394 312,1395 135,1396 342.935,1397 169.165,1398 360.923,1399 526.38,1400 334,1401 5.529}
{0 CHEMBL1322188,1 1.742,2 9.448,3 3.178,4 10.099,5 116.567,6 8.866,7 0.313,8 3.982,9 4.069,10 3.779,11 3.638,12 5.137,13 3.581,14 4.521,15 4.665,16 4.203,17 4.047,18 5.598,19 3.961,20 4.706,21 4.877,22 4.138,23 4.084,24 5.816,25 3.964,26 4.703,27 4.876,28 4.291,29 4.067,30 6.006,31 3.975,32 4.612,33 4.728,34 4.358,35 4.081,36 5.994,37 4.032,38 4.703,39 4.835,40 4.309,41 4.128,42 6.202,43 4.057,44 4.676,45 4.807,46 4.086,47 4.097,48 5.971,49 3.993,50 4.732,51 4.907,52 4.079,53 4.001,54 5.968,55 3.924,56 0.043,57 0.677,58 7.848,59 4.599,60 10.037,61 5.076,62 0.282,63 1.181,64 18.302,65 8.133,66 19.637,67 9.018,68 0.367,69 1.375,70 31.322,71 11.642,72 36.7,73 12.072,74 0.533,75 1.378,76 31.187,77 10.92,78 79.334,79 11.211,80 0.377,81 1.248,82 22.178,83 9.11,84 54.702,85 8.946,86 0.537,87 1.428,88 27.39,89 10.03,90 109.033,91 9.359,92 0.523,93 1.366,94 29.991,95 10.734,96 67.522,97 10.164,98 0.413,99 1.339,100 24.938,101 9.803,102 65.398,103 10.847,104 18,105 45,106 0.293,107 0.659,108 0.809,109 0.844,110 0.844,111 0.844,112 3.409,113 1.025,114 -2.66,115 -2.68,116 -2.61,120 43.8,121 1,122 2,126 3,136 1,137 1,139 1,140 1,143 4,152 1,153 3,159 3,174 3,176 2,177 9,185 8,188 1,189 4,197 2,200 5,201 7,209 6,213 1,214 7,222 3,226 3,227 11,235 8,239 3,240 5,247 2,252 13,260 5,264 6,271 5,274 1458,275 19.731,276 19.731,277 19.731,278 19.731,279 19.731,280 17.745,281 22.011,282 11.584,283 20.275,284 15.728,285 15.728,286 15.728,287 15.728,288 15.728,289 12.509,290 22.189,291 5.432,292 16.647,293 3.843,294 1.659,295 0.766,296 0.557,297 0.557,298 0.557,299 4.097,306 1,307 1,308 592,309 3.606,312 351.983,320 1.436,321 35.553,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 62.5,333 274,334 4.58,335 4.72,336 6.901,337 4.212,338 3.278,339 4.015,340 3.151,341 11.541,342 3.068,343 4.219,344 4.096,345 6.38,346 3.864,347 2.897,348 3.773,349 2.035,350 9.598,351 2.791,352 4.042,353 3.622,354 5.753,355 3.606,356 2.693,357 3.493,358 1.21,359 7.904,360 2.511,361 3.896,362 3.412,363 5.533,364 3.482,365 2.503,366 3.369,367 1.2,368 7.153,369 2.38,370 3.636,371 3.167,372 5.405,373 3.264,374 2.309,375 2.747,376 0.517,377 7.105,378 2.189,379 3.351,380 2.755,381 5.052,382 2.894,383 1.948,384 2.418,385 0.293,386 5.694,387 1.825,388 3.149,389 2.685,390 4.627,391 2.601,392 1.64,393 1.99,395 4.686,396 1.562,397 2.895,398 2.402,399 4.487,400 2.441,401 1.504,402 1.772,404 4.083,405 1.39,406 2.798,407 1.967,408 3.774,409 2.141,410 1.167,411 1.595,413 2.694,414 1.126,415 2.6,416 1.771,417 3.503,418 2.074,419 1.128,420 1.559,422 2.541,423 1.039,424 2.202,425 1.67,426 3.276,427 1.654,428 0.733,429 1.065,431 1.741,432 0.659,433 2.118,434 1.204,435 3.112,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 2.059,443 1.133,444 3.017,445 1.617,446 0.618,447 0.781,449 1.372,450 0.609,451 1.839,452 0.776,453 3,454 1.591,455 0.618,456 0.618,458 1.266,459 0.6,460 1.618,461 0.744,462 3,463 1.29,464 0.311,465 0.446,467 0.768,468 0.298,469 14.367,470 0.495,471 0.695,472 0.024,473 35.75,474 1.233,475 17,476 0.586,477 18.75,478 0.647,479 27.588,480 0.951,481 30.033,482 0.626,483 26.718,484 0.921,485 6.683,486 0.23,487 7.38,488 0.254,489 0.109,491 0.334,496 0.683,497 1.17,498 0.685,499 0.886,500 0.464,501 0.861,502 0.768,503 0.948,504 0.783,505 0.812,506 0.495,507 0.808,508 0.988,509 1.129,510 1.233,511 1.216,512 0.784,513 1.055,514 1.074,515 0.854,516 0.809,517 0.858,518 1.355,519 0.798,520 1.182,521 1.17,522 0.84,523 0.998,524 1.449,525 0.817,526 1.337,527 1.059,528 1.268,529 1.062,530 1.549,531 0.913,532 1.2,533 1.13,534 1.626,535 1.383,536 1.336,537 1.219,538 1.261,539 1.143,540 0.806,541 1.003,542 1.443,543 1.088,544 5.5,545 0.08,546 3.111,547 2.708,548 1.53,549 1.369,550 0.794,551 0.538,552 0.334,553 0.202,554 9948,555 29026,556 2.09,557 39.6,559 11,560 1,563 3,564 4,567 1.729,568 1.955,569 3.201,570 -0.717,572 1,575 83.619,576 1.742,577 3.926,578 4.819,579 5.028,580 5.028,581 5.028,582 2.654,583 4.28,584 4.826,585 3.387,586 1375,587 8.463,588 18441.5,590 1,592 1,593 268.078,594 1.416,595 4.788,596 0.172,597 0.004,598 0.069,599 0.066,600 0.034,601 0.027,602 0.016,603 0.013,604 0.009,605 0.007,606 0.416,607 0.33,608 1,609 0.729,610 144.711,611 -0.023,612 -0.144,613 0.068,614 0.003,615 0.028,616 0.004,617 0.057,618 0.106,619 0.134,620 0.143,621 0.04,622 0.106,623 -0.031,624 -0.117,625 -0.097,626 -0.124,627 0.025,628 -0.062,629 0.106,630 0.153,631 0.228,632 0.15,633 0.007,634 0.159,635 0.053,636 -0.135,637 0.16,638 0.004,639 -0.061,640 0.072,641 -0.061,642 0.071,643 -0.161,644 -0.017,645 0.077,646 -0.038,647 -0.082,648 -0.044,649 -0.48,650 -0.285,651 -0.102,652 -0.304,653 -0.106,654 -0.206,655 -0.004,656 -0.151,657 -0.135,658 -0.16,659 1.974,660 6.149,661 0.69,662 27.163,663 1.011,664 1.11,665 1.435,666 2.058,667 0.724,668 3.497,669 3.829,670 4.127,671 4.407,672 4.477,673 4.644,674 4.812,675 4.913,676 4.977,677 5.017,678 6.024,679 0.683,680 425.57,681 3.497,682 5.043,683 5.905,684 6.792,685 7.674,686 8.568,687 9.459,688 10.359,689 11.256,690 12.158,691 6.3,698 2,700 1,709 5,712 1,713 1,714 3,716 10,738 48,739 15,741 32,743 51,744 21,745 8,748 6,752 4,753 4,759 1,763 2,766 2,767 1,768 14,769 6,772 4,778 2,780 1,782 5,786 1,788 1,789 19,790 6,792 8,793 2,797 3,803 1,804 3,819 1,822 4,833 1,839 2,845 2,846 1,855 4,856 1,857 2,859 1,862 29,869 5,873 1,875 2,877 1,880 1,882 1,884 1,886 6.3,889 2,891 1,893 14.833,894 9.183,895 6.417,896 2.972,898 2.07,899 1.284,900 0.991,901 6.051,902 9.352,903 3.784,904 4.311,905 4.862,906 5.36,907 5.555,908 5.947,909 6.329,910 6.65,911 6.93,912 7.247,913 1,914 41,915 10.808,917 4.712,918 7.862,919 20.451,921 17.008,924 2.362,925 68.5,928 1,929 223.651,930 182.864,931 37.308,933 59.797,935 63.497,936 119.367,937 283.448,938 37.308,939 8.825,940 17.635,941 59.121,942 77.852,943 44.874,944 19.937,945 275.377,947 223.651,948 156.675,949 59.797,950 63.497,952 176.567,953 106.882,956 57.519,957 88.129,958 11.027,959 63.497,960 223.651,961 97.105,962 182.864,965 223.651,966 98.317,967 74.195,968 16.602,969 90.857,970 223.651,971 97.105,972 182.864,973 0.58,974 0.35,975 0.194,976 0.089,977 22,978 10,979 0.078,980 4,982 1,983 3.976,984 263.157,986 20,987 136.881,989 2,993 20.155,994 8.707,995 4.253,997 97.105,998 9.015,1001 5.401,1002 1.59,1003 2.704,1006 503.62,1007 43,1013 26.089,1015 1.822,1017 0.357,1020 48.509,1021 53.285,1022 0.312,1023 0.703,1024 0.863,1025 0.9,1026 0.9,1027 0.9,1028 5.047,1029 1.504,1030 5.894,1031 4.686,1032 4.511,1033 4.997,1034 3.565,1035 6.725,1036 4.4,1037 6.251,1038 1.167,1039 7.466,1040 4.083,1041 4.111,1042 4.732,1043 0.57,1044 7.656,1045 3.934,1046 7.56,1047 1.128,1048 9.138,1049 2.694,1050 6.12,1051 7.104,1052 5.479,1053 10.793,1054 5.896,1055 8.904,1056 0.733,1057 10.871,1058 2.541,1059 6.594,1060 7.714,1061 1.328,1062 12.585,1063 6.301,1064 10.281,1065 0.618,1066 12.644,1067 1.741,1068 8.034,1069 9.486,1070 7.654,1071 15.242,1072 7.693,1073 11.679,1074 0.618,1075 14.445,1076 1.372,1077 8.885,1078 10.482,1079 2.864,1080 17.392,1081 8.474,1082 13.096,1083 0.618,1084 16.267,1085 1.372,1086 10.127,1087 12.016,1088 9.904,1089 19.897,1090 9.663,1091 3.278,1092 0.311,1093 18.105,1094 1.266,1095 11.146,1096 13.196,1097 5.154,1098 22.204,1099 10.612,1100 2.897,1101 11.541,1102 19.957,1103 0.768,1104 12.322,1105 14.628,1106 12.181,1107 24.66,1108 11.73,1109 2.693,1110 9.598,1111 21.819,1112 4.015,1113 13.416,1114 15.897,1115 7.613,1116 27.037,1117 12.756,1118 2.503,1119 7.904,1120 23.69,1121 3.773,1122 14.575,1123 17.286,1124 14.469,1125 29.478,1126 13.853,1127 2.309,1128 7.153,1129 25.569,1130 3.493,1131 15.706,1132 18.6,1133 10.07,1134 31.888,1135 14.915,1136 1.948,1137 7.105,1138 27.455,1139 3.369,1140 16.864,1141 19.972,1142 16.761,1143 34.326,1144 16.009,1145 1.64,1146 5.694,1147 29.346,1148 2.747,1149 18.015,1150 21.311,1151 12.508,1152 36.751,1153 17.09,1154 9505,1155 16431,1156 21.383,1157 34.767,1158 49.984,1159 54.274,1160 49.265,1161 48.102,1162 47.927,1163 61.138,1164 16.812,1165 139.034,1166 45.328,1167 5.518,1168 6.667,1169 6.514,1170 5.368,1171 5.278,1172 6.783,1173 6.301,1174 19.183,1175 5.011,1176 13.602,1177 1.562,1178 1.696,1179 1.54,1180 1.503,1181 1.498,1182 1.911,1183 0.525,1184 4.345,1185 1.416,1186 3.996,1187 4.014,1188 4.267,1189 3.986,1190 7.431,1191 3.921,1192 3.879,1193 3.902,1194 4.061,1195 3.807,1196 7.425,1197 3.791,1198 3.856,1199 3.886,1200 3.815,1201 3.699,1202 6.818,1203 3.71,1204 3.708,1205 3.728,1206 3.728,1207 3.619,1208 5.073,1209 3.595,1210 3.429,1211 3.45,1212 3.406,1213 3.305,1214 4.692,1215 3.315,1216 3.143,1217 3.221,1218 3.055,1219 2.967,1220 4.31,1221 2.965,1222 2.971,1223 3.053,1224 2.928,1225 2.814,1226 4.229,1227 2.778,1228 2.967,1229 3.016,1230 2.91,1231 2.676,1232 3.89,1233 2.733,1234 0.143,1235 0.148,1236 0.216,1237 0.132,1238 0.102,1239 4.58,1240 0.125,1241 4.72,1242 0.098,1243 6.901,1244 0.361,1245 4.212,1246 0.096,1247 3.278,1248 4.015,1249 3.151,1250 11.541,1251 3.068,1252 1.701,1253 1.677,1254 1.86,1255 1.884,1256 1.211,1257 1.854,1258 1.657,1259 1.653,1260 1.792,1261 1.776,1262 1.015,1263 1.793,1264 1.577,1265 1.531,1266 1.769,1267 1.751,1268 0.963,1269 1.765,1270 1.563,1271 1.507,1272 1.715,1273 1.693,1274 0.885,1275 1.722,1276 1.532,1277 1.499,1278 1.638,1279 1.625,1280 0.869,1281 1.671,1282 1.393,1283 1.353,1284 1.575,1285 1.586,1286 0.649,1287 1.589,1288 1.3,1289 1.253,1290 1.432,1291 1.505,1292 0.531,1293 1.491,1294 1.155,1295 1.151,1296 1.32,1297 1.337,1298 0.39,1299 1.333,1300 4.174,1302 5.501,1303 3.714,1304 6.995,1305 5.974,1306 8.57,1307 7.96,1308 10.195,1310 2.007,1315 3.333,1319 1.185,1321 3.161,1324 9.779,1325 2.058,1326 32.797,1327 83.619,1328 188.463,1329 231.323,1330 241.323,1331 241.323,1332 241.323,1333 62.721,1334 7.283,1335 79.24,1336 135.72,1337 20,1338 12.68,1339 4,1340 3.585,1341 44.201,1342 100,1343 114,1344 0.209,1345 207.996,1346 370.61,1347 499.269,1348 12262,1350 20.38,1351 0.703,1352 0.604,1353 21.087,1354 17.516,1355 14.063,1356 0.439,1357 0.342,1358 9.328,1359 12.624,1360 8.956,1361 7.386,1362 14.879,1363 10.938,1364 12.565,1365 0.279,1366 0.204,1367 13.935,1368 9.171,1369 10.904,1370 0.179,1371 0.112,1372 12.418,1373 6.847,1374 9.167,1375 0.113,1376 0.066,1377 10.928,1378 5.313,1379 6.052,1380 0.07,1381 0.035,1382 7.45,1383 3.066,1384 0.317,1385 96.071,1386 0.216,1387 27.069,1388 0.609,1389 154,1390 485.863,1391 219.63,1392 508.228,1393 686.18,1394 474,1395 183,1396 465.869,1397 242.283,1398 501.255,1399 736.48,1400 471,1401 5}
{0 CHEMBL1322262,1 1.815,2 9.619,3 1.16,4 1.345,5 74.607,6 9.235,7 0.545,8 3.577,9 3.672,10 3.29,11 3.066,12 5.004,13 3.108,14 3.965,15 4.073,16 3.583,17 3.382,18 5.527,19 3.416,20 4.179,21 4.324,22 3.626,23 3.433,24 5.659,25 3.463,26 4.216,27 4.388,28 3.468,29 3.235,30 5.7,31 3.278,32 4.03,33 4.235,34 3.331,35 3.003,36 5.522,37 3.064,38 3.806,39 3.968,40 3.226,41 2.9,42 5.579,43 2.957,44 3.69,45 3.833,46 3.119,47 2.932,48 5.306,49 2.951,50 3.679,51 3.812,52 3.093,53 2.963,54 5.142,55 2.98,56 0.23,57 0.481,58 3.891,59 2.333,60 20.54,61 2.327,62 0.359,63 0.678,64 6.138,65 3.495,66 53.686,67 3.582,68 0.454,69 0.766,70 9.62,71 4.345,72 52.266,73 4.645,74 0.651,75 0.703,76 12.818,77 4.139,78 95.642,79 4.351,80 0.593,81 0.589,82 11.959,83 3.061,84 75.424,85 3.596,86 0.554,87 0.473,88 8.355,89 2.538,90 82.696,91 2.68,92 0.409,93 0.424,94 6.98,95 2.802,96 60.647,97 3.043,98 0.332,99 0.424,100 6.502,101 2.939,102 51.931,103 2.981,104 18,105 29,106 0.337,107 0.67,108 0.801,109 0.859,110 0.859,111 0.859,112 3.102,113 0.789,114 -2.61,115 -2.63,116 -2.56,120 41.9,143 5,144 2,145 2,146 2,156 1,159 1,167 2,170 1,174 4,176 1,177 6,180 1,182 3,185 3,188 1,189 11,194 5,197 2,201 7,204 1,206 1,213 2,214 2,217 2,218 1,219 1,222 1,226 3,227 1,230 3,232 1,235 3,240 1,243 3,245 1,247 3,251 1,252 3,257 2,260 3,263 2,264 5,271 2,274 557,275 13.897,276 13.897,277 13.897,278 13.897,279 13.897,280 11.791,281 11.865,282 8.362,283 14.102,284 10.823,285 10.823,286 10.823,287 10.823,288 10.823,289 7.738,290 10.36,291 3.94,292 11.108,293 3.14,294 1.342,295 0.633,296 0.323,297 0.323,298 0.323,299 3.761,306 1,307 1,308 416,309 3.317,313 154.305,320 1.388,321 33.872,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48,333 202,334 4.357,335 3.781,336 6.156,337 3.904,338 2.928,339 4.077,340 2.612,341 9.036,342 2.856,343 4.143,344 3.55,345 6.017,346 3.788,347 2.781,348 3.673,349 0.98,350 8.537,351 2.792,352 3.956,353 2.951,354 5.752,355 3.445,356 2.482,357 3.486,359 7.568,360 2.385,361 3.321,362 2.191,363 4.346,364 2.837,365 1.866,366 2.586,368 4.352,369 1.804,370 3.079,371 2.012,372 4.222,373 2.557,374 1.59,375 2.242,377 3.943,378 1.532,379 2.91,380 1.926,381 3.79,382 2.223,383 1.241,384 2.007,386 2.917,387 1.217,388 2.666,389 1.325,390 3.539,391 2.191,392 1.227,393 1.696,395 2.781,396 1.178,397 2.5,398 1.313,399 3.247,400 1.984,401 1,402 1.5,404 2.136,405 0.983,406 2.463,407 1,408 3.224,409 1.816,410 0.822,411 1.276,413 1.871,414 0.809,415 1.393,416 1,417 2.619,418 1.084,419 0.108,420 0.131,422 0.245,423 0.104,424 1.055,425 0.575,426 2.312,427 0.584,428 -0.378,429 -0.501,431 -0.877,432 -0.361,433 1,434 0.301,435 2.127,436 0.262,437 -0.746,438 -1.041,440 -1.61,441 -0.743,442 0.747,443 -0.481,444 1.736,445 0.136,446 -0.861,447 -1.316,449 -2,450 -0.863,451 0.641,452 -0.686,453 1.555,455 -1,456 -1.5,458 -2.347,459 -0.946,460 0.5,461 -0.824,462 1.507,463 -0.049,464 -1,465 -1.538,467 -2.397,468 -1,469 9.433,470 0.449,471 0.511,472 0.024,473 31.75,474 1.512,475 18.5,476 0.881,477 13.25,478 0.631,479 10.564,480 0.503,481 22.367,482 0.722,483 23.016,484 1.096,485 6.732,486 0.321,487 3.344,488 0.159,489 0.141,491 0.307,496 0.578,497 1.005,498 0.634,499 0.862,500 0.639,501 0.796,502 0.625,503 1.206,504 0.775,505 1.105,506 0.54,507 1.011,508 0.906,509 1.286,510 0.956,511 1.263,512 0.771,513 1.156,514 1.345,515 1.285,516 1.21,517 1.161,518 1.304,519 1.148,520 1.129,521 0.78,522 1.015,523 0.719,524 1.177,525 0.779,526 0.919,527 0.546,528 1.012,529 0.663,530 0.885,531 0.8,532 0.829,533 0.774,534 0.906,535 0.888,536 0.968,537 0.929,538 1.069,539 0.894,540 0.987,541 1.04,542 1.227,543 1.019,544 4,545 0.078,546 2.667,547 1.25,548 0.884,549 0.59,550 0.284,551 0.203,552 0.177,553 0.121,554 4410,555 18288,556 1.968,557 32.3,559 5,561 3,562 2,567 1.628,568 1.826,569 3.271,570 0.472,572 1,574 1,575 56.255,576 1.815,577 3.612,578 4.322,579 4.632,580 4.632,581 4.632,582 2.661,583 3.88,584 4.368,585 3.41,586 716.045,587 7.46,588 7952.24,589 1,590 1,593 153.58,594 1.461,595 4.311,596 0.182,597 0.007,598 0.092,599 0.043,600 0.038,601 0.03,602 0.016,603 0.012,604 0.01,605 0.008,606 0.438,607 0.5,608 1,609 0.874,610 96.672,611 0.091,612 0.167,613 0.006,614 0.131,615 -0.077,616 0.046,617 0.073,618 -0.095,619 -0.07,620 -0.103,621 0.116,622 -0.123,623 -0.1,624 -0.273,625 -0.092,626 -0.276,627 -0.012,628 -0.2,629 -0.279,630 -0.375,631 -0.162,632 -0.219,633 -0.231,634 -0.17,635 -0.077,636 0.178,637 0.103,638 0.159,639 -0.145,640 0.193,641 0.204,642 0.448,643 0.001,644 0.237,645 0.206,646 0.103,647 0.157,648 0.167,649 0.049,650 0.134,651 0.076,652 0.069,653 -0.118,654 0.038,655 -0.072,656 0.013,657 -0.196,658 -0.012,659 2.591,660 4.672,661 0.571,662 15.832,663 1.044,664 1.131,665 1.378,666 1.899,667 0.681,668 3.135,669 3.401,670 3.584,671 3.689,672 3.85,673 3.738,674 3.638,675 3.497,676 3.555,677 3.584,678 5.874,679 0.694,680 286.27,681 3.135,682 4.635,683 5.442,684 6.275,685 7.101,686 7.935,687 8.766,688 9.601,689 10.433,690 11.269,691 12.9,698 1,700 1,701 1,702 1,709 7,710 1,714 4,716 12,731 1,734 1,738 31,739 16,740 1,741 22,743 32,744 13,745 11,746 3,747 3,748 2,752 2,753 2,755 1,768 13,772 4,775 1,778 3,780 1,781 1,782 1,785 1,786 1,789 10,790 7,791 2,792 8,797 4,803 1,804 4,816 1,823 2,855 2,862 21,868 1,871 1,886 12.9,888 1,889 1,892 2,893 11.5,894 5.467,895 4.75,896 1.563,898 2.859,899 1.459,900 0.914,901 4.59,902 9.081,903 3.497,904 4.06,905 4.554,906 5.021,907 5.514,908 5.608,909 5.764,910 5.708,911 6.019,912 6.303,913 1,914 29,915 7.677,917 3.242,918 8.444,919 13.566,921 10.305,924 2.944,925 61.833,929 94.169,930 88.356,931 57.007,933 118.575,936 88.356,937 212.744,938 57.007,939 5.67,940 17.888,941 47.381,942 133.679,943 43.886,945 58.856,946 50.747,947 94.169,948 145.363,949 118.575,952 94.169,953 67.828,954 50.747,956 52.646,957 61.214,958 31.503,960 94.169,961 175.582,962 88.356,965 94.169,966 13.833,967 80.194,968 17.888,969 152.024,970 94.169,971 175.582,972 88.356,973 0.574,974 0.328,975 0.157,976 0.084,977 12,978 6,979 0.125,980 4,982 1,983 3.363,984 145.478,986 12,987 86.239,993 14.626,994 6.59,995 3.843,997 169.912,998 9.45,999 3.778,1003 0.127,1005 60.572,1006 358.107,1007 32,1010 -0.591,1013 32.942,1015 1.126,1016 3.652,1017 -0.46,1020 32.367,1021 35.076,1022 0.366,1023 0.729,1024 0.872,1025 0.935,1026 0.935,1027 0.935,1028 4.682,1029 1,1030 5.407,1031 2.781,1032 4.078,1033 4.745,1034 2.648,1035 6.142,1036 4.032,1037 5.89,1038 0.822,1039 6.932,1040 2.136,1041 3.611,1042 4.511,1043 2.361,1044 6.94,1045 3.558,1046 7.184,1047 0.108,1048 8.561,1049 1.871,1050 5.602,1051 6.91,1052 4.183,1053 9.961,1054 5.521,1055 8.513,1056 -0.378,1057 10.248,1058 0.245,1059 5.943,1060 7.478,1061 4.506,1062 11.56,1063 5.859,1064 9.872,1065 -0.746,1066 11.973,1067 -0.877,1068 7.408,1069 9.347,1070 5.953,1071 14.072,1072 7.299,1073 11.25,1074 -0.861,1075 13.72,1076 -1.61,1077 8.116,1078 10.29,1079 6.556,1080 15.987,1081 8.003,1082 12.645,1083 -1,1084 15.484,1085 -2,1086 9.355,1087 11.923,1088 7.795,1089 18.304,1090 9.22,1091 2.928,1092 -1,1093 17.257,1094 -2.347,1095 10.238,1096 13.058,1097 8.548,1098 20.357,1099 10.096,1100 2.781,1101 9.036,1102 19.038,1103 -2.397,1104 11.374,1105 14.573,1106 9.67,1107 22.593,1108 11.214,1109 2.482,1110 8.537,1111 20.824,1112 4.077,1113 12.342,1114 15.814,1115 10.509,1116 24.711,1117 12.172,1118 1.866,1119 7.568,1120 22.613,1121 3.673,1122 13.432,1123 17.268,1124 11.563,1125 26.914,1126 13.244,1127 1.59,1128 4.352,1129 24.405,1130 3.486,1131 14.443,1132 18.57,1133 12.452,1134 29.063,1135 14.242,1136 1.241,1137 3.943,1138 26.199,1139 2.586,1140 15.513,1141 19.992,1142 13.468,1143 31.252,1144 15.295,1145 1.227,1146 2.917,1147 27.994,1148 2.242,1149 16.546,1150 21.33,1151 14.386,1152 33.417,1153 16.312,1154 4457,1155 9198,1156 14.216,1157 21.125,1158 32.609,1159 34.29,1160 33.134,1161 32.113,1162 32.09,1163 45.348,1164 7.184,1165 86.769,1166 31.319,1167 5.133,1168 5.781,1169 5.958,1170 4.94,1171 4.928,1172 7.077,1173 4.612,1174 15.265,1175 4.856,1176 11.303,1177 1.482,1178 1.559,1179 1.506,1180 1.46,1181 1.459,1182 2.061,1183 0.327,1184 3.944,1185 1.424,1186 4.002,1187 4.026,1188 3.97,1189 3.876,1190 7.815,1191 3.889,1192 3.885,1193 3.92,1194 3.837,1195 3.773,1196 7.429,1197 3.782,1198 3.555,1199 3.592,1200 3.534,1201 3.187,1202 6.999,1203 3.255,1204 3.37,1205 3.418,1206 3.32,1207 3,1208 6.469,1209 3.085,1210 3.06,1211 3.098,1212 2.987,1213 2.861,1214 4.889,1215 2.886,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.747,1221 2.715,1222 2.74,1223 2.77,1224 2.634,1225 2.441,1226 4.43,1227 2.478,1228 2.659,1229 2.726,1230 2.531,1231 2.333,1232 3.764,1233 2.402,1234 0.198,1235 0.172,1236 0.28,1237 0.177,1238 0.133,1239 4.357,1240 0.185,1241 3.781,1242 0.119,1243 6.156,1244 0.411,1245 3.904,1246 0.13,1247 2.928,1248 4.077,1249 2.612,1250 9.036,1251 2.856,1252 1.919,1253 1.899,1254 1.997,1255 2.086,1256 1.087,1257 2.045,1258 1.839,1259 1.808,1260 1.941,1261 1.978,1262 0.966,1263 1.967,1264 1.329,1265 1.278,1266 1.447,1267 1.723,1268 0.372,1269 1.626,1270 1.148,1271 1.115,1272 1.232,1273 1.549,1274 0.218,1275 1.475,1276 0.983,1277 0.944,1278 1.181,1279 1.212,1280 0.153,1281 1.197,1282 0.886,1283 0.821,1284 1.161,1285 1.062,1286 0.071,1287 1.107,1288 0.62,1289 0.554,1290 0.876,1291 0.977,1293 0.927,1294 0.52,1295 0.482,1296 0.768,1297 0.885,1299 0.887,1300 3.807,1302 5.081,1304 6.55,1306 8.101,1308 9.693,1314 9.564,1317 2.245,1326 21.525,1327 56.255,1328 111.97,1329 133.97,1330 143.58,1331 143.58,1332 143.58,1333 50.819,1334 6.223,1335 120.4,1336 120.4,1337 12,1338 11.838,1339 4.087,1340 3.459,1341 39.484,1342 75,1343 63,1344 0.259,1345 137.5,1346 242.34,1347 327.259,1348 3662,1350 15.242,1351 0.726,1352 0.506,1353 15.242,1354 10.632,1355 10.075,1356 0.458,1357 0.263,1358 5.664,1359 9.475,1360 5.593,1361 4.664,1362 10.075,1363 5.785,1364 8.861,1365 0.306,1366 0.136,1367 8.861,1368 3.935,1369 7.035,1370 0.201,1371 0.072,1372 7.035,1373 2.534,1374 5.1,1375 0.131,1376 0.038,1377 5.1,1378 1.487,1379 3.973,1380 0.086,1381 0.02,1382 3.973,1383 0.902,1384 0.412,1385 64.96,1386 0.265,1387 21.19,1388 0.69,1389 102,1390 432.624,1391 116.991,1392 412.053,1393 531.54,1394 376,1395 115,1396 377.243,1397 129.607,1398 374.207,1399 529.08,1400 348,1401 6.18}
{0 CHEMBL1322482,1 1.32,2 11.207,3 4.189,4 17.544,5 116.511,6 6.38,7 0.182,8 4.208,9 4.328,10 3.662,11 3.754,12 5.084,13 3.702,14 4.86,15 5.044,16 4.05,17 4.241,18 5.653,19 4.159,20 5.204,21 5.426,22 4.109,23 4.464,24 5.972,25 4.321,26 5.315,27 5.599,28 3.934,29 4.386,30 6.055,31 4.202,32 5.069,33 5.333,34 3.862,35 4.198,36 5.906,37 4.047,38 4.98,39 5.233,40 3.807,41 4.107,42 5.861,43 3.981,44 4.854,45 5.066,46 3.771,47 4.104,48 5.711,49 3.968,50 4.945,51 5.215,52 3.692,53 4.086,54 5.731,55 3.912,56 0.051,57 0.848,58 15.18,59 6.697,60 7.449,61 9.079,62 0.254,63 1.509,64 29.834,65 11.738,66 22.589,67 16.268,68 0.339,69 2.027,70 41.706,71 16.79,72 29.967,73 23.575,74 0.472,75 2.059,76 46.794,77 17.694,78 50.943,79 25.313,80 0.277,81 1.656,82 36.509,83 13.945,84 39.785,85 19.831,86 0.394,87 1.487,88 34.022,89 12.168,90 49.576,91 17.08,92 0.339,93 1.391,94 29.582,95 11.796,96 31.93,97 16.315,98 0.376,99 1.461,100 32.119,101 12.681,102 43.748,103 18.073,104 6,105 48,106 0.215,107 0.503,108 0.718,109 0.767,110 0.767,111 0.767,112 3.408,113 1.03,114 -4.58,115 -4.5,116 -4.24,120 40.3,122 6,123 3,124 1,125 1,126 5,136 2,143 3,144 2,145 1,157 1,174 18,177 5,185 26,188 1,189 7,197 22,200 1,201 7,209 12,214 9,222 11,227 5,235 14,239 1,240 2,247 15,251 2,252 4,260 12,264 7,271 6,274 1290,275 19.944,276 19.944,277 19.944,278 19.944,279 19.944,280 18.998,281 19.897,282 11.605,283 20.355,284 16.284,285 16.284,286 16.284,287 16.284,288 16.284,289 14.672,290 26.298,291 5.499,292 16.805,293 4.634,294 2.859,295 1.541,296 1.239,297 1.239,298 1.239,299 4.121,306 1,307 1,308 735,309 3.674,313 527.37,315 332.19,320 1.717,321 22.013,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 61.5,333 325,334 4.608,335 3.987,336 7.651,337 4.557,338 3.549,339 3.935,340 1.277,341 14.067,342 3.575,343 4.283,344 3.215,345 6.199,346 3.907,347 2.935,348 3.717,349 0.916,350 9.295,351 2.855,352 3.747,353 2.944,354 5.751,355 3.642,356 2.635,357 3.001,358 0.86,359 8.067,360 2.651,361 3.607,362 2.819,363 5.339,364 3.402,365 2.469,366 2.718,367 0.86,368 6.973,369 2.317,370 3.454,371 2.379,372 5.247,373 3.21,374 2.243,375 2.497,376 0.172,377 6.588,378 2.144,379 3,380 2.309,381 5.061,382 3,383 2,384 2.01,386 6.076,387 2,388 3,389 2.207,390 5.061,391 3,392 2,393 2,395 6.076,396 2,397 2.988,398 2,399 4.775,400 2.645,401 1.619,402 2,404 4.515,405 1.659,406 2.869,407 2,408 4.33,409 2.541,410 1.601,411 1.982,413 4.09,414 1.497,415 2.424,416 1.782,417 3.58,418 2.214,419 1.322,420 1.422,422 2.973,423 1.164,424 2.293,425 1.256,426 3.396,427 1.952,428 1,429 1,431 2.136,432 0.946,433 2,434 1.137,435 3.396,436 1.697,437 0.748,438 0.967,440 1.526,441 0.697,442 1.779,443 0.847,444 3.314,445 1.366,446 0.388,447 0.545,449 0.791,450 0.376,451 1.134,452 0.393,453 3.247,454 1,460 1,462 3.008,463 1,469 13.9,470 0.479,471 0.712,472 0.025,473 28,474 0.966,475 9.5,476 0.328,477 18.5,478 0.638,479 32.88,480 1.134,481 32.9,482 0.531,483 18.789,484 0.648,485 4.671,486 0.161,487 9.461,488 0.326,489 0.06,490 0.036,491 0.281,496 0.745,497 1.318,498 0.908,499 1.21,500 0.554,501 1.096,502 1.181,503 1.019,504 1.043,505 0.982,506 0.68,507 0.987,508 0.826,509 1.196,510 1.129,511 1.216,512 0.796,513 1.208,514 0.874,515 0.926,516 0.935,517 0.939,518 1.361,519 0.947,520 0.865,521 1.058,522 0.914,523 1.036,524 1.254,525 0.99,526 1.451,527 0.825,528 1.01,529 0.832,530 1.855,531 0.862,532 0.992,533 1.168,534 1.157,535 1.198,536 0.957,537 1.2,538 0.541,539 0.998,540 0.895,541 1.024,542 0.756,543 1.008,544 7.5,545 0.14,546 2.667,547 1.938,548 1.418,549 1.014,550 0.403,551 0.359,552 0.299,553 0.222,554 12069,555 22438,556 2.184,557 53.2,558 15,559 18,567 1.718,568 2.084,569 3.458,570 -0.853,572 1,575 81.844,576 1.32,577 3.096,578 4.413,579 4.716,580 4.716,581 4.716,582 2.879,583 4.228,584 4.835,585 3.647,586 1480.8,587 8.408,588 20297.4,590 1,593 369.16,594 1.373,595 4.801,596 0.227,597 0.005,598 0.056,599 0.041,600 0.037,601 0.028,602 0.012,603 0.011,604 0.01,605 0.008,606 0.436,607 0.33,608 0.88,609 0.601,610 147.859,611 0.027,612 -0.088,613 0.088,614 -0.024,615 0.041,616 0.029,617 -0.128,618 0.121,619 -0.027,620 0.091,621 0.001,622 0.052,623 -0.019,624 -0.134,625 -0.158,626 -0.168,627 0.019,628 -0.178,629 0.009,630 0.015,631 0.03,632 0.026,633 -0.058,634 0.028,635 0.02,636 -0.082,637 0.057,638 -0.047,639 0.009,640 0.001,641 -0.139,642 0.157,643 0.014,644 0.132,645 -0.135,646 0.099,647 0.029,648 -0.129,649 -0.164,650 -0.15,651 -0.068,652 -0.175,653 0.196,654 -0.03,655 0.056,656 -0.026,657 0.103,658 -0.006,659 1.297,660 6.261,661 0.759,662 25.705,663 0.987,664 1.125,665 3.35,666 11.223,667 0.638,668 3.526,669 3.892,670 4.19,671 4.511,672 4.804,673 4.905,674 5.017,675 5.05,676 4.934,677 4.977,678 6.881,679 0.59,680 395.59,681 3.526,682 5.094,683 5.964,684 6.87,685 7.757,686 8.671,687 9.565,688 10.485,689 11.383,690 12.308,691 1.6,694 1,709 3,714 3,716 6,735 1,738 62,739 8,740 1,741 33,743 66,744 25,745 6,746 3,747 3,748 3,752 5,753 9,760 1,762 1,763 6,764 3,766 6,768 9,769 16,770 3,772 2,778 1,780 2,782 1,786 1,789 33,790 4,792 4,797 1,803 0.6,804 3,823 6,825 3,836 1,845 2,851 1,854 1,855 3,859 1,862 29,869 11,872 2,874 3,875 1,876 1,886 4.8,889 1,890 1,891 1,893 13.917,894 11.117,895 6.236,896 4.064,898 1.772,899 1.223,900 0.961,901 5.361,902 9.725,903 3.664,904 4.151,905 4.627,906 5.074,907 5.553,908 5.765,909 6.039,910 6.276,911 6.53,912 6.688,913 1,914 47,915 10.879,917 4.785,918 7.445,919 21.969,921 19.789,924 1.945,925 56.417,928 1,929 388.446,930 105.721,931 3.124,933 47.145,936 105.721,937 435.591,938 3.124,939 10.883,940 30.709,941 47.381,942 41.278,943 25.739,945 388.446,947 388.446,948 108.846,949 47.145,952 388.446,953 36.145,954 11,956 33.833,957 56.06,958 18.952,960 388.446,961 50.269,962 105.721,965 388.446,966 47.457,967 61.389,969 47.145,970 388.446,971 50.269,972 105.721,973 0.587,974 0.346,975 0.192,976 0.109,977 26,978 10,979 0.091,980 6,981 6,982 1.364,983 4.156,984 265.347,985 0.545,986 18,987 122.617,993 19.481,994 7.981,995 3.952,997 50.269,998 6.271,1003 3.187,1006 544.437,1007 38,1013 13.261,1015 3.913,1017 0.377,1020 61.221,1021 69.77,1022 0.222,1023 0.52,1024 0.741,1025 0.792,1026 0.792,1027 0.792,1028 4.966,1029 1.619,1030 5.979,1031 6.076,1032 4.575,1033 4.836,1034 2.166,1035 6.851,1036 4.533,1037 6.134,1038 1.601,1039 7.573,1040 4.515,1041 4.29,1042 4.62,1043 0.325,1044 8.085,1045 4.268,1046 7.441,1047 1.322,1048 9.279,1049 4.09,1050 6.263,1051 6.833,1052 2.248,1053 11.179,1054 6.211,1055 8.776,1056 1,1057 11.061,1058 2.973,1059 6.804,1060 7.425,1061 0.393,1062 13.339,1063 6.78,1064 10.15,1065 0.748,1066 12.897,1067 2.136,1068 8.287,1069 9.159,1070 2.486,1071 16.068,1072 8.248,1073 11.551,1074 0.388,1075 14.777,1076 1.526,1077 9.22,1078 10.125,1079 0.384,1080 18.567,1081 9.209,1082 12.973,1084 16.69,1085 0.791,1086 10.531,1087 11.665,1088 2.829,1089 21.22,1090 10.518,1091 3.549,1093 18.63,1095 11.645,1096 12.814,1097 0.351,1098 23.821,1099 11.656,1100 2.935,1101 14.067,1102 20.592,1104 12.904,1105 14.266,1106 3.238,1107 26.463,1108 12.921,1109 2.635,1110 9.295,1111 22.571,1112 3.935,1113 14.098,1114 15.507,1115 0.312,1116 29.094,1117 14.133,1118 2.469,1119 8.067,1120 24.563,1121 3.717,1122 15.346,1123 16.915,1124 3.684,1125 31.735,1126 15.391,1127 2.243,1128 6.973,1129 26.565,1130 3.001,1131 16.576,1132 18.204,1133 0.273,1134 34.375,1135 16.635,1136 2,1137 6.588,1138 28.575,1139 2.718,1140 17.826,1141 19.59,1142 4.15,1143 37.017,1144 17.896,1145 2,1146 6.076,1147 30.59,1148 2.497,1149 19.073,1150 20.907,1151 0.236,1152 39.66,1153 19.155,1154 11003,1155 15086,1156 22.652,1157 39.552,1158 50.168,1159 51.42,1160 51.44,1161 49.08,1162 49.018,1163 55.59,1164 8.173,1165 146.343,1166 47.763,1167 5.608,1168 5.987,1169 7.453,1170 5.66,1171 5.549,1172 6.935,1173 2.555,1174 21.38,1175 5.575,1176 9.808,1177 1.52,1178 1.558,1179 1.559,1180 1.487,1181 1.485,1182 1.685,1183 0.248,1184 4.435,1185 1.447,1186 4.096,1187 4.134,1188 4.005,1189 4.018,1190 7.427,1191 4.009,1192 3.961,1193 3.991,1194 3.896,1195 3.888,1196 4.862,1197 3.886,1198 3.753,1199 3.805,1200 3.637,1201 3.55,1202 4.619,1203 3.562,1204 3.55,1205 3.572,1206 3.474,1207 3.42,1208 4.457,1209 3.427,1210 3.268,1211 3.323,1212 3.13,1213 3.096,1214 4.401,1215 3.092,1216 3.228,1217 3.304,1218 3.039,1219 3.096,1220 4.052,1221 3.073,1222 3.228,1223 3.304,1224 3.039,1225 3.095,1226 3.908,1227 3.073,1228 3.177,1229 3.246,1230 3.006,1231 2.954,1232 3.569,1233 2.952,1234 0.14,1235 0.121,1236 0.232,1237 0.138,1238 0.108,1239 4.608,1240 0.119,1241 3.987,1242 0.039,1243 7.651,1244 0.426,1245 4.557,1246 0.108,1247 3.549,1248 3.935,1249 1.277,1250 14.067,1251 3.575,1252 2.076,1253 2.04,1254 2.239,1255 2.179,1256 1.705,1257 2.201,1258 1.94,1259 1.918,1260 2.046,1261 2.047,1262 1.275,1263 2.048,1264 1.695,1265 1.638,1266 1.906,1267 1.916,1268 1.119,1269 1.916,1270 1.514,1271 1.488,1272 1.677,1273 1.674,1274 0.959,1275 1.672,1276 1.262,1277 1.192,1278 1.565,1279 1.503,1280 0.947,1281 1.523,1282 1.262,1283 1.192,1284 1.562,1285 1.445,1286 0.947,1287 1.489,1288 1.237,1289 1.184,1290 1.562,1291 1.445,1292 0.825,1293 1.489,1294 1.157,1295 1.081,1296 1.513,1297 1.391,1298 0.699,1299 1.429,1300 4.205,1302 5.557,1304 7.13,1306 8.813,1308 10.555,1310 1.726,1315 11.869,1318 11.045,1320 2.416,1321 2.398,1322 -0.047,1326 36.595,1327 81.844,1328 191.925,1329 273.611,1330 292.366,1331 292.366,1332 292.366,1333 48.777,1334 7.953,1335 38.77,1336 38.77,1337 30,1338 12.819,1339 3.17,1340 2.585,1341 39.726,1342 122,1343 111,1344 0.157,1345 217.758,1346 392.53,1347 523.09,1348 33449,1350 19.847,1351 0.684,1352 0.606,1353 19.847,1354 17.569,1355 14.132,1356 0.428,1357 0.343,1358 11.203,1359 13.665,1360 10.913,1361 8.936,1362 14.132,1363 11.33,1364 13.106,1365 0.273,1366 0.205,1367 13.106,1368 9.855,1369 11.273,1370 0.173,1371 0.12,1372 11.273,1373 7.79,1374 9.936,1375 0.11,1376 0.075,1377 9.936,1378 6.787,1379 8.38,1380 0.069,1381 0.044,1382 8.38,1383 5.309,1384 0.25,1385 88.098,1386 0.21,1387 27.626,1388 0.425,1389 162,1390 368.852,1391 171.942,1392 348.464,1393 476.19,1394 330,1395 194,1396 337.931,1397 204.748,1398 346.183,1399 508.81,1400 324,1401 4.338}
{0 CHEMBL1322780,1 1.496,2 13.091,3 4.114,4 16.928,5 166.91,6 7.799,7 0.367,8 4.441,9 4.53,10 4.044,11 3.995,12 5.611,13 3.992,14 4.967,15 5.103,16 4.421,17 4.396,18 6.073,19 4.382,20 5.206,21 5.343,22 4.619,23 4.598,24 6.348,25 4.578,26 5.382,27 5.534,28 4.68,29 4.679,30 6.596,31 4.649,32 5.497,33 5.682,34 4.684,35 4.727,36 6.657,37 4.683,38 5.506,39 5.685,40 4.744,41 4.721,42 6.811,43 4.68,44 5.53,45 5.713,46 4.658,47 4.728,48 6.678,49 4.682,50 5.48,51 5.674,52 4.652,53 4.749,54 6.573,55 4.681,56 0.096,57 0.99,58 14.165,59 7.319,60 14.896,61 8.463,62 0.416,63 1.62,64 27.856,65 12.223,66 39.645,67 14.484,68 0.536,69 2.081,70 34.95,71 15.164,72 60.147,73 18.173,74 0.81,75 2.425,76 43.957,77 17.878,78 98.243,79 21.357,80 0.914,81 2.693,82 52.626,83 20.003,84 110.686,85 24.663,86 1.364,87 2.677,88 53.298,89 20.368,90 195.334,91 25.625,92 1.356,93 2.698,94 56.671,95 20.378,96 170.528,97 24.302,98 0.724,99 2.676,100 51.032,101 20.905,102 88,103 26.878,104 59,105 71,106 0.227,107 0.584,108 0.742,109 0.831,110 0.866,111 0.891,112 3.811,113 0.87,114 -3.16,115 -3.16,116 -3.03,120 46.1,121 1,122 2,123 2,125 3,137 3,138 1,139 2,143 11,144 2,145 5,157 1,158 1,159 1,174 16,177 13,180 1,182 4,185 20,188 1,189 14,192 1,194 5,197 15,200 2,201 18,204 2,206 8,209 17,213 1,214 9,219 2,222 14,226 4,227 16,230 5,231 1,232 6,235 21,239 2,240 11,243 1,245 3,247 20,251 1,252 12,255 1,257 6,260 17,263 2,264 19,267 1,269 6,271 16,274 4540,275 30.11,276 30.11,277 30.11,278 30.11,279 30.11,280 26.708,281 39.057,282 17.287,283 30.837,284 23.963,285 23.963,286 23.963,287 23.963,288 23.963,289 18.58,290 48.451,291 7.874,292 24.835,293 4.752,294 2.4,295 1.363,296 0.774,297 0.543,298 0.382,299 4.52,307 1,308 1256,309 3.873,313 716.419,317 367.179,320 2.054,321 60.473,324 0.75,325 0.5,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.73,332 96,333 576,334 4.709,335 3.93,336 7.206,337 4.406,338 3.413,339 4.187,340 1.36,341 12.722,342 3.391,343 4.413,344 3.617,345 6.603,346 4.056,347 3.066,348 3.989,349 1.058,350 10.423,351 3.038,352 4.311,353 3.46,354 6.406,355 3.959,356 2.979,357 3.929,358 1.045,359 9.814,360 2.926,361 4.227,362 3.237,363 6.242,364 3.829,365 2.871,366 3.811,367 0.86,368 9.316,369 2.751,370 4.092,371 3.056,372 6.128,373 3.695,374 2.729,375 3.5,376 0.86,377 8.95,378 2.626,379 3.816,380 2.956,381 5.969,382 3.466,383 2.486,384 3.177,385 0.86,386 8.362,387 2.422,388 3.71,389 2.824,390 5.828,391 3.333,392 2.354,393 3.002,394 0.86,395 7.828,396 2.297,397 3.477,398 2.758,399 5.22,400 3.043,401 2.08,402 2.653,403 0.765,404 6.182,405 1.992,406 3.182,407 2.628,408 4.976,409 2.798,410 1.82,411 2.314,412 0.391,413 5.31,414 1.77,415 3.1,416 2.315,417 4.793,418 2.705,419 1.745,420 2.191,422 4.96,423 1.668,424 2.919,425 2.182,426 4.57,427 2.53,428 1.614,429 2.086,431 4.454,432 1.492,433 2.917,434 1.95,435 4.421,436 2.517,437 1.563,438 2.064,440 4.12,441 1.461,442 2.909,443 1.933,444 4.307,445 2.469,446 1.508,447 2.057,449 3.9,450 1.439,451 2.807,452 1.535,453 4.218,454 2.39,455 1.4,456 1.876,458 3.456,459 1.382,460 2.704,461 1.506,462 3.659,463 2.375,464 1.381,465 1.72,467 3.017,468 1.368,469 20.633,470 0.469,471 1.093,472 0.025,473 57.75,474 1.313,475 29.5,476 0.67,477 28.25,478 0.642,479 45.739,480 1.04,481 46.567,482 0.613,483 56.375,484 1.281,485 11.805,486 0.268,487 9.533,488 0.217,489 0.145,491 0.412,496 0.81,497 1.14,498 0.738,499 1.047,500 0.679,501 0.906,502 1.006,503 0.967,504 0.792,505 0.867,506 0.687,507 0.802,508 0.933,509 1.117,510 0.896,511 1.044,512 0.95,513 0.972,514 1.097,515 1.147,516 1.033,517 1.106,518 1.202,519 1.064,520 1.128,521 1.048,522 1.014,523 0.999,524 1.298,525 0.978,526 0.857,527 1.049,528 0.906,529 1.019,530 1.086,531 0.982,532 1.41,533 0.867,534 1.126,535 0.831,536 1.723,537 0.902,538 0.771,539 1.093,540 0.918,541 1.071,542 0.79,543 1.032,544 8,545 0.462,546 5.556,547 3.75,548 4.022,549 2.618,550 1.601,551 1.385,552 0.883,553 0.626,554 30245,555 83496,556 2.095,557 42.1,558 2,559 20,560 1,562 2,563 2,564 5,567 1.831,568 1.941,569 3.619,570 0.081,575 113.666,576 1.496,577 3.848,578 4.885,579 5.474,580 5.705,581 5.866,582 3.127,583 5.414,584 5.424,585 3.836,586 3628.64,587 9.665,588 63190.1,593 474.842,594 1.469,595 5.382,596 0.163,597 0.008,598 0.078,599 0.045,600 0.047,601 0.03,602 0.018,603 0.016,604 0.011,605 0.008,606 0.424,607 0.33,608 0.75,609 0.81,610 249.471,611 -0.051,612 -0.055,613 0.047,614 -0.021,615 -0.06,616 0.025,617 -0.076,618 0.074,619 0.093,620 0.14,621 -0.014,622 0.146,623 -0.018,624 -0.053,625 -0.012,626 -0.053,627 -0.059,628 -0.034,629 -0.044,630 -0.107,631 -0.1,632 -0.127,633 -0.017,634 -0.129,635 -0.097,636 -0.026,637 -0.038,638 -0.027,639 -0.067,640 -0.018,641 0.216,642 -0.04,643 0.078,644 -0.044,645 0.262,646 -0.022,647 -0.18,648 0.133,649 -0.112,650 0.134,651 -0.237,652 0.044,653 0.028,654 -0.088,655 0.027,656 -0.073,657 0.041,658 -0.033,659 2.246,660 7.046,661 0.727,662 56.781,663 1.01,664 1.114,665 1.934,666 3.74,667 0.679,668 3.912,669 4.277,670 4.635,671 4.963,672 5.263,673 5.434,674 5.628,675 5.875,676 6.082,677 6.227,678 7.851,679 0.657,680 592.69,681 3.912,682 5.485,683 6.375,684 7.287,685 8.195,686 9.115,687 10.031,688 10.956,689 11.877,690 12.807,691 2.6,698 1,700 1,709 11,714 7,716 18,721 1,735 4,738 76,739 24,740 3,741 49,743 81,744 35,745 18,746 7,747 11,748 9,752 6,753 8,759 1,763 2,764 2,766 2,768 27,769 8,770 2,772 6,778 2,780 1,781 1,782 8,789 32,790 9,791 2,792 9,797 2,803 0.667,804 7,823 6,827 2,834 1,838 1,845 2,846 3,853 1,855 4,859 4,862 44,868 1,869 2,871 1,872 4,874 2,886 9.2,888 1,889 2,891 4,893 22.667,894 15.067,895 9.778,896 4.337,898 3.948,899 1.432,900 0.974,901 8.345,902 13.092,903 4.174,904 4.783,905 5.383,906 5.937,907 6.472,908 6.73,909 7.082,910 7.5,911 7.929,912 8.296,913 0.889,914 84,915 16.443,917 7.275,918 7.822,919 30.81,921 25.684,924 2.322,925 102.167,929 353.133,930 217.326,931 34.796,933 136.973,936 217.326,937 490.106,938 34.796,939 41.474,940 34.614,941 104.239,942 108.325,943 100.443,944 11.771,945 341.362,947 353.133,948 252.123,949 136.973,952 294.278,953 195.828,956 48.691,957 200.675,958 2.757,960 353.133,961 171.769,962 217.326,965 353.133,966 60.079,967 157.247,968 18.011,969 153.758,970 353.133,971 171.769,972 217.326,973 0.584,974 0.369,975 0.211,976 0.116,977 35,978 17,979 0.086,980 7,981 2,982 1.125,983 4.893,984 502.863,985 0.125,986 32,987 240.215,993 29.734,994 12.349,995 5.457,997 171.769,998 19.7,1003 3.905,1005 60.694,1006 742.228,1007 64,1013 28.001,1015 1.392,1016 4.859,1017 1.292,1020 76.749,1021 84.69,1022 0.239,1023 0.616,1024 0.782,1025 0.876,1026 0.913,1027 0.939,1028 5.449,1029 2.08,1030 6.382,1031 7.828,1032 4.963,1033 5.472,1034 2.747,1035 7.268,1036 4.905,1037 6.674,1038 1.82,1039 7.988,1040 6.182,1041 4.635,1042 5.316,1043 1.06,1044 8.314,1045 4.573,1046 8.007,1047 1.745,1048 9.695,1049 5.31,1050 6.627,1051 7.66,1052 2.698,1053 11.47,1054 6.534,1055 9.375,1056 1.614,1057 11.461,1058 4.96,1059 7.124,1060 8.295,1061 1.679,1062 13.343,1063 7.03,1064 10.773,1065 1.563,1066 13.265,1067 4.454,1068 8.59,1069 10.118,1070 2.808,1071 16.037,1072 8.476,1073 12.194,1074 1.508,1075 15.095,1076 4.12,1077 9.459,1078 11.121,1079 2.248,1080 18.264,1081 9.344,1082 13.631,1083 1.4,1084 16.944,1085 3.9,1086 10.73,1087 12.723,1088 3.064,1089 20.815,1090 10.602,1091 3.413,1092 1.381,1093 18.808,1094 3.456,1095 11.769,1096 13.91,1097 2.825,1098 23.202,1099 11.639,1100 3.066,1101 12.722,1102 20.684,1103 3.017,1104 12.972,1105 15.408,1106 3.441,1107 25.718,1108 12.834,1109 2.979,1110 10.423,1111 22.57,1112 4.187,1113 14.089,1114 16.691,1115 3.415,1116 28.18,1117 13.949,1118 2.871,1119 9.814,1120 24.465,1121 3.989,1122 15.272,1123 18.138,1124 3.908,1125 30.694,1126 15.128,1127 2.729,1128 9.316,1129 26.367,1130 3.929,1131 16.427,1132 19.472,1133 4.015,1134 33.193,1135 16.281,1136 2.486,1137 8.95,1138 28.275,1139 3.811,1140 17.61,1141 20.895,1142 4.433,1143 35.714,1144 17.461,1145 2.354,1146 8.362,1147 30.19,1148 3.5,1149 18.786,1150 22.259,1151 4.622,1152 38.232,1153 18.634,1154 28451,1155 47439,1156 32.539,1157 51.614,1158 74.579,1159 77.077,1160 78.41,1161 73.399,1162 73.541,1163 94.459,1164 16.117,1165 221.843,1166 71.096,1167 5.676,1168 5.93,1169 6.9,1170 5.492,1171 5.413,1172 7.187,1173 2.418,1174 20.422,1175 5.391,1176 23.932,1177 1.522,1178 1.573,1179 1.6,1180 1.498,1181 1.501,1182 1.928,1183 0.329,1184 4.527,1185 1.451,1186 4.094,1187 4.114,1188 4.053,1189 4.012,1190 7.431,1191 4.018,1192 3.952,1193 3.965,1194 3.906,1195 3.876,1196 7.425,1197 3.88,1198 3.912,1199 3.936,1200 3.862,1201 3.825,1202 6.466,1203 3.829,1204 3.855,1205 3.875,1206 3.809,1207 3.775,1208 4.943,1209 3.779,1210 3.595,1211 3.624,1212 3.52,1213 3.48,1214 4.884,1215 3.483,1216 3.464,1217 3.492,1218 3.398,1219 3.341,1220 4.86,1221 3.351,1222 3.265,1223 3.318,1224 3.163,1225 3.04,1226 4.71,1227 3.058,1228 3.249,1229 3.314,1230 3.11,1231 2.997,1232 4.496,1233 3.019,1234 0.096,1235 0.08,1236 0.147,1237 0.09,1238 0.07,1239 4.709,1240 0.085,1241 3.93,1242 0.028,1243 7.206,1244 0.26,1245 4.406,1246 0.069,1247 3.413,1248 4.187,1249 1.36,1250 12.722,1251 3.391,1252 2.021,1253 2.003,1254 2.111,1255 2.119,1256 1.426,1257 2.116,1258 1.93,1259 1.915,1260 2.021,1261 2.027,1262 1.194,1263 2.024,1264 1.885,1265 1.862,1266 1.99,1267 1.999,1268 1.073,1269 1.995,1270 1.827,1271 1.808,1272 1.924,1273 1.932,1274 1.052,1275 1.929,1276 1.57,1277 1.54,1278 1.748,1279 1.725,1280 0.936,1281 1.731,1282 1.429,1283 1.4,1284 1.61,1285 1.585,1286 0.733,1287 1.59,1288 1.203,1289 1.148,1290 1.576,1291 1.524,1292 0.575,1293 1.54,1294 1.198,1295 1.126,1296 1.573,1297 1.514,1298 0.573,1299 1.533,1300 4.595,1302 5.948,1304 7.517,1306 9.188,1308 10.912,1310 6.424,1314 11.693,1315 0.753,1317 2.933,1318 22.251,1320 -1.035,1326 49.948,1327 113.666,1328 292.446,1329 371.24,1330 416.049,1331 433.558,1332 445.823,1333 111.637,1334 9.144,1335 119.59,1336 119.59,1337 36,1338 13.311,1339 4.644,1340 4,1341 65.516,1342 194,1343 254,1344 0.156,1345 299.793,1346 551.13,1347 723.256,1348 127668,1350 30.957,1351 0.704,1352 0.565,1353 30.957,1354 24.841,1355 21.337,1356 0.435,1357 0.29,1358 13.986,1359 20.428,1360 13.555,1361 11.234,1362 21.337,1363 14.216,1364 19.058,1365 0.268,1366 0.151,1367 19.058,1368 10.741,1369 17.204,1370 0.169,1371 0.081,1372 17.204,1373 8.268,1374 15.267,1375 0.108,1376 0.043,1377 15.267,1378 6.159,1379 12.657,1380 0.066,1381 0.023,1382 12.657,1383 4.453,1384 0.239,1385 134.826,1386 0.175,1387 37.864,1388 0.447,1389 240,1390 744.541,1391 262.708,1392 702.84,1393 960.87,1394 660,1395 293,1396 702.373,1397 316.764,1398 712.325,1399 1048.12,1400 667,1401 4.463}
{0 CHEMBL1323206,1 1.681,2 11.667,3 3.389,4 11.484,5 98.316,6 7.852,7 0.462,8 3.88,9 4.003,10 3.49,11 3.42,12 4.959,13 3.391,14 4.416,15 4.588,16 3.833,17 3.776,18 5.481,19 3.728,20 4.662,21 4.879,22 3.824,23 3.922,24 5.696,25 3.808,26 4.671,27 4.935,28 3.745,29 3.869,30 5.617,31 3.709,32 4.55,33 4.802,34 3.79,35 3.804,36 5.608,37 3.643,38 4.377,39 4.596,40 3.519,41 3.702,42 5.363,43 3.546,44 4.353,45 4.606,46 3.384,47 3.548,48 5.297,49 3.416,50 4.181,51 4.414,52 3.287,53 3.367,54 5.262,55 3.262,56 0.033,57 0.707,58 8.665,59 3.988,60 5.705,61 5.051,62 0.223,63 1.138,64 17.922,65 6.347,66 20.16,67 8.279,68 0.395,69 1.419,70 25.945,71 9.159,72 38.931,73 11.568,74 0.272,75 1.374,76 27.436,77 9.96,78 39.876,79 12.789,80 0.36,81 1.251,82 28.904,83 9.529,84 51.228,85 11.457,86 0.189,87 1.029,88 21.883,89 8.054,90 27.061,91 9.775,92 0.166,93 0.932,94 19.522,95 7.284,96 24.902,97 9.516,98 0.253,99 0.88,100 17.638,101 5.642,102 31.168,103 6.912,104 5,105 34,106 0.293,107 0.591,108 0.72,109 0.807,110 0.834,111 0.834,112 3.227,113 0.961,114 -3.94,115 -3.9,116 -3.69,120 40.9,126 5,143 8,144 1,145 3,160 1,174 7,177 1,181 1,182 3,185 6,188 1,189 2,194 4,197 3,201 2,206 5,214 1,219 4,227 2,230 1,232 2,235 2,240 2,247 6,255 1,260 7,267 1,271 4,274 836,275 16.361,276 16.361,277 16.361,278 16.361,279 16.361,280 14.679,281 22.618,282 10.025,283 16.884,284 12.877,285 12.877,286 12.877,287 12.877,288 12.877,289 10.429,290 30.769,291 4.837,292 13.749,293 3.778,294 2.073,295 1.335,296 0.835,297 0.682,298 0.682,299 3.913,305 1,306 1,307 1,308 600,309 2.915,313 266.314,320 2.028,321 20.94,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52,333 280,334 4.192,335 3.8,336 6.054,337 3.786,338 2.845,339 3.79,340 1.762,341 8.709,342 2.682,343 4.064,344 3.105,345 5.631,346 3.694,347 2.726,348 3.65,349 0.916,350 7.821,351 2.638,352 3.705,353 3.03,354 5.429,355 3.442,356 2.515,357 2.947,358 0.86,359 7.23,360 2.331,361 3.455,362 2.645,363 5.028,364 3.134,365 2.211,366 2.591,367 0.247,368 6.067,369 2.036,370 3.225,371 2.341,372 4.743,373 2.825,374 1.898,375 2.343,376 0.172,377 5.241,378 1.734,379 2.874,380 2.016,381 4.081,382 2.388,383 1.424,384 2.038,386 3.563,387 1.367,388 2.804,389 1.893,390 3.598,391 2.338,392 1.414,393 1.913,395 3.036,396 1.301,397 2.5,398 1.503,399 3.588,400 2.265,401 1.368,402 1.5,404 2.957,405 1.202,406 2.441,407 1.256,408 3.414,409 2,410 1,411 1.44,413 2.275,414 1,415 2,416 1,417 3.247,418 1.952,419 1,420 1,422 2.136,423 0.946,424 1.493,425 0.833,426 3,427 1.242,428 0.299,429 0.341,431 0.747,432 0.28,433 1.389,434 0.598,435 2.753,436 0.998,437 0.086,438 0.103,440 0.2,441 0.077,442 0.926,443 0.327,444 2.282,445 0.628,446 -0.282,447 -0.322,449 -0.703,450 -0.253,451 0.781,452 0.019,453 2,454 0.315,455 -0.597,456 -0.737,458 -1.393,459 -0.517,460 0.541,461 -0.36,462 2,463 0.138,464 -0.791,465 -0.954,467 -1.852,468 -0.717,469 11.652,470 0.486,471 0.468,472 0.02,473 29.5,474 1.229,475 14,476 0.583,477 15.5,478 0.646,479 17.938,480 0.747,481 26.148,482 0.594,483 20.626,484 0.859,485 6.175,486 0.257,487 5.528,488 0.23,489 0.096,491 0.249,494 1,496 0.769,497 1.142,498 0.662,499 0.931,500 0.566,501 0.931,502 1.059,503 1.081,504 0.808,505 0.942,506 0.641,507 0.974,508 0.995,509 1.009,510 1.046,511 1.004,512 0.861,513 1.077,514 0.854,515 0.991,516 0.84,517 0.882,518 0.948,519 0.954,520 0.745,521 0.833,522 1.06,523 0.99,524 0.7,525 0.856,526 0.714,527 0.928,528 1.283,529 1.236,530 0.783,531 1.155,532 0.742,533 0.918,534 0.764,535 0.912,536 0.596,537 0.935,538 1.324,539 1.097,540 1.141,541 1.045,542 1.36,543 1.017,544 4.5,545 0.062,546 1.778,547 1.188,548 1.116,549 0.306,550 0.483,551 0.174,552 0.156,553 0.124,554 7344,555 20613,556 2.089,557 45.5,559 18,562 2,567 1.661,568 2,569 3.504,570 0.296,571 1,572 1,575 73.963,576 1.681,577 3.386,578 4.124,579 4.624,580 4.778,581 4.778,582 2.924,583 4.252,584 4.557,585 3.685,586 1017.09,587 7.823,588 12658,590 1,592 1,593 240.215,594 1.189,595 4.536,596 0.173,597 0.005,598 0.052,599 0.037,600 0.041,601 0.011,602 0.021,603 0.008,604 0.009,605 0.008,606 0.366,607 0.33,608 1,609 0.49,610 117.225,611 -0.049,612 -0.13,613 0.026,614 -0.045,615 -0.034,616 -0.002,617 -0.09,618 -0.118,619 -0.019,620 -0.071,621 0.011,622 -0.063,623 -0.03,624 -0.027,625 -0.133,626 -0.071,627 0.005,628 -0.131,629 -0.03,630 -0.038,631 0.105,632 0.072,633 0.008,634 0.043,635 0.069,636 0.091,637 0.153,638 0.135,639 0.14,640 0.167,641 -0.038,642 -0.002,643 -0.184,644 -0.137,645 -0.081,646 -0.138,647 0.024,648 -0.102,649 0.102,650 0.008,651 0.08,652 0.069,653 -0.129,654 -0.018,655 -0.132,656 -0.075,657 -0.107,658 -0.069,659 1.998,660 5.601,661 0.75,662 23.903,663 1.004,664 1.13,665 2.711,666 7.351,667 0.68,668 3.296,669 3.555,670 3.738,671 3.932,672 4.111,673 3.951,674 4.06,675 4.127,676 4.143,677 4.19,678 6.904,679 0.638,680 345.48,681 3.296,682 4.796,683 5.602,684 6.438,685 7.256,686 8.093,687 8.916,688 9.752,689 10.579,690 11.414,691 6.8,694 1,698 2,709 8,714 4,716 12,737 1,738 44,739 13,740 2,741 26,743 46,744 18,745 12,746 4,747 8,752 3,753 3,757 1,768 13,769 5,772 1,779 1,782 1,785 1,786 1,787 1,789 20,790 5,791 2,792 6,793 1,797 3,803 1,804 1,823 3,851 1,854 1,855 3,857 1,861 1,862 24,869 5,871 2,872 1,875 1,885 1,886 2.3,890 1,893 12,894 7.593,895 5.361,896 2.537,898 2.127,899 1.312,900 0.984,901 6.016,902 8.953,903 3.526,904 4.025,905 4.454,906 4.933,907 5.403,908 5.289,909 5.526,910 5.77,911 5.868,912 6.126,913 0.875,914 32,915 8.865,917 3.676,918 7.75,919 16.995,921 13.595,924 2.25,925 54,928 1,929 211.88,930 154.609,931 39.146,933 11,934 14.96,935 45.192,936 109.416,937 222.88,938 54.106,940 51.523,941 75.81,942 11,943 20.944,944 15.245,945 211.88,946 45.192,947 211.88,948 148.562,949 25.96,950 45.192,952 226.84,954 11,956 54.648,957 93.915,959 45.192,960 226.84,961 50.146,962 154.609,965 211.88,966 33.606,967 78.934,968 36.022,969 71.152,970 211.88,971 65.106,972 154.609,973 0.567,974 0.316,975 0.168,976 0.092,977 15,978 6,979 0.087,980 4,982 1,983 3.808,984 179.508,986 18,987 102.039,990 1,993 17.145,994 8.422,995 5.155,997 65.106,998 14.544,1003 2.145,1005 36.022,1006 431.594,1007 33,1014 5.23,1017 0.362,1020 44.174,1021 49.701,1022 0.308,1023 0.62,1024 0.755,1025 0.847,1026 0.875,1027 0.875,1028 4.727,1029 1.368,1030 5.541,1031 3.036,1032 4.234,1033 4.71,1034 2.243,1035 6.24,1036 4.113,1037 5.876,1038 1,1039 7.026,1040 2.957,1041 3.611,1042 4.29,1043 1.404,1044 6.862,1045 3.394,1046 7.135,1047 1,1048 8.603,1049 2.275,1050 5.72,1051 6.741,1052 2.792,1053 9.909,1054 5.494,1055 8.421,1056 0.299,1057 10.235,1058 2.136,1059 5.889,1060 7.101,1061 2.615,1062 11.336,1063 5.571,1064 9.738,1065 0.086,1066 11.901,1067 0.747,1068 7.446,1069 9.047,1070 3.661,1071 13.853,1072 7.121,1073 11.073,1074 -0.282,1075 13.592,1076 0.2,1077 8.01,1078 9.795,1079 3.817,1080 15.638,1081 7.602,1082 12.425,1083 -0.597,1084 15.299,1085 -0.703,1086 9.302,1087 11.495,1088 4.672,1089 17.94,1090 8.88,1091 2.845,1092 -0.791,1093 17.02,1094 -1.393,1095 10.077,1096 12.46,1097 5.004,1098 19.9,1099 9.58,1100 2.726,1101 8.709,1102 18.75,1103 -1.852,1104 11.235,1105 14.021,1106 5.744,1107 22.108,1108 10.716,1109 2.515,1110 7.821,1111 20.488,1112 3.79,1113 12.124,1114 15.116,1115 6.173,1116 24.157,1117 11.537,1118 2.211,1119 7.23,1120 22.232,1121 3.65,1122 13.213,1123 16.59,1124 6.844,1125 26.326,1126 12.597,1127 1.898,1128 6.067,1129 23.982,1130 2.947,1131 14.165,1132 17.766,1133 7.329,1134 28.421,1135 13.486,1136 1.424,1137 5.241,1138 25.737,1139 2.591,1140 15.221,1141 19.185,1142 7.958,1143 30.575,1144 14.506,1145 1.414,1146 3.563,1147 27.496,1148 2.343,1149 16.207,1150 20.413,1151 8.476,1152 32.695,1153 15.433,1154 7033,1155 11923,1156 17.682,1157 29.909,1158 37.825,1159 39.257,1160 38.361,1161 37.697,1162 37.573,1163 47.311,1164 7.916,1165 99.963,1166 35.19,1167 5.192,1168 5.8,1169 5.856,1170 4.89,1171 4.845,1172 6.79,1173 3.124,1174 14.831,1175 4.682,1176 8.737,1177 1.455,1178 1.51,1179 1.475,1180 1.45,1181 1.445,1182 1.82,1183 0.304,1184 3.845,1185 1.353,1186 3.973,1187 4.012,1188 4.001,1189 3.888,1190 8.201,1191 3.885,1192 3.894,1193 3.927,1194 3.842,1195 3.814,1196 4.92,1197 3.814,1198 3.744,1199 3.798,1200 3.743,1201 3.537,1202 4.7,1203 3.549,1204 3.403,1205 3.451,1206 3.606,1207 3.341,1208 4.623,1209 3.267,1210 3.123,1211 3.206,1212 3.034,1213 2.958,1214 4.578,1215 2.944,1216 3.111,1217 3.188,1218 2.866,1219 2.941,1220 3.96,1221 2.91,1222 2.903,1223 2.959,1224 2.853,1225 2.735,1226 3.767,1227 2.736,1228 2.854,1229 2.925,1230 2.761,1231 2.733,1232 3.674,1233 2.715,1234 0.161,1235 0.146,1236 0.233,1237 0.146,1238 0.109,1239 4.192,1240 0.146,1241 3.8,1242 0.068,1243 6.054,1244 0.335,1245 3.786,1246 0.103,1247 2.845,1248 3.79,1249 1.762,1250 8.709,1251 2.682,1252 1.928,1253 1.897,1254 2.046,1255 2.046,1256 1.268,1257 2.049,1258 1.874,1259 1.846,1260 1.98,1261 1.985,1262 1.094,1263 1.985,1264 1.685,1265 1.627,1266 1.896,1267 1.904,1268 1.045,1269 1.906,1270 1.32,1271 1.282,1272 1.513,1273 1.517,1274 0.825,1275 1.523,1276 1.153,1277 1.064,1278 1.449,1279 1.376,1280 0.649,1281 1.429,1282 1.084,1283 1.025,1284 1.285,1285 1.32,1286 0.345,1287 1.333,1288 0.886,1289 0.821,1290 1.181,1291 1.069,1292 0.218,1293 1.107,1294 0.862,1295 0.805,1296 1.122,1297 1.062,1298 0.188,1299 1.083,1300 3.97,1302 5.242,1304 6.703,1306 8.244,1308 9.821,1312 13.601,1315 4.458,1317 5.931,1318 5.358,1321 2.371,1326 28.091,1327 73.963,1328 148.996,1329 181.46,1330 203.46,1331 210.215,1332 210.215,1333 37.269,1334 6.827,1335 36.53,1336 68.62,1337 18,1338 11.985,1339 3.807,1340 3,1341 39.611,1342 100,1343 88,1344 0.191,1345 177.469,1346 308.97,1347 424.784,1348 8574,1349 2.3,1350 16.778,1351 0.699,1352 0.588,1353 16.408,1354 14.113,1355 11.704,1356 0.45,1357 0.32,1358 7.827,1359 10.966,1360 7.655,1361 6.308,1362 11.582,1363 8.33,1364 10.225,1365 0.301,1366 0.178,1367 10.115,1368 6.053,1369 8.088,1370 0.197,1371 0.099,1372 7.79,1373 4.048,1374 6.522,1375 0.13,1376 0.056,1377 6.588,1378 2.786,1379 5.281,1380 0.088,1381 0.031,1382 5.218,1383 1.888,1384 0.309,1385 76.403,1386 0.238,1387 24.136,1388 0.496,1389 120,1390 391.018,1391 146.878,1392 374.32,1393 493.22,1394 350,1395 135,1396 331.961,1397 156.203,1398 340.008,1399 492.09,1400 319,1401 4.165}
{0 CHEMBL1324188,1 1.484,2 9.174,3 3.502,4 12.261,5 90.476,6 7.173,7 0.231,8 3.867,9 3.995,10 3.424,11 3.416,12 4.887,13 3.388,14 4.442,15 4.63,16 3.805,17 3.83,18 5.413,19 3.78,20 4.747,21 4.984,22 3.914,23 3.978,24 5.727,25 3.906,26 4.757,27 5.009,28 3.788,29 3.908,30 5.763,31 3.822,32 4.681,33 4.946,34 3.629,35 3.813,36 5.63,37 3.709,38 4.543,39 4.803,40 3.449,41 3.704,42 5.432,43 3.584,44 4.418,45 4.675,46 3.284,47 3.558,48 5.335,49 3.44,50 4.208,51 4.437,52 3.127,53 3.413,54 5.168,55 3.298,56 0.04,57 0.671,58 9.184,59 3.884,60 5.491,61 5.359,62 0.186,63 1.12,64 17.823,65 6.531,66 14.611,67 9.424,68 0.283,69 1.401,70 25.831,71 8.596,72 33.758,73 12.762,74 0.303,75 1.352,76 26.787,77 8.311,78 42.461,79 12.473,80 0.354,81 1.221,82 25.284,83 7.916,84 40.261,85 11.791,86 0.211,87 1.07,88 21.635,89 7.183,90 30.875,91 10.647,92 0.24,93 0.92,94 19.331,95 6.173,96 31.397,97 8.993,98 0.18,99 0.751,100 15.229,101 5.25,102 25.236,103 7.368,104 5,105 37,106 0.259,107 0.572,108 0.709,109 0.8,110 0.839,111 0.839,112 3.189,113 0.953,114 -5.2,115 -5.1,116 -4.77,120 41.9,122 5,125 1,128 1,136 2,143 4,144 1,145 1,159 3,167 1,174 9,176 3,177 10,185 8,188 3,189 11,197 4,200 1,201 10,209 4,213 2,214 10,222 8,227 5,235 6,240 7,247 4,252 5,260 4,264 2,271 7,274 623,275 15.845,276 15.845,277 15.845,278 15.845,279 15.845,280 14.53,281 19.255,282 9.324,283 16.083,284 12.828,285 12.828,286 12.828,287 12.828,288 12.828,289 10.669,290 28.075,291 4.425,292 13.222,293 3.942,294 2.149,295 1.366,296 0.843,297 0.622,298 0.622,299 3.891,305 1,306 1,307 1,308 470,309 2.55,313 201.053,317 151.001,320 1.414,321 18.127,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49,333 211,334 4.536,335 3.79,336 6.784,337 4.197,338 3.229,339 4.091,340 1.11,341 11.102,342 3.13,343 4.151,344 3.296,345 6.39,346 3.884,347 2.939,348 3.502,349 0.954,350 9.68,351 2.774,352 3.775,353 2.889,354 5.979,355 3.496,356 2.526,357 2.976,358 0.779,359 8.363,360 2.444,361 3.517,362 2.657,363 5.282,364 3.094,365 2.112,366 2.748,367 0.2,368 6.338,369 2.069,370 3.333,371 2.336,372 5.201,373 3.047,374 2.079,375 2.404,377 6.202,378 2,379 2.872,380 1.687,381 4.139,382 2.486,383 1.504,384 2.014,386 3.387,387 1.474,388 2.737,389 1.517,390 3.915,391 2.397,392 1.408,393 1.729,395 3.323,396 1.391,397 2.583,398 1.371,399 3.688,400 2.244,401 1.255,402 1.562,404 3.05,405 1.24,406 2.423,407 1.299,408 3.456,409 2,410 1,411 1.183,413 2.136,414 1,415 2,416 1,417 3.359,418 1.811,419 0.81,420 1,422 1.944,423 0.803,424 1.937,425 0.966,426 3.247,427 1.712,428 0.729,429 0.823,431 1.818,432 0.714,433 1.565,434 0.638,435 2.914,436 1.03,437 0.042,438 0.059,440 0.108,441 0.041,442 0.997,443 -0.18,444 2.529,445 0.581,446 -0.385,447 -0.503,449 -0.971,450 -0.37,451 0.646,452 -0.327,453 2.415,454 0.227,455 -0.747,456 -0.754,458 -1.61,459 -0.724,460 0.463,461 -0.61,462 2.077,463 0.183,464 -0.832,465 -0.962,467 -2.023,468 -0.799,469 10.933,470 0.475,471 0.521,472 0.023,473 27.75,474 1.207,475 12.5,476 0.543,477 15.25,478 0.663,479 19.593,480 0.852,481 24.467,482 0.569,483 18.651,484 0.811,485 5.08,486 0.221,487 6.157,488 0.268,489 0.076,491 0.348,496 0.627,497 1.352,498 0.779,499 1.126,500 0.52,501 0.996,502 0.685,503 1.211,504 0.85,505 1.049,506 0.512,507 0.979,508 0.85,509 1.086,510 0.84,511 0.957,512 0.637,513 0.9,514 1.181,515 1.063,516 0.975,517 0.955,518 0.993,519 0.932,520 1.189,521 0.857,522 0.98,523 0.833,524 1.157,525 0.868,526 1.101,527 1,528 1.04,529 0.981,530 1.017,531 0.995,532 1.488,533 0.884,534 1.149,535 0.914,536 1.606,537 0.977,538 1.567,539 0.955,540 1.251,541 1.058,542 1.881,543 1.115,544 3.5,545 0.021,546 2.889,547 1.813,548 1.542,549 0.625,550 0.482,551 0.299,552 0.16,553 0.077,554 5692,555 11981,556 2.168,557 46.5,558 6,559 10,564 4,567 1.658,568 2.06,569 3.194,570 -0.772,572 1,574 1,575 63.832,576 1.484,577 3.277,578 4.06,579 4.583,580 4.804,581 4.804,582 2.682,583 4.263,584 4.496,585 3.288,586 831.934,587 7.746,588 9093.52,590 1,592 1,593 233.329,594 1.302,595 4.469,596 0.135,597 0.003,598 0.078,599 0.045,600 0.045,601 0.022,602 0.02,603 0.015,604 0.009,605 0.006,606 0.378,607 0.5,608 1,609 0.503,610 105.959,611 0.102,612 -0.158,613 0.086,614 -0.07,615 0.02,616 -0.012,617 0.186,618 -0.09,619 0.074,620 -0.056,621 0.099,622 -0.018,623 0.142,624 -0.055,625 0.136,627 0.191,628 0.057,629 -0.023,630 -0.061,631 0.027,632 -0.022,633 0.105,634 0.01,635 -0.024,636 0.117,637 0.032,638 0.103,639 -0.018,640 0.081,641 -0.119,642 -0.032,643 -0.054,644 -0.02,645 -0.08,646 -0.025,647 -0.243,648 0.079,649 -0.14,650 0.034,651 -0.225,652 -0.026,653 -0.276,654 0.018,655 -0.262,656 -0.078,657 -0.275,658 -0.154,659 1.774,660 5.681,661 0.87,662 17.134,663 0.995,664 1.128,665 3.975,666 15.799,667 0.664,668 3.296,669 3.638,670 3.97,671 4.248,672 4.533,673 4.605,674 4.771,675 4.913,676 5.05,677 5.03,678 5.341,679 0.628,680 308.42,681 3.296,682 4.844,683 5.72,684 6.611,685 7.503,686 8.4,687 9.298,688 10.2,689 11.101,690 12.006,691 9.3,694 1,698 1,700 2,709 4,714 2,716 6,738 43,739 10,740 1,741 26,743 46,744 18,745 6,746 2,747 4,748 5,752 4,753 7,763 6,766 6,768 11,769 7,772 4,778 1,780 2,781 2,782 3,785 1,786 1,789 20,790 5,792 5,797 4,799 2,803 0.5,804 1,823 4,827 2,845 2,851 1,855 2,859 1,862 23,869 5,874 1,875 2,886 2.3,889 1,893 11.167,894 8.05,895 5,896 2.884,898 2.488,899 1.334,900 1,901 3.682,902 9.941,903 3.526,904 4.052,905 4.632,906 5.17,907 5.719,908 6.017,909 6.435,910 6.825,911 7.228,912 7.409,913 1,914 40,915 8.549,917 3.716,918 7.594,919 16.718,921 14.27,924 2.094,925 48.167,928 1,929 235.422,930 93.229,931 39.575,933 25.145,936 93.229,937 260.567,938 39.575,939 8.396,940 15.674,941 56.857,942 34.505,943 42.515,945 235.422,947 235.422,948 132.804,949 25.145,952 188.338,953 72.229,956 52.247,957 61.604,958 18.952,960 235.422,961 64.72,962 93.229,965 235.422,966 27.975,967 71.38,969 58.593,970 235.422,971 64.72,972 93.229,973 0.585,974 0.357,975 0.197,976 0.109,977 20,978 8,979 0.043,980 2,981 2,982 1.2,983 3.524,984 194.794,985 0.2,986 20,987 100.042,993 14.498,994 5.841,995 2.564,997 64.72,998 7.412,1003 1.322,1006 393.371,1007 33,1013 12.681,1015 3.848,1016 9.101,1017 1.322,1020 42.803,1021 48.524,1022 0.274,1023 0.604,1024 0.748,1025 0.845,1026 0.885,1027 0.885,1028 4.792,1029 1.255,1030 5.707,1031 3.323,1032 4.317,1033 4.736,1034 1.85,1035 6.553,1036 4.256,1037 5.974,1038 1,1039 7.287,1040 3.05,1041 3.892,1042 4.407,1043 0.325,1044 7.509,1045 3.767,1046 7.275,1047 0.81,1048 8.972,1049 2.136,1050 5.938,1051 6.809,1052 1.785,1053 10.656,1054 5.797,1055 8.609,1056 0.729,1057 10.719,1058 1.944,1059 6.365,1060 7.326,1061 0.43,1062 12.433,1063 6.16,1064 9.98,1065 0.042,1066 12.504,1067 1.818,1068 7.864,1069 9.186,1070 1.814,1071 15.092,1072 7.642,1073 11.375,1074 -0.385,1075 14.316,1076 0.108,1077 8.682,1078 10.118,1079 0.458,1080 17.201,1081 8.405,1082 12.79,1083 -0.747,1084 16.145,1085 -0.971,1086 9.963,1087 11.737,1088 1.899,1089 19.69,1090 9.663,1091 3.229,1092 -0.832,1093 17.987,1094 -1.61,1095 10.963,1096 12.887,1097 0.456,1098 21.948,1099 10.617,1100 2.939,1101 11.102,1102 19.839,1103 -2.023,1104 12.158,1105 14.392,1106 2.02,1107 24.373,1108 11.786,1109 2.526,1110 9.68,1111 21.699,1112 4.091,1113 13.241,1114 15.658,1115 0.44,1116 26.7,1117 12.83,1118 2.112,1119 8.363,1120 23.565,1121 3.502,1122 14.406,1123 17.108,1124 2.165,1125 29.102,1126 13.966,1127 2.079,1128 6.338,1129 25.435,1130 2.976,1131 15.527,1132 18.437,1133 0.418,1134 31.462,1135 15.052,1136 1.504,1137 6.202,1138 27.31,1139 2.748,1140 16.682,1141 19.862,1142 2.326,1143 33.858,1144 16.179,1145 1.408,1146 3.387,1147 29.189,1148 2.404,1149 17.821,1150 21.224,1151 0.393,1152 36.236,1153 17.286,1154 5328,1155 7938,1156 17.8,1157 28.569,1158 40.393,1159 40.799,1160 40.399,1161 39.348,1162 39.266,1163 48.183,1164 6.088,1165 114.903,1166 38.162,1167 5.536,1168 5.79,1169 6.586,1170 5.27,1171 5.229,1172 7.091,1173 2.22,1174 18.639,1175 5.13,1176 7.947,1177 1.554,1178 1.569,1179 1.554,1180 1.513,1181 1.51,1182 1.853,1183 0.234,1184 4.419,1185 1.468,1186 4.027,1187 4.067,1188 3.994,1189 3.912,1190 7.428,1191 3.924,1192 3.88,1193 3.934,1194 3.77,1195 3.763,1196 4.925,1197 3.755,1198 3.692,1199 3.742,1200 3.607,1201 3.568,1202 4.662,1203 3.574,1204 3.359,1205 3.44,1206 3.236,1207 3.149,1208 4.333,1209 3.159,1210 3.194,1211 3.217,1212 3.124,1213 3.011,1214 4.172,1215 3.031,1216 3.111,1217 3.206,1218 2.872,1219 2.941,1220 3.869,1221 2.91,1222 2.978,1223 3.066,1224 2.866,1225 2.813,1226 3.822,1227 2.817,1228 2.943,1229 3.027,1230 2.679,1231 2.748,1232 3.612,1233 2.717,1234 0.174,1235 0.146,1236 0.261,1237 0.161,1238 0.124,1239 4.536,1240 0.157,1241 3.79,1242 0.043,1243 6.784,1244 0.427,1245 4.197,1246 0.12,1247 3.229,1248 4.091,1249 1.11,1250 11.102,1251 3.13,1252 1.953,1253 1.925,1254 2.099,1255 2.094,1256 1.484,1257 2.083,1258 1.878,1259 1.823,1260 2.025,1261 2.021,1262 1.11,1263 2.035,1264 1.664,1265 1.618,1266 1.8,1267 1.817,1268 0.926,1269 1.819,1270 1.327,1271 1.245,1272 1.613,1273 1.572,1274 0.825,1275 1.589,1276 1.153,1277 1.088,1278 1.513,1279 1.376,1280 0.76,1281 1.429,1282 1.115,1283 1.064,1284 1.396,1285 1.328,1286 0.586,1287 1.306,1288 1.003,1289 0.906,1290 1.249,1291 1.248,1292 0.288,1293 1.303,1294 0.928,1295 0.864,1296 1.151,1297 1.126,1298 0.196,1299 1.129,1300 3.97,1302 5.303,1304 6.86,1306 8.514,1308 10.22,1310 2.073,1315 6.26,1320 0.512,1321 3.636,1326 27.015,1327 63.832,1328 140.907,1329 174.6,1330 197.065,1331 206.574,1332 206.574,1333 32.588,1334 7.453,1335 50.5,1336 50.5,1337 24,1338 12.525,1339 3.459,1340 3,1341 31.833,1342 75,1343 71,1344 0.216,1345 164.541,1346 293.93,1347 393.239,1348 16752,1350 15.811,1351 0.687,1352 0.577,1353 15.811,1354 13.274,1355 11.237,1356 0.432,1357 0.318,1358 8.16,1359 10.865,1360 7.985,1361 6.626,1362 11.237,1363 8.256,1364 10.057,1365 0.272,1366 0.17,1367 10.057,1368 6.298,1369 9.15,1370 0.176,1371 0.093,1372 9.15,1373 4.847,1374 7.689,1375 0.111,1376 0.05,1377 7.689,1378 3.474,1379 6.492,1380 0.071,1381 0.027,1382 6.492,1383 2.503,1384 0.331,1385 69.976,1386 0.237,1387 22.254,1388 0.617,1389 126,1390 326.316,1391 137.595,1392 318.984,1393 450.14,1394 300,1395 152,1396 350.141,1397 165.538,1398 352.231,1399 522.85,1400 333,1401 6.796}
{0 CHEMBL1324250,1 1.675,2 10.304,3 2.732,4 7.465,5 87.353,6 10.168,7 0.48,8 3.732,9 3.809,10 3.556,11 3.332,12 4.937,13 3.323,14 4.242,15 4.353,16 3.984,17 3.717,18 5.461,19 3.691,20 4.51,21 4.658,22 4.05,23 3.795,24 5.79,25 3.751,26 4.496,27 4.671,28 3.799,29 3.629,30 5.851,31 3.588,32 4.314,33 4.462,34 3.744,35 3.464,36 5.817,37 3.45,38 4.312,39 4.491,40 3.533,41 3.425,42 5.626,43 3.353,44 4.165,45 4.374,46 3.464,47 3.356,48 5.284,49 3.264,50 4.055,51 4.257,52 3.644,53 3.275,54 5.272,55 3.206,56 0.102,57 0.465,58 3.677,59 3.35,60 14.423,61 3.528,62 0.308,63 0.771,64 8.705,65 5.652,66 24.027,67 5.968,68 0.56,69 0.941,70 24.552,71 8.243,72 57.556,73 8.53,74 0.691,75 0.929,76 26.479,77 7.756,78 91.944,79 7.798,80 0.575,81 0.759,82 14.514,83 6.195,84 93.791,85 6.381,86 0.605,87 0.754,88 15.144,89 6.509,90 80.63,91 7.019,92 0.334,93 0.676,94 23.142,95 6.256,96 39.337,97 7.079,98 0.348,99 0.593,100 20.732,101 5.59,102 32.162,103 6.112,104 17,105 35,106 0.301,107 0.619,108 0.734,109 0.811,110 0.811,111 0.811,112 3.188,113 0.944,114 -4.14,115 -4.09,116 -3.87,118 1,120 45.9,126 2,128 1,143 8,144 2,145 2,159 2,174 8,176 2,177 6,185 10,189 8,192 2,197 7,200 2,201 6,214 3,217 2,219 4,226 2,227 4,232 4,240 4,245 2,252 6,257 1,260 4,264 5,271 8,274 706,275 15.345,276 15.345,277 15.345,278 15.345,279 15.345,280 13.683,281 14.204,282 9.002,283 15.726,284 12.295,285 12.295,286 12.295,287 12.295,288 12.295,289 9.733,290 13.713,291 4.274,292 12.976,293 3.535,294 1.773,295 1.135,296 0.703,297 0.703,298 0.703,299 3.866,305 1,306 1,307 1,308 510,309 3.082,312 50.707,313 145.518,316 98.767,320 1.509,321 33.999,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 50.25,333 237,334 4.588,335 3.955,336 6.968,337 4.295,338 3.306,339 4.146,340 1.349,341 11.709,342 3.265,343 4.014,344 3.256,345 5.729,346 3.562,347 2.634,348 3.615,349 0.86,350 7.532,351 2.426,352 3.6,353 3.003,354 5.491,355 3.36,356 2.416,357 2.839,358 0.8,359 7.161,360 2.274,361 3.441,362 2.785,363 5.422,364 3.066,365 2.125,366 2.712,368 6.426,369 2.093,370 3.435,371 2.54,372 4.976,373 3.029,374 2.026,375 2.65,377 5.834,378 1.938,379 3.189,380 2.357,381 4.839,382 2.877,383 1.962,384 2.26,386 5.47,387 1.647,388 2.761,389 1.698,390 3.673,391 2.343,392 1.357,393 1.848,395 2.997,396 1.334,397 2.5,398 1.35,399 3.618,400 2,401 1,402 1.5,404 2.275,405 1,406 2.48,407 1.261,408 3.414,409 1.942,410 0.914,411 1.387,413 2.21,414 0.934,415 1.949,416 1.234,417 3.325,418 1.616,419 0.716,420 0.803,422 1.683,423 0.616,424 1.64,425 1,426 2.918,427 1.242,428 0.262,429 0.333,431 0.628,432 0.245,433 1.041,434 0.441,435 2.375,436 0.612,437 -0.209,438 -0.247,440 -0.447,441 -0.126,442 0.926,443 -0.03,444 2.343,445 0.463,446 -0.585,447 -0.833,449 -1.379,450 -0.606,451 0.61,452 -0.102,453 2,454 0.165,455 -0.793,456 -0.903,458 -2.024,459 -0.687,460 0.5,461 -0.434,462 2,463 0.124,464 -0.891,465 -1.079,467 -2.13,468 -0.756,469 11.567,470 0.503,471 0.613,472 0.027,473 30,474 1.304,475 15.5,476 0.674,477 14.5,478 0.63,479 17.482,480 0.76,481 23.833,482 0.644,483 20.855,484 0.907,485 5.948,486 0.259,487 5.111,488 0.222,489 0.202,491 0.337,496 0.752,497 1.152,498 0.48,499 0.806,500 0.67,501 0.804,502 0.843,503 1.057,504 0.583,505 0.818,506 0.698,507 0.883,508 1.09,509 1.07,510 0.923,511 0.997,512 1.005,513 0.992,514 1.372,515 0.93,516 0.818,517 0.887,518 1.297,519 0.961,520 1.123,521 1.139,522 0.394,523 0.981,524 1.321,525 1.07,526 1.16,527 1.071,528 0.436,529 0.855,530 1.389,531 1.075,532 0.961,533 1.013,534 0.974,535 1.005,536 0.822,537 0.994,538 0.968,539 0.837,540 0.947,541 0.908,542 0.756,543 0.824,544 4.5,545 0.086,546 2.889,547 2.236,548 1.204,549 0.733,550 0.285,551 0.319,552 0.213,553 0.136,554 5910,555 20648,556 2.041,557 37.8,559 13,562 1,567 1.653,568 1.89,569 3.304,570 -0.284,571 1,572 1,575 61.96,576 1.675,577 3.436,578 4.074,579 4.507,580 4.507,581 4.507,582 2.707,583 3.567,584 4.497,585 3.478,586 879.98,587 7.72,588 10182.6,589 1,590 1,591 1,592 1,593 192.75,594 1.478,595 4.443,596 0.18,597 0.006,598 0.083,599 0.064,600 0.043,601 0.029,602 0.014,603 0.017,604 0.011,605 0.008,606 0.455,607 0.33,608 1,609 0.636,610 108.649,611 -0.074,612 -0.097,613 -0.002,614 -0.005,615 -0.09,616 0.016,617 -0.012,618 0.007,619 0.002,620 0.01,621 -0.042,622 -0.035,623 -0.03,624 -0.09,625 -0.059,626 -0.064,627 -0.046,628 -0.058,629 -0.142,630 0.076,631 -0.079,632 0.004,633 -0.035,634 -0.032,635 0.098,636 -0.173,637 0.029,638 -0.176,639 0.118,640 -0.178,641 0.014,642 -0.128,643 0.009,644 -0.025,645 -0.102,646 -0.128,647 -0.08,648 -0.045,649 -0.047,650 -0.035,651 -0.038,652 0.042,653 -0.015,654 0.123,655 0.069,656 0.091,657 0.061,658 0.214,659 2.291,660 5.202,661 0.652,662 18.318,663 1.022,664 1.11,665 2.912,666 8.48,667 0.716,668 3.258,669 3.584,670 3.85,671 4.094,672 4.29,673 4.19,674 4.22,675 4.277,676 4.127,677 4.111,678 6.07,679 0.692,680 376.22,681 3.258,682 4.796,683 5.645,684 6.524,685 7.396,686 8.28,687 9.162,688 10.051,689 10.94,690 11.833,691 2.7,698 1,709 8,714 4,716 12,735 1,737 1,738 37,739 14,740 2,741 25,742 1,743 39,744 17,745 12,746 4,747 8,748 2,752 3,753 4,766 1,768 14,769 3,772 2,778 2,782 2,785 1,786 1,789 14,790 5,791 1,792 6,793 1,797 1,800 1,803 0.667,804 4,806 1,822 1,823 2,826 1,853 1,855 2,858 1,862 23,868 1,869 2,872 1,874 1,875 1,885 1,886 10.8,887 1,889 2,891 1,893 12.167,894 6.543,895 5.056,896 2.087,898 2.223,899 1.324,900 0.943,901 4.689,902 9.081,903 3.526,904 4.078,905 4.615,906 5.113,907 5.584,908 5.513,909 5.678,910 5.808,911 5.846,912 5.702,913 0.857,914 35,915 8.568,917 3.757,918 8.047,919 15.812,921 12.93,924 2.547,925 58.583,929 153.024,930 106.587,931 49.078,933 103.973,936 152.541,937 256.997,938 3.124,940 9.822,941 118.493,942 59.699,943 25.67,945 153.024,946 45.954,947 153.024,948 109.711,949 103.973,951 45.954,952 153.024,953 61.29,954 42.683,956 9.822,957 99.889,959 45.954,960 153.024,961 107.097,962 152.541,965 153.024,966 30.777,967 78.934,968 45.954,969 103.973,970 153.024,971 107.097,972 152.541,973 0.585,974 0.344,975 0.183,976 0.104,977 17,978 8,979 0.128,980 5,981 1,982 1.133,983 3.55,984 178.431,985 0.133,986 15,987 90.042,993 16.029,994 6.728,995 3.408,997 107.097,998 13.817,1003 2.281,1005 42.683,1006 412.663,1007 33,1013 24.405,1017 -0.762,1020 37.825,1021 41.084,1022 0.321,1023 0.66,1024 0.782,1025 0.865,1026 0.865,1027 0.865,1028 4.762,1029 1,1030 5.638,1031 2.997,1032 4.263,1033 4.762,1034 1.985,1035 6.457,1036 4.172,1037 5.957,1038 0.914,1039 7.207,1040 2.275,1041 3.892,1042 4.511,1043 0.325,1044 7.394,1045 3.731,1046 7.255,1047 0.716,1048 8.879,1049 2.21,1050 5.861,1051 6.872,1052 2.163,1053 10.525,1054 5.708,1055 8.587,1056 0.262,1057 10.612,1058 1.683,1059 6.312,1060 7.42,1061 0.931,1062 12.354,1063 6.127,1064 9.954,1065 -0.209,1066 12.386,1067 0.628,1068 7.775,1069 9.282,1070 2.469,1071 15.035,1072 7.592,1073 11.346,1074 -0.585,1075 14.191,1076 -0.447,1077 8.621,1078 10.224,1079 1.621,1080 17.25,1081 8.431,1082 12.76,1083 -0.793,1084 16.02,1085 -1.379,1086 9.895,1087 11.866,1088 2.873,1089 19.786,1090 9.704,1091 3.306,1092 -0.891,1093 17.87,1094 -2.024,1095 10.931,1096 13.02,1097 2.316,1098 22.155,1099 10.74,1100 2.634,1101 11.709,1102 19.735,1103 -2.13,1104 12.14,1105 14.551,1106 3.342,1107 24.642,1108 11.946,1109 2.416,1110 7.532,1111 21.615,1112 4.146,1113 13.262,1114 15.821,1115 2.996,1116 27.069,1117 13.067,1118 2.125,1119 7.161,1120 23.505,1121 3.615,1122 14.453,1123 17.296,1124 3.853,1125 29.539,1126 14.253,1127 2.026,1128 6.426,1129 25.406,1130 2.839,1131 15.614,1132 18.63,1133 3.659,1134 31.987,1135 15.41,1136 1.962,1137 5.834,1138 27.314,1139 2.712,1140 16.802,1141 20.075,1142 4.39,1143 34.451,1144 16.591,1145 1.357,1146 5.47,1147 29.228,1148 2.65,1149 17.98,1150 21.445,1151 4.307,1152 36.907,1153 17.763,1154 5732,1155 10806,1156 16.414,1157 26.506,1158 38.152,1159 40.104,1160 39.143,1161 37.719,1162 37.437,1163 48.188,1164 6.018,1165 107.853,1166 35.544,1167 5.539,1168 5.955,1169 6.647,1170 5.363,1171 5.306,1172 7.146,1173 2.549,1174 18.847,1175 5.265,1176 11.821,1177 1.526,1178 1.604,1179 1.566,1180 1.509,1181 1.497,1182 1.928,1183 0.241,1184 4.314,1185 1.422,1186 4.023,1187 4.042,1188 6.88,1189 3.93,1190 7.447,1191 3.939,1192 3.894,1193 3.911,1194 3.988,1195 3.847,1196 7.408,1197 3.83,1198 3.627,1199 3.671,1200 3.753,1201 3.453,1202 6.449,1203 3.461,1204 3.351,1205 3.379,1206 3.504,1207 3.146,1208 4.85,1209 3.17,1210 3.014,1211 3.021,1212 3.256,1213 2.885,1214 4.686,1215 2.858,1216 2.972,1217 2.993,1218 2.973,1219 2.843,1220 4.326,1221 2.835,1222 2.854,1223 2.925,1224 2.743,1225 2.735,1226 3.868,1227 2.715,1228 2.689,1229 2.757,1230 2.687,1231 2.535,1232 3.674,1233 2.507,1234 0.184,1235 0.158,1236 0.279,1237 0.172,1238 0.132,1239 4.588,1240 0.166,1241 3.955,1242 0.054,1243 6.968,1244 0.468,1245 4.295,1246 0.131,1247 3.306,1248 4.146,1249 1.349,1250 11.709,1251 3.265,1252 1.887,1253 1.868,1254 1.986,1255 1.966,1256 1.141,1257 1.97,1258 1.87,1259 1.852,1260 1.952,1261 1.959,1262 1.085,1263 1.968,1264 1.621,1265 1.576,1266 1.812,1267 1.845,1268 1.037,1269 1.835,1270 1.249,1271 1.227,1272 1.398,1273 1.533,1274 0.56,1275 1.486,1276 1.007,1277 0.994,1278 1.181,1279 1.198,1280 0.247,1281 1.168,1282 0.893,1283 0.863,1284 1.167,1285 1.134,1286 0.218,1287 1.137,1288 0.886,1289 0.821,1290 1.133,1291 1.062,1292 0.211,1293 1.107,1294 0.755,1295 0.7,1296 0.922,1297 0.959,1298 0.065,1299 0.972,1300 3.932,1302 5.252,1303 2.398,1304 6.765,1305 4.949,1306 8.363,1307 7.195,1308 10.009,1309 3.325,1314 10.06,1315 -0.099,1318 5.461,1320 -0.958,1321 1.056,1326 25.593,1327 61.96,1328 127.14,1329 150.75,1330 166.75,1331 166.75,1332 166.75,1333 51.751,1334 6.858,1335 68.53,1336 68.53,1337 17,1338 12.361,1339 3.907,1340 3.17,1341 37.068,1342 84,1343 88,1344 0.216,1345 162.934,1346 288.1,1347 389.319,1348 8371,1349 2.7,1350 16.397,1351 0.713,1352 0.595,1353 17.397,1354 13.693,1355 11.059,1356 0.442,1357 0.315,1358 7.021,1359 10.07,1360 6.856,1361 5.616,1362 11.636,1363 7.87,1364 10.038,1365 0.287,1366 0.174,1367 10.855,1368 6.101,1369 8.454,1370 0.184,1371 0.088,1372 9.031,1373 4.056,1374 6.757,1375 0.115,1376 0.045,1377 7.091,1378 2.656,1379 5.646,1380 0.078,1381 0.026,1382 6.117,1383 1.858,1384 0.343,1385 77.901,1386 0.247,1387 22.798,1388 0.581,1389 120,1390 409.656,1391 198.694,1392 422.72,1393 551.5,1394 392,1395 141,1396 362.254,1397 182.727,1398 376.02,1399 553.31,1400 354,1401 4.192}
{0 CHEMBL1324826,1 1.472,2 7.609,3 2.368,4 5.609,5 87.184,6 8.581,7 0.808,8 3.701,9 3.824,10 3.392,11 3.305,12 4.989,13 3.314,14 4.138,15 4.273,16 3.782,17 3.69,18 5.333,19 3.687,20 4.382,21 4.562,22 3.913,23 3.783,24 5.628,25 3.785,26 4.419,27 4.615,28 3.857,29 3.778,30 5.742,31 3.761,32 4.389,33 4.589,34 3.795,35 3.758,36 5.699,37 3.735,38 4.364,39 4.568,40 3.642,41 3.71,42 5.634,43 3.655,44 4.239,45 4.474,46 3.342,47 3.499,48 5.55,49 3.41,50 3.977,51 4.233,52 2.816,53 3.179,54 5.17,55 3.037,56 0.056,57 0.582,58 5.174,59 2.39,60 13.349,61 2.669,62 0.083,63 0.898,64 8.45,65 4.165,66 9.152,67 5.045,68 0.192,69 1.145,70 12.843,71 4.97,72 21.703,73 6.062,74 0.272,75 1.174,76 14.059,77 5.227,78 41.092,79 6.414,80 0.253,81 1.123,82 13.917,83 5.074,84 43.472,85 6.159,86 0.2,87 1.059,88 13.6,89 5.226,90 33.796,91 6.398,92 0.192,93 0.894,94 13.517,95 5.043,96 43.056,97 6.512,98 0.147,99 0.65,100 11.119,101 4.155,102 39.481,103 5.477,104 11,105 38,106 0.26,107 0.569,108 0.674,109 0.795,110 0.846,111 0.876,112 3.191,113 0.81,114 -2.88,115 -2.89,116 -2.79,120 48.6,143 8,144 1,145 2,147 3,154 1,159 1,162 1,164 2,165 2,166 2,174 6,176 1,177 6,179 1,180 1,182 2,185 4,187 2,188 2,189 7,191 1,192 1,194 2,197 2,199 2,200 2,201 5,203 3,204 3,206 2,209 2,211 2,213 1,214 5,216 1,217 1,218 1,219 3,221 2,222 4,224 3,225 1,227 6,229 1,230 1,232 3,235 3,237 3,240 5,242 1,243 1,245 3,247 4,249 3,252 2,257 2,260 6,262 2,269 1,271 4,273 1,274 625,275 15.853,276 15.853,277 15.853,278 15.853,279 15.853,280 13.275,281 10.175,282 9.176,283 16.089,284 12.765,285 12.765,286 12.765,287 12.765,288 12.765,289 8.849,290 8.357,291 4.24,292 13.219,293 3.658,294 1.907,295 1.314,296 0.629,297 0.343,298 0.171,299 3.888,305 1,306 1,307 1,308 385,309 2.345,312 34.964,313 143.571,316 61.1,317 74.272,320 1.191,321 21.872,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49,333 175,334 4.841,335 4.093,336 7.156,337 4.357,338 3.41,339 4.854,340 2.035,341 12.509,342 3.23,343 4.324,344 3.42,345 6.331,346 3.836,347 2.871,348 4.148,350 9.552,351 2.769,352 4.123,353 2.919,354 6.113,355 3.661,356 2.681,357 3.753,359 8.852,360 2.624,361 3.626,362 2.707,363 5.549,364 3.016,365 2.065,366 2.955,368 6.738,369 1.96,370 3.384,371 2.104,372 5.401,373 2.905,374 1.955,375 2.746,377 6.256,378 1.852,379 3.197,380 2.028,381 4.518,382 2.536,383 1.576,384 2.305,386 4.467,387 1.511,388 2.928,389 1.603,390 4.111,391 2.403,392 1.414,393 2.094,395 3.28,396 1.397,397 2.895,398 1.461,399 3.625,400 2.393,401 1.403,402 2.019,404 3.004,405 1.389,406 2.856,407 1.408,408 3.604,409 2.188,410 1.212,411 1.756,413 2.909,414 1.181,415 2.614,416 1.252,417 3.502,418 1.737,419 0.792,420 1.309,422 1.756,423 0.747,424 1.97,425 0.725,426 3.182,427 1.309,428 0.366,429 0.553,431 0.786,432 0.344,433 1.322,434 0.408,435 2.676,436 0.855,437 -0.087,438 -0.124,440 -0.171,441 -0.082,442 1.081,443 -0.134,444 2.624,445 0.585,446 -0.355,447 -0.491,449 -0.812,450 -0.333,451 0.932,452 -0.403,453 2.26,454 0.377,455 -0.575,456 -0.839,458 -1.402,459 -0.544,460 0.772,461 -0.556,462 2.201,463 0.326,464 -0.634,465 -0.93,467 -1.599,468 -0.606,469 10.9,470 0.474,471 0.555,472 0.024,473 37.5,474 1.63,475 22,476 0.957,477 15.5,478 0.674,479 13.193,480 0.574,481 22.1,482 0.631,483 26.485,484 1.152,485 7.349,486 0.32,487 3.854,488 0.168,489 0.11,491 0.404,496 1.102,497 1.064,498 0.708,499 0.762,500 0.877,501 0.689,502 0.666,503 1.179,504 0.66,505 1.001,506 0.497,507 0.866,508 1.044,509 1.208,510 0.79,511 0.949,512 0.682,513 0.853,514 1.054,515 0.997,516 0.941,517 0.926,518 0.782,519 0.917,520 1.204,521 0.94,522 0.994,523 0.861,524 1.115,525 0.886,526 1.217,527 1.047,528 1.184,529 1.078,530 1.098,531 1.116,532 1.099,533 0.977,534 1.212,535 1.109,536 1.377,537 1.164,538 1.101,539 0.904,540 1.389,541 1.201,542 2.019,543 1.313,544 3.5,546 2.889,547 2.486,548 1.859,549 1.147,550 0.559,551 0.293,552 0.098,553 0.038,554 4975,555 14061,556 2.141,557 34.3,559 8,562 4,567 1.667,568 2,569 2.927,570 1.822,572 1,574 1,575 51.509,576 1.472,577 3.222,578 3.815,579 4.501,580 4.786,581 4.958,582 2.418,583 4.263,584 4.496,585 3.029,586 766.39,587 7.791,588 8258.58,589 1,590 1,592 1,593 179.525,594 1.422,595 4.454,596 0.135,598 0.076,599 0.059,600 0.048,601 0.031,602 0.018,603 0.013,604 0.008,605 0.008,606 0.396,607 0.33,608 1,609 0.777,610 103.594,611 -0.223,612 0.007,613 0.002,614 0.109,615 -0.182,616 0.097,617 0.149,618 -0.157,619 0.099,620 -0.093,621 -0.007,622 -0.024,623 0.056,624 -0.161,625 0.094,626 -0.057,627 0.029,628 0.007,629 0.087,630 0.047,631 -0.017,632 -0.022,633 0.166,634 -0.034,635 -0.092,636 0.096,637 -0.065,638 0.054,639 -0.029,640 0.011,641 -0.215,642 -0.055,643 -0.243,644 -0.131,645 -0.082,646 -0.179,647 -0.131,648 -0.042,649 -0.172,650 -0.105,651 -0.029,652 -0.137,653 -0.214,654 -0.022,655 -0.288,656 -0.146,657 -0.384,658 -0.212,659 1.379,660 3.476,661 0.826,662 15.66,663 1.007,664 1.121,665 1.65,666 2.723,667 0.723,668 3.296,669 3.664,670 4.043,671 4.394,672 4.691,673 4.836,674 5.043,675 5.182,676 5.209,677 5.176,678 4.693,679 0.706,680 300.35,681 3.296,682 4.86,683 5.759,684 6.678,685 7.6,686 8.531,687 9.462,688 10.398,689 11.334,690 12.272,691 17.1,695 2,699 1,700 1,701 2,708 4,709 8,710 2,714 4,715 1,716 21,718 1,728 2,738 35,739 22,740 2,741 26,743 38,744 17,745 16,746 4,747 8,752 4,753 7,767 1,768 16,785 1,786 1,789 12,790 5,791 4,792 6,797 6,803 0.5,813 1,818 1,822 1,823 3,826 1,827 1,855 2,862 23,863 2,877 1,882 1,884 1,893 11.5,894 6.383,895 5.056,896 1.942,898 4.423,899 1.589,900 1.079,901 2.935,902 11.93,903 3.676,904 4.379,905 5.128,906 5.865,907 6.537,908 7.052,909 7.645,910 8.178,911 8.584,912 8.924,913 1,914 42,915 8.417,917 3.694,918 7.841,919 15.756,921 13.146,924 2.341,925 53.833,929 94.169,930 111.586,931 132.324,936 111.586,937 94.169,938 132.324,941 141.604,942 51.888,943 50.418,945 94.169,947 94.169,948 243.91,952 94.169,956 43.434,957 166.905,958 33.571,960 94.169,961 132.324,962 111.586,965 94.169,966 19.175,967 77.709,968 16.602,969 130.425,970 94.169,971 132.324,972 111.586,973 0.585,974 0.37,975 0.218,976 0.124,977 21,978 9,979 0.026,980 1,981 2,982 1.211,983 3.384,984 203.585,985 0.211,986 19,987 104.042,993 13.564,994 4.977,995 1.931,996 2.454,997 130.425,998 14.809,999 9.197,1003 1.828,1004 1.683,1005 65.794,1006 338.079,1007 38.5,1020 35.262,1021 39.235,1022 0.287,1023 0.628,1024 0.744,1025 0.877,1026 0.933,1027 0.967,1028 4.922,1029 1.403,1030 5.765,1031 3.28,1032 4.344,1033 5.066,1034 2.228,1035 6.668,1036 4.267,1037 6.188,1038 1.212,1039 7.378,1040 3.004,1041 4.007,1042 5.007,1044 7.743,1045 3.873,1046 7.537,1047 0.792,1048 9.097,1049 2.909,1050 6.014,1051 7.456,1052 3.563,1053 10.928,1054 5.85,1055 8.927,1056 0.366,1057 10.877,1058 1.756,1059 6.538,1060 8.271,1062 12.856,1063 6.307,1064 10.352,1065 -0.087,1066 12.697,1067 0.786,1068 8.02,1069 10.169,1070 4.962,1071 15.574,1072 7.758,1073 11.803,1074 -0.355,1075 14.544,1076 -0.171,1077 8.933,1078 11.391,1080 17.851,1081 8.602,1082 13.275,1083 -0.575,1084 16.41,1085 -0.812,1086 10.224,1087 13.073,1088 6.378,1089 20.424,1090 9.853,1091 3.41,1092 -0.634,1093 18.291,1094 -1.402,1095 11.306,1096 14.483,1098 22.845,1099 10.869,1100 2.871,1101 12.509,1102 20.185,1103 -1.599,1104 12.533,1105 16.084,1106 7.797,1107 25.375,1108 12.048,1109 2.681,1110 9.552,1111 22.088,1112 4.854,1113 13.687,1114 17.579,1116 27.856,1117 13.139,1118 2.065,1119 8.852,1120 24,1121 4.148,1122 14.898,1123 19.152,1124 9.217,1125 30.377,1126 14.297,1127 1.955,1128 6.738,1129 25.919,1130 3.753,1131 16.085,1132 20.686,1134 32.882,1135 15.423,1136 1.576,1137 6.256,1138 27.845,1139 2.955,1140 17.294,1141 22.253,1142 10.638,1143 35.403,1144 16.576,1145 1.414,1146 4.467,1147 29.776,1148 2.746,1149 18.497,1150 23.805,1152 37.919,1153 17.72,1154 4761,1155 8119,1156 17.512,1157 25.318,1158 40.939,1159 42.766,1160 41.879,1161 39.527,1162 39.49,1163 56.985,1164 4.069,1165 120.218,1166 38.007,1167 5.506,1168 6.093,1169 6.841,1170 5.428,1171 5.41,1172 7.854,1173 4.069,1174 20.17,1175 5.23,1176 9.859,1177 1.575,1178 1.645,1179 1.611,1180 1.52,1181 1.519,1182 2.192,1183 0.157,1184 4.624,1185 1.462,1186 4.19,1187 4.229,1188 4.177,1189 4.065,1190 6.82,1191 4.088,1192 3.903,1193 3.937,1194 3.851,1195 3.828,1196 5.22,1197 3.829,1198 3.733,1199 3.769,1200 3.68,1201 3.654,1202 5.074,1203 3.658,1204 3.177,1205 3.236,1206 3.152,1207 2.998,1208 4.956,1209 3.028,1210 3.091,1211 3.177,1212 3.008,1213 2.887,1214 4.53,1215 2.908,1216 3.038,1217 3.147,1218 2.884,1219 2.813,1220 4.422,1221 2.817,1222 2.931,1223 3.003,1224 2.841,1225 2.775,1226 4.123,1227 2.778,1228 2.814,1229 2.908,1230 2.655,1231 2.591,1232 3.822,1233 2.602,1234 0.186,1235 0.157,1236 0.275,1237 0.168,1238 0.131,1239 4.841,1240 0.187,1241 4.093,1242 0.078,1243 7.156,1244 0.481,1245 4.357,1246 0.124,1247 3.41,1248 4.854,1249 2.035,1250 12.509,1251 3.23,1252 2.012,1253 1.982,1254 2.075,1255 2.135,1256 1.155,1257 2.117,1258 1.901,1259 1.87,1260 2.001,1261 2.009,1262 1.082,1263 2.008,1264 1.578,1265 1.551,1266 1.632,1267 1.716,1268 0.697,1269 1.694,1270 1.432,1271 1.378,1272 1.529,1273 1.619,1274 0.579,1275 1.607,1276 0.997,1277 0.912,1278 1.284,1279 1.318,1280 0.205,1281 1.32,1282 0.925,1283 0.868,1284 1.166,1285 1.183,1286 0.191,1287 1.157,1288 0.913,1289 0.853,1290 1.102,1291 1.113,1292 0.117,1293 1.12,1294 0.775,1295 0.679,1296 1.051,1297 1.043,1299 1.067,1300 3.97,1302 5.323,1303 2.398,1304 6.897,1305 4.949,1306 8.57,1307 7.222,1308 10.293,1313 12.263,1324 9.476,1325 2.123,1326 24.709,1327 51.509,1328 112.77,1329 133.525,1330 157.525,1331 167.525,1332 173.525,1333 32.377,1334 7.507,1335 106.54,1336 106.54,1337 23,1338 12.769,1339 4.524,1340 3.755,1341 31.497,1342 65,1343 58,1344 0.25,1345 152.831,1346 246.58,1347 364.668,1348 16654,1350 15.974,1351 0.695,1352 0.524,1353 15.974,1354 12.062,1355 11.203,1356 0.431,1357 0.27,1358 6.942,1359 10.887,1360 6.814,1361 5.647,1362 11.203,1363 7.021,1364 10.038,1365 0.264,1366 0.136,1367 10.038,1368 5.151,1369 9.237,1370 0.165,1371 0.068,1372 9.237,1373 3.787,1374 8.253,1375 0.103,1376 0.034,1377 8.253,1378 2.707,1379 6.969,1380 0.065,1381 0.017,1382 6.969,1383 1.856,1384 0.369,1385 69.464,1386 0.239,1387 21.693,1388 0.769,1389 128,1390 351.205,1391 138.047,1392 358.141,1393 506.06,1394 334,1395 158,1396 394.958,1397 169.768,1398 404.197,1399 598.64,1400 382,1401 4.95}
{0 CHEMBL1325540,1 1.657,2 14.226,3 4.359,4 18.997,5 123.775,6 7.938,7 0.471,8 4.109,9 4.226,10 3.727,11 3.658,12 5.224,13 3.638,14 4.642,15 4.807,16 4.118,17 4.049,18 5.738,19 4.01,20 4.876,21 5.065,22 4.236,23 4.214,24 5.983,25 4.143,26 4.958,27 5.161,28 4.215,29 4.191,30 6.141,31 4.11,32 4.866,33 5.088,34 4.152,35 4.122,36 5.986,37 4.026,38 4.77,39 4.954,40 4.059,41 4.073,42 5.944,43 3.969,44 4.695,45 4.894,46 3.873,47 3.95,48 5.851,49 3.833,50 4.584,51 4.821,52 3.694,53 3.853,54 5.541,55 3.717,56 0.053,57 0.812,58 10.416,59 4.821,60 8.114,61 6.062,62 0.315,63 1.325,64 21.426,65 8.07,66 25.89,67 10.664,68 0.323,69 1.613,70 29.154,71 11.351,72 39.969,73 14.357,74 0.507,75 1.697,76 35.346,77 11.714,78 77.229,79 14.288,80 0.464,81 1.532,82 32.043,83 11.093,84 58.406,85 14.146,86 0.331,87 1.408,88 30.727,89 11.005,90 56.887,91 12.702,92 0.619,93 1.295,94 28.711,95 9.462,96 70.223,97 11.323,98 0.161,99 1.14,100 23.603,101 9.264,102 25.35,103 12.281,104 34,105 48,106 0.271,107 0.639,108 0.806,109 0.871,110 0.871,111 0.871,112 3.472,113 0.937,114 -3.48,115 -3.45,116 -3.3,120 41.8,121 1,122 2,125 1,126 2,143 7,144 3,145 2,153 2,159 2,160 1,174 10,176 1,177 4,180 2,182 5,185 9,189 6,192 2,193 1,194 6,197 5,201 8,204 1,206 5,209 1,214 9,217 2,219 5,222 3,227 5,232 4,235 6,239 3,240 1,243 1,245 3,247 9,257 1,260 10,263 1,264 2,267 2,268 1,271 8,274 1705,275 21.102,276 21.102,277 21.102,278 21.102,279 21.102,280 18.959,281 24.707,282 12.414,283 21.569,284 16.664,285 16.664,286 16.664,287 16.664,288 16.664,289 13.101,290 30.951,291 5.789,292 17.325,293 4.124,294 1.879,295 0.857,296 0.464,297 0.464,298 0.464,299 4.167,306 1,307 1,308 949,309 3.742,312 57.728,313 253.57,316 225.557,320 2.183,321 33.537,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 67,333 441,334 4.708,335 4.026,336 6.946,337 4.295,338 3.33,339 4.626,340 1.826,341 11.731,342 3.217,343 4.219,344 3.556,345 6.393,346 3.864,347 2.894,348 3.775,349 1.088,350 9.717,351 2.842,352 4.14,353 3.475,354 6.028,355 3.781,356 2.794,357 3.563,358 1.058,359 8.585,360 2.72,361 3.763,362 3.139,363 5.685,364 3.4,365 2.428,366 3.124,367 0.86,368 7.464,369 2.374,370 3.637,371 2.762,372 5.267,373 3.226,374 2.273,375 2.98,376 0.492,377 6.649,378 2.144,379 3.449,380 2.686,381 5.258,382 3.01,383 2.075,384 2.662,385 0.132,386 6.336,387 1.911,388 3.303,389 2.067,390 5.167,391 2.864,392 1.907,393 2.614,395 6.047,396 1.818,397 2.932,398 2.011,399 4.455,400 2.699,401 1.723,402 2.002,404 4.061,405 1.678,406 2.778,407 1.781,408 4.224,409 2.359,410 1.376,411 1.834,413 3.884,414 1.347,415 2.57,416 1.631,417 3.563,418 2.276,419 1.291,420 1.541,422 2.762,423 1.261,424 2.5,425 1.557,426 3.501,427 2,428 1,429 1.5,431 2.275,432 1,433 2.205,434 1.111,435 3.419,436 1.704,437 0.769,438 1.06,440 1.875,441 0.71,442 1.964,443 1.042,444 3.414,445 1.63,446 0.647,447 0.733,449 1.449,450 0.63,451 1.738,452 1.004,453 2.903,454 1.476,455 0.501,456 0.603,458 0.952,459 0.476,460 1.633,461 1,462 2.788,463 1.304,464 0.406,465 0.487,467 0.694,468 0.363,469 14.933,470 0.482,471 0.746,472 0.024,473 39.25,474 1.266,475 19,476 0.613,477 20.25,478 0.653,479 26.517,480 0.855,481 33.067,482 0.601,483 31.846,484 1.027,485 7.789,486 0.251,487 7.223,488 0.233,489 0.167,491 0.362,496 0.803,497 1.25,498 0.672,499 0.923,500 0.563,501 0.897,502 0.8,503 1.104,504 0.697,505 0.888,506 0.56,507 0.874,508 0.841,509 1.095,510 0.826,511 0.979,512 0.819,513 0.952,514 1.295,515 1.077,516 1.067,517 1.007,518 1.404,519 0.977,520 0.999,521 0.889,522 0.832,523 0.818,524 1.106,525 0.818,526 1.292,527 1.156,528 1.287,529 1.197,530 1.435,531 1.067,532 1.164,533 0.881,534 1.317,535 1.067,536 1.454,537 1.087,538 0.538,539 1.04,540 0.828,541 1.025,542 0.572,543 1.018,544 6,545 0.167,546 3.778,547 2.389,548 2.226,549 1.341,550 0.673,551 0.576,552 0.321,553 0.187,554 13480,555 36245,556 2.065,557 43.6,558 5,559 14,562 3,564 2,567 1.733,568 1.918,569 3.726,570 0.876,572 1,575 91.139,576 1.657,577 3.902,578 4.924,579 5.318,580 5.318,581 5.318,582 3.256,583 4.672,584 4.915,585 3.885,586 1806.43,587 8.573,588 26044,590 1,593 317.975,594 1.462,595 4.877,596 0.176,597 0.007,598 0.079,599 0.046,600 0.047,601 0.03,602 0.017,603 0.018,604 0.011,605 0.007,606 0.439,607 0.33,608 1,609 1.479,610 162.82,611 -0.068,612 -0.113,613 0.025,614 -0.021,615 -0.045,616 0.018,617 0.089,618 -0.032,619 0.099,620 0.017,621 0.061,622 0.057,623 0.052,624 -0.068,625 0.076,626 -0.018,627 0.032,628 0.012,629 -0.131,630 -0.044,631 -0.039,632 -0.026,633 -0.081,634 -0.034,635 0.018,636 0.105,637 0.18,638 0.169,639 0.003,640 0.16,641 -0.17,642 -0.133,643 -0.116,644 -0.079,645 -0.122,646 -0.083,647 -0.002,648 0.163,649 -0.212,650 -0.026,651 -0.153,652 -0.133,653 0.07,654 -0.101,655 0.101,656 -0.032,657 0.069,658 0.02,659 1.865,660 6.149,661 0.613,662 38.323,663 1.005,664 1.122,665 2.245,666 5.04,667 0.685,668 3.555,669 3.892,670 4.205,671 4.489,672 4.779,673 4.934,674 5.1,675 5.293,676 5.361,677 5.398,678 7.727,679 0.649,680 436.58,681 3.555,682 5.106,683 5.974,684 6.866,685 7.759,686 8.663,687 9.568,688 10.48,689 11.392,690 12.309,691 7.3,698 3,699 1,708 2,709 7,711 1,714 5,716 16,723 1,735 1,738 55,739 19,740 2,741 34,743 58,744 23,745 14,746 5,747 7,748 2,752 4,753 7,757 1,759 1,766 2,768 17,769 6,772 3,778 2,779 1,782 3,786 1,789 24,790 6,791 3,792 8,793 1,797 4,800 1,803 0.5,804 3,818 1,822 1,823 3,826 2,855 2,857 1,859 2,862 31,869 4,871 2,872 1,875 1,886 5.5,889 2,891 1,893 16.167,894 10.45,895 6.944,896 3.408,898 3.289,899 1.404,900 0.998,901 6.484,902 11.422,903 3.829,904 4.428,905 5.043,906 5.646,907 6.22,908 6.6,909 6.995,910 7.397,911 7.592,912 7.764,913 0.9,914 52,915 11.492,917 4.925,918 7.801,919 21.793,921 17.846,924 2.301,925 71.333,928 1,929 247.193,930 172.053,931 55.931,933 61.29,935 45.192,936 126.861,937 308.483,938 55.931,939 19.708,940 48.426,941 66.334,942 59.699,943 44.73,944 5.185,945 247.193,946 45.192,947 247.193,948 182.793,949 61.29,950 45.192,952 223.651,953 84.832,956 74.037,957 108.756,959 45.192,960 247.193,961 117.221,962 172.053,965 247.193,966 40.819,967 89.166,968 52.807,969 106.482,970 247.193,971 117.221,972 172.053,973 0.578,974 0.347,975 0.184,976 0.105,977 23,978 11,979 0.121,980 7,981 2,982 1.211,983 4.216,984 280.77,985 0.211,986 19,987 149.58,990 1,993 21.653,994 9.283,995 4.408,996 1.679,997 100.436,998 12.8,1000 3.18,1003 3.306,1005 52.807,1006 536.468,1007 45,1013 25.323,1014 5.481,1017 0.044,1020 55.302,1021 61.693,1022 0.287,1023 0.675,1024 0.852,1025 0.92,1026 0.92,1027 0.92,1028 5.075,1029 1.723,1030 5.969,1031 6.047,1032 4.575,1033 5.115,1034 2.585,1035 6.815,1036 4.505,1037 6.288,1038 1.376,1039 7.551,1040 4.061,1041 4.205,1042 5.017,1043 1.404,1044 7.779,1045 4.107,1046 7.609,1047 1.291,1048 9.234,1049 3.884,1050 6.201,1051 7.343,1052 3.121,1053 10.911,1054 6.069,1055 8.967,1056 1,1057 10.976,1058 2.762,1059 6.661,1060 8.086,1061 2.761,1062 12.708,1063 6.502,1064 10.36,1065 0.769,1066 12.756,1067 2.275,1068 8.127,1069 9.907,1070 3.962,1071 15.377,1072 7.939,1073 11.776,1074 0.647,1075 14.562,1076 1.875,1077 8.969,1078 11.045,1079 4.064,1080 17.534,1081 8.752,1082 13.211,1083 0.501,1084 16.387,1085 1.449,1086 10.238,1087 12.675,1088 4.988,1089 20.05,1090 9.992,1091 3.33,1092 0.406,1093 18.228,1094 0.952,1095 11.26,1096 14.011,1097 5.329,1098 22.369,1099 10.981,1100 2.894,1101 11.731,1102 20.081,1103 0.694,1104 12.458,1105 15.568,1106 6.108,1107 24.836,1108 12.149,1109 2.794,1110 9.717,1111 21.945,1112 4.626,1113 13.564,1114 17.001,1115 6.57,1116 27.228,1117 13.22,1118 2.428,1119 8.585,1120 23.818,1121 3.775,1122 14.742,1123 18.532,1124 7.271,1125 29.681,1126 14.365,1127 2.273,1128 7.464,1129 25.699,1130 3.563,1131 15.888,1132 20.013,1133 7.795,1134 32.106,1135 15.475,1136 2.075,1137 6.649,1138 27.586,1139 3.124,1140 17.065,1141 21.537,1142 8.454,1143 34.557,1144 16.617,1145 1.907,1146 6.336,1147 29.479,1148 2.98,1149 18.232,1150 23.042,1151 9.012,1152 36.999,1153 17.747,1154 13028,1155 21580,1156 22.482,1157 37.648,1158 51.373,1159 54.434,1160 53.387,1161 50.838,1162 50.83,1163 66.205,1164 10.913,1165 148.959,1166 48.983,1167 5.653,1168 6.026,1169 6.856,1170 5.369,1171 5.33,1172 7.626,1173 3.222,1174 19.406,1175 5.217,1176 16.748,1177 1.511,1178 1.601,1179 1.57,1180 1.495,1181 1.495,1182 1.947,1183 0.321,1184 4.381,1185 1.441,1186 4.157,1187 4.187,1188 4.161,1189 4.057,1190 7.431,1191 4.069,1192 3.95,1193 3.977,1194 3.913,1195 3.882,1196 7.426,1197 3.88,1198 3.706,1199 3.771,1200 3.834,1201 3.551,1202 5.01,1203 3.545,1204 3.647,1205 3.682,1206 3.532,1207 3.52,1208 4.793,1209 3.506,1210 3.415,1211 3.466,1212 3.443,1213 3.227,1214 4.686,1215 3.236,1216 3.315,1217 3.377,1218 3.291,1219 3.14,1220 4.568,1221 3.112,1222 3.122,1223 3.204,1224 3.113,1225 2.941,1226 4.225,1227 2.919,1228 3.086,1229 3.147,1230 2.937,1231 2.908,1232 4.009,1233 2.884,1234 0.138,1235 0.118,1236 0.204,1237 0.126,1238 0.098,1239 4.708,1240 0.136,1241 4.026,1242 0.054,1243 6.946,1244 0.345,1245 4.295,1246 0.095,1247 3.33,1248 4.626,1249 1.826,1250 11.731,1251 3.217,1252 1.939,1253 1.917,1254 2.042,1255 2.039,1256 1.258,1257 2.04,1258 1.921,1259 1.901,1260 2.001,1261 2.017,1262 1.183,1263 2.013,1264 1.708,1265 1.663,1266 1.966,1267 1.912,1268 1.143,1269 1.92,1270 1.676,1271 1.618,1272 1.731,1273 1.856,1274 0.858,1275 1.847,1276 1.344,1277 1.29,1278 1.606,1279 1.596,1280 0.754,1281 1.598,1282 1.237,1283 1.176,1284 1.575,1285 1.546,1286 0.633,1287 1.552,1288 1.181,1289 1.107,1290 1.436,1291 1.407,1292 0.579,1293 1.425,1294 1.016,1295 0.968,1296 1.183,1297 1.245,1298 0.262,1299 1.255,1300 4.234,1302 5.565,1303 2.398,1304 7.098,1305 4.844,1306 8.728,1307 7.066,1308 10.414,1310 3.684,1315 2.953,1317 6.078,1318 5.292,1321 1.514,1326 35.685,1327 91.139,1328 214.614,1329 270.814,1330 292.465,1331 292.465,1332 292.465,1333 61.118,1334 8.133,1335 91.91,1336 124,1337 23,1338 12.821,1339 4.322,1340 3.585,1341 49.762,1342 141,1343 183,1344 0.172,1345 222.844,1346 386.8,1347 535.498,1348 40020,1350 21.957,1351 0.708,1352 0.589,1353 22.457,1354 18.267,1355 15.012,1356 0.442,1357 0.312,1358 10.099,1359 14.209,1360 9.806,1361 8.183,1362 15.3,1363 10.62,1364 13.3,1365 0.277,1366 0.163,1367 13.671,1368 7.801,1369 11.699,1370 0.177,1371 0.085,1372 12.031,1373 5.637,1374 9.56,1375 0.109,1376 0.043,1377 9.915,1378 3.808,1379 8.027,1380 0.068,1381 0.023,1382 8.369,1383 2.703,1384 0.275,1385 97.034,1386 0.211,1387 29.45,1388 0.456,1389 164,1390 486.711,1391 193.863,1392 491.14,1393 666.01,1394 458,1395 196,1396 475.908,1397 222.768,1398 491.221,1399 724.61,1400 461,1401 5.52}
{0 CHEMBL1325823,1 1.88,2 6.471,3 3.774,4 14.242,5 69.751,6 11.008,7 0.667,8 3.371,9 3.458,10 3.332,11 3.089,12 4.54,13 3.019,14 3.845,15 3.969,16 3.8,17 3.408,18 5.114,19 3.316,20 3.878,21 4.034,22 3.716,23 3.36,24 5.154,25 3.301,26 3.858,27 4.037,28 3.638,29 3.347,30 4.999,31 3.252,32 3.8,33 3.932,34 3.921,35 3.408,36 5.045,37 3.266,38 3.758,39 3.904,40 3.549,41 3.318,42 4.932,43 3.153,44 3.808,45 3.994,46 3.177,47 3.167,48 4.913,49 2.904,50 3.329,51 3.591,52 2.314,53 2.501,54 4.249,55 2.201,56 0.05,57 0.374,58 1.439,59 1.919,60 5.331,61 2.19,62 0.25,63 0.614,64 16.324,65 4.304,66 19.417,67 4.26,68 0.242,69 0.597,70 6.808,71 3.472,72 19.427,73 3.784,74 0.204,75 0.617,76 7.069,77 3.558,78 17.392,79 3.397,80 0.219,81 0.532,82 13.668,83 4.074,84 15.538,85 3.621,86 0.155,87 0.5,88 6.814,89 3.752,90 13.184,91 3.672,92 0.308,93 0.396,94 25.582,95 5.443,96 28.916,97 5.722,98 0.173,99 0.247,100 15.03,101 3.568,102 16.729,103 4.173,104 14,105 24,106 0.373,107 0.642,108 0.74,109 0.798,110 0.819,111 0.819,112 2.909,113 1.156,114 -5.49,115 -5.37,116 -5.01,120 42.3,125 1,129 1,143 5,144 1,150 2,151 1,174 6,176 3,177 4,185 7,189 8,197 3,201 6,209 1,214 6,222 6,227 2,235 6,240 1,247 5,260 2,274 306,275 11.439,276 11.439,277 11.439,278 11.439,279 11.439,280 10.079,281 6.858,282 6.869,283 12.29,284 8.833,285 8.833,286 8.833,287 8.833,288 8.833,289 6.724,290 6.572,291 3.198,292 10.142,293 2.821,294 1.461,295 0.966,296 0.673,297 0.567,298 0.567,299 3.561,301 2,306 1,307 1,308 224,309 2.449,313 106.51,320 1.031,321 14.202,324 0.75,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.81,332 36.167,333 110,334 4.349,335 4.332,336 6.256,337 3.913,338 2.991,339 4.015,340 2.95,341 9.491,342 2.794,343 3.914,344 3.376,345 5.86,346 3.502,347 2.599,348 3.417,349 2.011,350 8.034,351 2.31,352 3.51,353 2.822,354 5.215,355 3.061,356 2.248,357 2.756,359 6.426,360 1.804,361 3.198,362 2.471,363 4.402,364 2.71,365 1.759,366 2.488,368 4.345,369 1.658,370 2.598,371 1.894,372 3.724,373 2.078,374 1.207,375 1.64,377 2.816,378 1.046,379 2.5,380 1.593,381 3.484,382 2,383 1,384 1.5,386 2.492,387 1,388 2.328,389 1.078,390 3.247,391 1.752,392 1,393 1.293,395 2.136,396 0.622,397 1.583,398 1,399 2.816,400 1.193,401 0.43,402 0.481,404 0.637,405 0.324,406 0.913,407 0.486,408 2.536,409 0.463,410 -0.49,411 -0.662,413 -1.252,414 -0.4,415 0.691,416 0.2,417 2.105,418 0.166,419 -0.676,420 -0.869,422 -1.718,423 -0.458,424 0.539,425 -0.411,426 1.682,427 0.012,428 -0.91,429 -1,431 -2,432 -0.554,433 0.5,434 -0.58,435 1.555,437 -1,438 -1.206,440 -2.296,441 -0.819,443 -1,444 1.443,445 -0.6,446 -1,447 -1.5,449 -2.347,450 -1,451 -0.348,452 -1.044,453 1.01,454 -0.618,455 -1.461,456 -1.742,458 -4.014,459 -1.191,460 -0.5,461 -1.377,462 1,463 -0.958,464 -1.8,465 -2.209,467 -4.789,468 -1.518,469 8.962,470 0.527,471 0.383,472 0.023,473 23.5,474 1.382,475 12.5,476 0.735,477 11,478 0.647,479 12.145,480 0.714,481 17.438,482 0.671,483 13.225,484 0.778,485 4.215,486 0.248,487 3.988,488 0.235,489 0.215,491 0.279,496 0.645,497 1.24,498 0.542,499 0.756,500 0.754,501 0.762,502 0.671,503 1.133,504 0.944,505 1.201,506 0.755,507 0.946,508 0.497,509 1.179,510 0.521,511 0.82,512 0.471,513 0.831,514 1.128,515 0.963,516 0.676,517 0.62,518 1.087,519 0.7,520 0.846,521 1.081,522 0.725,523 0.878,524 0.83,525 0.868,526 1.171,527 1.036,528 1.096,529 1.055,530 0.971,531 1.14,532 1.895,533 0.833,534 2.129,535 1.561,536 1.915,537 1.543,538 1.263,539 0.753,540 1.471,541 1.233,542 1.34,543 1.329,544 3.5,546 1.556,547 0.875,548 0.884,549 0.771,550 0.204,551 0.109,552 0.061,554 2066,555 8368,556 1.994,557 34.6,559 8,560 1,567 1.576,568 1.855,569 2.762,570 -0.634,574 1,575 48.873,576 1.88,577 3.24,578 3.734,579 4.027,580 4.133,581 4.133,582 2.184,583 3.617,584 4.06,585 2.846,586 386.997,587 6.894,588 3516.18,589 1,590 1,592 1,593 122.211,594 1.447,595 4.01,596 0.194,598 0.065,599 0.036,600 0.042,601 0.037,602 0.013,603 0.012,604 0.02,606 0.42,607 0.67,608 0.88,609 1.045,610 69.277,611 -0.046,612 -0.209,613 0.01,614 -0.017,615 -0.182,616 -0.022,617 0.253,618 -0.077,619 -0.025,620 -0.238,621 0.128,622 -0.086,623 0.332,624 -0.139,625 0.126,626 -0.06,627 0.328,628 -0.007,629 -0.243,630 0.133,631 0.055,632 0.24,633 -0.236,634 0.161,635 0.115,636 -0.015,637 0.249,638 0.13,639 0.097,640 0.01,641 -0.262,642 -0.045,643 -0.146,644 -0.078,645 -0.052,646 -0.227,647 -0.495,648 -0.087,649 -0.586,650 -0.409,651 -0.47,652 -0.396,653 -0.14,654 -0.053,655 -0.175,656 -0.1,657 -0.131,658 -0.041,659 2.077,660 1.684,661 0.706,662 10.235,663 1.022,664 1.114,665 4.262,666 18.167,667 0.786,668 2.944,669 3.219,670 3.434,671 3.638,672 3.892,673 3.829,674 3.85,675 3.664,676 3.497,677 3.219,678 4.201,679 0.731,680 286.2,681 2.944,682 4.443,683 5.263,684 6.116,685 6.963,686 7.823,687 8.679,688 9.541,689 10.4,690 11.262,691 11.5,701 3,707 1,709 5,710 3,714 4,716 12,738 26,739 12,740 1,741 18,743 27,744 11,745 9,746 1,747 5,751 1,752 2,753 2,754 2,759 1,768 9,769 2,786 1,789 9,790 3,792 6,793 3,797 3,803 1,823 2,855 2,856 1,857 1,859 1,860 2,862 17,873 1,874 1,885 2,893 9.167,894 5.052,895 3.889,896 1.361,898 2.258,899 1.38,900 0.952,901 4.212,902 8.198,903 3.219,904 3.784,905 4.35,906 4.913,907 5.483,908 5.612,909 5.981,910 6.146,911 6.366,912 6.423,913 1,914 24,915 6.213,917 2.526,918 7.797,919 11.664,921 8.998,924 2.297,925 39.056,926 0.001,929 105.94,930 95.326,931 50.357,932 78.297,935 32.22,936 63.106,937 184.237,938 50.357,939 7.19,941 47.381,942 50.357,943 7.841,944 12.464,945 204.686,947 105.94,948 113.463,950 110.517,952 110.596,956 0.693,957 57.757,958 50.357,959 110.517,960 105.94,961 50.357,962 173.623,965 105.94,966 40.754,967 54.572,969 128.654,970 105.94,971 50.357,972 173.623,973 0.568,974 0.328,975 0.172,976 0.107,977 11,978 5,979 0.074,980 2,982 1,983 2.88,984 114.269,986 12,987 63.487,989 1,993 12.621,994 5.673,995 3.092,997 50.357,998 9.654,999 12.733,1003 2.498,1006 329.919,1007 24,1020 26.564,1021 28.964,1022 0.4,1023 0.689,1024 0.794,1025 0.857,1026 0.879,1027 0.879,1028 4.407,1029 0.43,1030 5.231,1031 2.136,1032 3.892,1033 4.466,1034 3.201,1035 5.994,1036 3.672,1037 5.597,1038 -0.49,1039 6.763,1040 0.637,1041 3.434,1042 4.111,1043 1.928,1044 6.81,1045 3.048,1046 6.879,1047 -0.676,1048 8.395,1049 -1.252,1050 5.434,1051 6.614,1052 5.144,1053 9.865,1054 5.058,1055 8.199,1056 -0.91,1057 10.084,1058 -1.718,1059 5.771,1060 7.04,1061 3.437,1062 11.472,1063 5.238,1064 9.549,1065 -1,1066 11.808,1067 -2,1068 7.252,1069 9.024,1070 7.236,1071 14.028,1072 6.729,1073 10.921,1074 -1,1075 13.556,1076 -2.296,1077 7.962,1078 9.849,1079 4.87,1080 15.972,1081 7.314,1082 12.309,1083 -1.461,1084 15.32,1085 -2.347,1086 9.216,1087 11.57,1088 9.371,1089 18.335,1090 8.559,1091 2.991,1092 -1.8,1093 17.095,1094 -4.014,1095 10.113,1096 12.625,1097 6.281,1098 20.435,1099 9.356,1100 2.599,1101 9.491,1102 18.879,1103 -4.789,1104 11.266,1105 14.199,1106 11.522,1107 22.721,1108 10.481,1109 2.248,1110 8.034,1111 20.669,1112 4.015,1113 12.256,1114 15.39,1115 7.684,1116 24.895,1117 11.388,1118 1.759,1119 6.426,1120 22.464,1121 3.417,1122 13.366,1123 16.881,1124 13.68,1125 27.151,1126 12.458,1127 1.207,1128 4.345,1129 24.264,1130 2.756,1131 14.403,1132 18.152,1133 9.084,1134 29.36,1135 13.422,1136 1,1137 2.816,1138 26.066,1139 2.488,1140 15.496,1141 19.597,1142 15.841,1143 31.606,1144 14.466,1145 1,1146 2.492,1147 27.872,1148 1.64,1149 16.558,1150 20.916,1151 10.482,1152 33.833,1153 15.459,1154 2156,1155 4454,1156 11.731,1157 20.426,1158 26.629,1159 29.15,1160 27.342,1161 26.552,1162 26.47,1163 35.179,1164 9.923,1165 72.751,1166 23.115,1167 5.011,1168 6.332,1169 6.058,1170 5.013,1171 4.991,1172 7.015,1173 5.9,1174 15.819,1175 4.794,1176 8.288,1177 1.479,1178 1.619,1179 1.519,1180 1.475,1181 1.471,1182 1.954,1183 0.551,1184 4.042,1185 1.284,1186 3.961,1187 3.997,1188 4.122,1189 3.877,1190 5.131,1191 3.876,1192 3.715,1193 3.756,1194 3.899,1195 3.597,1196 4.852,1197 3.588,1198 3.264,1199 3.307,1200 3.775,1201 3.243,1202 4.67,1203 3.137,1204 3.109,1205 3.158,1206 3.312,1207 2.993,1208 4.11,1209 2.959,1210 2.854,1211 2.925,1212 2.951,1213 2.735,1214 4.001,1215 2.715,1216 2.789,1217 2.852,1218 2.736,1219 2.632,1220 3.836,1221 2.621,1222 2.354,1223 2.425,1224 2.687,1225 2.159,1226 3.674,1227 2.152,1228 2.181,1229 2.252,1230 2.398,1231 1.936,1232 3.654,1233 1.96,1234 0.242,1235 0.241,1236 0.348,1237 0.217,1238 0.166,1239 4.349,1240 0.223,1241 4.332,1242 0.164,1243 6.256,1244 0.527,1245 3.913,1246 0.155,1247 2.991,1248 4.015,1249 2.95,1250 9.491,1251 2.794,1252 1.92,1253 1.891,1254 2.023,1255 2.022,1256 1.088,1257 2.021,1258 1.625,1259 1.587,1260 1.63,1261 1.797,1262 0.753,1263 1.784,1264 1.233,1265 1.186,1266 1.502,1267 1.408,1268 0.637,1269 1.489,1270 1.046,1271 1.007,1272 1.181,1273 1.196,1274 0.311,1275 1.223,1276 0.886,1277 0.821,1278 1.143,1279 1.062,1280 0.218,1281 1.107,1282 0.757,1283 0.697,1284 0.911,1285 0.942,1287 0.967,1288 0.256,1289 0.193,1290 0.381,1291 0.501,1293 0.489,1294 0.019,1296 0.359,1297 0.317,1299 0.289,1300 3.611,1302 4.89,1304 6.378,1306 7.956,1308 9.582,1310 1.894,1311 11.59,1319 1.43,1320 -0.744,1326 19.014,1327 48.873,1328 84.237,1329 97.092,1330 104.702,1331 107.457,1332 107.457,1333 20.836,1334 5.94,1335 38.67,1336 63.97,1337 12,1338 11.811,1339 3.7,1340 2.807,1341 28.187,1342 42,1343 38,1344 0.343,1345 132.115,1346 218.43,1347 314.12,1348 2194,1349 7.7,1350 12.251,1351 0.721,1352 0.665,1353 13.604,1354 11.298,1355 8.203,1356 0.456,1357 0.385,1358 4.972,1359 7.033,1360 4.617,1361 3.842,1362 9.338,1363 6.937,1364 7.144,1365 0.298,1366 0.21,1367 8.691,1368 5.04,1369 5.714,1370 0.19,1371 0.099,1372 6.641,1373 2.98,1374 4.402,1375 0.119,1376 0.05,1377 5.055,1378 1.835,1379 3.833,1380 0.08,1381 0.03,1382 4.695,1383 1.418,1384 0.508,1385 62.369,1386 0.292,1387 16.838,1388 1.023,1389 84,1390 278.203,1391 149.039,1392 350.753,1393 455.22,1394 328,1395 96,1396 269.459,1397 136.84,1398 301.719,1399 447.96,1400 280,1401 5.569}
{0 CHEMBL1325943,1 1.489,2 9.238,3 2.875,4 8.266,5 79.831,6 8.215,7 0.522,8 3.638,9 3.725,10 3.287,11 3.253,12 4.861,13 3.248,14 4.107,15 4.221,16 3.649,17 3.606,18 5.391,19 3.588,20 4.334,21 4.481,22 3.699,23 3.688,24 5.607,25 3.656,26 4.367,27 4.556,28 3.502,29 3.522,30 5.618,31 3.484,32 4.16,33 4.348,34 3.412,35 3.317,36 5.628,37 3.305,38 3.896,39 4.037,40 3.291,41 3.209,42 5.283,43 3.209,44 3.958,45 4.114,46 3.158,47 3.168,48 5.325,49 3.156,50 3.783,51 3.956,52 2.943,53 3.09,54 4.969,55 3.027,56 0.04,57 0.423,58 5.386,59 3.005,60 5.454,61 3.379,62 0.205,63 0.671,64 9.851,65 4.963,66 21.437,67 5.872,68 0.235,69 0.846,70 13.741,71 6.232,72 24.434,73 7.343,74 0.317,75 0.858,76 16.968,77 6.44,78 45.273,79 7.371,80 0.444,81 0.695,82 14.249,83 5.059,84 74.488,85 5.903,86 0.131,87 0.534,88 9.061,89 3.859,90 20.814,91 4.257,92 0.292,93 0.551,94 10.989,95 3.985,96 45.093,97 3.907,98 0.185,99 0.454,100 9.149,101 3.82,102 31.135,103 4.345,104 10,105 32,106 0.271,107 0.598,108 0.725,109 0.833,110 0.858,111 0.858,112 3.103,113 0.853,114 -4.64,115 -4.56,116 -4.29,120 50,121 1,136 1,139 1,143 8,144 3,145 1,159 2,174 12,176 1,177 3,180 1,182 2,185 13,189 6,192 2,194 3,197 9,201 6,206 3,209 3,213 2,214 6,219 3,222 3,227 7,232 2,235 5,240 6,247 7,252 3,260 9,264 2,271 8,274 541,275 14.085,276 14.085,277 14.085,278 14.085,279 14.085,280 12.167,281 13.754,282 8.288,283 14.206,284 11.343,285 11.343,286 11.343,287 11.343,288 11.343,289 8.408,290 14.351,291 3.958,292 11.521,293 3.598,294 1.802,295 1.103,296 0.515,297 0.375,298 0.375,299 3.783,305 1,306 1,307 1,308 419,309 2.646,313 173.029,317 91.355,320 1.32,321 23.532,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 194,334 4.391,335 3.746,336 6.331,337 4.012,338 3.042,339 3.964,340 1.674,341 9.701,342 2.947,343 4.174,344 3.53,345 6.05,346 3.803,347 2.803,348 3.756,349 1.058,350 8.684,351 2.796,352 3.852,353 2.876,354 5.764,355 3.448,356 2.458,357 3.256,359 7.692,360 2.425,361 3.622,362 2.591,363 5.02,364 3.243,365 2.236,366 2.965,368 6.002,369 2.246,370 3.137,371 2.167,372 4.665,373 2.705,374 1.755,375 2.265,377 5.015,378 1.654,379 2.884,380 1.878,381 4.155,382 2.424,383 1.429,384 2.048,386 3.623,387 1.419,388 2.805,389 1.644,390 3.648,391 2.34,392 1.335,393 1.85,395 2.996,396 1.331,397 2.534,398 1.408,399 3.618,400 2,401 1,402 1.5,404 2.387,405 1,406 2.5,407 1,408 3.414,409 1.95,410 0.941,411 1.4,413 2.275,414 0.938,415 1.422,416 0.733,417 2.812,418 1.063,419 0.075,420 0.093,422 0.183,423 0.073,424 1.119,425 0.452,426 2.63,427 0.771,428 -0.236,429 -0.303,431 -0.517,432 -0.235,433 1.084,434 0.105,435 2.216,436 0.607,437 -0.384,438 -0.513,440 -0.988,441 -0.375,442 0.676,443 -0.284,444 2,445 0.253,446 -0.752,447 -0.982,449 -1.905,450 -0.748,451 0.5,452 -0.514,453 2,455 -1,456 -1.45,458 -2.437,459 -0.988,460 0.493,461 -0.905,462 1.796,464 -1,465 -1.5,467 -2.965,468 -1,469 9.9,470 0.471,471 0.541,472 0.026,473 30,474 1.429,475 17,476 0.81,477 13,478 0.619,479 12.562,480 0.598,481 21.3,482 0.626,483 21.074,484 1.004,485 6.234,486 0.297,487 3.898,488 0.186,489 0.118,491 0.354,496 0.673,497 1.017,498 0.683,499 0.924,500 0.558,501 0.824,502 0.529,503 1.069,504 0.721,505 1.007,506 0.505,507 0.928,508 0.846,509 1.182,510 0.948,511 1.158,512 0.794,513 1.094,514 1.391,515 1.098,516 1.101,517 1.023,518 1.302,519 1.004,520 1.18,521 0.862,522 0.89,523 0.773,524 1.334,525 0.762,526 1.26,527 1.161,528 0.942,529 1.098,530 1.341,531 0.975,532 1.969,533 0.747,534 1.322,535 0.798,536 2.023,537 0.889,538 1.284,539 0.781,540 1.111,541 0.863,542 1.326,543 0.942,544 4.5,545 0.062,546 2.667,547 1.125,548 1.409,549 0.66,550 0.384,551 0.255,552 0.164,553 0.057,554 4419,555 12522,556 2.074,557 38.2,558 3,559 9,562 1,567 1.63,568 1.938,569 3.2,570 -0.338,572 1,574 1,575 50.626,576 1.489,577 3.285,578 3.984,579 4.572,580 4.712,581 4.712,582 2.661,583 4.107,584 4.366,585 3.293,586 691.592,587 7.471,588 7276.73,589 1,590 1,591 1,592 1,593 172.974,594 1.418,595 4.322,596 0.196,597 0.01,598 0.083,599 0.035,600 0.056,601 0.029,602 0.018,603 0.014,604 0.011,605 0.005,606 0.458,607 0.67,608 1,609 0.61,610 94.746,611 -0.04,612 -0.003,613 0.031,614 0.007,615 -0.072,616 0.032,617 0.242,618 -0.078,619 0.084,620 -0.061,621 0.109,622 -0.034,623 0.071,624 -0.188,625 -0.054,626 -0.215,627 0.018,628 -0.177,629 -0.18,630 -0.115,631 -0.059,632 -0.065,633 -0.119,634 -0.042,635 0.16,636 0.147,637 0.184,638 0.181,639 0.19,640 0.192,641 -0.119,642 -0.163,643 -0.009,644 -0.163,645 -0.039,646 -0.078,647 -0.42,648 0.252,649 -0.293,650 0.142,651 -0.331,652 -0.001,653 -0.21,654 0.135,655 -0.124,656 0.135,657 -0.19,658 0.044,659 2.228,660 5.122,661 0.762,662 14.585,663 1.011,664 1.106,665 3.408,666 11.613,667 0.704,668 3.178,669 3.497,670 3.738,671 3.951,672 4.22,673 4.19,674 4.19,675 4.277,676 4.344,677 4.19,678 5.35,679 0.686,680 279.31,681 3.178,682 4.71,683 5.549,684 6.415,685 7.273,686 8.141,687 9.005,688 9.875,689 10.741,690 11.612,691 2.9,698 1,709 8,714 4,716 12,723 1,738 34,739 15,740 2,741 23,743 36,744 17,745 12,746 4,747 8,748 4,752 3,753 4,759 1,768 16,769 1,772 3,778 2,780 1,782 3,785 1,786 1,789 13,790 4,791 1,792 4,797 1,803 0.667,804 3,823 3,827 1,841 1,845 2,855 2,859 1,862 21,871 1,872 1,886 8.8,889 2,891 1,893 10.833,894 6.5,895 4.583,896 1.951,898 2.676,899 1.397,900 0.998,901 3.486,902 9.419,903 3.497,904 4.078,905 4.615,906 5.119,907 5.668,908 5.782,909 5.989,910 6.263,911 6.563,912 6.596,913 1,914 32,915 7.759,917 3.339,918 7.96,919 14.416,921 11.623,924 2.46,925 51.667,929 141.253,930 123.564,931 18.011,933 61.29,936 123.564,937 202.543,938 18.011,939 8.825,940 18.011,941 85.286,942 64.943,943 25.8,945 141.253,947 141.253,948 141.575,949 61.29,952 141.253,953 61.29,956 26.836,957 102.506,958 12.233,960 141.253,961 79.3,962 123.564,965 141.253,966 29.453,967 94.111,968 18.011,969 61.29,970 141.253,971 79.3,972 123.564,973 0.585,974 0.338,975 0.174,976 0.102,977 16,978 7,979 0.056,980 2,981 1,982 1.125,983 3.355,984 159.533,985 0.125,986 16,987 88.239,993 13.438,994 5.447,995 2.819,997 79.3,998 14.28,1003 2.817,1005 18.011,1006 344.118,1007 32,1013 23.995,1015 1.618,1017 -0.758,1020 34.385,1021 37.618,1022 0.293,1023 0.646,1024 0.783,1025 0.899,1026 0.926,1027 0.926,1028 4.718,1029 1,1030 5.533,1031 2.996,1032 4.174,1033 4.762,1034 2.18,1035 6.315,1036 4.143,1037 5.931,1038 0.941,1039 7.079,1040 2.387,1041 3.761,1042 4.511,1044 7.14,1045 3.724,1046 7.234,1047 0.075,1048 8.721,1049 2.275,1050 5.746,1051 6.908,1052 2.956,1053 10.205,1054 5.677,1055 8.568,1056 -0.236,1057 10.418,1058 0.183,1059 6.111,1060 7.415,1062 11.813,1063 6.033,1064 9.93,1065 -0.384,1066 12.149,1067 -0.517,1068 7.584,1069 9.304,1070 3.869,1071 14.386,1072 7.476,1073 11.31,1074 -0.752,1075 13.902,1076 -0.988,1077 8.316,1078 10.18,1080 16.33,1081 8.19,1082 12.707,1083 -1,1084 15.672,1085 -1.905,1086 9.569,1087 11.83,1088 4.85,1089 18.713,1090 9.417,1091 3.042,1092 -1,1093 17.453,1094 -2.437,1095 10.482,1096 12.906,1098 20.813,1099 10.305,1100 2.803,1101 9.701,1102 19.242,1103 -2.965,1104 11.639,1105 14.43,1106 5.861,1107 23.118,1108 11.436,1109 2.458,1110 8.684,1111 21.038,1112 3.964,1113 12.641,1114 15.621,1116 25.294,1117 12.41,1118 2.236,1119 7.692,1120 22.84,1121 3.756,1122 13.757,1123 17.075,1124 6.884,1125 27.567,1126 13.499,1127 1.755,1128 6.002,1129 24.646,1130 3.256,1131 14.805,1132 18.334,1134 29.782,1135 14.517,1136 1.429,1137 5.015,1138 26.455,1139 2.965,1140 15.905,1141 19.748,1142 7.911,1143 32.044,1144 15.589,1145 1.335,1146 3.623,1147 28.267,1148 2.265,1149 16.976,1150 21.048,1152 34.279,1153 16.629,1154 4283,1155 7345,1156 15.315,1157 23.938,1158 34.819,1159 36.395,1160 35.303,1161 34.152,1162 34.148,1163 46.191,1164 5.465,1165 97.116,1166 33.657,1167 5.312,1168 5.746,1169 6.016,1170 5.101,1171 5.042,1172 6.964,1173 3.349,1174 16.426,1175 4.947,1176 9.57,1177 1.514,1178 1.582,1179 1.535,1180 1.485,1181 1.485,1182 2.008,1183 0.238,1184 4.222,1185 1.463,1186 4.002,1187 4.019,1188 3.959,1189 3.918,1190 7.436,1191 3.922,1192 3.914,1193 3.936,1194 3.857,1195 3.855,1196 7.426,1197 3.852,1198 3.559,1199 3.592,1200 3.499,1201 3.406,1202 4.852,1203 3.424,1204 3.3,1205 3.329,1206 3.23,1207 3.135,1208 4.713,1209 3.144,1210 3.002,1211 3.047,1212 2.893,1213 2.788,1214 4.272,1215 2.804,1216 2.924,1217 2.977,1218 2.751,1219 2.735,1220 4.088,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.699,1226 3.843,1227 2.708,1228 2.715,1229 2.735,1230 2.628,1231 2.538,1232 3.674,1233 2.559,1234 0.191,1235 0.163,1236 0.275,1237 0.174,1238 0.132,1239 4.391,1240 0.172,1241 3.746,1242 0.073,1243 6.331,1244 0.422,1245 4.012,1246 0.128,1247 3.042,1248 3.964,1249 1.674,1250 9.701,1251 2.947,1252 1.949,1253 1.931,1254 2.049,1255 2.053,1256 1.145,1257 2.047,1258 1.913,1259 1.891,1260 2.02,1261 1.994,1262 1.115,1263 2.004,1264 1.495,1265 1.465,1266 1.628,1267 1.684,1268 0.677,1269 1.667,1270 1.258,1271 1.216,1272 1.52,1273 1.459,1274 0.59,1275 1.472,1276 0.913,1277 0.88,1278 1.181,1279 1.221,1280 0.218,1281 1.189,1282 0.888,1283 0.821,1284 1.154,1285 1.11,1286 0.191,1287 1.123,1288 0.886,1289 0.821,1290 1.112,1291 1.062,1292 0.108,1293 1.107,1294 0.64,1295 0.622,1296 0.828,1297 0.871,1299 0.849,1300 3.85,1302 5.165,1304 6.681,1306 8.286,1308 9.935,1310 1.944,1317 2.593,1318 5.178,1326 23.327,1327 50.626,1328 111.69,1329 135.464,1330 155.464,1331 160.219,1332 160.219,1333 34.637,1334 6.743,1335 59.31,1336 59.31,1337 18,1338 12.155,1339 4,1340 3.322,1341 32.242,1342 67,1343 69,1344 0.238,1345 144.097,1346 257.39,1347 343.355,1348 6993,1350 14.82,1351 0.706,1352 0.544,1353 14.82,1354 11.421,1355 10.131,1356 0.44,1357 0.284,1358 6.47,1359 9.819,1360 6.292,1361 5.254,1362 10.131,1363 6.543,1364 9.246,1365 0.289,1366 0.15,1367 9.246,1368 4.806,1369 7.691,1370 0.188,1371 0.078,1372 7.691,1373 3.203,1374 6.05,1375 0.119,1376 0.04,1377 6.05,1378 2.049,1379 5.192,1380 0.077,1381 0.021,1382 5.192,1383 1.433,1384 0.369,1385 63.166,1386 0.256,1387 20.803,1388 0.661,1389 110,1390 355.539,1391 120.8,1392 342.188,1393 462.37,1394 318,1395 128,1396 337.799,1397 138.581,1398 341.921,1399 498.81,1400 321,1401 6.678}
{0 CHEMBL1326110,1 1.829,2 6.474,3 3.996,4 15.966,5 66.499,6 11.107,7 0.714,8 3.394,9 3.473,10 3.282,11 3.04,12 4.789,13 3.069,14 3.878,15 3.99,16 3.742,17 3.419,18 5.275,19 3.457,20 4.094,21 4.213,22 3.899,23 3.554,24 5.739,25 3.584,26 4.114,27 4.267,28 3.89,29 3.513,30 5.665,31 3.507,32 3.919,33 4.084,34 3.566,35 3.253,36 5.503,37 3.237,38 3.556,39 3.682,40 3.37,41 2.918,42 5.297,43 2.918,44 3.309,45 3.479,46 2.945,47 2.342,48 5.203,49 2.439,50 2.977,51 3.256,52 2.144,53 1.669,54 5.03,55 1.694,56 0.154,57 0.516,58 0.808,59 1.749,60 20.536,61 1.484,62 0.31,63 0.832,64 3.829,65 3.101,66 43.327,67 2.934,68 0.602,69 1.134,70 5.555,71 3.995,72 94.258,73 2.934,74 0.542,75 0.949,76 6.54,77 4.278,78 69.367,79 3.956,80 0.502,81 0.759,82 11.177,83 3.491,84 75.507,85 2.573,86 0.345,87 0.537,88 5.481,89 2.785,90 52.874,91 2.543,92 0.34,93 0.51,94 3.862,95 2.154,96 53.633,97 1.672,98 0.281,99 0.361,100 5.589,101 1.916,102 71.55,103 2.359,104 27,105 32,106 0.352,107 0.754,108 0.791,109 0.843,110 0.858,111 0.858,112 3.014,113 0.824,114 -4.58,115 -4.5,116 -4.23,120 52,121 1,143 3,144 2,145 2,147 1,153 1,154 1,159 1,162 1,174 3,176 1,177 7,185 4,189 5,197 2,200 2,201 6,209 6,222 4,227 3,235 2,274 332,275 12.525,276 12.525,277 12.525,278 12.525,279 12.525,280 10.575,281 8.148,282 6.935,283 12.907,284 10.255,285 10.255,286 10.255,287 10.255,288 10.255,289 7.2,290 5.507,291 3.17,292 11.017,293 2.815,294 0.731,295 0.54,296 0.27,297 0.19,298 0.19,299 3.682,304 1,306 1,307 1,308 260,309 2.345,312 24.031,313 70.994,316 99.963,320 0.975,321 33.673,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 42.833,333 123,334 4.841,335 4.088,336 7.053,337 4.304,338 3.367,339 4.946,340 2.035,341 12.146,342 3.16,343 4.281,344 3.457,345 6.28,346 3.812,347 2.849,348 3.993,350 9.336,351 2.749,352 3.906,353 3.234,354 5.887,355 3.417,356 2.483,357 3.381,359 7.93,360 2.284,361 3.647,362 2.687,363 5.51,364 3.095,365 2.211,366 3.089,368 6.816,369 1.911,370 3.274,371 2.625,372 5.146,373 2.77,374 1.807,375 2.563,377 5.726,378 1.733,379 3.21,380 2.159,381 4.647,382 2.543,383 1.611,384 2.275,386 4.706,387 1.467,388 2.995,389 1.926,390 3.842,391 1.912,392 0.986,393 1.552,395 2.484,396 0.9,397 2.236,398 1.403,399 3.617,400 1.692,401 0.832,402 1.107,404 1.902,405 0.677,406 1.596,407 1.067,408 2.871,409 0.822,410 -0.079,411 -0.113,413 -0.148,414 -0.065,415 1.211,416 0.331,417 2.682,418 0.747,419 -0.144,420 -0.222,422 -0.337,423 -0.126,424 0.905,425 0.034,426 2.47,427 0.398,428 -0.5,429 -0.63,431 -1.274,432 -0.389,433 0.674,434 -0.021,435 2.419,436 0.272,437 -0.603,438 -0.778,440 -1.495,441 -0.514,442 0.259,443 -0.589,444 2.054,445 -0.211,446 -1.07,447 -1.439,449 -2.956,450 -0.868,451 0.071,452 -0.99,453 1.68,454 -0.404,455 -1.306,456 -1.72,458 -3.757,459 -1.15,460 -0.171,461 -1.005,462 1.491,463 -0.558,464 -1.42,465 -1.934,467 -3.87,468 -1.257,469 8.986,470 0.473,471 0.648,472 0.034,473 27.75,474 1.461,475 15,476 0.789,477 12.75,478 0.671,479 12.702,480 0.669,481 19.214,482 0.769,483 18.76,484 0.987,485 5.476,486 0.288,487 3.549,488 0.187,489 0.243,491 0.49,494 2,496 0.57,497 0.905,498 0.455,499 0.803,500 0.509,501 0.727,502 0.608,503 0.922,504 0.465,505 0.82,506 0.546,507 0.69,508 0.942,509 0.986,510 0.942,511 0.902,512 0.797,513 0.901,514 0.74,515 0.772,516 0.939,517 0.893,518 0.787,519 1.001,520 1.088,521 0.68,522 1.836,523 0.964,524 1.176,525 1.072,526 0.864,527 1.21,528 1.203,529 1.548,530 0.948,531 1.421,532 1.535,533 1.792,534 0.869,535 1.604,536 1.836,537 1.427,538 1.198,539 1.144,540 0.619,541 1.057,542 0.97,543 1.099,544 4.5,546 2.889,547 2.229,548 1.76,549 0.973,550 0.385,551 0.275,554 2667,555 11948,556 2.019,557 24,558 3,559 3,567 1.612,568 1.81,569 2.734,570 -0.672,575 45.726,576 1.829,577 3.913,578 4.103,579 4.374,580 4.454,581 4.454,582 1.978,583 4.037,584 4.221,585 2.806,586 479.782,587 7.232,588 4498.13,590 1,592 1,593 116.096,594 1.524,595 4.135,596 0.214,598 0.09,599 0.064,600 0.057,601 0.044,602 0.024,603 0.028,606 0.521,607 0.83,608 1,609 0.954,610 79.094,611 -0.035,612 -0.11,613 0.005,614 -0.063,615 -0.01,616 -0.024,617 0.032,618 -0.108,619 0.162,620 -0.008,621 0.03,622 0.134,623 -0.049,624 -0.015,625 -0.14,626 -0.023,627 0.034,628 -0.095,629 0.057,630 0.054,631 0.066,632 0.036,633 -0.031,634 -0.032,635 -0.194,636 0.14,637 -0.461,638 0.029,639 -0.252,640 -0.075,641 0.134,642 -0.297,643 0.037,644 -0.519,645 0.068,646 -0.389,647 -0.062,648 -0.489,649 0.093,650 -0.519,651 -0.18,652 -0.368,653 0.31,654 0.045,655 0.579,656 0.259,657 0.703,658 0.527,659 2.651,660 5.323,661 0.684,662 10.864,663 1.052,664 1.135,665 3.346,666 11.197,667 0.761,668 3.091,669 3.497,670 3.85,671 4.19,672 4.466,673 4.644,674 4.736,675 4.844,676 4.727,677 4.511,678 4.07,679 0.77,680 277.67,681 3.091,682 4.673,683 5.572,684 6.503,685 7.425,686 8.361,687 9.291,688 10.23,689 11.163,690 12.103,691 12,699 1,700 1,701 1,708 3,709 3,710 1,714 5,716 15,718 1,737 3,738 25,739 16,740 1,741 21,743 27,744 13,745 11,746 4,747 2,752 3,753 6,754 1,759 1,767 1,768 11,769 1,786 1,787 2,789 6,790 4,792 6,793 1,794 1,797 3,803 0.333,816 1,822 1,823 2,826 2,855 1,859 1,860 1,861 2,862 19,877 1,882 1,884 1,885 3,893 10.5,894 5.279,895 4.111,896 1.47,898 3.46,899 1.504,900 1.038,901 2.531,902 10.33,903 3.45,904 4.193,905 4.951,906 5.708,907 6.371,908 6.926,909 7.424,910 7.912,911 8.162,912 8.371,913 0.6,914 35,915 7.034,917 3.211,918 8.392,919 12.551,921 10.45,924 2.892,925 54.944,929 70.627,930 87.544,931 49.131,932 39.149,934 29.92,936 87.544,937 109.775,938 79.052,939 8.825,941 28.429,942 35.103,943 62.175,944 71.213,945 70.627,947 70.627,948 136.676,949 29.92,950 39.149,952 100.547,956 48.102,957 71.788,958 16.786,959 39.149,960 100.547,961 49.131,962 126.693,965 70.627,966 33.689,967 38.54,968 16.602,969 116.914,970 70.627,971 79.052,972 126.693,973 0.602,974 0.378,975 0.211,976 0.118,977 18,978 9,981 2,982 1.308,983 2.93,984 152.608,985 0.308,986 13,987 80.711,993 12.043,994 3.993,995 1.616,996 0.88,997 77.765,998 3.604,999 4.159,1003 -0.676,1006 276.371,1007 30.5,1020 26.305,1021 28.364,1022 0.394,1023 0.843,1024 0.884,1025 0.942,1026 0.959,1027 0.959,1028 4.725,1029 0.832,1030 5.617,1031 2.484,1032 4.174,1033 4.879,1034 2.228,1035 6.535,1036 4.036,1037 6.025,1038 -0.079,1039 7.251,1040 1.902,1041 4.007,1042 5.007,1044 7.621,1045 3.775,1046 7.398,1047 -0.144,1048 8.98,1049 -0.148,1050 5.878,1051 7.329,1052 3.563,1053 10.778,1054 5.632,1055 8.807,1056 -0.5,1057 10.762,1058 -0.337,1059 6.479,1060 8.258,1062 12.668,1063 6.143,1064 10.244,1065 -0.603,1066 12.576,1067 -1.274,1068 7.892,1069 10.101,1070 4.962,1071 15.376,1072 7.535,1073 11.705,1074 -1.07,1075 14.414,1076 -1.495,1077 8.83,1078 11.398,1080 17.615,1081 8.393,1082 13.184,1083 -1.306,1084 16.269,1085 -2.956,1086 10.087,1087 13.069,1088 6.378,1089 20.174,1090 9.614,1091 3.367,1092 -1.42,1093 18.139,1094 -3.757,1095 11.172,1096 14.533,1098 22.561,1099 10.626,1100 2.849,1101 12.146,1102 20.02,1103 -3.87,1104 12.381,1105 16.145,1106 7.797,1107 25.072,1108 11.786,1109 2.483,1110 9.336,1111 21.911,1112 4.946,1113 13.531,1114 17.682,1116 27.522,1117 12.866,1118 2.211,1119 7.93,1120 23.81,1121 3.993,1122 14.728,1123 19.276,1124 9.217,1125 30.018,1126 14.006,1127 1.807,1128 6.816,1129 25.716,1130 3.381,1131 15.907,1132 20.845,1134 32.494,1135 15.118,1136 1.611,1137 5.726,1138 27.629,1139 3.089,1140 17.105,1141 22.436,1142 10.638,1143 34.988,1144 16.254,1145 0.986,1146 4.706,1147 29.547,1148 2.563,1149 18.298,1150 24.02,1152 37.475,1153 17.38,1154 2719,1155 5836,1156 13.353,1157 19.034,1158 33.827,1159 36.711,1160 35.202,1161 32.463,1162 32.29,1163 45.811,1164 4.069,1165 102.093,1166 29.762,1167 5.341,1168 6.088,1169 6.558,1170 5.35,1171 5.367,1172 7.946,1173 4.069,1174 19.719,1175 5.16,1176 11.289,1177 1.611,1178 1.748,1179 1.676,1180 1.546,1181 1.538,1182 2.181,1183 0.194,1184 4.862,1185 1.417,1186 4.217,1187 4.253,1188 4.253,1189 4.092,1190 8.24,1191 4.115,1192 3.759,1193 3.784,1194 3.794,1195 3.683,1196 8.161,1197 3.687,1198 3.295,1199 3.356,1200 3.496,1201 3.1,1202 6.82,1203 3.125,1204 3.203,1205 3.248,1206 3.237,1207 3.065,1208 5.11,1209 3.077,1210 2.985,1211 3.052,1212 2.985,1213 2.795,1214 4.661,1215 2.807,1216 2.836,1217 2.899,1218 2.844,1219 2.679,1220 4.229,1221 2.665,1222 2.432,1223 2.476,1224 2.452,1225 2.253,1226 3.907,1227 2.282,1228 2.229,1229 2.308,1230 2.302,1231 2.009,1232 3.673,1233 1.992,1234 0.231,1235 0.195,1236 0.336,1237 0.205,1238 0.16,1239 4.841,1240 0.236,1241 4.088,1242 0.097,1243 7.053,1244 0.578,1245 4.304,1246 0.15,1247 3.367,1248 4.946,1249 2.035,1250 12.146,1251 3.16,1252 1.973,1253 1.947,1254 2.013,1255 2.096,1256 1.196,1257 2.076,1258 1.845,1259 1.822,1260 1.907,1261 1.954,1262 1.022,1263 1.938,1264 1.227,1265 1.151,1266 1.494,1267 1.465,1268 0.574,1269 1.486,1270 1.12,1271 1.089,1272 1.145,1273 1.301,1274 0.186,1275 1.26,1276 0.918,1277 0.864,1278 1.113,1279 1.149,1280 0.084,1281 1.124,1282 0.772,1283 0.725,1284 0.848,1285 0.987,1287 0.963,1288 0.592,1289 0.528,1290 0.77,1291 0.834,1293 0.833,1294 0.108,1295 0.063,1296 0.224,1297 0.316,1299 0.311,1300 3.761,1302 5.142,1303 2.398,1304 6.727,1305 4.844,1306 8.413,1307 7.081,1308 10.152,1310 1.727,1311 6.101,1312 26.54,1324 9.147,1325 2.026,1326 19.239,1327 45.726,1328 97.832,1329 102.587,1330 109.342,1331 111.342,1332 111.342,1333 40.183,1334 6.87,1335 41.09,1336 41.09,1337 17,1338 12.599,1339 4.087,1340 3.392,1341 27.529,1342 48,1343 40,1344 0.316,1345 120.984,1346 202.91,1347 286.96,1348 6997,1349 12,1350 13.732,1351 0.723,1352 0.551,1353 12.491,1354 10.464,1355 9.024,1356 0.43,1357 0.275,1358 5.325,1359 8.336,1360 5.172,1361 4.243,1362 8.508,1363 5.769,1364 8.589,1365 0.268,1366 0.142,1367 7.818,1368 4.55,1369 7.612,1370 0.165,1371 0.071,1372 6.995,1373 3.254,1374 6.655,1375 0.102,1376 0.037,1377 6.643,1378 2.421,1379 5.292,1380 0.062,1381 0.018,1382 5.127,1383 1.558,1384 0.458,1385 60.314,1386 0.274,1387 18.099,1388 0.991,1389 106,1390 459.361,1391 135.715,1392 427.865,1393 556.7,1394 394,1395 131,1396 379.98,1397 156.889,1398 383.651,1399 569.52,1400 360,1401 5.474}
{0 CHEMBL1326249,1 1.52,2 11.886,3 6.579,4 43.283,5 140.602,6 7.874,7 0.579,8 4.167,9 4.276,10 3.771,11 3.765,12 5.392,13 3.747,14 4.618,15 4.76,16 4.111,17 4.12,18 5.839,19 4.083,20 4.855,21 5.027,22 4.171,23 4.206,24 6.101,25 4.152,26 4.928,27 5.149,28 4.107,29 4.132,30 6.118,31 4.078,32 4.831,33 5.015,34 4.129,35 4.067,36 6.202,37 4.05,38 4.878,39 5.071,40 4.135,41 4.091,42 6.241,43 4.066,44 4.869,45 5.055,46 4.133,47 4.1,48 6.187,49 4.083,50 4.859,51 5.035,52 4.161,53 4.153,54 6.155,55 4.13,56 0.076,57 0.819,58 10.441,59 5.092,60 12.835,61 6.197,62 0.195,63 1.254,64 17.852,65 8.285,66 26.853,67 10.695,68 0.333,69 1.567,70 24.652,71 10.289,72 47.376,73 13.265,74 0.4,75 1.65,76 30.167,77 10.848,78 65.186,79 14.285,80 0.456,81 1.496,82 26.011,83 9.01,84 87.412,85 11.145,86 0.546,87 1.556,88 27.921,89 9.514,90 94.249,91 11.897,92 0.516,93 1.536,94 27.753,95 9.361,96 87.798,97 11.137,98 0.339,99 1.538,100 26.082,101 9.497,102 62.912,103 11.463,104 26,105 52,106 0.242,107 0.574,108 0.696,109 0.809,110 0.846,111 0.862,112 3.588,113 0.868,114 -5.49,115 -5.37,116 -5.01,120 47.5,121 2,136 2,137 1,139 1,143 13,144 4,145 1,153 1,154 1,159 2,167 1,174 21,176 1,177 2,180 1,181 1,182 4,185 24,188 1,189 6,192 4,194 6,197 16,201 9,204 3,206 7,209 8,213 2,214 14,219 5,222 8,226 1,227 14,230 2,232 4,235 9,240 14,244 2,245 5,247 10,252 15,257 5,260 15,264 8,267 2,269 8,271 20,274 2717,275 23.499,276 23.499,277 23.499,278 23.499,279 23.499,280 20.006,281 18.243,282 14.058,283 23.669,284 18.77,285 18.77,286 18.77,287 18.77,288 18.77,289 13.507,290 17.675,291 6.732,292 19.023,293 4.363,294 2.275,295 1.511,296 0.797,297 0.568,298 0.466,299 4.28,307 1,308 894,309 4.528,312 92.265,313 389.308,316 171.21,320 1.68,321 36.71,324 0.75,325 0.83,326 1,327 0.6,329 1,330 1,331 0.74,332 75,333 416,334 4.639,335 3.645,336 6.728,337 4.159,338 3.19,339 4.6,340 1.058,341 10.957,342 3.094,343 4.269,344 3.48,345 6.16,346 3.905,347 2.911,348 3.738,349 0.98,350 9.07,351 2.886,352 4.092,353 3.273,354 5.913,355 3.693,356 2.686,357 3.627,359 8.215,360 2.7,361 3.967,362 2.706,363 5.509,364 3.557,365 2.555,366 3.453,368 7.322,369 2.556,370 3.762,371 2.566,372 5.467,373 3.347,374 2.368,375 3.231,377 6.907,378 2.316,379 3.516,380 2.314,381 4.968,382 3.072,383 2.072,384 2.818,386 5.771,387 2.07,388 3.374,389 2.185,390 4.81,391 2.919,392 1.945,393 2.695,395 5.421,396 1.889,397 3.267,398 2.091,399 4.706,400 2.801,401 1.798,402 2.526,404 4.774,405 1.796,406 3.074,407 1.887,408 4.381,409 2.596,410 1.655,411 2.295,413 4.333,414 1.549,415 2.951,416 1.852,417 3.964,418 2.44,419 1.443,420 2.062,422 3.365,423 1.437,424 2.775,425 1.412,426 3.642,427 2.298,428 1.315,429 1.823,431 2.967,432 1.289,433 2.562,434 1.323,435 3.56,436 2.026,437 1.027,438 1.5,440 2.512,441 1.02,442 2.5,443 1.243,444 3.401,445 2,446 1,447 1.5,449 2.136,450 1,451 2.5,452 1,453 3.247,454 2,455 1,456 1.492,458 2.136,459 1,460 2.415,461 1,462 3.247,463 1.831,464 0.827,465 1.2,467 2.108,468 0.822,469 16.6,470 0.474,471 0.856,472 0.024,473 49.75,474 1.421,475 28.5,476 0.814,477 21.25,478 0.607,479 26.891,480 0.768,481 35.6,482 0.603,483 42.846,484 1.224,485 10.332,486 0.295,487 6.57,488 0.188,489 0.12,491 0.331,496 0.733,497 1.003,498 0.758,499 0.897,500 0.683,501 0.841,502 0.48,503 1.149,504 0.758,505 1.034,506 0.529,507 0.961,508 0.758,509 1.206,510 0.977,511 1.178,512 0.8,513 1.128,514 1.057,515 1.036,516 0.911,517 0.955,518 1.052,519 0.912,520 1.404,521 1.138,522 1.007,523 0.975,524 1.323,525 0.924,526 1.38,527 1.061,528 1.017,529 0.93,530 1.38,531 0.908,532 1.762,533 0.962,534 1.088,535 0.831,536 1.838,537 0.844,538 1.534,539 1.075,540 1.063,541 0.963,542 1.491,543 0.933,544 7,545 0.292,546 3.778,547 2.701,548 1.676,549 1.299,550 0.789,551 0.51,552 0.514,553 0.398,554 18163,555 48806,556 2.058,557 40.7,558 6,559 15,562 3,567 1.774,568 1.927,569 3.52,570 0.763,575 89.676,576 1.52,577 3.608,578 4.372,579 5.086,580 5.315,581 5.416,582 2.891,583 4.844,584 5.102,585 3.737,586 2223.43,587 8.995,588 35990.4,593 347.076,594 1.404,595 5.06,596 0.184,597 0.006,598 0.073,599 0.052,600 0.035,601 0.027,602 0.016,603 0.01,604 0.01,605 0.008,606 0.42,607 0.17,608 0.75,609 0.548,610 189.444,611 -0.032,612 0.084,613 0.016,614 0.068,615 -0.096,616 0.051,617 0.206,618 -0.106,619 0.075,620 -0.056,621 0.09,622 -0.026,623 0.156,624 -0.172,625 -0.065,626 -0.217,627 0.049,628 -0.192,629 0.025,630 -0.019,631 0.107,633 0.009,634 0.054,635 -0.018,636 -0.08,637 -0.008,638 -0.051,639 0.067,640 -0.026,641 0.015,642 -0.011,643 -0.002,644 -0.003,645 0.056,647 -0.223,648 0.087,649 -0.068,650 0.094,651 -0.212,652 0.048,653 -0.223,654 -0.025,655 -0.094,656 -0.028,657 -0.137,658 -0.032,659 2.42,660 6.045,661 0.6,662 37.468,663 1.004,664 1.115,665 4.259,666 18.141,667 0.695,668 3.664,669 3.97,670 4.205,671 4.443,672 4.625,673 4.595,674 4.673,675 4.754,676 4.736,677 4.787,678 7.608,679 0.669,680 464.56,681 3.664,682 5.198,683 6.033,684 6.899,685 7.751,686 8.621,687 9.482,688 10.355,689 11.222,690 12.097,691 6.8,698 1,699 1,704 2,708 2,709 13,711 1,714 5,716 22,723 1,734 1,738 59,739 27,740 3,741 38,743 62,744 28,745 20,746 5,747 13,748 6,752 4,753 5,759 2,768 26,769 2,772 5,778 2,780 2,781 2,782 4,789 24,790 6,791 3,792 7,797 4,802 1,803 0.75,804 3,818 1,822 1,823 3,826 1,845 3,846 1,855 3,859 2,862 35,868 1,871 1,886 5.1,888 1,889 2,893 18.167,894 11.183,895 7.722,896 3.336,898 4.365,899 1.576,900 0.982,901 7.345,902 11.942,903 4.007,904 4.618,905 5.21,906 5.789,907 6.303,908 6.527,909 6.909,910 7.28,911 7.419,912 7.719,913 0.875,914 52,915 12.944,917 5.513,918 7.881,919 24.125,921 19.257,924 2.381,925 83.333,929 247.193,930 192.176,931 68.122,933 92.973,936 192.176,937 340.166,938 68.122,939 17.65,940 18.011,941 142.144,942 105.139,943 34.858,944 35.47,945 247.193,947 247.193,948 260.299,949 92.973,952 247.193,953 92.973,956 52.447,957 152.817,958 55.035,960 247.193,961 161.095,962 192.176,965 247.193,966 32.382,967 159.794,968 34.796,969 126.299,970 247.193,971 161.095,972 192.176,973 0.578,974 0.332,975 0.179,976 0.099,977 23,978 11,979 0.113,980 7,981 1,982 1.095,983 4.555,984 322.354,985 0.095,986 21,987 171.525,993 23.871,994 10.77,995 5.998,996 1.308,997 144.31,998 23.734,1000 2.817,1003 2.279,1005 77.48,1006 600.465,1007 54,1013 25.803,1015 3.432,1016 7.82,1017 -0.508,1020 59.225,1021 65.773,1022 0.258,1023 0.613,1024 0.743,1025 0.865,1026 0.903,1027 0.921,1028 5.223,1029 1.798,1030 6.009,1031 5.421,1032 4.654,1033 5.306,1034 1.641,1035 6.788,1036 4.627,1037 6.446,1038 1.655,1039 7.549,1040 4.774,1041 4.205,1042 5.056,1044 7.618,1045 4.166,1046 7.751,1047 1.443,1048 9.189,1049 4.333,1050 6.217,1051 7.524,1052 1.677,1053 10.716,1054 6.16,1055 9.092,1056 1.315,1057 10.888,1058 3.365,1059 6.581,1060 8.115,1062 12.408,1063 6.508,1064 10.464,1065 1.027,1066 12.626,1067 2.967,1068 8.064,1069 10.036,1070 1.719,1071 15.018,1072 7.973,1073 11.859,1074 1,1075 14.391,1076 2.512,1077 8.817,1078 11.064,1080 17.092,1081 8.704,1082 13.274,1083 1,1084 16.178,1085 2.136,1086 10.081,1087 12.745,1088 1.766,1089 19.536,1090 9.948,1091 3.19,1092 0.827,1093 17.982,1094 2.136,1095 11.028,1096 14.009,1098 21.781,1099 10.866,1100 2.911,1101 10.957,1102 19.798,1103 2.108,1104 12.202,1105 15.585,1106 1.817,1107 24.172,1108 12.017,1109 2.686,1110 9.07,1111 21.626,1112 4.6,1113 13.243,1114 16.975,1116 26.493,1117 13.026,1118 2.555,1119 8.215,1120 23.463,1121 3.738,1122 14.385,1123 18.509,1124 1.874,1125 28.873,1126 14.141,1127 2.368,1128 7.322,1129 25.308,1130 3.627,1131 15.473,1132 19.964,1134 31.229,1135 15.196,1136 2.072,1137 6.907,1138 27.16,1139 3.453,1140 16.606,1141 21.485,1142 1.935,1143 33.609,1144 16.299,1145 1.945,1146 5.771,1147 29.019,1148 3.231,1149 17.718,1150 22.973,1152 35.981,1153 17.378,1154 17267,1155 28527,1156 25.255,1157 41,1158 57.859,1159 58.516,1160 57.893,1161 56.32,1162 56.269,1163 78.201,1164 4.076,1165 157.614,1166 55.529,1167 5.518,1168 5.645,1169 6.53,1170 5.205,1171 5.19,1172 7.6,1173 2.117,1174 17.859,1175 5.094,1176 17.422,1177 1.523,1178 1.54,1179 1.524,1180 1.482,1181 1.481,1182 2.058,1183 0.107,1184 4.148,1185 1.461,1186 4.131,1187 4.162,1188 4.099,1189 4.038,1190 7.436,1191 4.048,1192 3.96,1193 3.988,1194 3.902,1195 3.897,1196 7.425,1197 3.892,1198 3.9,1199 3.927,1200 3.836,1201 3.84,1202 6.474,1203 3.836,1204 3.72,1205 3.754,1206 3.667,1207 3.608,1208 4.962,1209 3.614,1210 3.529,1211 3.58,1212 3.445,1213 3.382,1214 4.79,1215 3.392,1216 3.41,1217 3.462,1218 3.317,1219 3.232,1220 4.725,1221 3.25,1222 3.253,1223 3.293,1224 3.209,1225 3.003,1226 4.662,1227 3.042,1228 3.044,1229 3.1,1230 2.925,1231 2.903,1232 4.428,1233 2.896,1234 0.122,1235 0.096,1236 0.177,1237 0.109,1238 0.084,1239 4.639,1240 0.121,1241 3.645,1242 0.028,1243 6.728,1244 0.288,1245 4.159,1246 0.081,1247 3.19,1248 4.6,1249 1.058,1250 10.957,1251 3.094,1252 1.951,1253 1.927,1254 2.054,1255 2.033,1256 1.19,1257 2.038,1258 1.936,1259 1.911,1260 2.046,1261 2.018,1262 1.139,1263 2.028,1264 1.901,1265 1.876,1266 2.017,1267 1.986,1268 1.075,1269 1.998,1270 1.689,1271 1.657,1272 1.834,1273 1.842,1274 0.913,1275 1.829,1276 1.489,1277 1.447,1278 1.588,1279 1.732,1280 0.65,1281 1.696,1282 1.347,1283 1.3,1284 1.558,1285 1.579,1286 0.589,1287 1.575,1288 1.263,1289 1.199,1290 1.489,1291 1.476,1292 0.546,1293 1.487,1294 1.077,1295 1.058,1296 1.255,1297 1.336,1298 0.316,1299 1.294,1300 4.344,1302 5.652,1303 2.398,1304 7.143,1305 4.844,1306 8.714,1307 7.018,1308 10.328,1310 3.734,1314 10.266,1317 2.649,1326 39.498,1327 89.676,1328 212.857,1329 257.951,1330 300.056,1331 313.566,1332 319.566,1333 75.823,1334 7.577,1335 106.91,1336 106.91,1337 23,1338 12.638,1339 4.807,1340 4.087,1341 59.068,1342 151,1343 163,1344 0.174,1345 245.037,1346 430.69,1347 589.651,1348 20543,1350 24.786,1351 0.708,1352 0.552,1353 24.786,1354 19.318,1355 16.902,1356 0.445,1357 0.289,1358 10.889,1359 16.452,1360 10.552,1361 8.864,1362 16.902,1363 10.993,1364 15.225,1365 0.293,1366 0.155,1367 15.225,1368 8.054,1369 12.32,1370 0.187,1371 0.079,1372 12.32,1373 5.229,1374 10.108,1375 0.12,1376 0.042,1377 10.108,1378 3.545,1379 8.113,1380 0.08,1381 0.023,1382 8.113,1383 2.279,1384 0.273,1385 104.868,1386 0.199,1387 32.252,1388 0.477,1389 180,1390 535.577,1391 194.192,1392 530.197,1393 720.73,1394 492,1395 208,1396 531.272,1397 222.611,1398 544.224,1399 785.86,1400 510,1401 4.793}
{0 CHEMBL1326371,1 1.689,2 13.162,3 4.063,4 16.51,5 143.581,6 7.553,7 0.143,8 4.363,9 4.479,10 3.943,11 3.878,12 5.39,13 3.856,14 4.975,15 5.155,16 4.364,17 4.321,18 6.004,19 4.278,20 5.283,21 5.504,22 4.504,23 4.525,24 6.263,25 4.444,26 5.367,27 5.581,28 4.631,29 4.584,30 6.535,31 4.497,32 5.389,33 5.589,34 4.623,35 4.601,36 6.554,37 4.517,38 5.403,39 5.604,40 4.509,41 4.575,42 6.507,43 4.489,44 5.475,45 5.713,46 4.358,47 4.549,48 6.604,49 4.416,50 5.405,51 5.692,52 4.203,53 4.425,54 6.306,55 4.247,56 0.079,57 1.115,58 14.86,59 6.772,60 12.978,61 8.725,62 0.444,63 1.906,64 31.707,65 11.261,66 54.382,67 15.614,68 0.667,69 2.456,70 46.388,71 16.1,72 57.227,73 21.874,74 1.048,75 2.611,76 55.265,77 18.565,78 132.446,79 23.806,80 1.104,81 2.823,82 61.47,83 19.195,84 139.14,85 23.136,86 0.955,87 2.774,88 56.102,89 18.98,90 109.924,91 23.42,92 1.45,93 2.708,94 60.698,95 20.046,96 209.518,97 26.156,98 0.998,99 2.456,100 59.457,101 19.024,102 124.249,103 26.47,104 54,105 64,106 0.266,107 0.569,108 0.783,109 0.871,110 0.889,111 0.889,112 3.643,113 0.977,114 -3.88,115 -3.84,116 -3.64,120 38.6,121 1,122 6,123 2,125 1,126 3,128 3,137 1,138 1,143 1,144 1,145 4,158 1,159 1,160 1,168 1,172 1,174 8,175 1,177 8,180 2,182 3,185 9,188 3,189 5,190 2,194 3,197 2,198 1,200 4,201 5,204 2,206 3,209 4,210 1,213 1,214 7,217 1,219 1,222 2,223 2,226 2,227 10,228 1,232 2,235 3,239 2,240 4,241 1,243 1,247 4,251 1,252 3,255 2,257 1,260 1,263 1,264 5,267 1,269 1,271 3,274 2543,275 24.834,276 24.834,277 24.834,278 24.834,279 24.834,280 23.543,281 35.019,282 13.856,283 25.459,284 20.622,285 20.622,286 20.622,287 20.622,288 20.622,289 18.313,290 52.382,291 6.436,292 21.602,293 4.441,294 2.513,295 1.154,296 0.593,297 0.479,298 0.479,299 4.343,307 1,308 1092,309 3.937,310 56.838,312 202.432,313 443.923,317 174.86,320 2.013,321 55.472,324 0.75,325 0.67,326 0.83,327 0.9,328 1,329 0.83,330 1,331 0.85,332 81.5,333 487,334 4.723,335 3.916,336 7.166,337 4.386,338 3.419,339 4.402,340 1.803,341 12.571,342 3.317,343 4.303,344 3.816,345 6.653,346 4.047,347 3.093,348 3.728,349 1.437,350 10.61,351 2.998,352 4.126,353 3.54,354 6.422,355 3.99,356 3.018,357 3.247,358 0.86,359 9.857,360 2.908,361 3.966,362 3.304,363 6.313,364 3.809,365 2.862,366 3.13,367 0.8,368 9.407,369 2.735,370 3.906,371 3.178,372 6.237,373 3.769,374 2.795,375 2.971,376 0.8,377 9.309,378 2.655,379 3.706,380 3.041,381 5.906,382 3.393,383 2.427,384 2.925,385 0.566,386 8.071,387 2.335,388 3.411,389 2.821,390 5.408,391 3.078,392 2.118,393 2.595,394 0.076,395 6.498,396 2.021,397 3.289,398 2.617,399 5.176,400 3.045,401 2.103,402 2.348,404 6.221,405 1.98,406 3,407 2.383,408 5.054,409 2.842,410 1.885,411 2.026,413 5.781,414 1.78,415 2.876,416 2.075,417 4.759,418 2.637,419 1.683,420 1.874,422 4.83,423 1.592,424 2.799,425 2.016,426 4.715,427 2.513,428 1.58,429 1.762,431 4.589,432 1.462,433 2.684,434 1.816,435 4.354,436 2.411,437 1.433,438 1.675,440 3.998,441 1.397,442 2.441,443 1.536,444 4.279,445 2.333,446 1.332,447 1.438,449 3.456,450 1.312,451 2.24,452 1.521,453 3.819,454 2.033,455 1.113,456 1.19,458 2.85,459 1.011,460 1.965,461 1.316,462 3.466,463 1.639,464 0.648,465 0.679,467 1.605,468 0.64,469 17.552,470 0.474,471 1.169,472 0.032,473 38.25,474 1.034,475 13,476 0.351,477 25.25,478 0.682,479 45.711,480 1.235,481 41.848,482 0.598,483 32.785,484 0.886,485 6.688,486 0.181,487 11.073,488 0.299,489 0.178,491 0.467,494 1,496 0.72,497 1.286,498 0.693,499 1.049,500 0.561,501 0.997,502 0.731,503 1.129,504 0.742,505 0.954,506 0.423,507 0.943,508 0.736,509 0.995,510 0.831,511 0.942,512 0.616,513 0.954,514 0.761,515 1.037,516 0.954,517 1.021,518 0.736,519 0.93,520 1.194,521 1.19,522 1.367,523 1.236,524 1.023,525 1.038,526 1.325,527 1.258,528 1.223,529 1.198,530 1.281,531 1.17,532 1.095,533 1.053,534 1.064,535 0.996,536 1.16,537 1.108,538 0.694,539 0.943,540 0.826,541 0.946,542 0.707,543 1.004,544 8,545 0.269,546 4.722,547 3.597,548 3.141,549 2.299,550 1.523,551 0.807,552 0.461,553 0.334,554 21419,555 53040,556 2.113,557 47.1,558 7,559 13,560 1,562 2,564 10,567 1.782,568 1.93,569 3.602,570 0.189,575 118.203,576 1.689,577 3.616,578 4.975,579 5.536,580 5.651,581 5.651,582 3.129,583 4.939,584 5.178,585 3.825,586 2547.53,587 9.122,588 39780.6,593 429.05,594 1.5,595 5.12,596 0.19,597 0.008,598 0.077,599 0.054,600 0.044,601 0.032,602 0.024,603 0.016,604 0.011,605 0.01,606 0.466,607 0.33,608 0.75,609 0.823,610 201.325,611 -0.048,612 -0.161,613 0.042,614 -0.033,615 -0.011,616 0.017,617 0.022,618 -0.085,619 0.067,620 -0.007,621 0.13,622 0.035,623 0.04,624 0.024,625 0.059,626 0.01,627 0.044,628 0.027,629 0.177,630 -0.017,631 0.105,632 0.028,633 0.146,634 0.062,635 -0.026,636 0.002,637 -0.137,638 -0.084,639 0.005,640 -0.05,641 -0.122,642 -0.096,643 -0.21,644 -0.175,645 -0.111,646 -0.196,647 0.03,648 -0.026,649 -0.127,650 -0.058,651 0.041,652 -0.136,653 0.097,654 -0.017,655 0.108,656 -0.017,657 0.066,658 -0.002,659 2.982,660 7.683,661 0.703,662 41.87,663 1.008,664 1.133,665 2.648,666 7.01,667 0.655,668 3.761,669 4.174,670 4.511,671 4.86,672 5.118,673 5.303,674 5.464,675 5.572,676 5.666,677 5.749,678 7.61,679 0.62,680 528.71,681 3.761,682 5.361,683 6.267,684 7.198,685 8.12,686 9.055,687 9.982,688 10.918,689 11.849,690 12.786,691 5.7,697 2,698 2,709 1,714 5,716 6,721 1,732 2,735 1,737 1,738 70,739 10,740 1,741 42,743 75,744 27,745 6,746 5,747 1,748 4,752 6,753 8,757 1,759 1,763 9,764 2,766 9,768 11,769 16,770 2,772 4,778 2,779 1,780 1,782 4,787 1,789 33,790 9,791 2,792 10,793 1,797 4,803 0.667,804 4,820 1,822 2,823 4,827 1,840 1,846 1,853 1,855 4,857 1,859 2,861 1,862 37,868 1,869 9,871 1,872 1,874 5,875 3,885 1,886 5.7,888 1,889 2,891 1,893 19.167,894 12.943,895 7.861,896 4.597,898 1.727,899 1.198,900 0.967,901 6.648,902 10.447,903 3.912,904 4.46,905 4.989,906 5.516,907 6.008,908 6.393,909 6.763,910 7.03,911 7.302,912 7.434,913 0.889,914 67,915 13.985,917 6.453,918 7.847,919 26.807,921 24.079,924 2.347,925 86.833,929 364.904,930 137.525,931 27.384,933 103.973,934 14.96,935 45.192,936 92.333,937 468.877,938 42.344,939 19.708,940 51.707,941 9.476,942 99.017,943 43.498,944 27.016,945 353.133,946 45.192,947 364.904,948 119.717,949 118.933,950 45.192,952 262.153,953 221.684,956 51.485,957 68.232,959 45.192,960 379.864,961 131.357,962 137.525,965 364.904,966 54.101,967 47.605,968 18.011,969 164.125,970 364.904,971 146.317,972 137.525,973 0.603,974 0.362,975 0.207,976 0.112,977 35,978 17,979 0.067,980 5,981 3,982 1.192,983 4.547,984 394.882,985 0.231,986 25,987 190.75,990 1,993 25.386,994 9.69,995 4.528,997 146.317,998 1.18,1003 0.493,1005 60.694,1006 648.746,1007 49,1013 24.69,1014 5.808,1015 1.384,1017 -1.588,1020 70.56,1021 79.319,1022 0.275,1023 0.59,1024 0.812,1025 0.903,1026 0.922,1027 0.922,1028 5.25,1029 2.103,1030 6.301,1031 6.498,1032 4.86,1033 5.147,1034 2.682,1035 7.213,1036 4.775,1037 6.457,1038 1.885,1039 7.928,1040 6.221,1041 4.691,1042 5.139,1043 1.577,1044 8.31,1045 4.569,1046 7.79,1047 1.683,1048 9.652,1049 5.781,1050 6.569,1051 7.228,1052 3.259,1053 11.446,1054 6.413,1055 9.149,1056 1.58,1057 11.43,1058 4.83,1059 7.163,1060 8.012,1061 2.75,1062 13.328,1063 6.974,1064 10.541,1065 1.433,1066 13.242,1067 4.589,1068 8.576,1069 9.671,1070 4.115,1071 16.018,1072 8.354,1073 11.955,1074 1.332,1075 15.077,1076 3.998,1077 9.497,1078 10.811,1079 3.988,1080 18.238,1081 9.244,1082 13.388,1083 1.113,1084 16.929,1085 3.456,1086 10.747,1087 12.332,1088 5.093,1089 20.783,1090 10.464,1091 3.419,1092 0.648,1093 18.796,1094 2.85,1095 11.812,1096 13.639,1097 5.22,1098 23.156,1099 11.499,1100 3.093,1101 12.571,1102 20.673,1103 1.605,1104 13.008,1105 15.118,1106 6.14,1107 25.66,1108 12.666,1109 3.018,1110 10.61,1111 22.559,1112 4.402,1113 14.138,1114 16.507,1115 6.434,1116 28.105,1117 13.766,1118 2.862,1119 9.857,1120 24.453,1121 3.728,1122 15.321,1123 17.975,1124 7.232,1125 30.605,1126 14.92,1127 2.795,1128 9.407,1129 26.354,1130 3.247,1131 16.482,1132 19.406,1133 7.634,1134 33.086,1135 16.053,1136 2.427,1137 9.309,1138 28.261,1139 3.13,1140 17.666,1141 20.873,1142 8.354,1143 35.591,1144 17.209,1145 2.118,1146 8.071,1147 30.173,1148 2.971,1149 18.845,1150 22.326,1151 8.825,1152 38.091,1153 18.359,1154 19610,1155 31187,1156 27.687,1157 45.847,1158 66.034,1159 69.036,1160 69.208,1161 65.053,1162 64.937,1163 74.266,1164 12.684,1165 203.552,1166 62.047,1167 5.723,1168 5.916,1169 6.666,1170 5.454,1171 5.419,1172 7.402,1173 3.24,1174 20.316,1175 5.317,1176 21.347,1177 1.572,1178 1.644,1179 1.648,1180 1.549,1181 1.546,1182 1.768,1183 0.302,1184 4.846,1185 1.477,1186 4.094,1187 4.127,1188 4.07,1189 3.982,1190 8.201,1191 3.995,1192 4.009,1193 4.053,1194 3.98,1195 3.914,1196 7.48,1197 3.905,1198 3.862,1199 3.923,1200 3.833,1201 3.722,1202 7.422,1203 3.719,1204 3.767,1205 3.811,1206 3.719,1207 3.645,1208 6.351,1209 3.638,1210 3.594,1211 3.599,1212 3.607,1213 3.447,1214 4.844,1215 3.464,1216 3.34,1217 3.405,1218 3.476,1219 3.247,1220 4.78,1221 3.181,1222 3.269,1223 3.356,1224 3.124,1225 3.096,1226 4.412,1227 3.075,1228 3.26,1229 3.316,1230 3.079,1231 2.979,1232 4.368,1233 2.996,1234 0.112,1235 0.093,1236 0.171,1237 0.104,1238 0.081,1239 4.723,1240 0.105,1241 3.916,1242 0.043,1243 7.166,1244 0.299,1245 4.386,1246 0.079,1247 3.419,1248 4.402,1249 1.803,1250 12.571,1251 3.317,1252 1.968,1253 1.952,1254 2.036,1255 2.1,1256 1.403,1257 2.082,1258 1.803,1259 1.75,1260 1.98,1261 1.981,1262 1.33,1263 1.978,1264 1.745,1265 1.689,1266 1.928,1267 1.906,1268 1.211,1269 1.926,1270 1.546,1271 1.507,1272 1.783,1273 1.708,1274 1.16,1275 1.73,1276 1.516,1277 1.483,1278 1.657,1279 1.69,1280 0.903,1281 1.673,1282 1.303,1283 1.224,1284 1.609,1285 1.525,1286 0.825,1287 1.567,1288 1.253,1289 1.189,1290 1.538,1291 1.505,1292 0.825,1293 1.521,1294 1.208,1295 1.148,1296 1.513,1297 1.471,1298 0.803,1299 1.492,1300 4.443,1301 1.946,1302 5.832,1303 4.111,1304 7.42,1305 6.107,1306 9.103,1307 8.017,1308 10.839,1310 3.56,1312 15.683,1314 9.558,1315 8.606,1317 3.625,1318 5.753,1320 2.138,1321 5.945,1326 43.417,1327 118.203,1328 253.149,1329 348.256,1330 387.54,1331 395.54,1332 395.54,1333 91.511,1334 8.72,1335 87.04,1336 119.13,1337 31,1338 13.285,1339 3.459,1340 3,1341 51.058,1342 167,1343 183,1344 0.148,1345 260.403,1346 475.86,1347 627.143,1348 80987,1349 1.4,1350 26.007,1351 0.703,1352 0.595,1353 25.637,1354 22.022,1355 17.761,1356 0.423,1357 0.326,1358 13.099,1359 16.715,1360 12.8,1361 10.445,1362 17.639,1363 13.679,1364 16.97,1365 0.265,1366 0.181,1367 16.791,1368 11.558,1369 14.551,1370 0.162,1371 0.099,1372 14.532,1373 8.888,1374 13.09,1375 0.102,1376 0.056,1377 13.033,1378 7.198,1379 10.337,1380 0.062,1381 0.029,1382 10.109,1383 4.839,1384 0.231,1385 115.226,1386 0.19,1387 33.362,1388 0.408,1389 212,1390 631.596,1391 249.184,1392 595.34,1393 798.12,1394 554,1395 263,1396 568.032,1397 297.737,1398 572.797,1399 858.18,1400 539,1401 4.769}
{0 CHEMBL1326874,1 1.699,2 16.342,3 3.735,4 13.946,5 148.774,6 8.083,7 0.293,8 4.323,9 4.419,10 4.089,11 3.908,12 5.394,13 3.853,14 4.9,15 5.057,16 4.468,17 4.314,18 6.116,19 4.247,20 5.155,21 5.322,22 4.519,23 4.498,24 6.311,25 4.393,26 5.322,27 5.535,28 4.435,29 4.477,30 6.531,31 4.355,32 5.185,33 5.385,34 4.361,35 4.348,36 6.431,37 4.243,38 5.038,39 5.246,40 4.228,41 4.238,42 6.329,43 4.137,44 4.931,45 5.117,46 4.199,47 4.15,48 6.237,49 4.07,50 4.913,51 5.114,52 4.19,53 4.129,54 6.073,55 4.032,56 0.12,57 1.01,58 16.31,59 7.189,60 21.512,61 8.285,62 0.683,63 1.663,64 31.206,65 11.876,66 69.364,67 14.252,68 0.535,69 2.07,70 45.425,71 17.206,72 63.759,73 19.668,74 1.018,75 2.223,76 58.312,77 19.318,78 186.045,79 22.511,80 1.079,81 1.958,82 49.208,83 16.028,84 150.375,85 19.238,86 0.829,87 1.715,88 40.004,89 14.12,90 134.225,91 17.44,92 0.67,93 1.545,94 34.304,95 12.24,96 121.867,97 14.665,98 0.558,99 1.541,100 35.762,101 12.152,102 90.9,103 14.325,104 66,105 60,106 0.266,107 0.57,108 0.72,109 0.797,110 0.803,111 0.803,112 3.667,113 1.064,114 -3.48,115 -3.46,116 -3.3,120 39.1,121 3,124 1,126 6,136 1,139 1,143 8,144 3,145 1,159 2,160 1,174 15,176 5,177 3,180 1,182 1,185 21,188 1,189 11,192 1,194 2,197 16,200 1,201 10,206 1,209 10,213 3,214 10,217 2,219 2,222 6,226 3,227 10,230 3,232 1,235 4,239 2,240 10,245 1,247 2,252 10,257 2,260 6,263 4,264 10,267 1,269 2,271 4,274 2900,275 24.658,276 24.658,277 24.658,278 24.658,279 24.658,280 22.513,281 27.691,282 14.176,283 25.321,284 20.179,285 20.179,286 20.179,287 20.179,288 20.179,289 16.583,290 28.167,291 6.665,292 21.177,293 4.409,294 2.468,295 1.508,296 1.015,297 0.975,298 0.975,299 4.352,307 1,308 1323,309 4.848,312 125.44,313 440.702,320 2.553,321 62.048,324 0.75,325 0.67,326 0.83,327 0.9,328 0.5,329 0.67,330 1,331 0.76,332 83.5,333 621,334 4.934,335 4.844,336 7.668,337 4.437,338 3.514,339 4.763,340 4.341,341 13.624,342 3.314,343 4.451,344 4.726,345 7.111,346 4.314,347 3.314,348 3.887,349 1.191,350 11.657,351 3.218,352 4.385,353 3.599,354 6.647,355 4.08,356 3.146,357 3.687,358 1.058,359 10.556,360 2.928,361 4.136,362 3.553,363 6.054,364 3.784,365 2.78,366 3.66,367 0.86,368 8.662,369 2.785,370 3.856,371 3.537,372 5.575,373 3.496,374 2.506,375 3.181,376 0.54,377 7.428,378 2.478,379 3.439,380 3.281,381 5.536,382 3.135,383 2.198,384 2.695,385 0.4,386 6.482,387 2.056,388 3.403,389 2.707,390 5.191,391 2.982,392 2.011,393 2.576,395 6.079,396 1.93,397 3.097,398 2.447,399 4.665,400 2.77,401 1.811,402 2.136,404 4.71,405 1.718,406 3.045,407 2.21,408 4.551,409 2.628,410 1.66,411 2.111,413 4.555,414 1.604,415 2.837,416 2.008,417 4.454,418 2.523,419 1.562,420 1.885,422 4.432,423 1.464,424 2.723,425 1.948,426 4.096,427 2.304,428 1.374,429 1.748,431 3.51,432 1.262,433 2.583,434 1.65,435 3.582,436 2.147,437 1.196,438 1.6,440 2.7,441 1.13,442 2.5,443 1.494,444 3.489,445 2,446 1,447 1.5,449 2.444,450 1,451 2.331,452 1.367,453 3.442,454 1.952,455 1,456 1.191,458 2.275,459 0.946,460 2.236,461 1.321,462 3.414,463 1.934,464 1,465 1.164,467 2.156,468 0.923,469 18.367,470 0.483,471 1.295,472 0.034,473 45,474 1.184,475 21,476 0.553,477 24,478 0.632,479 38.565,480 1.015,481 42.233,482 0.612,483 40.754,484 1.072,485 8.48,486 0.223,487 9.483,488 0.25,489 0.172,490 0.073,491 0.261,496 0.579,497 1.366,498 0.781,499 1.173,500 0.582,501 0.996,502 0.7,503 0.937,504 0.764,505 0.829,506 0.544,507 0.823,508 0.87,509 1.169,510 1.148,511 1.245,512 0.786,513 1.132,514 1.169,515 0.997,516 1.092,517 1.02,518 1.332,519 0.989,520 1.049,521 1.061,522 1.028,523 1.036,524 1.293,525 1.024,526 0.764,527 0.965,528 0.884,529 0.951,530 0.818,531 0.961,532 0.998,533 1.101,534 0.895,535 1.006,536 0.95,537 1.02,538 1.178,539 1.034,540 0.955,541 0.933,542 1.167,543 0.917,544 10,545 0.319,546 6,547 3.951,548 1.801,549 1.573,550 0.922,551 0.667,552 0.439,553 0.414,554 25178,555 71814,556 1.995,557 44.9,558 9,559 21,562 1,567 1.782,568 1.824,569 3.933,570 -0.322,575 117.261,576 1.699,577 3.641,578 4.601,579 5.093,580 5.133,581 5.133,582 3.382,583 4.702,584 5.22,585 4.179,586 2937.65,587 9.164,588 51940.2,593 421.488,594 1.714,595 5.144,596 0.244,597 0.009,598 0.1,599 0.064,600 0.033,601 0.031,602 0.019,603 0.015,604 0.01,605 0.01,606 0.534,607 0.33,608 0.75,609 0.749,610 215.813,611 0.041,612 -0.172,613 0.16,614 -0.058,615 -0.08,616 0.007,617 0.173,618 0.184,619 0.165,620 0.167,621 0.135,622 0.138,623 -0.032,624 -0.096,625 -0.095,626 -0.153,627 0.003,628 -0.127,629 -0.1,630 -0.034,631 -0.047,632 -0.009,633 -0.095,635 0.053,636 -0.088,637 -0.031,638 -0.055,639 -0.087,640 -0.052,641 0.171,642 0.016,643 0.038,644 -0.007,645 0.167,646 0.021,647 0.038,648 -0.105,649 0.005,650 -0.071,651 0.099,652 -0.059,653 -0.137,654 -0.025,655 0.048,656 0.052,657 -0.102,658 0.053,659 4.658,660 5.894,661 0.605,662 49.56,663 1.011,664 1.122,665 2.25,666 5.065,667 0.677,668 3.738,669 4.111,670 4.344,671 4.522,672 4.682,673 4.71,674 4.812,675 4.828,676 4.905,677 5.004,678 9.516,679 0.639,680 557.75,681 3.738,682 5.313,683 6.163,684 7.054,685 7.921,686 8.811,687 9.685,688 10.575,689 11.452,690 12.343,691 4.3,694 1,698 2,709 8,714 4,716 12,723 1,738 69,739 18,740 2,741 41,743 72,744 27,745 12,746 4,747 8,748 4,752 4,753 4,759 3,760 1,768 17,769 10,772 6,776 1,778 5,780 1,782 4,789 31,790 9,791 1,792 11,793 2,797 3,800 1,803 1,804 6,822 1,823 3,845 2,852 1,854 1,855 4,857 2,859 3,862 38,866 1,869 6,871 1,872 1,873 1,875 2,876 1,886 8.7,889 5,890 1,893 20.833,894 13.233,895 8.111,896 4.058,898 2.785,899 1.345,900 0.957,901 8.68,902 10.864,903 3.989,904 4.564,905 5.04,906 5.47,907 5.931,908 6.132,909 6.458,910 6.569,911 6.769,912 6.904,913 0.909,914 62,915 14.506,917 6.602,918 8.009,919 26.729,921 22.334,924 2.509,925 95.333,929 353.133,930 192.534,931 22.654,933 130.748,935 38.027,936 154.507,937 483.881,938 22.654,939 26.476,940 38.743,941 91.094,942 141.708,943 12.626,944 3.07,945 385.353,947 353.133,948 177.16,949 130.748,950 38.027,952 353.133,953 119.748,954 11,956 66.737,957 99.397,958 16.834,959 32.22,960 353.133,961 153.401,962 192.534,964 5.807,965 353.133,966 74.964,967 116.405,968 18.011,969 130.748,970 353.133,971 153.401,972 192.534,973 0.6,974 0.347,975 0.169,976 0.086,977 28,978 14,979 0.111,980 8,982 1,983 4.758,984 357.265,986 23,987 181.911,989 1,992 1,993 28.374,994 11.624,995 6.693,997 153.401,998 13.654,1003 2.192,1005 18.011,1006 699.068,1007 53,1011 -3.741,1013 63.76,1015 1.691,1017 -0.982,1020 69.792,1021 77.404,1022 0.278,1023 0.596,1024 0.753,1025 0.834,1026 0.84,1027 0.84,1028 5.273,1029 1.811,1030 6.217,1031 6.079,1032 4.796,1033 5.252,1034 3.779,1035 7.102,1036 4.709,1037 6.512,1038 1.66,1039 7.844,1040 4.71,1041 4.691,1042 5.352,1043 2.911,1044 8.431,1045 4.572,1046 7.868,1047 1.562,1048 9.593,1049 4.555,1050 6.535,1051 7.485,1052 6.43,1053 11.462,1054 6.363,1055 9.265,1056 1.374,1057 11.416,1058 4.432,1059 7.231,1060 8.396,1061 6.254,1062 13.603,1063 7.015,1064 10.7,1065 1.196,1066 13.287,1067 3.51,1068 8.639,1069 10.11,1070 9.286,1071 16.278,1072 8.375,1073 12.162,1074 1,1075 15.191,1076 2.7,1077 9.651,1078 11.362,1079 9.45,1080 18.698,1081 9.335,1082 13.644,1083 1,1084 17.119,1085 2.444,1086 10.922,1087 12.945,1088 12.162,1089 21.29,1090 10.557,1091 3.514,1092 1,1093 19.065,1094 2.275,1095 12.059,1096 14.349,1097 12.564,1098 23.81,1099 11.639,1100 3.314,1101 13.624,1102 21.025,1103 2.156,1104 13.289,1105 15.894,1106 15.045,1107 26.389,1108 12.818,1109 3.146,1110 11.657,1111 22.996,1112 4.763,1113 14.476,1114 17.371,1115 15.63,1116 28.949,1117 13.95,1118 2.78,1119 10.556,1120 24.976,1121 3.887,1122 15.697,1123 18.91,1124 17.934,1125 31.531,1126 15.118,1127 2.506,1128 8.662,1129 26.963,1130 3.687,1131 16.906,1132 20.424,1133 18.664,1134 34.111,1135 16.272,1136 2.198,1137 7.428,1138 28.956,1139 3.66,1140 18.128,1141 21.965,1142 20.828,1143 36.7,1144 17.441,1145 2.011,1146 6.482,1147 30.954,1148 3.181,1149 19.348,1150 23.499,1151 21.676,1152 39.29,1153 18.606,1154 24145,1155 41170,1156 26.235,1157 46.699,1158 63.352,1159 69.427,1160 64.069,1161 62.529,1162 62.498,1163 78.293,1164 16.779,1165 188.189,1166 59.851,1167 5.934,1168 6.844,1169 7.47,1170 5.562,1171 5.514,1172 7.763,1173 8.339,1174 21.624,1175 5.314,1176 24.257,1177 1.545,1178 1.693,1179 1.563,1180 1.525,1181 1.524,1182 1.91,1183 0.409,1184 4.59,1185 1.46,1186 4.106,1187 4.093,1188 4.742,1189 4.082,1190 7.715,1191 4.003,1192 3.989,1193 4.01,1194 4.093,1195 3.944,1196 7.446,1197 3.929,1198 3.817,1199 3.849,1200 3.86,1201 3.7,1202 7.429,1203 3.678,1204 3.771,1205 3.801,1206 3.783,1207 3.651,1208 7.409,1209 3.626,1210 3.6,1211 3.656,1212 3.524,1213 3.464,1214 6.999,1215 3.455,1216 3.526,1217 3.538,1218 3.448,1219 3.36,1220 4.766,1221 3.339,1222 3.409,1223 3.422,1224 3.38,1225 3.259,1226 4.668,1227 3.229,1228 3.138,1229 3.206,1230 3.087,1231 2.957,1232 4.603,1233 2.971,1234 0.12,1235 0.118,1236 0.187,1237 0.108,1238 0.086,1239 4.934,1240 0.116,1241 4.844,1242 0.106,1243 7.668,1244 0.332,1245 4.437,1246 0.081,1247 3.514,1248 4.763,1249 4.341,1250 13.624,1251 3.314,1252 1.979,1253 1.988,1254 2.095,1255 2.066,1256 1.29,1257 2.095,1258 1.971,1259 1.947,1260 2,1261 2.043,1262 1.28,1263 2.062,1264 1.713,1265 1.679,1266 1.892,1267 1.929,1268 1.118,1269 1.925,1270 1.659,1271 1.618,1272 1.861,1273 1.842,1274 1.068,1275 1.84,1276 1.586,1277 1.524,1278 1.803,1279 1.77,1280 0.992,1281 1.799,1282 1.365,1283 1.364,1284 1.513,1285 1.569,1286 0.825,1287 1.554,1288 1.317,1289 1.326,1290 1.452,1291 1.461,1292 0.595,1293 1.483,1294 1.159,1295 1.144,1296 1.417,1297 1.383,1298 0.552,1299 1.429,1300 4.419,1302 5.778,1303 2.398,1304 7.321,1305 4.844,1306 8.939,1307 6.986,1308 10.598,1310 6.364,1315 1.2,1317 2.668,1318 5.219,1319 0.865,1321 2.43,1322 0.013,1326 44.102,1327 117.261,1328 251.21,1329 317.449,1330 351.449,1331 354.204,1332 354.204,1333 123.196,1334 8.079,1335 114.78,1336 151.4,1337 23,1338 12.874,1339 4.248,1340 3.7,1341 68.083,1342 222,1343 193,1344 0.147,1345 277.538,1346 500.78,1347 668.953,1348 44101,1350 27.501,1351 0.724,1352 0.611,1353 28.105,1354 23.232,1355 17.963,1356 0.438,1357 0.355,1358 12.304,1359 16.029,1360 11.714,1361 9.706,1362 19.16,1363 14.544,1364 17.504,1365 0.292,1366 0.216,1367 19.524,1368 12.937,1369 13.958,1370 0.184,1371 0.119,1372 16.043,1373 9.075,1374 10.797,1375 0.119,1376 0.07,1377 12.755,1378 6.36,1379 8.205,1380 0.077,1381 0.039,1382 9.916,1383 4.165,1384 0.241,1385 125.026,1386 0.195,1387 35.21,1388 0.379,1389 202,1390 651.757,1391 289.889,1392 657.894,1393 873.27,1394 606,1395 237,1396 574.533,1397 327.826,1398 634.669,1399 931.19,1400 592,1401 5.615}
{0 CHEMBL1327706,1 2.02,2 11.625,3 3.755,4 14.102,5 89.135,6 10.395,7 0.654,8 3.697,9 3.774,10 3.578,11 3.333,12 4.981,13 3.319,14 4.153,15 4.253,16 3.957,17 3.645,18 5.503,19 3.629,20 4.329,21 4.474,22 3.939,23 3.634,24 5.727,25 3.607,26 4.207,27 4.354,28 3.921,29 3.546,30 5.587,31 3.498,32 4.127,33 4.277,34 3.715,35 3.485,36 5.459,37 3.402,38 4.037,39 4.197,40 3.622,41 3.314,42 5.405,43 3.265,44 3.915,45 4.081,46 3.451,47 3.202,48 5.29,49 3.162,50 3.83,51 3.965,52 3.691,53 3.238,54 5.446,55 3.172,56 0.151,57 0.565,58 2.815,59 2.891,60 11.929,61 2.654,62 0.344,63 0.888,64 7.974,65 4.854,66 22.433,67 4.354,68 0.714,69 0.992,70 14.692,71 6.166,72 68.703,73 5.21,74 0.559,75 0.849,76 14.05,77 5.749,78 55.529,79 5.069,80 0.503,81 0.756,82 18.175,83 6.076,84 41.012,85 5.653,86 0.422,87 0.695,88 12.684,89 5.05,90 46.28,91 4.606,92 0.438,93 0.665,94 11.714,95 4.381,96 50.681,97 3.685,98 0.451,99 0.61,100 12.21,101 4.11,102 54.554,103 3.518,104 10,105 35,106 0.365,107 0.691,108 0.836,109 0.916,110 0.916,111 0.916,112 3.227,113 0.937,114 -3.85,115 -3.8,116 -3.61,120 45.7,126 1,143 6,145 3,146 1,147 2,152 1,159 1,163 1,174 3,177 4,180 2,182 1,185 3,188 2,189 5,192 1,197 2,200 1,201 3,209 2,213 1,214 3,217 1,219 2,222 1,227 3,232 4,235 1,239 1,240 2,245 1,247 1,251 1,252 5,260 3,264 2,274 816,275 16.154,276 16.154,277 16.154,278 16.154,279 16.154,280 13.888,281 12.798,282 9.703,283 16.789,284 12.848,285 12.848,286 12.848,287 12.848,288 12.848,289 9.508,290 15.314,291 4.658,292 13.972,293 3.109,294 1.3,295 0.5,296 0.057,297 0.057,298 0.057,299 3.908,303 1,305 1,306 1,307 1,308 598,309 3,312 72.477,313 176.295,320 1.823,321 31.935,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.333,333 279,334 4.299,335 3.626,336 6.183,337 3.861,338 2.928,339 3.957,340 2.03,341 9.234,342 2.746,343 4.231,344 3.278,345 6.059,346 3.77,347 2.856,348 3.879,349 0.892,350 8.709,351 2.577,352 3.832,353 2.92,354 5.448,355 3.449,356 2.503,357 3.289,358 0.141,359 7.242,360 2.37,361 3.545,362 2.744,363 4.972,364 3.084,365 2.17,366 2.829,368 5.873,369 1.957,370 3.433,371 2.393,372 4.831,373 2.98,374 2.045,375 2.718,377 5.495,378 1.871,379 3.075,380 2.197,381 4.292,382 2.606,383 1.657,384 2.286,386 4.079,387 1.553,388 2.845,389 1.73,390 4.154,391 2.354,392 1.461,393 1.975,395 3.725,396 1.235,397 2.538,398 1.369,399 3.487,400 2.029,401 1.082,402 1.551,404 2.607,405 1.016,406 2.5,407 1.144,408 3.268,409 1.957,410 1,411 1.5,413 2.136,414 0.954,415 2.17,416 1,417 3.247,418 1.603,419 0.722,420 1.009,422 1.702,423 0.617,424 1.941,425 0.698,426 3.191,427 1.473,428 0.666,429 0.832,431 1.591,432 0.528,433 1.203,434 0.671,435 2.651,436 0.832,437 -0.034,438 -0.039,440 -0.079,441 -0.027,442 1.011,443 0.33,444 2.359,445 0.582,446 -0.393,447 -0.504,449 -1.001,450 -0.338,451 0.796,452 0.246,453 2.274,454 0.299,455 -0.515,456 -0.621,458 -1.242,459 -0.38,460 0.725,461 -0.278,462 2.101,463 0.246,464 -0.708,465 -0.966,467 -1.626,468 -0.663,469 11.7,470 0.488,471 0.558,472 0.023,473 34.25,474 1.427,475 18.5,476 0.771,477 15.75,478 0.656,479 16.045,480 0.669,481 24.9,482 0.711,483 23.087,484 0.962,485 6.898,486 0.287,487 4.716,488 0.197,489 0.114,491 0.299,494 1,496 0.689,497 1.011,498 0.574,499 0.813,500 0.568,501 0.76,502 0.836,503 1.133,504 0.783,505 1.053,506 0.653,507 0.946,508 1.181,509 0.951,510 1.023,511 0.879,512 1.205,513 0.956,514 1.007,515 1.019,516 0.981,517 1.042,518 0.884,519 1.008,520 0.706,521 0.803,522 1.406,523 1.322,524 0.721,525 1.155,526 0.87,527 0.99,528 0.971,529 1.176,530 0.953,531 1.085,532 1.395,533 0.958,534 1.11,535 0.864,536 1.514,537 0.874,538 0.701,539 0.72,540 0.807,541 0.879,542 0.761,543 0.852,544 5,545 0.1,546 2.444,547 1.347,548 0.974,549 0.646,550 0.32,551 0.302,552 0.105,553 0.167,554 7183,555 27621,556 2.064,557 31.4,559 8,560 1,561 1,562 1,567 1.662,568 1.946,569 3.498,570 -0.219,572 1,575 70.716,576 2.02,577 3.829,578 4.629,579 5.072,580 5.072,581 5.072,582 2.944,583 4.137,584 4.559,585 3.66,586 1010.18,587 7.83,588 12495.9,589 1,590 1,591 1,592 1,593 179.525,594 1.347,595 4.522,596 0.192,597 0.007,598 0.07,599 0.042,600 0.035,601 0.026,602 0.015,603 0.015,604 0.005,605 0.01,606 0.416,607 0.33,608 1,609 0.566,610 116.937,611 -0.076,612 -0.097,613 0.014,614 0.002,615 -0.067,616 0.009,617 -0.038,618 -0.202,619 -0.021,620 -0.149,621 -0.011,622 -0.117,623 -0.07,624 0.039,625 -0.102,626 0.036,627 -0.131,628 -0.05,629 -0.013,630 -0.074,631 0.058,632 -0.048,633 0.015,634 -0.045,635 0.122,636 0.02,637 -0.206,638 -0.205,639 0.051,640 -0.13,641 0.005,642 -0.175,643 0.014,644 -0.165,645 0.025,646 -0.083,647 -0.268,648 0.075,649 -0.126,650 0.142,651 -0.217,652 0.095,653 0.313,654 0.274,655 0.252,656 0.196,657 0.352,658 0.094,659 2.137,660 4.945,661 0.708,662 22,663 1.037,664 1.12,665 2.616,666 6.841,667 0.748,668 3.296,669 3.584,670 3.784,671 3.989,672 4.111,673 4.078,674 4.06,675 4.094,676 4.078,677 4.127,678 6.782,679 0.729,680 363.82,681 3.296,682 4.812,683 5.631,684 6.482,685 7.315,686 8.168,687 9.007,688 9.86,689 10.702,690 11.555,691 8.6,698 1,701 2,709 8,710 2,713 1,714 6,716 17,735 1,737 2,738 35,739 18,740 1,741 26,743 37,744 16,745 14,746 3,747 3,752 3,753 3,754 1,768 15,769 1,772 1,778 1,782 1,786 1,787 1,789 11,790 6,791 1,792 8,793 2,797 3,803 1,804 2,816 1,822 1,823 2,838 1,855 3,857 1,860 1,861 1,862 24,869 1,871 1,872 1,879 1,885 2,886 5.7,889 1,891 1,893 12.333,894 6.352,895 5.306,896 1.871,898 2.938,899 1.43,900 0.99,901 5.383,902 9.777,903 3.597,904 4.178,905 4.69,906 5.223,907 5.63,908 5.73,909 5.948,910 6.181,911 6.39,912 6.544,913 0.875,914 32,915 8.835,917 3.757,918 8.088,919 16.18,921 12.742,924 2.588,925 62.111,929 117.711,930 138.008,931 51.582,932 39.149,933 36.145,934 14.96,935 31.278,936 106.73,937 193.004,938 66.542,940 22.603,941 64.507,942 75.192,943 43.927,944 26.731,945 125.447,946 39.149,947 117.711,948 158.312,949 51.105,950 70.426,952 132.671,953 36.145,956 37.665,957 87.076,958 72.72,959 31.278,960 132.671,961 87.727,962 177.157,965 117.711,966 64.454,967 73.554,968 18.011,969 123.825,970 117.711,971 102.687,972 177.157,973 0.576,974 0.323,975 0.17,976 0.089,977 16,978 7,979 0.135,980 5,982 1,983 3.762,984 181.533,986 17,987 110.039,989 1,993 16.806,994 7.687,995 4.503,997 102.687,998 12.682,999 8.493,1002 1.285,1003 1.717,1005 18.011,1006 397.554,1007 35.5,1013 11.908,1017 -0.391,1020 36.291,1021 39.193,1022 0.394,1023 0.746,1024 0.902,1025 0.989,1026 0.989,1027 0.989,1028 4.798,1029 1.082,1030 5.595,1031 3.725,1032 4.263,1033 4.864,1034 2.272,1035 6.333,1036 4.098,1037 5.995,1038 1,1039 7.109,1040 2.607,1041 3.761,1042 4.543,1043 1.593,1044 7.066,1045 3.499,1046 7.281,1047 0.722,1048 8.718,1049 2.136,1050 5.79,1051 7.005,1052 3.266,1053 10.114,1054 5.482,1055 8.6,1056 0.666,1057 10.383,1058 1.702,1059 6.089,1060 7.485,1061 3.201,1062 11.667,1063 5.667,1064 9.947,1065 -0.034,1066 12.083,1067 1.591,1068 7.575,1069 9.399,1070 4.494,1071 14.202,1072 7.121,1073 11.313,1074 -0.393,1075 13.807,1076 -0.079,1077 8.252,1078 10.271,1079 4.75,1080 16.104,1081 7.683,1082 12.695,1083 -0.515,1084 15.55,1085 -1.001,1086 9.504,1087 11.932,1088 5.814,1089 18.446,1090 8.9,1091 2.928,1092 -0.708,1093 17.306,1094 -1.242,1095 10.371,1096 13.017,1097 6.248,1098 20.507,1099 9.657,1100 2.856,1101 9.234,1102 19.073,1103 -1.626,1104 11.516,1105 14.546,1106 7.174,1107 22.768,1108 10.758,1109 2.503,1110 8.709,1111 20.847,1112 3.957,1113 12.478,1114 15.75,1115 7.714,1116 24.903,1117 11.62,1118 2.17,1119 7.242,1120 22.628,1121 3.879,1122 13.575,1123 17.207,1124 8.557,1125 27.131,1126 12.663,1127 2.045,1128 5.873,1129 24.415,1130 3.289,1131 14.586,1132 18.48,1133 9.16,1134 29.302,1135 13.583,1136 1.657,1137 5.495,1138 26.205,1139 2.829,1140 15.661,1141 19.896,1142 9.952,1143 31.517,1144 14.599,1145 1.461,1146 4.079,1147 27.999,1148 2.718,1149 16.697,1150 21.209,1151 10.594,1152 33.706,1153 15.55,1154 6917,1155 13728,1156 17.394,1157 26.176,1158 38.779,1159 39.538,1160 39.033,1161 38.278,1162 38.181,1163 51.649,1164 6.127,1165 104.785,1166 34.849,1167 5.199,1168 5.626,1169 5.985,1170 4.984,1171 4.928,1172 6.957,1173 3.634,1174 15.514,1175 4.746,1176 10.856,1177 1.492,1178 1.521,1179 1.501,1180 1.472,1181 1.468,1182 1.986,1183 0.236,1184 4.03,1185 1.34,1186 3.962,1187 3.991,1188 4.229,1189 3.899,1190 8.201,1191 3.871,1192 3.901,1193 3.917,1194 4.014,1195 3.826,1196 7.429,1197 3.824,1198 3.698,1199 3.732,1200 3.749,1201 3.624,1202 4.98,1203 3.583,1204 3.475,1205 3.495,1206 3.463,1207 3.265,1208 4.939,1209 3.292,1210 2.98,1211 3.009,1212 3.337,1213 2.809,1214 4.692,1215 2.803,1216 2.878,1217 2.922,1218 2.905,1219 2.769,1220 4.427,1221 2.756,1222 2.816,1223 2.878,1224 2.833,1225 2.705,1226 4.112,1227 2.694,1228 2.73,1229 2.801,1230 2.624,1231 2.541,1232 3.838,1233 2.541,1234 0.165,1235 0.139,1236 0.238,1237 0.149,1238 0.113,1239 4.299,1240 0.152,1241 3.626,1242 0.078,1243 6.183,1244 0.355,1245 3.861,1246 0.106,1247 2.928,1248 3.957,1249 2.03,1250 9.234,1251 2.746,1252 1.857,1253 1.844,1254 1.948,1255 1.968,1256 1.026,1257 1.962,1258 1.841,1259 1.806,1260 1.926,1261 1.96,1262 0.974,1263 1.955,1264 1.494,1265 1.467,1266 1.625,1267 1.75,1268 0.754,1269 1.718,1270 1.312,1271 1.294,1272 1.394,1273 1.426,1274 0.562,1275 1.429,1276 1.133,1277 1.112,1278 1.153,1279 1.292,1280 0.33,1281 1.328,1282 0.869,1283 0.824,1284 1.102,1285 1.031,1286 0.169,1287 1.065,1288 0.798,1289 0.764,1290 1.086,1291 1.003,1292 0.108,1293 1.037,1294 0.765,1295 0.715,1296 0.841,1297 0.963,1299 0.941,1300 3.97,1302 5.263,1303 2.398,1304 6.732,1305 4.595,1306 8.28,1307 6.581,1308 9.869,1311 5.83,1312 12.945,1315 -0.26,1317 2.632,1318 5.271,1326 25.526,1327 70.716,1328 134.015,1329 162.015,1330 177.525,1331 177.525,1332 177.525,1333 44.65,1334 6.838,1335 64.11,1336 92.35,1337 17,1338 12.113,1339 4.248,1340 3.392,1341 39.598,1342 99,1343 86,1344 0.194,1345 164.759,1346 282.19,1347 393.771,1348 8663,1349 5.7,1350 16.941,1351 0.706,1352 0.574,1353 16.924,1354 13.773,1355 11.614,1356 0.447,1357 0.312,1358 6.849,1359 10.369,1360 6.631,1361 5.463,1362 11.963,1363 8.12,1364 10.411,1365 0.297,1366 0.169,1367 10.725,1368 5.93,1369 8.273,1370 0.192,1371 0.093,1372 8.973,1373 3.984,1374 6.704,1375 0.126,1376 0.053,1377 7.406,1378 2.796,1379 4.931,1380 0.082,1381 0.027,1382 5.492,1383 1.637,1384 0.313,1385 81.024,1386 0.24,1387 24.029,1388 0.505,1389 122,1390 492.269,1391 176.386,1392 494.865,1393 645.68,1394 460,1395 139,1396 420.222,1397 184.59,1398 440.503,1399 640.44,1400 413,1401 4.383}
{0 CHEMBL1327783,1 2.069,2 9.091,3 1.701,4 2.892,5 88.997,6 10.526,7 0.458,8 3.675,9 3.741,10 3.681,11 3.324,12 4.836,13 3.27,14 4.198,15 4.316,16 4.068,17 3.715,18 5.362,19 3.63,20 4.395,21 4.541,22 4.101,23 3.792,24 5.621,25 3.687,26 4.381,27 4.524,28 4.035,29 3.67,30 5.783,31 3.597,32 4.24,33 4.39,34 3.991,35 3.608,36 5.681,37 3.507,38 4.136,39 4.256,40 3.869,41 3.577,42 5.459,43 3.454,44 4.046,45 4.166,46 3.725,47 3.336,48 5.373,49 3.247,50 3.773,51 3.902,52 3.283,53 3.051,54 5.173,55 3.005,56 0.144,57 0.534,58 3.984,59 3.308,60 13.863,61 3.048,62 0.403,63 0.849,64 12.428,65 6.109,66 23.863,67 5.157,68 0.576,69 0.974,70 21.153,71 8.053,72 44.8,73 7.494,74 0.633,75 0.933,76 21.427,77 7.854,78 81.281,79 7.053,80 0.647,81 0.847,82 19.581,83 6.894,84 88.094,85 5.834,86 0.415,87 0.875,88 20.843,89 6.953,90 38.902,91 4.817,92 0.475,93 0.697,94 22.646,95 6.268,96 52.511,97 3.702,98 0.424,99 0.427,100 6.132,101 3.236,102 47.444,103 3.001,104 10,105 33,106 0.38,107 0.697,108 0.762,109 0.783,110 0.783,111 0.783,112 3.147,113 1.104,114 -2.36,115 -2.39,116 -2.35,120 38.2,126 4,143 4,145 2,147 1,154 1,159 1,167 1,174 2,176 1,185 4,188 3,189 2,197 4,200 4,201 2,213 3,214 4,226 1,227 9,239 1,240 4,251 1,252 2,264 4,274 642,275 14.897,276 14.897,277 14.897,278 14.897,279 14.897,280 13.403,281 14.419,282 8.842,283 15.711,284 11.806,285 11.806,286 11.806,287 11.806,288 11.806,289 9.469,290 13.58,291 4.171,292 13.119,293 3.019,294 1.294,295 0.941,296 0.824,297 0.824,298 0.824,299 3.824,303 1,305 1,306 1,307 1,308 427,309 2.915,312 63.134,313 141.211,320 1.38,321 32.469,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48.833,333 200,334 4.517,335 4.914,336 6.789,337 4.096,338 3.185,339 4.143,340 2.95,341 11.066,342 2.938,343 4.11,344 3.706,345 6.206,346 3.705,347 2.795,348 3.663,349 1.2,350 9.01,351 2.489,352 3.773,353 3.141,354 5.588,355 3.37,356 2.461,357 3.075,358 0.86,359 7.231,360 2.211,361 3.49,362 2.856,363 5.034,364 3.045,365 2.168,366 2.757,367 0.293,368 5.965,369 1.826,370 2.963,371 2.555,372 4.677,373 2.634,374 1.722,375 2.02,377 4.572,378 1.54,379 2.791,380 1.961,381 3.927,382 2.264,383 1.356,384 1.851,386 3.238,387 1.201,388 2.5,389 1.843,390 3.564,391 2.075,392 1.158,393 1.5,395 2.632,396 1.045,397 2.383,398 1.256,399 3.414,400 2,401 1,402 1.359,404 2.275,405 1,406 2.191,407 1.097,408 3.318,409 1.952,410 1,411 1,413 2.136,414 0.946,415 2.035,416 1.033,417 3.247,418 1.535,419 0.594,420 0.909,422 1.472,423 0.524,424 2,425 1,426 3.188,427 1.479,428 0.52,429 0.738,431 1.265,432 0.5,433 1.114,434 0.342,435 2.326,436 0.557,437 -0.267,438 -0.346,440 -0.571,441 -0.177,442 0.5,443 -0.022,444 2.146,445 0.227,446 -0.746,447 -0.795,449 -1.606,450 -0.716,451 0.5,452 -0.203,453 2,455 -1,456 -1,458 -2.347,459 -0.846,460 0.347,461 -0.36,462 1.656,463 -0.011,464 -1,465 -1.36,467 -2.387,468 -0.887,469 11.081,470 0.504,471 0.507,472 0.023,473 27.25,474 1.239,475 13,476 0.591,477 14.25,478 0.648,479 17.418,480 0.792,481 23.719,482 0.698,483 18.851,484 0.857,485 5.346,486 0.243,487 5.319,488 0.242,489 0.125,491 0.337,496 0.594,497 1.215,498 0.633,499 0.979,500 0.544,501 0.841,502 0.988,503 1,504 0.645,505 0.689,506 0.651,507 0.769,508 0.961,509 0.907,510 0.98,511 0.977,512 0.876,513 0.92,514 1.069,515 1.067,516 0.92,517 1.071,518 1.591,519 0.988,520 0.988,521 0.945,522 0.743,523 0.736,524 1.289,525 0.73,526 1.014,527 1.384,528 1.657,529 1.615,530 0.783,531 1.224,532 1.598,533 1.228,534 1.495,535 1.477,536 1.767,537 1.191,538 1.211,539 0.841,540 0.777,541 0.719,542 1.645,543 1.121,544 3.5,545 0.049,546 2.889,547 1.493,548 1.213,549 0.681,550 0.425,551 0.248,552 0.121,553 0.063,554 4761,555 18491,556 2.07,557 35.3,559 12,567 1.648,568 1.941,569 3.182,570 -0.583,572 1,574 1,575 70.339,576 2.069,577 3.793,578 4.146,579 4.264,580 4.264,581 4.264,582 2.681,583 3.88,584 4.43,585 3.271,586 755.586,587 7.625,588 8150.66,589 1,590 1,592 1,593 172.974,594 1.395,595 4.392,596 0.146,597 0.008,598 0.088,599 0.045,600 0.039,601 0.023,602 0.016,603 0.012,604 0.008,605 0.006,606 0.393,607 0.5,608 1,609 0.595,610 100.244,611 0.047,612 -0.122,613 0.08,614 -0.072,615 -0.028,616 -0.016,617 -0.133,618 0.039,619 0.132,620 0.212,621 -0.027,622 0.108,623 -0.021,624 0.076,625 0.006,626 0.033,627 0.021,628 0.062,629 0.023,630 -0.113,631 0.013,632 -0.09,633 -0.082,634 -0.027,635 0.062,636 0.089,637 0.15,638 0.276,639 0.054,640 0.216,641 -0.181,642 -0.119,643 -0.46,644 -0.347,645 0.01,646 -0.306,647 -0.394,648 -0.085,649 -0.358,650 -0.295,651 -0.351,652 -0.292,653 -0.026,654 -0.007,655 -0.102,656 -0.062,657 -0.206,658 -0.274,659 2.727,660 5.63,661 0.773,662 15.851,663 1.035,664 1.117,665 1.129,666 1.274,667 0.745,668 3.219,669 3.526,670 3.807,671 4.025,672 4.174,673 4.159,674 4.174,675 4.205,676 4.234,677 4.174,678 5.291,679 0.707,680 357.87,681 3.219,682 4.745,683 5.595,684 6.463,685 7.331,686 8.206,687 9.081,688 9.96,689 10.839,690 11.72,691 8.8,698 1,701 2,709 4,710 2,713 1,714 4,716 11,724 1,737 1,738 34,739 13,740 1,741 24,743 36,744 13,745 8,746 2,747 4,748 1,752 3,753 3,754 1,768 9,769 4,772 2,778 2,782 1,783 1,785 1,786 1,789 12,790 6,792 9,793 3,797 3,803 1,804 3,822 1,823 2,854 1,855 3,857 2,860 1,862 22,864 1,869 4,872 1,875 1,885 1,886 8.8,889 2,890 1,893 11.333,894 6.16,895 4.889,896 1.951,898 2.119,899 1.317,900 0.978,901 5.059,902 8.811,903 3.481,904 4.021,905 4.591,906 5.089,907 5.445,908 5.625,909 5.783,910 6.048,911 6.322,912 6.48,913 1,914 33,915 8.205,917 3.582,918 8,919 15.256,921 12.497,924 2.5,925 55,929 141.253,930 113.999,931 34.641,932 39.149,933 58.301,935 50.185,936 63.814,937 238.703,938 34.641,940 16.52,941 57.038,942 94.522,943 7.808,945 172.305,946 39.149,947 141.253,948 98.455,949 58.301,950 89.333,952 141.253,953 47.301,954 11,956 19.277,957 47.661,958 70.665,959 50.185,960 141.253,961 92.942,962 153.147,965 160.386,966 56.961,967 41.029,969 128.966,970 141.253,971 92.942,972 153.147,973 0.579,974 0.347,975 0.184,976 0.096,977 16,978 7,979 0.083,980 3,982 1,983 3.405,984 171.925,986 17,987 90.107,989 1,991 1,993 15.841,994 7.025,995 3.499,997 92.942,998 6.655,999 7.669,1002 0.976,1003 1.637,1006 387.343,1007 31.5,1013 25.12,1017 -0.255,1018 -1.504,1020 35.182,1021 37.983,1022 0.407,1023 0.746,1024 0.815,1025 0.838,1026 0.838,1027 0.838,1028 4.707,1029 1,1030 5.572,1031 2.632,1032 4.205,1033 4.705,1034 3.125,1035 6.382,1036 4.008,1037 5.892,1038 1,1039 7.135,1040 2.275,1041 3.761,1042 4.443,1043 0.325,1044 7.314,1045 3.392,1046 7.187,1047 0.594,1048 8.805,1049 2.136,1050 5.79,1051 6.829,1052 5.057,1053 10.441,1054 5.405,1055 8.523,1056 0.52,1057 10.54,1058 1.472,1059 6.217,1060 7.453,1061 0.653,1062 12.23,1063 5.683,1064 9.895,1065 -0.267,1066 12.317,1067 1.265,1068 7.689,1069 9.268,1070 7.189,1071 14.88,1072 7.129,1073 11.293,1074 -0.746,1075 14.122,1076 -0.571,1077 8.5,1078 10.285,1079 1.001,1080 17.005,1081 7.818,1082 12.71,1083 -1,1084 15.949,1085 -1.606,1086 9.76,1087 11.873,1088 9.348,1089 19.495,1090 9.035,1091 3.185,1092 -1,1093 17.79,1094 -2.347,1095 10.748,1096 13.079,1097 1.37,1098 21.766,1099 9.92,1100 2.795,1101 11.066,1102 19.643,1103 -2.387,1104 11.927,1105 14.568,1106 11.511,1107 24.197,1108 11.042,1109 2.461,1110 9.01,1111 21.505,1112 4.143,1113 12.996,1114 15.869,1115 1.754,1116 26.535,1117 12.021,1118 2.168,1119 7.231,1120 23.374,1121 3.663,1122 14.147,1123 17.314,1124 13.675,1125 28.944,1126 13.107,1127 1.722,1128 5.965,1129 25.249,1130 3.075,1131 15.255,1132 18.666,1133 2.143,1134 31.314,1135 14.132,1136 1.356,1137 4.572,1138 27.129,1139 2.757,1140 16.398,1141 20.091,1142 15.838,1143 33.716,1144 15.205,1145 1.158,1146 3.238,1147 29.013,1148 2.02,1149 17.525,1150 21.47,1151 2.535,1152 36.101,1153 16.253,1154 4652,1155 9326,1156 16.008,1157 25.341,1158 36.632,1159 39.01,1160 37.401,1161 36.234,1162 35.919,1163 46.028,1164 10.606,1165 101.721,1166 32.44,1167 5.517,1168 6.914,1169 6.59,1170 5.26,1171 5.185,1172 7.143,1173 5.9,1174 18.578,1175 4.938,1176 9.734,1177 1.526,1178 1.625,1179 1.558,1180 1.51,1181 1.497,1182 1.918,1183 0.442,1184 4.238,1185 1.352,1186 3.985,1187 3.988,1188 4.494,1189 4.001,1190 7.428,1191 3.923,1192 3.831,1193 3.867,1194 4.002,1195 3.726,1196 7.396,1197 3.703,1198 3.676,1199 3.705,1200 3.788,1201 3.525,1202 4.959,1203 3.512,1204 3.18,1205 3.206,1206 3.665,1207 3.109,1208 4.918,1209 3.035,1210 3.111,1211 3.146,1212 3.163,1213 2.941,1214 4.612,1215 2.91,1216 3.009,1217 3.022,1218 3.096,1219 2.794,1220 4.267,1221 2.781,1222 2.854,1223 2.925,1224 2.866,1225 2.735,1226 3.751,1227 2.715,1228 2.567,1229 2.615,1230 2.687,1231 2.42,1232 3.674,1233 2.359,1234 0.188,1235 0.205,1236 0.283,1237 0.171,1238 0.133,1239 4.517,1240 0.173,1241 4.914,1242 0.123,1243 6.789,1244 0.461,1245 4.096,1246 0.122,1247 3.185,1248 4.143,1249 2.95,1250 11.066,1251 2.938,1252 1.901,1253 1.898,1254 1.944,1255 1.977,1256 1.197,1257 1.98,1258 1.724,1259 1.678,1260 1.919,1261 1.937,1262 1.114,1263 1.95,1264 1.449,1265 1.463,1266 1.513,1267 1.579,1268 0.825,1269 1.559,1270 1.153,1271 1.089,1272 1.395,1273 1.376,1274 0.697,1275 1.429,1276 1.084,1277 1.064,1278 1.181,1279 1.207,1280 0.274,1281 1.266,1282 0.886,1283 0.821,1284 1.038,1285 1.11,1286 0.218,1287 1.107,1288 0.798,1289 0.792,1290 0.919,1291 1.062,1292 0.101,1293 1.072,1294 0.686,1295 0.614,1296 0.785,1297 0.879,1299 0.917,1300 3.892,1302 5.198,1303 2.398,1304 6.706,1305 4.595,1306 8.297,1307 6.605,1308 9.933,1311 5.831,1315 2.005,1318 5.226,1321 1.642,1326 24.044,1327 70.339,1328 128.974,1329 140.974,1330 144.974,1331 144.974,1332 144.974,1333 46.024,1334 6.692,1335 72.39,1336 119.84,1337 17,1338 12.256,1339 3.807,1340 3.087,1341 34.355,1342 68,1343 74,1344 0.248,1345 158.693,1346 270.34,1347 378.97,1348 6506,1349 2.9,1350 15.527,1351 0.706,1352 0.627,1353 16.669,1354 13.788,1355 10.665,1356 0.444,1357 0.368,1358 6.609,1359 8.858,1360 6.309,1361 5.148,1362 12.03,1363 8.834,1364 9.395,1365 0.285,1366 0.224,1367 11.298,1368 7.402,1369 8.173,1370 0.186,1371 0.133,1372 10.387,1373 5.837,1374 6.494,1375 0.118,1376 0.075,1377 8.654,1378 4.113,1379 4.913,1380 0.077,1381 0.045,1382 6.942,1383 2.909,1384 0.379,1385 81.609,1386 0.25,1387 21.514,1388 0.708,1389 114,1390 426.066,1391 202.411,1392 472.136,1393 618.12,1394 436,1395 134,1396 380.369,1397 211.836,1398 434.054,1399 629.26,1400 405,1401 5.035}
{0 CHEMBL1328160,1 1.75,2 9.143,3 2.333,4 5.441,5 78.236,6 8.963,7 0.545,8 3.627,9 3.718,10 3.334,11 3.193,12 4.879,13 3.192,14 4.095,15 4.226,16 3.675,17 3.513,18 5.409,19 3.495,20 4.286,21 4.446,22 3.78,23 3.582,24 5.589,25 3.559,26 4.261,27 4.409,28 3.652,29 3.465,30 5.68,31 3.451,32 4.139,33 4.279,34 3.65,35 3.41,36 5.595,37 3.397,38 4.107,39 4.259,40 3.641,41 3.429,42 5.464,43 3.378,44 4.113,45 4.308,46 3.491,47 3.363,48 5.49,49 3.273,50 3.922,51 4.123,52 3.203,53 3.152,54 5.108,55 3.055,56 0.09,57 0.455,58 4.711,59 2.889,60 7.41,61 3.217,62 0.335,63 0.682,64 10.144,65 4.681,66 28.627,67 5.371,68 0.375,69 0.774,70 15.922,71 5.816,72 32.646,73 6.634,74 0.517,75 0.717,76 17.573,77 5.467,78 61.422,79 5.565,80 0.492,81 0.64,82 13.296,83 4.834,84 61.901,85 5.029,86 0.4,87 0.625,88 13.715,89 5.182,90 44.139,91 5.819,92 0.472,93 0.62,94 16.488,95 5.226,96 64.205,97 6.574,98 0.251,99 0.509,100 14.488,101 4.428,102 22.747,103 5.408,104 20,105 29,106 0.323,107 0.673,108 0.816,109 0.89,110 0.901,111 0.901,112 3.103,113 0.91,114 -3.56,115 -3.53,116 -3.37,120 44.1,121 1,126 1,143 5,144 2,145 2,146 2,159 2,174 5,176 1,177 6,180 1,182 2,185 4,189 6,194 4,197 3,200 1,201 5,204 1,206 2,209 3,214 3,217 2,222 6,227 4,235 6,239 2,240 5,245 1,247 4,252 3,260 2,263 2,264 3,271 1,274 598,275 14.06,276 14.06,277 14.06,278 14.06,279 14.06,280 12.349,281 11.796,282 8.537,283 14.461,284 10.798,285 10.798,286 10.798,287 10.798,288 10.798,289 8.192,290 11.784,291 3.964,292 11.361,293 3.337,294 1.437,295 0.658,296 0.257,297 0.199,298 0.199,299 3.761,303 1,305 1,306 1,307 1,308 392,309 3.317,313 148.139,320 1.401,321 28.128,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 46.333,333 192,334 4.336,335 3.666,336 6.23,337 3.946,338 2.979,339 3.971,340 1.674,341 9.31,342 2.882,343 4.124,344 3.577,345 6.015,346 3.76,347 2.759,348 3.659,349 1.058,350 8.543,351 2.751,352 3.843,353 3.104,354 5.798,355 3.443,356 2.5,357 3.205,359 7.769,360 2.308,361 3.268,362 2.189,363 4.413,364 2.774,365 1.809,366 2.533,368 4.413,369 1.73,370 2.884,371 2.043,372 4.209,373 2.457,374 1.533,375 1.996,377 3.812,378 1.413,379 2.838,380 1.814,381 4.013,382 2.378,383 1.438,384 1.924,386 3.481,387 1.292,388 2.535,389 1.734,390 3.44,391 2.005,392 1,393 1.5,395 2.413,396 0.998,397 2.5,398 1.323,399 3.247,400 1.954,401 1,402 1.474,404 2.136,405 0.951,406 2.078,407 1,408 2.964,409 1.822,410 0.85,411 0.978,413 1.401,414 0.801,415 1.456,416 0.719,417 2.757,418 1.023,419 0.126,420 0.157,422 0.287,423 0.097,424 0.915,425 0.344,426 2.28,427 0.482,428 -0.452,429 -0.534,431 -0.856,432 -0.393,433 0.746,434 0.198,435 2.129,436 0.382,437 -0.612,438 -0.752,440 -1.27,441 -0.571,442 0.659,443 -0.499,444 1.736,445 0.248,446 -0.752,447 -1.089,449 -1.621,450 -0.738,451 0.5,452 -0.72,453 1.555,454 0.011,455 -1,456 -1.465,458 -2.347,459 -0.972,460 0.47,461 -0.818,462 1.529,463 -0.026,464 -1,465 -1.5,467 -2.882,468 -0.974,469 10.014,470 0.477,471 0.473,472 0.023,473 28.75,474 1.369,475 15.5,476 0.738,477 13.25,478 0.631,479 13.65,480 0.65,481 22.386,482 0.658,483 20.578,484 0.98,485 5.938,486 0.283,487 4.175,488 0.199,489 0.188,491 0.3,496 0.695,497 1.253,498 0.57,499 0.966,500 0.573,501 0.868,502 0.745,503 1.095,504 0.676,505 0.882,506 0.589,507 0.877,508 1.054,509 1.148,510 0.885,511 1.001,512 0.895,513 0.919,514 1.575,515 0.95,516 1.308,517 1.007,518 1.698,519 0.99,520 1.255,521 0.874,522 0.887,523 0.852,524 1.595,525 0.879,526 0.85,527 1.074,528 0.899,529 1.087,530 0.976,531 1.044,532 0.617,533 0.954,534 1.107,535 1.011,536 0.549,537 1.013,538 0.951,539 1.074,540 1.402,541 1.223,542 0.715,543 1.153,544 4,545 0.033,546 2.667,547 1.25,548 1.044,549 0.701,550 0.388,551 0.286,552 0.148,553 0.044,554 4010,555 14514,556 1.968,557 38.2,559 7,561 2,562 1,564 3,567 1.633,568 1.826,569 3.204,570 -0.244,572 1,574 1,575 59.51,576 1.75,577 3.65,578 4.43,579 4.83,580 4.889,581 4.889,582 2.701,583 4.071,584 4.363,585 3.3,586 692.92,587 7.484,588 7424.13,589 1,590 1,592 1,593 172.974,594 1.461,595 4.311,596 0.182,597 0.005,598 0.092,599 0.042,600 0.04,601 0.028,602 0.017,603 0.014,604 0.01,605 0.004,606 0.435,607 0.33,608 1,609 1.292,610 95.084,611 -0.058,612 -0.133,613 0.009,614 -0.055,615 -0.065,616 -0.01,617 0.101,618 -0.037,619 0.052,620 0.044,621 0.07,622 0.02,623 -0.093,624 -0.153,625 0.054,626 -0.043,627 -0.019,628 0.024,629 -0.281,630 0.038,631 -0.233,632 -0.055,633 -0.239,634 -0.098,635 -0.04,636 0.116,637 0.022,638 0.092,639 -0.129,640 0.017,641 0.099,642 -0.125,643 0.107,644 -0.09,645 0.012,646 -0.072,647 0.256,648 -0.004,649 0.052,650 0.001,651 0.283,652 0.011,653 -0.1,654 -0.133,655 -0.14,656 -0.197,657 -0.006,658 -0.119,659 2.133,660 5.047,661 0.571,662 16.023,663 1.024,664 1.119,665 2.328,666 5.422,667 0.7,668 3.135,669 3.401,670 3.611,671 3.761,672 3.951,673 3.892,674 3.892,675 3.829,676 3.807,677 3.689,678 5.405,679 0.682,680 304.75,681 3.135,682 4.635,683 5.451,684 6.293,685 7.132,686 7.98,687 8.826,688 9.676,689 10.526,690 11.378,691 5.9,698 1,701 1,709 7,710 1,714 4,716 12,723 1,726 1,737 1,738 34,739 14,740 1,741 22,743 35,744 15,745 11,746 3,747 3,748 2,752 2,753 2,754 1,759 1,768 13,769 2,772 2,778 2,782 2,785 1,786 1,789 13,790 5,791 1,792 6,793 1,797 2,803 1,804 3,816 1,823 2,855 2,859 1,860 1,862 21,869 1,871 1,872 1,885 1,886 8.8,889 2,891 1,893 11.5,894 6.426,895 4.833,896 2.023,898 2.238,899 1.357,900 0.944,901 5.174,902 8.504,903 3.434,904 3.97,905 4.489,906 4.956,907 5.458,908 5.495,909 5.698,910 5.73,911 6.021,912 6.202,913 1,914 30,915 7.726,917 3.199,918 8.101,919 14.114,921 10.778,924 2.601,925 54.611,929 141.253,930 103.418,931 34.796,932 39.149,933 61.29,936 103.418,937 241.692,938 34.796,939 8.825,940 22.603,941 47.381,942 102.514,943 41.723,945 117.711,946 39.149,947 141.253,948 138.214,949 61.29,950 39.149,952 105.94,953 96.603,956 49.523,957 71.906,958 55.934,960 141.253,961 96.086,962 142.567,965 141.253,966 29.117,967 74.301,968 18.011,969 117.224,970 141.253,971 96.086,972 142.567,973 0.566,974 0.33,975 0.168,976 0.092,977 12,978 6,979 0.143,980 5,982 1,983 3.29,984 149.681,986 12,987 92.239,993 15.326,994 7.09,995 3.955,997 96.086,998 10.863,999 3.872,1003 1.397,1005 18.011,1006 379.906,1007 30,1013 23.723,1017 -0.822,1020 34.811,1021 38.06,1022 0.344,1023 0.717,1024 0.871,1025 0.949,1026 0.961,1027 0.961,1028 4.625,1029 1,1030 5.416,1031 2.413,1032 4.078,1033 4.654,1034 2.18,1035 6.172,1036 3.993,1037 5.816,1038 0.85,1039 6.95,1040 2.136,1041 3.611,1042 4.369,1044 6.986,1045 3.498,1046 7.103,1047 0.126,1048 8.587,1049 1.401,1050 5.617,1051 6.78,1052 2.956,1053 10.041,1054 5.476,1055 8.427,1056 -0.452,1057 10.283,1058 0.287,1059 5.969,1060 7.289,1062 11.648,1063 5.806,1064 9.782,1065 -0.612,1066 12.015,1067 -0.856,1068 7.44,1069 9.181,1070 3.869,1071 14.195,1072 7.255,1073 11.157,1074 -0.752,1075 13.77,1076 -1.27,1077 8.165,1078 10.062,1080 16.119,1081 7.958,1082 12.549,1083 -1,1084 15.541,1085 -1.621,1086 9.408,1087 11.716,1088 4.85,1089 18.47,1090 9.18,1091 2.979,1092 -1,1093 17.322,1094 -2.347,1095 10.309,1096 12.794,1098 20.538,1099 10.059,1100 2.759,1101 9.31,1102 19.11,1103 -2.882,1104 11.452,1105 14.323,1106 5.861,1107 22.805,1108 11.179,1109 2.5,1110 8.543,1111 20.903,1112 3.971,1113 12.438,1114 15.514,1116 24.941,1117 12.141,1118 1.809,1119 7.769,1120 22.699,1121 3.659,1122 13.537,1123 16.973,1124 6.884,1125 27.174,1126 13.217,1127 1.533,1128 4.413,1129 24.499,1130 3.205,1131 14.565,1132 18.232,1134 29.346,1135 14.22,1136 1.438,1137 3.812,1138 26.301,1139 2.533,1140 15.646,1141 19.65,1142 7.911,1143 31.564,1144 15.276,1145 1,1146 3.481,1147 28.104,1148 1.996,1149 16.696,1150 20.951,1152 33.755,1153 16.299,1154 4114,1155 7935,1156 14.216,1157 23.801,1158 32.451,1159 34.264,1160 33.447,1161 32.032,1162 31.986,1163 42.796,1164 5.465,1165 87.129,1166 30.447,1167 5.175,1168 5.666,1169 6.032,1170 4.983,1171 4.979,1172 6.971,1173 3.349,1174 15.682,1175 4.882,1176 11.133,1177 1.475,1178 1.557,1179 1.52,1180 1.456,1181 1.454,1182 1.945,1183 0.248,1184 3.96,1185 1.384,1186 3.971,1187 3.993,1188 4.036,1189 3.887,1190 7.434,1191 3.891,1192 3.851,1193 3.88,1194 3.819,1195 3.755,1196 7.428,1197 3.761,1198 3.533,1199 3.581,1200 3.535,1201 3.302,1202 4.93,1203 3.312,1204 3.31,1205 3.352,1206 3.272,1207 3.086,1208 4.871,1209 3.113,1210 3.137,1211 3.143,1212 3.207,1213 2.963,1214 4.477,1215 2.972,1216 2.842,1217 2.902,1218 2.841,1219 2.721,1220 4.248,1221 2.711,1222 2.754,1223 2.836,1224 2.714,1225 2.537,1226 3.927,1227 2.55,1228 2.612,1229 2.662,1230 2.62,1231 2.363,1232 3.803,1233 2.388,1234 0.197,1235 0.167,1236 0.283,1237 0.179,1238 0.135,1239 4.336,1240 0.18,1241 3.666,1242 0.076,1243 6.23,1244 0.423,1245 3.946,1246 0.131,1247 2.979,1248 3.971,1249 1.674,1250 9.31,1251 2.882,1252 1.912,1253 1.894,1254 1.982,1255 2.021,1256 1.094,1257 2.013,1258 1.822,1259 1.792,1260 1.923,1261 1.938,1262 0.957,1263 1.936,1264 1.482,1265 1.421,1266 1.797,1267 1.735,1268 0.933,1269 1.753,1270 1.2,1271 1.165,1272 1.338,1273 1.47,1274 0.328,1275 1.43,1276 1.029,1277 1.02,1278 1.159,1279 1.266,1280 0.196,1281 1.229,1282 0.849,1283 0.794,1284 1.094,1285 1.025,1286 0.159,1287 1.055,1288 0.712,1289 0.633,1290 0.993,1291 0.97,1292 0.09,1293 0.982,1294 0.533,1295 0.474,1296 0.944,1297 0.844,1299 0.888,1300 3.807,1302 5.081,1304 6.558,1306 8.122,1308 9.73,1310 1.721,1311 6.027,1315 0.277,1317 2.645,1318 4.908,1326 23.176,1327 59.51,1328 124.103,1329 150.609,1330 164.219,1331 166.219,1332 166.219,1333 44.239,1334 6.265,1335 68.29,1336 68.29,1337 12,1338 11.935,1339 3.907,1340 3.17,1341 39.198,1342 66,1343 72,1344 0.289,1345 150.36,1346 264,1347 358.638,1348 3611,1349 2.9,1350 15.242,1351 0.726,1352 0.574,1353 15.742,1354 12.054,1355 10.113,1356 0.46,1357 0.303,1358 6.23,1359 9.405,1360 6.054,1361 5.04,1362 10.402,1363 6.674,1364 8.688,1365 0.3,1366 0.156,1367 9.058,1368 4.518,1369 7.081,1370 0.197,1371 0.083,1372 7.461,1373 2.979,1374 5.361,1375 0.128,1376 0.043,1377 5.581,1378 1.819,1379 4.184,1380 0.082,1381 0.024,1382 4.486,1383 1.216,1384 0.447,1385 66.827,1386 0.265,1387 20.851,1388 0.808,1389 102,1390 381.388,1391 129.043,1392 391.037,1393 507.18,1394 362,1395 116,1396 332.956,1397 138.676,1398 344.635,1399 499.99,1400 323,1401 4.511}
{0 CHEMBL1328401,1 1.498,2 11,3 4.637,4 21.499,5 108.695,6 7.111,7 0.444,8 3.984,9 4.114,10 3.52,11 3.524,12 4.983,13 3.472,14 4.533,15 4.735,16 3.878,17 3.894,18 5.457,19 3.825,20 4.745,21 4.951,22 3.937,23 4.103,24 5.627,25 3.976,26 4.866,27 5.109,28 3.913,29 4.139,30 5.698,31 3.952,32 4.842,33 5.098,34 3.778,35 4.056,36 5.662,37 3.861,38 4.775,39 5.057,40 3.725,41 3.938,42 5.526,43 3.752,44 4.604,45 4.842,46 3.554,47 3.856,48 5.44,49 3.659,50 4.547,51 4.814,52 3.387,53 3.754,54 5.289,55 3.542,56 0.047,57 0.72,58 11.253,59 4.631,60 8.369,61 6.404,62 0.242,63 1.186,64 22.222,65 7.208,66 21.064,67 10.43,68 0.246,69 1.45,70 27.86,71 10.113,72 22.442,73 13.761,74 0.254,75 1.568,76 35.213,77 12.796,78 29.309,79 16.814,80 0.306,81 1.532,82 36.361,83 11.923,84 33.342,85 15.737,86 0.251,87 1.328,88 30.709,89 10.924,90 27.038,91 14.752,92 0.291,93 1.196,94 30.001,95 10.008,96 28.257,97 12.532,98 0.143,99 1.093,100 24.502,101 9.114,102 18.466,103 12.368,104 18,105 37,106 0.255,107 0.535,108 0.695,109 0.768,110 0.795,111 0.795,112 3.266,113 0.999,114 -4.28,115 -4.22,116 -3.99,120 40,121 2,125 1,126 4,143 7,144 2,145 3,160 1,174 8,177 4,180 1,182 2,185 11,188 1,189 2,194 2,197 5,200 1,201 4,206 3,209 3,214 4,217 1,227 4,239 1,240 3,245 2,252 2,257 1,264 3,267 1,269 1,271 4,274 891,275 16.765,276 16.765,277 16.765,278 16.765,279 16.765,280 15.135,281 27.041,282 9.868,283 17.299,284 13.276,285 13.276,286 13.276,287 13.276,288 13.276,289 10.738,290 41.501,291 4.634,292 14.069,293 4.146,294 2.496,295 1.558,296 1.125,297 0.965,298 0.965,299 3.947,306 1,307 1,308 583,309 2.915,313 268.603,320 1.92,321 12.313,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 52.5,333 275,334 4.199,335 3.892,336 6.193,337 3.878,338 2.946,339 3.819,340 1.803,341 9.236,342 2.766,343 4.166,344 3.144,345 6.03,346 3.786,347 2.825,348 3.726,349 0.86,350 8.681,351 2.736,352 3.915,353 2.892,354 5.636,355 3.587,356 2.651,357 3.118,358 0.8,359 7.779,360 2.442,361 3.575,362 2.753,363 5.283,364 3.256,365 2.333,366 2.801,367 0.566,368 6.709,369 2.144,370 3.27,371 2.342,372 4.885,373 2.944,374 1.982,375 2.492,376 0.076,377 5.654,378 1.903,379 3.232,380 2.152,381 4.618,382 2.879,383 1.879,384 2.481,386 4.963,387 1.879,388 2.895,389 2.147,390 4.377,391 2.518,392 1.578,393 1.975,395 4.204,396 1.474,397 2.658,398 1.682,399 3.961,400 2.195,401 1.243,402 1.689,404 3.091,405 1.177,406 2.31,407 1.176,408 3.48,409 1.967,410 1.009,411 1.235,413 2.5,414 0.965,415 2,416 1.146,417 3.414,418 1.938,419 1,420 1,422 2.275,423 0.927,424 1.583,425 0.935,426 2.835,427 1.293,428 0.428,429 0.48,431 0.622,432 0.367,433 1.191,434 0.557,435 2.693,436 0.783,437 -0.158,438 -0.19,440 -0.439,441 -0.146,442 1,443 -0.109,444 2.471,445 0.653,446 -0.347,447 -0.445,449 -0.891,450 -0.347,451 0.863,452 -0.11,453 2.382,454 0.554,455 -0.399,456 -0.482,458 -0.962,459 -0.372,460 0.703,461 -0.171,462 2.147,463 0.367,464 -0.586,465 -0.688,467 -1.356,468 -0.559,469 12.367,470 0.495,471 0.626,472 0.025,473 30.5,474 1.22,475 14.5,476 0.58,477 16,478 0.64,479 21.717,480 0.869,481 27.233,482 0.545,483 20.949,484 0.838,485 6.185,486 0.247,487 5.861,488 0.234,489 0.189,491 0.307,496 0.974,497 1.389,498 0.739,499 1.018,500 0.833,501 1.017,502 1.368,503 1.046,504 0.761,505 0.806,506 0.727,507 0.828,508 1.218,509 1.073,510 1.053,511 1.009,512 1.1,513 1.092,514 0.748,515 1.183,516 1.15,517 1.179,518 1.003,519 1.114,520 1.044,521 1.088,522 1.346,523 1.218,524 1.385,525 1.117,526 1.09,527 0.857,528 0.789,529 0.772,530 0.882,531 0.826,532 1.282,533 1.099,534 1.581,535 1.312,536 1.503,537 1.149,538 0.641,539 1.112,540 1.042,541 1.118,542 0.821,543 1.13,544 6,545 0.108,546 2.444,547 1.813,548 1.178,549 0.806,550 0.465,551 0.326,552 0.23,553 0.122,554 7505,555 17510,556 2.038,557 50,558 6,559 18,562 1,567 1.675,568 1.899,569 3.435,570 -0.356,575 74.903,576 1.498,577 3.148,578 4.086,579 4.519,580 4.679,581 4.679,582 2.953,583 4.134,584 4.616,585 3.625,586 1087.58,587 7.956,588 13588.4,590 1,593 282.193,594 1.44,595 4.569,596 0.222,597 0.007,598 0.066,599 0.049,600 0.036,601 0.029,602 0.017,603 0.014,604 0.012,605 0.008,606 0.46,607 0.5,608 1,609 0.795,610 122.444,611 0.02,612 -0.236,613 0.044,614 -0.086,615 -0.034,616 -0.029,617 -0.027,618 0.049,619 0.101,620 0.081,621 0.172,622 0.11,623 -0.145,624 0.018,625 -0.126,626 -0.057,627 -0.193,628 -0.129,629 0.062,630 -0.166,631 -0.053,632 -0.111,633 0.005,634 -0.111,635 -0.081,636 -0.044,637 -0.169,638 -0.142,639 -0.253,640 -0.135,641 -0.027,642 0.07,643 0.169,644 0.174,645 0.076,646 0.143,647 -0.119,648 -0.048,649 -0.276,650 -0.146,651 -0.226,652 -0.149,653 -0.007,654 -0.149,655 -0.07,656 -0.125,657 0.001,658 -0.133,659 0.865,660 1.947,661 0.72,662 23.334,663 0.989,664 1.124,665 3.054,666 9.329,667 0.67,668 3.332,669 3.638,670 3.85,671 4.078,672 4.248,673 4.29,674 4.304,675 4.344,676 4.419,677 4.466,678 6.666,679 0.615,680 355.55,681 3.332,682 4.86,683 5.687,684 6.55,685 7.388,686 8.254,687 9.096,688 9.963,689 10.807,690 11.674,691 6,697 1,698 2,709 7,714 5,716 12,732 1,735 1,738 50,739 13,740 2,741 27,743 52,744 20,745 12,746 5,747 7,752 3,753 3,757 1,759 2,768 13,769 7,772 1,779 1,782 1,786 1,789 25,790 4,791 1,792 5,793 1,797 3,803 1,804 1,823 3,855 3,857 1,859 3,862 25,869 4,871 1,872 1,875 2,886 2,891 1,893 13.167,894 9.817,895 5.556,896 2.931,898 2.03,899 1.289,900 0.969,901 5.94,902 9.046,903 3.555,904 4.094,905 4.554,906 5.047,907 5.462,908 5.513,909 5.52,910 5.691,911 5.76,912 5.961,913 1,914 37,915 9.212,917 3.726,918 7.487,919 18.088,921 14.487,924 1.987,925 49.667,927 1,928 1,929 282.506,930 165.895,931 24.259,933 11,935 45.192,936 120.703,937 293.506,938 24.259,939 28.533,940 29.558,941 66.334,943 31.252,944 0.285,945 282.506,946 45.192,947 282.506,948 144.962,949 11,950 45.192,952 282.506,953 11,956 47.208,957 97.754,959 45.192,960 282.506,961 35.259,962 165.895,965 282.506,966 25.835,967 101.116,968 18.011,969 56.192,970 282.506,971 35.259,972 165.895,973 0.578,974 0.33,975 0.176,976 0.091,977 17,978 8,979 0.058,980 3,982 1,983 3.741,984 197.083,986 18,987 106.096,990 1,993 18.176,994 8.17,995 4.718,997 35.259,998 14.653,1003 5.651,1005 18.011,1006 483.66,1007 34,1014 5.614,1017 0.801,1020 49.429,1021 56.192,1022 0.265,1023 0.558,1024 0.724,1025 0.801,1026 0.829,1027 0.829,1028 4.787,1029 1.243,1030 5.666,1031 4.204,1032 4.317,1033 4.779,1034 2.253,1035 6.428,1036 4.21,1037 5.967,1038 1.009,1039 7.197,1040 3.091,1041 3.892,1042 4.527,1043 1.494,1044 7.195,1045 3.707,1046 7.253,1047 1,1048 8.818,1049 2.5,1050 5.872,1051 6.854,1052 2.836,1053 10.236,1054 5.659,1055 8.563,1056 0.428,1057 10.489,1058 2.275,1059 6.196,1060 7.318,1061 2.73,1062 11.768,1063 5.892,1064 9.9,1065 -0.158,1066 12.193,1067 0.622,1068 7.668,1069 9.18,1070 3.77,1071 14.313,1072 7.345,1073 11.254,1074 -0.347,1075 13.918,1076 -0.439,1077 8.353,1078 9.997,1079 3.984,1080 16.189,1081 7.941,1082 12.621,1083 -0.399,1084 15.658,1085 -0.891,1086 9.599,1087 11.641,1088 4.84,1089 18.534,1090 9.164,1091 2.946,1092 -0.586,1093 17.411,1094 -0.962,1095 10.466,1096 12.656,1097 5.219,1098 20.575,1099 9.952,1100 2.825,1101 9.236,1102 19.172,1103 -1.356,1104 11.607,1105 14.18,1106 5.964,1107 22.835,1108 11.063,1109 2.651,1110 8.681,1111 20.942,1112 3.819,1113 12.568,1114 15.313,1115 6.434,1116 24.956,1117 11.953,1118 2.333,1119 7.779,1120 22.717,1121 3.726,1122 13.661,1123 16.765,1124 7.114,1125 27.18,1126 13.01,1127 1.982,1128 6.709,1129 24.498,1130 3.118,1131 14.669,1132 17.971,1133 7.634,1134 29.341,1135 13.954,1136 1.879,1137 5.654,1138 26.283,1139 2.801,1140 15.741,1141 19.378,1142 8.276,1143 31.551,1144 14.984,1145 1.578,1146 4.963,1147 28.071,1148 2.492,1149 16.773,1150 20.629,1151 8.825,1152 33.733,1153 15.957,1154 7316,1155 11280,1156 17.8,1157 33.495,1158 39.902,1159 41.564,1160 41.128,1161 39.708,1162 39.749,1163 49.634,1164 8.211,1165 111.426,1166 37.559,1167 5.199,1168 5.892,1169 5.783,1170 4.946,1171 4.946,1172 6.819,1173 3.18,1174 15.57,1175 4.766,1176 12.987,1177 1.478,1178 1.539,1179 1.523,1180 1.471,1181 1.472,1182 1.838,1183 0.304,1184 4.127,1185 1.391,1186 3.989,1187 4.031,1188 4.009,1189 3.904,1190 4.899,1191 3.9,1192 3.924,1193 3.957,1194 3.868,1195 3.842,1196 4.851,1197 3.844,1198 3.733,1199 3.786,1200 3.799,1201 3.59,1202 4.66,1203 3.579,1204 3.337,1205 3.395,1206 3.48,1207 3.238,1208 4.41,1209 3.179,1210 3.266,1211 3.35,1212 3.067,1213 3.125,1214 4.16,1215 3.101,1216 3.234,1217 3.304,1218 3.062,1219 2.966,1220 3.966,1221 2.975,1222 3.111,1223 3.206,1224 2.922,1225 2.941,1226 3.864,1227 2.91,1228 3.002,1229 3.084,1230 2.866,1231 2.865,1232 3.638,1233 2.833,1234 0.156,1235 0.144,1236 0.229,1237 0.144,1238 0.109,1239 4.199,1240 0.141,1241 3.892,1242 0.067,1243 6.193,1244 0.342,1245 3.878,1246 0.102,1247 2.946,1248 3.819,1249 1.803,1250 9.236,1251 2.766,1252 1.941,1253 1.912,1254 2.058,1255 2.062,1256 1.297,1257 2.062,1258 1.908,1259 1.877,1260 2.03,1261 2.017,1262 1.183,1263 2.028,1264 1.696,1265 1.637,1266 1.878,1267 1.874,1268 1.027,1269 1.882,1270 1.303,1271 1.226,1272 1.639,1273 1.52,1274 0.825,1275 1.557,1276 1.264,1277 1.214,1278 1.569,1279 1.507,1280 0.719,1281 1.534,1282 1.189,1283 1.115,1284 1.513,1285 1.458,1286 0.576,1287 1.478,1288 1.153,1289 1.064,1290 1.459,1291 1.376,1292 0.537,1293 1.429,1294 0.988,1295 0.92,1296 1.218,1297 1.213,1298 0.398,1299 1.241,1300 4.007,1302 5.313,1304 6.81,1306 8.39,1308 10.01,1310 5.913,1315 3.714,1317 3.385,1318 5.323,1321 4.613,1326 30.761,1327 74.903,1328 157.403,1329 204.277,1330 225.928,1331 233.928,1332 233.928,1333 32.45,1334 7.016,1335 27.74,1336 59.83,1337 18,1338 12.224,1339 3.807,1340 3,1341 42.025,1342 101,1343 92,1344 0.205,1345 195.455,1346 337.5,1347 468.671,1348 10195,1350 17.811,1351 0.712,1352 0.636,1353 18.311,1354 15.897,1355 12.046,1356 0.446,1357 0.333,1358 8.502,1359 11.387,1360 8.125,1361 6.805,1362 12.335,1363 8.99,1364 10.872,1365 0.294,1366 0.186,1367 11.243,1368 6.869,1369 8.67,1370 0.188,1371 0.105,1372 9.023,1373 4.819,1374 7.341,1375 0.127,1376 0.061,1377 7.675,1378 3.525,1379 5.356,1380 0.078,1381 0.031,1382 5.549,1383 2.152,1384 0.327,1385 77.836,1386 0.237,1387 24.619,1388 0.545,1389 128,1390 320.219,1391 151.741,1392 336.352,1393 459.75,1394 316,1395 147,1396 325.804,1397 167.229,1398 343.907,1399 494.99,1400 320,1401 4.025}
{0 CHEMBL1328462,1 1.941,2 13.861,3 4.322,4 18.676,5 123.444,6 9.061,7 0.474,8 4.182,9 4.261,10 3.991,11 3.695,12 5.429,13 3.701,14 4.723,15 4.846,16 4.36,17 4.023,18 6.42,19 4.043,20 4.914,21 5.064,22 4.389,23 4.147,24 6.39,25 4.144,26 4.965,27 5.131,28 4.361,29 4.164,30 6.309,31 4.148,32 5.009,33 5.167,34 4.501,35 4.166,36 6.393,37 4.163,38 5.029,39 5.186,40 4.5,41 4.129,42 6.904,43 4.137,44 5.014,45 5.209,46 4.302,47 4.051,48 6.449,49 4.044,50 4.914,51 5.094,52 4.301,53 3.969,54 6.421,55 3.968,56 0.355,57 1.035,58 10.323,59 6.031,60 59.742,61 5.619,62 1.33,63 1.921,64 22.941,65 9.254,66 210.712,67 9.439,68 1.318,69 1.79,70 27.625,71 10.674,72 162.555,73 11.362,74 1.285,75 1.87,76 30.949,77 11.929,78 178.45,79 12.132,80 1.459,81 2.047,82 36.43,83 12.233,84 210.069,85 11.994,86 2.011,87 2.043,88 34.268,89 12.595,90 362.751,91 13.315,92 1.754,93 2.069,94 37.089,95 12.599,96 268.888,97 12.189,98 1.791,99 1.808,100 34.107,101 11.426,102 231.39,103 11.31,104 91,105 55,106 0.315,107 0.646,108 0.781,109 0.854,110 0.865,111 0.87,112 3.615,113 0.954,114 -2.97,115 -2.97,116 -2.87,120 39.7,122 2,125 2,126 1,133 1,143 8,144 1,145 4,147 2,151 1,159 1,174 6,176 2,177 6,180 1,182 5,185 6,188 5,189 9,194 3,197 4,201 10,205 1,206 2,209 3,213 1,214 10,222 3,226 3,227 7,230 3,232 1,235 4,239 3,240 2,243 2,245 1,247 5,251 3,252 4,260 3,263 2,264 9,269 2,271 1,274 2742,275 23.201,276 23.201,277 23.201,278 23.201,279 23.201,280 20.688,281 25.63,282 13.302,283 24.268,284 18.617,285 18.617,286 18.617,287 18.617,288 18.617,289 14.501,290 29.68,291 6.15,292 20.268,293 3.917,294 1.871,295 1.039,296 0.591,297 0.522,298 0.487,299 4.289,307 1,308 1036,309 5,313 415.451,320 2.106,321 82.087,324 0.75,325 0.67,326 0.67,327 0.7,328 0.5,329 0.83,330 1,331 0.73,332 84,333 499,334 4.864,335 5.247,336 7.316,337 4.293,338 3.434,339 4.716,340 3.825,341 12.512,342 2.99,343 4.454,344 4.46,345 7.102,346 4.101,347 3.262,348 4.047,349 2.95,350 11.65,351 2.79,352 4.298,353 3.591,354 6.277,355 3.914,356 2.959,357 3.763,358 1.907,359 9.517,360 2.712,361 4.071,362 3.211,363 5.982,364 3.678,365 2.705,366 3.661,367 0.86,368 8.493,369 2.625,370 3.914,371 2.911,372 5.584,373 3.534,374 2.596,375 3.264,376 0.86,377 7.688,378 2.41,379 3.634,380 2.767,381 5.038,382 3.298,383 2.3,384 2.859,385 0.149,386 6.053,387 2.285,388 3.309,389 2.612,390 4.994,391 2.826,392 1.904,393 2.579,395 5.754,396 1.773,397 3.192,398 2.184,399 4.596,400 2.777,401 1.824,402 2.4,404 4.891,405 1.682,406 2.919,407 2.18,408 4.507,409 2.521,410 1.61,411 2.058,413 4.191,414 1.461,415 2.769,416 1.957,417 4.402,418 2.292,419 1.36,420 1.866,422 4.067,423 1.256,424 2.675,425 1.418,426 4.205,427 2.182,428 1.258,429 1.738,431 3.606,432 1.176,433 2.661,434 1.305,435 3.502,436 2.173,437 1.193,438 1.733,440 2.613,441 1.131,442 2.234,443 1.247,444 3.456,445 2.011,446 1.016,447 1.165,449 2.284,450 1.006,451 1.877,452 0.991,453 3.045,454 1.552,455 0.656,456 0.779,458 1.191,459 0.582,460 1.456,461 0.931,462 2.973,463 1.187,464 0.338,465 0.368,467 0.45,468 0.285,469 16.39,470 0.455,471 1.249,472 0.035,473 47.75,474 1.326,475 24.5,476 0.681,477 23.25,478 0.646,479 30.6,480 0.85,481 41.21,482 0.711,483 46.292,484 1.286,485 9.609,486 0.267,487 7.315,488 0.203,489 0.195,490 0.081,491 0.275,493 3,496 0.663,497 1.081,498 0.743,499 1.232,500 0.673,501 0.961,502 0.661,503 0.869,504 0.822,505 1.069,506 0.499,507 0.909,508 0.775,509 0.797,510 0.942,511 0.969,512 0.786,513 0.976,514 0.991,515 0.987,516 1.05,517 1.06,518 0.966,519 1.028,520 0.973,521 0.944,522 1.005,523 1.142,524 1.054,525 1.019,526 0.699,527 1.164,528 0.916,529 1.141,530 0.688,531 1.058,532 1.332,533 1.174,534 1.12,535 0.981,536 1.446,537 0.991,538 1.087,539 1.171,540 1.083,541 1.07,542 1.23,543 0.994,544 11,545 0.186,546 4.889,547 2.75,548 2.404,549 2.34,550 0.955,551 0.778,552 0.744,553 0.457,554 18616,555 73138,556 1.934,557 37.9,559 16,562 2,563 2,564 2,567 1.776,568 1.756,569 3.689,570 0.286,575 112.594,576 1.941,577 3.987,578 4.819,579 5.267,580 5.336,581 5.371,582 3.207,583 4.871,584 5.138,585 3.933,586 2477.82,587 9.044,588 40235.6,593 339.763,594 1.752,595 5.053,596 0.289,597 0.005,598 0.089,599 0.048,600 0.045,601 0.043,602 0.016,603 0.017,604 0.016,605 0.01,606 0.578,607 0.33,608 0.75,609 0.942,610 197.561,611 -0.043,612 -0.089,613 0.12,614 -0.051,615 -0.118,616 0.012,617 0.222,618 0.164,619 0.106,620 0.002,621 0.313,622 0.046,623 0.02,624 0.05,625 -0.037,626 0.012,627 -0.003,628 -0.028,629 -0.159,630 -0.091,631 -0.077,632 -0.039,633 -0.131,634 -0.043,635 -0.081,636 -0.059,637 0.056,638 -0.082,639 -0.149,640 -0.044,641 0.313,642 -0.141,643 0.102,644 -0.121,645 0.447,646 -0.087,647 -0.201,648 -0.023,649 -0.066,650 0.019,651 -0.231,652 -0.008,653 0.039,654 -0.032,655 0.023,656 -0.019,657 -0.088,658 -0.008,659 6.181,660 5.801,661 0.5,662 44.296,663 1.045,664 1.142,665 1.741,666 3.033,667 0.665,668 3.664,669 4.025,670 4.205,671 4.394,672 4.644,673 4.754,674 4.796,675 4.868,676 4.92,677 4.97,678 8.176,679 0.664,680 525.55,681 3.664,682 5.231,683 6.061,684 6.95,685 7.804,686 8.694,687 9.559,688 10.451,689 11.322,690 12.216,691 5.2,698 1,701 2,709 8,710 2,714 8,716 18,734 1,735 2,738 58,739 21,740 2,741 38,743 60,744 23,745 16,746 5,747 7,752 3,753 3,759 1,765 1,766 2,768 17,769 6,772 3,776 1,778 3,782 1,787 3,789 22,790 12,791 2,792 13,793 1,797 3,803 1,804 6,817 1,823 3,838 1,855 3,857 1,859 2,861 3,862 36,865 1,868 1,869 3,871 1,872 2,876 1,885 3,886 10.3,888 1,889 3,891 2,893 20.5,894 10.945,895 7.847,896 3.1,898 3.003,899 1.395,900 0.941,901 8.568,902 10.609,903 3.932,904 4.559,905 5.039,906 5.556,907 6.122,908 6.4,909 6.731,910 7.02,911 7.314,912 7.602,913 1,914 57,915 14.656,917 7.548,918 8.505,919 23.89,921 19.198,924 3.005,925 108.167,929 235.422,930 144.691,931 51.582,933 134.141,934 44.88,935 6.046,936 138.645,937 369.563,938 96.462,939 21.766,940 23.98,941 81.856,942 150.417,943 88.823,944 0.693,945 235.422,946 7.76,947 235.422,948 190.227,949 179.021,950 6.046,952 211.88,953 202.564,956 37.946,957 118.71,958 39.617,960 280.302,961 185.723,962 144.691,964 6.046,965 243.182,966 33.309,967 97.576,968 18.011,969 212.592,970 235.422,971 230.603,972 144.691,973 0.593,974 0.33,975 0.161,976 0.091,977 24,978 13,979 0.15,980 9,982 1,983 4.428,984 332.287,986 18,987 179.362,992 1,993 27.406,994 11.254,995 7.177,997 230.603,998 10.618,999 7.116,1003 -1.78,1005 60.694,1006 610.716,1007 50,1011 -4.375,1013 37.696,1017 -0.535,1020 60.603,1021 66.258,1022 0.331,1023 0.681,1024 0.823,1025 0.899,1026 0.911,1027 0.917,1028 5.196,1029 1.824,1030 6.12,1031 5.754,1032 4.71,1033 5.247,1034 3.856,1035 6.986,1036 4.548,1037 6.456,1038 1.61,1039 7.733,1040 4.891,1041 4.635,1042 5.38,1043 3.979,1044 8.284,1045 4.286,1046 7.818,1047 1.36,1048 9.461,1049 4.191,1050 6.441,1051 7.542,1052 5.984,1053 11.252,1054 6.08,1055 9.218,1056 1.258,1057 11.258,1058 4.067,1059 7.116,1060 8.424,1061 6.714,1062 13.318,1063 6.532,1064 10.649,1065 1.193,1066 13.099,1067 3.606,1068 8.502,1069 10.17,1070 8.419,1071 15.932,1072 7.884,1073 12.102,1074 1.016,1075 14.972,1076 2.613,1077 9.481,1078 11.383,1079 9.395,1080 18.271,1081 8.648,1082 13.574,1083 0.656,1084 16.867,1085 2.284,1086 10.73,1087 12.981,1088 10.961,1089 20.794,1090 9.823,1091 3.434,1092 0.338,1093 18.78,1094 1.191,1095 11.836,1096 14.352,1097 12.076,1098 23.232,1099 10.732,1100 3.262,1101 12.512,1102 20.705,1103 0.45,1104 13.044,1105 15.897,1106 13.556,1107 25.734,1108 11.834,1109 2.959,1110 11.65,1111 22.641,1112 4.716,1113 14.203,1114 17.348,1115 14.758,1116 28.211,1117 12.815,1118 2.705,1119 9.517,1120 24.584,1121 4.047,1122 15.402,1123 18.877,1124 16.185,1125 30.711,1126 13.886,1127 2.596,1128 8.493,1129 26.534,1130 3.763,1131 16.587,1132 20.369,1133 17.441,1134 33.205,1135 14.904,1136 2.3,1137 7.688,1138 28.489,1139 3.661,1140 17.787,1141 21.897,1142 18.834,1143 35.708,1144 15.966,1145 1.904,1146 6.053,1147 30.448,1148 3.264,1149 18.985,1150 23.412,1151 20.124,1152 38.209,1153 17.004,1154 18434,1155 36823,1156 23.75,1157 38.58,1158 57.178,1159 59.299,1160 59.113,1161 56.964,1162 56.826,1163 73.993,1164 21.103,1165 169.92,1166 52.326,1167 5.799,1168 7.247,1169 6.873,1170 5.417,1171 5.434,1172 7.716,1173 6.775,1174 19.964,1175 4.99,1176 24.345,1177 1.505,1178 1.56,1179 1.556,1180 1.499,1181 1.495,1182 1.947,1183 0.555,1184 4.472,1185 1.377,1186 4.098,1187 4.092,1188 4.74,1189 4.061,1190 8.513,1191 3.983,1192 3.915,1193 3.942,1194 3.934,1195 3.852,1196 7.999,1197 3.829,1198 3.905,1199 3.897,1200 3.857,1201 3.824,1202 7.999,1203 3.81,1204 3.701,1205 3.732,1206 3.709,1207 3.541,1208 7.714,1209 3.554,1210 3.547,1211 3.554,1212 3.504,1213 3.379,1214 7.429,1215 3.368,1216 3.306,1217 3.353,1218 3.286,1219 3.022,1220 6.999,1221 3.061,1222 3.247,1223 3.314,1224 3.051,1225 2.951,1226 6.471,1227 2.96,1228 3.151,1229 3.22,1230 3.016,1231 2.889,1232 4.979,1233 2.905,1234 0.128,1235 0.138,1236 0.193,1237 0.113,1238 0.09,1239 4.864,1240 0.124,1241 5.247,1242 0.101,1243 7.316,1244 0.329,1245 4.293,1246 0.079,1247 3.434,1248 4.716,1249 3.825,1250 12.512,1251 2.99,1252 1.963,1253 1.961,1254 2.005,1255 2.073,1256 1.324,1257 2.081,1258 1.884,1259 1.86,1260 1.992,1261 2.002,1262 1.12,1263 2,1264 1.824,1265 1.832,1266 1.888,1267 1.931,1268 1.05,1269 1.954,1270 1.627,1271 1.59,1272 1.729,1273 1.815,1274 0.871,1275 1.8,1276 1.407,1277 1.409,1278 1.576,1279 1.608,1280 0.703,1281 1.611,1282 1.198,1283 1.135,1284 1.549,1285 1.524,1286 0.574,1287 1.539,1288 1.191,1289 1.115,1290 1.416,1291 1.501,1292 0.564,1293 1.507,1294 1.025,1295 0.974,1296 1.167,1297 1.342,1298 0.272,1299 1.296,1300 4.344,1302 5.694,1304 7.225,1306 8.835,1308 10.489,1310 2.73,1312 40.526,1314 9.437,1315 -1.095,1317 2.493,1318 10.269,1322 -4.931,1326 38.485,1327 112.594,1328 231.234,1329 279.498,1330 305.498,1331 309.498,1332 311.498,1333 135.132,1334 7.606,1335 127.71,1336 136.09,1337 18,1338 12.747,1339 4.459,1340 3.7,1341 73.722,1342 171,1343 188,1344 0.202,1345 239.026,1346 432.74,1347 574.983,1348 21468,1349 5.2,1350 26.51,1351 0.736,1352 0.555,1353 24.26,1354 19.982,1355 16.923,1356 0.445,1357 0.318,1358 10.313,1359 15.113,1360 9.968,1361 8.234,1362 16.533,1363 12.083,1364 16.496,1365 0.3,1366 0.173,1367 15.862,1368 9.512,1369 12.268,1370 0.186,1371 0.098,1372 12.36,1373 6.465,1374 9.493,1375 0.119,1376 0.054,1377 9.955,1378 4.356,1379 7.606,1380 0.074,1381 0.03,1382 8,1383 3.06,1384 0.321,1385 117.611,1386 0.205,1387 33.15,1388 0.544,1389 186,1390 873.644,1391 260.722,1392 763.727,1393 980.62,1394 700,1395 214,1396 648.712,1397 287.232,1398 666.946,1399 984.76,1400 619,1401 5.144}
{0 CHEMBL1329446,1 1.641,2 9.263,3 2.404,4 5.778,5 71.683,6 7.438,7 0.55,8 3.652,9 3.781,10 3.204,11 3.128,12 4.84,13 3.116,14 4.15,15 4.34,16 3.525,17 3.479,18 5.369,19 3.442,20 4.357,21 4.58,22 3.434,23 3.562,24 5.409,25 3.485,26 4.399,27 4.651,28 3.364,29 3.488,30 5.469,31 3.396,32 4.249,33 4.522,34 3.233,35 3.286,36 5.405,37 3.197,38 3.906,39 4.154,40 3.014,41 3.038,42 5.033,43 2.972,44 3.697,45 3.904,46 2.867,47 2.954,48 4.746,49 2.882,50 3.865,51 4.123,52 2.854,53 2.89,54 5.027,55 2.841,56 0.112,57 0.533,58 7.243,59 3.139,60 10.43,61 4.094,62 0.262,63 0.798,64 13.204,65 4.808,66 40.08,67 6.902,68 0.271,69 0.879,70 17.376,71 5.544,72 41.051,73 8.255,74 0.394,75 0.873,76 18.891,77 5.088,78 43.573,79 8.226,80 0.414,81 0.719,82 16.689,83 4.206,84 46.666,85 7.105,86 0.237,87 0.52,88 11.421,89 3.317,90 28.071,91 5.173,92 0.08,93 0.473,94 8.413,95 2.878,96 11.506,97 4.343,98 0.209,99 0.485,100 11.131,101 2.45,102 23.967,103 4.131,104 23,105 27,106 0.303,107 0.652,108 0.771,109 0.792,110 0.792,111 0.792,112 3.009,113 0.924,114 -4.21,115 -4.15,116 -3.93,120 37.1,121 2,122 1,123 1,126 1,143 4,144 2,150 1,159 1,167 3,168 1,172 1,174 9,175 1,176 3,177 4,180 1,182 1,185 11,189 8,190 1,197 9,200 1,201 9,202 2,204 1,209 5,213 2,214 6,215 1,217 2,222 3,226 1,227 4,230 1,235 2,236 1,240 7,245 1,247 2,248 2,252 6,257 2,260 1,261 2,264 2,269 2,271 1,272 1,274 444,275 12.43,276 12.43,277 12.43,278 12.43,279 12.43,280 10.993,281 10.905,282 7.38,283 12.535,284 9.855,285 9.855,286 9.855,287 9.855,288 9.855,289 7.636,290 7.195,291 3.51,292 10.022,293 3.489,294 1.602,295 0.957,296 0.843,297 0.843,298 0.843,299 3.662,305 1,306 1,307 1,308 357,309 3.162,312 56.63,313 64.664,320 1.673,321 18.643,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42,333 176,334 4.317,335 3.598,336 6.196,337 3.923,338 2.948,339 3.983,340 2.341,341 9.259,342 2.881,343 3.995,344 3.031,345 5.896,346 3.685,347 2.696,348 3.512,350 8.107,351 2.659,352 3.641,353 2.869,354 5.315,355 3.35,356 2.363,357 2.921,359 6.821,360 2.322,361 3.487,362 2.401,363 4.628,364 3.109,365 2.108,366 2.679,368 5.085,369 2.088,370 2.847,371 1.605,372 4.285,373 2.488,374 1.517,375 1.948,377 3.963,378 1.469,379 2.5,380 1.177,381 3.712,382 2.078,383 1.095,384 1.5,386 2.704,387 1.074,388 2.385,389 1,390 3.414,391 2,392 1,393 1.359,395 2.275,396 1,397 2.167,398 0.936,399 3.275,400 1.674,401 0.696,402 1.014,404 1.699,405 0.679,406 1.702,407 0.683,408 2.881,409 1.446,410 0.452,411 0.532,413 1.027,414 0.445,415 0.896,416 0.36,417 2.353,418 0.531,419 -0.461,420 -0.586,422 -1.109,423 -0.456,424 0.543,425 -0.318,426 2,427 0.117,428 -0.882,429 -0.985,431 -2,432 -0.815,433 0.5,434 -0.478,435 1.844,437 -1,438 -1,440 -2,441 -0.996,442 0.24,443 -1,444 1.775,446 -1,447 -1.399,449 -2.44,450 -1,451 0.024,452 -1,453 1.319,454 -0.049,455 -1,456 -1.5,458 -3,459 -1,461 -1.202,462 1.035,463 -0.351,464 -1.348,465 -1.647,467 -3.784,468 -1.346,469 8.767,470 0.461,471 0.527,472 0.028,473 22.75,474 1.197,475 11.5,476 0.605,477 11.25,478 0.592,479 13.905,480 0.732,481 21.233,482 0.607,483 15.024,484 0.791,485 4.469,486 0.235,487 4.59,488 0.242,489 0.19,491 0.331,496 0.631,497 1.089,498 0.786,499 1.131,500 0.713,501 1.023,502 0.433,503 1.124,504 0.735,505 1.074,506 0.361,507 0.98,508 0.973,509 1.161,510 1.021,511 1.068,512 0.966,513 1.059,514 0.883,515 1.136,516 1.057,517 1.015,518 0.858,519 1.055,520 0.603,521 0.933,522 0.887,523 0.867,524 0.464,525 0.905,526 0.684,527 0.932,528 0.816,529 0.917,530 0.634,531 0.885,532 0.683,533 1.459,534 0.996,535 1.372,536 0.576,537 1.258,538 1.271,539 0.956,540 1.139,541 0.909,542 0.907,543 0.939,544 4.5,545 0.058,546 2.222,547 0.847,548 0.837,549 0.577,550 0.319,551 0.2,552 0.194,553 0.076,554 3243,555 9766,556 1.965,557 45.7,558 7,559 6,562 1,563 2,567 1.597,568 1.81,569 3.198,570 -0.198,572 1,573 1,574 1,575 57.419,576 1.641,577 3.528,578 4.172,579 4.286,580 4.286,581 4.286,582 2.695,583 3.682,584 4.212,585 3.362,586 574.958,587 7.148,588 5797.31,589 1,590 1,592 1,593 179.525,594 1.509,595 4.159,596 0.225,597 0.012,598 0.082,599 0.035,600 0.04,601 0.032,602 0.021,603 0.015,604 0.016,605 0.009,606 0.488,607 0.5,608 1,609 1.486,610 84.03,611 0.122,612 0.19,613 0.041,614 0.008,615 -0.054,616 -0.009,617 0.29,618 0.014,619 0.149,620 -0.009,621 0.273,622 0.029,623 -0.143,624 -0.14,625 -0.094,626 -0.046,627 -0.14,628 -0.062,629 -0.024,630 -0.144,631 -0.094,632 -0.076,633 -0.104,634 -0.099,635 0.233,636 0.032,637 0.1,638 0.033,639 0.205,640 0.042,641 0.176,642 0.048,643 0.151,644 0.048,645 0.155,646 0.094,647 -0.034,648 -0.375,649 -0.112,650 -0.325,651 -0.015,652 -0.247,653 -0.248,654 0.055,655 -0.139,656 -0.055,657 -0.035,658 -0.045,659 2.542,660 3.461,661 0.579,662 16.886,663 1.01,664 1.14,665 2.983,666 8.897,667 0.643,668 3.045,669 3.332,670 3.497,671 3.664,672 3.807,673 3.892,674 3.951,675 3.892,676 3.892,677 3.761,678 5.558,679 0.619,680 260.33,681 3.045,682 4.554,683 5.361,684 6.209,685 7.041,686 7.893,687 8.737,688 9.592,689 10.442,690 11.299,691 11.4,699 1,701 3,709 4,710 3,714 3,715 1,716 11,738 35,739 12,740 1,741 20,743 36,744 13,745 7,746 2,747 4,752 2,753 2,759 2,766 1,768 8,769 5,770 1,772 1,778 1,782 1,785 1,786 1,789 16,790 5,791 1,792 6,797 4,803 1,804 2,822 1,823 1,840 1,853 1,855 2,859 2,862 19,868 1,869 2,874 1,886 5.7,888 1,889 1,893 10.5,894 6.833,895 4.222,896 2.155,898 2.133,899 1.345,900 0.9,901 4.152,902 8.315,903 3.314,904 3.866,905 4.358,906 4.886,907 5.302,908 5.598,909 5.946,910 6.183,911 6.46,912 6.495,913 1,914 24,915 6.967,917 2.849,918 7.974,919 13.065,921 10.216,924 2.474,925 47,926 0.001,929 176.567,930 69.805,931 51.521,933 67.828,936 69.805,937 244.395,938 51.521,939 17.65,940 4.64,941 37.905,942 118.605,943 10.353,945 176.567,947 176.567,948 121.325,949 67.828,952 178.894,953 67.828,956 23.945,957 45.186,958 49.867,960 176.567,961 119.349,962 69.805,965 176.567,966 14.249,967 57.209,969 117.695,970 176.567,971 119.349,972 69.805,973 0.579,974 0.308,975 0.147,976 0.08,977 12,978 6,979 0.139,980 5,982 1,983 3.169,984 127.999,986 11,987 74.711,993 13.534,994 5.829,995 3.535,997 117.695,998 7.984,999 11.92,1003 2.647,1004 1.305,1005 42.683,1006 365.72,1007 26.5,1013 10.461,1017 -0.875,1020 35.363,1021 39.903,1022 0.32,1023 0.688,1024 0.813,1025 0.836,1026 0.836,1027 0.836,1028 4.519,1029 0.696,1030 5.342,1031 2.275,1032 4.007,1033 4.549,1034 2.258,1035 6.084,1036 3.973,1037 5.714,1038 0.452,1039 6.868,1040 1.699,1041 3.611,1042 4.29,1043 2.243,1044 6.887,1045 3.556,1046 6.999,1047 -0.461,1048 8.489,1049 1.027,1050 5.541,1051 6.663,1052 3.628,1053 9.88,1054 5.47,1055 8.318,1056 -0.882,1057 10.164,1058 -1.109,1059 5.916,1060 7.198,1061 4.112,1062 11.482,1063 5.821,1064 9.665,1065 -1,1066 11.874,1067 -2,1068 7.341,1069 9.05,1070 5.201,1071 13.979,1072 7.231,1073 11.031,1074 -1,1075 13.606,1076 -2,1077 8.06,1078 9.96,1079 5.889,1080 15.911,1081 7.924,1082 12.412,1083 -1,1084 15.356,1085 -2.44,1086 9.278,1087 11.577,1088 6.849,1089 18.228,1090 9.125,1091 2.948,1092 -1.348,1093 17.117,1094 -3,1095 10.164,1096 12.688,1097 7.625,1098 20.307,1099 9.985,1100 2.696,1101 9.259,1102 18.888,1103 -3.784,1104 11.291,1105 14.187,1106 8.526,1107 22.555,1108 11.094,1109 2.363,1110 8.107,1111 20.666,1112 3.983,1113 12.263,1114 15.411,1115 9.342,1116 24.702,1117 12.04,1118 2.108,1119 6.821,1120 22.449,1121 3.512,1122 13.35,1123 16.849,1124 10.216,1125 26.925,1126 13.107,1127 1.517,1128 5.085,1129 24.237,1130 2.921,1131 14.366,1132 18.136,1133 11.051,1134 29.105,1135 14.098,1136 1.095,1137 3.963,1138 26.028,1139 2.679,1140 15.437,1141 19.543,1142 11.912,1143 31.321,1144 15.148,1145 1,1146 2.704,1147 27.823,1148 1.948,1149 16.477,1150 20.868,1151 12.755,1152 33.518,1153 16.162,1154 3361,1155 5998,1156 12.83,1157 22.5,1158 30.231,1159 30.299,1160 30.602,1161 29.775,1162 29.751,1163 38.898,1164 4.682,1165 81.882,1166 29.232,1167 5.128,1168 5.598,1169 5.61,1170 4.923,1171 4.948,1172 6.983,1173 3.925,1174 15.564,1175 4.881,1176 11.002,1177 1.512,1178 1.515,1179 1.53,1180 1.489,1181 1.488,1182 1.945,1183 0.234,1184 4.094,1185 1.462,1186 4.005,1187 4.056,1188 3.962,1189 3.913,1190 7.474,1191 3.912,1192 3.796,1193 3.864,1194 3.732,1195 3.549,1196 6.351,1197 3.585,1198 3.554,1199 3.6,1200 3.46,1201 3.396,1202 5.193,1203 3.39,1204 3.412,1205 3.47,1206 3.276,1207 3.142,1208 4.685,1209 3.184,1210 2.935,1211 3.009,1212 2.802,1213 2.735,1214 4.122,1215 2.715,1216 2.874,1217 2.976,1218 2.687,1219 2.663,1220 3.847,1221 2.692,1222 2.854,1223 2.925,1224 2.499,1225 2.618,1226 3.674,1227 2.57,1228 2.625,1229 2.694,1230 2.482,1231 2.39,1232 3.645,1233 2.412,1234 0.216,1235 0.18,1236 0.31,1237 0.196,1238 0.147,1239 4.317,1240 0.199,1241 3.598,1242 0.117,1243 6.196,1244 0.463,1245 3.923,1246 0.144,1247 2.948,1248 3.983,1249 2.341,1250 9.259,1251 2.881,1252 1.947,1253 1.92,1254 2.072,1255 2.027,1256 1.257,1257 2.042,1258 1.622,1259 1.565,1260 1.831,1261 1.889,1262 1.09,1263 1.865,1264 1.547,1265 1.487,1266 1.796,1267 1.718,1268 0.927,1269 1.748,1270 1.097,1271 1.042,1272 1.417,1273 1.496,1274 0.469,1275 1.404,1276 1.029,1277 0.964,1278 1.223,1279 1.321,1280 0.273,1281 1.308,1282 0.934,1283 0.821,1284 1.181,1285 1.239,1286 0.218,1287 1.274,1288 0.886,1289 0.804,1290 1.147,1291 1.062,1292 0.203,1293 1.107,1294 0.533,1295 0.449,1296 0.767,1297 0.991,1299 0.943,1300 3.714,1302 5.004,1303 2.398,1304 6.463,1305 4.595,1306 7.997,1307 6.581,1308 9.575,1310 4.269,1314 8.592,1315 0.217,1320 0.48,1326 21.676,1327 57.419,1328 123.471,1329 146.015,1330 150.015,1331 150.015,1332 150.015,1333 32.005,1334 6.182,1335 80.9,1336 80.9,1337 11,1338 11.853,1339 3.7,1340 2.907,1341 33.911,1342 62,1343 58,1344 0.274,1345 138.289,1346 232.68,1347 329.186,1348 3199,1350 13.828,1351 0.728,1352 0.576,1353 13.828,1354 10.945,1355 9.059,1356 0.453,1357 0.308,1358 6.065,1359 8.624,1360 5.868,1361 4.932,1362 9.059,1363 6.159,1364 8.329,1365 0.308,1366 0.171,1367 8.329,1368 4.629,1369 6.16,1370 0.193,1371 0.088,1372 6.16,1373 2.814,1374 4.656,1375 0.123,1376 0.044,1377 4.656,1378 1.666,1379 3.48,1380 0.079,1381 0.023,1382 3.48,1383 1.011,1384 0.432,1385 57.435,1386 0.279,1387 19.357,1388 0.738,1389 94,1390 314.466,1391 106.171,1392 303.143,1393 405.59,1394 280,1395 106,1396 302.123,1397 117.705,1398 300.275,1399 427.62,1400 281,1401 6.796}
{0 CHEMBL1329504,1 1.453,2 10.609,3 4.979,4 24.79,5 90.872,6 8.318,7 0.72,8 3.755,9 3.824,10 3.596,11 3.459,12 4.862,13 3.392,14 4.244,15 4.347,16 3.883,17 3.805,18 5.589,19 3.733,20 4.482,21 4.617,22 3.93,23 3.899,24 5.724,25 3.803,26 4.524,27 4.694,28 3.724,29 3.773,30 5.81,31 3.68,32 4.333,33 4.512,34 3.581,35 3.658,36 5.522,37 3.57,38 4.217,39 4.386,40 3.457,41 3.612,42 5.417,43 3.482,44 4.226,45 4.452,46 3.254,47 3.45,48 5.267,49 3.3,50 3.901,51 4.087,52 3.202,53 3.216,54 5.043,55 3.096,56 0.053,57 0.456,58 8.926,59 4.163,60 13.069,61 4.449,62 0.132,63 0.734,64 13.027,65 6.52,66 38.505,67 7.365,68 0.148,69 0.974,70 22.278,71 9.187,72 28.746,73 9.541,74 0.327,75 1.01,76 24.881,77 9.306,78 64.635,79 9.484,80 0.258,81 0.817,82 17.545,83 7.129,84 52.225,85 8.077,86 0.264,87 0.749,88 16.367,89 6.954,90 32.789,91 8.354,92 0.191,93 0.759,94 16.726,95 6.819,96 42.856,97 8.224,98 0.097,99 0.554,100 13.406,101 5.265,102 18.414,103 5.795,104 10,105 35,106 0.255,107 0.446,108 0.56,109 0.722,110 0.789,111 0.789,112 3.188,113 1.042,114 -5.63,115 -5.5,116 -5.13,120 48.7,121 1,143 13,144 1,145 4,174 11,176 1,177 4,185 12,189 12,197 8,201 9,209 8,214 2,222 16,226 2,227 2,235 12,240 2,247 6,252 6,260 2,264 5,271 4,274 708,275 15.341,276 15.341,277 15.341,278 15.341,279 15.341,280 12.903,281 13.212,282 9.077,283 15.752,284 12.331,285 12.331,286 12.331,287 12.331,288 12.331,289 8.753,290 13.111,291 4.323,292 13.062,293 3.832,294 2.743,295 2.093,296 1.167,297 0.789,298 0.789,299 3.867,306 1,307 1,308 523,309 3.082,313 246.838,320 1.8,321 26.641,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 49,333 244,334 4.969,335 5.351,336 7.666,337 4.375,338 3.511,339 4.863,340 2.95,341 13.611,342 2.999,343 4.035,344 3.15,345 5.659,346 3.614,347 2.679,348 3.606,349 0.86,350 7.737,351 2.506,352 3.876,353 3.017,354 5.521,355 3.436,356 2.451,357 3.447,359 6.833,360 2.403,361 3.73,362 2.515,363 5.062,364 3.252,365 2.272,366 3.272,368 6.158,369 2.217,370 3.257,371 2.341,372 4.968,373 2.825,374 1.869,375 2.534,377 5.582,378 1.768,379 2.944,380 1.57,381 4.216,382 2.427,383 1.448,384 2.104,386 3.743,387 1.412,388 2.822,389 1.366,390 3.589,391 2.274,392 1.283,393 1.942,395 3.015,396 1.268,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 1.38,425 0.761,426 3.015,427 0.996,428 0.083,429 0.103,431 0.214,432 0.075,433 1.119,434 0.282,435 2.727,436 0.753,437 -0.225,438 -0.284,440 -0.496,441 -0.217,442 1,443 -0.051,444 2.488,445 0.375,446 -0.574,447 -0.77,449 -1.31,450 -0.533,451 0.835,452 -0.411,453 2,455 -1,456 -1.5,458 -2.347,459 -1,460 0.5,461 -0.591,462 2,464 -1,465 -1.5,467 -2.814,468 -1,469 11.333,470 0.493,471 0.618,472 0.027,473 35,474 1.522,475 21.5,476 0.935,477 13.5,478 0.587,479 13.636,480 0.593,481 23.467,482 0.602,483 24.691,484 1.074,485 6.928,486 0.301,487 4.125,488 0.179,489 0.103,490 0.074,491 0.221,496 0.494,497 1.001,498 0.822,499 1.096,500 0.669,501 0.87,502 0.728,503 1.04,504 0.802,505 0.978,506 0.621,507 0.94,508 1.227,509 1.183,510 1.286,511 1.255,512 0.873,513 1.067,514 1.721,515 0.989,516 1.284,517 1.05,518 1.714,519 0.974,520 1.298,521 0.827,522 0.832,523 0.783,524 1.634,525 0.879,526 0.367,527 1.156,528 1.122,529 1.21,530 0.461,531 1.18,532 1.049,533 0.906,534 0.863,535 0.837,536 1.239,537 0.973,538 1.09,539 1.086,540 1.165,541 1.146,542 0.776,543 0.988,544 5.5,545 0.041,546 3.111,547 1.688,548 1.036,549 0.611,550 0.402,551 0.347,552 0.185,553 0.136,554 5935,555 16386,556 2.057,557 41,558 3,559 13,567 1.653,568 1.93,569 3.36,570 -0.815,575 56.665,576 1.453,577 2.543,578 3.193,579 4.118,580 4.497,581 4.497,582 2.947,583 3.795,584 4.492,585 3.512,586 888.426,587 7.712,588 10180.5,590 1,593 206.131,594 1.495,595 4.448,596 0.22,597 0.003,598 0.089,599 0.048,600 0.036,601 0.024,602 0.017,603 0.02,604 0.012,605 0.009,606 0.478,607 0.5,608 0.88,609 0.58,610 108.586,611 0.12,612 -0.023,613 0.218,614 -0.035,615 -0.166,616 0.035,617 0.173,618 -0.084,619 0.099,620 -0.023,621 0.218,622 -0.042,623 -0.089,624 -0.181,625 -0.114,626 -0.164,627 0.058,628 -0.122,629 -0.243,630 0.012,631 -0.17,632 -0.021,633 -0.135,634 -0.025,635 -0.151,636 0.13,637 0.018,638 0.109,639 -0.249,640 0.066,641 0.352,642 -0.187,643 -0.145,644 -0.218,645 0.188,646 -0.199,647 -0.087,648 0.062,649 0.054,650 0.093,651 -0.15,652 0.037,653 -0.03,654 -0.078,655 0.019,656 -0.057,657 0.099,658 0.016,659 4.418,660 5.574,661 0.783,662 20.866,663 1.003,664 1.099,665 4.401,666 19.369,667 0.721,668 3.258,669 3.584,670 3.807,671 3.97,672 4.174,673 4.174,674 4.205,675 4.234,676 4.234,677 4.29,678 6.112,679 0.681,680 324.42,681 3.258,682 4.796,683 5.631,684 6.5,685 7.354,686 8.229,687 9.091,688 9.969,689 10.835,690 11.717,709 13,714 5,716 18,735 1,738 39,739 20,740 3,741 25,743 41,744 19,745 18,746 5,747 13,752 3,753 3,759 1,768 18,769 1,772 2,776 1,778 2,789 16,790 3,792 4,793 1,803 1,804 3,823 3,855 3,857 1,859 1,862 23,865 1,872 1,886 7.7,889 2,891 1,893 11.917,894 7.25,895 5,896 2.194,898 3.094,899 1.457,900 1.006,901 4.287,902 9.862,903 3.611,904 4.256,905 4.79,906 5.288,907 5.82,908 5.977,909 6.255,910 6.506,911 6.832,912 7.187,913 1,914 35,915 8.706,917 3.921,918 7.88,919 16.107,921 13.261,924 2.38,925 54.75,929 188.338,930 154.836,933 55.313,935 6.046,936 148.79,937 243.65,939 8.825,941 129.237,942 44.313,943 27.774,945 188.338,947 188.338,948 148.79,949 55.313,950 6.046,952 188.338,953 55.313,956 8.825,957 139.965,958 6.046,960 188.338,961 55.313,962 154.836,964 6.046,965 188.338,966 16.774,967 132.016,969 55.313,970 188.338,971 55.313,972 154.836,973 0.586,974 0.334,975 0.164,976 0.089,977 17,978 7,979 0.098,980 4,982 1,983 3.563,984 178.172,986 18,987 90.042,992 1,993 15.479,994 6.371,995 3.502,997 55.313,998 22.635,1003 2.873,1006 398.487,1007 36,1011 -3.501,1013 25.148,1020 39.127,1021 42.87,1022 0.275,1023 0.481,1024 0.604,1025 0.779,1026 0.851,1027 0.851,1028 4.824,1029 1,1030 5.645,1031 3.015,1032 4.263,1033 4.942,1034 2.99,1035 6.488,1036 4.141,1037 6.072,1038 1,1039 7.238,1040 2.275,1041 4.007,1042 4.945,1044 7.789,1045 3.671,1046 7.421,1047 1,1048 8.96,1049 2.275,1050 5.938,1051 7.272,1052 5.034,1053 10.847,1054 5.606,1055 8.82,1056 0.083,1057 10.771,1058 2.136,1059 6.538,1060 8.134,1062 13.06,1063 5.919,1064 10.26,1065 -0.225,1066 12.643,1067 0.214,1068 7.998,1069 9.976,1070 7.185,1071 15.781,1072 7.366,1073 11.732,1074 -0.574,1075 14.561,1076 -0.496,1077 8.976,1078 11.23,1080 18.278,1081 8.05,1082 13.231,1083 -1,1084 16.512,1085 -1.31,1086 10.28,1087 12.897,1088 9.348,1089 20.921,1090 9.289,1091 3.511,1092 -1,1093 18.487,1094 -2.347,1095 11.42,1096 14.333,1098 23.498,1099 10.164,1100 2.679,1101 13.611,1102 20.48,1103 -2.814,1104 12.678,1105 15.938,1106 11.511,1107 26.119,1108 11.311,1109 2.451,1110 7.737,1111 22.485,1112 4.863,1113 13.885,1114 17.455,1116 28.719,1117 12.287,1118 2.272,1119 6.833,1120 24.499,1121 3.606,1122 15.134,1123 19.041,1124 13.675,1125 31.334,1126 13.395,1127 1.869,1128 6.158,1129 26.519,1130 3.447,1131 16.368,1132 20.594,1134 33.941,1135 14.424,1136 1.448,1137 5.582,1138 28.545,1139 3.272,1140 17.617,1141 22.174,1142 15.838,1143 36.553,1144 15.518,1145 1.283,1146 3.743,1147 30.573,1148 2.534,1149 18.863,1150 23.743,1152 39.163,1153 16.577,1154 5742,1155 9702,1156 16.583,1157 28.102,1158 37.466,1159 38.837,1160 37.942,1161 37.278,1162 37.194,1163 52.742,1164 7.62,1165 107.155,1166 35.295,1167 5.751,1168 7.351,1169 7.468,1170 5.498,1171 5.511,1172 7.863,1173 5.9,1174 21.571,1175 4.999,1176 10.143,1177 1.499,1178 1.553,1179 1.518,1180 1.491,1181 1.488,1182 2.11,1183 0.305,1184 4.286,1185 1.412,1186 4.132,1187 4.105,1188 4.754,1189 4.155,1190 7.715,1191 4.062,1192 3.9,1193 3.92,1194 3.85,1195 3.825,1196 6.999,1197 3.823,1198 3.808,1199 3.837,1200 3.75,1201 3.758,1202 4.931,1203 3.746,1204 3.537,1205 3.51,1206 3.633,1207 3.475,1208 4.705,1209 3.406,1210 3.05,1211 3.121,1212 2.881,1213 2.885,1214 4.646,1215 2.864,1216 2.908,1217 2.933,1218 2.817,1219 2.739,1220 4.137,1221 2.734,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.821,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.199,1235 0.214,1236 0.307,1237 0.175,1238 0.14,1239 4.969,1240 0.195,1241 5.351,1242 0.118,1243 7.666,1244 0.544,1245 4.375,1246 0.12,1247 3.511,1248 4.863,1249 2.95,1250 13.611,1251 2.999,1252 2.031,1253 2.049,1254 2.04,1255 2.073,1256 1.268,1257 2.114,1258 1.885,1259 1.863,1260 2.006,1261 1.981,1262 1.069,1263 1.99,1264 1.816,1265 1.789,1266 1.931,1267 1.892,1268 1.025,1269 1.914,1270 1.407,1271 1.432,1272 1.524,1273 1.534,1274 0.697,1275 1.585,1276 1.041,1277 0.982,1278 1.181,1279 1.263,1280 0.366,1281 1.307,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.12,1297 1.062,1298 0.218,1299 1.107,1300 3.932,1302 5.252,1304 6.779,1306 8.389,1308 10.041,1310 1.923,1318 5.673,1326 26.546,1327 56.665,1328 99.164,1329 124.515,1330 160.621,1331 175.376,1332 175.376,1333 42.104,1334 6.768,1335 43.37,1336 51.75,1337 18,1338 12.255,1339 4.392,1340 3.585,1341 37.05,1342 84,1343 80,1344 0.218,1345 167.618,1346 288.6,1347 400.748,1348 7221,1350 16.286,1351 0.708,1352 0.585,1353 16.536,1354 13.455,1355 11.054,1356 0.442,1357 0.347,1358 7.279,1359 10.022,1360 6.931,1361 5.8,1362 11.842,1363 8.686,1364 10.236,1365 0.292,1366 0.204,1367 11.554,1368 7.153,1369 8.358,1370 0.19,1371 0.119,1372 9.699,1373 5.23,1374 6.374,1375 0.123,1376 0.066,1377 7.451,1378 3.426,1379 5.039,1380 0.079,1381 0.039,1382 5.964,1383 2.469,1384 0.344,1385 76.025,1386 0.246,1387 22.847,1388 0.589,1389 120,1390 360.067,1391 167.848,1392 371.52,1393 505.35,1394 342,1395 139,1396 346.026,1397 192.828,1398 388.153,1399 562.12,1400 364,1401 4.669}
{0 CHEMBL1329798,1 1.568,2 9.4,3 3.061,4 9.372,5 75.513,6 8.871,7 0.571,8 3.604,9 3.674,10 3.287,11 3.18,12 4.874,13 3.176,14 4.058,15 4.158,16 3.633,17 3.527,18 5.426,19 3.501,20 4.273,21 4.407,22 3.746,23 3.619,24 5.554,25 3.571,26 4.337,27 4.516,28 3.571,29 3.497,30 5.55,31 3.428,32 4.174,33 4.355,34 3.437,35 3.34,36 5.431,37 3.264,38 3.98,39 4.14,40 3.285,41 3.203,42 5.352,43 3.133,44 3.781,45 3.941,46 3.182,47 3.192,48 4.907,49 3.096,50 3.805,51 3.991,52 3.155,53 3.089,54 5.038,55 3.009,56 0.126,57 0.383,58 5.038,59 3.115,60 18.264,61 3.246,62 0.315,63 0.591,64 9.571,65 4.995,66 45.257,67 5.383,68 0.339,69 0.72,70 14.889,71 6.462,72 26.054,73 7.288,74 0.501,75 0.733,76 18.909,77 6.799,78 61.032,79 7.533,80 0.47,81 0.6,82 21.278,83 6.087,84 60.056,85 6.959,86 0.624,87 0.499,88 13.801,89 4.61,90 65.749,91 5.067,92 0.201,93 0.433,94 11.098,95 4.184,96 22.183,97 4.944,98 0.219,99 0.44,100 11.298,101 4.189,102 29.103,103 5.039,104 21,105 28,106 0.293,107 0.64,108 0.763,109 0.908,110 0.919,111 0.919,112 3.056,113 0.903,114 -4.14,115 -4.09,116 -3.86,120 45.5,126 2,143 7,144 3,145 2,159 1,168 1,172 1,174 9,175 1,177 3,180 1,182 2,185 9,186 2,189 7,194 4,197 6,198 2,201 5,206 3,209 2,210 1,214 2,215 1,219 2,222 5,226 1,230 2,235 9,247 9,248 1,252 1,257 2,260 5,261 3,264 3,269 5,271 1,272 1,274 468,275 13.301,276 13.301,277 13.301,278 13.301,279 13.301,280 11.656,281 14.904,282 7.855,283 13.552,284 10.272,285 10.272,286 10.272,287 10.272,288 10.272,289 7.754,290 16.903,291 3.629,292 10.749,293 3.476,294 1.615,295 0.959,296 0.182,297 0.121,298 0.121,299 3.714,303 1,305 1,306 1,307 1,308 385,309 2.915,313 139.892,320 1.44,321 27.462,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44.333,333 188,334 4.248,335 3.579,336 6.073,337 3.833,338 2.881,339 3.893,340 1.437,341 8.775,342 2.808,343 4.186,344 3.292,345 5.973,346 3.779,347 2.803,348 3.787,349 1.151,350 8.454,351 2.649,352 3.635,353 2.811,354 5.262,355 3.298,356 2.318,357 2.942,358 0.765,359 6.622,360 2.265,361 3.516,362 2.599,363 5.192,364 3.151,365 2.185,366 2.827,368 6.379,369 2.074,370 2.881,371 2.165,372 4.191,373 2.414,374 1.503,375 2.004,377 3.805,378 1.371,379 2.813,380 1.834,381 3.781,382 2.324,383 1.353,384 1.919,386 3.066,387 1.231,388 2.53,389 1.268,390 3.437,391 2.005,392 1,393 1.475,395 2.324,396 0.994,397 2.017,398 1.162,399 3.255,400 1.715,401 0.813,402 0.948,404 1.8,405 0.721,406 1.583,407 0.936,408 2.822,409 1.32,410 0.429,411 0.481,413 0.702,414 0.376,415 1.121,416 0.451,417 2.471,418 0.738,419 -0.116,420 -0.138,422 -0.247,423 -0.085,424 0.797,425 0.431,426 2.197,427 0.336,428 -0.59,429 -0.749,431 -1.43,432 -0.48,433 0.7,434 -0.138,435 2,436 0.232,437 -0.725,438 -0.931,440 -1.704,441 -0.68,442 0.586,443 -0.439,444 1.843,445 0.15,446 -0.828,447 -1.065,449 -2,450 -0.804,451 0.409,452 -0.679,453 1.574,454 -0.018,455 -1,456 -1.43,458 -2.273,459 -0.981,460 -0.004,461 -0.916,462 1.368,463 -0.328,464 -1.261,465 -1.563,467 -3.408,468 -1.116,469 9.548,470 0.477,471 0.489,472 0.024,473 26,474 1.3,475 14,476 0.7,477 12,478 0.6,479 13.266,480 0.663,481 21.652,482 0.656,483 18.161,484 0.908,485 5.536,486 0.277,487 4.061,488 0.203,489 0.18,491 0.314,496 0.847,497 0.973,498 0.609,499 0.848,500 0.845,501 0.806,502 0.82,503 1.001,504 0.719,505 0.886,506 0.62,507 0.909,508 0.777,509 1.27,510 0.903,511 1.227,512 0.633,513 1.153,514 1.215,515 1.046,516 1.014,517 0.97,518 1.077,519 1.016,520 1.064,521 0.982,522 1.47,523 1.211,524 0.956,525 1.087,526 1.019,527 0.615,528 1.053,529 0.638,530 1.066,531 0.834,532 0.748,533 1.008,534 1.233,535 1.07,536 0.601,537 1.082,538 0.806,539 1.029,540 0.95,541 0.985,542 0.899,543 0.957,544 4.5,545 0.078,546 2.222,547 1.063,548 1.076,549 0.59,550 0.163,551 0.259,552 0.213,553 0.086,554 3717,555 14298,556 1.966,557 39.4,559 11,562 2,567 1.614,568 1.818,569 3.225,570 0.361,572 1,574 1,575 51.756,576 1.568,577 3.429,578 4.085,579 4.863,580 4.923,581 4.923,582 2.69,583 3.822,584 4.295,585 3.355,586 637.384,587 7.316,588 6686.42,589 1,590 1,591 1,592 1,593 166.465,594 1.485,595 4.237,596 0.214,597 0.013,598 0.079,599 0.038,600 0.049,601 0.031,602 0.01,603 0.016,604 0.014,605 0.007,606 0.472,607 0.5,608 1,609 1.013,610 89.936,611 -0.115,612 0.082,613 -0.021,614 0.082,615 -0.155,616 0.061,617 0.001,618 0.025,619 -0.018,620 0.053,621 0.08,622 -0.012,623 0.023,624 -0.282,625 -0.019,626 -0.264,627 0.037,628 -0.203,629 -0.186,630 -0.09,631 -0.035,632 -0.006,633 -0.142,634 -0.037,635 -0.064,636 -0.053,637 -0.147,638 -0.184,639 -0.05,640 -0.066,641 0.139,642 0.352,643 -0.046,644 0.333,645 -0.022,646 0.121,647 -0.073,648 -0.032,649 -0.126,650 -0.049,651 -0.044,652 -0.068,653 -0.029,654 -0.066,655 0.082,656 0.011,657 -0.023,658 0.07,659 2.641,660 3.866,661 0.6,662 14.54,663 1.025,664 1.112,665 2.912,666 8.478,667 0.697,668 3.091,669 3.367,670 3.555,671 3.689,672 3.871,673 3.784,674 3.738,675 3.689,676 3.784,677 3.784,678 5.578,679 0.678,680 292.73,681 3.091,682 4.595,683 5.407,684 6.248,685 7.077,686 7.919,687 8.753,688 9.595,689 10.431,690 11.272,709 7,714 5,716 12,725 1,735 1,737 1,738 33,739 13,740 2,741 21,743 34,744 15,745 12,746 5,747 7,748 1,752 2,753 2,754 1,759 1,768 13,769 2,772 1,778 1,782 1,785 1,786 1,789 13,790 4,791 2,792 5,793 1,803 1,804 4,805 1,823 2,853 2,855 2,860 1,862 20,868 2,869 2,872 1,885 1,886 12.1,887 1,888 1,889 1,891 1,893 11,894 5.71,895 4.556,896 1.727,898 2.324,899 1.372,900 0.9,901 4.874,902 8.564,903 3.367,904 3.932,905 4.437,906 4.902,907 5.397,908 5.372,909 5.48,910 5.528,911 5.962,912 6.32,913 1,914 28,915 7.345,917 3.066,918 8.181,919 13.453,921 10.522,924 2.681,925 53.611,929 129.482,930 90.137,932 39.149,933 121.512,936 90.137,937 290.142,940 4.592,941 109.017,942 68.738,943 29.301,945 129.482,946 39.149,947 129.482,948 90.137,949 121.512,950 39.149,952 129.482,953 78.828,954 42.683,956 4.592,957 85.544,958 39.149,960 129.482,961 121.512,962 129.285,965 129.482,966 23.803,967 66.334,969 160.66,970 129.482,971 121.512,972 129.285,973 0.574,974 0.331,975 0.16,976 0.088,977 12,978 6,979 0.147,980 5,982 1,983 3.238,984 137.725,986 12,987 86.439,993 14.69,994 6.635,995 3.889,997 121.512,998 11.544,1003 2.561,1005 85.367,1006 380.279,1007 28,1013 10.866,1017 -0.975,1020 33.818,1021 36.688,1022 0.311,1023 0.68,1024 0.81,1025 0.964,1026 0.976,1027 0.976,1028 4.564,1029 0.813,1030 5.38,1031 2.324,1032 4.043,1033 4.615,1034 2.191,1035 6.12,1036 3.955,1037 5.764,1038 0.429,1039 6.907,1040 1.8,1041 3.611,1042 4.388,1044 6.905,1045 3.464,1046 7.056,1047 -0.116,1048 8.529,1049 0.702,1050 5.58,1051 6.764,1052 2.618,1053 9.898,1054 5.428,1055 8.382,1056 -0.59,1057 10.203,1058 -0.247,1059 5.916,1060 7.286,1062 11.438,1063 5.698,1064 9.733,1065 -0.725,1066 11.909,1067 -1.43,1068 7.37,1069 9.168,1070 3.163,1071 13.936,1072 7.151,1073 11.103,1074 -0.828,1075 13.635,1076 -1.704,1077 8.06,1078 10.045,1080 15.796,1081 7.775,1082 12.487,1083 -1,1084 15.376,1085 -2,1086 9.291,1087 11.697,1088 3.777,1089 18.101,1090 9,1091 2.881,1092 -1.261,1093 17.127,1094 -2.273,1095 10.157,1096 12.768,1098 20.112,1099 9.806,1100 2.803,1101 8.775,1102 18.886,1103 -3.408,1104 11.286,1105 14.295,1106 4.433,1107 22.335,1108 10.922,1109 2.318,1110 8.454,1111 20.65,1112 3.893,1113 12.24,1114 15.478,1116 24.42,1117 11.824,1118 2.185,1119 6.622,1120 22.42,1121 3.787,1122 13.323,1123 16.934,1124 5.115,1125 26.607,1126 12.887,1127 1.503,1128 6.379,1129 24.193,1130 2.942,1131 14.322,1132 18.182,1134 28.728,1135 13.841,1136 1.353,1137 3.805,1138 25.97,1139 2.827,1140 15.383,1141 19.596,1142 5.813,1143 30.9,1144 14.878,1145 1,1146 3.066,1147 27.749,1148 2.004,1149 16.405,1150 20.884,1152 33.04,1153 15.861,1154 3805,1155 7535,1156 13.523,1157 23.006,1158 30.822,1159 31.881,1160 31.973,1161 30.709,1162 30.57,1163 40.551,1164 6.704,1165 83.855,1166 28.98,1167 5.08,1168 5.579,1169 5.627,1170 4.885,1171 4.881,1172 6.893,1173 2.873,1174 15.029,1175 4.808,1176 11.138,1177 1.468,1178 1.518,1179 1.523,1180 1.462,1181 1.456,1182 1.931,1183 0.319,1184 3.993,1185 1.38,1186 3.972,1187 3.988,1188 4.024,1189 3.901,1190 7.475,1191 3.9,1192 3.886,1193 3.904,1194 3.871,1195 3.832,1196 6.457,1197 3.827,1198 3.375,1199 3.385,1200 3.385,1201 3.153,1202 6.351,1203 3.179,1204 3.247,1205 3.258,1206 3.299,1207 3.022,1208 4.977,1209 3.043,1210 3.075,1211 3.123,1212 3.091,1213 2.888,1214 4.702,1215 2.886,1216 2.878,1217 2.921,1218 2.889,1219 2.788,1220 4.401,1221 2.762,1222 2.676,1223 2.726,1224 2.527,1225 2.411,1226 4.207,1227 2.435,1228 2.577,1229 2.622,1230 2.443,1231 2.308,1232 3.624,1233 2.336,1234 0.202,1235 0.17,1236 0.289,1237 0.183,1238 0.137,1239 4.248,1240 0.185,1241 3.579,1242 0.068,1243 6.073,1244 0.418,1245 3.833,1246 0.134,1247 2.881,1248 3.893,1249 1.437,1250 8.775,1251 2.808,1252 1.931,1253 1.913,1254 2.031,1255 2.024,1256 1.163,1257 2.026,1258 1.877,1259 1.859,1260 1.968,1261 1.957,1262 1.113,1263 1.965,1264 1.272,1265 1.249,1266 1.488,1267 1.538,1268 0.637,1269 1.512,1270 1.136,1271 1.113,1272 1.375,1273 1.421,1274 0.522,1275 1.387,1276 1.03,1277 0.984,1278 1.239,1279 1.288,1280 0.227,1281 1.285,1282 0.867,1283 0.824,1284 1.083,1285 1.012,1286 0.161,1287 1.055,1288 0.606,1289 0.555,1290 0.93,1291 0.902,1293 0.916,1294 0.494,1295 0.451,1296 0.813,1297 0.798,1299 0.811,1300 3.761,1302 5.043,1304 6.521,1306 8.082,1308 9.684,1311 6.026,1314 17.899,1315 0.139,1318 5.551,1326 22.374,1327 51.756,1328 113.162,1329 134.814,1330 160.465,1331 162.465,1332 162.465,1333 40.621,1334 6.24,1335 66.76,1336 66.76,1337 12,1338 11.837,1339 3.807,1340 3,1341 36.611,1342 68,1343 64,1344 0.271,1345 143.695,1346 253.43,1347 342.375,1348 3622,1349 3,1350 14.535,1351 0.727,1352 0.565,1353 15.035,1354 11.3,1355 9.597,1356 0.457,1357 0.301,1358 5.888,1359 8.958,1360 5.728,1361 4.74,1362 9.885,1363 6.32,1364 8.439,1365 0.301,1366 0.165,1367 8.81,1368 4.624,1369 6.745,1370 0.198,1371 0.089,1372 7.098,1373 3.043,1374 5.02,1375 0.129,1376 0.051,1377 5.353,1378 1.973,1379 3.972,1380 0.085,1381 0.026,1382 4.21,1383 1.229,1384 0.428,1385 63.525,1386 0.272,1387 20.162,1388 0.731,1389 98,1390 355.974,1391 122.93,1392 366.013,1393 468.07,1394 338,1395 111,1396 295.499,1397 131.996,1398 310.191,1399 449.12,1400 289,1401 6.426}
{0 CHEMBL1329930,1 1.811,2 12.615,3 3.974,4 15.791,5 103.668,6 8.51,7 0.444,8 3.889,9 3.998,10 3.542,11 3.383,12 5.163,13 3.378,14 4.337,15 4.479,16 3.864,17 3.699,18 5.685,19 3.681,20 4.565,21 4.75,22 3.916,23 3.793,24 5.785,25 3.752,26 4.572,27 4.764,28 3.898,29 3.722,30 5.92,31 3.678,32 4.484,33 4.679,34 3.82,35 3.684,36 5.77,37 3.606,38 4.397,39 4.589,40 3.8,41 3.612,42 5.766,43 3.517,44 4.294,45 4.509,46 3.573,47 3.484,48 5.598,49 3.373,50 4.127,51 4.333,52 3.293,53 3.351,54 5.28,55 3.258,56 0.221,57 0.647,58 7.529,59 3.731,60 11.946,61 4.362,62 0.358,63 0.954,64 14.441,65 5.828,66 50.041,67 7.218,68 0.475,69 1.126,70 22.527,71 7.676,72 42.942,73 9.217,74 0.716,75 1.079,76 21.955,77 7.131,78 62.781,79 8.558,80 0.556,81 1.037,82 22.931,83 7.093,84 67.81,85 8.111,86 0.566,87 0.948,88 22.602,89 6.941,90 72.191,91 7.738,92 0.503,93 0.823,94 20.309,95 6.409,96 63.472,97 7.773,98 0.35,99 0.703,100 16.935,101 5.33,102 41.46,103 6.183,104 32,105 35,106 0.313,107 0.664,108 0.809,109 0.878,110 0.894,111 0.902,112 3.303,113 0.912,114 -4.01,115 -3.96,116 -3.75,120 38.6,121 1,122 1,126 1,143 7,144 1,145 4,156 1,160 1,167 2,170 1,174 6,176 1,177 5,181 1,182 3,185 5,189 7,192 2,194 4,197 2,201 8,204 4,206 4,209 2,214 3,217 1,218 1,219 5,222 3,226 2,227 2,230 2,232 3,235 2,239 2,240 1,243 1,244 1,245 3,247 2,252 2,260 3,264 4,267 1,269 2,271 5,274 1032,275 17.336,276 17.336,277 17.336,278 17.336,279 17.336,280 15.167,281 19.336,282 10.65,283 17.77,284 13.288,285 13.288,286 13.288,287 13.288,288 13.288,289 10.069,290 22.324,291 4.994,292 14.017,293 3.649,294 1.621,295 0.782,296 0.381,297 0.29,298 0.244,299 3.968,305 1,306 1,307 1,308 669,309 3.937,313 202.315,320 2.154,321 32.773,323 1,324 1,325 1,326 1,327 0.6,329 0.83,330 1,331 0.78,332 58,333 328,334 4.392,335 3.829,336 6.414,337 3.939,338 2.976,339 4.097,340 2.612,341 9.796,342 2.867,343 4.259,344 3.752,345 6.07,346 3.84,347 2.87,348 3.919,349 1.737,350 8.769,351 2.781,352 3.725,353 3.07,354 5.253,355 3.257,356 2.357,357 3.047,358 0.86,359 6.648,360 2.133,361 3.586,362 2.669,363 5.18,364 3.18,365 2.259,366 2.92,367 0.142,368 6.334,369 2.058,370 3.446,371 2.635,372 4.682,373 2.842,374 1.878,375 2.726,377 4.826,378 1.797,379 2.976,380 2.002,381 4.204,382 2.498,383 1.544,384 2.095,386 3.855,387 1.467,388 2.854,389 1.652,390 3.724,391 2.392,392 1.414,393 1.99,395 3.137,396 1.376,397 2.66,398 1.556,399 3.481,400 2.374,401 1.414,402 1.614,404 2.689,405 1.35,406 2.606,407 1.422,408 3.466,409 2.01,410 1.064,411 1.593,413 2.318,414 1,415 2.453,416 1.325,417 3.362,418 2,419 1,420 1.426,422 2.3,423 0.998,424 1.564,425 1,426 2.86,427 1.353,428 0.416,429 0.457,431 0.816,432 0.385,433 1.308,434 0.796,435 2.57,436 1.04,437 0.106,438 0.119,440 0.207,441 0.098,442 1.216,443 0.607,444 2.375,445 0.819,446 -0.105,447 -0.133,449 -0.24,450 -0.095,451 1,452 0.386,453 2.148,454 0.43,455 -0.488,456 -0.647,458 -1.122,459 -0.435,460 0.96,461 0.119,462 2,463 0.294,464 -0.646,465 -0.778,467 -1.396,468 -0.594,469 12.267,470 0.472,471 0.579,472 0.022,473 35,474 1.346,475 19,476 0.731,477 16,478 0.615,479 17.982,480 0.692,481 28.533,482 0.648,483 27.005,484 1.039,485 7.186,486 0.276,487 5.322,488 0.205,489 0.19,491 0.277,496 0.668,497 1.038,498 0.643,499 0.843,500 0.658,501 0.877,502 0.742,503 1.258,504 0.699,505 1.062,506 0.476,507 1.016,508 0.986,509 1.126,510 0.927,511 1.061,512 0.696,513 0.977,514 1.096,515 1.045,516 0.87,517 0.842,518 0.979,519 0.922,520 1.164,521 1.075,522 1.178,523 1.045,524 1.303,525 0.989,526 0.952,527 1.02,528 1.221,529 1.162,530 0.985,531 1.034,532 0.704,533 0.959,534 1.072,535 1.069,536 0.807,537 0.998,538 1.087,539 0.938,540 1.288,541 1.067,542 0.953,543 0.997,544 5,545 0.157,546 2.667,547 1.688,548 1.236,549 0.813,550 0.466,551 0.193,552 0.209,553 0.16,554 8295,555 28775,556 1.952,557 40.9,558 3,559 9,561 1,562 3,564 2,567 1.685,568 1.814,569 3.575,570 1.05,572 1,575 79.669,576 1.811,577 3.839,578 4.677,579 5.079,580 5.17,581 5.215,582 3.075,583 4.162,584 4.672,585 3.795,586 1233.24,587 8.063,588 16528.3,590 1,592 1,593 240.215,594 1.448,595 4.62,596 0.185,597 0.007,598 0.076,599 0.047,600 0.037,601 0.028,602 0.018,603 0.009,604 0.011,605 0.008,606 0.426,607 0.33,608 1,609 1.284,610 131.072,611 0.091,612 0.123,613 0.01,614 0.056,615 -0.06,616 0.019,617 0.082,618 -0.201,619 0.064,620 -0.133,621 0.186,622 -0.072,623 -0.072,624 -0.117,625 0.01,626 -0.09,628 -0.008,629 0.011,630 -0.063,631 0.051,632 0.058,633 0.028,634 0.005,635 -0.156,636 -0.04,637 -0.054,638 0.013,639 -0.178,640 -0.024,641 0.028,642 0.036,643 0.011,644 -0.021,645 0.025,646 -0.048,647 0.165,648 0.03,649 0.07,650 0.015,651 0.097,652 0.026,653 -0.204,654 0.065,655 -0.191,656 0.003,657 -0.15,658 0.012,659 2.506,660 3.967,661 0.462,662 25.976,663 1.022,664 1.129,665 2.782,666 7.741,667 0.678,668 3.332,669 3.584,670 3.761,671 3.932,672 4.06,673 3.989,674 3.912,675 3.829,676 3.85,677 3.871,678 7.41,679 0.655,680 374.46,681 3.332,682 4.828,683 5.631,684 6.469,685 7.292,686 8.135,687 8.965,688 9.81,689 10.642,690 11.487,691 9.1,698 2,700 1,702 1,709 7,714 5,716 12,731 1,734 1,735 1,738 44,739 16,740 2,741 27,743 45,744 17,745 12,746 5,747 7,748 1,752 2,753 2,755 1,757 1,759 1,766 1,768 14,769 3,772 4,775 1,778 2,779 1,780 1,781 1,782 1,786 1,789 18,790 7,791 3,792 9,793 1,797 4,803 1,804 4,823 2,855 2,857 1,859 1,862 26,868 1,869 2,871 2,872 1,886 9.1,888 1,891 1,892 2,893 14.333,894 7.933,895 6,896 2.54,898 2.981,899 1.447,900 0.914,901 7.623,902 9.656,903 3.638,904 4.174,905 4.635,906 5.149,907 5.584,908 5.678,909 5.807,910 5.847,911 6.012,912 6.304,913 1,914 36,915 9.525,917 3.898,918 8.122,919 17.415,921 13.175,924 2.622,925 68.167,928 1,929 176.567,930 150.752,931 58.232,933 104.43,935 45.192,936 105.56,937 280.997,938 58.232,939 14.495,940 43.026,941 66.334,942 63.502,943 41.605,944 0.285,945 164.795,946 95.939,947 176.567,948 163.792,949 104.43,950 45.192,952 153.024,953 77.225,954 50.747,956 68.514,957 80.561,958 14.717,959 45.192,960 176.567,961 162.662,962 150.752,965 176.567,966 21.354,967 89.876,968 35.899,969 166.285,970 176.567,971 162.662,972 150.752,973 0.562,974 0.317,975 0.167,976 0.09,977 13,978 7,979 0.156,980 7,982 1,983 3.843,984 192.574,986 12,987 120.211,990 1,993 19.942,994 9.939,995 6.142,997 156.992,998 11.007,1003 1.214,1005 78.582,1006 489.981,1007 37,1010 -0.506,1013 21.935,1014 5.058,1015 1.381,1016 3.915,1017 0.081,1020 44.978,1021 49.657,1022 0.332,1023 0.703,1024 0.857,1025 0.93,1026 0.947,1027 0.955,1028 4.828,1029 1.414,1030 5.587,1031 3.137,1032 4.263,1033 4.86,1034 2.934,1035 6.323,1036 4.163,1037 6.02,1038 1.064,1039 7.104,1040 2.689,1041 3.761,1042 4.649,1043 2.587,1044 7.116,1045 3.589,1046 7.308,1047 1,1048 8.724,1049 2.318,1050 5.778,1051 7.003,1052 4.346,1053 10.167,1054 5.588,1055 8.633,1056 0.416,1057 10.406,1058 2.3,1059 6.089,1060 7.597,1061 4.626,1062 11.801,1063 5.84,1064 9.988,1065 0.106,1066 12.128,1067 0.816,1068 7.572,1069 9.437,1070 6.033,1071 14.355,1072 7.309,1073 11.365,1074 -0.105,1075 13.877,1076 0.207,1077 8.274,1078 10.415,1079 6.611,1080 16.339,1081 7.964,1082 12.759,1083 -0.488,1084 15.646,1085 -0.24,1086 9.526,1087 12.034,1088 7.832,1089 18.713,1090 9.201,1091 2.976,1092 -0.646,1093 17.43,1094 -1.122,1095 10.421,1096 13.207,1097 8.573,1098 20.851,1099 10.055,1100 2.87,1101 9.796,1102 19.226,1103 -1.396,1104 11.57,1105 14.718,1106 9.687,1107 23.156,1108 11.185,1109 2.357,1110 8.769,1111 21.031,1112 4.097,1113 12.558,1114 15.994,1115 10.52,1116 25.362,1117 12.135,1118 2.259,1119 6.648,1120 22.842,1121 3.919,1122 13.664,1123 17.451,1124 11.571,1125 27.642,1126 13.217,1127 1.878,1128 6.334,1129 24.66,1130 3.047,1131 14.697,1132 18.781,1133 12.457,1134 29.88,1135 14.214,1136 1.544,1137 4.826,1138 26.482,1139 2.92,1140 15.784,1141 20.21,1142 13.471,1143 32.151,1144 15.274,1145 1.414,1146 3.855,1147 28.309,1148 2.726,1149 16.839,1150 21.57,1151 14.388,1152 34.405,1153 16.294,1154 8397,1155 15865,1156 17.394,1157 29.818,1158 38.893,1159 41.192,1160 40.356,1161 38.694,1162 38.596,1163 52.007,1164 10.703,1165 103.394,1166 36.623,1167 5.235,1168 5.829,1169 6.277,1170 4.979,1171 4.976,1172 7.097,1173 4.612,1174 16.335,1175 4.867,1176 15.036,1177 1.44,1178 1.526,1179 1.495,1180 1.433,1181 1.429,1182 1.926,1183 0.396,1184 3.829,1185 1.356,1186 4,1187 4.029,1188 4.014,1189 3.874,1190 7.815,1191 3.883,1192 3.928,1193 3.946,1194 3.885,1195 3.835,1196 6.999,1197 3.842,1198 3.596,1199 3.664,1200 3.817,1201 3.424,1202 6.469,1203 3.41,1204 3.514,1205 3.566,1206 3.433,1207 3.372,1208 4.968,1209 3.311,1210 3.451,1211 3.49,1212 3.415,1213 3.037,1214 4.783,1215 3.133,1216 3.168,1217 3.221,1218 3.166,1219 3.02,1220 4.679,1221 3.017,1222 2.953,1223 3.016,1224 2.834,1225 2.746,1226 4.501,1227 2.751,1228 2.905,1229 2.967,1230 2.78,1231 2.717,1232 4.19,1233 2.698,1234 0.163,1235 0.142,1236 0.238,1237 0.146,1238 0.11,1239 4.392,1240 0.152,1241 3.829,1242 0.097,1243 6.414,1244 0.363,1245 3.939,1246 0.106,1247 2.976,1248 4.097,1249 2.612,1250 9.796,1251 2.867,1252 1.915,1253 1.888,1254 2.007,1255 2.087,1256 1.142,1257 2.049,1258 1.889,1259 1.872,1260 1.984,1261 2.001,1262 1.083,1263 1.994,1264 1.595,1265 1.526,1266 1.884,1267 1.8,1268 1.052,1269 1.83,1270 1.367,1271 1.317,1272 1.447,1273 1.678,1274 0.47,1275 1.607,1276 1.195,1277 1.165,1278 1.334,1279 1.604,1280 0.39,1281 1.548,1282 1.104,1283 1.063,1284 1.284,1285 1.325,1286 0.276,1287 1.331,1288 0.893,1289 0.84,1290 1.222,1291 1.207,1292 0.213,1293 1.227,1294 0.883,1295 0.802,1296 1.139,1297 1.137,1298 0.155,1299 1.131,1300 4.007,1302 5.273,1304 6.727,1306 8.275,1308 9.871,1310 1.994,1314 9.966,1315 1.442,1317 5.254,1318 5.425,1326 28.82,1327 79.669,1328 168.912,1329 205.809,1330 223.46,1331 227.46,1332 229.46,1333 64.788,1334 6.675,1335 111.7,1336 143.79,1337 12,1338 12.051,1339 4.087,1340 3.459,1341 55.441,1342 118,1343 124,1344 0.229,1345 187,1346 330.05,1347 448.04,1348 7014,1350 18.941,1351 0.728,1352 0.57,1353 19.441,1354 14.824,1355 12.507,1356 0.463,1357 0.304,1358 7.697,1359 11.606,1360 7.513,1361 6.31,1362 12.796,1363 8.211,1364 10.783,1365 0.308,1366 0.159,1367 11.191,1368 5.576,1369 8.223,1370 0.196,1371 0.081,1372 8.485,1373 3.387,1374 6.524,1375 0.13,1376 0.043,1377 6.777,1378 2.154,1379 4.919,1380 0.086,1381 0.024,1382 5.125,1383 1.364,1384 0.374,1385 82.677,1386 0.24,1387 25.831,1388 0.591,1389 124,1390 466.173,1391 154.965,1392 466.336,1393 607.47,1394 428,1395 139,1396 425.574,1397 164.232,1398 429.588,1399 612.46,1400 401,1401 4.959}
{0 CHEMBL1330583,1 1.69,2 9.35,3 3.693,4 13.636,5 77.753,6 8.75,7 0.571,8 3.592,9 3.692,10 3.282,11 3.192,12 4.861,13 3.173,14 4.015,15 4.145,16 3.62,17 3.523,18 5.291,19 3.481,20 4.226,21 4.381,22 3.723,23 3.594,24 5.52,25 3.538,26 4.267,27 4.453,28 3.698,29 3.389,30 5.63,31 3.357,32 4.068,33 4.267,34 3.316,35 3.128,36 5.418,37 3.106,38 3.755,39 3.913,40 3.171,41 3.016,42 5.106,43 3.016,44 3.792,45 3.929,46 3.243,47 3.094,48 5.206,49 3.07,50 3.767,51 3.938,52 3.131,53 3.18,54 4.991,55 3.077,56 0.099,57 0.435,58 5.027,59 2.761,60 9.728,61 3.265,62 0.194,63 0.641,64 9.272,65 4.651,66 20.956,67 5.707,68 0.235,69 0.761,70 13.857,71 5.644,72 26.002,73 6.873,74 0.447,75 0.736,76 18.948,77 5.679,78 48.541,79 6.386,80 0.443,81 0.591,82 18.472,83 4.417,84 56.724,85 4.829,86 0.2,87 0.464,88 8.464,89 3.104,90 25.535,91 3.291,92 0.296,93 0.454,94 9.537,95 3.311,96 41.188,97 3.253,98 0.178,99 0.467,100 10.809,101 3.645,102 25.343,103 4.299,104 17,105 28,106 0.313,107 0.617,108 0.709,109 0.822,110 0.853,111 0.853,112 3.056,113 0.903,114 -5.69,115 -5.56,116 -5.18,120 45.5,121 1,143 8,144 3,145 1,159 2,164 1,165 1,166 1,167 1,174 11,176 1,177 3,179 1,180 1,182 1,185 14,187 1,188 1,189 6,191 1,192 1,194 2,197 8,199 2,201 11,206 2,209 3,211 2,214 9,216 1,217 1,219 2,222 1,224 2,227 6,232 1,235 3,237 1,240 3,245 3,247 7,249 3,252 1,257 1,260 10,262 1,269 1,271 10,273 1,274 474,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 11.244,281 9.293,282 7.887,283 13.421,284 10.322,285 10.322,286 10.322,287 10.322,288 10.322,289 7.544,290 7.471,291 3.726,292 10.692,293 3.355,294 1.72,295 1.22,296 0.614,297 0.447,298 0.447,299 3.712,303 1,305 1,306 1,307 1,308 387,309 3.162,313 146.933,320 1.35,321 20.713,323 1,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 43.333,333 187,334 4.351,335 4.15,336 6.4,337 3.95,338 2.986,339 3.988,340 2.637,341 9.687,342 2.86,343 4.163,344 3.437,345 6.017,346 3.754,347 2.778,348 3.707,349 1.051,350 8.537,351 2.711,352 3.668,353 2.957,354 5.165,355 3.289,356 2.296,357 3.02,359 6.3,360 2.273,361 3.345,362 2.697,363 4.662,364 2.83,365 1.874,366 2.647,368 4.793,369 1.789,370 3.108,371 2.343,372 4.289,373 2.635,374 1.71,375 2.268,377 4.122,378 1.509,379 2.722,380 1.827,381 3.879,382 2.25,383 1.285,384 1.793,386 3.129,387 1.201,388 2.609,389 1.558,390 3.464,391 2.056,392 1.066,393 1.581,395 2.529,396 1.049,397 2.5,398 1.135,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 1.522,407 1,408 2.87,409 1.328,410 0.343,411 0.384,413 0.753,414 0.33,415 1.25,416 0.502,417 2.359,418 0.821,419 -0.158,420 -0.206,422 -0.357,423 -0.132,424 0.796,425 0.171,426 2.344,427 0.335,428 -0.515,429 -0.621,431 -1.242,432 -0.392,433 0.707,434 -0.04,435 1.943,436 0.245,437 -0.743,438 -0.964,440 -1.603,441 -0.734,442 0.5,443 -0.518,444 1.555,446 -1,447 -1.345,449 -2.347,450 -0.931,451 0.419,452 -0.692,453 1.529,454 -0.044,455 -1,456 -1.5,458 -2.428,459 -1,460 0.133,461 -1,462 1.372,463 -0.179,464 -1.156,465 -1.571,467 -3.114,468 -1.097,469 9.681,470 0.484,471 0.511,472 0.026,473 27,474 1.35,475 15,476 0.75,477 12,478 0.6,479 13.022,480 0.651,481 20.919,482 0.634,483 18.705,484 0.935,485 5.754,486 0.288,487 3.822,488 0.191,489 0.201,491 0.31,496 0.626,497 0.933,498 0.588,499 0.806,500 0.706,501 0.799,502 0.494,503 1.032,504 0.617,505 0.925,506 0.505,507 0.898,508 0.811,509 1.254,510 0.922,511 1.145,512 0.729,513 1.092,514 1.33,515 1.224,516 1.009,517 1.114,518 1.124,519 0.99,520 1.85,521 0.885,522 1.452,523 0.947,524 1.571,525 0.867,526 1.652,527 1.002,528 0.776,529 0.804,530 1.71,531 0.806,532 1.926,533 0.885,534 1.01,535 0.747,536 2.285,537 0.856,538 1.119,539 0.861,540 1.422,541 1.019,542 1.344,543 1.109,544 4,545 0.062,546 2.667,547 1.5,548 0.764,549 0.528,550 0.366,551 0.219,552 0.14,553 0.081,554 3781,555 12103,556 1.966,557 39.4,558 3,559 8,562 2,567 1.614,568 1.818,569 3.208,570 0.361,572 1,574 1,575 55.756,576 1.69,577 3.325,578 3.824,579 4.43,580 4.597,581 4.597,582 2.666,583 3.684,584 4.297,585 3.33,586 632.718,587 7.32,588 6639.32,589 1,590 1,591 1,592 1,593 166.465,594 1.485,595 4.237,596 0.19,597 0.009,598 0.095,599 0.054,600 0.033,601 0.029,602 0.022,603 0.013,604 0.009,605 0.007,606 0.461,607 0.33,608 0.88,609 0.68,610 89.808,611 0.058,612 0.171,613 0.004,614 0.083,615 -0.112,616 0.05,617 0.232,618 -0.012,619 0.095,620 0.009,621 0.147,622 0.017,623 0.091,624 -0.247,625 -0.011,626 -0.201,627 0.082,628 -0.169,629 0.047,630 -0.262,631 0.106,632 -0.158,633 0.088,634 -0.058,635 -0.249,636 0.107,637 -0.197,638 0.01,639 -0.122,640 0.047,641 -0.301,642 0.03,643 -0.027,644 0.084,645 -0.194,646 0.054,647 -0.385,648 0.1,649 -0.123,650 0.181,651 -0.356,653 -0.259,654 0.145,655 -0.291,656 -0.029,657 -0.274,658 -0.155,659 2.311,660 4.843,661 0.6,662 13.93,663 1.015,664 1.117,665 4.458,666 19.875,667 0.707,668 3.091,669 3.367,670 3.555,671 3.689,672 3.784,673 3.664,674 3.526,675 3.434,676 3.466,677 3.466,678 5.519,679 0.681,680 288.75,681 3.091,682 4.595,683 5.407,684 6.248,685 7.074,686 7.918,687 8.748,688 9.592,689 10.424,690 11.269,691 6.1,692 1,700 1,709 8,714 4,716 12,737 1,738 33,739 14,740 2,741 21,743 34,744 15,745 12,746 4,747 8,748 2,752 2,753 2,754 1,759 1,768 14,769 1,772 2,778 1,781 1,782 2,785 1,786 1,789 13,790 4,791 2,792 5,793 1,797 2,799 1,803 1,804 2,823 2,848 1,855 2,859 1,860 1,862 20,863 1,872 1,885 1,886 6.1,889 1,891 1,893 11,894 6.176,895 4.5,896 1.779,898 2.602,899 1.427,900 0.957,901 4.638,902 8.691,903 3.401,904 3.97,905 4.477,906 4.952,907 5.389,908 5.389,909 5.45,910 5.537,911 5.807,912 6.157,913 1,914 28,915 7.317,917 3.006,918 7.981,919 13.495,921 10.366,924 2.481,925 49.611,929 129.482,930 107.212,931 52.297,932 39.149,933 36.364,936 107.212,937 204.994,938 52.297,939 8.825,940 32.897,941 75.81,942 34.664,943 43.676,945 129.482,946 39.149,947 129.482,948 159.509,949 36.364,950 39.149,952 129.482,953 36.364,956 61.122,957 98.387,958 39.149,960 129.482,961 88.661,962 146.36,965 129.482,966 22.577,967 84.635,969 127.809,970 129.482,971 88.661,972 146.36,973 0.576,974 0.331,975 0.166,976 0.082,977 12,978 6,979 0.118,980 4,982 1,983 3.243,984 137.522,986 12,987 82.439,993 14.41,994 6.438,995 3.75,997 88.661,998 14.071,1003 2.208,1005 32.897,1006 364.503,1007 29,1013 11.843,1016 3.62,1017 -0.518,1020 33.484,1021 36.851,1022 0.335,1023 0.659,1024 0.758,1025 0.878,1026 0.911,1027 0.911,1028 4.595,1029 1,1030 5.38,1031 2.529,1032 4.043,1033 4.654,1034 2.84,1035 6.129,1036 3.973,1037 5.804,1038 0.343,1039 6.913,1040 2.136,1041 3.611,1042 4.369,1044 6.952,1045 3.466,1046 7.097,1047 -0.158,1048 8.548,1049 0.753,1050 5.58,1051 6.798,1052 4.606,1053 9.999,1054 5.453,1055 8.426,1056 -0.515,1057 10.243,1058 -0.357,1059 5.943,1060 7.287,1062 11.645,1063 5.743,1064 9.782,1065 -0.743,1066 11.976,1067 -1.242,1068 7.399,1069 9.202,1070 6.515,1071 14.204,1072 7.209,1073 11.159,1074 -1,1075 13.736,1076 -1.603,1077 8.132,1078 10.073,1080 16.186,1081 7.873,1082 12.552,1083 -1,1084 15.514,1085 -2.347,1086 9.373,1087 11.743,1088 8.45,1089 18.562,1090 9.108,1091 2.986,1092 -1.156,1093 17.307,1094 -2.428,1095 10.283,1096 12.823,1098 20.691,1099 9.954,1100 2.778,1101 9.687,1102 19.11,1103 -3.114,1104 11.428,1105 14.362,1106 10.388,1107 22.995,1108 11.082,1109 2.296,1110 8.537,1111 20.92,1112 3.988,1113 12.424,1114 15.562,1116 25.19,1117 12.02,1118 1.874,1119 6.3,1120 22.737,1121 3.707,1122 13.529,1123 17.027,1124 12.327,1125 27.465,1126 13.097,1127 1.71,1128 4.793,1129 24.559,1130 3.02,1131 14.566,1132 18.296,1134 29.692,1135 14.083,1136 1.285,1137 4.122,1138 26.385,1139 2.647,1140 15.653,1141 19.72,1142 14.266,1143 31.956,1144 15.136,1145 1.066,1146 3.129,1147 28.215,1148 2.268,1149 16.711,1150 21.03,1152 34.199,1153 16.146,1154 3819,1155 6971,1156 13.523,1157 23.347,1158 31.119,1159 33.687,1160 31.988,1161 30.87,1162 30.675,1163 41.776,1164 7.375,1165 83.971,1166 29.444,1167 5.134,1168 6.15,1169 6.202,1170 4.97,1171 4.986,1172 6.988,1173 5.273,1174 16.316,1175 4.86,1176 10.677,1177 1.482,1178 1.604,1179 1.523,1180 1.47,1181 1.461,1182 1.989,1183 0.351,1184 3.999,1185 1.402,1186 3.959,1187 3.979,1188 4.034,1189 3.896,1190 7.433,1191 3.893,1192 3.898,1193 3.925,1194 3.85,1195 3.841,1196 5.183,1197 3.835,1198 3.449,1199 3.489,1200 3.406,1201 3.201,1202 4.906,1203 3.237,1204 3.259,1205 3.319,1206 3.356,1207 3.08,1208 4.69,1209 3.091,1210 2.94,1211 2.986,1212 3.144,1213 2.796,1214 4.533,1215 2.771,1216 2.876,1217 2.925,1218 2.732,1219 2.735,1220 4.351,1221 2.715,1222 2.854,1223 2.921,1224 2.687,1225 2.648,1226 3.798,1227 2.672,1228 2.67,1229 2.772,1230 2.487,1231 2.431,1232 3.674,1233 2.436,1234 0.207,1235 0.198,1236 0.305,1237 0.188,1238 0.142,1239 4.351,1240 0.19,1241 4.15,1242 0.126,1243 6.4,1244 0.461,1245 3.95,1246 0.136,1247 2.986,1248 3.988,1249 2.637,1250 9.687,1251 2.86,1252 1.919,1253 1.902,1254 2.02,1255 2.007,1256 1.136,1257 2.011,1258 1.899,1259 1.871,1260 2.006,1261 1.977,1262 1.078,1263 1.991,1264 1.322,1265 1.287,1266 1.537,1267 1.613,1268 0.614,1269 1.571,1270 1.214,1271 1.149,1272 1.422,1273 1.451,1274 0.315,1275 1.464,1276 0.886,1277 0.824,1278 1.181,1279 1.177,1280 0.218,1281 1.142,1282 0.868,1283 0.821,1284 1.086,1285 1.062,1286 0.162,1287 1.107,1288 0.826,1289 0.788,1290 1.031,1291 1.01,1292 0.01,1293 1.054,1294 0.652,1295 0.55,1296 1.008,1297 0.932,1299 0.965,1300 3.761,1302 5.043,1304 6.521,1306 8.082,1308 9.684,1310 1.881,1311 5.976,1313 5.723,1318 4.805,1326 22.461,1327 55.756,1328 109.71,1329 126.2,1330 146.2,1331 151.71,1332 151.71,1333 36.163,1334 6.089,1335 64.68,1336 64.68,1337 12,1338 11.833,1339 3.907,1340 3.17,1341 36.593,1342 67,1343 56,1344 0.271,1345 146.364,1346 255.21,1347 348.887,1348 2986,1349 3,1350 14.535,1351 0.727,1352 0.58,1353 15.035,1354 11.594,1355 9.575,1356 0.456,1357 0.301,1358 5.908,1359 8.992,1360 5.693,1361 4.788,1362 9.864,1363 6.319,1364 8.489,1365 0.303,1366 0.165,1367 8.86,1368 4.612,1369 6.761,1370 0.199,1371 0.087,1372 7.093,1373 2.954,1374 5.213,1375 0.134,1376 0.049,1377 5.662,1378 1.899,1379 3.682,1380 0.086,1381 0.024,1382 3.837,1383 1.042,1384 0.427,1385 62.856,1386 0.272,1387 20.193,1388 0.733,1389 98,1390 330.632,1391 122.19,1392 351.788,1393 461.59,1394 324,1395 111,1396 316.367,1397 131.466,1398 329.317,1399 471.29,1400 307,1401 6.796}
{0 CHEMBL1330929,1 1.63,2 15.55,3 5.083,4 25.834,5 160.171,6 8.205,7 0.6,8 4.32,9 4.435,10 4.011,11 3.917,12 5.46,13 3.889,14 4.832,15 4.99,16 4.399,17 4.297,18 5.932,19 4.257,20 5.054,21 5.24,22 4.503,23 4.412,24 6.163,25 4.365,26 5.139,27 5.341,28 4.431,29 4.438,30 6.216,31 4.368,32 5.191,33 5.404,34 4.466,35 4.433,36 6.414,37 4.352,38 5.116,39 5.324,40 4.416,41 4.415,42 6.218,43 4.311,44 5.047,45 5.259,46 4.311,47 4.381,48 6.086,49 4.251,50 4.969,51 5.176,52 4.296,53 4.286,54 6.106,55 4.184,56 0.077,57 1.051,58 11.964,59 5.805,60 9.469,61 7.06,62 0.292,63 1.729,64 25.527,65 9.696,66 23.092,67 12.147,68 0.52,69 2.077,70 32.727,71 11.667,72 41.87,73 14.745,74 0.369,75 2.203,76 35.929,77 13.008,78 41.807,79 16.452,80 0.848,81 2.219,82 40.849,83 14.128,84 119.888,85 17.384,86 0.595,87 2.113,88 41.308,89 13.925,90 73.198,91 16.582,92 0.413,93 1.96,94 42.075,95 15.19,96 52.16,97 17.954,98 0.446,99 1.836,100 36.538,101 13.287,102 55.971,103 16.01,104 17,105 64,106 0.252,107 0.583,108 0.715,109 0.814,110 0.861,111 0.865,112 3.717,113 0.928,114 -5.89,115 -5.75,116 -5.35,120 44.8,121 1,122 1,125 1,126 2,139 2,143 14,144 2,145 1,147 1,151 1,153 1,159 2,162 1,167 2,174 15,176 3,177 9,180 1,185 16,188 3,189 13,192 3,194 2,197 9,200 1,201 16,209 3,213 5,214 13,217 2,219 2,222 7,226 1,227 10,230 1,232 2,235 13,239 1,240 7,243 1,245 1,247 13,251 6,252 10,257 1,260 12,263 3,264 8,269 3,271 8,274 3250,275 27.466,276 27.466,277 27.466,278 27.466,279 27.466,280 23.754,281 25.536,282 16.226,283 28.012,284 22.212,285 22.212,286 22.212,287 22.212,288 22.212,289 16.584,290 29.618,291 7.722,292 23.123,293 4.436,294 2.293,295 1.445,296 0.799,297 0.5,298 0.47,299 4.432,308 1386,309 3.808,312 194.502,313 463.645,316 307.011,320 2.145,321 34.995,324 0.5,325 0.33,326 0.83,327 0.5,329 0.83,330 1,331 0.57,332 85.5,333 622,334 4.823,335 4.461,336 7.05,337 4.306,338 3.352,339 4.929,340 3.359,341 12.159,342 3.215,343 4.584,344 3.861,345 7.048,346 4.304,347 3.339,348 3.979,349 1.737,350 11.966,351 3.203,352 3.957,353 3.556,354 6.032,355 3.56,356 2.602,357 3.573,358 1.058,359 8.459,360 2.52,361 3.932,362 3.356,363 5.776,364 3.524,365 2.533,366 3.446,367 0.657,368 7.798,369 2.505,370 3.9,371 2.859,372 5.708,373 3.43,374 2.513,375 3.446,376 0.146,377 7.399,378 2.297,379 3.617,380 2.724,381 5.457,382 3.259,383 2.273,384 3.038,386 6.885,387 2.227,388 3.584,389 2.704,390 5.331,391 3.113,392 2.165,393 2.879,395 6.551,396 2.044,397 3.419,398 2.592,399 5.245,400 2.952,401 2.019,402 2.72,404 6.281,405 1.902,406 3.25,407 2.239,408 4.982,409 2.897,410 1.911,411 2.394,413 5.602,414 1.813,415 3.092,416 2.165,417 4.789,418 2.742,419 1.757,420 2.172,422 4.819,423 1.724,424 2.927,425 1.96,426 3.911,427 2.51,428 1.514,429 2.098,431 3.259,432 1.508,433 2.864,434 1.592,435 3.842,436 2.351,437 1.369,438 2.044,440 3.092,441 1.341,442 2.657,443 1.524,444 3.62,445 2.222,446 1.23,447 1.672,449 2.844,450 1.216,451 2.595,452 1.385,453 3.609,454 2.08,455 1.112,456 1.637,458 2.758,459 1.07,460 2.5,461 1.159,462 3.539,463 2,464 1,465 1.5,467 2.472,468 1,469 19.3,470 0.483,471 0.922,472 0.023,473 55.75,474 1.394,475 29.5,476 0.738,477 26.25,478 0.656,479 35.464,480 0.887,481 40.7,482 0.607,483 46.529,484 1.163,485 11.003,486 0.275,487 8.505,488 0.213,489 0.086,491 0.347,496 0.65,497 1.186,498 0.698,499 0.936,500 0.541,501 0.873,502 0.691,503 1.251,504 0.881,505 1.062,506 0.56,507 0.913,508 0.976,509 1.081,510 0.84,511 0.95,512 0.966,513 0.922,514 1.146,515 1.182,516 0.996,517 1.062,518 0.934,519 1.064,520 1.3,521 0.896,522 0.976,523 0.835,524 1.45,525 0.909,526 1.319,527 0.957,528 1.21,529 1.044,530 1.359,531 1.001,532 0.951,533 1.03,534 1.376,535 1.231,536 1.011,537 1.039,538 0.856,539 1.033,540 1.195,541 1.173,542 0.966,543 1.005,544 6,545 0.253,546 4.444,547 4.16,548 2.148,549 1.529,550 0.913,551 0.579,552 0.442,553 0.286,554 29360,555 75466,556 2.151,557 40.3,559 21,562 1,564 5,567 1.799,568 2.034,569 3.883,570 -0.367,575 109.188,576 1.63,577 3.773,578 4.621,579 5.267,580 5.566,581 5.596,582 3.312,583 5.122,584 5.296,585 4.075,586 3178.36,587 9.337,588 56255.2,593 406.428,594 1.337,595 5.263,596 0.133,597 0.006,598 0.069,599 0.061,600 0.034,601 0.025,602 0.016,603 0.011,604 0.008,605 0.006,606 0.371,607 0.17,608 0.63,609 0.465,610 227.59,611 0.065,612 -0.073,613 0.074,614 -0.011,615 -0.025,616 0.002,617 0.163,618 -0.15,619 0.067,620 -0.081,621 0.05,622 -0.002,623 0.102,624 -0.016,625 0.073,626 -0.027,627 -0.014,628 -0.011,629 -0.115,630 -0.144,631 -0.078,632 -0.137,633 -0.017,634 -0.132,635 0.08,636 0.111,637 0.036,638 0.12,639 0.098,640 0.033,641 -0.136,642 0.071,643 -0.046,644 0.028,645 -0.111,646 -0.027,647 -0.016,648 -0.03,649 -0.069,650 -0.032,651 -0.028,652 0.002,653 0.166,654 -0.018,655 0.015,656 -0.05,657 0.099,658 0.001,659 1.982,660 6.137,661 0.75,662 49.075,663 1.004,664 1.119,665 4.66,666 21.716,667 0.705,668 3.829,669 4.174,670 4.511,671 4.828,672 5.075,673 5.142,674 5.323,675 5.476,676 5.517,677 5.609,678 8.998,679 0.672,680 549.71,681 3.829,682 5.389,683 6.267,684 7.166,685 8.065,686 8.974,687 9.883,688 10.798,689 11.712,690 12.631,691 10.4,694 1,698 2,699 1,701 3,706 1,708 4,709 14,710 3,714 3,715 1,716 27,738 67,739 30,740 3,741 45,743 72,744 30,745 21,746 4,747 14,748 3,752 6,753 9,759 1,766 1,768 25,769 5,772 3,778 2,782 4,789 27,790 8,791 1,792 10,793 1,797 7,801 1,803 0.667,804 2,818 1,822 2,823 4,826 2,838 1,845 2,855 4,856 1,857 1,859 2,862 40,869 3,871 1,873 1,875 2,886 3,889 2,893 19.667,894 12.867,895 8.722,896 3.948,898 5.11,899 1.568,900 1.027,901 7.354,902 14.109,903 4.135,904 4.773,905 5.413,906 6.057,907 6.643,908 6.968,909 7.475,910 7.953,911 8.214,912 8.56,913 1,914 68,915 14.817,917 6.412,918 7.704,919 28.264,921 23.444,924 2.204,925 88.167,929 306.049,930 217.783,931 76.025,933 50.29,935 32.22,936 185.564,937 356.339,938 76.025,939 17.222,940 26.552,941 132.667,942 117.04,943 15.56,944 2.837,945 338.268,947 306.049,948 261.589,949 50.29,950 32.22,952 247.193,953 109.145,956 44.831,957 161.133,958 55.625,959 32.22,960 306.049,961 126.315,962 217.783,965 306.049,966 67.894,967 157.792,968 18.011,969 100.401,970 306.049,971 126.315,972 217.783,973 0.583,974 0.353,975 0.202,976 0.114,977 32,978 14,979 0.111,980 8,981 2,982 1.133,983 5.015,984 411.029,985 0.133,986 30,987 204.877,989 1,993 26.21,994 11.223,995 5.149,996 3.511,997 124.416,998 27.72,999 13.579,1003 2.366,1004 2.163,1005 18.011,1006 650.147,1007 61.5,1013 26.045,1017 0.318,1020 67.28,1021 74.979,1022 0.269,1023 0.622,1024 0.762,1025 0.868,1026 0.918,1027 0.922,1028 5.379,1029 2.019,1030 6.256,1031 6.551,1032 4.86,1033 5.462,1034 3.452,1035 7.114,1036 4.782,1037 6.599,1038 1.911,1039 7.84,1040 6.281,1041 4.443,1042 5.278,1043 1.593,1044 8.113,1045 4.322,1046 7.92,1047 1.757,1048 9.531,1049 5.602,1050 6.488,1051 7.722,1052 5.583,1053 11.29,1054 6.327,1055 9.282,1056 1.514,1057 11.288,1058 4.819,1059 6.948,1060 8.429,1061 3.522,1062 13.188,1063 6.74,1064 10.68,1065 1.369,1066 13.087,1067 3.259,1068 8.448,1069 10.336,1070 7.947,1071 15.895,1072 8.205,1073 12.108,1074 1.23,1075 14.918,1076 3.092,1077 9.32,1078 11.493,1079 5.91,1080 18.159,1081 9.029,1082 13.558,1083 1.112,1084 16.772,1085 2.844,1086 10.618,1087 13.188,1088 10.351,1089 20.719,1090 10.292,1091 3.352,1092 1,1093 18.643,1094 2.758,1095 11.679,1096 14.574,1097 8.482,1098 23.126,1099 11.306,1100 3.339,1101 12.159,1102 20.53,1103 2.472,1104 12.907,1105 16.189,1106 12.763,1107 25.638,1108 12.497,1109 2.602,1110 11.966,1111 22.428,1112 4.929,1113 14.051,1114 17.685,1115 11.074,1116 28.098,1117 13.595,1118 2.533,1119 8.459,1120 24.336,1121 3.979,1122 15.258,1123 19.275,1124 15.176,1125 30.596,1126 14.763,1127 2.513,1128 7.798,1129 26.252,1130 3.573,1131 16.437,1132 20.823,1133 13.65,1134 33.075,1135 15.898,1136 2.273,1137 7.399,1138 28.174,1139 3.446,1140 17.64,1141 22.409,1142 17.59,1143 35.567,1144 17.06,1145 2.165,1146 6.885,1147 30.102,1148 3.446,1149 18.834,1150 23.98,1151 16.206,1152 38.054,1153 18.211,1154 26880,1155 43373,1156 30.63,1157 47.211,1158 68.617,1159 72.684,1160 69.842,1161 67.956,1162 67.951,1163 91.636,1164 13.918,1165 199.452,1166 65.41,1167 5.78,1168 6.461,1169 6.852,1170 5.45,1171 5.352,1172 7.929,1173 6.685,1174 19.65,1175 5.215,1176 17.183,1177 1.525,1178 1.615,1179 1.552,1180 1.51,1181 1.51,1182 2.036,1183 0.309,1184 4.432,1185 1.454,1186 4.208,1187 4.246,1188 4.211,1189 4.097,1190 7.433,1191 4.113,1192 3.983,1193 4.024,1194 3.951,1195 3.865,1196 7.423,1197 3.87,1198 3.902,1199 3.934,1200 3.873,1201 3.841,1202 5.186,1203 3.836,1204 3.777,1205 3.813,1206 3.823,1207 3.655,1208 4.776,1209 3.664,1210 3.633,1211 3.676,1212 3.693,1213 3.531,1214 4.747,1215 3.51,1216 3.494,1217 3.538,1218 3.463,1219 3.356,1220 4.695,1221 3.335,1222 3.393,1223 3.463,1224 3.285,1225 3.212,1226 4.467,1227 3.215,1228 3.134,1229 3.238,1230 3.123,1231 2.931,1232 4.237,1233 2.921,1234 0.107,1235 0.099,1236 0.157,1237 0.096,1238 0.074,1239 4.823,1240 0.11,1241 4.461,1242 0.075,1243 7.05,1244 0.27,1245 4.306,1246 0.071,1247 3.352,1248 4.929,1249 3.359,1250 12.159,1251 3.215,1252 1.956,1253 1.928,1254 2.071,1255 2.056,1256 1.269,1257 2.06,1258 1.914,1259 1.886,1260 2.018,1261 2.005,1262 1.138,1263 2.006,1264 1.886,1265 1.855,1266 2.006,1267 1.99,1268 1.072,1269 1.995,1270 1.746,1271 1.701,1272 1.817,1273 1.932,1274 0.96,1275 1.909,1276 1.656,1277 1.616,1278 1.8,1279 1.85,1280 0.942,1281 1.836,1282 1.434,1283 1.389,1284 1.615,1285 1.668,1286 0.831,1287 1.665,1288 1.355,1289 1.29,1290 1.57,1291 1.571,1292 0.657,1293 1.583,1294 1.279,1295 1.228,1296 1.525,1297 1.51,1298 0.635,1299 1.516,1300 4.511,1302 5.849,1303 3.045,1304 7.387,1305 5.638,1306 9.014,1307 7.901,1308 10.692,1310 3.596,1315 1.62,1317 2.793,1319 1.189,1321 3.267,1326 45.034,1327 109.188,1328 252.802,1329 309.615,1330 352.918,1331 372.918,1332 374.918,1333 69.482,1334 8.999,1335 99.63,1336 124.93,1337 34,1338 13.141,1339 4.954,1340 4.129,1341 57.446,1342 220,1343 204,1344 0.125,1345 276.953,1346 472.39,1347 667.525,1348 130411,1350 27.639,1351 0.691,1352 0.573,1353 27.993,1354 22.929,1355 19.508,1356 0.434,1357 0.309,1358 12.855,1359 18.401,1360 12.427,1361 10.31,1362 19.962,1363 13.918,1364 17.499,1365 0.273,1366 0.162,1367 18.076,1368 10.387,1369 15.552,1370 0.173,1371 0.087,1372 16.271,1373 7.81,1374 13.4,1375 0.108,1376 0.044,1377 14.005,1378 5.462,1379 11.248,1380 0.071,1381 0.024,1382 11.928,1383 3.825,1384 0.201,1385 126.128,1386 0.181,1387 36.214,1388 0.329,1389 218,1390 620.535,1391 261.727,1392 628.073,1393 876.59,1394 590,1395 263,1396 656.606,1397 305.593,1398 674.973,1399 996.42,1400 636,1401 4.617}
{0 CHEMBL1331971,1 1.446,2 12.654,3 3.293,4 10.846,5 103.022,6 6.817,7 0.571,8 4.032,9 4.151,10 3.518,11 3.525,12 5.087,13 3.499,14 4.568,15 4.748,16 3.812,17 3.892,18 5.534,19 3.843,20 4.78,21 4.988,22 3.864,23 4.022,24 5.751,25 3.932,26 4.859,27 5.096,28 3.761,29 4.025,30 5.739,31 3.901,32 4.884,33 5.137,34 3.602,35 3.943,36 5.751,37 3.798,38 4.789,39 5.057,40 3.459,41 3.827,42 5.636,43 3.664,44 4.693,45 4.983,46 3.375,47 3.709,48 5.506,49 3.548,50 4.55,51 4.819,52 3.279,53 3.609,54 5.388,55 3.463,56 0.042,57 0.712,58 11.99,59 4.954,60 11.965,61 6.638,62 0.237,63 1.122,64 21.854,65 7.69,66 23.86,67 10.617,68 0.452,69 1.33,70 27.408,71 9.781,72 40.698,73 13.796,74 0.269,75 1.404,76 29.703,77 10.697,78 34.288,79 15.25,80 0.369,81 1.342,82 31.284,83 10.623,84 44.889,85 15.126,86 0.351,87 1.225,88 28.439,89 9.606,90 42.324,91 14.019,92 0.314,93 1.097,94 25.989,95 8.717,96 37.712,97 12.914,98 0.248,99 0.972,100 22.337,101 7.456,102 32.327,103 10.901,104 14,105 37,106 0.243,107 0.564,108 0.741,109 0.856,110 0.875,111 0.881,112 3.303,113 0.948,114 -3.44,115 -3.42,116 -3.27,120 40.4,122 1,125 2,126 3,128 1,143 8,144 2,145 2,152 1,153 1,174 9,177 5,182 1,185 9,188 1,189 6,192 1,193 1,194 1,197 6,201 4,204 1,206 2,209 1,214 1,219 5,227 1,230 1,232 6,240 1,243 1,245 5,252 2,257 2,260 3,264 1,267 1,271 5,274 994,275 17.947,276 17.947,277 17.947,278 17.947,279 17.947,280 16.066,281 18.726,282 10.773,283 18.497,284 13.707,285 13.707,286 13.707,287 13.707,288 13.707,289 10.795,290 19.442,291 4.938,292 14.417,293 4.254,294 2.344,295 1.289,296 0.606,297 0.491,298 0.452,299 3.988,305 1,306 1,307 1,308 703,309 3.606,312 65.24,313 175.962,316 121.225,320 1.861,321 18.293,323 1,324 1,325 1,326 0.83,327 1,328 0.5,329 1,330 1,331 0.9,332 56,333 329,334 4.527,335 3.208,336 6.533,337 4.033,338 3.072,339 4.474,340 0.86,341 10.3,342 2.957,343 4.264,344 3.125,345 6.165,346 3.852,347 2.899,348 3.909,349 0.86,350 9.124,351 2.766,352 3.565,353 2.649,354 5.291,355 3.338,356 2.388,357 2.866,358 0.4,359 6.668,360 2.26,361 3.521,362 2.572,363 5.251,364 3.238,365 2.267,366 2.808,368 6.626,369 2.188,370 3.162,371 2.178,372 4.82,373 2.819,374 1.872,375 2.319,377 5.26,378 1.768,379 3.045,380 2,381 4.366,382 2.542,383 1.61,384 2.244,386 4.127,387 1.54,388 2.919,389 1.673,390 4.152,391 2.521,392 1.546,393 2.057,395 3.722,396 1.461,397 2.633,398 1.546,399 3.606,400 2.333,401 1.392,402 1.689,404 2.974,405 1.306,406 2.441,407 1.184,408 3.547,409 2.117,410 1.143,411 1.436,413 2.698,414 1.111,415 2.071,416 1.127,417 3.156,418 1.668,419 0.743,420 0.908,422 1.538,423 0.678,424 1.92,425 0.936,426 3.048,427 1.593,428 0.631,429 0.83,431 1.333,432 0.606,433 1.533,434 0.698,435 2.875,436 1.336,437 0.421,438 0.46,440 0.803,441 0.379,442 1.391,443 0.606,444 2.565,445 1.163,446 0.287,447 0.31,449 0.416,450 0.251,451 0.945,452 0.076,453 2.418,454 0.672,455 -0.276,456 -0.319,458 -0.616,459 -0.259,460 0.784,461 -0.105,462 2.202,463 0.481,464 -0.436,465 -0.496,467 -0.916,468 -0.393,469 12.3,470 0.473,471 0.465,472 0.018,473 31.5,474 1.212,475 15,476 0.577,477 16.5,478 0.635,479 20.909,480 0.804,481 29.1,482 0.56,483 22.4,484 0.862,485 6.594,486 0.254,487 6.114,488 0.235,489 0.108,491 0.276,496 0.967,497 1.367,498 0.892,499 1.184,500 0.983,501 1.047,502 1.359,503 1.036,504 1.028,505 0.921,506 1.048,507 0.915,508 0.929,509 1.052,510 1.03,511 1.026,512 1.08,513 1.038,514 0.908,515 1.103,516 1.06,517 1.138,518 0.86,519 1.118,520 1.236,521 1.067,522 1.128,523 1.058,524 1.304,525 1.078,526 0.984,527 1.072,528 1.065,529 1.056,530 1.245,531 1.072,532 0.815,533 0.914,534 0.874,535 0.893,536 0.933,537 0.891,538 1.045,539 1.009,540 1.025,541 0.978,542 1.228,543 0.992,544 4.5,545 0.106,546 2.667,547 1.604,548 1.071,549 0.632,550 0.321,551 0.187,552 0.158,553 0.147,554 9225,555 22528,556 2.059,557 50,559 21,560 1,562 2,564 2,567 1.682,568 1.95,569 3.609,570 0.213,571 1,572 1,575 75.218,576 1.446,577 3.356,578 4.412,579 5.094,580 5.21,581 5.248,582 3.042,583 4.547,584 4.678,585 3.789,586 1231.34,587 8.054,588 16671.8,590 1,592 1,593 296.423,594 1.3,595 4.642,596 0.161,597 0.005,598 0.072,599 0.043,600 0.033,601 0.024,602 0.015,603 0.009,604 0.008,605 0.008,606 0.379,607 0.5,608 1,609 0.825,610 131.422,611 -0.046,612 -0.151,613 0.049,614 -0.062,615 -0.094,616 -0.003,617 -0.186,618 0.089,619 -0.034,620 0.097,621 -0.114,622 0.064,623 0.105,624 0.012,625 -0.05,626 -0.02,627 0.019,628 -0.054,629 -0.037,630 -0.081,631 -0.096,632 -0.148,633 -0.014,634 -0.131,635 -0.135,636 -0.121,637 -0.131,638 -0.098,639 -0.116,640 -0.114,641 -0.029,642 -0.127,643 -0.082,644 -0.106,645 -0.064,646 -0.106,647 0.046,648 0.006,649 0.106,650 0.044,651 0.082,652 0.077,653 -0.087,654 -0.052,655 -0.039,656 -0.032,657 -0.1,658 -0.028,659 1.767,660 4.308,661 0.577,662 23.941,663 0.996,664 1.127,665 2.208,666 4.874,667 0.644,668 3.367,669 3.638,670 3.892,671 4.111,672 4.234,673 4.19,674 4.205,675 4.143,676 4.007,677 4.025,678 7.5,679 0.606,680 354.49,681 3.367,682 4.875,683 5.707,684 6.561,685 7.409,686 8.268,687 9.122,688 9.984,689 10.841,690 11.704,691 3.8,693 1,699 1,708 2,709 9,714 3,715 1,716 16,735 2,738 52,739 16,740 2,741 28,743 54,744 21,745 14,746 5,747 7,752 3,753 4,766 2,768 14,769 7,785 1,786 1,789 26,790 4,791 2,792 5,797 2,803 0.667,804 3,806 1,818 1,822 1,823 2,826 1,849 1,853 1,855 2,859 2,862 26,868 1,869 4,871 1,872 2,874 1,886 5.8,887 1,891 2,893 13.333,894 9.567,895 6,896 2.922,898 2.918,899 1.415,900 0.934,901 6.553,902 9.956,903 3.611,904 4.186,905 4.782,906 5.352,907 5.795,908 5.942,909 6.179,910 6.357,911 5.957,912 6.012,913 1,914 37,915 9.603,917 3.919,918 7.622,919 18.6,921 14.843,924 2.122,925 55.167,928 1,929 282.506,930 133.865,931 19.91,933 64.683,936 133.865,937 347.19,938 19.91,939 21.766,940 8.852,941 145.551,943 40.144,944 13.915,945 270.735,947 282.506,948 153.775,949 64.683,952 258.964,953 45.542,954 42.683,956 28.761,957 125.013,960 282.506,961 84.593,962 133.865,965 282.506,966 27.241,967 108.523,968 18.011,969 64.683,970 282.506,971 84.593,972 133.865,973 0.562,974 0.338,975 0.186,976 0.095,977 16,978 7,979 0.167,980 9,981 1,982 1.133,983 3.956,984 200.217,985 0.133,986 15,987 120.211,993 18.768,994 9.078,995 4.797,996 2.345,997 82.694,998 18.246,1003 2.643,1004 2.093,1005 60.694,1006 500.964,1007 36,1020 51.789,1021 58.607,1022 0.254,1023 0.589,1024 0.774,1025 0.894,1026 0.914,1027 0.921,1028 4.812,1029 1.392,1030 5.659,1031 3.722,1032 4.317,1033 4.871,1034 1.454,1035 6.425,1036 4.226,1037 5.991,1038 1.143,1039 7.188,1040 2.974,1041 3.761,1042 4.62,1044 7.261,1045 3.616,1046 7.281,1047 0.743,1048 8.817,1049 2.698,1050 5.861,1051 7.089,1052 1.175,1053 10.336,1054 5.691,1055 8.614,1056 0.631,1057 10.51,1058 1.538,1059 6.176,1060 7.752,1062 12.042,1063 5.942,1064 9.984,1065 0.421,1066 12.243,1067 1.333,1068 7.69,1069 9.653,1070 0.966,1071 14.612,1072 7.442,1073 11.382,1074 0.287,1075 14.005,1076 0.803,1077 8.42,1078 10.748,1080 16.672,1081 8.108,1082 12.8,1083 -0.276,1084 15.788,1085 0.416,1086 9.691,1087 12.411,1088 0.788,1089 19.073,1090 9.362,1091 3.072,1092 -0.436,1093 17.587,1094 -0.616,1095 10.62,1096 13.712,1098 21.279,1099 10.233,1100 2.899,1101 10.3,1102 19.398,1103 -0.916,1104 11.788,1105 15.272,1106 0.634,1107 23.622,1108 11.378,1109 2.388,1110 9.124,1111 21.219,1112 4.474,1113 12.811,1114 16.67,1116 25.889,1117 12.349,1118 2.267,1119 6.668,1120 23.048,1121 3.909,1122 13.938,1123 18.186,1124 0.504,1125 28.212,1126 13.448,1127 1.872,1128 6.626,1129 24.883,1130 2.866,1131 15.004,1132 19.63,1134 30.507,1135 14.468,1136 1.61,1137 5.26,1138 26.723,1139 2.808,1140 16.116,1141 21.128,1142 0.395,1143 32.826,1144 15.547,1145 1.546,1146 4.127,1147 28.568,1148 2.319,1149 17.204,1150 22.594,1152 35.134,1153 16.591,1154 8901,1155 13988,1156 18.781,1157 33.512,1158 40.555,1159 41.264,1160 42.193,1161 40.501,1162 40.537,1163 52.62,1164 4.24,1165 111.182,1166 38.541,1167 5.461,1168 5.208,1169 6.22,1170 5.07,1171 5.072,1172 7.474,1173 1.72,1174 17.024,1175 4.957,1176 11.73,1177 1.448,1178 1.474,1179 1.507,1180 1.446,1181 1.448,1182 1.879,1183 0.151,1184 3.971,1185 1.376,1186 4.131,1187 4.167,1188 4.086,1189 4.039,1190 6.449,1191 4.046,1192 3.945,1193 3.967,1194 3.89,1195 3.863,1196 4.946,1197 3.866,1198 3.675,1199 3.734,1200 3.551,1201 3.492,1202 4.917,1203 3.497,1204 3.47,1205 3.531,1206 3.344,1207 3.302,1208 4.496,1209 3.304,1210 3.336,1211 3.389,1212 3.206,1213 3.182,1214 4.36,1215 3.178,1216 3.247,1217 3.314,1218 3.051,1219 2.955,1220 4.281,1221 2.963,1222 3.178,1223 3.255,1224 2.988,1225 2.927,1226 4.163,1227 2.93,1228 2.97,1229 3.047,1230 2.819,1231 2.821,1232 3.786,1233 2.811,1234 0.162,1235 0.115,1236 0.233,1237 0.144,1238 0.11,1239 4.527,1240 0.16,1241 3.208,1242 0.031,1243 6.533,1244 0.368,1245 4.033,1246 0.106,1247 3.072,1248 4.474,1249 0.86,1250 10.3,1251 2.957,1252 1.937,1253 1.911,1254 2.04,1255 2.042,1256 1.262,1257 2.042,1258 1.911,1259 1.891,1260 2.025,1261 2.015,1262 1.2,1263 2.018,1264 1.688,1265 1.631,1266 1.878,1267 1.884,1268 1.089,1269 1.887,1270 1.494,1271 1.429,1272 1.711,1273 1.723,1274 0.885,1275 1.723,1276 1.323,1277 1.272,1278 1.58,1279 1.549,1280 0.701,1281 1.561,1282 1.192,1283 1.116,1284 1.575,1285 1.523,1286 0.574,1287 1.539,1288 1.159,1289 1.078,1290 1.509,1291 1.424,1292 0.565,1293 1.454,1294 1.03,1295 0.965,1296 1.301,1297 1.222,1298 0.459,1299 1.254,1300 4.043,1302 5.323,1303 2.398,1304 6.799,1305 4.727,1306 8.367,1307 6.823,1308 9.983,1310 3.273,1314 10.308,1315 2.787,1317 3.325,1318 10.58,1320 -0.434,1326 31.509,1327 75.218,1328 174.535,1329 229.403,1330 264.913,1331 270.913,1332 272.913,1333 41.855,1334 7.038,1335 55.65,1336 55.65,1337 17,1338 12.254,1339 4.087,1340 3.17,1341 44.845,1342 121,1343 98,1344 0.179,1345 195.115,1346 331.97,1347 467.841,1348 11714,1350 18.355,1351 0.706,1352 0.589,1353 18.355,1354 15.313,1355 12.707,1356 0.454,1357 0.316,1358 8.694,1359 12.161,1360 8.441,1361 7.043,1362 12.707,1363 8.846,1364 10.687,1365 0.289,1366 0.171,1367 10.687,1368 6.324,1369 9.043,1370 0.188,1371 0.094,1372 9.043,1373 4.506,1374 7.434,1375 0.124,1376 0.052,1377 7.434,1378 3.129,1379 5.651,1380 0.083,1381 0.03,1382 5.651,1383 2.059,1384 0.294,1385 80.125,1386 0.231,1387 25.9,1388 0.455,1389 130,1390 363.599,1391 141.663,1392 344.381,1393 470.25,1394 326,1395 150,1396 336.659,1397 162.525,1398 344.112,1399 497.43,1400 321,1401 4}
{0 CHEMBL1332139,1 1.482,2 9.654,3 6.118,4 37.425,5 104.277,6 8.105,7 0.793,8 3.854,9 3.962,10 3.499,11 3.476,12 5.075,13 3.463,14 4.279,15 4.409,16 3.822,17 3.826,18 5.466,19 3.793,20 4.511,21 4.705,22 3.838,23 3.864,24 5.662,25 3.812,26 4.467,27 4.676,28 3.765,29 3.755,30 5.612,31 3.718,32 4.409,33 4.613,34 3.768,35 3.747,36 5.527,37 3.722,38 4.412,39 4.607,40 3.76,41 3.762,42 5.601,43 3.725,44 4.422,45 4.637,46 3.609,47 3.736,48 5.516,49 3.671,50 4.313,51 4.532,52 3.444,53 3.685,54 5.304,55 3.584,56 0.056,57 0.602,58 7.003,59 3.389,60 9.67,61 4.056,62 0.079,63 0.935,64 11.135,65 5.438,66 11.457,67 6.807,68 0.192,69 1.153,70 17.386,71 7.038,72 30.003,73 9.164,74 0.217,75 1.132,76 17.362,77 6.082,78 33.779,79 7.767,80 0.167,81 1.098,82 15.883,83 5.428,84 24.56,85 6.877,86 0.247,87 1.1,88 15.408,89 5.376,90 29.914,91 6.859,92 0.201,93 1.067,94 16.642,95 5.918,96 28.891,97 7.483,98 0.119,99 0.895,100 15.155,101 6.331,102 19.725,103 8.428,104 2,105 39,106 0.254,107 0.472,108 0.575,109 0.735,110 0.825,111 0.849,112 3.305,113 0.85,114 -5.24,115 -5.13,116 -4.8,120 50,143 14,144 2,145 2,147 1,153 1,163 1,167 1,174 15,176 1,177 2,180 2,182 2,185 14,188 1,189 6,192 2,194 5,197 8,201 9,204 1,206 5,209 4,214 11,219 4,222 8,227 11,230 1,231 1,232 3,235 10,240 7,245 1,247 10,252 2,257 2,260 12,269 4,271 15,274 986,275 18.121,276 18.121,277 18.121,278 18.121,279 18.121,280 15.241,281 7.831,282 11.07,283 18.337,284 14.37,285 14.37,286 14.37,287 14.37,288 14.37,289 10.183,290 4.869,291 5.308,292 14.757,293 3.91,294 2.633,295 2.031,296 1.095,297 0.571,298 0.429,299 4.007,307 1,308 550,309 2.345,312 70.731,313 259.168,320 1.426,321 16.945,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 55,333 251,334 4.537,335 3.187,336 6.725,337 4.14,338 3.172,339 4.259,341 10.996,342 3.075,343 4.189,344 2.983,345 6.024,346 3.759,347 2.797,348 3.817,350 8.558,351 2.687,352 3.909,353 2.511,354 5.763,355 3.506,356 2.511,357 3.473,359 7.796,360 2.498,361 3.741,362 2.432,363 5.297,364 3.265,365 2.325,366 3.243,368 6.799,369 2.18,370 3.279,371 1.868,372 4.607,373 2.789,374 1.81,375 2.576,377 4.61,378 1.768,379 2.967,380 1.698,381 4.197,382 2.515,383 1.524,384 2.164,386 3.854,387 1.509,388 2.956,389 1.524,390 4,391 2.485,392 1.516,393 2.132,395 3.42,396 1.469,397 2.854,398 1.485,399 3.604,400 2.39,401 1.414,402 1.997,404 2.984,405 1.372,406 2.581,407 1.099,408 3.495,409 2.067,410 1.081,411 1.599,413 2.607,414 1.065,415 2.5,416 1,417 3.437,418 2,419 1,420 1.5,422 2.136,423 1,424 2.5,425 1,426 3.247,427 2,428 1,429 1.5,431 2.136,432 1,433 2.259,434 0.759,435 3.247,436 1.693,437 0.759,438 1.128,440 2.105,441 0.707,442 2.25,443 0.65,444 3.155,445 1.574,446 0.6,447 0.95,449 1.413,450 0.583,451 1.149,452 0.113,453 2.517,454 0.756,455 -0.171,456 -0.214,458 -0.38,459 -0.157,460 0.842,461 -0.514,462 2.406,463 0.436,464 -0.544,465 -0.72,467 -1.317,468 -0.532,469 12.433,470 0.478,471 0.448,472 0.017,473 41.25,474 1.587,475 25,476 0.962,477 16.25,478 0.625,479 15.007,480 0.577,481 25.367,482 0.604,483 28.776,484 1.107,485 8.353,486 0.321,487 4.457,488 0.171,489 0.027,491 0.282,496 0.871,497 0.967,498 0.73,499 0.834,500 0.948,501 0.78,502 0.582,503 1.124,504 0.842,505 1.109,506 0.651,507 1.033,508 0.841,509 1.129,510 0.897,511 1.045,512 0.836,513 0.993,514 1.284,515 1.211,516 0.979,517 0.925,518 1.076,519 0.904,520 1.312,521 1.171,522 0.953,523 0.828,524 0.892,525 0.819,526 1.104,527 1.142,528 1.057,529 0.922,530 0.757,531 0.95,532 1.361,533 0.923,534 1.17,535 0.891,536 1.143,537 0.964,538 0.772,539 0.781,540 1.009,541 0.949,542 0.771,543 0.993,544 3.5,545 0.066,546 2.444,547 1.347,548 1.269,549 0.685,550 0.154,551 0.345,552 0.261,553 0.097,554 8158,555 21439,556 2.172,557 38.1,559 14,562 2,567 1.695,568 2.108,569 3.267,570 0.213,575 62.239,576 1.482,577 2.759,578 3.361,579 4.297,580 4.821,581 4.964,582 2.617,583 3.671,584 4.671,585 3.425,586 1113.12,587 8.118,588 14027.2,593 226.477,594 1.058,595 4.663,596 0.121,597 0.003,598 0.063,599 0.035,600 0.036,601 0.019,602 0.004,603 0.011,604 0.01,605 0.004,606 0.307,607 0.17,608 1,609 0.362,610 126.586,611 -0.013,612 0.068,613 0.027,614 0.069,615 -0.14,616 0.051,617 0.173,618 -0.102,619 -0.05,620 -0.196,621 0.014,622 -0.169,623 0.167,624 -0.122,625 0.053,626 -0.097,627 0.124,628 -0.053,629 -0.065,630 -0.136,631 0.011,632 -0.012,633 -0.018,634 0.005,635 -0.206,636 -0.052,637 0.004,638 0.06,639 -0.078,640 0.064,641 -0.003,642 -0.017,643 -0.123,644 -0.044,645 0.06,646 -0.084,647 -0.279,648 0.139,649 -0.193,650 0.037,651 -0.207,652 -0.037,653 -0.069,654 0.153,655 -0.039,656 0.063,657 -0.047,658 0.033,659 1.589,660 3.82,661 0.885,662 23.456,663 1.001,664 1.112,665 4.011,666 16.087,667 0.715,668 3.401,669 3.689,670 3.97,671 4.234,672 4.454,673 4.477,674 4.605,675 4.754,676 4.868,677 4.875,678 6.052,679 0.69,680 340.41,681 3.401,682 4.92,683 5.765,684 6.629,685 7.495,686 8.369,687 9.245,688 10.125,689 11.006,690 11.89,691 9.5,699 1,701 1,704 2,709 14,710 1,711 1,714 7,716 23,734 1,738 42,739 24,740 3,741 29,743 45,744 21,745 21,746 4,747 14,752 4,753 4,768 21,772 1,781 2,789 16,790 4,791 2,792 5,794 1,797 4,802 1,803 1,804 1,822 1,823 3,855 4,862 26,868 1,886 2.4,888 1,893 12.333,894 7.467,895 5.778,896 2.387,898 3.796,899 1.523,900 1.01,901 4.482,902 11.047,903 3.75,904 4.353,905 4.978,906 5.58,907 6.114,908 6.382,909 6.846,910 7.318,911 7.764,912 8.119,913 1,914 38,915 9.524,917 4.019,918 7.699,919 18.094,921 14.605,924 2.199,925 57.167,929 164.795,930 149.208,931 66.897,933 42.683,936 149.208,937 207.479,938 66.897,941 132.667,942 59.469,943 30.569,944 36.083,945 164.795,947 164.795,948 216.105,949 42.683,952 164.795,953 42.683,956 21.441,957 144.552,958 50.112,960 164.795,961 109.58,962 149.208,965 164.795,966 16.54,967 132.667,968 16.786,969 92.795,970 164.795,971 109.58,972 149.208,973 0.568,974 0.333,975 0.186,976 0.103,977 19,978 7,979 0.089,980 4,982 1,983 3.893,984 220.055,986 23,987 114.211,993 16.099,994 7.239,995 3.525,997 92.795,998 26.694,999 4.604,1000 3.233,1003 4.548,1005 59.469,1006 423.584,1007 41.5,1016 8.267,1020 42.036,1021 46.694,1022 0.275,1023 0.512,1024 0.623,1025 0.797,1026 0.894,1027 0.921,1028 4.94,1029 1.414,1030 5.714,1031 3.42,1032 4.369,1033 5.04,1035 6.494,1036 4.313,1037 6.139,1038 1.081,1039 7.244,1040 2.984,1041 3.761,1042 4.559,1044 7.334,1045 3.647,1046 7.424,1047 1,1048 8.881,1049 2.607,1050 5.916,1051 7.225,1053 10.471,1054 5.8,1055 8.75,1056 1,1057 10.586,1058 2.136,1059 6.217,1060 7.653,1062 12.223,1063 6.039,1064 10.111,1065 0.759,1066 12.336,1067 2.136,1068 7.771,1069 9.681,1071 14.849,1072 7.591,1073 11.499,1074 0.6,1075 14.118,1076 2.105,1077 8.503,1078 10.565,1080 16.965,1081 8.267,1082 12.907,1083 -0.171,1084 15.922,1085 1.413,1086 9.804,1087 12.291,1089 19.428,1090 9.558,1091 3.172,1092 -0.544,1093 17.744,1094 -0.38,1095 10.745,1096 13.421,1098 21.699,1099 10.451,1100 2.797,1101 10.996,1102 19.578,1103 -1.317,1104 11.94,1105 14.996,1107 24.109,1108 11.628,1109 2.511,1110 8.558,1111 21.422,1112 4.259,1113 12.983,1114 16.262,1116 26.448,1117 12.629,1118 2.325,1119 7.796,1120 23.274,1121 3.817,1122 14.137,1123 17.762,1125 28.844,1126 13.76,1127 1.81,1128 6.799,1129 25.133,1130 3.473,1131 15.229,1132 19.103,1134 31.214,1135 14.815,1136 1.524,1137 4.61,1138 26.997,1139 3.243,1140 16.37,1141 20.567,1143 33.607,1144 15.928,1145 1.516,1146 3.854,1147 28.867,1148 2.576,1149 17.488,1150 21.951,1152 35.99,1153 17.011,1154 7675,1155 12591,1156 20.167,1157 30.046,1158 43.838,1159 43.013,1160 43.661,1161 43.084,1162 43.016,1163 60.676,1165 118.829,1166 41.825,1167 5.222,1168 5.187,1169 6.526,1170 5.18,1171 5.172,1172 7.259,1174 18.139,1175 5.075,1176 6.595,1177 1.512,1178 1.483,1179 1.506,1180 1.486,1181 1.483,1182 2.092,1184 4.098,1185 1.442,1186 4.067,1187 4.107,1188 4.033,1189 3.969,1190 6.47,1191 3.977,1192 3.891,1193 3.918,1194 3.838,1195 3.811,1196 5.114,1197 3.813,1198 3.843,1199 3.874,1200 3.769,1201 3.789,1202 4.805,1203 3.781,1204 3.671,1205 3.728,1206 3.61,1207 3.497,1208 4.718,1209 3.522,1210 3.098,1211 3.172,1212 3.05,1213 2.885,1214 4.624,1215 2.914,1216 2.937,1217 2.972,1218 2.818,1219 2.746,1220 4.38,1221 2.75,1222 2.854,1223 2.925,1224 2.719,1225 2.735,1226 3.694,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.156,1235 0.11,1236 0.232,1237 0.143,1238 0.109,1239 4.537,1240 0.147,1241 3.187,1243 6.725,1244 0.379,1245 4.14,1246 0.106,1247 3.172,1248 4.259,1250 10.996,1251 3.075,1252 1.948,1253 1.924,1254 2.051,1255 2.023,1256 1.148,1257 2.033,1258 1.873,1259 1.847,1260 1.99,1261 1.985,1262 1.047,1263 1.981,1264 1.86,1265 1.831,1266 1.976,1267 1.941,1268 1.031,1269 1.958,1270 1.382,1271 1.315,1272 1.493,1273 1.676,1274 0.565,1275 1.628,1276 1.273,1277 1.225,1278 1.343,1279 1.432,1280 0.312,1281 1.416,1282 0.908,1283 0.856,1284 1.181,1285 1.164,1286 0.218,1287 1.138,1288 0.886,1289 0.835,1290 1.181,1291 1.115,1292 0.218,1293 1.117,1294 0.886,1295 0.821,1296 1.15,1297 1.062,1298 0.187,1299 1.107,1300 4.078,1302 5.371,1303 2.398,1304 6.866,1305 4.727,1306 8.447,1307 6.843,1308 10.073,1314 9.82,1326 28.961,1327 62.239,1328 115.871,1329 141.174,1330 180.477,1331 202.477,1332 208.477,1333 32.7,1334 7.251,1335 73.63,1336 73.63,1337 23,1338 12.424,1339 4.644,1340 3.755,1341 37.83,1342 95,1343 88,1344 0.197,1345 178.681,1346 299.93,1347 427.741,1348 12714,1350 17.769,1351 0.683,1352 0.534,1353 17.769,1354 13.872,1355 12.81,1356 0.442,1357 0.283,1358 8.142,1359 12.495,1360 7.986,1361 6.664,1362 12.81,1363 8.217,1364 11.06,1365 0.284,1366 0.146,1367 11.06,1368 5.705,1369 9.506,1370 0.183,1371 0.076,1372 9.506,1373 3.935,1374 7.932,1375 0.117,1376 0.039,1377 7.932,1378 2.677,1379 6.48,1380 0.076,1381 0.021,1382 6.48,1383 1.769,1384 0.304,1385 79.16,1386 0.223,1387 25.016,1388 0.553,1389 136,1390 375.418,1391 145.819,1392 377.481,1393 529.65,1394 354,1395 159,1396 406.563,1397 169.708,1398 414.79,1399 602.67,1400 392,1401 4.585}
{0 CHEMBL1332512,1 1.607,2 10.846,3 4.329,4 18.741,5 106.289,6 8.238,7 0.724,8 3.893,9 4.003,10 3.608,11 3.526,12 5.027,13 3.48,14 4.387,15 4.542,16 3.989,17 3.893,18 5.453,19 3.836,20 4.556,21 4.731,22 4.06,23 3.999,24 5.645,25 3.922,26 4.634,27 4.826,28 3.962,29 4.024,30 5.687,31 3.91,32 4.63,33 4.822,34 3.856,35 3.99,36 5.709,37 3.84,38 4.662,39 4.909,40 3.692,41 3.877,42 5.685,43 3.716,44 4.463,45 4.704,46 3.614,47 3.68,48 5.52,49 3.552,50 4.258,51 4.474,52 3.55,53 3.543,54 5.36,55 3.453,56 0.026,57 0.662,58 7.966,59 3.916,60 6.478,61 4.782,62 0.118,63 1.099,64 17.643,65 6.758,66 10.912,67 8.281,68 0.211,69 1.252,70 20.842,71 7.655,72 23.059,73 9.049,74 0.209,75 1.308,76 22.653,77 8.958,78 23.659,79 10.9,80 0.289,81 1.272,82 25.309,83 9.683,84 38.689,85 11.51,86 0.232,87 1.228,88 29.676,89 11.102,90 45.365,91 13.76,92 0.222,93 1.049,94 23.923,95 8.579,96 36.018,97 10.388,98 0.22,99 0.897,100 18.165,101 6.122,102 32.029,103 7.056,104 10,105 41,106 0.274,107 0.575,108 0.705,109 0.808,110 0.854,111 0.854,112 3.304,113 0.966,114 -5.3,115 -5.19,116 -4.85,120 45.5,121 2,126 1,143 9,144 1,145 1,152 1,153 2,158 1,162 1,163 1,167 1,174 7,176 2,177 12,185 7,189 8,197 5,200 1,201 5,209 12,213 2,214 4,222 10,226 1,227 5,235 5,239 2,240 7,247 4,251 1,252 5,260 5,264 7,271 4,274 968,275 17.759,276 17.759,277 17.759,278 17.759,279 17.759,280 15.095,281 11.998,282 10.452,283 18.195,284 14.294,285 14.294,286 14.294,287 14.294,288 14.294,289 10.324,290 9.462,291 4.925,292 15.033,293 3.852,294 2.085,295 1.319,296 0.716,297 0.443,298 0.443,299 4,306 1,307 1,308 623,309 3,312 132.039,313 159.664,316 112.307,320 1.639,321 16.666,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 55,333 282,334 4.626,335 4.481,336 6.912,337 4.226,338 3.264,339 4.473,340 3.325,341 11.505,342 3.149,343 4.523,344 3.661,345 6.526,346 3.964,347 3.061,348 4.366,349 1.133,350 10.265,351 2.767,352 3.97,353 3.268,354 6.089,355 3.614,356 2.621,357 3.455,359 8.623,360 2.59,361 3.55,362 2.897,363 5.149,364 3.12,365 2.145,366 2.9,368 6.069,369 2.099,370 3.395,371 2.411,372 5.07,373 2.904,374 1.993,375 2.746,377 5.76,378 1.79,379 3.046,380 2.316,381 4.817,382 2.673,383 1.689,384 2.318,386 4.737,387 1.657,388 3.029,389 2.076,390 4.23,391 2.511,392 1.546,393 2.185,395 3.79,396 1.489,397 2.899,398 1.596,399 4.118,400 2.45,401 1.463,402 2.033,404 3.458,405 1.44,406 2.654,407 1.546,408 3.594,409 2.136,410 1.201,411 1.72,413 2.812,414 1.11,415 2.5,416 1.318,417 3.551,418 2,419 1,420 1.5,422 2.55,423 1,424 2.415,425 1.154,426 3.247,427 1.944,428 0.981,429 1.358,431 2.136,432 0.937,433 2.141,434 1,435 3.209,436 1.643,437 0.686,438 0.973,440 1.609,441 0.645,442 1.637,443 0.847,444 2.943,445 1.177,446 0.27,447 0.352,449 0.631,450 0.237,451 1.087,452 0.297,453 2.6,454 0.852,455 -0.132,456 -0.152,458 -0.311,459 -0.129,460 0.724,461 0.146,462 2.369,463 0.249,464 -0.687,465 -0.856,467 -1.672,468 -0.617,469 12.767,470 0.491,471 0.61,472 0.023,473 36.75,474 1.413,475 20,476 0.769,477 16.75,478 0.644,479 20.038,480 0.771,481 26.233,482 0.596,483 25.08,484 0.965,485 7.21,486 0.277,487 5.438,488 0.209,489 0.104,491 0.337,496 0.637,497 1.171,498 0.698,499 0.91,500 0.55,501 0.871,502 0.689,503 1.232,504 0.901,505 1.094,506 0.596,507 0.9,508 1.292,509 1.011,510 0.938,511 0.911,512 1.12,513 0.895,514 1.086,515 1.015,516 1.053,517 1.021,518 1.058,519 1.069,520 1.09,521 1.042,522 1.32,523 1.252,524 1.383,525 1.241,526 0.93,527 0.955,528 1.051,529 1.093,530 1.296,531 0.996,532 1.162,533 0.918,534 1.03,535 1.008,536 1.465,537 0.898,538 1.662,539 0.925,540 1.104,541 0.874,542 1.769,543 0.821,544 4,545 0.101,546 3.333,547 2.646,548 1.273,549 0.733,550 0.517,551 0.286,552 0.264,553 0.19,554 8515,555 22212,556 2.124,557 40.9,559 11,560 1,563 6,567 1.689,568 2,569 3.399,570 -0.76,572 1,575 70.718,576 1.607,577 3.374,578 4.14,579 4.743,580 5.016,581 5.016,582 2.888,583 4.393,584 4.675,585 3.555,586 1155.32,587 8.087,588 14428,590 1,592 1,593 240.215,594 1.37,595 4.637,596 0.138,597 0.006,598 0.081,599 0.065,600 0.034,601 0.024,602 0.018,603 0.011,604 0.011,605 0.009,606 0.396,607 0.17,608 1,609 0.54,610 127.502,611 0.087,612 -0.106,613 0.079,614 -0.015,615 -0.02,616 -0.006,617 0.166,618 -0.167,619 0.085,620 -0.102,621 0.023,622 0.015,623 -0.154,624 0.049,625 0.035,626 0.049,627 -0.069,628 0.011,629 -0.068,630 -0.009,631 -0.087,632 -0.05,633 -0.034,634 -0.124,635 -0.001,636 -0.069,637 -0.22,638 -0.185,639 -0.08,640 -0.26,641 0.122,642 -0.084,643 0.068,644 -0.009,645 0.107,646 0.075,647 0.08,648 0.013,649 0.1,650 0.052,651 0.05,652 0.131,653 -0.188,654 0.105,655 -0.009,656 0.13,657 -0.136,658 0.125,659 1.571,660 5.802,661 0.769,662 22.249,663 1,664 1.114,665 4.07,666 16.561,667 0.715,668 3.401,669 3.738,670 4.06,671 4.344,672 4.466,673 4.466,674 4.554,675 4.615,676 4.585,677 4.682,678 6.367,679 0.674,680 362.49,681 3.401,682 4.949,683 5.82,684 6.711,685 7.596,686 8.492,687 9.383,688 10.281,689 11.175,690 12.074,691 9.1,699 2,701 2,708 1,709 10,710 2,714 5,715 1,716 21,721 1,738 44,739 22,740 1,741 29,743 47,744 20,745 16,746 1,747 5,748 1,752 4,753 5,759 2,768 17,769 3,772 1,778 1,782 1,786 1,789 18,790 3,792 6,793 1,797 4,803 0.75,804 1,816 1,818 1,822 2,823 2,826 1,855 3,856 1,857 1,859 2,862 26,869 1,873 1,883 1,886 2.3,889 1,893 13,894 8.717,895 5.694,896 2.568,898 3.796,899 1.513,900 1.019,901 4.559,902 11.196,903 3.726,904 4.382,905 5.039,906 5.659,907 6.081,908 6.311,909 6.669,910 6.987,911 7.006,912 7.303,913 1,914 41,915 9.588,917 4.07,918 7.654,919 18.409,921 15.101,924 2.154,925 56,928 1,929 211.88,930 164.101,931 36.512,933 25.145,935 32.22,936 131.881,937 237.025,938 36.512,939 17.65,940 0.9,941 94.334,942 65.32,943 9.821,944 17.285,945 232.328,947 211.88,948 168.393,949 25.145,950 32.22,952 211.88,953 25.145,956 24.144,957 110.923,958 33.326,959 32.22,960 211.88,961 61.657,962 164.101,965 211.88,966 52.117,967 115.17,969 58.471,970 211.88,971 61.657,972 164.101,973 0.583,974 0.357,975 0.203,976 0.102,977 21,978 9,979 0.106,980 5,981 1,982 1.1,983 3.843,984 221.968,985 0.1,986 20,987 118.211,989 1,993 16.923,994 7.005,995 3.184,996 0.782,997 58.471,998 19.699,999 8.294,1003 4.566,1004 2.115,1006 437.637,1007 40.5,1013 12.802,1017 0.095,1020 43.996,1021 49.029,1022 0.294,1023 0.618,1024 0.758,1025 0.869,1026 0.919,1027 0.919,1028 4.951,1029 1.463,1030 5.808,1031 3.79,1032 4.419,1033 5.069,1034 3.246,1035 6.655,1036 4.324,1037 6.18,1038 1.201,1039 7.39,1040 3.458,1041 4.007,1042 4.902,1044 7.644,1045 3.859,1046 7.502,1047 1,1048 9.078,1049 2.812,1050 6.038,1051 7.352,1052 5.517,1053 10.792,1054 5.839,1055 8.868,1056 0.981,1057 10.83,1058 2.55,1059 6.509,1060 8.084,1062 12.653,1063 6.248,1064 10.271,1065 0.686,1066 12.624,1067 2.136,1068 7.99,1069 9.964,1070 7.904,1071 15.308,1072 7.687,1073 11.701,1074 0.27,1075 14.447,1076 1.609,1077 8.854,1078 11.109,1080 17.502,1081 8.49,1082 13.151,1083 -0.132,1084 16.29,1085 0.631,1086 10.128,1087 12.759,1088 10.305,1089 19.997,1090 9.723,1091 3.264,1092 -0.687,1093 18.149,1094 -0.311,1095 11.162,1096 14.093,1098 22.322,1099 10.703,1100 3.061,1101 11.505,1102 20.019,1103 -1.672,1104 12.36,1105 15.647,1106 12.708,1107 24.765,1108 11.859,1109 2.621,1110 10.265,1111 21.897,1112 4.473,1113 13.467,1114 17.066,1116 27.145,1117 12.918,1118 2.145,1119 8.623,1120 23.783,1121 4.366,1122 14.638,1123 18.58,1124 15.111,1125 29.572,1126 14.049,1127 1.993,1128 6.069,1129 25.674,1130 3.455,1131 15.776,1132 20.037,1134 31.977,1135 15.145,1136 1.689,1137 5.76,1138 27.569,1139 2.9,1140 16.94,1141 21.535,1142 17.514,1143 34.401,1144 16.271,1145 1.546,1146 4.737,1147 29.468,1148 2.746,1149 18.093,1150 23.009,1152 36.818,1153 17.384,1154 7969,1155 13051,1156 19.592,1157 31.455,1158 44.458,1159 47.513,1160 45.394,1161 43.8,1162 43.84,1163 60.759,1164 8.917,1165 127.889,1166 41.818,1167 5.509,1168 6.481,1169 6.714,1170 5.374,1171 5.264,1172 7.473,1173 6.65,1174 18.866,1175 5.149,1176 10.745,1177 1.533,1178 1.638,1179 1.565,1180 1.51,1181 1.512,1182 2.095,1183 0.307,1184 4.41,1185 1.442,1186 4.103,1187 4.15,1188 4.162,1189 3.983,1190 7.427,1191 3.993,1192 4.052,1193 4.096,1194 4.023,1195 3.904,1196 5.151,1197 3.922,1198 3.782,1199 3.812,1200 3.741,1201 3.718,1202 4.849,1203 3.711,1204 3.444,1205 3.472,1206 3.617,1207 3.381,1208 4.572,1209 3.319,1210 3.266,1211 3.327,1212 3.196,1213 3.079,1214 4.423,1215 3.093,1216 3.18,1217 3.272,1218 2.981,1219 2.998,1220 3.868,1221 2.979,1222 2.916,1223 2.983,1224 2.904,1225 2.785,1226 3.836,1227 2.775,1228 2.858,1229 2.956,1230 2.728,1231 2.735,1232 3.674,1233 2.715,1234 0.16,1235 0.155,1236 0.238,1237 0.146,1238 0.113,1239 4.626,1240 0.154,1241 4.481,1242 0.115,1243 6.912,1244 0.397,1245 4.226,1246 0.109,1247 3.264,1248 4.473,1249 3.325,1250 11.505,1251 3.149,1252 1.916,1253 1.884,1254 2.03,1255 2.044,1256 1.125,1257 2.032,1258 1.892,1259 1.851,1260 1.985,1261 2.026,1262 1.078,1263 2.028,1264 1.685,1265 1.668,1266 1.811,1267 1.797,1268 0.979,1269 1.805,1270 1.543,1271 1.485,1272 1.758,1273 1.715,1274 0.856,1275 1.733,1276 1.333,1277 1.294,1278 1.521,1279 1.511,1280 0.744,1281 1.538,1282 1.114,1283 1.047,1284 1.257,1285 1.394,1286 0.353,1287 1.363,1288 0.932,1289 0.874,1290 1.191,1291 1.14,1292 0.266,1293 1.149,1294 0.886,1295 0.821,1296 1.181,1297 1.099,1298 0.248,1299 1.126,1300 4.078,1302 5.407,1303 3.045,1304 6.932,1305 5.476,1306 8.544,1307 7.618,1308 10.201,1310 4.014,1315 0.328,1319 1.41,1326 29.675,1327 70.718,1328 148.466,1329 182.176,1330 208.705,1331 220.705,1332 220.705,1333 36.371,1334 7.401,1335 52.19,1336 77.49,1337 22,1338 12.598,1339 4.524,1340 3.644,1341 38.16,1342 100,1343 88,1344 0.186,1345 186.074,1346 306.42,1347 445.781,1348 16968,1350 18.096,1351 0.696,1352 0.592,1353 18.449,1354 15.402,1355 12.648,1356 0.436,1357 0.322,1358 8.349,1359 11.829,1360 7.977,1361 6.654,1362 13.102,1363 9.336,1364 11.312,1365 0.276,1366 0.171,1367 11.863,1368 7.022,1369 9.983,1370 0.175,1371 0.093,1372 10.733,1373 5.304,1374 8.675,1375 0.114,1376 0.052,1377 9.414,1378 3.953,1379 6.497,1380 0.076,1381 0.03,1382 7.278,1383 2.601,1384 0.293,1385 82.951,1386 0.226,1387 25.182,1388 0.507,1389 140,1390 389.176,1391 174.879,1392 404.166,1393 564.98,1394 380,1395 168,1396 419.254,1397 201.5,1398 436.872,1399 641.18,1400 411,1401 6.796}
{0 CHEMBL1332524,1 1.794,2 11.733,3 3.317,4 11.002,5 113.934,6 8.57,7 0.485,8 4.045,9 4.141,10 3.764,11 3.573,12 5.222,13 3.564,14 4.582,15 4.723,16 4.156,17 3.95,18 5.84,19 3.931,20 4.775,21 4.954,22 4.151,23 4.059,24 5.907,25 4.015,26 4.77,27 4.935,28 4.18,29 4.066,30 5.986,31 4.011,32 4.8,33 4.991,34 4.129,35 4.045,36 5.964,37 3.981,38 4.837,39 5.036,40 4.157,41 4,42 6.191,43 3.929,44 4.714,45 4.899,46 4.073,47 3.882,48 5.958,49 3.835,50 4.563,51 4.708,52 4.028,53 3.789,54 5.944,55 3.757,56 0.204,57 0.76,58 8.628,59 4.614,60 10.992,61 5.155,62 0.569,63 1.213,64 19.666,65 7.553,66 58.478,67 8.628,68 0.681,69 1.402,70 27.229,71 9.577,72 47.017,73 10.905,74 0.608,75 1.403,76 25.789,77 9.874,78 58.22,79 11.364,80 0.587,81 1.413,82 26.573,83 10.377,84 54.372,85 12.628,86 0.984,87 1.434,88 32.545,89 10.351,90 122.176,91 12.427,92 0.841,93 1.279,94 30.31,95 8.887,96 87.644,97 9.587,98 0.812,99 1.124,100 26.661,101 7.582,102 88.533,103 7.213,104 22,105 46,106 0.299,107 0.641,108 0.768,109 0.838,110 0.845,111 0.845,112 3.441,113 0.939,114 -3.58,115 -3.55,116 -3.39,120 40,121 1,126 5,143 6,144 1,145 3,147 1,153 1,159 1,163 1,167 2,174 3,176 1,177 10,180 2,182 2,185 4,188 1,189 12,194 1,197 4,200 2,201 8,204 1,206 3,209 4,213 3,214 4,217 1,219 2,222 2,226 5,227 6,230 3,235 4,239 2,240 4,243 1,247 4,251 4,252 5,257 1,260 3,263 3,264 5,271 3,274 1550,275 20.386,276 20.386,277 20.386,278 20.386,279 20.386,280 18.181,281 28.319,282 12.14,283 21.203,284 16.287,285 16.287,286 16.287,287 16.287,288 16.287,289 12.788,290 37.456,291 5.718,292 17.519,293 3.85,294 1.798,295 1.035,296 0.615,297 0.575,298 0.575,299 4.136,306 1,307 1,308 758,309 3.606,312 65.44,313 280.292,316 126.293,320 1.702,321 40.286,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 67,333 352,334 4.508,335 3.788,336 6.682,337 4.117,338 3.144,339 4.436,340 2.612,341 10.784,342 3.068,343 4.454,344 3.61,345 6.276,346 3.932,347 3.011,348 4.149,349 1.058,350 9.604,351 2.773,352 4.085,353 3.113,354 5.905,355 3.598,356 2.642,357 3.614,358 0.86,359 8.15,360 2.528,361 3.778,362 3.052,363 5.679,364 3.442,365 2.499,366 3.189,367 0.86,368 7.516,369 2.351,370 3.603,371 2.719,372 5.317,373 3.253,374 2.324,375 2.816,376 0.8,377 6.847,378 2.132,379 3.271,380 2.408,381 5.064,382 2.874,383 1.96,384 2.482,386 5.909,387 1.783,388 3.099,389 2.104,390 4.483,391 2.623,392 1.692,393 2.288,395 4.339,396 1.554,397 3.007,398 2.067,399 4.412,400 2.445,401 1.518,402 2.228,404 4.265,405 1.39,406 2.805,407 1.593,408 3.881,409 2.296,410 1.352,411 1.834,413 3.096,414 1.269,415 2.535,416 1.531,417 3.732,418 2.04,419 1.108,420 1.487,422 2.633,423 1.025,424 2.239,425 1.468,426 3.485,427 1.986,428 1,429 1.203,431 2.478,432 0.971,433 2.219,434 1.256,435 3.258,436 1.952,437 1,438 1.186,440 2.136,441 0.946,442 2,443 1.224,444 3.247,445 1.933,446 1,447 1,449 1.945,450 0.923,451 1.883,452 1,453 3.081,454 1.349,455 0.445,456 0.634,458 1.058,459 0.395,460 1.118,461 0.528,462 2.817,463 0.749,464 -0.175,465 -0.209,467 -0.434,468 -0.159,469 14.1,470 0.47,471 0.712,472 0.024,473 40.25,474 1.342,475 20,476 0.667,477 20.25,478 0.675,479 24.416,480 0.814,481 32.7,482 0.654,483 31.504,484 1.05,485 7.836,486 0.261,487 6.71,488 0.224,489 0.106,491 0.34,496 0.622,497 1.269,498 0.674,499 0.995,500 0.517,501 0.919,502 0.912,503 1.099,504 0.8,505 0.92,506 0.48,507 0.859,508 1.076,509 0.986,510 0.986,511 0.876,512 0.684,513 0.857,514 0.84,515 1.143,516 0.954,517 1.139,518 1.006,519 1.1,520 0.727,521 1.095,522 0.839,523 1.06,524 0.917,525 1.047,526 0.775,527 0.993,528 1.041,529 1.028,530 0.905,531 0.966,532 1.273,533 1,534 1.274,535 1.027,536 1.408,537 0.878,538 1.394,539 1.029,540 1.586,541 1.242,542 1.72,543 1.003,544 6,545 0.126,546 3.111,547 2.229,548 1.538,549 1.299,550 0.736,551 0.534,552 0.322,553 0.297,554 11622,555 37034,556 2.087,557 40,559 16,562 1,564 3,567 1.732,568 1.957,569 3.477,570 -0.25,571 1,572 1,575 89.706,576 1.794,577 3.846,578 4.608,579 5.029,580 5.069,581 5.069,582 2.921,583 4.574,584 4.876,585 3.647,586 1586.4,587 8.525,588 21952.3,590 1,592 1,593 282.193,594 1.4,595 4.839,596 0.182,597 0.005,598 0.068,599 0.047,600 0.034,601 0.03,602 0.018,603 0.014,604 0.009,605 0.01,606 0.415,607 0.33,608 1,609 0.975,610 153.73,611 0.073,612 -0.102,613 0.071,614 -0.006,615 -0.008,616 -0.007,617 0.001,618 -0.018,619 0.101,620 0.075,621 0.153,622 0.075,623 -0.163,624 0.05,625 -0.02,626 0.117,627 -0.005,628 0.108,629 -0.008,630 -0.104,631 -0.018,632 -0.132,633 -0.04,634 -0.126,635 0.067,636 -0.102,637 0.077,638 -0.088,639 -0.026,640 -0.046,641 0.197,642 0.016,643 0.067,644 0.01,645 0.21,646 0.024,647 -0.14,648 0.046,649 -0.059,650 0.065,651 -0.147,652 0.079,653 -0.152,654 0.109,655 -0.272,656 -0.065,657 -0.202,658 -0.097,659 2.507,660 6.049,661 0.7,662 29.267,663 1.024,664 1.126,665 2.349,666 5.516,667 0.681,668 3.526,669 3.85,670 4.127,671 4.407,672 4.644,673 4.745,674 4.898,675 4.963,676 4.984,677 5.081,678 6.797,679 0.661,680 428.51,681 3.526,682 5.069,683 5.922,684 6.804,685 7.677,686 8.566,687 9.448,688 10.34,689 11.227,690 12.119,691 8,697 1,698 1,701 1,702 1,708 2,709 6,710 1,713 1,714 5,716 16,723 1,731 1,732 1,735 1,738 50,739 19,740 2,741 33,743 53,744 20,745 13,746 6,747 6,748 1,752 4,753 5,759 1,768 14,769 6,772 3,775 1,778 3,782 1,786 1,789 20,790 8,791 1,792 10,793 1,797 4,803 0.75,804 5,822 1,823 3,826 1,854 1,855 3,857 1,859 1,862 30,869 5,871 1,872 2,875 1,879 1,886 10,889 1,890 1,891 1,892 2,893 15.333,894 9.35,895 6.639,896 3.085,898 3.326,899 1.428,900 0.98,901 6.345,902 11.094,903 3.807,904 4.416,905 4.995,906 5.598,907 6.13,908 6.484,909 6.873,910 7.142,911 7.227,912 7.581,913 0.875,914 47,915 11.133,917 4.812,918 7.972,919 20.795,921 16.912,924 2.472,925 74.167,928 1,929 223.651,930 136.987,931 43.591,933 97.892,935 31.278,936 105.709,937 321.543,938 43.591,939 14.495,940 35.999,941 56.857,942 57.635,943 30.712,944 0.746,945 254.929,946 50.747,947 223.651,948 149.3,949 97.892,950 31.278,952 188.338,953 71.458,954 61.747,956 47.469,957 79.375,958 22.456,959 31.278,960 223.651,961 141.482,962 136.987,965 223.651,966 71.304,967 74.477,968 18.011,969 114.677,970 223.651,971 141.482,972 136.987,973 0.577,974 0.336,975 0.186,976 0.105,977 22,978 10,979 0.113,980 6,981 1,982 1.095,983 4.108,984 270.164,985 0.095,986 21,987 141.207,989 1,993 20.816,994 9.144,995 4.678,996 1.62,997 135.812,998 9.867,999 4.443,1002 1.322,1003 1.896,1005 18.011,1006 502.12,1007 44,1010 -0.507,1013 35.534,1017 -0.44,1020 51.189,1021 56.282,1022 0.318,1023 0.681,1024 0.817,1025 0.891,1026 0.898,1027 0.898,1028 5.043,1029 1.518,1030 5.905,1031 4.339,1032 4.533,1033 5.103,1034 2.91,1035 6.718,1036 4.406,1037 6.252,1038 1.352,1039 7.463,1040 4.265,1041 4.111,1042 5.017,1043 2.396,1044 7.603,1045 3.948,1046 7.568,1047 1.108,1048 9.121,1049 3.096,1050 6.125,1051 7.341,1052 4.232,1053 10.709,1054 5.894,1055 8.92,1056 1,1057 10.836,1058 2.633,1059 6.524,1060 8.087,1061 4.51,1062 12.424,1063 6.262,1064 10.306,1065 1,1066 12.589,1067 2.478,1068 8.003,1069 9.9,1070 5.96,1071 15.035,1072 7.689,1073 11.714,1074 1,1075 14.367,1076 2.136,1077 8.781,1078 11.022,1079 6.556,1080 17.103,1081 8.435,1082 13.139,1083 0.445,1084 16.164,1085 1.945,1086 10.043,1087 12.633,1088 7.796,1089 19.543,1090 9.654,1091 3.144,1092 -0.175,1093 17.975,1094 1.058,1095 11.001,1096 13.933,1097 8.548,1098 21.769,1099 10.581,1100 3.011,1101 10.784,1102 19.796,1103 -0.434,1104 12.173,1105 15.46,1106 9.67,1107 24.15,1108 11.717,1109 2.642,1110 9.604,1111 21.627,1112 4.436,1113 13.218,1114 16.846,1115 10.509,1116 26.447,1117 12.731,1118 2.499,1119 8.15,1120 23.465,1121 4.149,1122 14.355,1123 18.338,1124 11.563,1125 28.81,1126 13.837,1127 2.324,1128 7.516,1129 25.31,1130 3.614,1131 15.441,1132 19.766,1133 12.452,1134 31.141,1135 14.894,1136 1.96,1137 6.847,1138 27.16,1139 3.189,1140 16.568,1141 21.244,1142 13.468,1143 33.5,1144 15.992,1145 1.692,1146 5.909,1147 29.014,1148 2.816,1149 17.674,1150 22.694,1151 14.386,1152 35.848,1153 17.071,1154 11143,1155 20090,1156 22.076,1157 34.034,1158 49.64,1159 51.877,1160 51.002,1161 49.379,1162 49.393,1163 65.092,1164 12.382,1165 141.517,1166 46.214,1167 5.508,1168 5.788,1169 6.484,1170 5.251,1171 5.144,1172 7.436,1173 4.612,1174 17.918,1175 5.068,1176 14.489,1177 1.504,1178 1.572,1179 1.546,1180 1.496,1181 1.497,1182 1.972,1183 0.375,1184 4.288,1185 1.4,1186 4.078,1187 4.096,1188 4.322,1189 4.044,1190 7.815,1191 4.006,1192 4,1193 4.021,1194 3.987,1195 3.892,1196 7.429,1197 3.902,1198 3.737,1199 3.786,1200 3.654,1201 3.492,1202 6.999,1203 3.512,1204 3.569,1205 3.605,1206 3.575,1207 3.374,1208 4.998,1209 3.365,1210 3.483,1211 3.524,1212 3.445,1213 3.215,1214 4.701,1215 3.228,1216 3.327,1217 3.372,1218 3.222,1219 3.085,1220 4.606,1221 3.113,1222 3.111,1223 3.206,1224 3.135,1225 2.941,1226 4.546,1227 2.944,1228 3.11,1229 3.131,1230 2.866,1231 2.914,1232 4.109,1233 2.91,1234 0.137,1235 0.115,1236 0.202,1237 0.125,1238 0.095,1239 4.508,1240 0.134,1241 3.788,1242 0.079,1243 6.682,1244 0.327,1245 4.117,1246 0.093,1247 3.144,1248 4.436,1249 2.612,1250 10.784,1251 3.068,1252 1.947,1253 1.923,1254 2.032,1255 2.109,1256 1.247,1257 2.077,1258 1.894,1259 1.883,1260 1.96,1261 1.977,1262 1.108,1263 1.98,1264 1.645,1265 1.591,1266 1.855,1267 1.92,1268 1.042,1269 1.889,1270 1.46,1271 1.388,1272 1.781,1273 1.718,1274 0.927,1275 1.727,1276 1.405,1277 1.381,1278 1.513,1279 1.687,1280 0.825,1281 1.633,1282 1.168,1283 1.153,1284 1.415,1285 1.509,1286 0.495,1287 1.461,1288 1.153,1289 1.064,1290 1.229,1291 1.376,1292 0.293,1293 1.429,1294 1.011,1295 0.985,1296 1.159,1297 1.192,1298 0.252,1299 1.19,1300 4.205,1302 5.525,1303 2.398,1304 7.04,1305 4.727,1306 8.642,1307 6.823,1308 10.293,1310 1.91,1315 2.861,1317 2.792,1318 10.875,1321 1.995,1326 33.061,1327 89.706,1328 192.313,1329 230.418,1330 251.438,1331 253.438,1332 253.438,1333 60.73,1334 7.768,1335 109.51,1336 137.75,1337 23,1338 12.648,1339 4.322,1340 3.585,1341 46.905,1342 120,1343 148,1344 0.187,1345 204.986,1346 355.12,1347 491.927,1348 26048,1350 21.087,1351 0.703,1352 0.57,1353 21.441,1354 17.107,1355 14.546,1356 0.441,1357 0.313,1358 9.388,1359 13.269,1360 9.164,1361 7.511,1362 14.954,1363 10.324,1364 13.081,1365 0.284,1366 0.166,1367 13.75,1368 7.624,1369 10.847,1370 0.178,1371 0.092,1372 11.582,1373 5.612,1374 9.209,1375 0.114,1376 0.051,1377 10.127,1378 4.168,1379 7.473,1380 0.073,1381 0.027,1382 8.239,1383 2.808,1384 0.293,1385 97.134,1386 0.213,1387 28.218,1388 0.519,1389 158,1390 564.806,1391 206.126,1392 547.29,1393 733.37,1394 510,1395 186,1396 518.722,1397 228.723,1398 527.207,1399 773.91,1400 496,1401 4.823}
{0 CHEMBL1332589,1 1.838,2 11.793,3 3.421,4 11.703,5 106.369,6 10.704,7 0.548,8 3.902,9 3.979,10 3.756,11 3.44,12 5.24,13 3.466,14 4.355,15 4.448,16 4.155,17 3.794,18 5.811,19 3.81,20 4.545,21 4.668,22 4.289,23 3.895,24 5.941,25 3.888,26 4.613,27 4.746,28 4.321,29 3.837,30 6.061,31 3.852,32 4.583,33 4.733,34 4.149,35 3.79,36 5.996,37 3.794,38 4.531,39 4.666,40 4.349,41 3.795,42 6.14,43 3.787,44 4.481,45 4.64,46 4,47 3.76,48 5.741,49 3.707,50 4.411,51 4.567,52 3.929,53 3.608,54 5.702,55 3.574,56 0.273,57 0.602,58 3.006,59 3.512,60 14.886,61 3.269,62 0.576,63 0.888,64 7.832,65 5.974,66 62.018,67 5.548,68 0.741,69 1.059,70 15.844,71 7.447,72 61.187,73 6.824,74 0.862,75 1.084,76 26.058,77 7.932,78 85.995,79 6.746,80 0.926,81 1.039,82 21.653,83 7.657,84 104.415,85 7.138,86 1.026,87 0.97,88 19.311,89 7.503,90 121.977,91 7.052,92 0.719,93 0.922,94 24.097,95 8.063,96 75.363,97 8.231,98 0.751,99 0.854,100 19.905,101 6.978,102 70.517,103 6.475,104 41,105 43,106 0.314,107 0.642,108 0.763,109 0.875,110 0.901,111 0.901,112 3.408,113 0.867,114 -3.14,115 -3.13,116 -3.01,118 1,120 44.2,125 1,143 8,144 1,145 5,152 1,153 1,159 2,167 2,174 4,176 1,177 6,180 2,182 4,185 5,188 1,189 9,192 2,194 5,197 5,201 11,204 1,206 3,209 2,213 2,214 6,217 1,218 1,219 1,222 4,226 4,227 6,230 2,235 8,240 4,243 2,245 1,247 6,252 7,255 1,257 2,260 1,263 2,264 4,269 3,274 1361,275 19.231,276 19.231,277 19.231,278 19.231,279 19.231,280 16.622,281 24.182,282 11.2,283 19.654,284 15.189,285 15.189,286 15.189,287 15.189,288 15.189,289 11.173,290 31.463,291 5.194,292 15.804,293 3.588,294 1.675,295 0.965,296 0.314,297 0.157,298 0.157,299 4.083,306 1,307 1,308 718,309 3.937,312 96.063,313 216.806,320 1.952,321 45.243,324 1,325 0.67,326 1,327 0.4,329 1,330 1,331 0.72,332 65.25,333 342,334 4.425,335 3.788,336 6.443,337 4.012,338 3.044,339 4.122,340 2.612,341 9.885,342 2.936,343 4.304,344 3.611,345 6.231,346 3.92,347 2.948,348 3.932,349 1.058,350 9.356,351 2.871,352 4.12,353 3.58,354 5.971,355 3.726,356 2.732,357 3.68,358 1.058,359 8.421,360 2.696,361 4.037,362 3.077,363 5.852,364 3.547,365 2.578,366 3.566,367 0.86,368 7.913,369 2.491,370 3.599,371 2.88,372 5.325,373 3.196,374 2.257,375 2.925,377 6.792,378 2.11,379 3.279,380 2.34,381 4.773,382 2.801,383 1.841,384 2.509,386 4.992,387 1.747,388 3.182,389 2.205,390 4.497,391 2.72,392 1.752,393 2.387,395 4.518,396 1.635,397 2.912,398 1.996,399 4.103,400 2.447,401 1.477,402 2.011,404 3.618,405 1.419,406 2.875,407 1.936,408 3.866,409 2.197,410 1.235,411 2.005,413 2.962,414 1.131,415 2.545,416 1.369,417 3.738,418 2.043,419 1.036,420 1.507,422 2.677,423 1.038,424 2.286,425 1.04,426 3.257,427 1.802,428 0.801,429 1.139,431 1.901,432 0.797,433 2.118,434 1,435 3,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.777,443 0.943,444 2.938,445 1.432,446 0.517,447 0.62,449 0.935,450 0.465,451 1.379,452 0.771,453 2.816,454 1.055,455 0.117,456 0.141,458 0.241,459 0.103,460 1.243,461 0.618,462 2.462,463 0.718,464 -0.119,465 -0.151,467 -0.265,468 -0.074,469 14.033,470 0.484,471 0.788,472 0.027,473 42.25,474 1.457,475 23.5,476 0.81,477 18.75,478 0.647,479 20.863,480 0.719,481 30.367,482 0.706,483 33.526,484 1.156,485 8.589,486 0.296,487 5.295,488 0.183,489 0.226,491 0.349,496 0.642,497 1.103,498 0.48,499 0.796,500 0.547,501 0.776,502 0.8,503 1.131,504 0.599,505 0.841,506 0.528,507 0.849,508 0.907,509 1.165,510 0.983,511 0.999,512 0.78,513 1.012,514 1.196,515 1.206,516 1.163,517 1.17,518 1.199,519 1.071,520 1.114,521 0.844,522 0.798,523 0.877,524 1.242,525 0.926,526 0.745,527 0.821,528 0.897,529 0.905,530 0.769,531 0.915,532 0.903,533 0.995,534 1.084,535 1.062,536 0.78,537 1.102,538 1.127,539 1.066,540 0.922,541 1.066,542 0.955,543 1.156,544 6.5,545 0.203,546 3.778,547 1.903,548 1.917,549 1.274,550 0.528,551 0.461,552 0.324,553 0.216,554 10722,555 43619,556 1.993,557 32.6,559 11,560 1,562 2,567 1.718,568 1.832,569 3.54,570 0.33,572 1,575 79.051,576 1.838,577 3.751,578 4.461,579 5.112,580 5.269,581 5.269,582 2.974,583 4.582,584 4.83,585 3.727,586 1513.17,587 8.405,588 20954.8,593 233.329,594 1.519,595 4.768,596 0.21,597 0.01,598 0.088,599 0.043,600 0.046,601 0.033,602 0.014,603 0.014,604 0.012,605 0.009,606 0.477,607 0.33,608 0.88,609 0.904,610 148.693,611 0.029,612 0.027,614 0.017,615 -0.045,616 0.015,617 0.027,618 -0.088,619 0.018,620 0.03,621 0.119,622 0.012,623 -0.051,624 -0.123,625 -0.045,626 -0.051,627 -0.016,628 -0.097,629 -0.199,630 -0.197,631 -0.066,632 -0.183,633 -0.147,634 -0.131,635 -0.103,636 0.144,637 -0.016,638 0.04,639 -0.153,640 0.038,641 0.253,642 0.161,643 0.098,644 0.076,645 0.229,646 0.056,647 -0.047,648 -0.072,649 -0.062,650 -0.041,651 -0.049,652 -0.038,653 -0.158,654 -0.128,655 -0.037,656 -0.101,657 -0.125,658 -0.139,659 2.581,660 5.541,661 0.586,662 29.791,663 1.042,664 1.118,665 1.905,666 3.63,667 0.713,668 3.466,669 3.784,670 4.025,671 4.22,672 4.369,673 4.419,674 4.419,675 4.477,676 4.533,677 4.595,678 7.134,679 0.71,680 460.26,681 3.466,682 5.004,683 5.844,684 6.711,685 7.567,686 8.435,687 9.296,688 10.164,689 11.027,690 11.896,691 7,698 2,702 1,709 9,712 1,714 7,716 17,723 2,731 1,735 1,737 1,738 43,739 21,740 2,741 31,742 1,743 45,744 19,745 16,746 6,747 6,748 2,752 3,753 3,768 18,769 1,772 4,775 1,778 4,782 2,786 1,788 1,789 14,790 8,791 2,792 10,793 1,797 3,803 1,804 6,822 1,823 2,855 3,858 1,859 1,862 29,871 2,872 1,885 1,886 14,889 2,891 2,892 2,893 15.833,894 8.093,895 6.472,896 2.236,898 2.975,899 1.414,900 0.967,901 6.564,902 10.156,903 3.795,904 4.398,905 4.926,906 5.433,907 5.846,908 6.073,909 6.236,910 6.461,911 6.706,912 7.056,913 0.875,914 44,915 10.689,917 4.592,918 8.25,919 19.198,921 15.008,924 2.75,925 79.75,928 1,929 141.253,930 133.045,931 87.646,933 121.544,936 178.999,937 262.797,938 41.692,939 16.553,940 36.022,941 87.549,942 59.699,943 40.262,944 17.22,945 129.482,946 96.701,947 141.253,948 174.737,949 121.544,951 45.954,952 141.253,953 70.797,954 50.747,956 36.022,957 133.045,958 5.67,959 45.954,960 141.253,961 163.236,962 178.999,965 141.253,966 34.612,967 104.103,968 81.976,969 121.544,970 141.253,971 163.236,972 178.999,973 0.583,974 0.345,975 0.176,976 0.09,977 19,978 10,979 0.133,980 6,982 1,983 3.989,984 244.428,986 17,987 138.881,993 20.892,994 9.112,995 4.964,997 157.566,998 13.027,1001 5.042,1003 1.514,1005 36.022,1006 483.488,1007 43.5,1010 -0.581,1013 46.547,1017 -0.999,1020 44.8,1021 48.084,1022 0.339,1023 0.691,1024 0.822,1025 0.942,1026 0.971,1027 0.971,1028 5.019,1029 1.477,1030 5.838,1031 4.518,1032 4.466,1033 5.085,1034 2.899,1035 6.635,1036 4.395,1037 6.243,1038 1.235,1039 7.399,1040 3.618,1041 4.111,1042 4.966,1043 2.361,1044 7.519,1045 3.992,1046 7.558,1047 1.036,1048 9.058,1049 2.962,1050 6.057,1051 7.282,1052 4.246,1053 10.572,1054 5.929,1055 8.907,1056 0.801,1057 10.771,1058 2.677,1059 6.494,1060 7.952,1061 4.506,1062 12.231,1063 6.323,1064 10.284,1065 0.618,1066 12.517,1067 1.901,1068 7.918,1069 9.741,1070 5.965,1071 14.793,1072 7.736,1073 11.679,1074 0.517,1075 14.285,1076 1.372,1077 8.701,1078 10.762,1079 6.556,1080 16.773,1081 8.479,1082 13.088,1083 0.117,1084 16.068,1085 0.935,1086 9.921,1087 12.339,1088 7.797,1089 19.153,1090 9.684,1091 3.044,1092 -0.119,1093 17.862,1094 0.241,1095 10.864,1096 13.532,1097 8.548,1098 21.279,1099 10.589,1100 2.948,1101 9.885,1102 19.664,1103 -0.265,1104 12.002,1105 15.011,1106 9.67,1107 23.585,1108 11.706,1109 2.732,1110 9.356,1111 21.473,1112 4.122,1113 13.019,1114 16.292,1115 10.509,1116 25.782,1117 12.687,1118 2.578,1119 8.421,1120 23.286,1121 3.932,1122 14.124,1123 17.725,1124 11.563,1125 28.061,1126 13.766,1127 2.257,1128 7.913,1129 25.104,1130 3.68,1131 15.177,1132 19.053,1133 12.452,1134 30.292,1135 14.785,1136 1.841,1137 6.792,1138 26.925,1139 3.566,1140 16.27,1141 20.464,1142 13.468,1143 32.561,1144 15.849,1145 1.752,1146 4.992,1147 28.749,1148 2.925,1149 17.342,1150 21.819,1151 14.386,1152 34.811,1153 16.886,1154 10524,1155 21398,1156 19.997,1157 30.665,1158 46.433,1159 49.045,1160 47.94,1161 46.117,1162 45.907,1163 62.941,1164 11.178,1165 131.163,1166 44.114,1167 5.28,1168 5.788,1169 6.04,1170 5.052,1171 5.044,1172 7.122,1173 4.612,1174 16.542,1175 4.936,1176 17.277,1177 1.498,1178 1.582,1179 1.546,1180 1.488,1181 1.481,1182 2.03,1183 0.361,1184 4.231,1185 1.423,1186 4.025,1187 4.045,1188 6.88,1189 3.925,1190 7.815,1191 3.926,1192 3.945,1193 3.961,1194 3.96,1195 3.83,1196 7.431,1197 3.837,1198 3.857,1199 3.868,1200 3.891,1201 3.716,1202 7.427,1203 3.737,1204 3.546,1205 3.558,1206 3.81,1207 3.193,1208 6.999,1209 3.259,1210 3.326,1211 3.368,1212 3.484,1213 3.059,1214 5.052,1215 3.095,1216 3.252,1217 3.311,1218 3.235,1219 2.962,1220 4.862,1221 2.986,1222 3.15,1223 3.177,1224 3.125,1225 2.927,1226 4.657,1227 2.944,1228 2.808,1229 2.869,1230 3.028,1231 2.673,1232 4.401,1233 2.667,1234 0.143,1235 0.122,1236 0.208,1237 0.129,1238 0.098,1239 4.425,1240 0.133,1241 3.788,1242 0.084,1243 6.443,1244 0.319,1245 4.012,1246 0.095,1247 3.044,1248 4.122,1249 2.612,1250 9.885,1251 2.936,1252 1.936,1253 1.918,1254 1.996,1255 2.083,1256 1.117,1257 2.049,1258 1.872,1259 1.851,1260 1.945,1261 2.007,1262 1.068,1263 1.986,1264 1.535,1265 1.514,1266 1.672,1267 1.734,1268 0.722,1269 1.682,1270 1.358,1271 1.34,1272 1.573,1273 1.66,1274 0.575,1275 1.589,1276 1.276,1277 1.259,1278 1.479,1279 1.586,1280 0.41,1281 1.565,1282 1.191,1283 1.129,1284 1.325,1285 1.522,1286 0.304,1287 1.52,1288 1.092,1289 1.054,1290 1.19,1291 1.389,1292 0.185,1293 1.355,1294 0.897,1295 0.852,1296 1.11,1297 1.17,1298 0.159,1299 1.14,1300 4.143,1302 5.46,1303 2.398,1304 6.959,1305 4.443,1306 8.543,1307 6.293,1308 10.171,1309 3.215,1310 1.417,1317 5.298,1318 5.271,1326 30.539,1327 79.051,1328 161.29,1329 191.82,1330 219.82,1331 226.574,1332 226.574,1333 74.503,1334 7.181,1335 126.39,1336 126.39,1337 17,1338 12.441,1339 4.459,1340 3.755,1341 52.574,1342 125,1343 108,1344 0.205,1345 194.918,1346 343.46,1347 467.359,1348 12328,1349 2.3,1350 20.966,1351 0.723,1352 0.571,1353 21.966,1354 16.557,1355 13.884,1356 0.448,1357 0.289,1358 8.041,1359 12.55,1360 7.848,1361 6.51,1362 14.462,1363 8.963,1364 12.536,1365 0.292,1366 0.153,1367 13.278,1368 6.576,1369 10.329,1370 0.188,1371 0.083,1372 11.046,1373 4.549,1374 8.135,1375 0.121,1376 0.043,1377 8.766,1378 2.89,1379 5.981,1380 0.077,1381 0.023,1382 6.448,1383 1.805,1384 0.326,1385 97.571,1386 0.224,1387 27.768,1388 0.552,1389 148,1390 597.379,1391 235.005,1392 595.871,1393 772.71,1394 548,1395 172,1396 527.787,1397 226.751,1398 536.374,1399 774.55,1400 500,1401 5.002}
{0 CHEMBL1333268,1 1.696,2 10.4,3 2.989,4 8.933,5 91.971,6 9.225,7 0.444,8 3.797,9 3.863,10 3.535,11 3.335,12 5.06,13 3.359,14 4.282,15 4.388,16 3.913,17 3.666,18 5.548,19 3.694,20 4.43,21 4.522,22 4.111,23 3.744,24 5.863,25 3.783,26 4.426,27 4.544,28 3.964,29 3.745,30 5.924,31 3.734,32 4.474,33 4.64,34 3.922,35 3.746,36 5.779,37 3.709,38 4.385,39 4.524,40 3.853,41 3.582,42 5.737,43 3.574,44 4.123,45 4.213,46 3.779,47 3.375,48 5.675,49 3.409,50 4.019,51 4.122,52 3.551,53 3.378,54 5.463,55 3.347,56 0.151,57 0.492,58 4.857,59 3.471,60 6.374,61 3.463,62 0.477,63 0.767,64 11.875,65 5.581,66 24.163,67 5.514,68 0.731,69 0.841,70 15.564,71 6.366,72 50.948,73 5.884,74 0.715,75 0.856,76 14.769,77 6.779,78 63.331,79 7.077,80 0.559,81 0.888,82 18.508,83 7.645,84 46.03,85 8.607,86 0.686,87 0.75,88 21.976,89 6.656,90 66.904,91 6.249,92 0.763,93 0.578,94 15.62,95 4.63,96 60.808,97 4.06,98 0.471,99 0.562,100 10.164,101 4.603,102 30.991,103 4.76,104 30,105 38,106 0.301,107 0.59,108 0.675,109 0.784,110 0.821,111 0.83,112 3.267,113 0.852,114 -3.02,115 -3.02,116 -2.91,120 46.2,125 2,139 2,143 8,145 4,159 2,174 4,176 2,177 8,185 5,188 2,189 9,197 3,200 3,201 7,213 1,214 10,222 4,227 6,235 3,239 4,240 4,247 5,251 2,252 2,260 6,264 2,271 4,274 892,275 16.878,276 16.878,277 16.878,278 16.878,279 16.878,280 14.959,281 23.145,282 9.71,283 17.486,284 13.13,285 13.13,286 13.13,287 13.13,288 13.13,289 10.074,290 28.526,291 4.41,292 13.989,293 3.589,294 1.956,295 1.475,296 0.859,297 0.654,298 0.603,299 3.944,303 1,305 1,306 1,307 1,308 548,309 2.739,312 71.586,313 170.677,320 1.776,321 36.251,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 55.833,333 260,334 4.63,335 4.048,336 7.048,337 4.29,338 3.342,339 4.085,340 1.349,341 11.969,342 3.15,343 4.089,344 3.298,345 6.045,346 3.665,347 2.72,348 3.68,349 0.86,350 8.565,351 2.564,352 4.006,353 3.054,354 5.593,355 3.554,356 2.599,357 3.587,358 0.86,359 7.598,360 2.477,361 3.604,362 2.884,363 5.416,364 3.212,365 2.294,366 2.881,367 0.86,368 6.791,369 2.099,370 3.399,371 2.762,372 5.321,373 3.023,374 2.079,375 2.611,376 0.8,377 6.254,378 1.946,379 3.278,380 2.484,381 4.947,382 2.875,383 1.889,384 2.434,386 5.61,387 1.82,388 2.969,389 2.314,390 4.736,391 2.456,392 1.517,393 2.03,395 4.547,396 1.379,397 2.677,398 1.598,399 3.512,400 2.193,401 1.212,402 1.752,404 2.642,405 1.181,406 2.5,407 1.31,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 1.783,416 1.249,417 3.281,418 1.437,419 0.549,420 0.625,422 1.002,423 0.478,424 1.651,425 1,426 3.064,427 1.297,428 0.438,429 0.491,431 0.851,432 0.371,433 1.583,434 0.936,435 2.695,436 1.214,437 0.365,438 0.431,440 0.617,441 0.271,442 1.407,443 0.896,444 2.636,445 0.955,446 -0.043,447 -0.057,449 -0.09,450 -0.04,451 0.906,452 0.065,453 2.502,454 0.468,455 -0.455,456 -0.58,458 -1.096,459 -0.383,460 0.69,461 -0.196,462 2.099,463 0.271,464 -0.7,465 -0.913,467 -1.466,468 -0.667,469 11.781,470 0.471,471 0.627,472 0.025,473 35,474 1.4,475 18.5,476 0.74,477 16.5,478 0.66,479 17.171,480 0.687,481 26.619,482 0.683,483 27.374,484 1.095,485 7.36,486 0.294,487 4.685,488 0.187,489 0.202,491 0.373,496 0.762,497 1.312,498 0.545,499 1.047,500 0.585,501 0.879,502 1.043,503 1.01,504 0.649,505 0.781,506 0.716,507 0.711,508 1.039,509 1.024,510 0.792,511 1.003,512 0.929,513 0.868,514 0.753,515 1.09,516 0.792,517 1.039,518 0.735,519 1.032,520 0.905,521 1.03,522 0.805,523 0.916,524 1.159,525 0.899,526 1.588,527 0.964,528 1.55,529 0.976,530 1.72,531 0.91,532 1.251,533 0.755,534 1.446,535 0.914,536 1.416,537 0.828,538 0.68,539 1.178,540 1.053,541 1.259,542 1.072,543 1.255,544 5,545 0.058,546 2.889,547 2.736,548 1.659,549 1.021,550 0.666,551 0.506,552 0.206,553 0.102,554 6614,555 23065,556 2.015,557 35.9,559 14,567 1.682,568 1.852,569 3.325,570 -0.711,571 1,572 1,574 1,575 66.159,576 1.696,577 3.33,578 3.811,579 4.426,580 4.631,581 4.683,582 2.889,583 4.404,584 4.61,585 3.464,586 1039.22,587 7.986,588 12347.1,589 1,590 1,591 1,592 1,593 206.131,594 1.516,595 4.555,596 0.185,597 0.005,598 0.076,599 0.067,600 0.046,601 0.03,602 0.022,603 0.018,604 0.009,605 0.007,606 0.465,607 0.33,608 1,609 0.942,610 119.86,611 -0.059,612 -0.243,613 0.028,614 -0.139,615 -0.071,616 -0.048,617 -0.087,618 0.039,619 0.091,620 0.139,621 -0.041,622 0.16,623 0.072,624 -0.002,625 0.106,626 -0.068,627 0.059,628 -0.014,629 0.19,630 -0.092,631 0.039,632 -0.091,633 0.287,634 -0.114,635 -0.033,636 -0.072,637 0.167,638 0.073,639 -0.026,640 0.12,641 -0.36,642 -0.012,643 -0.179,644 0.044,645 -0.287,646 0.046,647 0.124,648 0.26,649 -0.134,650 0.067,651 0.033,652 0.017,653 0.217,654 -0.192,655 -0.138,656 -0.291,657 0.058,658 -0.342,659 2.31,660 5.615,661 0.68,662 22.096,663 1.032,664 1.113,665 1.788,666 3.197,667 0.704,668 3.332,669 3.664,670 3.97,671 4.22,672 4.407,673 4.431,674 4.575,675 4.644,676 4.673,677 4.654,678 5.945,679 0.695,680 359.78,681 3.332,682 4.875,683 5.74,684 6.627,685 7.51,686 8.406,687 9.299,688 10.201,689 11.1,690 12.005,691 2.6,698 1,709 8,714 4,716 12,735 3,738 39,739 15,740 2,741 27,743 41,744 18,745 12,746 4,747 8,748 4,749 1,752 3,753 3,754 1,768 16,769 2,771 1,772 3,778 2,782 4,785 1,786 1,789 14,790 6,792 7,793 1,797 1,800 1,803 1,804 5,822 1,823 2,845 2,855 3,859 2,860 1,862 25,872 3,875 1,885 1,886 12.8,889 2,891 3,893 13.5,894 7.843,895 5.667,896 2.068,898 2.414,899 1.343,900 0.958,901 5.086,902 9.457,903 3.611,904 4.19,905 4.749,906 5.26,907 5.727,908 5.832,909 6.182,910 6.485,911 6.703,912 6.898,913 1,914 41,915 9.242,917 3.972,918 8.058,919 16.828,921 13.205,924 2.558,925 63.944,929 164.795,930 134.216,931 3.124,932 39.149,933 83.29,936 134.216,937 287.234,938 3.124,939 21.766,940 3.124,941 75.81,942 68.443,943 51.487,945 164.795,946 39.149,947 164.795,948 137.341,949 83.29,950 39.149,952 164.795,953 83.29,956 3.124,957 125.472,958 47.893,960 164.795,961 86.414,962 173.365,965 164.795,966 36.64,967 100.7,969 122.438,970 164.795,971 86.414,972 173.365,973 0.58,974 0.361,975 0.19,976 0.101,977 18,978 9,979 0.122,980 5,982 1,983 3.599,984 206.651,986 17,987 112.096,993 17.484,994 7.272,995 3.396,997 86.414,998 13.119,1003 1.871,1006 424.574,1007 36,1013 24.989,1017 -1.78,1020 40.247,1021 43.396,1022 0.321,1023 0.63,1024 0.721,1025 0.837,1026 0.876,1027 0.886,1028 4.852,1029 1.212,1030 5.74,1031 4.547,1032 4.344,1033 4.875,1034 2.326,1035 6.586,1036 4.226,1037 6.067,1038 1,1039 7.328,1040 2.642,1041 4.007,1042 4.691,1043 0.325,1044 7.576,1045 3.814,1046 7.386,1047 0.549,1048 9.018,1049 2.275,1050 5.974,1051 7.033,1052 2.388,1053 10.707,1054 5.746,1055 8.741,1056 0.438,1057 10.765,1058 1.002,1059 6.463,1060 7.616,1061 0.931,1062 12.553,1063 6.147,1064 10.127,1065 0.365,1066 12.552,1067 0.851,1068 7.914,1069 9.452,1070 2.597,1071 15.241,1072 7.572,1073 11.535,1074 -0.043,1075 14.367,1076 0.617,1077 8.783,1078 10.396,1079 1.621,1080 17.462,1081 8.356,1082 12.962,1083 -0.455,1084 16.204,1085 -0.09,1086 10.05,1087 12.012,1088 2.938,1089 20.009,1090 9.589,1091 3.342,1092 -0.7,1093 18.06,1094 -1.096,1095 11.098,1096 13.146,1097 2.316,1098 22.388,1099 10.56,1100 2.72,1101 11.969,1102 19.931,1103 -1.466,1104 12.304,1105 14.652,1106 3.373,1107 24.889,1108 11.722,1109 2.599,1110 8.565,1111 21.816,1112 4.085,1113 13.432,1114 15.893,1115 2.996,1116 27.33,1117 12.781,1118 2.294,1119 7.598,1120 23.712,1121 3.68,1122 14.624,1123 17.342,1124 3.867,1125 29.817,1126 13.921,1127 2.079,1128 6.791,1129 25.618,1130 3.587,1131 15.79,1132 18.643,1133 3.659,1134 32.283,1135 15.023,1136 1.889,1137 6.254,1138 27.531,1139 2.881,1140 16.982,1141 20.063,1142 4.396,1143 34.766,1144 16.159,1145 1.517,1146 5.61,1147 29.451,1148 2.611,1149 18.166,1150 21.4,1151 4.307,1152 37.241,1153 17.281,1154 6563,1155 12416,1156 17.512,1157 27.466,1158 40.483,1159 43.419,1160 42.83,1161 39.98,1162 40.009,1163 52.215,1164 9.458,1165 117.445,1166 37.472,1167 5.546,1168 6.048,1169 6.641,1170 5.38,1171 5.342,1172 7.085,1173 2.549,1174 19.462,1175 5.15,1176 13.998,1177 1.499,1178 1.608,1179 1.586,1180 1.481,1181 1.482,1182 1.934,1183 0.35,1184 4.35,1185 1.388,1186 3.999,1187 4.013,1188 4.058,1189 3.882,1190 7.447,1191 3.897,1192 3.884,1193 3.902,1194 3.829,1195 3.801,1196 7.408,1197 3.804,1198 3.727,1199 3.73,1200 3.785,1201 3.603,1202 4.955,1203 3.621,1204 3.257,1205 3.316,1206 3.275,1207 2.975,1208 4.859,1209 2.992,1210 3.235,1211 3.301,1212 3.094,1213 2.964,1214 4.759,1215 2.973,1216 2.946,1217 2.967,1218 3.018,1219 2.747,1220 4.465,1221 2.758,1222 2.858,1223 2.925,1224 2.872,1225 2.735,1226 4.368,1227 2.715,1228 2.854,1229 2.838,1230 2.732,1231 2.641,1232 4.127,1233 2.643,1234 0.171,1235 0.15,1236 0.261,1237 0.159,1238 0.124,1239 4.63,1240 0.151,1241 4.048,1242 0.05,1243 7.048,1244 0.443,1245 4.29,1246 0.117,1247 3.342,1248 4.085,1249 1.349,1250 11.969,1251 3.15,1252 1.883,1253 1.86,1254 1.983,1255 1.995,1256 1.072,1257 1.99,1258 1.867,1259 1.85,1260 1.972,1261 1.978,1262 1.042,1263 1.974,1264 1.45,1265 1.467,1266 1.573,1267 1.603,1268 0.578,1269 1.568,1270 1.28,1271 1.255,1272 1.571,1273 1.584,1274 0.576,1275 1.559,1276 1.192,1277 1.12,1278 1.407,1279 1.494,1280 0.536,1281 1.507,1282 1.124,1283 1.059,1284 1.243,1285 1.424,1286 0.272,1287 1.396,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.844,1295 0.795,1296 1.107,1297 1.03,1298 0.171,1299 1.054,1300 4.007,1302 5.333,1303 2.398,1304 6.862,1305 4.949,1306 8.476,1307 7.182,1308 10.136,1310 3.042,1311 6.037,1318 15.711,1321 0.956,1326 27.111,1327 66.159,1328 129.866,1329 148.621,1330 172.621,1331 180.621,1332 182.621,1333 54.068,1334 7.043,1335 66.76,1336 66.76,1337 17,1338 12.525,1339 4,1340 3.322,1341 41.706,1342 88,1343 100,1344 0.237,1345 170.014,1346 307.48,1347 406.595,1348 9582,1349 2.6,1350 17.974,1351 0.719,1352 0.57,1353 18.474,1354 14.241,1355 12.045,1356 0.446,1357 0.284,1358 7.162,1359 11.133,1360 6.938,1361 5.771,1362 12.334,1363 7.672,1364 10.55,1365 0.278,1366 0.143,1367 10.884,1368 5.446,1369 9.482,1370 0.182,1371 0.075,1372 9.959,1373 3.913,1374 7.625,1375 0.114,1376 0.038,1377 7.956,1378 2.524,1379 5.915,1380 0.073,1381 0.02,1382 6.242,1383 1.616,1384 0.366,1385 80.149,1386 0.239,1387 24.109,1388 0.667,1389 130,1390 496.526,1391 162.993,1392 489.594,1393 647.56,1394 456,1395 155,1396 444.724,1397 188.564,1398 454.746,1399 669.29,1400 424,1401 5.734}
{0 CHEMBL1333687,1 1.64,2 8.619,3 3.42,4 11.695,5 86.026,6 7.959,7 0.286,8 3.794,9 3.904,10 3.396,11 3.282,12 4.843,13 3.241,14 4.362,15 4.551,16 3.633,17 3.604,18 5.402,19 3.532,20 4.495,21 4.691,22 3.746,23 3.727,24 5.517,25 3.651,26 4.597,27 4.792,28 3.846,29 3.834,30 5.67,31 3.735,32 4.692,33 4.904,34 3.833,35 3.915,36 5.678,37 3.768,38 4.705,39 4.922,40 3.876,41 3.827,42 5.774,43 3.668,44 4.499,45 4.732,46 3.533,47 3.604,48 5.451,49 3.44,50 4.386,51 4.632,52 3.403,53 3.335,54 5.375,55 3.213,56 0.044,57 0.521,58 8.533,59 4.084,60 5.922,61 5.266,62 0.443,63 0.77,64 22.437,65 6.456,66 34.579,67 8.483,68 0.401,69 0.887,70 25.277,71 7.486,72 30.16,73 10.046,74 0.517,75 0.97,76 24.181,77 8.738,78 48.543,79 11.485,80 0.372,81 0.999,82 34.692,83 10.464,84 41.72,85 13.656,86 0.759,87 0.927,88 37.941,89 9.932,90 68.222,91 12.619,92 0.365,93 0.763,94 27.729,95 8.182,96 40.949,97 10.702,98 0.505,99 0.61,100 25.231,101 6.237,102 45.945,103 8.018,104 60,105 26,106 0.297,107 0.577,108 0.803,109 0.823,110 0.823,111 0.823,112 3.102,113 1.13,114 -4.37,115 -4.3,116 -4.05,120 35.7,121 1,125 1,126 6,143 3,144 2,145 1,159 1,174 4,176 1,177 6,185 4,189 8,197 2,200 2,201 7,209 2,214 2,222 4,226 3,227 2,235 6,247 4,252 1,264 6,274 581,275 14.309,276 14.309,277 14.309,278 14.309,279 14.309,280 13.493,281 17.149,282 8.958,283 15.086,284 10.195,285 10.195,286 10.195,287 10.195,288 10.195,289 8.811,290 19.8,291 3.906,292 11.228,293 3.752,294 2.204,295 0.959,296 0.845,297 0.845,298 0.845,299 3.742,300 2,305 1,306 1,307 1,308 347,309 3.937,313 79.21,320 1.388,321 23.191,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 46.167,333 181,334 4.381,335 3.687,336 6.47,337 4.006,338 3.026,339 4.019,340 1.674,341 10.036,342 2.959,343 3.739,344 3.035,345 5.547,346 3.517,347 2.578,348 3.022,349 0.916,350 7.575,351 2.429,352 3.42,353 2.859,354 5.065,355 3.1,356 2.141,357 2.591,358 0.86,359 5.957,360 2.027,361 3.247,362 2.41,363 4.985,364 2.952,365 2.02,366 2.325,367 0.172,368 5.701,369 1.864,370 2.581,371 2.128,372 3.875,373 2.114,374 1.247,375 1.572,377 2.811,378 1.092,379 2.247,380 1.887,381 3.272,382 2.063,383 1.179,384 1.247,386 2.117,387 1.003,388 2.218,389 1.647,390 3.247,391 2.023,392 1.081,393 1.2,395 2.01,396 0.925,397 1.891,398 1.461,399 3.032,400 1.641,401 0.859,402 0.878,404 1.389,405 0.586,406 1.48,407 1.254,408 2.566,409 1.171,410 0.266,411 0.3,413 0.399,414 0.234,415 1.314,416 0.556,417 2.41,418 0.996,419 0.068,420 0.079,422 0.115,423 0.059,424 0.775,425 0.306,426 2.135,427 0.498,428 -0.393,429 -0.43,431 -0.632,432 -0.246,433 0.607,434 0.064,435 1.875,436 0.206,437 -0.445,438 -0.445,440 -0.725,441 -0.322,442 0.555,443 -0.228,444 1.555,445 0.175,446 -0.8,447 -0.969,449 -1.557,450 -0.753,451 0.293,452 -0.569,453 1.547,454 -0.011,455 -0.902,456 -1.133,458 -2.266,459 -0.816,460 -0.027,461 -0.737,462 1.39,463 -0.377,464 -1.256,465 -1.407,467 -2.874,468 -1.09,469 10.329,470 0.492,471 0.345,472 0.016,473 21,474 1,475 8,476 0.381,477 13,478 0.619,479 19.506,480 0.929,481 25.071,482 0.597,483 15.251,484 0.726,485 4.274,486 0.204,487 5.881,488 0.28,489 0.267,491 0.232,496 0.726,497 1.634,498 0.607,499 1.18,500 0.584,501 1.1,502 1.136,503 0.963,504 0.979,505 0.891,506 0.739,507 0.896,508 0.962,509 1.06,510 0.874,511 1.037,512 0.764,513 0.976,514 0.824,515 1.114,516 0.643,517 0.896,518 1.068,519 0.97,520 0.875,521 1.203,522 1.157,523 1.235,524 0.938,525 1.168,526 1.176,527 0.92,528 0.994,529 0.93,530 1.31,531 1.046,532 1.017,533 1.215,534 1.017,535 1.131,536 1.16,537 1.128,538 1.58,539 0.824,540 0.944,541 0.73,542 1.562,543 0.807,544 4,545 0.033,546 2,547 1.313,548 1.053,549 0.694,550 0.487,551 0.274,552 0.189,553 0.08,554 3495,555 13135,556 1.868,557 50,559 18,564 3,567 1.637,568 1.726,569 3.133,570 -0.704,572 1,574 1,575 68.88,576 1.64,577 3.188,578 4.434,579 4.547,580 4.547,581 4.547,582 2.553,583 4.107,584 4.358,585 3.26,586 684.614,587 7.499,588 7454.17,589 1,590 1,592 1,593 226.477,594 1.475,595 4.302,596 0.19,597 0.006,598 0.077,599 0.045,600 0.035,601 0.025,602 0.021,603 0.015,604 0.013,605 0.007,606 0.434,607 0.33,608 1,609 2.032,610 95.057,611 -0.019,612 -0.313,613 0.016,614 -0.153,615 -0.023,616 -0.077,617 -0.096,618 0.154,619 -0.102,620 0.062,621 0.017,622 0.053,623 -0.051,624 0.051,625 -0.058,626 -0.079,627 0.016,628 -0.009,629 0.085,630 -0.03,631 0.042,632 0.047,633 0.028,634 -0.004,635 -0.071,636 -0.185,637 -0.132,638 -0.2,639 -0.086,640 -0.145,641 -0.051,642 0.031,643 -0.013,644 0.042,645 -0.12,646 -0.086,647 -0.092,648 -0.266,649 -0.063,650 -0.153,651 -0.117,652 -0.144,653 -0.257,654 0.063,655 0.008,656 0.153,657 -0.22,658 0.086,659 2.068,660 4.84,661 0.286,662 17.81,663 1.011,664 1.133,665 3.135,666 9.829,667 0.654,668 3.091,669 3.296,670 3.497,671 3.689,672 3.829,673 3.807,674 3.807,675 3.761,676 3.638,677 3.258,678 5.367,679 0.61,680 334.27,681 3.091,682 4.554,683 5.352,684 6.188,685 7.018,686 7.868,687 8.71,688 9.565,689 10.412,690 11.269,691 2.4,694 1,709 3,714 3,716 6,726 1,735 1,738 42,739 7,740 1,741 21,743 42,744 15,745 6,746 3,747 3,748 1,750 2,752 1,753 1,754 2,759 3,768 7,769 8,772 1,778 1,782 1,785 1,786 1,789 21,790 4,792 6,793 2,797 1,803 1,804 3,823 1,851 1,855 1,859 2,860 2,862 21,869 6,872 2,875 1,885 2,886 7.1,889 1,891 2,893 12.167,894 7.986,895 5.222,896 2.512,898 1.293,899 1.217,900 0.89,901 8.884,902 7.259,903 3.258,904 3.676,905 4.147,906 4.619,907 5.087,908 5.183,909 5.378,910 5.359,911 5.266,912 4.969,913 0.833,914 29,915 7.746,917 2.997,918 7.876,919 14.673,921 10.907,924 2.376,925 49.889,928 1,929 247.193,930 83.552,931 3.124,932 78.297,933 47.145,936 83.552,937 372.635,938 3.124,939 19.708,940 16.609,941 28.429,942 32.336,943 36.739,945 325.49,947 247.193,948 86.676,949 47.145,950 78.297,952 211.88,953 82.458,956 28.558,957 58.118,958 78.297,960 247.193,961 50.269,962 161.849,965 247.193,966 35.415,967 51.261,969 125.442,970 247.193,971 50.269,972 161.849,973 0.533,974 0.318,975 0.182,976 0.101,977 8,978 5,979 0.19,980 8,982 1,983 3.189,984 141.89,986 6,987 86.239,993 18.4,994 10.14,995 5.927,997 50.269,998 5.532,1003 1.969,1006 459.311,1007 25,1013 11.84,1017 -0.401,1020 42.451,1021 47.582,1022 0.304,1023 0.591,1024 0.822,1025 0.843,1026 0.843,1027 0.843,1028 4.437,1029 0.859,1030 5.293,1031 2.01,1032 3.97,1033 4.357,1034 2.261,1035 6.043,1036 3.832,1037 5.569,1038 0.266,1039 6.815,1040 1.389,1041 3.434,1042 4.086,1043 0.325,1044 6.88,1045 3.33,1046 6.835,1047 0.068,1048 8.442,1049 0.399,1050 5.485,1051 6.397,1052 2.932,1053 9.948,1054 5.289,1055 8.141,1056 -0.393,1057 10.133,1058 0.115,1059 5.802,1060 6.984,1061 0.393,1062 11.62,1063 5.631,1064 9.486,1065 -0.445,1066 11.863,1067 -0.632,1068 7.288,1069 8.788,1070 3.841,1071 14.196,1072 7.056,1073 10.857,1074 -0.8,1075 13.621,1076 -0.725,1077 8.01,1078 9.766,1079 0.384,1080 16.223,1081 7.785,1082 12.247,1083 -0.902,1084 15.398,1085 -1.557,1086 9.26,1087 11.364,1088 4.834,1089 18.626,1090 8.998,1091 3.026,1092 -1.256,1093 17.191,1094 -2.266,1095 10.178,1096 12.537,1097 0.351,1098 20.81,1099 9.912,1100 2.578,1101 10.036,1102 18.996,1103 -2.874,1104 11.332,1105 14.037,1106 5.853,1107 23.15,1108 11.04,1109 2.141,1110 7.575,1111 20.811,1112 4.019,1113 12.344,1114 15.31,1115 0.312,1116 25.403,1117 12.04,1118 2.02,1119 5.957,1120 22.635,1121 3.022,1122 13.459,1123 16.76,1124 6.88,1125 27.719,1126 13.136,1127 1.247,1128 5.701,1129 24.465,1130 2.591,1131 14.517,1132 18.087,1133 0.273,1134 30.001,1135 14.178,1136 1.179,1137 2.811,1138 26.302,1139 2.325,1140 15.62,1141 19.511,1142 7.91,1143 32.31,1144 15.263,1145 1.081,1146 2.117,1147 28.143,1148 1.572,1149 16.699,1150 20.867,1151 0.236,1152 34.605,1153 16.325,1154 3848,1155 7506,1156 13.118,1157 27.46,1158 29.226,1159 31.523,1160 31.546,1161 29.166,1162 28.93,1163 34.466,1164 7.246,1165 76.221,1166 26.357,1167 5.235,1168 5.687,1169 6.272,1170 5.01,1171 5.026,1172 7.019,1173 3.349,1174 16.637,1175 4.959,1176 12.913,1177 1.392,1178 1.501,1179 1.502,1180 1.389,1181 1.378,1182 1.641,1183 0.345,1184 3.63,1185 1.255,1186 3.973,1187 3.995,1188 3.939,1189 3.889,1190 7.433,1191 3.894,1192 3.689,1193 3.748,1194 3.81,1195 3.51,1196 4.826,1197 3.507,1198 3.468,1199 3.537,1200 3.72,1201 3.265,1202 4.722,1203 3.254,1204 3.406,1205 3.427,1206 3.369,1207 3.206,1208 4.678,1209 3.171,1210 3.338,1211 3.402,1212 3.302,1213 3.136,1214 4.482,1215 3.163,1216 3.083,1217 3.152,1218 3.133,1219 2.914,1220 4.358,1221 2.899,1222 2.961,1223 3.021,1224 2.78,1225 2.774,1226 3.968,1227 2.758,1228 2.673,1229 2.747,1230 2.735,1231 2.452,1232 3.676,1233 2.436,1234 0.209,1235 0.176,1236 0.308,1237 0.191,1238 0.144,1239 4.381,1240 0.191,1241 3.687,1242 0.08,1243 6.47,1244 0.478,1245 4.006,1246 0.141,1247 3.026,1248 4.019,1249 1.674,1250 10.036,1251 2.959,1252 1.927,1253 1.909,1254 2.027,1255 2.036,1256 1.251,1257 2.034,1258 1.636,1259 1.573,1260 1.838,1261 1.85,1262 1.08,1263 1.856,1264 1.457,1265 1.384,1266 1.777,1267 1.696,1268 0.93,1269 1.725,1270 1.326,1271 1.261,1272 1.597,1273 1.6,1274 0.9,1275 1.592,1276 1.286,1277 1.255,1278 1.588,1279 1.517,1280 0.619,1281 1.57,1282 1.078,1283 1.01,1284 1.357,1285 1.292,1286 0.565,1287 1.325,1288 0.949,1289 0.888,1290 1.184,1291 1.171,1292 0.227,1293 1.176,1294 0.619,1295 0.541,1296 1.008,1297 0.928,1298 0.138,1299 0.959,1300 3.761,1302 4.99,1304 6.428,1306 7.972,1308 9.576,1310 3.232,1311 11.58,1315 3.74,1318 10.262,1321 2.136,1326 25.616,1327 68.88,1328 133.909,1329 186.213,1330 190.968,1331 190.968,1332 190.968,1333 53.714,1334 5.966,1335 38.77,1336 38.77,1337 6,1338 11.824,1339 3,1340 2.322,1341 53.373,1342 67,1343 63,1344 0.406,1345 171.001,1346 302.03,1347 409.003,1348 2186,1349 4.8,1350 15.665,1351 0.746,1352 0.663,1353 16.665,1354 13.914,1355 10.155,1356 0.484,1357 0.377,1358 6.805,1359 8.998,1360 6.477,1361 5.361,1362 10.862,1363 7.91,1364 7.956,1365 0.306,1366 0.199,1367 8.456,1368 5.165,1369 6.252,1370 0.195,1371 0.103,1372 6.54,1373 3.295,1374 4.97,1375 0.127,1376 0.063,1377 5.378,1378 2.472,1379 3.766,1380 0.084,1381 0.034,1382 4.028,1383 1.546,1384 0.622,1385 71.921,1386 0.276,1387 20.773,1388 1.15,1389 94,1390 343.258,1391 128.059,1392 369.97,1393 463.23,1394 348,1395 105,1396 263.612,1397 127.998,1398 275.387,1399 400.77,1400 255,1401 4.901}
{0 CHEMBL1333930,1 1.816,2 9.885,3 2.871,4 8.244,5 92.501,6 9.111,7 0.586,8 3.85,9 3.944,10 3.578,11 3.296,12 5.141,13 3.351,14 4.34,15 4.451,16 3.946,17 3.654,18 5.726,19 3.713,20 4.547,21 4.708,22 4.009,23 3.71,24 5.898,25 3.759,26 4.499,27 4.668,28 3.924,29 3.641,30 5.847,31 3.684,32 4.462,33 4.617,34 3.917,35 3.601,36 6.012,37 3.659,38 4.418,39 4.578,40 3.898,41 3.492,42 5.907,43 3.597,44 4.368,45 4.515,46 3.767,47 3.406,48 5.908,49 3.511,50 4.19,51 4.32,52 3.501,53 3.317,54 5.69,55 3.349,56 0.296,57 0.631,58 5.223,59 3.061,60 9.889,61 3.179,62 0.585,63 0.953,64 10.402,65 5.028,66 52.201,67 5.158,68 0.878,69 1.084,70 16.5,71 5.855,72 56.336,73 6.66,74 0.816,75 1.029,76 15.608,77 5.047,78 40.809,79 6.047,80 0.84,81 0.965,82 15.35,83 5.196,84 106.318,85 6,86 0.766,87 0.918,88 14.534,89 4.131,90 50.146,91 4.42,92 0.885,93 0.799,94 14.685,95 3.992,96 87.198,97 3.462,98 0.785,99 0.654,100 11.707,101 4.22,102 82.938,103 3.909,104 11,105 41,106 0.316,107 0.614,108 0.699,109 0.798,110 0.831,111 0.84,112 3.305,113 0.799,114 -4.27,115 -4.21,116 -3.97,120 41,126 2,143 8,145 4,148 2,167 5,174 5,176 4,177 4,180 1,182 2,185 5,188 6,189 8,192 4,194 2,197 3,200 6,201 7,204 2,206 1,213 5,214 13,219 2,226 3,227 18,232 1,239 2,240 10,243 1,247 4,251 3,252 2,255 1,260 6,263 2,264 2,271 4,274 976,275 17.706,276 17.706,277 17.706,278 17.706,279 17.706,280 15.237,281 24.844,282 10.467,283 18.182,284 14.328,285 14.328,286 14.328,287 14.328,288 14.328,289 10.589,290 35.416,291 4.986,292 15.112,293 3.47,294 1.763,295 1.269,296 0.705,297 0.513,298 0.462,299 4.003,305 1,306 1,307 1,308 564,309 2.828,312 67.684,313 218.854,317 114.812,320 1.518,321 38.602,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 59.5,333 257,334 4.707,335 3.848,336 6.869,337 4.222,338 3.269,339 4.627,340 2.612,341 11.4,342 3.111,343 4.276,344 3.47,345 6.25,346 3.854,347 2.912,348 3.918,349 0.86,350 9.385,351 2.74,352 3.959,353 3.238,354 6.021,355 3.507,356 2.55,357 3.524,358 0.86,359 8.468,360 2.444,361 3.895,362 2.714,363 5.465,364 3.416,365 2.454,366 3.443,367 0.4,368 7.079,369 2.347,370 3.542,371 2.496,372 5.234,373 3.003,374 2.047,375 2.9,377 6.075,378 1.95,379 2.969,380 2.18,381 4.548,382 2.532,383 1.618,384 2.135,386 4.455,387 1.5,388 2.923,389 2.097,390 4.379,391 2.516,392 1.551,393 2.061,395 4.012,396 1.468,397 2.832,398 1.848,399 3.894,400 2.35,401 1.413,402 1.885,404 3.053,405 1.311,406 2.691,407 1.555,408 3.619,409 2.174,410 1.198,411 1.757,413 2.905,414 1.164,415 2.5,416 1.259,417 3.595,418 2.063,419 1.097,420 1.5,422 2.751,423 1.057,424 2.447,425 1,426 3.247,427 2,428 1,429 1.442,431 2.136,432 1,433 1.893,434 1,435 3.18,436 1.564,437 0.666,438 0.791,440 1.562,441 0.592,442 1.578,443 0.997,444 2.997,445 1.113,446 0.164,447 0.213,449 0.432,450 0.155,451 1,452 0.763,453 2.642,454 0.56,455 -0.382,456 -0.477,458 -0.952,459 -0.355,460 0.997,461 -0.014,462 2.291,463 0.363,464 -0.591,465 -0.729,467 -1.386,468 -0.554,469 11.667,470 0.449,471 0.627,472 0.024,473 39.25,474 1.51,475 21.5,476 0.827,477 17.75,478 0.683,479 15.874,480 0.611,481 27.933,482 0.716,483 30.057,484 1.156,485 7.934,486 0.305,487 4.697,488 0.181,489 0.086,491 0.36,496 0.537,497 1.09,498 0.579,499 0.999,500 0.508,501 0.856,502 0.853,503 1.279,504 0.769,505 1.152,506 0.516,507 0.994,508 0.847,509 0.95,510 0.857,511 0.94,512 0.611,513 0.916,514 0.826,515 1.101,516 0.944,517 0.963,518 0.872,519 0.978,520 0.911,521 1.234,522 0.853,523 1.028,524 1.029,525 0.941,526 1.213,527 1.217,528 0.922,529 0.962,530 1.222,531 0.823,532 1.647,533 0.843,534 1.217,535 0.75,536 2.011,537 0.775,538 1.353,539 0.762,540 1.334,541 0.931,542 1.827,543 1.087,544 4.5,545 0.062,546 2.889,547 1.889,548 1.927,549 1.008,550 0.642,551 0.434,552 0.241,553 0.133,554 7784,555 26332,556 2.124,557 33.3,559 12,562 1,567 1.695,568 2,569 3.286,570 -0.18,571 1,572 1,574 1,575 70.806,576 1.816,577 3.522,578 4.016,579 4.58,580 4.773,581 4.824,582 2.763,583 4.393,584 4.67,585 3.409,586 1108.08,587 8.116,588 13457.1,589 1,590 1,591 1,592 1,593 206.131,594 1.37,595 4.637,596 0.155,597 0.005,598 0.07,599 0.045,600 0.051,601 0.027,602 0.017,603 0.014,604 0.01,605 0.007,606 0.401,607 0.17,608 1,609 0.721,610 125.51,611 0.167,612 0.111,613 0.076,614 -0.002,615 -0.01,616 -0.015,617 0.012,618 -0.187,619 0.009,620 -0.159,621 0.107,622 -0.111,623 0.092,624 0.08,625 0.08,626 0.002,627 0.082,628 0.014,629 0.072,630 -0.051,631 -0.008,632 -0.048,633 -0.005,634 -0.059,635 0.069,636 -0.238,637 0.101,638 -0.075,639 0.171,640 0.001,641 -0.166,642 -0.18,643 0.034,644 -0.085,645 -0.029,646 0.044,647 -0.37,648 0.139,649 -0.221,650 0.131,651 -0.322,652 0.068,653 -0.131,654 0.174,655 -0.367,656 0.051,657 -0.286,658 -0.17,659 2.714,660 5.645,661 0.808,662 22.811,663 1.043,664 1.133,665 3.038,666 9.227,667 0.676,668 3.401,669 3.738,670 4.043,671 4.331,672 4.585,673 4.663,674 4.787,675 4.942,676 5.081,677 5.081,678 5.827,679 0.687,680 355.34,681 3.401,682 4.949,683 5.814,684 6.703,685 7.59,686 8.488,687 9.384,688 10.286,689 11.187,690 12.093,691 12.8,699 2,701 1,702 2,709 8,710 1,714 6,715 1,716 17,729 1,731 1,735 2,738 39,739 20,740 2,741 29,743 42,744 16,745 14,746 4,747 8,752 4,753 5,768 14,769 2,772 3,775 1,778 3,785 1,786 1,789 13,790 7,791 1,792 10,797 5,803 0.75,804 5,822 1,823 3,827 1,855 3,862 26,869 2,871 1,872 2,883 1,886 12.8,891 2,892 3,893 13,894 7.05,895 5.667,896 2.186,898 3.072,899 1.41,900 0.994,901 4.361,902 10.567,903 3.726,904 4.373,905 4.969,906 5.567,907 6.11,908 6.425,909 6.806,910 7.245,911 7.65,912 7.935,913 0.857,914 42,915 9.606,917 4.252,918 8.135,919 17.471,921 14.134,924 2.635,925 68.5,929 141.253,930 105.651,931 45.047,933 98.12,936 105.651,937 239.373,938 45.047,939 8.719,940 9.185,941 75.81,942 16.663,943 57.665,944 4.656,945 141.253,946 76.12,947 141.253,948 150.698,949 98.12,952 141.253,953 22,954 76.12,956 28.85,957 96.466,958 25.382,960 141.253,961 143.167,962 105.651,965 141.253,966 29.841,967 86.184,968 18.011,969 114.783,970 141.253,971 143.167,972 105.651,973 0.583,974 0.345,975 0.192,976 0.11,977 21,978 9,979 0.095,980 4,981 1,982 1.095,983 3.767,984 227.432,985 0.095,986 21,987 116.211,993 16.627,994 6.819,995 3.197,997 132.794,998 13.404,999 3.834,1003 0.969,1004 0.891,1005 18.011,1006 390.072,1007 40.5,1010 -0.714,1013 35.314,1020 40.68,1021 44.199,1022 0.343,1023 0.666,1024 0.76,1025 0.867,1026 0.903,1027 0.913,1028 4.958,1029 1.413,1030 5.802,1031 4.012,1032 4.419,1033 5.059,1034 2.739,1035 6.637,1036 4.318,1037 6.183,1038 1.198,1039 7.375,1040 3.053,1041 4.007,1042 4.987,1043 2.361,1044 7.582,1045 3.857,1046 7.509,1047 1.097,1048 9.051,1049 2.905,1050 6.028,1051 7.338,1052 4.189,1053 10.718,1054 5.825,1055 8.876,1056 1,1057 10.789,1058 2.751,1059 6.463,1060 8.116,1061 4.506,1062 12.515,1063 6.204,1064 10.276,1065 0.666,1066 12.567,1067 2.136,1068 7.951,1069 9.941,1070 5.952,1071 15.167,1072 7.646,1073 11.701,1074 0.164,1075 14.373,1076 1.562,1077 8.775,1078 11.103,1079 6.556,1080 17.313,1081 8.412,1082 13.146,1083 -0.382,1084 16.198,1085 0.432,1086 10.052,1087 12.729,1088 7.795,1089 19.805,1090 9.645,1091 3.269,1092 -0.591,1093 18.038,1094 -0.952,1095 11.058,1096 14.075,1097 8.548,1098 22.103,1099 10.594,1100 2.912,1101 11.4,1102 19.89,1103 -1.386,1104 12.255,1105 15.625,1106 9.67,1107 24.542,1108 11.745,1109 2.55,1110 9.385,1111 21.752,1112 4.627,1113 13.345,1114 17.059,1115 10.509,1116 26.908,1117 12.78,1118 2.454,1119 8.468,1120 23.621,1121 3.918,1122 14.515,1123 18.584,1124 11.563,1125 29.333,1126 13.904,1127 2.047,1128 7.079,1129 25.497,1130 3.524,1131 15.646,1132 20.062,1133 12.452,1134 31.731,1135 14.982,1136 1.618,1137 6.075,1138 27.379,1139 3.443,1140 16.81,1141 21.581,1142 13.468,1143 34.154,1144 16.098,1145 1.551,1146 4.455,1147 29.265,1148 2.9,1149 17.961,1150 23.082,1151 14.386,1152 36.567,1153 17.198,1154 7361,1155 13740,1156 19.592,1157 26.347,1158 44.114,1159 46.271,1160 45.079,1161 43.884,1162 43.879,1163 60.392,1164 9.465,1165 127.428,1166 41.682,1167 5.651,1168 5.848,1169 6.671,1170 5.362,1171 5.269,1172 7.627,1173 4.612,1174 18.866,1175 5.111,1176 10.816,1177 1.521,1178 1.596,1179 1.554,1180 1.513,1181 1.513,1182 2.082,1183 0.326,1184 4.394,1185 1.437,1186 4.149,1187 4.206,1188 4.14,1189 3.913,1190 7.815,1191 3.949,1192 3.896,1193 3.92,1194 3.847,1195 3.812,1196 7.471,1197 3.811,1198 3.843,1199 3.87,1200 3.785,1201 3.621,1202 6.999,1203 3.676,1204 3.536,1205 3.566,1206 3.523,1207 3.241,1208 4.975,1209 3.253,1210 3.393,1211 3.441,1212 3.27,1213 2.9,1214 4.805,1215 3.043,1216 3.004,1217 3.084,1218 2.902,1219 2.806,1220 4.686,1221 2.819,1222 2.891,1223 2.932,1224 2.78,1225 2.735,1226 4.253,1227 2.72,1228 2.854,1229 2.925,1230 2.687,1231 2.715,1232 4.203,1233 2.715,1234 0.162,1235 0.133,1236 0.237,1237 0.146,1238 0.113,1239 4.707,1240 0.16,1241 3.848,1242 0.09,1243 6.869,1244 0.393,1245 4.222,1246 0.107,1247 3.269,1248 4.627,1249 2.612,1250 11.4,1251 3.111,1252 1.909,1253 1.887,1254 2.014,1255 2.098,1256 1.117,1257 2.053,1258 1.887,1259 1.858,1260 1.987,1261 2.022,1262 1.067,1263 2.003,1264 1.571,1265 1.534,1266 1.693,1267 1.918,1268 0.928,1269 1.833,1270 1.458,1271 1.405,1272 1.593,1273 1.844,1274 0.618,1275 1.759,1276 1.265,1277 1.2,1278 1.328,1279 1.58,1280 0.256,1281 1.565,1282 0.939,1283 0.882,1284 1.181,1285 1.279,1286 0.218,1287 1.227,1288 0.886,1289 0.821,1290 1.14,1291 1.081,1292 0.163,1293 1.107,1294 0.851,1295 0.803,1296 1.092,1297 1.062,1298 0.145,1299 1.084,1300 4.078,1302 5.407,1303 2.398,1304 6.938,1305 4.844,1306 8.558,1307 7.034,1308 10.223,1315 0.82,1317 2.744,1318 10.909,1326 26.788,1327 70.806,1328 137.376,1329 156.621,1330 178.621,1331 186.131,1332 188.131,1333 48.386,1334 7.496,1335 119.59,1336 119.59,1337 23,1338 12.612,1339 4.392,1340 3.644,1341 37.857,1342 90,1343 89,1344 0.207,1345 162.28,1346 278.41,1347 387.724,1348 17433,1350 18.096,1351 0.696,1352 0.514,1353 18.096,1354 13.363,1355 12.631,1356 0.436,1357 0.266,1358 7.532,1359 11.765,1360 7.486,1361 6.15,1362 12.631,1363 7.726,1364 11.448,1365 0.279,1366 0.132,1367 11.448,1368 5.411,1369 9.817,1370 0.175,1371 0.067,1372 9.817,1373 3.731,1374 8.295,1375 0.111,1376 0.034,1377 8.295,1378 2.562,1379 6.965,1380 0.072,1381 0.018,1382 6.965,1383 1.714,1384 0.318,1385 82.055,1386 0.226,1387 24.806,1388 0.593,1389 140,1390 547.591,1391 164.913,1392 509.54,1393 686.69,1394 472,1395 167,1396 524.021,1397 195.134,1398 507.846,1399 744.16,1400 477,1401 6.796}
{0 CHEMBL1334040,1 1.75,2 10.321,3 3.421,4 11.705,5 108.542,6 9.042,7 0.387,8 3.916,9 4.008,10 3.644,11 3.502,12 5.139,13 3.5,14 4.451,15 4.587,16 4.046,17 3.918,18 5.737,19 3.907,20 4.749,21 4.92,22 4.274,23 4.103,24 5.99,25 4.079,26 4.827,27 4.984,28 4.3,29 4.119,30 6.164,31 4.085,32 4.887,33 5.062,34 4.158,35 4.069,36 6.223,37 4.01,38 4.793,39 4.987,40 3.825,41 3.865,42 6.03,43 3.781,44 4.475,45 4.693,46 3.498,47 3.602,48 5.639,49 3.507,50 4.173,51 4.389,52 3.508,53 3.479,54 5.258,55 3.404,56 0.173,57 0.633,58 5.83,59 3.694,60 11.065,61 4.201,62 0.37,63 1.056,64 12.861,65 6.243,66 50.364,67 7.093,68 0.594,69 1.353,70 22.316,71 8.913,72 53.504,73 10.582,74 0.686,75 1.364,76 24.003,77 10.096,78 76.871,79 11.537,80 0.921,81 1.354,82 33.555,83 10.951,84 151.401,85 11.906,86 1.04,87 1.207,88 34.245,89 9.749,90 155.914,91 10.271,92 0.69,93 0.922,94 21.568,95 7.288,96 91.5,97 8.686,98 0.255,99 0.717,100 14.351,101 5.75,102 31.184,103 7.496,104 27,105 45,106 0.299,107 0.575,108 0.645,109 0.746,110 0.816,111 0.839,112 3.375,113 0.888,114 -4,115 -3.95,116 -3.74,120 45.5,126 4,139 2,143 8,144 2,145 2,158 2,167 2,174 9,176 1,177 4,185 8,188 3,189 13,197 5,200 3,201 13,209 2,213 1,214 7,222 2,226 2,227 5,235 1,239 3,240 3,252 3,260 2,263 1,264 6,271 6,274 1106,275 18.811,276 18.811,277 18.811,278 18.811,279 18.811,280 16.634,281 18.121,282 10.839,283 19.111,284 15.225,285 15.225,286 15.225,287 15.225,288 15.225,289 11.867,290 24.428,291 5.037,292 15.737,293 3.709,294 2.091,295 1.682,296 1.091,297 0.682,298 0.545,299 4.068,303 1,306 1,307 1,308 627,309 2.828,313 314.555,317 124.715,320 1.607,321 44.42,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 61.833,333 289,334 4.677,335 3.871,336 7.046,337 4.324,338 3.34,339 4.265,340 2.612,341 11.981,342 3.288,343 4.437,344 3.812,345 6.636,346 4.038,347 3.081,348 4.122,349 0.8,350 10.581,351 2.948,352 4.011,353 3.413,354 6.287,355 3.664,356 2.703,357 3.461,358 0.8,359 9.317,360 2.598,361 3.724,362 3.128,363 5.861,364 3.353,365 2.369,366 3.066,368 7.616,369 2.326,370 3.686,371 2.895,372 5.591,373 3.298,374 2.337,375 2.93,377 7.12,378 2.205,379 3.284,380 2.434,381 5.081,382 2.872,383 1.907,384 2.45,386 5.598,387 1.827,388 3.051,389 2.201,390 4.368,391 2.641,392 1.662,393 2.217,395 3.981,396 1.623,397 2.879,398 2.048,399 3.983,400 2.411,401 1.432,402 1.977,404 3.13,405 1.38,406 2.619,407 1.35,408 3.844,409 2.13,410 1.157,411 1.606,413 2.866,414 1.113,415 2.554,416 1.343,417 3.651,418 2.018,419 1.017,420 1.551,422 2.611,423 1.013,424 2.44,425 1.262,426 3.466,427 2,428 1,429 1.388,431 2.303,432 1,433 2.261,434 1.235,435 3.443,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3.414,445 1.582,446 0.548,447 0.865,449 1.336,450 0.521,451 1.292,452 1,453 3.01,454 0.993,455 0.102,456 0.114,458 0.257,459 0.08,460 1,461 0.867,462 2.544,463 0.56,464 -0.392,465 -0.471,467 -0.99,468 -0.361,469 13.248,470 0.473,471 0.772,472 0.028,473 38.5,474 1.375,475 20,476 0.714,477 18.5,478 0.661,479 21.834,480 0.78,481 29.352,482 0.667,483 30.91,484 1.104,485 7.727,486 0.276,487 5.759,488 0.206,489 0.155,491 0.393,496 0.437,497 1.211,498 0.537,499 0.9,500 0.466,501 0.846,502 0.663,503 1.122,504 0.671,505 0.867,506 0.454,507 0.851,508 0.65,509 0.941,510 0.713,511 0.913,512 0.56,513 0.871,514 0.851,515 1.171,516 0.855,517 1.113,518 0.894,519 1.071,520 1.315,521 1.063,522 1.4,523 1.132,524 1.248,525 1.14,526 1.578,527 0.882,528 1.636,529 1.084,530 1.612,531 1.204,532 1.061,533 0.819,534 1,535 0.843,536 1.207,537 1.018,538 0.53,539 0.99,540 0.648,541 0.905,542 0.462,543 0.877,544 4.5,545 0.19,546 4,547 3,548 2.373,549 1.222,550 0.562,551 0.323,552 0.304,553 0.3,554 9405,555 32482,556 2.072,557 36.4,559 16,567 1.71,568 1.909,569 3.304,570 -0.707,572 1,575 77.022,576 1.75,577 3.369,578 3.778,579 4.369,580 4.778,581 4.914,582 2.768,583 4.45,584 4.782,585 3.498,586 1322.39,587 8.313,588 17050.3,590 1,592 1,593 240.215,594 1.497,595 4.723,596 0.145,597 0.007,598 0.089,599 0.058,600 0.047,601 0.029,602 0.019,603 0.014,604 0.013,605 0.011,606 0.433,607 0.5,608 1,609 0.787,610 139.134,611 0.128,612 -0.074,613 0.034,614 0.002,615 0.012,616 -0.005,617 0.004,618 -0.005,619 0.018,620 0.04,621 0.113,622 0.033,623 0.099,624 0.119,625 0.147,626 0.029,627 0.088,628 0.083,629 0.065,630 -0.189,631 0.07,632 -0.141,633 0.025,634 -0.107,635 -0.196,636 -0.13,637 -0.209,638 -0.12,639 -0.121,640 -0.146,641 -0.332,642 0.046,643 -0.4,644 -0.08,645 -0.345,646 -0.204,647 -0.069,648 0.115,649 -0.067,650 0.139,651 -0.18,652 0.029,653 0.092,654 -0.046,655 0.272,656 0.106,657 0.082,658 0.216,659 2.401,660 5.928,661 0.786,662 23.679,663 1.026,664 1.118,665 2.765,666 7.648,667 0.705,668 3.466,669 3.829,670 4.174,671 4.466,672 4.71,673 4.745,674 4.89,675 5.017,676 5.136,677 5.187,678 6.275,679 0.692,680 397.84,681 3.466,682 5.03,683 5.916,684 6.821,685 7.723,686 8.631,687 9.538,688 10.448,689 11.357,690 12.269,691 6.8,694 1,697 1,702 1,709 8,714 4,716 12,721 2,731 1,732 1,738 44,739 17,740 2,741 31,743 47,744 20,745 12,746 4,747 8,748 4,749 1,752 4,753 5,754 1,768 16,769 4,771 1,772 5,775 1,778 4,782 4,786 1,789 16,790 6,792 8,793 1,797 3,803 0.75,804 4,823 4,827 1,845 2,851 1,855 3,860 1,862 28,869 4,875 2,885 1,886 9.1,889 2,892 2,893 14.667,894 8.076,895 6.111,896 2.673,898 2.952,899 1.379,900 0.997,901 4.919,902 10.741,903 3.761,904 4.357,905 4.945,906 5.475,907 5.954,908 6.083,909 6.384,910 6.579,911 6.908,912 7.057,913 0.857,914 52,915 10.444,917 4.698,918 8.123,919 19.246,921 16.179,924 2.623,925 73.444,928 1,929 188.338,930 112.642,931 11.919,932 39.149,933 101.037,936 112.642,937 328.523,938 11.919,939 5.67,940 8.423,941 75.81,942 66.814,943 18.133,945 188.338,946 89.896,947 188.338,948 124.56,949 101.037,950 39.149,952 188.338,953 50.29,954 50.747,956 11.547,957 101.086,958 51.076,960 188.338,961 112.955,962 151.79,965 188.338,966 36.832,967 87.729,969 140.185,970 188.338,971 112.955,972 151.79,973 0.591,974 0.369,975 0.208,976 0.112,977 23,978 11,979 0.064,980 3,981 1,982 1.091,983 3.816,984 255.435,985 0.091,986 22,987 128.606,993 18.665,994 7.38,995 3.225,997 107.285,998 13.217,1003 1.266,1006 453.083,1007 42,1010 -0.401,1013 48.047,1017 -0.47,1020 45.124,1021 49.183,1022 0.321,1023 0.617,1024 0.692,1025 0.8,1026 0.875,1027 0.9,1028 5.024,1029 1.432,1030 5.927,1031 3.981,1032 4.511,1033 5.043,1034 2.648,1035 6.812,1036 4.449,1037 6.245,1038 1.157,1039 7.538,1040 3.13,1041 4.205,1042 4.934,1043 2.431,1044 7.879,1045 4.097,1046 7.575,1047 1.017,1048 9.256,1049 2.866,1050 6.172,1051 7.235,1052 4.169,1053 11.038,1054 6.052,1055 8.943,1056 1,1057 11.034,1058 2.611,1059 6.698,1060 7.953,1061 4.513,1062 12.917,1063 6.541,1064 10.345,1065 1,1066 12.85,1067 2.303,1068 8.153,1069 9.742,1070 5.949,1071 15.611,1072 7.983,1073 11.771,1074 0.548,1075 14.692,1076 2.275,1077 9.044,1078 10.829,1079 6.557,1080 17.813,1081 8.846,1082 13.216,1083 0.102,1084 16.551,1085 1.336,1086 10.313,1087 12.419,1088 7.794,1089 20.352,1090 10.1,1091 3.34,1092 -0.392,1093 18.423,1094 0.257,1095 11.366,1096 13.681,1097 8.548,1098 22.694,1099 11.131,1100 3.081,1101 11.981,1102 20.305,1103 -0.99,1104 12.569,1105 15.185,1106 9.67,1107 25.18,1108 12.319,1109 2.703,1110 10.581,1111 22.195,1112 4.265,1113 13.693,1114 16.533,1115 10.509,1116 27.586,1117 13.426,1118 2.369,1119 9.317,1120 24.092,1121 4.122,1122 14.878,1123 18,1124 11.563,1125 30.056,1126 14.595,1127 2.337,1128 7.616,1129 25.994,1130 3.461,1131 16.034,1132 19.39,1133 12.452,1134 32.493,1135 15.736,1136 1.907,1137 7.12,1138 27.901,1139 3.066,1140 17.215,1141 20.84,1142 13.468,1143 34.959,1144 16.904,1145 1.662,1146 5.598,1147 29.812,1148 2.93,1149 18.387,1150 22.253,1151 14.386,1152 37.412,1153 18.062,1154 8981,1155 16818,1156 20.403,1157 31.023,1158 48.019,1159 51.275,1160 50.072,1161 47.397,1162 47.31,1163 62.025,1164 8.425,1165 141.943,1166 45.775,1167 5.677,1168 5.871,1169 6.725,1170 5.391,1171 5.34,1172 7.265,1173 4.612,1174 19.981,1175 5.288,1176 15.005,1177 1.549,1178 1.654,1179 1.615,1180 1.529,1181 1.526,1182 2.001,1183 0.272,1184 4.579,1185 1.477,1186 4.058,1187 4.085,1188 4.088,1189 3.968,1190 7.815,1191 3.975,1192 3.983,1193 4.001,1194 3.964,1195 3.866,1196 7.436,1197 3.877,1198 3.744,1199 3.803,1200 3.704,1201 3.581,1202 7.419,1203 3.587,1204 3.491,1205 3.513,1206 3.576,1207 3.353,1208 6.999,1209 3.353,1210 3.449,1211 3.476,1212 3.42,1213 3.035,1214 4.789,1215 3.133,1216 3.132,1217 3.206,1218 3.164,1219 2.941,1220 4.705,1221 2.97,1222 3.111,1223 3.127,1224 2.993,1225 2.94,1226 4.636,1227 2.91,1228 2.952,1229 3.018,1230 2.866,1231 2.773,1232 4.269,1233 2.778,1234 0.151,1235 0.125,1236 0.227,1237 0.139,1238 0.108,1239 4.677,1240 0.138,1241 3.871,1242 0.084,1243 7.046,1244 0.386,1245 4.324,1246 0.106,1247 3.34,1248 4.265,1249 2.612,1250 11.981,1251 3.288,1252 1.985,1253 1.972,1254 2.063,1255 2.121,1256 1.313,1257 2.098,1258 1.93,1259 1.9,1260 2.025,1261 2.056,1262 1.15,1263 2.041,1264 1.702,1265 1.644,1266 1.888,1267 1.906,1268 1.041,1269 1.897,1270 1.42,1271 1.397,1272 1.513,1273 1.652,1274 0.825,1275 1.56,1276 1.195,1277 1.165,1278 1.498,1279 1.555,1280 0.639,1281 1.543,1282 1.153,1283 1.064,1284 1.283,1285 1.376,1286 0.333,1287 1.429,1288 1.021,1289 1.011,1290 1.193,1291 1.24,1292 0.231,1293 1.207,1294 0.91,1295 0.846,1296 1.159,1297 1.142,1298 0.213,1299 1.144,1300 4.143,1302 5.493,1304 7.062,1306 8.731,1308 10.453,1311 6.274,1315 1.806,1321 3.704,1326 30.439,1327 77.022,1328 148.215,1329 166.215,1330 192.215,1331 210.215,1332 216.215,1333 68.417,1334 7.789,1335 86.44,1336 86.44,1337 24,1338 12.783,1339 4.17,1340 3.585,1341 42.474,1342 107,1343 86,1344 0.199,1345 188.47,1346 340.29,1347 451.628,1348 25991,1349 2.3,1350 19.836,1351 0.708,1352 0.556,1353 20.336,1354 15.556,1355 13.486,1356 0.435,1357 0.296,1358 8.704,1359 12.646,1360 8.541,1361 6.98,1362 13.775,1363 9.181,1364 12.298,1365 0.273,1366 0.155,1367 12.631,1368 6.964,1369 10.967,1370 0.171,1371 0.084,1372 11.422,1373 5.404,1374 9.416,1375 0.109,1376 0.046,1377 9.828,1378 3.979,1379 7.745,1380 0.07,1381 0.026,1382 8.032,1383 2.817,1384 0.309,1385 88.295,1386 0.221,1387 26.398,1388 0.555,1389 152,1390 520.081,1391 182.733,1392 525.58,1393 690.54,1394 484,1395 185,1396 479.134,1397 216.572,1398 487.015,1399 719.08,1400 458,1401 6.134}
{0 CHEMBL1334178,1 1.353,2 10.174,3 4.112,4 16.906,5 93.821,6 6.987,7 0.68,8 3.862,9 3.972,10 3.377,11 3.435,12 4.955,13 3.397,14 4.365,15 4.539,16 3.685,17 3.805,18 5.363,19 3.749,20 4.568,21 4.737,22 3.763,23 3.969,24 5.552,25 3.877,26 4.751,27 4.992,28 3.66,29 3.96,30 5.649,31 3.825,32 4.684,33 4.929,34 3.573,35 3.892,36 5.582,37 3.752,38 4.674,39 4.927,40 3.398,41 3.81,42 5.574,43 3.65,44 4.511,45 4.783,46 3.309,47 3.684,48 5.344,49 3.523,50 4.357,51 4.605,52 3.235,53 3.537,54 5.295,55 3.416,56 0.041,57 0.567,58 9.535,59 4.288,60 9.639,61 5.582,62 0.156,63 0.929,64 16.985,65 6.689,66 16.81,67 8.942,68 0.111,69 1.111,70 20.526,71 8.891,72 19.598,73 11.859,74 0.262,75 1.302,76 26.405,77 10.263,78 34.069,79 14.285,80 0.161,81 1.235,82 24.461,83 9.591,84 28.489,85 13.492,86 0.323,87 1.157,88 25.124,89 9.498,90 42.245,91 13.011,92 0.131,93 0.993,94 20.927,95 8.553,96 25.092,97 12.034,98 0.215,99 0.832,100 18.263,101 6.872,102 29.196,103 9.263,104 11,105 34,106 0.235,107 0.522,108 0.685,109 0.801,110 0.854,111 0.862,112 3.188,113 0.922,114 -4.73,115 -4.65,116 -4.37,120 45.5,125 2,126 2,143 10,144 4,145 2,174 13,177 4,182 2,185 16,189 5,194 2,197 12,201 6,204 1,206 2,209 5,214 3,219 2,222 4,226 1,227 1,232 2,235 7,245 2,247 11,252 1,257 2,260 13,264 1,271 8,274 709,275 15.662,276 15.662,277 15.662,278 15.662,279 15.662,280 13.599,281 15.76,282 9.287,283 15.973,284 12.276,285 12.276,286 12.276,287 12.276,288 12.276,289 9.226,290 20.107,291 4.337,292 12.691,293 4.106,294 2.447,295 1.505,296 0.841,297 0.534,298 0.489,299 3.871,306 1,307 1,308 502,309 3,313 193.289,317 101.656,320 1.486,321 12.978,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48.5,333 234,334 4.566,335 3.297,336 6.678,337 4.121,338 3.132,339 4.496,340 0.995,341 10.76,342 3.1,343 4.047,344 2.96,345 5.65,346 3.663,347 2.69,348 3.639,349 0.86,350 7.632,351 2.619,352 3.754,353 2.754,354 5.529,355 3.37,356 2.414,357 3.224,358 0.359,359 7.241,360 2.315,361 3.537,362 2.476,363 5.214,364 3.208,365 2.256,366 2.799,368 6.537,369 2.13,370 3.243,371 2.246,372 4.775,373 2.875,374 1.929,375 2.556,377 5.282,378 1.821,379 3.033,380 1.804,381 4.602,382 2.678,383 1.696,384 2.123,386 4.648,387 1.657,388 2.893,389 1.455,390 3.674,391 2.406,392 1.413,393 2.063,395 3.031,396 1.401,397 2.5,398 1.166,399 3.566,400 2,401 1,402 1.5,404 2.275,405 1,406 2.325,407 1.023,408 3.414,409 1.891,410 0.897,411 1.253,413 2.245,414 0.89,415 1.739,416 1,417 3.037,418 1.471,419 0.585,420 0.653,422 1.035,423 0.511,424 1.551,425 0.624,426 2.791,427 1.259,428 0.318,429 0.376,431 0.696,432 0.297,433 1.077,434 0.277,435 2.544,436 0.8,437 -0.138,438 -0.158,440 -0.28,441 -0.129,442 0.993,443 -0.198,444 2.342,445 0.562,446 -0.414,447 -0.549,449 -0.981,450 -0.401,451 0.656,452 -0.464,453 2.063,454 0.249,455 -0.726,456 -0.955,458 -1.856,459 -0.702,460 0.5,461 -0.612,462 2,463 0.076,464 -0.856,465 -0.981,467 -1.914,468 -0.786,469 11.067,470 0.481,471 0.503,472 0.022,473 31,474 1.348,475 17,476 0.739,477 14,478 0.609,479 16.175,480 0.703,481 24.333,482 0.553,483 21.786,484 0.947,485 6.5,486 0.283,487 4.669,488 0.203,489 0.12,491 0.307,496 0.935,497 1.182,498 0.862,499 1.043,500 0.971,501 0.959,502 1.221,503 0.832,504 0.943,505 0.796,506 0.733,507 0.816,508 0.919,509 1.271,510 1.078,511 1.223,512 0.897,513 1.18,514 0.896,515 1.081,516 1.011,517 1.025,518 1.04,519 1.03,520 0.768,521 1.157,522 1.026,523 1.119,524 0.872,525 1.097,526 1.238,527 0.915,528 1.137,529 0.958,530 1.628,531 1.027,532 0.588,533 0.943,534 0.846,535 0.972,536 0.66,537 0.944,538 1.429,539 0.711,540 0.991,541 0.758,542 1.186,543 0.814,544 4.5,545 0.091,546 2.444,547 1.375,548 1.449,549 0.583,550 0.487,551 0.259,552 0.111,553 0.125,554 5721,555 13861,556 2.067,557 47.7,559 20,562 1,567 1.656,568 1.944,569 3.286,570 -0.412,572 1,575 59.538,576 1.353,577 3.013,578 3.954,579 4.618,580 4.925,581 4.971,582 2.736,583 4.263,584 4.496,585 3.439,586 870.072,587 7.732,588 9942.93,590 1,592 1,593 240.215,594 1.371,595 4.458,596 0.18,597 0.008,598 0.072,599 0.039,600 0.048,601 0.022,602 0.022,603 0.012,604 0.006,605 0.008,606 0.418,607 0.5,608 1,609 0.777,610 108.054,611 -0.031,612 -0.088,613 0.044,614 -0.012,615 -0.101,616 0.016,617 -0.152,618 0.266,619 0.015,620 0.182,621 -0.013,622 0.135,623 -0.052,624 -0.247,625 -0.152,626 -0.213,627 -0.033,628 -0.2,629 0.018,630 -0.088,631 -0.036,632 -0.059,633 -0.038,634 -0.058,635 -0.005,636 -0.15,637 -0.066,638 -0.155,639 0.023,640 -0.121,641 -0.088,642 0.043,643 -0.133,644 0.001,645 -0.2,646 -0.062,647 0.067,648 -0.006,649 0.116,650 0.014,651 0.107,652 0.063,653 -0.162,654 0.244,655 0.026,656 0.207,657 -0.042,658 0.151,659 1.315,660 4.249,661 0.696,662 17.456,663 0.991,664 1.115,665 3.503,666 12.268,667 0.671,668 3.258,669 3.555,670 3.807,671 4.043,672 4.277,673 4.22,674 4.263,675 4.29,676 4.29,677 4.248,678 5.884,679 0.63,680 307.42,681 3.258,682 4.779,683 5.617,684 6.482,685 7.338,686 8.207,687 9.07,688 9.94,689 10.807,690 11.679,691 2.3,694 1,708 2,709 10,714 4,716 17,734 1,735 1,738 44,739 17,740 3,741 25,743 46,744 20,745 16,746 6,747 10,752 3,753 4,768 16,769 4,786 1,789 21,790 3,791 1,792 3,797 1,803 0.667,804 2,823 3,827 1,851 1,855 2,859 2,862 23,868 1,869 2,872 1,875 1,886 4.5,888 1,891 1,893 11.833,894 8.4,895 5.167,896 2.429,898 3.299,899 1.478,900 0.962,901 4.724,902 10.198,903 3.541,904 4.159,905 4.76,906 5.348,907 5.927,908 6.078,909 6.365,910 6.669,911 6.967,912 6.832,913 0.857,914 35,915 8.473,917 3.485,918 7.609,919 16.416,921 13.21,924 2.109,925 48.5,928 1,929 235.422,930 135.014,931 3.124,933 53.683,936 135.014,937 289.105,938 3.124,939 19.279,940 4.211,941 94.762,942 42.683,943 30.885,945 235.422,947 235.422,948 138.138,949 53.683,952 235.422,953 53.683,956 7.336,957 130.802,960 235.422,961 56.808,962 135.014,965 235.422,966 20.972,967 117.166,969 53.683,970 235.422,971 56.808,972 135.014,973 0.573,974 0.338,975 0.183,976 0.104,977 16,978 7,979 0.109,980 5,981 1,982 1.125,983 3.547,984 178.695,985 0.125,986 16,987 98.042,993 15.691,994 6.924,995 3.593,996 2.257,997 56.808,998 19.969,1003 3.403,1005 42.683,1006 427.243,1007 33.5,1020 43.592,1021 49.069,1022 0.248,1023 0.552,1024 0.724,1025 0.846,1026 0.902,1027 0.91,1028 4.747,1029 1,1030 5.587,1031 3.031,1032 4.234,1033 4.844,1034 1.51,1035 6.368,1036 4.177,1037 5.952,1038 0.897,1039 7.127,1040 2.275,1041 3.761,1042 4.62,1043 0.325,1044 7.222,1045 3.663,1046 7.252,1047 0.585,1048 8.766,1049 2.245,1050 5.796,1051 7.088,1052 1.266,1053 10.309,1054 5.697,1055 8.591,1056 0.318,1057 10.464,1058 1.035,1059 6.133,1060 7.709,1061 0.504,1062 12.017,1063 6.003,1064 9.961,1065 -0.138,1066 12.202,1067 0.696,1068 7.631,1069 9.64,1070 1.104,1071 14.635,1072 7.505,1073 11.356,1074 -0.414,1075 13.969,1076 -0.28,1077 8.363,1078 10.689,1079 0.585,1080 16.72,1081 8.218,1082 12.77,1083 -0.726,1084 15.758,1085 -0.981,1086 9.635,1087 12.381,1088 0.988,1089 19.18,1090 9.492,1091 3.132,1092 -0.856,1093 17.565,1094 -1.856,1095 10.567,1096 13.655,1097 0.622,1098 21.432,1099 10.413,1100 2.69,1101 10.76,1102 19.386,1103 -1.914,1104 11.745,1105 15.237,1106 0.901,1107 23.837,1108 11.59,1109 2.414,1110 7.632,1111 21.22,1112 4.496,1113 12.778,1114 16.625,1115 0.639,1116 26.16,1117 12.615,1118 2.256,1119 7.241,1120 23.064,1121 3.639,1122 13.92,1123 18.158,1124 0.836,1125 28.546,1126 13.754,1127 1.929,1128 6.537,1129 24.917,1130 3.224,1131 15.003,1132 19.604,1133 0.646,1134 30.899,1135 14.83,1136 1.696,1137 5.282,1138 26.777,1139 2.799,1140 16.134,1141 21.116,1142 0.787,1143 33.279,1144 15.956,1145 1.413,1146 4.648,1147 28.644,1148 2.556,1149 17.242,1150 22.59,1151 0.648,1152 35.644,1153 17.057,1154 5570,1155 8742,1156 16.701,1157 29.529,1158 36.897,1159 37.229,1160 38.02,1161 36.677,1162 36.662,1163 49.364,1164 4.427,1165 102.765,1166 35.484,1167 5.438,1168 5.297,1169 6.362,1170 5.127,1171 5.132,1172 7.496,1173 1.855,1174 17.909,1175 5.1,1176 10.359,1177 1.476,1178 1.489,1179 1.521,1180 1.467,1181 1.466,1182 1.975,1183 0.177,1184 4.111,1185 1.419,1186 4.099,1187 4.118,1188 4.055,1189 4.055,1190 6.469,1191 4.052,1192 3.923,1193 3.95,1194 3.86,1195 3.851,1196 4.876,1197 3.849,1198 3.583,1199 3.647,1200 3.479,1201 3.441,1202 4.835,1203 3.442,1204 3.438,1205 3.482,1206 3.329,1207 3.276,1208 4.405,1209 3.28,1210 3.243,1211 3.311,1212 3.072,1213 3.023,1214 4.228,1215 3.023,1216 3.073,1217 3.135,1218 2.926,1219 2.917,1220 4.128,1221 2.91,1222 2.892,1223 2.993,1224 2.687,1225 2.735,1226 3.779,1227 2.715,1228 2.854,1229 2.925,1230 2.656,1231 2.71,1232 3.674,1233 2.679,1234 0.183,1235 0.132,1236 0.267,1237 0.165,1238 0.125,1239 4.566,1240 0.18,1241 3.297,1242 0.04,1243 6.678,1244 0.43,1245 4.121,1246 0.124,1247 3.132,1248 4.496,1249 0.995,1250 10.76,1251 3.1,1252 2.078,1253 2.061,1254 2.156,1255 2.138,1256 1.334,1257 2.145,1258 1.906,1259 1.881,1260 2.024,1261 2.007,1262 1.171,1263 2.014,1264 1.555,1265 1.504,1266 1.766,1267 1.76,1268 0.91,1269 1.767,1270 1.416,1271 1.359,1272 1.622,1273 1.588,1274 0.683,1275 1.598,1276 1.201,1277 1.134,1278 1.567,1279 1.499,1280 0.585,1281 1.523,1282 1.091,1283 1.026,1284 1.384,1285 1.263,1286 0.518,1287 1.307,1288 0.937,1289 0.841,1290 1.301,1291 1.171,1292 0.474,1293 1.223,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.932,1302 5.231,1304 6.737,1306 8.338,1308 9.989,1310 3.732,1314 10.249,1315 1.506,1318 5.187,1321 2.198,1326 27.719,1327 59.538,1328 132.557,1329 173.976,1330 203.195,1331 216.705,1332 218.705,1333 31.732,1334 6.899,1335 32.7,1336 32.7,1337 18,1338 12.222,1339 4.17,1340 3.248,1341 36.938,1342 81,1343 92,1344 0.224,1345 171.805,1346 292.24,1347 410.963,1348 8882,1350 16.234,1351 0.706,1352 0.587,1353 16.234,1354 13.49,1355 11.169,1356 0.447,1357 0.307,1358 7.589,1359 10.838,1360 7.302,1361 6.133,1362 11.169,1363 7.682,1364 9.798,1365 0.288,1366 0.171,1367 9.798,1368 5.805,1369 8.195,1370 0.186,1371 0.092,1372 8.195,1373 4.055,1374 6.684,1375 0.119,1376 0.051,1377 6.684,1378 2.859,1379 5.609,1380 0.079,1381 0.028,1382 5.609,1383 1.992,1384 0.351,1385 69.404,1386 0.245,1387 22.658,1388 0.611,1389 118,1390 305.53,1391 124.731,1392 300.138,1393 411.86,1394 282,1395 137,1396 298.336,1397 144.149,1398 311.221,1399 447.63,1400 289,1401 4.411}
{0 CHEMBL1334307,1 1.584,2 10.56,3 2.145,4 4.599,5 92.496,6 8.204,7 0.571,8 3.847,9 3.935,10 3.499,11 3.414,12 5.038,13 3.419,14 4.371,15 4.502,16 3.858,17 3.811,18 5.518,19 3.804,20 4.572,21 4.732,22 3.993,23 3.93,24 5.753,25 3.921,26 4.655,27 4.817,28 4.023,29 3.873,30 5.974,31 3.889,32 4.546,33 4.709,34 3.807,35 3.711,36 5.9,37 3.704,38 4.347,39 4.544,40 3.487,41 3.562,42 5.496,43 3.504,44 4.23,45 4.423,46 3.396,47 3.422,48 5.518,49 3.365,50 4.143,51 4.327,52 3.221,53 3.263,54 5.323,55 3.219,56 0.114,57 0.561,58 6.847,59 3.757,60 9.754,61 4.232,62 0.302,63 0.915,64 14.083,65 6.334,66 26.692,67 7.236,68 0.296,69 1.104,70 18.425,71 7.902,72 34.904,73 9.494,74 0.549,75 1.167,76 21.376,77 7.868,78 62.637,79 8.995,80 0.73,81 1.017,82 19.875,83 6.909,84 80.586,85 7.848,86 0.42,87 0.872,88 16.253,89 5.98,90 46.728,91 7.41,92 0.355,93 0.757,94 14.273,95 5.558,96 52.145,97 7.048,98 0.372,99 0.663,100 13.615,101 4.859,102 44.425,103 5.601,104 16,105 40,106 0.275,107 0.636,108 0.777,109 0.835,110 0.877,111 0.885,112 3.268,113 0.863,114 -3.28,115 -3.27,116 -3.13,120 46.3,122 1,125 1,126 2,143 6,144 5,147 1,153 1,158 1,159 1,167 1,174 10,177 8,180 1,182 2,185 12,189 12,194 1,197 10,200 1,201 13,204 2,206 2,209 9,213 3,214 6,217 1,219 1,222 9,226 1,227 4,232 1,235 7,239 1,240 4,243 1,245 2,247 3,251 1,252 4,257 2,260 1,263 1,264 3,269 1,271 2,274 840,275 17.32,276 17.32,277 17.32,278 17.32,279 17.32,280 15.368,281 10.465,282 10.345,283 17.561,284 13.787,285 13.787,286 13.787,287 13.787,288 13.787,289 10.626,290 10.139,291 4.844,292 14.026,293 3.773,294 1.696,295 0.885,296 0.555,297 0.311,298 0.262,299 3.968,305 1,306 1,307 1,308 579,309 3.464,312 31.225,313 135.298,316 123.487,317 149.947,318 80.13,320 1.702,321 32.151,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55,333 264,334 4.833,335 3.707,336 7.177,337 4.43,338 3.429,339 4.783,340 1.058,341 12.601,342 3.435,343 4.31,344 3.565,345 6.548,346 3.934,347 2.931,348 3.948,349 0.86,350 10.251,351 2.935,352 3.846,353 3.02,354 6.01,355 3.479,356 2.464,357 3.292,359 8.324,360 2.499,361 3.811,362 2.644,363 5.986,364 3.439,365 2.434,366 3.221,368 8.198,369 2.439,370 3.178,371 2.222,372 5.007,373 2.805,374 1.843,375 2.385,377 5.268,378 1.77,379 3.005,380 2.003,381 4.288,382 2.6,383 1.641,384 2.21,386 3.842,387 1.568,388 2.848,389 1.805,390 4.114,391 2.516,392 1.512,393 1.956,395 3.364,396 1.515,397 2.693,398 1.594,399 3.825,400 2.335,401 1.358,402 1.69,404 3.088,405 1.321,406 2.5,407 1.438,408 3.644,409 2,410 1,411 1.5,413 2.549,414 1,415 2.481,416 1.313,417 3.587,418 1.953,419 0.965,420 1.405,422 2.383,423 0.947,424 2.117,425 1,426 3.393,427 1.874,428 0.926,429 1.043,431 1.81,432 0.864,433 1.998,434 0.788,435 2.968,436 1.505,437 0.492,438 0.714,440 1.215,441 0.493,442 1.216,443 0.696,444 2.745,445 1.034,446 0.09,447 0.099,449 0.15,450 0.084,451 1.114,452 0.105,453 2.552,454 0.647,455 -0.369,456 -0.482,458 -0.957,459 -0.37,460 0.965,461 -0.128,462 2.159,463 0.555,464 -0.466,465 -0.641,467 -1.169,468 -0.472,469 11.633,470 0.465,471 0.538,472 0.022,473 33.25,474 1.33,475 17,476 0.68,477 16.25,478 0.65,479 18.022,480 0.721,481 26.167,482 0.638,483 25.378,484 1.015,485 6.808,486 0.272,487 5.412,488 0.216,489 0.1,491 0.387,496 0.643,497 1.06,498 0.669,499 0.982,500 0.522,501 0.86,502 0.929,503 0.932,504 0.803,505 0.848,506 0.648,507 0.805,508 0.867,509 1.054,510 0.721,511 0.948,512 0.843,513 0.827,514 1.245,515 0.995,516 0.883,517 0.916,518 1.351,519 0.831,520 1.268,521 0.975,522 1.086,523 0.899,524 1.494,525 0.938,526 0.935,527 0.984,528 1.084,529 0.968,530 1.011,531 1.028,532 0.746,533 1.119,534 0.981,535 1.145,536 0.646,537 1.122,538 1.384,539 1.012,540 1.246,541 1.053,542 1.461,543 1.106,544 3,545 0.09,546 3.111,547 2.028,548 1.808,549 0.962,550 0.521,551 0.296,552 0.175,553 0.137,554 6773,555 19734,556 2.13,557 39,559 13,562 1,565 2,567 1.681,568 2,569 3.293,570 -0.317,571 1,572 1,574 1,575 64.949,576 1.584,577 3.661,578 4.473,579 4.803,580 5.046,581 5.095,582 2.889,583 4.294,584 4.602,585 3.436,586 1030.66,587 7.973,588 11919.9,589 1,590 1,592 1,593 219.66,594 1.388,595 4.579,596 0.107,597 0.008,598 0.078,599 0.045,600 0.041,601 0.028,602 0.021,603 0.013,604 0.01,605 0.009,606 0.361,607 0.33,608 1,609 1.667,610 118.909,611 0.044,612 0.023,613 0.054,614 0.01,615 -0.007,616 0.028,617 -0.076,618 0.104,619 0.038,620 0.138,621 -0.023,622 0.119,623 -0.041,624 -0.051,625 0.177,626 0.04,627 0.009,628 0.138,629 -0.071,630 0.022,631 0.094,632 0.027,633 -0.05,634 0.083,635 0.025,636 0.026,637 -0.078,638 0.038,639 -0.044,640 -0.031,641 -0.039,642 0.031,643 -0.11,644 -0.012,645 -0.065,646 -0.056,647 0.142,648 -0.143,649 -0.002,650 -0.172,651 0.283,652 -0.131,653 -0.186,654 -0.053,655 -0.218,656 -0.097,657 -0.19,658 -0.153,659 1.909,660 5.734,661 0.64,662 23.712,663 1.017,664 1.116,665 2.05,666 4.203,667 0.687,668 3.367,669 3.714,670 4.094,671 4.454,672 4.762,673 4.977,674 5.204,675 5.38,676 5.505,677 5.549,678 5.81,679 0.673,680 336.37,681 3.367,682 4.92,683 5.814,684 6.73,685 7.653,686 8.586,687 9.522,688 10.464,689 11.407,690 12.353,691 4.9,698 1,701 1,708 2,709 6,710 1,712 1,714 5,716 16,721 1,723 1,738 41,739 18,740 2,741 28,743 44,744 19,745 13,746 6,747 6,748 2,752 4,753 12,766 1,768 15,769 4,772 2,778 2,782 2,785 1,786 1,789 16,790 6,791 1,792 6,796 1,797 2,803 0.25,804 4,822 1,823 3,826 2,827 2,828 1,854 1,855 1,859 1,862 25,869 3,871 1,872 1,886 9.8,889 2,890 1,891 1,893 12.5,894 7.867,895 5.583,896 2.486,898 3.499,899 1.444,900 1.009,901 4.019,902 11.385,903 3.664,904 4.301,905 5.026,906 5.732,907 6.358,908 6.858,909 7.408,910 7.878,911 8.282,912 8.65,913 1,914 45,915 9.281,917 4.091,918 7.9,919 17.405,921 14.5,924 2.4,925 60,929 176.567,930 109.72,931 37.607,933 71.024,936 109.72,937 247.59,938 37.607,939 10.883,940 27.243,941 56.857,942 90.724,943 27.194,944 5.449,945 176.567,947 176.567,948 147.327,949 71.024,952 153.024,953 83.566,954 11,956 29.388,957 98.343,958 19.597,960 176.567,961 108.631,962 109.72,965 176.567,966 41.979,967 67.741,968 18.011,969 90.62,970 176.567,971 108.631,972 109.72,973 0.574,974 0.354,975 0.204,976 0.114,977 21,978 9,979 0.114,980 5,981 4,982 1.438,983 3.645,984 221.165,985 0.5,986 15,987 116.096,993 15.854,994 6.338,995 2.518,996 1.021,997 108.631,998 10.556,999 4.076,1001 5.503,1003 2.749,1005 18.011,1006 394.917,1007 38,1013 25.191,1017 -0.322,1020 41.698,1021 45.741,1022 0.296,1023 0.683,1024 0.835,1025 0.896,1026 0.942,1027 0.951,1028 4.905,1029 1.358,1030 5.808,1031 3.364,1032 4.394,1033 4.987,1034 1.552,1035 6.711,1036 4.38,1037 6.129,1038 1,1039 7.418,1040 3.088,1041 4.007,1042 4.89,1044 7.803,1045 4.027,1046 7.463,1047 0.965,1048 9.138,1049 2.549,1050 6.052,1051 7.294,1052 1.527,1053 11.008,1054 6.043,1055 8.845,1056 0.926,1057 10.926,1058 2.383,1059 6.567,1060 8.115,1062 12.952,1063 6.587,1064 10.267,1065 0.492,1066 12.755,1067 1.81,1068 8.058,1069 9.97,1070 1.53,1071 15.683,1072 8.061,1073 11.719,1074 0.09,1075 14.613,1076 1.215,1077 8.972,1078 11.198,1080 17.96,1081 8.993,1082 13.194,1083 -0.369,1084 16.489,1085 0.15,1086 10.268,1087 12.854,1088 1.557,1089 20.544,1090 10.28,1091 3.429,1092 -0.466,1093 18.38,1094 -0.957,1095 11.356,1096 14.264,1098 22.96,1099 11.376,1100 2.931,1101 12.601,1102 20.282,1103 -1.169,1104 12.588,1105 15.85,1106 1.603,1107 25.499,1108 12.606,1109 2.464,1110 10.251,1111 22.192,1112 4.783,1113 13.75,1114 17.341,1116 27.977,1117 13.771,1118 2.434,1119 8.324,1120 24.11,1121 3.948,1122 14.966,1123 18.904,1124 1.663,1125 30.504,1126 14.987,1127 1.843,1128 8.198,1129 26.033,1130 3.292,1131 16.16,1132 20.432,1134 33.009,1135 16.183,1136 1.641,1137 5.268,1138 27.962,1139 3.221,1140 17.375,1141 21.989,1142 1.734,1143 35.534,1144 17.399,1145 1.512,1146 3.842,1147 29.895,1148 2.385,1149 18.585,1150 23.534,1152 38.053,1153 18.611,1154 6560,1155 11310,1156 18.898,1157 28.159,1158 42.672,1159 44.791,1160 44.525,1161 42.088,1162 42.17,1163 56.492,1164 3.837,1165 126.087,1166 41.741,1167 5.738,1168 5.707,1169 7.113,1170 5.445,1171 5.429,1172 7.783,1173 2.117,1174 20.601,1175 5.435,1176 10.983,1177 1.524,1178 1.6,1179 1.59,1180 1.503,1181 1.506,1182 2.018,1183 0.137,1184 4.503,1185 1.491,1186 4.177,1187 4.183,1188 4.162,1189 4.096,1190 7.431,1191 4.109,1192 3.815,1193 3.842,1194 3.763,1195 3.747,1196 7.426,1197 3.746,1198 3.676,1199 3.734,1200 3.545,1201 3.482,1202 5.244,1203 3.484,1204 3.408,1205 3.441,1206 3.335,1207 3.195,1208 4.66,1209 3.218,1210 3.348,1211 3.358,1212 3.304,1213 3.139,1214 4.633,1215 3.177,1216 3.198,1217 3.25,1218 3.045,1219 2.957,1220 4.412,1221 2.967,1222 3.006,1223 3.063,1224 2.857,1225 2.789,1226 4.09,1227 2.795,1228 2.817,1229 2.885,1230 2.686,1231 2.676,1232 3.726,1233 2.672,1234 0.173,1235 0.132,1236 0.256,1237 0.158,1238 0.122,1239 4.833,1240 0.171,1241 3.707,1242 0.038,1243 7.177,1244 0.45,1245 4.43,1246 0.123,1247 3.429,1248 4.783,1249 1.058,1250 12.601,1251 3.435,1252 2.049,1253 2.041,1254 2.1,1255 2.106,1256 1.283,1257 2.103,1258 1.81,1259 1.788,1260 1.923,1261 1.931,1262 1.185,1263 1.927,1264 1.63,1265 1.569,1266 1.867,1267 1.835,1268 1.004,1269 1.846,1270 1.318,1271 1.297,1272 1.586,1273 1.59,1274 0.619,1275 1.581,1276 1.189,1277 1.122,1278 1.396,1279 1.48,1280 0.491,1281 1.443,1282 1.064,1283 1.049,1284 1.273,1285 1.329,1286 0.41,1287 1.296,1288 0.959,1289 0.897,1290 1.2,1291 1.208,1292 0.285,1293 1.193,1294 0.893,1295 0.846,1296 1.085,1297 1.111,1298 0.154,1299 1.109,1300 4.043,1302 5.38,1303 2.398,1304 6.942,1305 4.727,1306 8.624,1307 6.899,1308 10.375,1310 1.619,1315 1.801,1317 2.835,1318 4.97,1326 27.59,1327 64.949,1328 150.111,1329 183.395,1330 196.905,1331 206.905,1332 208.905,1333 47.365,1334 7.885,1335 81.43,1336 81.43,1337 23,1338 12.846,1339 4.248,1340 3.459,1341 35.966,1342 86,1343 120,1344 0.215,1345 166.678,1346 288.52,1347 398.455,1348 27158,1350 17.389,1351 0.696,1352 0.547,1353 17.389,1354 13.666,1355 12.22,1356 0.436,1357 0.288,1358 7.922,1359 11.667,1360 7.764,1361 6.407,1362 12.22,1363 8.057,1364 10.685,1365 0.267,1366 0.147,1367 10.685,1368 5.873,1369 9.719,1370 0.165,1371 0.074,1372 9.719,1373 4.35,1374 8.63,1375 0.102,1376 0.037,1377 8.63,1378 3.147,1379 7.248,1380 0.062,1381 0.019,1382 7.248,1383 2.196,1384 0.329,1385 77.496,1386 0.23,1387 23.964,1388 0.61,1389 136,1390 448.92,1391 149.517,1392 423.32,1393 576.63,1394 396,1395 167,1396 423.713,1397 181.627,1398 425.838,1399 631.19,1400 400,1401 5.458}
{0 CHEMBL1334484,1 1.708,2 5.9,3 2.325,4 5.407,5 71.494,6 9.216,7 0.87,8 3.571,9 3.645,10 3.318,11 3.091,12 4.855,13 3.149,14 4.017,15 4.105,16 3.694,17 3.452,18 5.298,19 3.509,20 4.082,21 4.204,22 3.619,23 3.417,24 5.272,25 3.456,26 4.088,27 4.177,28 3.755,29 3.441,30 5.418,31 3.513,32 4.185,33 4.298,34 3.712,35 3.492,36 5.48,37 3.527,38 4.148,39 4.286,40 3.544,41 3.351,42 5.457,43 3.381,44 4.026,45 4.248,46 2.848,47 3.149,48 5.102,49 3.045,50 3.551,51 3.889,52 1.15,53 2.425,54 4.205,55 2.067,56 0.134,57 0.435,58 3.561,59 2.288,60 7.864,61 1.96,62 0.307,63 0.663,64 6.671,65 3.752,66 16.66,67 3.272,68 0.405,69 0.684,70 8.922,71 4.121,72 21.233,73 3.881,74 0.427,75 0.692,76 7.685,77 3.933,78 24.22,79 3.509,80 0.553,81 0.748,82 9.571,83 4.424,84 28.444,85 4.12,86 0.45,87 0.746,88 9.346,89 4.036,90 24.991,91 3.538,92 0.437,93 0.654,94 11.199,95 3.976,96 29.299,97 4.067,98 0.203,99 0.377,100 9.872,101 3.346,102 17.299,103 5.11,104 2,105 33,106 0.317,107 0.625,108 0.773,109 0.824,110 0.863,111 0.888,112 3.061,113 0.776,114 -3.5,115 -3.48,116 -3.32,120 48.3,143 4,144 2,148 1,149 1,152 2,153 3,162 1,164 1,165 1,166 1,174 3,176 2,177 9,179 1,180 1,182 1,185 1,187 1,188 1,189 5,194 1,197 3,199 1,200 2,201 3,203 2,204 2,209 3,213 4,214 6,216 1,217 1,219 1,222 2,224 1,226 1,227 6,229 1,230 1,232 2,235 2,237 2,240 1,245 1,247 1,249 1,274 470,275 13.983,276 13.983,277 13.983,278 13.983,279 13.983,280 11.664,281 3.162,282 8.297,283 14.137,284 11.393,285 11.393,286 11.393,287 11.393,288 11.393,289 7.977,290 2.5,291 3.938,292 11.631,293 3.15,294 1.488,295 0.69,296 0.414,297 0.207,298 0.069,299 3.757,306 1,307 1,308 263,309 1.871,312 116.311,313 46.979,316 69.115,320 0.83,321 20.378,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44.5,333 118,334 4.776,335 3.37,336 7.112,337 4.353,338 3.362,339 4.734,341 12.388,342 3.335,343 4.08,344 2.704,345 6.168,346 3.662,347 2.68,348 3.695,350 8.928,351 2.635,352 3.921,353 2.513,354 5.752,355 3.503,356 2.51,357 3.502,359 7.744,360 2.489,361 3.44,362 2.061,363 5.045,364 2.956,365 2,366 2.846,368 5.73,369 1.912,370 3.26,371 1.779,372 4.693,373 2.75,374 1.776,375 2.621,377 4.739,378 1.726,379 2.871,380 1.42,381 4.239,382 2.385,383 1.414,384 2.038,386 3.576,387 1.371,388 2.636,389 1.206,390 3.661,391 2.157,392 1.197,393 1.691,395 2.69,396 1.145,397 2.244,398 0.75,399 3.275,400 1.745,401 0.749,402 1.118,404 1.874,405 0.746,406 2.118,407 0.657,408 3.23,409 1.618,410 0.618,411 0.927,413 1.599,414 0.618,415 2.118,416 0.618,417 3,418 1.618,419 0.618,420 0.927,422 1.372,423 0.618,424 2.081,425 0.618,426 3,427 1.593,428 0.618,429 0.892,431 1.372,432 0.602,433 1.067,434 -0.193,435 2.511,436 0.61,437 -0.309,438 -0.404,440 -0.713,441 -0.283,442 0.698,443 -0.665,444 2.38,445 0.307,446 -0.676,447 -0.876,449 -1.992,450 -0.663,451 0.379,452 -1.005,453 2.271,454 -0.065,455 -1.022,456 -1.416,458 -2.769,459 -0.972,460 0.032,461 -1.29,462 2,463 -0.402,464 -1.374,465 -1.829,467 -3.229,468 -1.293,469 9.2,470 0.46,471 0.415,472 0.021,473 30.75,474 1.538,475 16.5,476 0.825,477 14.25,478 0.713,479 11.084,480 0.554,481 20.2,482 0.697,483 20.01,484 1.001,485 6.325,486 0.316,487 3.519,488 0.176,489 0.043,491 0.38,496 0.977,497 1.148,498 0.617,499 0.977,500 1.065,501 0.745,502 1.056,503 0.87,504 0.728,505 0.929,506 0.846,507 0.782,508 1.101,509 1.087,510 0.864,511 0.953,512 1.019,513 0.865,514 1.038,515 1.056,516 0.712,517 1.005,518 0.912,519 0.828,520 1.013,521 0.959,522 0.967,523 0.951,524 0.816,525 0.959,526 1.3,527 1.322,528 1.254,529 1.199,530 1.14,531 1.21,532 1.217,533 0.878,534 1.696,535 0.989,536 1.589,537 1.345,538 0.252,539 0.906,540 1.305,541 1.297,542 0.804,543 1.545,544 2.5,546 2,547 1.437,548 1.423,549 0.465,550 0.294,551 0.056,554 3506,555 10984,556 2.226,557 31,559 4,560 2,561 1,562 2,567 1.629,568 2.143,569 2.618,570 0.41,572 1,573 1,574 1,575 49.539,576 1.708,577 3.37,578 4.168,579 4.444,580 4.651,581 4.789,582 1.883,583 3.684,584 4.295,585 2.749,586 522.354,587 7.396,588 5288.26,589 1,590 1,592 1,593 140.881,594 1.188,595 4.278,596 0.109,598 0.061,599 0.048,600 0.042,601 0.015,602 0.011,603 0.005,606 0.29,607 0.67,608 1,609 0.432,610 85.014,611 -0.155,612 -0.111,613 0.035,614 -0.072,615 -0.247,616 0.025,617 -0.062,618 0.139,619 0.02,620 -0.006,621 -0.017,622 0.021,623 -0.073,624 -0.126,625 0.025,626 0.002,627 -0.088,628 0.037,629 0.105,630 -0.063,631 0.098,632 -0.087,633 0.126,634 -0.025,635 0.116,636 0.018,637 -0.085,638 -0.011,639 0.157,640 -0.096,641 -0.204,642 -0.314,643 -0.33,644 -0.293,645 -0.065,646 -0.344,647 -0.349,648 0.096,649 -0.581,650 -0.01,651 -0.545,652 -0.265,653 0.224,654 -0.102,655 0.168,656 -0.16,657 0.081,658 -0.047,659 1.331,660 2.263,661 0.95,662 11.8,663 1.032,664 1.116,665 2.269,666 5.148,667 0.713,668 3.178,669 3.526,670 3.892,671 4.263,672 4.443,673 4.635,674 4.754,675 4.836,676 4.727,677 4.543,678 4.163,679 0.717,680 267.26,681 3.178,682 4.727,683 5.617,684 6.529,685 7.444,686 8.368,687 9.292,688 10.222,689 11.149,690 12.08,691 10.3,695 1,701 2,708 2,709 7,710 2,712 3,714 5,716 20,728 1,738 29,739 20,741 23,743 32,744 14,745 14,752 4,753 5,768 14,786 1,788 3,789 9,790 6,791 2,792 6,797 3,803 0.75,804 3,817 1,822 3,823 1,826 1,855 3,862 20,863 1,886 10.3,891 3,893 9.333,894 5.317,895 4.333,896 1.581,898 3.56,899 1.512,900 1.069,901 2.484,902 10.513,903 3.526,904 4.216,905 4.932,906 5.649,907 6.128,908 6.668,909 7.157,910 7.619,911 7.849,912 8.04,913 0.75,914 30,915 7.309,917 3.193,918 7.808,919 13.63,921 11.206,924 2.308,925 46.167,929 82.398,930 98.843,931 66.468,933 28.522,936 98.843,937 110.92,938 66.468,941 94.281,942 49.75,943 42.899,944 42.217,945 47.084,947 82.398,948 165.311,949 28.522,952 82.398,953 28.522,956 13.026,957 118.714,958 33.571,960 82.398,961 94.99,962 98.843,965 82.398,966 28.84,967 70.003,969 94.99,970 82.398,971 94.99,972 98.843,973 0.58,974 0.356,975 0.217,976 0.111,977 19,978 7,979 0.063,980 2,981 1,982 1.105,983 3.227,984 166.993,985 0.105,986 19,987 86.439,993 11.462,994 4.334,995 1.718,996 1.018,997 94.99,998 11.711,999 8.109,1001 16.634,1003 2.749,1005 32.897,1006 276.231,1007 33,1020 29.938,1021 32.369,1022 0.352,1023 0.694,1024 0.858,1025 0.915,1026 0.957,1027 0.986,1028 4.745,1029 0.749,1030 5.602,1031 2.69,1032 4.205,1033 4.902,1035 6.482,1036 4.169,1037 5.98,1038 0.618,1039 7.191,1040 1.874,1041 3.761,1042 4.691,1044 7.522,1045 3.72,1046 7.307,1047 0.618,1048 8.889,1049 1.599,1050 5.838,1051 7.223,1053 10.723,1054 5.781,1055 8.682,1056 0.618,1057 10.657,1058 1.372,1059 6.33,1060 7.982,1062 12.675,1063 6.275,1064 10.096,1065 -0.309,1066 12.47,1067 1.372,1068 7.816,1069 9.871,1071 15.391,1072 7.746,1073 11.539,1074 -0.676,1075 14.315,1076 -0.713,1077 8.715,1078 11.069,1080 17.69,1081 8.647,1082 13.004,1083 -1.022,1084 16.183,1085 -1.992,1086 10,1087 12.728,1089 20.262,1090 9.92,1091 3.362,1092 -1.374,1093 18.068,1094 -2.769,1095 11.074,1096 14.126,1098 22.696,1099 10.993,1100 2.68,1101 12.388,1102 19.966,1103 -3.229,1104 12.296,1105 15.705,1107 25.226,1108 12.205,1109 2.51,1110 8.928,1111 21.874,1112 4.734,1113 13.445,1114 17.189,1116 27.71,1117 13.349,1118 2,1119 7.744,1120 23.792,1121 3.695,1122 14.65,1123 18.745,1125 30.228,1126 14.546,1127 1.776,1128 5.73,1129 25.716,1130 3.502,1131 15.831,1132 20.266,1134 32.732,1135 15.721,1136 1.414,1137 4.739,1138 27.646,1139 2.846,1140 17.034,1141 21.816,1143 35.247,1144 16.916,1145 1.197,1146 3.576,1147 29.581,1148 2.621,1149 18.23,1150 23.355,1152 37.758,1153 18.106,1154 3309,1155 5983,1156 16.008,1157 20.665,1158 35.522,1159 35.009,1160 35.218,1161 35.158,1162 35.085,1163 49.982,1165 104.026,1166 34.392,1167 5.5,1168 5.37,1169 6.708,1170 5.425,1171 5.362,1172 7.734,1174 19.794,1175 5.335,1176 5.11,1177 1.544,1178 1.522,1179 1.531,1180 1.529,1181 1.525,1182 2.173,1184 4.523,1185 1.495,1186 4.141,1187 4.145,1188 4.128,1189 4.001,1190 5.327,1191 4.03,1192 3.825,1193 3.832,1194 3.772,1195 3.666,1196 5.088,1197 3.688,1198 3.78,1199 3.802,1200 3.733,1201 3.603,1202 5.045,1203 3.63,1204 3.242,1205 3.286,1206 3.187,1207 3.018,1208 4.871,1209 3.05,1210 2.993,1211 3.101,1212 2.886,1213 2.68,1214 4.444,1215 2.725,1216 2.512,1217 2.575,1218 2.391,1219 2.36,1220 3.688,1221 2.357,1222 2.481,1223 2.549,1224 2.353,1225 2.327,1226 3.621,1227 2.324,1228 2.404,1229 2.457,1230 2.236,1231 2.092,1232 3.62,1233 2.114,1234 0.208,1235 0.147,1236 0.309,1237 0.189,1238 0.146,1239 4.776,1240 0.206,1241 3.37,1243 7.112,1244 0.539,1245 4.353,1246 0.145,1247 3.362,1248 4.734,1250 12.388,1251 3.335,1252 1.824,1253 1.801,1254 1.86,1255 1.982,1256 1.012,1257 1.945,1258 1.598,1259 1.589,1260 1.692,1261 1.78,1262 0.727,1263 1.735,1264 1.458,1265 1.418,1266 1.639,1267 1.587,1268 0.665,1269 1.603,1270 1.381,1271 1.359,1272 1.517,1273 1.586,1274 0.473,1275 1.58,1276 1.176,1277 1.179,1278 1.299,1279 1.476,1280 0.232,1281 1.416,1282 0.898,1283 0.833,1284 1.179,1285 1.302,1286 0.004,1287 1.27,1288 0.741,1289 0.7,1290 0.923,1291 1.037,1293 0.984,1294 0.624,1295 0.557,1296 0.844,1297 0.906,1299 0.903,1300 3.85,1302 5.187,1303 3.434,1304 6.718,1305 5.687,1306 8.349,1307 7.727,1308 10.041,1313 5.946,1326 20.789,1327 49.539,1328 97.72,1329 120.881,1330 128.881,1331 134.881,1332 138.881,1333 22.306,1334 6.953,1335 91.22,1336 91.22,1337 21,1338 12.582,1339 4.392,1340 3.459,1341 25.791,1342 48,1343 43,1344 0.268,1345 124.442,1346 195.97,1347 295.399,1348 8088,1350 13.527,1351 0.676,1352 0.512,1353 13.527,1354 10.238,1355 9.843,1356 0.428,1357 0.259,1358 5.821,1359 9.297,1360 5.764,1361 4.746,1362 9.843,1363 5.951,1364 8.812,1365 0.267,1366 0.127,1367 8.812,1368 4.2,1369 7.899,1370 0.165,1371 0.063,1372 7.899,1373 3.03,1374 7.211,1375 0.103,1376 0.031,1377 7.211,1378 2.193,1379 5.247,1380 0.062,1381 0.015,1382 5.247,1383 1.282,1384 0.388,1385 62.89,1386 0.25,1387 19.108,1388 0.847,1389 112,1390 385.809,1391 127.983,1392 362.625,1393 508.99,1394 342,1395 137,1396 395.775,1397 153.899,1398 392.317,1399 582.55,1400 370,1401 4.247}
{0 CHEMBL1334794,1 1.576,2 10.571,3 4.536,4 20.574,5 116.356,6 8.032,7 0.5,8 4.033,9 4.138,10 3.764,11 3.718,12 5.015,13 3.633,14 4.587,15 4.759,16 4.157,17 4.112,18 5.516,19 3.995,20 4.767,21 4.95,22 4.257,23 4.224,24 5.727,25 4.099,26 4.844,27 5.033,28 4.26,29 4.254,30 5.81,31 4.08,32 4.844,33 5.08,34 4.088,35 4.175,36 5.753,37 3.973,38 4.648,39 4.828,40 3.889,41 4.05,42 5.607,43 3.873,44 4.602,45 4.796,46 3.91,47 3.929,48 5.653,49 3.814,50 4.708,51 4.946,52 3.755,53 3.948,54 5.604,55 3.791,56 0.023,57 0.732,58 10.675,59 5.159,60 5.414,61 6.485,62 0.215,63 1.304,64 24.606,65 9.409,66 16.068,67 11.667,68 0.22,69 1.531,70 30.951,71 11.479,72 22.514,73 13.648,74 0.279,75 1.66,76 36.87,77 12.856,78 35.859,79 14.61,80 0.365,81 1.634,82 41.898,83 14.42,84 42.201,85 16.222,86 0.199,87 1.36,88 36.923,89 12.573,90 24.46,91 13.219,92 0.265,93 1.223,94 24.027,95 9.108,96 35.338,97 11.34,98 0.242,99 1.326,100 28.502,101 10.693,102 34.013,103 13.3,104 10,105 47,106 0.263,107 0.594,108 0.797,109 0.836,110 0.849,111 0.856,112 3.375,113 1.092,114 -4.92,115 -4.83,116 -4.53,120 43.1,121 2,122 3,123 1,126 3,143 4,144 4,148 1,150 1,153 1,159 1,162 1,174 12,176 2,177 8,185 14,189 10,197 9,201 9,209 6,213 2,214 6,222 10,227 4,235 6,239 2,240 9,247 8,252 8,260 5,264 4,271 10,274 1170,275 19.102,276 19.102,277 19.102,278 19.102,279 19.102,280 17.017,281 20.058,282 10.945,283 19.659,284 15.782,285 15.782,286 15.782,287 15.782,288 15.782,289 12.503,290 18.708,291 5.198,292 16.711,293 4.096,294 2.107,295 0.892,296 0.657,297 0.579,298 0.539,299 4.076,306 1,307 1,308 671,309 3.162,310 41.989,312 60.225,313 219.024,316 111.483,317 123.547,320 1.561,321 20.647,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58.5,333 296,334 4.708,335 4.49,336 6.89,337 4.214,338 3.277,339 4.68,340 3.36,341 11.489,342 3.073,343 4.25,344 3.724,345 6.25,346 3.952,347 2.975,348 3.82,349 1.78,350 9.417,351 2.912,352 4.062,353 3.26,354 6.198,355 3.849,356 2.872,357 3.455,358 0.726,359 9.226,360 2.807,361 3.869,362 3.093,363 5.899,364 3.571,365 2.596,366 3.082,367 0.078,368 8.15,369 2.519,370 3.611,371 3.075,372 5.59,373 3.221,374 2.317,375 2.917,377 7.109,378 2.092,379 3.358,380 2.588,381 5.183,382 2.85,383 1.97,384 2.658,386 6.056,387 1.697,388 2.948,389 2.165,390 4.654,391 2.614,392 1.618,393 2.118,395 4.702,396 1.612,397 2.919,398 2.109,399 4.452,400 2.551,401 1.599,402 2.049,404 4.44,405 1.527,406 2.91,407 1.897,408 4.294,409 2.531,410 1.564,411 2.01,413 3.932,414 1.491,415 2.619,416 1.716,417 4.121,418 2.291,419 1.345,420 1.628,422 3.33,423 1.262,424 2.485,425 1.565,426 3.606,427 2.078,428 1.167,429 1.446,431 2.912,432 1.031,433 1.879,434 1.451,435 3.195,436 1.652,437 0.677,438 0.792,440 1.578,441 0.656,442 1.728,443 0.782,444 3.094,445 1.303,446 0.417,447 0.505,449 0.991,450 0.356,451 1.069,452 0.623,453 2.865,454 0.806,455 -0.159,456 -0.184,458 -0.412,459 -0.152,460 1.055,461 0.176,462 2.679,463 0.608,464 -0.28,465 -0.349,467 -0.739,468 -0.244,469 14.2,470 0.507,471 0.747,472 0.027,473 34,474 1.214,475 16,476 0.571,477 18,478 0.643,479 28.854,480 1.031,481 29,482 0.569,483 20.78,484 0.742,485 5.785,486 0.207,487 7.812,488 0.279,489 0.094,491 0.38,496 0.651,497 1.129,498 0.718,499 0.865,500 0.535,501 0.883,502 0.669,503 1.027,504 0.877,505 0.932,506 0.546,507 0.868,508 1.122,509 1.135,510 0.97,511 1.008,512 1.104,513 0.934,514 1.434,515 1.173,516 1.118,517 1.098,518 1.492,519 1.135,520 1.169,521 0.871,522 1.315,523 1.086,524 1.109,525 0.922,526 1.376,527 1.306,528 1.847,529 1.641,530 1.305,531 1.254,532 1.251,533 1.124,534 0.83,535 1.019,536 1.614,537 1.07,538 1.444,539 0.978,540 0.866,541 0.873,542 1.643,543 0.98,544 5.5,545 0.177,546 3.389,547 2.299,548 1.63,549 1.001,550 0.526,551 0.493,552 0.288,553 0.175,554 10674,555 24232,556 2.177,557 45.1,558 7,559 10,563 4,564 2,567 1.711,568 2.049,569 3.361,570 -0.778,575 80.389,576 1.576,577 3.565,578 4.78,579 5.015,580 5.094,581 5.133,582 2.708,583 4.522,584 4.783,585 3.546,586 1340.5,587 8.317,588 17674.3,590 1,593 289.294,594 1.375,595 4.745,596 0.172,597 0.007,598 0.077,599 0.049,600 0.041,601 0.028,602 0.016,603 0.015,604 0.01,605 0.006,606 0.421,607 0.17,608 0.88,609 0.517,610 140.164,611 0.021,612 -0.087,613 0.084,614 0.04,615 0.006,616 0.037,617 0.2,618 0.033,619 0.109,620 0.056,621 0.08,622 0.082,623 -0.013,624 -0.086,625 0.05,626 -0.01,627 -0.056,628 0.013,629 -0.17,630 -0.119,631 -0.036,632 -0.07,633 -0.176,634 -0.188,635 0.008,636 0.172,637 -0.03,638 0.073,639 0.045,640 0.089,641 -0.168,642 -0.232,643 -0.417,644 -0.373,645 -0.016,646 -0.241,647 0.165,648 -0.151,650 -0.15,651 0.089,652 -0.148,653 -0.137,654 -0.039,655 -0.023,656 0.005,657 -0.12,658 -0.028,659 1.469,660 5.903,661 0.786,662 22.857,663 0.993,664 1.112,665 3.695,666 13.65,667 0.713,668 3.497,669 3.871,670 4.159,671 4.443,672 4.682,673 4.796,674 4.949,675 5.024,676 4.984,677 4.913,678 6.467,679 0.655,680 409.62,681 3.497,682 5.069,683 5.953,684 6.855,685 7.753,686 8.659,687 9.562,688 10.47,689 11.375,690 12.284,691 5.9,698 1,701 2,708 2,709 4,710 2,713 1,714 6,716 16,738 51,739 17,740 1,741 32,743 55,744 22,745 12,746 2,747 4,752 5,753 7,759 2,763 3,764 1,766 3,768 13,769 9,770 1,772 1,778 1,782 1,786 1,789 23,790 4,792 6,793 2,797 3,803 0.6,804 1,817 1,820 1,822 1,823 3,826 1,827 1,839 1,855 3,856 1,857 2,859 2,862 28,869 6,873 1,874 1,875 1,880 1,886 2,889 1,893 13.667,894 10.017,895 5.944,896 3.304,898 3.105,899 1.396,900 1.027,901 4.823,902 10.936,903 3.738,904 4.379,905 4.978,906 5.584,907 6.109,908 6.426,909 6.816,910 7.12,911 7.12,912 7.05,913 0.857,914 47,915 10.443,917 4.575,918 7.5,919 20.696,921 18.11,924 2,925 56,927 1,928 1,929 270.735,930 153.727,931 36.695,933 25.145,935 63.497,936 90.23,937 295.88,938 36.695,939 17.65,940 15.839,941 37.905,942 63.738,943 14.458,944 2.48,945 334.233,947 270.735,948 126.925,949 25.145,950 63.497,952 249.521,953 48.687,956 33.806,957 57.22,958 33.571,959 63.497,960 270.735,961 61.84,962 153.727,965 270.735,966 98.171,967 58.68,969 58.716,970 270.735,971 61.84,972 153.727,973 0.597,974 0.346,975 0.185,976 0.101,977 26,978 11,979 0.073,980 4,981 2,982 1.182,983 4.057,984 255.694,985 0.182,986 22,987 132.606,989 2,993 18.42,994 7.331,995 3.692,996 2.224,997 61.84,998 8.44,999 9.698,1002 1.747,1003 7.143,1006 486.302,1007 41,1013 12.903,1017 0.198,1020 50.622,1021 56.696,1022 0.278,1023 0.629,1024 0.843,1025 0.884,1026 0.898,1027 0.905,1028 5.011,1029 1.599,1030 5.958,1031 4.702,1032 4.554,1033 5.066,1034 3.389,1035 6.815,1036 4.447,1037 6.24,1038 1.564,1039 7.55,1040 4.44,1041 4.29,1042 5.027,1043 1.668,1044 7.818,1045 4.166,1046 7.573,1047 1.345,1048 9.24,1049 3.932,1050 6.213,1051 7.317,1052 5.578,1053 10.91,1054 6.019,1055 8.938,1056 1.167,1057 10.986,1058 3.33,1059 6.723,1060 8.094,1061 3.588,1062 12.71,1063 6.509,1064 10.335,1065 0.677,1066 12.766,1067 2.912,1068 8.161,1069 9.913,1070 7.948,1071 15.343,1072 7.889,1073 11.755,1074 0.417,1075 14.571,1076 1.578,1077 9.019,1078 11.084,1079 5.952,1080 17.484,1081 8.714,1082 13.194,1083 -0.159,1084 16.393,1085 0.991,1086 10.272,1087 12.721,1088 10.352,1089 19.962,1090 9.914,1091 3.277,1092 -0.28,1093 18.228,1094 -0.412,1095 11.289,1096 14.084,1097 8.511,1098 22.257,1099 10.886,1100 2.975,1101 11.489,1102 20.074,1103 -0.739,1104 12.472,1105 15.651,1106 12.764,1107 24.687,1108 12.016,1109 2.872,1110 9.417,1111 21.93,1112 4.68,1113 13.562,1114 17.107,1115 11.099,1116 27.052,1117 13.053,1118 2.596,1119 9.226,1120 23.793,1121 3.82,1122 14.722,1123 18.65,1124 15.178,1125 29.472,1126 14.157,1127 2.317,1128 8.15,1129 25.663,1130 3.455,1131 15.847,1132 20.15,1133 13.674,1134 31.871,1135 15.223,1136 1.97,1137 7.109,1138 27.538,1139 3.082,1140 17.001,1141 21.687,1142 17.592,1143 34.293,1144 16.319,1145 1.618,1146 6.056,1147 29.419,1148 2.917,1149 18.145,1150 23.207,1151 16.23,1152 36.71,1153 17.4,1154 9724,1155 14813,1156 21.789,1157 36.381,1158 49.376,1159 53.189,1160 50.477,1161 48.739,1162 48.785,1163 62.321,1164 11.888,1165 146.664,1166 46.071,1167 5.653,1168 6.49,1169 6.577,1170 5.373,1171 5.277,1172 7.68,1173 6.686,1174 18.636,1175 5.073,1176 11.589,1177 1.543,1178 1.662,1179 1.577,1180 1.523,1181 1.525,1182 1.948,1183 0.372,1184 4.583,1185 1.44,1186 4.101,1187 4.122,1188 4.358,1189 4.092,1190 7.427,1191 4.044,1192 3.991,1193 4.025,1194 3.948,1195 3.921,1196 5.005,1197 3.916,1198 3.833,1199 3.872,1200 3.844,1201 3.765,1202 4.74,1203 3.742,1204 3.609,1205 3.646,1206 3.745,1207 3.488,1208 4.399,1209 3.459,1210 3.365,1211 3.423,1212 3.425,1213 3.277,1214 4.11,1215 3.232,1216 3.264,1217 3.326,1218 3.155,1219 3.094,1220 4.083,1221 3.094,1222 3.092,1223 3.194,1224 3.065,1225 2.96,1226 3.94,1227 2.926,1228 3.071,1229 3.147,1230 2.946,1231 2.927,1232 3.728,1233 2.875,1234 0.147,1235 0.14,1236 0.215,1237 0.132,1238 0.102,1239 4.708,1240 0.146,1241 4.49,1242 0.105,1243 6.89,1244 0.359,1245 4.214,1246 0.096,1247 3.277,1248 4.68,1249 3.36,1250 11.489,1251 3.073,1252 1.977,1253 1.946,1254 2.099,1255 2.079,1256 1.344,1257 2.087,1258 1.833,1259 1.813,1260 1.889,1261 1.936,1262 1.098,1263 1.929,1264 1.597,1265 1.575,1266 1.723,1267 1.732,1268 0.933,1269 1.745,1270 1.537,1271 1.492,1272 1.683,1273 1.696,1274 0.888,1275 1.726,1276 1.297,1277 1.25,1278 1.532,1279 1.473,1280 0.825,1281 1.508,1282 1.213,1283 1.162,1284 1.514,1285 1.4,1286 0.815,1287 1.456,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.732,1293 1.429,1294 1.099,1295 1.032,1296 1.383,1297 1.287,1298 0.636,1299 1.334,1300 4.174,1301 1.946,1302 5.533,1303 3.932,1304 7.089,1305 5.9,1306 8.732,1307 7.828,1308 10.42,1310 4.283,1315 5.278,1319 1.584,1320 0.515,1321 1.987,1326 33.421,1327 80.389,1328 181.828,1329 243.784,1330 255.784,1331 259.784,1332 261.784,1333 41.249,1334 7.831,1335 46.09,1336 99.63,1337 26,1338 12.801,1339 4.17,1340 3.322,1341 37.684,1342 110,1343 104,1344 0.166,1345 208.057,1346 352.35,1347 499.419,1348 28671,1350 19.25,1351 0.688,1352 0.637,1353 19.957,1354 17.829,1355 13.597,1356 0.425,1357 0.364,1358 9.934,1359 12.393,1360 9.441,1361 7.761,1362 14.46,1363 11.651,1364 12.671,1365 0.27,1366 0.211,1367 13.924,1368 9.915,1369 10.857,1370 0.172,1371 0.12,1372 12.315,1373 7.544,1374 9.062,1375 0.108,1376 0.069,1377 10.77,1378 5.8,1379 7.406,1380 0.069,1381 0.04,1382 9.055,1383 4.279,1384 0.261,1385 92.177,1386 0.214,1387 26.648,1388 0.456,1389 158,1390 386.392,1391 215.81,1392 421.206,1393 589.06,1394 398,1395 192,1396 411.887,1397 244.077,1398 448.328,1399 667.4,1400 423,1401 4.544}
{0 CHEMBL1335030,1 1.592,2 8.19,3 4.102,4 16.826,5 82.456,6 8.215,7 0.739,8 3.651,9 3.747,10 3.301,11 3.219,12 4.91,13 3.223,14 4.081,15 4.212,16 3.605,17 3.541,18 5.274,19 3.538,20 4.264,21 4.426,22 3.712,23 3.599,24 5.52,25 3.597,26 4.243,27 4.428,28 3.556,29 3.477,30 5.489,31 3.465,32 4.161,33 4.372,34 3.316,35 3.383,36 5.339,37 3.327,38 4.029,39 4.256,40 3.172,41 3.309,42 5.082,43 3.231,44 3.917,45 4.093,46 3.24,47 3.317,48 4.978,49 3.265,50 3.985,51 4.154,52 3.209,53 3.311,54 5.11,55 3.243,56 0.072,57 0.486,58 5.618,59 2.909,60 8.995,61 3.286,62 0.136,63 0.73,64 9.936,65 4.416,66 13.738,67 5.105,68 0.251,69 0.882,70 12.937,71 4.994,72 26.466,73 6.116,74 0.296,75 0.875,76 13.369,77 4.492,78 28.747,79 5.389,80 0.3,81 0.787,82 13.117,83 4.455,84 33.639,85 5.591,86 0.219,87 0.659,88 12.021,89 4.462,90 26.078,91 5.925,92 0.109,93 0.578,94 9.521,95 4.259,96 12.607,97 5.322,98 0.159,99 0.605,100 10.07,101 4.522,102 14.762,103 5.545,104 6,105 31,106 0.289,107 0.586,108 0.727,109 0.866,110 0.898,111 0.898,112 3.103,113 0.836,114 -3.98,115 -3.93,116 -3.73,120 47.1,125 1,143 8,144 1,145 4,146 1,147 1,167 1,174 6,177 6,182 1,185 4,188 1,189 11,192 1,194 2,197 3,200 2,201 8,206 1,209 2,213 1,214 2,217 1,219 1,222 3,227 2,230 1,235 6,240 3,247 7,251 1,252 3,257 1,260 4,264 1,267 1,269 2,271 1,274 530,275 14.56,276 14.56,277 14.56,278 14.56,279 14.56,280 12.371,281 12.144,282 8.689,283 14.896,284 11.281,285 11.281,286 11.281,287 11.281,288 11.281,289 8.02,290 9.318,291 3.992,292 11.738,293 3.496,294 1.861,295 1.081,296 0.316,297 0.14,298 0.14,299 3.788,306 1,307 1,308 369,309 2.449,313 161.862,317 83.421,320 1.152,321 18.324,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 172,334 4.584,335 3.202,336 6.67,337 4.099,338 3.123,339 4.542,340 0.86,341 10.718,342 3.047,343 4.214,344 3.075,345 6.131,346 3.791,347 2.835,348 3.841,350 8.984,351 2.706,352 3.688,353 2.491,354 5.602,355 3.241,356 2.287,357 3.129,359 7.174,360 2.174,361 3.357,362 2.05,363 4.687,364 2.869,365 1.899,366 2.733,368 4.907,369 1.839,370 3.026,371 1.919,372 4.388,373 2.559,374 1.618,375 2.197,377 4.237,378 1.521,379 2.917,380 1.528,381 3.738,382 2.452,383 1.47,384 2.083,386 3.068,387 1.435,388 2.781,389 1.296,390 3.621,391 2.27,392 1.286,393 1.919,395 2.856,396 1.264,397 2.56,398 1.115,399 3.595,400 2.011,401 1.058,402 1.544,404 2.636,405 1.006,406 2.297,407 0.941,408 3.18,409 1.687,410 0.719,411 1.079,413 1.619,414 0.692,415 1.673,416 0.801,417 2.777,418 1.357,419 0.471,420 0.549,422 0.767,423 0.413,424 1.386,425 0.29,426 2.606,427 0.958,428 0.022,429 0.028,431 0.047,432 0.021,433 0.93,434 -0.195,435 2.354,436 0.46,437 -0.48,438 -0.622,440 -1.017,441 -0.446,442 0.814,443 -0.521,444 2.079,445 0.349,446 -0.618,447 -0.898,449 -1.486,450 -0.594,451 0.575,452 -0.708,453 2,454 0.112,455 -0.86,456 -1.167,458 -1.997,459 -0.828,460 0.558,461 -0.807,462 2,463 0.063,464 -0.901,465 -1.278,467 -2.163,468 -0.861,469 9.867,470 0.47,471 0.38,472 0.018,473 32.75,474 1.56,475 19.5,476 0.929,477 13.25,478 0.631,479 11.429,480 0.544,481 21.333,482 0.627,483 21.649,484 1.031,485 6.699,486 0.319,487 3.593,488 0.171,489 0.084,491 0.304,496 0.849,497 1.044,498 0.708,499 0.957,500 0.929,501 0.842,502 1.08,503 1.169,504 0.816,505 0.958,506 0.813,507 0.864,508 0.975,509 1.259,510 0.843,511 1.014,512 0.893,513 0.922,514 1.275,515 1.194,516 1.118,517 1.016,518 1.158,519 1.015,520 1.114,521 0.931,522 1.19,523 0.931,524 1.199,525 1.03,526 0.755,527 0.723,528 0.934,529 0.811,530 0.757,531 0.875,532 0.798,533 0.881,534 0.84,535 0.986,536 0.569,537 0.938,538 0.902,539 1.083,540 1.081,541 1.262,542 0.755,543 1.232,544 3,545 0.025,546 2.667,547 1.25,548 0.929,549 0.507,550 0.264,551 0.215,552 0.18,553 0.114,554 4307,555 12640,556 2.102,557 38.2,559 11,561 1,562 1,567 1.632,568 2,569 3.066,570 -0.291,572 1,575 54.113,576 1.592,577 3.226,578 4.006,579 4.771,580 4.948,581 4.948,582 2.398,583 4.202,584 4.369,585 3.193,586 670.604,587 7.485,588 7170.61,590 1,591 1,592 1,593 172.974,594 1.268,595 4.338,596 0.13,597 0.006,598 0.086,599 0.038,600 0.034,601 0.024,602 0.014,603 0.01,604 0.009,605 0.009,606 0.362,607 0.67,608 1,609 0.741,610 94.442,611 -0.017,612 0.009,613 0.035,614 -0.003,615 -0.125,616 0.014,617 -0.137,618 -0.146,619 0.016,620 -0.004,621 -0.081,622 0.024,623 0.052,624 -0.211,625 0.06,626 -0.093,627 0.089,628 -0.035,629 -0.13,630 -0.101,631 -0.168,632 -0.136,633 -0.089,634 -0.153,635 -0.115,636 0.123,637 -0.212,638 -0.016,639 -0.133,640 -0.106,641 0.019,642 0.248,643 0.059,644 0.175,645 0.021,646 0.144,647 -0.022,648 0.046,649 0.068,650 0.032,651 0.024,652 0.065,653 0.032,654 -0.171,655 -0.161,656 -0.256,657 0.009,658 -0.252,659 1.54,660 3.808,661 0.762,662 13.868,663 1.011,664 1.117,665 2.75,666 7.562,667 0.698,668 3.178,669 3.466,670 3.761,671 3.989,672 4.19,673 4.127,674 4.19,675 4.263,676 4.369,677 4.277,678 5.211,679 0.68,680 279.32,681 3.178,682 4.691,683 5.541,684 6.405,685 7.27,686 8.139,687 9.009,688 9.88,689 10.752,690 11.624,691 8.8,701 1,704 2,708 2,709 9,710 1,714 4,716 17,734 1,735 1,738 34,739 18,740 2,741 23,743 36,744 16,745 15,746 6,747 6,752 3,753 4,768 15,769 1,772 1,781 2,786 1,789 13,790 5,791 1,792 5,797 3,802 1,803 0.667,804 2,816 1,823 3,827 1,855 2,859 1,862 21,868 1,872 1,886 5.9,888 1,891 1,893 10.5,894 6.467,895 4.778,896 1.848,898 4.038,899 1.595,900 0.964,901 3.692,902 10.822,903 3.512,904 4.143,905 4.812,906 5.424,907 6.005,908 6.247,909 6.66,910 7.072,911 7.528,912 7.712,913 1,914 33,915 7.677,917 3.196,918 7.81,919 14.393,921 11.33,924 2.31,925 48.5,929 141.253,930 111.214,931 50.112,933 53.683,936 111.214,937 194.936,938 50.112,939 10.883,941 75.81,942 71.24,943 35.521,944 33.326,945 129.482,947 141.253,948 161.326,949 53.683,952 141.253,953 53.683,956 11.192,957 100.023,958 50.112,960 141.253,961 103.795,962 111.214,965 141.253,966 15.474,967 95.74,969 103.795,970 141.253,971 103.795,972 111.214,973 0.568,974 0.35,975 0.194,976 0.101,977 15,978 6,979 0.083,980 3,981 1,982 1.125,983 3.357,984 159.667,985 0.125,986 16,987 92.239,993 13.376,994 5.796,995 2.654,996 1.255,997 103.795,998 15.926,999 4.154,1003 2.066,1005 42.683,1006 356.262,1007 32.5,1016 8.466,1020 34.378,1021 37.99,1022 0.313,1023 0.634,1024 0.788,1025 0.938,1026 0.973,1027 0.973,1028 4.703,1029 1.058,1030 5.501,1031 2.856,1032 4.143,1033 4.828,1034 0.908,1035 6.301,1036 4.069,1037 5.917,1038 0.719,1039 7.052,1040 2.636,1041 3.611,1042 4.559,1044 7.222,1045 3.49,1046 7.223,1047 0.471,1048 8.71,1049 1.619,1050 5.714,1051 7.114,1052 0.739,1053 10.327,1054 5.576,1055 8.573,1056 0.022,1057 10.435,1058 0.767,1059 6.066,1060 7.751,1062 12.109,1063 5.879,1064 9.959,1065 -0.48,1066 12.202,1067 0.047,1068 7.589,1069 9.71,1070 0.593,1071 14.716,1072 7.393,1073 11.371,1074 -0.618,1075 13.997,1076 -1.017,1077 8.356,1078 10.79,1080 16.83,1081 8.116,1082 12.803,1083 -0.86,1084 15.813,1085 -1.486,1086 9.639,1087 12.489,1088 0.469,1089 19.275,1090 9.386,1091 3.123,1092 -0.901,1093 17.642,1094 -1.997,1095 10.599,1096 13.789,1098 21.525,1099 10.309,1100 2.835,1101 10.718,1102 19.482,1103 -2.163,1104 11.782,1105 15.374,1106 0.366,1107 23.913,1108 11.476,1109 2.287,1110 8.984,1111 21.33,1112 4.542,1113 12.83,1114 16.78,1116 26.223,1117 12.492,1118 1.899,1119 7.174,1120 23.184,1121 3.841,1122 13.973,1123 18.317,1124 0.283,1125 28.593,1126 13.617,1127 1.618,1128 4.907,1129 25.043,1130 3.129,1131 15.061,1132 19.775,1134 30.931,1135 14.677,1136 1.47,1137 4.237,1138 26.907,1139 2.733,1140 16.191,1141 21.292,1142 0.217,1143 33.295,1144 15.786,1145 1.286,1146 3.068,1147 28.774,1148 2.197,1149 17.298,1150 22.775,1152 35.648,1153 16.868,1154 4196,1155 7300,1156 15.603,1157 23.733,1158 33.932,1159 34.179,1160 34.865,1161 33.546,1162 33.575,1163 47.286,1164 1.72,1165 94.026,1166 32.236,1167 5.214,1168 5.202,1169 6.367,1170 5.137,1171 5.123,1172 7.542,1173 1.72,1174 17.866,1175 5.047,1176 8.034,1177 1.475,1178 1.486,1179 1.516,1180 1.459,1181 1.46,1182 2.056,1183 0.075,1184 4.088,1185 1.402,1186 4.073,1187 4.099,1188 4.044,1189 3.993,1190 6.47,1191 4.002,1192 3.895,1193 3.919,1194 3.843,1195 3.813,1196 5.062,1197 3.815,1198 3.462,1199 3.51,1200 3.377,1201 3.352,1202 4.881,1203 3.35,1204 3.249,1205 3.315,1206 3.157,1207 2.98,1208 4.654,1209 3.008,1210 3.197,1211 3.255,1212 3.062,1213 2.951,1214 4.375,1215 2.972,1216 2.895,1217 2.949,1218 2.807,1219 2.743,1220 4.186,1221 2.746,1222 2.767,1223 2.842,1224 2.578,1225 2.616,1226 3.844,1227 2.597,1228 2.672,1229 2.729,1230 2.541,1231 2.573,1232 3.571,1233 2.559,1234 0.199,1235 0.139,1236 0.29,1237 0.178,1238 0.136,1239 4.584,1240 0.197,1241 3.202,1242 0.037,1243 6.67,1244 0.466,1245 4.099,1246 0.132,1247 3.123,1248 4.542,1249 0.86,1250 10.718,1251 3.047,1252 2.024,1253 2.003,1254 2.085,1255 2.121,1256 1.199,1257 2.111,1258 1.869,1259 1.846,1260 1.976,1261 1.976,1262 1.044,1263 1.975,1264 1.45,1265 1.409,1266 1.621,1267 1.596,1268 0.639,1269 1.604,1270 1.197,1271 1.125,1272 1.573,1273 1.513,1274 0.574,1275 1.533,1276 1.071,1277 1.021,1278 1.188,1279 1.349,1280 0.193,1281 1.297,1282 0.864,1283 0.811,1284 1.109,1285 1.067,1286 0.133,1287 1.074,1288 0.776,1289 0.71,1290 0.998,1291 0.981,1292 0.077,1293 1.002,1294 0.688,1295 0.638,1296 0.936,1297 0.872,1298 0.022,1299 0.896,1300 3.85,1302 5.142,1304 6.658,1306 8.277,1308 9.945,1310 1.591,1314 9.808,1318 5.234,1326 23.128,1327 54.113,1328 109.69,1329 136.219,1330 162.219,1331 168.219,1332 168.219,1333 28.22,1334 6.784,1335 67.07,1336 67.07,1337 18,1338 12.166,1339 4.248,1340 3.392,1341 32.161,1342 66,1343 56,1344 0.242,1345 144.097,1346 242.4,1347 343.355,1348 7567,1350 14.656,1351 0.698,1352 0.543,1353 14.656,1354 11.393,1355 10.292,1356 0.447,1357 0.279,1358 6.307,1359 9.873,1360 6.152,1361 5.144,1362 10.292,1363 6.408,1364 8.717,1365 0.281,1366 0.141,1367 8.717,1368 4.375,1369 7.703,1370 0.183,1371 0.073,1372 7.703,1373 3.076,1374 6.374,1375 0.12,1376 0.039,1377 6.374,1378 2.05,1379 5.166,1380 0.079,1381 0.02,1382 5.166,1383 1.321,1384 0.374,1385 64.807,1386 0.253,1387 20.678,1388 0.679,1389 108,1390 344.821,1391 118.144,1392 334.799,1393 461.16,1394 314,1395 127,1396 344.503,1397 138.172,1398 349.787,1399 506.13,1400 328,1401 5.64}
{0 CHEMBL1336098,1 2.136,2 10.15,3 2.344,4 5.494,5 73.261,6 11.205,7 0.524,8 3.495,9 3.561,10 3.431,11 3.068,12 4.868,13 3.069,14 3.935,15 4.012,16 3.84,17 3.38,18 5.489,19 3.379,20 4.069,21 4.179,22 3.752,23 3.338,24 5.528,25 3.316,26 3.954,27 4.087,28 3.513,29 3.151,30 5.441,31 3.14,32 3.794,33 3.953,34 3.388,35 2.978,36 5.237,37 2.982,38 3.757,39 3.904,40 3.24,41 2.918,42 5.189,43 2.926,44 3.657,45 3.785,46 3.314,47 2.89,48 5.429,49 2.874,50 3.498,51 3.596,52 3.304,53 2.842,54 5.168,55 2.788,56 0.235,57 0.425,58 1.346,59 2.296,60 18.073,61 1.848,62 0.468,63 0.632,64 4.5,65 3.747,66 55.938,67 2.991,68 0.641,69 0.631,70 13.298,71 5.162,72 65.496,73 3.679,74 0.593,75 0.533,76 10.471,77 4.301,78 65.437,79 3.721,80 0.45,81 0.49,82 11.118,83 3.887,84 39.783,85 3.742,86 0.484,87 0.443,88 6.181,89 3.295,90 63.663,91 2.814,92 0.538,93 0.391,94 9.272,95 3.091,96 88.307,97 2.452,98 0.466,99 0.358,100 8.269,101 3.03,102 56.976,103 2.062,104 18,105 28,106 0.408,107 0.758,108 0.81,109 0.837,110 0.837,111 0.837,112 3.055,113 0.932,114 -3.24,115 -3.23,116 -3.1,120 39.3,126 1,143 4,145 2,146 1,154 1,159 1,163 1,167 2,174 2,176 1,177 4,180 2,182 1,185 4,188 2,189 4,192 1,197 4,200 3,201 1,204 1,213 1,214 4,217 2,219 2,226 1,227 2,232 2,239 3,240 2,247 2,251 2,252 3,257 1,260 2,264 2,274 514,275 13.085,276 13.085,277 13.085,278 13.085,279 13.085,280 11.256,281 17.36,282 7.8,283 13.677,284 10.35,285 10.35,286 10.35,287 10.35,288 10.35,289 7.621,290 22.709,291 3.741,292 11.407,293 2.672,294 0.843,295 0.571,296 0.429,297 0.429,298 0.429,299 3.711,303 1,306 1,307 1,308 419,309 3.317,312 63.602,313 75.14,320 1.565,321 31.075,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 45.833,333 203,334 4.31,335 3.783,336 6.005,337 3.747,338 2.867,339 4.018,340 2.612,341 8.6,342 2.531,343 4.017,344 3.619,345 5.444,346 3.567,347 2.633,348 3.616,349 2.03,350 7.218,351 2.442,352 3.802,353 2.987,354 5.35,355 3.382,356 2.424,357 3.188,358 0.892,359 6.868,360 2.314,361 3.5,362 2.694,363 4.907,364 2.989,365 2.116,366 2.771,367 0.141,368 5.734,369 1.82,370 3.365,371 2.589,372 4.732,373 2.855,374 1.922,375 2.617,377 5.2,378 1.699,379 2.7,380 1.711,381 3.666,382 2.057,383 1.114,384 1.694,386 2.672,387 1.039,388 2.5,389 1.485,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.176,398 1,399 3.253,400 1.539,401 0.672,402 1.001,404 1.617,405 0.564,406 1.863,407 1,408 3.124,409 1.479,410 0.638,411 0.746,413 1.48,414 0.523,415 1.098,416 0.754,417 2.523,418 0.688,419 -0.153,420 -0.18,422 -0.347,423 -0.109,424 1,425 0.608,426 2,427 0.531,428 -0.421,429 -0.543,431 -1.069,432 -0.371,433 0.997,434 0.337,435 1.92,437 -1,438 -1.209,440 -2,441 -0.778,442 0.5,443 -0.212,444 1.769,446 -1,447 -1.5,449 -2.522,450 -1,451 0.272,452 -0.709,453 1.566,454 -0.089,455 -1,456 -1.614,458 -3,459 -1,460 0.13,461 -0.894,462 1.333,463 -0.35,464 -1.235,465 -1.784,467 -3.217,468 -1.104,469 9.581,470 0.479,471 0.544,472 0.027,473 28.75,474 1.438,475 15.5,476 0.775,477 13.25,478 0.663,479 11.979,480 0.599,481 21.619,482 0.772,483 18.816,484 0.941,485 5.772,486 0.289,487 3.77,488 0.188,489 0.179,491 0.303,496 0.602,497 1.117,498 0.576,499 0.767,500 0.55,501 0.752,502 0.768,503 1.228,504 0.726,505 1.023,506 0.523,507 0.933,508 1.121,509 1.045,510 1.295,511 1.236,512 0.961,513 1.167,514 1.07,515 0.879,516 0.99,517 0.976,518 0.996,519 1.121,520 0.575,521 1.024,522 0.746,523 1.151,524 0.631,525 1.022,526 1.202,527 1.052,528 0.693,529 0.798,530 1.361,531 1.015,532 1.098,533 0.682,534 1.164,535 0.7,536 0.959,537 0.798,538 0.797,539 0.813,540 1.294,541 1.071,542 1.053,543 0.949,544 5,545 0.079,546 2,547 0.972,548 0.992,549 0.417,550 0.34,551 0.196,552 0.083,553 0.141,554 4050,555 19671,556 1.966,557 28.6,559 6,561 1,562 1,567 1.61,568 1.818,569 3.33,570 -0.074,572 1,574 1,575 59.797,576 2.136,577 3.964,578 4.236,579 4.379,580 4.379,581 4.379,582 2.746,583 3.584,584 4.295,585 3.478,586 660.909,587 7.296,588 7128.44,589 1,590 1,592 1,593 134.606,594 1.485,595 4.237,596 0.238,597 0.008,598 0.071,599 0.041,600 0.05,601 0.023,602 0.021,603 0.012,604 0.006,605 0.013,606 0.483,607 0.33,608 1,609 0.897,610 91.266,611 0.052,612 0.007,613 0.011,614 0.073,615 -0.031,616 0.013,617 0.049,618 -0.177,619 0.058,620 -0.071,621 0.139,622 -0.076,623 -0.142,624 -0.063,625 -0.232,626 -0.189,627 -0.116,628 -0.196,629 -0.063,630 0.017,631 -0.078,632 -0.078,633 -0.067,634 -0.117,635 0.285,636 -0.057,637 0.148,638 -0.186,639 0.149,640 0.058,641 -0.208,642 -0.166,643 0.04,644 0.024,645 -0.24,646 -0.013,647 -0.004,648 0.253,649 -0.103,650 0.265,651 0.224,652 0.192,653 0.234,654 0.215,655 -0.116,656 0.128,657 0.027,658 0.051,659 2.572,660 4.566,661 0.55,662 15.74,663 1.059,664 1.123,665 2.012,666 4.047,667 0.737,668 3.091,669 3.367,670 3.497,671 3.638,672 3.738,673 3.638,674 3.526,675 3.497,676 3.401,677 3.497,678 6.019,679 0.733,680 313.74,681 3.091,682 4.595,683 5.389,684 6.225,685 7.038,686 7.872,687 8.693,688 9.526,689 10.35,690 11.183,691 10.7,698 1,701 1,702 1,709 5,710 1,713 1,714 4,716 11,731 1,735 1,737 1,738 28,739 14,740 1,741 21,743 29,744 11,745 9,746 2,747 4,752 2,753 2,754 1,768 10,769 1,772 3,775 1,778 3,782 1,786 1,789 8,790 6,791 1,792 9,793 2,797 3,803 1,804 4,822 1,823 1,838 1,855 2,857 1,860 1,862 20,869 1,871 1,872 1,879 1,885 1,886 14.3,889 1,891 1,892 2,893 11,894 5.043,895 4.444,896 1.408,898 2.043,899 1.334,900 0.94,901 5.005,902 8.168,903 3.418,904 3.984,905 4.396,906 4.859,907 5.193,908 5.207,909 5.083,910 5.151,911 5.118,912 5.388,913 0.857,914 24,915 7.316,917 3.074,918 8.389,919 13.042,921 9.958,924 2.889,925 57.778,929 82.398,930 97.701,931 40.466,932 39.149,933 86.892,935 31.278,936 66.424,937 208.438,938 40.466,939 5.67,940 22.603,941 37.905,942 58.406,943 30.222,945 101.904,946 89.896,947 82.398,948 106.89,949 86.892,950 70.426,952 82.398,953 36.145,954 50.747,956 33.081,957 51.354,958 61.604,959 31.278,960 82.398,961 127.358,962 136.85,965 82.398,966 50.749,967 52.622,968 18.011,969 142.826,970 82.398,971 127.358,972 136.85,973 0.579,974 0.312,975 0.149,976 0.082,977 12,978 6,979 0.172,980 5,982 1,983 3.324,984 133.784,986 11,987 80.439,989 1,993 14.842,994 6.744,995 4.504,997 121.688,998 7.617,999 3.716,1002 0.778,1003 1.076,1005 18.011,1006 346.606,1007 29.5,1010 -0.572,1013 32.499,1017 -0.454,1020 29.666,1021 31.442,1022 0.444,1023 0.825,1024 0.881,1025 0.911,1026 0.911,1027 0.911,1028 4.613,1029 0.672,1030 5.361,1031 2.275,1032 4.043,1033 4.668,1034 3.04,1035 6.066,1036 3.856,1037 5.817,1038 0.638,1039 6.864,1040 1.617,1041 3.611,1042 4.511,1043 2.675,1044 6.749,1045 3.305,1046 7.11,1047 -0.153,1048 8.455,1049 1.48,1050 5.549,1051 6.81,1052 4.488,1053 9.716,1054 5.177,1055 8.434,1056 -0.421,1057 10.093,1058 -0.347,1059 5.861,1060 7.42,1061 4.738,1062 11.157,1063 5.35,1064 9.782,1065 -1,1066 11.761,1067 -1.069,1068 7.291,1069 9.206,1070 6.156,1071 13.622,1072 6.732,1073 11.146,1074 -1,1075 13.448,1076 -2,1077 7.943,1078 10.168,1079 6.707,1080 15.404,1081 7.234,1082 12.522,1083 -1,1084 15.15,1085 -2.522,1086 9.157,1087 11.741,1088 7.923,1089 17.675,1090 8.399,1091 2.867,1092 -1.235,1093 16.862,1094 -3,1095 9.984,1096 12.885,1097 8.643,1098 19.629,1099 9.071,1100 2.633,1101 8.6,1102 18.583,1103 -3.217,1104 11.098,1105 14.359,1106 9.749,1107 21.819,1108 10.126,1109 2.424,1110 7.218,1111 20.312,1112 4.018,1113 12.019,1114 15.604,1115 10.568,1116 23.864,1117 10.893,1118 2.116,1119 6.868,1120 22.047,1121 3.616,1122 13.086,1123 17.028,1124 11.611,1125 26.02,1126 11.888,1127 1.922,1128 5.734,1129 23.788,1130 3.188,1131 14.058,1132 18.33,1133 12.489,1134 28.112,1135 12.71,1136 1.114,1137 5.2,1138 25.534,1139 2.771,1140 15.105,1141 19.731,1142 13.497,1143 30.258,1144 13.67,1145 1,1146 2.672,1147 27.284,1148 2.617,1149 16.106,1150 21.065,1151 14.408,1152 32.375,1153 14.526,1154 4093,1155 9166,1156 13.523,1157 20.625,1158 31.18,1159 32.347,1160 31.792,1161 30.859,1162 30.769,1163 42.3,1164 11.352,1165 83.328,1166 27.864,1167 5.207,1168 5.783,1169 5.419,1170 4.877,1171 4.867,1172 7.018,1173 4.612,1174 14.506,1175 4.531,1176 11.221,1177 1.485,1178 1.54,1179 1.514,1180 1.469,1181 1.465,1182 2.014,1183 0.541,1184 3.968,1185 1.327,1186 3.949,1187 3.968,1188 4.269,1189 3.85,1190 7.815,1191 3.833,1192 3.888,1193 3.905,1194 3.99,1195 3.816,1196 7.429,1197 3.773,1198 3.57,1199 3.598,1200 3.56,1201 3.283,1202 6.999,1203 3.327,1204 3.313,1205 3.334,1206 3.432,1207 2.864,1208 4.975,1209 2.968,1210 2.932,1211 2.945,1212 3.258,1213 2.758,1214 4.811,1215 2.774,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.572,1221 2.715,1222 2.616,1223 2.703,1224 2.599,1225 2.353,1226 4.011,1227 2.357,1228 2.271,1229 2.281,1230 2.583,1231 2.106,1232 3.707,1233 2.028,1234 0.205,1235 0.18,1236 0.286,1237 0.178,1238 0.137,1239 4.31,1240 0.191,1241 3.783,1242 0.124,1243 6.005,1244 0.41,1245 3.747,1246 0.121,1247 2.867,1248 4.018,1249 2.612,1250 8.6,1251 2.531,1252 1.867,1253 1.849,1254 1.957,1255 1.963,1256 1.042,1257 1.966,1258 1.536,1259 1.531,1260 1.628,1261 1.913,1262 0.757,1263 1.797,1264 1.485,1265 1.445,1266 1.526,1267 1.752,1268 0.594,1269 1.721,1270 1.142,1271 1.109,1272 1.189,1273 1.393,1274 0.305,1275 1.37,1276 0.886,1277 0.821,1278 1.181,1279 1.109,1280 0.218,1281 1.107,1282 0.802,1283 0.787,1284 0.922,1285 1.062,1286 0.033,1287 1.083,1288 0.7,1289 0.69,1290 0.862,1291 0.89,1293 0.916,1294 0.335,1295 0.282,1296 0.381,1297 0.639,1299 0.651,1300 3.761,1302 5.043,1303 2.398,1304 6.485,1305 4.595,1306 7.994,1307 6.581,1308 9.539,1311 5.713,1315 -0.227,1317 2.412,1318 5.222,1326 20.518,1327 59.797,1328 110.996,1329 118.606,1330 122.606,1331 122.606,1332 122.606,1333 42.017,1334 6.125,1335 97.04,1336 125.28,1337 11,1338 11.755,1339 3.907,1340 3.248,1341 36.778,1342 72,1343 66,1344 0.248,1345 136.839,1346 235.74,1347 325.648,1348 3230,1349 3.6,1350 14.535,1351 0.727,1352 0.574,1353 15.389,1354 11.48,1355 9.542,1356 0.454,1357 0.311,1358 5.306,1359 8.237,1360 5.136,1361 4.235,1362 10.239,1363 6.523,1364 8.727,1365 0.312,1366 0.178,1367 9.804,1368 4.997,1369 6.463,1370 0.202,1371 0.101,1372 7.593,1373 3.22,1374 4.758,1375 0.129,1376 0.055,1377 5.701,1378 2.017,1379 3.614,1380 0.088,1381 0.028,1382 4.379,1383 1.152,1384 0.399,1385 68.755,1386 0.272,1387 20.506,1388 0.647,1389 98,1390 441.629,1391 156.575,1392 462.34,1393 589.66,1394 424,1395 109,1396 377.78,1397 156.852,1398 396.457,1399 568.86,1400 369,1401 6.417}
{0 CHEMBL1336399,1 1.524,2 8.4,3 3.25,4 10.564,5 86.418,6 8.597,7 0.5,8 3.753,9 3.875,10 3.453,11 3.331,12 4.744,13 3.276,14 4.316,15 4.514,16 3.869,17 3.755,18 5.219,19 3.676,20 4.579,21 4.782,22 3.929,23 3.96,24 5.455,25 3.825,26 4.714,27 4.974,28 3.807,29 3.912,30 5.525,31 3.729,32 4.609,33 4.897,34 3.751,35 3.748,36 5.41,37 3.587,38 4.363,39 4.565,40 3.676,41 3.651,42 5.321,43 3.51,44 4.412,45 4.667,46 3.631,47 3.564,48 5.287,49 3.372,50 4.177,51 4.477,52 3.315,53 3.307,54 4.883,55 3.07,56 0.036,57 0.549,58 7.383,59 3.71,60 6.483,61 4.966,62 0.154,63 0.935,64 16.806,65 6.08,66 12.379,67 8.355,68 0.188,69 1.14,70 28.454,71 9.301,72 17.214,73 12.197,74 0.231,75 1.197,76 32.838,77 10.965,78 28.557,79 14.67,80 0.222,81 1.068,82 32.685,83 9.325,84 25.832,85 12.532,86 0.188,87 0.851,88 22.509,89 7.398,90 24.184,91 9.312,92 0.305,93 0.856,94 32.425,95 8.049,96 31.213,97 10.512,98 0.116,99 0.68,100 23.546,101 6.552,102 15.258,103 8.74,104 10,105 31,106 0.275,107 0.568,108 0.712,109 0.784,110 0.83,111 0.83,112 3.059,113 1.055,114 -4,115 -3.95,116 -3.75,118 1,120 41,125 1,126 5,143 5,144 3,145 2,174 7,177 1,182 2,185 12,188 1,189 1,194 2,197 10,201 3,204 1,206 2,209 4,214 4,219 2,222 3,227 1,240 4,243 1,245 1,252 3,274 496,275 13.378,276 13.378,277 13.378,278 13.378,279 13.378,280 12.014,281 14.97,282 7.809,283 13.801,284 10.848,285 10.848,286 10.848,287 10.848,288 10.848,289 8.829,290 18.851,291 3.739,292 11.587,293 3.762,294 2.137,295 1.343,296 0.942,297 0.686,298 0.686,299 3.738,305 1,306 1,307 1,308 361,309 2.121,313 147.993,317 78.93,320 1.14,321 12.204,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 41.75,333 168,334 4.582,335 3.315,336 6.686,337 4.134,338 3.147,339 4.519,340 0.916,341 10.797,342 3.104,343 3.877,344 2.953,345 5.704,346 3.553,347 2.624,348 3.373,349 0.8,350 7.706,351 2.434,352 3.583,353 2.822,354 5.363,355 3.363,356 2.436,357 2.708,358 0.172,359 6.9,360 2.25,361 3.358,362 2.464,363 4.932,364 2.97,365 2.067,366 2.608,368 5.685,369 1.868,370 3.226,371 2.292,372 4.885,373 2.847,374 1.953,375 2.508,377 5.549,378 1.69,379 3.033,380 1.829,381 4.603,382 2.706,383 1.72,384 2.056,386 4.701,387 1.62,388 2.391,389 1.203,390 3.72,391 1.969,392 1,393 1.348,395 2.539,396 0.965,397 2,398 1.146,399 3.414,400 1.967,401 0.988,402 1,404 2.275,405 0.954,406 1.634,407 0.645,408 3.061,409 1.362,410 0.406,411 0.478,413 0.975,414 0.386,415 1.257,416 0.411,417 2.65,418 0.911,424 0.944,425 0.093,426 2.465,427 0.652,428 -0.263,429 -0.307,431 -0.622,432 -0.197,433 0.735,434 -0.344,435 2.33,436 0.283,437 -0.643,438 -0.86,440 -1.722,441 -0.521,442 0.265,443 -0.6,444 2,445 0.018,446 -0.865,447 -0.97,449 -2.349,450 -0.764,451 0.221,452 -0.61,453 1.823,454 -0.1,455 -1,456 -1,458 -3,459 -0.9,461 -0.964,462 1.737,463 -0.242,464 -1.184,465 -1.431,467 -3.193,468 -1.004,469 10.467,470 0.523,471 0.541,472 0.027,473 23.25,474 1.163,475 10.5,476 0.525,477 12.75,478 0.638,479 17.78,480 0.889,481 21.333,482 0.547,483 13.879,484 0.694,485 4.431,486 0.222,487 5.2,488 0.26,489 0.207,491 0.315,496 0.927,497 1.377,498 0.504,499 0.883,500 0.928,501 0.931,502 1.137,503 0.879,504 0.563,505 0.647,506 0.559,507 0.758,508 0.955,509 1.029,510 0.869,511 1.028,512 0.811,513 1.096,514 0.741,515 1.071,516 0.584,517 0.923,518 0.928,519 1.009,520 0.949,521 0.788,522 0.596,523 0.688,524 0.849,525 0.722,526 1.649,527 1.12,528 0.832,529 1.02,530 2.096,531 1.119,532 0.884,533 1.084,534 0.941,535 1.135,536 1.291,537 1.115,538 0.605,539 0.986,540 0.848,541 0.915,542 0.428,543 0.946,544 4.5,545 0.041,546 2.444,547 1.188,548 1.52,549 0.549,550 0.362,551 0.285,552 0.168,553 0.056,554 3622,555 9199,556 2.077,557 48.7,559 18,562 1,567 1.62,568 1.935,569 3.046,570 -0.32,571 1,572 1,574 1,575 59.42,576 1.524,577 3.149,578 3.943,579 4.343,580 4.599,581 4.599,582 2.428,583 3.822,584 4.293,585 3.132,586 595.067,587 7.347,588 5936,589 1,590 1,591 1,592 1,593 206.131,594 1.441,595 4.248,596 0.205,597 0.021,598 0.079,599 0.038,600 0.061,601 0.023,602 0.017,603 0.018,604 0.015,605 0.009,606 0.486,607 0.83,608 1,609 0.627,610 87.447,611 -0.045,612 -0.202,613 0.003,614 -0.023,615 -0.078,616 0.004,617 -0.177,618 0.298,619 0.022,620 0.187,621 0.045,622 0.146,623 -0.084,624 0.028,625 -0.072,626 -0.099,627 -0.014,628 -0.138,629 0.096,630 -0.145,631 0.028,632 -0.038,633 0.041,634 -0.043,635 0.017,636 0.154,637 0.077,638 0.188,639 0.098,640 0.227,641 -0.229,642 -0.136,643 -0.053,644 -0.099,645 -0.297,646 -0.181,647 0.194,648 -0.172,649 -0.001,650 -0.168,651 -0.026,652 -0.14,653 0.061,654 -0.08,655 0.056,656 0.038,657 0.099,658 0.042,659 1.265,660 4.212,661 0.8,662 12.76,663 0.993,664 1.123,665 2.773,666 7.687,667 0.684,668 3.135,669 3.466,670 3.714,671 3.97,672 4.263,673 4.248,674 4.304,675 4.407,676 4.419,677 4.22,678 4.854,679 0.629,680 335.27,681 3.135,682 4.673,683 5.517,684 6.395,685 7.262,686 8.144,687 9.019,688 9.903,689 10.783,690 11.668,691 5.1,694 2,708 2,709 5,714 3,716 11,734 1,737 1,738 39,739 11,740 2,741 22,742 1,743 41,744 16,745 10,746 5,747 5,752 3,753 4,768 10,769 6,785 1,786 1,789 19,790 3,791 1,792 4,793 1,797 2,803 0.667,804 1,823 3,827 1,851 2,855 2,858 1,859 1,862 20,868 1,869 5,875 2,885 1,886 2.6,888 1,893 10.333,894 7.16,895 4.333,896 2.32,898 2.38,899 1.353,900 0.975,901 4.08,902 9.113,903 3.35,904 3.961,905 4.543,906 5.15,907 5.766,908 6.047,909 6.376,910 6.703,911 6.99,912 6.695,913 0.833,914 31,915 7.411,917 3.109,918 7.529,919 14.624,921 12.222,924 2.029,925 40.583,926 0.002,929 211.88,930 77.693,931 52.203,933 42.683,936 123.647,937 254.563,938 6.249,939 8.396,940 10.529,941 47.381,942 42.683,943 17.635,945 211.88,946 45.954,947 211.88,948 83.941,949 42.683,951 45.954,952 211.88,953 42.683,956 16.777,957 67.164,959 45.954,960 211.88,961 48.932,962 123.647,965 211.88,966 21.915,967 62.026,968 45.954,969 42.683,970 211.88,971 48.932,972 123.647,973 0.588,974 0.336,975 0.178,976 0.11,977 16,978 7,979 0.049,980 2,981 1,982 1.125,983 3.214,984 152.535,985 0.125,986 16,987 82.439,993 14.021,994 5.82,995 3.066,996 2.313,997 48.932,998 10.005,1003 2.513,1005 42.683,1006 384.459,1007 27.5,1020 38.712,1021 43.784,1022 0.288,1023 0.596,1024 0.746,1025 0.822,1026 0.87,1027 0.87,1028 4.593,1029 0.988,1030 5.509,1031 2.539,1032 4.143,1033 4.644,1034 1.242,1035 6.308,1036 4.027,1037 5.793,1038 0.406,1039 7.062,1040 2.275,1041 3.761,1042 4.543,1043 0.57,1044 7.182,1045 3.537,1046 7.101,1048 8.711,1049 0.975,1050 5.727,1051 6.881,1052 0.883,1053 10.274,1054 5.538,1055 8.443,1056 -0.263,1057 10.417,1059 6.111,1060 7.613,1061 0.581,1062 11.988,1063 5.863,1064 9.819,1065 -0.643,1066 12.16,1067 -0.622,1068 7.58,1069 9.472,1070 0.68,1071 14.622,1072 7.353,1073 11.219,1074 -0.865,1075 13.931,1076 -1.722,1077 8.34,1078 10.612,1079 0.515,1080 16.715,1081 8.091,1082 12.641,1083 -1,1084 15.724,1085 -2.349,1086 9.604,1087 12.271,1088 0.541,1089 19.189,1090 9.362,1091 3.147,1092 -1.184,1093 17.534,1094 -3,1095 10.555,1096 13.611,1097 0.441,1098 21.448,1099 10.309,1100 2.624,1101 10.797,1102 19.36,1103 -3.193,1104 11.734,1105 15.183,1106 0.438,1107 23.862,1108 11.49,1109 2.436,1110 7.706,1111 21.199,1112 4.519,1113 12.782,1114 16.614,1115 0.373,1116 26.19,1117 12.536,1118 2.067,1119 6.9,1120 23.048,1121 3.373,1122 13.93,1123 18.149,1124 0.358,1125 28.583,1126 13.682,1127 1.953,1128 5.685,1129 24.905,1130 2.708,1131 15.024,1132 19.622,1133 0.314,1134 30.94,1135 14.774,1136 1.72,1137 5.549,1138 26.77,1139 2.608,1140 16.162,1141 21.141,1142 0.296,1143 33.324,1144 15.908,1145 1,1146 4.701,1147 28.641,1148 2.508,1149 17.28,1150 22.633,1151 0.264,1152 35.694,1153 17.021,1154 3552,1155 5761,1156 14.622,1157 26.671,1158 32.882,1159 33.234,1160 34.008,1161 32.97,1162 32.684,1163 41.199,1164 3.778,1165 94.252,1166 30.54,1167 5.582,1168 5.315,1169 6.1,1170 5.201,1171 5.147,1172 7.519,1173 1.605,1174 17.97,1175 5.104,1176 9.423,1177 1.495,1178 1.511,1179 1.546,1180 1.499,1181 1.486,1182 1.873,1183 0.172,1184 4.284,1185 1.388,1186 4.1,1187 4.118,1188 6.88,1189 4.066,1190 6.469,1191 4.058,1192 3.822,1193 3.898,1194 4.026,1195 3.627,1196 4.839,1197 3.634,1198 3.508,1199 3.537,1200 3.697,1201 3.449,1202 4.397,1203 3.424,1204 3.288,1205 3.373,1206 3.327,1207 3.109,1208 4.216,1209 3.104,1210 3.111,1211 3.206,1212 3.139,1213 2.941,1214 3.963,1215 2.91,1216 3.061,1217 3.134,1218 2.894,1219 2.898,1220 3.761,1221 2.881,1222 2.814,1223 2.896,1224 2.866,1225 2.698,1226 3.474,1227 2.646,1228 2.747,1229 2.764,1230 2.6,1231 2.619,1232 3.401,1233 2.593,1234 0.208,1235 0.151,1236 0.304,1237 0.188,1238 0.143,1239 4.582,1240 0.205,1241 3.315,1242 0.042,1243 6.686,1244 0.491,1245 4.134,1246 0.141,1247 3.147,1248 4.519,1249 0.916,1250 10.797,1251 3.104,1252 2.076,1253 2.063,1254 2.137,1255 2.134,1256 1.363,1257 2.141,1258 1.771,1259 1.697,1260 1.981,1261 1.993,1262 1.258,1263 1.997,1264 1.486,1265 1.46,1266 1.624,1267 1.615,1268 0.825,1269 1.629,1270 1.269,1271 1.192,1272 1.548,1273 1.504,1274 0.817,1275 1.524,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.638,1281 1.429,1282 1.08,1283 1,1284 1.401,1285 1.279,1286 0.548,1287 1.326,1288 0.82,1289 0.738,1290 1.118,1291 1.071,1292 0.244,1293 1.088,1294 0.677,1295 0.663,1296 0.969,1297 0.887,1298 0.147,1299 0.892,1300 3.807,1302 5.13,1304 6.655,1306 8.276,1308 9.947,1309 3.502,1310 2.157,1314 10.212,1315 5.124,1321 4.757,1326 24.524,1327 59.42,1328 122.806,1329 153.766,1330 169.376,1331 179.376,1332 179.376,1333 26.186,1334 6.733,1335 26.71,1336 26.71,1337 18,1338 12.201,1339 3.585,1340 2.7,1341 29.871,1342 56,1343 64,1344 0.261,1345 156.929,1346 263.35,1347 374.668,1348 6694,1349 2.6,1350 14.113,1351 0.706,1352 0.661,1353 15.113,1354 13.228,1355 9.631,1356 0.438,1357 0.352,1358 6.909,1359 8.775,1360 6.651,1361 5.483,1362 10.208,1363 7.736,1364 8.922,1365 0.288,1366 0.207,1367 9.739,1368 6.424,1369 7.318,1370 0.183,1371 0.113,1372 7.842,1373 4.54,1374 5.888,1375 0.113,1376 0.06,1377 6.357,1378 3.128,1379 5.261,1380 0.075,1381 0.035,1382 5.746,1383 2.462,1384 0.396,1385 68.044,1386 0.262,1387 19.643,1388 0.755,1389 106,1390 256.094,1391 177.804,1392 289.617,1393 385.69,1394 270,1395 124,1396 253.637,1397 159.142,1398 274.911,1399 400.55,1400 257,1401 4.95}
{0 CHEMBL1336413,1 1.999,2 9.52,3 3.509,4 12.314,5 91.996,6 11.229,7 0.444,8 3.753,9 3.786,10 3.783,11 3.362,12 4.996,13 3.359,14 4.27,15 4.325,16 4.132,17 3.738,18 5.861,19 3.735,20 4.501,21 4.589,22 4.33,23 3.901,24 5.892,25 3.858,26 4.499,27 4.576,28 4.409,29 3.817,30 6.159,31 3.787,32 4.4,33 4.525,34 4.096,35 3.643,36 5.782,37 3.605,38 4.305,39 4.395,40 4.166,41 3.495,42 6.287,43 3.512,44 4.102,45 4.221,46 3.678,47 3.42,48 5.517,49 3.365,50 4.004,51 4.112,52 3.649,53 3.29,54 5.428,55 3.282,56 0.288,57 0.487,58 3.418,59 3.519,60 40.614,61 2.543,62 0.742,63 0.752,64 6.896,65 5.852,66 91.87,67 4.674,68 0.979,69 0.914,70 18.258,71 8.27,72 97.121,73 6.297,74 1.097,75 0.886,76 23,77 8.427,78 125.535,79 6.06,80 0.904,81 0.826,82 22.433,83 7.958,84 134.291,85 6.288,86 1.197,87 0.688,88 15.623,89 6.273,90 179.327,91 5.324,92 0.746,93 0.58,94 17.762,95 5.757,96 86.775,97 5.104,98 0.626,99 0.509,100 12.858,101 5.122,102 73.796,103 4.445,104 38,105 40,106 0.36,107 0.715,108 0.783,109 0.861,110 0.871,111 0.881,112 3.267,113 1.018,114 -2.6,115 -2.62,116 -2.56,120 41.7,126 2,143 5,144 1,145 6,159 1,168 1,172 1,174 2,175 1,176 1,177 3,180 3,182 3,185 5,186 1,188 1,189 6,194 3,197 4,198 2,201 13,204 1,206 5,209 2,214 2,215 2,217 1,220 1,222 2,223 1,226 4,227 3,230 3,231 1,232 2,235 7,239 2,240 1,247 3,248 2,252 6,257 2,260 2,261 1,264 4,265 1,269 1,271 1,274 883,275 16.11,276 16.11,277 16.11,278 16.11,279 16.11,280 14.15,281 18.601,282 9.195,283 16.77,284 13.3,285 13.3,286 13.3,287 13.3,288 13.3,289 10.182,290 18.792,291 4.338,292 14.491,293 3.171,294 1.201,295 0.822,296 0.389,297 0.333,298 0.278,299 3.94,303 2,306 1,307 1,308 503,309 3.674,313 219.262,317 115.116,320 1.459,321 51.282,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 57.167,333 238,334 4.902,335 4.717,336 7.408,337 4.369,338 3.454,339 4.762,340 1.437,341 12.924,342 3.13,343 4.31,344 3.625,345 6.356,346 3.891,347 2.939,348 3.949,349 0.86,350 9.518,351 2.788,352 4.249,353 3.253,354 6.182,355 3.819,356 2.874,357 3.877,358 0.86,359 9.211,360 2.699,361 3.672,362 3.01,363 5.595,364 3.237,365 2.309,366 3.03,368 7.149,369 2.111,370 3.486,371 2.637,372 5.156,373 3.041,374 2.106,375 2.8,377 6.202,378 1.917,379 3.131,380 2.437,381 4.717,382 2.6,383 1.714,384 2.302,386 4.726,387 1.469,388 2.923,389 2.176,390 4.413,391 2.53,392 1.618,393 2.061,395 4.357,396 1.423,397 2.716,398 1.813,399 4.086,400 2.319,401 1.402,402 1.738,404 3.182,405 1.27,406 2.476,407 1.615,408 3.62,409 2.182,410 1.213,411 1.474,413 2.997,414 1.13,415 1.922,416 1.088,417 3.39,418 1.603,419 0.703,420 0.832,422 1.629,423 0.626,424 1.465,425 0.99,426 3.156,427 0.993,428 0.159,429 0.191,431 0.422,432 0.112,433 1.212,434 0.431,435 2.861,436 0.851,437 -0.07,438 -0.086,440 -0.19,441 -0.063,442 1,443 0.257,444 2.622,445 0.314,446 -0.509,447 -0.618,449 -1.248,450 -0.293,451 0.823,452 0.244,453 2.334,454 0.305,455 -0.618,456 -0.729,458 -1.59,459 -0.563,460 0.687,461 -0.137,462 2.243,463 0.208,464 -0.727,465 -0.851,467 -1.978,468 -0.669,469 12.162,470 0.486,471 0.896,472 0.036,473 34.25,474 1.37,475 18,476 0.72,477 16.25,478 0.65,479 18.985,480 0.759,481 27.438,482 0.762,483 27.337,484 1.093,485 6.722,486 0.269,487 5.054,488 0.202,489 0.227,490 0.069,491 0.329,496 0.74,497 1.213,498 0.621,499 1.068,500 0.745,501 0.763,502 0.825,503 1.057,504 0.705,505 0.829,506 0.538,507 0.805,508 1.119,509 1.083,510 0.947,511 0.894,512 0.925,513 0.907,514 1.003,515 1.179,516 1.138,517 1.271,518 1.058,519 1.129,520 1.106,521 1.131,522 0.866,523 1.063,524 1.435,525 1.001,526 0.477,527 0.816,528 0.747,529 0.923,530 0.631,531 0.872,532 0.974,533 0.819,534 1.289,535 1.008,536 0.974,537 1.03,538 1.08,539 1.023,540 0.967,541 1.035,542 1.045,543 0.983,544 7,545 0.148,546 3.778,547 2.563,548 1.88,549 1.292,550 0.506,551 0.427,552 0.271,553 0.171,554 6539,555 29148,556 1.982,557 30.6,559 9,562 2,567 1.682,568 1.796,569 3.222,570 0.431,572 1,575 71.95,576 1.999,577 3.969,578 4.347,579 4.781,580 4.837,581 4.892,582 2.675,583 4.294,584 4.618,585 3.384,586 1015.2,587 7.994,588 12023.7,590 1,592 1,593 186.117,594 1.735,595 4.532,596 0.259,597 0.011,598 0.094,599 0.061,600 0.048,601 0.042,602 0.016,603 0.018,604 0.012,605 0.01,606 0.571,607 0.33,608 1,609 0.866,610 119.304,611 -0.063,612 -0.083,613 0.063,614 -0.08,615 -0.154,616 0.041,617 0.028,619 -0.015,620 0.073,621 0.204,622 0.019,623 -0.214,624 -0.058,625 -0.012,626 0.109,627 -0.129,628 0.028,629 -0.018,630 -0.152,631 -0.016,632 -0.203,633 0.028,634 -0.192,635 -0.165,636 -0.118,637 0.082,638 -0.021,639 -0.286,640 0.031,641 0.627,642 0.174,643 0.226,644 0.022,645 0.653,646 0.069,647 -0.064,648 0.148,649 -0.231,650 -0.012,651 -0.089,653 -0.13,654 -0.115,655 -0.043,656 -0.095,657 -0.111,658 0.026,659 5.06,660 5.573,661 0.64,662 19.398,663 1.058,664 1.113,665 1.371,666 1.88,667 0.741,668 3.332,669 3.714,670 3.951,671 4.205,672 4.394,673 4.477,674 4.419,675 4.522,676 4.489,677 4.489,678 5.751,679 0.731,680 404.24,681 3.332,682 4.905,683 5.759,684 6.663,685 7.534,686 8.441,687 9.317,688 10.225,689 11.103,690 12.012,691 2.8,696 1,709 5,714 7,716 12,725 1,735 2,737 2,738 36,739 15,740 2,741 27,743 38,744 15,745 12,746 7,747 5,748 1,752 3,753 4,754 2,768 13,769 2,772 3,776 1,778 3,782 1,786 1,789 11,790 7,791 2,792 10,793 3,797 1,803 0.667,804 6,823 3,827 1,853 1,855 2,857 1,860 2,862 25,866 1,868 1,869 2,871 1,872 2,885 2,886 16.7,888 1,889 3,891 2,893 13.917,894 6.402,895 5.319,896 1.892,898 2.343,899 1.332,900 0.964,901 5.131,902 9.407,903 3.611,904 4.277,905 4.775,906 5.329,907 5.823,908 6.111,909 6.215,910 6.453,911 6.475,912 6.751,913 1,914 42,915 9.616,917 4.639,918 8.379,919 16.64,921 13.772,924 2.879,925 71.972,929 105.94,930 88.264,931 16.405,932 78.297,933 134.141,935 5.807,936 82.457,937 318.378,938 16.405,940 9.185,941 53.189,942 129.456,943 46.981,945 105.94,946 78.297,947 105.94,948 98.862,949 134.141,950 84.105,952 105.94,953 134.141,956 9.185,957 73.272,958 100.51,960 105.94,961 150.546,962 166.562,964 5.807,965 105.94,966 35.076,967 47.381,968 16.405,969 212.438,970 105.94,971 150.546,972 166.562,973 0.602,974 0.347,975 0.183,976 0.095,977 20,978 10,979 0.105,980 4,981 1,982 1.125,983 3.527,984 209.542,985 0.125,986 16,987 114.096,992 1,993 18.29,994 7.013,995 3.856,997 150.546,998 6.512,1003 0.009,1005 59.088,1006 423.048,1007 36,1011 -4.144,1013 36.304,1017 -1.363,1020 38.091,1021 40.054,1022 0.387,1023 0.768,1024 0.841,1025 0.925,1026 0.936,1027 0.946,1028 4.883,1029 1.402,1030 5.814,1031 4.357,1032 4.394,1033 4.963,1034 2.09,1035 6.701,1036 4.229,1037 6.154,1038 1.213,1039 7.435,1040 3.182,1041 4.29,1042 5.19,1044 7.949,1045 4.014,1046 7.53,1047 0.703,1048 9.168,1049 2.997,1050 6.116,1051 7.318,1052 2.46,1053 10.998,1054 5.805,1055 8.946,1056 0.159,1057 10.967,1058 1.629,1059 6.77,1060 8.301,1062 13.047,1063 6.337,1064 10.394,1065 -0.07,1066 12.81,1067 0.422,1068 8.171,1069 10.022,1070 3.006,1071 15.72,1072 7.698,1073 11.867,1074 -0.509,1075 14.683,1076 -0.19,1077 9.145,1078 11.315,1080 18.077,1081 8.549,1082 13.358,1083 -0.618,1084 16.579,1085 -1.248,1086 10.406,1087 12.907,1088 3.65,1089 20.651,1090 9.749,1091 3.454,1092 -0.727,1093 18.494,1094 -1.59,1095 11.516,1096 14.333,1098 23.128,1099 10.742,1100 2.939,1101 12.924,1102 20.423,1103 -1.978,1104 12.735,1105 15.885,1106 4.341,1107 25.68,1108 11.882,1109 2.874,1110 9.518,1111 22.364,1112 4.762,1113 13.904,1114 17.373,1116 28.203,1117 12.938,1118 2.309,1119 9.211,1120 24.315,1121 3.949,1122 15.115,1123 18.915,1124 5.052,1125 30.754,1126 14.059,1127 2.106,1128 7.149,1129 26.274,1130 3.877,1131 16.312,1132 20.433,1134 33.297,1135 15.146,1136 1.714,1137 6.202,1138 28.239,1139 3.03,1140 17.526,1141 21.975,1142 5.77,1143 35.85,1144 16.262,1145 1.618,1146 4.726,1147 30.211,1148 2.8,1149 18.737,1150 23.51,1152 38.402,1153 17.365,1154 6443,1155 13773,1156 17.107,1157 26.665,1158 41.172,1159 43.989,1160 42.973,1161 41.126,1162 40.987,1163 54.031,1164 6.313,1165 124.63,1166 37.35,1167 5.846,1168 6.717,1169 7.096,1170 5.509,1171 5.454,1172 7.762,1173 2.873,1174 20.705,1175 5.13,1176 14.991,1177 1.525,1178 1.629,1179 1.592,1180 1.523,1181 1.518,1182 2.001,1183 0.234,1184 4.616,1185 1.383,1186 4.103,1187 4.079,1188 4.745,1189 4.089,1190 7.717,1191 4.013,1192 3.913,1193 3.919,1194 4.025,1195 3.821,1196 7.475,1197 3.829,1198 3.672,1199 3.641,1200 3.873,1201 3.588,1202 6.999,1203 3.514,1204 3.423,1205 3.456,1206 3.583,1207 3.237,1208 6.351,1209 3.237,1210 3.241,1211 3.22,1212 3.311,1213 3.021,1214 4.978,1215 3.046,1216 2.911,1217 2.95,1218 3.291,1219 2.748,1220 4.943,1221 2.748,1222 2.768,1223 2.818,1224 2.818,1225 2.649,1226 4.613,1227 2.639,1228 2.675,1229 2.707,1230 2.779,1231 2.535,1232 4.367,1233 2.51,1234 0.182,1235 0.175,1236 0.274,1237 0.162,1238 0.128,1239 4.902,1240 0.176,1241 4.717,1242 0.053,1243 7.408,1244 0.479,1245 4.369,1246 0.116,1247 3.454,1248 4.762,1249 1.437,1250 12.924,1251 3.13,1252 1.974,1253 1.99,1254 1.981,1255 2.056,1256 1.19,1257 2.073,1258 1.868,1259 1.857,1260 1.894,1261 1.967,1262 1.092,1263 1.969,1264 1.483,1265 1.512,1266 1.682,1267 1.697,1268 0.92,1269 1.704,1270 1.362,1271 1.335,1272 1.194,1273 1.537,1274 0.555,1275 1.562,1276 1.067,1277 1.075,1278 1.163,1279 1.344,1280 0.187,1281 1.293,1282 0.874,1283 0.829,1284 1.085,1285 1.091,1286 0.173,1287 1.098,1288 0.738,1289 0.695,1290 0.942,1291 0.934,1292 0.055,1293 0.953,1294 0.59,1295 0.571,1296 0.904,1297 0.847,1298 0.016,1299 0.858,1300 4.007,1302 5.371,1304 6.929,1306 8.576,1308 10.269,1311 11.706,1314 9.096,1315 0.768,1317 2.327,1318 10.758,1326 26.313,1327 71.95,1328 142.898,1329 156.508,1330 172.117,1331 174.117,1332 176.117,1333 68.82,1334 7.064,1335 101.93,1336 110.31,1337 18,1338 12.534,1339 4,1340 3.322,1341 41.711,1342 85,1343 83,1344 0.24,1345 170.552,1346 303.37,1347 407.907,1348 10249,1349 5.6,1350 18.19,1351 0.728,1352 0.591,1353 19.44,1354 14.782,1355 11.776,1356 0.436,1357 0.339,1358 6.976,1359 9.881,1360 6.696,1361 5.443,1362 13.174,1363 9.165,1364 11.617,1365 0.29,1366 0.187,1367 13.64,1368 7.497,1369 9.011,1370 0.177,1371 0.108,1372 10.814,1373 5.495,1374 7.753,1375 0.117,1376 0.062,1377 10.038,1378 4.121,1379 5.646,1380 0.071,1381 0.033,1382 7.019,1383 2.652,1384 0.37,1385 89.568,1386 0.242,1387 23.967,1388 0.678,1389 134,1390 544.427,1391 219.461,1392 586.531,1393 753.11,1394 536,1395 158,1396 461.405,1397 248.265,1398 514.816,1399 756.38,1400 481,1401 5.594}
{0 CHEMBL1336419,1 1.839,2 10.222,3 4.454,4 19.841,5 94.633,6 8.69,7 0.414,8 3.92,9 4.013,10 3.591,11 3.378,12 5.174,13 3.414,14 4.491,15 4.636,16 4.037,17 3.763,18 6.198,19 3.803,20 4.63,21 4.772,22 4.094,23 3.96,24 5.893,25 3.968,26 4.843,27 5.018,28 4.137,29 4,30 6.168,31 3.996,32 4.934,33 5.141,34 4.103,35 3.915,36 6.604,37 3.894,38 4.651,39 4.862,40 3.744,41 3.77,42 5.758,43 3.709,44 4.706,45 4.958,46 3.7,47 3.64,48 5.936,49 3.62,50 4.517,51 4.746,52 3.594,53 3.387,54 5.899,55 3.424,56 0.306,57 0.822,58 6.641,59 4.247,60 33.04,61 4.456,62 1.2,63 1.614,64 17.201,65 6.815,66 181.811,67 7.331,68 0.728,69 1.526,70 16.687,71 8.408,72 66.016,73 9.437,74 1.11,75 1.769,76 24.033,77 10.055,78 116.102,79 11.521,80 2.075,81 1.616,82 33.557,83 10.477,84 308.161,85 12.725,86 0.97,87 1.355,88 22.638,89 8.802,90 113.543,91 10.773,92 1.299,93 1.427,94 28.583,95 8.396,96 182.694,97 9.81,98 1.151,99 1.095,100 23.72,101 6.448,102 162.883,103 7.159,104 66,105 43,106 0.32,107 0.61,108 0.752,109 0.798,110 0.821,111 0.829,112 3.34,113 0.837,114 -4.65,115 -4.57,116 -4.3,120 40.9,122 1,125 2,126 2,133 1,143 5,144 3,145 4,167 2,174 6,176 1,177 8,185 6,188 1,189 14,197 4,201 8,209 4,213 2,214 1,222 8,226 3,235 6,240 4,247 2,252 10,264 7,274 1032,275 17.591,276 17.591,277 17.591,278 17.591,279 17.591,280 15.901,281 26.856,282 9.894,283 18.34,284 14.165,285 14.165,286 14.165,287 14.165,288 14.165,289 11.382,290 36.912,291 4.486,292 15.253,293 3.62,294 1.949,295 1.134,296 0.87,297 0.733,298 0.688,299 4.015,306 1,307 1,308 573,309 3.873,313 230.317,317 121.278,320 1.638,321 54.123,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 63.5,333 276,334 4.623,335 4.476,336 7.284,337 4.3,338 3.408,339 4.236,340 3.825,341 12.415,342 3.096,343 4.407,344 3.772,345 6.395,346 4.043,347 3.076,348 4.078,349 2.612,350 9.945,351 2.978,352 3.991,353 3.362,354 6.138,355 3.704,356 2.784,357 3.391,358 0.916,359 9.036,360 2.555,361 3.966,362 3.107,363 5.968,364 3.5,365 2.587,366 3.212,367 0.86,368 8.217,369 2.301,370 3.72,371 2.73,372 5.815,373 3.347,374 2.387,375 3.076,376 0.86,377 7.863,378 2.276,379 3.124,380 2.289,381 4.737,382 2.76,383 1.8,384 2.311,385 0.172,386 5.178,387 1.727,388 3.063,389 2.232,390 4.586,391 2.575,392 1.624,393 2.187,395 4.524,396 1.531,397 2.593,398 1.817,399 4.235,400 2.192,401 1.263,402 1.621,404 3.423,405 1.162,406 2.556,407 1.518,408 3.967,409 2.142,410 1.207,411 1.545,413 3.072,414 1.109,415 2.32,416 1.291,417 3.68,418 2.057,419 1.069,420 1.309,422 2.634,423 1.051,424 1.644,425 1.027,426 3.034,427 1.41,428 0.487,429 0.551,431 0.962,432 0.446,433 1.485,434 1,435 2.836,436 1.227,437 0.376,438 0.406,440 0.515,441 0.317,442 1.086,443 0.796,444 2.813,445 0.745,446 -0.212,447 -0.254,449 -0.473,450 -0.201,451 1,452 0.51,453 2.647,454 0.466,455 -0.473,456 -0.56,458 -1.088,459 -0.438,460 0.795,461 0.51,462 2.404,463 0.423,464 -0.538,465 -0.656,467 -1.483,468 -0.515,469 11.99,470 0.444,471 0.932,472 0.035,473 34.25,474 1.269,475 16.5,476 0.611,477 17.75,478 0.657,479 21.899,480 0.811,481 31.21,482 0.709,483 29.828,484 1.105,485 7.147,486 0.265,487 5.593,488 0.207,489 0.21,490 0.042,491 0.359,493 3,496 0.554,497 1.02,498 0.598,499 1.159,500 0.552,501 0.993,502 0.645,503 0.672,504 0.671,505 0.767,506 0.361,507 0.74,508 0.617,509 0.99,510 0.778,511 1.179,512 0.481,513 1.101,514 0.798,515 1.032,516 0.971,517 1.298,518 0.808,519 1.258,520 0.735,521 0.736,522 0.932,523 0.867,524 0.638,525 0.983,526 0.695,527 0.966,528 0.974,529 1.162,530 0.629,531 1.221,532 1.165,533 1.064,534 1.101,535 0.899,536 1.165,537 0.921,538 1.338,539 0.978,540 1.07,541 0.79,542 1.392,543 0.776,544 7.5,545 0.248,546 4,547 2.25,548 2.449,549 1.271,550 0.688,551 0.486,552 0.385,553 0.271,554 7769,555 31679,556 1.963,557 38.6,559 15,564 2,567 1.702,568 1.77,569 3.328,570 -0.659,572 1,575 80.915,576 1.839,577 3.511,578 4.326,579 4.59,580 4.726,581 4.772,582 2.763,583 4.134,584 4.727,585 3.482,586 1222.16,587 8.214,588 15327.3,590 1,592 1,593 240.215,594 1.74,595 4.637,596 0.259,597 0.014,598 0.093,599 0.048,600 0.054,601 0.032,602 0.023,603 0.017,604 0.015,605 0.012,606 0.568,607 0.17,608 1,609 1.089,610 132.564,611 0.045,612 -0.068,613 0.049,614 -0.062,615 -0.045,616 -0.031,617 0.22,618 0.325,619 0.173,620 0.255,621 0.397,622 0.212,623 -0.004,624 -0.124,625 -0.029,626 -0.134,627 0.038,628 -0.105,629 -0.02,630 -0.109,631 -0.101,632 -0.287,633 -0.049,634 -0.261,635 0.237,636 0.134,637 0.1,638 0.088,639 0.303,640 0.024,641 0.024,642 -0.134,643 -0.044,644 -0.154,645 -0.012,646 -0.157,647 -0.175,648 -0.018,649 -0.013,650 0.06,651 -0.156,652 0.114,653 -0.254,654 -0.067,655 0.037,656 0.125,657 -0.219,658 0.213,659 6.053,660 5.224,661 0.593,662 23.745,663 1.046,664 1.15,665 3.421,666 11.706,667 0.648,668 3.401,669 3.784,670 4.043,671 4.304,672 4.585,673 4.654,674 4.796,675 4.898,676 5.075,677 5.106,678 6.124,679 0.654,680 382.37,681 3.401,682 4.977,683 5.838,684 6.746,685 7.631,686 8.538,687 9.431,688 10.337,689 11.232,690 12.137,691 4.5,697 1,702 1,709 5,714 7,716 12,731 1,732 1,735 2,738 44,739 14,740 2,741 29,743 46,744 18,745 12,746 7,747 5,752 3,753 4,759 1,763 1,765 1,766 1,768 12,769 6,772 2,775 1,778 2,786 1,787 3,789 17,790 8,792 9,797 2,803 0.667,804 4,823 3,827 1,855 2,859 2,861 3,862 27,869 3,872 2,875 1,876 1,885 3,886 9.1,891 2,892 2,893 15.25,894 8.662,895 5.889,896 2.418,898 2.45,899 1.33,900 0.955,901 5.315,902 9.865,903 3.638,904 4.263,905 4.8,906 5.341,907 5.89,908 6.107,909 6.395,910 6.565,911 7.017,912 7.327,913 0.857,914 47,915 10.699,917 5.279,918 8.478,919 18.016,921 14.624,924 2.978,925 80.417,928 1,929 200.109,930 109.21,931 8.794,933 72.747,934 44.88,936 109.21,937 272.855,938 53.675,939 27.436,940 6.746,941 47.381,943 95.562,945 200.109,946 58.506,947 200.109,948 118.004,949 117.627,952 176.567,953 90.422,954 50.747,956 14.505,957 97.829,958 5.67,960 244.989,961 81.541,962 109.21,965 207.868,966 32.303,967 77.942,969 117.627,970 200.109,971 126.421,972 109.21,973 0.596,974 0.35,975 0.186,976 0.109,977 21,978 11,979 0.087,980 4,981 1,982 1.125,983 3.632,984 234.89,985 0.125,986 16,987 121.627,993 19.463,994 7.373,995 3.871,997 120.751,998 6.754,1003 1.163,1006 435.74,1007 37,1010 -1.019,1013 21.834,1020 46.003,1021 50.59,1022 0.337,1023 0.643,1024 0.792,1025 0.841,1026 0.866,1027 0.874,1028 4.92,1029 1.263,1030 5.894,1031 4.524,1032 4.466,1033 4.949,1034 3.597,1035 6.788,1036 4.335,1037 6.169,1038 1.207,1039 7.52,1040 3.423,1041 4.369,1042 5.007,1043 4.087,1044 8.011,1045 4.095,1046 7.52,1047 1.069,1048 9.252,1049 3.072,1050 6.196,1051 7.18,1052 5.676,1053 11.038,1054 5.932,1055 8.904,1056 0.487,1057 11.045,1058 2.634,1059 6.847,1060 7.966,1061 6.796,1062 13.014,1063 6.433,1064 10.316,1065 0.376,1066 12.875,1067 0.962,1068 8.24,1069 9.7,1070 8.173,1071 15.65,1072 7.819,1073 11.745,1074 -0.212,1075 14.732,1076 0.515,1077 9.197,1078 10.804,1079 9.446,1080 17.928,1081 8.646,1082 13.19,1083 -0.473,1084 16.608,1085 -0.473,1086 10.445,1087 12.367,1088 10.786,1089 20.455,1090 9.858,1091 3.408,1092 -0.538,1093 18.499,1094 -1.088,1095 11.534,1096 13.626,1097 12.103,1098 22.862,1099 10.836,1100 3.076,1101 12.415,1102 20.402,1103 -1.483,1104 12.737,1105 15.115,1106 13.44,1107 25.364,1108 11.981,1109 2.784,1110 9.945,1111 22.316,1112 4.236,1113 13.885,1114 16.453,1115 14.772,1116 27.828,1117 13.029,1118 2.587,1119 9.036,1120 24.239,1121 4.078,1122 15.077,1123 17.909,1124 16.11,1125 30.329,1126 14.149,1127 2.387,1128 8.217,1129 26.17,1130 3.391,1131 16.254,1132 19.289,1133 17.448,1134 32.82,1135 15.231,1136 1.8,1137 7.863,1138 28.108,1139 3.212,1140 17.449,1141 20.73,1142 18.788,1143 35.326,1144 16.344,1145 1.624,1146 5.178,1147 30.052,1148 3.076,1149 18.64,1150 22.133,1151 20.128,1152 37.829,1153 17.442,1154 7808,1155 16008,1156 18.205,1157 28.495,1158 44.36,1159 44.838,1160 46.438,1161 44.251,1162 44.14,1163 55.844,1164 18.493,1165 135.568,1166 41.1,1167 5.568,1168 6.476,1169 6.826,1170 5.337,1171 5.408,1172 7.236,1173 5.825,1174 20.064,1175 5.096,1176 17.734,1177 1.53,1178 1.546,1179 1.601,1180 1.526,1181 1.522,1182 1.926,1183 0.638,1184 4.675,1185 1.417,1186 4.066,1187 4.095,1188 4.031,1189 3.96,1190 8.513,1191 3.968,1192 3.947,1193 3.966,1194 3.914,1195 3.84,1196 7.999,1197 3.851,1198 3.583,1199 3.619,1200 3.539,1201 3.337,1202 7.999,1203 3.363,1204 3.444,1205 3.473,1206 3.43,1207 3.053,1208 7.815,1209 3.113,1210 3.299,1211 3.347,1212 3.249,1213 2.989,1214 6.999,1215 3.061,1216 3.253,1217 3.317,1218 3.069,1219 2.982,1220 4.926,1221 2.996,1222 3.133,1223 3.218,1224 2.919,1225 2.899,1226 4.654,1227 2.891,1228 3.037,1229 3.119,1230 2.85,1231 2.807,1232 4.495,1233 2.808,1234 0.159,1235 0.154,1236 0.251,1237 0.148,1238 0.118,1239 4.623,1240 0.146,1241 4.476,1242 0.132,1243 7.284,1244 0.428,1245 4.3,1246 0.107,1247 3.408,1248 4.236,1249 3.825,1250 12.415,1251 3.096,1252 1.995,1253 1.97,1254 2.094,1255 2.129,1256 1.358,1257 2.111,1258 1.892,1259 1.875,1260 1.965,1261 2.038,1262 1.108,1263 2.007,1264 1.47,1265 1.425,1266 1.682,1267 1.75,1268 0.86,1269 1.71,1270 1.213,1271 1.162,1272 1.577,1273 1.614,1274 0.672,1275 1.542,1276 1.182,1277 1.124,1278 1.507,1279 1.526,1280 0.573,1281 1.525,1282 1.136,1283 1.055,1284 1.401,1285 1.442,1286 0.548,1287 1.431,1288 1.089,1289 1.049,1290 1.205,1291 1.38,1292 0.267,1293 1.358,1294 1.012,1295 0.938,1296 1.191,1297 1.266,1298 0.206,1299 1.28,1300 4.078,1302 5.442,1304 7.006,1306 8.659,1308 10.359,1310 3.047,1312 39.671,1315 1.455,1318 10.557,1321 1.757,1322 -4.803,1326 28.793,1327 80.915,1328 154.466,1329 190.341,1330 201.95,1331 207.95,1332 209.95,1333 72.992,1334 7.415,1335 67.52,1336 67.52,1337 18,1338 12.658,1339 3.907,1340 3.17,1341 46.945,1342 100,1343 97,1344 0.237,1345 173.929,1346 317.97,1347 416.146,1348 14859,1349 6.8,1350 19.767,1351 0.732,1352 0.543,1353 17.267,1354 14.669,1355 12.74,1356 0.439,1357 0.279,1358 7.855,1359 11.793,1360 7.691,1361 6.325,1362 11.528,1363 8.086,1364 12.355,1365 0.287,1366 0.142,1367 10.36,1368 6.104,1369 9.686,1370 0.173,1371 0.082,1372 8.906,1373 4.565,1374 8.001,1375 0.11,1376 0.044,1377 7.433,1378 3.211,1379 6.907,1380 0.071,1381 0.024,1382 5.828,1383 2.345,1384 0.367,1385 83.393,1386 0.234,1387 25.526,1388 0.665,1389 144,1390 696.566,1391 175.365,1392 573.382,1393 734.27,1394 528,1395 171,1396 508.273,1397 196.55,1398 489.288,1399 730,1400 453,1401 4.366}
{0 CHEMBL1336833,1 1.256,2 7.389,3 4.717,4 22.246,5 84.325,6 5.636,8 3.877,9 4.042,10 3.18,11 3.369,12 4.636,13 3.251,14 4.512,15 4.764,16 3.519,17 3.771,18 5.165,19 3.607,20 4.839,21 5.129,22 3.56,23 3.97,24 5.459,25 3.732,26 4.939,27 5.284,28 3.596,29 3.956,30 5.518,31 3.695,32 4.645,33 4.892,34 3.72,35 3.959,36 5.442,37 3.715,38 4.802,39 5.08,40 3.393,41 3.987,42 5.511,43 3.701,44 4.792,45 5.098,46 3.076,47 3.886,48 5.316,49 3.607,50 4.878,51 5.239,52 2.807,53 3.79,54 5.287,55 3.459,56 0.069,57 0.656,58 12.595,59 4.849,60 5.929,61 7.155,62 0.193,63 1.06,64 23.107,65 7.617,66 13.067,67 11.73,68 0.195,69 1.328,70 30.874,71 10.665,72 17.286,73 15.305,74 0.269,75 1.345,76 35.969,77 10.997,78 20.481,79 15.236,80 0.182,81 1.242,82 32.434,83 10.952,84 24.483,85 13.923,86 0.227,87 1.313,88 37.389,89 12.211,90 25.296,91 15.385,92 0.124,93 1.159,94 26.309,95 10.918,96 14.092,97 15.152,98 0.124,99 1.091,100 25.765,101 10.7,102 13.163,103 14.987,104 37,105 23,106 0.224,107 0.384,108 0.605,109 0.651,110 0.672,111 0.672,112 2.959,113 1.325,114 -4.48,115 -4.4,116 -4.15,120 31.3,121 4,122 5,123 2,126 2,128 1,160 1,174 8,177 2,180 1,182 2,185 6,189 4,194 2,197 2,201 2,206 3,209 1,214 2,219 4,222 4,227 1,235 8,247 12,260 10,271 4,274 404,275 11.483,276 11.483,277 11.483,278 11.483,279 11.483,280 11.353,281 12.287,282 7.125,283 11.708,284 8.911,285 8.911,286 8.911,287 8.911,288 8.911,289 8.648,290 15.649,291 3.432,292 9.323,293 4.329,294 3.427,295 2.187,296 1.928,297 1.813,298 1.813,299 3.585,307 1,308 257,309 3.937,313 69.539,320 1.167,321 8.861,324 1,325 1,326 1,327 0.8,328 1,329 1,330 1,331 0.97,332 37,333 133,334 4,335 3.892,336 6.092,337 3.774,338 2.866,339 3.145,340 1.803,341 8.872,342 2.612,343 3.473,344 2.621,345 5.343,346 3.446,347 2.473,348 2.473,349 0.566,350 6.971,351 2.404,352 3.127,353 2.521,354 4.64,355 3.111,356 2.115,357 2.138,358 0.076,359 5.051,360 2.107,361 3.115,362 2.132,363 4.618,364 2.952,365 2,366 2.115,368 4.94,369 1.886,370 2.463,371 1.65,372 3.782,373 2.444,374 1.463,375 1.463,377 3.189,378 1.433,379 2.197,380 1.528,381 3.471,382 2,383 1,384 1.102,386 2.462,387 1,388 2,389 1,390 3.247,391 1.9,392 1,393 1,395 2.136,396 0.889,397 1,398 0.514,399 2.55,400 0.703,401 -0.211,402 -0.23,404 -0.505,405 -0.188,406 0.746,407 -0.056,408 2.382,409 0.701,410 -0.254,411 -0.254,413 -0.661,414 -0.242,415 0.253,416 -0.407,417 1.762,419 -1,420 -1,422 -2,423 -0.863,425 -0.881,426 1.555,428 -1,429 -1,431 -2,432 -0.972,434 -1,435 1.288,437 -1,438 -1,440 -2.249,441 -1,443 -1,444 1.186,445 -0.024,446 -1,447 -1,449 -2.347,450 -1,452 -1,453 1,454 -0.115,455 -1,456 -1.198,458 -2.722,459 -1,460 -0.576,461 -1.396,462 1,463 -0.761,464 -1.655,465 -1.861,467 -4.674,468 -1.519,469 9.133,470 0.507,471 0.514,472 0.029,473 11.25,474 0.625,475 1,476 0.056,477 10.25,478 0.569,479 23.837,480 1.324,481 22.667,482 0.472,483 4.415,484 0.245,485 1.194,486 0.066,487 7.292,488 0.405,489 0.31,491 0.263,496 1.134,497 1.572,498 0.96,499 1.22,500 1.034,501 1.335,502 1.068,503 1.266,504 0.856,505 1.054,506 0.532,507 1.132,508 1.218,509 1.269,510 0.966,511 1.071,512 1.002,513 1.154,514 1.79,515 0.67,516 1.029,517 0.723,518 1.281,519 0.664,520 1.538,521 1.319,522 1.619,523 1.415,524 1.745,525 1.228,526 1.908,527 1.194,528 2.125,529 1.649,530 2.479,531 1.271,532 0.55,533 1.088,534 0.922,535 1.094,536 0.78,537 1.2,538 0.279,539 0.815,540 0.575,541 0.772,542 0.367,543 0.901,544 4.5,546 1.333,547 1.063,548 1.111,549 0.451,550 0.286,551 0.212,552 0.107,553 0.063,554 2368,555 3531,556 1.846,557 62.5,558 18,559 5,562 1,564 6,567 1.591,568 1.688,569 2.905,570 -0.334,575 60.268,576 1.256,577 2.158,578 3.398,579 3.657,580 3.772,581 3.772,582 2.261,583 2.795,584 4.142,585 3.054,586 467.311,587 7.052,588 4598.08,593 268.078,594 1.547,595 4.065,596 0.25,598 0.058,599 0.051,600 0.051,601 0.02,602 0.016,603 0.015,604 0.011,605 0.016,606 0.486,607 0.67,608 1,609 2.144,610 76.728,611 0.072,612 -0.196,613 0.014,614 -0.071,615 -0.124,616 -0.046,617 0.25,618 -0.109,619 0.057,620 -0.068,621 0.243,622 -0.04,623 -0.002,624 -0.217,625 -0.029,626 -0.111,627 -0.062,628 -0.139,629 -0.125,630 0.3,631 0.118,632 0.244,633 -0.027,634 0.228,635 -0.097,636 -0.067,637 -0.039,638 -0.035,639 0.094,640 -0.076,641 -0.4,642 0.002,643 -0.411,644 -0.237,645 -0.416,646 -0.179,647 -0.081,648 -0.133,649 -0.154,650 -0.169,651 -0.123,652 -0.184,653 0.062,654 -0.028,655 0.029,656 -0.003,657 0.053,658 -0.007,659 0.715,660 1.941,661 0.333,662 12.099,663 0.972,664 1.14,665 3.247,666 10.541,667 0.611,668 2.944,669 3.178,670 3.219,671 3.401,672 3.497,673 3.219,674 3.135,675 3.045,676 2.833,677 2.565,678 4.799,679 0.533,680 270.54,681 2.944,682 4.419,683 5.176,684 6.004,685 6.79,686 7.619,687 8.418,688 9.246,689 10.052,690 10.879,691 4.2,698 2,738 48,739 1,741 18,743 48,744 15,752 1,753 1,757 1,759 4,763 6,766 6,768 1,769 14,770 2,772 1,779 1,782 1,789 30,790 2,791 1,792 3,793 1,797 2,803 1,823 1,855 1,857 1,859 4,862 18,869 7,871 1,874 3,875 1,893 10.667,894 9.367,895 4.111,896 3.438,898 0.085,899 1.015,900 0.879,901 7.353,902 5.595,903 2.996,904 3.258,905 3.332,906 3.526,907 3.664,908 3.296,909 3.219,910 3.135,911 2.833,912 2.565,913 0.8,914 21,915 6.72,917 2.588,918 7.296,919 13.778,921 11.089,924 1.796,925 32.333,926 0.007,929 341.362,930 97.661,931 21.135,935 45.192,936 52.469,937 341.362,938 21.135,939 35.301,940 38.019,944 0.285,945 341.362,946 45.192,947 341.362,948 73.604,950 45.192,952 270.735,953 70.627,956 73.32,957 0.285,959 45.192,960 341.362,961 21.135,962 97.661,965 341.362,966 17.169,967 38.425,968 18.011,969 45.192,970 341.362,971 21.135,972 97.661,973 0.561,974 0.278,975 0.154,976 0.092,977 8,978 5,979 0.104,980 5,982 1,983 2.946,984 111.698,986 6,987 59.059,990 1,993 16.069,994 8.237,995 6.676,997 21.135,1005 18.011,1006 460.158,1007 19,1014 5.608,1017 0.976,1020 46.65,1021 54.729,1022 0.225,1023 0.386,1024 0.608,1025 0.655,1026 0.675,1027 0.675,1028 4.22,1029 -0.211,1030 5.142,1031 2.136,1032 3.85,1033 3.932,1034 1.957,1035 5.826,1036 3.757,1037 5.298,1038 -0.254,1039 6.627,1040 -0.505,1041 3.434,1042 3.611,1043 1.404,1044 6.503,1045 3.265,1046 6.51,1047 -1,1048 8.208,1049 -0.661,1050 5.313,1051 5.509,1052 2.74,1053 9.512,1054 5.104,1055 7.738,1056 -1,1057 9.845,1058 -2,1059 5.602,1060 5.943,1061 2.71,1062 10.98,1063 5.28,1064 9,1065 -1,1066 11.517,1067 -2,1068 7.033,1069 7.388,1070 3.745,1071 13.52,1072 6.681,1073 10.281,1074 -1,1075 13.216,1076 -2.249,1077 7.67,1078 8.188,1079 3.981,1080 15.354,1081 7.183,1082 11.579,1083 -1,1084 14.934,1085 -2.347,1086 8.894,1087 9.446,1088 4.834,1089 17.695,1090 8.375,1091 2.866,1092 -1.655,1093 16.669,1094 -2.722,1095 9.72,1096 10.429,1097 5.219,1098 19.707,1099 9.058,1100 2.473,1101 8.872,1102 18.415,1103 -4.674,1104 10.844,1105 11.611,1106 5.963,1107 21.959,1108 10.138,1109 2.115,1110 6.971,1111 20.171,1112 3.145,1113 11.772,1114 12.681,1115 6.433,1116 24.056,1117 10.927,1118 2,1119 5.051,1120 21.936,1121 2.473,1122 12.85,1123 13.835,1124 7.113,1125 26.269,1126 11.946,1127 1.463,1128 4.94,1129 23.707,1130 2.138,1131 13.833,1132 14.945,1133 7.634,1134 28.409,1135 12.798,1136 1,1137 3.189,1138 25.484,1139 2.115,1140 14.891,1141 16.09,1142 8.276,1143 30.604,1144 13.784,1145 1,1146 2.462,1147 27.265,1148 1.463,1149 15.904,1150 17.219,1151 8.825,1152 32.764,1153 14.674,1154 2582,1155 3226,1156 11.038,1157 29.319,1158 25.971,1159 27.448,1160 26.608,1161 25.876,1162 25.833,1163 26.872,1164 4.891,1165 67.241,1166 24.661,1167 5,1168 5.892,1169 5.894,1170 4.791,1171 4.866,1172 5.145,1173 3.18,1174 15.157,1175 4.612,1176 11.158,1177 1.443,1178 1.525,1179 1.478,1180 1.438,1181 1.435,1182 1.493,1183 0.272,1184 3.736,1185 1.37,1186 3.905,1187 3.968,1188 3.97,1189 3.779,1190 4.828,1191 3.763,1192 3.784,1193 3.85,1194 3.671,1195 3.652,1196 4.272,1197 3.636,1198 3.615,1199 3.689,1200 3.521,1201 3.485,1202 4.247,1203 3.462,1204 3.388,1205 3.456,1206 3.428,1207 3.304,1208 4.172,1209 3.23,1210 3.111,1211 3.206,1212 2.933,1213 2.941,1214 3.663,1215 2.91,1216 3.098,1217 3.196,1218 2.866,1219 2.916,1220 3.591,1221 2.887,1222 2.874,1223 3.009,1224 2.782,1225 2.665,1226 3.474,1227 2.58,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 0.222,1235 0.216,1236 0.338,1237 0.21,1238 0.159,1239 4,1240 0.175,1241 3.892,1242 0.1,1243 6.092,1244 0.493,1245 3.774,1246 0.145,1247 2.866,1248 3.145,1249 1.803,1250 8.872,1251 2.612,1252 1.875,1253 1.819,1254 2.093,1255 2.033,1256 1.476,1257 2.057,1258 1.779,1259 1.716,1260 2.012,1261 1.955,1262 1.3,1263 1.98,1264 1.649,1265 1.579,1266 1.933,1267 1.823,1268 1.178,1269 1.865,1270 1.339,1271 1.282,1272 1.544,1273 1.555,1274 0.826,1275 1.577,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.825,1281 1.429,1282 1.104,1283 1.015,1284 1.441,1285 1.358,1286 0.649,1287 1.394,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 3.611,1302 4.86,1304 6.271,1306 7.76,1308 9.293,1310 9.042,1315 8.818,1317 3.587,1320 1.942,1321 2.36,1326 25.605,1327 60.268,1328 103.587,1329 163.084,1330 175.549,1331 181.059,1332 181.059,1333 37.844,1334 5.509,1335 15.27,1336 47.36,1337 6,1338 11.459,1339 1,1340 1,1341 41.481,1342 50,1343 46,1344 0.407,1345 169.054,1346 293.57,1347 404.252,1348 1222,1350 13.544,1351 0.752,1352 0.742,1353 14.044,1354 13.354,1355 8.486,1356 0.471,1357 0.442,1358 7.53,1359 8.092,1360 7.121,1361 6.125,1362 8.775,1363 7.95,1364 7.736,1365 0.336,1366 0.298,1367 8.107,1368 6.864,1369 4.783,1370 0.199,1371 0.157,1372 5.136,1373 3.767,1374 3.913,1375 0.135,1376 0.102,1377 4.216,1378 2.95,1379 3.052,1380 0.095,1381 0.069,1382 3.442,1383 2.21,1384 0.621,1385 54.786,1386 0.301,1387 18.151,1388 1.165,1389 82,1390 140.838,1391 100.448,1392 164.166,1393 216.72,1394 152,1395 88,1396 142.16,1397 103.017,1398 155.676,1399 222.53,1400 144,1401 4.768}
{0 CHEMBL1337226,1 1.877,2 12.174,3 3.679,4 13.537,5 94.713,6 9.981,7 0.5,8 3.7,9 3.792,10 3.549,11 3.375,12 4.899,13 3.317,14 4.169,15 4.287,16 3.879,17 3.728,18 5.416,19 3.627,20 4.375,21 4.523,22 3.989,23 3.786,24 5.717,25 3.676,26 4.295,27 4.483,28 3.684,29 3.717,30 5.4,31 3.575,32 4.252,33 4.413,34 3.77,35 3.666,36 5.501,37 3.562,38 4.277,39 4.47,40 3.624,41 3.628,42 5.394,43 3.447,44 4.009,45 4.236,46 3.486,47 3.326,48 5.01,49 3.148,50 3.625,51 3.781,52 3.499,53 3.117,54 4.758,55 2.97,56 0.084,57 0.491,58 4.149,59 3.081,60 8.979,61 3.444,62 0.266,63 0.749,64 13.714,65 5.747,66 26.97,67 6.441,68 0.566,69 0.949,70 20.398,71 7.511,72 68.277,73 6.837,74 0.265,75 0.852,76 21.636,77 7.78,78 24.062,79 8.72,80 0.264,81 0.762,82 13.209,83 6.323,84 33.556,85 7.426,86 0.349,87 0.747,88 23.433,89 7.817,90 45.214,91 8.775,92 0.267,93 0.599,94 21.114,95 6.271,96 28.424,97 7.248,98 0.154,99 0.469,100 18.136,101 4.381,102 11.217,103 3.832,104 29,105 31,106 0.34,107 0.591,108 0.63,109 0.669,110 0.669,111 0.669,112 3.186,113 1.073,114 -4.81,115 -4.72,116 -4.44,120 43.2,126 2,143 8,145 4,159 2,174 4,180 2,182 4,185 8,189 2,194 6,197 8,201 4,209 4,214 4,219 2,222 12,235 8,240 2,245 4,257 4,260 2,264 4,274 768,275 15.48,276 15.48,277 15.48,278 15.48,279 15.48,280 13.724,281 19.36,282 9.29,283 15.855,284 11.72,285 11.72,286 11.72,287 11.72,288 11.72,289 8.974,290 22.696,291 4.326,292 12.436,293 3.333,294 1.946,295 1.73,296 1.514,297 1.514,298 1.514,299 3.851,300 2,305 1,306 1,307 1,308 568,309 3.606,313 172.239,320 2.11,321 22.867,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49.667,333 280,334 4.13,335 4.553,336 5.66,337 3.71,338 2.772,339 3.722,340 2.95,341 7.905,342 2.607,343 4.011,344 3.629,345 5.515,346 3.621,347 2.649,348 3.583,349 2.092,350 7.468,351 2.564,352 3.741,353 3.628,354 5.376,355 3.393,356 2.458,357 3.008,358 2.092,359 7.09,360 2.269,361 3.597,362 3.122,363 5.011,364 3.204,365 2.221,366 2.843,367 0.466,368 6.006,369 2.157,370 3.36,371 2.507,372 4.732,373 2.949,374 1.98,375 2.568,376 0.466,377 5.194,378 1.877,379 3.193,380 2.444,381 4.662,382 2.761,383 1.798,384 2.41,386 4.991,387 1.709,388 2.5,389 1.9,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1.899,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 1.656,407 1.138,408 3.077,409 1.319,410 0.506,411 0.554,413 1.047,414 0.369,415 1.519,416 1,417 2.848,418 1.133,419 0.412,420 0.437,422 0.636,423 0.239,424 1.469,425 1,426 2.662,427 0.947,428 0.202,429 0.238,431 0.325,432 0.126,433 1.292,434 0.855,435 2,436 0.793,437 -0.113,438 -0.145,440 -0.228,441 -0.094,442 0.888,443 0.416,444 2,445 0.482,446 -0.476,447 -0.603,449 -1.247,450 -0.429,451 0.596,452 0.295,453 2,454 0.158,455 -0.835,456 -1.099,458 -2.013,459 -0.788,460 0.5,461 -0.29,462 1.866,464 -1,465 -1.5,467 -2.743,468 -1,469 11.729,470 0.51,471 0.485,472 0.021,473 30.5,474 1.326,475 16.5,476 0.717,477 14,478 0.609,479 16.268,480 0.707,481 24.271,482 0.656,483 20.798,484 0.904,485 5.989,486 0.26,487 5.112,488 0.222,489 0.179,491 0.256,496 0.646,497 1.065,498 0.575,499 0.736,500 0.558,501 0.761,502 0.724,503 1.128,504 0.997,505 1.036,506 0.676,507 1.041,508 0.981,509 0.986,510 0.991,511 1.116,512 1.089,513 1.022,514 0.668,515 0.998,516 0.956,517 1.123,518 0.549,519 1.036,520 0.847,521 1.076,522 0.639,523 0.905,524 1.013,525 1.013,526 0.987,527 0.995,528 1.168,529 1.103,530 0.986,531 1.15,532 0.647,533 0.999,534 1.012,535 1.077,536 0.529,537 0.95,538 0.786,539 1.408,540 0.93,541 1.312,542 0.596,543 1.01,544 5.5,545 0.074,546 1.778,547 1,548 1.084,549 0.361,550 0.524,551 0.229,552 0.148,553 0.151,554 5956,555 25560,556 1.971,557 37.8,559 12,562 2,567 1.649,568 1.84,569 3.567,570 0.364,572 1,575 69.447,576 1.877,577 3.264,578 3.48,579 3.696,580 3.696,581 3.696,582 3.045,583 3.219,584 4.488,585 3.719,586 940.913,587 7.688,588 11439.9,589 1,590 1,591 1,592 1,593 192.75,594 1.41,595 4.449,596 0.229,597 0.005,598 0.057,599 0.033,600 0.042,601 0.014,602 0.026,603 0.014,604 0.01,605 0.009,606 0.44,607 0.17,608 1,609 1.555,610 111.288,611 -0.073,612 0.027,613 0.005,614 0.069,615 -0.064,616 0.044,617 0.029,618 -0.089,619 -0.142,620 -0.112,621 -0.024,622 -0.155,623 0.007,624 0.14,625 -0.109,626 -0.064,627 -0.032,628 -0.114,629 -0.027,630 0.007,631 -0.09,632 -0.087,633 0.048,634 -0.014,635 -0.026,636 -0.17,637 0.067,638 -0.034,639 -0.049,640 -0.053,641 -0.118,642 -0.1,643 -0.119,644 -0.067,645 -0.13,646 -0.09,647 0.1,648 -0.059,649 0.125,650 0.03,651 0.059,652 0.174,653 -0.042,654 -0.196,655 0.154,656 -0.068,657 -0.002,658 -0.035,659 1.901,660 4.201,661 0.522,662 25.747,663 1.021,664 1.112,665 3.583,666 12.838,667 0.746,668 3.219,669 3.466,670 3.611,671 3.761,672 3.97,673 3.892,674 4.043,675 4.111,676 4.043,677 4.043,678 6.975,679 0.703,680 369.29,681 3.219,682 4.71,683 5.501,684 6.33,685 7.14,686 7.971,687 8.79,688 9.623,689 10.445,690 11.279,691 5.4,698 2,709 8,714 4,716 12,738 37,739 14,740 2,741 24,743 38,744 16,745 12,746 4,747 8,750 2,752 2,753 2,754 2,759 2,768 14,769 2,772 2,778 2,782 2,785 1,786 1,789 14,790 4,791 2,792 7,793 3,797 2,803 1,804 2,823 2,838 2,855 2,856 1,857 1,860 2,862 23,869 2,871 2,873 1,885 2,886 5.4,889 2,893 12.5,894 6.452,895 5.333,896 1.921,898 2.377,899 1.363,900 0.959,901 7.083,902 8.924,903 3.497,904 4.007,905 4.425,906 4.911,907 5.452,908 5.479,909 5.864,910 6.205,911 6.383,912 6.69,913 1,914 30,915 8.431,917 3.437,918 8.024,919 15.683,921 12.141,924 2.524,925 58.056,929 141.253,930 131.753,931 36.022,932 78.297,933 50.29,935 32.22,936 99.533,937 269.84,938 36.022,940 41.721,941 75.81,942 59.699,943 8.615,945 251.77,947 141.253,948 135.555,949 50.29,950 110.517,952 141.253,953 50.29,956 41.721,957 93.834,958 78.297,959 32.22,960 141.253,961 86.311,962 210.05,965 141.253,966 55.943,967 75.81,968 36.022,969 128.587,970 141.253,971 86.311,972 210.05,973 0.562,974 0.312,975 0.148,976 0.085,977 12,978 6,979 0.105,980 4,982 1,983 3.617,984 161.656,986 12,987 74.042,989 1,993 17.982,994 9.06,995 5.974,997 86.311,998 14.943,1003 3.483,1005 36.022,1006 437.615,1007 32,1013 22.402,1017 -0.469,1020 37.767,1021 41.13,1022 0.36,1023 0.626,1024 0.668,1025 0.709,1026 0.709,1027 0.709,1028 4.682,1029 1,1030 5.451,1031 2.275,1032 4.143,1033 4.691,1034 3.548,1035 6.138,1036 4.031,1037 5.857,1038 0.506,1039 6.936,1040 2.275,1041 3.611,1042 4.369,1043 2.179,1044 6.763,1045 3.501,1046 7.127,1047 0.412,1048 8.505,1049 1.047,1050 5.631,1051 6.756,1052 5.336,1053 9.727,1054 5.42,1055 8.425,1056 0.202,1057 10.118,1058 0.636,1059 5.832,1060 7.13,1061 3.995,1062 11.062,1063 5.581,1064 9.745,1065 -0.113,1066 11.757,1067 0.325,1068 7.323,1069 9.042,1070 7.334,1071 13.525,1072 7.016,1073 11.078,1074 -0.476,1075 13.411,1076 -0.228,1077 7.876,1078 9.75,1079 5.633,1080 15.189,1081 7.505,1082 12.422,1083 -0.835,1084 15.077,1085 -1.247,1086 9.126,1087 11.443,1088 9.42,1089 17.435,1090 8.721,1091 2.772,1092 -1,1093 16.75,1094 -2.013,1095 9.871,1096 12.349,1097 7.199,1098 19.274,1099 9.393,1100 2.649,1101 7.905,1102 18.43,1103 -2.743,1104 10.998,1105 13.912,1106 11.546,1107 21.415,1108 10.492,1109 2.458,1110 7.468,1111 20.114,1112 3.722,1113 11.853,1114 14.948,1115 8.728,1116 23.348,1117 11.271,1118 2.221,1119 7.09,1120 21.803,1121 3.583,1122 12.916,1123 16.427,1124 13.692,1125 25.437,1126 12.305,1127 1.98,1128 6.006,1129 23.494,1130 3.008,1131 13.833,1132 17.549,1133 10.237,1134 27.422,1135 13.15,1136 1.798,1137 5.194,1138 25.189,1139 2.843,1140 14.864,1141 18.97,1142 15.847,1143 29.486,1144 14.146,1145 1,1146 4.991,1147 26.886,1148 2.568,1149 15.817,1150 20.152,1151 11.733,1152 31.499,1153 15.031,1154 6090,1155 12696,1156 15.603,1157 27.614,1158 34.018,1159 38.568,1160 35.909,1161 33.722,1162 33.991,1163 44.728,1164 16.134,1165 90.424,1166 31.835,1167 4.945,1168 6.553,1169 5.211,1170 4.831,1171 4.772,1172 6.722,1173 5.9,1174 13.516,1175 4.607,1176 12.838,1177 1.417,1178 1.607,1179 1.496,1180 1.405,1181 1.416,1182 1.864,1183 0.672,1184 3.768,1185 1.326,1186 3.96,1187 3.984,1188 4.087,1189 3.933,1190 7.431,1191 3.902,1192 3.854,1193 3.887,1194 3.853,1195 3.774,1196 7.427,1197 3.773,1198 3.55,1199 3.573,1200 3.812,1201 3.372,1202 4.79,1203 3.374,1204 3.511,1205 3.536,1206 3.711,1207 3.327,1208 4.7,1209 3.335,1210 3.003,1211 3.041,1212 3.374,1213 2.991,1214 4.655,1215 2.913,1216 2.854,1217 2.925,1218 3.075,1219 2.735,1220 4.639,1221 2.715,1222 2.854,1223 2.925,1224 2.944,1225 2.735,1226 3.942,1227 2.715,1228 2.834,1229 2.911,1230 2.687,1231 2.661,1232 3.795,1233 2.655,1234 0.172,1235 0.19,1236 0.236,1237 0.155,1238 0.115,1239 4.13,1240 0.155,1241 4.553,1242 0.123,1243 5.66,1244 0.329,1245 3.71,1246 0.109,1247 2.772,1248 3.722,1249 2.95,1250 7.905,1251 2.607,1252 1.925,1253 1.907,1254 1.993,1255 1.998,1256 1.128,1257 2.012,1258 1.84,1259 1.811,1260 1.95,1261 1.949,1262 1.037,1263 1.95,1264 1.437,1265 1.408,1266 1.564,1267 1.658,1268 0.74,1269 1.651,1270 1.413,1271 1.383,1272 1.556,1273 1.633,1274 0.73,1275 1.627,1276 0.963,1277 0.94,1278 1.181,1279 1.109,1280 0.283,1281 1.147,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.085,1291 1.062,1292 0.218,1293 1.107,1294 0.783,1295 0.717,1296 1.03,1297 1.039,1298 0.113,1299 1.06,1300 3.892,1302 5.153,1304 6.597,1306 8.116,1308 9.675,1311 10.889,1315 -0.133,1317 5.365,1319 1.577,1326 26.002,1327 69.447,1328 120.75,1329 128.75,1330 136.75,1331 136.75,1332 136.75,1333 45.593,1334 6.547,1335 58.2,1336 83.5,1337 12,1338 11.852,1339 3.907,1340 3.17,1341 45.756,1342 96,1343 90,1344 0.235,1345 175.42,1346 306.23,1347 419.784,1348 5510,1349 5.4,1350 16.656,1351 0.724,1352 0.624,1353 18.01,1354 14.342,1355 11.101,1356 0.463,1357 0.358,1358 6.796,1359 9.717,1360 6.455,1361 5.336,1362 12.216,1363 8.586,1364 9.507,1365 0.307,1366 0.2,1367 10.611,1368 6.196,1369 7.465,1370 0.207,1371 0.118,1372 8.903,1373 4.256,1374 5.349,1375 0.127,1376 0.064,1377 6.222,1378 2.688,1379 4.487,1380 0.086,1381 0.039,1382 5.526,1383 2.046,1384 0.382,1385 80.437,1386 0.253,1387 23.332,1388 0.605,1389 110,1390 381.404,1391 167.391,1392 444.65,1393 564.82,1394 414,1395 122,1396 327.385,1397 166.59,1398 360.21,1399 517.8,1400 336,1401 5.434}
{0 CHEMBL1337518,1 1.702,2 11.719,3 1.793,4 3.216,5 120.386,6 7.677,7 0.324,8 4.183,9 4.296,10 3.797,11 3.676,12 5.282,13 3.649,14 4.74,15 4.913,16 4.142,17 4.026,18 5.825,19 3.979,20 4.981,21 5.19,22 4.079,23 4.108,24 6.061,25 4.042,26 4.988,27 5.209,28 4.104,29 4.114,30 6.105,31 4.042,32 4.997,33 5.221,34 4.132,35 4.114,36 6.279,37 4.042,38 4.979,39 5.188,40 4.085,41 4.089,42 6.145,43 4.03,44 4.977,45 5.165,46 4.146,47 4.07,48 6.234,49 4.027,50 5.004,51 5.227,52 4.134,53 4.092,54 6.214,55 4.025,56 0.089,57 0.879,58 12.804,59 5.671,60 10.506,61 7.099,62 0.477,63 1.365,64 27.102,65 8.999,66 40.433,67 12.009,68 0.824,69 1.539,70 35.973,71 10.985,72 79.688,73 14.559,74 0.698,75 1.539,76 35.611,77 11.225,78 80.102,79 15.29,80 0.891,81 1.55,82 36.804,83 11.543,84 126.378,85 15.772,86 0.728,87 1.509,88 35.884,89 11.025,90 90.274,91 14.562,92 0.988,93 1.486,94 35.195,95 10.37,96 114.134,97 13.708,98 0.953,99 1.517,100 36.476,101 11.302,102 117.324,103 15.295,104 32,105 45,106 0.277,107 0.609,108 0.807,109 0.844,110 0.86,111 0.866,112 3.502,113 1.011,114 -2.73,115 -2.75,116 -2.67,120 36.7,121 2,122 3,123 1,126 4,143 3,145 3,146 1,152 1,159 3,163 1,174 5,176 1,177 8,180 3,182 3,185 4,188 2,189 7,192 1,194 2,197 1,200 2,201 6,206 2,209 3,213 4,214 7,217 3,219 3,222 4,226 1,227 6,232 2,235 1,239 4,240 9,243 1,245 2,247 3,251 2,252 3,255 3,256 1,257 1,260 5,263 1,264 5,267 1,271 10,274 2308,275 21.344,276 21.344,277 21.344,278 21.344,279 21.344,280 19.584,281 28.081,282 12.976,283 22.047,284 16.809,285 16.809,286 16.809,287 16.809,288 16.809,289 13.968,290 36.54,291 6.224,292 17.911,293 4.205,294 2.169,295 0.95,296 0.725,297 0.625,298 0.592,299 4.182,306 1,307 1,308 784,309 4.899,312 112.694,313 201.816,317 171.151,320 1.799,321 44.997,324 1,325 0.5,326 0.83,327 1,328 1,329 1,330 1,331 0.9,332 71,333 375,334 4.349,335 3.804,336 6.493,337 4.015,338 3.062,339 3.953,340 1.99,341 10.145,342 2.916,343 4.033,344 3.593,345 6.123,346 3.724,347 2.782,348 3.509,349 1.907,350 8.966,351 2.618,352 3.974,353 3.523,354 5.494,355 3.54,356 2.634,357 3.293,358 1.907,359 7.414,360 2.436,361 3.603,362 3.247,363 5.074,364 3.319,365 2.325,366 2.784,367 0.86,368 6.066,369 2.296,370 3.535,371 2.625,372 5.014,373 3.167,374 2.186,375 2.753,376 0.86,377 5.849,378 2.161,379 3.323,380 2.557,381 4.787,382 3.118,383 2.139,384 2.525,385 0.592,386 5.309,387 2.01,388 3.205,389 2.237,390 4.641,391 2.914,392 1.918,393 2.207,394 0.149,395 5.126,396 1.875,397 2.923,398 2.182,399 4.418,400 2.53,401 1.618,402 2.061,403 0.149,404 4.361,405 1.469,406 2.58,407 1.868,408 3.833,409 2.336,410 1.416,411 1.601,413 3.086,414 1.288,415 2.491,416 1.444,417 3.6,418 2.117,419 1.185,420 1.486,422 2.741,423 1.098,424 2.227,425 1.417,426 3.4,427 2.057,428 1.104,429 1.19,431 2.476,432 1.04,433 2.118,434 1.321,435 3.192,436 1.831,437 0.853,438 0.969,440 1.928,441 0.825,442 2.055,443 1.299,444 3.127,445 1.541,446 0.63,447 0.927,449 1.49,450 0.567,451 1.832,452 0.989,453 3,454 1.416,455 0.618,456 0.731,458 1.372,459 0.486,460 1.675,461 0.618,462 2.829,463 1.342,464 0.314,465 0.378,467 0.718,468 0.317,469 15.1,470 0.472,471 0.753,472 0.024,473 37.5,474 1.172,475 16.5,476 0.516,477 21,478 0.656,479 31.042,480 0.97,481 36.5,482 0.608,483 29.963,484 0.936,485 7.107,486 0.222,487 8.312,488 0.26,489 0.132,491 0.291,496 0.766,497 1.466,498 0.765,499 1.149,500 0.557,501 1.045,502 0.839,503 1.226,504 0.874,505 1.101,506 0.588,507 1.008,508 1.206,509 0.966,510 1.002,511 0.912,512 1.167,513 0.966,514 1.04,515 1.004,516 0.812,517 0.897,518 1.206,519 0.944,520 0.779,521 0.929,522 0.825,523 0.914,524 0.949,525 0.916,526 1.23,527 1.051,528 0.968,529 0.97,530 1.441,531 0.974,532 1.323,533 1.048,534 0.943,535 0.962,536 1.629,537 1.033,538 0.993,539 0.877,540 0.768,541 0.791,542 1.042,543 0.859,544 6.5,545 0.185,546 3.111,547 1.785,548 1.631,549 1.007,550 0.646,551 0.527,552 0.456,553 0.294,554 13925,555 40616,556 2.011,557 46.7,558 7,559 11,560 1,561 1,562 2,563 4,564 2,567 1.751,568 1.882,569 3.526,570 0.27,572 1,575 102.09,576 1.702,577 3.738,578 4.957,579 5.182,580 5.282,581 5.315,582 2.962,583 4.438,584 4.965,585 3.746,586 1858.18,587 8.725,588 28355.4,593 354.413,594 1.4,595 4.929,596 0.191,597 0.005,598 0.069,599 0.042,600 0.038,601 0.022,602 0.015,603 0.012,604 0.01,605 0.007,606 0.412,607 0.33,608 0.88,609 1.512,610 169.26,611 -0.054,612 -0.213,613 0.062,614 -0.059,615 -0.025,616 -0.019,617 0.067,618 -0.105,619 0.07,620 -0.071,621 0.053,622 -0.021,623 -0.101,624 0.036,625 -0.089,626 0.006,627 -0.125,628 -0.018,629 -0.05,630 -0.03,631 0.05,632 0.003,633 -0.055,634 0.022,635 0.198,636 0.055,637 0.083,638 0.008,639 0.248,640 0.053,641 -0.113,642 -0.069,643 -0.052,644 -0.046,645 -0.106,646 -0.021,647 -0.02,648 -0.065,649 -0.06,650 -0.075,651 -0.093,652 -0.11,653 0.112,654 0.072,655 0.116,656 0.093,657 0.132,658 0.091,659 2.005,660 6.017,661 0.469,662 37.891,663 1.012,664 1.132,665 1.504,666 2.263,667 0.651,668 3.555,669 3.829,670 4.007,671 4.22,672 4.369,673 4.407,674 4.522,675 4.615,676 4.673,677 4.585,678 7.457,679 0.619,680 460.61,681 3.555,682 5.069,683 5.878,684 6.725,685 7.555,686 8.408,687 9.25,688 10.108,689 10.957,690 11.817,691 6.7,698 3,701 1,709 5,710 1,713 1,714 4,716 11,735 2,738 60,739 14,740 1,741 34,743 62,744 22,745 9,746 3,747 3,752 3,753 4,759 2,766 3,768 12,769 10,770 1,772 3,778 3,782 3,786 1,789 28,790 9,791 2,792 10,793 1,797 4,803 0.667,804 5,822 1,823 2,827 1,838 2,839 1,855 2,857 1,859 2,862 32,869 7,871 2,872 2,874 1,875 1,879 1,886 8.3,889 3,891 2,893 17,894 11.15,895 7.167,896 3.678,898 1.606,899 1.223,900 0.936,901 9.298,902 8.795,903 3.773,904 4.245,905 4.641,906 5.109,907 5.444,908 5.589,909 5.864,910 6.024,911 6.103,912 5.993,913 0.875,914 43,915 11.951,917 5.019,918 7.917,919 22.444,921 17.808,924 2.417,925 77.333,929 306.049,930 142.911,931 55.931,933 97.435,935 31.278,936 111.634,937 403.483,938 55.931,939 17.65,940 60.146,941 36.078,942 118.105,943 44.792,944 11.771,945 313.784,947 306.049,948 167.565,949 97.435,950 31.278,952 282.506,953 120.977,956 87.344,957 63.435,958 16.786,959 31.278,960 306.049,961 153.366,962 142.911,965 306.049,966 80.136,967 65.9,968 36.022,969 114.22,970 306.049,971 153.366,972 142.911,973 0.569,974 0.309,975 0.162,976 0.085,977 18,978 9,979 0.161,980 10,981 1,982 1.133,983 4.336,984 272.2,985 0.133,986 15,987 156,989 1,993 24.46,994 12.164,995 7.729,997 153.366,998 8.455,999 4,1002 1.303,1003 2.11,1005 36.022,1006 602.326,1007 42.5,1013 37.683,1017 -0.909,1020 60.723,1021 67.943,1022 0.288,1023 0.633,1024 0.839,1025 0.877,1026 0.894,1027 0.9,1028 4.996,1029 1.618,1030 5.838,1031 5.126,1032 4.511,1033 4.931,1034 3.148,1035 6.572,1036 4.4,1037 6.151,1038 1.416,1039 7.349,1040 4.361,1041 4.007,1042 4.635,1043 2.575,1044 7.334,1045 3.896,1046 7.419,1047 1.185,1048 8.959,1049 3.086,1050 6.028,1051 6.932,1052 4.072,1053 10.399,1054 5.815,1055 8.717,1056 1.104,1057 10.629,1058 2.741,1059 6.33,1060 7.447,1061 4.164,1062 12.022,1063 6.096,1064 10.047,1065 0.853,1066 12.339,1067 2.476,1068 7.808,1069 9.222,1070 5.23,1071 14.597,1072 7.494,1073 11.397,1074 0.63,1075 14.078,1076 1.928,1077 8.497,1078 10.121,1079 5.603,1080 16.595,1081 8.144,1082 12.764,1083 0.618,1084 15.839,1085 1.49,1086 9.747,1087 11.679,1088 6.477,1089 18.994,1090 9.329,1091 3.062,1092 0.314,1093 17.618,1094 1.372,1095 10.635,1096 12.778,1097 6.986,1098 21.158,1099 10.167,1100 2.782,1101 10.145,1102 19.41,1103 0.718,1104 11.786,1105 14.236,1106 7.764,1107 23.492,1108 11.263,1109 2.634,1110 8.966,1111 21.214,1112 3.953,1113 12.775,1114 15.445,1115 8.345,1116 25.73,1117 12.199,1118 2.325,1119 7.414,1120 23.027,1121 3.509,1122 13.887,1123 16.854,1124 9.071,1125 28.041,1126 13.259,1127 2.186,1128 6.066,1129 24.847,1130 3.293,1131 14.928,1132 18.125,1133 9.691,1134 30.313,1135 14.249,1136 2.139,1137 5.849,1138 26.674,1139 2.784,1140 16.026,1141 19.511,1142 10.39,1143 32.617,1144 15.297,1145 1.918,1146 5.309,1147 28.507,1148 2.753,1149 17.095,1150 20.819,1151 11.031,1152 34.906,1153 16.315,1154 13652,1155 23580,1156 22.364,1157 39.08,1158 50.344,1159 51.953,1160 50.638,1161 49.435,1162 49.569,1163 60.731,1164 16.827,1165 134.097,1166 46.799,1167 5.317,1168 5.804,1169 6.18,1170 5.156,1171 5.062,1172 6.953,1173 3.469,1174 16.89,1175 4.916,1176 16.883,1177 1.481,1178 1.528,1179 1.489,1180 1.454,1181 1.458,1182 1.786,1183 0.495,1184 3.944,1185 1.376,1186 3.985,1187 4.009,1188 4.204,1189 3.866,1190 7.435,1191 3.877,1192 3.834,1193 3.864,1194 3.933,1195 3.792,1196 7.427,1197 3.719,1198 3.77,1199 3.829,1200 3.673,1201 3.626,1202 7.422,1203 3.615,1204 3.685,1205 3.721,1206 3.589,1207 3.524,1208 4.948,1209 3.529,1210 3.549,1211 3.596,1212 3.458,1213 3.34,1214 4.862,1215 3.359,1216 3.435,1217 3.489,1218 3.311,1219 3.23,1220 4.356,1221 3.238,1222 3.274,1223 3.327,1224 3.19,1225 3.029,1226 4.288,1227 3.052,1228 3.111,1229 3.174,1230 2.913,1231 2.877,1232 4.212,1233 2.885,1234 0.128,1235 0.112,1236 0.191,1237 0.118,1238 0.09,1239 4.349,1240 0.116,1241 3.804,1242 0.059,1243 6.493,1244 0.298,1245 4.015,1246 0.086,1247 3.062,1248 3.953,1249 1.99,1250 10.145,1251 2.916,1252 1.906,1253 1.887,1254 2.017,1255 2.051,1256 1.305,1257 2.034,1258 1.762,1259 1.7,1260 1.994,1261 1.943,1262 1.166,1263 1.965,1264 1.67,1265 1.631,1266 1.853,1267 1.88,1268 1.087,1269 1.87,1270 1.504,1271 1.458,1272 1.717,1273 1.76,1274 0.944,1275 1.746,1276 1.395,1277 1.34,1278 1.662,1279 1.633,1280 0.846,1281 1.641,1282 1.357,1283 1.337,1284 1.519,1285 1.559,1286 0.735,1287 1.546,1288 1.3,1289 1.248,1290 1.492,1291 1.471,1292 0.581,1293 1.501,1294 1.174,1295 1.096,1296 1.417,1297 1.385,1298 0.469,1299 1.425,1300 4.234,1302 5.517,1303 2.398,1304 6.971,1305 4.443,1306 8.509,1307 6.26,1308 10.1,1310 4.155,1315 2.041,1317 5.509,1318 11.152,1320 0.46,1321 1.375,1326 37.168,1327 102.09,1328 224.3,1329 297.394,1330 310.904,1331 316.904,1332 318.904,1333 88.19,1334 7.189,1335 109.86,1336 138.1,1337 17,1338 12.37,1339 3.907,1340 3.248,1341 60.785,1342 131,1343 152,1344 0.204,1345 234.492,1346 415.62,1347 563.92,1348 12177,1350 22.924,1351 0.716,1352 0.596,1353 23.278,1354 19.074,1355 15.419,1356 0.453,1357 0.337,1358 10.471,1359 14.18,1360 10.135,1361 8.414,1362 15.873,1363 11.461,1364 13.753,1365 0.306,1366 0.192,1367 14.363,1368 8.62,1369 10.395,1370 0.192,1371 0.1,1372 11.011,1373 5.417,1374 8.339,1375 0.124,1376 0.054,1377 8.974,1378 3.591,1379 6.324,1380 0.081,1381 0.027,1382 6.61,1383 2.116,1384 0.322,1385 102.456,1386 0.211,1387 30.191,1388 0.559,1389 158,1390 547.494,1391 203.422,1392 528.443,1393 699.22,1394 494,1395 178,1396 477.148,1397 216.069,1398 486,1399 705.85,1400 457,1401 5.229}
{0 CHEMBL1337592,1 1.611,2 9.233,3 5.293,4 28.016,5 118.458,6 8.025,7 0.375,8 4.099,9 4.21,10 3.72,11 3.668,12 5.164,13 3.627,14 4.665,15 4.831,16 4.068,17 4.062,18 5.698,19 3.99,20 4.967,21 5.178,22 4.218,23 4.216,24 6.015,25 4.13,26 5.014,27 5.232,28 4.257,29 4.248,30 6.08,31 4.168,32 5.075,33 5.271,34 4.417,35 4.326,36 6.349,37 4.261,38 5.118,39 5.292,40 4.526,41 4.392,42 6.392,43 4.318,44 5.123,45 5.312,46 4.505,47 4.426,48 6.276,49 4.304,50 5.137,51 5.359,52 4.214,53 4.367,54 6.122,55 4.211,56 0.034,57 0.746,58 10.671,59 5.316,60 8.158,61 6.858,62 0.286,63 1.218,64 24.012,65 9.255,66 32.044,67 12.136,68 0.584,69 1.573,70 36.338,71 11.953,72 68.538,73 15.931,74 0.401,75 1.635,76 36.587,77 12.677,78 53.333,79 16.979,80 0.609,81 1.674,82 40.307,83 13.488,84 109.867,85 17.276,86 0.843,87 1.687,88 45.814,89 14.11,90 123.327,91 17.341,92 0.78,93 1.689,94 52.113,95 15.692,96 102.652,97 19.962,98 0.584,99 1.695,100 48.723,101 16.22,102 80.978,103 21.197,104 31,105 43,106 0.266,107 0.568,108 0.734,109 0.836,110 0.852,111 0.852,112 3.441,113 1.033,114 -4.9,115 -4.81,116 -4.51,120 41.1,122 5,125 1,126 1,128 2,143 8,144 1,145 3,159 2,174 10,176 1,177 5,180 1,182 2,185 13,188 1,189 8,192 1,194 3,197 6,201 12,206 3,209 3,213 1,214 11,217 1,219 4,222 10,226 1,227 9,232 2,235 17,239 1,240 5,243 1,245 2,247 23,251 1,252 4,260 18,264 5,271 12,274 1720,275 20.361,276 20.361,277 20.361,278 20.361,279 20.361,280 18.65,281 24.174,282 12.148,283 20.84,284 15.66,285 15.66,286 15.66,287 15.66,288 15.66,289 12.974,290 30.958,291 5.602,292 16.42,293 4.197,294 2.377,295 1.37,296 0.755,297 0.656,298 0.656,299 4.121,300 1,303 1,306 1,307 1,308 576,309 4.183,313 346.16,320 1.264,321 37.315,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 64.667,333 277,334 4.434,335 3.981,336 6.999,337 4.217,338 3.255,339 3.849,340 2.149,341 11.918,342 3.131,343 4.068,344 3.629,345 6.043,346 3.686,347 2.715,348 3.654,349 2.049,350 8.571,351 2.625,352 3.849,353 3.001,354 5.458,355 3.531,356 2.562,357 3.228,358 0.87,359 7.248,360 2.483,361 3.686,362 2.908,363 5.318,364 3.37,365 2.427,366 2.905,367 0.86,368 6.809,369 2.285,370 3.487,371 2.732,372 5.238,373 3.232,374 2.271,375 2.639,376 0.416,377 6.412,378 2.15,379 3.211,380 2.518,381 4.879,382 2.874,383 1.879,384 2.393,385 0.115,386 5.264,387 1.853,388 3.19,389 2.386,390 4.729,391 2.746,392 1.818,393 2.293,395 4.938,396 1.605,397 2.678,398 1.899,399 4.031,400 2.408,401 1.42,402 1.75,404 3.155,405 1.399,406 2.5,407 1.579,408 3.574,409 2.188,410 1.215,411 1.5,413 2.709,414 1.153,415 2.452,416 1.519,417 3.476,418 2,419 1,420 1.448,422 2.368,423 1,424 2.223,425 1.248,426 3.414,427 2,428 1,429 1.11,431 2.275,432 1,433 2,434 1.025,435 3.247,436 1.885,437 0.928,438 1,440 2.136,441 0.866,442 1.676,443 1,444 3.199,445 1.394,446 0.538,447 0.592,449 0.882,450 0.445,451 1.471,452 1,453 2.736,454 1.016,455 0.243,456 0.271,458 0.366,459 0.15,460 1.162,461 0.628,462 2.472,463 0.809,464 -0.125,465 -0.146,467 -0.281,468 -0.111,469 14.729,470 0.491,471 0.644,472 0.021,473 34.75,474 1.158,475 16,476 0.533,477 18.75,478 0.625,479 30.46,480 1.015,481 33.271,482 0.594,483 28.594,484 0.953,485 6.554,486 0.218,487 7.974,488 0.266,489 0.176,491 0.299,496 0.656,497 1.334,498 0.608,499 1.011,500 0.529,501 0.962,502 0.801,503 1.239,504 0.819,505 1.027,506 0.601,507 1.019,508 0.887,509 1.022,510 0.776,511 0.916,512 0.901,513 0.928,514 0.896,515 1.111,516 0.663,517 0.906,518 0.955,519 0.881,520 1.157,521 1.023,522 0.784,523 0.844,524 1.472,525 0.829,526 1.403,527 0.968,528 1.04,529 0.924,530 1.78,531 0.937,532 0.937,533 1.031,534 1.1,535 1.085,536 1.061,537 1.083,538 0.913,539 1.025,540 1.11,541 1.109,542 0.874,543 1.129,544 5.5,545 0.107,546 2.889,547 2.313,548 2.156,549 1.264,550 1.017,551 0.597,552 0.357,553 0.252,554 9750,555 28746,556 2.012,557 46.4,558 6,559 15,562 1,564 4,567 1.741,568 1.875,569 3.146,570 -0.349,575 90.204,576 1.611,577 3.431,578 4.437,579 5.053,580 5.151,581 5.151,582 2.606,583 4.323,584 4.875,585 3.338,586 1451.94,587 8.578,588 19859.1,593 325.212,594 1.436,595 4.831,596 0.172,597 0.006,598 0.067,599 0.049,600 0.043,601 0.022,602 0.018,603 0.011,604 0.009,605 0.008,606 0.406,607 0.33,608 1,609 1.018,610 150.496,611 -0.024,612 -0.123,613 0.016,614 -0.039,615 -0.011,616 -0.002,617 0.018,618 -0.117,619 -0.043,620 -0.068,621 0.027,622 -0.063,623 0.036,624 0.054,625 0.023,626 0.008,627 0.015,628 0.015,629 -0.012,630 -0.057,631 0.09,632 0.017,633 0.027,634 0.07,635 -0.012,636 0.017,637 0.079,638 0.095,639 0.075,640 0.108,641 -0.079,642 0.068,643 -0.009,644 0.048,645 -0.097,646 -0.005,647 0.086,648 -0.033,649 0.009,650 -0.062,651 0.018,652 -0.092,653 -0.032,654 -0.062,655 -0.106,656 -0.104,657 -0.049,658 -0.125,659 2.206,660 6.474,661 0.6,662 26.844,663 1.006,664 1.123,665 3.671,666 13.473,667 0.678,668 3.497,669 3.784,670 4.043,671 4.304,672 4.533,673 4.543,674 4.654,675 4.718,676 4.682,677 4.543,678 5.923,679 0.637,680 449.41,681 3.497,682 5.017,683 5.855,684 6.725,685 7.587,686 8.468,687 9.342,688 10.228,689 11.108,690 11.998,691 3.6,698 2,709 8,714 4,716 12,735 1,737 1,738 56,739 14,740 2,741 32,743 58,744 23,745 12,746 4,747 8,750 1,752 3,753 3,754 2,759 1,763 6,766 7,768 14,769 9,772 2,778 2,782 2,789 26,790 5,791 1,792 7,793 2,797 2,803 1,804 3,823 3,838 1,839 1,855 3,859 1,860 2,862 30,869 6,871 1,872 1,874 2,875 1,885 2,886 5.4,889 2,891 1,893 16,894 10.069,895 6.889,896 3.447,898 1.647,899 1.237,900 0.943,901 8.43,902 8.599,903 3.714,904 4.205,905 4.668,906 5.168,907 5.665,908 5.754,909 6.038,910 6.315,911 6.425,912 6.437,913 1,914 47,915 11.199,917 4.76,918 7.83,919 21.259,921 17.344,924 2.33,925 69.889,929 294.278,930 126.311,931 21.135,932 78.297,933 61.29,936 126.311,937 433.865,938 21.135,939 10.883,940 36.657,941 75.81,942 59.699,943 25.686,945 333.426,946 39.149,947 294.278,948 147.446,949 61.29,950 78.297,952 247.193,953 108.374,956 36.657,957 110.789,958 78.297,960 294.278,961 82.425,962 204.608,965 294.278,966 39.618,967 89.817,968 18.011,969 139.587,970 294.278,971 82.425,972 204.608,973 0.567,974 0.337,975 0.187,976 0.108,977 18,978 9,979 0.103,980 6,982 1,983 3.902,984 268.689,986 18,987 139.207,993 22.921,994 11.033,995 5.91,997 82.425,998 14.021,1003 2.333,1005 18.011,1006 581.311,1007 40,1013 26.379,1017 -0.607,1020 56.32,1021 62.91,1022 0.277,1023 0.591,1024 0.764,1025 0.87,1026 0.887,1027 0.887,1028 4.942,1029 1.42,1030 5.826,1031 4.938,1032 4.466,1033 4.89,1034 2.963,1035 6.627,1036 4.381,1037 6.104,1038 1.215,1039 7.377,1040 3.155,1041 4.007,1042 4.575,1043 2.335,1044 7.561,1045 3.866,1046 7.384,1047 1,1048 9.033,1049 2.709,1050 6.038,1051 6.919,1052 4.033,1053 10.69,1054 5.88,1055 8.695,1056 1,1057 10.754,1058 2.368,1059 6.415,1060 7.372,1061 4.105,1062 12.531,1063 6.195,1064 10.039,1065 0.928,1066 12.52,1067 2.275,1068 7.904,1069 9.222,1070 5.351,1071 15.207,1072 7.675,1073 11.404,1074 0.538,1075 14.319,1076 2.136,1077 8.682,1078 10.035,1079 5.728,1080 17.433,1081 8.393,1082 12.786,1083 0.243,1084 16.145,1085 0.882,1086 9.956,1087 11.667,1088 6.757,1089 19.968,1090 9.652,1091 3.255,1092 -0.125,1093 17.991,1094 0.366,1095 10.933,1096 12.677,1097 7.29,1098 22.351,1099 10.576,1100 2.715,1101 11.918,1102 19.855,1103 -0.281,1104 12.126,1105 14.193,1106 8.203,1107 24.843,1108 11.745,1109 2.562,1110 8.571,1111 21.733,1112 3.849,1113 13.202,1114 15.321,1115 8.824,1116 27.284,1117 12.773,1118 2.427,1119 7.248,1120 23.623,1121 3.654,1122 14.369,1123 16.768,1124 9.67,1125 29.765,1126 13.91,1127 2.271,1128 6.809,1129 25.523,1130 3.228,1131 15.493,1132 17.969,1133 10.343,1134 32.228,1135 14.991,1136 1.879,1137 6.412,1138 27.43,1139 2.905,1140 16.656,1141 19.374,1142 11.15,1143 34.706,1144 16.119,1145 1.818,1146 5.264,1147 29.345,1148 2.639,1149 17.805,1150 20.622,1151 11.854,1152 37.178,1153 17.226,1154 9690,1155 16823,1156 20.978,1157 37.989,1158 46.851,1159 49.281,1160 49.432,1161 46.583,1162 46.54,1163 57.267,1164 12.919,1165 130.101,1166 44.291,1167 5.434,1168 5.981,1169 6.801,1170 5.243,1171 5.255,1172 6.849,1173 3.819,1174 19.198,1175 5.131,1176 15.65,1177 1.464,1178 1.54,1179 1.545,1180 1.456,1181 1.454,1182 1.79,1183 0.404,1184 4.066,1185 1.384,1186 4.012,1187 4.043,1188 4.035,1189 3.919,1190 7.432,1191 3.922,1192 3.868,1193 3.915,1194 3.887,1195 3.806,1196 7.423,1197 3.8,1198 3.853,1199 3.883,1200 3.783,1201 3.741,1202 4.943,1203 3.728,1204 3.584,1205 3.61,1206 3.727,1207 3.403,1208 4.858,1209 3.422,1210 3.421,1211 3.454,1212 3.471,1213 3.213,1214 4.66,1215 3.228,1216 3.236,1217 3.306,1218 3.294,1219 2.986,1220 4.395,1221 2.988,1222 3.111,1223 3.206,1224 3.078,1225 2.941,1226 4.314,1227 2.91,1228 3.072,1229 3.148,1230 3.009,1231 2.874,1232 4.308,1233 2.862,1234 0.139,1235 0.124,1236 0.219,1237 0.132,1238 0.102,1239 4.434,1240 0.12,1241 3.981,1242 0.067,1243 6.999,1244 0.372,1245 4.217,1246 0.098,1247 3.255,1248 3.849,1249 2.149,1250 11.918,1251 3.131,1252 1.947,1253 1.922,1254 2.096,1255 2.069,1256 1.476,1257 2.072,1258 1.867,1259 1.835,1260 2.029,1261 2.007,1262 1.198,1263 2.025,1264 1.853,1265 1.808,1266 1.952,1267 1.938,1268 1.049,1269 1.948,1270 1.492,1271 1.463,1272 1.631,1273 1.705,1274 0.831,1275 1.69,1276 1.323,1277 1.285,1278 1.553,1279 1.571,1280 0.825,1281 1.565,1282 1.191,1283 1.116,1284 1.519,1285 1.492,1286 0.765,1287 1.512,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.628,1293 1.429,1294 1.071,1295 0.996,1296 1.347,1297 1.291,1298 0.541,1299 1.322,1300 4.174,1302 5.468,1304 6.967,1306 8.557,1308 10.197,1310 1.581,1311 12.111,1315 5.014,1317 3.15,1318 5.241,1320 -0.762,1321 1.429,1326 35.691,1327 90.204,1328 192.115,1329 248.483,1330 282.947,1331 288.457,1332 288.457,1333 78.824,1334 6.952,1335 58.64,1336 58.64,1337 18,1338 12.529,1339 3.907,1340 3.17,1341 54.479,1342 97,1343 128,1344 0.255,1345 228.038,1346 405.25,1347 548.173,1348 7643,1349 3.6,1350 21.51,1351 0.717,1352 0.615,1353 22.51,1354 18.456,1355 14.528,1356 0.454,1357 0.344,1358 10.072,1359 13.465,1360 9.755,1361 8.077,1362 15.171,1363 11.024,1364 12.478,1365 0.29,1366 0.188,1367 13.091,1368 8.1,1369 10.367,1370 0.185,1371 0.104,1372 10.951,1373 5.823,1374 8.506,1375 0.117,1376 0.057,1377 8.896,1378 4.172,1379 6.935,1380 0.075,1381 0.032,1382 7.306,1383 2.983,1384 0.383,1385 97.413,1386 0.218,1387 27.648,1388 0.756,1389 150,1390 455.591,1391 189.577,1392 491.298,1393 635.82,1394 458,1395 174,1396 401.957,1397 204.928,1398 421.791,1399 615.59,1400 395,1401 6.161}
{0 CHEMBL1337630,1 2.074,2 10.1,3 2.183,4 4.764,5 78.631,6 10.38,7 0.524,8 3.525,9 3.608,10 3.46,11 3.193,12 4.839,13 3.136,14 3.974,15 4.086,16 3.923,17 3.514,18 5.343,19 3.43,20 4.098,21 4.236,22 3.743,23 3.45,24 5.532,25 3.383,26 4.019,27 4.175,28 3.658,29 3.374,30 5.396,31 3.272,32 3.921,33 4.075,34 3.556,35 3.29,36 5.305,37 3.16,38 3.694,39 3.843,40 3.47,41 3.096,42 5.281,43 2.996,44 3.551,45 3.685,46 3.27,47 2.982,48 4.912,49 2.887,50 3.517,51 3.659,52 2.976,53 2.82,54 4.873,55 2.782,56 0.137,57 0.534,58 2.815,59 2.824,60 15.468,61 2.553,62 0.27,63 0.848,64 13.494,65 5.436,66 29.029,67 4.697,68 0.503,69 0.873,70 11.606,71 5.53,72 72.688,73 4.102,74 0.419,75 0.787,76 13.189,77 5.623,78 59.695,79 4.766,80 0.374,81 0.69,82 17.452,83 5.876,84 51.28,85 4.663,86 0.357,87 0.59,88 9.981,89 4.053,90 57.493,91 3.322,92 0.256,93 0.591,94 12.672,95 4.192,96 32.451,97 3.001,98 0.237,99 0.458,100 6.452,101 2.787,102 36.292,103 2.102,104 19,105 28,106 0.394,107 0.732,108 0.813,109 0.838,110 0.838,111 0.838,112 3.056,113 1.053,114 -3.54,115 -3.52,116 -3.36,120 40,121 1,126 1,143 4,144 1,145 1,158 1,159 1,163 2,167 1,174 4,177 5,180 2,182 2,185 5,189 4,192 1,197 3,200 1,201 4,206 1,209 3,213 2,214 3,222 3,226 1,227 4,235 3,240 4,243 1,245 1,247 2,252 2,257 2,263 1,264 2,269 2,271 1,274 490,275 13.085,276 13.085,277 13.085,278 13.085,279 13.085,280 11.416,281 12.953,282 7.83,283 13.621,284 10.36,285 10.36,286 10.36,287 10.36,288 10.36,289 7.822,290 14.353,291 3.759,292 11.303,293 2.833,294 1.054,295 0.625,296 0.492,297 0.492,298 0.492,299 3.711,305 1,306 1,307 1,308 415,309 3.317,312 62.93,313 73.795,320 1.52,321 30.157,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 45,333 202,334 4.19,335 4.461,336 6.028,337 3.825,338 2.832,339 3.767,340 3.325,341 8.584,342 2.837,343 4.121,344 3.59,345 5.673,346 3.597,347 2.741,348 3.73,349 1.907,350 7.961,351 2.37,352 3.661,353 3.528,354 5.048,355 3.246,356 2.302,357 3.013,358 1.133,359 6.128,360 2.155,361 3.547,362 2.891,363 5.002,364 3.147,365 2.205,366 2.748,367 0.149,368 5.968,369 2.026,370 3.092,371 2.707,372 4.347,373 2.626,374 1.735,375 2.23,377 4.356,378 1.496,379 2.819,380 2.299,381 4.114,382 2.351,383 1.377,384 1.863,386 3.616,387 1.313,388 2.5,389 1.957,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.224,398 1,399 3.283,400 1.668,401 0.76,402 1.093,404 1.791,405 0.673,406 1.705,407 0.967,408 2.983,409 1.239,410 0.407,411 0.498,413 0.947,414 0.324,415 1.114,416 0.55,417 2.426,418 0.674,419 -0.246,420 -0.303,422 -0.541,423 -0.215,424 0.997,425 0.463,426 2.183,427 0.584,428 -0.337,429 -0.409,431 -0.879,432 -0.302,433 0.5,434 0.307,435 2,436 0.096,437 -0.912,438 -1.108,440 -2,441 -0.788,442 0.457,443 -0.018,444 1.696,445 0.025,446 -1,447 -1.366,449 -2.426,450 -1,451 0.356,452 -0.173,453 1.422,455 -1,456 -1.5,458 -2.997,459 -1.091,460 0.021,461 -0.892,462 1.36,463 -0.333,464 -1.233,465 -1.567,467 -3,468 -1.12,469 9.819,470 0.491,471 0.544,472 0.027,473 26.25,474 1.313,475 14,476 0.7,477 12.25,478 0.613,479 14.201,480 0.71,481 21.381,482 0.713,483 16.665,484 0.833,485 5.119,486 0.256,487 4.423,488 0.221,489 0.148,491 0.306,494 1,496 0.586,497 0.872,498 0.684,499 0.771,500 0.536,501 0.78,502 0.57,503 1.135,504 0.819,505 1.135,506 0.59,507 0.963,508 1.391,509 0.969,510 1.033,511 0.912,512 1.421,513 0.983,514 1.031,515 0.985,516 1.091,517 1.077,518 1.054,519 1.063,520 0.845,521 0.884,522 1.558,523 1.358,524 0.846,525 1.088,526 0.685,527 0.954,528 1.133,529 1.078,530 0.576,531 0.938,532 1.076,533 1.334,534 1.714,535 1.552,536 0.979,537 1.146,538 1.217,539 1.065,540 1.132,541 1.02,542 1.138,543 1.15,544 5,545 0.09,546 2,547 1.194,548 0.747,549 0.646,550 0.279,551 0.141,552 0.177,553 0.097,554 3958,555 17036,556 1.966,557 33.3,559 6,562 1,563 3,567 1.611,568 1.818,569 3.323,570 -0.124,572 1,574 1,575 62.213,576 2.074,577 3.853,578 4.282,579 4.415,580 4.415,581 4.415,582 2.746,583 3.522,584 4.293,585 3.465,586 658.43,587 7.299,588 7043.33,589 1,590 1,592 1,593 147.207,594 1.485,595 4.237,596 0.238,597 0.01,598 0.071,599 0.05,600 0.036,601 0.034,602 0.016,603 0.009,604 0.014,605 0.008,606 0.486,607 0.33,608 1,609 1.113,610 90.992,611 -0.025,612 0.055,613 0.03,614 0.091,615 -0.037,616 0.041,617 0.114,618 -0.199,619 0.204,620 -0.085,621 0.046,622 -0.019,623 -0.296,624 0.025,625 -0.114,626 0.038,627 -0.266,628 -0.073,629 -0.103,630 -0.046,631 -0.04,632 -0.043,633 -0.108,634 -0.066,635 -0.033,636 -0.028,637 -0.231,638 -0.127,639 -0.021,640 -0.04,641 0.203,642 0.041,643 0.017,644 0.026,645 0.272,646 0.038,647 -0.125,648 -0.13,649 -0.39,650 -0.285,651 -0.112,652 -0.158,653 -0.332,654 -0.212,655 -0.352,656 -0.2,657 -0.24,658 -0.296,659 2.043,660 4.857,661 0.55,662 16.4,663 1.039,664 1.125,665 2.314,666 5.355,667 0.74,668 3.091,669 3.367,670 3.497,671 3.664,672 3.738,673 3.714,674 3.638,675 3.526,676 3.611,677 3.611,678 5.941,679 0.712,680 311.39,681 3.091,682 4.595,683 5.389,684 6.229,685 7.041,686 7.882,687 8.702,688 9.542,689 10.366,690 11.206,691 10,698 1,701 2,709 4,710 2,713 1,714 4,716 11,721 1,737 1,738 30,739 13,740 1,741 21,743 31,744 12,745 8,746 2,747 4,748 1,752 2,753 2,759 1,768 10,769 2,772 2,778 2,782 2,785 1,786 1,787 1,789 10,790 6,791 1,792 8,793 2,797 3,803 1,804 2,822 1,823 1,838 1,855 2,856 1,857 2,859 1,861 1,862 20,869 1,871 1,873 1,885 1,886 6.7,889 2,893 11,894 5.793,895 4.444,896 1.585,898 1.983,899 1.322,900 0.952,901 5.071,902 8.138,903 3.384,904 3.927,905 4.358,906 4.84,907 5.135,908 5.198,909 5.25,910 5.124,911 5.418,912 5.752,913 0.857,914 24,915 7.367,917 3.09,918 8.283,919 13.373,921 10.357,924 2.783,925 55.667,929 105.94,930 133.773,931 51.337,933 50.29,934 14.96,935 63.497,936 70.275,937 156.23,938 66.297,939 8.825,940 18.91,941 37.905,942 93.454,943 12.807,944 14.96,945 169.437,947 105.94,948 121.612,949 65.25,950 63.497,952 120.9,953 50.29,956 28.236,957 60.05,958 33.326,959 63.497,960 120.9,961 101.627,962 133.773,965 105.94,966 87.042,967 46.73,968 18.011,969 98.576,970 105.94,971 116.587,972 133.773,973 0.576,974 0.304,975 0.152,976 0.08,977 12,978 6,979 0.161,980 5,982 1,983 3.311,984 134.595,986 11,987 82.439,989 2,993 14.919,994 6.798,995 4.547,997 116.587,998 5.386,999 7.627,1002 1.197,1003 1.058,1005 18.011,1006 356.299,1007 28.5,1013 22.695,1017 -0.341,1020 31.16,1021 33.754,1022 0.423,1023 0.785,1024 0.873,1025 0.9,1026 0.9,1027 0.9,1028 4.582,1029 0.76,1030 5.361,1031 2.275,1032 4.043,1033 4.61,1034 3.457,1035 6.071,1036 3.895,1037 5.778,1038 0.407,1039 6.864,1040 1.791,1041 3.611,1042 4.369,1043 1.593,1044 6.763,1045 3.432,1046 7.061,1047 -0.246,1048 8.456,1049 0.947,1050 5.549,1051 6.706,1052 5.584,1053 9.745,1054 5.282,1055 8.373,1056 -0.337,1057 10.096,1058 -0.541,1059 5.861,1060 7.22,1061 3.032,1062 11.214,1063 5.577,1064 9.71,1065 -0.912,1066 11.768,1067 -0.879,1068 7.295,1069 9.048,1070 7.924,1071 13.693,1072 6.949,1073 11.063,1074 -1,1075 13.462,1076 -2,1077 7.953,1078 9.92,1079 4.409,1080 15.506,1081 7.601,1082 12.429,1083 -1,1084 15.172,1085 -2.426,1086 9.17,1087 11.519,1088 10.312,1089 17.787,1090 8.778,1091 2.832,1092 -1.233,1093 16.894,1094 -2.997,1095 10.003,1096 12.582,1097 5.75,1098 19.764,1099 9.612,1100 2.741,1101 8.584,1102 18.625,1103 -3,1104 11.118,1105 14.061,1106 12.71,1107 21.96,1108 10.705,1109 2.302,1110 7.961,1111 20.365,1112 3.767,1113 12.043,1114 15.23,1115 7.068,1116 24.017,1117 11.634,1118 2.205,1119 6.128,1120 22.112,1121 3.73,1122 13.11,1123 16.644,1124 15.112,1125 26.176,1126 12.691,1127 1.735,1128 5.968,1129 23.864,1130 3.013,1131 14.083,1132 17.875,1133 8.374,1134 28.272,1135 13.671,1136 1.377,1137 4.356,1138 25.621,1139 2.748,1140 15.128,1141 19.252,1142 17.514,1143 30.416,1144 14.715,1145 1,1146 3.616,1147 27.382,1148 2.23,1149 16.127,1150 20.518,1151 9.674,1152 32.531,1153 15.722,1154 4025,1155 8472,1156 13.523,1157 22.205,1158 31.288,1159 34.483,1160 31.786,1161 30.684,1162 30.719,1163 40.883,1164 13.029,1165 83.253,1166 28.388,1167 5.062,1168 6.461,1169 5.443,1170 5.014,1171 4.832,1172 6.767,1173 6.65,1174 14.539,1175 4.837,1176 11.267,1177 1.49,1178 1.642,1179 1.514,1180 1.461,1181 1.463,1182 1.947,1183 0.62,1184 3.964,1185 1.352,1186 3.938,1187 3.958,1188 4.301,1189 3.877,1190 8.201,1191 3.866,1192 3.791,1193 3.823,1194 3.889,1195 3.757,1196 7.431,1197 3.666,1198 3.497,1199 3.53,1200 3.602,1201 3.334,1202 7.426,1203 3.322,1204 3.376,1205 3.403,1206 3.396,1207 3.212,1208 5.001,1209 3.207,1210 2.854,1211 2.925,1212 3.053,1213 2.735,1214 4.598,1215 2.715,1216 2.83,1217 2.887,1218 2.687,1219 2.729,1220 3.955,1221 2.678,1222 2.672,1223 2.78,1224 2.543,1225 2.375,1226 3.675,1227 2.38,1228 2.375,1229 2.374,1230 2.483,1231 2.081,1232 3.674,1233 2.083,1234 0.2,1235 0.212,1236 0.287,1237 0.182,1238 0.135,1239 4.19,1240 0.179,1241 4.461,1242 0.158,1243 6.028,1244 0.409,1245 3.825,1246 0.135,1247 2.832,1248 3.767,1249 3.325,1250 8.584,1251 2.837,1252 1.901,1253 1.882,1254 1.995,1255 1.992,1256 1.095,1257 1.995,1258 1.522,1259 1.49,1260 1.727,1261 1.78,1262 0.806,1263 1.761,1264 1.417,1265 1.401,1266 1.508,1267 1.554,1268 0.734,1269 1.576,1270 1.133,1271 1.133,1272 1.196,1273 1.374,1274 0.405,1275 1.348,1276 1.024,1277 0.96,1278 1.181,1279 1.174,1280 0.218,1281 1.204,1282 0.886,1283 0.821,1284 0.961,1285 1.062,1286 0.066,1287 1.107,1288 0.694,1289 0.637,1290 0.842,1291 0.932,1293 0.933,1294 0.396,1295 0.319,1296 0.455,1297 0.733,1299 0.741,1300 3.761,1302 5.043,1303 2.398,1304 6.485,1305 4.595,1306 7.997,1307 6.555,1308 9.548,1310 1.381,1312 12.74,1315 0.181,1317 2.517,1319 1.226,1326 21.359,1327 62.213,1328 115.597,1329 128.452,1330 132.452,1331 132.452,1332 132.452,1333 45.815,1334 6.155,1335 71.95,1336 125.49,1337 11,1338 11.775,1339 3.807,1340 3.087,1341 36.737,1342 72,1343 62,1344 0.253,1345 142.435,1346 244.83,1347 339.302,1348 3303,1349 3.3,1350 14.535,1351 0.727,1352 0.603,1353 14.372,1354 12.055,1355 9.542,1356 0.454,1357 0.351,1358 5.63,1359 8.277,1360 5.317,1361 4.415,1362 10.01,1363 7.373,1364 8.749,1365 0.312,1366 0.213,1367 9.472,1368 5.973,1369 6.35,1370 0.198,1371 0.13,1372 7.455,1373 4.154,1374 4.911,1375 0.129,1376 0.079,1377 6.356,1378 3.008,1379 3.518,1380 0.086,1381 0.048,1382 4.708,1383 1.969,1384 0.406,1385 69.211,1386 0.272,1387 20.44,1388 0.667,1389 98,1390 432.926,1391 167.41,1392 428.716,1393 553.74,1394 396,1395 109,1396 353.122,1397 160.478,1398 377.013,1399 542.83,1400 351,1401 4.171}
{0 CHEMBL1337858,1 1.813,2 11.472,3 5.822,4 33.891,5 144.802,6 9.853,7 0.683,8 4.134,9 4.216,10 4.01,11 3.822,12 5.319,13 3.781,14 4.621,15 4.73,16 4.425,17 4.218,18 5.771,19 4.158,20 4.823,21 4.962,22 4.519,23 4.33,24 5.925,25 4.241,26 4.855,27 5.008,28 4.478,29 4.335,30 5.979,31 4.251,32 4.903,33 5.044,34 4.658,35 4.401,36 6.147,37 4.313,38 4.938,39 5.092,40 4.598,41 4.408,42 6.147,43 4.275,44 4.866,45 5.039,46 4.354,47 4.241,48 5.961,49 4.124,50 4.761,51 4.942,52 4.229,53 4.098,54 5.929,55 4.04,56 0.09,57 0.774,58 5.818,59 4.314,60 7.924,61 4.549,62 0.287,63 1.324,64 15.243,65 7.826,66 16.287,67 7.705,68 0.483,69 1.585,70 26.472,71 10.804,72 35.447,73 10.249,74 0.417,75 1.695,76 28.272,77 11.236,78 28.809,79 10.398,80 0.642,81 1.727,82 27.081,83 11.44,84 46.758,85 10.992,86 0.525,87 1.765,88 36.488,89 14.506,90 61.951,91 13.952,92 0.568,93 1.595,94 40.41,95 13.14,96 54.511,97 12.372,98 0.532,99 1.448,100 25.907,101 9.855,102 43.012,103 10.94,104 5,105 58,106 0.292,107 0.607,108 0.76,109 0.873,110 0.891,111 0.891,112 3.616,113 0.968,114 -5.37,115 -5.26,116 -4.91,120 48.1,126 2,143 11,144 1,145 5,146 2,152 1,153 1,159 1,162 1,163 1,167 1,174 7,176 3,177 10,185 8,188 1,189 14,197 7,201 8,209 4,213 8,214 8,222 12,226 3,227 7,235 13,240 7,247 8,251 3,252 17,260 1,264 13,271 2,274 2266,275 24.999,276 24.999,277 24.999,278 24.999,279 24.999,280 21.459,281 21.344,282 14.858,283 25.783,284 20.301,285 20.301,286 20.301,287 20.301,288 20.301,289 15.05,290 26.334,291 7.101,292 21.694,293 3.942,294 1.988,295 1.038,296 0.333,297 0.222,298 0.222,299 4.336,303 1,307 1,308 929,309 3.391,312 183.749,313 355.958,317 279.223,320 1.56,321 29.795,324 0.75,325 0.67,326 0.83,327 0.3,329 0.83,330 1,331 0.63,332 76.833,333 413,334 4.56,335 4.612,336 6.98,337 4.227,338 3.293,339 4.207,340 3.36,341 11.877,342 3.07,343 4.508,344 4.487,345 6.715,346 4.08,347 3.156,348 4.135,349 2.95,350 10.932,351 2.932,352 4.03,353 3.733,354 6.006,355 3.563,356 2.611,357 3.661,358 1.776,359 8.484,360 2.521,361 3.927,362 3.244,363 5.757,364 3.535,365 2.549,366 3.484,367 0.545,368 7.805,369 2.473,370 3.814,371 3.124,372 5.689,373 3.407,374 2.467,375 3.335,376 0.522,377 7.527,378 2.3,379 3.717,380 2.895,381 5.333,382 3.303,383 2.359,384 2.988,386 6.896,387 2.21,388 3.429,389 2.698,390 4.961,391 2.941,392 2.076,393 2.731,395 5.801,396 1.706,397 3.142,398 2.679,399 4.714,400 2.689,401 1.789,402 2.373,404 4.868,405 1.596,406 2.996,407 2.47,408 4.561,409 2.56,410 1.613,411 2.121,413 4.364,414 1.505,415 2.877,416 1.975,417 4.135,418 2.396,419 1.421,420 2.043,422 3.419,423 1.376,424 2.765,425 1.727,426 4.035,427 2.362,428 1.398,429 1.852,431 3.383,432 1.341,433 2.712,434 1.555,435 3.671,436 2.239,437 1.256,438 1.807,440 3.03,441 1.228,442 2.572,443 1.427,444 3.515,445 2.046,446 1.124,447 1.6,449 2.649,450 1.022,451 2.5,452 1.245,453 3.451,454 1.984,455 1,456 1.5,458 2.34,459 0.983,460 2.45,461 1.065,462 3.39,463 1.971,464 1,465 1.428,467 2.136,468 0.968,469 18.048,470 0.501,471 0.76,472 0.021,473 53,474 1.472,475 29,476 0.806,477 24,478 0.667,479 30.275,480 0.841,481 35.352,482 0.655,483 40.916,484 1.137,485 10.249,486 0.285,487 7.421,488 0.206,489 0.058,491 0.321,496 0.696,497 1.092,498 0.596,499 0.797,500 0.54,501 0.758,502 0.83,503 1.115,504 0.846,505 0.975,506 0.665,507 0.876,508 1.153,509 1.111,510 1.061,511 1.035,512 1.143,513 0.945,514 1.097,515 1.107,516 1.136,517 1.094,518 1.012,519 0.971,520 0.948,521 0.81,522 0.829,523 0.895,524 1.328,525 0.897,526 0.951,527 1.101,528 1.146,529 1.213,530 1.27,531 1.097,532 1.446,533 1.075,534 1.313,535 1.154,536 1.432,537 1.077,538 0.914,539 1.18,540 0.836,541 0.946,542 0.853,543 0.972,544 5.5,545 0.261,546 3.778,547 2.479,548 2.387,549 1.174,550 0.72,551 0.431,552 0.381,553 0.341,554 20037,555 61565,556 2.203,557 33.3,559 15,560 1,561 2,567 1.78,568 2.118,569 3.483,570 -0.717,575 97.884,576 1.813,577 3.767,578 4.717,579 5.422,580 5.533,581 5.533,582 2.756,583 4.496,584 5.147,585 3.674,586 2314.84,587 9.074,588 36575.5,593 310.764,594 1.194,595 5.125,596 0.134,597 0.006,598 0.065,599 0.042,600 0.04,601 0.018,602 0.012,603 0.009,604 0.008,605 0.007,606 0.342,607 0.17,608 0.75,609 0.375,610 194.217,611 0.004,612 -0.096,613 0.042,614 -0.004,615 -0.009,616 -0.001,617 0.027,618 -0.067,619 -0.016,620 -0.058,621 -0.027,622 -0.052,623 -0.119,624 -0.084,625 -0.041,626 -0.013,627 -0.142,628 -0.02,629 -0.165,630 -0.015,631 -0.145,632 -0.077,633 -0.05,634 -0.054,635 0.167,636 0.234,637 0.113,638 0.096,639 0.066,640 0.007,641 0.07,642 -0.101,643 0.007,644 -0.066,645 0.094,646 -0.082,647 -0.247,648 -0.086,649 -0.14,650 -0.06,651 -0.217,652 -0.047,653 0.148,654 -0.201,655 0.018,656 -0.075,657 0.143,658 -0.003,659 1.741,660 6.682,661 0.833,662 34.664,663 1.015,664 1.104,665 4.143,666 17.163,667 0.767,668 3.738,669 4.078,670 4.407,671 4.736,672 4.99,673 5.106,674 5.273,675 5.425,676 5.521,677 5.557,678 7.27,679 0.73,680 532.08,681 3.738,682 5.293,683 6.168,684 7.064,685 7.958,686 8.863,687 9.765,688 10.673,689 11.58,690 12.49,691 9.3,698 1,699 1,701 3,709 14,710 3,712 1,714 9,715 1,716 28,737 1,738 54,739 29,740 2,741 41,743 59,744 26,745 23,746 5,747 7,752 6,753 9,754 1,768 24,769 2,772 1,778 1,782 1,788 1,789 18,790 6,792 10,793 3,797 5,803 0.667,804 2,816 1,822 2,823 4,827 2,839 1,855 4,856 2,857 2,860 1,862 36,869 2,873 2,875 1,883 1,885 1,886 3.7,889 1,891 1,893 17,894 9.976,895 7.806,896 3.083,898 4.302,899 1.499,900 1.043,901 6.591,902 12.923,903 4.043,904 4.663,905 5.26,906 5.867,907 6.345,908 6.618,909 7.048,910 7.469,911 7.78,912 8.009,913 1,914 59,915 13.279,917 5.773,918 7.693,919 25.308,921 21.141,924 2.193,925 78.944,929 211.88,930 229.993,931 55.135,932 39.149,933 34.652,935 64.439,936 165.554,937 285.681,938 55.135,940 6.13,941 115.978,942 105.831,943 45.496,944 17.22,945 241.006,946 39.149,947 211.88,948 220.689,949 34.652,950 103.588,952 211.88,953 34.652,956 29.145,957 141.433,958 89.26,959 64.439,960 211.88,961 89.787,962 269.142,965 211.88,966 95.92,967 139.096,969 123.912,970 211.88,971 89.787,972 269.142,973 0.58,974 0.346,975 0.202,976 0.114,977 30,978 12,979 0.102,980 6,981 2,982 1.133,983 4.625,984 369.962,985 0.133,986 30,987 180.117,989 2,993 23.377,994 10.15,995 4.73,997 87.888,998 26.083,999 12.924,1001 5.575,1003 7.168,1004 1.955,1006 570.809,1007 56,1013 13.682,1017 -0.075,1020 54.825,1021 59.601,1022 0.315,1023 0.655,1024 0.82,1025 0.942,1026 0.961,1027 0.961,1028 5.278,1029 1.789,1030 6.146,1031 5.801,1032 4.762,1033 5.352,1034 3.851,1035 6.987,1036 4.633,1037 6.485,1038 1.613,1039 7.715,1040 4.868,1041 4.29,1042 5.037,1043 1.668,1044 7.943,1045 4.062,1046 7.791,1047 1.421,1048 9.388,1049 4.364,1050 6.372,1051 7.532,1052 6.03,1053 11.105,1054 6.118,1055 9.134,1056 1.398,1057 11.126,1058 3.419,1059 6.781,1060 8.082,1061 3.583,1062 12.948,1063 6.431,1064 10.511,1065 1.256,1066 12.909,1067 3.383,1068 8.288,1069 9.985,1070 8.33,1071 15.624,1072 7.905,1073 11.912,1074 1.124,1075 14.721,1076 3.03,1077 9.105,1078 10.948,1079 5.95,1080 17.825,1081 8.628,1082 13.332,1083 1,1084 16.557,1085 2.649,1086 10.391,1087 12.594,1088 10.664,1089 20.347,1090 9.869,1091 3.293,1092 1,1093 18.409,1094 2.34,1095 11.401,1096 13.771,1097 8.51,1098 22.697,1099 10.788,1100 3.156,1101 11.877,1102 20.275,1103 2.136,1104 12.604,1105 15.297,1106 13.015,1107 25.169,1108 11.935,1109 2.611,1110 10.932,1111 22.151,1112 4.207,1113 13.702,1114 16.586,1115 11.099,1116 27.58,1117 12.947,1118 2.549,1119 8.484,1120 24.037,1121 4.135,1122 14.879,1123 18.055,1124 15.378,1125 30.038,1126 14.06,1127 2.467,1128 7.805,1129 25.929,1130 3.661,1131 16.017,1132 19.404,1133 13.673,1134 32.474,1135 15.117,1136 2.359,1137 7.527,1138 27.828,1139 3.484,1140 17.188,1141 20.847,1142 17.751,1143 34.93,1144 16.219,1145 2.076,1146 6.896,1147 29.731,1148 3.335,1149 18.346,1150 22.229,1151 16.229,1152 37.379,1153 17.299,1154 18222,1155 32159,1156 28.433,1157 41.421,1158 62.465,1159 67.509,1160 62.675,1161 61.899,1162 61.643,1163 83.098,1164 18.305,1165 179.189,1166 57.605,1167 5.482,1168 6.612,1169 6.782,1170 5.392,1171 5.293,1172 7.207,1173 6.686,1174 19.411,1175 5.07,1176 11.145,1177 1.524,1178 1.647,1179 1.529,1180 1.51,1181 1.503,1182 2.027,1183 0.446,1184 4.37,1185 1.405,1186 4.057,1187 4.091,1188 4.19,1189 4,1190 7.427,1191 3.976,1192 3.996,1193 4.023,1194 4.081,1195 3.869,1196 5.121,1197 3.882,1198 3.851,1199 3.871,1200 3.854,1201 3.719,1202 5.025,1203 3.729,1204 3.763,1205 3.787,1206 3.807,1207 3.713,1208 4.939,1209 3.709,1210 3.67,1211 3.718,1212 3.771,1213 3.539,1214 4.836,1215 3.516,1216 3.467,1217 3.494,1218 3.484,1219 3.272,1220 4.715,1221 3.292,1222 3.014,1223 3.049,1224 3.469,1225 3.044,1226 4.274,1227 2.952,1228 2.942,1229 3.014,1230 3.135,1231 2.854,1232 3.855,1233 2.817,1234 0.111,1235 0.112,1236 0.17,1237 0.103,1238 0.08,1239 4.56,1240 0.103,1241 4.612,1242 0.082,1243 6.98,1244 0.29,1245 4.227,1246 0.075,1247 3.293,1248 4.207,1249 3.36,1250 11.877,1251 3.07,1252 1.977,1253 1.962,1254 2.015,1255 2.046,1256 1.202,1257 2.054,1258 1.858,1259 1.822,1260 1.953,1261 1.992,1262 1.082,1263 1.983,1264 1.768,1265 1.745,1266 1.869,1267 1.835,1268 0.975,1269 1.854,1270 1.622,1271 1.583,1272 1.758,1273 1.804,1274 0.915,1275 1.794,1276 1.456,1277 1.431,1278 1.588,1279 1.611,1280 0.823,1281 1.621,1282 1.381,1283 1.35,1284 1.539,1285 1.586,1286 0.611,1287 1.584,1288 1.107,1289 1.085,1290 1.19,1291 1.365,1292 0.306,1293 1.315,1294 1.044,1295 0.99,1296 1.181,1297 1.347,1298 0.242,1299 1.276,1300 4.419,1302 5.753,1303 3.045,1304 7.284,1305 5.283,1306 8.913,1307 7.273,1308 10.599,1311 6.309,1315 0.605,1319 2.972,1321 1.747,1326 39.426,1327 97.884,1328 203.407,1329 254.71,1330 292.764,1331 298.764,1332 298.764,1333 54.038,1334 8.621,1335 78.74,1336 132.28,1337 34,1338 13.006,1339 4.907,1340 4,1341 48.788,1342 161,1343 142,1344 0.147,1345 247.386,1346 417.55,1347 595.382,1348 77149,1349 1.9,1350 24.485,1351 0.68,1352 0.587,1353 25.692,1354 21.133,1355 17.67,1356 0.431,1357 0.323,1358 11.104,1359 15.896,1360 10.699,1361 8.792,1362 18.821,1363 13.234,1364 15.868,1365 0.274,1366 0.179,1367 17.469,1368 10.37,1369 13.884,1370 0.171,1371 0.098,1372 15.706,1373 7.928,1374 12.196,1375 0.108,1376 0.053,1377 14.006,1378 5.99,1379 10.117,1380 0.069,1381 0.032,1382 12.381,1383 4.639,1384 0.229,1385 121.749,1386 0.188,1387 32.535,1388 0.409,1389 198,1390 597.621,1391 279.063,1392 651.358,1393 894.45,1394 612,1395 238,1396 622.984,1397 311.019,1398 664.973,1399 980.71,1400 627,1401 4.564}
{0 CHEMBL1338304,1 1.933,2 13.161,3 3.135,4 9.829,5 117.898,6 9.019,7 0.364,8 4.092,9 4.178,10 4.042,11 3.696,12 5.148,13 3.63,14 4.681,15 4.826,16 4.354,17 4.081,18 6.068,19 4.013,20 4.973,21 5.149,22 4.46,23 4.245,24 6.3,25 4.15,26 5.043,27 5.238,28 4.328,29 4.162,30 6.381,31 4.084,32 4.887,33 5.085,34 4.25,35 4.041,36 6.161,37 3.97,38 4.71,39 4.864,40 4.213,41 4.01,42 6.236,43 3.919,44 4.737,45 4.941,46 3.997,47 3.94,48 5.908,49 3.813,50 4.554,51 4.744,52 3.898,53 3.769,54 5.967,55 3.656,56 0.18,57 0.848,58 13.074,59 5.859,60 33.735,61 6.085,62 0.663,63 1.355,64 24.197,65 9.548,66 100.569,67 10.966,68 0.929,69 1.656,70 43.681,71 13.932,72 121.455,73 15.156,74 1.154,75 1.602,76 46.059,77 13.686,78 172.008,79 14.593,80 1.019,81 1.366,82 39.358,83 10.936,84 155.68,85 12.211,86 0.903,87 1.211,88 29.563,89 10.453,90 135.892,91 11.837,92 0.757,93 1.152,94 33.053,95 10.363,96 112.263,97 12.076,98 0.748,99 1.011,100 29.967,101 8.484,102 108.698,103 9.801,104 67,105 49,106 0.319,107 0.628,108 0.785,109 0.816,110 0.816,111 0.816,112 3.471,113 1.198,114 -2.88,115 -2.89,116 -2.79,120 35.2,121 2,122 2,123 1,126 3,143 4,145 3,146 1,147 1,151 1,159 1,174 5,176 5,177 2,180 1,182 2,185 5,188 5,189 11,192 1,194 2,197 2,201 16,206 1,213 1,214 6,217 1,222 4,226 2,227 6,230 5,235 8,240 3,245 1,247 7,251 3,252 6,257 2,260 2,263 3,264 4,269 1,271 2,274 1564,275 19.891,276 19.891,277 19.891,278 19.891,279 19.891,280 17.796,281 22.025,282 11.106,283 20.782,284 16.093,285 16.093,286 16.093,287 16.093,288 16.093,289 12.648,290 25.047,291 5.107,292 17.448,293 3.822,294 1.946,295 0.991,296 0.806,297 0.806,298 0.806,299 4.142,303 1,307 1,308 851,309 4.528,313 354.083,320 1.973,321 61.105,324 1,325 0.67,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.83,332 69.333,333 408,334 4.931,335 5.244,336 7.666,337 4.434,338 3.512,339 4.758,340 2.95,341 13.611,342 3.215,343 4.851,344 4.725,345 7.292,346 4.235,347 3.384,348 4.707,349 1.058,350 12.375,351 2.895,352 4.3,353 3.623,354 6.397,355 3.883,356 2.936,357 3.89,358 0.4,359 9.691,360 2.722,361 3.906,362 2.957,363 5.632,364 3.503,365 2.536,366 3.452,368 7.289,369 2.448,370 3.483,371 2.709,372 5.365,373 3.378,374 2.402,375 2.695,377 6.646,378 2.342,379 3.381,380 2.692,381 5.005,382 2.951,383 1.997,384 2.483,386 5.745,387 1.865,388 3.12,389 2.487,390 4.859,391 2.748,392 1.795,393 2.306,395 5.122,396 1.683,397 3.051,398 2.121,399 4.739,400 2.48,401 1.615,402 2.223,404 4.718,405 1.347,406 2.652,407 1.448,408 4.22,409 2.29,410 1.326,411 1.625,413 3.738,414 1.269,415 2.536,416 1.444,417 3.798,418 2,419 1.012,420 1.5,422 2.671,423 1,424 2.5,425 1.117,426 3.414,427 1.984,428 1,429 1.485,431 2.275,432 0.983,433 2,434 1.077,435 3.414,436 1.968,437 1,438 1,440 2.275,441 0.959,442 1.541,443 1,444 3.191,445 1.353,446 0.398,447 0.433,449 0.539,450 0.37,451 1.311,452 0.621,453 3.002,454 0.928,455 0.01,456 0.013,458 0.025,459 0.008,460 1.235,461 0.447,462 2.74,463 0.764,464 -0.179,465 -0.209,467 -0.408,468 -0.146,469 15.148,470 0.489,471 1.131,472 0.036,473 40,474 1.29,475 20,476 0.645,477 20,478 0.645,479 28.337,480 0.914,481 35.252,482 0.653,483 33.84,484 1.092,485 6.963,486 0.225,487 7.578,488 0.244,489 0.223,490 0.11,491 0.257,496 0.484,497 1.517,498 0.757,499 1.318,500 0.625,501 0.998,502 0.562,503 1.193,504 0.756,505 0.987,506 0.538,507 0.915,508 0.826,509 1.134,510 1.084,511 1.177,512 0.792,513 1.004,514 1.321,515 1.012,516 0.984,517 0.971,518 1.327,519 0.93,520 1.309,521 0.787,522 0.766,523 0.711,524 1.389,525 0.801,526 0.614,527 1.056,528 0.985,529 1.108,530 0.663,531 1.119,532 1.138,533 0.949,534 1.044,535 0.874,536 1.078,537 1.038,538 0.943,539 0.993,540 1.233,541 1.046,542 0.746,543 1.067,544 9.5,545 0.219,546 5.778,547 2.813,548 1.898,549 1.639,550 0.689,551 0.55,552 0.361,553 0.306,554 12763,555 43964,556 1.942,557 42.6,558 4,559 10,561 1,562 1,564 7,567 1.733,568 1.755,569 3.639,570 -0.201,572 1,575 104.402,576 1.933,577 3.809,578 4.764,579 4.949,580 4.949,581 4.949,582 3.1,583 4.414,584 4.927,585 3.825,586 1778.67,587 8.586,588 25878.4,593 310.764,594 1.789,595 4.832,596 0.288,597 0.008,598 0.118,599 0.053,600 0.041,601 0.04,602 0.017,603 0.018,604 0.012,605 0.011,606 0.607,607 0.33,608 0.75,609 0.984,610 162.799,611 0.087,612 -0.226,613 0.193,614 -0.107,615 -0.108,616 0.007,617 0.23,618 -0.052,619 0.103,620 0.021,621 0.216,622 0.042,623 0.077,624 -0.059,625 -0.037,626 -0.088,627 0.087,628 -0.014,629 -0.191,630 -0.05,631 -0.051,632 -0.01,633 -0.124,634 0.023,635 -0.195,636 0.159,637 0.079,638 0.161,639 -0.223,640 0.134,641 0.314,642 -0.039,643 -0.032,644 -0.128,645 0.255,646 -0.14,647 -0.186,648 -0.047,649 -0.064,650 0.022,651 -0.171,652 -0.044,653 0.026,654 -0.007,655 -0.143,656 -0.069,657 0.135,658 -0.086,659 4.629,660 5.801,661 0.581,662 31.886,663 1.025,664 1.129,665 1.653,666 2.731,667 0.686,668 3.526,669 3.912,670 4.143,671 4.277,672 4.489,673 4.585,674 4.564,675 4.543,676 4.554,677 4.682,678 7.59,679 0.651,680 487.05,681 3.526,682 5.106,683 5.958,684 6.851,685 7.723,686 8.616,687 9.493,688 10.387,689 11.265,690 12.161,691 7.4,694 1,698 1,701 2,709 5,710 2,714 5,716 12,723 1,737 1,738 54,739 17,740 1,741 33,743 56,744 19,745 10,746 2,747 4,748 1,752 3,753 3,754 1,759 2,763 2,764 1,766 2,768 11,769 8,770 1,772 5,776 2,778 5,782 1,789 23,790 9,791 1,792 12,793 3,797 4,803 1,804 5,817 1,823 3,855 3,857 2,859 2,860 1,862 31,865 1,866 1,869 5,871 1,874 1,875 1,885 1,886 9.3,889 5,893 17.667,894 10.16,895 6.681,896 3.361,898 2.453,899 1.332,900 0.966,901 7.142,902 9.847,903 3.807,904 4.454,905 4.909,906 5.329,907 5.825,908 6.118,909 6.298,910 6.397,911 6.516,912 6.909,913 0.889,914 53,915 12.058,917 5.8,918 8.219,919 21.512,921 18.224,924 2.719,925 84.278,929 258.964,930 102.599,931 53.1,932 39.149,933 113.771,935 11.853,936 90.746,937 411.884,938 53.1,939 17.65,940 28.191,941 49.758,942 163.818,943 21.131,944 0.693,945 247.193,946 39.149,947 258.964,948 143.846,949 113.771,950 51.002,952 176.567,953 196.169,956 59.857,957 50.418,958 84.573,960 258.964,961 166.871,962 141.748,964 11.853,965 258.964,966 26.143,967 66.121,968 18.011,969 186.491,970 258.964,971 166.871,972 141.748,973 0.605,974 0.355,975 0.16,976 0.085,977 23,978 12,979 0.107,980 6,982 1,983 4.041,984 272.742,986 18,987 141.58,992 2,993 23.773,994 9.313,995 5.307,997 166.871,998 6.794,999 7.466,1003 -0.432,1005 18.011,1006 567.583,1007 44,1011 -7.315,1013 62.086,1017 -0.736,1020 55.356,1021 60.976,1022 0.336,1023 0.662,1024 0.828,1025 0.86,1026 0.86,1027 0.86,1028 5.088,1029 1.615,1030 6.033,1031 5.122,1032 4.595,1033 5.142,1034 3.043,1035 6.94,1036 4.44,1037 6.364,1038 1.326,1039 7.682,1040 4.718,1041 4.575,1042 5.466,1044 8.367,1045 4.277,1046 7.759,1047 1.012,1048 9.452,1049 3.738,1050 6.375,1051 7.541,1052 5.044,1053 11.383,1054 6.031,1055 9.198,1056 1,1057 11.295,1058 2.671,1059 7.124,1060 8.639,1062 13.591,1063 6.617,1064 10.674,1065 1,1066 13.186,1067 2.275,1068 8.515,1069 10.336,1070 7.187,1071 16.275,1072 7.949,1073 12.176,1074 0.398,1075 15.11,1076 2.275,1077 9.559,1078 11.712,1080 18.733,1081 8.839,1082 13.697,1083 0.01,1084 17.058,1085 0.539,1086 10.829,1087 13.303,1088 9.348,1089 21.339,1090 10.03,1091 3.512,1092 -0.179,1093 19.022,1094 0.025,1095 11.987,1096 14.781,1098 23.878,1099 11.052,1100 3.384,1101 13.611,1102 21,1103 -0.408,1104 13.224,1105 16.341,1106 11.511,1107 26.466,1108 12.197,1109 2.936,1110 12.375,1111 22.987,1112 4.758,1113 14.427,1114 17.86,1116 29.036,1117 13.279,1118 2.536,1119 9.691,1120 24.981,1121 4.707,1122 15.658,1123 19.412,1124 13.675,1125 31.622,1126 14.412,1127 2.402,1128 7.289,1129 26.982,1130 3.89,1131 16.88,1132 20.948,1134 34.204,1135 15.525,1136 1.997,1137 6.646,1138 28.986,1139 3.452,1140 18.112,1141 22.499,1142 15.838,1143 36.794,1144 16.659,1145 1.795,1146 5.745,1147 30.995,1148 2.695,1149 19.343,1150 24.044,1152 39.382,1153 17.788,1154 12614,1155 23754,1156 20.572,1157 37.063,1158 49.836,1159 54.324,1160 52.84,1161 50.068,1162 49.846,1163 65.141,1164 8.817,1165 153.44,1166 46.21,1167 5.931,1168 7.244,1169 7.08,1170 5.522,1171 5.512,1172 7.758,1173 5.9,1174 21.571,1175 5.215,1176 20.875,1177 1.51,1178 1.646,1179 1.601,1180 1.517,1181 1.51,1182 1.974,1183 0.267,1184 4.65,1185 1.4,1186 4.115,1187 4.106,1188 4.749,1189 4.087,1190 7.718,1191 4.003,1192 4.047,1193 4.022,1194 4.732,1195 4.031,1196 7.711,1197 3.917,1198 3.829,1199 3.877,1200 3.961,1201 3.714,1202 7.429,1203 3.703,1204 3.71,1205 3.71,1206 3.736,1207 3.611,1208 6.999,1209 3.58,1210 3.573,1211 3.573,1212 3.634,1213 3.488,1214 6.999,1215 3.423,1216 3.232,1217 3.289,1218 3.272,1219 2.997,1220 5.022,1221 3.01,1222 3.13,1223 3.206,1224 3.074,1225 2.941,1226 4.709,1227 2.91,1228 3.111,1229 3.188,1230 2.918,1231 2.933,1232 4.439,1233 2.903,1234 0.149,1235 0.159,1236 0.232,1237 0.134,1238 0.106,1239 4.931,1240 0.144,1241 5.244,1242 0.089,1243 7.666,1244 0.412,1245 4.434,1246 0.097,1247 3.512,1248 4.758,1249 2.95,1250 13.611,1251 3.215,1252 1.983,1253 1.986,1254 2.065,1255 2.083,1256 1.445,1257 2.115,1258 1.887,1259 1.906,1260 1.98,1261 2.015,1262 1.203,1263 2.04,1264 1.823,1265 1.773,1266 1.83,1267 1.949,1268 1.16,1269 1.977,1270 1.606,1271 1.599,1272 1.721,1273 1.755,1274 0.825,1275 1.778,1276 1.436,1277 1.447,1278 1.574,1279 1.612,1280 0.815,1281 1.647,1282 1.155,1283 1.094,1284 1.513,1285 1.424,1286 0.772,1287 1.432,1288 1.153,1289 1.064,1290 1.265,1291 1.376,1292 0.502,1293 1.429,1294 1.082,1295 1.027,1296 1.181,1297 1.299,1298 0.409,1299 1.352,1300 4.205,1302 5.572,1304 7.135,1306 8.775,1308 10.454,1310 3.541,1311 5.966,1315 2.39,1317 2.543,1320 0.505,1321 1.469,1326 35.129,1327 104.402,1328 205.667,1329 257.254,1330 267.254,1331 267.254,1332 267.254,1333 105.515,1334 7.394,1335 126.4,1336 143.16,1337 18,1338 12.689,1339 4.17,1340 3.585,1341 58.53,1342 144,1343 141,1344 0.2,1345 228.106,1346 400.08,1347 548.339,1348 16368,1349 1.9,1350 22.811,1351 0.736,1352 0.628,1353 23.811,1354 19.466,1355 14.541,1356 0.441,1357 0.399,1358 9.869,1359 12.076,1360 9.317,1361 7.713,1362 16.439,1363 13.182,1364 14.202,1365 0.29,1366 0.242,1367 17.267,1368 11.835,1369 11.677,1370 0.188,1371 0.142,1372 14.516,1373 8.79,1374 8.329,1375 0.117,1376 0.076,1377 10.331,1378 5.412,1379 6.415,1380 0.073,1381 0.047,1382 8.172,1383 4.123,1384 0.321,1385 110.919,1386 0.22,1387 29.356,1388 0.533,1389 164,1390 579.87,1391 275.64,1392 621.494,1393 811.11,1394 564,1395 193,1396 506.136,1397 313.16,1398 587.555,1399 859.5,1400 548,1401 5.394}
{0 CHEMBL1338578,1 1.44,2 9.333,3 3.098,4 9.599,5 73.744,6 7.447,7 0.632,8 3.54,9 3.651,10 3.1,11 3.139,12 4.746,13 3.107,14 3.955,15 4.116,16 3.359,17 3.437,18 5.114,19 3.382,20 4.144,21 4.338,22 3.326,23 3.482,24 5.275,25 3.4,26 4.142,27 4.374,28 3.086,29 3.325,30 5.259,31 3.209,32 3.972,33 4.23,34 2.912,35 3.146,36 4.968,37 3.031,38 3.758,39 3.982,40 2.913,41 3.012,42 4.903,43 2.931,44 3.714,45 3.912,46 2.84,47 2.957,48 4.903,49 2.895,50 3.682,51 3.91,52 2.745,53 2.946,54 4.749,55 2.849,56 0.027,57 0.426,58 6.151,59 2.828,60 7.363,61 3.626,62 0.067,63 0.652,64 10.051,65 4.311,66 11.359,67 5.748,68 0.087,69 0.753,70 13.052,71 5.175,72 19.635,73 6.943,74 0.188,75 0.714,76 14.175,77 5.212,78 32.663,79 7.051,80 0.115,81 0.597,82 12.283,83 4.524,84 21.373,85 6.253,86 0.109,87 0.495,88 9.341,89 3.518,90 17.715,91 4.867,92 0.121,93 0.463,94 9.011,95 3.144,96 22.87,97 3.982,98 0.084,99 0.455,100 8.75,101 3.288,102 17.043,103 4.464,104 5,105 24,106 0.269,107 0.597,108 0.768,109 0.859,110 0.859,111 0.859,112 2.958,113 0.895,114 -3.96,115 -3.92,116 -3.71,120 46.9,121 1,136 1,139 1,143 7,144 2,146 1,148 1,155 1,174 9,176 1,177 4,182 2,185 10,189 2,194 2,197 7,201 3,204 1,206 2,209 4,214 2,219 1,222 2,227 3,230 1,232 2,235 3,240 3,245 1,247 3,252 3,257 1,260 5,264 1,271 5,274 368,275 12.19,276 12.19,277 12.19,278 12.19,279 12.19,280 10.259,281 11.434,282 7.53,283 12.357,284 9.377,285 9.377,286 9.377,287 9.377,288 9.377,289 6.678,290 12.937,291 3.603,292 9.661,293 3.56,294 1.801,295 0.888,296 0.399,297 0.399,298 0.399,299 3.618,305 1,306 1,307 1,308 351,309 2.739,313 130.569,320 1.444,321 12.028,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 38,333 168,334 4.205,335 2.948,336 6.026,337 3.795,338 2.813,339 3.789,340 0.6,341 8.571,342 2.761,343 3.941,344 2.709,345 5.34,346 3.461,347 2.519,348 3.509,350 6.965,351 2.372,352 3.686,353 2.493,354 5.022,355 3.271,356 2.282,357 3.079,359 6.019,360 2.253,361 3.138,362 1.846,363 4.176,364 2.601,365 1.627,366 2.335,368 3.867,369 1.581,370 2.894,371 1.552,372 3.645,373 2.392,374 1.414,375 2.014,377 3.137,378 1.379,379 2.5,380 1.235,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.5,389 1,390 3.247,391 1.959,392 1,393 1.5,395 2.136,396 0.956,397 2.451,398 1,399 3.185,400 1.821,401 0.883,402 1.256,404 1.939,405 0.823,406 1.243,407 0.147,408 2.517,409 0.885,410 -0.083,411 -0.104,413 -0.189,414 -0.08,415 0.937,416 0.046,417 2,418 0.652,419 -0.304,420 -0.359,422 -0.647,423 -0.289,424 0.669,425 -0.54,426 1.917,427 0.115,428 -0.819,429 -1.211,431 -1.742,432 -0.76,433 0.5,434 -0.947,435 1.562,437 -1,438 -1.413,440 -2.347,441 -0.972,442 0.5,443 -1,444 1.555,445 -0.025,446 -1,447 -1.5,449 -2.942,450 -1,451 -0.038,452 -1,453 1.309,454 -0.257,455 -1.226,456 -1.5,458 -3,459 -1.174,460 -0.048,461 -1.282,462 1,463 -0.466,464 -1.414,465 -1.931,467 -3.453,468 -1.356,469 8.633,470 0.48,471 0.332,472 0.018,473 26.25,474 1.458,475 15.5,476 0.861,477 10.75,478 0.597,479 9.772,480 0.543,481 18.367,482 0.574,483 16.017,484 0.89,485 5.496,486 0.305,487 3.258,488 0.181,489 0.097,491 0.232,496 0.922,497 1.137,498 0.817,499 0.966,500 0.997,501 0.899,502 0.722,503 1.084,504 0.881,505 1.038,506 0.659,507 0.985,508 1.082,509 1.177,510 1.064,511 1.139,512 0.99,513 1.103,514 1.281,515 1.017,516 1.138,517 1.058,518 1.355,519 1.082,520 1.136,521 0.888,522 0.917,523 0.873,524 1.191,525 0.871,526 0.85,527 1.038,528 0.857,529 0.997,530 0.826,531 0.938,532 2.087,533 0.986,534 1.188,535 0.92,536 2.126,537 0.952,538 1.217,539 0.978,540 0.994,541 0.922,542 1.195,543 0.933,544 3,545 0.049,546 1.778,547 0.688,548 0.453,549 0.354,550 0.243,551 0.141,552 0.045,553 0.063,554 3103,555 8119,556 2.026,557 43.8,558 3,559 8,561 2,562 1,567 1.578,568 1.929,569 3.225,570 -0.334,572 1,574 1,575 46.094,576 1.44,577 3.199,578 4.112,579 4.601,580 4.601,581 4.601,582 2.711,583 3.392,584 4.144,585 3.34,586 510.998,587 6.99,588 5060.88,589 1,590 1,592 1,593 160,594 1.224,595 4.116,596 0.158,597 0.008,598 0.074,599 0.031,600 0.028,601 0.025,602 0.017,603 0.011,604 0.004,605 0.007,606 0.364,607 1,608 1,609 0.584,610 78.658,611 -0.074,612 -0.086,613 0.012,614 0.011,615 -0.158,616 0.016,617 0.06,618 -0.034,619 -0.007,620 -0.079,621 0.045,622 -0.057,623 -0.085,624 -0.174,625 -0.132,626 -0.185,627 -0.018,628 -0.166,629 -0.009,630 -0.062,631 -0.132,632 -0.103,633 -0.044,634 -0.129,635 -0.054,636 0.044,637 0.104,638 0.1,639 -0.077,640 0.119,641 0.239,642 -0.062,643 0.13,644 -0.041,645 0.248,646 0.021,647 -0.321,648 0.002,649 -0.169,650 0.014,651 -0.289,652 -0.049,653 -0.12,654 -0.015,655 -0.006,656 0.042,657 -0.081,658 0.031,659 1.477,660 3.839,661 0.667,662 12.889,663 0.995,664 1.116,665 2.733,666 7.467,667 0.689,668 2.996,669 3.219,670 3.367,671 3.466,672 3.611,673 3.434,674 3.296,675 3.219,676 3.219,677 3.296,678 5.521,679 0.654,680 238.31,681 2.996,682 4.466,683 5.252,684 6.061,685 6.862,686 7.674,687 8.478,688 9.291,689 10.097,690 10.911,691 6.3,700 1,701 1,709 8,710 1,714 3,716 12,738 32,739 14,740 1,741 19,743 33,744 15,745 11,746 2,747 4,748 3,752 2,753 2,759 1,768 14,769 1,772 2,780 2,781 1,782 1,786 1,789 14,790 3,791 1,792 3,797 2,803 1,804 1,816 1,823 2,834 1,845 2,853 1,855 2,859 1,862 18,868 1,886 3.1,888 1,893 9.333,894 5.933,895 4.111,896 1.763,898 3.21,899 1.545,900 0.936,901 4.002,902 9.105,903 3.332,904 3.871,905 4.382,906 4.856,907 5.361,908 5.377,909 5.617,910 5.883,911 6.242,912 6.62,913 1,914 22,915 6.581,917 2.627,918 7.759,919 12.44,921 9.461,924 2.259,925 40.667,926 0.001,929 153.024,930 111.429,931 33.571,933 42.683,936 111.429,937 195.708,938 33.571,939 8.825,941 75.81,942 92.058,943 32.204,944 2.328,945 129.482,947 153.024,948 145,949 42.683,952 153.024,953 42.683,956 34.658,957 75.033,958 35.309,960 153.024,961 76.254,962 111.429,965 153.024,966 8.699,967 102.73,969 76.254,970 153.024,971 76.254,972 111.429,973 0.561,974 0.311,975 0.151,976 0.081,977 10,978 4,979 0.091,980 3,982 1,983 3.195,984 114.017,986 12,987 71.059,993 12.217,994 5.897,995 3.637,997 76.254,998 14.821,999 4.051,1003 2.548,1005 42.683,1006 340.708,1007 27,1015 3.094,1016 4.117,1017 0.19,1020 31.833,1021 35.697,1022 0.288,1023 0.64,1024 0.822,1025 0.92,1026 0.92,1027 0.92,1028 4.489,1029 0.883,1030 5.176,1031 2.136,1032 3.892,1033 4.554,1034 0.542,1035 5.838,1036 3.834,1037 5.672,1038 -0.083,1039 6.645,1040 1.939,1041 3.219,1042 3.98,1044 6.447,1045 3.121,1046 6.932,1047 -0.304,1048 8.212,1049 -0.189,1050 5.342,1051 6.659,1052 0.23,1053 9.453,1054 5.231,1055 8.227,1056 -0.819,1057 9.838,1058 -0.647,1059 5.485,1060 6.879,1062 10.914,1063 5.329,1064 9.55,1065 -1,1066 11.502,1067 -1.742,1068 7.045,1069 8.988,1070 0.089,1071 13.387,1072 6.881,1073 10.892,1074 -1,1075 13.194,1076 -2.347,1077 7.588,1078 9.62,1080 15.207,1081 7.384,1082 12.249,1083 -1.226,1084 14.904,1085 -2.942,1086 8.879,1087 11.427,1088 0.033,1089 17.48,1090 8.666,1091 2.813,1092 -1.414,1093 16.63,1094 -3,1095 9.635,1096 12.302,1098 19.466,1099 9.389,1100 2.519,1101 8.571,1102 18.366,1103 -3.453,1104 10.789,1105 13.929,1106 0.012,1107 21.659,1108 10.532,1109 2.282,1110 6.965,1111 20.111,1112 3.789,1113 11.662,1114 14.958,1116 23.726,1117 11.378,1118 1.627,1119 6.019,1120 21.863,1121 3.509,1122 12.747,1123 16.472,1124 0.004,1125 25.887,1126 12.45,1127 1.414,1128 3.867,1129 23.621,1130 3.079,1131 13.685,1132 17.602,1134 27.993,1135 13.367,1136 1,1137 3.137,1138 25.383,1139 2.335,1140 14.736,1141 19.045,1142 0.002,1143 30.143,1144 14.404,1145 1,1146 2.275,1147 27.15,1148 2.014,1149 15.711,1150 20.241,1152 32.269,1153 15.361,1154 3095,1155 5102,1156 12.712,1157 22.034,1158 27.894,1159 27.176,1160 27.688,1161 27.103,1162 27.075,1163 37.965,1164 1.2,1165 69.814,1166 26.251,1167 4.809,1168 4.948,1169 5.828,1170 4.835,1171 4.813,1172 6.789,1173 1.2,1174 14.47,1175 4.761,1176 7.189,1177 1.468,1178 1.43,1179 1.457,1180 1.426,1181 1.425,1182 1.998,1183 0.063,1184 3.674,1185 1.382,1186 3.958,1187 3.987,1188 3.9,1189 3.897,1190 6.469,1191 3.893,1192 3.855,1193 3.899,1194 3.797,1195 3.742,1196 4.979,1197 3.75,1198 3.525,1199 3.565,1200 3.442,1201 3.407,1202 4.725,1203 3.41,1204 3.16,1205 3.236,1206 3.031,1207 3.001,1208 4.467,1209 2.995,1210 2.919,1211 2.984,1212 2.746,1213 2.741,1214 3.896,1215 2.732,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.824,1221 2.715,1222 2.774,1223 2.856,1224 2.626,1225 2.564,1226 3.674,1227 2.572,1228 2.545,1229 2.619,1230 2.388,1231 2.313,1232 3.614,1233 2.313,1234 0.221,1235 0.155,1236 0.317,1237 0.2,1238 0.148,1239 4.205,1240 0.199,1241 2.948,1242 0.032,1243 6.026,1244 0.451,1245 3.795,1246 0.145,1247 2.813,1248 3.789,1249 0.6,1250 8.571,1251 2.761,1252 1.938,1253 1.915,1254 2.052,1255 2.02,1256 1.154,1257 2.03,1258 1.82,1259 1.779,1260 1.937,1261 1.958,1262 0.929,1263 1.955,1264 1.502,1265 1.465,1266 1.672,1267 1.659,1268 0.725,1269 1.664,1270 1.163,1271 1.089,1272 1.471,1273 1.376,1274 0.494,1275 1.414,1276 0.891,1277 0.83,1278 1.181,1279 1.139,1280 0.218,1281 1.13,1282 0.886,1283 0.821,1284 1.141,1285 1.062,1286 0.182,1287 1.107,1288 0.744,1289 0.666,1290 1.01,1291 0.998,1293 1.019,1294 0.503,1295 0.424,1296 0.809,1297 0.792,1299 0.796,1300 3.664,1302 4.905,1304 6.34,1306 7.854,1308 9.403,1310 2.007,1314 9.839,1326 20.918,1327 46.094,1328 102.374,1329 131.594,1330 147.245,1331 147.245,1332 147.245,1333 22.953,1334 5.894,1335 45.48,1336 45.48,1337 12,1338 11.498,1339 3.907,1340 3.17,1341 31.301,1342 60,1343 50,1344 0.255,1345 134.034,1346 231.21,1347 318.804,1348 2425,1350 12.795,1351 0.711,1352 0.562,1353 12.795,1354 10.115,1355 8.754,1356 0.461,1357 0.298,1358 5.622,1359 8.545,1360 5.435,1361 4.596,1362 8.754,1363 5.669,1364 7.432,1365 0.31,1366 0.162,1367 7.432,1368 3.884,1369 5.862,1370 0.209,1371 0.087,1372 5.862,1373 2.436,1374 4.295,1375 0.139,1376 0.046,1377 4.295,1378 1.435,1379 3.303,1380 0.092,1381 0.026,1382 3.303,1383 0.933,1384 0.409,1385 54.01,1386 0.28,1387 18.682,1388 0.669,1389 86,1390 245.44,1391 91.601,1392 246.347,1393 335.26,1394 230,1395 95,1396 243.96,1397 100.324,1398 251.708,1399 356.43,1400 236,1401 5.372}
{0 CHEMBL1338723,1 1.582,2 11.621,3 3.619,4 13.099,5 111.507,6 7.829,7 0.375,8 4.019,9 4.127,10 3.626,11 3.586,12 5.185,13 3.57,14 4.563,15 4.707,16 3.998,17 4.012,18 5.772,19 3.971,20 4.887,21 5.09,22 4.099,23 4.146,24 5.987,25 4.092,26 4.933,27 5.137,28 4.072,29 4.067,30 6.255,31 4.022,32 4.828,33 5.033,34 3.918,35 3.944,36 6.093,37 3.899,38 4.697,39 4.897,40 3.844,41 3.867,42 5.914,43 3.823,44 4.65,45 4.84,46 3.899,47 3.814,48 6.21,49 3.783,50 4.541,51 4.736,52 3.709,53 3.707,54 5.777,55 3.677,56 0.14,57 0.723,58 9.16,59 4.528,60 10.7,61 5.662,62 0.3,63 1.191,64 17.412,65 7.973,66 51.49,67 10.282,68 0.352,69 1.547,70 27.83,71 10.694,72 57.55,73 14.18,74 0.69,75 1.532,76 30.822,77 10.499,78 109.675,79 13.641,80 0.675,81 1.335,82 28.584,83 9.479,84 101.458,85 11.909,86 0.524,87 1.199,88 24.393,89 8.429,90 80.675,91 10.768,92 0.783,93 1.137,94 23.135,95 7.891,96 164.532,97 10.341,98 0.362,99 1.055,100 20.232,101 6.754,102 58.215,103 8.565,104 18,105 45,106 0.264,107 0.574,108 0.72,109 0.805,110 0.821,111 0.821,112 3.408,113 0.905,114 -4.76,115 -4.67,116 -4.39,120 44,122 3,123 2,126 1,136 2,143 8,144 1,145 3,159 2,167 2,174 14,176 3,177 7,182 2,185 15,189 10,192 1,194 3,197 9,200 2,201 13,204 2,206 2,209 6,213 2,214 7,217 1,219 2,222 9,226 2,227 5,232 1,235 10,239 4,240 11,243 2,245 2,247 8,252 13,257 2,260 5,264 13,269 2,271 4,274 1347,275 19.673,276 19.673,277 19.673,278 19.673,279 19.673,280 17.448,281 24.467,282 11.629,283 19.846,284 15.774,285 15.774,286 15.774,287 15.774,288 15.774,289 12.397,290 31.89,291 5.48,292 16.018,293 4.062,294 2.199,295 1.325,296 0.815,297 0.72,298 0.72,299 4.104,306 1,307 1,308 736,309 3.24,312 65.244,313 284.199,316 127.923,320 2.005,321 42.525,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 63.5,333 337,334 4.547,335 4.119,336 7.079,337 4.344,338 3.361,339 4.17,340 2.612,341 12.136,342 3.3,343 4.362,344 3.804,345 6.438,346 3.956,347 2.983,348 3.703,349 2.049,350 9.898,351 2.898,352 3.896,353 3.387,354 6.037,355 3.52,356 2.522,357 3.444,358 1.798,359 8.46,360 2.517,361 3.73,362 2.845,363 5.491,364 3.423,365 2.455,366 3.112,367 0.4,368 6.966,369 2.368,370 3.476,371 2.727,372 5.341,373 3.066,374 2.026,375 2.724,376 0.314,377 6.426,378 2.093,379 3.372,380 2.595,381 4.915,382 2.96,383 1.997,384 2.491,386 5.341,387 1.921,388 3.162,389 2.306,390 4.847,391 2.737,392 1.74,393 2.263,395 4.911,396 1.729,397 2.938,398 1.683,399 3.696,400 2.534,401 1.537,402 2.105,404 3.228,405 1.532,406 2.658,407 1.651,408 3.645,409 2.252,410 1.264,411 1.602,413 2.901,414 1.247,415 2.61,416 1.582,417 3.618,418 2.017,419 1.042,420 1.583,422 2.423,423 1.013,424 2.5,425 1.453,426 3.608,427 2,428 1,429 1.5,431 2.324,432 1,433 2.257,434 1.212,435 3.356,436 2,437 1,438 1.215,440 2.21,441 1,442 2.085,443 1.01,444 3.247,445 1.942,446 0.914,447 1,449 2.136,450 0.934,451 1.621,452 1,453 3.065,454 1.223,455 0.22,456 0.274,458 0.54,459 0.218,460 1.232,461 1,462 2.661,463 0.883,464 -0.139,465 -0.18,467 -0.346,468 -0.141,469 13.533,470 0.467,471 0.699,472 0.024,473 38.5,474 1.328,475 20,476 0.69,477 18.5,478 0.638,479 22.848,480 0.788,481 30.867,482 0.617,483 30.653,484 1.057,485 7.451,486 0.257,487 6.607,488 0.228,489 0.099,491 0.355,496 0.437,497 1.143,498 0.704,499 0.982,500 0.469,501 0.912,502 0.44,503 1.223,504 0.836,505 1.136,506 0.439,507 1.08,508 0.783,509 1.117,510 0.887,511 1.079,512 0.713,513 1.01,514 1.077,515 1.059,516 1.015,517 1.039,518 1.038,519 1.014,520 1.373,521 0.897,522 1.091,523 0.909,524 1.439,525 0.939,526 1.203,527 0.993,528 1.019,529 0.944,530 1.283,531 0.946,532 0.794,533 0.999,534 0.868,535 0.944,536 0.814,537 0.922,538 1.315,539 1.122,540 1.102,541 1.044,542 1.196,543 1.016,544 4.5,545 0.123,546 3.333,547 2.986,548 1.512,549 1.024,550 0.759,551 0.522,552 0.31,553 0.206,554 11111,555 30792,556 2.09,557 42,558 4,559 12,562 1,563 2,564 2,567 1.719,568 1.955,569 3.466,570 -0.336,572 1,575 79.092,576 1.582,577 3.445,578 4.319,579 4.829,580 4.924,581 4.924,582 2.935,583 4.306,584 4.826,585 3.673,586 1491.23,587 8.407,588 20168.2,590 1,592 1,593 282.193,594 1.416,595 4.788,596 0.141,597 0.007,598 0.074,599 0.062,600 0.034,601 0.027,602 0.021,603 0.014,604 0.01,605 0.008,606 0.399,607 0.17,608 1,609 0.729,610 147.504,611 0.141,612 0.023,613 0.052,614 0.049,615 0.013,616 0.028,617 0.188,618 -0.129,619 -0.016,620 -0.113,621 0.124,622 -0.113,623 -0.012,624 -0.095,625 0.046,626 -0.094,627 -0.01,628 -0.023,629 0.026,630 -0.063,631 -0.012,632 -0.089,633 0.048,634 -0.064,635 -0.128,636 0.07,637 -0.06,638 0.042,639 -0.156,640 0.009,641 -0.084,642 -0.011,643 -0.019,644 0.02,645 -0.15,646 0.012,647 0.388,648 -0.009,649 0.137,650 0.014,651 0.386,652 0.024,653 -0.2,654 -0.09,655 -0.116,656 -0.107,657 -0.127,658 -0.088,659 2.492,660 5.731,661 0.724,662 29.291,663 1.011,664 1.121,665 3.528,666 12.448,667 0.674,668 3.497,669 3.829,670 4.143,671 4.431,672 4.635,673 4.682,674 4.86,675 4.963,676 5.03,677 5.063,678 6.864,679 0.653,680 391.46,681 3.497,682 5.043,683 5.911,684 6.801,685 7.688,686 8.588,687 9.486,688 10.392,689 11.296,690 12.207,691 6,696 1,698 1,702 1,709 8,714 4,716 12,729 1,731 1,738 50,739 17,740 2,741 32,743 53,744 22,745 12,746 4,747 8,752 4,753 5,763 2,764 2,766 3,768 16,769 6,770 2,772 5,775 1,778 4,780 2,782 2,786 1,789 21,790 6,791 1,792 7,797 3,800 1,803 0.75,804 4,822 1,823 3,826 1,845 2,855 3,862 29,869 4,871 1,874 2,875 1,886 8,889 2,892 2,893 14.833,894 8.817,895 6.389,896 3.086,898 2.484,899 1.324,900 0.979,901 5.457,902 10.161,903 3.784,904 4.331,905 4.828,906 5.349,907 5.809,908 5.924,909 6.328,910 6.518,911 6.772,912 6.994,913 0.875,914 48,915 10.858,917 4.866,918 8.023,919 20.275,921 17.163,924 2.523,925 73.167,927 1,928 1,929 235.422,930 125.337,931 26.805,933 101.037,936 125.337,937 336.459,938 26.805,939 5.67,940 12.834,941 94.762,942 77.71,943 11.456,945 235.422,946 50.747,947 235.422,948 152.142,949 101.037,952 211.88,953 73.832,954 50.747,956 12.834,957 96.675,958 42.633,960 235.422,961 127.842,962 125.337,965 235.422,966 30.574,967 103.557,968 18.011,969 101.037,970 235.422,971 127.842,972 125.337,973 0.581,974 0.351,975 0.197,976 0.104,977 22,978 10,979 0.113,980 6,981 1,982 1.095,983 4.047,984 258.084,985 0.095,986 21,987 124.881,993 19.347,994 8.179,995 3.808,997 122.172,998 14.306,1003 1.607,1005 18.011,1006 488.601,1007 43,1010 -0.492,1013 48.669,1015 3.829,1017 -0.549,1020 50.567,1021 56.069,1022 0.28,1023 0.61,1024 0.765,1025 0.856,1026 0.872,1027 0.872,1028 5.03,1029 1.537,1030 5.9,1031 4.911,1032 4.511,1033 5.017,1034 3.216,1035 6.749,1036 4.482,1037 6.224,1038 1.264,1039 7.483,1040 3.228,1041 4.111,1042 4.796,1043 2.935,1044 7.751,1045 4.059,1046 7.528,1047 1.042,1048 9.173,1049 2.901,1050 6.129,1051 7.118,1052 4.607,1053 10.907,1054 6.059,1055 8.866,1056 1,1057 10.929,1058 2.423,1059 6.594,1060 7.712,1061 4.898,1062 12.787,1063 6.497,1064 10.238,1065 1,1066 12.727,1067 2.324,1068 8.08,1069 9.519,1070 6.228,1071 15.474,1072 7.966,1073 11.635,1074 0.914,1075 14.555,1076 2.21,1077 8.945,1078 10.495,1079 6.795,1080 17.709,1081 8.804,1082 13.051,1083 0.22,1084 16.405,1085 2.136,1086 10.231,1087 12.09,1088 7.965,1089 20.25,1090 10.072,1091 3.361,1092 -0.139,1093 18.271,1094 0.54,1095 11.279,1096 13.26,1097 8.69,1098 22.631,1099 11.096,1100 2.983,1101 12.136,1102 20.15,1103 -0.346,1104 12.493,1105 14.759,1106 9.773,1107 25.128,1108 12.293,1109 2.522,1110 9.898,1111 22.04,1112 4.17,1113 13.622,1114 16.034,1115 10.593,1116 27.57,1117 13.401,1118 2.455,1119 8.46,1120 23.939,1121 3.703,1122 14.817,1123 17.486,1124 11.625,1125 30.056,1126 14.578,1127 2.026,1128 6.966,1129 25.846,1130 3.444,1131 15.982,1132 18.821,1133 12.502,1134 32.525,1135 15.723,1136 1.997,1137 6.426,1138 27.759,1139 3.112,1140 17.174,1141 20.252,1142 13.505,1143 35.011,1144 16.897,1145 1.74,1146 5.341,1147 29.677,1148 2.724,1149 18.357,1150 21.621,1151 14.416,1152 37.492,1153 18.061,1154 10520,1155 17689,1156 21.383,1157 33.688,1158 48.804,1159 51.113,1160 50.017,1161 48.121,1162 48.123,1163 62.37,1164 14.348,1165 139.8,1166 47.539,1167 5.46,1168 6.119,1169 6.881,1170 5.381,1171 5.361,1172 7.17,1173 4.612,1174 19.66,1175 5.3,1176 13.635,1177 1.525,1178 1.597,1179 1.563,1180 1.504,1181 1.504,1182 1.949,1183 0.448,1184 4.369,1185 1.486,1186 4.068,1187 4.098,1188 4.027,1189 3.941,1190 7.815,1191 3.953,1192 3.926,1193 3.96,1194 3.86,1195 3.851,1196 7.445,1197 3.844,1198 3.896,1199 3.926,1200 3.829,1201 3.787,1202 7.408,1203 3.79,1204 3.524,1205 3.554,1206 3.483,1207 3.303,1208 6.999,1209 3.317,1210 3.468,1211 3.538,1212 3.357,1213 3.228,1214 4.765,1215 3.238,1216 3.332,1217 3.368,1218 3.22,1219 3.016,1220 4.689,1221 3.101,1222 3.133,1223 3.182,1224 3.026,1225 2.947,1226 4.436,1227 2.947,1228 2.933,1229 3.005,1230 2.814,1231 2.784,1232 4.128,1233 2.784,1234 0.142,1235 0.129,1236 0.221,1237 0.136,1238 0.105,1239 4.547,1240 0.13,1241 4.119,1242 0.082,1243 7.079,1244 0.379,1245 4.344,1246 0.103,1247 3.361,1248 4.17,1249 2.612,1250 12.136,1251 3.3,1252 1.943,1253 1.913,1254 2.064,1255 2.104,1256 1.38,1257 2.071,1258 1.899,1259 1.872,1260 2.039,1261 1.997,1262 1.238,1263 2.007,1264 1.866,1265 1.829,1266 1.989,1267 1.983,1268 1.105,1269 2.003,1270 1.455,1271 1.396,1272 1.696,1273 1.732,1274 0.874,1275 1.679,1276 1.347,1277 1.309,1278 1.496,1279 1.674,1280 0.757,1281 1.621,1282 1.164,1283 1.13,1284 1.365,1285 1.487,1286 0.547,1287 1.457,1288 1.161,1289 1.128,1290 1.282,1291 1.344,1292 0.348,1293 1.346,1294 0.96,1295 0.885,1296 1.218,1297 1.193,1298 0.218,1299 1.221,1300 4.174,1302 5.501,1303 2.398,1304 7.033,1305 4.949,1306 8.657,1307 7.209,1308 10.331,1315 2.32,1317 3.093,1320 -0.731,1321 1.114,1326 32.665,1327 79.092,1328 172.244,1329 215.928,1330 241.438,1331 246.193,1332 246.193,1333 73.681,1334 7.676,1335 95.23,1336 95.23,1337 23,1338 12.723,1339 4.17,1340 3.585,1341 44.775,1342 119,1343 130,1344 0.184,1345 199.322,1346 359.68,1347 478.106,1348 22970,1350 20.38,1351 0.703,1352 0.544,1353 20.38,1354 15.784,1355 14.059,1356 0.439,1357 0.302,1358 9.536,1359 13.527,1360 9.39,1361 7.727,1362 14.059,1363 9.651,1364 12.584,1365 0.28,1366 0.162,1367 12.584,1368 7.289,1369 10.841,1370 0.175,1371 0.089,1372 10.841,1373 5.516,1374 9.373,1375 0.113,1376 0.048,1377 9.373,1378 4.001,1379 7.419,1380 0.073,1381 0.027,1382 7.419,1383 2.75,1384 0.289,1385 88.359,1386 0.216,1387 27.635,1388 0.503,1389 154,1390 486.565,1391 169.407,1392 465.977,1393 620.04,1394 430,1395 184,1396 451.553,1397 199.993,1398 448.859,1399 655.71,1400 423,1401 4.872}
{0 CHEMBL1339121,1 1.365,2 9.455,3 5.164,4 26.664,5 89.883,6 6.962,7 0.708,8 3.813,9 3.936,10 3.323,11 3.413,12 4.918,13 3.365,14 4.304,15 4.476,16 3.695,17 3.812,18 5.319,19 3.748,20 4.56,21 4.742,22 3.713,23 3.959,24 5.586,25 3.853,26 4.75,27 5.015,28 3.627,29 3.921,30 5.695,31 3.778,32 4.613,33 4.886,34 3.392,35 3.733,36 5.544,37 3.581,38 4.301,39 4.6,40 3.116,41 3.457,42 5.056,43 3.305,44 3.884,45 4.056,46 3.194,47 3.332,48 4.965,49 3.258,50 4.119,51 4.323,52 3.127,53 3.401,54 5.201,55 3.293,56 0.075,57 0.573,58 9.1,59 4.029,60 10.858,61 5.384,62 0.068,63 0.913,64 15.424,65 6.668,66 14.079,67 9.217,68 0.102,69 1.149,70 20.308,71 8.641,72 22.311,73 11.904,74 0.24,75 1.319,76 26.574,77 10.085,78 41.994,79 14.477,80 0.268,81 1.155,82 23.536,83 8.316,84 41.235,85 12.04,86 0.134,87 0.837,88 17.188,89 6.39,90 18.476,91 9.396,92 0.048,93 0.588,94 10.156,95 4.251,96 11.526,97 5.863,98 0.14,99 0.739,100 13.596,101 4.765,102 25.921,103 6.659,104 18,105 35,106 0.239,107 0.559,108 0.65,109 0.752,110 0.772,111 0.772,112 3.146,113 0.925,114 -5.19,115 -5.08,116 -4.76,120 45.2,121 3,124 1,143 9,144 3,145 1,147 1,153 1,170 1,174 14,177 2,182 4,185 20,189 3,194 4,197 16,201 3,205 1,206 6,209 12,214 3,217 1,219 3,222 8,227 2,232 2,235 7,240 3,245 3,247 11,257 5,260 8,269 1,271 8,274 606,275 14.403,276 14.403,277 14.403,278 14.403,279 14.403,280 12.445,281 8.22,282 8.283,283 14.506,284 11.834,285 11.834,286 11.834,287 11.834,288 11.834,289 8.947,290 7.045,291 3.905,292 12.009,293 4.027,294 2.199,295 1.68,296 1.096,297 0.983,298 0.983,299 3.821,306 1,307 1,308 441,309 3,312 60.712,313 147.119,320 1.636,321 13.688,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46,333 208,334 4.47,335 3.538,336 7.111,337 4.315,338 3.316,339 4.133,341 11.659,342 3.315,343 4.395,344 3.108,345 6.483,346 4.034,347 3.055,348 3.868,350 10.094,351 2.988,352 4.1,353 2.8,354 6.116,355 3.737,356 2.753,357 3.563,359 8.937,360 2.708,361 3.562,362 2.215,363 5.102,364 3.109,365 2.135,366 2.97,368 5.979,369 2.077,370 3.104,371 1.781,372 4.687,373 2.732,374 1.747,375 2.294,377 4.976,378 1.72,379 2.863,380 1.522,381 4.261,382 2.393,383 1.414,384 2.019,386 3.723,387 1.379,388 2.753,389 1.337,390 3.798,391 2.313,392 1.325,393 1.853,395 3.028,396 1.307,397 2.5,398 1,399 3.572,400 2,401 1,402 1.5,404 2.459,405 1,406 2.388,407 0.916,408 3.414,409 1.884,410 0.91,411 1.336,413 2.275,414 0.884,415 2.162,416 0.671,417 3.268,418 1.658,419 0.669,420 0.996,422 1.638,423 0.661,424 1.1,425 0.086,426 2.808,427 0.734,428 -0.208,429 -0.258,431 -0.466,432 -0.192,433 0.908,434 -0.36,435 2.463,436 0.521,437 -0.465,438 -0.605,440 -1.153,441 -0.459,442 0.627,443 -0.78,444 2.169,445 0.167,446 -0.82,447 -1,449 -2,450 -0.807,451 0.5,452 -1,453 2,455 -1,456 -1,458 -3,459 -1,460 0.091,461 -1,462 2,464 -1,465 -1.135,467 -3,468 -1,469 10.633,470 0.483,471 0.723,472 0.033,473 29.25,474 1.33,475 16.5,476 0.75,477 12.75,478 0.58,479 17.082,480 0.776,481 22.967,482 0.547,483 19.41,484 0.882,485 5.572,486 0.253,487 4.877,488 0.222,489 0.172,490 0.047,491 0.282,496 0.881,497 0.941,498 0.88,499 0.927,500 1.031,501 0.91,502 0.648,503 1.04,504 0.753,505 0.922,506 0.555,507 0.857,508 0.88,509 1.309,510 1.133,511 1.292,512 0.875,513 1.247,514 0.838,515 1.053,516 0.91,517 0.985,518 0.855,519 0.96,520 1.15,521 0.987,522 1.046,523 0.942,524 1.099,525 0.973,526 0.672,527 0.728,528 0.751,529 0.704,530 0.489,531 0.719,532 0.859,533 1.233,534 0.933,535 1.13,536 0.723,537 1.052,538 1.739,539 1.175,540 1.404,541 1.178,542 1.597,543 1.233,544 5.5,545 0.14,546 3.333,547 1.5,548 0.859,549 0.893,550 0.433,551 0.209,552 0.212,553 0.158,554 5009,555 11048,556 2.032,557 47.6,558 9,559 9,562 2,567 1.64,568 1.872,569 3.205,570 0.214,575 57.328,576 1.365,577 3.194,578 3.712,579 4.296,580 4.409,581 4.409,582 2.72,583 3.789,584 4.431,585 3.391,586 783.339,587 7.588,588 8643.29,593 226.477,594 1.661,595 4.366,596 0.229,597 0.014,598 0.095,599 0.045,600 0.03,601 0.041,602 0.024,603 0.01,604 0.012,605 0.016,606 0.517,607 0.83,608 1,609 0.853,610 101.65,611 0.032,612 0.172,613 0.027,614 0.095,615 -0.152,616 0.062,617 0.051,618 0.013,619 0.165,620 0.096,621 0.11,622 0.134,623 -0.046,624 -0.288,625 -0.207,626 -0.288,627 -0.028,628 -0.268,629 0.117,630 -0.093,631 0.078,632 -0.02,633 0.083,634 0.016,635 0.001,637 -0.037,638 -0.006,639 -0.046,640 -0.022,641 0.033,642 0.231,643 0.239,644 0.255,645 0.087,646 0.269,647 0.026,648 -0.186,649 -0.001,650 -0.13,651 0.156,652 -0.077,653 -0.314,654 -0.087,655 -0.414,656 -0.25,657 -0.275,658 -0.321,659 1.416,660 3.922,661 0.773,662 18.231,663 0.988,664 1.118,665 3.963,666 15.706,667 0.674,668 3.219,669 3.584,670 3.807,671 4.007,672 4.159,673 4.277,674 4.394,675 4.344,676 4.466,677 4.564,678 5.752,679 0.631,680 292.41,681 3.219,682 4.779,683 5.624,684 6.512,685 7.373,686 8.261,687 9.129,688 10.017,689 10.888,690 11.775,691 4.8,699 1,701 1,709 9,710 1,711 1,714 6,716 17,734 1,738 42,739 17,740 2,741 24,743 44,744 19,745 15,746 4,747 8,752 3,753 3,759 3,760 1,768 15,769 4,789 20,790 2,791 2,792 3,797 2,803 1,804 1,814 1,822 1,823 2,855 3,859 3,862 22,868 1,876 1,886 2.4,888 1,893 11.75,894 8.4,895 4.667,896 2.435,898 3.163,899 1.462,900 0.951,901 3.693,902 10.016,903 3.512,904 4.147,905 4.735,906 5.307,907 5.784,908 6.109,909 6.54,910 6.841,911 7.262,912 7.621,913 1,914 33,915 8.098,917 3.402,918 7.625,919 15.645,921 12.89,924 2.125,925 46.75,928 1,929 211.88,930 126.832,931 33.326,933 42.683,936 126.832,937 254.563,938 33.326,939 26.476,941 85.286,942 59.346,943 28.976,944 2.757,945 211.88,947 211.88,948 160.158,949 42.683,952 211.88,953 42.683,956 45.895,957 97.6,958 16.663,960 211.88,961 76.009,962 126.832,965 211.88,966 15.07,967 111.762,968 16.663,969 59.346,970 211.88,971 76.009,972 126.832,973 0.599,974 0.338,975 0.166,976 0.082,977 18,978 8,979 0.068,980 3,982 1,983 3.402,984 171,986 17,987 89.353,993 14.705,994 5.525,995 3.039,997 59.346,998 17.67,999 4.36,1000 2.996,1003 5.054,1005 59.346,1006 414.721,1007 32.5,1020 41.483,1021 46.943,1022 0.253,1023 0.592,1024 0.688,1025 0.797,1026 0.818,1027 0.818,1028 4.756,1029 1,1030 5.666,1031 3.028,1032 4.263,1033 4.832,1035 6.526,1036 4.234,1037 6.002,1038 0.91,1039 7.272,1040 2.459,1041 4.111,1042 4.663,1044 7.751,1045 4.071,1046 7.334,1047 0.669,1048 8.991,1049 2.275,1050 5.969,1051 7.048,1053 10.735,1054 5.92,1055 8.703,1056 -0.208,1057 10.779,1058 1.638,1059 6.608,1060 7.663,1062 12.73,1063 6.552,1064 10.102,1065 -0.465,1066 12.609,1067 -0.466,1068 8.01,1069 9.529,1071 15.312,1072 7.949,1073 11.522,1074 -0.82,1075 14.466,1076 -1.153,1077 8.962,1078 10.51,1080 17.573,1081 8.895,1082 12.958,1083 -1,1084 16.343,1085 -2,1086 10.208,1087 12.142,1089 20.04,1090 10.138,1091 3.316,1092 -1,1093 18.234,1094 -3,1095 11.286,1096 13.311,1098 22.402,1099 11.213,1100 3.055,1101 11.659,1102 20.136,1103 -3,1104 12.479,1105 14.827,1107 24.839,1108 12.404,1109 2.753,1110 10.094,1111 22.045,1112 4.133,1113 13.61,1114 16.097,1116 27.242,1117 13.534,1118 2.135,1119 8.937,1120 23.96,1121 3.868,1122 14.787,1123 17.554,1125 29.674,1126 14.71,1127 1.747,1128 5.979,1129 25.881,1130 3.563,1131 15.942,1132 18.881,1134 32.097,1135 15.865,1136 1.414,1137 4.976,1138 27.806,1139 2.97,1140 17.116,1141 20.309,1143 34.532,1144 17.039,1145 1.325,1146 3.723,1147 29.735,1148 2.294,1149 18.283,1150 21.667,1152 36.966,1153 18.207,1154 4926,1155 7468,1156 15.603,1157 28.319,1158 37.512,1159 36.54,1160 37.293,1161 36.686,1162 36.647,1163 49.061,1165 109.533,1166 36.077,1167 5.168,1168 5.538,1169 6.796,1170 5.316,1171 5.316,1172 7.133,1174 18.568,1175 5.315,1176 11.77,1177 1.563,1178 1.523,1179 1.554,1180 1.529,1181 1.527,1182 2.044,1184 4.564,1185 1.503,1186 4.063,1187 4.099,1188 4.02,1189 3.979,1190 6.469,1191 3.983,1192 3.909,1193 3.938,1194 3.846,1195 3.846,1196 5.024,1197 3.843,1198 3.717,1199 3.768,1200 3.641,1201 3.589,1202 4.686,1203 3.593,1204 3.504,1205 3.569,1206 3.366,1207 3.368,1208 4.578,1209 3.362,1210 2.945,1211 3.009,1212 2.83,1213 2.751,1214 4.211,1215 2.76,1216 2.874,1217 3.009,1218 2.725,1219 2.742,1220 3.674,1221 2.732,1222 2.874,1223 2.976,1224 2.687,1225 2.735,1226 3.654,1227 2.715,1228 2.854,1229 2.925,1230 2.532,1231 2.618,1232 3.503,1233 2.57,1234 0.186,1235 0.147,1236 0.296,1237 0.18,1238 0.138,1239 4.47,1240 0.172,1241 3.538,1243 7.111,1244 0.486,1245 4.315,1246 0.138,1247 3.316,1248 4.133,1250 11.659,1251 3.315,1252 1.969,1253 1.945,1254 2.092,1255 2.042,1256 1.289,1257 2.06,1258 1.901,1259 1.879,1260 2.002,1261 1.994,1262 1.1,1263 1.996,1264 1.632,1265 1.581,1266 1.846,1267 1.775,1268 0.972,1269 1.801,1270 1.359,1271 1.312,1272 1.511,1273 1.592,1274 0.608,1275 1.558,1276 1.172,1277 1.092,1278 1.417,1279 1.402,1280 0.469,1281 1.401,1282 0.934,1283 0.84,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.308,1291 1.239,1292 0.291,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.147,1298 0.218,1299 1.132,1300 3.892,1302 5.242,1303 2.398,1304 6.777,1305 4.595,1306 8.387,1307 6.605,1308 10.034,1310 6.604,1314 9.922,1322 0.144,1326 26.499,1327 57.328,1328 134.134,1329 155.909,1330 180.438,1331 185.193,1332 185.193,1333 32.597,1334 6.852,1335 48.91,1336 48.91,1337 17,1338 12.309,1339 4.17,1340 3.248,1341 34.662,1342 76,1343 60,1344 0.229,1345 165.01,1346 277.15,1347 394.385,1348 7794,1350 15.742,1351 0.716,1352 0.595,1353 15.742,1354 13.091,1355 10.449,1356 0.435,1357 0.308,1358 7.351,1359 10.25,1360 7.004,1361 5.927,1362 10.449,1363 7.397,1364 10.237,1365 0.292,1366 0.186,1367 10.237,1368 6.511,1369 7.96,1370 0.181,1371 0.087,1372 7.96,1373 3.819,1374 6.372,1375 0.118,1376 0.045,1377 6.372,1378 2.45,1379 4.65,1380 0.074,1381 0.024,1382 4.65,1383 1.493,1384 0.358,1385 64.177,1386 0.253,1387 21.751,1388 0.625,1389 118,1390 276.128,1391 123.545,1392 281.115,1393 393.38,1394 262,1395 138,1396 301.482,1397 144.073,1398 313.288,1399 451.65,1400 293,1401 5.742}
{0 CHEMBL1339270,1 1.503,2 8.15,3 4.605,4 21.201,5 81.034,6 7.979,7 0.773,8 3.607,9 3.713,10 3.238,11 3.222,12 4.836,13 3.206,14 4.036,15 4.179,16 3.557,17 3.561,18 5.204,19 3.532,20 4.256,21 4.434,22 3.614,23 3.616,24 5.461,25 3.577,26 4.241,27 4.469,28 3.432,29 3.443,30 5.394,31 3.396,32 4.036,33 4.253,34 3.209,35 3.276,36 5.227,37 3.217,38 3.872,39 4.096,40 3.041,41 3.213,42 4.943,43 3.131,44 3.788,45 3.973,46 3.068,47 3.263,48 4.808,49 3.177,50 3.874,51 4.071,52 3.012,53 3.253,54 4.923,55 3.147,56 0.047,57 0.469,58 5.677,59 2.793,60 8.482,61 3.381,62 0.025,63 0.719,64 9.496,65 4.361,66 9.038,67 5.559,68 0.133,69 0.894,70 13.185,71 5.145,72 23.687,73 6.618,74 0.175,75 0.883,76 14.734,77 4.914,78 27.333,79 6.469,80 0.226,81 0.713,82 11.816,83 3.926,84 30.482,85 5.042,86 0.168,87 0.583,88 10.097,89 3.729,90 22.541,91 4.989,92 0.04,93 0.527,94 8.217,95 3.82,96 8.733,97 5.07,98 0.041,99 0.562,100 9.272,101 4.207,102 11.059,103 5.573,104 5,105 30,106 0.275,107 0.582,108 0.74,109 0.884,110 0.895,111 0.895,112 3.058,113 0.858,114 -4.5,115 -4.43,116 -4.17,120 48.5,121 1,143 8,144 2,145 3,146 1,147 1,167 1,174 8,177 6,182 1,185 8,189 10,192 1,194 2,197 5,200 1,201 8,206 1,209 3,213 1,214 3,217 1,219 1,222 5,230 1,235 8,240 2,247 10,252 2,257 2,260 6,264 2,269 2,271 2,274 478,275 13.637,276 13.637,277 13.637,278 13.637,279 13.637,280 11.424,281 12.025,282 8.149,283 13.805,284 10.865,285 10.865,286 10.865,287 10.865,288 10.865,289 7.617,290 9.551,291 3.869,292 11.144,293 3.541,294 1.857,295 0.993,296 0.205,297 0.144,298 0.144,299 3.741,306 1,307 1,308 352,309 2.236,313 153.186,317 79.621,320 1.165,321 14.921,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 42.5,333 163,334 4.584,335 3.197,336 6.67,337 4.099,338 3.123,339 4.541,341 10.718,342 3.046,343 4.069,344 2.789,345 5.62,346 3.639,347 2.655,348 3.688,350 7.497,351 2.614,352 3.694,353 2.488,354 5.486,355 3.249,356 2.291,357 3.136,359 7.118,360 2.187,361 3.389,362 2.187,363 4.766,364 2.959,365 1.98,366 2.75,368 5.323,369 1.935,370 3.29,371 1.96,372 4.652,373 2.84,374 1.867,375 2.585,377 4.839,378 1.814,379 2.789,380 1.304,381 3.738,382 2.273,383 1.29,384 1.926,386 2.864,387 1.267,388 2.714,389 1.257,390 3.595,391 2.212,392 1.217,393 1.79,395 2.725,396 1.211,397 2.557,398 1.111,399 3.485,400 2.011,401 1.057,402 1.544,404 2.564,405 1.006,406 2.287,407 0.802,408 3.186,409 1.653,410 0.682,411 1.042,413 1.582,414 0.659,415 1.402,416 0.237,417 2.711,418 0.971,419 0.024,420 0.032,422 0.056,423 0.023,424 0.958,425 -0.131,426 2.371,427 0.596,428 -0.401,429 -0.509,431 -0.889,432 -0.398,433 0.916,434 -0.382,435 2.165,436 0.425,437 -0.535,438 -0.725,440 -1.362,441 -0.511,442 0.717,443 -0.648,444 2,445 0.272,446 -0.707,447 -1.005,449 -1.861,450 -0.691,451 0.561,452 -0.803,453 2,454 0.064,455 -0.9,456 -1.277,458 -2.166,459 -0.861,460 0.175,461 -1.013,462 1.596,463 -0.183,464 -1.134,465 -1.558,467 -2.972,468 -1.08,469 9.533,470 0.477,471 0.435,472 0.022,473 31.25,474 1.563,475 19,476 0.95,477 12.25,478 0.613,479 11.018,480 0.551,481 19.867,482 0.602,483 19.712,484 0.986,485 6.24,486 0.312,487 3.497,488 0.175,489 0.087,491 0.315,496 0.8,497 0.968,498 0.734,499 0.88,500 0.937,501 0.821,502 0.719,503 1.206,504 0.759,505 1.021,506 0.641,507 0.916,508 1.015,509 1.298,510 0.966,511 1.101,512 0.941,513 1.036,514 1.288,515 1.118,516 1.008,517 0.948,518 1.084,519 0.926,520 1.365,521 0.915,522 1.165,523 0.884,524 1.273,525 0.965,526 0.909,527 0.663,528 0.995,529 0.731,530 0.851,531 0.838,532 0.507,533 0.895,534 0.909,535 1.022,536 0.517,537 1.022,538 0.651,539 1.058,540 1.065,541 1.242,542 0.674,543 1.221,544 3.5,545 0.025,546 2.222,547 1.25,548 0.969,549 0.389,550 0.224,551 0.2,552 0.164,553 0.107,554 3874,555 10369,556 2.107,557 39.4,558 3,559 8,561 1,562 1,567 1.616,568 2,569 3.057,570 -0.32,575 49.604,576 1.503,577 3.187,578 4.052,579 4.84,580 4.9,581 4.9,582 2.423,583 3.884,584 4.298,585 3.185,586 605.237,587 7.333,588 6225.65,590 1,593 166.465,594 1.295,595 4.266,596 0.159,597 0.006,598 0.074,599 0.042,600 0.04,601 0.02,602 0.013,603 0.011,604 0.01,605 0.011,606 0.387,607 0.67,608 1,609 0.548,610 88.492,611 0.022,612 0.067,613 0.029,614 0.053,615 -0.127,616 0.036,618 -0.191,619 0.06,620 -0.08,621 0.022,622 -0.017,623 0.023,624 -0.264,625 -0.054,626 -0.184,627 0.022,628 -0.142,629 -0.091,630 -0.064,631 0.01,632 -0.037,633 -0.016,634 -0.003,635 -0.07,636 0.152,637 -0.165,638 0.021,639 -0.083,640 -0.064,641 -0.015,642 0.337,643 -0.02,644 0.236,645 -0.021,646 0.137,647 -0.001,648 0.034,649 -0.035,650 -0.015,651 0.004,652 -0.025,653 -0.001,654 -0.154,655 -0.152,656 -0.234,657 0.039,658 -0.216,659 1.518,660 3.783,661 0.8,662 12.91,663 1.002,664 1.115,665 3.27,666 10.69,667 0.705,668 3.135,669 3.434,670 3.689,671 3.932,672 4.143,673 4.078,674 4.111,675 4.19,676 4.29,677 4.205,678 5.129,679 0.679,680 263.32,681 3.135,682 4.654,683 5.493,684 6.358,685 7.213,686 8.082,687 8.944,688 9.815,689 10.68,690 11.553,691 9.1,701 1,704 2,708 2,709 9,710 1,714 4,716 17,734 1,738 33,739 18,740 2,741 22,743 35,744 16,745 15,746 6,747 6,752 3,753 4,759 1,768 15,769 1,772 1,781 2,786 1,789 13,790 4,791 1,792 4,797 3,802 1,803 0.667,804 1,816 1,823 3,827 1,855 2,859 1,862 20,868 1,886 3,888 1,893 10,894 6.3,895 4.417,896 1.883,898 3.951,899 1.591,900 0.978,901 3.239,902 10.632,903 3.481,904 4.127,905 4.775,906 5.394,907 5.984,908 6.223,909 6.623,910 7.035,911 7.495,912 7.682,913 1,914 30,915 7.323,917 3.067,918 7.75,919 13.859,921 11.081,924 2.25,925 45,926 0.001,929 141.253,930 107.099,931 50.112,933 42.683,936 107.099,937 183.937,938 50.112,939 8.825,941 75.81,942 71.24,943 22.464,944 33.326,945 129.482,947 141.253,948 157.21,949 42.683,952 141.253,953 42.683,956 20.017,957 87.082,958 50.112,960 141.253,961 92.795,962 107.099,965 141.253,966 13.416,967 93.683,969 92.795,970 141.253,971 92.795,972 107.099,973 0.576,974 0.336,975 0.184,976 0.1,977 15,978 6,979 0.057,980 2,981 1,982 1.125,983 3.294,984 148.635,985 0.125,986 16,987 84.439,993 12.462,994 5.198,995 2.588,996 1.317,997 92.795,998 16.461,999 4.159,1003 2.774,1005 42.683,1006 341.147,1007 31.5,1016 8.493,1020 33.051,1021 36.78,1022 0.298,1023 0.632,1024 0.803,1025 0.959,1026 0.971,1027 0.971,1028 4.675,1029 1.057,1030 5.46,1031 2.725,1032 4.111,1033 4.812,1035 6.24,1036 4.061,1037 5.898,1038 0.682,1039 6.997,1040 2.564,1041 3.611,1042 4.559,1044 7.096,1045 3.526,1046 7.203,1047 0.024,1048 8.637,1049 1.582,1050 5.666,1051 7.095,1053 10.2,1054 5.57,1055 8.548,1056 -0.401,1057 10.34,1058 0.056,1059 5.994,1060 7.712,1062 11.933,1063 5.862,1064 9.926,1065 -0.535,1066 12.085,1067 -0.889,1068 7.509,1069 9.676,1071 14.556,1072 7.367,1073 11.328,1074 -0.707,1075 13.861,1076 -1.362,1077 8.245,1078 10.738,1080 16.66,1081 8.069,1082 12.752,1083 -0.9,1084 15.659,1085 -1.861,1086 9.528,1087 12.444,1089 19.121,1090 9.339,1091 3.123,1092 -1.134,1093 17.476,1094 -2.166,1095 10.468,1096 13.735,1098 21.38,1099 10.248,1100 2.655,1101 10.718,1102 19.306,1103 -2.972,1104 11.653,1105 15.326,1107 23.785,1108 11.416,1109 2.291,1110 7.497,1111 21.148,1112 4.541,1113 12.692,1114 16.731,1116 26.108,1117 12.426,1118 1.98,1119 7.118,1120 23,1121 3.688,1122 13.839,1123 18.272,1125 28.493,1126 13.553,1127 1.867,1128 5.323,1129 24.859,1130 3.136,1131 14.926,1132 19.732,1134 30.844,1135 14.612,1136 1.29,1137 4.839,1138 26.725,1139 2.75,1140 16.06,1141 21.254,1143 33.22,1144 15.723,1145 1.217,1146 2.864,1147 28.596,1148 2.585,1149 17.17,1150 22.74,1152 35.583,1153 16.806,1154 3753,1155 6259,1156 14.909,1157 23.279,1158 32.977,1159 32.538,1160 33.305,1161 32.363,1162 32.37,1163 46.069,1165 90.576,1166 31.522,1167 5.186,1168 5.197,1169 6.349,1170 5.136,1171 5.123,1172 7.541,1174 17.864,1175 5.046,1176 7.749,1177 1.499,1178 1.479,1179 1.514,1180 1.471,1181 1.471,1182 2.094,1184 4.117,1185 1.433,1186 4.074,1187 4.1,1188 4.043,1189 3.994,1190 6.47,1191 4.002,1192 3.907,1193 3.939,1194 3.845,1195 3.844,1196 5.047,1197 3.84,1198 3.464,1199 3.513,1200 3.379,1201 3.353,1202 4.846,1203 3.351,1204 3.251,1205 3.322,1206 3.183,1207 3.057,1208 4.571,1209 3.063,1210 3.111,1211 3.18,1212 2.952,1213 2.927,1214 4.191,1215 2.939,1216 2.892,1217 2.948,1218 2.788,1219 2.742,1220 3.875,1221 2.744,1222 2.673,1223 2.73,1224 2.543,1225 2.573,1226 3.837,1227 2.56,1228 2.568,1229 2.664,1230 2.426,1231 2.314,1232 3.495,1233 2.322,1234 0.208,1235 0.145,1236 0.303,1237 0.186,1238 0.142,1239 4.584,1240 0.206,1241 3.197,1243 6.67,1244 0.487,1245 4.099,1246 0.138,1247 3.123,1248 4.541,1250 10.718,1251 3.046,1252 2.024,1253 2.003,1254 2.086,1255 2.121,1256 1.199,1257 2.112,1258 1.903,1259 1.874,1260 2.025,1261 1.991,1262 1.118,1263 2.003,1264 1.451,1265 1.409,1266 1.622,1267 1.599,1268 0.64,1269 1.607,1270 1.222,1271 1.147,1272 1.542,1273 1.449,1274 0.598,1275 1.476,1276 1.049,1277 0.998,1278 1.188,1279 1.305,1280 0.187,1281 1.276,1282 0.862,1283 0.811,1284 1.077,1285 1.067,1286 0.115,1287 1.07,1288 0.689,1289 0.639,1290 0.937,1291 0.873,1292 0.026,1293 0.897,1294 0.551,1295 0.448,1296 0.924,1297 0.823,1299 0.857,1300 3.807,1302 5.106,1304 6.616,1306 8.225,1308 9.885,1310 2.013,1314 9.783,1326 22.413,1327 49.604,1328 105.181,1329 133.71,1330 159.71,1331 161.71,1332 161.71,1333 25.55,1334 6.681,1335 57.84,1336 57.84,1337 18,1338 12.096,1339 4.248,1340 3.392,1341 30.004,1342 61,1343 54,1344 0.242,1345 140.1,1346 233.61,1347 333.605,1348 6582,1350 13.949,1351 0.697,1352 0.549,1353 13.949,1354 10.985,1355 9.737,1356 0.443,1357 0.286,1358 6.231,1359 9.469,1360 6.045,1361 5.067,1362 9.737,1363 6.29,1364 8.642,1365 0.288,1366 0.151,1367 8.642,1368 4.542,1369 7.195,1370 0.184,1371 0.077,1372 7.195,1373 3,1374 6.015,1375 0.12,1376 0.041,1377 6.015,1378 2.032,1379 4.895,1380 0.079,1381 0.021,1382 4.895,1383 1.301,1384 0.374,1385 60.363,1386 0.259,1387 19.878,1388 0.675,1389 104,1390 297.085,1391 111.266,1392 297.525,1393 412.76,1394 278,1395 121,1396 312.957,1397 128.96,1398 320.189,1399 461.4,1400 301,1401 5.339}
{0 CHEMBL1339283,1 1.268,2 9.375,3 4.974,4 24.741,5 98.987,6 7.289,7 0.63,8 3.844,9 3.952,10 3.415,11 3.513,12 4.921,13 3.466,14 4.356,15 4.511,16 3.793,17 3.909,18 5.369,19 3.848,20 4.569,21 4.749,22 3.833,23 4.016,24 5.6,25 3.936,26 4.672,27 4.876,28 3.729,29 4.029,30 5.669,31 3.911,32 4.617,33 4.822,34 3.649,35 3.978,36 5.604,37 3.848,38 4.689,39 4.952,40 3.536,41 3.903,42 5.575,43 3.747,44 4.484,45 4.735,46 3.366,47 3.732,48 5.389,49 3.583,50 4.331,51 4.568,52 3.277,53 3.599,54 5.298,55 3.467,56 0.029,57 0.519,58 8.404,59 3.965,60 6.043,61 5.298,62 0.065,63 0.89,64 15.17,65 6.785,66 9.825,67 9.19,68 0.142,69 1.137,70 19.718,71 8.044,72 17.895,73 10.799,74 0.169,75 1.207,76 22.89,77 9.738,78 31.359,79 12.991,80 0.123,81 1.136,82 21.426,83 9.445,84 27.943,85 12.776,86 0.217,87 1.252,88 24.976,89 10.397,90 32.686,91 14.425,92 0.136,93 0.999,94 20.069,95 8.538,96 28.064,97 11.672,98 0.133,99 0.866,100 16.994,101 7.01,102 26.977,103 9.463,104 10,105 39,106 0.218,107 0.528,108 0.667,109 0.792,110 0.854,111 0.854,112 3.229,113 0.914,114 -5.47,115 -5.35,116 -4.99,120 51.2,121 2,122 1,136 1,137 1,143 10,144 3,145 1,153 2,158 1,174 15,177 8,185 19,189 7,197 16,201 5,209 19,214 3,222 18,226 1,227 3,235 15,240 3,247 11,252 4,260 11,264 2,271 11,274 752,275 16.345,276 16.345,277 16.345,278 16.345,279 16.345,280 13.941,281 14.791,282 9.549,283 16.432,284 13.318,285 13.318,286 13.318,287 13.318,288 13.318,289 9.717,290 15.645,291 4.528,292 13.456,293 4.159,294 2.355,295 1.543,296 0.817,297 0.454,298 0.454,299 3.925,306 1,307 1,308 498,309 2.345,312 109.623,313 140.381,316 96.71,320 1.458,321 13.264,324 0.75,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.84,332 49.5,333 225,334 4.615,335 3.702,336 6.862,337 4.226,338 3.25,339 4.352,340 0.68,341 11.336,342 3.226,343 4.479,344 3.366,345 6.681,346 4.131,347 3.141,348 4.066,350 10.733,351 3.057,352 3.877,353 2.683,354 5.785,355 3.456,356 2.467,357 3.406,359 7.847,360 2.436,361 3.635,362 2.544,363 5.458,364 3.174,365 2.169,366 3.048,368 6.669,369 2.178,370 3.271,371 2.209,372 4.99,373 2.886,374 1.892,375 2.515,377 5.413,378 1.876,379 3.049,380 2.071,381 4.812,382 2.699,383 1.693,384 2.189,386 4.998,387 1.699,388 2.965,389 1.672,390 4.496,391 2.553,392 1.567,393 2.136,395 4.121,396 1.542,397 2.85,398 1.449,399 3.652,400 2.369,401 1.37,402 1.99,404 2.989,405 1.369,406 2.564,407 1.312,408 3.585,409 2.13,410 1.142,411 1.58,413 2.774,414 1.126,415 2.5,416 1.213,417 3.444,418 2,419 1,420 1.5,422 2.136,423 1,424 2.356,425 1,426 3.247,427 1.8,428 0.762,429 1.138,431 1.858,432 0.786,433 1.415,434 0.376,435 3.044,436 1.086,437 0.096,438 0.118,440 0.262,441 0.095,442 1.1,443 0.27,444 2.589,445 0.81,446 -0.192,447 -0.239,449 -0.464,450 -0.191,451 0.827,452 -0.148,453 2.369,454 0.469,455 -0.566,456 -0.731,458 -1.385,459 -0.582,460 0.616,461 -0.636,462 2.213,463 0.191,464 -0.816,465 -1.106,467 -1.941,468 -0.822,469 11.733,470 0.489,471 0.61,472 0.025,473 33.5,474 1.396,475 19,476 0.792,477 14.5,478 0.604,479 17.965,480 0.749,481 23.667,482 0.55,483 22.874,484 0.953,485 6.731,486 0.28,487 4.917,488 0.205,489 0.114,491 0.375,496 0.602,497 1.045,498 0.781,499 0.918,500 0.566,501 0.87,502 0.681,503 1.089,504 0.777,505 0.927,506 0.568,507 0.868,508 1.247,509 1.013,510 1.054,511 0.982,512 0.861,513 0.984,514 1.332,515 1.039,516 1.125,517 1.06,518 1.323,519 1.076,520 0.983,521 1.137,522 1.116,523 1.163,524 1.059,525 1.155,526 0.849,527 0.918,528 0.932,529 0.934,530 0.94,531 0.939,532 1.043,533 0.957,534 0.963,535 0.963,536 1.156,537 0.963,538 1.336,539 0.97,540 1.036,541 0.962,542 1.328,543 0.975,544 4,545 0.031,546 2.889,547 2.993,548 1.148,549 0.803,550 0.482,551 0.332,552 0.246,553 0.119,554 6453,555 14452,556 2.135,557 44.2,558 2,559 11,563 6,567 1.67,568 2,569 3.221,570 -0.905,575 54.511,576 1.268,577 3.071,578 3.884,579 4.61,580 4.973,581 4.973,582 2.705,583 4.304,584 4.559,585 3.357,586 926.53,587 7.87,588 10608.3,590 1,593 233.329,594 1.406,595 4.518,596 0.148,597 0.003,598 0.074,599 0.077,600 0.034,601 0.026,602 0.018,603 0.014,604 0.012,605 0.007,606 0.413,607 0.67,608 0.88,609 0.566,610 112.882,611 0.026,612 -0.054,613 0.059,614 0.009,615 -0.052,616 0.03,617 0.072,618 -0.085,619 0.118,620 0.012,621 0.022,622 0.057,623 -0.113,624 0.046,625 -0.114,626 -0.06,627 0.005,628 -0.076,629 -0.134,630 -0.064,631 -0.155,632 -0.094,633 -0.077,634 -0.121,635 -0.051,636 -0.183,637 -0.163,638 -0.19,639 -0.056,640 -0.186,641 0.131,642 0.059,643 0.087,644 0.061,645 0.03,646 0.068,647 -0.015,648 -0.005,649 0.047,650 0.036,651 -0.032,652 0.043,653 -0.091,654 0.013,655 -0.025,656 0.016,657 -0.049,658 0.002,659 1.505,660 5.599,661 0.833,662 18.361,663 0.986,664 1.103,665 4.239,666 17.966,667 0.705,668 3.332,669 3.689,670 4.025,671 4.331,672 4.489,673 4.511,674 4.682,675 4.812,676 4.82,677 4.898,678 5.616,679 0.662,680 313.42,681 3.332,682 4.89,683 5.771,684 6.673,685 7.57,686 8.477,687 9.38,688 10.289,689 11.195,690 12.106,691 2.3,699 1,709 10,714 6,715 1,716 17,721 1,738 43,739 19,740 2,741 27,743 46,744 22,745 16,746 3,747 9,748 3,752 4,753 5,759 2,763 1,766 1,768 19,769 3,772 2,778 1,780 1,782 2,789 19,790 1,792 2,797 1,803 0.75,804 1,818 1,822 2,823 2,826 1,845 1,846 1,855 3,859 2,862 24,869 1,886 2.3,889 1,893 12,894 8.533,895 5.194,896 2.636,898 3.767,899 1.512,900 1.036,901 3.553,902 11.128,903 3.651,904 4.294,905 4.934,906 5.538,907 6.013,908 6.267,909 6.736,910 7.154,911 7.477,912 7.863,913 1,914 39,915 8.879,917 3.815,918 7.576,919 17.291,921 14.578,924 2.076,925 49.833,928 1,929 223.651,930 150.57,931 1.899,933 25.145,936 150.57,937 248.796,938 1.899,939 17.65,940 2.535,941 104.239,942 30.278,943 17.398,944 5.513,945 223.651,947 223.651,948 152.469,949 25.145,952 223.651,953 25.145,956 22.084,957 120.908,958 9.476,960 223.651,961 27.044,962 150.57,965 223.651,966 28.681,967 123.788,969 25.145,970 223.651,971 27.044,972 150.57,973 0.588,974 0.362,975 0.206,976 0.106,977 21,978 9,979 0.043,980 2,981 1,982 1.1,983 3.612,984 204.894,985 0.1,986 20,987 106.039,993 14.864,994 5.738,995 2.492,997 25.145,998 20.374,1003 6.584,1004 2.235,1006 401.265,1007 37.5,1013 12.599,1015 2.06,1017 1.041,1020 42.382,1021 47.445,1022 0.234,1023 0.566,1024 0.716,1025 0.849,1026 0.916,1027 0.916,1028 4.892,1029 1.37,1030 5.771,1031 4.121,1032 4.369,1033 4.98,1034 0.655,1035 6.637,1036 4.35,1037 6.126,1038 1.142,1039 7.365,1040 2.989,1041 4.007,1042 4.783,1044 7.633,1045 3.966,1046 7.451,1047 1,1048 9.062,1049 2.774,1050 6.009,1051 7.212,1052 0.356,1053 10.793,1054 5.959,1055 8.817,1056 0.762,1057 10.821,1058 2.136,1059 6.509,1060 7.866,1062 12.648,1063 6.433,1064 10.218,1065 0.096,1066 12.619,1067 1.858,1068 7.982,1069 9.743,1070 0.18,1071 15.315,1072 7.899,1073 11.644,1074 -0.192,1075 14.444,1076 0.262,1077 8.868,1078 10.803,1080 17.506,1081 8.761,1082 13.091,1083 -0.566,1084 16.289,1085 -0.464,1086 10.143,1087 12.443,1088 0.087,1089 20.007,1090 10.026,1091 3.25,1092 -0.816,1093 18.149,1094 -1.385,1095 11.193,1096 13.702,1098 22.33,1099 11.057,1100 3.141,1101 11.336,1102 20.02,1103 -1.941,1104 12.395,1105 15.237,1106 0.041,1107 24.773,1108 12.247,1109 2.467,1110 10.733,1111 21.899,1112 4.352,1113 13.513,1114 16.593,1116 27.148,1117 13.349,1118 2.169,1119 7.847,1120 23.786,1121 4.066,1122 14.689,1123 18.081,1124 0.019,1125 29.57,1126 14.514,1127 1.892,1128 6.669,1129 25.678,1130 3.406,1131 15.834,1132 19.485,1134 31.966,1135 15.646,1136 1.693,1137 5.413,1138 27.574,1139 3.048,1140 17.002,1141 20.953,1142 0.009,1143 34.381,1144 16.802,1145 1.567,1146 4.998,1147 29.474,1148 2.515,1149 18.159,1150 22.382,1152 36.786,1153 17.947,1154 6065,1155 9177,1156 18.205,1157 30.313,1158 41.818,1159 42.419,1160 42.777,1161 41.108,1162 41.1,1163 56.078,1164 1.36,1165 122.271,1166 40.778,1167 5.417,1168 5.702,1169 6.664,1170 5.241,1171 5.25,1172 7.352,1173 1.36,1174 18.58,1175 5.226,1176 10.134,1177 1.549,1178 1.571,1179 1.584,1180 1.523,1181 1.522,1182 2.077,1183 0.05,1184 4.529,1185 1.51,1186 4.106,1187 4.137,1188 4.064,1189 4.026,1190 7.427,1191 4.031,1192 3.98,1193 4.005,1194 3.933,1195 3.906,1196 4.874,1197 3.909,1198 3.768,1199 3.802,1200 3.692,1201 3.708,1202 4.72,1203 3.701,1204 3.465,1205 3.501,1206 3.382,1207 3.368,1208 4.604,1209 3.366,1210 3.196,1211 3.29,1212 2.97,1213 3.031,1214 4.113,1215 3.004,1216 2.99,1217 3.029,1218 2.882,1219 2.845,1220 3.857,1221 2.843,1222 2.932,1223 3.014,1224 2.79,1225 2.798,1226 3.674,1227 2.789,1228 2.855,1229 2.931,1230 2.687,1231 2.735,1232 3.661,1233 2.715,1234 0.171,1235 0.137,1236 0.254,1237 0.157,1238 0.12,1239 4.615,1240 0.161,1241 3.702,1242 0.025,1243 6.862,1244 0.42,1245 4.226,1246 0.119,1247 3.25,1248 4.352,1249 0.68,1250 11.336,1251 3.226,1252 1.917,1253 1.884,1254 2.03,1255 2.026,1256 1.163,1257 2.029,1258 1.891,1259 1.869,1260 2.002,1261 1.961,1262 1.124,1263 1.976,1264 1.746,1265 1.725,1266 1.864,1267 1.829,1268 1.018,1269 1.84,1270 1.544,1271 1.487,1272 1.759,1273 1.715,1274 0.856,1275 1.733,1276 1.406,1277 1.366,1278 1.636,1279 1.564,1280 0.79,1281 1.588,1282 1.037,1283 1,1284 1.311,1285 1.216,1286 0.433,1287 1.24,1288 0.942,1289 0.86,1290 1.192,1291 1.164,1292 0.267,1293 1.184,1294 0.886,1295 0.821,1296 1.181,1297 1.097,1298 0.249,1299 1.125,1300 4.007,1302 5.352,1303 3.045,1304 6.893,1305 5.533,1306 8.518,1307 7.703,1308 10.187,1310 4.214,1315 0.726,1326 28.477,1327 54.511,1328 132.056,1329 166.991,1330 198.21,1331 213.82,1332 213.82,1333 32.038,1334 7.361,1335 22,1336 22,1337 22,1338 12.621,1339 4.322,1340 3.524,1341 33.855,1342 81,1343 75,1344 0.208,1345 173.745,1346 300.41,1347 415.698,1348 15018,1350 16.681,1351 0.695,1352 0.58,1353 16.681,1354 13.913,1355 11.648,1356 0.431,1357 0.305,1358 8.188,1359 11.485,1360 7.876,1361 6.571,1362 11.648,1363 8.225,1364 10.607,1365 0.272,1366 0.162,1367 10.607,1368 6.33,1369 9.474,1370 0.172,1371 0.086,1372 9.474,1373 4.749,1374 8.28,1375 0.11,1376 0.048,1377 8.28,1378 3.567,1379 6.392,1380 0.073,1381 0.026,1382 6.392,1383 2.294,1384 0.32,1385 70.965,1386 0.234,1387 23.184,1388 0.585,1389 132,1390 309.381,1391 137.184,1392 312.32,1393 442.81,1394 294,1395 160,1396 338.862,1397 165.656,1398 350.141,1399 514.99,1400 331,1401 6.796}
{0 CHEMBL1339303,1 1.525,2 9.333,3 4.441,4 19.72,5 78.669,6 9.475,7 0.632,8 3.437,9 3.511,10 3.279,11 3.226,12 4.628,13 3.139,14 3.855,15 3.95,16 3.599,17 3.554,18 5.052,19 3.435,20 4.082,21 4.238,22 3.588,23 3.599,24 5.254,25 3.438,26 3.947,27 4.111,28 3.354,29 3.359,30 5.149,31 3.197,32 3.732,33 3.921,34 3.127,35 3.164,36 4.845,37 3.013,38 3.641,39 3.815,40 3.238,41 3.108,42 4.922,43 2.959,44 3.515,45 3.668,46 2.996,47 2.997,48 4.748,49 2.874,50 3.418,51 3.548,52 3.081,53 2.966,54 4.645,55 2.843,56 0.001,57 0.279,58 3.67,59 2.283,60 3.229,61 2.945,62 0.007,63 0.452,64 7.541,65 3.981,66 6.076,67 4.828,68 0.092,69 0.629,70 17.381,71 6.362,72 19.975,73 7.08,74 0.146,75 0.56,76 15.902,77 5.651,78 26.128,79 5.862,80 0.073,81 0.458,82 10.327,83 4.354,84 18.336,85 5.005,86 0.125,87 0.418,88 11.572,89 4.277,90 21.706,91 4.754,92 0.082,93 0.355,94 10.249,95 3.598,96 17.435,97 3.736,98 0.079,99 0.287,100 9.35,101 2.717,102 14.121,103 3.001,104 5,105 24,106 0.291,107 0.488,108 0.668,109 0.802,110 0.821,111 0.821,112 2.958,113 1.057,114 -5.78,115 -5.64,116 -5.25,120 51.7,136 1,138 1,143 9,144 1,145 2,158 1,174 8,177 2,185 14,189 2,197 10,201 3,209 7,222 4,227 3,235 6,240 2,247 6,252 1,260 10,271 6,274 368,275 12.19,276 12.19,277 12.19,278 12.19,279 12.19,280 10.388,281 5.803,282 7.53,283 12.509,284 9.377,285 9.377,286 9.377,287 9.377,288 9.377,289 6.768,290 3.128,291 3.603,292 9.924,293 3.333,294 2.296,295 1.355,296 0.647,297 0.552,298 0.552,299 3.618,303 1,306 1,307 1,308 351,309 2.739,313 130.569,320 1.444,321 12.925,324 0.75,325 0.83,326 1,327 0.5,329 1,330 1,331 0.73,332 37.333,333 168,334 4.196,335 4.407,336 6.026,337 3.825,338 2.813,339 3.775,340 2.95,341 8.571,342 2.847,343 3.903,344 3.489,345 5.34,346 3.441,347 2.519,348 3.451,350 6.965,351 2.318,352 3.681,353 2.905,354 5.022,355 3.195,356 2.282,357 3.062,359 6.019,360 2.025,361 3.103,362 2.751,363 4.176,364 2.561,365 1.627,366 2.263,368 3.867,369 1.478,370 2.882,371 1.969,372 3.645,373 2.392,374 1.414,375 2.015,377 3.137,378 1.349,379 2.5,380 1.707,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.5,389 1,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 2.47,398 1,399 3.185,400 1.824,401 0.883,402 1.254,404 1.939,405 0.795,406 1.283,407 0.644,408 2.517,409 0.813,410 -0.083,411 -0.106,413 -0.189,414 -0.067,415 1.114,416 0.465,417 2,418 0.591,419 -0.304,420 -0.417,422 -0.647,423 -0.229,424 0.576,425 0.344,426 1.917,427 0.143,428 -0.819,429 -1.069,431 -1.742,432 -0.745,433 0.5,434 -0.689,435 1.562,437 -1,438 -1.5,440 -2.347,441 -0.972,442 0.5,443 -1,444 1.555,446 -1,447 -1.5,449 -2.942,450 -1,451 0.147,452 -1,453 1.309,454 -0.326,455 -1.226,456 -1.573,458 -3,459 -1,460 -0.089,461 -1.104,462 1,463 -0.554,464 -1.414,465 -1.928,467 -3.453,468 -1.343,469 9.381,470 0.521,471 0.332,472 0.018,473 25.5,474 1.417,475 15.5,476 0.861,477 10,478 0.556,479 10.482,480 0.582,481 17.619,482 0.608,483 15.307,484 0.85,485 5.193,486 0.288,487 3.561,488 0.198,489 0.112,491 0.213,496 0.479,497 0.806,498 0.597,499 0.712,500 0.541,501 0.748,502 0.637,503 1.083,504 0.842,505 0.997,506 0.621,507 0.997,508 1.061,509 1.086,510 1.214,511 1.182,512 0.961,513 1.071,514 1.424,515 1.122,516 1.214,517 1.236,518 1.611,519 1.138,520 1.03,521 0.954,522 0.766,523 0.889,524 1.299,525 0.909,526 0.652,527 1.006,528 0.943,529 1.098,530 0.724,531 0.904,532 1.505,533 0.919,534 1.168,535 1.046,536 1.569,537 0.902,538 1.288,539 0.995,540 0.739,541 0.843,542 1.478,543 1.04,544 3,545 0.049,546 1.778,547 0.688,548 0.453,549 0.354,550 0.243,551 0.141,552 0.045,553 0.063,554 3103,555 10373,556 2.026,557 37.9,559 10,560 1,567 1.578,568 1.929,569 3.225,570 -0.818,572 1,575 44.224,576 1.525,577 2.562,578 3.503,579 4.211,580 4.306,581 4.306,582 2.711,583 3.392,584 4.144,585 3.34,586 510.998,587 6.99,588 5060.88,590 1,592 1,593 140.881,594 1.224,595 4.116,596 0.158,597 0.008,598 0.074,599 0.031,600 0.028,601 0.025,602 0.017,603 0.011,604 0.004,605 0.007,606 0.364,607 0.67,608 0.88,609 0.584,610 78.658,612 0.045,613 0.026,614 0.053,615 -0.065,616 0.033,617 -0.013,618 -0.189,619 -0.059,620 -0.126,621 -0.005,622 -0.16,623 -0.09,624 -0.098,625 -0.146,626 -0.132,627 0.001,628 -0.1,629 -0.138,630 -0.104,631 -0.16,632 -0.167,633 -0.178,634 -0.159,635 -0.049,636 0.059,637 0.067,638 0.109,639 -0.13,640 0.089,641 0.373,642 0.023,643 0.128,644 0.003,645 0.358,646 0.116,647 -0.19,648 0.087,649 -0.143,650 -0.007,651 -0.094,652 0.056,653 -0.138,654 -0.092,655 0.062,656 -0.026,657 -0.225,658 -0.173,659 1.685,660 4.803,661 0.667,662 12.889,663 1.001,664 1.088,665 4.547,666 20.671,667 0.777,668 2.996,669 3.219,670 3.367,671 3.466,672 3.611,673 3.434,674 3.296,675 3.219,676 3.219,677 3.296,678 5.521,679 0.72,680 274.78,681 2.996,682 4.466,683 5.252,684 6.061,685 6.862,686 7.674,687 8.478,688 9.291,689 10.097,690 10.911,709 9,714 3,716 12,721 1,737 1,738 29,739 14,740 2,741 19,743 30,744 15,745 12,746 3,747 9,748 3,752 2,753 2,754 1,768 15,772 2,778 1,780 2,782 1,786 1,789 11,790 1,792 3,793 2,803 1,804 1,823 2,845 1,855 2,856 1,857 1,860 1,862 18,873 1,885 1,886 3.4,889 1,893 9.333,894 5.143,895 4.111,896 1.598,898 2.611,899 1.443,900 0.974,901 4.623,902 8.505,903 3.332,904 3.85,905 4.344,906 4.787,907 5.259,908 5.172,909 5.282,910 5.411,911 5.627,912 6.006,913 1,914 22,915 6.602,917 2.679,918 7.812,919 12.486,921 9.703,924 2.312,925 41.611,926 0.001,929 129.482,930 148.194,932 39.149,933 25.145,935 32.22,936 115.974,937 193.776,940 7.841,941 94.762,942 30.278,943 8.237,944 11.771,945 149.931,946 39.149,947 129.482,948 115.974,949 25.145,950 71.368,952 129.482,953 25.145,957 106.498,958 48.625,959 32.22,960 129.482,961 25.145,962 187.342,965 129.482,966 45.59,967 102.604,969 64.294,970 129.482,971 25.145,972 187.342,973 0.561,974 0.311,975 0.151,976 0.081,977 10,978 4,979 0.133,980 4,982 1,983 3.195,984 114.017,986 12,987 67.059,989 1,993 12.938,994 6.433,995 4.038,997 25.145,998 16.787,1003 2.385,1006 341.97,1007 27,1013 11.803,1015 3.368,1017 -0.018,1020 29.029,1021 31.565,1022 0.314,1023 0.527,1024 0.721,1025 0.867,1026 0.886,1027 0.886,1028 4.489,1029 0.883,1030 5.176,1031 2.136,1032 3.892,1033 4.533,1034 2.913,1035 5.838,1036 3.797,1037 5.661,1038 -0.083,1039 6.645,1040 1.939,1041 3.219,1042 3.98,1044 6.447,1045 3.035,1046 6.916,1047 -0.304,1048 8.212,1049 -0.189,1050 5.342,1051 6.614,1052 5.027,1053 9.453,1054 5.191,1055 8.206,1056 -0.819,1057 9.838,1058 -0.647,1059 5.485,1060 6.856,1062 10.914,1063 5.294,1064 9.523,1065 -1,1066 11.502,1067 -1.742,1068 7.045,1069 8.928,1070 7.185,1071 13.387,1072 6.878,1073 10.86,1074 -1,1075 13.194,1076 -2.347,1077 7.588,1078 9.574,1080 15.207,1081 7.424,1082 12.213,1083 -1.226,1084 14.904,1085 -2.942,1086 8.879,1087 11.357,1088 9.348,1089 17.48,1090 8.729,1091 2.813,1092 -1.414,1093 16.63,1094 -3,1095 9.635,1096 12.237,1098 19.466,1099 9.51,1100 2.519,1101 8.571,1102 18.366,1103 -3.453,1104 10.789,1105 13.85,1106 11.511,1107 21.659,1108 10.678,1109 2.282,1110 6.965,1111 20.111,1112 3.775,1113 11.662,1114 14.878,1116 23.726,1117 11.584,1118 1.627,1119 6.019,1120 21.863,1121 3.451,1122 12.747,1123 16.386,1124 13.675,1125 25.887,1126 12.685,1127 1.414,1128 3.867,1129 23.621,1130 3.062,1131 13.685,1132 17.511,1134 27.993,1135 13.658,1136 1,1137 3.137,1138 25.383,1139 2.263,1140 14.736,1141 18.95,1142 15.838,1143 30.143,1144 14.728,1145 1,1146 2.275,1147 27.15,1148 2.015,1149 15.711,1150 20.14,1152 32.269,1153 15.735,1154 3095,1155 5757,1156 12.712,1157 22.529,1158 27.734,1159 30.403,1160 27.688,1161 27.318,1162 27.075,1163 37.641,1164 5.9,1165 69.814,1166 25.625,1167 4.933,1168 6.407,1169 5.828,1170 4.909,1171 4.813,1172 6.775,1173 5.9,1174 14.47,1175 4.847,1176 7.189,1177 1.46,1178 1.6,1179 1.457,1180 1.438,1181 1.425,1182 1.981,1183 0.311,1184 3.674,1185 1.349,1186 3.943,1187 3.959,1188 4.047,1189 3.903,1190 7.428,1191 3.886,1192 3.867,1193 3.892,1194 3.97,1195 3.835,1196 4.932,1197 3.813,1198 3.503,1199 3.519,1200 3.605,1201 3.442,1202 4.748,1203 3.412,1204 2.997,1205 3.001,1206 3.378,1207 2.969,1208 4.313,1209 2.913,1210 2.854,1211 2.925,1212 2.973,1213 2.735,1214 4.157,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.761,1223 2.81,1224 2.687,1225 2.686,1226 3.674,1227 2.659,1228 2.447,1229 2.451,1230 2.52,1231 2.223,1232 3.574,1233 2.221,1234 0.221,1235 0.232,1236 0.317,1237 0.201,1238 0.148,1239 4.196,1240 0.199,1241 4.407,1242 0.155,1243 6.026,1244 0.451,1245 3.825,1246 0.15,1247 2.813,1248 3.775,1249 2.95,1250 8.571,1251 2.847,1252 1.912,1253 1.896,1254 1.993,1255 1.981,1256 1.09,1257 1.994,1258 1.873,1259 1.85,1260 1.979,1261 1.938,1262 1.061,1263 1.962,1264 1.473,1265 1.455,1266 1.582,1267 1.585,1268 0.651,1269 1.603,1270 0.944,1271 0.938,1272 1.181,1273 1.062,1274 0.218,1275 1.107,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.056,1285 1.051,1286 0.198,1287 1.082,1288 0.768,1289 0.724,1290 0.969,1291 0.915,1292 0.079,1293 0.951,1294 0.296,1295 0.283,1296 0.549,1297 0.601,1299 0.593,1300 3.664,1302 4.905,1304 6.34,1306 7.854,1308 9.403,1311 5.767,1319 1.519,1326 20.89,1327 44.224,1328 74.298,1329 101.597,1330 122.127,1331 124.881,1332 124.881,1333 26.423,1334 5.894,1335 17.07,1336 42.37,1337 12,1338 11.498,1339 3.907,1340 3.17,1341 31.301,1342 60,1343 50,1344 0.255,1345 139.91,1346 242.93,1347 333.14,1348 2425,1349 3.4,1350 12.795,1351 0.711,1352 0.618,1353 13.648,1354 11.118,1355 8.754,1356 0.461,1357 0.352,1358 5.53,1359 7.873,1360 5.271,1361 4.396,1362 9.497,1363 6.695,1364 7.432,1365 0.31,1366 0.209,1367 8.45,1368 5.021,1369 5.862,1370 0.209,1371 0.12,1372 6.763,1373 3.364,1374 4.295,1375 0.139,1376 0.07,1377 5.115,1378 2.173,1379 3.303,1380 0.092,1381 0.041,1382 4.083,1383 1.485,1384 0.409,1385 60.818,1386 0.28,1387 18.682,1388 0.669,1389 86,1390 256.799,1391 125.905,1392 305.885,1393 398.75,1394 284,1395 95,1396 241.899,1397 123.455,1398 273.141,1399 389.29,1400 257,1401 5.043}
{0 CHEMBL1339678,1 1.448,2 10.048,3 2.972,4 8.833,5 83.354,6 7.035,7 0.522,8 3.773,9 3.903,10 3.3,11 3.329,12 4.814,13 3.294,14 4.31,15 4.495,16 3.607,17 3.7,18 5.314,19 3.634,20 4.598,21 4.846,22 3.616,23 3.807,24 5.553,25 3.701,26 4.538,27 4.794,28 3.45,29 3.711,30 5.495,31 3.588,32 4.436,33 4.687,34 3.353,35 3.619,36 5.439,37 3.493,38 4.296,39 4.553,40 3.162,41 3.48,42 5.206,43 3.342,44 4.104,45 4.371,46 2.997,47 3.292,48 4.963,49 3.153,50 3.949,51 4.215,52 2.869,53 3.115,54 4.813,55 2.987,56 0.027,57 0.591,58 8.599,59 3.58,60 5.367,61 4.984,62 0.14,63 0.957,64 15.81,65 5.839,66 15.871,67 8.447,68 0.269,69 1.166,70 22.631,71 7.747,72 32.973,73 11.39,74 0.182,75 1.05,76 21.443,77 7.583,78 30.574,79 10.988,80 0.195,81 0.921,82 19.451,83 7.303,84 35.976,85 10.226,86 0.152,87 0.818,88 16.832,89 6.109,90 26.013,91 8.818,92 0.161,93 0.694,94 13.83,95 4.84,96 16.935,97 7.258,98 0.114,99 0.58,100 11.862,101 4.239,102 12.608,103 6.18,104 2,105 30,106 0.258,107 0.567,108 0.702,109 0.796,110 0.814,111 0.814,112 3.102,113 0.965,114 -3.59,115 -3.56,116 -3.39,120 42.5,122 3,126 2,143 7,145 2,146 1,147 1,159 1,174 6,177 6,180 1,182 2,185 4,188 1,189 5,192 1,194 3,197 2,201 3,206 1,209 4,214 5,217 1,219 1,222 8,227 2,235 6,239 1,245 2,247 4,251 1,252 1,257 1,260 2,264 3,274 545,275 14.552,276 14.552,277 14.552,278 14.552,279 14.552,280 13.01,281 17.198,282 8.947,283 14.757,284 11.382,285 11.382,286 11.382,287 11.382,288 11.382,289 9.1,290 24.013,291 4.283,292 11.711,293 3.874,294 2.141,295 1.379,296 0.85,297 0.75,298 0.75,299 3.789,305 1,306 1,307 1,308 457,309 2.449,313 219.546,320 1.669,321 13.93,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44.5,333 211,334 4.202,335 3.571,336 6.145,337 3.856,338 2.892,339 3.745,340 1.058,341 9.063,342 2.799,343 4.09,344 3.102,345 6.047,346 3.761,347 2.792,348 3.622,349 0.8,350 8.676,351 2.689,352 3.665,353 2.511,354 5.311,355 3.333,356 2.368,357 2.952,359 6.842,360 2.278,361 3.23,362 2.173,363 4.465,364 2.835,365 1.85,366 2.474,368 4.569,369 1.818,370 2.953,371 1.872,372 4.17,373 2.685,374 1.685,375 2.012,377 3.874,378 1.679,379 2.555,380 1.324,381 3.514,382 2.154,383 1.185,384 1.512,386 2.731,387 1.145,388 2.5,389 1.286,390 3.427,391 2,392 1,393 1.5,395 2.421,396 1,397 2.5,398 1.077,399 3.414,400 1.999,401 1,402 1.5,404 2.275,405 0.992,406 2.252,407 1,408 3.247,409 1.984,410 1,411 1.226,413 2.136,414 0.983,415 2,416 1,417 3.247,418 1.955,419 1,420 1,422 2.136,423 0.952,424 1.283,425 0.535,426 2.698,427 0.941,428 -0.043,429 -0.053,431 -0.103,432 -0.042,433 0.756,434 -0.234,435 2.302,436 0.354,437 -0.626,438 -0.699,440 -1.487,441 -0.609,442 0.621,443 -0.597,444 2,445 0.254,446 -0.76,447 -1,449 -1.631,450 -0.761,451 0.5,452 -0.784,453 1.738,454 0.002,455 -1,456 -1.052,458 -2.275,459 -0.946,460 0.5,461 -0.854,462 1.555,464 -1,465 -1.311,467 -2.347,468 -0.973,469 10.033,470 0.478,471 0.346,472 0.016,473 28,474 1.333,475 14.5,476 0.69,477 13.5,478 0.643,479 14.285,480 0.68,481 22.367,482 0.559,483 17.563,484 0.836,485 5.366,486 0.256,487 4.96,488 0.236,489 0.033,491 0.239,496 0.745,497 1.358,498 0.83,499 1.096,500 0.536,501 0.988,502 0.804,503 1.296,504 0.979,505 1.123,506 0.531,507 1.071,508 0.941,509 0.972,510 0.969,511 0.947,512 0.72,513 0.951,514 1.064,515 0.983,516 0.997,517 1.01,518 0.95,519 0.994,520 1.125,521 0.903,522 0.949,523 0.977,524 1.435,525 0.963,526 1.046,527 0.995,528 1.013,529 0.992,530 1.142,531 1.003,532 0.651,533 0.965,534 0.971,535 0.965,536 0.518,537 0.989,538 0.803,539 0.92,540 0.914,541 0.985,542 0.814,543 0.961,544 3,545 0.021,546 2,547 0.875,548 0.644,549 0.521,550 0.2,551 0.158,552 0.164,553 0.074,554 4909,555 10946,556 2.131,557 47.5,558 2,559 11,561 1,562 1,564 4,567 1.625,568 2.066,569 3.319,570 -0.338,571 1,572 1,574 1,575 57.925,576 1.448,577 3.181,578 3.943,579 4.472,580 4.572,581 4.572,582 2.761,583 3.69,584 4.364,585 3.452,586 724.874,587 7.443,588 7889.21,589 1,590 1,591 1,592 1,593 212.877,594 1.049,595 4.355,596 0.13,597 0.002,598 0.067,599 0.03,600 0.027,601 0.024,602 0.011,603 0.011,604 0.013,605 0.006,606 0.32,607 0.83,608 1,609 0.418,610 96.495,611 -0.013,612 -0.178,613 0.055,614 -0.047,615 0.007,616 0.001,617 0.067,618 -0.179,619 -0.048,620 -0.133,621 0.09,622 -0.109,623 0.06,624 0.042,625 0.011,626 0.005,627 0.119,628 0.005,629 -0.059,630 -0.021,631 -0.016,632 -0.042,633 0.064,634 -0.021,635 -0.003,636 0.012,637 0.038,638 0.019,639 -0.02,640 0.027,641 -0.09,642 -0.054,643 -0.037,644 -0.01,645 -0.101,646 -0.019,647 0.106,648 0.018,649 -0.004,650 -0.005,651 0.012,652 -0.013,653 0.094,654 0.036,655 0.067,656 -0.021,657 -0.006,658 0.016,659 1.846,660 5.017,661 0.857,662 17.764,663 0.993,664 1.126,665 2.357,666 5.555,667 0.664,668 3.178,669 3.434,670 3.664,671 3.85,672 4.043,673 3.932,674 4.043,675 4.078,676 4.111,677 4.111,678 5.911,679 0.625,680 281.39,681 3.178,682 4.673,683 5.493,684 6.33,685 7.163,686 8.004,687 8.842,688 9.685,689 10.525,690 11.368,691 7.5,697 1,698 1,701 1,709 8,710 1,714 3,716 12,723 1,732 1,738 40,739 13,740 1,741 23,743 42,744 17,745 11,746 2,747 4,748 1,752 3,753 3,763 3,766 3,768 12,769 5,772 1,778 1,782 1,785 1,786 1,789 19,790 4,791 1,792 4,797 3,803 1,804 1,816 1,823 3,855 3,862 21,869 5,871 1,875 1,886 2.5,889 1,893 10.167,894 6.983,895 4.722,896 2.568,898 2.108,899 1.32,900 0.99,901 4.391,902 8.703,903 3.434,904 3.932,905 4.431,906 4.905,907 5.392,908 5.357,909 5.668,910 5.841,911 6.067,912 6.29,913 0.857,914 29,915 7.768,917 3.236,918 7.627,919 15.133,921 12.336,924 2.127,925 44.667,926 0.001,929 211.88,930 100.171,931 37.921,933 25.145,936 100.171,937 237.025,938 37.921,940 29.826,941 66.334,942 58.406,943 20.442,945 200.109,947 211.88,948 138.092,949 25.145,952 164.795,953 72.229,956 41.63,957 79.676,958 16.786,960 211.88,961 63.066,962 100.171,965 211.88,966 24.79,967 78.505,968 18.011,969 41.93,970 211.88,971 63.066,972 100.171,973 0.564,974 0.326,975 0.173,976 0.093,977 14,978 5,979 0.071,980 3,982 1,983 3.507,984 152.74,986 18,987 84.239,993 13.934,994 6.618,995 3.544,997 63.066,998 14.964,999 4.046,1003 2.453,1005 18.011,1006 375.116,1007 30,1013 12.017,1017 -0.179,1020 39.702,1021 45.026,1022 0.272,1023 0.598,1024 0.741,1025 0.84,1026 0.859,1027 0.859,1028 4.625,1029 1,1030 5.425,1031 2.421,1032 4.111,1033 4.615,1034 1.435,1035 6.146,1036 4.055,1037 5.77,1038 1,1039 6.923,1040 2.275,1041 3.434,1042 4.086,1043 0.325,1044 6.862,1045 3.334,1046 7.026,1047 1,1048 8.523,1049 2.136,1050 5.609,1051 6.656,1052 1.379,1053 9.934,1054 5.483,1055 8.316,1056 -0.043,1057 10.188,1058 2.136,1059 5.802,1060 6.96,1061 0.268,1062 11.515,1063 5.625,1064 9.641,1065 -0.626,1066 11.894,1067 -0.103,1068 7.383,1069 8.973,1070 1.406,1071 14.043,1072 7.184,1073 10.988,1074 -0.76,1075 13.629,1076 -1.487,1077 7.996,1078 9.679,1079 0.188,1080 15.965,1081 7.747,1082 12.353,1083 -1,1084 15.382,1085 -1.631,1086 9.299,1087 11.417,1088 1.462,1089 18.292,1090 9.027,1091 2.892,1092 -1,1093 17.149,1094 -2.275,1095 10.125,1096 12.346,1097 0.125,1098 20.359,1099 9.807,1100 2.792,1101 9.063,1102 18.926,1103 -2.347,1104 11.294,1105 13.928,1106 1.533,1107 22.605,1108 10.95,1109 2.368,1110 8.676,1111 20.709,1112 3.745,1113 12.229,1114 14.991,1115 0.082,1116 24.737,1117 11.843,1118 1.85,1119 6.842,1120 22.497,1121 3.622,1122 13.333,1123 16.477,1124 1.613,1125 26.95,1126 12.919,1127 1.685,1128 4.569,1129 24.289,1130 2.952,1131 14.323,1132 17.625,1133 0.054,1134 29.112,1135 13.871,1136 1.185,1137 3.874,1138 26.084,1139 2.474,1140 15.397,1141 19.05,1142 1.698,1143 31.311,1144 14.914,1145 1,1146 2.731,1147 27.881,1148 2.012,1149 16.416,1150 20.254,1151 0.035,1152 33.488,1153 15.896,1154 4686,1155 7146,1156 15.89,1157 26.563,1158 33.808,1159 34.695,1160 33.977,1161 33.559,1162 33.546,1163 43.086,1164 3.717,1165 89.442,1166 32.671,1167 5.202,1168 5.571,1169 5.947,1170 4.896,1171 4.892,1172 6.745,1173 2.117,1174 15.266,1175 4.799,1176 5.445,1177 1.47,1178 1.508,1179 1.477,1180 1.459,1181 1.459,1182 1.873,1183 0.162,1184 3.889,1185 1.42,1186 3.985,1187 4.028,1188 3.923,1189 3.879,1190 7.429,1191 3.884,1192 3.863,1193 3.906,1194 3.801,1195 3.75,1196 4.869,1197 3.757,1198 3.735,1199 3.79,1200 3.606,1201 3.616,1202 4.751,1203 3.604,1204 3.315,1205 3.355,1206 3.249,1207 3.098,1208 4.265,1209 3.131,1210 3.111,1211 3.206,1212 2.886,1213 2.941,1214 3.885,1215 2.91,1216 3.019,1217 3.096,1218 2.866,1219 2.828,1220 3.824,1221 2.833,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.786,1229 2.867,1230 2.633,1231 2.61,1232 3.581,1233 2.606,1234 0.183,1235 0.155,1236 0.267,1237 0.168,1238 0.126,1239 4.202,1240 0.163,1241 3.571,1242 0.046,1243 6.145,1244 0.394,1245 3.856,1246 0.122,1247 2.892,1248 3.745,1249 1.058,1250 9.063,1251 2.799,1252 1.934,1253 1.897,1254 2.079,1255 2.069,1256 1.404,1257 2.074,1258 1.831,1259 1.793,1260 1.964,1261 1.977,1262 1.074,1263 1.974,1264 1.742,1265 1.687,1266 1.918,1267 1.876,1268 0.943,1269 1.895,1270 1.212,1271 1.175,1272 1.513,1273 1.468,1274 0.825,1275 1.438,1276 1.153,1277 1.064,1278 1.374,1279 1.376,1280 0.593,1281 1.429,1282 0.989,1283 0.917,1284 1.269,1285 1.242,1286 0.308,1287 1.26,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.786,1295 0.709,1296 1.084,1297 1.006,1298 0.131,1299 1.039,1300 3.85,1302 5.118,1304 6.594,1306 8.152,1308 9.747,1315 6.102,1317 2.868,1321 2.397,1326 24.993,1327 57.925,1328 127.251,1329 157.716,1330 178.877,1331 182.877,1332 182.877,1333 27.713,1334 6.594,1335 45.23,1336 45.23,1337 18,1338 11.932,1339 3.807,1340 3,1341 32.422,1342 75,1343 63,1344 0.213,1345 155.547,1346 267.09,1347 371.296,1348 5969,1350 14.493,1351 0.69,1352 0.569,1353 14.493,1354 11.957,1355 10.326,1356 0.449,1357 0.322,1358 7.327,1359 10.025,1360 7.195,1361 5.982,1362 10.326,1363 7.402,1364 8.79,1365 0.293,1366 0.175,1367 8.79,1368 5.264,1369 7.368,1370 0.194,1371 0.099,1372 7.368,1373 3.744,1374 5.922,1375 0.129,1376 0.057,1377 5.922,1378 2.6,1379 4.754,1380 0.085,1381 0.033,1382 4.754,1383 1.822,1384 0.339,1385 63.974,1386 0.251,1387 21.25,1388 0.568,1389 106,1390 279.359,1391 114.403,1392 274.548,1393 378.01,1394 258,1395 121,1396 279.172,1397 129.738,1398 283.32,1399 410.56,1400 268,1401 6.796}
{0 CHEMBL1339909,1 1.884,2 7.158,3 2.702,4 7.299,5 70.113,6 9.597,7 0.6,8 3.496,9 3.559,10 3.463,11 3.137,12 4.771,13 3.094,14 3.978,15 4.07,16 3.757,17 3.477,18 5.623,19 3.448,20 4.179,21 4.293,22 3.882,23 3.592,24 5.667,25 3.543,26 4.302,27 4.435,28 3.868,29 3.478,30 5.887,31 3.467,32 4.17,33 4.298,34 3.599,35 3.23,36 6.114,37 3.285,38 3.766,39 3.888,40 3.133,41 3.059,42 5.246,43 3.042,44 3.828,45 4.009,46 2.789,47 2.866,48 5.254,49 2.826,50 3.398,51 3.634,52 2.238,53 2.419,54 4.595,55 2.335,56 0.163,57 0.434,58 5.241,59 3.036,60 24.034,61 2.703,62 0.381,63 0.656,64 7.942,65 4.559,66 83.279,67 4.477,68 0.383,69 0.818,70 12.677,71 5.996,72 54.362,73 5.654,74 0.656,75 0.826,76 20.243,77 6.816,78 107.583,79 5.838,80 0.882,81 0.642,82 14.308,83 4.835,84 193.962,85 4.062,86 0.304,87 0.502,88 9.357,89 3.613,90 47.935,91 3.049,92 0.459,93 0.458,94 9.315,95 3.515,96 82.196,97 3.375,98 0.269,99 0.307,100 7.082,101 2.343,102 49.181,103 2.726,104 27,105 29,106 0.354,107 0.628,108 0.73,109 0.804,110 0.804,111 0.804,112 3.012,113 1.023,114 -3.17,115 -3.16,116 -3.04,120 41.4,121 1,143 6,144 1,145 2,146 1,148 1,167 2,174 6,176 2,177 2,185 6,188 3,189 8,197 4,200 4,201 10,213 4,214 8,222 2,227 9,235 4,240 6,247 3,252 3,260 2,264 2,271 1,274 420,275 12.17,276 12.17,277 12.17,278 12.17,279 12.17,280 10.151,281 10.078,282 7.034,283 12.563,284 9.82,285 9.82,286 9.82,287 9.82,288 9.82,289 6.822,290 7.92,291 3.272,292 10.489,293 2.974,294 1.514,295 0.975,296 0.578,297 0.578,298 0.578,299 3.657,306 1,307 1,308 277,309 3.317,313 126.024,320 1.13,321 37.915,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43,333 136,334 5.004,335 5.359,336 7.731,337 4.42,338 3.555,339 4.904,340 2.95,341 13.955,342 3.054,343 4.229,344 3.793,345 6.28,346 3.698,347 2.742,348 3.916,349 2.612,350 9.04,351 2.609,352 3.838,353 3.107,354 5.322,355 3.375,356 2.386,357 3.399,359 6.366,360 2.343,361 3.423,362 2.518,363 4.966,364 2.793,365 1.844,366 2.821,368 5.232,369 1.743,370 3.071,371 1.946,372 4.256,373 2.552,374 1.573,375 2.292,377 3.817,378 1.533,379 2.68,380 1.334,381 3.678,382 2.067,383 1.088,384 1.702,386 2.719,387 1.062,388 2.589,389 1.185,390 3.466,391 2,392 1,393 1.584,395 2.303,396 1,397 2.5,398 1,399 3.414,400 1.967,401 1,402 1.5,404 2.275,405 0.965,406 1.12,407 1,408 2.898,409 0.757,410 -0.218,411 -0.274,413 -0.48,414 -0.209,415 1,416 0.596,417 2.53,418 0.389,419 -0.537,420 -0.752,422 -1.345,423 -0.49,424 1,425 0.04,426 2,427 0.083,428 -0.884,429 -1.287,431 -2,432 -0.848,433 0.918,434 -0.41,435 2,437 -1,438 -1.5,440 -2.153,441 -1,442 0.599,443 -0.611,444 2,446 -1,447 -1.539,449 -3,450 -1,451 0.5,452 -1,453 1.806,455 -1,456 -2,458 -3,459 -1,460 0.001,461 -1,462 1.65,463 -0.288,464 -1.247,465 -2,467 -3.065,468 -1.142,469 8.967,470 0.472,471 0.66,472 0.035,473 29.75,474 1.566,475 18,476 0.947,477 11.75,478 0.618,479 10.165,480 0.535,481 20.433,482 0.705,483 21.729,484 1.144,485 5.83,486 0.307,487 3.096,488 0.163,489 0.204,490 0.093,491 0.268,496 0.298,497 1.079,498 0.786,499 1.15,500 0.588,501 0.884,502 0.523,503 1.094,504 0.707,505 0.954,506 0.512,507 0.879,508 0.705,509 1.2,510 1.066,511 1.262,512 0.695,513 1.077,514 1.131,515 1.127,516 1.259,517 1.309,518 1.244,519 1.01,520 1.388,521 0.781,522 0.883,523 0.666,524 1.341,525 0.73,526 1.204,527 1.198,528 1.4,529 1.271,530 1.028,531 1.221,532 1.479,533 0.882,534 0.984,535 0.759,536 1.444,537 1.146,538 1.059,539 0.765,540 0.835,541 0.675,542 0.996,543 1.03,544 5,546 3.333,547 2.125,548 1.342,549 0.778,550 0.262,551 0.201,552 0.127,553 0.016,554 2656,555 10506,556 1.923,557 34.5,558 3,559 6,561 1,567 1.61,568 1.74,569 2.835,570 -0.621,572 1,573 1,574 1,575 54.643,576 1.884,577 3.344,578 3.883,579 4.28,580 4.28,581 4.28,582 2.268,583 3.432,584 4.22,585 2.94,586 502.77,587 7.222,588 4809.6,589 1,590 1,591 1,592 1,593 140.881,594 1.763,595 4.128,596 0.25,598 0.115,599 0.069,600 0.046,601 0.031,602 0.015,603 0.018,604 0.021,605 0.005,606 0.571,607 0.67,608 1,609 0.954,610 80.378,611 0.262,612 0.07,613 0.218,614 0.008,615 -0.077,616 0.022,617 0.22,618 -0.067,619 0.159,620 0.048,621 0.23,622 0.04,623 0.059,624 -0.133,625 0.011,626 -0.153,627 0.046,628 -0.123,629 -0.021,630 -0.122,631 -0.029,632 -0.18,633 -0.11,634 -0.037,635 0.028,636 0.11,637 -0.008,638 0.179,639 0.154,640 0.153,641 -0.309,642 -0.175,643 -0.494,644 -0.313,645 -0.149,646 -0.321,647 -0.371,648 -0.05,649 -0.241,650 -0.009,651 -0.322,652 -0.178,653 -0.173,654 0.088,655 -0.013,656 0.089,657 -0.159,658 0.044,659 4.901,660 5.303,661 0.632,662 11.28,663 1.039,664 1.118,665 1.94,666 3.762,667 0.708,668 3.045,669 3.401,670 3.638,671 3.829,672 4.007,673 3.892,674 3.784,675 3.638,676 3.664,677 3.296,678 4.381,679 0.696,680 278.31,681 3.045,682 4.595,683 5.442,684 6.337,685 7.213,686 8.112,687 8.997,688 9.898,689 10.788,690 11.69,691 6.9,701 1,702 1,709 7,710 1,714 4,716 12,731 1,738 29,739 16,740 1,741 20,743 30,744 12,745 11,746 2,747 4,752 2,753 2,759 1,768 11,769 1,772 4,775 1,776 1,778 4,786 1,789 10,790 5,792 7,793 1,797 2,803 1,804 4,816 1,823 2,855 2,857 1,859 1,862 19,865 1,886 13.8,889 2,892 2,893 10.917,894 5.567,895 4.139,896 1.546,898 2.478,899 1.407,900 0.962,901 3.43,902 8.567,903 3.434,904 4.111,905 4.635,906 5.16,907 5.688,908 5.777,909 5.992,910 5.975,911 6.427,912 6.386,913 0.8,914 31,915 7.327,917 3.53,918 8.478,919 12.596,921 10.232,924 2.978,925 56.583,929 117.711,930 89.391,931 22.456,933 95.06,935 6.046,936 83.345,937 212.771,938 22.456,939 14.495,941 62.903,942 72.87,943 16.54,944 1.122,945 105.94,946 50.747,947 117.711,948 105.801,949 95.06,950 6.046,952 117.711,953 44.313,954 50.747,956 17.873,957 65.472,958 28.502,960 117.711,961 117.515,962 89.391,964 6.046,965 117.711,966 8.615,967 80.4,969 111.845,970 117.711,971 117.515,972 89.391,973 0.596,974 0.348,975 0.177,976 0.1,977 14,978 7,979 0.1,980 3,982 1,983 2.928,984 138.883,986 12,987 72.711,992 1,993 13.343,994 4.884,995 2.526,997 111.845,998 9.726,999 3.641,1003 -0.179,1006 324.618,1007 30,1010 -0.756,1011 -3.984,1013 46.317,1020 30.124,1021 32.415,1022 0.388,1023 0.688,1024 0.799,1025 0.881,1026 0.881,1027 0.881,1028 4.663,1029 1,1030 5.501,1031 2.303,1032 4.078,1033 4.796,1034 3.388,1035 6.415,1036 3.941,1037 5.949,1038 -0.218,1039 7.148,1040 2.275,1041 4.007,1042 5.017,1043 2.361,1044 7.849,1045 3.69,1046 7.334,1047 -0.537,1048 8.924,1049 -0.48,1050 5.826,1051 7.204,1052 5.372,1053 10.942,1054 5.463,1055 8.768,1056 -0.884,1057 10.782,1058 -1.345,1059 6.567,1060 8.227,1061 4.506,1062 13.2,1063 5.972,1064 10.24,1065 -1,1066 12.693,1067 -2,1068 7.98,1069 9.989,1070 7.439,1071 15.956,1072 7.317,1073 11.74,1074 -1,1075 14.64,1076 -2.153,1077 9.041,1078 11.337,1079 6.556,1080 18.469,1081 8.146,1082 13.263,1083 -1,1084 16.612,1085 -3,1086 10.335,1087 12.968,1088 9.539,1089 21.139,1090 9.334,1091 3.555,1092 -1.247,1093 18.602,1094 -3,1095 11.52,1096 14.45,1097 8.548,1098 23.733,1099 10.307,1100 2.742,1101 13.955,1102 20.605,1103 -3.065,1104 12.783,1105 16.042,1106 11.658,1107 26.378,1108 11.435,1109 2.386,1110 9.04,1111 22.618,1112 4.904,1113 14.016,1114 17.582,1115 10.509,1116 28.999,1117 12.475,1118 1.844,1119 6.366,1120 24.639,1121 3.916,1122 15.275,1123 19.164,1124 13.789,1125 31.638,1126 13.584,1127 1.573,1128 5.232,1129 26.664,1130 3.399,1131 16.527,1132 20.729,1133 12.452,1134 34.269,1135 14.656,1136 1.088,1137 3.817,1138 28.694,1139 2.821,1140 17.788,1141 22.312,1142 15.928,1143 36.905,1144 15.76,1145 1,1146 2.719,1147 30.728,1148 2.292,1149 19.048,1150 23.888,1151 14.386,1152 39.539,1153 16.85,1154 2783,1155 5697,1156 12.425,1157 20.523,1158 30.669,1159 32.695,1160 31.829,1161 30.463,1162 30.378,1163 44.239,1164 11.125,1165 91.415,1166 28.616,1167 5.769,1168 7.359,1169 7.409,1170 5.542,1171 5.555,1172 7.904,1173 5.9,1174 22.306,1175 5.054,1176 11.127,1177 1.533,1178 1.635,1179 1.591,1180 1.523,1181 1.519,1182 2.212,1183 0.556,1184 4.571,1185 1.431,1186 4.141,1187 4.121,1188 4.755,1189 4.136,1190 7.816,1191 4.047,1192 3.874,1193 3.904,1194 3.85,1195 3.756,1196 7.714,1197 3.762,1198 3.59,1199 3.563,1200 3.711,1201 3.484,1202 6.999,1203 3.416,1204 3.426,1205 3.454,1206 3.393,1207 2.994,1208 6.999,1209 3.098,1210 3.038,1211 3.114,1212 2.849,1213 2.865,1214 4.813,1215 2.835,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.696,1221 2.715,1222 2.618,1223 2.7,1224 2.501,1225 2.359,1226 3.83,1227 2.385,1228 2.411,1229 2.47,1230 2.326,1231 2.206,1232 3.777,1233 2.223,1234 0.25,1235 0.268,1236 0.387,1237 0.221,1238 0.178,1239 5.004,1240 0.245,1241 5.359,1242 0.148,1243 7.731,1244 0.698,1245 4.42,1246 0.153,1247 3.555,1248 4.904,1249 2.95,1250 13.955,1251 3.054,1252 2.016,1253 2.031,1254 2.03,1255 2.113,1256 1.238,1257 2.12,1258 1.827,1259 1.797,1260 1.913,1261 1.976,1262 0.995,1263 1.964,1264 1.418,1265 1.439,1266 1.526,1267 1.655,1268 0.698,1269 1.612,1270 1.161,1271 1.128,1272 1.254,1273 1.529,1274 0.382,1275 1.521,1276 1.023,1277 0.964,1278 1.181,1279 1.255,1280 0.218,1281 1.306,1282 0.886,1283 0.821,1284 0.977,1285 1.062,1286 0.08,1287 1.107,1288 0.549,1289 0.471,1290 0.824,1291 0.844,1293 0.856,1294 0.386,1295 0.32,1296 0.653,1297 0.614,1299 0.652,1300 3.714,1302 5.056,1304 6.611,1306 8.259,1308 9.956,1310 1.819,1326 20.196,1327 54.643,1328 96.965,1329 112.617,1330 124.127,1331 124.127,1332 124.127,1333 48.901,1334 6.089,1335 92.85,1336 101.23,1337 12,1338 12.213,1339 4.087,1340 3.459,1341 33.369,1342 48,1343 55,1344 0.351,1345 131.304,1346 226.83,1347 312.143,1348 2654,1350 14.044,1351 0.739,1352 0.568,1353 14.294,1354 10.794,1355 8.926,1356 0.446,1357 0.341,1358 5.382,1359 7.736,1360 5.109,1361 4.276,1362 9.714,1363 6.822,1364 8.577,1365 0.296,1366 0.199,1367 9.877,1368 5.766,1369 6.699,1370 0.181,1371 0.115,1372 8.027,1373 4.25,1374 5.188,1375 0.115,1376 0.064,1377 6.446,1378 2.893,1379 4.141,1380 0.077,1381 0.038,1382 5.304,1383 2.056,1384 0.519,1385 64.793,1386 0.284,1387 18.486,1388 1.066,1389 98,1390 395.093,1391 150.094,1392 397.057,1393 515.9,1394 358,1395 115,1396 343.583,1397 175.079,1398 378.617,1399 546.39,1400 351,1401 5.407}
{0 CHEMBL1340124,1 1.684,2 12.923,3 4.286,4 18.37,5 100.993,6 8.055,7 0.429,8 3.898,9 4.005,10 3.526,11 3.399,12 5.125,13 3.404,14 4.414,15 4.569,16 3.847,17 3.764,18 5.707,19 3.754,20 4.617,21 4.815,22 3.849,23 3.853,24 5.769,25 3.818,26 4.648,27 4.85,28 3.701,29 3.791,30 5.83,31 3.73,32 4.566,33 4.814,34 3.57,35 3.691,36 5.58,37 3.602,38 4.433,39 4.661,40 3.591,41 3.582,42 5.605,43 3.537,44 4.309,45 4.495,46 3.484,47 3.547,48 5.532,49 3.491,50 4.284,51 4.504,52 3.324,53 3.477,54 5.306,55 3.391,56 0.177,57 0.661,58 7.748,59 3.835,60 9.084,61 4.704,62 0.458,63 1.016,64 15.634,65 6.044,66 58.133,67 7.795,68 0.429,69 1.201,70 20.596,71 7.053,72 40.305,73 9.524,74 0.646,75 1.149,76 22.529,77 7.213,78 73.035,79 9.491,80 0.458,81 1.033,82 22.31,83 7.594,84 61.927,85 10.71,86 0.507,87 0.904,88 19.236,89 6.28,90 54.5,91 8.565,92 0.412,93 0.821,94 15.461,95 5.749,96 47.303,97 7.386,98 0.31,99 0.801,100 15.684,101 5.696,102 37.329,103 7.78,104 24,105 38,106 0.29,107 0.59,108 0.713,109 0.795,110 0.84,111 0.851,112 3.303,113 0.876,114 -4.26,115 -4.2,116 -3.97,120 40.9,122 2,125 1,126 2,143 7,144 1,145 4,159 1,167 3,174 5,176 2,177 12,185 5,189 16,197 5,200 2,201 9,209 4,213 2,214 1,222 6,226 4,227 6,235 8,239 2,240 5,247 6,252 5,260 2,263 2,264 8,274 1062,275 17.524,276 17.524,277 17.524,278 17.524,279 17.524,280 15.537,281 24.372,282 10.309,283 17.921,284 13.726,285 13.726,286 13.726,287 13.726,288 13.726,289 10.582,290 25.702,291 4.818,292 14.212,293 3.775,294 2.031,295 1.316,296 0.841,297 0.58,298 0.517,299 3.986,306 1,307 1,308 705,309 3.742,312 65.142,313 162.731,316 114.841,320 2.237,321 30.517,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 336,334 4.38,335 3.778,336 6.54,337 4.055,338 3.09,339 3.994,340 2.612,341 10.33,342 2.986,343 4.258,344 3.676,345 5.929,346 3.759,347 2.786,348 3.951,349 2.443,350 8.229,351 2.707,352 3.877,353 3.314,354 5.451,355 3.446,356 2.486,357 3.34,358 0.8,359 7.222,360 2.382,361 3.678,362 2.71,363 5.273,364 3.324,365 2.347,366 3.004,367 0.286,368 6.696,369 2.275,370 3.604,371 2.508,372 5.032,373 3.217,374 2.248,375 2.805,377 5.964,378 2.17,379 3.051,380 2.135,381 4.885,382 2.76,383 1.797,384 2.165,386 5.372,387 1.725,388 2.969,389 1.916,390 4.202,391 2.418,392 1.437,393 2.098,395 3.757,396 1.406,397 2.74,398 1.57,399 3.797,400 2.273,401 1.283,402 1.783,404 2.999,405 1.269,406 2.5,407 1.461,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.367,416 1.099,417 3.287,418 1.785,419 0.823,420 1.088,422 1.832,423 0.786,424 1.928,425 1,426 3.229,427 1.688,428 0.706,429 0.881,431 1.66,432 0.692,433 1.631,434 1,435 3.025,436 1.43,437 0.485,438 0.552,440 1.019,441 0.454,442 1.435,443 0.814,444 2.489,445 1.071,446 0.118,447 0.138,449 0.179,450 0.11,451 1.046,452 0.645,453 2.333,454 0.666,455 -0.3,456 -0.376,458 -0.742,459 -0.289,460 1,461 0.064,462 2.138,463 0.338,464 -0.658,465 -0.838,467 -1.578,468 -0.65,469 11.933,470 0.459,471 0.609,472 0.023,473 36.25,474 1.394,475 19.5,476 0.75,477 16.75,478 0.644,479 17.685,480 0.68,481 28.267,482 0.642,483 26.182,484 1.007,485 7.275,486 0.28,487 5.288,488 0.203,489 0.126,491 0.318,496 0.482,497 1.233,498 0.672,499 1.111,500 0.48,501 0.977,502 0.702,503 1.191,504 0.809,505 0.987,506 0.416,507 0.93,508 0.895,509 1.207,510 0.994,511 1.068,512 0.664,513 1.041,514 1.137,515 1.069,516 1.251,517 1.057,518 1.17,519 1.157,520 0.678,521 0.914,522 0.861,523 0.98,524 0.728,525 0.971,526 0.811,527 0.707,528 0.821,529 0.798,530 0.679,531 0.807,532 0.931,533 0.986,534 1.061,535 1.061,536 0.783,537 1.097,538 0.776,539 1.121,540 1.021,541 1.142,542 0.659,543 1.145,544 5.5,545 0.091,546 3.111,547 1.229,548 1.076,549 0.754,550 0.47,551 0.305,552 0.284,553 0.151,554 8749,555 30137,556 2.037,557 40.9,559 14,563 2,564 2,567 1.683,568 1.902,569 3.638,570 -0.684,572 1,575 74.098,576 1.684,577 3.429,578 4.143,579 4.618,580 4.88,581 4.942,582 3.16,583 4.21,584 4.665,585 3.823,586 1242.38,587 8.048,588 16409.4,590 1,592 1,593 240.215,594 1.42,595 4.628,596 0.196,597 0.006,598 0.082,599 0.033,600 0.036,601 0.028,602 0.017,603 0.012,604 0.014,605 0.008,606 0.431,607 0.17,608 1,609 1.423,610 130.811,611 0.175,612 -0.026,613 0.07,614 -0.043,615 0.025,616 -0.032,617 0.104,618 -0.096,619 0.048,620 0.035,621 0.203,622 0.032,623 -0.133,624 -0.143,625 -0.085,626 -0.091,627 -0.004,628 -0.072,629 -0.177,630 -0.061,631 -0.29,632 -0.098,633 -0.167,634 -0.202,635 0.041,636 0.014,637 0.135,638 0.019,639 -0.021,640 0.084,641 0.07,642 0.255,643 0.178,644 0.178,645 0.048,646 0.201,647 -0.042,648 0.009,649 -0.133,650 -0.041,651 -0.012,652 -0.102,653 -0.06,654 -0.156,655 -0.076,656 -0.123,657 -0.048,658 -0.108,659 2.451,660 4.299,661 0.577,662 30.361,663 1.02,664 1.13,665 3.034,666 9.204,667 0.663,668 3.367,669 3.664,670 3.892,671 4.078,672 4.277,673 4.369,674 4.454,675 4.522,676 4.575,677 4.625,678 7.441,679 0.651,680 354.4,681 3.367,682 4.89,683 5.72,684 6.575,685 7.425,686 8.286,687 9.145,688 10.011,689 10.875,690 11.744,691 9.1,697 1,702 1,704 2,709 7,714 5,716 12,731 1,732 1,738 44,739 16,740 2,741 28,743 46,744 18,745 12,746 5,747 7,752 3,753 4,763 1,766 2,768 13,769 5,772 4,775 1,778 3,781 2,782 1,786 1,789 18,790 7,792 8,797 4,802 1,803 0.667,804 4,822 1,823 2,826 1,841 1,855 2,859 1,862 26,869 4,872 1,875 1,886 9.1,889 1,891 1,892 2,893 13.667,894 8.3,895 5.833,896 2.569,898 3.116,899 1.429,900 0.95,901 5.592,902 10.378,903 3.664,904 4.22,905 4.723,906 5.203,907 5.729,908 6.016,909 6.385,910 6.617,911 7.055,912 7.415,913 0.889,914 37,915 9.554,917 4.004,918 8.058,919 17.808,921 14.177,924 2.558,925 66.5,928 1,929 211.88,930 107.901,931 42.12,933 86.892,936 107.901,937 298.772,938 42.12,939 16.553,940 9.28,941 66.334,942 32.336,943 28.337,944 33.326,945 211.88,946 50.747,947 211.88,948 150.022,949 86.892,952 188.338,953 59.687,954 50.747,956 9.28,957 101.745,958 38.996,960 211.88,961 129.012,962 107.901,965 211.88,966 30.684,967 86.011,969 120.218,970 211.88,971 129.012,972 107.901,973 0.577,974 0.33,975 0.156,976 0.084,977 17,978 8,979 0.152,980 7,981 1,982 1.133,983 3.912,984 203.415,985 0.133,986 15,987 116.211,993 18.025,994 8.066,995 4.453,997 123.342,998 11.732,1003 3.555,1006 448.793,1007 38,1010 -0.451,1013 32.598,1016 8.323,1017 -0.216,1020 44.902,1021 49.737,1022 0.308,1023 0.628,1024 0.759,1025 0.846,1026 0.894,1027 0.905,1028 4.883,1029 1.283,1030 5.694,1031 3.757,1032 4.344,1033 4.905,1034 3.144,1035 6.457,1036 4.28,1037 6.079,1038 1,1039 7.229,1040 2.999,1041 3.892,1042 4.705,1043 2.966,1044 7.29,1045 3.787,1046 7.375,1047 0.823,1048 8.86,1049 2.275,1050 5.9,1051 7.05,1052 4.698,1053 10.321,1054 5.77,1055 8.705,1056 0.706,1057 10.547,1058 1.832,1059 6.256,1060 7.644,1061 5.084,1062 11.99,1063 6.079,1064 10.065,1065 0.485,1066 12.27,1067 1.66,1068 7.724,1069 9.47,1070 6.435,1071 14.539,1072 7.528,1073 11.443,1074 0.118,1075 14.019,1076 1.019,1077 8.453,1078 10.427,1079 7.069,1080 16.574,1081 8.211,1082 12.837,1083 -0.3,1084 15.787,1085 0.179,1086 9.701,1087 12.035,1088 8.236,1089 18.967,1090 9.44,1091 3.09,1092 -0.658,1093 17.571,1094 -0.742,1095 10.618,1096 13.178,1097 9.001,1098 21.165,1099 10.312,1100 2.786,1101 10.33,1102 19.367,1103 -1.578,1104 11.774,1105 14.679,1106 10.071,1107 23.509,1108 11.445,1109 2.486,1110 8.229,1111 21.174,1112 3.994,1113 12.785,1114 15.924,1115 10.91,1116 25.78,1117 12.415,1118 2.347,1119 7.222,1120 22.991,1121 3.951,1122 13.906,1123 17.368,1124 11.925,1125 28.111,1126 13.509,1127 2.248,1128 6.696,1129 24.815,1130 3.34,1131 14.965,1132 18.67,1133 12.807,1134 30.414,1135 14.53,1136 1.797,1137 5.964,1138 26.646,1139 3.004,1140 16.074,1141 20.085,1142 13.793,1143 32.743,1144 15.61,1145 1.437,1146 5.372,1147 28.483,1148 2.805,1149 17.159,1150 21.419,1151 14.701,1152 35.062,1153 16.658,1154 8617,1155 16146,1156 18.493,1157 29.171,1158 41.547,1159 43.374,1160 42.986,1161 41.197,1162 41.206,1163 54.596,1164 12.283,1165 115.067,1166 39.924,1167 5.311,1168 5.778,1169 6.101,1170 5.083,1171 5.09,1172 6.994,1173 4.612,1174 17.075,1175 4.986,1176 13.982,1177 1.484,1178 1.549,1179 1.535,1180 1.471,1181 1.472,1182 1.95,1183 0.439,1184 4.11,1185 1.426,1186 4.038,1187 4.076,1188 3.99,1189 3.939,1190 7.815,1191 3.944,1192 3.959,1193 3.989,1194 3.917,1195 3.837,1196 7.432,1197 3.846,1198 3.656,1199 3.691,1200 3.574,1201 3.457,1202 6.999,1203 3.473,1204 3.523,1205 3.558,1206 3.494,1207 3.246,1208 5.014,1209 3.264,1210 3.402,1211 3.446,1212 3.305,1213 3.061,1214 4.688,1215 3.148,1216 3.186,1217 3.27,1218 2.969,1219 2.93,1220 4.505,1221 2.931,1222 2.988,1223 3.06,1224 2.899,1225 2.775,1226 4.436,1227 2.785,1228 2.854,1229 2.925,1230 2.703,1231 2.735,1232 4.005,1233 2.715,1234 0.156,1235 0.135,1236 0.234,1237 0.145,1238 0.11,1239 4.38,1240 0.143,1241 3.778,1242 0.093,1243 6.54,1244 0.369,1245 4.055,1246 0.107,1247 3.09,1248 3.994,1249 2.612,1250 10.33,1251 2.986,1252 1.923,1253 1.895,1254 2.011,1255 2.085,1256 1.178,1257 2.049,1258 1.871,1259 1.846,1260 1.968,1261 1.978,1262 1.162,1263 1.972,1264 1.637,1265 1.584,1266 1.86,1267 1.858,1268 1.064,1269 1.858,1270 1.402,1271 1.347,1272 1.662,1273 1.672,1274 0.883,1275 1.653,1276 1.23,1277 1.194,1278 1.554,1279 1.652,1280 0.576,1281 1.562,1282 1.167,1283 1.091,1284 1.266,1285 1.455,1286 0.331,1287 1.489,1288 0.955,1289 0.897,1290 1.181,1291 1.241,1292 0.218,1293 1.205,1294 0.886,1295 0.821,1296 1.151,1297 1.067,1298 0.176,1299 1.107,1300 4.043,1302 5.342,1303 2.398,1304 6.825,1305 4.727,1306 8.39,1307 6.823,1308 9.999,1310 1.391,1315 2.73,1318 4.681,1321 2.156,1326 28.632,1327 74.098,1328 150.858,1329 182.299,1330 203.195,1331 214.705,1332 217.46,1333 49.624,1334 7.262,1335 100.08,1336 100.08,1337 17,1338 12.289,1339 4.087,1340 3.459,1341 44.759,1342 116,1343 112,1344 0.189,1345 178.068,1346 316.48,1347 426.246,1348 14245,1350 18.518,1351 0.712,1352 0.55,1353 18.518,1354 14.292,1355 12.563,1356 0.449,1357 0.292,1358 8.019,1359 11.852,1360 7.854,1361 6.497,1362 12.563,1363 8.175,1364 11.133,1365 0.293,1366 0.154,1367 11.133,1368 5.85,1369 9.208,1370 0.192,1371 0.088,1372 9.208,1373 4.21,1374 6.918,1375 0.119,1376 0.049,1377 6.918,1378 2.836,1379 5.453,1380 0.077,1381 0.026,1382 5.453,1383 1.853,1384 0.307,1385 80.452,1386 0.233,1387 25.805,1388 0.49,1389 132,1390 481.523,1391 149.236,1392 454.411,1393 600.01,1394 420,1395 152,1396 434.826,1397 168.55,1398 430.923,1399 614.95,1400 402,1401 4.396}
{0 CHEMBL1340682,1 1.568,2 10.13,3 2.739,4 7.502,5 86.098,6 7.358,7 0.458,8 3.841,9 3.949,10 3.374,11 3.325,12 5.015,13 3.316,14 4.361,15 4.539,16 3.718,17 3.661,18 5.531,19 3.639,20 4.538,21 4.723,22 3.805,23 3.772,24 5.756,25 3.748,26 4.658,27 4.835,28 3.776,29 3.804,30 5.994,31 3.745,32 4.661,33 4.88,34 3.575,35 3.733,36 5.859,37 3.635,38 4.639,39 4.898,40 3.36,41 3.605,42 5.686,43 3.484,44 4.448,45 4.711,46 3.398,47 3.396,48 5.7,49 3.332,50 4.099,51 4.262,52 3.277,53 3.275,54 5.405,55 3.254,56 0.063,57 0.589,58 8.837,59 3.978,60 11.145,61 5.078,62 0.332,63 0.906,64 16.901,65 6.063,66 35.982,67 8.338,68 0.382,69 1.04,70 20.563,71 6.917,72 42.364,73 9.429,74 0.654,75 1.074,76 23.809,77 8.285,78 85.418,79 10.959,80 0.533,81 1.026,82 24.883,83 8.525,84 86.927,85 11.583,86 0.494,87 0.951,88 25.619,89 8.017,90 75.651,91 11.286,92 0.596,93 0.762,94 21.748,95 6.32,96 84.954,97 8.999,98 0.29,99 0.614,100 13.605,101 4.488,102 50.27,103 5.685,104 39,105 33,106 0.276,107 0.63,108 0.819,109 0.847,110 0.871,111 0.871,112 3.188,113 0.933,114 -3.76,115 -3.72,116 -3.54,120 39.5,121 3,122 1,126 2,143 3,144 2,146 1,148 1,153 2,158 1,159 1,174 4,176 1,177 10,180 1,182 1,185 3,188 1,189 6,194 1,197 2,200 3,201 4,204 2,206 1,209 5,213 2,214 4,222 5,227 4,235 2,239 2,240 6,243 1,245 1,247 3,252 4,257 1,260 3,263 1,264 3,267 1,269 1,271 3,274 707,275 15.113,276 15.113,277 15.113,278 15.113,279 15.113,280 13.398,281 13.416,282 8.913,283 15.401,284 11.723,285 11.723,286 11.723,287 11.723,288 11.723,289 9.08,290 9.783,291 4.062,292 12.154,293 3.859,294 1.846,295 0.768,296 0.611,297 0.471,298 0.471,299 3.842,305 1,306 1,307 1,308 476,309 3.606,312 72.902,313 88.011,320 1.452,321 31.821,322 1,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 51,333 233,334 4.556,335 3.742,336 6.75,337 4.164,338 3.194,339 4.274,340 1.797,341 10.897,342 3.108,343 4.31,344 3.611,345 6.385,346 3.924,347 2.951,348 3.916,349 1.338,350 9.621,351 2.863,352 3.762,353 3.129,354 5.85,355 3.437,356 2.449,357 3.048,359 7.79,360 2.404,361 3.405,362 2.7,363 4.922,364 2.954,365 2.017,366 2.645,368 5.369,369 1.868,370 3.028,371 2.1,372 4.805,373 2.682,374 1.699,375 2.175,377 4.753,378 1.665,379 2.862,380 1.79,381 4.31,382 2.48,383 1.495,384 2.017,386 3.856,387 1.466,388 2.768,389 1.709,390 3.823,391 2.381,392 1.414,393 1.804,395 3.071,396 1.359,397 2.567,398 1.542,399 3.578,400 2.086,401 1.139,402 1.539,404 2.676,405 1.069,406 2.141,407 1.311,408 3.344,409 1.921,410 0.926,411 1.095,413 1.885,414 0.915,415 1.689,416 1.125,417 2.873,418 1.294,419 0.33,420 0.4,422 0.693,423 0.31,424 1.152,425 0.491,426 2.374,427 1.022,428 0.034,429 0.038,431 0.064,432 0.034,433 1.092,434 0.379,435 2.33,436 0.661,437 -0.276,438 -0.351,440 -0.59,441 -0.253,442 0.635,443 0.135,444 2,445 0.222,446 -0.793,447 -0.871,449 -1.416,450 -0.785,451 0.543,452 -0.374,453 2,454 0.16,455 -0.822,456 -0.961,458 -2.015,459 -0.808,460 0.368,461 -0.633,462 1.7,463 0.135,464 -0.848,465 -1.187,467 -2.024,468 -0.83,469 10.633,470 0.462,471 0.634,472 0.028,473 28,474 1.217,475 13.5,476 0.587,477 14.5,478 0.63,479 18.902,480 0.822,481 25.967,482 0.604,483 21.037,484 0.915,485 5.69,486 0.247,487 5.262,488 0.229,489 0.235,491 0.367,496 0.771,497 1.439,498 0.802,499 1.228,500 0.675,501 1.055,502 0.71,503 1.132,504 0.737,505 0.956,506 0.531,507 0.861,508 0.957,509 1.045,510 0.908,511 1,512 0.843,513 0.929,514 0.955,515 1.125,516 1.105,517 1.23,518 1.043,519 1.211,520 0.98,521 1.044,522 1.055,523 1.143,524 0.966,525 1.129,526 1.104,527 0.886,528 0.993,529 0.93,530 1.125,531 0.943,532 1.001,533 0.615,534 0.679,535 0.597,536 1,537 0.582,538 1.589,539 1.132,540 1.148,541 1.025,542 1.809,543 1.006,544 4.5,545 0.074,546 3.556,547 2.639,548 1.317,549 0.591,550 0.402,551 0.304,552 0.235,553 0.204,554 5263,555 15179,556 1.922,557 46.5,558 3,559 7,561 1,562 1,563 6,564 2,567 1.656,568 1.747,569 3.295,570 -0.284,571 1,572 1,574 1,575 67.404,576 1.568,577 3.581,578 4.658,579 4.815,580 4.955,581 4.955,582 2.736,583 4.437,584 4.498,585 3.447,586 872.191,587 7.735,588 10116.8,590 1,592 1,593 233.329,594 1.565,595 4.417,596 0.188,597 0.006,598 0.108,599 0.075,600 0.042,601 0.024,602 0.02,603 0.014,604 0.012,605 0.011,606 0.499,607 0.33,608 1,609 1.096,610 108.468,611 -0.056,612 -0.216,613 0.027,614 -0.086,615 -0.074,616 -0.027,617 0.126,618 -0.019,619 0.179,620 0.074,621 0.102,622 0.128,623 -0.018,624 0.058,625 0.032,626 -0.007,627 0.033,628 0.033,629 0.159,630 -0.111,631 -0.14,632 -0.226,633 0.102,634 -0.247,635 0.026,636 -0.114,637 -0.076,638 -0.15,639 0.057,640 -0.139,641 -0.103,642 -0.022,643 0.023,644 0.019,645 -0.096,646 0.043,647 0.148,648 0.225,649 0.38,650 0.323,651 0.181,652 0.386,653 -0.284,654 -0.128,655 -0.155,656 -0.026,657 -0.262,658 -0.063,659 2.439,660 5.287,661 0.478,662 18.076,663 1.011,664 1.13,665 2.526,666 6.382,667 0.644,668 3.219,669 3.526,670 3.784,671 3.97,672 4.007,673 3.871,674 3.829,675 3.761,676 3.761,677 3.807,678 5.971,679 0.62,680 316.39,681 3.219,682 4.745,683 5.587,684 6.457,685 7.318,686 8.191,687 9.059,688 9.934,689 10.804,690 11.68,691 4.7,699 1,701 1,709 4,710 1,714 5,715 1,716 11,721 1,726 1,734 1,738 43,739 13,741 24,743 44,744 17,745 9,748 2,752 2,753 2,759 3,766 1,768 11,769 6,772 2,778 2,782 2,785 1,786 1,789 20,790 5,791 1,792 6,797 2,803 1,804 4,816 1,818 1,822 1,823 1,855 2,859 3,862 23,868 1,869 3,872 1,886 9.3,888 1,889 2,891 1,893 13.167,894 8.683,895 5.25,896 2.672,898 1.891,899 1.295,900 0.906,901 5.561,902 8.289,903 3.481,904 4.056,905 4.606,906 5.09,907 5.37,908 5.322,909 5.309,910 5.243,911 5.373,912 5.654,913 0.857,914 35,915 8.543,917 3.565,918 8.051,919 15.805,921 12.296,924 2.551,925 58.667,928 1,929 223.651,930 97.394,931 18.685,933 103.973,936 97.394,937 327.624,938 18.685,939 26.476,940 9.233,941 28.429,942 133.855,943 28.318,944 5.513,945 211.88,947 223.651,948 116.078,949 103.973,952 200.109,953 127.515,956 46.655,957 52.638,958 16.786,960 223.651,961 122.658,962 97.394,965 223.651,966 33.442,967 65.851,969 120.759,970 223.651,971 122.658,972 97.394,973 0.577,974 0.353,975 0.188,976 0.092,977 14,978 8,979 0.159,980 7,982 1,983 3.416,984 171.229,986 11,987 104.042,993 17.228,994 7.425,995 3.799,997 120.759,998 6.071,999 3.601,1003 1.959,1004 2.071,1005 42.683,1006 443.702,1007 31.5,1013 24.169,1017 -1.038,1020 43.465,1021 48.571,1022 0.289,1023 0.66,1024 0.858,1025 0.887,1026 0.913,1027 0.913,1028 4.707,1029 1.139,1030 5.587,1031 3.071,1032 4.205,1033 4.741,1034 2.402,1035 6.415,1036 4.139,1037 5.925,1038 0.926,1039 7.172,1040 2.676,1041 3.892,1042 4.663,1044 7.398,1045 3.817,1046 7.243,1047 0.33,1048 8.863,1049 1.885,1050 5.814,1051 6.935,1052 3.342,1053 10.502,1054 5.688,1055 8.602,1056 0.034,1057 10.614,1058 0.693,1059 6.33,1060 7.687,1062 12.308,1063 6.194,1064 9.996,1065 -0.276,1066 12.401,1067 0.064,1068 7.751,1069 9.459,1070 4.381,1071 14.934,1072 7.572,1073 11.413,1074 -0.793,1075 14.214,1076 -0.59,1077 8.626,1078 10.579,1080 17.061,1081 8.432,1082 12.849,1083 -0.822,1084 16.044,1085 -1.416,1086 9.863,1087 12.156,1088 5.478,1089 19.522,1090 9.634,1091 3.194,1092 -0.848,1093 17.888,1094 -2.015,1095 10.891,1096 13.442,1098 21.784,1099 10.64,1100 2.951,1101 10.897,1102 19.741,1103 -2.024,1104 12.062,1105 14.938,1106 6.608,1107 24.186,1108 11.78,1109 2.449,1110 9.621,1111 21.602,1112 4.274,1113 13.153,1114 16.301,1116 26.507,1117 12.847,1118 2.017,1119 7.79,1120 23.468,1121 3.916,1122 14.302,1123 17.762,1124 7.758,1125 28.888,1126 13.966,1127 1.699,1128 5.369,1129 25.34,1130 3.048,1131 15.422,1132 19.162,1134 31.236,1135 15.06,1136 1.495,1137 4.753,1138 27.215,1139 2.645,1140 16.565,1141 20.609,1142 8.917,1143 33.612,1144 16.174,1145 1.414,1146 3.856,1147 29.093,1148 2.175,1149 17.698,1150 22.028,1152 35.974,1153 17.28,1154 5390,1155 9359,1156 15.027,1157 27.682,1158 35.926,1159 37.501,1160 38.282,1161 35.332,1162 35.297,1163 45.9,1164 6.27,1165 101.351,1166 34.123,1167 5.463,1168 5.742,1169 6.509,1170 5.225,1171 5.194,1172 7.274,1173 3.595,1174 18.136,1175 5.048,1176 14.503,1177 1.497,1178 1.563,1179 1.595,1180 1.472,1181 1.471,1182 1.912,1183 0.261,1184 4.223,1185 1.422,1186 4.046,1187 4.086,1188 3.999,1189 3.919,1190 7.436,1191 3.934,1192 3.889,1193 3.913,1194 3.851,1195 3.765,1196 7.423,1197 3.781,1198 3.566,1199 3.622,1200 3.452,1201 3.4,1202 6.474,1203 3.39,1204 3.441,1205 3.48,1206 3.285,1207 3.219,1208 4.752,1209 3.237,1210 3.206,1211 3.289,1212 3.104,1213 3.024,1214 4.717,1215 3.013,1216 3.135,1217 3.152,1218 2.938,1219 2.924,1220 4.353,1221 2.939,1222 2.897,1223 2.998,1224 2.794,1225 2.613,1226 4.065,1227 2.635,1228 2.869,1229 2.928,1230 2.562,1231 2.603,1232 3.862,1233 2.577,1234 0.19,1235 0.156,1236 0.281,1237 0.174,1238 0.133,1239 4.556,1240 0.178,1241 3.742,1242 0.075,1243 6.75,1244 0.454,1245 4.164,1246 0.129,1247 3.194,1248 4.274,1249 1.797,1250 10.897,1251 3.108,1252 1.828,1253 1.806,1254 1.964,1255 1.978,1256 1.218,1257 1.961,1258 1.751,1259 1.695,1260 1.917,1261 1.95,1262 0.973,1263 1.951,1264 1.672,1265 1.644,1266 1.816,1267 1.811,1268 0.935,1269 1.807,1270 1.451,1271 1.375,1272 1.746,1273 1.654,1274 0.872,1275 1.693,1276 1.281,1277 1.24,1278 1.556,1279 1.545,1280 0.679,1281 1.547,1282 1.031,1283 1.003,1284 1.345,1285 1.286,1286 0.482,1287 1.263,1288 0.903,1289 0.779,1290 1.236,1291 1.207,1292 0.321,1293 1.257,1294 0.826,1295 0.744,1296 1.133,1297 1.121,1298 0.175,1299 1.11,1300 3.892,1302 5.198,1303 2.398,1304 6.698,1305 4.844,1306 8.285,1307 7.002,1308 9.917,1310 5.895,1314 9.506,1315 1.442,1318 4.991,1326 26.643,1327 67.404,1328 153.971,1329 200.31,1330 207.065,1331 213.065,1332 213.065,1333 57.651,1334 6.399,1335 81.42,1336 81.42,1337 11,1338 12.22,1339 3.807,1340 3.087,1341 45.425,1342 83,1343 79,1344 0.272,1345 168.135,1346 294.82,1347 402.01,1348 4355,1350 16.983,1351 0.738,1352 0.587,1353 16.983,1354 13.497,1355 10.952,1356 0.456,1357 0.311,1358 7.345,1359 10.452,1360 7.065,1361 5.945,1362 10.952,1363 7.463,1364 9.646,1365 0.292,1366 0.161,1367 9.646,1368 5.31,1369 8.065,1370 0.188,1371 0.085,1372 8.065,1373 3.662,1374 6.43,1375 0.124,1376 0.048,1377 6.43,1378 2.494,1379 4.529,1380 0.084,1381 0.028,1382 4.529,1383 1.501,1384 0.428,1385 69.341,1386 0.258,1387 22.688,1388 0.738,1389 114,1390 396.647,1391 128.654,1392 373.063,1393 494.19,1394 346,1395 133,1396 350.743,1397 147.408,1398 351.999,1399 513.5,1400 329,1401 6.539}
{0 CHEMBL1341201,1 1.611,2 11.172,3 2.815,4 7.924,5 108.049,6 7.567,7 0.344,8 4.064,9 4.183,10 3.642,11 3.566,12 5.21,13 3.564,14 4.617,15 4.782,16 4.028,17 3.994,18 5.703,19 3.964,20 4.888,21 5.078,22 4.162,23 4.197,24 5.881,25 4.148,26 5.066,27 5.262,28 4.218,29 4.239,30 6.206,31 4.192,32 5.088,33 5.31,34 4.077,35 4.152,36 6.204,37 4.094,38 4.995,39 5.254,40 3.871,41 4.004,42 6.078,43 3.909,44 4.814,45 5.094,46 3.7,47 3.827,48 5.853,49 3.729,50 4.614,51 4.853,52 3.66,53 3.662,54 5.97,55 3.579,56 0.089,57 0.789,58 10.494,59 4.57,60 14.524,61 5.867,62 0.474,63 1.247,64 20.612,65 7.92,66 36.131,67 10.693,68 0.306,69 1.577,70 27.716,71 10.714,72 39.74,73 14.586,74 0.608,75 1.787,76 34.855,77 11.539,78 90.002,79 15.637,80 0.75,81 1.783,82 37.234,83 10.177,84 104.173,85 14.444,86 0.796,87 1.571,88 35.464,89 9.987,90 89.783,91 14.543,92 0.41,93 1.245,94 30.101,95 9.165,96 64.536,97 13.67,98 0.845,99 1.005,100 24.106,101 7.349,102 112.64,103 10.695,104 21,105 46,106 0.268,107 0.652,108 0.791,109 0.816,110 0.824,111 0.824,112 3.409,113 0.91,114 -3.26,115 -3.25,116 -3.12,120 40.4,121 1,122 3,124 1,126 3,137 1,140 1,143 5,144 2,148 1,153 1,159 1,160 1,164 1,165 1,166 1,170 1,174 11,176 4,177 7,179 1,180 1,182 3,185 13,187 1,189 7,192 1,194 3,197 5,199 1,200 1,201 20,203 2,204 2,206 6,209 4,211 3,214 8,218 1,221 1,222 3,226 4,227 10,229 1,230 3,232 1,235 2,237 1,240 4,245 1,247 5,249 1,251 6,252 2,254 2,255 4,260 8,264 2,271 8,274 1352,275 19.894,276 19.894,277 19.894,278 19.894,279 19.894,280 18.014,281 25.484,282 11.481,283 20.337,284 15.606,285 15.606,286 15.606,287 15.606,288 15.606,289 12.632,290 31.323,291 5.172,292 16.296,293 4.089,294 1.78,295 0.945,296 0.798,297 0.745,298 0.745,299 4.103,306 1,307 1,308 703,309 3.674,312 66.149,313 265.663,316 121.923,320 1.741,321 34.358,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 63.5,333 324,334 4.892,335 4.269,336 8.085,337 4.703,338 3.713,339 4.361,340 2.236,341 15.759,342 3.676,343 4.134,344 3.825,345 6.406,346 3.742,347 2.802,348 3.625,349 2.224,350 9.451,351 2.647,352 3.976,353 3.755,354 6.024,355 3.649,356 2.692,357 3.45,358 1.041,359 8.543,360 2.554,361 3.862,362 2.936,363 5.758,364 3.484,365 2.499,366 3.098,367 0.869,368 7.522,369 2.456,370 3.643,371 2.832,372 5.337,373 3.295,374 2.377,375 2.76,376 0.619,377 6.953,378 2.174,379 3.324,380 2.772,381 5.092,382 2.811,383 1.866,384 2.341,385 0.501,386 5.676,387 1.751,388 3.084,389 2.298,390 4.322,391 2.56,392 1.611,393 2.097,395 3.971,396 1.526,397 2.935,398 2.145,399 4.11,400 2.371,401 1.39,402 1.673,404 3.072,405 1.345,406 2.684,407 1.742,408 4.006,409 2.058,410 1.122,411 1.589,413 2.67,414 1.045,415 2.5,416 1.302,417 3.802,418 2,419 1,420 1.5,422 2.372,423 1,424 2.351,425 1.257,426 3.602,427 1.984,428 1,429 1.235,431 2.304,432 0.983,433 2,434 1.077,435 3.247,436 1.846,437 0.88,438 1,440 2.136,441 0.847,442 1.77,443 1,444 3.102,445 1.472,446 0.52,447 0.597,449 1.064,450 0.489,451 1.635,452 0.93,453 3.006,454 1.388,455 0.427,456 0.487,458 0.759,459 0.405,460 1.51,461 0.73,462 2.844,463 0.958,464 0.008,465 0.011,467 0.014,468 0.008,469 13.5,470 0.466,471 0.672,472 0.023,473 35,474 1.207,475 16,476 0.552,477 19,478 0.655,479 27.73,480 0.956,481 31.5,482 0.606,483 26.915,484 0.928,485 6.736,486 0.232,487 7.35,488 0.253,489 0.121,490 0.037,491 0.289,496 0.82,497 1.224,498 0.771,499 1.099,500 0.608,501 0.948,502 0.66,503 0.991,504 0.794,505 0.943,506 0.437,507 0.904,508 0.811,509 1.145,510 0.857,511 1.126,512 0.616,513 1.022,514 1.285,515 1.204,516 1.089,517 1.143,518 1.218,519 1.101,520 1.582,521 1.158,522 1.302,523 1.05,524 1.543,525 1.105,526 1.174,527 0.808,528 1.146,529 0.911,530 1.236,531 0.999,532 0.899,533 0.903,534 0.812,535 0.905,536 1.103,537 0.844,538 0.593,539 0.704,540 0.895,541 0.897,542 0.966,543 0.945,544 6,545 0.166,546 4.444,547 2.847,548 2.201,549 1.341,550 0.791,551 0.393,552 0.247,553 0.153,554 10475,555 28939,556 2.082,557 44.2,558 3,559 11,562 3,563 2,564 4,567 1.72,568 1.944,569 3.344,570 0.926,571 1,572 1,575 83.778,576 1.611,577 3.92,578 4.756,579 4.902,580 4.955,581 4.955,582 2.754,583 4.513,584 4.824,585 3.58,586 1453.33,587 8.41,588 19343,590 1,592 1,593 296.423,594 1.548,595 4.781,596 0.188,597 0.008,598 0.097,599 0.055,600 0.042,601 0.031,602 0.023,603 0.013,604 0.009,605 0.008,606 0.474,607 0.33,608 1,609 0.828,610 146.254,611 -0.031,612 -0.009,613 0.049,614 -0.018,615 -0.003,616 0.026,617 0.254,618 0.109,619 0.102,620 0.104,621 0.141,622 0.079,623 0.011,624 -0.106,625 0.053,626 -0.075,627 0.015,628 -0.012,629 -0.121,630 -0.197,631 -0.115,632 -0.158,633 -0.072,634 -0.146,635 -0.315,636 -0.145,637 -0.286,638 -0.14,639 -0.261,640 -0.197,641 -0.069,642 0.159,643 -0.112,644 -0.006,645 -0.078,646 -0.06,647 0.006,648 -0.022,649 0.22,650 0.055,651 0.036,652 0.168,653 0.604,654 0.222,655 0.142,656 0.053,657 0.453,658 0.02,659 2.019,660 5.535,661 0.69,662 28.133,663 1.009,664 1.132,665 2.033,666 4.132,667 0.659,668 3.497,669 3.85,670 4.205,671 4.522,672 4.754,673 4.898,674 5.037,675 5.106,676 5.075,677 5.088,678 6.576,679 0.634,680 393.49,681 3.497,682 5.056,683 5.943,684 6.858,685 7.769,686 8.698,687 9.621,688 10.558,689 11.488,690 12.432,691 9.6,692 1,698 1,699 1,700 1,701 1,709 5,710 1,711 1,714 4,716 11,735 1,738 52,739 14,740 1,741 32,743 55,744 21,745 9,746 1,747 5,752 4,753 5,759 1,760 1,762 1,763 2,766 3,767 1,768 12,769 8,772 2,778 1,782 3,786 1,789 23,790 7,791 3,792 8,797 5,803 0.5,804 3,814 1,822 1,823 3,826 1,833 1,846 1,848 1,852 1,855 2,859 1,862 29,863 1,869 6,872 2,875 1,876 1,877 1,882 1,884 1,886 5.8,889 1,891 2,893 14.917,894 9.6,895 6.528,896 3.282,898 2.295,899 1.295,900 0.969,901 5.422,902 10.061,903 3.75,904 4.287,905 4.853,906 5.384,907 5.738,908 5.984,909 6.299,910 6.566,911 6.634,912 6.635,913 1,914 52,915 10.756,917 4.679,918 7.842,919 20.363,921 17.029,924 2.342,925 67.917,928 1,929 235.422,930 117.921,931 100.407,933 47.145,936 117.921,937 282.567,938 100.407,939 8.825,940 52.429,941 47.381,942 58.41,943 84.093,944 14.334,945 235.422,947 235.422,948 218.328,949 47.145,952 188.338,953 94.229,956 108.976,957 92.688,958 16.663,960 235.422,961 147.552,962 117.921,965 235.422,966 45.113,967 59.331,968 33.265,969 127.764,970 235.422,971 147.552,972 117.921,973 0.58,974 0.365,975 0.208,976 0.111,977 23,978 10,979 0.073,980 4,981 1,982 1.15,983 3.941,984 266.093,985 0.1,986 21,987 132.881,993 19.658,994 7.999,995 3.444,997 130.889,998 9.573,999 4.237,1000 3.003,1003 3.193,1005 49.56,1006 500.894,1007 41.5,1013 12.535,1017 0.155,1020 52.443,1021 58.857,1022 0.283,1023 0.688,1024 0.834,1025 0.86,1026 0.869,1027 0.869,1028 5.029,1029 1.39,1030 5.964,1031 3.971,1032 4.533,1033 4.973,1034 3.19,1035 6.895,1036 4.452,1037 6.246,1038 1.122,1039 7.601,1040 3.072,1041 4.29,1042 4.796,1043 1.847,1044 8.318,1045 4.199,1046 7.583,1047 1,1048 9.364,1049 2.67,1050 6.263,1051 7.119,1052 4.49,1053 11.491,1054 6.131,1055 8.96,1056 1,1057 11.212,1058 2.372,1059 6.919,1060 7.802,1061 3.656,1062 13.845,1063 6.798,1064 10.375,1065 0.88,1066 13.119,1067 2.304,1068 8.391,1069 9.591,1070 6.004,1071 16.682,1072 8.245,1073 11.82,1074 0.52,1075 15.071,1076 2.136,1077 9.43,1078 10.667,1079 5.393,1080 19.327,1081 9.299,1082 13.288,1083 0.427,1084 17.055,1085 1.064,1086 10.758,1087 12.252,1088 7.572,1089 22.1,1090 10.615,1091 3.713,1092 0.008,1093 19.066,1094 0.759,1095 11.957,1096 13.521,1097 7.074,1098 24.826,1099 11.821,1100 2.802,1101 15.759,1102 21.095,1103 0.014,1104 13.253,1105 15.025,1106 9.159,1107 27.587,1108 13.112,1109 2.692,1110 9.451,1111 23.139,1112 4.361,1113 14.516,1114 16.389,1115 8.72,1116 30.335,1117 14.376,1118 2.499,1119 8.543,1120 25.193,1121 3.625,1122 15.812,1123 17.864,1124 10.754,1125 33.093,1126 15.667,1127 2.377,1128 7.522,1129 27.257,1130 3.45,1131 17.102,1132 19.277,1133 10.348,1134 35.848,1135 16.953,1136 1.866,1137 6.953,1138 29.327,1139 3.098,1140 18.403,1141 20.742,1142 12.353,1143 38.605,1144 18.248,1145 1.611,1146 5.676,1147 31.401,1148 2.76,1149 19.704,1150 22.181,1151 11.964,1152 41.362,1153 19.543,1154 10020,1155 16786,1156 21.266,1157 34.245,1158 49.692,1159 51.763,1160 51.299,1161 47.861,1162 47.813,1163 59.648,1164 14.979,1165 144.528,1166 45.811,1167 5.892,1168 6.269,1169 7.887,1170 5.802,1171 5.713,1172 7.361,1173 4.473,1174 24.451,1175 5.676,1176 13.801,1177 1.553,1178 1.618,1179 1.603,1180 1.496,1181 1.494,1182 1.864,1183 0.468,1184 4.517,1185 1.432,1186 4.08,1187 4.116,1188 4.041,1189 3.956,1190 7.433,1191 3.97,1192 3.909,1193 3.938,1194 3.837,1195 3.842,1196 6.82,1197 3.836,1198 3.749,1199 3.813,1200 3.668,1201 3.554,1202 5.176,1203 3.57,1204 3.563,1205 3.608,1206 3.517,1207 3.369,1208 4.923,1209 3.398,1210 3.326,1211 3.393,1212 3.231,1213 3.098,1214 4.774,1215 3.113,1216 3.299,1217 3.351,1218 3.114,1219 3.075,1220 4.384,1221 3.083,1222 3.111,1223 3.206,1224 2.908,1225 2.941,1226 4.217,1227 2.91,1228 3.03,1229 3.102,1230 2.893,1231 2.81,1232 4.144,1233 2.839,1234 0.153,1235 0.133,1236 0.253,1237 0.147,1238 0.116,1239 4.892,1240 0.136,1241 4.269,1242 0.07,1243 8.085,1244 0.492,1245 4.703,1246 0.115,1247 3.713,1248 4.361,1249 2.236,1250 15.759,1251 3.676,1252 1.942,1253 1.914,1254 2.066,1255 2.071,1256 1.452,1257 2.07,1258 1.902,1259 1.875,1260 2.031,1261 1.99,1262 1.133,1263 2.004,1264 1.614,1265 1.551,1266 1.863,1267 1.826,1268 1.076,1269 1.835,1270 1.506,1271 1.462,1272 1.624,1273 1.764,1274 0.825,1275 1.719,1276 1.228,1277 1.193,1278 1.513,1279 1.513,1280 0.766,1281 1.488,1282 1.153,1283 1.079,1284 1.466,1285 1.474,1286 0.611,1287 1.445,1288 1.127,1289 1.064,1290 1.345,1291 1.376,1292 0.36,1293 1.429,1294 1.085,1295 0.986,1296 1.229,1297 1.298,1298 0.239,1299 1.3,1300 4.174,1302 5.517,1303 2.398,1304 7.084,1305 4.727,1306 8.762,1307 6.862,1308 10.505,1310 2.019,1313 6.043,1315 2.992,1318 11.054,1321 1.681,1322 -0.596,1324 9.787,1325 2.24,1326 32.993,1327 83.778,1328 203.845,1329 247.303,1330 254.913,1331 257.668,1332 257.668,1333 60.131,1334 7.766,1335 117.26,1336 117.26,1337 23,1338 12.928,1339 3.907,1340 3.392,1341 44.767,1342 112,1343 132,1344 0.195,1345 202.25,1346 358.23,1347 485.249,1348 25036,1350 20.433,1351 0.705,1352 0.561,1353 20.433,1354 16.273,1355 14.086,1356 0.44,1357 0.303,1358 9.551,1359 13.47,1360 9.351,1361 7.716,1362 14.086,1363 9.703,1364 12.389,1365 0.269,1366 0.159,1367 12.389,1368 7.298,1369 11.173,1370 0.169,1371 0.087,1372 11.173,1373 5.764,1374 9.759,1375 0.107,1376 0.047,1377 9.759,1378 4.242,1379 7.67,1380 0.067,1381 0.026,1382 7.67,1383 2.988,1384 0.304,1385 88.942,1386 0.217,1387 27.375,1388 0.543,1389 156,1390 471.787,1391 174.094,1392 452.376,1393 617.82,1394 422,1395 190,1396 460.885,1397 208.432,1398 462.51,1399 681.8,1400 434,1401 4.47}
{0 CHEMBL1341560,1 1.458,2 11.9,3 5.283,4 27.91,5 116.752,6 7.929,7 0.667,8 4.006,9 4.102,10 3.633,11 3.626,12 5.193,13 3.609,14 4.489,15 4.624,16 3.966,17 3.975,18 5.648,19 3.948,20 4.703,21 4.869,22 4.029,23 4.072,24 5.909,25 4.023,26 4.738,27 4.92,28 3.942,29 4.036,30 5.902,31 3.977,32 4.724,33 4.926,34 3.934,35 3.981,36 5.946,37 3.93,38 4.672,39 4.851,40 3.996,41 3.962,42 6.063,43 3.934,44 4.621,45 4.78,46 3.931,47 3.976,48 5.893,49 3.941,50 4.64,51 4.813,52 3.819,53 3.993,54 5.802,55 3.918,56 0.009,57 0.633,58 8.459,59 4.422,60 6.486,61 5.323,62 0.132,63 1.046,64 15.746,65 7.096,66 17.86,67 8.529,68 0.324,69 1.276,70 21.453,71 8.951,72 42.879,73 11.107,74 0.232,75 1.329,76 22.934,77 9.168,78 42.39,79 11.201,80 0.283,81 1.286,82 24.077,83 9.375,84 53.744,85 11.779,86 0.416,87 1.191,88 22.449,89 8.831,90 83.647,91 10.792,92 0.326,93 1.164,94 20.108,95 7.911,96 53.064,97 9.166,98 0.252,99 1.182,100 20.514,101 8.549,102 52.183,103 10.277,104 11,105 45,106 0.24,107 0.521,108 0.672,109 0.811,110 0.855,111 0.855,112 3.441,113 0.869,114 -4.93,115 -4.83,116 -4.53,120 50,125 1,126 1,136 2,143 13,144 2,145 1,147 1,153 1,158 2,162 1,174 15,176 1,177 6,185 15,188 3,189 12,197 10,201 10,209 3,213 1,214 10,222 4,226 2,227 14,235 9,239 1,240 11,247 14,252 5,260 17,263 1,264 3,271 16,274 1718,275 20.646,276 20.646,277 20.646,278 20.646,279 20.646,280 17.724,281 12.359,282 12.317,283 20.901,284 16.231,285 16.231,286 16.231,287 16.231,288 16.231,289 11.713,290 14.904,291 5.789,292 16.557,293 4.186,294 2.486,295 1.569,296 0.727,297 0.455,298 0.455,299 4.138,306 1,307 1,308 770,309 3.674,312 68.117,313 277.511,316 131.326,320 1.833,321 29.879,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 64,333 357,334 4.669,335 3.664,336 6.849,337 4.202,338 3.25,339 4.601,340 1.38,341 11.414,342 3.096,343 4.181,344 3.517,345 6.031,346 3.814,347 2.804,348 3.766,349 0.86,350 8.608,351 2.831,352 3.999,353 3.02,354 5.906,355 3.581,356 2.574,357 3.543,359 8.039,360 2.588,361 3.838,362 2.822,363 5.345,364 3.428,365 2.426,366 3.313,368 6.96,369 2.431,370 3.716,371 2.505,372 5.291,373 3.333,374 2.373,375 3.064,377 6.736,378 2.264,379 3.324,380 2.124,381 5.111,382 2.868,383 1.907,384 2.626,386 5.819,387 1.826,388 3.083,389 1.978,390 4.36,391 2.557,392 1.574,393 2.328,395 4.008,396 1.544,397 2.942,398 1.652,399 4.132,400 2.459,401 1.461,402 2.121,404 3.521,405 1.455,406 2.83,407 1.522,408 3.645,409 2.366,410 1.359,411 1.893,413 3.099,414 1.358,415 2.681,416 1.314,417 3.59,418 2.162,419 1.17,420 1.705,422 2.81,423 1.155,424 2.5,425 1.075,426 3.435,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1.03,435 3.414,436 2,437 1,438 1.5,440 2.136,441 1,442 2.265,443 1,444 3.247,445 1.697,446 0.725,447 1.02,449 1.802,450 0.7,451 2.088,452 1,453 2.94,454 1.428,455 0.464,456 0.666,458 0.928,459 0.414,460 1.645,461 0.825,462 2.812,463 1.345,464 0.404,465 0.53,467 0.717,468 0.4,469 14.3,470 0.477,471 0.606,472 0.02,473 43.75,474 1.458,475 25,476 0.833,477 18.75,478 0.625,479 20.139,480 0.671,481 30.1,482 0.602,483 34.875,484 1.163,485 9.129,486 0.304,487 5.523,488 0.184,489 0.082,491 0.308,496 0.656,497 1.149,498 0.704,499 0.987,500 0.552,501 0.877,502 0.953,503 1.09,504 0.868,505 0.965,506 0.673,507 0.912,508 0.943,509 1.101,510 0.963,511 1.008,512 0.98,513 0.994,514 1.217,515 1.152,516 1.119,517 1.093,518 1.265,519 1.081,520 1.132,521 0.965,522 0.907,523 0.928,524 1.388,525 0.884,526 1.132,527 0.981,528 0.814,529 0.874,530 1.41,531 0.809,532 1.469,533 0.963,534 1.099,535 0.886,536 1.619,537 0.921,538 1.247,539 1.03,540 1.215,541 1.046,542 1.441,543 1.108,544 5,545 0.151,546 3.333,547 1.826,548 1.521,549 1.254,550 0.687,551 0.416,552 0.283,553 0.257,554 11948,555 32333,556 2.107,557 40,559 20,567 1.732,568 2,569 3.506,570 -0.825,575 72.903,576 1.458,577 3.157,578 4.074,579 4.917,580 5.189,581 5.189,582 3.036,583 4.482,584 4.872,585 3.67,586 1596.65,587 8.526,588 22288,593 282.193,594 1.295,595 4.851,596 0.152,597 0.006,598 0.074,599 0.04,600 0.037,601 0.031,602 0.016,603 0.01,604 0.008,605 0.008,606 0.379,607 0.17,608 1,609 0.659,610 154.103,611 -0.005,612 -0.131,613 0.052,614 -0.049,615 -0.05,616 -0.002,617 -0.055,618 -0.049,619 -0.014,620 -0.032,621 -0.038,622 -0.023,623 0.076,624 -0.076,625 -0.033,626 -0.061,627 0.016,628 -0.071,629 -0.145,630 -0.119,631 -0.158,632 -0.149,633 -0.124,634 -0.151,635 -0.013,636 0.041,637 0.104,638 0.04,639 0.004,640 0.084,641 0.174,642 0.006,643 0.191,644 0.093,645 0.239,646 0.137,647 -0.188,648 0.076,649 -0.148,650 0.049,651 -0.165,652 -0.026,653 -0.216,654 -0.027,655 -0.278,656 -0.088,657 -0.23,658 -0.172,659 1.919,660 5.912,661 0.7,662 31.902,663 1.003,664 1.107,665 3.699,666 13.685,667 0.705,668 3.526,669 3.829,670 4.111,671 4.357,672 4.595,673 4.663,674 4.754,675 4.836,676 4.934,677 5.024,678 6.893,679 0.679,680 396.47,681 3.526,682 5.056,683 5.905,684 6.774,685 7.644,686 8.524,687 9.404,688 10.29,689 11.177,690 12.069,691 4,699 1,701 1,708 2,709 13,710 1,714 4,715 1,716 22,721 2,735 1,738 50,739 25,740 3,741 33,743 53,744 25,745 19,746 5,747 13,748 4,752 4,753 5,768 23,769 2,772 3,778 2,780 2,782 2,789 20,790 4,792 5,794 1,797 2,803 0.75,804 3,822 1,823 3,826 1,845 2,855 3,859 1,862 30,869 1,872 1,886 6,889 2,891 1,893 15,894 9.4,895 6.722,896 2.849,898 4.563,899 1.596,900 1.003,901 5.76,902 12.212,903 3.871,904 4.48,905 5.113,906 5.699,907 6.252,908 6.532,909 6.903,910 7.256,911 7.542,912 7.893,913 1,914 46,915 11.102,917 4.729,918 7.811,919 20.902,921 16.854,924 2.311,925 69.333,929 235.422,930 183.63,931 18.685,933 61.29,936 183.63,937 296.712,938 18.685,939 10.883,940 2.106,941 142.144,942 79.67,943 26.658,944 2.144,945 235.422,947 235.422,948 202.315,949 61.29,952 235.422,953 61.29,956 8.477,957 158.1,958 35.738,960 235.422,961 79.974,962 183.63,965 235.422,966 30.603,967 154.926,969 78.075,970 235.422,971 79.974,972 183.63,973 0.573,974 0.34,975 0.181,976 0.102,977 21,978 9,979 0.132,980 7,981 1,982 1.095,983 4.18,984 266.112,985 0.095,986 21,987 139.207,993 19.658,994 8.791,995 4.36,996 1.423,997 78.075,998 23.924,999 4.489,1003 2.39,1004 1.68,1006 499.027,1007 47,1013 25.803,1015 3.238,1017 -0.362,1020 50.138,1021 55.362,1022 0.258,1023 0.559,1024 0.722,1025 0.871,1026 0.919,1027 0.919,1028 5.078,1029 1.461,1030 5.872,1031 4.008,1032 4.511,1033 5.168,1034 1.839,1035 6.668,1036 4.475,1037 6.29,1038 1.359,1039 7.42,1040 3.521,1041 4.007,1042 4.89,1044 7.554,1045 3.956,1046 7.593,1047 1.17,1048 9.071,1049 3.099,1050 6.084,1051 7.401,1052 2.235,1053 10.668,1054 6.005,1055 8.935,1056 1,1057 10.785,1058 2.81,1059 6.447,1060 8.01,1062 12.439,1063 6.336,1064 10.312,1065 1,1066 12.541,1067 2.275,1068 7.958,1069 9.943,1070 2.748,1071 15.074,1072 7.823,1073 11.715,1074 0.725,1075 14.326,1076 2.136,1077 8.728,1078 10.994,1080 17.222,1081 8.548,1082 13.138,1083 0.464,1084 16.134,1085 1.802,1086 10.011,1087 12.681,1088 3.328,1089 19.709,1090 9.803,1091 3.25,1092 0.404,1093 17.959,1094 0.928,1095 10.982,1096 13.964,1098 22.02,1099 10.72,1100 2.804,1101 11.414,1102 19.798,1103 0.717,1104 12.175,1105 15.544,1106 3.941,1107 24.463,1108 11.878,1109 2.574,1110 8.608,1111 21.649,1112 4.601,1113 13.245,1114 16.947,1116 26.844,1117 12.889,1118 2.426,1119 8.039,1120 23.509,1121 3.766,1122 14.409,1123 18.485,1124 4.571,1125 29.276,1126 14.01,1127 2.373,1128 6.96,1129 25.378,1130 3.543,1131 15.526,1132 19.947,1134 31.687,1135 15.068,1136 1.907,1137 6.736,1138 27.254,1139 3.313,1140 16.685,1141 21.471,1142 5.208,1143 34.118,1144 16.177,1145 1.574,1146 5.819,1147 29.137,1148 3.064,1149 17.827,1150 22.963,1152 36.541,1153 17.26,1154 11372,1155 18847,1156 22.364,1157 35.228,1158 49.797,1159 51.412,1160 50.401,1161 48.933,1162 48.982,1163 68.351,1164 4.48,1165 137.741,1166 48.126,1167 5.518,1168 5.664,1169 6.651,1170 5.238,1171 5.25,1172 7.601,1173 2.76,1174 18.701,1175 5.096,1176 12.317,1177 1.509,1178 1.558,1179 1.527,1180 1.483,1181 1.484,1182 2.071,1183 0.136,1184 4.174,1185 1.458,1186 4.138,1187 4.175,1188 4.11,1189 4.015,1190 7.43,1191 4.033,1192 3.917,1193 3.942,1194 3.865,1195 3.859,1196 7.425,1197 3.852,1198 3.91,1199 3.931,1200 3.842,1201 3.843,1202 4.998,1203 3.844,1204 3.58,1205 3.609,1206 3.514,1207 3.46,1208 4.852,1209 3.469,1210 3.447,1211 3.474,1212 3.369,1213 3.279,1214 4.774,1215 3.292,1216 3.251,1217 3.31,1218 3.141,1219 3.059,1220 4.344,1221 3.075,1222 3.121,1223 3.179,1224 2.952,1225 2.889,1226 4.305,1227 2.89,1228 2.896,1229 2.954,1230 2.778,1231 2.759,1232 4.13,1233 2.752,1234 0.141,1235 0.111,1236 0.208,1237 0.127,1238 0.098,1239 4.669,1240 0.139,1241 3.664,1242 0.042,1243 6.849,1244 0.346,1245 4.202,1246 0.094,1247 3.25,1248 4.601,1249 1.38,1250 11.414,1251 3.096,1252 1.941,1253 1.916,1254 2.042,1255 2.052,1256 1.174,1257 2.047,1258 1.919,1259 1.894,1260 2.031,1261 1.995,1262 1.103,1263 2.011,1264 1.886,1265 1.864,1266 1.988,1267 1.975,1268 1.075,1269 1.98,1270 1.623,1271 1.591,1272 1.729,1273 1.811,1274 0.849,1275 1.786,1276 1.393,1277 1.358,1278 1.596,1279 1.59,1280 0.641,1281 1.587,1282 1.198,1283 1.136,1284 1.541,1285 1.48,1286 0.571,1287 1.502,1288 1.073,1289 1.016,1290 1.243,1291 1.278,1292 0.297,1293 1.27,1294 0.903,1295 0.859,1296 1.181,1297 1.084,1298 0.218,1299 1.107,1300 4.205,1302 5.509,1303 2.398,1304 7.013,1305 4.844,1306 8.601,1307 7.05,1308 10.234,1310 1.579,1315 0.021,1318 5.148,1326 33.928,1327 72.903,1328 157.874,1329 203.723,1330 245.828,1331 259.438,1332 259.438,1333 54.79,1334 7.649,1335 61.19,1336 61.19,1337 23,1338 12.598,1339 4.7,1340 3.907,1341 46.835,1342 117,1343 146,1344 0.185,1345 208.527,1346 362.07,1347 500.565,1348 23191,1350 20.924,1351 0.697,1352 0.55,1353 20.924,1354 16.487,1355 14.652,1356 0.444,1357 0.29,1358 9.445,1359 14.216,1360 9.203,1361 7.663,1362 14.652,1363 9.555,1364 12.733,1365 0.283,1366 0.15,1367 12.733,1368 6.77,1369 11.046,1370 0.184,1371 0.08,1372 11.046,1373 4.815,1374 8.914,1375 0.116,1376 0.042,1377 8.914,1378 3.246,1379 7.314,1380 0.075,1381 0.022,1382 7.314,1383 2.183,1384 0.289,1385 91.129,1386 0.211,1387 28.378,1388 0.512,1389 156,1390 468.497,1391 167.943,1392 454.518,1393 620.9,1394 426,1395 183,1396 452.156,1397 196,1398 461.401,1399 671.81,1400 434,1401 5.338}
{0 CHEMBL1341861,1 1.542,2 13.321,3 3.822,4 14.607,5 107.378,6 8.053,7 0.71,8 3.942,9 4.051,10 3.581,11 3.528,12 5.138,13 3.523,14 4.4,15 4.534,16 3.886,17 3.876,18 5.574,19 3.853,20 4.607,21 4.787,22 3.894,23 3.922,24 5.774,25 3.873,26 4.6,27 4.808,28 3.759,29 3.786,30 5.731,31 3.737,32 4.496,33 4.714,34 3.6,35 3.694,36 5.569,37 3.64,38 4.355,39 4.551,40 3.576,41 3.711,42 5.435,43 3.634,44 4.417,45 4.619,46 3.616,47 3.719,48 5.598,49 3.649,50 4.342,51 4.551,52 3.471,53 3.675,54 5.393,55 3.581,56 0.06,57 0.668,58 7.833,59 3.818,60 7.847,61 4.57,62 0.16,63 1.019,64 13.736,65 6.093,66 18.136,67 7.335,68 0.282,69 1.205,70 19.346,71 7.859,72 35.463,73 9.915,74 0.29,75 1.166,76 21.179,77 7.695,78 40.804,79 9.578,80 0.359,81 1.051,82 19.823,83 6.629,84 42.407,85 8.087,86 0.171,87 0.926,88 15.337,89 6.503,90 23.3,91 8.509,92 0.349,93 0.955,94 17.432,95 6.845,96 45.767,97 8.803,98 0.227,99 0.912,100 15.709,101 6.349,102 28.611,103 8.29,104 2,105 41,106 0.259,107 0.58,108 0.76,109 0.884,110 0.891,111 0.891,112 3.374,113 0.853,114 -3.61,115 -3.58,116 -3.41,120 47.8,126 1,143 11,144 3,145 1,146 1,147 1,152 1,153 1,156 1,159 1,170 1,174 12,177 5,180 1,182 3,185 10,188 2,189 11,192 1,194 2,197 6,201 10,205 1,206 3,209 3,214 6,219 2,222 5,227 4,230 1,232 1,235 9,239 1,240 3,243 1,245 2,247 13,251 1,252 1,257 2,260 12,264 1,269 2,271 7,274 1282,275 19.482,276 19.482,277 19.482,278 19.482,279 19.482,280 16.576,281 12.3,282 11.828,283 19.763,284 15.325,285 15.325,286 15.325,287 15.325,288 15.325,289 11.027,290 12.23,291 5.617,292 15.751,293 3.982,294 2.073,295 1.001,296 0.261,297 0.217,298 0.217,299 4.076,305 1,306 1,307 1,308 822,309 3.317,312 92.578,313 258.911,317 139.211,320 2.37,321 20.714,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60,333 373,334 4.494,335 3.551,336 6.506,337 4.001,338 3.032,339 4.43,340 1.151,341 10.196,342 2.936,343 4.19,344 3.188,345 6.029,346 3.828,347 2.822,348 3.77,349 0.98,350 8.589,351 2.834,352 3.963,353 2.78,354 5.355,355 3.505,356 2.541,357 3.541,359 7.001,360 2.448,361 3.734,362 2.617,363 5.339,364 3.391,365 2.404,366 3.082,368 6.904,369 2.37,370 3.491,371 2.318,372 5.166,373 3.043,374 2.08,375 2.888,377 6.169,378 1.993,379 3.118,380 1.951,381 4.223,382 2.589,383 1.618,384 2.427,386 3.97,387 1.57,388 3.062,389 1.792,390 4.159,391 2.586,392 1.613,393 2.183,395 3.791,396 1.564,397 2.792,398 1.618,399 3.601,400 2.281,401 1.298,402 1.905,404 2.868,405 1.271,406 2.767,407 1.343,408 3.55,409 2.259,410 1.269,411 1.815,413 2.823,414 1.254,415 2.5,416 1.233,417 3.414,418 2,419 1.025,420 1.5,422 2.348,423 1,424 2.411,425 1.076,426 3.405,427 1.954,428 1,429 1.376,431 2.275,432 0.945,433 2.343,434 1,435 3.127,436 1.786,437 0.795,438 1.155,440 1.747,441 0.782,442 2.118,443 0.793,444 3,445 1.567,446 0.618,447 0.927,449 1.372,450 0.585,451 1.833,452 0.618,453 3,454 1.468,455 0.533,456 0.678,458 1.249,459 0.493,460 1.158,461 0.455,462 2.497,463 0.782,464 -0.18,465 -0.229,467 -0.436,468 -0.173,469 13.267,470 0.474,471 0.465,472 0.017,473 41.25,474 1.473,475 23.5,476 0.839,477 17.75,478 0.634,479 17.117,480 0.611,481 28.133,482 0.612,483 29.513,484 1.054,485 8.648,486 0.309,487 5.145,488 0.184,489 0.025,491 0.264,496 0.762,497 1.051,498 0.715,499 0.927,500 0.614,501 0.83,502 0.998,503 1.154,504 0.932,505 1.048,506 0.748,507 0.992,508 0.975,509 1.106,510 1.003,511 1.136,512 0.864,513 1.089,514 1.424,515 1.083,516 1.063,517 1.06,518 1.207,519 1.017,520 1.701,521 0.821,522 1.164,523 0.777,524 1.51,525 0.861,526 0.721,527 1.002,528 0.964,529 1.072,530 0.825,531 1.061,532 0.925,533 0.85,534 0.948,535 0.892,536 1.485,537 0.925,538 0.845,539 0.891,540 1.077,541 0.984,542 1.01,543 1.053,544 4,545 0.116,546 2.889,547 1.16,548 0.863,549 0.615,550 0.392,551 0.236,552 0.152,553 0.173,554 12202,555 33097,556 2.159,557 39.1,559 13,560 1,561 2,562 2,567 1.702,568 2.1,569 3.668,570 0.212,572 1,575 70.918,576 1.542,577 3.451,578 4.522,579 5.263,580 5.306,581 5.306,582 3.098,583 4.182,584 4.778,585 3.899,586 1473.91,587 8.263,588 21030.6,590 1,592 1,593 254.084,594 1.018,595 4.772,596 0.129,597 0.006,598 0.07,599 0.03,600 0.026,601 0.021,602 0.014,603 0.008,604 0.006,605 0.008,606 0.318,607 0.33,608 1,609 0.343,610 145.11,612 0.031,613 0.044,614 0.009,615 -0.052,616 0.029,617 -0.048,618 -0.111,619 -0.098,620 -0.104,621 -0.046,622 -0.109,623 0.085,624 -0.115,625 -0.061,626 -0.172,627 0.092,628 -0.148,629 -0.121,630 -0.113,631 -0.031,632 -0.096,633 -0.031,634 -0.057,635 -0.326,636 0.175,637 -0.116,638 0.178,639 -0.248,640 0.09,641 0.052,642 -0.044,643 -0.03,644 -0.074,645 0.038,646 -0.066,647 0.138,648 0.089,649 0.043,650 0.11,651 0.024,652 0.071,653 -0.039,654 0.072,655 -0.121,656 0.012,657 -0.122,658 -0.053,659 1.937,660 5.136,661 0.75,662 31.77,663 1.005,664 1.116,665 2.378,666 5.654,667 0.701,668 3.466,669 3.738,670 3.989,671 4.19,672 4.331,673 4.331,674 4.407,675 4.466,676 4.595,677 4.605,678 7.975,679 0.678,680 370.44,681 3.466,682 4.977,683 5.808,684 6.653,685 7.495,686 8.344,687 9.189,688 10.04,689 10.888,690 11.74,691 8.7,698 1,699 1,700 1,701 1,708 2,709 13,710 1,711 1,714 4,716 22,735 1,738 46,739 24,740 2,741 31,743 49,744 22,745 19,746 5,747 7,748 2,752 4,753 5,755 1,768 21,769 1,772 2,778 1,780 1,781 1,782 1,786 1,789 18,790 5,791 2,792 6,797 4,803 0.75,804 2,816 1,818 1,822 1,823 3,827 1,855 3,862 28,869 1,871 1,872 1,886 4.3,889 1,891 1,893 13.333,894 8.15,895 6.25,896 2.56,898 4.508,899 1.6,900 1.019,901 5.457,902 12.02,903 3.807,904 4.398,905 4.998,906 5.555,907 6.009,908 6.212,909 6.53,910 6.837,911 7.258,912 7.324,913 0.889,914 39,915 10.279,917 4.307,918 7.738,919 19.47,921 15.561,924 2.238,925 62.667,928 1,929 188.338,930 159.766,931 68.122,933 36.145,936 159.766,937 224.482,938 68.122,940 22.481,941 113.286,942 79.225,943 69.828,944 14.528,945 153.024,947 188.338,948 227.889,949 36.145,952 188.338,953 36.145,956 67.121,957 134.935,958 25.833,960 188.338,961 104.267,962 159.766,965 188.338,966 28.385,967 131.381,968 34.674,969 69.593,970 188.338,971 104.267,972 159.766,973 0.568,974 0.332,975 0.176,976 0.086,977 19,978 7,979 0.122,980 6,981 1,982 1.095,983 4.269,984 227.885,985 0.095,986 21,987 128.606,993 17.959,994 8.507,995 4.472,996 1.868,997 87.482,998 24.233,999 4.384,1000 2.978,1003 3.035,1005 34.674,1006 452.371,1007 44,1013 12.136,1015 1.554,1016 3.93,1017 -0.27,1020 46.247,1021 51.318,1022 0.279,1023 0.625,1024 0.819,1025 0.953,1026 0.961,1027 0.961,1028 4.994,1029 1.298,1030 5.746,1031 3.791,1032 4.419,1033 5.085,1034 1.717,1035 6.485,1036 4.368,1037 6.185,1038 1.269,1039 7.255,1040 2.868,1041 3.761,1042 4.677,1044 7.248,1045 3.716,1046 7.466,1047 1.025,1048 8.866,1049 2.823,1050 5.938,1051 7.286,1052 1.849,1053 10.324,1054 5.844,1055 8.789,1056 1,1057 10.541,1058 2.348,1059 6.176,1060 7.806,1062 11.98,1063 6.083,1064 10.144,1065 0.795,1066 12.259,1067 2.275,1068 7.729,1069 9.779,1070 2.004,1071 14.534,1072 7.599,1073 11.524,1074 0.618,1075 14.007,1076 1.747,1077 8.392,1078 10.758,1080 16.554,1081 8.255,1082 12.923,1083 0.533,1084 15.776,1085 1.372,1086 9.677,1087 12.452,1088 2.181,1089 18.939,1090 9.511,1091 3.032,1092 -0.18,1093 17.562,1094 1.249,1095 10.551,1096 13.67,1098 21.118,1099 10.37,1100 2.822,1101 10.196,1102 19.36,1103 -0.436,1104 11.718,1105 15.238,1106 2.378,1107 23.449,1108 11.512,1109 2.541,1110 8.589,1111 21.167,1112 4.43,1113 12.697,1114 16.582,1116 25.698,1117 12.471,1118 2.404,1119 7.001,1120 22.983,1121 3.77,1122 13.813,1123 18.095,1124 2.592,1125 28.013,1126 13.564,1127 2.08,1128 6.904,1129 24.806,1130 3.541,1131 14.845,1132 19.505,1134 30.296,1135 14.573,1136 1.618,1137 6.169,1138 26.635,1139 3.082,1140 15.942,1141 20.995,1142 2.821,1143 32.608,1144 15.645,1145 1.613,1146 3.97,1147 28.469,1148 2.888,1149 17.002,1150 22.439,1152 34.908,1153 16.679,1154 11316,1155 18779,1156 21.553,1157 32.262,1158 45.888,1159 46.764,1160 45.682,1161 45.24,1162 45.295,1163 63.354,1164 4.261,1165 122.603,1166 44.087,1167 5.33,1168 5.551,1169 6.195,1170 5.063,1171 5.032,1172 7.43,1173 2.302,1174 16.977,1175 4.936,1176 6.807,1177 1.48,1178 1.509,1179 1.474,1180 1.459,1181 1.461,1182 2.044,1183 0.137,1184 3.955,1185 1.422,1186 4.07,1187 4.095,1188 4.031,1189 3.993,1190 7.429,1191 3.999,1192 3.957,1193 4.003,1194 3.902,1195 3.871,1196 5.036,1197 3.871,1198 3.91,1199 3.942,1200 3.849,1201 3.79,1202 4.929,1203 3.801,1204 3.491,1205 3.536,1206 3.425,1207 3.355,1208 4.726,1209 3.355,1210 3.426,1211 3.481,1212 3.342,1213 3.215,1214 4.543,1215 3.247,1216 3.195,1217 3.249,1218 3.094,1219 2.973,1220 4.481,1221 2.996,1222 2.999,1223 3.036,1224 2.929,1225 2.839,1226 4.244,1227 2.852,1228 2.854,1229 2.925,1230 2.705,1231 2.735,1232 3.834,1233 2.715,1234 0.145,1235 0.115,1236 0.21,1237 0.129,1238 0.098,1239 4.494,1240 0.143,1241 3.551,1242 0.037,1243 6.506,1244 0.329,1245 4.001,1246 0.095,1247 3.032,1248 4.43,1249 1.151,1250 10.196,1251 2.936,1252 2.026,1253 2.005,1254 2.103,1255 2.118,1256 1.208,1257 2.114,1258 1.919,1259 1.897,1260 2.023,1261 2.008,1262 1.147,1263 2.012,1264 1.587,1265 1.538,1266 1.708,1267 1.811,1268 0.752,1269 1.782,1270 1.461,1271 1.415,1272 1.649,1273 1.642,1274 0.67,1275 1.646,1276 1.453,1277 1.398,1278 1.631,1279 1.6,1280 0.626,1281 1.61,1282 1.295,1283 1.26,1284 1.47,1285 1.523,1286 0.61,1287 1.508,1288 1.033,1289 0.981,1290 1.239,1291 1.334,1292 0.218,1293 1.32,1294 0.887,1295 0.821,1296 1.181,1297 1.089,1298 0.183,1299 1.107,1300 4.143,1302 5.425,1303 2.398,1304 6.901,1305 4.443,1306 8.465,1307 6.26,1308 10.077,1315 0.391,1317 2.506,1318 5.922,1326 31.203,1327 70.918,1328 158.727,1329 208.03,1330 242.084,1331 244.084,1332 244.084,1333 38.989,1334 7.512,1335 79.37,1336 79.37,1337 23,1338 12.297,1339 4.644,1340 3.807,1341 42.855,1342 136,1343 120,1344 0.151,1345 192.269,1346 326.02,1347 460.897,1348 21920,1350 19.184,1351 0.685,1352 0.536,1353 19.184,1354 15.001,1355 13.793,1356 0.445,1357 0.284,1358 8.704,1359 13.323,1360 8.539,1361 7.112,1362 13.793,1363 8.818,1364 11.816,1365 0.288,1366 0.15,1367 11.816,1368 6.141,1369 10.112,1370 0.191,1371 0.079,1372 10.112,1373 4.198,1374 8.189,1375 0.126,1376 0.042,1377 8.189,1378 2.756,1379 6.118,1380 0.082,1381 0.023,1382 6.118,1383 1.712,1384 0.247,1385 86.105,1386 0.215,1387 27.689,1388 0.385,1389 144,1390 431.427,1391 156.307,1392 421.421,1393 579.72,1394 396,1395 166,1396 428.627,1397 179.196,1398 435.855,1399 629.5,1400 410,1401 6.796}
{0 CHEMBL1342339,1 1.75,2 10.905,3 3.62,4 13.107,5 85.306,6 10.271,7 0.545,8 3.634,9 3.724,10 3.46,11 3.21,12 4.911,13 3.2,14 4.057,15 4.178,16 3.834,17 3.541,18 5.402,19 3.508,20 4.233,21 4.376,22 4.02,23 3.632,24 5.495,25 3.576,26 4.278,27 4.471,28 3.845,29 3.516,30 5.502,31 3.419,32 4.124,33 4.346,34 3.431,35 3.303,36 5.226,37 3.172,38 3.838,39 4.065,40 3.307,41 3.093,42 4.947,43 3.01,44 3.745,45 3.905,46 3.289,47 3.151,48 5.027,49 3.057,50 3.792,51 3.998,52 3.411,53 3.155,54 4.884,55 3.043,56 0.114,57 0.453,58 3.433,59 2.952,60 9.325,61 3.138,62 0.29,63 0.662,64 8.031,65 4.733,66 36.913,67 5.069,68 0.275,69 0.787,70 16.173,71 6.04,72 19.199,73 6.354,74 0.381,75 0.799,76 18.993,77 6.307,78 38.683,79 6.701,80 0.369,81 0.667,82 35.958,83 6.151,84 40.411,85 6.696,86 0.294,87 0.52,88 11.968,89 3.911,90 23.162,91 5.257,92 0.257,93 0.47,94 10.689,95 3.78,96 25.558,97 4.391,98 0.176,99 0.488,100 9.88,101 4.091,102 15.265,103 4.861,104 21,105 29,106 0.323,107 0.664,108 0.769,109 0.853,110 0.868,111 0.868,112 3.101,113 0.934,114 -4.48,115 -4.41,116 -4.15,118 1,120 44.1,125 1,143 7,144 2,145 3,156 1,159 1,168 1,170 1,172 1,174 7,175 1,177 3,180 1,182 3,185 7,186 2,189 9,194 5,197 5,198 2,201 6,206 5,209 1,214 2,219 1,220 1,222 2,226 1,228 1,230 1,231 1,232 1,235 6,239 1,243 2,247 7,260 6,261 1,264 3,269 1,271 3,272 2,274 554,275 14.008,276 14.008,277 14.008,278 14.008,279 14.008,280 12.181,281 12.082,282 8.297,283 14.389,284 10.756,285 10.756,286 10.756,287 10.756,288 10.756,289 8.001,290 8.424,291 3.821,292 11.335,293 3.337,294 1.483,295 0.917,296 0.456,297 0.375,298 0.375,299 3.762,305 1,306 1,307 1,308 470,309 3.082,313 155.247,320 1.633,321 20.547,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.75,333 229,334 4.248,335 3.576,336 6.061,337 3.793,338 2.864,339 3.906,340 1.437,341 8.714,342 2.769,343 4.165,344 3.237,345 5.929,346 3.777,347 2.784,348 3.757,349 0.86,350 8.227,351 2.639,352 3.729,353 2.677,354 5.311,355 3.358,356 2.386,357 3.071,359 6.816,360 2.308,361 3.596,362 2.443,363 5.233,364 3.191,365 2.231,366 2.935,368 6.575,369 2.1,370 2.856,371 2.13,372 4.169,373 2.36,374 1.48,375 1.978,377 3.725,378 1.331,379 2.845,380 1.933,381 3.809,382 2.339,383 1.359,384 1.871,386 3.075,387 1.189,388 2.658,389 1.515,390 3.429,391 2.05,392 1.078,393 1.571,395 2.425,396 1.039,397 2.5,398 1.043,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 1.815,407 1,408 2.946,409 1.521,410 0.641,411 0.728,413 1.145,414 0.543,415 1.374,416 0.498,417 2.645,418 0.994,419 0.045,420 0.056,422 0.097,423 0.043,424 0.971,425 0.363,426 2.283,427 0.566,428 -0.295,429 -0.353,431 -0.548,432 -0.174,433 0.801,434 0.253,435 2,436 0.357,437 -0.534,438 -0.655,440 -1.281,441 -0.46,442 0.607,443 -0.297,444 2,445 0.117,446 -0.85,447 -1.141,449 -2,450 -0.791,451 0.5,452 -0.614,453 1.811,455 -1,456 -1.358,458 -2.037,459 -0.973,460 0.412,461 -1,462 1.542,463 -0.014,464 -1,465 -1.5,467 -3,468 -1,469 10.633,470 0.506,471 0.489,472 0.023,473 28.5,474 1.357,475 16,476 0.762,477 12.5,478 0.595,479 14.339,480 0.683,481 21.767,482 0.64,483 18.575,484 0.885,485 5.919,486 0.282,487 4.177,488 0.199,489 0.235,491 0.282,496 0.813,497 0.969,498 0.492,499 0.755,500 0.766,501 0.784,502 0.861,503 1.024,504 0.616,505 0.749,506 0.515,507 0.813,508 0.877,509 1.321,510 0.988,511 1.154,512 0.719,513 1.108,514 1.193,515 1.183,516 1.01,517 0.982,518 1.123,519 1.067,520 1.042,521 1.075,522 1.798,523 1.367,524 1.079,525 1.197,526 0.325,527 0.82,528 0.393,529 0.692,530 0.336,531 0.789,532 0.569,533 0.893,534 0.909,535 0.965,536 0.768,537 1.094,538 0.708,539 0.853,540 0.75,541 0.792,542 0.537,543 0.899,544 4.5,545 0.078,546 2.444,547 1.063,548 0.836,549 0.59,550 0.243,551 0.149,552 0.18,553 0.153,554 4666,555 17846,556 1.968,557 38.2,559 10,561 1,562 2,567 1.622,568 1.826,569 3.411,570 0.378,572 1,574 1,575 59.51,576 1.75,577 3.605,578 4.171,579 4.631,580 4.712,581 4.712,582 2.892,583 3.654,584 4.365,585 3.569,586 749.491,587 7.427,588 8452.04,589 1,590 1,591 1,592 1,593 172.974,594 1.461,595 4.311,596 0.205,597 0.007,598 0.084,599 0.037,600 0.038,601 0.037,602 0.015,603 0.009,604 0.012,605 0.012,606 0.455,607 0.17,608 1,609 0.988,610 98.004,611 -0.059,612 0.125,613 -0.005,614 0.039,615 -0.124,616 0.032,617 0.01,618 0.018,619 0.016,620 0.103,621 0.169,622 0.056,623 -0.053,624 -0.292,625 -0.021,626 -0.208,627 -0.004,628 -0.193,629 -0.221,630 -0.17,631 -0.033,632 -0.03,633 -0.142,634 -0.112,635 -0.164,636 -0.097,637 -0.245,638 -0.229,639 -0.179,640 -0.14,641 0.372,642 0.182,643 0.131,644 0.148,645 0.226,646 0.217,647 0.202,648 0.119,649 -0.08,650 -0.041,651 0.057,652 -0.149,653 -0.032,654 0.126,655 0.072,656 0.148,657 0.025,658 0.118,659 2.617,660 3.731,661 0.571,662 17.995,663 1.021,664 1.116,665 3.249,666 10.555,667 0.715,668 3.135,669 3.401,670 3.584,671 3.689,672 3.829,673 3.807,674 3.689,675 3.555,676 3.638,677 3.807,678 6.39,679 0.687,680 349.2,681 3.135,682 4.635,683 5.442,684 6.275,685 7.096,686 7.93,687 8.754,688 9.589,689 10.414,690 11.248,691 5.9,696 1,700 1,709 7,714 5,716 12,725 1,735 1,737 1,738 34,739 14,740 2,741 22,742 1,743 35,744 15,745 12,746 5,747 7,748 2,752 2,753 2,755 1,768 14,769 1,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 13,790 5,791 2,792 6,793 1,797 2,803 1,804 3,823 2,853 1,855 2,858 1,859 1,862 21,868 1,871 1,872 1,885 1,886 8.8,888 1,889 1,891 1,893 11.5,894 6.293,895 4.806,896 1.723,898 2.843,899 1.451,900 0.934,901 5.363,902 9.153,903 3.434,904 3.989,905 4.505,906 4.975,907 5.472,908 5.59,909 5.742,910 5.817,911 6.153,912 6.686,913 1,914 29,915 7.659,917 3.102,918 8.012,919 14.145,921 10.761,924 2.512,925 52.75,929 129.482,930 104.601,931 80.505,933 78.828,936 150.555,937 208.31,938 34.551,939 10.883,941 66.334,942 107.445,943 45.089,945 117.711,946 45.954,947 129.482,948 139.152,949 78.828,951 45.954,952 129.482,953 78.828,956 16.663,957 95.553,958 26.936,959 45.954,960 129.482,961 113.379,962 150.555,965 129.482,966 18.336,967 86.264,968 63.842,969 95.491,970 129.482,971 113.379,972 150.555,973 0.572,974 0.33,975 0.157,976 0.078,977 12,978 6,979 0.143,980 5,982 1,983 3.407,984 143.345,986 12,987 88.239,993 15.543,994 7.246,995 4.311,997 113.379,998 11.955,1003 3.453,1005 60.572,1006 393.416,1007 30,1013 10.731,1015 1.662,1016 4.099,1017 -0.951,1020 34.716,1021 37.958,1022 0.344,1023 0.709,1024 0.82,1025 0.91,1026 0.926,1027 0.926,1028 4.625,1029 1,1030 5.407,1031 2.425,1032 4.078,1033 4.673,1034 1.888,1035 6.133,1036 3.982,1037 5.825,1038 0.641,1039 6.927,1040 2.275,1041 3.611,1042 4.388,1044 6.905,1045 3.426,1046 7.111,1047 0.045,1048 8.541,1049 1.145,1050 5.602,1051 6.816,1052 2.362,1053 9.879,1054 5.437,1055 8.432,1056 -0.295,1057 10.21,1058 0.097,1059 5.916,1060 7.302,1062 11.414,1063 5.658,1064 9.779,1065 -0.534,1066 11.911,1067 -0.548,1068 7.378,1069 9.209,1070 2.965,1071 13.885,1072 7.14,1073 11.145,1074 -0.85,1075 13.633,1076 -1.281,1077 8.051,1078 10.063,1080 15.736,1081 7.723,1082 12.524,1083 -1,1084 15.369,1085 -2,1086 9.283,1087 11.726,1088 3.635,1089 18.017,1090 8.964,1091 2.864,1092 -1,1093 17.115,1094 -2.037,1095 10.133,1096 12.781,1098 20.015,1099 9.735,1100 2.784,1101 8.714,1102 18.869,1103 -3,1104 11.26,1105 14.313,1106 4.335,1107 22.218,1108 10.856,1109 2.386,1110 8.227,1111 20.629,1112 3.906,1113 12.2,1114 15.484,1116 24.288,1117 11.73,1118 2.231,1119 6.816,1120 22.394,1121 3.757,1122 13.277,1123 16.942,1124 5.05,1125 26.458,1126 12.79,1127 1.48,1128 6.575,1129 24.162,1130 3.071,1131 14.264,1132 18.183,1134 28.565,1135 13.721,1136 1.359,1137 3.725,1138 25.934,1139 2.935,1140 15.319,1141 19.597,1142 5.77,1143 30.722,1144 14.751,1145 1.078,1146 3.075,1147 27.708,1148 1.978,1149 16.33,1150 20.881,1152 32.848,1153 15.713,1154 4731,1155 9348,1156 14.216,1157 24.296,1158 32.3,1159 33.069,1160 33.167,1161 31.948,1162 31.735,1163 42.746,1164 4.593,1165 86.149,1166 29.919,1167 4.958,1168 5.576,1169 5.625,1170 4.797,1171 4.864,1172 6.906,1173 2.873,1174 14.937,1175 4.769,1176 11.829,1177 1.468,1178 1.503,1179 1.508,1180 1.452,1181 1.443,1182 1.943,1183 0.209,1184 3.916,1185 1.36,1186 3.961,1187 3.987,1188 6.88,1189 3.894,1190 7.475,1191 3.887,1192 3.891,1193 3.908,1194 3.891,1195 3.836,1196 6.351,1197 3.831,1198 3.417,1199 3.466,1200 3.776,1201 3.176,1202 4.926,1203 3.206,1204 3.271,1205 3.302,1206 3.35,1207 3.021,1208 4.776,1209 3.053,1210 3.11,1211 3.163,1212 3.176,1213 2.886,1214 4.553,1215 2.85,1216 2.87,1217 2.925,1218 2.933,1219 2.811,1220 4.268,1221 2.778,1222 2.854,1223 2.915,1224 2.687,1225 2.735,1226 3.774,1227 2.715,1228 2.728,1229 2.788,1230 2.61,1231 2.463,1232 3.674,1233 2.496,1234 0.193,1235 0.163,1236 0.276,1237 0.172,1238 0.13,1239 4.248,1240 0.178,1241 3.576,1242 0.065,1243 6.061,1244 0.396,1245 3.793,1246 0.126,1247 2.864,1248 3.906,1249 1.437,1250 8.714,1251 2.769,1252 1.913,1253 1.891,1254 2.004,1255 2.017,1256 1.095,1257 2.015,1258 1.878,1259 1.862,1260 1.95,1261 1.955,1262 1.075,1263 1.962,1264 1.294,1265 1.246,1266 1.58,1267 1.591,1268 0.58,1269 1.572,1270 1.165,1271 1.126,1272 1.363,1273 1.477,1274 0.331,1275 1.455,1276 1.022,1277 0.966,1278 1.185,1279 1.315,1280 0.218,1281 1.273,1282 0.886,1283 0.83,1284 1.181,1285 1.062,1286 0.205,1287 1.107,1288 0.872,1289 0.821,1290 1.056,1291 1.007,1292 0.167,1293 1.051,1294 0.626,1295 0.573,1296 0.857,1297 0.92,1299 0.926,1300 3.807,1302 5.081,1304 6.55,1306 8.101,1308 9.691,1309 3.403,1310 1.607,1314 8.804,1317 2.837,1318 5.149,1326 23.373,1327 59.51,1328 122.567,1329 141.812,1330 157.464,1331 160.219,1332 160.219,1333 35.813,1334 6.31,1335 70.92,1336 70.92,1337 12,1338 11.82,1339 3.907,1340 3.17,1341 39.76,1342 82,1343 69,1344 0.239,1345 153.941,1346 268.07,1347 367.375,1348 4130,1349 2.9,1350 15.242,1351 0.726,1352 0.609,1353 16.242,1354 12.794,1355 10.097,1356 0.459,1357 0.311,1358 6.005,1359 9.125,1360 5.797,1361 4.854,1362 10.674,1363 6.852,1364 8.78,1365 0.303,1366 0.172,1367 9.522,1368 5.001,1369 7.039,1370 0.201,1371 0.095,1372 7.746,1373 3.335,1374 5.278,1375 0.135,1376 0.056,1377 6.014,1378 2.19,1379 3.758,1380 0.084,1381 0.026,1382 4.09,1383 1.19,1384 0.389,1385 72.175,1386 0.265,1387 21.467,1388 0.617,1389 102,1390 364.253,1391 178.286,1392 385.438,1393 499.49,1394 356,1395 115,1396 326.045,1397 160.521,1398 344.553,1399 491.55,1400 320,1401 6.796}
{0 CHEMBL1342574,1 1.507,2 9.095,3 3.211,4 10.309,5 82.675,6 7.952,7 0.522,8 3.659,9 3.766,10 3.285,11 3.272,12 4.854,13 3.254,14 4.131,15 4.27,16 3.64,17 3.629,18 5.33,19 3.599,20 4.353,21 4.523,22 3.67,23 3.687,24 5.602,25 3.641,26 4.373,27 4.584,28 3.52,29 3.584,30 5.66,31 3.521,32 4.243,33 4.447,34 3.526,35 3.469,36 5.538,37 3.45,38 4.132,39 4.289,40 3.371,41 3.328,42 5.566,43 3.326,44 3.966,45 4.172,46 3.029,47 3.167,48 5.188,49 3.109,50 3.698,51 3.88,52 2.867,53 3.114,54 4.823,55 3.014,56 0.043,57 0.482,58 5.989,59 3.023,60 4.826,61 3.679,62 0.137,63 0.76,64 10.7,65 4.863,66 10.06,67 6.188,68 0.196,69 0.922,70 14.848,71 6.112,72 26.73,73 7.736,74 0.289,75 0.912,76 17.163,77 6.382,78 60.507,79 8.176,80 0.16,81 0.798,82 14.981,83 5.494,84 29.861,85 6.89,86 0.257,87 0.7,88 12.845,89 4.317,90 47.991,91 4.473,92 0.241,93 0.584,94 11.892,95 4.075,96 42.636,97 4.745,98 0.055,99 0.449,100 7.744,101 3.655,102 12.497,103 4.695,104 10,105 32,106 0.273,107 0.564,108 0.69,109 0.807,110 0.821,111 0.821,112 3.103,113 0.866,114 -4.65,115 -4.57,116 -4.3,120 48.6,121 1,136 1,137 1,143 9,144 2,145 1,159 2,170 1,174 13,176 2,177 4,182 2,185 15,189 6,192 2,194 4,197 11,200 1,201 7,206 2,209 3,214 11,219 3,222 5,227 9,232 2,235 6,240 3,245 1,247 8,252 2,260 11,271 9,274 557,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.269,281 12.053,282 8.371,283 14.197,284 11.339,285 11.339,286 11.339,287 11.339,288 11.339,289 8.489,290 9.913,291 4.001,292 11.403,293 3.623,294 2.014,295 1.315,296 0.672,297 0.593,298 0.593,299 3.781,305 1,306 1,307 1,308 410,309 2.121,312 57.626,313 138.437,320 1.442,321 21.435,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45,333 191,334 4.507,335 3.883,336 6.776,337 4.205,338 3.213,339 3.974,340 1.2,341 11.036,342 3.182,343 4.025,344 3.245,345 5.965,346 3.64,347 2.654,348 3.618,349 0.8,350 8.355,351 2.614,352 3.843,353 2.743,354 5.381,355 3.471,356 2.476,357 3.274,359 7,360 2.461,361 3.411,362 2.592,363 4.912,364 3.046,365 2.059,366 2.703,368 5.678,369 2.029,370 3.265,371 2.317,372 4.877,373 2.843,374 1.805,375 2.428,377 4.978,378 1.863,379 3.035,380 1.685,381 4.426,382 2.569,383 1.556,384 2.138,386 4.126,387 1.567,388 2.573,389 1.532,390 3.565,391 2.096,392 1.098,393 1.521,395 2.716,396 1.094,397 2.5,398 1.033,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 1.904,416 1,417 3.12,418 1.404,419 0.365,420 0.497,422 0.91,423 0.374,424 1.221,425 0.354,426 2.531,427 0.866,428 -0.157,429 -0.205,431 -0.346,432 -0.16,433 0.881,434 0.068,435 2.31,436 0.458,437 -0.579,438 -0.778,440 -1.373,441 -0.594,442 0.5,443 -0.398,444 2,445 0.153,446 -0.851,447 -1.076,449 -2.227,450 -0.85,451 0.5,452 -0.703,453 1.933,454 0.054,455 -1,456 -1.383,458 -2.347,459 -1,460 0.478,461 -1,462 1.704,464 -1,465 -1.5,467 -2.387,468 -1,469 9.967,470 0.475,471 0.524,472 0.025,473 29.75,474 1.417,475 17,476 0.81,477 12.75,478 0.607,479 12.76,480 0.608,481 21.233,482 0.607,483 20.922,484 0.996,485 6.177,486 0.294,487 3.971,488 0.189,489 0.117,491 0.341,496 0.563,497 0.984,498 0.709,499 0.902,500 0.533,501 0.839,502 0.525,503 1.158,504 0.769,505 1,506 0.553,507 0.937,508 0.855,509 1.235,510 0.971,511 1.156,512 0.885,513 1.095,514 1.041,515 1.047,516 0.979,517 0.984,518 0.966,519 0.967,520 1.27,521 1.02,522 0.784,523 0.884,524 1.143,525 0.77,526 2.327,527 1.033,528 1.362,529 0.966,530 2.284,531 0.992,532 1.87,533 0.656,534 1.237,535 0.706,536 1.871,537 0.833,538 0.651,539 0.959,540 1.045,541 1.146,542 0.679,543 1.164,544 4,545 0.049,546 2.444,547 1.701,548 1.263,549 0.702,550 0.411,551 0.282,552 0.056,553 0.063,554 4314,555 11591,556 2.074,557 40,558 3,559 10,562 1,567 1.632,568 1.938,569 3.152,570 -0.338,572 1,574 1,575 52.735,576 1.507,577 3.115,578 3.814,579 4.458,580 4.536,581 4.536,582 2.684,583 3.916,584 4.362,585 3.274,586 687.572,587 7.476,588 7184.2,589 1,590 1,591 1,592 1,593 179.525,594 1.418,595 4.322,596 0.174,597 0.008,598 0.076,599 0.055,600 0.049,601 0.026,602 0.019,603 0.018,604 0.004,605 0.007,606 0.435,607 0.67,608 1,609 0.61,610 94.404,611 0.041,612 0.089,613 0.039,614 0.031,615 -0.062,616 0.03,617 0.19,618 -0.106,619 0.054,620 -0.065,621 0.033,622 -0.042,623 0.108,624 -0.215,625 -0.056,626 -0.219,627 0.014,628 -0.178,629 0.068,630 -0.062,631 0.034,632 -0.026,633 0.127,634 -0.002,635 -0.052,636 -0.028,637 0.239,638 0.069,639 0.08,640 0.183,641 -0.453,642 0.002,643 -0.342,644 -0.068,645 -0.291,646 -0.158,647 -0.381,648 0.33,649 -0.184,650 0.249,651 -0.296,652 0.105,653 -0.031,654 -0.048,655 -0.155,656 -0.134,657 0.003,658 -0.158,659 2.028,660 5.362,661 0.81,662 15.596,663 1.005,664 1.112,665 3.422,666 11.708,667 0.7,668 3.178,669 3.497,670 3.761,671 4.007,672 4.205,673 4.143,674 4.234,675 4.344,676 4.29,677 4.234,678 5.269,679 0.675,680 278.33,681 3.178,682 4.71,683 5.557,684 6.431,685 7.3,686 8.181,687 9.06,688 9.945,689 10.829,690 11.717,691 5.7,696 1,698 1,709 9,714 3,716 12,738 35,739 15,740 2,741 23,743 37,744 17,745 12,746 3,747 9,748 4,752 3,753 3,759 1,768 16,769 1,772 3,778 2,780 1,782 3,785 1,786 1,789 14,790 4,791 1,792 4,797 2,801 1,803 1,804 2,822 1,823 2,845 1,846 1,855 3,859 1,862 21,871 1,875 1,886 5.7,889 2,893 10.833,894 6.617,895 4.611,896 2.004,898 2.395,899 1.36,900 1.002,901 3.486,902 9.053,903 3.497,904 4.06,905 4.605,906 5.1,907 5.597,908 5.565,909 5.864,910 6.215,911 6.415,912 6.519,913 1,914 31,915 7.764,917 3.337,918 7.905,919 14.521,921 11.748,924 2.405,925 50.5,929 153.024,930 125.31,931 20.89,933 50.29,936 125.31,937 203.314,938 20.89,939 8.825,940 3.002,941 94.762,942 77.587,943 12.313,945 153.024,947 153.024,948 146.2,949 50.29,952 153.024,953 50.29,956 11.827,957 107.009,958 27.364,960 153.024,961 71.18,962 125.31,965 153.024,966 21.723,967 106.589,968 17.888,969 50.29,970 153.024,971 71.18,972 125.31,973 0.582,974 0.341,975 0.182,976 0.103,977 16,978 7,979 0.081,980 3,982 1,983 3.346,984 160.618,986 17,987 84.239,993 13.438,994 5.447,995 2.678,997 71.18,998 16.658,1003 2.553,1005 17.888,1006 349.515,1007 32,1013 24.368,1015 1.36,1017 -0.3,1020 35.16,1021 38.907,1022 0.294,1023 0.607,1024 0.744,1025 0.869,1026 0.884,1027 0.884,1028 4.718,1029 1,1030 5.541,1031 2.716,1032 4.174,1033 4.745,1034 1.641,1035 6.347,1036 4.164,1037 5.923,1038 1,1039 7.099,1040 2.275,1041 3.761,1042 4.425,1044 7.244,1045 3.743,1046 7.221,1047 0.365,1048 8.76,1049 2.136,1050 5.759,1051 6.862,1052 1.786,1053 10.364,1054 5.726,1055 8.553,1056 -0.157,1057 10.481,1058 0.91,1059 6.176,1060 7.319,1062 12.13,1063 6.131,1064 9.916,1065 -0.579,1066 12.243,1067 -0.346,1068 7.652,1069 9.235,1070 2.014,1071 14.775,1072 7.595,1073 11.303,1074 -0.851,1075 14.034,1076 -1.373,1077 8.459,1078 10.074,1080 16.906,1081 8.39,1082 12.708,1083 -1,1084 15.847,1085 -2.227,1086 9.729,1087 11.744,1088 2.296,1089 19.39,1090 9.649,1091 3.213,1092 -1,1093 17.678,1094 -2.347,1095 10.723,1096 12.795,1098 21.675,1099 10.631,1100 2.654,1101 11.036,1102 19.522,1103 -2.387,1104 11.913,1105 14.333,1106 2.61,1107 24.103,1108 11.812,1109 2.476,1110 8.355,1111 21.378,1112 3.974,1113 12.995,1114 15.508,1116 26.453,1117 12.883,1118 2.059,1119 7,1120 23.243,1121 3.618,1122 14.159,1123 16.971,1124 2.943,1125 28.862,1126 14.037,1127 1.805,1128 5.678,1129 25.116,1130 3.274,1131 15.282,1132 18.221,1134 31.239,1135 15.15,1136 1.556,1137 4.978,1138 26.995,1139 2.703,1140 16.439,1141 19.642,1142 3.287,1143 33.642,1144 16.297,1145 1.098,1146 4.126,1147 28.88,1148 2.428,1149 17.582,1150 20.937,1152 36.032,1153 17.431,1154 4207,1155 7022,1156 15.315,1157 24.489,1158 35.302,1159 36.377,1160 35.715,1161 34.461,1162 34.452,1163 46.304,1164 4,1165 98.42,1166 34.367,1167 5.403,1168 5.883,1169 6.578,1170 5.208,1171 5.213,1172 6.974,1173 2.4,1174 18.345,1175 5.182,1176 9.5,1177 1.535,1178 1.582,1179 1.553,1180 1.498,1181 1.498,1182 2.013,1183 0.174,1184 4.279,1185 1.494,1186 4.007,1187 4.034,1188 3.966,1189 3.92,1190 7.448,1191 3.923,1192 3.898,1193 3.928,1194 3.832,1195 3.841,1196 7.408,1197 3.835,1198 3.7,1199 3.729,1200 3.646,1201 3.548,1202 4.786,1203 3.57,1204 3.218,1205 3.298,1206 3.073,1207 3.055,1208 4.744,1209 3.047,1210 2.915,1211 2.971,1212 2.874,1213 2.736,1214 4.213,1215 2.75,1216 2.854,1217 2.925,1218 2.75,1219 2.735,1220 3.98,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.847,1229 2.847,1230 2.687,1231 2.516,1232 3.674,1233 2.585,1234 0.196,1235 0.169,1236 0.295,1237 0.183,1238 0.14,1239 4.507,1240 0.173,1241 3.883,1242 0.052,1243 6.776,1244 0.48,1245 4.205,1246 0.138,1247 3.213,1248 3.974,1249 1.2,1250 11.036,1251 3.182,1252 1.919,1253 1.896,1254 2.035,1255 2.012,1256 1.13,1257 2.02,1258 1.91,1259 1.88,1260 2.028,1261 1.987,1262 1.112,1263 2.002,1264 1.432,1265 1.415,1266 1.561,1267 1.66,1268 0.623,1269 1.607,1270 1.339,1271 1.291,1272 1.543,1273 1.557,1274 0.618,1275 1.547,1276 1.139,1277 1.082,1278 1.304,1279 1.379,1280 0.27,1281 1.395,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.713,1295 0.661,1296 0.989,1297 0.936,1298 0.053,1299 0.95,1300 3.85,1302 5.165,1303 2.398,1304 6.673,1305 4.844,1306 8.263,1307 7.002,1308 9.896,1310 1.977,1317 2.85,1321 1.035,1326 23.633,1327 52.735,1328 109.021,1329 133.486,1330 156.015,1331 158.77,1332 158.77,1333 35.727,1334 6.658,1335 51.1,1336 51.1,1337 17,1338 12.248,1339 4,1340 3.322,1341 32.169,1342 65,1343 70,1344 0.245,1345 146.895,1346 259.6,1347 350.183,1348 5965,1350 14.82,1351 0.706,1352 0.549,1353 14.82,1354 11.537,1355 10.148,1356 0.441,1357 0.289,1358 6.573,1359 9.867,1360 6.386,1361 5.344,1362 10.148,1363 6.638,1364 9.16,1365 0.286,1366 0.153,1367 9.16,1368 4.881,1369 7.722,1370 0.184,1371 0.079,1372 7.722,1373 3.299,1374 6.235,1375 0.115,1376 0.04,1377 6.235,1378 2.158,1379 5.134,1380 0.078,1381 0.022,1382 5.134,1383 1.438,1384 0.377,1385 62.988,1386 0.256,1387 20.751,1388 0.694,1389 110,1390 329.449,1391 119.23,1392 322.94,1393 439.3,1394 300,1395 129,1396 324.132,1397 139.036,1398 329.916,1399 480.97,1400 310,1401 4.978}
{0 CHEMBL1343448,1 1.643,2 16.22,3 5.501,4 30.262,5 154.01,6 7.722,7 0.489,8 4.389,9 4.514,10 3.973,11 3.914,12 5.507,13 3.906,14 4.956,15 5.135,16 4.403,17 4.318,18 6.382,19 4.295,20 5.191,21 5.392,22 4.43,23 4.491,24 6.294,25 4.434,26 5.343,27 5.569,28 4.446,29 4.501,30 6.492,31 4.433,32 5.373,33 5.633,34 4.43,35 4.416,36 6.613,37 4.356,38 5.169,39 5.376,40 4.351,41 4.372,42 6.392,43 4.332,44 5.229,45 5.439,46 4.427,47 4.381,48 6.695,49 4.345,50 5.179,51 5.406,52 4.313,53 4.326,54 6.434,55 4.276,56 0.112,57 1.292,58 13.976,59 6.653,60 22.921,61 8.317,62 0.977,63 2.422,64 29.3,65 10.993,66 147.773,67 14.341,68 0.493,69 2.436,70 37.285,71 14.586,72 57.753,73 19.343,74 0.661,75 2.731,76 46.819,77 17.13,78 103.813,79 22.573,80 1.488,81 2.74,82 53.801,83 16.695,84 166.66,85 22.298,86 0.798,87 2.445,88 39.637,89 14.507,90 133.095,91 17.45,92 1.367,93 2.704,94 43.709,95 15.419,96 262.057,97 18.279,98 1.049,99 2.578,100 41.612,101 14.178,102 125.111,103 17.508,104 54,105 65,106 0.253,107 0.565,108 0.733,109 0.835,110 0.873,111 0.873,112 3.741,113 0.904,114 -4.81,115 -4.72,116 -4.43,120 42.5,121 2,126 6,133 1,143 10,144 6,145 2,152 1,153 1,159 2,174 14,177 4,180 2,182 9,185 14,188 1,189 6,194 11,197 10,201 9,206 6,209 6,214 9,217 2,218 2,219 2,222 13,227 5,230 1,232 1,235 18,239 1,240 3,243 1,245 5,247 17,251 1,252 3,257 7,260 12,264 6,267 1,269 4,271 8,274 3566,275 27.236,276 27.236,277 27.236,278 27.236,279 27.236,280 24.434,281 32.756,282 15.677,283 27.874,284 22.137,285 22.137,286 22.137,287 22.137,288 22.137,289 17.775,290 45.286,291 7.363,292 23.166,293 4.547,294 2.523,295 1.434,296 0.771,297 0.524,298 0.524,299 4.44,307 1,308 1447,309 4.637,312 105.57,313 591.536,316 196.381,320 2.577,321 63.096,324 0.75,325 0.83,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.78,332 91,333 665,334 4.566,335 4.472,336 7.254,337 4.275,338 3.388,339 4.493,340 3.825,341 12.281,342 3.11,343 4.562,344 3.617,345 6.671,346 4.124,347 3.131,348 4.071,349 1.058,350 10.724,351 3.065,352 4.319,353 3.569,354 6.208,355 3.94,356 2.947,357 3.96,358 1.058,359 9.245,360 2.921,361 3.953,362 3.076,363 5.896,364 3.623,365 2.692,366 3.307,367 0.916,368 8.199,369 2.573,370 3.797,371 2.949,372 5.725,373 3.593,374 2.636,375 3.171,376 0.8,377 7.892,378 2.442,379 3.734,380 2.836,381 5.623,382 3.395,383 2.448,384 3.006,385 0.172,386 7.273,387 2.337,388 3.637,389 2.805,390 5.432,391 3.324,392 2.342,393 2.758,395 7.11,396 2.222,397 3.412,398 2.526,399 5.242,400 3.166,401 2.213,402 2.535,404 6.601,405 2.095,406 3.059,407 2.213,408 5.012,409 2.856,410 1.922,411 2.322,413 5.85,414 1.774,415 3.049,416 1.88,417 4.53,418 2.566,419 1.588,420 2.158,422 4.403,423 1.55,424 2.998,425 1.824,426 4.19,427 2.543,428 1.547,429 2.085,431 3.712,432 1.538,433 2.764,434 1.657,435 4.131,436 2.284,437 1.265,438 1.817,440 3.441,441 1.278,442 2.751,443 1.548,444 4.038,445 2.249,446 1.24,447 1.773,449 3.194,450 1.243,451 2.582,452 1.38,453 3.878,454 2.118,455 1.156,456 1.615,458 3.126,459 1.094,460 2.5,461 1.146,462 3.414,463 1.97,464 1,465 1.5,467 2.275,468 0.968,469 19.024,470 0.464,471 1.226,472 0.03,473 50.75,474 1.238,475 24,476 0.585,477 26.75,478 0.652,479 39.825,480 0.971,481 45.176,482 0.619,483 48.103,484 1.173,485 10.32,486 0.252,487 9.298,488 0.227,489 0.133,490 0.026,491 0.331,493 3,496 0.611,497 1.112,498 0.727,499 1.074,500 0.552,501 0.959,502 0.516,503 0.833,504 0.771,505 0.908,506 0.367,507 0.896,508 0.68,509 0.942,510 0.914,511 1.085,512 0.559,513 1.062,514 0.87,515 1.105,516 0.942,517 1.171,518 0.845,519 1.099,520 1.017,521 0.749,522 0.878,523 0.773,524 1.143,525 0.788,526 1.274,527 1.05,528 1.053,529 0.979,530 1.359,531 0.964,532 1.284,533 1.239,534 1.062,535 1.007,536 1.324,537 0.984,538 1.283,539 1.113,540 1.097,541 0.977,542 1.319,543 0.984,544 10,545 0.329,546 5.333,547 2.938,548 2.83,549 1.688,550 1.184,551 0.866,552 0.647,553 0.497,554 30260,555 83270,556 2.055,557 43.8,558 3,559 22,560 1,562 3,564 3,567 1.804,568 1.9,569 3.934,570 0.74,575 119.913,576 1.643,577 3.666,578 4.756,579 5.419,580 5.666,581 5.666,582 3.412,583 5.046,584 5.329,585 4.147,586 3400.51,587 9.405,588 61497.2,593 451.857,594 1.597,595 5.272,596 0.222,597 0.007,598 0.082,599 0.044,600 0.044,601 0.027,602 0.02,603 0.014,604 0.012,605 0.01,606 0.482,607 0.17,608 0.75,609 0.779,610 235.557,611 -0.043,612 -0.101,613 0.032,614 -0.017,615 -0.067,616 0.02,617 0.305,618 0.217,619 0.107,620 0.092,621 0.356,622 0.061,623 -0.039,624 -0.08,625 -0.043,626 -0.092,627 0.027,628 -0.07,629 -0.037,630 -0.212,631 0.007,632 -0.181,633 -0.005,634 -0.098,635 0.098,636 0.205,637 0.174,638 0.179,639 -0.003,640 0.188,641 -0.16,642 -0.017,643 -0.073,644 0.028,645 -0.167,646 0.009,647 0.065,648 -0.024,649 -0.027,650 0.016,651 0.099,652 -0.018,653 -0.068,654 0.061,655 -0.075,656 0.022,657 -0.112,658 -0.018,659 5.815,660 6.073,661 0.659,662 54.025,663 1.013,664 1.139,665 3.577,666 12.797,667 0.66,668 3.829,669 4.19,670 4.443,671 4.691,672 4.913,673 4.963,674 5.088,675 5.17,676 5.268,677 5.371,678 9.325,679 0.638,680 563.68,681 3.829,682 5.398,683 6.252,684 7.143,685 8.013,686 8.903,687 9.779,688 10.669,689 11.548,690 12.438,691 6.8,694 2,698 2,699 1,708 2,709 11,711 1,714 7,716 22,723 2,738 73,739 24,740 3,741 45,743 77,744 31,745 20,746 9,747 9,748 2,752 5,753 6,759 3,765 1,768 22,769 9,772 2,778 2,782 2,787 3,789 32,790 9,791 3,792 10,797 5,803 0.8,804 2,818 1,822 1,823 4,826 1,851 2,855 4,859 2,861 3,862 41,869 6,871 2,875 2,876 1,885 3,886 2.7,889 2,893 21.583,894 13.579,895 8.833,896 4.471,898 4.198,899 1.489,900 1.009,901 8.506,902 12.783,903 4.078,904 4.684,905 5.256,906 5.825,907 6.323,908 6.557,909 6.907,910 7.178,911 7.367,912 7.726,913 0.909,914 67,915 15.844,917 7.384,918 8.039,919 28.635,921 23.804,924 2.539,925 104.083,929 341.362,930 177.422,931 59.056,933 50.29,934 44.88,936 177.422,937 391.652,938 103.936,939 17.65,940 48.656,941 103.81,942 59.699,943 91.929,944 13.915,945 329.591,946 7.76,947 341.362,948 236.477,949 95.17,952 306.049,953 130.483,956 97.1,957 139.378,960 386.242,961 109.346,962 177.422,965 349.121,966 48.202,967 127.709,968 52.807,969 95.17,970 341.362,971 154.226,972 177.422,973 0.593,974 0.344,975 0.18,976 0.098,977 31,978 15,979 0.091,980 7,981 1,982 1.074,983 4.982,984 412.445,985 0.074,986 27,987 210.905,993 28.877,994 12.077,995 6.649,996 1.592,997 137.44,998 17.626,1000 3.071,1003 1.32,1005 52.807,1006 673.01,1007 58,1013 26.124,1017 -0.915,1020 73.956,1021 83.157,1022 0.265,1023 0.592,1024 0.768,1025 0.875,1026 0.915,1027 0.915,1028 5.345,1029 2.213,1030 6.275,1031 7.11,1032 4.875,1033 5.373,1034 3.325,1035 7.12,1036 4.794,1037 6.568,1038 1.922,1039 7.864,1040 6.601,1041 4.635,1042 5.278,1043 3.919,1044 8.214,1045 4.452,1046 7.894,1047 1.588,1048 9.559,1049 5.85,1050 6.544,1051 7.58,1052 5.448,1053 11.254,1054 6.373,1055 9.253,1056 1.547,1057 11.316,1058 4.403,1059 7.091,1060 8.292,1061 6.691,1062 13.159,1063 6.821,1064 10.643,1065 1.265,1066 13.115,1067 3.712,1068 8.515,1069 10.108,1070 8.06,1071 15.786,1072 8.239,1073 12.056,1074 1.24,1075 14.944,1076 3.441,1077 9.405,1078 11.2,1079 9.389,1080 18.024,1081 9.043,1082 13.487,1083 1.156,1084 16.795,1085 3.194,1086 10.658,1087 12.819,1088 10.734,1089 20.535,1090 10.267,1091 3.388,1092 1,1093 18.665,1094 3.126,1095 11.704,1096 14.1,1097 12.074,1098 22.916,1099 11.236,1100 3.131,1101 12.281,1102 20.55,1103 2.275,1104 12.898,1105 15.633,1106 13.417,1107 25.399,1108 12.386,1109 2.947,1110 10.724,1111 22.447,1112 4.493,1113 14.017,1114 17.009,1115 14.758,1116 27.84,1117 13.431,1118 2.692,1119 9.245,1120 24.355,1121 4.071,1122 15.197,1123 18.506,1124 16.1,1125 30.321,1126 14.554,1127 2.636,1128 8.199,1129 26.273,1130 3.96,1131 16.352,1132 19.932,1133 17.441,1134 32.79,1135 15.636,1136 2.448,1137 7.892,1138 28.198,1139 3.307,1140 17.532,1141 21.415,1142 18.783,1143 35.276,1144 16.751,1145 2.342,1146 7.273,1147 30.131,1148 3.171,1149 18.706,1150 22.867,1151 20.124,1152 37.759,1153 17.85,1154 28412,1155 47450,1156 29.531,1157 48.171,1158 68.854,1159 69.329,1160 69.861,1161 68.258,1162 67.972,1163 86.655,1164 15.661,1165 201.507,1166 65.197,1167 5.566,1168 6.472,1169 6.809,1170 5.343,1171 5.388,1172 7.493,1173 5.335,1174 19.807,1175 5.11,1176 23.439,1177 1.53,1178 1.541,1179 1.552,1180 1.517,1181 1.51,1182 1.926,1183 0.348,1184 4.478,1185 1.449,1186 4.132,1187 4.164,1188 4.092,1189 4.046,1190 8.513,1191 4.054,1192 4.011,1193 4.046,1194 3.967,1195 3.923,1196 7.999,1197 3.928,1198 3.924,1199 3.956,1200 3.875,1201 3.853,1202 7.999,1203 3.853,1204 3.813,1205 3.879,1206 3.702,1207 3.622,1208 7.431,1209 3.631,1210 3.497,1211 3.545,1212 3.454,1213 3.31,1214 7.427,1215 3.328,1216 3.443,1217 3.516,1218 3.377,1219 3.255,1220 4.967,1221 3.264,1222 3.401,1223 3.457,1224 3.292,1225 3.194,1226 4.734,1227 3.195,1228 3.286,1229 3.332,1230 3.207,1231 3.082,1232 4.671,1233 3.102,1234 0.101,1235 0.099,1236 0.161,1237 0.095,1238 0.075,1239 4.566,1240 0.1,1241 4.472,1242 0.085,1243 7.254,1244 0.273,1245 4.275,1246 0.069,1247 3.388,1248 4.493,1249 3.825,1250 12.281,1251 3.11,1252 1.972,1253 1.951,1254 2.062,1255 2.081,1256 1.341,1257 2.077,1258 1.944,1259 1.92,1260 2.041,1261 2.053,1262 1.187,1263 2.05,1264 1.9,1265 1.876,1266 2.003,1267 1.998,1268 1.167,1269 2,1270 1.767,1271 1.696,1272 1.957,1273 1.954,1274 1.137,1275 1.957,1276 1.492,1277 1.432,1278 1.75,1279 1.711,1280 0.937,1281 1.702,1282 1.436,1283 1.354,1284 1.66,1285 1.671,1286 0.825,1287 1.697,1288 1.332,1289 1.284,1290 1.567,1291 1.574,1292 0.669,1293 1.554,1294 1.166,1295 1.126,1296 1.513,1297 1.436,1298 0.662,1299 1.429,1300 4.511,1302 5.861,1303 2.398,1304 7.394,1305 4.595,1306 9.011,1307 6.605,1308 10.671,1310 3.869,1312 42.04,1315 4.18,1317 5.451,1321 4.289,1322 -4.565,1326 46.588,1327 119.913,1328 267.651,1329 347.154,1330 395.593,1331 413.593,1332 413.593,1333 108.736,1334 8.585,1335 80.47,1336 80.47,1337 29,1338 12.969,1339 4.644,1340 3.807,1341 66.563,1342 232,1343 256,1344 0.137,1345 281.596,1346 498.57,1347 678.854,1348 80763,1349 4.1,1350 29.148,1351 0.711,1352 0.559,1353 26.648,1354 22.938,1355 19.618,1356 0.436,1357 0.301,1358 13.345,1359 18.776,1360 13.047,1361 10.763,1362 18.406,1363 13.564,1364 18.628,1365 0.287,1366 0.158,1367 16.633,1368 10.263,1369 15.093,1370 0.18,1371 0.09,1372 14.334,1373 7.567,1374 12.372,1375 0.115,1376 0.048,1377 11.63,1378 5.135,1379 10.068,1380 0.075,1381 0.026,1382 9.365,1383 3.534,1384 0.221,1385 123.605,1386 0.184,1387 37.043,1388 0.36,1389 220,1390 786.093,1391 251.437,1392 682.892,1393 903.85,1394 634,1395 259,1396 640.977,1397 284.509,1398 633.499,1399 948.16,1400 595,1401 5.555}
{0 CHEMBL1343925,1 1.862,2 10.925,3 5.306,4 28.152,5 146.962,6 8.87,7 0.386,8 4.288,9 4.397,10 4.022,11 3.823,12 5.507,13 3.827,14 4.842,15 4.991,16 4.504,17 4.227,18 6.331,19 4.214,20 5.085,21 5.261,22 4.705,23 4.427,24 6.314,25 4.393,26 5.195,27 5.374,28 4.783,29 4.488,30 6.545,31 4.486,32 5.279,33 5.453,34 4.861,35 4.536,36 6.862,37 4.556,38 5.274,39 5.435,40 4.785,41 4.561,42 6.76,43 4.571,44 5.343,45 5.528,46 4.775,47 4.593,48 6.884,49 4.57,50 5.348,51 5.552,52 4.666,53 4.564,54 6.723,55 4.518,56 0.219,57 1.222,58 9.54,59 5.713,60 32.06,61 6.119,62 1.159,63 2.312,64 23.239,65 9.666,66 154.228,67 10.417,68 0.956,69 2.595,70 36.89,71 13.744,72 84.701,73 14.709,74 1.025,75 2.93,76 41.239,77 14.222,78 107.385,79 14.871,80 1.682,81 3.202,82 41.374,83 14.03,84 217.21,85 14.37,86 1.27,87 3.149,88 36.846,89 14.25,90 168.134,91 14.337,92 1.613,93 3.312,94 41.814,95 15.674,96 236.509,97 17.176,98 1.334,99 3.097,100 47.979,101 16.69,102 173.691,103 18.597,104 47,105 64,106 0.293,107 0.637,108 0.745,109 0.802,110 0.83,111 0.835,112 3.719,113 0.895,114 -5.13,115 -5.03,116 -4.71,120 42.2,126 5,132 1,133 1,135 1,136 1,137 1,140 1,143 10,144 1,145 1,159 1,160 1,162 1,163 1,167 1,174 11,176 5,177 8,180 2,182 2,185 12,188 2,189 4,194 2,197 7,200 5,201 16,206 4,209 7,213 4,214 12,219 2,222 7,226 6,227 18,230 3,235 6,239 1,240 20,243 1,247 6,251 1,252 17,255 1,257 2,260 9,263 2,264 12,269 2,271 13,274 3048,275 27.122,276 27.122,277 27.122,278 27.122,279 27.122,280 24.55,281 30.517,282 16.032,283 28.075,284 21.64,285 21.64,286 21.64,287 21.64,288 21.64,289 17.679,290 33.913,291 7.375,292 23.349,293 4.138,294 1.958,295 1.273,296 0.91,297 0.731,298 0.699,299 4.417,307 1,308 941,309 4.416,312 112.759,313 534.783,320 1.394,321 73.23,324 0.75,325 0.67,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.75,332 90,333 437,334 4.906,335 5.166,336 8.512,337 4.736,338 3.855,339 4.361,340 3.648,341 16.694,342 3.398,343 4.656,344 4.247,345 7.047,346 4.239,347 3.312,348 4.062,349 3.02,350 12.13,351 3.075,352 4.278,353 4.009,354 6.657,355 3.91,356 2.996,357 3.679,358 2.035,359 10.636,360 2.745,361 3.812,362 3.607,363 6.13,364 3.51,365 2.582,366 3.257,367 1.686,368 8.53,369 2.4,370 3.776,371 3.446,372 6.016,373 3.402,374 2.479,375 3.129,376 0.975,377 8.071,378 2.351,379 3.752,380 3.352,381 5.723,382 3.367,383 2.419,384 2.952,385 0.86,386 7.561,387 2.211,388 3.386,389 2.828,390 5.13,391 2.946,392 2.003,393 2.489,394 0.8,395 5.763,396 1.876,397 3.216,398 2.42,399 4.92,400 2.755,401 1.856,402 2.224,403 0.48,404 5.169,405 1.626,406 3.103,407 2.309,408 4.647,409 2.569,410 1.658,411 2.078,413 4.516,414 1.502,415 2.914,416 2.248,417 4.187,418 2.455,419 1.494,420 1.912,422 3.378,423 1.429,424 2.841,425 2.074,426 3.889,427 2.35,428 1.385,429 1.754,431 3.124,432 1.321,433 2.762,434 1.752,435 3.737,436 2.14,437 1.223,438 1.622,440 2.826,441 1.1,442 2.509,443 1.459,444 3.56,445 2.04,446 1.089,447 1.5,449 2.48,450 1.024,451 2.5,452 1.405,453 3.484,454 2,455 1,456 1.5,458 2.136,459 1,460 2.5,461 1.256,462 3.436,463 2,464 1,465 1.434,467 2.136,468 1,469 18.657,470 0.466,471 1.041,472 0.026,473 50.5,474 1.263,475 23.5,476 0.588,477 27,478 0.675,479 41.046,480 1.026,481 43.143,482 0.674,483 51.456,484 1.286,485 10.261,486 0.257,487 9.042,488 0.226,489 0.112,490 0.054,491 0.252,493 3,496 0.635,497 1.103,498 0.644,499 1.018,500 0.559,501 0.911,502 0.584,503 0.8,504 0.788,505 0.914,506 0.428,507 0.886,508 0.716,509 1.011,510 0.868,511 1.072,512 0.662,513 0.886,514 1.03,515 1.2,516 1.033,517 1.125,518 1.002,519 0.857,520 1.1,521 1.147,522 0.977,523 0.918,524 1.093,525 0.791,526 1.177,527 1.183,528 1.072,529 1.051,530 1.237,531 1.001,532 1.011,533 0.988,534 1.045,535 1.01,536 1.12,537 1.051,538 0.948,539 1.004,540 1.193,541 1.129,542 0.976,543 1.084,544 7.5,545 0.302,546 5.778,547 3.778,548 3.492,549 2.681,550 1.574,551 1.018,552 0.874,553 0.573,554 20961,555 69361,556 2.065,557 37.5,559 23,562 1,567 1.812,568 1.92,569 3.362,570 -0.293,575 119.173,576 1.862,577 4.042,578 4.727,579 5.09,580 5.269,581 5.301,582 2.754,583 4.672,584 5.296,585 3.522,586 2747.35,587 9.42,588 43934.8,593 384,594 1.601,595 5.237,596 0.17,597 0.006,598 0.09,599 0.051,600 0.042,601 0.029,602 0.018,603 0.012,604 0.011,605 0.009,606 0.438,607 0.17,608 0.75,609 0.957,610 217.331,611 -0.034,612 -0.141,613 0.052,614 -0.056,615 -0.054,616 -0.021,617 0.317,618 0.233,619 0.123,620 0.089,621 0.305,622 0.014,623 0.072,624 -0.08,625 0.23,626 0.032,627 0.022,628 0.096,629 -0.09,630 -0.15,631 0.082,632 -0.036,633 -0.043,634 0.087,635 0.045,636 0.005,637 0.032,638 0.074,639 0.111,640 0.087,641 -0.139,642 -0.086,643 -0.181,644 -0.101,645 -0.093,646 -0.131,647 0.019,648 0.106,649 -0.119,650 -0.049,651 0.044,652 -0.134,653 -0.071,654 -0.052,655 -0.161,656 -0.116,657 -0.035,658 -0.113,659 6.174,660 6.871,661 0.725,662 37.35,663 1.028,664 1.141,665 3.903,666 15.232,667 0.688,668 3.807,669 4.174,670 4.522,671 4.852,672 5.136,673 5.288,674 5.476,675 5.568,676 5.659,677 5.74,678 6.663,679 0.675,680 567.65,681 3.807,682 5.38,683 6.267,684 7.191,685 8.11,686 9.046,687 9.978,688 10.918,689 11.857,690 12.8,691 10.9,697 1,698 2,699 1,700 1,701 2,709 10,710 2,714 4,715 1,716 17,732 1,738 64,739 21,740 2,741 44,743 68,744 27,745 14,746 2,747 10,748 2,752 5,753 5,757 1,759 1,763 1,765 1,766 1,767 1,768 19,769 7,772 3,773 1,778 1,780 1,782 3,787 3,789 24,790 11,791 1,792 13,793 1,797 7,803 1,804 2,822 1,823 4,833 1,843 1,845 1,846 1,854 1,855 5,856 1,857 1,861 3,862 40,869 5,871 1,872 1,873 1,875 2,876 2,877 1,882 1,883 1,884 1,885 3,886 3.1,889 1,890 1,893 20.833,894 11.545,895 8.868,896 3.682,898 3.113,899 1.376,900 0.977,901 8.025,902 11.386,903 4.069,904 4.608,905 5.187,906 5.782,907 6.285,908 6.621,909 7.056,910 7.407,911 7.752,912 8.038,913 1,914 74,915 15.843,917 7.954,918 8.15,919 27.31,921 22.599,924 2.65,925 106,929 270.735,930 210.841,931 90.544,933 36.145,934 44.88,935 32.22,936 178.621,937 306.88,938 135.424,940 52.404,941 104.239,942 88.4,943 93.112,944 4.276,945 302.955,946 7.76,947 270.735,948 269.165,949 81.025,950 32.22,952 270.735,953 70.025,954 11,956 81.582,957 144.781,958 42.802,959 32.22,960 315.616,961 126.689,962 210.841,965 278.495,966 66.474,967 112.386,968 34.612,969 161.177,970 270.735,971 171.569,972 210.841,973 0.58,974 0.357,975 0.21,976 0.124,977 31,978 14,979 0.088,980 6,982 1,983 4.459,984 445.352,986 29,987 196.122,989 1,993 27.95,994 11.484,995 5.175,997 169.67,998 16.035,999 8.628,1003 0.824,1004 1.619,1005 18.011,1006 653.145,1007 57.5,1008 3.645,1013 13.335,1015 1.374,1017 -1.477,1020 65.818,1021 72.998,1022 0.31,1023 0.674,1024 0.788,1025 0.848,1026 0.878,1027 0.883,1028 5.353,1029 1.856,1030 6.304,1031 5.763,1032 4.86,1033 5.296,1034 4.062,1035 7.263,1036 4.704,1037 6.576,1038 1.658,1039 7.962,1040 5.169,1041 4.691,1042 5.103,1043 3.386,1044 8.748,1045 4.362,1046 7.914,1047 1.494,1048 9.756,1049 4.516,1050 6.629,1051 7.44,1052 6.163,1053 11.929,1054 6.282,1055 9.296,1056 1.385,1057 11.638,1058 3.378,1059 7.353,1060 8.106,1061 5.851,1062 14.309,1063 6.823,1064 10.72,1065 1.223,1066 13.583,1067 3.124,1068 8.824,1069 9.923,1070 8.564,1071 17.165,1072 8.241,1073 12.175,1074 1.089,1075 15.572,1076 2.826,1077 9.912,1078 10.981,1079 8.318,1080 19.838,1081 9.161,1082 13.653,1083 1,1084 17.593,1085 2.48,1086 11.251,1087 12.587,1088 11.051,1089 22.641,1090 10.411,1091 3.855,1092 1,1093 19.64,1094 2.136,1095 12.482,1096 13.837,1097 10.836,1098 25.405,1099 11.49,1100 3.312,1101 16.694,1102 21.707,1103 2.136,1104 13.796,1105 15.351,1106 13.57,1107 28.206,1108 12.691,1109 2.996,1110 12.13,1111 23.789,1112 4.361,1113 15.084,1114 16.697,1115 13.403,1116 31.001,1117 13.837,1118 2.582,1119 10.636,1120 25.884,1121 4.062,1122 16.4,1123 18.172,1124 16.104,1125 33.808,1126 15.028,1127 2.479,1128 8.53,1129 27.988,1130 3.679,1131 17.713,1132 19.569,1133 16.005,1134 36.614,1135 16.204,1136 2.419,1137 8.071,1138 30.1,1139 3.257,1140 19.037,1141 21.028,1142 18.648,1143 39.424,1144 17.398,1145 2.003,1146 7.561,1147 32.218,1148 3.129,1149 20.362,1150 22.452,1151 18.627,1152 42.235,1153 18.589,1154 20065,1155 36778,1156 29.008,1157 44.023,1158 69.418,1159 71.64,1160 70.177,1161 67.075,1162 66.729,1163 83.477,1164 27.007,1165 203.799,1166 61.739,1167 5.906,1168 7.166,1169 8.314,1170 5.936,1171 5.855,1172 7.361,1173 7.176,1174 25.558,1175 5.398,1176 20.256,1177 1.578,1178 1.628,1179 1.595,1180 1.524,1181 1.517,1182 1.897,1183 0.614,1184 4.632,1185 1.403,1186 4.07,1187 4.118,1188 4.15,1189 3.949,1190 8.513,1191 3.951,1192 3.947,1193 3.979,1194 3.97,1195 3.862,1196 7.999,1197 3.861,1198 3.789,1199 3.831,1200 3.754,1201 3.691,1202 7.999,1203 3.689,1204 3.754,1205 3.801,1206 3.684,1207 3.565,1208 7.429,1209 3.58,1210 3.614,1211 3.669,1212 3.542,1213 3.431,1214 6.82,1215 3.439,1216 3.516,1217 3.567,1218 3.478,1219 3.352,1220 5.079,1221 3.352,1222 3.34,1223 3.389,1224 3.331,1225 3.122,1226 4.754,1227 3.163,1228 3.22,1229 3.259,1230 3.191,1231 2.941,1232 4.708,1233 2.97,1234 0.112,1235 0.117,1236 0.193,1237 0.108,1238 0.088,1239 4.906,1240 0.099,1241 5.166,1242 0.083,1243 8.512,1244 0.379,1245 4.736,1246 0.077,1247 3.855,1248 4.361,1249 3.648,1250 16.694,1251 3.398,1252 1.933,1253 1.909,1254 2.026,1255 2.048,1256 1.209,1257 2.041,1258 1.91,1259 1.879,1260 2.02,1261 2.015,1262 1.172,1263 2.017,1264 1.725,1265 1.692,1266 1.911,1267 1.931,1268 1.089,1269 1.929,1270 1.698,1271 1.639,1272 1.854,1273 1.878,1274 0.975,1275 1.876,1276 1.521,1277 1.474,1278 1.618,1279 1.667,1280 0.825,1281 1.675,1282 1.385,1283 1.349,1284 1.513,1285 1.628,1286 0.74,1287 1.576,1288 1.166,1289 1.11,1290 1.443,1291 1.447,1292 0.603,1293 1.429,1294 1.153,1295 1.064,1296 1.273,1297 1.392,1298 0.359,1299 1.393,1300 4.489,1302 5.844,1303 2.398,1304 7.419,1305 4.727,1306 9.099,1307 6.862,1308 10.838,1312 44.614,1315 1.787,1317 2.153,1318 5.456,1319 0.331,1321 2.987,1322 -7.78,1324 10.437,1325 2.033,1326 43.184,1327 119.173,1328 258.701,1329 302.516,1330 325.735,1331 337.245,1332 339.245,1333 114.886,1334 8.273,1335 99.31,1336 124.61,1337 29,1338 13.294,1339 4.459,1340 3.858,1341 63.061,1342 157,1343 170,1344 0.193,1345 265.019,1346 478.14,1347 638.405,1348 41738,1349 4.7,1350 28.33,1351 0.708,1352 0.549,1353 26.183,1354 21.952,1355 19.303,1356 0.439,1357 0.298,1358 12.119,1359 17.922,1360 11.904,1361 9.758,1362 18.434,1363 13.122,1364 17.594,1365 0.275,1366 0.157,1367 16.583,1368 10.066,1369 14.912,1370 0.164,1371 0.087,1372 14.697,1373 7.911,1374 13.158,1375 0.104,1376 0.046,1377 13.463,1378 5.832,1379 11.172,1380 0.066,1381 0.025,1382 11.307,1383 4.218,1384 0.291,1385 126.709,1386 0.186,1387 34.506,1388 0.576,1389 216,1390 848.868,1391 283.339,1392 757.534,1393 1007.67,1394 704,1395 263,1396 709.703,1397 332.911,1398 709.779,1399 1078.4,1400 667,1401 4.656}
{0 CHEMBL1345523,1 1.657,2 14.235,3 4.592,4 21.086,5 136.96,6 8.149,7 0.684,8 4.179,9 4.297,10 3.863,11 3.756,12 5.335,13 3.729,14 4.676,15 4.831,16 4.239,17 4.139,18 5.766,19 4.098,20 4.863,21 5.038,22 4.353,23 4.264,24 5.965,25 4.209,26 4.943,27 5.134,28 4.231,29 4.303,30 5.988,31 4.22,32 4.99,33 5.197,34 4.213,35 4.28,36 6.087,37 4.165,38 4.965,39 5.206,40 4.103,41 4.157,42 6.046,43 4.013,44 4.76,45 5.008,46 3.921,47 3.926,48 5.782,49 3.808,50 4.588,51 4.812,52 3.893,53 3.835,54 5.705,55 3.745,56 0.097,57 0.913,58 10.957,59 5.1,60 12.04,61 6.139,62 0.292,63 1.45,64 23.209,65 8.617,66 22.191,67 10.55,68 0.373,69 1.706,70 28.393,71 10.104,72 37.407,73 12.62,74 0.281,75 1.816,76 30.53,77 11.422,78 30.051,79 14.289,80 0.536,81 1.829,82 31.673,83 12.304,84 54.598,85 15.854,86 0.532,87 1.727,88 38.236,89 13.279,90 66.042,91 16.842,92 0.454,93 1.408,94 31.617,95 9.834,96 45.859,97 12.202,98 0.289,99 1.234,100 24.447,101 7.818,102 38.268,103 9.662,104 21,105 54,106 0.265,107 0.606,108 0.76,109 0.871,110 0.895,111 0.895,112 3.56,113 0.936,114 -5.44,115 -5.32,116 -4.97,120 43.1,121 1,125 1,126 2,143 11,144 3,145 2,153 2,159 1,162 1,163 1,164 1,165 1,166 1,167 1,169 1,170 1,174 11,176 2,177 11,180 1,182 2,185 12,189 13,191 2,192 2,194 5,197 10,199 2,201 8,206 3,209 11,211 2,213 4,214 5,217 3,219 2,222 13,224 1,226 2,227 2,229 2,230 3,231 1,232 3,234 1,235 6,237 1,239 1,240 7,245 3,247 2,252 11,257 4,260 1,262 2,264 7,269 3,271 4,273 2,274 2026,275 23.463,276 23.463,277 23.463,278 23.463,279 23.463,280 20.299,281 17.987,282 13.642,283 24.139,284 18.63,285 18.63,286 18.63,287 18.63,288 18.63,289 13.688,290 18.181,291 6.282,292 19.604,293 4.201,294 2.07,295 1.109,296 0.418,297 0.267,298 0.267,299 4.268,307 1,308 1072,309 3.674,312 162.938,313 290.683,316 257.57,320 2.176,321 26.443,324 0.75,325 0.83,326 1,327 0.6,329 1,330 1,331 0.74,332 73,333 484,334 4.822,335 4.481,336 7.048,337 4.32,338 3.349,339 4.929,340 3.359,341 12.146,342 3.253,343 4.488,344 3.599,345 6.638,346 4.058,347 3.124,348 4.196,349 1.737,350 10.549,351 2.933,352 3.993,353 3.373,354 5.783,355 3.594,356 2.635,357 3.568,358 0.86,359 7.901,360 2.533,361 3.962,362 3.038,363 5.755,364 3.527,365 2.579,366 3.559,367 0.146,368 7.829,369 2.417,370 3.686,371 2.791,372 5.699,373 3.249,374 2.267,375 3.133,377 7.304,378 2.227,379 3.579,380 2.555,381 5.382,382 3.149,383 2.196,384 2.904,386 6.796,387 2.091,388 3.444,389 2.439,390 5.245,391 3.047,392 2.114,393 2.732,395 6.467,396 1.946,397 3.281,398 2.262,399 4.777,400 2.84,401 1.853,402 2.537,404 5.283,405 1.822,406 2.906,407 2.019,408 4.437,409 2.411,410 1.446,411 2.103,413 3.985,414 1.406,415 2.831,416 1.769,417 3.895,418 2.361,419 1.411,420 1.955,422 3.178,423 1.315,424 2.586,425 1.428,426 3.821,427 2.148,428 1.187,429 1.617,431 2.808,432 1.132,433 2.547,434 1.264,435 3.768,436 2.05,437 1.087,438 1.567,440 2.552,441 1.038,442 2.5,443 1.137,444 3.556,445 2.027,446 1.049,447 1.5,449 2.525,450 1.022,451 2.376,452 1.116,453 3.483,454 2,455 1,456 1.338,458 2.398,459 1,460 1.778,461 1,462 3.206,463 1.425,464 0.565,465 0.655,467 1.374,468 0.472,469 16.4,470 0.482,471 0.76,472 0.022,473 47.5,474 1.397,475 25.5,476 0.75,477 22,478 0.647,479 27.778,480 0.817,481 35.2,482 0.607,483 37.048,484 1.09,485 9.325,486 0.274,487 7.259,488 0.214,489 0.106,491 0.354,496 0.788,497 1.086,498 0.725,499 0.898,500 0.712,501 0.851,502 0.918,503 1.118,504 0.908,505 0.999,506 0.634,507 0.853,508 1.047,509 1.086,510 0.864,511 0.972,512 1.038,513 0.907,514 0.997,515 1.159,516 1.113,517 1.117,518 0.765,519 1.103,520 0.788,521 1.02,522 0.987,523 1.052,524 1.121,525 1.161,526 0.725,527 1.025,528 1.121,529 1.149,530 0.888,531 1.062,532 1.234,533 0.939,534 1.098,535 0.946,536 1.344,537 0.895,538 1.286,539 1.015,540 1.061,541 0.961,542 1.458,543 0.899,544 6,545 0.185,546 4,547 3.368,548 1.748,549 1.181,550 0.728,551 0.503,552 0.25,553 0.236,554 19145,555 50279,556 2.127,557 41.4,559 18,562 3,564 3,567 1.755,568 2,569 3.764,570 0.84,575 96.118,576 1.657,577 3.788,578 4.749,579 5.44,580 5.591,581 5.591,582 3.21,583 4.771,584 5.063,585 3.97,586 2227.26,587 8.844,588 35420.3,593 339.763,594 1.379,595 5.023,596 0.158,597 0.006,598 0.074,599 0.059,600 0.033,601 0.025,602 0.018,603 0.015,604 0.008,605 0.008,606 0.404,607 0.17,608 0.63,609 0.753,610 185.14,611 0.027,612 0.048,613 0.064,614 0.039,615 -0.069,616 0.034,617 0.051,618 -0.032,619 0.064,620 0.014,621 0.035,622 0.075,623 -0.041,624 -0.031,625 0.087,626 0.01,627 -0.037,628 0.028,629 -0.154,630 -0.11,631 -0.183,632 -0.149,633 -0.033,634 -0.155,635 0.153,636 -0.024,637 -0.07,638 -0.102,639 -0.014,640 -0.196,641 0.238,642 -0.063,643 0.046,644 -0.066,645 0.222,646 -0.033,647 -0.08,648 0.05,649 0.066,650 0.095,651 -0.057,652 0.1,653 -0.151,654 0.022,655 0.06,656 0.062,657 -0.011,658 0.063,659 1.811,660 5.666,661 0.706,662 37.304,663 1.005,664 1.122,665 4.208,666 17.706,667 0.697,668 3.664,669 4.007,670 4.344,671 4.654,672 4.875,673 4.977,674 5.124,675 5.236,676 5.204,677 5.231,678 8.401,679 0.664,680 472.62,681 3.664,682 5.22,683 6.098,684 6.997,685 7.892,686 8.799,687 9.702,688 10.612,689 11.52,690 12.432,691 10.3,695 1,698 1,699 2,701 2,708 4,709 11,710 2,714 5,715 2,716 26,735 1,738 58,739 27,740 3,741 38,743 62,744 25,745 20,746 7,747 11,752 5,753 8,759 1,768 21,769 4,772 1,778 1,782 1,789 24,790 6,791 3,792 9,793 1,797 6,803 0.6,804 2,818 1,822 2,823 3,826 2,838 1,855 3,856 1,857 1,859 2,862 34,863 1,869 2,871 1,872 1,873 1,883 1,886 3.4,889 1,891 1,893 17,894 11.05,895 7.556,896 3.382,898 5.067,899 1.597,900 1.026,901 6.392,902 13.559,903 3.97,904 4.644,905 5.33,906 6.015,907 6.591,908 6.993,909 7.48,910 7.92,911 8.109,912 8.375,913 1,914 57,915 12.522,917 5.34,918 7.691,919 23.924,921 19.676,924 2.191,925 74.5,929 247.193,930 187.518,931 87.787,933 36.145,935 32.22,936 155.298,937 283.338,938 87.787,939 19.708,940 21.016,941 137.013,942 65.504,943 31.7,944 4.288,945 279.413,947 247.193,948 243.085,949 36.145,950 32.22,952 211.88,953 71.458,956 36.538,957 173.221,958 33.326,959 32.22,960 247.193,961 123.932,962 187.518,965 247.193,966 63.571,967 127.623,968 18.011,969 102.245,970 247.193,971 123.932,972 187.518,973 0.579,974 0.358,975 0.204,976 0.111,977 27,978 12,979 0.113,980 7,981 2,982 1.167,983 4.542,984 322.113,985 0.167,986 24,987 172.974,989 1,993 22.627,994 9.605,995 4.366,996 4.629,997 120.256,998 21.74,999 8.316,1003 3.19,1004 3.665,1005 50.785,1006 558.643,1007 52,1013 12.666,1017 -0.144,1020 58.294,1021 65.065,1022 0.283,1023 0.647,1024 0.811,1025 0.929,1026 0.954,1027 0.954,1028 5.207,1029 1.853,1030 6.089,1031 6.467,1032 4.691,1033 5.333,1034 3.399,1035 6.944,1036 4.6,1037 6.441,1038 1.446,1039 7.673,1040 5.283,1041 4.29,1042 5.239,1043 1.593,1044 7.932,1045 4.159,1046 7.772,1047 1.411,1048 9.358,1049 3.985,1050 6.323,1051 7.659,1052 5.576,1053 11.076,1054 6.146,1055 9.146,1056 1.187,1057 11.105,1058 3.178,1059 6.781,1060 8.449,1061 3.522,1062 12.935,1063 6.556,1064 10.555,1065 1.087,1066 12.892,1067 2.808,1068 8.266,1069 10.33,1070 7.946,1071 15.61,1072 8.01,1073 11.991,1074 1.049,1075 14.708,1076 2.552,1077 9.121,1078 11.542,1079 5.91,1080 17.834,1081 8.817,1082 13.448,1083 1,1084 16.545,1085 2.525,1086 10.401,1087 13.219,1088 10.351,1089 20.366,1090 10.07,1091 3.349,1092 0.565,1093 18.4,1094 2.398,1095 11.439,1096 14.633,1097 8.482,1098 22.742,1099 11.066,1100 3.124,1101 12.146,1102 20.268,1103 1.374,1104 12.648,1105 16.238,1106 12.763,1107 25.232,1108 12.247,1109 2.635,1110 10.549,1111 22.148,1112 4.929,1113 13.767,1114 17.744,1115 11.074,1116 27.67,1117 13.33,1118 2.579,1119 7.901,1120 24.037,1121 4.196,1122 14.955,1123 19.328,1124 15.176,1125 30.15,1126 14.49,1127 2.267,1128 7.829,1129 25.935,1130 3.568,1131 16.112,1132 20.877,1133 13.65,1134 32.614,1135 15.614,1136 2.196,1137 7.304,1138 27.839,1139 3.559,1140 17.295,1141 22.457,1142 17.59,1143 35.095,1144 16.77,1145 2.114,1146 6.796,1147 29.749,1148 3.133,1149 18.47,1150 24.026,1151 16.206,1152 37.571,1153 17.915,1154 17750,1155 28998,1156 25.66,1157 40.443,1158 57.253,1159 61.285,1160 59.722,1161 56.99,1162 57.111,1163 78.193,1164 12.207,1165 168.331,1166 54.459,1167 5.724,1168 6.481,1169 6.727,1170 5.469,1171 5.349,1172 7.929,1173 6.685,1174 19.378,1175 5.253,1176 15.902,1177 1.507,1178 1.613,1179 1.572,1180 1.5,1181 1.503,1182 2.058,1183 0.321,1184 4.43,1185 1.433,1186 4.231,1187 4.26,1188 4.206,1189 4.157,1190 7.429,1191 4.165,1192 3.999,1193 4.044,1194 4.075,1195 3.884,1196 5.251,1197 3.891,1198 3.752,1199 3.791,1200 3.818,1201 3.65,1202 5.001,1203 3.644,1204 3.708,1205 3.753,1206 3.653,1207 3.576,1208 4.853,1209 3.565,1210 3.53,1211 3.592,1212 3.494,1213 3.34,1214 4.716,1215 3.352,1216 3.435,1217 3.485,1218 3.334,1219 3.259,1220 4.552,1221 3.256,1222 3.239,1223 3.306,1224 3.103,1225 2.973,1226 4.348,1227 2.974,1228 3.068,1229 3.133,1230 3.029,1231 2.953,1232 4.192,1233 2.943,1234 0.127,1235 0.118,1236 0.185,1237 0.114,1238 0.088,1239 4.822,1240 0.13,1241 4.481,1242 0.088,1243 7.048,1244 0.32,1245 4.32,1246 0.086,1247 3.349,1248 4.929,1249 3.359,1250 12.146,1251 3.253,1252 1.991,1253 1.973,1254 2.067,1255 2.052,1256 1.227,1257 2.056,1258 1.9,1259 1.877,1260 2.007,1261 2.034,1262 1.18,1263 2.031,1264 1.898,1265 1.861,1266 1.996,1267 2.002,1268 1.093,1269 2,1270 1.536,1271 1.499,1272 1.772,1273 1.749,1274 0.903,1275 1.75,1276 1.458,1277 1.393,1278 1.584,1279 1.694,1280 0.841,1281 1.684,1282 1.324,1283 1.263,1284 1.57,1285 1.592,1286 0.58,1287 1.589,1288 1.189,1289 1.116,1290 1.45,1291 1.506,1292 0.46,1293 1.518,1294 1.074,1295 1.015,1296 1.256,1297 1.352,1298 0.376,1299 1.302,1300 4.344,1302 5.68,1303 3.045,1304 7.216,1305 5.533,1306 8.842,1307 7.735,1308 10.517,1310 3.737,1313 6.192,1315 1.034,1317 2.985,1318 5.259,1319 1.231,1326 38.486,1327 96.118,1328 219.681,1329 275.444,1330 315.498,1331 324.253,1332 324.253,1333 52.418,1334 8.492,1335 99.99,1336 125.29,1337 28,1338 12.947,1339 4.807,1340 3.907,1341 50.406,1342 176,1343 164,1344 0.138,1345 238.372,1346 395.17,1347 573.389,1348 70550,1350 23.656,1351 0.696,1352 0.579,1353 24.01,1354 19.673,1355 16.584,1356 0.436,1357 0.312,1358 10.801,1359 15.507,1360 10.428,1361 8.673,1362 17.038,1363 11.858,1364 14.671,1365 0.272,1366 0.161,1367 15.222,1368 8.681,1369 13.122,1370 0.173,1371 0.087,1372 13.925,1373 6.64,1374 11.364,1375 0.109,1376 0.046,1377 12.022,1378 4.79,1379 9.159,1380 0.07,1381 0.026,1382 9.838,1383 3.33,1384 0.225,1385 108.503,1386 0.197,1387 31.905,1388 0.36,1389 184,1390 526.557,1391 224.283,1392 534.261,1393 745.25,1394 502,1395 222,1396 555.48,1397 261.518,1398 575.051,1399 844.79,1400 540,1401 4.47}
{0 CHEMBL1345625,1 1.589,2 14.833,3 3.471,4 12.051,5 118.527,6 7.617,7 0.375,8 4.101,9 4.205,10 3.81,11 3.704,12 5.171,13 3.646,14 4.651,15 4.8,16 4.073,17 4.094,18 5.978,19 4.016,20 4.971,21 5.179,22 4.068,23 4.223,24 6.107,25 4.109,26 4.953,27 5.184,28 3.87,29 4.081,30 6.101,31 3.955,32 4.762,33 5.006,34 3.704,35 3.904,36 5.843,37 3.789,38 4.585,39 4.793,40 3.716,41 3.887,42 5.653,43 3.771,44 4.68,45 4.896,46 3.689,47 3.903,48 5.775,49 3.778,50 4.634,51 4.877,52 3.587,53 3.818,54 5.693,55 3.675,56 0.116,57 0.787,58 14.47,59 5.756,60 29.326,61 6.916,62 0.334,63 1.26,64 23.521,65 9.998,66 82.439,67 12.517,68 0.334,69 1.608,70 34.919,71 13.426,72 86.192,73 17.046,74 0.427,75 1.53,76 35.388,77 12.456,78 101.687,79 16.098,80 0.389,81 1.261,82 28.322,83 9.933,84 83.134,85 13.231,86 0.156,87 1.119,88 23.485,89 9.375,90 42.557,91 12.104,92 0.293,93 1.191,94 26.887,95 9.849,96 70.761,97 12.755,98 0.381,99 1.13,100 25.469,101 9.417,102 69.285,103 12.527,104 27,105 45,106 0.26,107 0.601,108 0.717,109 0.8,110 0.816,111 0.816,112 3.439,113 1.083,114 -3.7,115 -3.66,116 -3.49,120 41.1,122 6,126 1,131 1,142 2,143 8,144 3,145 1,159 1,164 1,165 1,166 1,174 17,176 1,177 1,179 2,180 3,182 5,185 21,189 6,194 8,197 17,199 2,201 7,206 8,209 9,211 2,214 4,219 6,222 11,224 1,227 5,232 4,235 15,237 1,240 3,245 2,247 17,255 2,256 1,259 1,260 14,264 2,267 1,268 1,269 2,271 9,274 1640,275 19.593,276 19.593,277 19.593,278 19.593,279 19.593,280 17.569,281 16.346,282 11.459,283 19.827,284 15.753,285 15.753,286 15.753,287 15.753,288 15.753,289 12.498,290 12.873,291 5.404,292 16.139,293 4.219,294 2.137,295 1.428,296 0.92,297 0.821,298 0.821,299 4.118,306 1,307 1,308 937,309 4.359,313 362.479,320 2.589,321 41.425,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 65,333 445,334 4.801,335 4.661,336 7.111,337 4.234,338 3.313,339 4.66,340 1.128,341 11.768,342 3.14,343 4.456,344 3.902,345 6.969,346 4.229,347 3.271,348 3.841,349 1.058,350 11.657,351 3.002,352 4.18,353 3.557,354 6.029,355 3.826,356 2.82,357 3.517,359 8.588,360 2.83,361 3.887,362 2.872,363 5.355,364 3.495,365 2.498,366 3.428,368 7.01,369 2.488,370 3.811,371 2.708,372 5.308,373 3.374,374 2.372,375 3.071,377 6.839,378 2.374,379 3.207,380 1.995,381 4.586,382 2.687,383 1.699,384 2.337,386 4.726,387 1.677,388 3.116,389 1.766,390 4.215,391 2.601,392 1.605,393 2.063,395 3.929,396 1.597,397 2.788,398 1.679,399 3.857,400 2.49,401 1.502,402 1.661,404 3.305,405 1.476,406 2.531,407 1.457,408 3.732,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.253,431 2.23,432 1,433 2.186,434 1,435 3.402,436 1.961,437 0.96,438 1.031,440 2.157,441 0.955,442 2,443 0.965,444 3.302,445 1.667,446 0.665,447 1,449 1.603,450 0.665,451 1.233,452 0.598,453 2.818,454 0.941,455 -0.04,456 -0.047,458 -0.094,459 -0.039,460 1.044,461 0.3,462 2.648,463 0.724,464 -0.269,465 -0.287,467 -0.634,468 -0.262,469 14.467,470 0.482,471 0.921,472 0.031,473 36,474 1.2,475 18.5,476 0.617,477 17.5,478 0.583,479 26.461,480 0.882,481 32.933,482 0.588,483 27.959,484 0.932,485 6.536,486 0.218,487 7.715,488 0.257,489 0.12,490 0.092,491 0.173,496 0.637,497 1.102,498 0.873,499 1.124,500 0.754,501 0.934,502 0.517,503 1.088,504 0.917,505 1.098,506 0.469,507 1.051,508 0.969,509 1.071,510 0.958,511 1.033,512 0.895,513 1.05,514 1.142,515 1.07,516 0.997,517 1.001,518 1.116,519 1.056,520 1.1,521 0.851,522 0.804,523 0.754,524 1.078,525 0.878,526 0.689,527 1.104,528 0.933,529 1.096,530 0.59,531 1.069,532 0.977,533 1.062,534 1.018,535 1.064,536 0.991,537 1.084,538 0.725,539 0.865,540 0.862,541 0.888,542 0.853,543 0.978,544 8,545 0.186,546 4,547 1.5,548 1.227,549 1,550 0.429,551 0.366,552 0.266,553 0.252,554 14054,555 40213,556 1.997,557 46.4,558 6,559 10,562 4,564 6,567 1.719,568 1.856,569 3.8,570 1.598,572 1,575 88.959,576 1.589,577 3.67,578 4.379,579 4.888,580 4.986,581 4.986,582 3.273,583 3.965,584 4.878,585 4.058,586 1765.22,587 8.454,588 27223,590 1,592 1,593 325.212,594 1.564,595 4.816,596 0.25,597 0.008,598 0.089,599 0.035,600 0.036,601 0.033,602 0.014,603 0.013,604 0.01,605 0.01,606 0.498,607 0.17,608 1,609 0.758,610 160.475,611 0.019,612 0.088,613 0.17,614 0.044,615 -0.147,616 0.084,617 0.249,618 -0.006,619 -0.007,620 -0.064,621 0.281,622 -0.054,623 -0.075,624 -0.097,625 -0.049,626 -0.063,627 -0.027,628 -0.059,629 -0.122,630 -0.12,631 -0.091,632 -0.084,633 -0.107,634 -0.089,635 -0.121,636 0.094,637 0.028,638 0.109,639 -0.127,640 0.084,642 -0.11,643 -0.033,644 -0.105,645 0.04,646 -0.056,647 -0.09,648 -0.098,649 -0.102,650 -0.097,651 -0.085,652 -0.091,653 0.082,654 0.088,655 0.017,656 0.034,657 -0.036,658 0.013,659 4.617,660 5.305,661 0.6,662 38.044,663 1.003,664 1.12,665 2.468,666 6.092,667 0.672,668 3.497,669 3.829,670 3.97,671 4.078,672 4.263,673 4.263,674 4.234,675 4.205,676 4.344,677 4.394,678 8.814,679 0.632,680 426.58,681 3.497,682 5.043,683 5.855,684 6.718,685 7.544,686 8.405,687 9.235,688 10.096,689 10.928,690 11.787,691 3.6,695 1,698 1,709 8,714 4,716 12,723 1,738 56,739 16,740 2,741 32,743 58,744 23,745 12,746 4,747 8,748 1,752 3,753 3,763 5,764 1,766 6,767 2,768 13,769 8,770 1,772 3,776 1,778 3,782 1,786 1,789 26,790 6,791 4,792 7,793 1,797 2,803 1,804 4,807 1,823 3,830 2,853 1,855 3,857 1,862 30,863 1,866 1,868 1,869 7,871 1,876 1,877 1,884 2,886 7.1,887 1,889 3,893 16.167,894 9.617,895 6.486,896 3.418,898 3.056,899 1.422,900 0.944,901 7.072,902 10.302,903 3.784,904 4.357,905 4.808,906 5.23,907 5.729,908 5.975,909 6.255,910 6.259,911 6.606,912 6.694,913 0.9,914 43,915 11.369,917 5.108,918 8.017,919 21.124,921 17.649,924 2.517,925 75.5,928 1,929 258.964,930 148.804,931 49.302,933 112.141,935 5.807,936 142.996,937 371.105,938 49.302,940 35.324,941 155.592,942 74.163,943 11.107,944 34.061,945 258.964,947 258.964,948 192.298,949 112.141,950 5.807,952 188.338,953 140.084,954 42.683,956 35.324,957 122.914,958 39.869,960 258.964,961 161.443,962 148.804,964 5.807,965 258.964,966 33.125,967 75.81,968 52.072,969 143.433,970 258.964,971 161.443,972 148.804,973 0.591,974 0.321,975 0.146,976 0.077,977 20,978 9,979 0.086,980 5,982 1,983 4.279,984 241.202,986 18,987 133.207,992 1,993 22.21,994 9.553,995 6.512,997 161.443,998 13.252,1003 2.255,1005 91.986,1006 569.211,1007 43,1011 -3.701,1013 34.836,1017 -0.193,1020 56.192,1021 62.737,1022 0.274,1023 0.632,1024 0.754,1025 0.842,1026 0.859,1027 0.859,1028 5.043,1029 1.502,1030 5.894,1031 3.929,1032 4.511,1033 5.043,1034 1.755,1035 6.72,1036 4.461,1037 6.292,1038 1,1039 7.483,1040 3.305,1041 4.369,1042 5.094,1044 8.063,1045 4.229,1046 7.648,1047 1,1048 9.192,1049 2.275,1050 6.221,1051 7.314,1052 1.909,1053 10.956,1054 6.084,1055 9.043,1056 1,1057 10.978,1058 2.275,1059 6.868,1060 8.166,1062 13.07,1063 6.622,1064 10.472,1065 0.96,1066 12.811,1067 2.23,1068 8.271,1069 9.936,1070 2.071,1071 15.622,1072 8.014,1073 11.925,1074 0.665,1075 14.676,1076 2.157,1077 9.231,1078 11.133,1080 17.972,1081 8.868,1082 13.395,1083 -0.04,1084 16.564,1085 1.603,1086 10.482,1087 12.742,1088 2.24,1089 20.449,1090 10.088,1091 3.313,1092 -0.269,1093 18.466,1094 -0.094,1095 11.571,1096 14.105,1098 22.871,1099 11.081,1100 3.271,1101 11.768,1102 20.38,1103 -0.634,1104 12.772,1105 15.655,1106 2.416,1107 25.332,1108 12.233,1109 2.82,1110 11.657,1111 22.302,1112 4.66,1113 13.914,1114 17.102,1116 27.779,1117 13.291,1118 2.498,1119 8.588,1120 24.23,1121 3.841,1122 15.101,1123 18.633,1124 2.599,1125 30.238,1126 14.418,1127 2.372,1128 7.01,1129 26.163,1130 3.517,1131 16.267,1132 20.123,1134 32.693,1135 15.506,1136 1.699,1137 6.839,1138 28.1,1139 3.428,1140 17.451,1141 21.65,1142 2.788,1143 35.152,1144 16.626,1145 1.605,1146 4.726,1147 30.04,1148 3.071,1149 18.628,1150 23.162,1152 37.61,1153 17.73,1154 13638,1155 23328,1156 20.742,1157 37.614,1158 48.99,1159 49.29,1160 48.273,1161 47.533,1162 47.41,1163 61.725,1164 4.373,1165 136.724,1166 46.408,1167 5.801,1168 6.661,1169 6.843,1170 5.256,1171 5.313,1172 7.66,1173 2.256,1174 18.643,1175 5.14,1176 16.791,1177 1.531,1178 1.54,1179 1.509,1180 1.485,1181 1.482,1182 1.929,1183 0.137,1184 4.273,1185 1.45,1186 4.073,1187 4.063,1188 4.728,1189 4.06,1190 7.726,1191 3.981,1192 3.967,1193 3.985,1194 3.922,1195 3.91,1196 7.429,1197 3.902,1198 3.847,1199 3.888,1200 3.756,1201 3.744,1202 6.999,1203 3.735,1204 3.709,1205 3.717,1206 3.733,1207 3.627,1208 6.45,1209 3.554,1210 3.478,1211 3.513,1212 3.417,1213 3.318,1214 4.847,1215 3.323,1216 3.302,1217 3.345,1218 3.189,1219 3.174,1220 4.826,1221 3.161,1222 3.111,1223 3.206,1224 2.984,1225 2.941,1226 4.666,1227 2.921,1228 3.098,1229 3.136,1230 2.866,1231 2.917,1232 4.42,1233 2.91,1234 0.15,1235 0.146,1236 0.222,1237 0.132,1238 0.104,1239 4.801,1240 0.146,1241 4.661,1242 0.035,1243 7.111,1244 0.368,1245 4.234,1246 0.098,1247 3.313,1248 4.66,1249 1.128,1250 11.768,1251 3.14,1252 1.977,1253 1.977,1254 2.088,1255 2.051,1256 1.447,1257 2.08,1258 1.943,1259 1.923,1260 2.042,1261 2.031,1262 1.258,1263 2.053,1264 1.847,1265 1.806,1266 1.997,1267 1.971,1268 1.093,1269 1.985,1270 1.586,1271 1.585,1272 1.708,1273 1.766,1274 0.969,1275 1.8,1276 1.382,1277 1.363,1278 1.513,1279 1.586,1280 0.825,1281 1.598,1282 1.279,1283 1.239,1284 1.494,1285 1.456,1286 0.729,1287 1.468,1288 1.153,1289 1.064,1290 1.29,1291 1.376,1292 0.486,1293 1.429,1294 1.04,1295 1.003,1296 1.214,1297 1.274,1298 0.269,1299 1.267,1300 4.174,1302 5.501,1304 7.011,1306 8.594,1308 10.21,1313 5.079,1314 10.448,1315 5.563,1317 2.844,1322 -0.888,1325 6.005,1326 35.411,1327 88.959,1328 205.544,1329 245.238,1330 273.702,1331 279.212,1332 279.212,1333 82.109,1334 7.246,1335 109.49,1336 117.87,1337 18,1338 12.344,1339 4.087,1340 3.585,1341 55.962,1342 160,1343 132,1344 0.166,1345 223.572,1346 399.49,1347 537.276,1348 15372,1350 21.615,1351 0.72,1352 0.585,1353 21.865,1354 17.543,1355 14.251,1356 0.445,1357 0.361,1358 10.058,1359 13.148,1360 9.714,1361 8.053,1362 15.145,1363 11.554,1364 13.683,1365 0.304,1366 0.204,1367 15.07,1368 9.176,1369 10.256,1370 0.197,1371 0.118,1372 11.013,1373 6.148,1374 7.535,1375 0.13,1376 0.068,1377 8.052,1378 3.939,1379 5.808,1380 0.083,1381 0.039,1382 6.176,1383 2.724,1384 0.275,1385 97.229,1386 0.22,1387 29.499,1388 0.416,1389 154,1390 451.862,1391 199.244,1392 463.643,1393 611.02,1394 422,1395 174,1396 407.685,1397 223.927,1398 452.224,1399 646.82,1400 422,1401 5.099}
{0 CHEMBL1345630,1 1.682,2 9.185,3 4.414,4 19.486,5 110.011,6 9.253,7 0.4,8 3.88,9 3.951,10 3.672,11 3.569,12 5.068,13 3.526,14 4.371,15 4.473,16 4.105,17 3.977,18 5.579,19 3.907,20 4.662,21 4.791,22 4.273,23 4.166,24 5.808,25 4.073,26 4.694,27 4.842,28 4.169,29 4.116,30 5.985,31 4.012,32 4.726,33 4.881,34 4.062,35 4.107,36 5.856,37 4.016,38 4.713,39 4.875,40 4.288,41 4.11,42 5.886,43 4.035,44 4.645,45 4.799,46 4.023,47 4.012,48 5.889,49 3.939,50 4.6,51 4.777,52 3.885,53 3.833,54 5.848,55 3.743,56 0.064,57 0.508,58 5.925,59 3.832,60 9.975,61 4.192,62 0.195,63 0.865,64 13.167,65 7.004,66 21.941,67 7.736,68 0.324,69 1.214,70 24.988,71 10.032,72 34.932,73 10.099,74 0.551,75 1.255,76 26.26,77 10.531,78 70.216,79 11.571,80 0.503,81 1.261,82 25.118,83 10.526,84 78.955,85 10.362,86 0.354,87 1.226,88 28.541,89 10.639,90 39.902,91 11.561,92 0.307,93 1.131,94 22.842,95 9.344,96 38.897,97 10.202,98 0.461,99 1.024,100 22.171,101 9.121,102 62.569,103 9.759,104 17,105 43,106 0.29,107 0.662,108 0.787,109 0.867,110 0.875,111 0.875,112 3.341,113 0.97,114 -5.17,115 -5.07,116 -4.74,120 48.8,121 1,122 1,128 1,136 1,137 1,139 2,143 8,144 1,145 3,157 1,159 1,174 7,176 1,177 7,182 2,185 15,189 3,197 11,200 2,201 7,204 3,206 2,209 14,214 2,222 10,227 9,232 3,235 16,240 8,245 4,247 10,252 7,257 3,260 10,271 6,274 1044,275 18.102,276 18.102,277 18.102,278 18.102,279 18.102,280 15.741,281 19.806,282 10.543,283 18.606,284 14.82,285 14.82,286 14.82,287 14.82,288 14.82,289 11.292,290 21.152,291 5.04,292 15.732,293 3.744,294 1.582,295 0.855,296 0.39,297 0.343,298 0.343,299 4.037,303 1,306 1,307 1,308 538,309 2.236,313 207.978,314 67.34,318 115.325,320 1.169,321 30.334,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 57.833,333 248,334 4.538,335 4.628,336 6.746,337 4.146,338 3.178,339 4.063,340 3.272,341 10.958,342 3.074,343 4.25,344 3.77,345 6.268,346 3.868,347 2.928,348 3.806,349 1.727,350 9.496,351 2.746,352 4.076,353 3.367,354 6.021,355 3.679,356 2.711,357 3.659,358 0.986,359 8.651,360 2.612,361 3.699,362 3.037,363 5.305,364 3.262,365 2.328,366 2.966,367 0.636,368 6.691,369 2.171,370 3.572,371 2.906,372 5.044,373 3.142,374 2.247,375 2.844,377 6.093,378 1.945,379 3.301,380 2.731,381 4.879,382 2.848,383 1.879,384 2.448,386 5.225,387 1.796,388 3.206,389 2.424,390 4.8,391 2.732,392 1.79,393 2.29,395 5.146,396 1.66,397 2.94,398 2.174,399 4.505,400 2.51,401 1.595,402 2.1,404 4.525,405 1.422,406 2.822,407 1.843,408 3.99,409 2.393,410 1.405,411 1.923,413 3.057,414 1.383,415 2.5,416 1.483,417 3.622,418 2.058,419 1.109,420 1.5,422 2.97,423 1.024,424 2.472,425 1,426 3.414,427 2,428 1,429 1.441,431 2.275,432 1,433 1.535,434 0.927,435 3.104,436 1.189,437 0.237,438 0.278,440 0.618,441 0.219,442 1.245,443 0.71,444 2.862,445 0.873,446 -0.055,447 -0.064,449 -0.136,450 -0.045,451 1.109,452 0.629,453 2.724,454 0.706,455 -0.185,456 -0.227,458 -0.536,459 -0.162,460 1.045,461 0.503,462 2.653,463 0.587,464 -0.347,465 -0.408,467 -0.837,468 -0.267,469 13.448,470 0.498,471 0.75,472 0.028,473 35.75,474 1.324,475 19,476 0.704,477 16.75,478 0.62,479 23.604,480 0.874,481 27.352,482 0.636,483 26.561,484 0.984,485 6.911,486 0.256,487 6.097,488 0.226,489 0.14,491 0.372,496 0.739,497 0.933,498 0.606,499 0.77,500 0.716,501 0.759,502 0.601,503 1.079,504 0.759,505 0.946,506 0.504,507 0.877,508 1.071,509 1.111,510 1.152,511 1.101,512 0.877,513 0.971,514 0.623,515 1.096,516 1.079,517 1.172,518 0.688,519 1.092,520 1.386,521 0.904,522 0.958,523 0.889,524 1.65,525 0.952,526 0.876,527 1.037,528 0.656,529 0.963,530 0.936,531 0.896,532 1.125,533 1.066,534 0.983,535 1.055,536 1.036,537 1.07,538 1.461,539 0.955,540 0.852,541 0.857,542 1.513,543 1.016,544 6,545 0.058,546 3.111,547 2.25,548 1.539,549 1.198,550 0.821,551 0.484,552 0.422,553 0.234,554 7839,555 25461,556 2.097,557 37.2,559 10,562 1,563 2,564 3,567 1.71,568 1.952,569 3.12,570 -0.346,572 1,575 72.336,576 1.682,577 3.844,578 4.571,579 5.037,580 5.083,581 5.083,582 2.495,583 4.236,584 4.727,585 3.259,586 1143.82,587 8.256,588 14117.1,590 1,592 1,593 233.329,594 1.447,595 4.681,596 0.2,597 0.006,598 0.072,599 0.047,600 0.035,601 0.029,602 0.018,603 0.012,604 0.014,605 0.015,606 0.448,607 0.33,608 1,609 0.584,610 130.191,611 -0.06,612 0.02,613 0.022,614 0.063,615 -0.097,616 0.05,617 0.124,618 -0.091,619 0.054,621 0.112,622 0.003,623 -0.15,624 -0.057,625 -0.111,626 -0.044,627 -0.097,628 -0.049,629 0.268,630 -0.049,631 -0.114,632 -0.145,633 0.27,634 -0.144,635 -0.278,636 0.107,637 -0.152,638 0.08,639 -0.329,640 -0.019,641 0.042,642 -0.057,643 0.217,644 -0.005,645 0.003,646 0.072,647 -0.125,648 -0.092,649 -0.135,650 -0.159,651 -0.027,652 -0.139,653 -0.163,654 -0.039,655 0.016,656 0.039,657 -0.139,658 -0.039,659 2.245,660 5.44,661 0.852,662 20.84,663 1.013,664 1.1,665 3.943,666 15.547,667 0.743,668 3.434,669 3.784,670 4.06,671 4.357,672 4.605,673 4.779,674 4.875,675 5.075,676 5.215,677 5.278,678 5.471,679 0.707,680 397.9,681 3.434,682 4.99,683 5.849,684 6.742,685 7.616,686 8.515,687 9.396,688 10.297,689 11.182,690 12.085,691 2.3,700 1,709 8,714 4,716 12,737 1,738 43,739 16,740 2,741 30,743 46,744 21,745 12,746 4,747 8,748 6,752 4,753 5,754 1,759 1,763 2,766 2,768 18,769 3,772 4,778 1,780 1,781 1,782 5,786 1,789 16,790 4,791 1,792 6,793 2,797 1,803 0.75,804 3,823 3,824 1,828 1,834 1,841 1,845 3,846 1,853 1,855 3,856 1,857 1,859 1,860 1,862 27,868 1,869 1,872 1,873 1,874 1,885 1,886 7,888 1,889 1,891 1,893 13.833,894 8.126,895 5.806,896 2.505,898 3.344,899 1.439,900 0.978,901 5.024,902 10.963,903 3.714,904 4.317,905 4.86,906 5.415,907 5.908,908 6.182,909 6.491,910 6.955,911 7.369,912 7.727,913 1,914 48,915 10.005,917 4.382,918 7.844,919 18.855,921 15.765,924 2.344,925 63.278,928 1,929 176.567,930 158.236,931 16.786,932 39.149,933 78.828,935 32.22,936 126.017,937 294.543,938 16.786,939 8.825,940 2.535,941 85.286,942 83.02,943 41.965,945 208.786,946 39.149,947 176.567,948 142.802,949 78.828,950 71.368,952 141.253,953 114.141,956 28.145,957 99.937,958 53.868,959 32.22,960 176.567,961 95.614,962 197.385,965 176.567,966 64.125,967 94.111,969 134.762,970 176.567,971 95.614,972 197.385,973 0.59,974 0.342,975 0.19,976 0.104,977 22,978 10,979 0.043,980 2,981 1,982 1.087,983 3.716,984 246.058,985 0.087,986 23,987 124.382,989 1,993 18.206,994 7.451,995 3.778,997 95.614,998 15.424,1003 3.532,1005 42.683,1006 469.565,1007 40,1013 12.44,1015 1.445,1016 4.704,1017 0.308,1020 43.553,1021 47.312,1022 0.31,1023 0.708,1024 0.842,1025 0.928,1026 0.937,1027 0.937,1028 4.97,1029 1.595,1030 5.849,1031 5.146,1032 4.466,1033 5.004,1034 3.438,1035 6.676,1036 4.352,1037 6.193,1038 1.405,1039 7.418,1040 4.525,1041 4.111,1042 4.796,1044 7.585,1045 3.911,1046 7.512,1047 1.109,1048 9.083,1049 3.057,1050 6.075,1051 7.161,1052 5.523,1053 10.698,1054 5.867,1055 8.86,1056 1,1057 10.805,1058 2.97,1059 6.494,1060 7.705,1062 12.431,1063 6.216,1064 10.236,1065 0.237,1066 12.563,1067 2.275,1068 7.956,1069 9.571,1070 7.829,1071 15.063,1072 7.669,1073 11.631,1074 -0.055,1075 14.348,1076 0.618,1077 8.744,1078 10.488,1080 17.152,1081 8.401,1082 13.043,1083 -0.185,1084 16.153,1085 -0.136,1086 10.001,1087 12.123,1088 10.183,1089 19.612,1090 9.642,1091 3.178,1092 -0.347,1093 17.973,1094 -0.536,1095 10.968,1096 13.242,1098 21.859,1099 10.563,1100 2.928,1101 10.958,1102 19.805,1103 -0.837,1104 12.142,1105 14.757,1106 12.55,1107 24.257,1108 11.714,1109 2.711,1110 9.496,1111 21.647,1112 4.063,1113 13.194,1114 15.987,1116 26.574,1117 12.726,1118 2.328,1119 8.651,1120 23.498,1121 3.806,1122 14.337,1123 17.439,1124 14.92,1125 28.954,1126 13.842,1127 2.247,1128 6.691,1129 25.355,1130 3.659,1131 15.431,1132 18.732,1134 31.303,1135 14.899,1136 1.879,1137 6.093,1138 27.218,1139 2.966,1140 16.564,1141 20.15,1142 17.291,1143 33.679,1144 16.004,1145 1.79,1146 5.225,1147 29.086,1148 2.844,1149 17.679,1150 21.48,1152 36.045,1153 17.084,1154 7507,1155 13651,1156 19.997,1157 31.966,1158 45.822,1159 48.53,1160 46.598,1161 45.093,1162 44.818,1163 58.635,1164 13.243,1165 131.411,1166 42.104,1167 5.485,1168 6.628,1169 6.43,1170 5.277,1171 5.178,1172 7.063,1173 6.545,1174 17.867,1175 5.074,1176 13.203,1177 1.527,1178 1.618,1179 1.553,1180 1.503,1181 1.494,1182 1.954,1183 0.441,1184 4.38,1185 1.403,1186 4.017,1187 4.035,1188 4.126,1189 3.976,1190 7.433,1191 3.954,1192 3.867,1193 3.887,1194 3.946,1195 3.812,1196 6.467,1197 3.805,1198 3.817,1199 3.826,1200 3.815,1201 3.716,1202 4.945,1203 3.727,1204 3.476,1205 3.523,1206 3.551,1207 3.387,1208 4.831,1209 3.364,1210 3.223,1211 3.266,1212 3.284,1213 3.135,1214 4.629,1215 3.1,1216 2.994,1217 3.036,1218 3.192,1219 2.833,1220 4.375,1221 2.833,1222 2.927,1223 2.925,1224 2.983,1225 2.777,1226 4.293,1227 2.73,1228 2.854,1229 2.909,1230 2.848,1231 2.735,1232 3.731,1233 2.715,1234 0.151,1235 0.154,1236 0.225,1237 0.138,1238 0.106,1239 4.538,1240 0.135,1241 4.628,1242 0.109,1243 6.746,1244 0.365,1245 4.146,1246 0.102,1247 3.178,1248 4.063,1249 3.272,1250 10.958,1251 3.074,1252 1.923,1253 1.905,1254 2.007,1255 2.002,1256 1.259,1257 2.006,1258 1.889,1259 1.868,1260 1.973,1261 1.967,1262 1.078,1263 1.981,1264 1.775,1265 1.765,1266 1.876,1267 1.897,1268 0.984,1269 1.893,1270 1.487,1271 1.447,1272 1.677,1273 1.63,1274 0.869,1275 1.657,1276 1.207,1277 1.168,1278 1.427,1279 1.394,1280 0.562,1281 1.417,1282 0.973,1283 0.93,1284 1.181,1285 1.147,1286 0.282,1287 1.162,1288 0.886,1289 0.821,1290 1.145,1291 1.108,1292 0.218,1293 1.107,1294 0.857,1295 0.803,1296 1.091,1297 1.062,1298 0.194,1299 1.061,1300 4.111,1302 5.451,1304 6.98,1305 2.708,1306 8.597,1307 5.293,1308 10.259,1310 1.626,1311 6.028,1314 10.392,1315 0.475,1318 5.207,1319 1.678,1320 0.018,1326 30.395,1327 72.336,1328 165.29,1329 196.574,1330 216.574,1331 218.574,1332 218.574,1333 50.51,1334 7.619,1335 62.8,1336 88.1,1337 25,1338 12.609,1339 4.087,1340 3.459,1341 39.769,1342 88,1343 99,1344 0.224,1345 191.609,1346 345.31,1347 459.286,1348 20290,1349 2.3,1350 18.966,1351 0.702,1352 0.594,1353 19.819,1354 16.05,1355 13.008,1356 0.434,1357 0.323,1358 8.474,1359 11.919,1360 8.139,1361 6.694,1362 13.705,1363 9.696,1364 12.16,1365 0.283,1366 0.185,1367 13.211,1368 7.974,1369 10.017,1370 0.176,1371 0.104,1372 11.127,1373 5.927,1374 8.89,1375 0.115,1376 0.058,1377 9.955,1378 4.452,1379 6.894,1380 0.07,1381 0.034,1382 8.038,1383 3.344,1384 0.337,1385 87.686,1386 0.224,1387 25.166,1388 0.662,1389 146,1390 442.33,1391 197.832,1392 478.566,1393 642.72,1394 446,1395 173,1396 435.019,1397 216.393,1398 463.057,1399 681.61,1400 437,1401 4.678}
{0 CHEMBL1345717,1 1.808,2 11.538,3 5.295,4 28.04,5 107.153,6 8.687,7 0.393,8 3.91,9 4.02,10 3.645,11 3.496,12 5.053,13 3.453,14 4.414,15 4.571,16 4.033,17 3.852,18 5.55,19 3.792,20 4.566,21 4.737,22 4.073,23 3.938,24 5.676,25 3.871,26 4.645,27 4.827,28 4.105,29 3.925,30 5.851,31 3.855,32 4.671,33 4.851,34 3.957,35 3.933,36 5.798,37 3.811,38 4.58,39 4.802,40 3.964,41 3.866,42 5.615,43 3.71,44 4.556,45 4.809,46 3.678,47 3.662,48 5.566,49 3.513,50 4.263,51 4.538,52 3.34,53 3.434,54 5.124,55 3.294,56 0.085,57 0.673,58 7.852,59 4.112,60 7.866,61 4.856,62 0.306,63 1.051,64 19.434,65 7.249,66 25.746,67 8.721,68 0.352,69 1.194,70 22.937,71 7.854,72 27.372,73 9.304,74 0.468,75 1.256,76 23.511,77 8.034,78 41.288,79 9.64,80 0.603,81 1.231,82 30.202,83 9.629,84 69.854,85 9.917,86 0.433,87 1.187,88 30.614,89 9.293,90 39.53,91 10.976,92 0.538,93 1.051,94 30.319,95 8.74,96 49.447,97 10.612,98 0.255,99 0.774,100 20.809,101 6.396,102 25.612,103 8.655,104 29,105 39,106 0.312,107 0.679,108 0.824,109 0.878,110 0.878,111 0.878,112 3.304,113 1.02,114 -4.72,115 -4.63,116 -4.35,120 40,121 3,126 2,143 4,144 2,145 2,153 2,158 1,159 1,160 1,167 1,174 4,176 1,177 4,180 1,182 6,185 7,189 4,192 2,194 2,197 3,201 10,204 3,206 3,209 6,214 6,222 4,226 2,227 4,231 1,232 2,235 5,239 2,240 4,245 2,252 1,257 3,260 2,264 1,267 2,269 1,271 6,274 1004,275 17.37,276 17.37,277 17.37,278 17.37,279 17.37,280 15.321,281 20.843,282 10.26,283 18.088,284 13.761,285 13.761,286 13.761,287 13.761,288 13.761,289 10.648,290 24.742,291 4.779,292 14.867,293 3.684,294 1.558,295 0.717,296 0.406,297 0.406,298 0.406,299 3.981,303 1,306 1,307 1,308 631,309 3.162,312 80.009,313 185.994,320 1.923,321 25.313,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56.333,333 300,334 4.624,335 4.531,336 6.902,337 4.242,338 3.261,339 4.346,340 3.83,341 11.45,342 3.196,343 4.118,344 3.732,345 6.131,346 3.691,347 2.765,348 3.672,349 1.674,350 8.811,351 2.572,352 3.997,353 3.287,354 5.639,355 3.585,356 2.626,357 3.4,358 1.218,359 7.854,360 2.502,361 3.703,362 3.001,363 5.234,364 3.219,365 2.334,366 2.979,367 0.327,368 6.604,369 2.035,370 3.35,371 2.899,372 4.937,373 2.922,374 1.988,375 2.545,377 5.434,378 1.829,379 3.207,380 2.537,381 4.859,382 2.758,383 1.84,384 2.411,386 5.077,387 1.67,388 3.028,389 2.292,390 4.653,391 2.616,392 1.665,393 2.158,395 4.794,396 1.527,397 2.663,398 2.046,399 4.153,400 2.174,401 1.215,402 1.736,404 3.175,405 1.145,406 2.519,407 1.812,408 3.481,409 2.1,410 1.167,411 1.477,413 2.592,414 1.075,415 2.153,416 1.392,417 3.414,418 1.866,419 1,420 1.087,422 2.275,423 0.845,424 2.069,425 1.278,426 3.111,427 1.784,428 0.814,429 0.958,431 1.446,432 0.775,433 1.313,434 0.855,435 2.912,436 1.02,437 0.102,438 0.116,440 0.269,441 0.093,442 1,443 0.509,444 2.56,445 0.763,446 -0.219,447 -0.24,449 -0.478,450 -0.211,451 0.906,452 0.417,453 2.31,454 0.453,455 -0.402,456 -0.499,458 -0.89,459 -0.258,460 0.687,461 0.206,462 2,463 0.388,464 -0.552,465 -0.636,467 -1.011,468 -0.485,469 12.814,470 0.493,471 0.682,472 0.026,473 31.5,474 1.212,475 15,476 0.577,477 16.5,478 0.635,479 24.319,480 0.935,481 27.986,482 0.622,483 21.7,484 0.835,485 6.086,486 0.234,487 6.405,488 0.246,489 0.199,491 0.351,496 0.737,497 1.151,498 0.638,499 0.888,500 0.612,501 0.872,502 0.714,503 1.228,504 0.76,505 1.01,506 0.517,507 0.845,508 1.128,509 1.111,510 0.968,511 0.969,512 0.929,513 0.944,514 1.115,515 1.15,516 0.868,517 1.001,518 1.241,519 1.031,520 1.876,521 1.048,522 1.299,523 1.023,524 2.224,525 1.043,526 0.631,527 1.082,528 0.967,529 1.134,530 0.57,531 1.075,532 0.87,533 0.975,534 0.972,535 1.081,536 0.913,537 0.99,538 0.692,539 0.823,540 0.754,541 0.724,542 0.545,543 0.791,544 5.5,545 0.16,546 2.889,547 2.667,548 1.504,549 0.907,550 0.525,551 0.317,552 0.216,553 0.179,554 8029,555 25584,556 2.014,557 42.2,558 3,559 8,562 2,563 3,564 3,567 1.687,568 1.857,569 3.473,570 0.327,575 81.364,576 1.808,577 3.934,578 4.775,579 5.086,580 5.086,581 5.086,582 2.988,583 4.47,584 4.668,585 3.653,586 1187.34,587 8.071,588 15068.6,593 247.133,594 1.502,595 4.615,596 0.196,597 0.009,598 0.074,599 0.067,600 0.04,601 0.028,602 0.018,603 0.014,604 0.011,605 0.009,606 0.467,607 0.17,608 1,609 1.181,610 128.572,611 -0.019,612 0.005,613 0.035,614 0.028,615 -0.054,616 0.021,617 0.163,618 -0.159,619 0.119,620 0.008,621 0.167,622 0.108,623 -0.125,624 -0.035,625 -0.06,626 -0.033,627 -0.095,628 -0.032,629 0.001,630 -0.083,631 -0.018,632 -0.1,633 0.017,634 -0.139,635 -0.461,636 -0.029,637 -0.25,638 0.05,639 -0.464,640 -0.111,641 0.13,642 -0.013,643 0.05,644 -0.051,645 0.109,646 -0.083,647 0.098,648 -0.008,649 0.033,650 -0.052,651 0.046,652 0.015,653 0.022,654 0.069,655 0.151,656 0.17,657 0.072,658 0.241,659 1.985,660 5.13,661 0.654,662 26.71,663 1.012,664 1.124,665 3.488,666 12.164,667 0.701,668 3.367,669 3.689,670 3.951,671 4.22,672 4.344,673 4.382,674 4.454,675 4.543,676 4.635,677 4.673,678 6.733,679 0.661,680 390.93,681 3.367,682 4.905,683 5.753,684 6.635,685 7.499,686 8.389,687 9.262,688 10.155,689 11.034,690 11.929,691 8.9,696 1,699 1,700 2,709 4,711 1,714 6,716 11,719 1,726 1,729 1,737 1,738 45,739 14,740 1,741 28,743 47,744 18,745 10,746 2,747 4,748 3,752 3,753 3,754 1,759 3,768 13,769 5,772 3,778 1,781 2,782 3,789 19,790 5,791 2,792 8,793 2,797 4,803 1,804 2,818 1,822 1,823 2,855 3,856 1,857 1,859 3,860 1,862 26,869 2,871 1,872 1,873 1,885 1,886 4.4,889 1,891 1,893 14,894 9.126,895 5.806,896 2.71,898 2.799,899 1.391,900 0.973,901 6.067,902 9.951,903 3.624,904 4.216,905 4.759,906 5.319,907 5.688,908 5.9,909 6.156,910 6.477,911 6.807,912 7.087,913 0.875,914 40,915 9.572,917 3.974,918 7.786,919 18.118,921 14.384,924 2.286,925 59.444,929 200.109,930 130.875,931 68.122,932 39.149,933 36.145,935 32.22,936 98.656,937 275.402,938 68.122,939 26.476,940 5.492,941 37.905,942 53.104,943 73.74,944 6.207,945 232.328,946 39.149,947 200.109,948 166.778,949 36.145,950 71.368,952 164.795,953 71.458,956 82.079,957 66.688,958 57.159,959 32.22,960 200.109,961 104.267,962 170.024,965 200.109,966 66.495,967 64.381,968 34.796,969 108.619,970 200.109,971 104.267,972 170.024,973 0.578,974 0.341,975 0.19,976 0.095,977 18,978 9,979 0.128,980 6,982 1,983 3.767,984 211.688,986 17,987 122.211,989 1,993 19.021,994 8.293,995 4.336,997 87.482,998 7.429,1000 3.242,1003 4.519,1005 34.796,1006 474.4,1007 36.5,1013 12.13,1016 8.576,1017 1.172,1020 45.531,1021 50.598,1022 0.329,1023 0.716,1024 0.869,1025 0.926,1026 0.926,1027 0.926,1028 4.866,1029 1.215,1030 5.746,1031 4.794,1032 4.369,1033 4.902,1034 3.636,1035 6.567,1036 4.236,1037 6.085,1038 1.167,1039 7.314,1040 3.175,1041 4.007,1042 4.771,1043 1.998,1044 7.496,1045 3.832,1046 7.403,1047 1,1048 8.982,1049 2.592,1050 5.969,1051 7.082,1052 6.044,1053 10.615,1054 5.749,1055 8.757,1056 0.814,1057 10.71,1058 2.275,1059 6.415,1060 7.755,1061 4.939,1062 12.406,1063 6.185,1064 10.141,1065 0.102,1066 12.478,1067 1.446,1068 7.87,1069 9.564,1070 8.656,1071 15.06,1072 7.602,1073 11.549,1074 -0.219,1075 14.274,1076 0.269,1077 8.696,1078 10.624,1079 7.909,1080 17.222,1081 8.43,1082 12.974,1083 -0.402,1084 16.094,1085 -0.478,1086 9.955,1087 12.226,1088 11.304,1089 19.723,1090 9.661,1091 3.261,1092 -0.552,1093 17.932,1094 -0.89,1095 10.961,1096 13.482,1097 10.81,1098 22.042,1099 10.669,1100 2.765,1101 11.45,1102 19.784,1103 -1.011,1104 12.149,1105 14.996,1106 13.958,1107 24.494,1108 11.838,1109 2.626,1110 8.811,1111 21.65,1112 4.346,1113 13.24,1114 16.352,1115 13.663,1116 26.879,1117 12.925,1118 2.334,1119 7.854,1120 23.525,1121 3.672,1122 14.406,1123 17.83,1124 16.614,1125 29.317,1126 14.077,1127 1.988,1128 6.604,1129 25.41,1130 3.4,1131 15.537,1132 19.237,1133 16.482,1134 31.731,1135 15.201,1136 1.84,1137 5.434,1138 27.301,1139 2.979,1140 16.7,1141 20.702,1142 19.272,1143 34.166,1144 16.35,1145 1.665,1146 5.077,1147 29.198,1148 2.545,1149 17.852,1150 22.136,1151 19.278,1152 36.592,1153 17.492,1154 7915,1155 14282,1156 18.205,1157 31.529,1158 42.201,1159 45.421,1160 43.996,1161 41.664,1162 41.554,1163 53.768,1164 14.098,1165 119.559,1166 38.529,1167 5.549,1168 6.531,1169 6.671,1170 5.403,1171 5.261,1172 7.346,1173 7.524,1174 18.833,1175 5.196,1176 14.75,1177 1.507,1178 1.622,1179 1.571,1180 1.488,1181 1.484,1182 1.92,1183 0.504,1184 4.27,1185 1.376,1186 4.044,1187 4.08,1188 4.085,1189 3.932,1190 7.433,1191 3.942,1192 3.904,1193 3.933,1194 3.979,1195 3.838,1196 5,1197 3.833,1198 3.628,1199 3.668,1200 3.861,1201 3.53,1202 4.909,1203 3.486,1204 3.508,1205 3.567,1206 3.393,1207 3.283,1208 4.695,1209 3.282,1210 3.203,1211 3.298,1212 3.326,1213 3.035,1214 4.439,1215 3.014,1216 3.135,1217 3.193,1218 3.05,1219 2.931,1220 4.353,1221 2.938,1222 3.05,1223 3.088,1224 2.973,1225 2.799,1226 3.966,1227 2.813,1228 2.878,1229 2.955,1230 2.896,1231 2.773,1232 3.868,1233 2.762,1234 0.165,1235 0.162,1236 0.246,1237 0.151,1238 0.116,1239 4.624,1240 0.155,1241 4.531,1242 0.137,1243 6.902,1244 0.409,1245 4.242,1246 0.114,1247 3.261,1248 4.346,1249 3.83,1250 11.45,1251 3.196,1252 1.883,1253 1.858,1254 1.97,1255 1.98,1256 1.07,1257 1.985,1258 1.735,1259 1.711,1260 1.852,1261 1.874,1262 1.037,1263 1.869,1264 1.659,1265 1.62,1266 1.804,1267 1.852,1268 0.952,1269 1.843,1270 1.461,1271 1.388,1272 1.778,1273 1.697,1274 0.915,1275 1.727,1276 1.389,1277 1.333,1278 1.564,1279 1.591,1280 0.75,1281 1.607,1282 1.047,1283 0.974,1284 1.259,1285 1.297,1286 0.312,1287 1.306,1288 0.943,1289 0.899,1290 1.199,1291 1.271,1292 0.243,1293 1.246,1294 0.868,1295 0.824,1296 1.145,1297 1.133,1298 0.226,1299 1.162,1300 4.043,1302 5.361,1303 2.398,1304 6.87,1305 4.844,1306 8.466,1307 7.018,1308 10.106,1310 5.539,1311 5.992,1315 0.979,1317 3.197,1318 5.131,1319 1.538,1326 29.744,1327 81.364,1328 177.028,1329 214.869,1330 228.869,1331 228.869,1332 228.869,1333 45.696,1334 7.152,1335 78.84,1336 104.14,1337 17,1338 12.458,1339 3.907,1340 3.248,1341 44.584,1342 105,1343 101,1344 0.21,1345 192.467,1346 335.26,1347 461.379,1348 11616,1349 2.2,1350 18.681,1351 0.719,1352 0.627,1353 19.535,1354 16.293,1355 12.49,1356 0.446,1357 0.34,1358 8.165,1359 11.262,1360 7.74,1361 6.458,1362 13.233,1363 9.522,1364 11.234,1365 0.288,1366 0.183,1367 12.219,1368 7.122,1369 9.193,1370 0.18,1371 0.098,1372 10.114,1373 4.999,1374 8.051,1375 0.12,1376 0.055,1377 9.031,1378 3.676,1379 5.66,1380 0.074,1381 0.031,1382 6.585,1383 2.366,1384 0.334,1385 85.869,1386 0.234,1387 25.357,1388 0.564,1389 134,1390 426.491,1391 186.386,1392 460.522,1393 617.78,1394 430,1395 157,1396 419.98,1397 198.97,1398 445.123,1399 650.4,1400 417,1401 4.596}
{0 CHEMBL1345979,1 1.52,2 4.1,3 2.104,4 4.425,5 44.453,6 8.778,7 0.545,8 2.948,9 3.038,10 2.69,11 2.695,12 4.044,13 2.61,14 3.399,15 3.53,16 3.063,17 3.028,18 4.478,19 2.937,20 3.547,21 3.741,22 2.874,23 3.021,24 4.538,25 2.845,26 3.332,27 3.581,28 2.478,29 2.681,30 4.198,31 2.454,32 2.851,33 3.108,34 2.016,35 2.217,36 3.718,37 1.855,38 2.135,39 2.44,40 0.498,41 1.28,42 2.737,43 0.888,44 1.02,45 1.365,46 0.014,47 0.255,48 1.099,49 0.13,56 0.012,57 0.216,58 3.634,59 1.616,60 2.702,61 1.946,62 0.03,63 0.356,64 5.123,65 2.327,66 5.457,67 3.081,68 0.061,69 0.45,70 9.113,71 3.476,72 9.766,73 3.936,74 0.041,75 0.347,76 6.889,77 2.871,78 7.569,79 3.615,80 0.033,81 0.23,82 7.144,83 2.509,84 7.095,85 2.603,86 0.019,87 0.109,88 4.53,89 1.435,90 4.065,91 1.428,92 0.005,93 0.024,94 0.837,95 0.289,96 0.796,97 0.37,104 2,105 15,106 0.341,107 0.679,108 0.758,109 0.864,110 0.89,111 0.89,112 2.449,113 0.996,114 -2.94,115 -2.94,116 -2.84,120 47.1,122 1,143 4,144 1,145 1,159 1,174 5,177 3,185 5,189 2,197 4,201 1,209 1,274 46,275 6.793,276 6.793,277 6.793,278 6.793,279 6.793,280 5.781,281 7.786,282 4.098,283 6.923,284 5.454,285 5.454,286 5.454,287 5.454,288 5.454,289 4.007,290 10.106,291 1.968,292 5.688,293 2.568,294 1.059,295 0.706,296 0.235,297 0.118,298 0.118,299 3.065,307 1,308 87,309 1.225,312 14.918,313 18.857,316 28.516,320 0.54,321 4.649,324 1,325 0.67,326 0.83,327 0.5,328 0.5,329 1,330 1,331 0.79,332 20.5,333 41,334 4.331,335 4.046,336 6.224,337 3.933,338 2.964,339 3.94,340 2.674,341 9.378,342 2.874,343 3.454,344 2.897,345 4.812,346 2.916,347 2,348 2.723,349 0.366,350 5.352,351 1.815,352 2.893,353 1.822,354 4.414,355 2.513,356 1.532,357 2.031,359 4.312,360 1.5,361 2.807,362 1.525,363 3.591,364 2.333,365 1.354,366 1.922,368 2.917,369 1.316,370 1.659,371 0.894,372 3,373 1.321,374 0.347,375 0.436,377 0.86,378 0.338,379 0.707,380 0.636,381 2,382 0.328,383 -0.57,384 -0.653,386 -1.35,387 -0.482,388 0.533,389 -0.649,390 2,391 -0.015,392 -1,393 -1.29,395 -2.384,396 -0.927,397 0.281,398 -0.726,399 1.586,400 -0.089,401 -1,402 -1.517,404 -2.625,405 -0.983,406 -0.456,407 -1.344,408 1.057,409 -0.811,410 -1.748,411 -2.054,413 -4.802,414 -1.624,415 -0.5,416 -1.492,417 1,418 -0.929,419 -1.879,420 -2.538,421 -1.14,422 -5.548,423 -1.826,424 -0.707,425 -2,426 0.317,427 -1,428 -2,429 -3,430 -1.899,431 -6.11,432 -2,469 5.233,470 0.523,471 0.226,472 0.023,473 14,474 1.4,475 8,476 0.8,477 6,478 0.6,479 5.593,480 0.559,481 9.767,482 0.575,483 5.635,484 0.563,485 2.612,486 0.261,487 2.248,488 0.225,489 0.159,491 0.287,496 0.794,497 1,498 0.868,499 0.9,500 0.899,501 0.825,502 0.69,503 1.15,504 0.593,505 0.834,506 0.636,507 0.896,508 1.484,509 1.002,510 1.118,511 1.028,512 1.299,513 1.074,514 0.962,515 0.889,516 0.754,517 0.813,518 0.796,519 1.023,520 1.05,521 0.997,522 1.64,523 1.406,524 1.335,525 1.194,526 0.805,527 1.095,528 2.018,529 1.749,530 1.531,531 1.217,544 2,546 0.889,547 0.792,548 0.257,549 0.08,554 482,555 1394,556 2.107,557 41.2,559 4,562 1,563 2,567 1.394,568 2,569 2.209,570 -0.161,575 25.835,576 1.52,577 3.029,578 3.382,579 3.852,580 3.97,581 3.97,582 1.485,583 2.246,584 3.303,585 2.109,586 94.913,587 5.333,588 576.005,590 1,593 69.487,594 1.295,595 3.266,596 0.182,598 0.059,599 0.072,600 0.043,601 0.04,606 0.396,607 1,608 1,609 0.664,610 30.597,611 -0.035,612 -0.114,613 -0.122,614 -0.116,615 -0.145,616 -0.025,617 0.195,618 -0.269,619 0.047,620 -0.122,621 0.111,622 -0.089,623 -0.328,624 -0.01,625 -0.203,626 -0.12,627 -0.285,628 -0.18,629 -0.062,630 0.023,631 0.072,632 0.07,633 0.074,634 -0.05,635 -0.123,636 0.009,637 -0.117,638 -0.049,639 -0.078,640 -0.064,641 -0.001,642 -0.114,643 -0.337,644 -0.259,645 -0.242,646 0.048,647 0.737,648 0.891,649 0.954,650 1.081,651 0.872,652 1.37,659 0.749,660 1.233,661 0.9,662 2.84,663 0.99,664 1.098,665 1.71,666 2.925,667 0.761,668 2.485,669 2.773,670 2.996,671 3.258,672 3.296,673 2.996,674 2.89,675 2.773,676 1.099,678 2.65,679 0.693,680 149.23,681 2.485,682 3.97,683 4.796,684 5.659,685 6.506,686 7.372,687 8.225,688 9.09,689 9.946,690 10.809,691 5.9,700 1,709 4,714 2,716 6,738 17,739 7,740 1,741 11,743 18,744 8,745 6,746 2,747 4,748 1,752 2,753 3,763 1,766 1,768 7,769 1,772 1,781 1,782 1,789 7,790 1,792 2,793 1,797 1,803 0.5,822 1,823 1,826 1,855 1,857 1,862 10,869 1,870 1,893 5,894 2.983,895 2.194,896 0.963,898 1.595,899 1.314,900 1,901 1.278,902 6.67,903 2.773,904 3.35,905 3.866,906 4.453,907 4.86,908 4.808,909 5.024,910 5.197,911 3.169,913 0.667,914 11,915 3.663,916 0.02,917 1.516,918 7.572,919 7.103,920 0.007,921 5.786,922 -0.007,923 0.001,924 2.072,925 20.722,926 0.03,929 81.445,930 86.067,931 16.786,935 38.564,936 47.504,937 81.445,938 16.786,940 2.535,941 37.905,942 11.94,943 22.728,945 109.19,947 81.445,948 64.289,950 38.564,952 81.445,956 19.32,957 44.969,959 38.564,960 81.445,961 16.786,962 86.067,965 81.445,966 9.599,967 37.905,969 55.349,970 81.445,971 16.786,972 86.067,973 0.574,974 0.328,975 0.189,976 0.095,977 9,978 3,981 1,982 1.222,983 2.239,984 54.448,985 0.222,986 9,987 33.219,988 1,993 5.989,994 2.134,995 0.985,997 16.786,998 8.121,1003 2.361,1006 184.298,1007 15,1016 4.233,1017 0.918,1020 16.829,1021 18.664,1022 0.372,1023 0.741,1024 0.827,1025 0.942,1026 0.971,1027 0.971,1028 3.961,1029 -1,1030 4.762,1031 -2.384,1032 3.434,1033 4.025,1034 2.58,1035 5.525,1036 3.356,1037 5.16,1038 -1.748,1039 6.282,1040 -2.625,1041 2.944,1042 3.689,1043 2.471,1044 6.293,1045 2.784,1046 6.454,1047 -1.879,1048 7.903,1049 -4.802,1050 4.963,1051 6.166,1052 4.202,1053 9.387,1054 4.82,1055 7.785,1056 -2,1057 9.583,1058 -5.548,1059 5.303,1060 6.64,1061 4.71,1062 11.037,1063 5.094,1064 9.148,1066 11.302,1067 -6.11,1068 6.804,1069 8.587,1070 6.03,1071 13.598,1072 6.603,1073 10.533,1075 13.048,1077 7.552,1078 9.477,1079 6.787,1080 15.606,1081 7.301,1082 11.937,1084 14.815,1086 8.819,1087 11.16,1088 7.933,1089 17.971,1090 8.563,1091 2.964,1093 16.597,1095 9.757,1096 12.271,1097 8.804,1098 20.12,1099 9.458,1100 2,1101 9.378,1102 18.391,1104 10.921,1105 13.813,1106 9.868,1107 22.408,1108 10.608,1109 1.532,1110 5.352,1111 20.193,1112 3.94,1113 11.944,1114 15.043,1115 10.795,1116 24.612,1117 11.592,1118 1.354,1119 4.312,1120 22.002,1121 2.723,1122 13.063,1123 16.509,1124 11.819,1125 26.87,1126 12.69,1127 0.347,1128 2.917,1129 23.815,1130 2.031,1131 14.122,1132 17.802,1133 12.774,1134 29.095,1135 13.713,1136 -0.57,1137 0.86,1138 25.633,1139 1.922,1140 15.223,1141 19.227,1142 13.778,1143 31.341,1144 14.789,1145 -1,1146 -1.35,1147 27.452,1148 0.436,1149 16.298,1150 20.554,1151 14.747,1152 33.574,1153 15.83,1154 518,1155 924,1156 7.455,1157 12.938,1158 16.648,1159 17.522,1160 16.809,1161 16.487,1162 16.395,1163 22.103,1164 6.079,1165 45.638,1166 15.686,1167 5.038,1168 6.046,1169 5.907,1170 4.933,1171 4.964,1172 6.94,1173 4.573,1174 15.488,1175 4.874,1176 3.094,1177 1.513,1178 1.593,1179 1.528,1180 1.499,1181 1.49,1182 2.009,1183 0.553,1184 4.149,1185 1.426,1186 3.988,1187 4.018,1188 4.005,1189 3.925,1190 4.915,1191 3.919,1192 3.379,1193 3.424,1194 3.578,1195 3.32,1196 4.431,1197 3.271,1198 2.892,1199 2.958,1200 2.921,1201 2.779,1202 3.745,1203 2.759,1204 2.548,1205 2.577,1206 2.742,1207 2.606,1208 3.674,1209 2.466,1210 2.335,1211 2.457,1212 2.096,1213 2.126,1214 3.079,1215 2.065,1216 1.874,1217 1.994,1218 1.925,1219 1.662,1220 2.852,1221 1.576,1222 1.467,1223 1.684,1224 0.869,1225 1.038,1226 1.771,1227 0.957,1228 1.351,1229 1.517,1230 0.836,1231 1.019,1232 1.735,1233 0.949,1234 0.394,1235 0.368,1236 0.566,1237 0.358,1238 0.269,1239 4.331,1240 0.358,1241 4.046,1242 0.243,1243 6.224,1244 0.853,1245 3.933,1246 0.261,1247 2.964,1248 3.94,1249 2.674,1250 9.378,1251 2.874,1252 1.873,1253 1.847,1254 1.988,1255 1.947,1256 1.131,1257 1.962,1258 1.411,1259 1.373,1260 1.551,1261 1.551,1262 0.755,1263 1.577,1264 0.924,1265 0.874,1266 1.12,1267 1.093,1268 0.182,1269 1.109,1270 0.78,1271 0.723,1272 0.997,1273 0.947,1274 0.066,1275 0.998,1276 0.229,1277 0.152,1278 0.511,1279 0.433,1281 0.576,1284 0.304,1285 0.17,1287 0.264,1290 0.256,1291 0.037,1293 0.139,1300 3.135,1302 4.419,1303 2.398,1304 5.9,1305 4.727,1306 7.47,1307 6.804,1308 9.085,1315 0.902,1316 4.187,1326 11.789,1327 25.835,1328 51.487,1329 57.487,1330 65.487,1331 67.487,1332 67.487,1333 7.306,1334 5.075,1335 12.36,1336 51.16,1337 11,1338 11.358,1339 3,1340 2.322,1341 13.301,1342 17,1343 12,1344 0.472,1345 78.938,1346 130.29,1347 184.369,1348 699,1350 6.975,1351 0.697,1352 0.631,1353 7.475,1354 6.305,1355 4.86,1356 0.442,1357 0.332,1358 3.23,1359 4.533,1360 3.107,1361 2.572,1362 5.149,1363 3.652,1364 4.381,1365 0.292,1366 0.19,1367 4.789,1368 2.85,1369 3.477,1370 0.183,1371 0.097,1372 3.712,1373 1.848,1374 3.035,1375 0.121,1376 0.056,1377 3.338,1378 1.396,1379 2.233,1380 0.086,1381 0.034,1382 2.543,1383 0.881,1384 0.651,1385 32.456,1386 0.366,1387 9.675,1388 1.551,1389 52,1390 129.743,1391 67.422,1392 148.095,1393 202.03,1394 138,1395 60,1396 140.293,1397 70.35,1398 151.547,1399 219.13,1400 143,1401 6.102}
{0 CHEMBL1346262,1 1.495,2 9.636,3 3.325,4 11.058,5 91.763,6 6.672,7 0.261,8 3.95,9 4.084,10 3.414,11 3.412,12 4.873,13 3.36,14 4.549,15 4.766,16 3.733,17 3.784,18 5.383,19 3.703,20 4.767,21 5.01,22 3.855,23 3.93,24 5.598,25 3.812,26 4.792,27 5.037,28 3.853,29 3.963,30 5.604,31 3.818,32 4.891,33 5.163,34 3.609,35 3.939,36 5.665,37 3.744,38 4.753,39 5.041,40 3.468,41 3.814,42 5.454,43 3.611,44 4.604,45 4.878,46 3.332,47 3.705,48 5.336,49 3.509,50 4.55,51 4.846,52 3.364,53 3.601,54 5.253,55 3.422,56 0.035,57 0.654,58 12.108,59 4.691,60 7.105,61 6.702,62 0.239,63 1.009,64 23.528,65 7.27,66 20.417,67 10.801,68 0.505,69 1.164,70 31.415,71 9.368,72 32.917,73 13.654,74 0.286,75 1.196,76 31.516,77 10.074,78 27.344,79 14.661,80 0.518,81 1.174,82 38.404,83 10.556,84 40.267,85 15.462,86 0.361,87 1.031,88 31.323,89 9.642,90 28.071,91 13.952,92 0.259,93 0.922,94 28.159,95 8.375,96 24.681,97 12.172,98 0.333,99 0.846,100 24.998,101 7.418,102 22.517,103 11.064,104 27,105 30,106 0.261,107 0.528,108 0.803,109 0.88,110 0.88,111 0.88,112 3.146,113 1.11,114 -3.76,115 -3.72,116 -3.54,120 34.7,121 2,122 2,125 1,126 5,128 1,143 2,144 1,145 3,174 3,177 5,182 1,185 2,188 1,189 4,192 1,194 3,197 1,201 3,206 1,209 4,214 2,217 1,219 2,222 2,227 2,230 1,235 5,245 1,247 3,251 1,252 2,260 3,263 1,264 2,271 1,274 658,275 15.093,276 15.093,277 15.093,278 15.093,279 15.093,280 14.317,281 24.441,282 9.073,283 15.786,284 11.18,285 11.18,286 11.18,287 11.18,288 11.18,289 9.903,290 33.282,291 3.991,292 12.126,293 4.12,294 2.588,295 1.016,296 0.577,297 0.577,298 0.577,299 3.806,303 1,305 1,306 1,307 1,308 432,309 3.162,312 70.082,313 79.016,320 1.43,321 15.856,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 47.333,333 212,334 4.405,335 3.421,336 6.477,337 3.973,338 3.043,339 4.091,340 0.86,341 10.053,342 2.818,343 3.86,344 3.118,345 6.141,346 3.801,347 2.859,348 2.894,349 0.86,350 9.016,351 2.691,352 3.565,353 2.632,354 5.293,355 3.246,356 2.278,357 2.841,358 0.8,359 6.752,360 2.189,361 3.31,362 2.629,363 5.062,364 2.876,365 2.009,366 2.556,367 0.657,368 5.776,369 1.68,370 2.637,371 2.018,372 4.357,373 2.558,374 1.614,375 1.639,377 4.158,378 1.52,379 2.309,380 1.827,381 3.744,382 2.231,383 1.268,384 1.302,386 2.745,387 1.221,388 2.247,389 1.411,390 3.492,391 2.075,392 1.205,393 1.243,395 2.488,396 1.019,397 2.023,398 1.304,399 3.298,400 1.905,401 0.969,402 1.006,404 2.04,405 0.902,406 1.809,407 1.084,408 2.977,409 1.609,410 0.74,411 0.776,413 1.291,414 0.624,415 1.301,416 0.49,417 2.628,418 1.271,419 0.299,420 0.299,422 0.444,423 0.29,424 1.052,425 0.421,426 2.594,427 0.863,428 -0.076,429 -0.082,431 -0.144,432 -0.07,433 1,434 0.205,435 2.509,436 0.672,437 -0.252,438 -0.274,440 -0.435,441 -0.22,442 0.786,443 0.024,444 2.107,445 0.482,446 -0.335,447 -0.397,449 -0.732,450 -0.235,451 0.378,452 -0.479,453 1.705,454 0.146,455 -0.776,456 -0.85,458 -1.668,459 -0.692,460 0.037,461 -0.779,462 1.559,463 -0.1,464 -1.048,465 -1.119,467 -2.187,468 -0.983,469 10.681,470 0.485,471 0.397,472 0.018,473 21,474 0.955,475 7,476 0.318,477 14,478 0.636,479 22.599,480 1.027,481 26.519,482 0.541,483 13.22,484 0.601,485 3.991,486 0.181,487 6.699,488 0.304,489 0.207,491 0.272,496 0.861,497 1.641,498 0.77,499 1.296,500 0.793,501 1.186,502 1.295,503 1.129,504 0.819,505 0.899,506 0.927,507 0.919,508 0.958,509 0.955,510 0.876,511 0.924,512 0.76,513 0.935,514 0.762,515 1.276,516 0.832,517 1.131,518 0.685,519 1.095,520 1.178,521 0.954,522 1.292,523 1.072,524 1.31,525 1.082,526 0.887,527 0.922,528 0.991,529 0.942,530 0.941,531 0.963,532 0.944,533 1.069,534 1.252,535 1.139,536 1.184,537 1.105,538 0.761,539 0.804,540 0.792,541 0.822,542 0.882,543 0.844,544 4,545 0.085,546 2.444,547 1.694,548 1.134,549 0.601,550 0.249,551 0.172,552 0.213,553 0.182,554 4780,555 10731,556 1.969,557 55.1,559 16,562 1,564 10,567 1.643,568 1.833,569 3.239,570 -0.31,571 1,572 1,575 73.252,576 1.495,577 3.027,578 4.599,579 5.038,580 5.038,581 5.038,582 2.665,583 4.187,584 4.432,585 3.419,586 789.788,587 7.603,588 9024.9,590 1,592 1,593 275.121,594 1.435,595 4.382,596 0.174,597 0.007,598 0.081,599 0.055,600 0.039,601 0.027,602 0.012,603 0.01,604 0.012,605 0.011,606 0.428,607 0.5,608 1,609 1.245,610 102.573,611 -0.001,612 -0.266,613 0.037,614 -0.132,615 -0.002,616 -0.048,617 -0.137,618 0.036,619 0.04,620 0.09,621 0.015,622 0.076,623 0.137,624 0.119,625 0.071,626 0.06,627 0.213,628 0.05,629 0.088,630 -0.208,631 0.078,632 -0.113,633 0.185,634 -0.078,635 -0.086,636 0.004,637 -0.16,638 -0.087,639 -0.151,640 -0.112,641 -0.012,642 0.01,643 -0.011,644 0.033,645 -0.011,646 0.014,647 -0.094,648 -0.092,649 -0.149,650 -0.12,651 -0.187,652 -0.102,653 0.092,654 0.145,655 0.11,656 0.114,657 -0.011,658 0.111,659 1.068,660 2.17,661 0.5,662 18.455,663 0.993,664 1.138,665 2.527,666 6.386,667 0.626,668 3.178,669 3.434,670 3.689,671 3.892,672 3.892,673 3.892,674 3.784,675 3.807,676 3.829,677 3.951,678 5.93,679 0.574,680 326.91,681 3.178,682 4.673,683 5.501,684 6.354,685 7.198,686 8.057,687 8.905,688 9.766,689 10.614,690 11.476,691 4.1,693 1,694 1,709 2,714 4,716 6,735 2,737 1,738 49,739 6,740 1,741 23,743 50,744 17,745 6,746 4,747 2,752 2,753 2,754 1,759 2,763 3,766 3,768 6,769 11,785 1,786 1,789 27,790 4,791 1,792 5,793 1,797 2,803 1,804 2,819 1,822 1,823 1,849 1,851 1,855 2,859 3,860 1,862 22,869 7,871 1,872 2,874 1,875 1,885 1,886 4.1,891 2,893 12,894 9.426,895 5.25,896 3.302,898 1.162,899 1.182,900 0.916,901 7.117,902 7.548,903 3.296,904 3.75,905 4.223,906 4.674,907 5.024,908 5.127,909 5.053,910 5.054,911 5.038,912 5.255,913 1,914 31,915 8.151,917 3.23,918 7.505,919 16.117,921 12.75,924 2.005,925 44.111,926 0.001,928 1,929 306.049,930 82.743,931 21.135,932 39.149,933 22,936 82.743,937 367.197,938 21.135,939 28.533,940 18.084,941 36.963,943 42.297,945 306.049,946 39.149,947 306.049,948 103.878,949 22,950 39.149,952 188.338,953 139.711,956 56.87,957 47.009,958 39.149,960 306.049,961 43.135,962 121.892,965 306.049,966 35.257,967 50.61,968 18.011,969 61.148,970 306.049,971 43.135,972 121.892,973 0.553,974 0.344,975 0.195,976 0.088,977 12,978 6,979 0.16,980 8,982 1,983 3.416,984 157.44,986 11,987 98.107,993 17.701,994 8.846,995 4.672,997 43.135,998 3.954,1003 3.044,1005 18.011,1006 471.075,1007 26,1020 48.669,1021 55.757,1022 0.266,1023 0.539,1024 0.819,1025 0.897,1026 0.897,1027 0.897,1028 4.516,1029 0.969,1030 5.46,1031 2.488,1032 4.111,1033 4.431,1034 1.755,1035 6.24,1036 3.96,1037 5.65,1038 0.74,1039 7.002,1040 2.04,1041 3.611,1042 4.205,1043 0.325,1044 7.125,1045 3.359,1046 6.926,1047 0.299,1048 8.649,1049 1.291,1050 5.666,1051 6.476,1052 1.392,1053 10.192,1054 5.39,1055 8.242,1056 -0.076,1057 10.357,1058 0.444,1059 6.043,1060 7.116,1061 0.268,1062 11.905,1063 5.66,1064 9.597,1065 -0.252,1066 12.105,1067 -0.144,1068 7.516,1069 8.885,1070 1.115,1071 14.469,1072 7.111,1073 10.974,1074 -0.335,1075 13.878,1076 -0.435,1077 8.288,1078 9.911,1079 0.188,1080 16.509,1081 7.777,1082 12.371,1083 -0.776,1084 15.669,1085 -0.732,1086 9.531,1087 11.49,1088 0.89,1089 18.902,1090 8.987,1091 3.043,1092 -1.048,1093 17.474,1094 -1.668,1095 10.482,1096 12.703,1097 0.125,1098 21.079,1099 9.837,1100 2.859,1101 10.053,1102 19.288,1103 -2.187,1104 11.634,1105 14.199,1106 0.705,1107 23.409,1108 10.942,1109 2.278,1110 9.016,1111 21.11,1112 4.091,1113 12.664,1114 15.506,1115 0.082,1116 25.646,1117 11.879,1118 2.009,1119 6.752,1120 22.937,1121 2.894,1122 13.78,1123 16.961,1124 0.552,1125 27.952,1126 12.938,1127 1.614,1128 5.776,1129 24.77,1130 2.841,1131 14.845,1132 18.317,1133 0.054,1134 30.218,1135 13.917,1136 1.268,1137 4.158,1138 26.606,1139 2.556,1140 15.948,1141 19.751,1142 0.428,1143 32.515,1144 14.955,1145 1.205,1146 2.745,1147 28.446,1148 1.639,1149 17.031,1150 21.132,1151 0.035,1152 34.795,1153 15.955,1154 4896,1155 7501,1156 14.909,1157 30.677,1158 32.327,1159 33.362,1160 34.767,1161 32.744,1162 32.57,1163 37.294,1164 6.355,1165 89.526,1166 29.907,1167 5.366,1168 5.421,1169 6.24,1170 5.011,1171 5.043,1172 7.091,1173 1.72,1174 16.94,1175 4.818,1176 11.936,1177 1.406,1178 1.451,1179 1.512,1180 1.424,1181 1.416,1182 1.621,1183 0.276,1184 3.892,1185 1.3,1186 3.969,1187 4.006,1188 4.034,1189 3.878,1190 5.014,1191 3.88,1192 3.874,1193 3.917,1194 3.775,1195 3.726,1196 4.58,1197 3.726,1198 3.495,1199 3.568,1200 3.439,1201 3.279,1202 4.467,1203 3.277,1204 3.42,1205 3.5,1206 3.334,1207 3.221,1208 4.415,1209 3.207,1210 3.363,1211 3.449,1212 3.152,1213 3.174,1214 4.239,1215 3.16,1216 3.217,1217 3.294,1218 3.113,1219 2.965,1220 3.975,1221 2.963,1222 2.958,1223 3.041,1224 3.014,1225 2.807,1226 3.872,1227 2.778,1228 2.88,1229 2.913,1230 2.725,1231 2.741,1232 3.654,1233 2.728,1234 0.192,1235 0.149,1236 0.282,1237 0.173,1238 0.132,1239 4.405,1240 0.178,1241 3.421,1242 0.037,1243 6.477,1244 0.437,1245 3.973,1246 0.123,1247 3.043,1248 4.091,1249 0.86,1250 10.053,1251 2.818,1252 1.899,1253 1.885,1254 1.989,1255 2.011,1256 1.284,1257 2.008,1258 1.678,1259 1.612,1260 1.895,1261 1.887,1262 1.169,1263 1.893,1264 1.592,1265 1.516,1266 1.869,1267 1.787,1268 1.135,1269 1.819,1270 1.465,1271 1.392,1272 1.788,1273 1.702,1274 0.935,1275 1.734,1276 1.354,1277 1.275,1278 1.661,1279 1.608,1280 0.865,1281 1.63,1282 1.223,1283 1.149,1284 1.577,1285 1.502,1286 0.659,1287 1.532,1288 1.079,1289 0.984,1290 1.402,1291 1.347,1292 0.552,1293 1.378,1294 0.837,1295 0.804,1296 1.159,1297 1.052,1298 0.401,1299 1.086,1300 3.85,1302 5.118,1303 2.398,1304 6.586,1305 4.595,1306 8.155,1307 6.555,1308 9.776,1310 5.8,1311 6.281,1315 7.356,1317 3.545,1318 10.932,1320 0.657,1321 2.541,1326 28.148,1327 73.252,1328 148.327,1329 225.346,1330 246.856,1331 246.856,1332 246.856,1333 37.502,1334 6.387,1335 33.73,1336 33.73,1337 11,1338 12.028,1339 2.807,1340 2,1341 42.365,1342 78,1343 71,1344 0.266,1345 180.185,1346 313.91,1347 431.412,1348 4367,1349 2,1350 15.949,1351 0.725,1352 0.663,1353 16.449,1354 14.579,1355 10.689,1356 0.465,1357 0.37,1358 8.032,1359 9.923,1360 7.734,1361 6.453,1362 10.978,1363 8.509,1364 8.726,1365 0.291,1366 0.2,1367 9.097,1368 6.005,1369 7.337,1370 0.188,1371 0.115,1372 7.669,1373 4.468,1374 6.238,1375 0.13,1376 0.071,1377 6.659,1378 3.421,1379 3.978,1380 0.083,1381 0.039,1382 4.172,1383 1.858,1384 0.421,1385 70.41,1386 0.259,1387 21.93,1388 0.718,1389 106,1390 291.652,1391 131.743,1392 300.784,1393 399.88,1394 284,1395 122,1396 263.454,1397 145.471,1398 274.43,1399 402.38,1400 257,1401 4.2}
{0 CHEMBL1346414,1 1.397,2 10.44,3 2.675,4 7.158,5 98.916,6 6.435,7 0.231,8 4.044,9 4.166,10 3.46,11 3.517,12 5.062,13 3.475,14 4.619,15 4.801,16 3.798,17 3.899,18 5.602,19 3.829,20 4.917,21 5.133,22 3.84,23 4.072,24 5.876,25 3.957,26 5.053,27 5.33,28 3.784,29 4.049,30 5.885,31 3.913,32 4.949,33 5.195,34 3.877,35 3.946,36 5.986,37 3.866,38 4.87,39 5.072,40 3.779,41 3.9,42 5.917,43 3.843,44 4.831,45 5.042,46 3.663,47 3.953,48 5.876,49 3.843,50 4.91,51 5.184,52 3.587,53 4.011,54 5.697,55 3.841,56 0.042,57 0.705,58 12.988,59 5.476,60 11.313,61 7.374,62 0.334,63 1.108,64 23.799,65 8.836,66 34.168,67 12.246,68 0.456,69 1.4,70 32.196,71 11.287,72 55.864,73 16.051,74 0.404,75 1.457,76 36.802,77 11.973,78 57.941,79 17.638,80 0.659,81 1.289,82 34.045,83 10.35,84 80.153,85 14.936,86 0.61,87 1.2,88 32.055,89 9.154,90 67.126,91 12.752,92 0.572,93 1.262,94 30.1,95 9.502,96 76.513,97 13.625,98 0.311,99 1.337,100 31.253,101 11.463,102 45.556,103 16.626,104 34,105 35,106 0.237,107 0.564,108 0.732,109 0.792,110 0.813,111 0.813,112 3.267,113 1.024,114 -3.53,115 -3.5,116 -3.34,120 37,121 3,122 3,123 1,124 1,126 2,129 1,136 1,139 1,143 5,145 1,159 1,174 11,176 1,177 4,180 1,182 3,185 13,188 1,189 4,192 1,194 4,197 8,201 7,206 2,209 1,213 1,214 13,217 2,219 2,222 4,227 6,232 3,235 7,240 4,243 1,245 2,247 12,252 3,257 2,260 14,264 1,269 2,271 10,274 1019,275 16.394,276 16.394,277 16.394,278 16.394,279 16.394,280 15.319,281 17.277,282 10.098,283 16.576,284 12.851,285 12.851,286 12.851,287 12.851,288 12.851,289 11.223,290 19.329,291 4.846,292 13.149,293 4.358,294 2.423,295 1.429,296 1.075,297 0.95,298 0.95,299 3.928,305 1,306 1,307 1,308 530,309 4.123,313 184.326,320 1.648,321 27.615,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 54.5,333 261,334 4.393,335 3.67,336 7.124,337 4.334,338 3.336,339 3.626,340 1.392,341 11.741,342 3.33,343 4.099,344 3.379,345 6.089,346 3.811,347 2.836,348 3.424,349 1.058,350 8.88,351 2.753,352 3.837,353 3.048,354 5.412,355 3.478,356 2.504,357 3.165,358 0.532,359 7.195,360 2.438,361 3.392,362 2.548,363 5.22,364 3.246,365 2.252,366 2.425,368 6.507,369 2.233,370 2.974,371 2.237,372 4.538,373 2.719,374 1.745,375 2.095,377 4.533,378 1.693,379 2.789,380 1.883,381 4.031,382 2.541,383 1.552,384 1.798,386 3.425,387 1.532,388 2.678,389 1.708,390 3.714,391 2.418,392 1.431,393 1.652,395 3.321,396 1.41,397 2.5,398 1.519,399 3.528,400 2.047,401 1.074,402 1.5,404 2.701,405 1.028,406 2.327,407 1.509,408 3.247,409 2,410 1,411 1.269,413 2.136,414 1,415 2.032,416 1,417 3.105,418 1.928,419 1,420 1.025,422 1.868,423 0.916,424 1.231,425 0.698,426 2.842,427 1.108,428 0.201,429 0.204,431 0.346,432 0.18,433 1.177,434 0.463,435 2.692,436 0.795,437 -0.198,438 -0.247,440 -0.483,441 -0.195,442 0.659,443 -0.054,444 2.439,445 0.447,446 -0.495,447 -0.517,449 -1.027,450 -0.462,451 0.52,452 -0.184,453 2,454 0.347,455 -0.663,456 -0.75,458 -1.996,459 -0.666,460 0.5,461 -0.601,462 2,463 0.044,464 -0.917,465 -0.957,467 -2.096,468 -0.854,469 11.733,470 0.469,471 0.689,472 0.028,473 24.5,474 0.98,475 9.5,476 0.38,477 15,478 0.6,479 26.739,480 1.07,481 29.667,482 0.549,483 17.683,484 0.707,485 4.552,486 0.182,487 7.345,488 0.294,489 0.185,490 0.043,491 0.213,496 0.858,497 1.371,498 0.955,499 1.292,500 0.801,501 1.157,502 0.92,503 1.17,504 0.959,505 1.117,506 0.707,507 1.058,508 0.985,509 1.209,510 1.108,511 1.193,512 0.813,513 1.176,514 0.967,515 0.957,516 0.86,517 0.925,518 0.824,519 0.88,520 1.183,521 0.908,522 0.862,523 0.878,524 1.134,525 0.823,526 2.173,527 0.945,528 1.308,529 0.868,530 1.517,531 0.936,532 1.503,533 1.002,534 1.377,535 1.031,536 1.921,537 1.148,538 0.706,539 0.953,540 0.928,541 0.984,542 0.724,543 0.993,544 6,545 0.058,546 2.222,547 1.375,548 1.542,549 1.049,550 0.469,551 0.467,552 0.304,553 0.196,554 6442,555 15483,556 1.941,557 53.7,558 10,559 10,560 1,562 2,564 4,565 2,567 1.685,568 1.796,569 3.315,570 0.233,571 1,572 1,575 75.444,576 1.397,577 3.331,578 4.326,579 4.68,580 4.805,581 4.805,582 2.828,583 4.019,584 4.607,585 3.494,586 1048.14,587 7.999,588 12974,590 1,592 1,593 310.764,594 1.583,595 4.551,596 0.231,597 0.004,598 0.063,599 0.04,600 0.048,601 0.03,602 0.015,603 0.017,604 0.011,605 0.009,606 0.468,607 0.33,608 1,609 1.685,610 121.013,611 -0.041,612 -0.068,613 0.028,614 -0.041,615 -0.091,617 0.099,618 -0.036,619 0.043,620 -0.006,621 0.056,622 0.003,623 0.024,624 -0.145,625 -0.116,626 -0.149,627 0.003,628 -0.157,629 -0.02,630 -0.017,631 0.115,632 0.02,633 -0.012,634 0.082,635 0.136,636 0.044,637 0.177,638 0.059,639 0.114,640 0.117,641 -0.357,642 0.04,643 -0.186,644 0.075,645 -0.155,646 -0.016,647 -0.207,648 0.081,649 -0.332,650 -0.041,651 -0.259,652 -0.179,653 -0.026,654 0.026,655 0.001,656 0.023,657 -0.022,658 0.018,659 1.927,660 5.569,661 0.48,662 25.03,663 0.996,664 1.132,665 2.299,666 5.285,667 0.62,668 3.296,669 3.584,670 3.714,671 3.892,672 4.143,673 4.127,674 4.22,675 4.19,676 4.159,677 4.143,678 6.176,679 0.579,680 347.5,681 3.296,682 4.812,683 5.609,684 6.466,685 7.295,686 8.159,687 9.003,688 9.871,689 10.725,690 11.595,691 1.9,698 1,709 5,714 1,716 6,738 54,739 8,740 1,741 26,743 55,744 20,745 6,746 1,747 5,748 3,752 2,753 2,759 4,760 1,763 1,764 1,766 3,768 9,769 11,770 1,772 2,778 1,780 1,782 2,785 1,786 1,789 29,790 5,791 2,792 5,797 1,803 1,804 4,805 1,823 2,838 1,845 2,853 1,854 2,855 2,859 3,862 25,868 1,869 5,871 1,872 2,874 2,876 1,886 7.4,887 1,889 1,890 2,893 13.917,894 10.117,895 5.611,896 3.287,898 1.286,899 1.195,900 0.88,901 7.329,902 7.886,903 3.466,904 3.902,905 4.245,906 4.631,907 5.056,908 4.991,909 5.161,910 5.334,911 5.414,912 5.55,913 1,914 34,915 9.308,917 3.819,918 7.777,919 17.884,921 14.324,924 2.277,925 56.917,928 1,929 317.82,930 108.593,931 18.011,933 89.828,936 108.593,937 407.648,938 18.011,939 26.476,940 30.207,941 99.9,942 57.093,943 2.757,944 11.771,945 306.049,947 317.82,948 126.604,949 89.828,952 247.193,953 95.772,954 64.683,955 0.36,956 56.682,957 54.843,958 14.72,960 317.82,961 107.839,962 108.593,965 318.179,966 24.901,967 83.333,968 18.011,969 89.828,970 317.82,971 107.839,972 108.593,973 0.57,974 0.302,975 0.149,976 0.091,977 14,978 7,979 0.145,980 8,982 1,983 3.637,984 190.332,986 12,987 107.342,993 19.801,994 9.254,995 6.368,997 107.839,998 9.322,1003 0.732,1005 60.694,1006 534.252,1007 31,1013 12.569,1015 1.909,1017 0.047,1020 53.781,1021 61.149,1022 0.243,1023 0.579,1024 0.752,1025 0.813,1026 0.835,1027 0.835,1028 4.705,1029 1.074,1030 5.617,1031 3.321,1032 4.263,1033 4.585,1034 2.038,1035 6.412,1036 4.222,1037 5.873,1038 1,1039 7.175,1040 2.701,1041 4.007,1042 4.311,1044 7.564,1045 3.983,1046 7.16,1047 1,1048 8.856,1049 2.136,1050 5.894,1051 6.539,1052 2.413,1053 10.534,1054 5.827,1055 8.48,1056 0.201,1057 10.614,1058 1.868,1059 6.447,1060 6.997,1062 12.504,1063 6.4,1064 9.834,1065 -0.198,1066 12.422,1067 0.346,1068 7.874,1069 8.782,1070 2.911,1071 15.097,1072 7.797,1073 11.21,1074 -0.495,1075 14.265,1076 -0.483,1077 8.781,1078 9.571,1080 17.369,1081 8.72,1082 12.605,1083 -0.663,1084 16.133,1085 -1.027,1086 10.041,1087 11.155,1088 3.474,1089 19.859,1090 9.965,1091 3.336,1092 -0.917,1093 18.021,1094 -1.996,1095 11.106,1096 12.116,1098 22.245,1099 11.04,1100 2.836,1101 11.741,1102 19.924,1103 -2.096,1104 12.31,1105 13.59,1106 4.077,1107 24.709,1108 12.237,1109 2.504,1110 8.88,1111 21.837,1112 3.626,1113 13.444,1114 14.653,1116 27.139,1117 13.378,1118 2.252,1119 7.195,1120 23.76,1121 3.424,1122 14.633,1123 16.06,1124 4.704,1125 29.598,1126 14.566,1127 1.745,1128 6.507,1129 25.691,1130 3.165,1131 15.799,1132 17.187,1134 32.046,1135 15.736,1136 1.552,1137 4.533,1138 27.627,1139 2.425,1140 16.988,1141 18.552,1142 5.345,1143 34.505,1144 16.924,1145 1.431,1146 3.425,1147 29.568,1148 2.095,1149 18.169,1150 19.722,1152 36.961,1153 18.108,1154 6616,1155 10376,1156 16.583,1157 33.483,1158 38.274,1159 39.773,1160 38.471,1161 37.768,1162 37.866,1163 44.365,1164 5.963,1165 105.303,1166 37.027,1167 5.35,1168 5.67,1169 7.06,1170 5.386,1171 5.336,1172 6.626,1173 2.783,1174 18.833,1175 5.33,1176 14.12,1177 1.472,1178 1.53,1179 1.48,1180 1.453,1181 1.456,1182 1.706,1183 0.229,1184 4.05,1185 1.424,1186 3.967,1187 3.998,1188 3.896,1189 3.858,1190 7.429,1191 3.86,1192 3.867,1193 3.903,1194 3.783,1195 3.785,1196 6.456,1197 3.779,1198 3.684,1199 3.741,1200 3.525,1201 3.52,1202 4.82,1203 3.511,1204 3.572,1205 3.614,1206 3.462,1207 3.405,1208 4.753,1209 3.411,1210 3.362,1211 3.399,1212 3.249,1213 3.131,1214 4.369,1215 3.151,1216 3.171,1217 3.238,1218 2.989,1219 2.919,1220 4.244,1221 2.923,1222 2.921,1223 3.009,1224 2.771,1225 2.765,1226 3.91,1227 2.757,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.775,1233 2.715,1234 0.169,1235 0.141,1236 0.274,1237 0.167,1238 0.128,1239 4.393,1240 0.139,1241 3.67,1242 0.054,1243 7.124,1244 0.452,1245 4.334,1246 0.128,1247 3.336,1248 3.626,1249 1.392,1250 11.741,1251 3.33,1252 1.91,1253 1.879,1254 2.075,1255 2.048,1256 1.399,1257 2.053,1258 1.87,1259 1.836,1260 2.009,1261 1.976,1262 1.249,1263 1.99,1264 1.672,1265 1.615,1266 1.933,1267 1.874,1268 1.062,1269 1.896,1270 1.534,1271 1.491,1272 1.762,1273 1.741,1274 0.968,1275 1.748,1276 1.274,1277 1.234,1278 1.504,1279 1.543,1280 0.701,1281 1.522,1282 1.127,1283 1.057,1284 1.417,1285 1.416,1286 0.541,1287 1.423,1288 0.934,1289 0.849,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.821,1296 1.412,1297 1.239,1298 0.469,1299 1.308,1300 3.97,1302 5.263,1304 6.739,1306 8.302,1308 9.915,1310 6.444,1314 8.858,1315 2.85,1317 2.86,1318 11.577,1320 -0.259,1322 0.009,1326 31.256,1327 75.444,1328 179.896,1329 233.605,1330 252.725,1331 259.48,1332 259.48,1333 64.414,1334 6.6,1335 67.79,1336 67.79,1337 12,1338 12.142,1339 3.17,1340 2.585,1341 51.394,1342 89,1343 114,1344 0.278,1345 195.973,1346 351.9,1347 469.934,1348 5540,1350 18.286,1351 0.731,1352 0.613,1353 18.286,1354 15.326,1355 11.897,1356 0.458,1357 0.341,1358 8.755,1359 11.43,1360 8.434,1361 7.079,1362 11.897,1363 8.872,1364 10.963,1365 0.313,1366 0.212,1367 10.963,1368 7.408,1369 7.766,1370 0.194,1371 0.107,1372 7.766,1373 4.281,1374 5.893,1375 0.123,1376 0.056,1377 5.893,1378 2.665,1379 4.996,1380 0.081,1381 0.03,1382 4.996,1383 1.837,1384 0.432,1385 74.801,1386 0.246,1387 24.383,1388 0.774,1389 122,1390 353.689,1391 135.679,1392 329.039,1393 435.4,1394 308,1395 136,1396 301.314,1397 148.795,1398 302.938,1399 440.33,1400 283,1401 5.261}
{0 CHEMBL1346464,1 1.61,2 10.923,3 2.953,4 8.718,5 94.161,6 8.054,7 0.552,8 3.929,9 4.016,10 3.561,11 3.406,12 5.093,13 3.437,14 4.451,15 4.578,16 3.917,17 3.765,18 5.6,19 3.794,20 4.592,21 4.726,22 3.983,23 3.867,24 5.797,25 3.873,26 4.611,27 4.772,28 3.858,29 3.841,30 5.765,31 3.813,32 4.621,33 4.817,34 3.722,35 3.751,36 5.722,37 3.702,38 4.501,39 4.706,40 3.595,41 3.644,42 5.633,43 3.59,44 4.445,45 4.686,46 3.532,47 3.549,48 5.578,49 3.469,50 4.186,51 4.357,52 3.444,53 3.39,54 5.341,55 3.373,56 0.123,57 0.612,58 8.023,59 4.012,60 7.809,61 4.47,62 0.466,63 0.946,64 16.751,65 6.495,66 29.477,67 7.258,68 0.681,69 1.096,70 19.304,71 7.389,72 39.142,73 8.466,74 0.506,75 1.114,76 19.977,77 7.75,78 35.8,79 9.379,80 0.616,81 1.062,82 22.659,83 7.989,84 45.341,85 10.06,86 0.532,87 0.996,88 19.609,89 6.579,90 45.737,91 8.573,92 0.704,93 0.895,94 20.303,95 6.754,96 54.754,97 9.636,98 0.35,99 0.688,100 13.881,101 5.232,102 29.014,103 6.35,104 14,105 41,106 0.277,107 0.603,108 0.725,109 0.817,110 0.832,111 0.848,112 3.304,113 0.842,114 -1.93,115 -1.98,116 -1.98,120 43.2,125 2,126 2,143 6,144 1,145 5,153 2,159 1,174 3,177 4,180 1,182 5,185 3,188 2,189 7,192 1,193 1,194 3,197 3,201 6,204 2,206 1,214 4,217 2,219 4,222 2,226 1,232 1,235 3,239 3,240 1,243 3,247 5,252 2,255 1,260 2,264 7,274 958,275 17.928,276 17.928,277 17.928,278 17.928,279 17.928,280 16.002,281 22.747,282 10.41,283 18.625,284 14.213,285 14.213,286 14.213,287 14.213,288 14.213,289 10.985,290 29.921,291 4.8,292 15.139,293 3.85,294 1.96,295 1.25,296 0.716,297 0.625,298 0.534,299 4.003,305 1,306 1,307 1,308 623,309 3.162,312 54.154,313 207.003,316 103.138,317 116.876,320 1.704,321 28.307,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 284,334 4.566,335 3.586,336 6.439,337 4.096,338 3.124,339 4.502,340 1.058,341 10.107,342 3.037,343 4.285,344 3.253,345 6.189,346 3.879,347 2.932,348 3.922,349 0.86,350 9.25,351 2.775,352 4.08,353 3.234,354 6.073,355 3.701,356 2.743,357 3.574,358 0.86,359 8.788,360 2.62,361 3.746,362 2.718,363 5.734,364 3.355,365 2.402,366 3.101,367 0.86,368 7.628,369 2.275,370 3.46,371 2.422,372 5.219,373 3.066,374 2.096,375 2.769,376 0.86,377 6.449,378 2.018,379 3.178,380 2.215,381 4.717,382 2.715,383 1.771,384 2.471,386 5.118,387 1.669,388 2.923,389 2.175,390 4.417,391 2.53,392 1.618,393 2.061,395 4.371,396 1.469,397 2.641,398 1.801,399 4.004,400 2.331,401 1.415,402 1.612,404 3.188,405 1.283,406 2.468,407 1.65,408 3.943,409 2.1,410 1.136,411 1.456,413 2.9,414 1.087,415 2.399,416 1.427,417 3.61,418 2.019,419 1.106,420 1.376,422 2.841,423 0.994,424 1.915,425 1.02,426 3.171,427 1.589,428 0.686,429 0.817,431 1.588,432 0.612,433 1.554,434 1.002,435 2.887,436 1.213,437 0.365,438 0.396,440 0.492,441 0.307,442 1.486,443 0.551,444 2.82,445 1.157,446 0.241,447 0.311,449 0.458,450 0.219,451 1.196,452 0.518,453 2.698,454 0.846,455 -0.116,456 -0.143,458 -0.294,459 -0.11,460 0.772,461 -0.05,462 2.401,463 0.314,464 -0.618,465 -0.729,467 -1.543,468 -0.563,469 11.967,470 0.46,471 0.585,472 0.022,473 35.75,474 1.375,475 18,476 0.692,477 17.75,478 0.683,479 18.136,480 0.698,481 28.233,482 0.642,483 26.637,484 1.024,485 7.429,486 0.286,487 5.245,488 0.202,489 0.111,491 0.376,496 0.884,497 1.289,498 0.706,499 1.14,500 0.67,501 0.916,502 1.272,503 1.037,504 0.841,505 0.858,506 0.817,507 0.763,508 1.074,509 1.034,510 0.994,511 0.985,512 0.968,513 0.968,514 1,515 1.207,516 1.088,517 1.193,518 1.213,519 1.167,520 1.048,521 1.072,522 1.031,523 1.02,524 1.195,525 1.03,526 0.927,527 1.106,528 1.09,529 1.034,530 1.393,531 1.072,532 0.333,533 0.732,534 0.714,535 0.804,536 0.534,537 0.841,538 1.063,539 1.061,540 0.913,541 1.028,542 1.412,543 0.958,544 5.5,545 0.086,546 2.889,547 1.729,548 1.885,549 0.646,550 0.719,551 0.275,552 0.202,553 0.161,554 8486,555 24766,556 2.124,557 40.9,559 16,562 2,567 1.688,568 2,569 3.446,570 0.289,571 1,572 1,574 1,575 70.836,576 1.61,577 3.499,578 4.209,579 4.743,580 4.834,581 4.925,582 2.921,583 3.95,584 4.673,585 3.585,586 1165.13,587 8.08,588 14583.7,590 1,592 1,593 240.215,594 1.37,595 4.637,596 0.19,597 0.005,598 0.07,599 0.041,600 0.052,601 0.021,602 0.027,603 0.011,604 0.008,605 0.008,606 0.433,607 0.33,608 1,609 0.825,610 127.784,611 -0.086,612 -0.144,613 0.058,614 -0.105,615 -0.076,616 -0.003,617 -0.175,618 0.006,619 0.064,620 0.135,621 -0.037,622 0.153,623 0.002,624 0.028,625 -0.088,626 -0.01,627 -0.007,628 -0.062,629 -0.082,630 -0.166,631 -0.178,632 -0.215,633 -0.104,634 -0.222,635 -0.072,636 -0.114,637 -0.039,638 -0.044,639 -0.046,640 -0.044,641 -0.064,642 -0.069,643 -0.124,644 -0.092,645 -0.1,646 -0.109,647 0.445,648 0.235,649 0.309,650 0.16,651 0.426,652 0.195,653 -0.066,654 -0.091,655 0.047,656 -0.034,657 -0.079,658 0.018,659 1.921,660 5.584,661 0.731,662 22.911,663 1.021,664 1.122,665 0.699,666 0.488,667 0.668,668 3.401,669 3.738,670 4.043,671 4.317,672 4.564,673 4.635,674 4.762,675 4.898,676 4.875,677 4.844,678 6.472,679 0.655,680 354.39,681 3.401,682 4.949,683 5.814,684 6.701,685 7.582,686 8.472,687 9.359,688 10.25,689 11.139,690 12.032,691 4.5,698 1,699 1,708 2,709 6,711 1,714 6,716 16,723 1,735 4,738 44,739 17,740 2,741 29,743 47,744 19,745 14,746 7,747 5,748 1,752 4,753 6,768 15,769 4,772 1,778 1,782 1,785 1,786 1,789 18,790 6,791 2,792 7,797 2,803 0.5,804 5,818 1,822 1,823 3,826 1,827 1,855 2,859 2,862 26,869 2,871 1,872 4,886 11.4,889 1,891 4,893 13,894 8.583,895 5.778,896 2.403,898 3.132,899 1.409,900 0.998,901 4.652,902 10.781,903 3.664,904 4.301,905 4.932,906 5.545,907 6.112,908 6.457,909 6.822,910 7.213,911 7.271,912 7.428,913 1,914 42,915 9.586,917 4.093,918 7.808,919 18.042,921 14.581,924 2.308,925 60,928 1,929 188.338,930 123.717,931 34.796,933 69.144,936 123.717,937 257.482,938 34.796,939 21.766,940 27.196,941 56.857,942 29.85,943 87.089,944 4.901,945 188.338,947 188.338,948 158.514,949 69.144,952 188.338,953 69.144,956 43.981,957 114.533,960 188.338,961 103.941,962 123.717,965 188.338,966 45.094,967 78.624,968 34.796,969 69.144,970 188.338,971 103.941,972 123.717,973 0.579,974 0.354,975 0.195,976 0.108,977 21,978 9,979 0.085,980 4,981 2,982 1.211,983 3.84,984 221.957,985 0.211,986 19,987 122.211,993 17.058,994 7.091,995 3.354,996 1.643,997 87.155,998 10.706,1000 3.1,1003 3.58,1005 34.796,1006 415.996,1007 38,1013 12.584,1017 -0.254,1020 44.909,1021 49.365,1022 0.295,1023 0.641,1024 0.771,1025 0.869,1026 0.885,1027 0.902,1028 4.905,1029 1.415,1030 5.802,1031 4.371,1032 4.419,1033 4.987,1034 2.214,1035 6.624,1036 4.311,1037 6.122,1038 1.136,1039 7.367,1040 3.188,1041 4.007,1042 4.902,1044 7.506,1045 3.889,1046 7.446,1047 1.106,1048 9.027,1049 2.9,1050 6.028,1051 7.255,1052 2.065,1053 10.593,1054 5.841,1055 8.806,1056 0.686,1057 10.74,1058 2.841,1059 6.431,1060 7.99,1062 12.26,1063 6.225,1064 10.198,1065 0.365,1066 12.487,1067 1.588,1068 7.909,1069 9.825,1070 1.953,1071 14.843,1072 7.653,1073 11.61,1074 0.241,1075 14.256,1076 0.492,1077 8.687,1078 10.939,1080 16.841,1081 8.403,1082 13.038,1083 -0.116,1084 16.039,1085 0.458,1086 9.944,1087 12.567,1088 1.878,1089 19.237,1090 9.622,1091 3.124,1092 -0.618,1093 17.834,1094 -0.294,1095 10.898,1096 13.867,1098 21.384,1099 10.544,1100 2.932,1101 10.107,1102 19.637,1103 -1.543,1104 12.064,1105 15.409,1106 1.84,1107 23.708,1108 11.678,1109 2.743,1110 9.25,1111 21.446,1112 4.502,1113 13.101,1114 16.803,1116 25.926,1117 12.682,1118 2.402,1119 8.788,1120 23.26,1121 3.922,1122 14.231,1123 18.31,1124 1.834,1125 28.223,1126 13.783,1127 2.096,1128 7.628,1129 25.078,1130 3.574,1131 15.307,1132 19.752,1134 30.475,1135 14.828,1136 1.771,1137 6.449,1138 26.9,1139 3.101,1140 16.425,1141 21.247,1142 1.855,1143 32.764,1144 15.917,1145 1.618,1146 5.118,1147 28.724,1148 2.769,1149 17.521,1150 22.714,1152 35.034,1153 16.984,1154 8005,1155 13802,1156 19.592,1157 29.375,1158 43.335,1159 45.412,1160 44.941,1161 43.118,1162 43.271,1163 56.736,1164 8.997,1165 126.357,1166 40.729,1167 5.51,1168 5.586,1169 6.126,1170 5.236,1171 5.124,1172 7.502,1173 2.117,1174 16.876,1175 5.037,1176 11.387,1177 1.494,1178 1.566,1179 1.55,1180 1.487,1181 1.492,1182 1.956,1183 0.31,1184 4.357,1185 1.404,1186 4.135,1187 4.162,1188 4.103,1189 4.036,1190 7.429,1191 4.049,1192 3.943,1193 3.958,1194 3.897,1195 3.836,1196 5.024,1197 3.847,1198 3.596,1199 3.616,1200 3.546,1201 3.395,1202 4.946,1203 3.427,1204 3.455,1205 3.501,1206 3.337,1207 3.248,1208 4.643,1209 3.258,1210 3.25,1211 3.316,1212 3.117,1213 2.965,1214 4.496,1215 2.994,1216 3.222,1217 3.271,1218 3.062,1219 2.959,1220 4.375,1221 2.97,1222 2.968,1223 3.052,1224 2.803,1225 2.772,1226 4.213,1227 2.763,1228 2.894,1229 2.963,1230 2.738,1231 2.739,1232 3.854,1233 2.727,1234 0.157,1235 0.124,1236 0.222,1237 0.141,1238 0.108,1239 4.566,1240 0.155,1241 3.586,1242 0.036,1243 6.439,1244 0.349,1245 4.096,1246 0.105,1247 3.124,1248 4.502,1249 1.058,1250 10.107,1251 3.037,1252 1.916,1253 1.903,1254 1.986,1255 2.035,1256 1.138,1257 2.017,1258 1.894,1259 1.877,1260 1.983,1261 2.019,1262 1.108,1263 2.007,1264 1.58,1265 1.548,1266 1.707,1267 1.799,1268 0.922,1269 1.767,1270 1.408,1271 1.356,1272 1.639,1273 1.628,1274 0.717,1275 1.637,1276 1.237,1277 1.182,1278 1.573,1279 1.533,1280 0.582,1281 1.544,1282 1.187,1283 1.11,1284 1.571,1285 1.52,1286 0.573,1287 1.536,1288 0.977,1289 0.921,1290 1.184,1291 1.257,1292 0.215,1293 1.235,1294 0.843,1295 0.797,1296 1.083,1297 1.071,1298 0.149,1299 1.073,1300 4.078,1302 5.407,1303 2.398,1304 6.938,1305 4.727,1306 8.559,1307 6.843,1308 10.226,1310 3.147,1315 1.025,1317 2.858,1318 21.611,1326 28.831,1327 70.836,1328 153.976,1329 185.195,1330 208.705,1331 212.705,1332 216.705,1333 38.394,1334 7.649,1335 81.81,1336 81.81,1337 23,1338 12.559,1339 4.17,1340 3.322,1341 38.207,1342 102,1343 90,1344 0.184,1345 173.602,1346 299.95,1347 415.349,1348 22620,1350 18.096,1351 0.696,1352 0.555,1353 18.096,1354 14.42,1355 12.673,1356 0.437,1357 0.281,1358 7.937,1359 11.915,1360 7.749,1361 6.402,1362 12.673,1363 8.135,1364 11.256,1365 0.275,1366 0.141,1367 11.256,1368 5.79,1369 9.962,1370 0.178,1371 0.074,1372 9.962,1373 4.17,1374 8.366,1375 0.113,1376 0.039,1377 8.366,1378 2.901,1379 6.952,1380 0.073,1381 0.021,1382 6.952,1383 1.975,1384 0.292,1385 81.481,1386 0.226,1387 25.195,1388 0.499,1389 140,1390 483.343,1391 159.165,1392 444.44,1393 608.14,1394 420,1395 167,1396 445.143,1397 187.026,1398 445.589,1399 655.1,1400 417,1401 6.042}
{0 CHEMBL1347196,1 1.966,2 12.032,3 4.662,4 21.733,5 121.672,6 9.845,7 0.364,8 4.001,9 4.089,10 3.825,11 3.611,12 5.229,13 3.585,14 4.505,15 4.633,16 4.216,17 3.963,18 5.754,19 3.921,20 4.695,21 4.846,22 4.421,23 4.078,24 6.04,25 4.014,26 4.693,27 4.868,28 4.251,29 4.02,30 5.961,31 3.956,32 4.686,33 4.841,34 4.31,35 4.013,36 6.186,37 3.961,38 4.629,39 4.766,40 4.233,41 3.982,42 5.974,43 3.936,44 4.624,45 4.764,46 4.242,47 3.97,48 6.099,49 3.916,50 4.642,51 4.805,52 4.254,53 3.984,54 6.072,55 3.907,56 0.165,57 0.743,58 5.443,59 4.319,60 13.541,61 4.514,62 0.51,63 1.184,64 16.915,65 7.599,66 34.894,67 7.767,68 0.785,69 1.397,70 27.562,71 9.52,72 69.579,73 9.603,74 0.7,75 1.415,76 27.627,77 10.013,78 76.623,79 9.998,80 0.942,81 1.489,82 28.756,83 10.116,84 109.714,85 9.615,86 0.655,87 1.27,88 24.273,89 9.214,90 71.587,91 8.204,92 0.828,93 1.304,94 22.245,95 8.967,96 110.894,97 8.294,98 0.819,99 1.308,100 28.149,101 9.787,102 90.267,103 10.098,104 44,105 45,106 0.331,107 0.678,108 0.821,109 0.896,110 0.91,111 0.91,112 3.472,113 0.989,114 -4.75,115 -4.66,116 -4.38,120 42.9,125 1,126 3,136 1,139 1,143 7,144 1,145 4,159 2,160 1,174 7,176 2,177 4,180 1,185 8,188 1,189 6,192 1,194 1,197 8,201 8,209 5,213 3,214 9,217 2,222 5,227 6,235 6,239 1,240 5,243 1,245 2,247 6,251 2,252 5,257 3,260 7,264 3,269 3,271 6,274 1845,275 20.698,276 20.698,277 20.698,278 20.698,279 20.698,280 18.478,281 20.272,282 12.439,283 21.527,284 16.222,285 16.222,286 16.222,287 16.222,288 16.222,289 12.803,290 19.092,291 5.883,292 17.629,293 3.649,294 1.596,295 0.743,296 0.301,297 0.219,298 0.219,299 4.15,303 2,307 1,308 774,309 3.808,312 95.159,313 220.935,320 1.717,321 48.51,324 1,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.85,332 68.667,333 373,334 4.556,335 4.591,336 6.957,337 4.217,338 3.281,339 4.04,340 3.87,341 11.735,342 3.078,343 4.233,344 3.798,345 6.039,346 3.765,347 2.84,348 3.881,349 1.982,350 8.625,351 2.651,352 4.053,353 3.501,354 5.933,355 3.591,356 2.649,357 3.582,358 1.182,359 8.202,360 2.459,361 3.691,362 3.309,363 5.482,364 3.369,365 2.399,366 2.936,367 0.86,368 6.918,369 2.32,370 3.582,371 3.114,372 5.154,373 3.153,374 2.227,375 2.815,376 0.716,377 6.187,378 1.956,379 3.32,380 2.703,381 5.014,382 2.855,383 1.931,384 2.478,385 0.223,386 5.814,387 1.731,388 3.045,389 2.449,390 4.749,391 2.583,392 1.661,393 2.182,394 0.122,395 4.798,396 1.515,397 2.86,398 2.22,399 4.068,400 2.487,401 1.576,402 2.007,404 3.525,405 1.421,406 2.82,407 2.149,408 4.034,409 2.381,410 1.414,411 1.948,413 3.198,414 1.351,415 2.662,416 2.047,417 3.615,418 2.306,419 1.414,420 1.634,422 3.066,423 1.199,424 2.629,425 1.831,426 3.593,427 2.134,428 1.143,429 1.617,431 2.877,432 1.12,433 1.885,434 1.547,435 3.251,436 1.659,437 0.813,438 0.842,440 1.631,441 0.679,442 1.727,443 1.383,444 3.08,445 1.356,446 0.463,447 0.526,449 0.879,450 0.397,451 1.692,452 0.957,453 2.726,454 1.21,455 0.319,456 0.398,458 0.76,459 0.25,460 1.41,461 0.793,462 2.47,463 0.9,464 0.028,465 0.037,467 0.064,468 0.022,469 15.248,470 0.492,471 0.771,472 0.025,473 38.5,474 1.242,475 18.5,476 0.597,477 20,478 0.645,479 28.12,480 0.907,481 33.352,482 0.681,483 31.707,484 1.023,485 7.77,486 0.251,487 7.131,488 0.23,489 0.189,491 0.321,494 1,496 0.657,497 1.131,498 0.565,499 0.868,500 0.544,501 0.834,502 0.829,503 1.076,504 0.781,505 0.941,506 0.64,507 0.855,508 0.97,509 0.99,510 0.846,511 0.887,512 1.031,513 0.882,514 1.13,515 1.115,516 0.939,517 0.942,518 1.156,519 0.868,520 0.905,521 0.992,522 0.965,523 1.037,524 1.062,525 0.851,526 1.167,527 1.07,528 1.011,529 1.12,530 1.283,531 0.947,532 1.104,533 1.105,534 0.966,535 1.046,536 1.318,537 0.997,538 0.703,539 0.975,540 0.825,541 1.036,542 0.824,543 0.985,544 6,545 0.247,546 3.556,547 2.604,548 1.931,549 1.056,550 0.852,551 0.586,552 0.396,553 0.324,554 11880,555 46486,556 1.993,557 36.7,559 17,562 1,567 1.743,568 1.842,569 3.508,570 -0.265,575 96.314,576 1.966,577 4.019,578 4.872,579 5.314,580 5.395,581 5.395,582 3.039,583 4.825,584 4.916,585 3.686,586 1714.07,587 8.63,588 24681,593 275.121,594 1.492,595 4.869,596 0.182,597 0.008,598 0.079,599 0.055,600 0.044,601 0.022,602 0.019,603 0.014,604 0.01,605 0.009,606 0.442,607 0.17,608 0.88,609 1.737,610 160.936,611 -0.055,612 -0.128,613 0.017,614 -0.018,615 -0.041,616 -0.006,617 -0.026,618 -0.083,619 0.007,620 0.014,621 -0.008,622 0.037,623 -0.01,624 0.036,625 0.106,626 0.09,627 -0.048,628 0.048,629 -0.168,630 -0.043,631 -0.005,632 0.068,633 -0.112,634 0.098,635 0.138,636 0.145,637 -0.024,638 0.045,639 0.143,640 0.08,641 -0.205,642 -0.098,643 -0.115,644 -0.073,645 -0.164,646 -0.038,647 -0.031,648 0.013,649 -0.081,650 -0.042,651 -0.012,652 -0.094,653 0.206,654 0.053,655 0.076,656 -0.02,657 0.175,658 -0.015,659 2.246,660 6.441,661 0.548,662 34.984,663 1.03,664 1.123,665 3.516,666 12.364,667 0.725,668 3.526,669 3.829,670 4.078,671 4.317,672 4.533,673 4.585,674 4.727,675 4.868,676 4.934,677 5.004,678 7.024,679 0.697,680 482.39,681 3.526,682 5.056,683 5.894,684 6.765,685 7.631,686 8.513,687 9.394,688 10.284,689 11.174,690 12.07,691 6.1,698 2,700 1,709 7,714 5,716 12,737 3,738 49,739 16,740 2,741 33,743 51,744 21,745 12,746 5,747 7,748 4,752 3,753 3,754 2,768 17,769 4,772 4,778 2,780 1,781 1,782 4,787 1,789 18,790 7,791 1,792 10,793 3,797 3,803 1,804 3,822 1,823 2,838 1,839 1,845 2,854 1,855 3,856 1,857 1,859 1,860 2,861 1,862 31,869 3,871 1,872 1,873 1,875 1,885 3,886 6.1,889 2,890 1,893 16.833,894 9.162,895 7,896 2.677,898 2.78,899 1.378,900 0.963,901 8.379,902 10.135,903 3.784,904 4.331,905 4.844,906 5.355,907 5.875,908 6.07,909 6.458,910 6.876,911 7.209,912 7.511,913 1,914 47,915 11.519,917 4.93,918 8.099,919 21.071,921 16.638,924 2.599,925 80.556,929 200.109,930 161.434,931 37.921,932 78.297,933 61.29,934 14.96,935 32.22,936 129.214,937 339.696,938 52.881,939 10.883,940 28.733,941 75.81,942 73.456,943 38.85,944 15.653,945 232.328,946 78.297,947 200.109,948 167.135,949 76.25,950 110.517,952 215.069,953 50.29,954 11,956 45.518,957 109.384,958 90.53,959 32.22,960 215.069,961 99.21,962 239.731,965 200.109,966 74.741,967 89.817,968 18.011,969 171.333,970 200.109,971 114.17,972 239.731,973 0.573,974 0.332,975 0.171,976 0.096,977 19,978 10,979 0.157,980 8,982 1,983 4.128,984 270.603,986 17,987 151.58,989 1,993 23.608,994 11.003,995 6.012,997 114.17,998 10.764,1003 0.798,1005 18.011,1006 554.011,1007 43,1013 25.114,1015 1.532,1016 4.353,1017 -0.488,1020 50.476,1021 55.008,1022 0.35,1023 0.716,1024 0.868,1025 0.946,1026 0.961,1027 0.961,1028 5.017,1029 1.576,1030 5.878,1031 4.798,1032 4.511,1033 5.017,1034 3.736,1035 6.683,1036 4.36,1037 6.218,1038 1.414,1039 7.438,1040 3.525,1041 4.111,1042 4.808,1043 2.457,1044 7.6,1045 3.861,1046 7.521,1047 1.414,1048 9.102,1049 3.198,1050 6.094,1051 7.14,1052 6.093,1053 10.729,1054 5.822,1055 8.86,1056 1.143,1057 10.828,1058 3.066,1059 6.524,1060 7.716,1061 5.193,1062 12.528,1063 6.152,1064 10.231,1065 0.813,1066 12.595,1067 2.877,1068 7.984,1069 9.545,1070 8.715,1071 15.196,1072 7.593,1073 11.625,1074 0.463,1075 14.393,1076 1.631,1077 8.805,1078 10.492,1079 8.082,1080 17.378,1081 8.319,1082 13.037,1083 0.319,1084 16.213,1085 0.879,1086 10.067,1087 12.103,1088 11.378,1089 19.899,1090 9.55,1091 3.281,1092 0.028,1093 18.051,1094 0.76,1095 11.072,1096 13.24,1097 10.977,1098 22.245,1099 10.47,1100 2.84,1101 11.735,1102 19.905,1103 0.064,1104 12.262,1105 14.742,1106 14.049,1107 24.721,1108 11.616,1109 2.649,1110 8.625,1111 21.771,1112 4.04,1113 13.353,1114 15.984,1115 13.841,1116 27.134,1117 12.632,1118 2.399,1119 8.202,1120 23.648,1121 3.881,1122 14.521,1123 17.428,1124 16.725,1125 29.597,1126 13.748,1127 2.227,1128 6.918,1129 25.534,1130 3.582,1131 15.655,1132 18.727,1133 16.677,1134 32.038,1135 14.81,1136 1.931,1137 6.187,1138 27.428,1139 2.936,1140 16.82,1141 20.141,1142 19.401,1143 34.499,1144 15.918,1145 1.661,1146 5.814,1147 29.328,1148 2.815,1149 17.975,1150 21.473,1151 19.491,1152 36.952,1153 17.006,1154 11865,1155 23628,1156 21.383,1157 35.534,1158 49.242,1159 53.666,1160 51.025,1161 48.507,1162 48.319,1163 61.848,1164 17.91,1165 136.557,1166 44.301,1167 5.517,1168 6.591,1169 6.868,1170 5.363,1171 5.281,1172 7.04,1173 7.591,1174 19.108,1175 5.078,1176 18.189,1177 1.492,1178 1.626,1179 1.546,1180 1.47,1181 1.464,1182 1.874,1183 0.543,1184 4.138,1185 1.342,1186 4.007,1187 4.032,1188 4.133,1189 3.929,1190 8.201,1191 3.927,1192 3.889,1193 3.909,1194 4.028,1195 3.828,1196 7.43,1197 3.826,1198 3.712,1199 3.753,1200 3.8,1201 3.6,1202 7.426,1203 3.584,1204 3.653,1205 3.69,1206 3.619,1207 3.443,1208 5.047,1209 3.461,1210 3.418,1211 3.451,1212 3.444,1213 3.245,1214 4.733,1215 3.215,1216 3.113,1217 3.193,1218 3.399,1219 2.971,1220 4.637,1221 2.969,1222 3.046,1223 3.088,1224 3.26,1225 2.843,1226 4.578,1227 2.822,1228 2.901,1229 2.958,1230 3.092,1231 2.791,1232 4.49,1233 2.764,1234 0.138,1235 0.139,1236 0.211,1237 0.128,1238 0.099,1239 4.556,1240 0.122,1241 4.591,1242 0.117,1243 6.957,1244 0.356,1245 4.217,1246 0.093,1247 3.281,1248 4.04,1249 3.87,1250 11.735,1251 3.078,1252 1.908,1253 1.894,1254 1.98,1255 1.988,1256 1.102,1257 1.987,1258 1.877,1259 1.851,1260 1.962,1261 1.958,1262 1.06,1263 1.97,1264 1.605,1265 1.558,1266 1.822,1267 1.864,1268 1.042,1269 1.855,1270 1.447,1271 1.428,1272 1.586,1273 1.625,1274 0.825,1275 1.632,1276 1.384,1277 1.353,1278 1.497,1279 1.58,1280 0.581,1281 1.556,1282 1.178,1283 1.126,1284 1.465,1285 1.443,1286 0.562,1287 1.451,1288 1.067,1289 0.978,1290 1.226,1291 1.332,1292 0.328,1293 1.332,1294 0.868,1295 0.824,1296 1.109,1297 1.068,1298 0.165,1299 1.08,1300 4.205,1302 5.509,1303 2.398,1304 7.002,1305 4.844,1306 8.587,1307 7.018,1308 10.223,1310 1.536,1311 11.987,1312 14.441,1315 0.745,1317 2.688,1318 4.894,1319 1.033,1321 1.159,1326 34.175,1327 96.314,1328 196.94,1329 238.714,1330 260.366,1331 264.366,1332 264.366,1333 88.874,1334 7.354,1335 73.22,1336 98.52,1337 17,1338 12.597,1339 4.087,1340 3.459,1341 57.851,1342 125,1343 170,1344 0.22,1345 222.122,1346 400.95,1347 533.738,1348 14040,1349 6.1,1350 22.38,1351 0.722,1352 0.604,1353 22.863,1354 18.73,1355 14.901,1356 0.452,1357 0.33,1358 9.121,1359 13.272,1360 8.764,1361 7.227,1362 15.522,1363 10.874,1364 13.166,1365 0.293,1366 0.18,1367 13.931,1368 8.078,1369 10.846,1370 0.187,1371 0.1,1372 12.017,1373 5.808,1374 8.469,1375 0.114,1376 0.052,1377 9.334,1378 3.814,1379 6.879,1380 0.075,1381 0.029,1382 7.72,1383 2.653,1384 0.343,1385 104.889,1386 0.216,1387 29.103,1388 0.614,1389 156,1390 608.208,1391 227.818,1392 632.531,1393 812.63,1394 586,1395 181,1396 505.848,1397 246.307,1398 537.92,1399 789.28,1400 502,1401 4.698}
{0 CHEMBL1347369,1 1.981,2 9.292,3 3.365,4 11.323,5 93.608,6 9.861,7 0.654,8 3.754,9 3.833,10 3.707,11 3.365,12 4.958,13 3.333,14 4.248,15 4.356,16 4.004,17 3.704,18 5.635,19 3.681,20 4.432,21 4.564,22 4.095,23 3.801,24 5.762,25 3.746,26 4.491,27 4.643,28 4.075,29 3.764,30 5.914,31 3.73,32 4.487,33 4.659,34 4.009,35 3.708,36 5.832,37 3.678,38 4.415,39 4.576,40 3.955,41 3.614,42 5.859,43 3.58,44 4.265,45 4.443,46 3.674,47 3.431,48 5.701,49 3.403,50 4.003,51 4.181,52 3.285,53 3.238,54 5.245,55 3.175,56 0.169,57 0.589,58 5.791,59 3.653,60 16.857,61 3.376,62 0.434,63 0.888,64 12.795,65 5.8,66 51.475,67 5.666,68 0.613,69 0.999,70 16.748,71 6.874,72 54.629,73 6.96,74 0.652,75 1.068,76 19.966,77 7.256,78 52.852,79 7.043,80 0.65,81 1.074,82 20.971,83 7.232,84 56.889,85 6.514,86 0.755,87 0.95,88 23.149,89 6.569,90 78.089,91 5.581,92 0.658,93 0.804,94 19.395,95 5.5,96 71.616,97 4.591,98 0.445,99 0.569,100 10.709,101 4.188,102 55.548,103 4.359,104 18,105 37,106 0.352,107 0.63,108 0.739,109 0.835,110 0.845,111 0.845,112 3.229,113 1.03,114 -4.72,115 -4.64,116 -4.36,120 40.5,125 1,126 1,143 8,144 1,145 3,163 1,167 3,174 7,176 4,177 2,185 8,188 5,189 7,197 5,200 5,201 12,209 1,213 2,214 17,226 2,227 14,235 1,240 9,247 4,252 4,260 7,264 4,271 6,274 816,275 16.032,276 16.032,277 16.032,278 16.032,279 16.032,280 13.683,281 14.956,282 9.381,283 16.691,284 12.768,285 12.768,286 12.768,287 12.768,288 12.768,289 9.223,290 12.71,291 4.346,292 13.857,293 3.229,294 1.665,295 1.047,296 0.507,297 0.453,298 0.453,299 3.904,303 1,305 1,306 1,307 1,308 473,309 3.317,312 67.734,313 154.944,320 1.483,321 33.684,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.333,333 223,334 4.912,335 5.272,336 7.44,337 4.336,338 3.472,339 4.771,340 3.272,341 13.1,342 3.015,343 4.329,344 3.297,345 6.511,346 3.883,347 2.943,348 3.982,349 0.86,350 10.147,351 2.727,352 3.985,353 3,354 5.592,355 3.522,356 2.569,357 3.594,359 7.328,360 2.438,361 3.699,362 2.858,363 5.315,364 3.179,365 2.25,366 3.217,368 6.622,369 2.082,370 3.36,371 2.381,372 4.885,373 2.9,374 1.986,375 2.649,377 5.591,378 1.721,379 2.917,380 2.003,381 4.473,382 2.474,383 1.524,384 2.091,386 3.985,387 1.44,388 2.883,389 1.641,390 3.846,391 2.408,392 1.426,393 2.033,395 3.073,396 1.397,397 2.5,398 1.392,399 3.599,400 2,401 1,402 1.5,404 2.283,405 1,406 2.377,407 1,408 3.414,409 1.835,410 0.885,411 1.296,413 2.275,414 0.833,415 2.292,416 0.942,417 3.404,418 1.779,419 0.809,420 1.19,422 1.998,423 0.781,424 1.637,425 0.795,426 3.085,427 1.328,428 0.45,429 0.519,431 0.692,432 0.391,433 1.424,434 0.657,435 2.728,436 1.033,437 0.137,438 0.167,440 0.328,441 0.108,442 1,443 0.366,444 2.535,445 0.418,446 -0.515,447 -0.638,449 -1.048,450 -0.423,451 0.812,452 -0.108,453 2.214,454 0.179,455 -0.629,456 -0.771,458 -1.707,459 -0.485,460 0.672,461 -0.308,462 2,463 0.109,464 -0.862,465 -1.177,467 -2.005,468 -0.824,469 11.648,470 0.485,471 0.663,472 0.028,473 34.5,474 1.438,475 19.5,476 0.813,477 15,478 0.625,479 16.298,480 0.679,481 25.552,482 0.691,483 26.008,484 1.084,485 6.949,486 0.29,487 4.56,488 0.19,489 0.161,490 0.072,491 0.249,496 0.497,497 1.026,498 0.666,499 1.111,500 0.628,501 0.863,502 0.822,503 1.106,504 0.82,505 1.059,506 0.675,507 0.883,508 0.944,509 1.13,510 0.967,511 1.03,512 1.142,513 1.026,514 1.034,515 1.169,516 1.007,517 1.07,518 0.941,519 0.979,520 1.23,521 1.129,522 0.936,523 1.019,524 1.291,525 0.887,526 1.38,527 1.12,528 1.053,529 0.959,530 1.615,531 0.961,532 1.406,533 0.897,534 1.211,535 1.006,536 1.331,537 0.962,538 1.208,539 0.78,540 0.819,541 0.768,542 1.559,543 1.074,544 5.5,545 0.087,546 3.333,547 1.931,548 1.779,549 0.91,550 0.618,551 0.283,552 0.133,553 0.097,554 5787,555 21624,556 2.03,557 35.1,559 13,567 1.673,568 1.882,569 3.19,570 -0.617,571 1,572 1,575 73.286,576 1.981,577 3.544,578 4.162,579 4.703,580 4.757,581 4.757,582 2.705,583 4.335,584 4.556,585 3.324,586 917.447,587 7.884,588 10501.4,589 1,590 1,591 1,592 1,593 192.75,594 1.601,595 4.498,596 0.212,597 0.01,598 0.09,599 0.052,600 0.047,601 0.026,602 0.02,603 0.012,604 0.008,605 0.006,606 0.482,607 0.17,608 1,609 0.813,610 112.542,611 0.159,612 0.143,613 0.134,614 -0.062,615 -0.104,616 -0.007,617 0.078,618 -0.044,619 0.012,620 -0.057,621 0.155,622 0.008,623 0.052,624 -0.123,625 -0.027,626 -0.04,627 -0.076,628 -0.104,629 0.002,630 -0.12,631 -0.072,632 -0.082,633 0.113,634 -0.069,635 -0.178,636 -0.063,637 -0.036,638 -0.003,639 -0.103,640 0.039,641 -0.183,642 -0.087,643 -0.095,644 0.008,645 -0.163,646 -0.068,647 -0.259,648 0.139,649 -0.226,650 -0.05,651 -0.049,652 -0.05,653 -0.188,654 0.102,655 -0.091,656 0.03,657 -0.335,658 -0.115,659 4.675,660 5.704,661 0.708,662 18.583,663 1.033,664 1.123,665 3.49,666 12.179,667 0.722,668 3.296,669 3.638,670 3.892,671 4.159,672 4.317,673 4.304,674 4.344,675 4.344,676 4.357,677 4.344,678 5.51,679 0.699,680 364.84,681 3.296,682 4.844,683 5.694,684 6.589,685 7.461,686 8.361,687 9.243,688 10.146,689 11.033,690 11.938,691 10.8,699 1,701 3,709 8,710 3,714 5,715 1,716 17,735 1,737 1,738 37,739 19,740 2,741 26,743 39,744 15,745 13,746 4,747 8,752 3,753 3,754 1,768 13,769 2,772 2,776 1,778 2,785 1,786 1,789 13,790 6,792 9,793 2,797 4,803 1,804 3,822 1,823 2,855 3,857 1,859 1,860 1,862 24,865 1,869 1,872 1,885 1,886 8.1,889 2,891 1,893 12.75,894 7.026,895 5.292,896 1.938,898 3.189,899 1.462,900 0.983,901 4.739,902 10.092,903 3.624,904 4.28,905 4.815,906 5.403,907 5.852,908 6.032,909 6.307,910 6.619,911 6.881,912 7.091,913 1,914 37,915 9.075,917 4.149,918 8.057,919 16.321,921 13.262,924 2.557,925 61.361,929 153.024,930 109.018,931 51.521,932 39.149,933 55.313,935 6.046,936 102.972,937 247.486,938 51.521,939 10.883,940 0.9,941 81.856,942 94.057,943 28.156,945 153.024,946 39.149,947 153.024,948 154.493,949 55.313,950 45.195,952 153.024,953 55.313,956 3.369,957 101.379,958 94.939,960 153.024,961 106.833,962 148.167,964 6.046,965 153.024,966 16.279,967 88.47,969 144.205,970 153.024,971 106.833,972 148.167,973 0.583,974 0.344,975 0.189,976 0.101,977 18,978 8,979 0.128,980 5,982 1,983 3.495,984 196.907,986 17,987 104.039,992 1,993 16.743,994 6.793,995 3.551,997 105.057,998 13.465,999 10.981,1003 1.79,1004 1.157,1006 408.024,1007 36.5,1011 -3.758,1013 25.409,1020 38.207,1021 41.561,1022 0.38,1023 0.68,1024 0.799,1025 0.903,1026 0.913,1027 0.913,1028 4.854,1029 1,1030 5.72,1031 3.073,1032 4.317,1033 4.966,1034 3.174,1035 6.597,1036 4.156,1037 6.11,1038 0.885,1039 7.327,1040 2.283,1041 4.111,1042 5.037,1044 7.874,1045 3.741,1046 7.47,1047 0.809,1048 9.054,1049 2.275,1050 6.019,1051 7.311,1052 5.444,1053 10.942,1054 5.654,1055 8.878,1056 0.45,1057 10.857,1058 1.998,1059 6.648,1060 8.216,1062 13.052,1063 6.05,1064 10.323,1065 0.137,1066 12.71,1067 0.692,1068 8.079,1069 10.002,1070 7.807,1071 15.746,1072 7.459,1073 11.795,1074 -0.515,1075 14.598,1076 0.328,1077 9.056,1078 11.261,1080 18.144,1081 8.216,1082 13.289,1083 -0.629,1084 16.512,1085 -1.048,1086 10.334,1087 12.883,1088 10.177,1089 20.741,1090 9.427,1091 3.472,1092 -0.862,1093 18.444,1094 -1.707,1095 11.457,1096 14.299,1098 23.241,1099 10.352,1100 2.943,1101 13.1,1102 20.391,1103 -2.005,1104 12.69,1105 15.865,1106 12.548,1107 25.814,1108 11.483,1109 2.569,1110 10.147,1111 22.348,1112 4.771,1113 13.874,1114 17.354,1116 28.354,1117 12.488,1118 2.25,1119 7.328,1120 24.315,1121 3.982,1122 15.099,1123 18.905,1124 14.919,1125 30.921,1126 13.587,1127 1.986,1128 6.622,1129 26.288,1130 3.594,1131 16.311,1132 20.427,1134 33.478,1135 14.632,1136 1.524,1137 5.591,1138 28.267,1139 3.217,1140 17.538,1141 21.976,1142 17.29,1143 36.046,1144 15.721,1145 1.426,1146 3.985,1147 30.25,1148 2.649,1149 18.762,1150 23.516,1152 38.61,1153 16.787,1154 5710,1155 11209,1156 16.989,1157 26.699,1158 38.933,1159 41.005,1160 40.514,1161 39.109,1162 38.902,1163 54.018,1164 8.265,1165 114.846,1166 35.867,1167 5.753,1168 7.272,1169 7.132,1170 5.479,1171 5.472,1172 7.771,1173 6.545,1174 21.147,1175 5.015,1176 12.012,1177 1.497,1178 1.577,1179 1.558,1180 1.504,1181 1.496,1182 2.078,1183 0.318,1184 4.417,1185 1.38,1186 4.125,1187 4.129,1188 4.748,1189 4.08,1190 7.714,1191 3.997,1192 3.912,1193 3.935,1194 3.976,1195 3.833,1196 6.999,1197 3.834,1198 3.795,1199 3.799,1200 3.894,1201 3.749,1202 5.207,1203 3.693,1204 3.441,1205 3.48,1206 3.51,1207 3.144,1208 4.937,1209 3.184,1210 3.249,1211 3.315,1212 3.307,1213 2.967,1214 4.822,1215 2.977,1216 2.908,1217 2.925,1218 3.063,1219 2.812,1220 4.383,1221 2.783,1222 2.854,1223 2.917,1224 2.687,1225 2.735,1226 4.313,1227 2.715,1228 2.806,1229 2.877,1230 2.678,1231 2.661,1232 3.74,1233 2.648,1234 0.189,1235 0.203,1236 0.286,1237 0.167,1238 0.134,1239 4.912,1240 0.183,1241 5.272,1242 0.126,1243 7.44,1244 0.504,1245 4.336,1246 0.116,1247 3.472,1248 4.771,1249 3.272,1250 13.1,1251 3.015,1252 1.959,1253 1.962,1254 2.003,1255 2.045,1256 1.265,1257 2.068,1258 1.885,1259 1.861,1260 1.986,1261 1.979,1262 1.079,1263 1.988,1264 1.654,1265 1.685,1266 1.573,1267 1.748,1268 0.887,1269 1.794,1270 1.198,1271 1.125,1272 1.48,1273 1.514,1274 0.574,1275 1.533,1276 1.098,1277 1.033,1278 1.241,1279 1.431,1280 0.374,1281 1.356,1282 0.914,1283 0.855,1284 1.181,1285 1.245,1286 0.218,1287 1.199,1288 0.886,1289 0.821,1290 1.095,1291 1.062,1292 0.169,1293 1.107,1294 0.807,1295 0.733,1296 0.928,1297 1.001,1298 0.059,1299 1.041,1300 3.97,1302 5.303,1303 2.398,1304 6.834,1305 4.595,1306 8.455,1307 6.629,1308 10.122,1310 1.491,1311 5.821,1315 -0.236,1318 5.242,1326 25.879,1327 73.286,1328 131.14,1329 153.995,1330 173.995,1331 175.995,1332 175.995,1333 47.993,1334 6.903,1335 86.97,1336 95.35,1337 17,1338 12.46,1339 4.322,1340 3.524,1341 39.095,1342 77,1343 90,1344 0.249,1345 167.686,1346 281.25,1347 400.914,1348 8543,1349 2.7,1350 17.156,1351 0.715,1352 0.592,1353 17.906,1354 14.198,1355 11.509,1356 0.443,1357 0.343,1358 6.945,1359 9.923,1360 6.6,1361 5.492,1362 12.619,1363 8.931,1364 10.636,1365 0.287,1366 0.196,1367 12.326,1368 7.25,1369 8.566,1370 0.178,1371 0.106,1372 9.943,1373 5.079,1374 7.207,1375 0.114,1376 0.058,1377 8.563,1378 3.639,1379 5.582,1380 0.075,1381 0.034,1382 6.86,1383 2.506,1384 0.38,1385 84.503,1386 0.243,1387 23.095,1388 0.713,1389 126,1390 460.851,1391 193.554,1392 490.699,1393 648.71,1394 450,1395 148,1396 432.636,1397 220.611,1398 476.877,1399 686.92,1400 442,1401 4.763}
{0 CHEMBL1347846,1 1.65,2 11.107,3 3.111,4 9.68,5 103.163,6 7.926,7 0.6,8 3.986,9 4.088,10 3.59,11 3.456,12 5.236,13 3.477,14 4.443,15 4.593,16 3.908,17 3.769,18 5.665,19 3.785,20 4.547,21 4.68,22 4.023,23 3.898,24 5.786,25 3.907,26 4.666,27 4.82,28 4.021,29 3.929,30 5.92,31 3.916,32 4.78,33 4.969,34 3.898,35 3.938,36 5.9,37 3.903,38 4.722,39 4.925,40 3.766,41 3.895,42 5.869,43 3.817,44 4.714,45 4.984,46 3.629,47 3.777,48 5.736,49 3.665,50 4.49,51 4.75,52 3.561,53 3.595,54 5.507,55 3.523,56 0.122,57 0.687,58 8.956,59 4.083,60 13.573,61 4.808,62 0.447,63 1.008,64 17.097,65 6.475,66 35.161,67 7.638,68 0.464,69 1.141,70 17.629,71 6.879,72 30.825,73 8.451,74 0.507,75 1.237,76 20.721,77 7.9,78 44.877,79 9.963,80 0.675,81 1.31,82 26.06,83 8.238,84 53.71,85 10.318,86 0.562,87 1.272,88 23.953,89 8.182,90 55.01,91 10.941,92 0.609,93 1.181,94 27.162,95 8.614,96 59.652,97 12.808,98 0.412,99 0.967,100 21.103,101 6.695,102 40.976,103 9.875,104 35,105 41,106 0.279,107 0.599,108 0.714,109 0.786,110 0.803,111 0.832,112 3.374,113 0.833,114 -3.69,115 -3.66,116 -3.48,120 41.7,125 3,136 2,143 6,144 2,145 4,150 2,151 1,164 1,165 1,166 1,174 8,176 3,177 6,179 2,180 2,182 2,185 8,188 2,189 8,194 2,197 4,200 1,201 13,203 1,204 3,206 3,209 1,211 2,214 11,219 2,222 2,224 2,227 4,230 1,231 1,232 4,234 1,235 4,237 3,239 4,240 3,245 4,247 6,249 3,251 2,257 1,260 5,263 2,264 2,266 2,267 2,269 2,271 5,274 1170,275 19.058,276 19.058,277 19.058,278 19.058,279 19.058,280 16.738,281 15.471,282 11.164,283 19.815,284 14.619,285 14.619,286 14.619,287 14.619,288 14.619,289 10.929,290 14.991,291 5.026,292 15.589,293 3.935,294 2.048,295 1.366,296 0.943,297 0.844,298 0.672,299 4.055,305 1,306 1,307 1,308 652,309 3.082,313 291.273,320 1.543,321 29.888,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 62,333 311,334 4.429,335 3.366,336 6.523,337 4.012,338 3.064,339 4.123,340 0.86,341 10.257,342 2.914,343 4.402,344 3.1,345 6.471,346 3.989,347 3.033,348 4.089,349 0.86,350 10.055,351 2.894,352 4.002,353 2.681,354 5.582,355 3.536,356 2.596,357 3.588,358 0.86,359 7.589,360 2.434,361 3.653,362 2.555,363 5.289,364 3.245,365 2.275,366 3.015,368 6.737,369 2.194,370 3.355,371 2.375,372 5.19,373 2.972,374 2.061,375 2.604,377 6.118,378 1.867,379 3.312,380 2.042,381 4.923,382 2.884,383 1.947,384 2.587,386 5.561,387 1.824,388 3.239,389 1.987,390 4.734,391 2.794,392 1.859,393 2.509,395 5.126,396 1.731,397 2.861,398 1.904,399 3.88,400 2.392,401 1.414,402 2.016,404 3.1,405 1.376,406 2.569,407 1.514,408 3.806,409 2.047,410 1.171,411 1.59,413 2.717,414 1.038,415 2.425,416 1.077,417 3.581,418 1.996,419 1.064,420 1.291,422 2.504,423 0.967,424 2.121,425 1.026,426 3.186,427 1.596,428 0.648,429 0.949,431 1.441,432 0.61,433 1.576,434 0.916,435 2.859,436 1.27,437 0.396,438 0.452,440 0.603,441 0.342,442 1.405,443 0.644,444 2.667,445 1.147,446 0.302,447 0.328,449 0.389,450 0.254,451 1.166,452 0.122,453 2.549,454 0.777,455 -0.153,456 -0.192,458 -0.351,459 -0.141,460 0.982,461 0.1,462 2.475,463 0.613,464 -0.317,465 -0.383,467 -0.653,468 -0.291,469 12.933,470 0.462,471 0.622,472 0.022,473 40.5,474 1.446,475 22,476 0.786,477 18.5,478 0.661,479 19.142,480 0.684,481 30.267,482 0.631,483 32.31,484 1.154,485 8.534,486 0.305,487 5.015,488 0.179,489 0.173,491 0.348,496 0.987,497 1.318,498 0.763,499 1.129,500 1.083,501 0.931,502 1.199,503 0.764,504 0.782,505 0.756,506 0.796,507 0.704,508 0.948,509 1.21,510 0.865,511 1.063,512 0.956,513 0.958,514 0.928,515 1.273,516 0.966,517 1.231,518 0.886,519 1.133,520 1.498,521 1.052,522 1.238,523 0.948,524 1.138,525 1.019,526 1.009,527 1.176,528 1.234,529 1.168,530 0.933,531 1.235,532 0.557,533 0.891,534 0.821,535 0.879,536 0.835,537 0.906,538 0.601,539 0.942,540 0.708,541 0.859,542 0.747,543 0.808,544 6,545 0.219,546 2.889,547 2.313,548 1.92,549 0.924,550 0.489,551 0.307,552 0.28,553 0.257,554 9372,555 29040,556 2.013,557 41.7,559 17,562 3,567 1.711,568 1.867,569 3.434,570 0.953,571 1,572 1,575 79.201,576 1.65,577 3.537,578 4.219,579 4.642,580 4.741,581 4.913,582 2.826,583 4.352,584 4.784,585 3.6,586 1360.84,587 8.316,588 18254.2,590 1,592 1,593 268.078,594 1.47,595 4.727,596 0.2,597 0.009,598 0.07,599 0.051,600 0.045,601 0.024,602 0.015,603 0.011,604 0.01,605 0.009,606 0.445,607 0.33,608 1,609 0.961,610 141.075,611 -0.117,612 -0.158,613 0.029,614 -0.079,615 -0.218,616 -0.002,617 -0.073,618 0.298,619 0.139,620 0.243,621 0.048,622 0.225,623 0.049,624 -0.107,625 0.003,626 -0.054,627 -0.033,628 -0.032,629 0.072,630 -0.215,631 -0.063,632 -0.234,633 0.102,634 -0.193,635 -0.333,636 -0.05,637 -0.256,638 0.007,639 -0.215,640 -0.088,641 -0.119,642 -0.156,643 -0.289,644 -0.197,645 -0.057,646 -0.27,647 0.175,648 0.024,649 0.209,650 0.094,651 0.087,652 0.143,653 0.138,654 0.001,655 0.308,656 0.111,657 0.083,658 0.226,659 1.613,660 4.019,661 0.643,662 24.786,663 1.016,664 1.128,665 2.464,666 6.072,667 0.665,668 3.434,669 3.738,670 4.007,671 4.263,672 4.443,673 4.431,674 4.466,675 4.511,676 4.585,677 4.644,678 6.687,679 0.649,680 380.44,681 3.434,682 4.963,683 5.808,684 6.683,685 7.544,686 8.422,687 9.287,688 10.166,689 11.031,690 11.91,691 8.3,695 1,701 3,707 1,709 6,710 3,714 9,716 18,728 1,734 1,735 3,738 48,739 19,740 2,741 30,743 50,744 20,745 15,746 6,747 6,748 2,752 3,753 3,768 17,769 3,772 1,780 2,785 1,786 1,789 20,790 8,791 3,792 8,797 4,803 1,804 4,823 3,845 2,855 3,859 3,862 28,863 1,868 1,872 3,886 8.3,888 1,891 3,893 15,894 9.55,895 6.444,896 2.419,898 3.938,899 1.542,900 0.939,901 6.213,902 11.2,903 3.714,904 4.324,905 4.933,906 5.511,907 6.063,908 6.294,909 6.668,910 7.018,911 7.441,912 7.816,913 1,914 45,915 10.239,917 4.194,918 7.875,919 18.993,921 14.545,924 2.375,925 66.5,928 1,929 200.109,930 137.116,931 83.254,933 75.683,936 137.116,937 275.792,938 83.254,939 32.649,941 108.707,942 93.04,943 59.757,944 1.899,945 200.109,947 200.109,948 220.369,949 75.683,952 204.765,953 75.683,956 1.899,957 144.505,958 69.309,960 200.109,961 158.937,962 137.116,965 200.109,966 28.656,967 108.459,969 158.937,970 200.109,971 158.937,972 137.116,973 0.569,974 0.35,975 0.199,976 0.106,977 18,978 9,979 0.12,980 6,982 1,983 3.874,984 235.597,986 18,987 126.606,993 19.766,994 8.801,995 4.48,997 158.937,998 10.352,999 12.588,1003 3.586,1005 75.581,1006 496.161,1007 40,1015 3.468,1020 48.785,1021 54.152,1022 0.295,1023 0.633,1024 0.755,1025 0.831,1026 0.849,1027 0.88,1028 4.931,1029 1.414,1030 5.79,1031 5.126,1032 4.419,1033 5.011,1034 1.693,1035 6.597,1036 4.301,1037 6.148,1038 1.171,1039 7.348,1040 3.1,1041 4.007,1042 4.808,1044 7.496,1045 3.835,1046 7.458,1047 1.064,1048 9.003,1049 2.717,1050 6.009,1051 7.23,1052 1.454,1053 10.581,1054 5.796,1055 8.805,1056 0.648,1057 10.716,1058 2.504,1059 6.399,1060 7.812,1062 12.287,1063 6.121,1064 10.18,1065 0.396,1066 12.465,1067 1.441,1068 7.869,1069 9.707,1070 1.232,1071 14.891,1072 7.565,1073 11.576,1074 0.302,1075 14.239,1076 0.603,1077 8.638,1078 10.673,1080 16.944,1081 8.268,1082 12.988,1083 -0.153,1084 16.032,1085 0.389,1086 9.892,1087 12.329,1088 1.028,1089 19.374,1090 9.494,1091 3.064,1092 -0.317,1093 17.84,1094 -0.351,1095 10.844,1096 13.498,1098 21.578,1099 10.383,1100 3.033,1101 10.257,1102 19.659,1103 -0.653,1104 12.009,1105 15.035,1106 0.845,1107 23.941,1108 11.514,1109 2.596,1110 10.055,1111 21.487,1112 4.123,1113 13.045,1114 16.313,1116 26.21,1117 12.493,1118 2.275,1119 7.589,1120 23.323,1121 4.089,1122 14.175,1123 17.788,1124 0.684,1125 28.546,1126 13.584,1127 2.061,1128 6.737,1129 25.165,1130 3.588,1131 15.251,1132 19.125,1134 30.843,1135 14.606,1136 1.947,1137 6.118,1138 27.012,1139 3.015,1140 16.368,1141 20.568,1142 0.546,1143 33.17,1144 15.68,1145 1.859,1146 5.561,1147 28.864,1148 2.604,1149 17.463,1150 21.938,1152 35.479,1153 16.724,1154 9252,1155 16426,1156 19.592,1157 31.932,1158 44.032,1159 44.815,1160 46.445,1161 43.576,1162 43.659,1163 58.284,1164 5.16,1165 124.393,1166 40.893,1167 5.092,1168 5.366,1169 6.208,1170 5.112,1171 5.064,1172 7.123,1173 1.72,1174 17.178,1175 4.914,1176 15.571,1177 1.468,1178 1.494,1179 1.548,1180 1.453,1181 1.455,1182 1.943,1183 0.172,1184 4.146,1185 1.363,1186 4.003,1187 4.032,1188 3.969,1189 3.903,1190 6.469,1191 3.913,1192 3.918,1193 3.932,1194 3.882,1195 3.837,1196 5.257,1197 3.842,1198 3.716,1199 3.765,1200 3.674,1201 3.536,1202 4.978,1203 3.567,1204 3.377,1205 3.424,1206 3.285,1207 3.194,1208 4.757,1209 3.213,1210 3.303,1211 3.355,1212 3.144,1213 3.006,1214 4.581,1215 3.026,1216 3.214,1217 3.29,1218 2.996,1219 2.913,1220 4.58,1221 2.915,1222 3.091,1223 3.182,1224 2.904,1225 2.866,1226 4.466,1227 2.857,1228 2.997,1229 3.075,1230 2.889,1231 2.79,1232 4.32,1233 2.806,1234 0.148,1235 0.112,1236 0.217,1237 0.134,1238 0.102,1239 4.429,1240 0.137,1241 3.366,1242 0.029,1243 6.523,1244 0.342,1245 4.012,1246 0.097,1247 3.064,1248 4.123,1249 0.86,1250 10.257,1251 2.914,1252 1.929,1253 1.909,1254 2.01,1255 2.052,1256 1.112,1257 2.035,1258 1.889,1259 1.874,1260 1.976,1261 1.994,1262 1.071,1263 1.984,1264 1.63,1265 1.584,1266 1.718,1267 1.835,1268 0.697,1269 1.808,1270 1.314,1271 1.267,1272 1.59,1273 1.558,1274 0.584,1275 1.565,1276 1.227,1277 1.163,1278 1.573,1279 1.558,1280 0.571,1281 1.563,1282 1.169,1283 1.084,1284 1.552,1285 1.5,1286 0.547,1287 1.521,1288 1.085,1289 0.999,1290 1.38,1291 1.339,1292 0.362,1293 1.363,1294 0.933,1295 0.866,1296 1.173,1297 1.2,1298 0.165,1299 1.198,1300 4.111,1302 5.416,1304 6.929,1306 8.538,1308 10.196,1310 4.649,1313 5.811,1314 10.019,1318 16.026,1326 31.159,1327 79.201,1328 169.774,1329 202.529,1330 222.794,1331 227.549,1332 235.814,1333 47.48,1334 7.262,1335 112.61,1336 112.61,1337 18,1338 12.449,1339 4.322,1340 3.459,1341 49.717,1342 115,1343 94,1344 0.214,1345 194.325,1346 337.54,1347 465.914,1348 13707,1350 20.096,1351 0.718,1352 0.561,1353 20.096,1354 15.71,1355 13.55,1356 0.452,1357 0.278,1358 8.139,1359 12.803,1360 7.872,1361 6.626,1362 13.55,1363 8.334,1364 11.688,1365 0.285,1366 0.139,1367 11.688,1368 5.685,1369 9.847,1370 0.182,1371 0.073,1372 9.847,1373 3.927,1374 8.433,1375 0.12,1376 0.038,1377 8.433,1378 2.635,1379 6.621,1380 0.079,1381 0.021,1382 6.621,1383 1.722,1384 0.337,1385 86.734,1386 0.226,1387 26.72,1388 0.581,1389 142,1390 491.604,1391 160.205,1392 464.774,1393 633.37,1394 436,1395 166,1396 463.962,1397 184.344,1398 471.835,1399 684.86,1400 438,1401 4.443}
{0 CHEMBL1348336,1 1.462,2 12.32,3 5.963,4 35.554,5 108.85,6 7.458,7 0.444,8 3.912,9 4.028,10 3.532,11 3.569,12 4.97,13 3.492,14 4.423,15 4.59,16 3.876,17 3.929,18 5.438,19 3.826,20 4.641,21 4.854,22 3.797,23 3.992,24 5.645,25 3.859,26 4.649,27 4.886,28 3.712,29 3.925,30 5.631,31 3.764,32 4.514,33 4.747,34 3.602,35 3.814,36 5.49,37 3.651,38 4.36,39 4.575,40 3.497,41 3.697,42 5.39,43 3.571,44 4.346,45 4.564,46 3.449,47 3.682,48 5.358,49 3.554,50 4.352,51 4.576,52 3.43,53 3.641,54 5.392,55 3.491,56 0.037,57 0.628,58 10.09,59 4.617,60 7.133,61 6.02,62 0.134,63 1.063,64 20.537,65 7.931,66 15.941,67 10.353,68 0.167,69 1.267,70 25.08,71 9.695,72 31.594,73 12.659,74 0.215,75 1.254,76 27.129,77 10.06,78 37.484,79 12.825,80 0.174,81 1.102,82 26.124,83 9.551,84 30.749,85 11.701,86 0.2,87 0.929,88 19.415,89 7.384,90 29.07,91 9.528,92 0.111,93 0.878,94 17.291,95 7.332,96 24.719,97 9.787,98 0.219,99 0.886,100 19.007,101 7.424,102 36.355,103 9.692,104 11,105 36,106 0.25,107 0.588,108 0.78,109 0.86,110 0.87,111 0.87,112 3.266,113 1.055,114 -5.3,115 -5.19,116 -4.85,120 44.7,121 2,122 1,126 1,128 1,136 2,143 8,144 3,145 1,158 1,160 1,174 14,177 4,180 1,182 3,185 16,189 4,194 2,197 15,201 5,206 2,209 13,214 4,219 1,222 10,227 3,230 1,232 1,235 11,240 2,245 1,247 14,251 1,252 2,257 1,260 12,264 1,269 2,271 6,274 961,275 16.972,276 16.972,277 16.972,278 16.972,279 16.972,280 15.043,281 13.71,282 10.11,283 17.259,284 13.271,285 13.271,286 13.271,287 13.271,288 13.271,289 10.284,290 15.142,291 4.768,292 13.758,293 4.092,294 2.112,295 0.984,296 0.516,297 0.458,298 0.458,299 3.948,307 1,308 656,309 3.162,312 81.641,313 187.071,320 2.227,321 16.08,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52,333 308,334 4.224,335 4.531,336 6.033,337 3.854,338 2.854,339 3.806,340 3.655,341 8.614,342 2.876,343 4.067,344 3.489,345 5.706,346 3.668,347 2.743,348 3.673,349 0.683,350 8.045,351 2.642,352 3.999,353 2.927,354 5.5,355 3.624,356 2.636,357 3.297,358 0.267,359 7.43,360 2.486,361 3.676,362 2.725,363 5.298,364 3.336,365 2.358,366 3.001,368 6.821,369 2.298,370 3.364,371 2.521,372 4.764,373 2.988,374 1.992,375 2.635,377 5.341,378 1.985,379 3.032,380 2.348,381 4.735,382 2.755,383 1.83,384 2.088,386 5.185,387 1.67,388 2.878,389 2.115,390 4.152,391 2.41,392 1.407,393 1.926,395 3.707,396 1.397,397 2.668,398 1.882,399 3.484,400 2.191,401 1.188,402 1.732,404 2.604,405 1.19,406 2.5,407 1.251,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.241,416 1,417 3.288,418 1.617,419 0.781,420 0.838,422 1.792,423 0.633,424 1.902,425 0.85,426 3.063,427 1.499,428 0.479,429 0.77,431 1.11,432 0.485,433 1.463,434 0.827,435 2.85,436 1.28,437 0.344,438 0.361,440 0.531,441 0.322,442 1.199,443 0.484,444 2.494,445 0.896,446 -0.059,447 -0.072,449 -0.145,450 -0.056,451 0.96,452 0.006,453 2.254,454 0.604,455 -0.398,456 -0.506,458 -0.881,459 -0.399,460 0.743,461 -0.13,462 2,463 0.375,464 -0.64,465 -0.797,467 -1.683,468 -0.64,469 12.467,470 0.499,471 0.537,472 0.021,473 31.75,474 1.27,475 17,476 0.68,477 14.75,478 0.59,479 20.038,480 0.802,481 25.933,482 0.552,483 20.973,484 0.839,485 5.904,486 0.236,487 6.231,488 0.249,489 0.107,491 0.281,496 0.688,497 1.067,498 0.787,499 0.903,500 0.62,501 0.914,502 0.647,503 1.172,504 0.99,505 1.127,506 0.584,507 1,508 1.106,509 1.096,510 1.023,511 1.034,512 0.931,513 1.048,514 1.365,515 0.96,516 1.068,517 0.967,518 1.288,519 0.981,520 1.212,521 1.02,522 1.278,523 1.138,524 1.175,525 0.976,526 1.235,527 0.904,528 1.018,529 0.945,530 1.324,531 0.952,532 1.074,533 0.957,534 0.758,535 0.894,536 1.273,537 0.983,538 1.163,539 0.958,540 0.867,541 0.949,542 1.556,543 1.027,544 5.5,545 0.107,546 2.222,547 1.444,548 0.969,549 0.632,550 0.416,551 0.246,552 0.213,553 0.138,554 8210,555 19319,556 2.062,557 46.8,558 6,559 13,562 1,564 2,567 1.672,568 1.948,569 3.591,570 -0.396,575 68.72,576 1.462,577 3.442,578 4.57,579 5.038,580 5.097,581 5.097,582 3.133,583 4.294,584 4.613,585 3.772,586 1131.72,587 7.937,588 14628.6,593 261.066,594 1.323,595 4.583,596 0.204,597 0.008,598 0.062,599 0.044,600 0.035,601 0.024,602 0.017,603 0.01,604 0.01,605 0.008,606 0.421,607 0.33,608 1,609 0.739,610 124.304,611 -0.01,612 -0.006,613 0.063,614 0.051,615 -0.058,616 0.037,617 0.151,618 -0.12,619 0.035,620 -0.101,621 0.076,622 -0.029,623 -0.084,624 -0.076,625 -0.09,626 -0.091,628 -0.095,629 -0.133,630 0.044,631 -0.041,632 0.017,633 -0.06,634 -0.018,635 -0.066,636 -0.012,637 -0.076,638 -0.039,639 -0.003,640 0.019,641 0.021,642 0.094,643 -0.068,644 0.006,645 -0.008,646 0.002,647 -0.019,648 -0.04,649 0.022,650 -0.011,651 0.007,652 -0.016,653 0.095,654 -0.025,655 0.013,656 -0.026,657 -0.047,658 -0.063,659 1.66,660 5.306,661 0.68,662 27.018,663 0.988,664 1.112,665 4.07,666 16.565,667 0.696,668 3.332,669 3.611,670 3.807,671 3.989,672 4.111,673 4.094,674 4.143,675 4.19,676 4.263,677 4.344,678 7.258,679 0.643,680 350.52,681 3.332,682 4.844,683 5.659,684 6.503,685 7.33,686 8.174,687 9.005,688 9.85,689 10.683,690 11.528,691 4.3,696 1,700 1,709 8,714 4,716 12,721 1,729 1,738 47,739 15,740 2,741 27,743 49,744 21,745 12,746 4,747 8,748 3,752 3,753 3,759 2,763 1,766 2,768 16,769 5,772 3,778 1,780 2,781 1,782 2,789 22,790 3,791 1,792 4,793 1,797 2,803 1,804 1,822 1,823 2,845 2,855 3,856 1,857 1,859 2,862 25,869 2,871 1,873 1,874 1,886 2.1,889 1,893 12.833,894 8.95,895 5.611,896 2.943,898 2.947,899 1.425,900 0.974,901 5.853,902 9.878,903 3.611,904 4.143,905 4.649,906 5.124,907 5.587,908 5.703,909 6.017,910 6.283,911 6.615,912 6.892,913 1,914 33,915 9.244,917 3.816,918 7.607,919 17.958,921 14.511,924 2.107,925 52.667,929 247.193,930 166.207,931 34.796,933 25.145,935 32.22,936 133.987,937 272.338,938 34.796,939 17.65,940 3.434,941 94.762,942 48.289,943 29.099,944 0.693,945 279.413,947 247.193,948 168.783,949 25.145,950 32.22,952 223.651,953 48.687,956 37.87,957 93.95,958 36.963,959 32.22,960 247.193,961 59.941,962 166.207,965 247.193,966 53.794,967 112.413,968 18.011,969 41.93,970 247.193,971 59.941,972 166.207,973 0.572,974 0.325,975 0.165,976 0.085,977 16,978 7,979 0.122,980 6,982 1,983 3.885,984 189.797,986 17,987 108.096,989 1,993 17.66,994 8.286,995 4.913,997 59.941,998 15.638,1003 3.862,1005 18.011,1006 473.341,1007 36,1013 12.306,1015 3.482,1016 4.62,1017 0.969,1020 46.443,1021 52.278,1022 0.263,1023 0.62,1024 0.823,1025 0.907,1026 0.918,1027 0.918,1028 4.82,1029 1.188,1030 5.617,1031 3.707,1032 4.29,1033 4.828,1034 3.326,1035 6.337,1036 4.231,1037 6.003,1038 1,1039 7.12,1040 2.604,1041 3.761,1042 4.443,1043 1.998,1044 7.018,1045 3.699,1046 7.279,1047 0.781,1048 8.713,1049 2.275,1050 5.808,1051 6.915,1052 5.789,1053 10.025,1054 5.702,1055 8.587,1056 0.479,1057 10.354,1058 1.792,1059 6.066,1060 7.302,1061 4.966,1062 11.48,1063 5.955,1064 9.921,1065 0.344,1066 12.027,1067 1.11,1068 7.557,1069 9.237,1070 8.333,1071 13.963,1072 7.418,1073 11.273,1074 -0.059,1075 13.72,1076 0.531,1077 8.185,1078 10,1079 7.844,1080 15.758,1081 8.04,1082 12.638,1083 -0.398,1084 15.427,1085 -0.145,1086 9.432,1087 11.68,1088 10.884,1089 18.035,1090 9.269,1091 2.854,1092 -0.64,1093 17.146,1094 -0.881,1095 10.247,1096 12.653,1097 10.641,1098 19.994,1099 10.082,1100 2.743,1101 8.614,1102 18.873,1103 -1.683,1104 11.377,1105 14.193,1106 13.438,1107 22.183,1108 11.201,1109 2.636,1110 8.045,1111 20.607,1112 3.806,1113 12.291,1114 15.293,1115 13.389,1116 24.224,1117 12.114,1118 2.358,1119 7.43,1120 22.347,1121 3.673,1122 13.365,1123 16.749,1124 15.994,1125 26.375,1126 13.184,1127 1.992,1128 6.821,1129 24.091,1130 3.297,1131 14.331,1132 17.929,1133 16.103,1134 28.458,1135 14.151,1136 1.83,1137 5.341,1138 25.84,1139 3.001,1140 15.378,1141 19.334,1142 18.552,1143 30.594,1144 15.199,1145 1.407,1146 5.185,1147 27.593,1148 2.635,1149 16.372,1150 20.565,1151 18.795,1152 32.7,1153 16.197,1154 7929,1155 12298,1156 18.087,1157 32.728,1158 40.027,1159 43.227,1160 40.574,1161 39.156,1162 39.223,1163 51.254,1164 9.209,1165 106.911,1166 37.97,1167 5.136,1168 6.531,1169 5.594,1170 4.956,1171 4.854,1172 6.806,1173 7.134,1174 14.604,1175 4.876,1176 11.45,1177 1.482,1178 1.601,1179 1.503,1180 1.45,1181 1.453,1182 1.898,1183 0.341,1184 3.96,1185 1.406,1186 3.992,1187 4.019,1188 4.041,1189 3.931,1190 7.428,1191 3.926,1192 3.901,1193 3.933,1194 3.903,1195 3.842,1196 4.809,1197 3.836,1198 3.778,1199 3.823,1200 3.815,1201 3.7,1202 4.754,1203 3.657,1204 3.492,1205 3.528,1206 3.413,1207 3.378,1208 4.578,1209 3.379,1210 3.306,1211 3.382,1212 3.24,1213 3.181,1214 4.169,1215 3.13,1216 3.158,1217 3.233,1218 3.014,1219 3.012,1220 3.999,1221 2.993,1222 3.006,1223 3.078,1224 2.876,1225 2.863,1226 3.86,1227 2.855,1228 2.854,1229 2.925,1230 2.693,1231 2.735,1232 3.706,1233 2.715,1234 0.156,1235 0.168,1236 0.223,1237 0.143,1238 0.106,1239 4.224,1240 0.141,1241 4.531,1242 0.135,1243 6.033,1244 0.319,1245 3.854,1246 0.107,1247 2.854,1248 3.806,1249 3.655,1250 8.614,1251 2.876,1252 1.958,1253 1.935,1254 2.067,1255 2.036,1256 1.219,1257 2.046,1258 1.895,1259 1.87,1260 2.001,1261 1.98,1262 1.166,1263 1.991,1264 1.661,1265 1.596,1266 1.914,1267 1.838,1268 1.094,1269 1.868,1270 1.477,1271 1.446,1272 1.654,1273 1.629,1274 0.737,1275 1.633,1276 1.242,1277 1.204,1278 1.492,1279 1.436,1280 0.71,1281 1.455,1282 1.165,1283 1.098,1284 1.475,1285 1.372,1286 0.53,1287 1.425,1288 1.131,1289 1.04,1290 1.273,1291 1.337,1292 0.387,1293 1.379,1294 0.895,1295 0.863,1296 1.181,1297 1.067,1298 0.218,1299 1.107,1300 4.007,1302 5.293,1303 2.398,1304 6.756,1305 4.595,1306 8.292,1307 6.555,1308 9.864,1310 4.197,1315 2.109,1317 3.319,1319 1.748,1320 0.417,1326 30.213,1327 68.72,1328 161.793,1329 214.801,1330 236.801,1331 239.556,1332 239.556,1333 39.752,1334 6.931,1335 41.46,1336 66.76,1337 17,1338 12.092,1339 4,1340 3.322,1341 42.162,1342 109,1343 105,1344 0.186,1345 192.399,1346 338.52,1347 461.213,1348 9695,1350 17.648,1351 0.706,1352 0.614,1353 18.002,1354 15.345,1355 12.135,1356 0.449,1357 0.352,1358 8.545,1359 11.491,1360 8.153,1361 6.846,1362 12.589,1363 9.491,1364 10.662,1365 0.296,1366 0.198,1367 11.24,1368 7.13,1369 8.665,1370 0.197,1371 0.116,1372 9.323,1373 5.106,1374 6.784,1375 0.128,1376 0.069,1377 7.534,1378 3.65,1379 5.045,1380 0.084,1381 0.037,1382 5.572,1383 2.2,1384 0.303,1385 78.747,1386 0.235,1387 25.051,1388 0.48,1389 126,1390 318.574,1391 155.662,1392 338.672,1393 464.19,1394 318,1395 143,1396 324.412,1397 167.641,1398 346.637,1399 501.42,1400 326,1401 4.89}
{0 CHEMBL1348808,1 2.108,2 9.381,3 3.589,4 12.883,5 85.62,6 11.136,7 0.5,8 3.577,9 3.674,10 3.46,11 3.136,12 4.867,13 3.139,14 4.02,15 4.137,16 3.87,17 3.475,18 5.381,19 3.462,20 4.144,21 4.272,22 4.012,23 3.586,24 5.504,25 3.516,26 4.17,27 4.316,28 3.871,29 3.465,30 5.63,31 3.398,32 4.025,33 4.177,34 3.724,35 3.416,36 5.315,37 3.301,38 3.992,39 4.175,40 3.755,41 3.314,42 5.372,43 3.198,44 3.783,45 3.969,46 3.553,47 3.168,48 5.025,49 3.076,50 3.689,51 3.821,52 3.315,53 3.07,54 5.026,55 3.006,56 0.182,57 0.47,58 1.753,59 2.224,60 9.267,61 2.011,62 0.427,63 0.689,64 6.242,65 3.88,66 29.373,67 3.623,68 0.434,69 0.74,70 15.306,71 5.317,72 32.42,73 4.734,74 0.669,75 0.724,76 13.737,77 5.133,78 58.151,79 4.538,80 0.433,81 0.7,82 13.859,83 5.298,84 40.351,85 4.479,86 0.435,87 0.641,88 18.783,89 5.229,90 42.116,91 4.076,92 0.34,93 0.47,94 14.213,95 4.143,96 34.326,97 4.258,98 0.266,99 0.447,100 8.92,101 3.443,102 18.206,103 2.878,104 28,105 30,106 0.397,107 0.762,108 0.84,109 0.893,110 0.905,111 0.905,112 3.102,113 0.931,114 -3.98,115 -3.93,116 -3.73,120 38.7,125 1,143 3,144 1,145 3,148 1,152 1,159 1,160 1,170 1,174 1,176 1,177 3,180 1,181 1,182 4,185 3,193 1,194 1,197 5,200 2,204 5,206 4,209 1,218 1,219 2,227 2,230 2,232 1,235 2,240 1,245 3,247 1,252 5,257 1,260 1,264 3,269 1,271 1,274 555,275 13.801,276 13.801,277 13.801,278 13.801,279 13.801,280 12.104,281 17.091,282 8.062,283 14.46,284 10.75,285 10.75,286 10.75,287 10.75,288 10.75,289 8.14,290 23.27,291 3.72,292 11.834,293 2.846,294 0.912,295 0.5,296 0.218,297 0.153,298 0.153,299 3.755,303 2,305 1,306 1,307 1,308 403,309 3.391,312 66.074,313 74.561,320 1.41,321 24.519,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46.667,333 197,334 4.364,335 3.806,336 6.461,337 3.982,338 3.014,339 3.98,340 1.762,341 9.982,342 2.917,343 4.221,344 3.664,345 5.957,346 3.745,347 2.839,348 3.873,349 1.674,350 8.373,351 2.556,352 3.731,353 3.309,354 5.412,355 3.304,356 2.429,357 2.992,358 0.247,359 7.002,360 2.078,361 3.428,362 2.661,363 5.096,364 3.011,365 2.076,366 2.659,368 5.944,369 1.878,370 3.248,371 2.415,372 4.626,373 2.709,374 1.804,375 2.445,377 4.768,378 1.59,379 2.82,380 2.126,381 4.04,382 2.306,383 1.414,384 1.948,386 3.522,387 1.198,388 2.569,389 1.462,390 3.773,391 2.061,392 1.139,393 1.582,395 2.753,396 1.043,397 2.306,398 1.412,399 3.393,400 1.836,401 0.891,402 1.196,404 2.024,405 0.832,406 1.531,407 1.03,408 2.939,409 1.105,410 0.273,411 0.326,413 0.623,414 0.191,415 1.467,416 0.884,417 2.442,418 1.072,419 0.151,420 0.185,422 0.209,423 0.136,424 1.03,425 0.574,426 2.375,427 0.629,428 -0.217,429 -0.251,431 -0.567,432 -0.165,433 0.959,434 0.177,435 2.32,436 0.361,437 -0.468,438 -0.621,440 -1.136,441 -0.361,442 0.621,443 -0.144,444 1.917,445 0.079,446 -0.789,447 -1.04,449 -2.008,450 -0.546,451 0.26,452 -0.232,453 1.527,454 -0.179,455 -1.157,456 -1.523,458 -2.708,459 -1.003,460 -0.01,461 -0.737,462 1.423,463 -0.508,464 -1.321,465 -1.699,467 -3.095,468 -1.115,469 10.529,470 0.501,471 0.579,472 0.028,473 27.25,474 1.298,475 13.5,476 0.643,477 13.75,478 0.655,479 15.124,480 0.72,481 22.471,482 0.725,483 19.283,484 0.918,485 5.73,486 0.273,487 4.277,488 0.204,489 0.294,491 0.332,496 0.838,497 1.122,498 0.502,499 0.662,500 0.634,501 0.689,502 0.864,503 1.118,504 0.589,505 0.713,506 0.621,507 0.731,508 0.982,509 1.236,510 0.998,511 1.086,512 0.92,513 1.065,514 1.057,515 0.85,516 0.992,517 0.862,518 1.448,519 0.964,520 1.041,521 1.226,522 1.119,523 1.225,524 1.129,525 1.11,526 0.842,527 0.945,528 1.031,529 1.17,530 0.719,531 1.009,532 0.824,533 0.879,534 0.607,535 0.668,536 0.793,537 0.735,538 1.073,539 1.199,540 1.209,541 1.358,542 1.019,543 1.273,544 5,545 0.103,546 2.667,547 1.563,548 1.058,549 0.691,550 0.331,551 0.203,552 0.177,553 0.167,554 4133,555 19239,556 1.941,557 32.3,559 6,560 1,562 3,567 1.63,568 1.775,569 3.222,570 1.25,572 1,574 1,575 65.341,576 2.108,577 4.042,578 4.454,579 4.736,580 4.801,581 4.801,582 2.661,583 4.202,584 4.367,585 3.352,586 703.875,587 7.469,588 7641.22,589 1,590 1,591 1,592 1,593 153.58,594 1.545,595 4.294,596 0.227,597 0.011,598 0.089,599 0.054,600 0.041,601 0.031,602 0.017,603 0.011,604 0.011,605 0.012,606 0.505,607 0.33,608 1,609 1.12,610 95.795,611 -0.136,612 0.001,613 -0.016,614 0.031,615 -0.111,616 0.034,617 0.019,618 -0.077,619 0.063,620 0.081,621 0.071,622 0.088,623 -0.128,624 -0.209,625 -0.051,626 -0.148,627 -0.071,628 -0.165,629 0.069,630 0.162,631 -0.097,632 0.093,633 -0.099,634 -0.064,635 -0.179,636 -0.151,637 -0.144,638 -0.081,639 -0.22,640 -0.122,642 0.182,643 0.011,644 -0.008,645 0.104,646 0.001,647 0.022,648 0.032,649 0.3,650 0.289,651 0.058,652 0.335,653 -0.207,654 -0.168,655 -0.316,656 -0.393,657 -0.162,658 -0.363,659 2.191,660 4.499,661 0.524,662 15.116,663 1.043,664 1.125,665 2.753,666 7.577,667 0.753,668 3.135,669 3.434,670 3.638,671 3.807,672 3.85,673 3.807,674 3.714,675 3.664,676 3.714,677 3.761,678 5.615,679 0.725,680 345.23,681 3.135,682 4.654,683 5.476,684 6.333,685 7.172,686 8.031,687 8.875,688 9.733,689 10.579,690 11.438,691 12.9,698 2,699 1,701 1,709 4,710 1,711 1,714 5,716 11,726 1,737 2,738 31,739 13,740 1,741 22,743 32,744 12,745 9,746 3,747 3,748 1,752 2,753 2,754 2,757 1,768 11,769 1,772 2,778 1,779 1,782 2,785 1,786 1,789 10,790 5,791 3,792 9,793 3,797 4,803 1,804 2,814 1,822 1,823 1,855 2,857 1,859 1,860 2,862 21,871 2,872 1,885 2,886 6.5,889 1,891 1,893 11.833,894 5.819,895 4.75,896 1.512,898 2.071,899 1.33,900 0.958,901 5.547,902 8.338,903 3.418,904 3.984,905 4.473,906 4.964,907 5.236,908 5.311,909 5.281,910 5.363,911 5.587,912 5.892,913 1,914 29,915 7.637,917 3.136,918 8.098,919 13.854,921 10.511,924 2.598,925 54.556,929 82.398,930 116.299,931 69.348,932 78.297,933 36.145,935 45.192,936 71.107,937 196.84,938 69.348,939 10.883,940 36.022,941 37.476,942 48.999,943 40.606,944 14.384,945 70.627,946 123.489,947 82.398,948 140.454,949 36.145,950 123.489,952 82.398,953 36.145,956 52.685,957 71.107,958 94.96,959 45.192,960 82.398,961 105.492,962 194.596,965 82.398,966 22.747,967 48.359,968 52.685,969 176.297,970 82.398,971 105.492,972 194.596,973 0.579,974 0.34,975 0.169,976 0.083,977 13,978 7,979 0.125,980 4,982 1,983 3.28,984 149.266,986 11,987 92.239,990 1,993 16.193,994 7.194,995 4.149,997 88.829,998 6.4,999 3.887,1000 2.56,1003 2.008,1005 52.685,1006 382.486,1007 29.5,1013 11.499,1014 5.138,1017 -0.283,1020 32.32,1021 34.881,1022 0.425,1023 0.816,1024 0.899,1025 0.956,1026 0.969,1027 0.969,1028 4.632,1029 0.891,1030 5.468,1031 2.753,1032 4.111,1033 4.668,1034 2.489,1035 6.244,1036 3.932,1037 5.844,1038 0.273,1039 7.018,1040 2.024,1041 3.761,1042 4.527,1043 1.305,1044 7.096,1045 3.441,1046 7.149,1047 0.151,1048 8.665,1049 0.623,1050 5.68,1051 6.819,1052 3.401,1053 10.143,1054 5.372,1055 8.488,1056 -0.217,1057 10.366,1058 0.209,1059 6.111,1060 7.462,1061 2.579,1062 11.792,1063 5.691,1064 9.854,1065 -0.468,1066 12.1,1067 -0.567,1068 7.522,1069 9.245,1070 4.4,1071 14.358,1072 7.108,1073 11.238,1074 -0.789,1075 13.858,1076 -1.136,1077 8.302,1078 10.249,1079 3.807,1080 16.352,1081 7.808,1082 12.638,1083 -1.157,1084 15.634,1085 -2.008,1086 9.516,1087 11.82,1088 5.435,1089 18.744,1090 9.014,1091 3.014,1092 -1.321,1093 17.423,1094 -2.708,1095 10.456,1096 13.001,1097 5.001,1098 20.896,1099 9.898,1100 2.839,1101 9.982,1102 19.222,1103 -3.095,1104 11.59,1105 14.474,1106 6.489,1107 23.222,1108 11.014,1109 2.429,1110 8.373,1111 21.031,1112 3.98,1113 12.605,1114 15.745,1115 6.173,1116 25.447,1117 11.987,1118 2.076,1119 7.002,1120 22.846,1121 3.873,1122 13.707,1123 17.17,1124 7.554,1125 27.749,1126 13.067,1127 1.804,1128 5.944,1129 24.668,1130 2.992,1131 14.758,1132 18.487,1133 7.329,1134 30.01,1135 14.083,1136 1.414,1137 4.768,1138 26.494,1139 2.659,1140 15.849,1141 19.886,1142 8.627,1143 32.305,1144 15.149,1145 1.139,1146 3.522,1147 28.325,1148 2.445,1149 16.918,1150 21.228,1151 8.476,1152 34.583,1153 16.188,1154 4240,1155 9257,1156 13.929,1157 23.341,1158 32.553,1159 35.045,1160 34.304,1161 32.351,1162 32.06,1163 42.372,1164 7.367,1165 90.402,1166 28.837,1167 5.244,1168 5.806,1169 6.008,1170 5.045,1171 5.014,1172 6.98,1173 3.436,1174 16.642,1175 4.917,1176 12.676,1177 1.48,1178 1.593,1179 1.559,1180 1.471,1181 1.457,1182 1.926,1183 0.335,1184 4.109,1185 1.311,1186 3.96,1187 4.007,1188 4.126,1189 3.87,1190 7.433,1191 3.862,1192 3.888,1193 3.915,1194 3.966,1195 3.733,1196 5.072,1197 3.762,1198 3.403,1199 3.435,1200 3.782,1201 3.326,1202 5.007,1203 3.248,1204 3.332,1205 3.383,1206 3.402,1207 3.001,1208 4.781,1209 3.042,1210 2.891,1211 2.951,1212 3.271,1213 2.815,1214 4.49,1215 2.78,1216 2.884,1217 2.922,1218 3.253,1219 2.767,1220 4.482,1221 2.737,1222 2.863,1223 2.913,1224 2.699,1225 2.56,1226 4.245,1227 2.594,1228 2.462,1229 2.526,1230 2.551,1231 2.282,1232 3.644,1233 2.262,1234 0.198,1235 0.173,1236 0.294,1237 0.181,1238 0.137,1239 4.364,1240 0.181,1241 3.806,1242 0.08,1243 6.461,1244 0.454,1245 3.982,1246 0.133,1247 3.014,1248 3.98,1249 1.762,1250 9.982,1251 2.917,1252 1.876,1253 1.858,1254 1.93,1255 1.957,1256 1.058,1257 1.965,1258 1.596,1259 1.582,1260 1.685,1261 1.786,1262 0.751,1263 1.753,1264 1.356,1265 1.298,1266 1.54,1267 1.693,1268 0.566,1269 1.641,1270 1.204,1271 1.123,1272 1.445,1273 1.527,1274 0.375,1275 1.533,1276 1.078,1277 1.014,1278 1.172,1279 1.304,1280 0.191,1281 1.303,1282 0.868,1283 0.824,1284 1.063,1285 1.022,1286 0.128,1287 1.058,1288 0.745,1289 0.727,1290 0.83,1291 0.978,1293 0.955,1294 0.486,1295 0.482,1296 0.627,1297 0.736,1299 0.734,1300 3.807,1302 5.106,1303 2.398,1304 6.583,1305 4.595,1306 8.142,1307 6.581,1308 9.744,1310 1.283,1311 11.742,1317 5.693,1318 4.629,1326 22.465,1327 65.341,1328 125.315,1329 138.07,1330 146.825,1331 148.825,1332 148.825,1333 38.153,1334 6.267,1335 79.04,1336 111.13,1337 11,1338 11.992,1339 3.807,1340 3.087,1341 39.396,1342 71,1343 62,1344 0.275,1345 153.566,1346 261.67,1347 366.462,1348 3741,1349 6.5,1350 15.405,1351 0.734,1352 0.622,1353 16.905,1354 13.066,1355 10.007,1356 0.455,1357 0.31,1358 5.636,1359 8.705,1360 5.412,1361 4.497,1362 10.873,1363 6.825,1364 8.951,1365 0.298,1366 0.169,1367 10.1,1368 5.07,1369 7.24,1370 0.196,1371 0.092,1372 8.391,1373 3.398,1374 5.465,1375 0.124,1376 0.046,1377 6.185,1378 2.007,1379 3.795,1380 0.083,1381 0.025,1382 4.418,1383 1.173,1384 0.432,1385 72.744,1386 0.268,1387 20.945,1388 0.751,1389 104,1390 401.382,1391 161.493,1392 465.011,1393 593.21,1394 428,1395 119,1396 363.955,1397 166.67,1398 394.785,1399 571.04,1400 367,1401 6.604}
{0 CHEMBL1349063,1 1.727,2 12.03,3 4.127,4 17.032,5 128.1,6 8.161,7 0.324,8 4.211,9 4.298,10 4.086,11 3.825,12 5.209,13 3.76,14 4.823,15 4.974,16 4.404,17 4.281,18 6.08,19 4.196,20 5.132,21 5.321,22 4.531,23 4.484,24 6.203,25 4.364,26 5.252,27 5.44,28 4.476,29 4.436,30 6.494,31 4.345,32 5.081,33 5.247,34 4.373,35 4.314,36 6.345,37 4.237,38 5.02,39 5.209,40 4.323,41 4.251,42 6.251,43 4.161,44 4.932,45 5.126,46 4.22,47 4.186,48 6.281,49 4.071,50 4.907,51 5.107,52 4.099,53 4.085,54 6.082,55 4.008,56 0.204,57 0.93,58 17.222,59 6.625,60 34.965,61 7.47,62 0.607,63 1.586,64 27.051,65 11.376,66 83.382,67 13.672,68 0.436,69 2.079,70 51.151,71 18.051,72 67.967,73 20.294,74 0.975,75 2.098,76 56.357,77 17.911,78 166.264,79 19.29,80 0.772,81 1.783,82 42.069,83 14.35,84 135.644,85 15.967,86 0.726,87 1.698,88 36.425,89 13.576,90 109.345,91 16.409,92 0.796,93 1.578,94 37.961,95 13.67,96 137.539,97 16.436,98 0.605,99 1.524,100 35.265,101 11.229,102 92.919,103 13.194,104 27,105 56,106 0.277,107 0.512,108 0.615,109 0.67,110 0.67,111 0.67,112 3.533,113 1.154,114 -3.6,115 -3.58,116 -3.41,120 38.3,122 6,126 4,143 6,144 4,145 2,158 1,170 1,174 13,176 6,177 6,185 15,189 18,194 2,197 13,201 22,206 4,209 7,214 12,219 2,222 11,226 6,227 12,232 2,235 12,240 12,243 6,247 8,252 10,260 10,264 2,269 4,271 12,274 1707,275 22.175,276 22.175,277 22.175,278 22.175,279 22.175,280 19.988,281 22.061,282 12.668,283 22.653,284 18.178,285 18.178,286 18.178,287 18.178,288 18.178,289 14.752,290 23.703,291 5.853,292 18.934,293 4.18,294 2.716,295 2.075,296 1.733,297 1.733,298 1.733,299 4.235,307 1,308 872,309 4.183,312 56.653,313 356.662,316 219.822,320 2.031,321 57.743,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 72.5,333 397,334 4.953,335 4.727,336 7.67,337 4.479,338 3.542,339 4.789,340 1.697,341 13.643,342 3.362,343 4.932,344 4.726,345 7.668,346 4.434,347 3.512,348 4.76,349 0.4,350 13.624,351 3.213,352 4.654,353 3.778,354 7.044,355 4.278,356 3.299,357 4.331,358 0.4,359 12.122,360 3.161,361 3.782,362 3.19,363 5.827,364 3.366,365 2.385,366 3.327,368 7.764,369 2.342,370 3.586,371 2.622,372 5.695,373 3.167,374 2.2,375 2.889,377 7.269,378 2.139,379 3.341,380 2.581,381 5.563,382 3.121,383 2.158,384 2.558,386 6.548,387 2.055,388 3.177,389 2.179,390 5.438,391 2.982,392 2.015,393 2.26,395 6.095,396 1.939,397 2.992,398 2.1,399 4.378,400 2.632,401 1.634,402 2.032,404 4.233,405 1.63,406 2.87,407 1.65,408 4.32,409 2.47,410 1.479,411 1.956,413 3.972,414 1.462,415 2.603,416 1.553,417 3.912,418 2.166,419 1.18,420 1.643,422 2.967,423 1.161,424 2.54,425 1.246,426 3.747,427 2.066,428 1.101,429 1.469,431 2.641,432 1.058,433 2.243,434 1.239,435 3.556,436 1.984,437 1,438 1.204,440 2.578,441 0.983,442 2.236,443 1.077,444 3.549,445 1.984,446 1,447 1.187,449 2.321,450 0.983,451 2,452 1.077,453 3.247,454 1.981,455 1,456 1,458 2.136,459 0.979,460 2,461 1.056,462 3.247,463 1.979,464 1,465 1,467 2.136,468 0.977,469 16.033,470 0.486,471 1.008,472 0.031,473 40.5,474 1.227,475 19.5,476 0.591,477 21,478 0.636,479 32.364,480 0.981,481 36.767,482 0.613,483 34.996,484 1.06,485 6.994,486 0.212,487 8.841,488 0.268,489 0.104,490 0.104,491 0.268,496 0.437,497 1.343,498 0.828,499 1.29,500 0.626,501 0.982,502 0.517,503 0.975,504 0.772,505 0.843,506 0.458,507 0.903,508 0.752,509 1.155,510 1.216,511 1.251,512 0.624,513 0.977,514 1.556,515 0.959,516 1.235,517 1.02,518 1.588,519 0.916,520 1.538,521 1.047,522 1.071,523 0.992,524 1.647,525 0.99,526 0.921,527 0.998,528 0.765,529 0.94,530 1.061,531 1.022,532 0.532,533 1.115,534 0.955,535 1.101,536 0.491,537 1.023,538 1.331,539 1.005,540 0.859,541 0.825,542 1.236,543 0.973,544 7.5,545 0.22,546 5.778,547 4.111,548 1.759,549 1.667,550 1.37,551 0.693,552 0.407,553 0.277,554 14827,555 39741,556 2.097,557 45,558 4,559 14,562 1,564 8,567 1.755,568 1.941,569 3.533,570 -0.292,575 103.625,576 1.727,577 3.191,578 3.831,579 4.174,580 4.174,581 4.174,582 3.022,583 3.446,584 5.013,585 3.686,586 1946.21,587 8.795,588 27677,593 354.413,594 1.662,595 4.955,596 0.203,597 0.008,598 0.103,599 0.065,600 0.03,601 0.031,602 0.028,603 0.015,604 0.01,605 0.009,606 0.502,607 0.33,608 0.63,609 0.718,610 172.57,611 0.185,612 -0.118,613 0.269,614 -0.064,615 -0.08,616 0.045,617 0.245,618 0.158,619 0.112,620 0.143,621 0.23,622 0.063,623 -0.009,624 -0.073,625 -0.01,626 -0.063,627 0.083,628 0.065,629 -0.265,630 0.036,631 -0.125,632 0.027,633 -0.178,634 0.043,635 -0.257,636 -0.063,637 -0.103,638 -0.015,639 -0.246,640 -0.045,641 0.087,642 -0.023,643 0.069,644 -0.044,645 -0.04,646 -0.063,647 0.353,648 -0.126,649 0.046,650 -0.076,651 0.345,652 -0.015,653 -0.229,654 -0.003,655 -0.06,656 0.002,657 -0.147,658 -0.059,659 4.571,660 6.154,661 0.758,662 34.584,663 1.012,664 1.123,665 2.374,666 5.637,667 0.679,668 3.638,669 4.043,670 4.394,671 4.673,672 4.949,673 5.118,674 5.38,675 5.545,676 5.673,677 5.835,678 6.899,679 0.639,680 489.67,681 3.638,682 5.231,683 6.129,684 7.054,685 7.973,686 8.904,687 9.831,688 10.766,689 11.698,690 12.636,691 5,694 2,700 1,709 6,714 6,716 12,720 1,738 60,739 17,740 2,741 37,743 64,744 23,745 12,746 6,747 6,748 1,752 5,753 8,763 6,766 6,768 13,769 10,772 5,776 2,778 4,781 1,782 1,789 27,790 8,791 1,792 10,793 2,797 3,803 0.6,804 5,822 1,823 4,826 2,853 1,855 3,857 2,862 33,866 2,868 1,869 10,875 2,886 8.3,889 4,891 1,893 17,894 10.55,895 7.056,896 3.953,898 2.721,899 1.322,900 1.008,901 5.922,902 11.159,903 3.892,904 4.554,905 5.127,906 5.679,907 6.27,908 6.742,909 7.294,910 7.684,911 8.059,912 8.451,913 1,914 63,915 12.88,917 6.323,918 7.97,919 23.83,921 21.382,924 2.47,925 81.5,929 306.049,930 110.703,931 16.285,933 131.432,935 11.615,936 99.088,937 437.48,938 16.285,940 23.63,941 68.472,942 91.383,943 74.934,945 306.049,947 306.049,948 115.373,949 131.432,950 11.615,952 211.88,953 225.6,956 39.915,957 75.458,958 11.615,960 306.049,961 147.716,962 110.703,964 11.615,965 306.049,966 42.231,967 59.895,969 144.679,970 306.049,971 147.716,972 110.703,973 0.599,974 0.371,975 0.197,976 0.106,977 30,978 13,979 0.063,980 4,981 2,982 1.16,983 4.195,984 332.995,985 0.16,986 25,987 124.465,992 2,993 22.701,994 8.608,995 3.842,997 147.716,998 9.64,1003 2.711,1005 42.806,1006 564.468,1007 48,1011 -7.309,1013 52.617,1016 3.441,1017 0.186,1020 60.698,1021 67.364,1022 0.292,1023 0.54,1024 0.649,1025 0.707,1026 0.707,1027 0.707,1028 5.193,1029 1.634,1030 6.188,1031 6.095,1032 4.727,1033 5.242,1034 2.001,1035 7.151,1036 4.645,1037 6.459,1038 1.479,1039 7.857,1040 4.233,1041 4.635,1042 5.521,1044 8.594,1045 4.451,1046 7.859,1047 1.18,1048 9.652,1049 3.972,1050 6.529,1051 7.652,1052 2.873,1053 11.707,1054 6.33,1055 9.309,1056 1.101,1057 11.522,1058 2.967,1059 7.28,1060 8.756,1062 13.942,1063 6.972,1064 10.801,1065 1,1066 13.44,1067 2.641,1068 8.724,1069 10.475,1070 3.888,1071 16.68,1072 8.388,1073 12.32,1074 1,1075 15.389,1076 2.578,1077 9.795,1078 11.866,1080 19.162,1081 9.364,1082 13.859,1083 1,1084 17.358,1085 2.321,1086 11.101,1087 13.468,1088 4.932,1089 21.8,1090 10.624,1091 3.542,1092 1,1093 19.342,1094 2.136,1095 12.287,1096 14.958,1098 24.36,1099 11.73,1100 3.512,1101 13.643,1102 21.337,1103 2.136,1104 13.551,1105 16.525,1106 5.985,1107 26.971,1108 12.939,1109 3.299,1110 13.624,1111 23.34,1112 4.789,1113 14.778,1114 18.053,1116 29.558,1117 14.095,1118 2.385,1119 12.122,1120 25.349,1121 4.76,1122 16.031,1123 19.609,1124 7.041,1125 32.162,1126 15.288,1127 2.2,1128 7.764,1129 27.363,1130 4.331,1131 17.272,1132 21.152,1134 34.759,1135 16.463,1136 2.158,1137 7.269,1138 29.38,1139 3.327,1140 18.523,1141 22.706,1142 8.098,1143 37.362,1144 17.652,1145 2.015,1146 6.548,1147 31.4,1148 2.889,1149 19.77,1150 24.256,1152 39.963,1153 18.835,1154 13907,1155 23030,1156 24.444,1157 40.722,1158 57.246,1159 61.296,1160 58.914,1161 57.573,1162 57.463,1163 73.341,1164 4.994,1165 180.889,1166 55.339,1167 5.953,1168 6.727,1169 7.472,1170 5.544,1171 5.542,1172 7.789,1173 3.394,1174 21.667,1175 5.362,1176 16.433,1177 1.547,1178 1.657,1179 1.592,1180 1.556,1181 1.553,1182 1.982,1183 0.135,1184 4.889,1185 1.496,1186 4.188,1187 4.182,1188 4.754,1189 4.171,1190 7.718,1191 4.122,1192 4.046,1193 4.026,1194 4.732,1195 4.029,1196 7.712,1197 3.921,1198 3.896,1199 3.928,1200 3.983,1201 3.811,1202 6.999,1203 3.761,1204 3.72,1205 3.764,1206 3.595,1207 3.61,1208 6.999,1209 3.596,1210 3.615,1211 3.597,1212 3.591,1213 3.535,1214 6.543,1215 3.468,1216 3.374,1217 3.372,1218 3.43,1219 3.288,1220 4.833,1221 3.225,1222 3.218,1223 3.258,1224 3.171,1225 3.036,1226 4.456,1227 3.047,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 4.262,1233 2.91,1234 0.134,1235 0.128,1236 0.207,1237 0.121,1238 0.096,1239 4.953,1240 0.129,1241 4.727,1242 0.046,1243 7.67,1244 0.369,1245 4.479,1246 0.091,1247 3.542,1248 4.789,1249 1.697,1250 13.643,1251 3.362,1252 2.001,1253 2.008,1254 2.043,1255 2.074,1256 1.419,1257 2.111,1258 1.954,1259 1.964,1260 2.037,1261 2.057,1262 1.417,1263 2.093,1264 1.806,1265 1.756,1266 1.987,1267 1.942,1268 1.213,1269 1.964,1270 1.775,1271 1.723,1272 1.896,1273 1.9,1274 1.139,1275 1.921,1276 1.414,1277 1.45,1278 1.513,1279 1.552,1280 0.825,1281 1.59,1282 1.383,1283 1.408,1284 1.513,1285 1.54,1286 0.825,1287 1.566,1288 1.153,1289 1.064,1290 1.339,1291 1.376,1292 0.745,1293 1.429,1294 1.153,1295 1.064,1296 1.338,1297 1.376,1298 0.692,1299 1.429,1300 4.317,1302 5.7,1303 2.398,1304 7.299,1305 4.949,1306 8.986,1307 7.235,1308 10.717,1314 9.813,1315 7.402,1321 2.999,1326 38.334,1327 103.625,1328 191.446,1329 229.884,1330 250.413,1331 250.413,1332 250.413,1333 89.39,1334 8.438,1335 107.35,1336 124.11,1337 29,1338 13.134,1339 4.17,1340 3.585,1341 47.772,1342 139,1343 135,1344 0.174,1345 236.562,1346 418.35,1347 568.97,1348 54503,1350 23.217,1351 0.704,1352 0.603,1353 23.717,1354 19.907,1355 15.836,1356 0.428,1357 0.385,1358 11.47,1359 13.7,1360 11.043,1361 9.062,1362 17.413,1363 14.235,1364 15.06,1365 0.269,1366 0.226,1367 17.698,1368 12.669,1369 13.451,1370 0.168,1371 0.132,1372 16.106,1373 10.577,1374 11.14,1375 0.105,1376 0.076,1377 13.317,1378 8.078,1379 9.198,1380 0.066,1381 0.045,1382 11.155,1383 6.236,1384 0.269,1385 115.158,1386 0.202,1387 30.246,1388 0.488,1389 186,1390 553.748,1391 282.046,1392 572.329,1393 776.09,1394 522,1395 229,1396 522.291,1397 341.12,1398 599.765,1399 886.73,1400 563,1401 6.126}
{0 CHEMBL1349151,1 1.526,2 9.407,3 4.875,4 23.763,5 106.758,6 7.397,7 0.667,8 3.993,9 4.116,10 3.568,11 3.543,12 5.094,13 3.518,14 4.538,15 4.721,16 3.935,17 3.944,18 5.671,19 3.907,20 4.777,21 4.996,22 4.03,23 4.105,24 5.769,25 4.046,26 4.866,27 5.076,28 3.966,29 4.15,30 5.854,31 4.057,32 4.925,33 5.191,34 3.895,35 4.094,36 5.827,37 3.983,38 4.82,39 5.073,40 3.876,41 4.044,42 5.785,43 3.946,44 4.688,45 4.889,46 3.816,47 4.03,48 5.656,49 3.922,50 4.779,51 5.016,52 3.675,53 3.973,54 5.736,55 3.837,56 0.105,57 0.74,58 9.988,59 4.33,60 8.267,61 5.885,62 0.217,63 1.213,64 19.158,65 7.036,66 40.647,67 9.91,68 0.261,69 1.491,70 25.592,71 9.023,72 26.77,73 12.866,74 0.199,75 1.554,76 27.892,77 10.604,78 39.265,79 14.765,80 0.302,81 1.58,82 31.94,83 11.053,84 43.199,85 16.151,86 0.416,87 1.442,88 28.425,89 9.963,90 46.824,91 14.366,92 0.172,93 1.315,94 22.612,95 9.489,96 17.878,97 13.248,98 0.142,99 1.356,100 26.28,101 10.07,102 27.076,103 14.273,104 29,105 43,106 0.254,107 0.53,108 0.693,109 0.815,110 0.822,111 0.822,112 3.341,113 0.931,114 -4.42,115 -4.35,116 -4.1,120 42.9,121 2,126 4,143 8,144 2,145 1,147 2,153 2,167 2,174 7,176 1,177 10,185 7,188 2,189 13,197 6,201 9,209 6,213 1,214 9,222 7,226 4,227 4,235 7,239 2,240 3,247 11,252 7,260 7,263 1,264 7,271 4,274 1104,275 18.533,276 18.533,277 18.533,278 18.533,279 18.533,280 16.038,281 15.75,282 10.716,283 18.924,284 14.68,285 14.68,286 14.68,287 14.68,288 14.68,289 10.827,290 16.179,291 4.911,292 15.24,293 4.089,294 2.435,295 1.459,296 0.725,297 0.684,298 0.684,299 4.039,306 1,307 1,308 544,309 3.742,312 39.568,313 142.339,316 142.318,317 77.663,320 1.46,321 22.866,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 254,334 4.848,335 3.781,336 7.061,337 4.335,338 3.372,339 4.975,340 2.612,341 12.206,342 3.251,343 4.403,344 3.394,345 6.245,346 3.9,347 2.921,348 4.287,349 0.8,350 9.415,351 2.86,352 4.052,353 2.835,354 5.845,355 3.498,356 2.533,357 3.705,359 7.924,360 2.444,361 3.671,362 2.77,363 5.72,364 3.376,365 2.451,366 3.197,368 7.443,369 2.265,370 3.555,371 2.262,372 5.594,373 3.144,374 2.188,375 3.025,377 6.931,378 2.093,379 3.407,380 2.135,381 5.262,382 3.016,383 2.046,384 2.443,386 6.585,387 1.974,388 3.077,389 1.821,390 4.518,391 2.581,392 1.601,393 2.337,395 4.522,396 1.567,397 2.954,398 1.617,399 3.841,400 2.32,401 1.326,402 2.099,404 3.005,405 1.317,406 2.816,407 1.322,408 3.779,409 2.24,410 1.246,411 1.97,413 2.931,414 1.238,415 2.449,416 1.161,417 3.706,418 2.063,419 1.083,420 1.426,422 2.666,423 1.06,424 2.181,425 1,426 3.517,427 1.777,428 0.802,429 1.076,431 2.038,432 0.78,433 1.693,434 0.849,435 3.073,436 1.591,437 0.618,438 0.618,440 0.948,441 0.6,442 1.618,443 0.744,444 2.728,445 1.389,446 0.42,447 0.522,449 0.791,450 0.406,451 1.192,452 0.512,453 2.623,454 0.816,455 -0.153,456 -0.18,458 -0.265,459 -0.148,460 1.014,461 -0.031,462 2.618,463 0.595,464 -0.384,465 -0.509,467 -0.913,468 -0.375,469 12.767,470 0.473,471 0.64,472 0.024,473 36.75,474 1.361,475 19,476 0.704,477 17.75,478 0.657,479 21.724,480 0.805,481 28.633,482 0.584,483 27.214,484 1.008,485 7.096,486 0.263,487 6.022,488 0.223,489 0.131,491 0.368,496 0.426,497 1.32,498 0.749,499 1.065,500 0.477,501 0.974,502 0.711,503 1.147,504 0.802,505 0.907,506 0.344,507 0.858,508 0.796,509 0.897,510 0.846,511 0.82,512 0.427,513 0.818,514 0.9,515 1.207,516 1.055,517 1.164,518 0.829,519 1.139,520 0.748,521 0.932,522 0.852,523 0.891,524 0.596,525 0.88,526 0.692,527 0.735,528 0.842,529 0.78,530 0.582,531 0.818,532 0.46,533 1.221,534 1.019,535 1.28,536 0.489,537 1.244,538 0.726,539 1.218,540 1.106,541 1.314,542 0.705,543 1.272,544 5,545 0.147,546 3.333,547 2.299,548 1.435,549 1.136,550 0.66,551 0.546,552 0.409,553 0.202,554 7963,555 20557,556 2.097,557 44.9,559 16,564 6,567 1.707,568 1.952,569 3.239,570 -0.769,575 74.775,576 1.526,577 3.18,578 4.155,579 4.89,580 4.931,581 4.931,582 2.696,583 4.357,584 4.72,585 3.387,586 1188.74,587 8.234,588 14772.5,590 1,593 275.121,594 1.447,595 4.681,596 0.167,597 0.011,598 0.078,599 0.049,600 0.034,601 0.029,602 0.017,603 0.015,604 0.014,605 0.01,606 0.423,607 0.17,608 1,609 1.465,610 131.374,611 0.252,612 -0.135,613 0.082,614 -0.029,615 0.017,616 -0.013,617 0.091,618 -0.025,619 0.103,620 0.079,621 0.239,622 0.096,623 -0.022,624 0.188,625 0.091,626 0.147,627 0.087,628 0.143,629 -0.085,630 -0.193,631 -0.124,632 -0.161,633 -0.045,634 -0.152,635 0.016,636 0.03,637 0.133,638 0.084,639 0.033,640 0.121,641 0.116,642 0.255,643 0.135,644 0.195,645 0.088,646 0.173,647 0.132,648 -0.205,649 -0.126,650 -0.243,651 0.025,652 -0.23,653 -0.01,654 -0.257,655 -0.161,656 -0.309,657 -0.022,658 -0.263,659 2.362,660 4.134,661 0.63,662 25.062,663 1,664 1.125,665 3.188,666 10.164,667 0.669,668 3.434,669 3.784,670 4.127,671 4.443,672 4.771,673 4.984,674 5.236,675 5.455,676 5.583,677 5.652,678 5.813,679 0.638,680 362.47,681 3.434,682 4.99,683 5.872,684 6.777,685 7.686,686 8.604,687 9.527,688 10.454,689 11.383,690 12.316,691 8.2,694 1,699 1,701 1,702 1,708 6,709 8,710 1,714 1,715 1,716 20,731 1,738 49,739 22,740 2,741 30,743 52,744 21,745 15,746 5,747 7,752 4,753 10,759 2,768 15,769 6,772 2,775 1,778 2,789 22,790 4,792 6,797 4,803 0.25,804 2,816 1,818 1,822 1,823 3,826 2,827 1,851 1,855 1,859 2,862 27,869 4,875 1,886 4.1,892 2,893 13.833,894 9.55,895 6.028,896 3.328,898 4.546,899 1.568,900 1.007,901 4.71,902 12.541,903 3.761,904 4.469,905 5.183,906 5.914,907 6.64,908 7.211,909 7.842,910 8.44,911 8.931,912 9.361,913 1,914 47,915 9.978,917 4.269,918 7.747,919 19.214,921 15.985,924 2.247,925 60.667,927 1,928 1,929 258.964,930 118.362,931 27.479,933 50.747,936 118.362,937 309.711,938 27.479,939 23.32,940 8.423,941 75.81,942 16.786,943 17.214,944 4.288,945 258.964,946 50.747,947 258.964,948 145.841,949 50.747,952 188.338,953 70.627,954 50.747,956 35.385,957 88.001,958 22.456,960 258.964,961 78.226,962 118.362,965 258.964,966 24.902,967 104.154,969 67.532,970 258.964,971 78.226,972 118.362,973 0.58,974 0.354,975 0.189,976 0.107,977 22,978 10,979 0.115,980 6,981 3,982 1.353,983 3.761,984 244.59,985 0.353,986 17,987 122.382,993 17.749,994 7.164,995 3.126,996 5.815,997 70.657,998 15.163,999 4.837,1003 0.092,1004 2.286,1006 455.553,1007 42,1010 -0.362,1013 22.268,1020 49.014,1021 55.149,1022 0.272,1023 0.566,1024 0.74,1025 0.871,1026 0.878,1027 0.878,1028 4.997,1029 1.326,1030 5.872,1031 4.522,1032 4.466,1033 5.156,1034 2.577,1035 6.742,1036 4.396,1037 6.245,1038 1.246,1039 7.467,1040 3.005,1041 4.111,1042 5.19,1043 2.396,1044 7.761,1045 3.992,1046 7.592,1047 1.083,1048 9.163,1049 2.931,1050 6.111,1051 7.561,1052 4.162,1053 10.901,1054 5.969,1055 8.983,1056 0.802,1057 10.918,1058 2.666,1059 6.594,1060 8.449,1061 4.51,1062 12.77,1063 6.404,1064 10.408,1065 0.618,1066 12.712,1067 2.038,1068 8.069,1069 10.313,1070 5.949,1071 15.452,1072 7.858,1073 11.859,1074 0.42,1075 14.532,1076 0.948,1077 8.938,1078 11.588,1079 6.556,1080 17.689,1081 8.685,1082 13.33,1083 -0.153,1084 16.372,1085 0.791,1086 10.219,1087 13.266,1088 7.794,1089 20.232,1090 9.941,1091 3.372,1092 -0.384,1093 18.227,1094 -0.265,1095 11.268,1096 14.716,1097 8.548,1098 22.624,1099 10.95,1100 2.921,1101 12.206,1102 20.096,1103 -0.913,1104 12.482,1105 16.328,1106 9.67,1107 25.129,1108 12.136,1109 2.533,1110 9.415,1111 21.977,1112 4.975,1113 13.613,1114 17.856,1115 10.509,1116 27.585,1117 13.229,1118 2.451,1119 7.924,1120 23.866,1121 4.287,1122 14.81,1123 19.448,1124 11.563,1125 30.081,1126 14.393,1127 2.188,1128 7.443,1129 25.765,1130 3.705,1131 15.979,1132 21.011,1133 12.452,1134 32.563,1135 15.524,1136 2.046,1137 6.931,1138 27.671,1139 3.197,1140 17.174,1141 22.6,1142 13.468,1143 35.059,1144 16.685,1145 1.601,1146 6.585,1147 29.583,1148 3.025,1149 18.362,1150 24.18,1151 14.386,1152 37.551,1153 17.834,1154 7764,1155 12712,1156 19.997,1157 32.784,1158 45.049,1159 46.807,1160 47.524,1161 45.242,1162 45.213,1163 63.363,1164 6.825,1165 134.812,1166 43.706,1167 5.725,1168 5.781,1169 6.739,1170 5.385,1171 5.372,1172 7.975,1173 4.612,1174 19.464,1175 5.251,1176 13.746,1177 1.502,1178 1.56,1179 1.584,1180 1.508,1181 1.507,1182 2.112,1183 0.227,1184 4.494,1185 1.457,1186 4.259,1187 4.289,1188 4.236,1189 4.169,1190 7.815,1191 4.182,1192 3.961,1193 3.987,1194 3.928,1195 3.859,1196 6.999,1197 3.865,1198 3.732,1199 3.812,1200 3.594,1201 3.538,1202 5.093,1203 3.54,1204 3.619,1205 3.647,1206 3.587,1207 3.41,1208 4.716,1209 3.427,1210 3.419,1211 3.482,1212 3.32,1213 3.156,1214 4.334,1215 3.184,1216 3.306,1217 3.407,1218 3.057,1219 3.123,1220 4.272,1221 3.089,1222 3.199,1223 3.256,1224 3.04,1225 2.96,1226 4.062,1227 2.999,1228 3.012,1229 3.063,1230 2.913,1231 2.912,1232 3.892,1233 2.907,1234 0.162,1235 0.126,1236 0.235,1237 0.145,1238 0.112,1239 4.848,1240 0.166,1241 3.781,1242 0.087,1243 7.061,1244 0.407,1245 4.335,1246 0.108,1247 3.372,1248 4.975,1249 2.612,1250 12.206,1251 3.251,1252 2.067,1253 2.046,1254 2.122,1255 2.176,1256 1.283,1257 2.156,1258 1.935,1259 1.906,1260 2.037,1261 2.044,1262 1.237,1263 2.044,1264 1.72,1265 1.656,1266 1.945,1267 1.936,1268 1.126,1269 1.935,1270 1.591,1271 1.54,1272 1.747,1273 1.857,1274 0.951,1275 1.799,1276 1.351,1277 1.258,1278 1.725,1279 1.613,1280 0.869,1281 1.638,1282 1.322,1283 1.256,1284 1.547,1285 1.584,1286 0.696,1287 1.591,1288 1.102,1289 1.063,1290 1.253,1291 1.381,1292 0.327,1293 1.373,1294 1.013,1295 0.973,1296 1.182,1297 1.175,1298 0.287,1299 1.182,1300 4.111,1302 5.451,1303 2.398,1304 7.002,1305 4.949,1306 8.65,1307 7.235,1308 10.354,1310 4.34,1315 3.837,1321 2.389,1326 31.256,1327 74.775,1328 155.818,1329 203.611,1330 239.611,1331 241.611,1332 241.611,1333 41.661,1334 7.996,1335 66.88,1336 66.88,1337 23,1338 12.817,1339 4.524,1340 3.7,1341 39.928,1342 92,1343 95,1344 0.216,1345 191.459,1346 316.64,1347 458.92,1348 30986,1350 18.966,1351 0.702,1352 0.576,1353 18.966,1354 15.553,1355 13.118,1356 0.437,1357 0.31,1358 9.189,1359 12.595,1360 8.953,1361 7.427,1362 13.118,1363 9.305,1364 11.672,1365 0.271,1366 0.155,1367 11.672,1368 6.686,1369 10.411,1370 0.171,1371 0.086,1372 10.411,1373 5.264,1374 8.723,1375 0.104,1376 0.044,1377 8.723,1378 3.731,1379 7.46,1380 0.064,1381 0.022,1382 7.46,1383 2.531,1384 0.328,1385 82.163,1386 0.224,1387 25.365,1388 0.626,1389 146,1390 412.052,1391 159.06,1392 401.232,1393 555.83,1394 374,1395 177,1396 427.816,1397 191.034,1398 427.658,1399 630.49,1400 404,1401 4.802}
{0 CHEMBL1349276,1 1.729,2 9.759,3 2.773,4 7.692,5 109.423,6 8.5,7 0.194,8 4.002,9 4.083,10 3.71,11 3.53,12 5.213,13 3.522,14 4.532,15 4.671,16 4.116,17 3.878,18 5.781,19 3.865,20 4.643,21 4.768,22 4.221,23 4.036,24 5.865,25 4.02,26 4.802,27 4.921,28 4.34,29 4.135,30 6.157,31 4.113,32 4.889,33 5.037,34 4.339,35 4.184,36 6.252,37 4.148,38 4.896,39 5.037,40 4.31,41 4.166,42 6.272,43 4.113,44 4.884,45 5.069,46 4.01,47 4.026,48 6.064,49 3.96,50 4.777,51 4.984,52 3.943,53 3.873,54 5.993,55 3.799,56 0.135,57 0.675,58 8.387,59 4.824,60 9.913,61 5.154,62 0.689,63 1.084,64 20.423,65 7.499,66 49.25,67 8.442,68 0.484,69 1.234,70 21.599,71 8.918,72 47.401,73 9.439,74 0.788,75 1.404,76 25.954,77 10.187,78 78.205,79 10.578,80 0.902,81 1.504,82 30.906,83 11.573,84 102.087,85 12.55,86 0.889,87 1.523,88 33.057,89 11.992,90 97.677,91 12.867,92 0.816,93 1.42,94 31.005,95 10.908,96 94.872,97 12.331,98 0.881,99 1.227,100 30.605,101 10.435,102 76.519,103 12.714,104 67,105 44,106 0.293,107 0.634,108 0.802,109 0.83,110 0.85,111 0.85,112 3.409,113 0.933,114 -3.5,115 -3.48,116 -3.32,120 40.8,121 2,125 2,126 1,128 1,136 1,137 1,139 2,143 4,144 1,145 1,159 3,160 1,174 4,176 4,177 13,185 7,189 7,197 4,200 5,201 15,209 7,213 4,214 8,222 6,226 5,227 14,235 9,240 6,247 4,251 4,252 9,260 3,263 4,264 5,271 1,274 1470,275 19.455,276 19.455,277 19.455,278 19.455,279 19.455,280 17.715,281 25.218,282 11.307,283 20.292,284 15.093,285 15.093,286 15.093,287 15.093,288 15.093,289 12.13,290 25.895,291 5.101,292 16.129,293 3.885,294 1.872,295 0.878,296 0.715,297 0.592,298 0.592,299 4.084,306 1,307 1,308 582,309 3.937,312 65.476,313 159.607,316 121.17,320 1.405,321 44.779,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 65,333 283,334 4.647,335 4.744,336 7.188,337 4.356,338 3.408,339 4.059,340 3.66,341 12.651,342 3.245,343 4.249,344 3.827,345 6.496,346 3.869,347 2.909,348 3.648,349 1.674,350 10.011,351 2.774,352 4.024,353 3.581,354 5.883,355 3.597,356 2.624,357 3.576,358 1.674,359 8.051,360 2.551,361 3.749,362 3.462,363 5.548,364 3.345,365 2.384,366 2.99,367 1.36,368 7.133,369 2.27,370 3.571,371 3.344,372 5.297,373 3.192,374 2.255,375 2.837,376 0.943,377 6.695,378 2.106,379 3.457,380 2.944,381 5.052,382 3.034,383 2.079,384 2.622,385 0.86,386 5.786,387 1.956,388 3.129,389 2.77,390 4.837,391 2.686,392 1.751,393 2.172,394 0.769,395 5.072,396 1.617,397 2.95,398 2.555,399 4.702,400 2.517,401 1.618,402 1.969,403 0.29,404 4.683,405 1.427,406 2.5,407 1.859,408 4.208,409 2.088,410 1.157,411 1.5,413 3.102,414 1.05,415 2.473,416 1.805,417 3.414,418 2,419 1,420 1.353,422 2.275,423 1,424 2.096,425 1.461,426 3.375,427 1.863,428 0.898,429 1.013,431 1.59,432 0.849,433 1.669,434 1.371,435 3.053,436 1.374,437 0.496,438 0.557,440 0.777,441 0.43,442 1.514,443 1.087,444 2.849,445 1.248,446 0.381,447 0.405,449 0.596,450 0.324,451 1.396,452 1,453 2.718,454 0.973,455 -0.023,456 -0.029,458 -0.05,459 -0.022,460 1.192,461 0.655,462 2.613,463 0.705,464 -0.243,465 -0.304,467 -0.586,468 -0.227,469 13.633,470 0.47,471 0.767,472 0.026,473 34.5,474 1.19,475 15.5,476 0.534,477 19,478 0.655,479 27.191,480 0.938,481 31.967,482 0.652,483 30.447,484 1.05,485 7.198,486 0.248,487 6.707,488 0.231,489 0.22,491 0.396,496 0.747,497 1.355,498 0.687,499 1.1,500 0.574,501 0.974,502 0.886,503 0.92,504 0.72,505 0.758,506 0.574,507 0.682,508 1.005,509 1.155,510 0.867,511 0.991,512 0.913,513 0.862,514 1.042,515 1.094,516 0.994,517 1.063,518 1.315,519 1.004,520 0.953,521 0.989,522 1.004,523 0.977,524 1.069,525 0.891,526 0.864,527 1.214,528 1.222,529 1.328,530 0.924,531 1.167,532 1.195,533 1.029,534 1.112,535 1.028,536 1.303,537 1.105,538 0.726,539 0.946,540 0.877,541 1.037,542 0.731,543 1.005,544 6,545 0.116,546 3.333,547 2.979,548 2.378,549 1.952,550 0.919,551 0.76,552 0.488,553 0.192,554 8464,555 29589,556 1.973,557 40.8,559 14,564 6,567 1.73,568 1.794,569 3.196,570 -0.683,571 1,572 1,575 84.734,576 1.729,577 3.743,578 4.737,579 4.9,580 5.022,581 5.022,582 2.652,583 4.556,584 4.82,585 3.374,586 1369.79,587 8.463,588 17754.8,590 1,592 1,593 275.121,594 1.556,595 4.756,596 0.194,597 0.009,598 0.076,599 0.06,600 0.045,601 0.035,602 0.018,603 0.02,604 0.014,605 0.008,606 0.479,607 0.33,608 1,609 1.533,610 143.499,611 -0.047,612 -0.232,613 0.065,614 -0.089,615 -0.052,616 -0.04,617 0.085,618 0.147,619 0.224,620 0.24,621 0.096,622 0.258,623 -0.138,624 -0.062,625 0.056,626 0.036,627 -0.088,628 0.08,629 -0.042,630 -0.002,631 -0.043,632 -0.044,633 -0.119,634 -0.089,635 0.011,636 0.065,637 0.009,638 0.06,639 0.051,640 0.067,641 0.07,642 -0.142,643 -0.136,644 -0.231,645 0.105,646 -0.201,647 -0.217,648 -0.04,649 -0.182,650 -0.098,651 -0.212,652 -0.145,653 0.195,654 -0.012,655 0.113,656 -0.074,657 0.117,658 0.012,659 2.308,660 6.079,661 0.517,662 27.541,663 1.024,664 1.121,665 2.27,666 5.153,667 0.678,668 3.466,669 3.807,670 4.127,671 4.454,672 4.736,673 4.92,674 5.094,675 5.257,676 5.273,677 5.187,678 5.821,679 0.658,680 416.49,681 3.466,682 5.017,683 5.889,684 6.797,685 7.701,686 8.625,687 9.544,688 10.475,689 11.402,690 12.338,691 4.1,698 1,700 1,709 4,714 2,716 6,735 1,738 49,739 12,740 1,741 31,743 51,744 20,745 6,746 2,747 4,748 8,752 3,753 4,759 2,763 1,766 1,768 14,769 6,772 6,778 3,780 1,781 1,782 7,786 1,789 20,790 8,792 9,793 1,797 2,803 0.667,804 6,822 1,823 2,826 1,839 1,841 2,845 3,846 1,855 2,856 1,857 1,859 4,862 29,869 1,872 3,873 1,874 1,875 1,886 12.2,889 3,891 3,893 16.167,894 10.317,895 6.639,896 2.843,898 2.275,899 1.304,900 0.93,901 6.577,902 9.764,903 3.714,904 4.256,905 4.79,906 5.3,907 5.818,908 6.13,909 6.505,910 6.919,911 7.194,912 7.345,913 0.857,914 50,915 10.79,917 4.612,918 8.057,919 19.778,921 15.612,924 2.557,925 74.167,928 1,929 235.422,930 159.312,931 19.91,933 108.434,935 32.22,936 127.093,937 343.856,938 19.91,939 39.417,940 7.717,941 47.381,942 98.83,943 61.4,944 0.693,945 267.642,947 235.422,948 147.002,949 108.434,950 32.22,952 164.795,953 179.061,956 42.153,957 91.066,958 13.784,959 32.22,960 235.422,961 128.344,962 159.312,965 235.422,966 72.514,967 89.922,969 125.22,970 235.422,971 128.344,972 159.312,973 0.575,974 0.352,975 0.195,976 0.114,977 20,978 11,979 0.137,980 7,981 1,982 1.133,983 3.73,984 264.896,985 0.133,986 15,987 136.881,989 1,993 21.31,994 8.95,995 4.151,997 128.344,998 7.049,1003 1.333,1006 523.078,1007 40,1013 37.43,1015 1.123,1016 4.418,1017 -0.337,1020 50.196,1021 54.91,1022 0.308,1023 0.667,1024 0.844,1025 0.873,1026 0.895,1027 0.895,1028 4.98,1029 1.618,1030 5.9,1031 5.072,1032 4.489,1033 4.942,1034 3.821,1035 6.781,1036 4.375,1037 6.195,1038 1.157,1039 7.505,1040 4.683,1041 4.205,1042 4.82,1043 2.182,1044 7.844,1045 4.07,1046 7.522,1047 1,1048 9.212,1049 3.102,1050 6.142,1051 7.059,1052 5.906,1053 11.009,1054 5.936,1055 8.883,1056 0.898,1057 10.979,1058 2.275,1059 6.673,1060 7.695,1061 5.01,1062 12.931,1063 6.437,1064 10.274,1065 0.496,1066 12.786,1067 1.59,1068 8.112,1069 9.446,1070 8.362,1071 15.653,1072 7.821,1073 11.686,1074 0.381,1075 14.622,1076 0.777,1077 9.014,1078 10.428,1079 7.871,1080 17.939,1081 8.68,1082 13.116,1083 -0.023,1084 16.481,1085 0.596,1086 10.281,1087 11.981,1088 10.896,1089 20.522,1090 9.899,1091 3.408,1092 -0.243,1093 18.357,1094 -0.05,1095 11.353,1096 13.139,1097 10.667,1098 22.956,1099 10.921,1100 2.909,1101 12.651,1102 20.249,1103 -0.586,1104 12.567,1105 14.601,1106 13.448,1107 25.497,1108 12.087,1109 2.624,1110 10.011,1111 22.153,1112 4.059,1113 13.714,1114 15.854,1115 13.417,1116 27.99,1117 13.184,1118 2.384,1119 8.051,1120 24.067,1121 3.648,1122 14.917,1123 17.273,1124 16.006,1125 30.522,1126 14.338,1127 2.255,1128 7.133,1129 25.99,1130 3.576,1131 16.1,1132 18.58,1133 16.133,1134 33.038,1135 15.47,1136 2.079,1137 6.695,1138 27.92,1139 2.99,1140 17.305,1141 19.978,1142 18.566,1143 35.569,1144 16.626,1145 1.751,1146 5.786,1147 29.856,1148 2.837,1149 18.506,1150 21.316,1151 18.827,1152 38.096,1153 17.775,1154 8638,1155 16294,1156 19.709,1157 33.239,1158 46.717,1159 51.027,1160 50,1161 45.819,1162 45.918,1163 57.403,1164 22.461,1165 136.846,1166 43.197,1167 5.618,1168 6.744,1169 6.957,1170 5.501,1171 5.408,1172 7.059,1173 7.14,1174 20.316,1175 5.245,1176 18.369,1177 1.507,1178 1.646,1179 1.613,1180 1.478,1181 1.481,1182 1.852,1183 0.725,1184 4.414,1185 1.393,1186 4.027,1187 4.05,1188 4.128,1189 3.938,1190 7.439,1191 3.939,1192 3.812,1193 3.829,1194 3.849,1195 3.732,1196 7.431,1197 3.719,1198 3.665,1199 3.668,1200 3.652,1201 3.534,1202 7.424,1203 3.539,1204 3.506,1205 3.558,1206 3.426,1207 3.274,1208 4.878,1209 3.277,1210 3.358,1211 3.393,1212 3.272,1213 3.103,1214 4.714,1215 3.128,1216 3.26,1217 3.32,1218 3.14,1219 3.017,1220 4.511,1221 3.024,1222 3.093,1223 3.155,1224 2.995,1225 2.846,1226 4.446,1227 2.85,1228 3.046,1229 3.105,1230 2.904,1231 2.805,1232 4.349,1233 2.802,1234 0.15,1235 0.153,1236 0.232,1237 0.141,1238 0.11,1239 4.647,1240 0.131,1241 4.744,1242 0.118,1243 7.188,1244 0.408,1245 4.356,1246 0.105,1247 3.408,1248 4.059,1249 3.66,1250 12.651,1251 3.245,1252 1.944,1253 1.922,1254 2.036,1255 2.051,1256 1.234,1257 2.045,1258 1.709,1259 1.684,1260 1.839,1261 1.868,1262 0.953,1263 1.857,1264 1.587,1265 1.59,1266 1.783,1267 1.769,1268 0.918,1269 1.748,1270 1.471,1271 1.403,1272 1.671,1273 1.72,1274 0.732,1275 1.732,1276 1.235,1277 1.181,1278 1.576,1279 1.531,1280 0.614,1281 1.541,1282 1.189,1283 1.125,1284 1.517,1285 1.491,1286 0.563,1287 1.502,1288 1.112,1289 1.046,1290 1.407,1291 1.351,1292 0.544,1293 1.39,1294 0.992,1295 0.964,1296 1.181,1297 1.286,1298 0.218,1299 1.231,1300 4.143,1302 5.476,1303 2.398,1304 7.015,1305 4.844,1306 8.656,1307 7.034,1308 10.359,1310 6.194,1315 0.192,1318 15.041,1319 1.059,1320 -0.74,1321 1.403,1326 32.26,1327 84.734,1328 183.398,1329 232.101,1330 240.101,1331 246.101,1332 246.101,1333 76.273,1334 7.489,1335 96.19,1336 124.43,1337 17,1338 12.838,1339 3.7,1340 3.322,1341 51.838,1342 94,1343 122,1344 0.265,1345 202.787,1346 376.07,1347 486.561,1348 15415,1350 21.129,1351 0.729,1352 0.594,1353 21.483,1354 17.24,1355 13.905,1356 0.449,1357 0.311,1358 8.698,1359 12.669,1360 8.321,1361 6.937,1362 14.313,1363 9.64,1364 12.264,1365 0.279,1366 0.162,1367 12.906,1368 7.108,1369 10.537,1370 0.173,1371 0.088,1372 11.329,1373 5.382,1374 8.885,1375 0.105,1376 0.048,1377 9.9,1378 4.066,1379 7.211,1380 0.064,1381 0.025,1382 8.109,1383 2.865,1384 0.397,1385 93.289,1386 0.225,1387 26.742,1388 0.79,1389 150,1390 568.564,1391 198.089,1392 544.061,1393 724.9,1394 508,1395 180,1396 497.888,1397 224.165,1398 514.166,1399 760.52,1400 479,1401 4.997}
{0 CHEMBL1349590,1 1.806,2 11.5,3 3.024,4 9.143,5 116.649,6 10.101,7 0.611,8 3.95,9 4.021,10 3.802,11 3.601,12 5.288,13 3.604,14 4.419,15 4.497,16 4.217,17 4.001,18 5.875,19 4.001,20 4.66,21 4.775,22 4.278,23 4.11,24 6.037,25 4.125,26 4.761,27 4.868,28 4.371,29 4.104,30 6.347,31 4.149,32 4.757,33 4.874,34 4.291,35 4.064,36 6.284,37 4.094,38 4.657,39 4.778,40 4.14,41 3.967,42 6.148,43 3.967,44 4.561,45 4.686,46 4.06,47 3.841,48 6.399,49 3.821,50 4.34,51 4.51,52 3.764,53 3.699,54 5.569,55 3.642,56 0.224,57 0.636,58 3.649,59 3.372,60 19.756,61 2.933,62 0.447,63 1.03,64 8.198,65 5.695,66 59.97,67 5.097,68 0.51,69 1.255,70 13.831,71 7.838,72 73.411,73 7.207,74 0.821,75 1.348,76 14.14,77 8.055,78 126.058,79 6.322,80 0.852,81 1.311,82 15.504,83 8.553,84 134.073,85 7.009,86 0.81,87 1.209,88 16.697,89 8.253,90 124.291,91 6.548,92 1.096,93 1.084,94 15.6,95 7.521,96 211.849,97 7.281,98 0.404,99 0.912,100 13.42,101 6.668,102 62.282,103 7.204,104 27,105 53,106 0.301,107 0.581,108 0.728,109 0.846,110 0.887,111 0.895,112 3.503,113 0.853,114 -4.47,115 -4.4,116 -4.14,120 50,143 9,144 5,145 2,146 1,152 1,159 3,163 1,167 2,174 13,176 3,177 10,180 2,182 2,185 15,189 18,194 2,197 11,200 2,201 26,206 1,209 10,213 1,214 19,217 1,219 1,222 14,226 3,227 7,235 15,239 9,240 4,243 2,245 2,247 12,252 5,257 3,260 5,263 2,264 13,269 3,271 3,274 1698,275 21.621,276 21.621,277 21.621,278 21.621,279 21.621,280 18.498,281 22.229,282 12.432,283 22.061,284 17.735,285 17.735,286 17.735,287 17.735,288 17.735,289 12.866,290 27.759,291 5.833,292 18.408,293 3.653,294 1.974,295 1.092,296 0.381,297 0.136,298 0.091,299 4.208,306 1,307 1,308 812,309 3.536,312 84.629,313 290.752,317 341.212,319 140.441,320 1.781,321 56.056,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 71,333 368,334 4.805,335 3.963,336 7.192,337 4.417,338 3.428,339 4.739,340 2.612,341 12.622,342 3.392,343 4.366,344 3.797,345 6.664,346 3.984,347 3.01,348 3.93,349 1.349,350 10.641,351 2.933,352 4.189,353 3.573,354 6.145,355 3.803,356 2.82,357 3.768,358 1.058,359 8.924,360 2.777,361 3.959,362 3.336,363 6.018,364 3.499,365 2.551,366 3.493,367 0.8,368 8.424,369 2.475,370 3.828,371 2.986,372 5.942,373 3.419,374 2.425,375 3.263,377 8.01,378 2.396,379 3.775,380 2.608,381 5.359,382 3.291,383 2.372,384 3.154,386 6.95,387 2.11,388 3.472,389 2.527,390 5.183,391 2.958,392 1.962,393 2.822,395 5.815,396 1.93,397 3.128,398 2.052,399 4.748,400 2.617,401 1.625,402 2.334,404 4.59,405 1.606,406 2.947,407 1.876,408 4.09,409 2.374,410 1.366,411 2.074,413 3.424,414 1.372,415 2.815,416 1.827,417 4.026,418 2.302,419 1.316,420 1.927,422 3.137,423 1.29,424 2.753,425 1.33,426 3.918,427 2.247,428 1.249,429 1.842,431 3,432 1.245,433 2.625,434 1.318,435 3.525,436 2.136,437 1.16,438 1.675,440 2.582,441 1.125,442 2.463,443 1.223,444 3.493,445 1.909,446 0.924,447 1.372,449 2.182,450 0.893,451 2.285,452 1.173,453 3.321,454 1.699,455 0.662,456 1.033,458 1.719,459 0.681,460 2.118,461 1,462 3.255,463 1.416,464 0.618,465 0.927,467 1.372,468 0.486,469 15.1,470 0.472,471 0.892,472 0.028,473 49.75,474 1.555,475 28.5,476 0.891,477 21.25,478 0.664,479 21.704,480 0.678,481 31.7,482 0.72,483 42.049,484 1.314,485 9.793,486 0.306,487 5.659,488 0.177,489 0.11,491 0.417,496 0.489,497 0.989,498 0.599,499 0.746,500 0.504,501 0.71,502 0.442,503 1.047,504 0.776,505 0.991,506 0.489,507 0.906,508 0.857,509 1.124,510 0.83,511 1.016,512 0.754,513 0.947,514 1.211,515 1.021,516 0.794,517 0.908,518 1.138,519 0.914,520 1.384,521 0.943,522 0.889,523 0.881,524 1.408,525 0.953,526 1.346,527 0.899,528 1.203,529 1.005,530 1.411,531 1.067,532 0.597,533 0.839,534 0.97,535 0.935,536 0.718,537 1.107,538 0.677,539 1.159,540 0.962,541 1.117,542 0.627,543 1.176,544 5.5,545 0.21,546 4,547 3.16,548 2.702,549 1.465,550 0.943,551 0.509,552 0.364,553 0.256,554 13579,555 49875,556 2.116,557 27.3,559 9,560 1,561 1,562 1,567 1.748,568 1.959,569 3.468,570 -0.279,572 1,575 79.478,576 1.806,577 3.486,578 4.368,579 5.079,580 5.323,581 5.369,582 2.93,583 4.242,584 4.968,585 3.634,586 1802.28,587 8.708,588 24948.5,590 1,592 1,593 240.215,594 1.468,595 4.923,596 0.153,597 0.008,598 0.075,599 0.054,600 0.044,601 0.026,602 0.02,603 0.012,604 0.011,605 0.008,606 0.412,607 0.17,608 0.88,609 0.731,610 165.305,611 0.083,612 0.032,613 0.038,614 0.084,615 -0.025,616 0.039,617 0.212,618 -0.039,619 -0.016,620 -0.095,621 0.103,622 -0.102,623 -0.091,624 -0.162,625 -0.042,626 -0.136,627 -0.022,628 -0.029,629 -0.147,630 -0.052,631 -0.034,632 -0.06,633 -0.05,634 -0.041,635 -0.246,636 -0.015,637 -0.063,638 0.007,639 -0.209,640 -0.018,641 -0.23,642 0.055,643 -0.23,644 -0.027,645 -0.249,646 -0.097,647 0.527,648 0.093,649 0.017,650 0.042,651 0.451,652 -0.086,653 0.02,654 -0.234,655 0.093,656 -0.105,657 0.011,658 -0.024,659 2.547,660 6.259,661 0.75,662 31.387,663 1.038,664 1.105,665 3.239,666 10.493,667 0.75,668 3.611,669 3.989,670 4.344,671 4.682,672 4.956,673 5.136,674 5.352,675 5.505,676 5.694,677 5.737,678 6.679,679 0.749,680 444.45,681 3.611,682 5.187,683 6.08,684 6.997,685 7.909,686 8.833,687 9.754,688 10.684,689 11.61,690 12.543,691 9.1,698 2,701 1,702 1,708 2,709 11,710 1,713 1,714 6,716 22,723 1,731 1,738 44,739 27,740 3,741 36,743 48,744 22,745 19,746 7,747 9,748 3,752 5,753 9,768 22,772 5,775 1,778 5,782 3,786 1,789 12,790 8,791 1,792 10,793 1,797 4,800 1,803 0.6,804 5,822 1,823 4,827 3,829 1,855 3,857 1,862 32,871 1,875 1,879 1,886 11.4,889 3,892 2,893 16.333,894 8.267,895 6.889,896 2.501,898 4.385,899 1.517,900 1.038,901 4.855,902 12.87,903 3.97,904 4.627,905 5.276,906 5.937,907 6.496,908 6.908,909 7.412,910 7.784,911 8.261,912 8.535,913 0.875,914 59,915 11.945,917 5.503,918 8.208,919 21.551,921 18.115,924 2.708,925 86.667,928 1,929 129.482,930 168.091,931 43.591,933 126.182,935 31.278,936 136.814,937 255.664,938 43.591,939 5.67,940 21.135,941 92.935,942 118.105,943 29.764,944 11.771,945 137.218,946 50.747,947 129.482,948 180.404,949 126.182,950 31.278,952 129.482,953 75.435,954 50.747,956 30.683,957 127.265,958 22.456,959 31.278,960 129.482,961 169.772,962 168.091,965 129.482,966 66.109,967 110.777,968 18.011,969 142.967,970 129.482,971 169.772,972 168.091,973 0.593,974 0.365,975 0.208,976 0.11,977 28,978 13,979 0.083,980 4,981 3,982 1.208,983 4.137,984 319.597,985 0.25,986 23,987 152,989 1,993 20.13,994 7.718,995 3.321,996 0.48,997 164.102,998 16.582,999 4.004,1002 1.262,1003 1.059,1005 18.011,1006 467.346,1007 52,1010 -0.547,1013 61.868,1017 -1.672,1020 45.655,1021 48.621,1022 0.331,1023 0.638,1024 0.8,1025 0.93,1026 0.975,1027 0.983,1028 5.223,1029 1.625,1030 6.094,1031 5.815,1032 4.673,1033 5.316,1034 2.957,1035 6.987,1036 4.618,1037 6.467,1038 1.366,1039 7.705,1040 4.59,1041 4.369,1042 5.239,1043 2.396,1044 8.052,1045 4.31,1046 7.804,1047 1.316,1048 9.42,1049 3.424,1050 6.34,1051 7.594,1052 4.288,1053 11.226,1054 6.243,1055 9.179,1056 1.249,1057 11.195,1058 3.137,1059 6.868,1060 8.357,1061 4.523,1062 13.124,1063 6.768,1064 10.587,1065 1.16,1066 13.01,1067 3,1068 8.321,1069 10.183,1070 5.981,1071 15.84,1072 8.198,1073 12.018,1074 0.924,1075 14.851,1076 2.582,1077 9.217,1078 11.342,1079 6.562,1080 18.087,1081 9.091,1082 13.468,1083 0.662,1084 16.712,1085 2.182,1086 10.487,1087 12.973,1088 7.802,1089 20.66,1090 10.347,1091 3.428,1092 0.618,1093 18.587,1094 1.719,1095 11.55,1096 14.327,1097 8.55,1098 23.059,1099 11.406,1100 3.01,1101 12.622,1102 20.475,1103 1.372,1104 12.762,1105 15.887,1106 9.672,1107 25.59,1108 12.607,1109 2.82,1110 10.641,1111 22.373,1112 4.739,1113 13.901,1114 17.337,1115 10.509,1116 28.058,1117 13.741,1118 2.551,1119 8.924,1120 24.28,1121 3.93,1122 15.1,1123 18.878,1124 11.564,1125 30.578,1126 14.932,1127 2.425,1128 8.424,1129 26.194,1130 3.768,1131 16.276,1132 20.376,1133 12.452,1134 33.078,1135 16.101,1136 2.372,1137 8.01,1138 28.114,1139 3.493,1140 17.477,1141 21.914,1142 13.468,1143 35.599,1144 17.294,1145 1.962,1146 6.95,1147 30.04,1148 3.263,1149 18.673,1150 23.437,1151 14.386,1152 38.113,1153 18.483,1154 12708,1155 24516,1156 23.986,1157 32.989,1158 55.899,1159 59.415,1160 57.536,1161 55.025,1162 55.084,1163 76.858,1164 11.639,1165 167.098,1166 53.536,1167 5.707,1168 5.963,1169 6.806,1170 5.514,1171 5.428,1172 7.739,1173 4.612,1174 20.622,1175 5.392,1176 16.278,1177 1.553,1178 1.65,1179 1.598,1180 1.528,1181 1.53,1182 2.135,1183 0.323,1184 4.642,1185 1.487,1186 4.172,1187 4.186,1188 4.209,1189 4.102,1190 7.815,1191 4.109,1192 3.939,1193 3.963,1194 4.145,1195 3.867,1196 7.445,1197 3.861,1198 3.786,1199 3.813,1200 3.873,1201 3.766,1202 7.429,1203 3.688,1204 3.677,1205 3.695,1206 3.669,1207 3.44,1208 7.411,1209 3.463,1210 3.482,1211 3.508,1212 3.429,1213 3.328,1214 6.999,1215 3.361,1216 3.322,1217 3.341,1218 3.296,1219 3.055,1220 4.87,1221 3.097,1222 3.222,1223 3.248,1224 3.178,1225 2.893,1226 4.816,1227 2.979,1228 2.894,1229 2.907,1230 2.845,1231 2.726,1232 4.684,1233 2.734,1234 0.133,1235 0.11,1236 0.2,1237 0.123,1238 0.095,1239 4.805,1240 0.132,1241 3.963,1242 0.073,1243 7.192,1244 0.351,1245 4.417,1246 0.094,1247 3.428,1248 4.739,1249 2.612,1250 12.622,1251 3.392,1252 2.116,1253 2.104,1254 2.163,1255 2.206,1256 1.343,1257 2.187,1258 1.902,1259 1.88,1260 1.995,1261 2.004,1262 1.097,1263 1.997,1264 1.527,1265 1.499,1266 1.659,1267 1.827,1268 0.71,1269 1.731,1270 1.427,1271 1.408,1272 1.506,1273 1.638,1274 0.586,1275 1.607,1276 1.358,1277 1.349,1278 1.462,1279 1.568,1280 0.519,1281 1.551,1282 1.338,1283 1.286,1284 1.36,1285 1.469,1286 0.399,1287 1.499,1288 1.052,1289 1.033,1290 1.146,1291 1.409,1292 0.198,1293 1.352,1294 0.968,1295 0.951,1296 1.068,1297 1.096,1298 0.17,1299 1.125,1300 4.29,1302 5.652,1303 2.398,1304 7.222,1305 4.443,1306 8.896,1307 6.26,1308 10.632,1317 2.656,1321 0.975,1326 32.954,1327 79.478,1328 153.367,1329 192.176,1330 223.46,1331 234.215,1332 236.215,1333 79.97,1334 8.485,1335 126.88,1336 155.12,1337 29,1338 13.045,1339 4.807,1340 4.087,1341 45.635,1342 126,1343 136,1344 0.177,1345 202.141,1346 353.26,1347 484.983,1348 60447,1350 22.405,1351 0.7,1352 0.53,1353 22.759,1354 16.958,1355 15.452,1356 0.429,1357 0.284,1358 9.289,1359 14.321,1360 9.08,1361 7.459,1362 15.907,1363 10.233,1364 14.331,1365 0.27,1366 0.147,1367 14.941,1368 7.799,1369 12.647,1370 0.166,1371 0.076,1372 13.263,1373 5.789,1374 11.278,1375 0.105,1376 0.04,1377 11.901,1378 4.239,1379 9.007,1380 0.064,1381 0.02,1382 9.311,1383 2.77,1384 0.274,1385 102.249,1386 0.204,1387 29.424,1388 0.5,1389 178,1390 636.806,1391 221.125,1392 630.493,1393 844.98,1394 582,1395 218,1396 606.618,1397 254.772,1398 620.29,1399 915.78,1400 583,1401 5.071}
{0 CHEMBL1349962,1 1.421,2 9.28,3 3.21,4 10.303,5 98.099,6 7.577,7 0.444,8 3.864,9 3.965,10 3.443,11 3.471,12 5.026,13 3.444,14 4.358,15 4.498,16 3.759,17 3.832,18 5.523,19 3.78,20 4.565,21 4.745,22 3.777,23 3.933,24 5.656,25 3.857,26 4.604,27 4.781,28 3.765,29 3.945,30 5.692,31 3.865,32 4.705,33 4.912,34 3.856,35 3.995,36 5.797,37 3.915,38 4.742,39 4.952,40 3.861,41 3.926,42 5.943,43 3.869,44 4.6,45 4.774,46 3.781,47 3.78,48 5.997,49 3.739,50 4.459,51 4.65,52 3.45,53 3.718,54 5.568,55 3.611,56 0.012,57 0.551,58 8.217,59 4.134,60 6.384,61 5.089,62 0.237,63 0.881,64 15.154,65 6.84,66 27.971,67 8.63,68 0.152,69 1.074,70 19.897,71 8.572,72 33.792,73 10.948,74 0.208,75 1.121,76 20.851,77 8.66,78 44.091,79 10.893,80 0.151,81 1.255,82 23.728,83 9.687,84 38.04,85 12.772,86 0.252,87 1.259,88 25.833,89 9.669,90 58.056,91 12.286,92 0.581,93 1.045,94 22.398,95 8.116,96 94.432,97 9.766,98 0.198,99 0.935,100 18.674,101 7.702,102 41.196,103 9.673,104 14,105 36,106 0.245,107 0.561,108 0.668,109 0.759,110 0.812,111 0.835,112 3.267,113 0.903,114 -4.82,115 -4.73,116 -4.45,120 47.7,122 2,125 1,136 1,137 2,139 1,143 10,144 2,159 2,174 17,176 1,177 3,180 1,182 3,185 20,189 4,194 3,197 19,201 5,206 4,209 15,214 9,219 4,222 13,227 10,232 2,235 12,239 2,240 6,243 2,245 1,247 13,252 4,260 13,264 4,271 9,274 999,275 17.129,276 17.129,277 17.129,278 17.129,279 17.129,280 14.989,281 13.744,282 10.386,283 17.314,284 13.281,285 13.281,286 13.281,287 13.281,288 13.281,289 9.987,290 15.037,291 4.89,292 13.429,293 4.039,294 2.203,295 1.579,296 1.051,297 0.744,298 0.608,299 3.949,305 1,306 1,307 1,308 488,309 3.391,312 73.866,313 178.46,320 1.411,321 23.556,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 53.5,333 232,334 4.542,335 3.685,336 6.699,337 4.164,338 3.167,339 4.088,340 2.443,341 10.857,342 3.155,343 4.147,344 3.641,345 6.145,346 3.777,347 2.786,348 3.679,349 1.058,350 9.068,351 2.759,352 3.777,353 2.937,354 5.617,355 3.392,356 2.384,357 3.239,358 0.286,359 7.248,360 2.397,361 3.633,362 2.798,363 4.992,364 3.304,365 2.32,366 2.812,368 5.897,369 2.259,370 3.284,371 2.071,372 4.593,373 2.809,374 1.818,375 2.551,377 4.649,378 1.798,379 3.139,380 1.882,381 4.32,382 2.657,383 1.646,384 2.293,386 3.996,387 1.657,388 2.717,389 1.462,390 3.859,391 2.239,392 1.237,393 1.734,395 2.994,396 1.236,397 2.596,398 1.421,399 3.491,400 2.069,401 1.066,402 1.566,404 2.59,405 1.065,406 2.5,407 1.307,408 3.467,409 2,410 1,411 1.5,413 2.356,414 1,415 2.5,416 1.134,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.064,425 1,426 3.247,427 1.916,428 0.95,429 1.015,431 2.136,432 0.912,433 1.509,434 1,435 2.958,436 1.302,437 0.393,438 0.419,440 0.706,441 0.353,442 1.346,443 0.621,444 2.412,445 0.98,446 -0.021,447 -0.025,449 -0.038,450 -0.02,451 0.959,452 0.363,453 2.326,454 0.452,455 -0.588,456 -0.776,458 -1.379,459 -0.6,460 0.754,461 -0.235,462 2.226,463 0.309,464 -0.704,465 -1.018,467 -1.64,468 -0.714,469 11.9,470 0.476,471 0.486,472 0.019,473 33,474 1.32,475 18,476 0.72,477 15,478 0.6,479 18.064,480 0.723,481 25.9,482 0.589,483 25.14,484 1.006,485 6.946,486 0.278,487 5.24,488 0.21,489 0.098,491 0.294,496 0.669,497 1.059,498 0.761,499 0.984,500 0.544,501 0.899,502 0.674,503 1.007,504 0.877,505 0.963,506 0.56,507 0.958,508 0.907,509 1.042,510 0.969,511 1.018,512 0.948,513 1.007,514 1.105,515 1.088,516 1.115,517 1.045,518 1.208,519 1.075,520 0.813,521 1.078,522 0.901,523 1.031,524 0.861,525 0.982,526 1.276,527 0.997,528 0.937,529 0.957,530 1.359,531 0.897,532 1.467,533 0.906,534 1.071,535 0.924,536 1.521,537 0.936,538 1.195,539 1.1,540 1.234,541 1.151,542 1.154,543 1.195,544 4,545 0.054,546 2.667,547 1.444,548 0.997,549 1.011,550 0.657,551 0.347,552 0.175,553 0.104,554 6526,555 18348,556 2.062,557 43.2,558 2,559 14,562 1,563 2,567 1.688,568 1.948,569 3.192,570 -0.396,571 1,572 1,575 62.511,576 1.421,577 3.257,578 3.88,579 4.408,580 4.715,581 4.851,582 2.661,583 4.134,584 4.612,585 3.336,586 1000.68,587 8.018,588 12123.7,590 1,592 1,593 240.215,594 1.323,595 4.583,596 0.148,597 0.005,598 0.074,599 0.04,600 0.028,601 0.027,602 0.018,603 0.011,604 0.007,605 0.006,606 0.364,607 0.33,608 1,609 1.296,610 119.321,611 -0.023,612 -0.005,613 0.034,614 0.005,615 -0.037,616 0.026,617 0.167,618 0.011,619 -0.004,620 0.022,621 0.071,622 -0.016,623 -0.072,624 -0.053,625 -0.048,626 -0.032,627 -0.063,628 -0.037,629 -0.154,630 -0.083,631 -0.184,632 -0.074,633 -0.175,634 -0.125,635 -0.007,636 -0.071,637 0.05,638 -0.06,639 0.015,640 -0.004,641 -0.077,642 -0.003,643 0.082,644 -0.001,645 -0.026,646 0.059,647 0.175,648 0.075,649 -0.026,650 0.024,651 0.148,652 -0.026,653 -0.166,654 -0.143,655 -0.271,656 -0.169,657 -0.15,658 -0.227,659 1.959,660 5.55,661 0.68,662 22.118,663 1.001,664 1.111,665 3.594,666 12.918,667 0.687,668 3.332,669 3.611,670 3.871,671 4.111,672 4.317,673 4.382,674 4.511,675 4.543,676 4.554,677 4.477,678 5.691,679 0.657,680 333.41,681 3.332,682 4.844,683 5.68,684 6.541,685 7.403,686 8.277,687 9.152,688 10.033,689 10.914,690 11.8,691 2.3,698 1,709 10,714 2,716 12,738 44,739 16,740 2,741 27,743 46,744 21,745 12,746 2,747 10,748 5,752 3,753 3,766 2,768 18,769 3,772 4,778 2,780 1,782 5,785 1,786 1,789 19,790 4,791 1,792 4,797 1,803 1,804 3,822 1,823 2,838 1,841 1,845 2,846 2,855 3,859 1,862 25,869 2,871 1,872 1,886 6.8,889 2,891 1,893 12.833,894 8.167,895 5.694,896 2.556,898 2.79,899 1.408,900 0.98,901 5.344,902 9.623,903 3.638,904 4.174,905 4.714,906 5.243,907 5.762,908 5.964,909 6.407,910 6.732,911 7.079,912 7.298,913 1,914 36,915 9.24,917 3.868,918 7.847,919 17.463,921 13.975,924 2.347,925 58.667,928 1,929 211.88,930 147.586,931 18.011,933 61.29,936 147.586,937 273.17,938 18.011,939 10.883,940 23.08,941 104.239,942 64.943,943 23.742,945 211.88,947 211.88,948 165.597,949 61.29,952 211.88,953 61.29,956 23.08,957 130.284,958 12.233,960 211.88,961 79.3,962 147.586,965 211.88,966 32.464,967 115.122,968 18.011,969 61.29,970 211.88,971 79.3,972 147.586,973 0.565,974 0.33,975 0.174,976 0.099,977 16,978 7,979 0.13,980 6,982 1,983 3.668,984 203.112,986 17,987 108.096,993 17.032,994 7.845,995 3.998,997 79.3,998 19.347,1003 1.883,1005 18.011,1006 438.766,1007 37,1013 24.119,1015 1.858,1017 1.762,1020 44.036,1021 48.863,1022 0.26,1023 0.597,1024 0.711,1025 0.807,1026 0.864,1027 0.889,1028 4.844,1029 1.066,1030 5.638,1031 2.994,1032 4.29,1033 4.86,1034 2.586,1035 6.422,1036 4.274,1037 6.034,1038 1,1039 7.177,1040 2.59,1041 3.761,1042 4.477,1043 2.243,1044 7.298,1045 3.753,1046 7.327,1047 1,1048 8.822,1049 2.356,1050 5.844,1051 6.973,1052 3.894,1053 10.418,1054 5.814,1055 8.658,1056 0.95,1057 10.534,1058 2.136,1059 6.196,1060 7.423,1061 4.269,1062 12.183,1063 6.168,1064 10.024,1065 0.393,1066 12.29,1067 2.136,1068 7.706,1069 9.368,1070 5.498,1071 14.806,1072 7.667,1073 11.415,1074 -0.021,1075 14.076,1076 0.706,1077 8.468,1078 10.229,1079 6.158,1080 16.92,1081 8.428,1082 12.826,1083 -0.588,1084 15.884,1085 -0.038,1086 9.745,1087 11.915,1088 7.211,1089 19.378,1090 9.699,1091 3.167,1092 -0.704,1093 17.708,1094 -1.379,1095 10.704,1096 13.003,1097 7.992,1098 21.637,1099 10.656,1100 2.786,1101 10.857,1102 19.545,1103 -1.64,1104 11.888,1105 14.554,1106 8.964,1107 24.038,1108 11.835,1109 2.384,1110 9.068,1111 21.391,1112 4.088,1113 12.94,1114 15.772,1115 9.802,1116 26.36,1117 12.885,1118 2.32,1119 7.248,1120 23.244,1121 3.679,1122 14.09,1123 17.249,1124 10.734,1125 28.743,1126 14.031,1127 1.818,1128 5.897,1129 25.104,1130 3.239,1131 15.188,1132 18.542,1133 11.599,1134 31.094,1135 15.125,1136 1.646,1137 4.649,1138 26.969,1139 2.812,1140 16.327,1141 19.98,1142 12.512,1143 33.471,1144 16.261,1145 1.237,1146 3.996,1147 28.839,1148 2.551,1149 17.447,1150 21.318,1151 13.391,1152 35.837,1153 17.378,1154 6442,1155 10892,1156 18.087,1157 30.222,1158 39.925,1159 41.64,1160 41.271,1161 39.434,1162 39.537,1163 52.792,1164 7.574,1165 109.265,1166 39.181,1167 5.427,1168 5.685,1169 6.501,1170 5.172,1171 5.167,1172 7.088,1173 4.174,1174 18.008,1175 5.155,1176 10.967,1177 1.479,1178 1.542,1179 1.529,1180 1.461,1181 1.464,1182 1.955,1183 0.281,1184 4.047,1185 1.451,1186 4.034,1187 4.058,1188 3.988,1189 3.97,1190 7.433,1191 3.97,1192 3.885,1193 3.914,1194 3.818,1195 3.834,1196 7.428,1197 3.826,1198 3.708,1199 3.74,1200 3.635,1201 3.607,1202 4.815,1203 3.609,1204 3.604,1205 3.627,1206 3.524,1207 3.397,1208 4.743,1209 3.416,1210 3.249,1211 3.313,1212 3.104,1213 3.025,1214 4.501,1215 3.039,1216 2.996,1217 3.05,1218 2.869,1219 2.832,1220 4.403,1221 2.822,1222 2.902,1223 2.925,1224 2.783,1225 2.735,1226 3.957,1227 2.719,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.168,1235 0.136,1236 0.248,1237 0.154,1238 0.117,1239 4.542,1240 0.151,1241 3.685,1242 0.09,1243 6.699,1244 0.402,1245 4.164,1246 0.117,1247 3.167,1248 4.088,1249 2.443,1250 10.857,1251 3.155,1252 1.953,1253 1.931,1254 2.06,1255 2.021,1256 1.255,1257 2.035,1258 1.902,1259 1.876,1260 2.02,1261 1.981,1262 1.102,1263 1.995,1264 1.648,1265 1.615,1266 1.832,1267 1.814,1268 1.001,1269 1.815,1270 1.412,1271 1.391,1272 1.602,1273 1.619,1274 0.686,1275 1.602,1276 1.297,1277 1.256,1278 1.513,1279 1.536,1280 0.574,1281 1.512,1282 1.147,1283 1.068,1284 1.391,1285 1.424,1286 0.449,1287 1.446,1288 0.886,1289 0.823,1290 1.181,1291 1.085,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.007,1302 5.293,1303 2.398,1304 6.777,1305 4.727,1306 8.345,1307 6.823,1308 9.96,1310 1.368,1315 0.671,1317 2.92,1318 4.739,1326 28.907,1327 62.511,1328 143.29,1329 170.731,1330 193.95,1331 207.46,1332 213.46,1333 45.676,1334 6.833,1335 59.16,1336 59.16,1337 17,1338 12.333,1339 4.087,1340 3.459,1341 41.39,1342 81,1343 89,1344 0.243,1345 179.538,1346 323.95,1347 429.834,1348 7079,1350 17.648,1351 0.706,1352 0.56,1353 17.648,1354 13.99,1355 12.186,1356 0.451,1357 0.301,1358 8.04,1359 11.83,1360 7.828,1361 6.524,1362 12.186,1363 8.126,1364 10.423,1365 0.29,1366 0.159,1367 10.423,1368 5.713,1369 8.792,1370 0.187,1371 0.088,1372 8.792,1373 4.12,1374 6.96,1375 0.116,1376 0.047,1377 6.96,1378 2.836,1379 5.588,1380 0.076,1381 0.025,1382 5.588,1383 1.877,1384 0.37,1385 75.794,1386 0.235,1387 24.018,1388 0.7,1389 126,1390 381.539,1391 135.471,1392 368.098,1393 495.59,1394 344,1395 146,1396 352.072,1397 154.145,1398 359.817,1399 520.24,1400 338,1401 4.835}
{0 CHEMBL1350003,1 1.634,2 11.167,3 5.686,4 32.328,5 122.041,6 8.331,7 0.667,8 4.021,9 4.121,10 3.724,11 3.639,12 5.221,13 3.605,14 4.468,15 4.606,16 4.084,17 3.991,18 5.606,19 3.938,20 4.645,21 4.807,22 4.123,23 4.047,24 5.823,25 3.975,26 4.693,27 4.903,28 3.968,29 3.955,30 5.765,31 3.86,32 4.568,33 4.785,34 3.906,35 3.842,36 5.659,37 3.766,38 4.484,39 4.673,40 3.947,41 3.866,42 5.647,43 3.799,44 4.539,45 4.742,46 3.942,47 3.953,48 5.615,49 3.868,50 4.541,51 4.714,52 3.959,53 4.033,54 5.602,55 3.936,56 0.068,57 0.715,58 8.9,59 4.475,60 11.046,61 5.146,62 0.15,63 1.116,64 16.746,65 7.297,66 16.55,67 8.513,68 0.34,69 1.358,70 21.9,71 8.504,72 34.592,73 10.131,74 0.295,75 1.408,76 27.157,77 9.36,78 36.882,79 11.039,80 0.314,81 1.241,82 22.853,83 7.843,84 37.577,85 9.399,86 0.324,87 1.23,88 20.996,89 6.793,90 34.191,91 7.685,92 0.276,93 1.249,94 21.603,95 7.643,96 30.79,97 9.199,98 0.215,99 1.209,100 20.029,101 8.173,102 22.172,103 9.769,104 11,105 45,106 0.27,107 0.601,108 0.757,109 0.869,110 0.876,111 0.876,112 3.44,113 0.92,114 -4.89,115 -4.8,116 -4.5,120 46,121 1,125 1,143 11,144 2,145 3,147 1,153 1,156 1,159 1,162 1,167 1,174 11,177 4,180 1,182 3,185 11,188 1,189 8,192 3,194 5,197 8,200 1,201 8,206 2,209 1,213 1,214 9,219 4,222 2,226 1,227 10,230 1,232 4,235 3,240 7,243 1,245 1,247 9,252 3,255 1,260 18,263 1,264 1,268 1,271 19,274 1802,275 20.541,276 20.541,277 20.541,278 20.541,279 20.541,280 17.5,281 17.379,282 12.197,283 21.092,284 16.247,285 16.247,286 16.247,287 16.247,288 16.247,289 11.716,290 19.871,291 5.756,292 17.129,293 4.01,294 2.012,295 1.071,296 0.39,297 0.35,298 0.35,299 4.139,307 1,308 725,309 3.464,312 70.231,313 316.084,316 137.906,320 1.511,321 21.324,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 64,333 335,334 4.509,335 3.21,336 6.378,337 3.973,338 3.063,339 4.43,340 0.86,341 9.911,342 2.788,343 4.25,344 3.129,345 6.069,346 3.825,347 2.866,348 3.908,349 0.721,350 8.757,351 2.746,352 4.082,353 2.838,354 5.931,355 3.655,356 2.691,357 3.649,359 8.385,360 2.6,361 3.893,362 2.642,363 5.376,364 3.432,365 2.462,366 3.369,368 6.982,369 2.371,370 3.606,371 2.439,372 5.222,373 3.204,374 2.236,375 2.945,377 6.508,378 2.154,379 3.379,380 2.216,381 4.889,382 3,383 2.027,384 2.675,386 5.67,387 1.967,388 3.08,389 1.982,390 4.414,391 2.521,392 1.566,393 2.3,395 4.312,396 1.496,397 3.032,398 1.742,399 4.274,400 2.464,401 1.532,402 2.298,404 3.934,405 1.42,406 2.885,407 1.532,408 4.205,409 2.456,410 1.531,411 2.023,413 3.836,414 1.395,415 2.795,416 1.459,417 3.596,418 2.254,419 1.295,420 1.865,422 2.888,423 1.231,424 2.5,425 1.193,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.469,434 1,435 3.404,436 1.823,437 0.906,438 1.294,440 2.218,441 0.823,442 1.847,443 0.941,444 3,445 1.425,446 0.537,447 0.621,449 0.935,450 0.471,451 1.731,452 0.554,453 2.895,454 1.239,455 0.347,456 0.521,458 0.86,459 0.304,460 1.493,461 0.347,462 2.82,463 1.137,464 0.192,465 0.234,467 0.423,468 0.181,469 14.6,470 0.487,471 0.639,472 0.021,473 43.25,474 1.442,475 24.5,476 0.817,477 18.75,478 0.625,479 21.957,480 0.732,481 30.4,482 0.608,483 32.074,484 1.069,485 8.772,486 0.292,487 5.846,488 0.195,489 0.091,491 0.308,496 0.883,497 1.012,498 0.727,499 0.858,500 0.945,501 0.823,502 0.974,503 1.084,504 0.796,505 0.913,506 0.742,507 0.849,508 0.868,509 1.179,510 0.994,511 1.116,512 0.879,513 1.065,514 1.181,515 1.248,516 1.159,517 1.127,518 1.102,519 1.037,520 1.215,521 1.144,522 0.927,523 0.827,524 1.129,525 0.816,526 1.1,527 1.157,528 1.244,529 0.962,530 0.908,531 0.875,532 0.886,533 0.879,534 1.051,535 0.817,536 0.677,537 0.808,538 0.755,539 0.88,540 1.104,541 0.973,542 0.7,543 0.984,544 6,545 0.234,546 3.111,547 1.604,548 1.583,549 0.573,550 0.52,551 0.405,552 0.326,553 0.273,554 12328,555 34092,556 2.107,557 40,558 3,559 14,561 1,562 2,567 1.732,568 2,569 3.461,570 0.21,575 81.712,576 1.634,577 3.632,578 4.573,579 5.254,580 5.294,581 5.294,582 2.836,583 4.257,584 4.878,585 3.64,586 1583.51,587 8.533,588 22918.4,593 282.193,594 1.295,595 4.851,596 0.182,597 0.007,598 0.069,599 0.036,600 0.043,601 0.016,602 0.014,603 0.01,604 0.008,605 0.007,606 0.393,607 0.17,608 1,609 0.659,610 155.031,611 -0.022,612 0.035,613 0.051,614 0.054,615 -0.123,616 0.038,617 -0.025,618 -0.056,619 0.118,620 0.058,621 0.007,622 0.06,623 0.166,624 -0.124,625 -0.021,626 -0.147,627 0.09,628 -0.155,629 -0.097,630 -0.196,631 -0.062,632 -0.117,633 -0.08,634 -0.079,635 -0.083,636 -0.079,637 0.099,638 0.126,639 -0.021,640 0.125,641 -0.087,642 0.046,643 -0.122,644 0.035,645 -0.032,646 0.006,647 -0.099,648 0.237,649 -0.024,650 0.166,651 -0.003,652 0.128,653 -0.07,654 0.172,655 -0.131,656 0.029,657 -0.107,658 -0.037,659 1.589,660 3.736,661 0.7,662 30.071,663 1.004,664 1.113,665 3.659,666 13.385,667 0.713,668 3.526,669 3.829,670 4.078,671 4.304,672 4.522,673 4.522,674 4.615,675 4.754,676 4.787,677 4.92,678 7.032,679 0.678,680 416.54,681 3.526,682 5.056,683 5.894,684 6.756,685 7.61,686 8.475,687 9.337,688 10.203,689 11.069,690 11.937,691 8,696 1,700 2,701 1,708 2,709 11,710 1,713 1,714 6,716 22,719 1,729 1,734 1,735 1,738 50,739 24,740 3,741 33,743 53,744 23,745 19,746 7,747 11,748 2,752 4,753 5,759 1,768 21,769 2,772 2,780 1,781 2,782 1,789 20,790 6,791 2,792 7,793 1,797 4,799 1,803 0.75,804 2,822 1,823 3,826 1,855 3,857 1,859 2,862 30,868 1,871 1,872 1,879 1,886 4,888 1,891 1,893 15,894 9.633,895 6.667,896 2.744,898 3.997,899 1.539,900 0.986,901 6.17,902 11.409,903 3.85,904 4.48,905 5.084,906 5.665,907 6.214,908 6.465,909 6.846,910 7.3,911 7.571,912 8.037,913 1,914 44,915 10.995,917 4.575,918 7.694,919 20.917,921 16.688,924 2.194,925 65.833,929 211.88,930 184.791,931 68.122,933 53.683,935 31.278,936 153.513,937 265.563,938 68.122,939 19.708,941 104.239,942 101.556,943 60.841,944 0.746,945 231.386,947 211.88,948 221.635,949 53.683,950 31.278,952 211.88,953 53.683,956 45.225,957 132.567,958 43.844,959 31.278,960 211.88,961 121.806,962 184.791,965 211.88,966 51.796,967 132.994,968 18.011,969 103.795,970 211.88,971 121.806,972 184.791,973 0.575,974 0.335,975 0.176,976 0.098,977 21,978 9,979 0.113,980 6,981 1,982 1.095,983 4.234,984 260.929,985 0.095,986 21,987 143.207,989 1,993 20.205,994 9.161,995 4.926,996 2.001,997 121.806,998 21.006,999 4.69,1002 1.551,1003 4.046,1005 60.694,1006 518.476,1007 46,1015 1.603,1016 8.637,1017 0.557,1020 50.207,1021 55.654,1022 0.29,1023 0.644,1024 0.81,1025 0.931,1026 0.938,1027 0.938,1028 5.059,1029 1.532,1030 5.861,1031 4.312,1032 4.511,1033 5.168,1034 1.258,1035 6.627,1036 4.406,1037 6.277,1038 1.531,1039 7.391,1040 3.934,1041 4.007,1042 4.902,1044 7.413,1045 3.834,1046 7.58,1047 1.295,1048 9.016,1049 3.836,1050 6.066,1051 7.404,1052 0.969,1053 10.475,1054 5.858,1055 8.919,1056 1,1057 10.696,1058 2.888,1059 6.382,1060 7.973,1062 12.082,1063 6.075,1064 10.287,1065 0.906,1066 12.412,1067 2.275,1068 7.883,1069 9.91,1070 0.737,1071 14.636,1072 7.556,1073 11.676,1074 0.537,1075 14.152,1076 2.218,1077 8.587,1078 10.899,1080 16.596,1081 8.147,1082 13.081,1083 0.347,1084 15.91,1085 0.935,1086 9.852,1087 12.582,1088 0.557,1089 18.965,1090 9.386,1091 3.063,1092 0.192,1093 17.681,1094 0.86,1095 10.749,1096 13.796,1098 21.086,1099 10.169,1100 2.866,1101 9.911,1102 19.463,1103 0.423,1104 11.91,1105 15.358,1106 0.418,1107 23.386,1108 11.29,1109 2.691,1110 8.757,1111 21.253,1112 4.43,1113 12.904,1114 16.693,1116 25.583,1117 12.175,1118 2.462,1119 8.385,1120 23.049,1121 3.908,1122 14.02,1123 18.2,1124 0.313,1125 27.86,1126 13.238,1127 2.236,1128 6.982,1129 24.851,1130 3.649,1131 15.063,1132 19.6,1134 30.094,1135 14.179,1136 2.027,1137 6.508,1138 26.657,1139 3.369,1140 16.163,1141 21.085,1142 0.233,1143 32.366,1144 15.213,1145 1.566,1146 5.67,1147 28.468,1148 2.945,1149 17.231,1150 22.52,1152 34.62,1153 16.184,1154 11703,1155 19647,1156 22.364,1157 35.671,1158 49.288,1159 49.417,1160 49.957,1161 48.455,1162 48.502,1163 67.261,1164 3.162,1165 135.789,1166 45.893,1167 5.34,1168 5.21,1169 6.061,1170 5.089,1171 5.063,1172 7.43,1173 1.72,1174 16.569,1175 4.788,1176 13.049,1177 1.494,1178 1.497,1179 1.514,1180 1.468,1181 1.47,1182 2.038,1183 0.096,1184 4.115,1185 1.391,1186 4.066,1187 4.085,1188 4.324,1189 4.053,1190 6.47,1191 4.009,1192 3.933,1193 3.958,1194 3.892,1195 3.862,1196 5.049,1197 3.86,1198 3.904,1199 3.928,1200 3.844,1201 3.834,1202 4.876,1203 3.834,1204 3.536,1205 3.594,1206 3.53,1207 3.398,1208 4.759,1209 3.39,1210 3.299,1211 3.351,1212 3.332,1213 3.117,1214 4.697,1215 3.118,1216 3.201,1217 3.268,1218 3.127,1219 3.054,1220 4.375,1221 3.044,1222 3.182,1223 3.249,1224 3.013,1225 2.938,1226 4.233,1227 2.942,1228 2.935,1229 2.999,1230 2.881,1231 2.802,1232 4.028,1233 2.775,1234 0.137,1235 0.097,1236 0.193,1237 0.12,1238 0.093,1239 4.509,1240 0.134,1241 3.21,1242 0.026,1243 6.378,1244 0.3,1245 3.973,1246 0.084,1247 3.063,1248 4.43,1249 0.86,1250 9.911,1251 2.788,1252 1.917,1253 1.888,1254 2.037,1255 2.018,1256 1.133,1257 2.023,1258 1.898,1259 1.88,1260 1.98,1261 1.989,1262 1.1,1263 1.986,1264 1.887,1265 1.87,1266 1.977,1267 1.963,1268 1.069,1269 1.979,1270 1.499,1271 1.467,1272 1.587,1273 1.697,1274 0.66,1275 1.673,1276 1.23,1277 1.175,1278 1.57,1279 1.522,1280 0.577,1281 1.538,1282 1.192,1283 1.127,1284 1.426,1285 1.41,1286 0.525,1287 1.438,1288 1.119,1289 1.058,1290 1.259,1291 1.32,1292 0.283,1293 1.323,1294 0.917,1295 0.887,1296 1.181,1297 1.115,1298 0.218,1299 1.121,1300 4.205,1302 5.509,1303 2.398,1304 7.002,1305 4.727,1306 8.578,1307 6.843,1308 10.194,1310 3.549,1314 9.736,1317 3.321,1318 5.137,1326 33.917,1327 81.712,1328 181.61,1329 228.629,1330 262.683,1331 264.683,1332 264.683,1333 43.353,1334 7.412,1335 79.1,1336 107.34,1337 23,1338 12.482,1339 4.644,1340 3.807,1341 46.823,1342 119,1343 126,1344 0.176,1345 212.993,1346 361.83,1347 511.462,1348 15778,1350 20.924,1351 0.697,1352 0.578,1353 21.278,1354 17.35,1355 14.619,1356 0.443,1357 0.307,1358 9.252,1359 13.701,1360 8.892,1361 7.458,1362 15.027,1363 10.115,1364 12.913,1365 0.287,1366 0.17,1367 13.556,1368 7.633,1369 10.898,1370 0.188,1371 0.093,1372 11.72,1373 5.422,1374 8.715,1375 0.119,1376 0.051,1377 9.603,1378 3.702,1379 7.194,1380 0.079,1381 0.028,1382 7.994,1383 2.537,1384 0.278,1385 95.257,1386 0.211,1387 28.469,1388 0.482,1389 156,1390 458.014,1391 194.433,1392 471.126,1393 652.09,1394 442,1395 181,1396 473.499,1397 218.472,1398 499.896,1399 723.37,1400 468,1401 6.796}
{0 CHEMBL1350077,1 2.011,2 9.682,3 2.04,4 4.163,5 78.185,6 9.95,7 0.25,8 3.65,9 3.737,10 3.482,11 3.232,12 4.901,13 3.233,14 4.23,15 4.348,16 4.012,17 3.65,18 6.013,19 3.633,20 4.406,21 4.568,22 3.944,23 3.687,24 5.782,25 3.651,26 4.358,27 4.531,28 3.71,29 3.429,30 5.971,31 3.423,32 4.058,33 4.26,34 3.339,35 3.181,36 5.436,37 3.149,38 3.809,39 3.975,40 3.381,41 3.142,42 5.24,43 3.082,44 3.891,45 4.063,46 3.265,47 3.122,48 5.312,49 3.1,50 3.809,51 3.986,52 3.161,53 3.029,54 5.191,55 3.01,56 0.232,57 0.724,58 3.364,59 3.273,60 43.379,61 2.899,62 0.892,63 1.515,64 10.53,65 5.962,66 153.472,67 5.406,68 0.68,69 1.226,70 18.387,71 7.578,72 104.283,73 7.262,74 1.001,75 1.14,76 19.312,77 7.051,78 166.062,79 5.911,80 0.758,81 0.83,82 13.04,83 4.978,84 127.284,85 4.451,86 0.423,87 0.677,88 10.071,89 3.995,90 40.93,91 4.116,92 0.537,93 0.725,94 11.393,95 4.359,96 83.617,97 3.765,98 0.493,99 0.669,100 8.196,101 3.909,102 82.46,103 3.693,104 27,105 36,106 0.375,107 0.727,108 0.824,109 0.847,110 0.847,111 0.847,112 3.146,113 0.926,114 -3.44,115 -3.42,116 -3.27,120 42.4,122 2,129 1,133 1,138 1,139 1,143 4,144 1,145 1,159 2,174 5,176 2,177 4,182 2,185 5,189 2,194 3,197 3,200 1,201 3,204 2,206 1,219 1,222 2,227 4,230 1,232 1,235 2,240 4,247 3,252 4,260 4,264 2,271 3,274 574,275 14.195,276 14.195,277 14.195,278 14.195,279 14.195,280 13.028,281 19.354,282 7.974,283 14.729,284 11.803,285 11.803,286 11.803,287 11.803,288 11.803,289 9.91,290 22.352,291 3.754,292 12.775,293 3.034,294 1.151,295 0.629,296 0.508,297 0.508,298 0.508,299 3.817,305 1,306 1,307 1,308 455,309 3.391,312 106.77,313 72.902,315 87.425,320 1.529,321 46.471,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 51.5,333 213,334 4.444,335 4.705,336 7.111,337 4.19,338 3.313,339 3.838,340 3.825,341 11.657,342 3.034,343 4.43,344 4.46,345 6.873,346 4.17,347 3.256,348 3.703,349 3.152,350 11.38,351 2.874,352 3.852,353 3.704,354 5.697,355 3.48,356 2.526,357 3.175,358 1.945,359 7.473,360 2.388,361 3.69,362 3.393,363 5.344,364 3.305,365 2.328,366 2.92,367 1.07,368 6.924,369 2.256,370 3,371 2.913,372 5.009,373 2.749,374 1.819,375 2.08,376 0.4,377 5.523,378 1.656,379 2.989,380 2.649,381 4.588,382 2.577,383 1.652,384 2,385 0.11,386 4.717,387 1.489,388 2.838,389 1.988,390 4.427,391 2.354,392 1.39,393 1.815,395 3.92,396 1.308,397 2.5,398 1.466,399 3.5,400 2,401 1,402 1.5,404 2.275,405 1,406 1.885,407 1.213,408 3.414,409 1.724,410 0.729,411 0.798,413 1.8,414 0.717,415 1.719,416 1.098,417 3.206,418 1.465,419 0.565,420 0.622,422 1.383,423 0.496,424 1.209,425 1,426 2.772,427 0.719,428 -0.259,429 -0.34,431 -0.653,432 -0.245,433 0.872,434 0.51,435 2.414,436 0.467,437 -0.556,438 -0.748,440 -1.278,441 -0.551,442 0.5,443 0.51,444 2.16,445 0.132,446 -0.852,447 -1,449 -2.247,450 -0.7,451 0.475,452 0.224,453 2,455 -1,456 -1,458 -3,459 -0.7,460 0.165,461 0.024,462 2,463 -0.255,464 -1,465 -1.026,467 -3,468 -0.829,469 10.157,470 0.462,471 0.813,472 0.037,473 25.5,474 1.159,475 11,476 0.5,477 14.5,478 0.659,479 17.362,480 0.789,481 24.643,482 0.747,483 19.309,484 0.878,485 4.945,486 0.225,487 5.414,488 0.246,489 0.15,490 0.049,491 0.335,493 3,496 0.579,497 0.92,498 0.612,499 0.882,500 0.563,501 0.832,502 0.393,503 0.744,504 0.806,505 0.995,506 0.391,507 0.972,508 0.703,509 0.891,510 1.057,511 1.228,512 0.656,513 1.1,514 1.196,515 1.019,516 1.306,517 1.141,518 1.189,519 1.154,520 1.26,521 0.881,522 1.054,523 0.714,524 1.231,525 0.923,526 0.427,527 0.53,528 1.068,529 1.025,530 0.497,531 1.012,532 1.089,533 0.856,534 1.239,535 0.973,536 0.998,537 1.001,538 1.031,539 0.88,540 0.889,541 0.848,542 1.011,543 1.043,544 6,545 0.163,546 3.333,547 2.139,548 1.037,549 0.67,550 0.375,551 0.281,552 0.219,553 0.188,554 5208,555 22768,556 2.006,557 33.3,559 4,560 2,562 1,563 2,565 2,567 1.637,568 1.821,569 3.229,570 -0.175,572 1,574 1,575 66.353,576 2.011,577 3.894,578 4.415,579 4.537,580 4.537,581 4.537,582 2.681,583 3.754,584 4.435,585 3.437,586 793.989,587 7.577,588 8925.47,589 1,590 1,592 1,593 166.465,594 1.742,595 4.35,596 0.25,597 0.013,598 0.093,599 0.065,600 0.041,601 0.037,602 0.02,603 0.016,604 0.014,605 0.013,606 0.56,607 0.5,608 1,609 0.891,610 102.443,611 -0.048,612 -0.057,613 0.023,614 0.039,615 -0.053,616 0.033,617 0.374,618 0.247,619 0.073,620 0.022,621 0.345,622 -0.071,623 -0.045,624 -0.162,625 -0.008,626 -0.187,628 -0.072,629 -0.174,630 -0.099,631 -0.243,632 -0.141,633 -0.141,634 -0.173,635 -0.284,636 0.015,637 -0.104,638 0.188,639 -0.257,640 0.086,641 0.199,642 0.213,643 -0.015,644 0.015,645 0.097,646 -0.007,647 -0.238,648 -0.001,649 -0.26,650 0.005,651 -0.137,652 -0.014,653 -0.172,654 -0.027,655 -0.082,656 0.011,657 -0.142,658 -0.049,659 5.626,660 5.031,661 0.636,662 17.289,663 1.054,664 1.147,665 2.208,666 4.874,667 0.695,668 3.219,669 3.611,670 3.85,671 4.078,672 4.174,673 4.248,674 4.29,675 4.19,676 4.277,677 4.394,678 5.977,679 0.696,680 328.34,681 3.219,682 4.796,683 5.652,684 6.555,685 7.43,686 8.332,687 9.213,688 10.116,689 11.001,690 11.904,691 6.1,696 1,698 1,709 4,714 2,716 6,729 1,738 33,739 9,740 1,741 24,743 35,744 14,745 6,746 2,747 4,748 3,752 3,753 4,759 1,763 2,765 1,766 2,768 10,769 4,772 3,778 2,780 1,782 3,785 1,786 1,787 3,789 11,790 7,791 1,792 8,793 1,797 2,800 1,803 0.667,804 2,822 2,823 1,825 1,845 1,855 2,856 1,857 1,861 3,862 22,869 2,871 1,873 1,874 1,875 1,876 1,885 3,886 6.1,889 2,893 12.083,894 5.879,895 4.611,896 1.906,898 1.845,899 1.269,900 0.984,901 3.854,902 8.713,903 3.434,904 3.98,905 4.434,906 4.859,907 5.234,908 5.404,909 5.623,910 5.797,911 6.165,912 6.473,913 1,914 33,915 8.586,917 4.247,918 8.602,919 14.697,921 12.428,924 3.102,925 68.25,929 117.711,930 108.903,931 21.135,933 50.29,934 44.88,935 32.22,936 76.683,937 168.001,938 66.015,940 17.241,941 37.905,942 79.261,943 50.823,944 23.542,945 126.388,946 7.76,947 117.711,948 97.818,949 95.17,950 32.22,952 94.169,953 118.712,956 15.953,957 62.304,958 19.561,959 32.22,960 162.591,961 71.425,962 108.903,965 125.471,966 54.191,967 50.077,968 18.011,969 95.17,970 117.711,971 116.305,972 108.903,973 0.609,974 0.347,975 0.171,976 0.082,977 19,978 9,979 0.057,980 2,981 1,982 1.143,983 3.409,984 170.145,985 0.143,986 14,987 89.353,989 1,993 15.292,994 5.544,995 2.985,997 116.305,998 4.505,1003 -0.296,1005 18.011,1006 342.919,1007 30,1013 23.586,1015 1.432,1017 -0.143,1020 34.774,1021 37.846,1022 0.399,1023 0.772,1024 0.875,1025 0.899,1026 0.899,1027 0.899,1028 4.732,1029 1,1030 5.714,1031 3.92,1032 4.29,1033 4.663,1034 3.903,1035 6.6,1036 4.143,1037 5.959,1038 0.729,1039 7.338,1040 2.275,1041 4.205,1042 4.605,1043 3.987,1044 7.847,1045 3.883,1046 7.295,1047 0.565,1048 9.071,1049 1.8,1050 6.023,1051 6.74,1052 6.097,1053 10.859,1054 5.698,1055 8.661,1056 -0.259,1057 10.869,1058 1.383,1059 6.711,1060 7.402,1061 6.718,1062 12.883,1063 6.203,1064 10.058,1065 -0.556,1066 12.708,1067 -0.653,1068 8.098,1069 9.1,1070 8.553,1071 15.501,1072 7.559,1073 11.473,1074 -0.852,1075 14.575,1076 -1.278,1077 9.09,1078 10.073,1079 9.398,1080 17.799,1081 8.388,1082 12.904,1083 -1,1084 16.461,1085 -2.247,1086 10.339,1087 11.594,1088 11.091,1089 20.301,1090 9.574,1091 3.313,1092 -1,1093 18.362,1094 -3,1095 11.45,1096 12.72,1097 12.078,1098 22.694,1099 10.546,1100 3.256,1101 11.657,1102 20.275,1103 -3,1104 12.655,1105 14.157,1106 13.67,1107 25.158,1108 11.669,1109 2.526,1110 11.38,1111 22.195,1112 3.838,1113 13.812,1114 15.365,1115 14.76,1116 27.585,1117 12.704,1118 2.328,1119 7.473,1120 24.123,1121 3.703,1122 15.004,1123 16.757,1124 16.278,1125 30.037,1126 13.804,1127 1.819,1128 6.924,1129 26.055,1130 3.175,1131 16.18,1132 18.013,1133 17.442,1134 32.476,1135 14.869,1136 1.652,1137 5.523,1138 27.991,1139 2.92,1140 17.369,1141 19.38,1142 18.907,1143 34.924,1144 15.962,1145 1.39,1146 4.717,1147 29.93,1148 2.08,1149 18.553,1150 20.665,1151 20.125,1152 37.368,1153 17.042,1154 5108,1155 10797,1156 15.315,1157 22.949,1158 37.691,1159 40.14,1160 38.338,1161 37.361,1162 37.158,1163 44.902,1164 21.005,1165 114.103,1166 34.436,1167 5.444,1168 6.705,1169 6.525,1170 5.345,1171 5.313,1172 6.838,1173 6.975,1174 18.796,1175 5.034,1176 13.158,1177 1.57,1178 1.672,1179 1.597,1180 1.557,1181 1.548,1182 1.871,1183 0.875,1184 4.754,1185 1.435,1186 3.976,1187 4.006,1188 4.105,1189 3.885,1190 8.513,1191 3.881,1192 3.893,1193 3.922,1194 3.886,1195 3.796,1196 7.999,1197 3.78,1198 3.504,1199 3.545,1200 3.486,1201 3.362,1202 7.999,1203 3.359,1204 3.304,1205 3.339,1206 3.345,1207 3.031,1208 7.443,1209 3.078,1210 2.956,1211 3.01,1212 3.061,1213 2.735,1214 7.411,1215 2.724,1216 2.9,1217 2.932,1218 2.849,1219 2.735,1220 4.747,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.605,1226 4.336,1227 2.647,1228 2.509,1229 2.588,1230 2.543,1231 2.244,1232 4.052,1233 2.285,1234 0.185,1235 0.196,1236 0.296,1237 0.175,1238 0.138,1239 4.444,1240 0.16,1241 4.705,1242 0.159,1243 7.111,1244 0.486,1245 4.19,1246 0.126,1247 3.313,1248 3.838,1249 3.825,1250 11.657,1251 3.034,1252 1.907,1253 1.881,1254 2.004,1255 2.013,1256 1.169,1257 2.01,1258 1.595,1259 1.569,1260 1.795,1261 1.766,1262 1.101,1263 1.769,1264 1.483,1265 1.438,1266 1.586,1267 1.685,1268 0.707,1269 1.669,1270 1.347,1271 1.32,1272 1.426,1273 1.57,1274 0.682,1275 1.546,1276 1.083,1277 1.057,1278 1.181,1279 1.377,1280 0.243,1281 1.301,1282 0.886,1283 0.821,1284 1.132,1285 1.062,1286 0.218,1287 1.107,1288 0.634,1289 0.584,1290 0.82,1291 1.021,1293 0.969,1294 0.341,1295 0.294,1296 0.652,1297 0.67,1299 0.672,1300 3.892,1302 5.263,1303 3.045,1304 6.804,1305 5.476,1306 8.42,1307 7.609,1308 10.08,1312 37.358,1315 1.01,1317 2.791,1319 1.294,1320 -0.152,1321 1.241,1322 -4.376,1326 22.97,1327 66.353,1328 128.491,1329 145.71,1330 149.71,1331 149.71,1332 149.71,1333 56.481,1334 6.868,1335 49.41,1336 74.71,1337 16,1338 12.427,1339 3.322,1340 2.807,1341 34.822,1342 81,1343 60,1344 0.217,1345 141.625,1346 263.24,1347 337.326,1348 8110,1349 9.1,1350 15.905,1351 0.723,1352 0.545,1353 13.759,1354 12.001,1355 10.359,1356 0.432,1357 0.309,1358 6.463,1359 9.34,1360 6.343,1361 5.134,1362 9.556,1363 7.411,1364 10.408,1365 0.289,1366 0.17,1367 9.092,1368 6.128,1369 8.168,1370 0.178,1371 0.102,1372 8.06,1373 4.702,1374 6.614,1375 0.114,1376 0.06,1377 6.833,1378 3.502,1379 4.681,1380 0.073,1381 0.036,1382 5.291,1383 2.28,1384 0.345,1385 70.596,1386 0.256,1387 21.893,1388 0.578,1389 120,1390 580.643,1391 172.426,1392 492.702,1393 629.77,1394 454,1395 142,1396 414.518,1397 186.453,1398 409.446,1399 625.41,1400 385,1401 5.612}
{0 CHEMBL1350432,1 1.901,2 6.294,3 4.214,4 17.758,5 76.468,6 12.165,7 0.632,8 3.306,9 3.374,10 3.355,11 3.084,12 4.525,13 3.022,14 3.753,15 3.843,16 3.885,17 3.474,18 5.003,19 3.383,20 3.871,21 3.992,22 3.956,23 3.549,24 5.047,25 3.432,26 3.814,27 3.944,28 3.838,29 3.471,30 5.074,31 3.338,32 3.674,33 3.777,34 3.735,35 3.421,36 4.973,37 3.215,38 3.429,39 3.549,40 3.131,41 3.048,42 4.636,43 2.858,44 3.174,45 3.365,46 2.571,47 2.533,48 4.311,49 2.349,50 2.533,51 2.765,52 1.805,53 1.743,54 3.614,55 1.559,56 0.049,57 0.312,58 0.176,59 1.205,60 2.477,61 1.335,62 0.161,63 0.579,64 4.086,65 2.809,66 8.621,67 2.119,68 0.148,69 0.61,70 7.755,71 3.651,72 8.77,73 3.539,74 0.223,75 0.582,76 6.835,77 3.57,78 13.829,79 3.42,80 0.13,81 0.531,82 13.553,83 4.586,84 16.316,85 3.481,86 0.09,87 0.391,88 8.201,89 3.326,90 9.511,91 2.676,92 0.128,93 0.288,94 8.972,95 2.595,96 11.921,97 2.338,98 0.09,99 0.142,100 5.675,101 1.329,102 8.329,103 1.317,104 5,105 27,106 0.38,107 0.652,108 0.745,109 0.811,110 0.835,111 0.835,112 2.911,113 1.018,114 -4.33,115 -4.26,116 -4.02,120 47.8,143 5,145 2,148 2,149 1,160 1,174 4,176 2,177 4,185 4,189 4,197 3,200 1,201 5,209 2,214 2,222 2,227 3,235 3,240 2,247 2,252 1,260 1,274 287,275 11.621,276 11.621,277 11.621,278 11.621,279 11.621,280 9.985,281 10.72,282 6.875,283 12.238,284 9.383,285 9.383,286 9.383,287 9.383,288 9.383,289 6.994,290 13.454,291 3.247,292 10.519,293 2.623,294 1.266,295 0.798,296 0.468,297 0.348,298 0.348,299 3.586,304 1,306 1,307 1,308 232,309 1.732,312 29.166,313 80.91,316 56.604,320 0.934,321 11.624,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 35.833,333 107,334 4.558,335 4.902,336 6.965,337 4.184,338 3.292,339 4.137,340 4.506,341 11.795,342 2.94,343 3.991,344 3.686,345 6.1,346 3.544,347 2.633,348 3.52,349 0.861,350 8.668,351 2.396,352 3.537,353 3.011,354 5.1,355 3.004,356 2.112,357 2.86,358 0.229,359 5.839,360 1.844,361 3.191,362 2.61,363 4.962,364 2.626,365 1.796,366 2.394,368 5.281,369 1.452,370 2.887,371 2.169,372 4.203,373 2.401,374 1.472,375 2.045,377 3.623,378 1.345,379 2.823,380 1.661,381 3.701,382 2.243,383 1.338,384 1.942,386 2.999,387 1.194,388 2.5,389 1.517,390 3.405,391 2,392 1,393 1.5,395 2.136,396 1,397 1.943,398 1.168,399 3.247,400 1.564,401 0.733,402 0.854,404 1.921,405 0.577,406 1.31,407 1,408 2.568,409 0.677,410 -0.108,411 -0.142,413 -0.256,414 -0.077,415 0.861,416 0.496,417 2.397,418 0.328,419 -0.547,420 -0.727,422 -1.272,423 -0.41,424 0.638,425 -0.013,426 2.277,428 -0.844,429 -1.148,431 -1.973,432 -0.691,433 0.5,434 -0.681,435 1.928,436 -0.008,437 -1,438 -1.345,440 -2.347,441 -0.914,442 0.397,443 -0.8,444 1.555,445 -0.103,446 -1,447 -1.5,449 -2.769,450 -1,451 -0.091,452 -1,453 1.554,454 -0.649,455 -1.37,456 -1.804,458 -3.444,459 -1.021,460 -0.441,461 -1.168,462 1.257,463 -0.823,464 -1.673,465 -2.131,467 -4.789,468 -1.373,469 9.081,470 0.534,471 0.401,472 0.024,473 25.5,474 1.5,475 14,476 0.824,477 11.5,478 0.676,479 10.835,480 0.637,481 16.119,482 0.701,483 14.273,484 0.84,485 4.845,486 0.285,487 3.426,488 0.202,489 0.17,491 0.319,496 0.761,497 1.108,498 0.528,499 0.644,500 0.623,501 0.65,502 0.618,503 0.953,504 0.544,505 0.72,506 0.639,507 0.746,508 0.816,509 1.108,510 0.607,511 0.77,512 0.782,513 0.765,514 0.817,515 0.761,516 0.893,517 0.807,518 0.783,519 0.789,520 0.858,521 1.072,522 1.309,523 1.425,524 0.919,525 1.15,526 1.025,527 1.253,528 1.503,529 1.612,530 1.272,531 1.549,532 1.819,533 1,534 1.617,535 1.263,536 1.776,537 1.514,538 2.473,539 0.725,540 1.734,541 0.935,542 2.255,543 1.39,544 2.5,546 2,547 1.792,548 1.054,549 0.372,550 0.201,551 0.071,552 0.02,554 2180,555 8313,556 2.127,557 26.1,559 5,561 1,567 1.576,568 2,569 2.699,570 -0.634,575 43.724,576 1.901,577 3.258,578 3.725,579 4.056,580 4.176,581 4.176,582 2.145,583 3.293,584 4.062,585 2.758,586 375.141,587 6.898,588 3276.61,590 1,593 104.042,594 1.379,595 4.023,596 0.132,598 0.074,599 0.066,600 0.044,601 0.02,602 0.017,603 0.012,604 0.01,606 0.374,607 0.67,608 1,609 0.604,610 68.087,611 -0.088,612 -0.214,613 -0.002,614 -0.024,615 -0.101,616 -0.027,617 0.238,618 0.06,619 0.137,620 0.038,621 0.027,622 -0.049,623 0.056,624 -0.168,625 0.243,626 0.121,627 0.013,628 0.15,629 0.209,630 0.223,631 0.078,632 0.149,633 0.204,634 0.171,635 -0.087,636 -0.083,637 -0.127,638 -0.166,639 0.155,640 -0.101,641 -0.216,642 -0.34,643 -0.435,644 -0.506,645 -0.246,646 -0.503,647 -0.45,648 -0.103,649 -0.386,650 -0.242,651 -0.397,652 -0.275,653 -0.65,654 0.184,655 -0.31,656 0.083,657 -0.532,658 0.018,659 1.221,660 1.918,661 0.882,662 8.92,663 1.024,664 1.092,665 3.099,666 9.601,667 0.856,668 2.996,669 3.332,670 3.664,671 3.989,672 4.19,673 4.19,674 4.248,675 4.29,676 4.06,677 3.892,678 3.914,679 0.797,680 279.79,681 2.996,682 4.533,683 5.407,684 6.308,685 7.206,686 8.116,687 9.021,688 9.935,689 10.844,690 11.76,691 13,698 1,701 2,709 6,710 2,714 4,716 12,733 1,737 1,738 23,739 13,740 1,741 19,743 25,744 11,745 10,746 1,747 5,752 3,753 4,754 1,768 11,772 1,779 1,782 1,786 1,789 6,790 3,792 6,793 3,797 3,803 0.667,817 1,822 1,823 2,826 1,855 2,857 2,860 1,862 17,873 1,875 1,885 1,893 8.5,894 4.326,895 3.722,896 1.28,898 2.351,899 1.365,900 1.021,901 2.843,902 8.788,903 3.296,904 3.892,905 4.46,906 5.059,907 5.575,908 5.685,909 6.02,910 6.391,911 6.452,912 6.624,913 1,914 27,915 6.201,917 2.636,918 7.732,919 11.731,921 9.58,924 2.232,925 37.944,926 0.002,929 70.627,930 143.119,931 36.695,932 39.149,935 77.412,936 65.707,937 109.775,938 36.695,940 3.124,941 47.381,942 45.342,943 12.926,944 44.548,945 91.075,946 45.192,947 70.627,948 102.402,950 116.56,952 70.627,956 11.743,957 57.088,958 33.571,959 116.56,960 70.627,961 36.695,962 182.267,965 70.627,966 41.927,967 59.124,969 117.912,970 70.627,971 36.695,972 182.267,973 0.582,974 0.355,975 0.209,976 0.116,977 15,978 6,979 0.04,980 1,981 1,982 1.133,983 2.908,984 126.027,985 0.133,986 15,987 62.732,989 1,990 1,993 11.111,994 4.349,995 1.852,997 36.695,998 11.304,999 8.211,1003 3.008,1006 289.589,1007 26,1014 5.35,1017 0.716,1020 23.549,1021 25.109,1022 0.42,1023 0.72,1024 0.823,1025 0.897,1026 0.923,1027 0.923,1028 4.522,1029 0.733,1030 5.398,1031 2.136,1032 4.007,1033 4.575,1034 3.701,1035 6.263,1036 3.787,1037 5.728,1038 -0.108,1039 6.986,1040 1.921,1041 3.611,1042 4.29,1043 3.054,1044 7.29,1045 3.204,1046 7.037,1047 -0.547,1048 8.683,1049 -0.256,1050 5.631,1051 6.73,1052 6.562,1053 10.466,1054 5.208,1055 8.384,1056 -0.844,1057 10.447,1058 -1.272,1059 6.111,1060 7.259,1061 6.477,1062 12.381,1063 5.496,1064 9.765,1065 -1,1066 12.254,1067 -1.973,1068 7.603,1069 9.174,1070 9.501,1071 15.074,1072 6.966,1073 11.172,1074 -1,1075 14.091,1076 -2.347,1077 8.486,1078 10.107,1079 9.745,1080 17.328,1081 7.671,1082 12.6,1083 -1.37,1084 15.949,1085 -2.769,1086 9.776,1087 11.778,1088 12.451,1089 19.865,1090 8.91,1091 3.292,1092 -1.673,1093 17.824,1094 -3.444,1095 10.834,1096 12.926,1097 12.931,1098 22.249,1099 9.811,1100 2.633,1101 11.795,1102 19.711,1103 -4.789,1104 12.051,1105 14.474,1106 15.408,1107 24.737,1108 10.951,1109 2.112,1110 8.668,1111 21.608,1112 4.137,1113 13.184,1114 15.74,1115 16.069,1116 27.17,1117 11.943,1118 1.796,1119 5.839,1120 23.512,1121 3.52,1122 14.378,1123 17.223,1124 18.37,1125 29.642,1126 13.042,1127 1.472,1128 5.281,1129 25.422,1130 2.86,1131 15.542,1132 18.555,1133 19.176,1134 32.095,1135 14.078,1136 1.338,1137 3.623,1138 27.337,1139 2.394,1140 16.729,1141 20.004,1142 21.339,1143 34.563,1144 15.161,1145 1,1146 2.999,1147 29.256,1148 2.045,1149 17.907,1150 21.373,1151 22.26,1152 37.024,1153 16.217,1154 2151,1155 4331,1156 12.83,1157 19.693,1158 28.967,1159 32.59,1160 29.892,1161 28.984,1162 28.752,1163 38.504,1164 11.193,1165 84.523,1166 25.497,1167 5.423,1168 6.902,1169 6.767,1170 5.317,1171 5.292,1172 7.137,1173 8.641,1174 19.152,1175 4.94,1176 6.456,1177 1.525,1178 1.715,1179 1.573,1180 1.525,1181 1.513,1182 2.027,1183 0.589,1184 4.449,1185 1.342,1186 3.978,1187 4.008,1188 4.268,1189 3.916,1190 5.113,1191 3.893,1192 3.782,1193 3.814,1194 3.822,1195 3.724,1196 4.801,1197 3.699,1198 3.251,1199 3.275,1200 3.753,1201 3.252,1202 4.647,1203 3.155,1204 2.854,1205 2.925,1206 3.245,1207 2.752,1208 4.459,1209 2.72,1210 2.828,1211 2.857,1212 3.004,1213 2.735,1214 3.822,1215 2.715,1216 2.682,1217 2.716,1218 2.791,1219 2.609,1220 3.674,1221 2.567,1222 2.459,1223 2.474,1224 2.687,1225 2.399,1226 3.535,1227 2.362,1228 1.706,1229 1.802,1230 2.323,1231 1.789,1232 3.339,1233 1.563,1234 0.24,1235 0.258,1236 0.367,1237 0.22,1238 0.173,1239 4.558,1240 0.218,1241 4.902,1242 0.237,1243 6.965,1244 0.621,1245 4.184,1246 0.155,1247 3.292,1248 4.137,1249 4.506,1250 11.795,1251 2.94,1252 1.894,1253 1.863,1254 2.008,1255 1.995,1256 1.078,1257 1.999,1258 1.676,1259 1.648,1260 1.676,1261 1.833,1262 0.762,1263 1.812,1264 1.214,1265 1.229,1266 1.181,1267 1.276,1268 0.344,1269 1.306,1270 0.886,1271 0.821,1272 1.161,1273 1.062,1274 0.218,1275 1.107,1276 0.821,1277 0.783,1278 0.846,1279 0.895,1280 0.045,1281 0.966,1282 0.638,1283 0.599,1284 0.731,1285 0.777,1287 0.82,1288 0.449,1289 0.424,1290 0.381,1291 0.586,1293 0.599,1296 0.291,1297 0.133,1299 0.23,1300 3.664,1302 4.99,1303 2.398,1304 6.532,1305 4.844,1306 8.172,1307 7.05,1308 9.861,1311 6.029,1319 1.421,1321 1.906,1326 18.32,1327 43.724,1328 74.923,1329 85.677,1330 93.287,1331 96.042,1332 96.042,1333 17.391,1334 6.438,1335 30.71,1336 91.04,1337 17,1338 12.272,1339 3.807,1340 3,1341 23.525,1342 39,1343 38,1344 0.311,1345 124.592,1346 206.73,1347 295.764,1348 4304,1349 4.3,1350 11.828,1351 0.696,1352 0.641,1353 13.182,1354 10.889,1355 8.271,1356 0.435,1357 0.339,1358 4.929,1359 7.184,1360 4.695,1361 3.873,1362 9.256,1363 6.449,1364 7.424,1365 0.275,1366 0.198,1367 8.943,1368 5.358,1369 6.467,1370 0.17,1371 0.108,1372 8.065,1373 4.108,1374 5.752,1375 0.109,1376 0.059,1377 7.421,1378 3.131,1379 4.666,1380 0.072,1381 0.035,1382 6.433,1383 2.246,1384 0.453,1385 61.178,1386 0.279,1387 16.579,1388 0.967,1389 92,1390 284.86,1391 159.929,1392 354.975,1393 475.82,1394 330,1395 111,1396 304.132,1397 167.371,1398 343.62,1399 511.84,1400 322,1401 4.754}
{0 CHEMBL1350908,1 1.516,2 10.923,3 1.787,4 3.192,5 97.919,6 6.75,7 0.222,8 4.06,9 4.178,10 3.527,11 3.467,12 5.123,13 3.454,14 4.644,15 4.848,16 3.846,17 3.825,18 5.616,19 3.798,20 4.828,21 5.017,22 4.013,23 4.03,24 5.893,25 3.983,26 4.998,27 5.208,28 4.027,29 4.066,30 6.11,31 4.009,32 5.008,33 5.213,34 3.906,35 4.038,36 6.144,37 3.961,38 4.928,39 5.162,40 3.742,41 4.027,42 5.849,43 3.885,44 5.021,45 5.317,46 3.613,47 3.872,48 5.959,49 3.729,50 4.723,51 4.987,52 3.414,53 3.647,54 5.641,55 3.536,56 0.033,57 0.722,58 12.642,59 4.973,60 7.74,61 6.875,62 0.478,63 1.094,64 24.672,65 7.345,66 30.992,67 10.781,68 0.525,69 1.328,70 29.206,71 9.658,72 40.571,73 13.763,74 0.586,75 1.404,76 35.403,77 10.805,78 73.405,79 15.59,80 1.163,81 1.367,82 36.943,83 10.357,84 109.811,85 14.821,86 0.454,87 1.366,88 32.191,89 11.032,90 46.18,91 16.294,92 0.768,93 1.261,94 37.329,95 9.788,96 96.511,97 15.561,98 0.697,99 0.96,100 27.841,101 7.323,102 58.941,103 11.108,104 68,105 37,106 0.257,107 0.49,108 0.675,109 0.696,110 0.73,111 0.756,112 3.304,113 0.975,114 -2.57,115 -2.6,116 -2.53,120 35.2,121 2,122 1,123 1,125 3,126 4,143 2,144 1,145 3,159 2,174 5,176 2,177 6,185 4,188 3,189 10,200 1,201 7,213 6,214 2,226 2,227 3,239 1,240 4,247 1,251 2,252 3,260 3,263 1,264 2,271 4,274 1020,275 17.248,276 17.248,277 17.248,278 17.248,279 17.248,280 16.326,281 22.878,282 9.958,283 17.936,284 13.07,285 13.07,286 13.07,287 13.07,288 13.07,289 11.318,290 25.468,291 4.392,292 13.842,293 4.239,294 2.861,295 1.769,296 1.644,297 1.445,298 1.292,299 3.962,305 1,306 1,307 1,308 571,309 4,313 192.986,320 1.781,321 33.014,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 58,333 284,334 4.469,335 3.743,336 6.58,337 4.09,338 3.126,339 4.147,340 1.94,341 10.446,342 3.017,343 4.079,344 3.684,345 6.318,346 3.837,347 2.888,348 3.376,349 1.2,350 9.416,351 2.739,352 3.938,353 3.334,354 6.032,355 3.692,356 2.72,357 3.116,358 0.86,359 8.595,360 2.624,361 3.355,362 2.555,363 5.215,364 3.154,365 2.174,366 2.604,367 0.86,368 6.251,369 2.124,370 3.293,371 2.534,372 5.19,373 2.972,374 2.061,375 2.404,376 0.86,377 6.118,378 1.875,379 3.07,380 2.142,381 4.725,382 2.919,383 1.957,384 2.088,385 0.555,386 5.232,387 1.867,388 2.642,389 2.082,390 4.039,391 2.309,392 1.311,393 1.574,394 0.293,395 3.233,396 1.295,397 2.267,398 1.963,399 3.811,400 2.002,401 1.131,402 1.2,404 2.572,405 0.972,406 2.09,407 1.766,408 3.443,409 1.967,410 1,411 1,413 2.275,414 0.965,415 2,416 1.146,417 3.414,418 1.728,419 0.739,420 0.924,422 1.682,423 0.716,424 1.576,425 0.99,426 2.859,427 1.27,428 0.396,429 0.452,431 0.603,432 0.342,433 1.4,434 0.916,435 2.524,436 1.144,437 0.298,438 0.321,440 0.379,441 0.25,442 0.833,443 0.512,444 2.468,445 0.617,446 -0.384,447 -0.403,449 -0.799,450 -0.369,451 0.826,452 0.157,453 2.294,454 0.473,455 -0.483,456 -0.572,458 -1.005,459 -0.452,460 0.651,461 -0.053,462 2.25,463 0.426,464 -0.618,465 -0.764,467 -1.365,468 -0.637,469 11.967,470 0.46,471 0.681,472 0.026,473 27.5,474 1.058,475 10.5,476 0.404,477 17,478 0.654,479 25.44,480 0.978,481 31.233,482 0.578,483 22.578,484 0.868,485 5.635,486 0.217,487 6.77,488 0.26,489 0.265,491 0.359,496 0.784,497 1.746,498 0.861,499 1.501,500 0.573,501 1.236,502 1.13,503 0.942,504 0.886,505 0.8,506 0.669,507 0.779,508 0.878,509 1.148,510 0.96,511 1.149,512 0.937,513 1.068,514 1.156,515 1.199,516 0.982,517 1.142,518 1.588,519 1.042,520 1.447,521 0.875,522 1.275,523 0.898,524 1.731,525 1.037,526 0.637,527 1.357,528 1.058,529 1.372,530 0.541,531 1.319,532 0.967,533 0.842,534 0.889,535 0.802,536 0.89,537 0.818,538 1.313,539 0.695,540 1.097,541 0.729,542 1.134,543 0.842,544 6,545 0.144,546 3.556,547 2.25,548 1.747,549 1.201,550 0.608,551 0.354,552 0.214,553 0.233,554 7039,555 18900,556 1.91,557 51.9,558 7,559 19,563 2,567 1.69,568 1.733,569 3.398,570 -0.722,571 1,572 1,575 81.838,576 1.516,577 2.894,578 3.985,579 4.111,580 4.31,581 4.463,582 2.907,583 4.085,584 4.668,585 3.581,586 1163.82,587 8.088,588 14639.9,590 1,592 1,593 310.764,594 1.57,595 4.592,596 0.222,597 0.009,598 0.096,599 0.054,600 0.043,601 0.034,602 0.021,603 0.014,604 0.01,605 0.013,606 0.516,607 0.33,608 1,609 1.467,610 127.765,611 -0.014,612 -0.393,613 0.066,614 -0.232,615 -0.01,616 -0.091,617 -0.075,618 0.194,619 0.117,620 0.22,621 0.015,622 0.213,623 0.07,624 0.017,625 0.013,626 -0.065,627 0.006,628 -0.035,629 -0.048,630 -0.173,631 0.018,632 -0.118,633 -0.098,634 -0.046,635 -0.075,636 0.134,637 -0.225,638 0.069,639 -0.157,640 -0.093,641 0.072,642 -0.306,643 -0.136,644 -0.304,645 0.055,646 -0.274,647 -0.017,648 0.029,649 0.099,650 0.07,651 0.084,652 0.108,653 -0.148,654 0.227,655 -0.073,656 0.158,657 -0.112,658 0.074,659 1.778,660 5.861,661 0.462,662 25.633,663 1.006,664 1.138,665 1.344,666 1.807,667 0.614,668 3.332,669 3.638,670 3.892,671 4.094,672 4.263,673 4.317,674 4.394,675 4.331,676 4.317,677 4.344,678 6.471,679 0.583,680 364.49,681 3.332,682 4.86,683 5.7,684 6.572,685 7.433,686 8.31,687 9.178,688 10.056,689 10.928,690 11.808,691 3.7,698 2,709 2,714 4,716 6,724 1,735 3,738 54,739 8,740 1,741 27,743 55,744 19,745 6,746 4,747 2,748 1,752 2,753 2,759 2,766 1,768 8,769 11,770 1,772 2,778 2,782 2,785 1,786 1,789 28,790 7,792 7,797 2,803 1,804 5,823 2,839 1,855 2,859 5,862 26,869 5,872 3,874 1,875 2,886 9.3,889 2,891 3,893 15,894 11.233,895 6.056,896 3.188,898 1.233,899 1.182,900 0.896,901 7.441,902 8.017,903 3.497,904 3.98,905 4.469,906 4.899,907 5.322,908 5.529,909 5.712,910 5.538,911 5.507,912 5.641,913 1,914 42,915 9.673,917 3.935,918 7.859,919 18.32,921 14.255,924 2.359,925 61.333,929 329.591,930 108.535,931 6.249,933 83.29,936 108.535,937 412.88,938 6.249,939 50.3,940 17.206,941 18.952,942 59.699,943 51.916,945 329.591,947 329.591,948 114.783,949 83.29,952 329.591,953 83.29,956 34.856,957 79.927,960 329.591,961 89.538,962 108.535,965 329.591,966 39.283,967 75.501,969 83.29,970 329.591,971 89.538,972 108.535,973 0.572,974 0.347,975 0.187,976 0.096,977 15,978 9,979 0.109,980 6,982 1,983 3.598,984 206.339,986 12,987 108.211,993 20.686,994 9.353,995 4.977,997 89.538,998 3.306,1003 1.819,1006 527.664,1007 32,1013 25.029,1017 0.042,1020 54.327,1021 61.441,1022 0.263,1023 0.503,1024 0.693,1025 0.714,1026 0.749,1027 0.775,1028 4.749,1029 1.131,1030 5.7,1031 3.233,1032 4.317,1033 4.663,1034 2.708,1035 6.521,1036 4.221,1037 5.925,1038 1,1039 7.279,1040 2.572,1041 4.007,1042 4.575,1043 1.738,1044 7.483,1045 3.894,1046 7.226,1047 0.739,1048 8.955,1049 2.275,1050 5.927,1051 6.733,1052 3.268,1053 10.544,1054 5.749,1055 8.56,1056 0.396,1057 10.687,1058 1.682,1059 6.399,1060 7.443,1061 3.17,1062 12.275,1063 6.194,1064 9.928,1065 0.298,1066 12.452,1067 0.603,1068 7.816,1069 9.144,1070 4.24,1071 14.869,1072 7.564,1073 11.317,1074 -0.384,1075 14.24,1076 0.379,1077 8.633,1078 10.207,1079 4.557,1080 16.919,1081 8.347,1082 12.722,1083 -0.483,1084 16.044,1085 -0.799,1086 9.859,1087 11.743,1088 5.419,1089 19.345,1090 9.532,1091 3.126,1092 -0.618,1093 17.86,1094 -1.005,1095 10.834,1096 12.975,1097 5.92,1098 21.538,1099 10.47,1100 2.888,1101 10.446,1102 19.685,1103 -1.365,1104 11.985,1105 14.444,1106 6.682,1107 23.898,1108 11.584,1109 2.72,1110 9.416,1111 21.517,1112 4.147,1113 13.034,1114 15.763,1115 7.266,1116 26.158,1117 12.594,1118 2.174,1119 8.595,1120 23.355,1121 3.376,1122 14.157,1123 17.204,1124 7.98,1125 28.494,1126 13.682,1127 2.061,1128 6.251,1129 25.197,1130 3.116,1131 15.24,1132 18.568,1133 8.604,1134 30.786,1135 14.727,1136 1.957,1137 6.118,1138 27.044,1139 2.604,1140 16.356,1141 19.997,1142 9.293,1143 33.114,1144 15.808,1145 1.311,1146 5.232,1147 28.893,1148 2.404,1149 17.456,1150 21.386,1151 9.936,1152 35.425,1153 16.871,1154 7307,1155 12120,1156 16.819,1157 33.182,1158 39.913,1159 42.177,1160 42.956,1161 39.412,1162 39.604,1163 46.416,1164 13.137,1165 113.603,1166 37.575,1167 5.469,1168 5.743,1169 6.123,1170 5.157,1171 5.126,1172 7.147,1173 3.348,1174 17.366,1175 5.017,1176 17.547,1177 1.478,1178 1.562,1179 1.591,1180 1.46,1181 1.467,1182 1.719,1183 0.487,1184 4.208,1185 1.392,1186 3.985,1187 4.01,1188 3.944,1189 3.867,1190 7.429,1191 3.882,1192 3.84,1193 3.88,1194 3.755,1195 3.67,1196 7.425,1197 3.679,1198 3.675,1199 3.741,1200 3.539,1201 3.514,1202 4.964,1203 3.51,1204 3.369,1205 3.403,1206 3.283,1207 3.115,1208 4.58,1209 3.153,1210 3.303,1211 3.355,1212 3.144,1213 3.006,1214 4.461,1215 3.026,1216 3.222,1217 3.293,1218 3.052,1219 2.951,1220 4.305,1221 2.965,1222 3.179,1223 3.246,1224 2.972,1225 2.941,1226 4.196,1227 2.91,1228 3.111,1229 3.206,1230 2.866,1231 2.895,1232 4.116,1233 2.894,1234 0.166,1235 0.139,1236 0.244,1237 0.151,1238 0.116,1239 4.469,1240 0.154,1241 3.743,1242 0.072,1243 6.58,1244 0.387,1245 4.09,1246 0.112,1247 3.126,1248 4.147,1249 1.94,1250 10.446,1251 3.017,1252 1.9,1253 1.888,1254 2.018,1255 2.058,1256 1.303,1257 2.044,1258 1.789,1259 1.736,1260 1.966,1261 1.971,1262 1.216,1263 1.963,1264 1.669,1265 1.603,1266 1.895,1267 1.86,1268 1.067,1269 1.883,1270 1.259,1271 1.221,1272 1.59,1273 1.558,1274 0.825,1275 1.565,1276 1.227,1277 1.163,1278 1.574,1279 1.552,1280 0.587,1281 1.546,1282 1.168,1283 1.089,1284 1.549,1285 1.5,1286 0.584,1287 1.514,1288 1.153,1289 1.064,1290 1.513,1291 1.412,1292 0.571,1293 1.429,1294 1.134,1295 1.06,1296 1.43,1297 1.376,1298 0.561,1299 1.423,1300 4.007,1302 5.313,1304 6.823,1306 8.426,1308 10.077,1310 8.62,1315 2.683,1318 15.919,1320 0.335,1321 3.582,1326 31.465,1327 81.838,1328 156.288,1329 215.215,1330 221.97,1331 232.725,1332 240.989,1333 71.654,1334 6.783,1335 68.31,1336 68.31,1337 12,1338 12.346,1339 3.17,1340 2.585,1341 55.103,1342 100,1343 102,1344 0.274,1345 197.171,1346 354.39,1347 472.857,1348 6741,1350 19.267,1351 0.741,1352 0.623,1353 19.267,1354 16.203,1355 12.405,1356 0.459,1357 0.325,1358 8.568,1359 11.62,1360 8.189,1361 6.904,1362 12.405,1363 8.779,1364 10.781,1365 0.291,1366 0.181,1367 10.781,1368 6.685,1369 8.894,1370 0.185,1371 0.092,1372 8.894,1373 4.414,1374 7.204,1375 0.122,1376 0.051,1377 7.204,1378 3.024,1379 5.339,1380 0.076,1381 0.029,1382 5.339,1383 2.034,1384 0.43,1385 80.078,1386 0.244,1387 25.122,1388 0.749,1389 128,1390 443.968,1391 145.893,1392 403.55,1393 532.58,1394 378,1395 149,1396 368.543,1397 168.393,1398 371.264,1399 539.53,1400 342,1401 5.031}
{0 CHEMBL1351102,1 1.805,2 11.107,3 0.922,4 0.85,5 92.299,6 8.573,7 0.172,8 3.956,9 4.053,10 3.601,11 3.324,12 5.287,13 3.384,14 4.48,15 4.629,16 3.996,17 3.688,18 5.909,19 3.742,20 4.688,21 4.822,22 4.133,23 3.814,24 6.187,25 3.871,26 4.863,27 5.047,28 4.135,29 3.822,30 6.467,31 3.882,32 4.737,33 4.885,34 3.985,35 3.791,36 6.245,37 3.816,38 4.815,39 4.999,40 3.895,41 3.767,42 6.393,43 3.76,44 4.717,45 4.946,46 3.762,47 3.638,48 6.108,49 3.611,50 4.555,51 4.747,52 3.63,53 3.431,54 5.99,55 3.452,56 0.344,57 0.656,58 7.365,59 3.52,60 36.501,61 4.238,62 0.873,63 0.952,64 16.749,65 5.845,66 102.085,67 7.456,68 1.152,69 1.111,70 20.031,71 6.695,72 125.424,73 8.771,74 1.567,75 1.139,76 29.139,77 7.002,78 254.309,79 9.54,80 1.32,81 1.064,82 22.666,83 6.919,84 188.483,85 8.558,86 1.625,87 1.051,88 27.717,89 7.326,90 265.795,91 9.858,92 1.305,93 0.907,94 28.121,95 7.438,96 177.292,97 10.958,98 1.285,99 0.732,100 23.591,101 5.688,102 195.451,103 7.597,104 106,105 42,106 0.31,107 0.675,108 0.829,109 0.836,110 0.836,111 0.836,112 3.374,113 0.836,114 -2.68,115 -2.7,116 -2.62,120 34.8,121 2,123 1,125 1,126 2,137 1,140 1,143 2,153 1,154 1,157 1,159 2,160 1,164 1,165 1,166 1,167 2,174 3,176 7,177 8,179 1,180 1,182 1,185 1,187 1,188 5,189 8,200 5,201 7,203 4,204 4,206 1,209 1,211 1,213 6,214 5,216 1,217 1,219 2,222 2,224 2,226 6,227 4,235 1,239 4,240 6,242 1,243 1,247 1,251 4,252 6,254 1,255 1,257 1,262 1,263 3,264 6,269 1,273 1,274 1248,275 17.604,276 17.604,277 17.604,278 17.604,279 17.604,280 16.013,281 22.621,282 9.945,283 17.908,284 14.151,285 14.151,286 14.151,287 14.151,288 14.151,289 11.447,290 24.08,291 4.612,292 14.545,293 3.719,294 1.594,295 0.701,296 0.658,297 0.658,298 0.658,299 4.024,306 1,307 1,308 628,309 4.359,312 92.041,313 107.989,320 1.551,321 64.317,324 0.75,325 0.83,326 0.83,327 0.9,328 0.5,329 0.67,330 0.5,331 0.71,332 66,333 311,334 4.6,335 4.014,336 7.011,337 4.288,338 3.319,339 4.06,340 2.612,341 11.776,342 3.222,343 4.357,344 3.792,345 6.183,346 3.923,347 2.938,348 4.024,349 1.797,350 9.072,351 2.889,352 3.949,353 3.688,354 6.157,355 3.618,356 2.628,357 3.378,358 1.763,359 8.779,360 2.583,361 3.87,362 3.565,363 5.868,364 3.462,365 2.486,366 3.088,367 1.338,368 7.644,369 2.41,370 3.574,371 3.297,372 5.756,373 3.355,374 2.4,375 2.667,376 1.087,377 7.574,378 2.291,379 3.249,380 2.757,381 4.84,382 2.987,383 2.002,384 2.411,385 0.628,386 4.985,387 1.965,388 3.115,389 2.337,390 4.632,391 2.799,392 1.797,393 2.21,394 0.126,395 4.872,396 1.784,397 3.084,398 2.149,399 4.247,400 2.518,401 1.512,402 2.089,404 3.812,405 1.501,406 2.456,407 1.72,408 3.675,409 1.898,410 0.924,411 1.335,413 2.317,414 0.891,415 2.162,416 1.663,417 3.629,418 1.656,419 0.658,420 0.986,422 1.649,423 0.656,424 2.002,425 1.427,426 3.458,427 1.627,428 0.65,429 0.761,431 1.602,432 0.626,433 1.836,434 1.38,435 3.253,436 1.483,437 0.476,438 0.58,440 1.183,441 0.47,442 1.674,443 1,444 2.8,445 1.241,446 0.236,447 0.302,449 0.518,450 0.231,451 1.148,452 0.706,453 2.439,454 0.793,455 -0.256,456 -0.339,458 -0.602,459 -0.263,460 1,461 0.632,462 2.105,463 0.206,464 -0.783,465 -0.833,467 -2,468 -0.762,469 12.267,470 0.438,471 1.047,472 0.037,473 33.5,474 1.196,475 14.5,476 0.518,477 19,478 0.679,479 23.96,480 0.856,481 32.733,482 0.712,483 31.846,484 1.137,485 6.983,486 0.249,487 6.056,488 0.216,489 0.318,491 0.465,496 0.664,497 1.59,498 0.657,499 1.322,500 0.59,501 1.042,502 0.621,503 0.956,504 0.602,505 0.925,506 0.504,507 0.782,508 0.747,509 1.496,510 0.79,511 1.318,512 0.751,513 1.113,514 1.031,515 0.847,516 0.925,517 0.825,518 1.065,519 0.816,520 1.056,521 1.076,522 1.182,523 1.149,524 1.095,525 1.203,526 0.954,527 0.931,528 1.167,529 1.03,530 0.974,531 1.141,532 0.733,533 0.903,534 0.783,535 0.972,536 0.685,537 0.923,538 1.207,539 0.808,540 1.043,541 0.819,542 1.414,543 0.88,544 7,545 0.218,546 4.444,547 2.875,548 2.567,549 1.129,550 0.712,551 0.412,552 0.337,553 0.261,554 8534,555 35338,556 1.858,557 39.1,558 6,559 9,562 2,564 1,567 1.711,568 1.647,569 3.421,570 0.424,572 1,575 83.025,576 1.805,577 3.93,578 4.822,579 4.866,580 4.866,581 4.866,582 2.856,583 4.307,584 4.779,585 3.611,586 1365.09,587 8.314,588 18108.4,590 1,593 254.084,594 1.531,595 4.667,596 0.241,597 0.01,598 0.106,599 0.063,600 0.057,601 0.03,602 0.022,603 0.014,604 0.013,605 0.01,606 0.565,607 0.33,608 0.88,609 1.146,610 140.771,611 -0.005,612 -0.241,613 0.036,614 -0.138,615 -0.05,616 -0.057,617 0.18,618 0.198,619 0.256,620 0.144,621 0.139,622 0.213,623 0.123,624 -0.386,625 0.077,626 -0.25,627 0.043,628 -0.129,629 -0.04,630 0.132,631 0.075,632 0.094,633 0.012,634 0.131,635 -0.091,636 -0.019,637 -0.268,638 -0.142,639 -0.115,640 -0.253,641 0.018,642 0.02,643 -0.171,644 -0.067,645 0.025,646 -0.156,647 0.142,648 -0.052,649 0.282,650 0.017,651 0.123,652 0.167,653 -0.109,654 0.022,655 0.035,656 0.122,657 -0.24,658 0.12,659 2.843,660 5.412,661 0.393,662 25.367,663 1.048,664 1.143,665 1.449,666 2.1,667 0.63,668 3.401,669 3.761,670 4.007,671 4.205,672 4.331,673 4.357,674 4.22,675 4.111,676 4.127,677 4.127,678 6.654,679 0.641,680 394.38,681 3.401,682 4.963,683 5.814,684 6.703,685 7.578,686 8.469,687 9.353,688 10.246,689 11.134,690 12.028,691 8.7,692 1,698 2,702 1,709 2,712 1,714 2,716 5,726 1,731 1,738 46,739 12,741 29,743 47,744 16,745 4,748 5,752 2,753 2,757 1,759 2,768 10,769 6,770 1,772 7,775 1,778 6,782 6,786 1,788 1,789 18,790 11,791 2,792 12,797 4,800 1,803 1,804 8,822 1,823 1,836 1,846 1,848 1,855 2,859 3,862 28,863 1,869 2,872 1,874 1,875 2,886 17.4,889 4,891 2,892 2,893 17,894 9.267,895 6.167,896 2.561,898 1.427,899 1.209,900 0.898,901 6.588,902 8.251,903 3.676,904 4.223,905 4.69,906 5.103,907 5.314,908 5.598,909 5.335,910 5.168,911 5.418,912 5.598,913 1,914 46,915 10.503,917 4.677,918 8.595,919 18.189,921 14.147,924 3.095,925 86.667,929 188.338,930 88.985,931 44.816,933 171.834,936 88.985,937 360.171,938 44.816,939 31.717,940 45.844,941 18.952,942 117.609,943 31.041,944 9.725,945 188.338,946 50.747,947 188.338,948 133.801,949 171.834,952 176.567,953 132.858,954 50.747,956 68.514,957 59.616,958 5.67,960 188.338,961 216.65,962 88.985,965 188.338,966 43.986,967 56.918,969 204.731,970 188.338,971 216.65,972 88.985,973 0.599,974 0.353,975 0.177,976 0.095,977 18,978 12,979 0.17,980 8,982 1,983 3.684,984 231.926,986 11,987 130.606,993 21.597,994 8.541,995 4.6,997 210.98,998 1.967,1001 4.669,1003 -1.151,1005 32.897,1006 493.972,1007 38.5,1010 -0.843,1013 69.895,1017 -4.459,1020 48.211,1021 52.575,1022 0.327,1023 0.712,1024 0.873,1025 0.881,1026 0.881,1027 0.881,1028 4.951,1029 1.512,1030 5.855,1031 4.872,1032 4.443,1033 4.909,1034 3.42,1035 6.715,1036 4.392,1037 6.182,1038 0.924,1039 7.469,1040 3.812,1041 4.29,1042 4.956,1043 2.615,1044 7.753,1045 4.229,1046 7.514,1047 0.658,1048 9.182,1049 2.317,1050 6.098,1051 7.043,1052 4.671,1053 10.861,1054 5.991,1055 8.879,1056 0.65,1057 10.948,1058 1.649,1059 6.698,1060 7.864,1061 4.643,1062 12.673,1063 6.58,1064 10.273,1065 0.476,1066 12.747,1067 1.602,1068 8.057,1069 9.491,1070 6.215,1071 15.351,1072 7.897,1073 11.688,1074 0.236,1075 14.569,1076 1.183,1077 8.971,1078 10.632,1079 6.62,1080 17.499,1081 8.795,1082 13.118,1083 -0.256,1084 16.408,1085 0.518,1086 10.187,1087 12.106,1088 7.927,1089 20.034,1090 9.975,1091 3.319,1092 -0.783,1093 18.261,1094 -0.602,1095 11.24,1096 13.384,1097 8.577,1098 22.344,1099 11.006,1100 2.938,1101 11.776,1102 20.125,1103 -2,1104 12.414,1105 14.803,1106 9.734,1107 24.828,1108 12.147,1109 2.628,1110 9.072,1111 21.998,1112 4.06,1113 13.531,1114 16.143,1115 10.522,1116 27.217,1117 13.239,1118 2.486,1119 8.779,1120 23.88,1121 4.024,1122 14.698,1123 17.543,1124 11.594,1125 29.685,1126 14.374,1127 2.4,1128 7.644,1129 25.768,1130 3.378,1131 15.848,1132 18.911,1133 12.458,1134 32.112,1135 15.495,1136 2.002,1137 7.574,1138 27.663,1139 3.088,1140 17.018,1141 20.306,1142 13.482,1143 34.576,1144 16.634,1145 1.797,1146 4.985,1147 29.564,1148 2.667,1149 18.184,1150 21.687,1151 14.389,1152 37.023,1153 17.771,1154 8807,1155 18185,1156 17.342,1157 28.989,1158 45.338,1159 48.451,1160 47.899,1161 44.068,1162 44.049,1163 55.782,1164 18.705,1165 131.565,1166 43.037,1167 5.57,1168 5.86,1169 6.326,1170 5.359,1171 5.319,1172 6.715,1173 4.612,1174 19.776,1175 5.134,1176 21.495,1177 1.563,1178 1.671,1179 1.652,1180 1.52,1181 1.519,1182 1.924,1183 0.645,1184 4.537,1185 1.484,1186 4.008,1187 4.015,1188 3.987,1189 3.787,1190 7.816,1191 3.828,1192 3.927,1193 3.959,1194 3.898,1195 3.731,1196 7.453,1197 3.766,1198 3.657,1199 3.713,1200 3.548,1201 3.513,1202 7.433,1203 3.503,1204 3.545,1205 3.559,1206 3.479,1207 3.229,1208 7.423,1209 3.279,1210 3.418,1211 3.443,1212 3.361,1213 3.032,1214 7.406,1215 3.121,1216 3.22,1217 3.307,1218 3.099,1219 2.913,1220 6.999,1221 2.947,1222 3.085,1223 3.103,1224 3.019,1225 2.759,1226 5.045,1227 2.82,1228 2.925,1229 3.009,1230 2.861,1231 2.618,1232 4.978,1233 2.662,1234 0.159,1235 0.138,1236 0.242,1237 0.148,1238 0.114,1239 4.6,1240 0.14,1241 4.014,1242 0.09,1243 7.011,1244 0.406,1245 4.288,1246 0.111,1247 3.319,1248 4.06,1249 2.612,1250 11.776,1251 3.222,1252 1.822,1253 1.788,1254 1.99,1255 2.034,1256 1.25,1257 2.006,1258 1.653,1259 1.604,1260 1.824,1261 1.958,1262 0.936,1263 1.853,1264 1.567,1265 1.541,1266 1.682,1267 1.84,1268 0.738,1269 1.826,1270 1.481,1271 1.485,1272 1.617,1273 1.751,1274 0.699,1275 1.709,1276 1.334,1277 1.291,1278 1.499,1279 1.585,1280 0.578,1281 1.575,1282 1.146,1283 1.057,1284 1.417,1285 1.456,1286 0.469,1287 1.457,1288 0.936,1289 0.89,1290 1.413,1291 1.267,1292 0.378,1293 1.308,1294 0.934,1295 0.804,1296 1.261,1297 1.239,1298 0.311,1299 1.256,1300 4.078,1302 5.425,1303 2.398,1304 6.95,1305 4.595,1306 8.566,1307 6.605,1308 10.239,1310 4.845,1313 5.852,1315 -0.693,1318 4.743,1320 0.007,1321 1.834,1326 29.492,1327 83.025,1328 180.781,1329 221.819,1330 223.819,1331 223.819,1332 223.819,1333 120.854,1334 6.823,1335 172.35,1336 172.35,1337 11,1338 12.555,1339 3.7,1340 3.392,1341 61.985,1342 111,1343 112,1344 0.274,1345 185.189,1346 342.94,1347 443.621,1348 7344,1350 21.171,1351 0.756,1352 0.548,1353 21.171,1354 15.331,1355 13.039,1356 0.45,1357 0.279,1358 7.854,1359 12.073,1360 7.629,1361 6.392,1362 13.039,1363 8.08,1364 12.416,1365 0.296,1366 0.15,1367 12.416,1368 6.306,1369 9.963,1370 0.184,1371 0.069,1372 9.963,1373 3.717,1374 7.601,1375 0.115,1376 0.036,1377 7.601,1378 2.397,1379 5.473,1380 0.073,1381 0.02,1382 5.473,1383 1.472,1384 0.43,1385 85.618,1386 0.24,1387 26.674,1388 0.75,1389 142,1390 644.132,1391 171.305,1392 589.57,1393 756.82,1394 538,1395 167,1396 534.173,1397 197.642,1398 522.398,1399 764.34,1400 484,1401 4.734}
{0 CHEMBL1351135,1 1.528,2 9.429,3 4.842,4 23.441,5 84.339,6 7.79,7 0.545,8 3.726,9 3.831,10 3.325,11 3.322,12 4.847,13 3.277,14 4.242,15 4.407,16 3.718,17 3.686,18 5.366,19 3.626,20 4.493,21 4.668,22 3.818,23 3.862,24 5.568,25 3.77,26 4.666,27 4.892,28 3.757,29 3.825,30 5.82,31 3.692,32 4.555,33 4.834,34 3.359,35 3.643,36 5.499,37 3.479,38 4.237,39 4.487,40 3.306,41 3.399,42 5.23,43 3.274,44 3.977,45 4.166,46 3.208,47 3.216,48 5.042,49 3.129,50 3.791,51 3.965,52 3.025,53 3.101,54 4.938,55 3.01,56 0.002,57 0.49,58 7.44,59 3.766,60 5.358,61 4.819,62 0.196,63 0.779,64 15.147,65 6.223,66 26.674,67 8.232,68 0.088,69 0.973,70 19.723,71 8.274,72 21.51,73 10.678,74 0.482,75 1.073,76 29.448,77 9.847,78 65.354,79 12.864,80 0.222,81 0.965,82 25.255,83 9.042,84 45.184,85 12.313,86 0.157,87 0.705,88 17.692,89 6.364,90 30.697,91 8.441,92 0.234,93 0.524,94 15.296,95 4.534,96 26.774,97 5.434,98 0.124,99 0.455,100 11.813,101 3.889,102 17.716,103 4.825,104 28,105 31,106 0.275,107 0.592,108 0.711,109 0.803,110 0.803,111 0.803,112 3.102,113 0.988,114 -5.04,115 -4.94,116 -4.63,120 43.6,121 3,122 1,124 1,143 6,144 2,145 1,146 1,148 1,159 1,174 11,176 1,177 7,185 15,189 5,197 14,200 2,201 7,209 11,214 3,222 6,227 6,235 7,240 4,247 6,252 4,260 6,264 2,271 6,274 532,275 13.67,276 13.67,277 13.67,278 13.67,279 13.67,280 12.09,281 13.086,282 7.836,283 13.957,284 10.712,285 10.712,286 10.712,287 10.712,288 10.712,289 8.37,290 12.554,291 3.576,292 11.219,293 3.758,294 1.999,295 1.334,296 0.827,297 0.827,298 0.827,299 3.755,304 1,306 1,307 1,308 404,309 3.606,313 152.04,320 1.551,321 19.989,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44.833,333 198,334 4.481,335 3.721,336 7.286,337 4.368,338 3.368,339 3.933,340 1.674,341 12.335,342 3.367,343 4.319,344 3.583,345 6.395,346 3.919,347 2.968,348 3.839,350 9.673,351 2.808,352 3.838,353 2.954,354 5.423,355 3.43,356 2.488,357 3.203,359 7.154,360 2.346,361 3.355,362 2.625,363 4.886,364 2.878,365 1.941,366 2.594,368 5.25,369 1.782,370 2.956,371 1.757,372 4.7,373 2.582,374 1.606,375 2.087,377 4.65,378 1.558,379 2.86,380 1.672,381 3.786,382 2.337,383 1.414,384 2.012,386 3.055,387 1.229,388 2.538,389 1.315,390 3.568,391 2,392 1.021,393 1.5,395 2.541,396 1,397 2.5,398 1,399 3.414,400 1.992,401 1,402 1.492,404 2.275,405 0.979,406 1.44,407 0.77,408 3.164,409 1.394,410 0.396,411 0.404,413 0.536,414 0.395,415 1.232,416 0.415,417 2.737,418 0.886,419 -0.038,420 -0.045,422 -0.091,423 -0.032,424 1.092,425 0.363,426 2.494,427 0.552,428 -0.298,429 -0.387,431 -0.646,432 -0.216,433 0.641,434 -0.225,435 2,436 0.154,437 -0.825,438 -1,440 -2.015,441 -0.764,442 0.559,443 -0.716,444 2,445 0.117,446 -0.865,447 -1.066,449 -2.077,450 -0.867,451 0.5,452 -1,453 2,455 -1,456 -1.28,458 -3,459 -1,461 -1,462 1.902,464 -1,465 -1.479,467 -3,468 -1,469 10.281,470 0.49,471 0.649,472 0.031,473 26.5,474 1.262,475 14,476 0.667,477 12.5,478 0.595,479 17.447,480 0.831,481 22.719,482 0.583,483 17.599,484 0.838,485 4.943,486 0.235,487 4.993,488 0.238,489 0.248,490 0.049,491 0.243,496 0.645,497 1.218,498 0.639,499 1.025,500 0.609,501 0.966,502 0.525,503 0.986,504 0.594,505 0.885,506 0.454,507 0.836,508 0.874,509 1.211,510 0.792,511 1.094,512 0.679,513 1.07,514 0.821,515 0.989,516 0.931,517 1.094,518 0.852,519 1.059,520 0.766,521 0.859,522 0.67,523 0.844,524 0.987,525 0.845,526 0.964,527 0.942,528 0.678,529 0.818,530 1.019,531 0.82,532 1.993,533 0.821,534 1.348,535 0.806,536 1.05,537 0.868,538 1.493,539 1.046,540 1.321,541 1.106,542 1.366,543 1.09,544 5.5,545 0.079,546 3.333,547 1.625,548 0.924,549 0.764,550 0.284,551 0.252,552 0.225,553 0.17,554 4134,555 11327,556 1.93,557 46.2,558 11,559 6,561 1,567 1.627,568 1.762,569 3.192,570 -0.797,575 59.585,576 1.528,577 3.286,578 3.951,579 4.458,580 4.458,581 4.458,582 2.653,583 3.916,584 4.366,585 3.361,586 705.743,587 7.457,588 7620.84,590 1,593 206.131,594 1.705,595 4.283,596 0.25,597 0.007,598 0.108,599 0.051,600 0.036,601 0.038,602 0.016,603 0.016,604 0.016,605 0.014,606 0.55,607 0.5,608 1,609 1.12,610 95.757,611 -0.001,612 -0.102,613 0.02,614 -0.05,615 -0.062,616 -0.012,617 0.269,618 0.071,619 0.17,620 0.08,621 0.217,622 0.126,623 -0.016,624 -0.199,625 0.017,626 -0.124,627 0.052,628 -0.105,629 0.244,630 -0.05,631 0.04,632 -0.124,633 0.199,634 -0.085,635 0.036,636 0.044,637 0.148,638 0.112,639 0.025,640 0.161,641 -0.001,642 -0.01,643 0.185,644 0.138,645 -0.007,646 0.163,647 -0.372,648 0.16,649 -0.152,650 0.169,651 -0.196,652 0.053,653 -0.236,654 -0.038,655 -0.234,656 -0.126,657 -0.126,658 -0.15,659 2.171,660 5.026,661 0.571,662 16.254,663 1.001,664 1.118,665 3.808,666 14.503,667 0.683,668 3.135,669 3.466,670 3.664,671 3.761,672 3.871,673 3.85,674 3.871,675 3.85,676 3.829,677 3.85,678 5.657,679 0.642,680 303.81,681 3.135,682 4.673,683 5.501,684 6.368,685 7.212,686 8.079,687 8.926,688 9.794,689 10.642,690 11.511,691 2.6,701 1,709 7,710 1,714 4,716 12,726 1,737 1,738 39,739 13,740 1,741 22,743 40,744 17,745 11,746 2,747 4,748 1,752 2,753 2,754 1,759 3,760 1,766 1,768 12,769 5,772 1,778 1,782 1,789 18,790 3,792 4,793 1,797 1,803 1,804 2,816 1,823 2,855 2,859 3,860 1,862 21,869 1,872 1,876 1,885 1,886 5.1,889 1,891 1,893 11.917,894 8.01,895 4.681,896 2.451,898 2.172,899 1.346,900 0.918,901 4.764,902 8.456,903 3.401,904 3.97,905 4.477,906 4.94,907 5.392,908 5.416,909 5.636,910 5.765,911 5.922,912 6.229,913 1,914 32,915 7.74,917 3.182,918 7.819,919 14.638,921 11.562,924 2.319,925 48.694,929 211.88,930 116.793,931 16.786,932 39.149,933 36.145,936 116.793,937 287.173,938 16.786,939 26.476,940 2.535,941 56.857,942 60.893,943 31.662,944 42.22,945 200.109,947 211.88,948 133.578,949 36.145,950 39.149,952 211.88,953 36.145,956 38.058,957 78.735,958 16.786,959 39.149,960 211.88,961 52.93,962 155.941,965 211.88,966 24.412,967 92.381,969 92.079,970 211.88,971 52.93,972 155.941,973 0.589,974 0.347,975 0.159,976 0.074,977 14,978 7,979 0.125,980 5,982 1,983 3.242,984 150.962,986 12,987 86.239,993 15.683,994 6.379,995 3.689,997 52.93,998 12.333,999 3.864,1003 2.114,1006 420.752,1007 29,1013 12.026,1017 -0.504,1020 39.033,1021 43.598,1022 0.289,1023 0.622,1024 0.748,1025 0.843,1026 0.843,1027 0.843,1028 4.635,1029 1,1030 5.541,1031 2.541,1032 4.143,1033 4.654,1034 1.888,1035 6.392,1036 4.063,1037 5.865,1038 0.396,1039 7.151,1040 2.275,1041 4.007,1042 4.511,1044 7.703,1045 3.906,1046 7.192,1047 -0.038,1048 8.879,1049 0.536,1050 5.849,1051 6.812,1052 2.817,1053 10.671,1054 5.728,1055 8.556,1056 -0.298,1057 10.681,1058 -0.091,1059 6.509,1060 7.405,1062 12.771,1063 6.39,1064 9.95,1065 -0.825,1066 12.529,1067 -0.646,1068 7.907,1069 9.241,1070 3.808,1071 15.381,1072 7.774,1073 11.364,1074 -0.865,1075 14.41,1076 -2.015,1077 8.883,1078 10.175,1080 17.742,1081 8.76,1082 12.795,1083 -1,1084 16.313,1085 -2.077,1086 10.136,1087 11.799,1088 4.825,1089 20.264,1090 10.007,1091 3.368,1092 -1,1093 18.233,1094 -3,1095 11.24,1096 12.912,1098 22.715,1099 11.121,1100 2.968,1101 12.335,1102 20.165,1103 -3,1104 12.447,1105 14.424,1106 5.851,1107 25.218,1108 12.328,1109 2.488,1110 9.673,1111 22.107,1112 3.933,1113 13.603,1114 15.637,1116 27.702,1117 13.493,1118 1.941,1119 7.154,1120 24.056,1121 3.839,1122 14.799,1123 17.086,1124 6.88,1125 30.205,1126 14.693,1127 1.606,1128 5.25,1129 26.011,1130 3.203,1131 15.978,1132 18.358,1134 32.703,1135 15.88,1136 1.414,1137 4.65,1138 27.971,1139 2.594,1140 17.173,1141 19.769,1142 7.91,1143 35.208,1144 17.081,1145 1.021,1146 3.055,1147 29.935,1148 2.087,1149 18.365,1150 21.076,1152 37.712,1153 18.279,1154 4242,1155 7276,1156 13.811,1157 26.625,1158 32.845,1159 33.99,1160 34.516,1161 32.62,1162 32.406,1163 42.128,1164 3.349,1165 94.935,1166 30.931,1167 5.313,1168 5.721,1169 6.97,1170 5.424,1171 5.368,1172 6.933,1173 3.349,1174 19.407,1175 5.367,1176 12.542,1177 1.493,1178 1.545,1179 1.569,1180 1.483,1181 1.473,1182 1.915,1183 0.152,1184 4.315,1185 1.406,1186 3.985,1187 4.009,1188 4.014,1189 3.913,1190 7.433,1191 3.91,1192 3.869,1193 3.897,1194 3.886,1195 3.777,1196 5.029,1197 3.782,1198 3.622,1199 3.673,1200 3.501,1201 3.505,1202 4.809,1203 3.492,1204 3.243,1205 3.307,1206 3.31,1207 3.023,1208 4.36,1209 3.04,1210 3.173,1211 3.21,1212 3.177,1213 2.967,1214 4.326,1215 2.952,1216 2.874,1217 3.009,1218 2.911,1219 2.735,1220 4.036,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.675,1226 3.792,1227 2.669,1228 2.811,1229 2.845,1230 2.584,1231 2.618,1232 3.727,1233 2.57,1234 0.204,1235 0.169,1236 0.331,1237 0.199,1238 0.153,1239 4.481,1240 0.179,1241 3.721,1242 0.076,1243 7.286,1244 0.561,1245 4.368,1246 0.153,1247 3.368,1248 3.933,1249 1.674,1250 12.335,1251 3.367,1252 1.956,1253 1.931,1254 2.092,1255 2.048,1256 1.34,1257 2.062,1258 1.825,1259 1.801,1260 1.906,1261 1.947,1262 0.976,1263 1.941,1264 1.629,1265 1.579,1266 1.846,1267 1.781,1268 0.939,1269 1.806,1270 1.242,1271 1.149,1272 1.629,1273 1.488,1274 0.726,1275 1.541,1276 1.078,1277 1.067,1278 1.417,1279 1.348,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.189,1285 1.239,1286 0.218,1287 1.289,1288 0.886,1289 0.804,1290 1.181,1291 1.062,1292 0.205,1293 1.107,1294 0.722,1295 0.692,1296 0.991,1297 0.908,1298 0.139,1299 0.917,1300 3.807,1302 5.13,1304 6.655,1306 8.26,1308 9.899,1310 6.519,1311 5.877,1315 1.039,1318 5.319,1322 0.106,1326 25.02,1327 59.585,1328 128.161,1329 154.092,1330 173.866,1331 173.866,1332 173.866,1333 41.044,1334 6.284,1335 39.19,1336 39.19,1337 12,1338 12.059,1339 3.807,1340 3,1341 39.501,1342 72,1343 62,1344 0.276,1345 161.681,1346 281.45,1347 386.262,1348 3705,1349 2.6,1350 15.458,1351 0.736,1352 0.626,1353 15.958,1354 13.146,1355 9.937,1356 0.452,1357 0.329,1358 6.843,1359 9.4,1360 6.502,1361 5.496,1362 10.225,1363 7.248,1364 9.198,1365 0.297,1366 0.189,1367 9.569,1368 5.851,1369 7.477,1370 0.197,1371 0.106,1372 7.835,1373 4.01,1374 5.359,1375 0.128,1376 0.049,1377 5.709,1378 2.075,1379 3.794,1380 0.081,1381 0.025,1382 3.964,1383 1.186,1384 0.434,1385 64.644,1386 0.269,1387 20.954,1388 0.751,1389 106,1390 317.32,1391 130.422,1392 336.973,1393 445.72,1394 312,1395 122,1396 303.237,1397 141.356,1398 318.429,1399 462.59,1400 297,1401 4.33}
{0 CHEMBL1351510,1 1.402,2 9.429,3 4.051,4 16.411,5 83.988,6 7.704,7 0.739,8 3.682,9 3.775,10 3.282,11 3.3,12 4.876,13 3.279,14 4.127,15 4.257,16 3.587,17 3.644,18 5.265,19 3.608,20 4.327,21 4.487,22 3.651,23 3.748,24 5.457,25 3.693,26 4.349,27 4.534,28 3.471,29 3.664,30 5.468,31 3.571,32 4.3,33 4.542,34 3.303,35 3.521,36 5.318,37 3.407,38 4.103,39 4.331,40 3.218,41 3.364,42 5.171,43 3.283,44 3.965,45 4.138,46 3.159,47 3.339,48 5.105,49 3.267,50 3.97,51 4.171,52 2.981,53 3.287,54 4.966,55 3.163,56 0.022,57 0.436,58 6.616,59 3.293,60 7.764,61 3.951,62 0.08,63 0.691,64 11.417,65 5.182,66 12.92,67 6.288,68 0.1,69 0.857,70 14.747,71 6.384,72 18.992,73 7.963,74 0.171,75 0.883,76 15.827,77 6.565,78 28.746,79 8.378,80 0.162,81 0.854,82 16.52,83 6.528,84 26.59,85 8.92,86 0.117,87 0.688,88 13.471,89 5.278,90 23.486,91 6.948,92 0.127,93 0.587,94 10.75,95 4.39,96 22.147,97 5.341,98 0.064,99 0.573,100 11.025,101 4.947,102 16.099,103 6.433,104 6,105 31,106 0.252,107 0.529,108 0.671,109 0.807,110 0.855,111 0.865,112 3.103,113 0.869,114 -4.73,115 -4.65,116 -4.37,120 50,125 1,143 10,144 3,145 3,156 1,174 11,177 5,182 2,185 14,189 5,194 2,197 12,201 3,204 1,206 2,209 6,213 1,214 3,219 2,222 5,227 1,232 3,235 8,240 1,245 2,247 12,252 1,260 8,264 3,267 1,271 2,274 560,275 14.508,276 14.508,277 14.508,278 14.508,279 14.508,280 12.339,281 13.322,282 8.614,283 14.778,284 11.276,285 11.276,286 11.276,287 11.276,288 11.276,289 8.033,290 16.117,291 3.995,292 11.63,293 3.768,294 2.223,295 1.43,296 0.674,297 0.41,298 0.354,299 3.788,305 1,306 1,307 1,308 427,309 2.449,313 166.56,317 88.323,320 1.361,321 14.22,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44.5,333 198,334 4.572,335 3.194,336 6.67,337 4.113,338 3.122,339 4.509,340 0.86,341 10.718,342 3.094,343 4.056,344 2.885,345 5.616,346 3.612,347 2.648,348 3.67,349 0.6,350 7.381,351 2.551,352 3.758,353 2.576,354 5.474,355 3.31,356 2.336,357 3.251,359 7.158,360 2.273,361 3.517,362 2.431,363 5.105,364 3.105,365 2.168,366 2.834,368 6.254,369 2.022,370 3.222,371 1.868,372 4.656,373 2.751,374 1.763,375 2.55,377 4.78,378 1.738,379 2.902,380 1.495,381 3.771,382 2.412,383 1.42,384 2.091,386 3.069,387 1.407,388 2.657,389 1.39,390 3.606,391 2.069,392 1.098,393 1.605,395 2.679,396 1.064,397 2.5,398 1.065,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.215,407 1,408 3.184,409 1.656,410 0.708,411 1.013,413 1.546,414 0.666,415 1.678,416 0.766,417 2.829,418 1.372,419 0.479,420 0.563,422 0.812,423 0.424,424 1.366,425 0.381,426 2.592,427 0.953,428 0.026,429 0.032,431 0.055,432 0.023,433 0.999,434 -0.121,435 2.349,436 0.551,437 -0.42,438 -0.562,440 -0.911,441 -0.402,442 0.823,443 -0.454,444 2.077,445 0.357,446 -0.602,447 -0.862,449 -1.358,450 -0.575,451 0.554,452 -0.815,453 2,454 0.081,455 -0.9,456 -1.265,458 -2.169,459 -0.879,460 0.5,461 -0.902,462 2,464 -1,465 -1.5,467 -3,468 -1,469 10.067,470 0.479,471 0.397,472 0.019,473 31.75,474 1.512,475 19,476 0.905,477 12.75,478 0.607,479 11.771,480 0.561,481 21.133,482 0.587,483 21.006,484 1,485 6.543,486 0.312,487 3.732,488 0.178,489 0.083,491 0.298,496 0.901,497 1.009,498 0.768,499 0.921,500 0.971,501 0.844,502 1.077,503 0.978,504 0.883,505 0.902,506 0.77,507 0.871,508 1.045,509 1.093,510 0.971,511 1.016,512 0.944,513 0.986,514 1.009,515 1.212,516 1.172,517 1.166,518 1.14,519 1.187,520 0.67,521 1.002,522 0.909,523 0.969,524 0.89,525 0.966,526 0.991,527 0.867,528 0.85,529 0.831,530 1.167,531 0.815,532 1.386,533 0.849,534 1.172,535 0.924,536 1.594,537 0.993,538 0.815,539 1.106,540 1.118,541 1.212,542 1.069,543 1.215,544 3.5,545 0.045,546 2.444,547 1,548 1.049,549 0.583,550 0.304,551 0.146,552 0.163,553 0.112,554 4479,555 11928,556 2.102,557 41.7,559 13,561 1,562 1,567 1.63,568 2,569 3.188,570 -0.385,572 1,575 50.455,576 1.402,577 2.947,578 3.74,579 4.496,580 4.76,581 4.816,582 2.661,583 4.071,584 4.364,585 3.325,586 698.228,587 7.466,588 7421.02,590 1,591 1,592 1,593 186.117,594 1.268,595 4.338,596 0.152,597 0.006,598 0.079,599 0.031,600 0.042,601 0.028,602 0.015,603 0.008,604 0.011,605 0.01,606 0.382,607 0.83,608 1,609 0.741,610 95.158,611 -0.058,612 -0.021,613 0.029,614 0.023,615 -0.147,616 0.034,617 -0.112,618 0.018,619 -0.02,620 0.044,621 -0.044,622 0.028,623 -0.09,624 -0.091,625 -0.067,626 -0.07,627 -0.017,628 -0.066,629 -0.035,630 -0.206,631 -0.232,632 -0.221,633 -0.08,634 -0.252,635 0.108,636 0.004,637 0.095,638 0.002,639 0.062,640 0.039,641 -0.033,642 0.132,643 0.16,644 0.14,645 0.059,646 0.175,647 -0.239,648 0.154,649 -0.229,650 0.025,651 -0.237,652 -0.072,653 -0.037,654 -0.192,655 -0.174,656 -0.218,657 -0.161,658 -0.217,659 1.439,660 4.057,661 0.762,662 14.794,663 0.998,664 1.106,665 3.503,666 12.272,667 0.701,668 3.178,669 3.466,670 3.738,671 3.951,672 4.19,673 4.159,674 4.174,675 4.22,676 4.344,677 4.277,678 5.473,679 0.671,680 277.34,681 3.178,682 4.691,683 5.533,684 6.392,685 7.251,686 8.115,687 8.98,688 9.847,689 10.714,690 11.584,691 2.8,700 1,708 2,709 10,714 4,716 17,719 1,734 1,735 1,738 36,739 18,740 3,741 23,743 38,744 18,745 16,746 6,747 10,748 1,752 3,753 4,768 17,769 1,772 1,780 1,781 1,786 1,789 15,790 3,791 1,792 3,797 1,803 0.667,804 2,823 3,827 1,855 2,859 1,862 21,868 1,872 1,886 5.6,888 1,891 1,893 10.5,894 6.733,895 4.75,896 1.979,898 4.016,899 1.592,900 0.975,901 3.779,902 10.8,903 3.512,904 4.143,905 4.794,906 5.402,907 6.01,908 6.269,909 6.657,910 7.057,911 7.511,912 7.697,913 1,914 32,915 7.7,917 3.198,918 7.714,919 14.653,921 11.693,924 2.214,925 46.5,929 164.795,930 131.025,931 16.786,933 53.683,936 131.025,937 218.479,938 16.786,939 10.883,941 94.762,942 63.502,943 44.117,945 153.024,947 164.795,948 147.81,949 53.683,952 164.795,953 53.683,956 16.786,957 121.977,958 9.047,960 164.795,961 70.469,962 131.025,965 164.795,966 16.332,967 114.693,969 70.469,970 164.795,971 70.469,972 131.025,973 0.571,974 0.342,975 0.181,976 0.1,977 15,978 6,979 0.079,980 3,981 1,982 1.125,983 3.398,984 157.827,985 0.125,986 16,987 88.239,993 13.5,994 5.878,995 2.844,996 2.057,997 70.469,998 18.966,1003 2.556,1005 42.683,1006 366.289,1007 32.5,1015 1.694,1016 4.422,1020 35.942,1021 39.824,1022 0.271,1023 0.57,1024 0.723,1025 0.87,1026 0.921,1027 0.931,1028 4.703,1029 1,1030 5.493,1031 2.679,1032 4.143,1033 4.828,1034 1.163,1035 6.271,1036 4.089,1037 5.917,1038 0.708,1039 7.031,1040 2.275,1041 3.611,1042 4.559,1044 7.14,1045 3.526,1046 7.22,1047 0.479,1048 8.671,1049 1.546,1050 5.7,1051 7.103,1052 0.856,1053 10.222,1054 5.608,1055 8.564,1056 0.026,1057 10.374,1058 0.812,1059 6.019,1060 7.707,1062 11.96,1063 5.9,1064 9.941,1065 -0.42,1066 12.118,1067 0.055,1068 7.54,1069 9.669,1070 0.643,1071 14.567,1072 7.422,1073 11.342,1074 -0.602,1075 13.891,1076 -0.911,1077 8.267,1078 10.711,1080 16.669,1081 8.133,1082 12.762,1083 -0.9,1084 15.687,1085 -1.358,1086 9.55,1087 12.415,1088 0.49,1089 19.124,1090 9.417,1091 3.122,1092 -1,1093 17.501,1094 -2.169,1095 10.482,1096 13.687,1098 21.382,1099 10.34,1100 2.648,1101 10.718,1102 19.328,1103 -3,1104 11.666,1105 15.274,1106 0.375,1107 23.785,1108 11.523,1109 2.336,1110 7.381,1111 21.166,1112 4.509,1113 12.699,1114 16.663,1116 26.108,1117 12.55,1118 2.168,1119 7.158,1120 23.015,1121 3.67,1122 13.844,1123 18.198,1124 0.286,1125 28.492,1126 13.693,1127 1.763,1128 6.254,1129 24.871,1130 3.251,1131 14.928,1132 19.646,1134 30.843,1135 14.771,1136 1.42,1137 4.78,1138 26.735,1139 2.834,1140 16.06,1141 21.16,1142 0.218,1143 33.219,1144 15.899,1145 1.098,1146 3.069,1147 28.604,1148 2.55,1149 17.168,1150 22.636,1152 35.582,1153 17.002,1154 4353,1155 7189,1156 15.603,1157 25.245,1158 33.892,1159 34.392,1160 34.736,1161 33.496,1162 33.536,1163 47.236,1164 2.92,1165 93.451,1166 32.525,1167 5.193,1168 5.194,1169 6.353,1170 5.117,1171 5.122,1172 7.509,1173 1.72,1174 17.86,1175 5.094,1176 8.117,1177 1.474,1178 1.495,1179 1.51,1180 1.456,1181 1.458,1182 2.054,1183 0.127,1184 4.063,1185 1.414,1186 4.096,1187 4.114,1188 4.057,1189 4.054,1190 6.469,1191 4.052,1192 3.898,1193 3.922,1194 3.843,1195 3.819,1196 4.945,1197 3.821,1198 3.509,1199 3.542,1200 3.432,1201 3.411,1202 4.83,1203 3.41,1204 3.312,1205 3.364,1206 3.211,1207 3.13,1208 4.578,1209 3.139,1210 3.16,1211 3.228,1212 2.999,1213 2.951,1214 4.227,1215 2.955,1216 2.906,1217 2.964,1218 2.769,1219 2.735,1220 4.125,1221 2.73,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.71,1227 2.715,1228 2.742,1229 2.777,1230 2.628,1231 2.585,1232 3.674,1233 2.587,1234 0.199,1235 0.139,1236 0.29,1237 0.179,1238 0.136,1239 4.572,1240 0.196,1241 3.194,1242 0.037,1243 6.67,1244 0.466,1245 4.113,1246 0.135,1247 3.122,1248 4.509,1249 0.86,1250 10.718,1251 3.094,1252 2.075,1253 2.06,1254 2.149,1255 2.132,1256 1.292,1257 2.138,1258 1.875,1259 1.852,1260 1.98,1261 1.978,1262 1.049,1263 1.979,1264 1.494,1265 1.463,1266 1.648,1267 1.631,1268 0.688,1269 1.635,1270 1.254,1271 1.202,1272 1.57,1273 1.525,1274 0.574,1275 1.537,1276 1.15,1277 1.081,1278 1.382,1279 1.351,1280 0.43,1281 1.368,1282 0.886,1283 0.824,1284 1.181,1285 1.094,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.125,1291 1.062,1292 0.149,1293 1.101,1294 0.694,1295 0.658,1296 0.924,1297 0.945,1298 0.018,1299 0.936,1300 3.85,1302 5.142,1304 6.65,1306 8.256,1308 9.911,1310 1.631,1314 10.057,1318 5.117,1326 24.139,1327 50.455,1328 106.089,1329 134.633,1330 161.853,1331 171.362,1332 173.362,1333 26.829,1334 6.784,1335 41.82,1336 41.82,1337 18,1338 12.128,1339 4.248,1340 3.392,1341 32.278,1342 68,1343 78,1344 0.232,1345 149.693,1346 255,1347 357.01,1348 7603,1350 14.656,1351 0.698,1352 0.555,1353 14.656,1354 11.654,1355 10.275,1356 0.447,1357 0.29,1358 6.593,1359 9.982,1360 6.404,1361 5.357,1362 10.275,1363 6.666,1364 8.799,1365 0.284,1366 0.151,1367 8.799,1368 4.676,1369 7.693,1370 0.188,1371 0.082,1372 7.693,1373 3.363,1374 6.127,1375 0.12,1376 0.044,1377 6.127,1378 2.227,1379 5.077,1380 0.078,1381 0.023,1382 5.077,1383 1.5,1384 0.362,1385 63.798,1386 0.253,1387 20.878,1388 0.639,1389 108,1390 305.53,1391 114.703,1392 299.97,1393 414.22,1394 282,1395 126,1396 305.041,1397 132.483,1398 314.333,1399 453.5,1400 295,1401 4.455}
{0 CHEMBL1351519,1 1.87,2 8.522,3 2.78,4 7.727,5 83.762,6 10.073,7 0.68,8 3.625,9 3.722,10 3.428,11 3.113,12 5.081,13 3.169,14 4.038,15 4.132,16 3.764,17 3.477,18 5.687,19 3.531,20 4.224,21 4.373,22 3.798,23 3.543,24 5.596,25 3.592,26 4.349,27 4.508,28 3.871,29 3.476,30 5.843,31 3.577,32 4.286,33 4.441,34 3.864,35 3.388,36 5.897,37 3.511,38 4.131,39 4.247,40 3.73,41 3.248,42 6.152,43 3.354,44 3.839,45 3.986,46 3.332,47 3.087,48 5.378,49 3.122,50 3.858,51 4.021,52 3.198,53 2.875,54 5.537,55 2.93,56 0.269,57 0.542,58 2.545,59 2.154,60 19.487,61 2.036,62 0.463,63 0.789,64 4.046,65 3.577,66 77.422,67 3.263,68 0.505,69 0.889,70 7.903,71 4.269,72 55.15,73 4.4,74 0.768,75 0.919,76 10.955,77 3.89,78 98.317,79 3.338,80 0.752,81 0.854,82 9.782,83 3.129,84 86.533,85 2.418,86 0.82,87 0.682,88 7.276,89 2.903,90 139.875,91 2.245,92 0.39,93 0.541,94 5.336,95 3.015,96 40.754,97 3.035,98 0.553,99 0.44,100 8.37,101 3.143,102 75.908,103 3.329,104 21,105 35,106 0.339,107 0.532,108 0.649,109 0.778,110 0.829,111 0.829,112 3.19,113 0.762,114 -5.27,115 -5.15,116 -4.82,120 41.9,143 8,144 1,145 3,162 1,167 7,174 7,176 5,177 6,185 7,188 1,189 17,197 4,200 4,201 17,209 1,213 9,214 13,222 4,226 11,227 6,235 6,239 4,240 7,247 5,251 4,252 9,260 2,264 8,274 707,275 15.397,276 15.397,277 15.397,278 15.397,279 15.397,280 12.818,281 14.187,282 9.093,283 15.604,284 12.328,285 12.328,286 12.328,287 12.328,288 12.328,289 8.554,290 16.091,291 4.263,292 12.659,293 3.084,294 2.024,295 1.379,296 0.67,297 0.387,298 0.387,299 3.866,305 1,306 1,307 1,308 413,309 3,312 61.383,313 139.748,320 1.24,321 36.488,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 53,333 196,334 4.601,335 3.837,336 6.849,337 4.181,338 3.222,339 4.356,340 2.612,341 11.384,342 3.087,343 4.297,344 3.752,345 6.299,346 3.84,347 2.869,348 3.978,349 2.612,350 9.424,351 2.784,352 4.067,353 3.182,354 5.862,355 3.526,356 2.56,357 3.669,359 7.951,360 2.471,361 3.726,362 2.606,363 5.433,364 3.213,365 2.236,366 3.243,368 6.588,369 2.179,370 3.372,371 2.146,372 4.632,373 2.764,374 1.784,375 2.758,377 4.568,378 1.746,379 2.975,380 1.798,381 3.96,382 2.435,383 1.436,384 2.137,386 3.25,387 1.434,388 2.847,389 1.453,390 3.756,391 2.252,392 1.261,393 1.977,395 2.92,396 1.249,397 2.612,398 1.325,399 3.594,400 2,401 1,402 1.599,404 2.415,405 1,406 2.5,407 1,408 3.474,409 2,410 1,411 1.5,413 2.136,414 1,415 2.338,416 1,417 3.336,418 1.804,419 0.822,420 1.242,422 2.093,423 0.806,424 2.264,425 1,426 3.247,427 1.741,428 0.77,429 1.147,431 1.939,432 0.746,433 1.083,434 0.913,435 2.527,436 0.644,437 -0.332,438 -0.452,440 -0.848,441 -0.323,442 1,443 0.776,444 2.32,445 0.305,446 -0.686,447 -0.946,449 -1.578,450 -0.68,451 1,452 -0.082,453 2.242,454 0.166,455 -0.822,456 -1.179,458 -2,459 -0.811,460 0.744,461 -0.583,462 1.898,464 -1,465 -1.5,467 -2,468 -1,469 10.233,470 0.445,471 0.597,472 0.026,473 36.75,474 1.598,475 22,476 0.957,477 14.75,478 0.641,479 11.823,480 0.514,481 23.967,482 0.773,483 27.849,484 1.211,485 7.573,486 0.329,487 3.502,488 0.152,489 0.13,491 0.362,496 0.241,497 0.808,498 0.486,499 0.782,500 0.481,501 0.783,502 0.446,503 1.182,504 0.64,505 1.155,506 0.38,507 1.053,508 0.717,509 1.336,510 0.772,511 1.24,512 0.533,513 1.09,514 1.195,515 1.196,516 1.035,517 0.952,518 1.087,519 0.909,520 1.128,521 0.902,522 1.027,523 0.722,524 1.141,525 0.759,526 0.783,527 0.787,528 1.054,529 0.791,530 0.8,531 0.949,532 0.72,533 0.963,534 0.991,535 1.305,536 0.724,537 1.297,538 1.109,539 0.893,540 1.115,541 1.177,542 1.277,543 1.197,544 4,545 0.037,546 2.889,547 1.431,548 1.334,549 1.129,550 0.487,551 0.28,552 0.247,553 0.101,554 4936,555 21005,556 2.041,557 25.8,559 8,567 1.664,568 1.89,569 3.081,570 -0.558,572 1,574 1,575 57.965,576 1.87,577 2.93,578 3.575,579 4.285,580 4.567,581 4.567,582 2.496,583 4.089,584 4.494,585 3.194,586 808.02,587 7.775,588 8917.64,589 1,590 1,591 1,592 1,593 153.58,594 1.478,595 4.443,596 0.16,597 0.007,598 0.083,599 0.04,600 0.036,601 0.031,602 0.016,603 0.013,604 0.015,605 0.011,606 0.413,607 0.17,608 1,609 0.942,610 105.388,611 0.39,612 0.371,613 0.086,614 0.167,615 0.021,616 0.002,617 0.25,618 -0.087,619 0.014,620 -0.15,621 0.259,622 -0.184,623 -0.03,624 -0.322,625 0.117,626 -0.23,627 0.055,628 -0.06,629 -0.258,630 -0.215,631 -0.045,632 -0.036,633 -0.188,634 0.04,635 -0.136,636 0.127,637 -0.084,638 0.127,639 -0.188,640 0.088,641 0.369,642 0.206,643 -0.146,644 0.102,645 0.417,646 -0.133,647 0.106,648 0.008,649 -0.033,650 -0.285,651 0.048,652 -0.253,653 0.046,654 -0.094,655 0.14,656 -0.118,657 -0.042,658 -0.018,659 2.71,660 4.241,661 0.739,662 17.032,663 1.058,664 1.137,665 4.036,666 16.29,667 0.697,668 3.258,669 3.584,670 3.871,671 4.143,672 4.357,673 4.443,674 4.522,675 4.522,676 4.5,677 4.443,678 5.126,679 0.726,680 312.27,681 3.258,682 4.796,683 5.652,684 6.538,685 7.421,686 8.315,687 9.206,688 10.103,689 10.999,690 11.898,691 19.4,699 1,701 3,702 2,709 8,710 3,714 5,715 1,716 17,731 2,738 31,739 21,740 2,741 25,743 33,744 13,745 13,746 4,747 8,752 3,753 3,768 13,772 4,775 2,778 4,785 1,786 1,789 8,790 7,792 10,797 6,803 1,804 4,822 1,823 2,855 3,862 23,886 12.9,892 4,893 12.167,894 5.783,895 5.083,896 1.684,898 3.602,899 1.521,900 0.963,901 3.791,902 10.515,903 3.651,904 4.294,905 4.87,906 5.478,907 6.009,908 6.385,909 6.804,910 7.112,911 7.408,912 7.699,913 0.833,914 36,915 8.425,917 3.701,918 8.428,919 14.895,921 11.768,924 2.928,925 67.333,929 94.169,930 89.594,931 62.861,933 101.494,936 89.594,937 195.663,938 62.861,939 11.34,941 75.81,942 52.072,943 13.232,945 94.169,946 101.494,947 94.169,948 152.454,949 101.494,952 94.169,954 101.494,956 4.104,957 87.266,958 61.084,960 94.169,961 164.354,962 89.594,965 94.169,966 13.784,967 88.927,969 151.238,970 94.169,971 164.354,972 89.594,973 0.582,974 0.343,975 0.188,976 0.106,977 17,978 8,979 0.121,980 4,982 1,983 3.39,984 187.655,986 17,987 96.042,993 14.755,994 5.909,995 2.777,997 151.238,998 12.158,999 11.167,1003 0.163,1004 1.178,1006 348.117,1007 37.5,1010 -1.409,1013 44.077,1020 32.804,1021 35.243,1022 0.377,1023 0.591,1024 0.722,1025 0.865,1026 0.922,1027 0.922,1028 4.862,1029 1,1030 5.645,1031 2.92,1032 4.263,1033 4.98,1034 3.153,1035 6.485,1036 4.208,1037 6.099,1038 1,1039 7.225,1040 2.415,1041 3.892,1042 4.868,1043 3.006,1044 7.483,1045 3.778,1046 7.424,1047 0.822,1048 8.911,1049 2.136,1050 5.872,1051 7.238,1052 4.84,1053 10.607,1054 5.744,1055 8.79,1056 0.77,1057 10.661,1058 2.093,1059 6.347,1060 7.958,1061 5.194,1062 12.449,1063 6.152,1064 10.187,1065 -0.332,1066 12.452,1067 1.939,1068 7.803,1069 9.781,1070 6.64,1071 15.095,1072 7.593,1073 11.606,1074 -0.686,1075 14.269,1076 -0.848,1077 8.646,1078 10.87,1079 7.248,1080 17.266,1081 8.371,1082 13.042,1083 -0.822,1084 16.105,1085 -1.578,1086 9.902,1087 12.476,1088 8.487,1089 19.758,1090 9.605,1091 3.222,1092 -1,1093 17.954,1094 -2,1095 10.91,1096 13.741,1097 9.241,1098 22.068,1099 10.556,1100 2.869,1101 11.384,1102 19.814,1103 -2,1104 12.092,1105 15.255,1106 10.363,1107 24.509,1108 11.707,1109 2.56,1110 9.424,1111 21.682,1112 4.356,1113 13.176,1114 16.608,1115 11.202,1116 26.88,1117 12.738,1118 2.236,1119 7.951,1120 23.556,1121 3.978,1122 14.332,1123 18.082,1124 12.256,1125 29.306,1126 13.858,1127 1.784,1128 6.588,1129 25.436,1130 3.669,1131 15.452,1132 19.482,1133 13.145,1134 31.706,1135 14.929,1136 1.436,1137 4.568,1138 27.321,1139 3.243,1140 16.603,1141 20.941,1142 14.161,1143 34.13,1144 16.04,1145 1.261,1146 3.25,1147 29.209,1148 2.758,1149 17.741,1150 22.365,1151 15.079,1152 36.543,1153 17.131,1154 4914,1155 10316,1156 16.414,1157 21.614,1158 38.198,1159 40.011,1160 39.286,1161 37.952,1162 37.921,1163 55.214,1164 10.45,1165 109.333,1166 37.005,1167 5.312,1168 5.837,1169 6.651,1170 5.21,1171 5.222,1172 7.356,1173 4.612,1174 18.873,1175 5.087,1176 11.821,1177 1.528,1178 1.6,1179 1.571,1180 1.518,1181 1.517,1182 2.209,1183 0.418,1184 4.373,1185 1.48,1186 4.095,1187 4.135,1188 4.076,1189 3.936,1190 7.819,1191 3.958,1192 3.915,1193 3.948,1194 3.874,1195 3.816,1196 7.811,1197 3.819,1198 3.678,1199 3.729,1200 3.663,1201 3.337,1202 6.999,1203 3.406,1204 3.596,1205 3.635,1206 3.58,1207 3.097,1208 6.999,1209 3.219,1210 3.273,1211 3.302,1212 3.231,1213 2.888,1214 5.231,1215 2.964,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.712,1221 2.715,1222 2.778,1223 2.841,1224 2.674,1225 2.606,1226 4.588,1227 2.625,1228 2.686,1229 2.744,1230 2.552,1231 2.405,1232 3.7,1233 2.468,1234 0.184,1235 0.153,1236 0.274,1237 0.167,1238 0.129,1239 4.601,1240 0.174,1241 3.837,1242 0.104,1243 6.849,1244 0.455,1245 4.181,1246 0.123,1247 3.222,1248 4.356,1249 2.612,1250 11.384,1251 3.087,1252 1.961,1253 1.934,1254 2.037,1255 2.15,1256 1.142,1257 2.098,1258 1.881,1259 1.854,1260 1.983,1261 1.981,1262 1.061,1263 1.986,1264 1.341,1265 1.305,1266 1.377,1267 1.839,1268 0.44,1269 1.684,1270 1.205,1271 1.166,1272 1.277,1273 1.617,1274 0.218,1275 1.514,1276 1.041,1277 0.998,1278 1.181,1279 1.37,1280 0.213,1281 1.307,1282 0.886,1283 0.821,1284 1.174,1285 1.327,1286 0.153,1287 1.229,1288 0.843,1289 0.739,1290 0.892,1291 1.062,1293 1.107,1294 0.6,1295 0.551,1296 0.795,1297 0.896,1299 0.91,1300 3.932,1302 5.252,1303 2.398,1304 6.772,1305 4.595,1306 8.384,1307 6.605,1308 10.047,1326 22.514,1327 57.965,1328 90.825,1329 110.825,1330 132.825,1331 141.58,1332 141.58,1333 50.155,1334 6.914,1335 135.24,1336 135.24,1337 17,1338 12.422,1339 4.459,1340 3.755,1341 36.539,1342 69,1343 69,1344 0.264,1345 140.767,1346 238.44,1347 335.233,1348 8221,1350 16.397,1351 0.713,1352 0.497,1353 16.397,1354 11.435,1355 11.075,1356 0.443,1357 0.254,1358 6.198,1359 10.297,1360 6.15,1361 5.108,1362 11.075,1363 6.347,1364 10.046,1365 0.287,1366 0.128,1367 10.046,1368 4.468,1369 8.225,1370 0.175,1371 0.066,1372 8.225,1373 3.096,1374 6.863,1375 0.111,1376 0.033,1377 6.863,1378 2.067,1379 5.487,1380 0.071,1381 0.017,1382 5.487,1383 1.335,1384 0.397,1385 72.195,1386 0.247,1387 22.055,1388 0.776,1389 120,1390 514.813,1391 140.096,1392 489.889,1393 644.95,1394 446,1395 142,1396 489.891,1397 163.352,1398 476.969,1399 681.96,1400 444,1401 5.041}
{0 CHEMBL1351908,1 1.329,2 7.889,3 5.033,4 25.332,5 77.971,6 7.678,7 0.8,8 3.572,9 3.677,10 3.256,11 3.305,12 4.601,13 3.213,14 4.075,15 4.231,16 3.658,17 3.695,18 5.029,19 3.576,20 4.274,21 4.473,22 3.627,23 3.773,24 5.185,25 3.611,26 4.298,27 4.531,28 3.421,29 3.68,30 5.151,31 3.477,32 4.114,33 4.372,34 3.046,35 3.429,36 4.886,37 3.229,38 3.821,39 4.062,40 2.928,41 3.219,42 4.618,43 3.059,44 3.685,45 3.881,46 2.938,47 3.151,48 4.588,49 2.969,50 3.69,51 3.935,52 2.485,53 2.992,54 4.454,55 2.759,56 0.028,57 0.399,58 6.93,59 3.172,60 6.195,61 4.247,62 0.069,63 0.697,64 13.426,65 5.582,66 10.084,67 7.377,68 0.081,69 0.863,70 17.652,71 7.348,72 15.334,73 9.456,74 0.111,75 0.928,76 21.303,77 8.121,78 18.556,79 9.908,80 0.087,81 0.751,82 17.122,83 6.712,84 13.75,85 8.509,86 0.044,87 0.522,88 10.388,89 4.598,90 8.611,91 6.315,92 0.047,93 0.478,94 9.945,95 4.069,96 9.472,97 5.171,98 0.088,99 0.539,100 14.432,101 4.814,102 10.5,103 5.286,104 6,105 28,106 0.245,107 0.541,108 0.664,109 0.776,110 0.787,111 0.787,112 2.961,113 1.052,114 -5.32,115 -5.2,116 -4.86,120 48.5,121 2,123 1,143 8,144 2,147 1,153 1,162 1,174 12,177 3,185 15,189 4,197 14,201 3,209 10,214 1,222 9,227 1,235 9,240 2,247 8,260 4,271 6,274 334,275 12.223,276 12.223,277 12.223,278 12.223,279 12.223,280 10.45,281 4.851,282 7.186,283 12.445,284 9.877,285 9.877,286 9.877,287 9.877,288 9.877,289 7.198,290 2.941,291 3.408,292 10.294,293 3.715,294 2.111,295 1.44,296 0.834,297 0.773,298 0.773,299 3.64,306 1,307 1,308 308,309 2.345,312 34.246,313 98.506,316 67.872,320 1.346,321 6.285,324 1,325 1,326 1,327 0.7,328 0.5,329 1,330 1,331 0.89,332 36.5,333 142,334 4.509,335 3.081,336 6.373,337 3.988,338 3.063,339 4.438,341 9.886,342 2.859,343 4.119,344 2.953,345 5.97,346 3.753,347 2.764,348 3.733,350 8.406,351 2.708,352 3.776,353 2.518,354 5.83,355 3.451,356 2.471,357 3.141,359 7.903,360 2.415,361 3.064,362 1.635,363 4.414,364 2.581,365 1.62,366 2.317,368 4.312,369 1.55,370 3.032,371 1.532,372 4.366,373 2.459,374 1.532,375 2.298,377 4.133,378 1.402,379 2.739,380 1.352,381 3.73,382 2.332,383 1.345,384 1.83,386 2.973,387 1.322,388 2.5,389 1,390 3.578,391 2,392 1,393 1.5,395 2.569,396 1,397 2.341,398 1,399 3.414,400 1.954,401 1,402 1.303,404 2.275,405 0.942,406 1.847,407 0.347,408 3,409 1.24,410 0.347,411 0.521,413 0.86,414 0.304,415 0.938,416 -0.357,417 2.508,418 0.551,419 -0.428,420 -0.553,422 -1.039,423 -0.417,424 0.667,425 -0.799,426 2,427 0.156,428 -0.818,429 -1,431 -1.983,432 -0.78,433 0.5,434 -1,435 2,437 -1,438 -1.195,440 -2,441 -0.913,442 0.5,443 -1,444 1.827,446 -1,447 -1.5,449 -2.625,450 -1,451 0.051,452 -1,453 1.586,454 -0.064,455 -1,456 -1.5,458 -3,459 -1,461 -1.238,462 1.494,463 -0.384,464 -1.345,465 -1.675,467 -4.089,468 -1.274,469 9.233,470 0.513,471 0.435,472 0.024,473 24.5,474 1.361,475 14,476 0.778,477 10.5,478 0.583,479 13.076,480 0.726,481 17.767,482 0.538,483 13.265,484 0.737,485 4.409,486 0.245,487 4.328,488 0.24,489 0.108,491 0.325,496 0.743,497 0.941,498 0.75,499 0.816,500 1.01,501 0.847,502 0.721,503 1.002,504 0.774,505 0.868,506 0.741,507 0.846,508 0.961,509 1.045,510 0.94,511 0.965,512 0.841,513 0.971,514 1.42,515 1.066,516 1.282,517 1.142,518 1.209,519 1.046,520 1.137,521 0.907,522 1.083,523 0.999,524 1.067,525 0.958,526 0.499,527 0.843,528 0.626,529 0.762,530 0.66,531 0.87,532 1.161,533 1.212,534 1.151,535 1.166,536 1.178,537 1.176,538 2.487,539 1.049,540 2.061,541 1.516,542 1.8,543 1.165,544 3.5,545 0.04,546 2.222,547 1.042,548 0.809,549 0.497,550 0.176,551 0.147,552 0.171,553 0.055,554 2913,555 6180,556 2.12,557 45.5,558 7,559 8,567 1.582,568 2,569 3.008,570 -0.873,575 43.862,576 1.329,577 2.934,578 3.605,579 4.211,580 4.271,581 4.271,582 2.489,583 3.059,584 4.141,585 3.126,586 478.25,587 7.007,588 4449.46,590 1,593 166.465,594 1.352,595 4.109,596 0.175,597 0.01,598 0.079,599 0.04,600 0.04,601 0.033,602 0.013,603 0.012,604 0.021,605 0.009,606 0.433,607 0.83,608 1,609 0.816,610 76.255,611 0.071,612 -0.002,613 0.078,614 0.055,615 -0.128,616 0.044,617 0.249,618 -0.034,619 0.172,620 0.073,621 0.165,622 0.08,623 0.054,624 -0.068,625 0.049,626 0.007,627 0.129,628 -0.019,629 -0.145,630 -0.033,631 -0.114,632 -0.074,633 -0.092,634 -0.067,635 -0.112,636 0.077,637 -0.067,638 0.002,639 -0.078,640 0.034,641 0.122,642 0.056,643 0.125,644 0.104,645 0.147,646 0.103,647 -0.089,648 -0.227,649 -0.127,650 -0.18,651 -0.138,652 -0.229,653 -0.685,654 0.101,655 -0.551,656 -0.274,657 -0.517,658 -0.168,659 0.755,660 1.676,661 0.833,662 12.457,663 0.981,664 1.101,665 4.088,666 16.713,667 0.727,668 3.045,669 3.367,670 3.638,671 3.871,672 4.078,673 4.159,674 4.248,675 4.277,676 4.317,677 4.29,678 4.818,679 0.664,680 253.39,681 3.045,682 4.575,683 5.425,684 6.297,685 7.166,686 8.044,687 8.92,688 9.8,689 10.68,690 11.562,691 3,701 1,708 2,709 8,710 1,713 1,714 3,716 16,738 33,739 16,740 2,741 20,743 35,744 16,745 13,746 4,747 8,752 3,753 4,759 2,768 13,769 3,770 1,789 15,790 1,792 2,793 1,797 1,803 0.667,822 1,823 2,826 1,855 2,857 1,859 2,862 18,874 1,879 1,893 9,894 6.617,895 3.917,896 2.114,898 3.155,899 1.482,900 1.012,901 2.966,902 9.703,903 3.367,904 4.021,905 4.674,906 5.302,907 5.859,908 6.213,909 6.659,910 7.079,911 7.357,912 7.675,913 1,914 26,915 6.638,917 2.77,918 7.417,919 13.126,921 10.92,924 1.917,925 34.5,926 0.003,929 176.567,930 134.929,931 16.786,935 31.278,936 103.651,937 176.567,938 16.786,939 17.65,941 75.81,942 17.715,943 8.515,944 0.746,945 207.844,947 176.567,948 120.437,950 31.278,952 176.567,956 20.724,957 82.927,958 16.786,959 31.278,960 176.567,961 16.786,962 134.929,965 176.567,966 41.468,967 93.46,969 16.786,970 176.567,971 16.786,972 134.929,973 0.585,974 0.34,975 0.175,976 0.093,977 15,978 6,979 0.057,980 2,981 1,982 1.133,983 3.111,984 130.021,985 0.133,986 15,987 69.059,989 1,993 11.552,994 4.622,995 2.241,996 2.339,997 16.786,998 17.037,999 4.676,1002 1.754,1003 3.687,1006 328.281,1007 28,1020 32.363,1021 36.325,1022 0.263,1023 0.582,1024 0.715,1025 0.835,1026 0.847,1027 0.847,1028 4.575,1029 1,1030 5.407,1031 2.569,1032 4.043,1033 4.705,1035 6.205,1036 3.96,1037 5.796,1038 0.347,1039 6.959,1040 2.275,1041 3.611,1042 4.477,1044 7.071,1045 3.478,1046 7.104,1047 -0.428,1048 8.611,1049 0.86,1050 5.624,1051 6.98,1053 10.136,1054 5.456,1055 8.453,1056 -0.818,1057 10.319,1058 -1.039,1059 6.019,1060 7.62,1062 11.82,1063 5.778,1064 9.835,1065 -1,1066 12.064,1067 -1.983,1068 7.497,1069 9.556,1071 14.371,1072 7.233,1073 11.24,1074 -1,1075 13.831,1076 -2,1077 8.263,1078 10.616,1080 16.379,1081 7.915,1082 12.663,1083 -1,1084 15.614,1085 -2.625,1086 9.519,1087 12.299,1089 18.748,1090 9.142,1091 3.063,1092 -1.345,1093 17.407,1094 -3,1095 10.458,1096 13.571,1098 20.897,1099 9.997,1100 2.764,1101 9.886,1102 19.209,1103 -4.089,1104 11.618,1105 15.14,1107 23.2,1108 11.118,1109 2.471,1110 8.406,1111 21.016,1112 4.438,1113 12.64,1114 16.518,1116 25.413,1117 12.057,1118 1.62,1119 7.903,1120 22.827,1121 3.733,1122 13.762,1123 18.036,1125 27.694,1126 13.129,1127 1.532,1128 4.312,1129 24.642,1130 3.141,1131 14.824,1132 19.468,1134 29.94,1135 14.112,1136 1.345,1137 4.133,1138 26.46,1139 2.317,1140 15.931,1141 20.964,1143 32.217,1144 15.162,1145 1,1146 2.973,1147 28.28,1148 2.298,1149 17.014,1150 22.422,1152 34.48,1153 16.168,1154 2841,1155 4270,1156 13.523,1157 23.983,1158 30.656,1159 30.228,1160 30.952,1161 30.236,1162 30.285,1163 42.16,1165 86.633,1166 29.003,1167 5.192,1168 5.081,1169 6.056,1170 5.091,1171 5.063,1172 7.438,1174 16.495,1175 4.859,1176 7.322,1177 1.533,1178 1.511,1179 1.548,1180 1.512,1181 1.514,1182 2.108,1184 4.332,1185 1.45,1186 4.082,1187 4.097,1188 4.329,1189 4.079,1190 4.989,1191 4.035,1192 3.89,1193 3.92,1194 3.834,1195 3.843,1196 4.693,1197 3.831,1198 3.517,1199 3.579,1200 3.469,1201 3.422,1202 4.278,1203 3.394,1204 3.235,1205 3.276,1206 3.266,1207 3.193,1208 4.08,1209 3.131,1210 2.884,1211 3.009,1212 2.855,1213 2.791,1214 3.714,1215 2.769,1216 2.874,1217 2.939,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.925,1224 2.551,1225 2.618,1226 3.467,1227 2.57,1228 2.671,1229 2.725,1230 2.499,1231 2.585,1232 3.374,1233 2.569,1234 0.225,1235 0.154,1236 0.319,1237 0.199,1238 0.153,1239 4.509,1240 0.222,1241 3.081,1243 6.373,1244 0.494,1245 3.988,1246 0.143,1247 3.063,1248 4.438,1250 9.886,1251 2.859,1252 1.948,1253 1.924,1254 2.069,1255 2.022,1256 1.259,1257 2.04,1258 1.898,1259 1.879,1260 1.98,1261 1.961,1262 1.101,1263 1.979,1264 1.558,1265 1.506,1266 1.795,1267 1.708,1268 0.94,1269 1.747,1270 1.182,1271 1.161,1272 1.417,1273 1.289,1274 0.469,1275 1.312,1276 0.934,1277 0.884,1278 1.231,1279 1.239,1280 0.417,1281 1.308,1282 0.917,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.804,1290 1.05,1291 1.003,1292 0.184,1293 1.051,1294 0.784,1295 0.726,1296 0.993,1297 0.934,1298 0.152,1299 0.98,1300 3.714,1302 5.03,1303 2.398,1304 6.544,1305 4.727,1306 8.139,1307 6.843,1308 9.773,1310 4.43,1320 0.578,1326 21.896,1327 43.862,1328 96.814,1329 118.955,1330 138.955,1331 140.955,1332 140.955,1333 18.347,1334 6.548,1335 12.89,1336 41.13,1337 17,1338 12.097,1339 4.087,1340 3.17,1341 25.873,1342 52,1343 46,1344 0.254,1345 139.501,1346 226.61,1347 332.143,1348 5164,1350 12.535,1351 0.696,1352 0.632,1353 12.889,1354 11.368,1355 8.737,1356 0.437,1357 0.351,1358 6.254,1359 8.236,1360 5.922,1361 4.988,1362 9.145,1363 7.014,1364 7.955,1365 0.284,1366 0.207,1367 8.597,1368 5.794,1369 6.703,1370 0.181,1371 0.114,1372 7.525,1373 4.204,1374 5.447,1375 0.116,1376 0.063,1377 6.345,1378 2.977,1379 4.278,1380 0.074,1381 0.034,1382 5.042,1383 1.988,1384 0.391,1385 56.914,1386 0.272,1387 18.064,1388 0.713,1389 96,1390 210.506,1391 124.233,1392 237.023,1393 338.67,1394 224,1395 113,1396 244.56,1397 138.993,1398 269.723,1399 396.65,1400 255,1401 6.796}
{0 CHEMBL1351963,1 1.441,2 10,3 4.331,4 18.758,5 96.061,6 6.703,7 0.423,8 3.957,9 4.089,10 3.434,11 3.498,12 4.965,13 3.45,14 4.542,15 4.748,16 3.808,17 3.899,18 5.479,19 3.833,20 4.817,21 5.042,22 3.892,23 4.069,24 5.814,25 3.973,26 4.944,27 5.202,28 3.845,29 4.095,30 5.899,31 3.964,32 4.882,33 5.136,34 3.791,35 3.995,36 5.945,37 3.885,38 4.795,39 5.044,40 3.578,41 3.896,42 5.85,43 3.768,44 4.674,45 4.944,46 3.476,47 3.766,48 5.716,49 3.618,50 4.562,51 4.835,52 3.243,53 3.639,54 5.459,55 3.475,56 0.023,57 0.758,58 11.158,59 4.851,60 5.844,61 6.668,62 0.124,63 1.25,64 21.11,65 7.845,66 15.912,67 11.271,68 0.378,69 1.58,70 28.705,71 10.106,72 38.744,73 14.41,74 0.292,75 1.655,76 32.758,77 12.239,78 41.292,79 17.137,80 0.364,81 1.545,82 31.357,83 10.952,84 59.951,85 15.038,86 0.408,87 1.427,88 29.184,89 10.125,90 72.935,91 13.546,92 0.359,93 1.165,94 25.209,95 8.703,96 67.499,97 12.704,98 0.339,99 1.062,100 22.763,101 7.759,102 44.862,103 11.171,104 26,105 37,106 0.246,107 0.55,108 0.758,109 0.806,110 0.834,111 0.834,112 3.229,113 1,114 -4.88,115 -4.79,116 -4.49,120 40.8,121 3,122 2,123 1,126 3,143 5,144 1,145 2,153 2,158 1,174 7,177 8,185 7,188 1,189 5,197 3,200 1,201 4,209 5,213 1,214 4,222 10,227 3,235 7,240 6,247 4,252 4,260 4,264 2,271 4,274 796,275 15.845,276 15.845,277 15.845,278 15.845,279 15.845,280 14.285,281 16.069,282 9.198,283 16.081,284 12.779,285 12.779,286 12.779,287 12.779,288 12.779,289 10.455,290 14.555,291 4.347,292 13.188,293 4.174,294 2.401,295 1.181,296 0.903,297 0.74,298 0.74,299 3.903,306 1,307 1,308 510,309 2.828,312 68.31,313 166.349,320 1.5,321 24.776,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 51.5,333 240,334 4.653,335 3.694,336 6.971,337 4.252,338 3.294,339 4.399,340 1.408,341 11.731,342 3.168,343 4.125,344 3.363,345 6.243,346 3.769,347 2.791,348 3.693,349 0.744,350 9.156,351 2.718,352 3.729,353 2.886,354 5.605,355 3.55,356 2.59,357 2.994,359 7.381,360 2.491,361 3.512,362 2.768,363 5.376,364 3.266,365 2.28,366 2.571,368 6.636,369 2.234,370 3.098,371 2.177,372 4.928,373 2.958,374 2.002,375 2.197,377 5.687,378 1.904,379 2.991,380 2.09,381 4.763,382 2.651,383 1.669,384 2.113,386 4.694,387 1.633,388 2.867,389 1.88,390 4.338,391 2.411,392 1.414,393 2.01,395 3.8,396 1.407,397 2.804,398 1.539,399 3.893,400 2.373,401 1.408,402 1.857,404 3.016,405 1.339,406 2.385,407 1.147,408 3.591,409 1.984,410 1,411 1.285,413 2.505,414 0.983,415 2,416 1.077,417 3.414,418 1.9,419 0.904,420 1,422 2.275,423 0.897,424 1.27,425 0.735,426 2.921,427 1.095,428 0.121,429 0.13,431 0.279,432 0.116,433 1.205,434 0.516,435 2.613,436 0.974,442 0.818,443 0.054,444 2.289,445 0.454,446 -0.467,447 -0.563,449 -1.068,450 -0.42,451 0.579,452 -0.153,453 2,454 0.356,455 -0.651,456 -0.706,458 -1.596,459 -0.645,460 0.525,461 -0.461,462 2,463 0.218,464 -0.813,465 -1,467 -2.024,468 -0.837,469 11.419,470 0.476,471 0.703,472 0.029,473 26.5,474 1.104,475 11.5,476 0.479,477 15,478 0.625,479 23.559,480 0.982,481 26.981,482 0.551,483 18.661,484 0.778,485 5.043,486 0.21,487 6.426,488 0.268,489 0.186,491 0.377,494 1,496 0.581,497 1.26,498 0.853,499 1.194,500 0.509,501 1.09,502 0.73,503 1.09,504 0.832,505 0.992,506 0.506,507 0.929,508 0.957,509 0.977,510 1.048,511 1.01,512 0.841,513 1.029,514 0.846,515 1.059,516 0.921,517 1.075,518 0.887,519 1.024,520 1.274,521 0.971,522 0.989,523 0.938,524 1.365,525 0.926,526 1.728,527 1.075,528 1.262,529 1.011,530 1.904,531 1.059,532 0.712,533 0.899,534 0.947,535 1.008,536 0.632,537 1.009,538 1.072,539 0.832,540 1.11,541 0.956,542 1.14,543 1.027,544 5,545 0.058,546 3.111,547 2.417,548 1.819,549 0.785,550 0.618,551 0.313,552 0.231,553 0.12,554 6043,555 13388,556 2.015,557 51,558 4,559 11,563 6,564 4,567 1.67,568 1.846,569 3.27,570 -0.823,572 1,575 70.586,576 1.441,577 3.214,578 4.434,579 4.711,580 4.875,581 4.875,582 2.752,583 4.335,584 4.555,585 3.412,586 941.597,587 7.866,588 10871.1,590 1,592 1,593 275.121,594 1.528,595 4.493,596 0.192,597 0.005,598 0.084,599 0.064,600 0.052,601 0.024,602 0.024,603 0.014,604 0.013,605 0.008,606 0.478,607 0.5,608 1,609 0.663,610 113.415,611 0.01,612 -0.159,613 0.055,614 -0.061,615 -0.016,616 -0.011,617 -0.005,618 -0.075,619 0.114,620 0.029,621 0.048,622 0.081,623 0.018,624 0.055,625 -0.068,626 -0.023,627 0.025,628 -0.052,629 0.051,630 -0.113,631 0.045,632 -0.083,633 0.032,634 -0.032,635 -0.065,636 -0.017,637 0.022,638 0.023,639 -0.047,640 0.032,641 -0.23,642 0.033,643 -0.216,644 -0.029,645 -0.24,646 -0.104,647 0.14,648 -0.054,649 0.017,650 -0.062,651 0.213,652 -0.044,653 -0.047,654 0.073,655 -0.125,656 -0.011,657 -0.088,658 -0.071,659 1.941,660 6.141,661 0.708,662 19.597,663 0.993,664 1.133,665 3.648,666 13.308,667 0.644,668 3.296,669 3.638,670 3.912,671 4.174,672 4.344,673 4.29,674 4.369,675 4.419,676 4.407,677 4.407,678 5.775,679 0.601,680 328.47,681 3.296,682 4.844,683 5.7,684 6.589,685 7.466,686 8.359,687 9.245,688 10.141,689 11.034,690 11.933,691 4.1,694 1,699 1,709 5,714 5,715 1,716 11,721 1,737 1,738 49,739 12,740 1,741 26,743 51,744 20,745 10,746 2,747 4,748 1,752 3,753 3,759 3,763 2,764 1,766 2,768 11,769 9,770 1,772 1,778 1,782 1,786 1,787 1,789 25,790 3,792 4,797 2,803 1,804 1,818 1,822 1,823 2,851 1,855 3,859 3,861 1,862 24,869 5,874 1,875 1,885 1,886 2,889 1,893 13,894 9.71,895 5.25,896 3.173,898 2.059,899 1.299,900 0.966,901 4.981,902 8.949,903 3.512,904 4.09,905 4.646,906 5.212,907 5.618,908 5.818,909 6.145,910 6.422,911 6.592,912 6.757,913 0.857,914 38,915 8.978,917 3.829,918 7.743,919 17.399,921 14.521,924 2.243,925 53.833,927 1,928 1,929 294.278,930 110.953,931 5.023,933 25.145,934 14.96,936 110.953,937 319.422,938 19.984,939 26.476,940 11.386,941 47.381,942 30.278,943 20.087,944 20.474,945 294.278,947 294.278,948 115.977,949 40.105,952 262.153,953 72.229,956 42.885,957 73.092,960 309.238,961 30.168,962 110.953,965 294.278,966 37.096,967 78.88,969 40.105,970 294.278,971 45.128,972 110.953,973 0.59,974 0.351,975 0.19,976 0.103,977 18,978 9,979 0.078,980 4,982 1,983 3.523,984 195.033,986 17,987 106.039,993 17.07,994 7.003,995 3.529,997 43.229,998 8.57,1003 2.622,1004 1.834,1006 450.359,1007 32.5,1013 12.748,1017 0.125,1020 48.647,1021 55.528,1022 0.257,1023 0.572,1024 0.79,1025 0.839,1026 0.868,1027 0.868,1028 4.769,1029 1.408,1030 5.707,1031 3.8,1032 4.317,1033 4.775,1034 1.752,1035 6.547,1036 4.256,1037 5.974,1038 1,1039 7.291,1040 3.016,1041 4.007,1042 4.663,1043 0.325,1044 7.526,1045 3.899,1046 7.287,1047 0.904,1048 8.977,1049 2.505,1050 5.938,1051 6.938,1052 2.204,1053 10.66,1054 5.807,1055 8.637,1056 0.121,1057 10.722,1058 2.275,1059 6.431,1060 7.676,1061 0.393,1062 12.499,1063 6.25,1064 10.023,1066 12.507,1067 0.279,1068 7.871,1069 9.464,1070 2.792,1071 15.177,1072 7.665,1073 11.435,1074 -0.467,1075 14.321,1077 8.733,1078 10.596,1079 0.623,1080 17.377,1081 8.478,1082 12.87,1083 -0.651,1084 16.158,1085 -1.068,1086 9.99,1087 12.194,1088 3.429,1089 19.905,1090 9.706,1091 3.294,1092 -0.813,1093 18.011,1094 -1.596,1095 11.022,1096 13.508,1097 1.079,1098 22.255,1099 10.692,1100 2.791,1101 11.731,1102 19.879,1103 -2.024,1104 12.215,1105 15.028,1106 4.086,1107 24.733,1108 11.851,1109 2.59,1110 9.156,1111 21.759,1112 4.399,1113 13.325,1114 16.426,1115 1.711,1116 27.145,1117 12.917,1118 2.28,1119 7.381,1120 23.648,1121 3.693,1122 14.501,1123 17.916,1124 4.752,1125 29.609,1126 14.056,1127 2.002,1128 6.636,1129 25.545,1130 2.994,1131 15.648,1132 19.353,1133 2.439,1134 32.047,1135 15.16,1136 1.669,1137 5.687,1138 27.449,1139 2.571,1140 16.821,1141 20.833,1142 5.423,1143 34.507,1144 16.296,1145 1.414,1146 4.694,1147 29.358,1148 2.197,1149 17.987,1150 22.289,1151 3.205,1152 36.958,1153 17.419,1154 5937,1155 9000,1156 16.819,1157 31.54,1158 39.365,1159 40.775,1160 41.47,1161 39.012,1162 38.945,1163 48.496,1164 4.304,1165 114.32,1166 37.779,1167 5.653,1168 5.694,1169 6.656,1170 5.288,1171 5.294,1172 7.399,1173 2.802,1174 19.224,1175 5.168,1176 13.407,1177 1.514,1178 1.568,1179 1.595,1180 1.5,1181 1.498,1182 1.865,1183 0.166,1184 4.397,1185 1.453,1186 4.087,1187 4.123,1188 4.051,1189 3.974,1190 8.201,1191 3.988,1192 3.876,1193 3.938,1194 3.77,1195 3.745,1196 7.427,1197 3.742,1198 3.781,1199 3.813,1200 3.702,1201 3.696,1202 4.792,1203 3.691,1204 3.442,1205 3.502,1206 3.326,1207 3.25,1208 4.53,1209 3.26,1210 3.201,1211 3.295,1212 2.985,1213 3.028,1214 4.343,1215 3.002,1216 3.114,1217 3.206,1218 2.915,1219 2.941,1220 3.887,1221 2.91,1222 3.111,1223 3.193,1224 2.866,1225 2.897,1226 3.856,1227 2.889,1228 2.906,1229 2.969,1230 2.831,1231 2.733,1232 3.63,1233 2.737,1234 0.179,1235 0.142,1236 0.268,1237 0.164,1238 0.127,1239 4.653,1240 0.169,1241 3.694,1242 0.054,1243 6.971,1244 0.451,1245 4.252,1246 0.122,1247 3.294,1248 4.399,1249 1.408,1250 11.731,1251 3.168,1252 1.909,1253 1.879,1254 2.078,1255 2.043,1256 1.438,1257 2.056,1258 1.865,1259 1.807,1260 2.004,1261 2.024,1262 1.114,1263 2.019,1264 1.668,1265 1.643,1266 1.819,1267 1.795,1268 0.994,1269 1.802,1270 1.542,1271 1.485,1272 1.756,1273 1.715,1274 0.852,1275 1.731,1276 1.336,1277 1.258,1278 1.639,1279 1.564,1280 0.825,1281 1.596,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.82,1287 1.429,1288 1.091,1289 1.004,1290 1.458,1291 1.356,1292 0.601,1293 1.393,1294 0.874,1295 0.808,1296 1.216,1297 1.102,1298 0.337,1299 1.143,1300 3.97,1302 5.303,1303 2.398,1304 6.828,1305 4.844,1306 8.438,1307 7.018,1308 10.092,1310 6.074,1312 14.141,1315 4.731,1320 0.752,1321 2.234,1326 29.463,1327 70.586,1328 157.463,1329 217.246,1330 230.856,1331 238.856,1332 238.856,1333 49.489,1334 6.89,1335 25.24,1336 25.24,1337 17,1338 12.457,1339 3.7,1340 2.907,1341 39.258,1342 82,1343 92,1344 0.237,1345 181.656,1346 316.7,1347 435,1348 8094,1349 2,1350 17.267,1351 0.719,1352 0.612,1353 16.397,1354 14.68,1355 11.469,1356 0.441,1357 0.333,1358 8.571,1359 11.091,1360 8.24,1361 6.88,1362 11.059,1363 8.665,1364 10.578,1365 0.286,1366 0.188,1367 10.05,1368 6.953,1369 8.827,1370 0.18,1371 0.103,1372 8.349,1373 5.068,1374 7.349,1375 0.115,1376 0.056,1377 7.034,1378 3.557,1379 5.783,1380 0.076,1381 0.033,1382 5.396,1383 2.517,1384 0.367,1385 71.371,1386 0.244,1387 23.297,1388 0.665,1389 126,1390 365.137,1391 137.097,1392 329.992,1393 444.87,1394 308,1395 149,1396 323.308,1397 160.799,1398 323.476,1399 474.75,1400 304,1401 6.796}
{0 CHEMBL1352208,1 1.555,2 13.394,3 5.326,4 28.369,5 135.718,6 8.815,7 0.622,8 4.146,9 4.264,10 3.872,11 3.754,12 5.232,13 3.722,14 4.674,15 4.845,16 4.277,17 4.156,18 5.717,19 4.103,20 4.938,21 5.135,22 4.449,23 4.325,24 5.94,25 4.246,26 5.015,27 5.23,28 4.412,29 4.328,30 6.05,31 4.228,32 5.012,33 5.229,34 4.335,35 4.303,36 6.061,37 4.197,38 4.955,39 5.181,40 4.179,41 4.243,42 5.917,43 4.119,44 4.898,45 5.146,46 4.248,47 4.165,48 5.827,49 4.041,50 4.75,51 4.967,52 4.19,53 4.062,54 5.803,55 3.964,56 0.016,57 0.839,58 9,59 4.83,60 7.333,61 6.225,62 0.227,63 1.406,64 19.591,65 8.185,66 19.778,67 10.665,68 0.252,69 1.752,70 33.528,71 11.37,72 28.244,73 14.686,74 0.349,75 1.846,76 40.502,77 12.689,78 46.948,79 16.148,80 0.404,81 1.793,82 48.912,83 13.379,84 54.224,85 16.634,86 0.311,87 1.682,88 31.557,89 12.453,90 43.839,91 16.449,92 0.268,93 1.572,94 38.794,95 12.287,96 37.422,97 16.332,98 0.304,99 1.361,100 31.927,101 9.983,102 47.757,103 12.255,104 10,105 52,106 0.251,107 0.566,108 0.707,109 0.812,110 0.842,111 0.871,112 3.532,113 0.953,114 -5.83,115 -5.69,116 -5.3,118 1,120 45.6,121 1,126 4,143 10,144 4,145 2,146 2,148 2,159 1,174 13,176 2,177 7,180 1,182 2,185 14,188 1,189 7,194 4,197 9,200 1,201 9,204 1,206 3,209 4,213 2,214 9,219 3,222 4,226 1,227 6,230 1,232 1,235 6,239 1,240 10,247 11,252 6,260 13,263 1,264 8,267 1,271 13,274 1975,275 22.637,276 22.637,277 22.637,278 22.637,279 22.637,280 19.735,281 25.184,282 13.357,283 23.137,284 18.269,285 18.269,286 18.269,287 18.269,288 18.269,289 13.968,290 35.636,291 6.33,292 19.142,293 4.278,294 2.321,295 1.451,296 0.798,297 0.61,298 0.434,299 4.242,308 975,309 3,313 486.07,317 145.446,320 2.369,321 22.757,324 0.5,325 0.67,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.72,332 69.25,333 442,334 4.649,335 3.622,336 6.862,337 4.216,338 3.236,339 4.579,340 1.058,341 11.434,342 3.18,343 4.249,344 3.276,345 6.288,346 3.849,347 2.91,348 3.889,349 0.8,350 9.41,351 2.728,352 4.089,353 3.129,354 6.133,355 3.778,356 2.847,357 3.551,358 0.8,359 9.01,360 2.641,361 3.969,362 3.052,363 6.051,364 3.615,365 2.659,366 3.39,368 8.675,369 2.531,370 3.613,371 2.638,372 5.509,373 3.263,374 2.285,375 2.938,377 6.893,378 2.219,379 3.433,380 2.366,381 4.969,382 3.052,383 2.075,384 2.754,386 5.811,387 2.007,388 3.229,389 2.008,390 4.711,391 2.849,392 1.891,393 2.421,395 4.89,396 1.809,397 3.004,398 1.881,399 4.447,400 2.525,401 1.567,402 2.161,404 4.248,405 1.5,406 2.907,407 1.819,408 4.248,409 2.504,410 1.553,411 2.027,413 3.892,414 1.461,415 2.806,416 1.656,417 4.029,418 2.301,419 1.345,420 1.926,422 3.373,423 1.227,424 2.748,425 1.28,426 3.596,427 2.226,428 1.254,429 1.848,431 2.839,432 1.173,433 2.5,434 1.215,435 3.574,436 2.085,437 1.126,438 1.5,440 2.679,441 1.077,442 2.476,443 1.146,444 3.473,445 1.967,446 1,447 1.464,449 2.275,450 0.965,451 2.199,452 1,453 3.414,454 1.958,455 1,456 1.079,458 2.136,459 0.955,460 2,461 0.912,462 3.247,463 1.765,464 0.788,465 1,467 2.041,468 0.766,469 16.667,470 0.505,471 0.747,472 0.023,473 46.75,474 1.417,475 25,476 0.758,477 21.75,478 0.659,479 28.699,480 0.87,481 33.133,482 0.581,483 34.167,484 1.035,485 9.012,486 0.273,487 7.085,488 0.215,489 0.13,491 0.318,496 0.756,497 1.318,498 0.502,499 0.882,500 0.576,501 0.864,502 0.874,503 1.026,504 0.588,505 0.782,506 0.584,507 0.837,508 1.043,509 1.135,510 0.834,511 0.967,512 0.849,513 0.965,514 1.194,515 1.066,516 0.985,517 0.991,518 1.098,519 1.003,520 1.236,521 0.979,522 1.18,523 1.108,524 1.344,525 1.05,526 0.998,527 1.034,528 0.546,529 0.935,530 1.264,531 1.049,532 0.818,533 0.957,534 0.81,535 0.901,536 0.805,537 0.887,538 1.647,539 0.937,540 0.983,541 0.826,542 2.005,543 0.859,544 5.5,545 0.173,546 4.222,547 2.25,548 1.773,549 1.035,550 0.905,551 0.491,552 0.365,553 0.285,554 16489,555 42913,556 2.15,557 42.1,558 3,559 18,561 2,562 1,567 1.752,568 2.041,569 3.676,570 -0.382,575 88.615,576 1.555,577 3.512,578 4.382,579 5.034,580 5.223,581 5.399,582 3.253,583 4.718,584 5.01,585 3.852,586 2033.74,587 8.776,588 30241.5,593 332.475,594 1.301,595 4.989,596 0.149,597 0.006,598 0.081,599 0.04,600 0.034,601 0.021,602 0.021,603 0.012,604 0.009,605 0.008,606 0.381,607 0.17,608 0.63,609 0.467,610 175.488,611 -0.019,612 -0.205,613 0.009,614 -0.047,615 -0.022,616 -0.003,617 0.06,618 0.087,619 0.021,620 0.066,621 0.061,622 0.041,623 -0.041,624 -0.082,625 0.003,626 -0.048,627 -0.002,628 -0.04,629 -0.054,630 -0.033,631 -0.037,632 -0.044,633 0.02,634 -0.062,635 -0.037,636 0.016,637 -0.089,638 -0.115,639 -0.004,640 -0.084,641 0.004,642 -0.069,643 0.015,644 -0.038,645 -0.08,646 -0.082,647 0.091,648 -0.008,649 0.083,650 0.078,651 0.083,652 0.124,653 -0.241,654 0.053,655 0.011,656 0.148,657 -0.241,658 0.096,659 1.838,660 6.154,661 0.848,662 39.574,663 0.998,664 1.117,665 4.596,666 21.127,667 0.71,668 3.638,669 3.97,670 4.277,671 4.554,672 4.82,673 4.883,674 5.069,675 5.198,676 5.357,677 5.493,678 7.627,679 0.669,680 502.45,681 3.638,682 5.187,683 6.052,684 6.936,685 7.816,686 8.706,687 9.593,688 10.485,689 11.376,690 12.271,691 8.8,697 2,698 1,701 2,708 2,709 12,710 2,714 6,716 23,723 1,732 2,737 1,738 57,739 24,740 2,741 37,742 1,743 61,744 26,745 20,746 5,747 7,748 1,752 5,753 6,759 1,768 21,769 5,772 1,778 1,782 1,789 24,790 6,791 1,792 7,793 1,797 5,803 0.8,804 1,816 2,823 5,827 1,855 4,858 1,859 1,862 33,869 4,871 1,875 2,885 1,886 1.8,889 1,893 16.167,894 10.61,895 7.194,896 3.443,898 3.902,899 1.472,900 1.029,901 6.298,902 12.166,903 3.922,904 4.538,905 5.149,906 5.743,907 6.314,908 6.526,909 6.925,910 7.276,911 7.672,912 7.932,913 1,914 56,915 12.201,917 5.206,918 7.598,919 23.612,921 19.618,924 2.098,925 69.25,929 270.735,930 156.795,931 103.785,933 25.145,936 202.749,937 295.88,938 57.83,939 8.825,940 26.434,941 94.762,942 86.963,943 41.672,944 4.656,945 247.193,946 45.954,947 270.735,948 214.625,949 25.145,951 45.954,952 270.735,953 25.145,956 53.354,957 127.701,958 33.571,959 45.954,960 270.735,961 82.975,962 202.749,965 270.735,966 35.112,967 127.931,968 63.965,969 58.716,970 270.735,971 82.975,972 202.749,973 0.582,974 0.348,975 0.193,976 0.107,977 26,978 11,979 0.066,980 4,981 1,982 1.071,983 4.423,984 315.109,985 0.071,986 28,987 158.465,993 21.875,994 9.501,995 4.591,996 1.884,997 82.975,998 23.379,999 9.217,1003 5.205,1005 18.011,1006 556.46,1007 49.5,1013 13.154,1017 -0.172,1020 56.901,1021 63.695,1022 0.267,1023 0.602,1024 0.751,1025 0.863,1026 0.895,1027 0.926,1028 5.158,1029 1.567,1030 6.033,1031 4.89,1032 4.654,1033 5.226,1034 1.641,1035 6.858,1036 4.564,1037 6.362,1038 1.553,1039 7.598,1040 4.248,1041 4.205,1042 4.987,1043 0.57,1044 7.789,1045 4.046,1046 7.669,1047 1.345,1048 9.267,1049 3.892,1050 6.256,1051 7.441,1052 1.488,1053 10.914,1054 6.086,1055 9.012,1056 1.254,1057 10.998,1058 3.373,1059 6.648,1060 8.062,1061 0.479,1062 12.696,1063 6.418,1064 10.389,1065 1.126,1066 12.769,1067 2.839,1068 8.15,1069 9.977,1070 1.47,1071 15.334,1072 7.906,1073 11.79,1074 1,1075 14.567,1076 2.679,1077 8.934,1078 11.026,1079 0.346,1080 17.463,1081 8.646,1082 13.212,1083 1,1084 16.386,1085 2.275,1086 10.212,1087 12.707,1088 1.501,1089 19.942,1090 9.907,1091 3.236,1092 0.788,1093 18.219,1094 2.136,1095 11.183,1096 13.981,1097 0.237,1098 22.224,1099 10.847,1100 2.91,1101 11.434,1102 20.063,1103 2.041,1104 12.369,1105 15.558,1106 1.556,1107 24.653,1108 12.017,1109 2.847,1110 9.41,1111 21.917,1112 4.579,1113 13.429,1114 16.948,1115 0.158,1116 27.006,1117 13.056,1118 2.659,1119 9.01,1120 23.778,1121 3.889,1122 14.582,1123 18.481,1124 1.626,1125 29.423,1126 14.195,1127 2.285,1128 8.675,1129 25.645,1130 3.551,1131 15.684,1132 19.932,1133 0.104,1134 31.813,1135 15.284,1136 2.075,1137 6.893,1138 27.518,1139 3.39,1140 16.828,1141 21.449,1142 1.706,1143 34.231,1144 16.416,1145 1.891,1146 5.811,1147 29.396,1148 2.938,1149 17.954,1150 22.931,1151 0.068,1152 36.64,1153 17.531,1154 15301,1155 24848,1156 25.255,1157 40.449,1158 56.072,1159 56.832,1160 57.092,1161 55.797,1162 55.621,1163 73.729,1164 5.317,1165 160.495,1166 52.937,1167 5.649,1168 5.622,1169 6.664,1170 5.283,1171 5.236,1172 7.579,1173 2.117,1174 18.976,1175 5.18,1176 13.385,1177 1.515,1178 1.536,1179 1.543,1180 1.508,1181 1.503,1182 1.993,1183 0.144,1184 4.338,1185 1.431,1186 4.111,1187 4.14,1188 6.88,1189 4.038,1190 7.429,1191 4.043,1192 3.919,1193 3.956,1194 4.073,1195 3.881,1196 4.956,1197 3.864,1198 3.905,1199 3.945,1200 3.841,1201 3.768,1202 4.888,1203 3.779,1204 3.681,1205 3.744,1206 3.778,1207 3.518,1208 4.746,1209 3.523,1210 3.504,1211 3.54,1212 3.573,1213 3.364,1214 4.466,1215 3.376,1216 3.285,1217 3.352,1218 3.439,1219 3.115,1220 4.242,1221 3.115,1222 3.123,1223 3.206,1224 3.2,1225 2.996,1226 4.023,1227 2.984,1228 3.111,1229 3.184,1230 2.97,1231 2.941,1232 3.844,1233 2.91,1234 0.126,1235 0.098,1236 0.185,1237 0.114,1238 0.087,1239 4.649,1240 0.124,1241 3.622,1242 0.029,1243 6.862,1244 0.309,1245 4.216,1246 0.086,1247 3.236,1248 4.579,1249 1.058,1250 11.434,1251 3.18,1252 2.06,1253 2.039,1254 2.127,1255 2.152,1256 1.325,1257 2.145,1258 1.907,1259 1.884,1260 1.998,1261 2.023,1262 1.212,1263 2.019,1264 1.854,1265 1.807,1266 1.988,1267 1.979,1268 1.137,1269 1.993,1270 1.658,1271 1.594,1272 1.854,1273 1.836,1274 0.914,1275 1.846,1276 1.456,1277 1.421,1278 1.601,1279 1.633,1280 0.825,1281 1.624,1282 1.242,1283 1.177,1284 1.513,1285 1.461,1286 0.646,1287 1.473,1288 1.153,1289 1.064,1290 1.499,1291 1.376,1292 0.574,1293 1.429,1294 1.095,1295 1.045,1296 1.273,1297 1.304,1298 0.43,1299 1.306,1300 4.317,1302 5.645,1304 7.183,1306 8.813,1308 10.491,1309 3.538,1310 2.017,1315 3.429,1317 3.016,1321 4.583,1326 38.115,1327 88.615,1328 200.182,1329 249.746,1330 286.965,1331 297.72,1332 307.72,1333 48.866,1334 8.264,1335 61.36,1336 61.36,1337 30,1338 12.798,1339 4.644,1340 3.755,1341 47.897,1342 149,1343 159,1344 0.155,1345 237.957,1346 404.35,1347 572.375,1348 48577,1349 1.8,1350 22.786,1351 0.69,1352 0.604,1353 23.786,1354 19.918,1355 16.097,1356 0.435,1357 0.318,1358 10.89,1359 15.101,1360 10.575,1361 8.736,1362 16.675,1363 11.755,1364 14.459,1365 0.278,1366 0.173,1367 15.2,1368 8.995,1369 12.561,1370 0.177,1371 0.093,1372 13.268,1373 6.6,1374 10.737,1375 0.114,1376 0.051,1377 11.442,1378 4.802,1379 8.977,1380 0.073,1381 0.026,1382 9.406,1383 3.228,1384 0.245,1385 107.999,1386 0.199,1387 30.823,1388 0.421,1389 178,1390 469.303,1391 256.521,1392 500.877,1393 688.22,1394 470,1395 212,1396 491.187,1397 260.897,1398 513.863,1399 755.43,1400 485,1401 5.062}
{0 CHEMBL1352313,1 1.69,2 12.212,3 5.129,4 26.304,5 126.77,6 8.765,7 0.486,8 4.066,9 4.149,10 3.791,11 3.676,12 5.347,13 3.651,14 4.539,15 4.654,16 4.166,17 4.028,18 5.922,19 3.989,20 4.744,21 4.889,22 4.233,23 4.107,24 6.059,25 4.066,26 4.794,27 4.927,28 4.302,29 4.116,30 6.271,31 4.076,32 4.762,33 4.892,34 4.288,35 4.147,36 6.108,37 4.094,38 4.798,39 4.911,40 4.304,41 4.17,42 6.267,43 4.14,44 4.867,45 4.996,46 4.217,47 4.2,48 6.218,49 4.134,50 4.901,51 5.07,52 4.13,53 4.137,54 6.255,55 4.06,56 0.187,57 0.699,58 8.019,59 4.917,60 11.966,61 5.291,62 0.442,63 1.09,64 16.525,65 8.244,66 65.795,67 9.03,68 0.494,69 1.334,70 24.75,71 10.265,72 58.115,73 10.685,74 0.821,75 1.35,76 25.259,77 10.442,78 125.422,79 10.279,80 0.594,81 1.349,82 30.627,83 11.559,84 88.046,85 11.06,86 0.651,87 1.329,88 24.404,89 10.935,90 105.475,91 10.559,92 0.744,93 1.448,94 29.495,95 12.132,96 113.209,97 11.764,98 0.824,99 1.494,100 31.815,101 12.581,102 110.943,103 14.139,104 61,105 48,106 0.276,107 0.609,108 0.747,109 0.824,110 0.845,111 0.845,112 3.532,113 0.923,114 -4.49,115 -4.41,116 -4.16,120 45.3,121 2,126 1,136 1,137 1,143 10,144 2,145 2,153 1,154 1,158 2,159 1,167 2,174 11,176 2,177 8,182 4,185 14,189 12,194 3,197 11,200 2,201 11,204 1,206 2,209 11,214 13,217 1,219 1,222 10,226 1,227 16,232 1,235 13,240 7,243 2,245 1,247 16,251 5,252 6,257 2,260 11,263 6,264 9,269 3,271 7,274 2109,275 21.853,276 21.853,277 21.853,278 21.853,279 21.853,280 19.007,281 22.502,282 13.001,283 22.258,284 17.207,285 17.207,286 17.207,287 17.207,288 17.207,289 12.773,290 29.421,291 6.079,292 17.761,293 4.037,294 2.001,295 1.16,296 0.684,297 0.557,298 0.557,299 4.208,306 1,307 1,308 838,309 4.69,312 108.584,313 258.068,320 1.807,321 53.853,324 1,325 0.67,326 0.83,327 0.6,329 0.83,330 1,331 0.7,332 73,333 403,334 4.526,335 3.789,336 6.65,337 4.138,338 3.167,339 4.177,340 2.612,341 10.621,342 3.093,343 4.306,344 3.777,345 6.406,346 3.914,347 2.927,348 3.97,349 1.674,350 9.761,351 2.881,352 4.218,353 3.589,354 5.929,355 3.738,356 2.762,357 3.717,358 1.277,359 8.223,360 2.696,361 3.883,362 3.372,363 5.599,364 3.47,365 2.491,366 3.43,367 0.4,368 7.257,369 2.435,370 3.757,371 2.843,372 5.393,373 3.328,374 2.336,375 3.192,377 7.004,378 2.304,379 3.61,380 2.542,381 5.25,382 3.203,383 2.227,384 2.882,386 6.516,387 2.147,388 3.245,389 2.424,390 4.788,391 2.803,392 1.836,393 2.406,395 4.969,396 1.744,397 3.005,398 1.934,399 4.369,400 2.469,401 1.508,402 2.124,404 3.867,405 1.442,406 2.893,407 1.813,408 3.804,409 2.331,410 1.355,411 2.024,413 3.024,414 1.315,415 2.722,416 1.709,417 3.642,418 2.203,419 1.224,420 1.737,422 2.918,423 1.186,424 2.5,425 1.442,426 3.542,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1.392,435 3.425,436 2,437 1,438 1.5,440 2.185,441 1,442 2.373,443 1.153,444 3.414,445 1.919,446 0.935,447 1.218,449 2.136,450 0.903,451 2.242,452 1,453 3.247,454 1.735,455 0.775,456 1.028,458 1.636,459 0.721,460 2.057,461 1,462 2.911,463 1.487,464 0.47,465 0.733,467 1.08,468 0.466,469 15.633,470 0.474,471 0.877,472 0.027,473 45.5,474 1.379,475 25.5,476 0.773,477 20,478 0.606,479 26.701,480 0.809,481 34.767,482 0.656,483 39.838,484 1.207,485 9.214,486 0.279,487 6.581,488 0.199,489 0.171,491 0.345,496 0.506,497 0.976,498 0.673,499 0.878,500 0.526,501 0.854,502 0.601,503 1.072,504 0.743,505 0.96,506 0.492,507 0.899,508 0.965,509 1.119,510 0.998,511 1.079,512 0.82,513 0.952,514 1.132,515 0.947,516 0.997,517 0.94,518 1.197,519 0.924,520 1.056,521 1.013,522 1.371,523 1.28,524 1.071,525 0.963,526 1.204,527 1.032,528 1.076,529 1.067,530 1.097,531 0.986,532 1.213,533 1.083,534 1.403,535 1.224,536 1.263,537 1.17,538 0.761,539 1.154,540 1.164,541 1.245,542 0.83,543 1.195,544 7,545 0.193,546 3.778,547 2.507,548 2.113,549 1.459,550 0.868,551 0.737,552 0.632,553 0.342,554 14002,555 49633,556 1.976,557 37.7,559 13,562 1,563 3,564 3,567 1.758,568 1.817,569 3.557,570 -0.322,575 89.592,576 1.69,577 3.727,578 4.568,579 5.044,580 5.171,581 5.171,582 3.052,583 4.62,584 5.012,585 3.731,586 1969.87,587 8.815,588 29513.3,593 303.58,594 1.52,595 4.954,596 0.2,597 0.006,598 0.079,599 0.05,600 0.042,601 0.029,602 0.016,603 0.015,604 0.014,605 0.008,606 0.459,607 0.17,608 0.88,609 1.248,610 174.573,611 0.095,612 0.094,613 0.048,614 0.071,615 -0.033,616 0.028,617 0.146,618 -0.056,619 0.138,620 0.045,621 0.136,622 0.045,623 -0.099,624 -0.085,625 0.018,626 -0.045,627 -0.033,628 0.01,629 -0.03,630 0.072,631 0.038,632 0.085,633 -0.05,634 0.009,635 -0.099,636 0.034,637 -0.088,638 -0.065,639 -0.099,640 0.028,641 -0.131,642 -0.053,643 -0.085,644 -0.03,645 -0.035,646 -0.055,647 -0.185,648 -0.085,649 -0.32,650 -0.141,651 -0.2,652 -0.214,653 0.135,654 -0.186,655 -0.134,656 -0.221,657 0.046,658 -0.184,659 2.541,660 6.275,661 0.515,662 36.749,663 1.023,664 1.112,665 3.256,666 10.603,667 0.703,668 3.584,669 3.892,670 4.127,671 4.344,672 4.533,673 4.625,674 4.7,675 4.82,676 4.905,677 4.828,678 7.235,679 0.684,680 464.53,681 3.584,682 5.118,683 5.953,684 6.821,685 7.68,686 8.555,687 9.425,688 10.305,689 11.179,690 12.063,691 3.8,699 1,702 1,709 10,713 1,714 6,716 17,721 2,729 1,731 1,738 53,739 23,740 2,741 35,743 55,744 24,745 16,746 3,747 9,748 5,752 3,753 3,759 2,768 21,769 3,772 6,775 1,778 5,780 1,782 4,789 20,790 7,791 1,792 9,793 1,797 2,803 1,804 6,822 1,823 2,841 1,845 1,846 1,855 3,857 1,859 2,862 33,869 1,871 1,872 1,880 1,886 11.3,889 3,891 1,892 2,893 18.167,894 10.283,895 7.417,896 3.138,898 3.452,899 1.469,900 0.956,901 7.991,902 10.814,903 3.922,904 4.503,905 5.043,906 5.553,907 6.016,908 6.313,909 6.651,910 7.002,911 7.409,912 7.523,913 1,914 50,915 12.274,917 5.284,918 8.197,919 22.257,921 17.537,924 2.697,925 89,929 223.651,930 192.576,931 23.681,933 137.182,935 31.278,936 161.298,937 360.833,938 23.681,939 23.32,940 4.592,941 104.239,942 92.893,943 45.01,944 1.358,945 254.929,946 50.747,947 223.651,948 184.979,949 137.182,950 31.278,952 188.338,953 121.748,954 50.747,956 41.183,957 128.649,958 15.146,959 31.278,960 223.651,961 160.862,962 192.576,965 223.651,966 70.687,967 127.559,968 18.011,969 137.182,970 223.651,971 160.862,972 192.576,973 0.577,974 0.333,975 0.173,976 0.094,977 20,978 11,979 0.182,980 10,982 1,983 4.229,984 295.942,986 17,987 156.465,989 1,993 24.18,994 10.906,995 6.068,997 155.192,998 16.041,1002 1.052,1003 2.036,1005 18.011,1006 577.089,1007 49.5,1010 -0.541,1013 59.745,1015 1.321,1017 -1.911,1020 54.196,1021 58.91,1022 0.295,1023 0.651,1024 0.797,1025 0.881,1026 0.903,1027 0.903,1028 5.143,1029 1.508,1030 5.943,1031 4.969,1032 4.575,1033 5.19,1034 3.063,1035 6.742,1036 4.522,1037 6.364,1038 1.355,1039 7.503,1040 3.867,1041 4.205,1042 5.037,1043 2.361,1044 7.639,1045 4.149,1046 7.675,1047 1.224,1048 9.163,1049 3.024,1050 6.159,1051 7.37,1052 4.441,1053 10.719,1054 6.061,1055 9.022,1056 1,1057 10.882,1058 2.918,1059 6.594,1060 8.018,1061 4.506,1062 12.429,1063 6.49,1064 10.399,1065 1,1066 12.637,1067 2.275,1068 8.034,1069 9.828,1070 6.077,1071 15.03,1072 7.898,1073 11.797,1074 0.935,1075 14.417,1076 2.185,1077 8.827,1078 10.837,1079 6.556,1080 17.081,1081 8.677,1082 13.211,1083 0.775,1084 16.215,1085 2.136,1086 10.067,1087 12.429,1088 7.849,1089 19.515,1090 9.892,1091 3.167,1092 0.47,1093 18.026,1094 1.636,1095 11.029,1096 13.62,1097 8.548,1098 21.72,1099 10.835,1100 2.927,1101 10.621,1102 19.848,1103 1.08,1104 12.189,1105 15.112,1106 9.693,1107 24.093,1108 11.973,1109 2.762,1110 9.761,1111 21.679,1112 4.177,1113 13.233,1114 16.398,1115 10.509,1116 26.37,1117 12.995,1118 2.491,1119 8.223,1120 23.517,1121 3.97,1122 14.364,1123 17.843,1124 11.573,1125 28.722,1126 14.105,1127 2.336,1128 7.257,1129 25.361,1130 3.717,1131 15.449,1132 19.182,1133 12.452,1134 31.034,1135 15.166,1136 2.227,1137 7.004,1138 27.211,1139 3.43,1140 16.572,1141 20.604,1142 13.471,1143 33.38,1144 16.268,1145 1.836,1146 6.516,1147 29.064,1148 3.192,1149 17.678,1150 21.973,1151 14.386,1152 35.709,1153 17.351,1154 13906,1155 26373,1156 22.482,1157 37.239,1158 53.245,1159 56.03,1160 54.549,1161 52.074,1162 52.024,1163 71.277,1164 11.929,1165 146.946,1166 50.668,1167 5.409,1168 5.789,1169 6.452,1170 5.274,1171 5.167,1172 7.177,1173 4.612,1174 17.837,1175 5.093,1176 20.283,1177 1.521,1178 1.601,1179 1.559,1180 1.488,1181 1.486,1182 2.036,1183 0.341,1184 4.198,1185 1.448,1186 4.037,1187 4.052,1188 4.275,1189 4.003,1190 7.815,1191 3.967,1192 3.955,1193 3.976,1194 3.958,1195 3.876,1196 7.446,1197 3.869,1198 3.841,1199 3.858,1200 3.801,1201 3.793,1202 7.427,1203 3.776,1204 3.684,1205 3.692,1206 3.671,1207 3.494,1208 7.414,1209 3.524,1210 3.499,1211 3.546,1212 3.422,1213 3.263,1214 6.999,1215 3.26,1216 3.413,1217 3.439,1218 3.382,1219 3.186,1220 4.804,1221 3.185,1222 3.285,1223 3.326,1224 3.219,1225 2.987,1226 4.716,1227 3.057,1228 3.033,1229 3.087,1230 2.941,1231 2.828,1232 4.53,1233 2.845,1234 0.129,1235 0.108,1236 0.19,1237 0.118,1238 0.09,1239 4.526,1240 0.119,1241 3.789,1242 0.075,1243 6.65,1244 0.303,1245 4.138,1246 0.088,1247 3.167,1248 4.177,1249 2.612,1250 10.621,1251 3.093,1252 1.946,1253 1.926,1254 2.035,1255 2.088,1256 1.129,1257 2.057,1258 1.89,1259 1.859,1260 2.011,1261 1.986,1262 1.07,1263 1.998,1264 1.683,1265 1.676,1266 1.814,1267 1.859,1268 0.941,1269 1.825,1270 1.6,1271 1.589,1272 1.79,1273 1.776,1274 0.88,1275 1.775,1276 1.462,1277 1.407,1278 1.64,1279 1.701,1280 0.763,1281 1.693,1282 1.288,1283 1.278,1284 1.429,1285 1.572,1286 0.525,1287 1.513,1288 1.166,1289 1.107,1290 1.272,1291 1.382,1292 0.488,1293 1.404,1294 1.08,1295 1.056,1296 1.181,1297 1.323,1298 0.218,1299 1.322,1300 4.263,1302 5.572,1303 2.398,1304 7.064,1305 4.727,1306 8.636,1307 6.843,1308 10.251,1310 3.012,1315 0.063,1317 3.135,1318 5.047,1326 36.26,1327 89.592,1328 197.552,1329 242.096,1330 267.315,1331 274.07,1332 274.07,1333 104.026,1334 7.361,1335 118.29,1336 146.53,1337 17,1338 12.598,1339 4.585,1340 3.954,1341 63.856,1342 139,1343 150,1344 0.218,1345 229.447,1346 412.91,1347 551.611,1348 14598,1350 23.957,1351 0.726,1352 0.566,1353 24.311,1354 18.679,1355 15.795,1356 0.451,1357 0.308,1358 9.882,1359 14.69,1360 9.545,1361 7.953,1362 16.203,1363 10.763,1364 14.189,1365 0.296,1366 0.165,1367 14.831,1368 7.909,1369 11.337,1370 0.186,1371 0.091,1372 12.143,1373 5.571,1374 9.029,1375 0.119,1376 0.053,1377 10,1378 4.008,1379 6.874,1380 0.075,1381 0.029,1382 7.747,1383 2.627,1384 0.34,1385 103.799,1386 0.211,1387 30.576,1388 0.605,1389 166,1390 617.252,1391 210.485,1392 605.865,1393 795.19,1394 558,1395 192,1396 548.725,1397 232.893,1398 563.62,1399 817.07,1400 528,1401 5.5}
{0 CHEMBL1352521,1 1.641,2 9.217,3 4.378,4 19.169,5 90.839,6 9.154,7 0.654,8 3.695,9 3.77,10 3.455,11 3.366,12 4.907,13 3.344,14 4.151,15 4.247,16 3.86,17 3.719,18 5.418,19 3.702,20 4.368,21 4.52,22 3.895,23 3.832,24 5.532,25 3.776,26 4.367,27 4.523,28 3.83,29 3.758,30 5.617,31 3.69,32 4.286,33 4.45,34 3.784,35 3.687,36 5.526,37 3.599,38 4.093,39 4.239,40 3.666,41 3.532,42 5.394,43 3.443,44 3.98,45 4.145,46 3.387,47 3.377,48 5.184,49 3.296,50 3.9,51 4.064,52 3.265,53 3.28,54 5.099,55 3.187,56 0.032,57 0.443,58 5.37,59 2.976,60 5.294,61 3.106,62 0.191,63 0.742,64 8.233,65 4.316,66 16.622,67 4.756,68 0.159,69 0.923,70 13.243,71 6.356,72 17.952,73 6.948,74 0.297,75 0.932,76 15.273,77 6.706,78 32.396,79 6.956,80 0.312,81 0.89,82 16.741,83 6.716,84 31.194,85 6.679,86 0.186,87 0.736,88 15.545,89 5.952,90 34.148,91 5.491,92 0.165,93 0.634,94 11.007,95 4.676,96 23.392,97 4.728,98 0.173,99 0.567,100 10.709,101 4.524,102 22.589,103 4.491,104 5,105 37,106 0.293,107 0.576,108 0.701,109 0.826,110 0.875,111 0.875,112 3.189,113 0.87,114 -5.08,115 -4.98,116 -4.67,120 51.4,136 1,137 1,143 9,144 1,145 2,147 1,152 1,159 1,163 1,174 10,176 2,177 7,185 10,189 8,197 7,200 2,201 8,209 3,213 2,214 6,222 3,227 5,235 4,240 7,247 5,252 5,260 5,264 2,271 7,274 672,275 15.792,276 15.792,277 15.792,278 15.792,279 15.792,280 13.47,281 11.293,282 9.333,283 16.109,284 12.865,285 12.865,286 12.865,287 12.865,288 12.865,289 9.356,290 9.269,291 4.464,292 13.416,293 3.488,294 1.902,295 1.204,296 0.503,297 0.229,298 0.229,299 3.889,306 1,307 1,308 471,309 2,312 53.796,313 181.387,317 96.076,320 1.376,321 19.398,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49,333 212,334 4.543,335 3.883,336 6.626,337 4.134,338 3.179,339 4.221,340 1.674,341 10.626,342 3.052,343 4.322,344 3.715,345 6.391,346 3.9,347 2.959,348 3.93,350 9.787,351 2.772,352 3.962,353 2.877,354 6.027,355 3.568,356 2.586,357 3.465,359 8.589,360 2.534,361 3.631,362 2.768,363 5.21,364 3.145,365 2.185,366 3.077,368 6.231,369 2.082,370 3.219,371 2.492,372 4.863,373 2.784,374 1.835,375 2.389,377 5.226,378 1.722,379 2.969,380 1.819,381 4.478,382 2.514,383 1.532,384 2.141,386 4.264,387 1.503,388 2.878,389 1.675,390 4,391 2.408,392 1.448,393 2.039,395 3.383,396 1.39,397 2.82,398 1.487,399 3.618,400 2.347,401 1.381,402 1.93,404 2.994,405 1.31,406 2.5,407 1.14,408 3.587,409 2,410 1,411 1.5,413 2.333,414 1,415 2.416,416 1,417 3.451,418 1.832,419 0.88,420 1.293,422 2.136,423 0.829,424 2.289,425 0.807,426 3.247,427 1.698,428 0.737,429 1.113,431 1.983,432 0.705,433 1.327,434 0.731,435 2.701,436 0.875,437 -0.128,438 -0.173,440 -0.307,441 -0.125,442 0.827,443 0.294,444 2.604,445 0.486,446 -0.47,447 -0.571,449 -1.222,450 -0.428,451 0.802,452 -0.248,453 2.414,454 0.403,455 -0.51,456 -0.638,458 -1.312,459 -0.465,460 0.511,461 -0.513,462 2,463 0.035,464 -0.869,465 -1.138,467 -1.997,468 -0.785,469 11.3,470 0.491,471 0.538,472 0.023,473 35,474 1.522,475 20,476 0.87,477 15,478 0.652,479 14.048,480 0.611,481 22.3,482 0.637,483 23.876,484 1.038,485 7.033,486 0.306,487 4.187,488 0.182,489 0.103,491 0.345,496 0.741,497 1.116,498 0.769,499 0.93,500 0.624,501 0.8,502 0.636,503 1.157,504 0.628,505 0.937,506 0.51,507 0.903,508 1.012,509 0.993,510 0.773,511 0.857,512 0.755,513 0.896,514 1.183,515 1.025,516 0.98,517 0.95,518 1.072,519 0.983,520 1.218,521 0.931,522 1.168,523 0.965,524 1.419,525 0.901,526 1.108,527 1.214,528 1.398,529 1.389,530 1.362,531 1.087,532 1.328,533 0.956,534 1.088,535 0.957,536 1.354,537 0.987,538 1.496,539 0.861,540 1.164,541 0.969,542 1.432,543 1.009,544 4,545 0.021,546 2.667,547 1.632,548 1.518,549 0.9,550 0.385,551 0.29,552 0.167,553 0.077,554 5747,555 16562,556 2.168,557 34.3,559 10,560 1,562 1,567 1.659,568 2.06,569 3.204,570 -0.326,572 1,575 57.447,576 1.641,577 3.227,578 3.925,579 4.626,580 4.901,581 4.901,582 2.682,583 4.263,584 4.496,585 3.3,586 834.815,587 7.748,588 9196.44,590 1,592 1,593 179.525,594 1.302,595 4.469,596 0.154,597 0.003,598 0.072,599 0.044,600 0.046,601 0.03,602 0.015,603 0.014,604 0.009,605 0.006,606 0.393,607 0.33,608 1,609 0.503,610 106.209,611 -0.039,612 -0.176,613 -0.063,614 -0.115,615 -0.104,616 -0.03,617 0.246,618 -0.187,619 0.031,620 -0.169,621 0.12,622 -0.127,623 -0.08,624 -0.014,625 0.055,626 0.02,627 0.003,628 0.015,629 -0.001,630 -0.023,631 -0.032,632 -0.005,633 0.03,634 -0.053,635 -0.012,636 0.121,637 -0.008,638 0.108,639 -0.084,640 0.071,641 -0.052,642 -0.167,643 -0.085,644 -0.223,645 -0.017,646 -0.112,647 -0.207,648 0.045,649 -0.097,650 0.019,651 -0.14,652 -0.029,653 -0.246,654 0.098,655 -0.119,656 0.052,657 -0.133,658 -0.023,659 2.074,660 5.25,661 0.913,662 17.425,663 1.01,664 1.097,665 3.853,666 14.849,667 0.754,668 3.296,669 3.638,670 3.951,671 4.248,672 4.489,673 4.564,674 4.7,675 4.812,676 4.92,677 4.905,678 5.389,679 0.723,680 320.39,681 3.296,682 4.844,683 5.714,684 6.605,685 7.493,686 8.39,687 9.285,688 10.185,689 11.083,690 11.985,691 5.7,699 1,701 1,709 10,710 1,714 5,715 1,716 17,738 35,739 19,740 2,741 26,743 38,744 18,745 15,746 3,747 9,748 3,752 4,753 5,768 18,772 2,778 1,780 1,782 2,786 1,789 12,790 3,792 5,793 1,794 1,797 2,803 0.75,804 2,822 1,823 3,827 1,841 1,845 1,846 1,855 3,857 1,862 23,870 1,872 1,886 5.7,889 1,891 1,893 11.167,894 6.35,895 4.972,896 1.99,898 3.614,899 1.492,900 1.036,901 3.467,902 10.955,903 3.624,904 4.252,905 4.878,906 5.481,907 6.005,908 6.306,909 6.734,910 7.148,911 7.535,912 7.81,913 1,914 37,915 8.46,917 3.675,918 7.778,919 15.954,921 13.176,924 2.278,925 52.389,929 140.301,930 167.386,931 18.685,933 36.145,935 38.564,936 128.822,937 176.445,938 18.685,941 103.81,942 59.94,943 30.72,944 11.771,945 156.275,947 140.301,948 147.507,949 36.145,950 38.564,952 140.301,953 36.145,956 5.349,957 115.896,958 26.262,959 38.564,960 140.301,961 54.829,962 167.386,965 140.301,966 25.012,967 105.709,969 91.494,970 140.301,971 54.829,972 167.386,973 0.584,974 0.349,975 0.198,976 0.11,977 20,978 8,979 0.053,980 2,981 1,982 1.095,983 3.55,984 193.375,985 0.095,986 21,987 100.042,988 1,993 14.158,994 5.633,995 2.553,997 52.93,998 18.918,999 4.392,1003 3.408,1004 1.826,1006 362.516,1007 36.5,1013 12.25,1015 1.798,1017 0.017,1020 35.353,1021 38.411,1022 0.32,1023 0.629,1024 0.765,1025 0.902,1026 0.955,1027 0.955,1028 4.854,1029 1.381,1030 5.7,1031 3.383,1032 4.317,1033 4.938,1034 1.888,1035 6.535,1036 4.234,1037 6.076,1038 1,1039 7.27,1040 2.994,1041 3.892,1042 4.663,1044 7.455,1045 3.741,1046 7.39,1047 0.88,1048 8.943,1049 2.333,1050 5.927,1051 7.143,1052 2.817,1053 10.589,1054 5.757,1055 8.741,1056 0.737,1057 10.675,1058 2.136,1059 6.347,1060 7.713,1062 12.343,1063 6.105,1064 10.124,1065 -0.128,1066 12.446,1067 1.983,1068 7.84,1069 9.623,1070 3.808,1071 14.971,1072 7.578,1073 11.531,1074 -0.47,1075 14.243,1076 -0.307,1077 8.648,1078 10.602,1080 17.054,1081 8.317,1082 12.957,1083 -0.51,1084 16.058,1085 -1.222,1086 9.921,1087 12.256,1088 4.825,1089 19.501,1090 9.565,1091 3.179,1092 -0.869,1093 17.885,1094 -1.312,1095 10.907,1096 13.443,1098 21.725,1099 10.489,1100 2.959,1101 10.626,1102 19.722,1103 -1.997,1104 12.091,1105 14.974,1106 5.851,1107 24.103,1108 11.641,1109 2.586,1110 9.787,1111 21.566,1112 4.221,1113 13.158,1114 16.271,1116 26.39,1117 12.652,1118 2.185,1119 8.589,1120 23.416,1121 3.93,1122 14.309,1123 17.744,1124 6.88,1125 28.743,1126 13.766,1127 1.835,1128 6.231,1129 25.269,1130 3.465,1131 15.413,1132 19.098,1134 31.058,1135 14.821,1136 1.532,1137 5.226,1138 27.127,1139 3.077,1140 16.552,1141 20.543,1142 7.91,1143 33.404,1144 15.921,1145 1.448,1146 4.264,1147 28.987,1148 2.389,1149 17.674,1150 21.93,1152 35.734,1153 16.997,1154 5380,1155 9276,1156 17.8,1157 26.375,1158 40.215,1159 41.908,1160 40.379,1161 39.506,1162 39.442,1163 54.196,1164 3.349,1165 115.104,1166 37.799,1167 5.431,1168 5.883,1169 6.428,1170 5.224,1171 5.179,1172 7.221,1173 3.349,1174 17.617,1175 5.052,1176 8.061,1177 1.547,1178 1.612,1179 1.553,1180 1.519,1181 1.517,1182 2.084,1183 0.129,1184 4.427,1185 1.454,1186 4.062,1187 4.093,1188 4.088,1189 3.96,1190 7.433,1191 3.968,1192 3.926,1193 3.949,1194 3.897,1195 3.848,1196 4.995,1197 3.849,1198 3.718,1199 3.755,1200 3.712,1201 3.627,1202 4.823,1203 3.625,1204 3.406,1205 3.42,1206 3.449,1207 3.272,1208 4.674,1209 3.272,1210 2.971,1211 2.996,1212 3.143,1213 2.788,1214 4.216,1215 2.803,1216 2.854,1217 2.925,1218 2.876,1219 2.735,1220 4.025,1221 2.715,1222 2.793,1223 2.85,1224 2.691,1225 2.713,1226 3.832,1227 2.675,1228 2.715,1229 2.735,1230 2.687,1231 2.678,1232 3.674,1233 2.587,1234 0.175,1235 0.149,1236 0.255,1237 0.159,1238 0.122,1239 4.543,1240 0.162,1241 3.883,1242 0.064,1243 6.626,1244 0.409,1245 4.134,1246 0.117,1247 3.179,1248 4.221,1249 1.674,1250 10.626,1251 3.052,1252 1.946,1253 1.932,1254 2.034,1255 2.041,1256 1.135,1257 2.036,1258 1.903,1259 1.872,1260 2.015,1261 2.003,1262 1.09,1263 2.008,1264 1.564,1265 1.541,1266 1.662,1267 1.682,1268 0.762,1269 1.677,1270 1.325,1271 1.281,1272 1.393,1273 1.517,1274 0.497,1275 1.506,1276 1.058,1277 1.031,1278 1.181,1279 1.278,1280 0.218,1281 1.241,1282 0.912,1283 0.875,1284 1.156,1285 1.108,1286 0.212,1287 1.124,1288 0.886,1289 0.821,1290 1.121,1291 1.062,1292 0.165,1293 1.107,1294 0.699,1295 0.653,1296 0.921,1297 0.871,1298 0.004,1299 0.905,1300 3.97,1302 5.303,1303 2.398,1304 6.841,1305 4.727,1306 8.468,1307 6.823,1308 10.142,1316 4.407,1318 5.372,1326 25.294,1327 57.447,1328 112.942,1329 137.386,1330 161.915,1331 171.525,1332 171.525,1333 29.454,1334 7.341,1335 48.03,1336 86.83,1337 23,1338 12.506,1339 4.322,1340 3.524,1341 31.814,1342 74,1343 71,1344 0.214,1345 157.297,1346 269.51,1347 375.565,1348 14595,1350 15.811,1351 0.687,1352 0.561,1353 16.311,1354 12.903,1355 11.22,1356 0.432,1357 0.29,1358 7.052,1359 10.645,1360 6.887,1361 5.697,1362 11.509,1363 7.54,1364 10.188,1365 0.275,1366 0.149,1367 10.559,1368 5.517,1369 8.888,1370 0.174,1371 0.078,1372 9.22,1373 3.955,1374 7.696,1375 0.112,1376 0.041,1377 8.051,1378 2.8,1379 6.314,1380 0.072,1381 0.021,1382 6.633,1383 1.882,1384 0.328,1385 72.548,1386 0.237,1387 22.302,1388 0.609,1389 126,1390 376.859,1391 151.313,1392 383.368,1393 530.18,1394 358,1395 151,1396 394.075,1397 172.691,1398 404.965,1399 598.42,1400 382,1401 6.796}
{0 CHEMBL1352555,1 1.354,2 8.706,3 3.776,4 14.26,5 73.865,6 8.288,7 0.667,8 3.427,9 3.513,10 3.165,11 3.191,12 4.593,13 3.102,14 3.841,15 3.952,16 3.429,17 3.504,18 4.982,19 3.38,20 4.061,21 4.241,22 3.4,23 3.532,24 5.158,25 3.369,26 3.928,27 4.114,28 3.229,29 3.305,30 5.083,31 3.144,32 3.724,33 3.922,34 2.993,35 3.127,36 4.828,37 2.972,38 3.621,39 3.818,40 2.934,41 3.05,42 4.704,43 2.883,44 3.496,45 3.671,46 2.827,47 2.936,48 4.673,49 2.814,50 3.396,51 3.551,52 2.631,53 2.872,54 4.563,55 2.771,56 0.013,57 0.291,58 5.121,59 2.599,60 3.528,61 3.321,62 0.027,63 0.47,64 9.392,65 4.377,66 6.533,67 5.336,68 0.076,69 0.655,70 15.772,71 6.422,72 17.512,73 7.408,74 0.125,75 0.579,76 14.494,77 5.601,78 23.408,79 6.108,80 0.073,81 0.464,82 10.599,83 4.373,84 17.406,85 5.119,86 0.059,87 0.43,88 10.75,89 4.254,90 13.875,91 4.83,92 0.068,93 0.367,94 9.136,95 3.558,96 15.279,97 3.887,98 0.052,99 0.306,100 6.314,101 2.731,102 12.658,103 3.272,104 2,105 22,106 0.258,107 0.425,108 0.579,109 0.732,110 0.807,111 0.821,112 2.905,113 1.036,114 -5.26,115 -5.15,116 -4.81,120 51.7,136 1,138 1,143 10,144 1,145 1,158 1,174 10,177 2,185 14,189 2,197 9,201 3,209 6,214 1,222 5,227 2,235 5,240 2,247 7,252 1,260 9,271 8,274 310,275 11.742,276 11.742,277 11.742,278 11.742,279 11.742,280 9.966,281 4.202,282 7.444,283 11.925,284 8.911,285 8.911,286 8.911,287 8.911,288 8.911,289 6.364,290 2.487,291 3.566,292 9.182,293 3.504,294 2.629,295 1.818,296 1.018,297 0.621,298 0.552,299 3.567,306 1,307 1,308 311,309 2.646,313 121.582,320 1.287,321 9.533,324 1,325 1,326 1,327 0.5,329 1,330 1,331 0.79,332 35,333 148,334 4.163,335 4.407,336 6.018,337 3.806,338 2.785,339 3.699,340 2.95,341 8.538,342 2.841,343 3.9,344 3.486,345 5.34,346 3.44,347 2.516,348 3.449,350 6.964,351 2.318,352 3.369,353 2.754,354 4.315,355 2.863,356 1.854,357 2.674,359 4.283,360 1.867,361 2.979,362 2.175,363 3.672,364 2.489,365 1.545,366 2.143,368 3.216,369 1.435,370 2.769,371 1.707,372 3.496,373 2.227,374 1.241,375 1.824,377 2.747,378 1.218,379 2.5,380 1.323,381 3.247,382 2,383 1,384 1.5,386 2.136,387 1,388 2.5,389 1,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 2.392,398 1,399 3.116,400 1.773,401 0.809,402 1.16,404 1.802,405 0.753,406 1.281,407 0.624,408 2.45,409 0.792,410 -0.141,411 -0.194,413 -0.319,414 -0.128,415 0.751,416 0.395,417 1.798,418 0.281,419 -0.736,420 -0.964,422 -1.594,423 -0.705,424 0.57,425 -0.509,426 1.555,427 0.143,428 -0.827,429 -1.209,431 -1.748,432 -0.809,433 0.5,434 -1,435 1.555,437 -1,438 -1.5,440 -2.347,441 -1,442 0.5,443 -1,444 1.345,446 -1,447 -1.5,449 -2.347,450 -1,451 0.079,452 -1.097,453 1,454 -0.377,455 -1.388,456 -1.928,458 -3.384,459 -1.343,460 -0.5,461 -1.161,462 1,463 -0.752,464 -1.71,465 -2.207,467 -4.622,468 -1.605,469 8.667,470 0.51,471 0.226,472 0.013,473 24.75,474 1.456,475 15.5,476 0.912,477 9.25,478 0.544,479 8.866,480 0.522,481 16.533,482 0.57,483 14.488,484 0.852,485 5.12,486 0.301,487 3.24,488 0.191,489 0.038,491 0.173,496 0.494,497 0.81,498 0.722,499 0.772,500 0.546,501 0.803,502 0.662,503 1.087,504 1.034,505 1.078,506 0.655,507 1.069,508 1.004,509 1.078,510 1.216,511 1.153,512 0.921,513 1.039,514 1.572,515 1.099,516 1.213,517 1.173,518 1.636,519 1.063,520 1.358,521 0.946,522 1.002,523 0.943,524 1.391,525 0.945,526 1.151,527 0.995,528 1.207,529 1.093,530 1.09,531 0.951,532 1.706,533 0.914,534 1.199,535 1.019,536 1.63,537 0.874,538 1.495,539 1.003,540 0.987,541 0.961,542 1.489,543 1.046,544 2,545 0.016,546 1.333,547 0.625,548 0.262,549 0.243,550 0.202,551 0.109,552 0.029,553 0.023,554 2674,555 7306,556 2.063,557 41.4,559 11,560 1,567 1.561,568 2,569 3.147,570 -0.865,572 1,574 1,575 39.259,576 1.354,577 2.229,578 3.04,579 3.84,580 4.237,581 4.306,582 2.514,583 3.499,584 4.064,585 3.246,586 441.488,587 6.827,588 4191.8,589 1,590 1,592 1,593 140.881,594 0.978,595 4.051,596 0.111,597 0.004,598 0.061,599 0.031,600 0.017,601 0.019,602 0.017,603 0.009,604 0.003,605 0.003,606 0.275,607 0.67,608 1,609 0.481,610 72.479,611 0.006,612 0.045,613 0.058,614 0.063,615 -0.056,616 0.038,617 -0.017,618 -0.191,619 -0.102,620 -0.153,621 -0.031,622 -0.189,623 -0.019,624 -0.089,625 -0.078,626 -0.092,627 0.039,628 -0.063,629 -0.04,630 -0.089,631 -0.051,632 -0.104,633 -0.103,634 -0.091,635 -0.079,636 0.044,637 0.018,638 0.054,639 -0.101,640 0.03,641 -0.018,642 0.024,643 -0.007,644 0.01,645 0.021,646 0.054,647 -0.139,648 0.087,649 -0.087,650 0.023,651 -0.051,652 0.084,653 -0.225,654 -0.095,655 -0.248,656 -0.14,657 -0.171,658 -0.161,659 1.631,660 4.735,661 0.706,662 10.955,663 0.99,664 1.09,665 4.029,666 16.234,667 0.747,668 2.944,669 3.135,670 3.296,671 3.401,672 3.497,673 3.219,674 3.219,675 3.135,676 3.135,677 3.135,678 5.247,679 0.692,680 240.34,681 2.944,682 4.394,683 5.176,684 5.974,685 6.767,686 7.569,687 8.366,688 9.168,689 9.967,690 10.77,709 10,714 2,716 12,721 1,738 29,739 14,740 2,741 18,743 30,744 15,745 12,746 2,747 10,748 3,752 2,753 2,768 15,772 2,778 1,780 2,782 1,786 1,789 12,790 1,792 2,793 1,803 1,804 1,823 2,845 1,855 2,856 1,857 1,862 17,873 1,886 3.4,889 1,893 8.5,894 5.083,895 3.944,896 1.618,898 2.601,899 1.451,900 0.976,901 4.172,902 8.366,903 3.296,904 3.784,905 4.284,906 4.73,907 5.167,908 4.948,909 5.211,910 5.348,911 5.577,912 5.901,913 0.833,914 20,915 6.247,917 2.514,918 7.725,919 11.926,921 9.226,924 2.225,925 37.833,926 0.002,929 141.253,930 154.169,933 25.145,935 32.22,936 121.95,937 166.398,940 7.841,941 104.239,942 30.278,943 4.736,944 11.771,945 161.702,947 141.253,948 121.95,949 25.145,950 32.22,952 141.253,953 25.145,957 112.474,958 9.476,959 32.22,960 141.253,961 25.145,962 154.169,965 141.253,966 42.089,967 112.08,969 25.145,970 141.253,971 25.145,972 154.169,973 0.549,974 0.309,975 0.158,976 0.08,977 9,978 3,979 0.133,980 4,982 1,983 3.131,984 104.461,986 12,987 61.487,989 1,993 11.686,994 6.069,995 3.613,997 25.145,998 19.243,1003 1.849,1006 320.568,1007 26,1013 11.735,1015 3.428,1017 0.036,1020 28.705,1021 31.621,1022 0.279,1023 0.459,1024 0.626,1025 0.791,1026 0.872,1027 0.886,1028 4.431,1029 0.809,1030 5.069,1031 2.136,1032 3.807,1033 4.466,1034 2.913,1035 5.707,1036 3.761,1037 5.582,1038 -0.141,1039 6.515,1040 1.802,1041 2.944,1042 3.689,1044 6.26,1045 2.912,1046 6.818,1047 -0.736,1048 8.066,1049 -0.319,1050 5.22,1051 6.512,1052 5.027,1053 9.318,1054 5.148,1055 8.09,1056 -0.827,1057 9.684,1058 -1.594,1059 5.252,1060 6.593,1062 10.799,1063 5.215,1064 9.394,1065 -1,1066 11.35,1067 -1.748,1068 6.907,1069 8.8,1070 7.185,1071 13.282,1072 6.836,1073 10.722,1074 -1,1075 13.047,1076 -2.347,1077 7.393,1078 9.331,1080 15.13,1081 7.37,1082 12.068,1083 -1.388,1084 14.768,1085 -2.347,1086 8.735,1087 11.205,1088 9.348,1089 17.402,1090 8.692,1091 2.785,1092 -1.71,1093 16.504,1094 -3.384,1095 9.463,1096 12,1098 19.406,1099 9.469,1100 2.516,1101 8.538,1102 18.251,1103 -4.622,1104 10.643,1105 13.674,1106 11.511,1107 21.597,1108 10.644,1109 1.854,1110 6.964,1111 20.007,1112 3.699,1113 11.501,1114 14.635,1116 23.672,1117 11.549,1118 1.545,1119 4.283,1120 21.77,1121 3.449,1122 12.598,1123 16.183,1124 13.675,1125 25.83,1126 12.653,1127 1.241,1128 3.216,1129 23.537,1130 2.674,1131 13.526,1132 17.252,1134 27.938,1135 13.624,1136 1,1137 2.747,1138 25.307,1139 2.143,1140 14.581,1141 18.716,1142 15.838,1143 30.085,1144 14.695,1145 1,1146 2.136,1147 27.081,1148 1.824,1149 15.548,1150 19.859,1152 32.209,1153 15.7,1154 2652,1155 4469,1156 12.307,1157 21.671,1158 26.033,1159 28.652,1160 25.799,1161 25.551,1162 25.501,1163 35.898,1164 5.9,1165 63.643,1166 24.864,1167 4.897,1168 6.407,1169 5.82,1170 4.889,1171 4.785,1172 6.699,1173 5.9,1174 14.421,1175 4.841,1176 4.649,1177 1.446,1178 1.592,1179 1.433,1180 1.419,1181 1.417,1182 1.994,1183 0.328,1184 3.536,1185 1.381,1186 3.939,1187 3.96,1188 4.028,1189 3.896,1190 7.428,1191 3.877,1192 3.866,1193 3.892,1194 3.842,1195 3.828,1196 4.757,1197 3.809,1198 3.498,1199 3.52,1200 3.542,1201 3.434,1202 4.72,1203 3.403,1204 2.987,1205 3.003,1206 3.17,1207 2.943,1208 4.203,1209 2.89,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.674,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.752,1223 2.812,1224 2.629,1225 2.656,1226 3.609,1227 2.637,1228 2.427,1229 2.455,1230 2.345,1231 2.183,1232 3.511,1233 2.184,1234 0.231,1235 0.245,1236 0.334,1237 0.211,1238 0.155,1239 4.163,1240 0.206,1241 4.407,1242 0.164,1243 6.018,1244 0.474,1245 3.806,1246 0.158,1247 2.785,1248 3.699,1249 2.95,1250 8.538,1251 2.841,1252 1.916,1253 1.896,1254 2.025,1255 1.995,1256 1.091,1257 2.007,1258 1.873,1259 1.85,1260 1.983,1261 1.94,1262 1.061,1263 1.965,1264 1.477,1265 1.455,1266 1.598,1267 1.596,1268 0.655,1269 1.612,1270 0.954,1271 0.936,1272 1.181,1273 1.078,1274 0.226,1275 1.111,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.107,1285 1.062,1286 0.218,1287 1.107,1288 0.776,1289 0.723,1290 1.033,1291 0.93,1292 0.129,1293 0.974,1294 0.309,1295 0.28,1296 0.584,1297 0.645,1299 0.631,1300 3.611,1302 4.828,1304 6.248,1306 7.748,1308 9.283,1319 1.542,1326 20.063,1327 39.259,1328 64.643,1329 88.152,1330 111.372,1331 122.881,1332 124.881,1333 22.134,1334 5.765,1335 17.07,1336 42.37,1337 12,1338 11.365,1339 3.907,1340 3.17,1341 28.699,1342 54,1343 42,1344 0.26,1345 131.577,1346 227.72,1347 312.807,1348 2062,1350 11.924,1351 0.701,1352 0.592,1353 12.278,1354 10.061,1355 8.36,1356 0.464,1357 0.345,1358 5.401,1359 7.788,1360 5.177,1361 4.348,1362 8.814,1363 6.217,1364 6.81,1365 0.31,1366 0.202,1367 7.42,1368 4.443,1369 5.451,1370 0.21,1371 0.117,1372 6.064,1373 3.042,1374 4.143,1375 0.143,1376 0.07,1377 4.796,1378 2.035,1379 3.092,1380 0.097,1381 0.041,1382 3.658,1383 1.327,1384 0.415,1385 55.28,1386 0.285,1387 17.728,1388 0.685,1389 80,1390 222.596,1391 104.386,1392 243.793,1393 327.4,1394 228,1395 88,1396 215.036,1397 106.696,1398 236.631,1399 336.03,1400 223,1401 5.235}
{0 CHEMBL1352621,1 1.574,2 8.588,3 1.38,4 1.904,5 62.762,6 7.415,7 0.333,8 3.58,9 3.677,10 3.133,11 2.996,12 4.693,13 3.016,14 4.126,15 4.281,16 3.417,17 3.306,18 5.248,19 3.312,20 4.277,21 4.464,22 3.397,23 3.373,24 5.363,25 3.35,26 4.171,27 4.355,28 3.144,29 3.3,30 5.264,31 3.214,32 4.117,33 4.366,34 2.934,35 3.201,36 4.975,37 3.065,38 4.014,39 4.281,40 2.86,41 2.984,42 4.944,43 2.894,44 3.795,45 3.998,46 2.777,47 2.778,48 4.886,49 2.755,50 3.635,51 3.817,52 2.666,53 2.669,54 4.826,55 2.606,56 0.08,57 0.423,58 6.801,59 2.983,60 5.725,61 3.697,62 0.408,63 0.626,64 13.857,65 4.465,66 30.201,67 5.799,68 0.521,69 0.699,70 16.858,71 4.966,72 36.64,73 6.724,74 0.468,75 0.64,76 14.842,77 4.927,78 41.286,79 6.63,80 0.298,81 0.599,82 14.446,83 4.908,84 23.976,85 7.175,86 0.293,87 0.507,88 13.575,89 3.806,90 23.29,91 5.76,92 0.317,93 0.379,94 10.812,95 2.999,96 25.996,97 3.963,98 0.362,99 0.329,100 8.924,101 2.827,102 27.198,103 3.78,104 10,105 23,106 0.302,107 0.622,108 0.795,109 0.835,110 0.847,111 0.859,112 2.906,113 0.916,114 -2.17,115 -2.21,116 -2.19,120 37.5,122 1,125 1,126 3,143 3,145 3,159 1,174 1,176 1,177 4,182 3,185 1,188 1,189 3,194 1,197 1,201 1,204 3,209 2,217 1,222 1,227 5,240 3,251 2,263 2,274 321,275 11.646,276 11.646,277 11.646,278 11.646,279 11.646,280 10.767,281 18.224,282 7.114,283 12.137,284 8.831,285 8.831,286 8.831,287 8.831,288 8.831,289 7.343,290 25.018,291 3.326,292 9.477,293 3.426,294 1.76,295 0.86,296 0.649,297 0.586,298 0.524,299 3.566,306 1,307 1,308 303,309 2.915,313 85.328,317 72.782,320 1.377,321 18.948,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 38.5,333 146,334 4.277,335 3.673,336 6.183,337 3.866,338 2.923,339 3.916,340 2.443,341 9.226,342 2.754,343 3.654,344 3.255,345 5.261,346 3.349,347 2.38,348 2.891,349 0.86,350 6.688,351 2.289,352 3.553,353 2.553,354 4.98,355 3.197,356 2.243,357 2.792,358 0.86,359 5.869,360 2.12,361 2.923,362 2.179,363 4.414,364 2.53,365 1.618,366 2.061,367 0.4,368 4.369,369 1.469,370 2.492,371 1.838,372 3.626,373 2.343,374 1.43,375 1.491,376 0.286,377 3.035,378 1.293,379 2.263,380 1.467,381 3.4,382 2.092,383 1.145,384 1.234,386 2.421,387 1.075,388 1.886,389 1.448,390 3.15,391 1.587,392 0.689,393 0.802,395 1.57,396 0.612,397 1.488,398 1.006,399 2.703,400 1.217,401 0.336,402 0.36,404 0.5,405 0.292,406 1.148,407 0.561,408 2.278,409 0.845,410 -0.13,411 -0.153,413 -0.271,414 -0.123,415 0.692,416 0.03,417 2,418 0.352,419 -0.608,420 -0.709,422 -1.373,423 -0.556,424 0.666,425 -0.258,426 2,427 0.307,428 -0.618,429 -0.729,431 -1.602,432 -0.577,433 0.158,434 -0.405,435 1.659,436 -0.118,437 -1.075,438 -1.293,440 -2.74,441 -1.025,443 -0.777,444 1.285,445 -0.279,446 -1.272,447 -1.586,449 -2.935,450 -1.238,451 -0.355,452 -1.063,453 1.093,454 -0.583,455 -1.453,456 -1.727,457 -0.4,458 -3.802,459 -1.268,460 -0.5,461 -1.324,462 0.748,463 -0.765,464 -1.668,465 -1.902,466 -0.86,467 -4.371,468 -1.556,469 7.733,470 0.455,471 0.294,472 0.017,473 20.25,474 1.191,475 9,476 0.529,477 11.25,478 0.662,479 11.055,480 0.65,481 19.867,482 0.621,483 12.85,484 0.756,485 4.312,486 0.254,487 3.98,488 0.234,489 0.108,491 0.259,496 0.852,497 1.483,498 0.771,499 1.357,500 0.621,501 1.085,502 1.173,503 1.102,504 0.953,505 0.994,506 0.726,507 0.921,508 1.204,509 0.975,510 1.048,511 0.898,512 1.072,513 0.915,514 1.006,515 1.07,516 1.257,517 1.136,518 1.442,519 1.255,520 0.561,521 1.118,522 0.915,523 1.127,524 0.615,525 1.126,526 0.818,527 0.894,528 0.845,529 0.891,530 0.639,531 0.86,532 1.504,533 0.825,534 1.116,535 0.864,536 1.506,537 0.878,538 0.87,539 1.057,540 1.058,541 1.157,542 1.075,543 1.168,544 3,545 0.033,546 1.556,547 0.563,548 0.596,549 0.285,550 0.162,551 0.134,552 0.135,553 0.06,554 2464,555 7872,556 2.028,557 46.9,559 12,562 1,563 2,567 1.562,568 1.925,569 3.11,570 -0.198,572 1,573 1,574 1,575 50.377,576 1.574,577 3.24,578 4.14,579 4.351,580 4.414,581 4.476,582 2.542,583 3.852,584 4.057,585 3.216,586 437.327,587 6.826,588 4054.85,590 1,593 160,594 1.261,595 4.03,596 0.167,597 0.008,598 0.068,599 0.026,600 0.037,601 0.022,602 0.013,603 0.012,604 0.015,605 0.009,606 0.376,607 0.67,608 1,609 1.806,610 71.84,611 -0.065,612 -0.232,613 0.058,614 -0.185,615 -0.033,616 -0.05,617 -0.086,618 -0.034,620 0.02,621 0.034,622 0.034,623 -0.132,624 0.046,625 -0.072,626 0.063,627 -0.106,628 0.024,629 -0.06,630 -0.03,631 -0.326,632 -0.133,633 -0.204,634 -0.289,635 0.067,636 -0.157,637 -0.002,638 -0.127,639 0.005,640 -0.097,641 -0.038,642 0.042,643 0.13,644 0.016,645 0.074,646 0.113,647 -0.277,648 0.086,649 -0.088,650 0.055,651 -0.161,652 0.044,653 0.256,654 -0.135,655 -0.072,656 -0.174,657 0.142,658 -0.207,659 1.893,660 3.928,661 0.588,662 12.567,663 1.019,664 1.133,665 0.939,666 0.882,667 0.63,668 2.944,669 3.178,670 3.367,671 3.526,672 3.738,673 3.689,674 3.714,675 3.738,676 3.761,677 3.434,678 5.09,679 0.612,680 237.28,681 2.944,682 4.419,683 5.22,684 6.047,685 6.87,686 7.707,687 8.539,688 9.381,689 10.219,690 11.065,691 3.1,696 1,709 3,714 3,716 6,729 1,735 2,738 32,739 7,740 1,741 18,743 33,744 12,745 6,746 3,747 3,752 2,753 3,766 1,768 7,769 5,772 1,778 1,782 1,786 1,789 15,790 5,791 1,792 5,797 1,803 0.5,804 4,823 2,827 1,841 1,855 1,859 1,862 17,869 4,871 1,872 3,886 12.5,889 1,891 3,893 8.833,894 5.917,895 3.944,896 1.819,898 1.304,899 1.216,900 0.922,901 4.227,902 7.33,903 3.135,904 3.597,905 4.03,906 4.459,907 4.945,908 5.004,909 5.12,910 5.238,911 5.371,912 5.062,913 0.833,914 22,915 6.257,917 2.52,918 7.892,919 11.807,921 9.049,924 2.392,925 40.667,926 0.001,929 164.795,930 73.572,931 18.011,933 58.145,936 73.572,937 222.94,938 18.011,939 10.883,940 13.825,941 28.429,942 50.347,943 46.243,945 164.795,947 164.795,948 91.582,949 58.145,952 164.795,953 58.145,956 13.825,957 59.747,958 18.011,960 164.795,961 76.155,962 73.572,965 164.795,966 34.26,967 39.312,968 18.011,969 58.145,970 164.795,971 76.155,972 73.572,973 0.557,974 0.316,975 0.153,976 0.083,977 10,978 4,979 0.152,980 5,981 1,982 1.2,983 3.045,984 107.887,985 0.2,986 10,987 69.487,993 12.204,994 5.888,995 3.346,997 76.155,998 5.617,1003 2.396,1005 18.011,1006 314.523,1007 22,1013 10.928,1017 -0.227,1020 32.596,1021 36.242,1022 0.315,1023 0.648,1024 0.828,1025 0.87,1026 0.883,1027 0.895,1028 4.324,1029 0.336,1030 5.153,1031 1.57,1032 3.85,1033 4.277,1034 2.662,1035 5.855,1036 3.723,1037 5.461,1038 -0.13,1039 6.642,1040 0.5,1041 3.219,1042 3.98,1043 2.243,1044 6.555,1045 3.08,1046 6.724,1047 -0.608,1048 8.23,1049 -0.271,1050 5.333,1051 6.318,1052 3.888,1053 9.59,1054 5.097,1055 8.023,1056 -0.618,1057 9.878,1058 -1.373,1059 5.525,1060 6.84,1061 4.269,1062 11.144,1063 5.259,1064 9.356,1065 -1.075,1066 11.564,1067 -1.602,1068 7.074,1069 8.67,1070 5.493,1071 13.672,1072 6.734,1073 10.711,1074 -1.272,1075 13.277,1076 -2.74,1077 7.683,1078 9.575,1079 6.158,1080 15.595,1081 7.293,1082 12.083,1083 -1.453,1084 15.012,1085 -2.935,1086 8.971,1087 11.188,1088 7.209,1089 17.938,1090 8.52,1091 2.923,1092 -1.668,1093 16.761,1094 -3.802,1095 9.8,1096 12.295,1097 7.992,1098 20.026,1099 9.287,1100 2.38,1101 9.226,1102 18.523,1103 -4.371,1104 10.965,1105 13.8,1106 8.963,1107 22.297,1108 10.397,1109 2.243,1110 6.688,1111 20.295,1112 3.916,1113 11.909,1114 15.018,1115 9.802,1116 24.459,1117 11.274,1118 1.618,1119 5.869,1120 22.076,1121 2.891,1122 13.018,1123 16.464,1124 10.734,1125 26.701,1126 12.328,1127 1.43,1128 4.369,1129 23.863,1130 2.792,1131 14.023,1132 17.744,1133 11.599,1134 28.896,1135 13.266,1136 1.145,1137 3.035,1138 25.656,1139 2.061,1140 15.108,1141 19.157,1142 12.512,1143 31.126,1144 14.294,1145 0.689,1146 2.421,1147 27.453,1148 1.491,1149 16.144,1150 20.473,1151 13.391,1152 33.335,1153 15.264,1154 2522,1155 4571,1156 12.019,1157 20.154,1158 25.519,1159 26.92,1160 26.548,1161 25.428,1162 25.528,1163 31.095,1164 9.698,1165 67.355,1166 23.808,1167 5.221,1168 5.673,1169 5.87,1170 5.006,1171 4.923,1172 6.916,1173 4.174,1174 15.535,1175 4.754,1176 7.214,1177 1.418,1178 1.496,1179 1.475,1180 1.413,1181 1.418,1182 1.727,1183 0.539,1184 3.742,1185 1.323,1186 3.959,1187 3.979,1188 3.908,1189 3.847,1190 7.432,1191 3.858,1192 3.667,1193 3.699,1194 3.571,1195 3.449,1196 4.955,1197 3.468,1198 3.461,1199 3.505,1200 3.337,1201 3.246,1202 4.507,1203 3.256,1204 3.24,1205 3.315,1206 3.052,1207 2.955,1208 4.413,1209 2.969,1210 2.957,1211 3.024,1212 2.801,1213 2.755,1214 4.215,1215 2.754,1216 2.861,1217 2.908,1218 2.707,1219 2.664,1220 3.953,1221 2.664,1222 2.638,1223 2.68,1224 2.493,1225 2.418,1226 3.456,1227 2.432,1228 2.476,1229 2.557,1230 2.258,1231 2.095,1232 3.376,1233 2.115,1234 0.238,1235 0.204,1236 0.343,1237 0.215,1238 0.162,1239 4.277,1240 0.218,1241 3.673,1242 0.136,1243 6.183,1244 0.513,1245 3.866,1246 0.153,1247 2.923,1248 3.916,1249 2.443,1250 9.226,1251 2.754,1252 1.896,1253 1.878,1254 1.997,1255 2.037,1256 1.147,1257 2.024,1258 1.589,1259 1.547,1260 1.812,1261 1.835,1262 1.045,1263 1.823,1264 1.407,1265 1.357,1266 1.671,1267 1.649,1268 0.903,1269 1.652,1270 1.192,1271 1.113,1272 1.569,1273 1.5,1274 0.577,1275 1.526,1276 0.911,1277 0.853,1278 1.172,1279 1.187,1280 0.257,1281 1.184,1282 0.816,1283 0.76,1284 1.085,1285 1.066,1286 0.171,1287 1.069,1288 0.583,1289 0.54,1290 0.906,1291 0.84,1292 0.055,1293 0.853,1294 0.407,1295 0.31,1296 0.825,1297 0.793,1299 0.806,1300 3.611,1302 4.86,1304 6.315,1306 7.867,1308 9.47,1310 1.381,1315 2.026,1317 3.124,1318 15.423,1326 19.568,1327 50.377,1328 103.682,1329 132.49,1330 139.245,1331 141.245,1332 143.245,1333 23.746,1334 6.026,1335 56.79,1336 56.79,1337 12,1338 11.628,1339 3,1340 2.322,1341 28.687,1342 51,1343 52,1344 0.278,1345 122.161,1346 216.14,1347 289.834,1348 2746,1350 12.088,1351 0.711,1352 0.57,1353 12.088,1354 9.693,1355 8.292,1356 0.461,1357 0.305,1358 5.354,1359 7.731,1360 5.251,1361 4.328,1362 8.292,1363 5.497,1364 6.928,1365 0.301,1366 0.157,1367 6.928,1368 3.611,1369 5.655,1370 0.202,1371 0.087,1372 5.655,1373 2.428,1374 4.192,1375 0.127,1376 0.047,1377 4.192,1378 1.564,1379 3.388,1380 0.083,1381 0.025,1382 3.388,1383 1.028,1384 0.439,1385 53.715,1386 0.288,1387 17.519,1388 0.749,1389 82,1390 317.275,1391 96.01,1392 283.71,1393 375.41,1394 268,1395 92,1396 259.781,1397 105.182,1398 255.092,1399 369.61,1400 239,1401 5.762}
{0 CHEMBL1352850,1 1.655,2 7.174,3 3.099,4 9.607,5 87.778,6 7.972,7 0.4,8 3.838,9 3.946,10 3.457,11 3.377,12 4.937,13 3.356,14 4.416,15 4.579,16 3.871,17 3.802,18 5.494,19 3.768,20 4.668,21 4.832,22 4.081,23 4.015,24 5.81,25 3.978,26 4.895,27 5.079,28 4.112,29 4.161,30 5.98,31 4.096,32 5.015,33 5.219,34 4.17,35 4.171,36 6.235,37 4.065,38 4.984,39 5.224,40 3.987,41 3.981,42 6.15,43 3.861,44 4.556,45 4.789,46 3.45,47 3.65,48 5.637,49 3.481,50 4.331,51 4.647,52 2.977,53 3.19,54 5.315,55 2.979,56 0.051,57 0.587,58 8.008,59 3.921,60 7.573,61 4.959,62 0.362,63 0.971,64 18.884,65 6.745,66 36.54,67 8.864,68 0.519,69 1.271,70 22.554,71 8.013,72 48.541,73 10.546,74 0.443,75 1.486,76 28.631,77 10.783,78 64.523,79 13.921,80 0.719,81 1.493,82 37.346,83 12.949,84 112.393,85 16.771,86 1.106,87 1.265,88 49.111,89 12.292,90 124.197,91 15.747,92 0.347,93 0.903,94 24.836,95 8.564,96 50.493,97 11.251,98 0.425,99 0.618,100 25.814,101 6.692,102 56.107,103 9.259,104 45,105 38,106 0.292,107 0.643,108 0.798,109 0.832,110 0.84,111 0.84,112 3.191,113 0.961,114 -3.12,115 -3.12,116 -3,120 40.5,121 2,122 1,125 1,126 1,128 1,131 1,143 4,144 2,153 2,159 2,174 6,176 2,177 3,182 3,185 7,188 2,189 5,192 1,194 5,197 7,201 6,206 1,209 7,213 2,214 9,217 1,222 8,227 7,230 2,232 1,235 5,240 6,247 1,252 4,260 2,271 2,274 555,275 15.203,276 15.203,277 15.203,278 15.203,279 15.203,280 13.824,281 15.258,282 8.547,283 15.543,284 12.165,285 12.165,286 12.165,287 12.165,288 12.165,289 9.856,290 18.564,291 3.834,292 12.63,293 3.737,294 1.745,295 0.863,296 0.673,297 0.625,298 0.625,299 3.86,300 1,305 1,306 1,307 1,308 346,309 3.742,312 33.691,313 96.723,316 137.342,320 1.066,321 29.425,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 50.333,333 165,334 4.833,335 4.117,336 7.86,337 4.631,338 3.666,339 4.617,340 2.474,341 14.623,342 3.536,343 4.367,344 3.709,345 6.707,346 3.991,347 3.015,348 3.689,349 2.115,350 10.764,351 2.941,352 3.88,353 3.514,354 6.334,355 3.683,356 2.701,357 3.079,358 0.85,359 9.272,360 2.638,361 3.607,362 3.008,363 5.656,364 3.254,365 2.265,366 2.855,367 0.347,368 7.026,369 2.216,370 3.328,371 2.302,372 5.21,373 2.947,374 1.959,375 2.575,376 0.311,377 5.886,378 1.926,379 3.046,380 2.116,381 4.738,382 2.554,383 1.588,384 2.272,386 4.523,387 1.529,388 2.708,389 1.888,390 4.279,391 2.319,392 1.372,393 1.78,395 3.523,396 1.275,397 2.611,398 1.56,399 3.648,400 2.244,401 1.254,402 1.575,404 2.89,405 1.239,406 2.045,407 1.461,408 3.547,409 1.626,410 0.672,411 0.883,413 1.752,414 0.635,415 1.512,416 1.302,417 3.477,418 1.215,419 0.426,420 0.444,422 0.724,423 0.287,424 1.462,425 0.82,426 2.879,427 1.058,428 0.149,429 0.178,431 0.206,432 0.123,433 1.226,434 0.618,435 2.56,436 0.802,437 -0.11,438 -0.134,440 -0.245,441 -0.093,442 0.842,443 -0.012,444 2.443,445 0.472,446 -0.53,447 -0.666,449 -1.449,450 -0.519,451 0.647,452 -0.178,453 2.273,454 0.178,455 -0.822,456 -1,458 -2.065,459 -0.819,460 0.335,461 -0.387,462 2.222,464 -1,465 -1.16,467 -2.848,468 -1,469 11.014,470 0.479,471 0.76,472 0.033,473 26,474 1.13,475 11,476 0.478,477 15,478 0.652,479 22.976,480 0.999,481 25.586,482 0.609,483 19.964,484 0.868,485 5.057,486 0.22,487 5.855,488 0.255,489 0.262,490 0.045,491 0.354,496 0.682,497 1.385,498 0.626,499 1.063,500 0.551,501 0.963,502 0.754,503 1.129,504 0.79,505 0.872,506 0.565,507 0.811,508 0.81,509 1.046,510 0.748,511 0.948,512 0.851,513 0.97,514 1.065,515 1.143,516 0.814,517 1.027,518 1.123,519 1.061,520 0.957,521 1.163,522 0.949,523 1.125,524 1.079,525 1.135,526 1.351,527 0.705,528 1.359,529 0.947,530 1.279,531 0.916,532 0.992,533 1.176,534 1.059,535 1.216,536 1.045,537 1.261,538 1.061,539 0.562,540 1.049,541 0.707,542 1.032,543 0.712,544 5.5,546 4,547 2.944,548 2.569,549 1.344,550 0.76,551 0.232,552 0.116,553 0.04,554 4267,555 13698,556 1.981,557 45.2,559 10,562 1,564 8,567 1.67,568 1.781,569 2.823,570 -0.284,571 1,572 1,574 1,575 69.525,576 1.655,577 3.647,578 4.529,579 4.719,580 4.767,581 4.767,582 2.235,583 3.915,584 4.494,585 2.936,586 742.913,587 7.806,588 8001.38,589 1,590 1,592 1,593 226.477,594 1.762,595 4.403,596 0.22,598 0.105,599 0.067,600 0.057,601 0.034,602 0.025,603 0.014,604 0.012,605 0.013,606 0.546,607 0.5,608 1,609 1.315,610 102.804,611 -0.037,612 -0.164,613 0.025,614 -0.055,615 -0.043,616 -0.002,617 0.085,618 -0.008,619 0.045,620 0.108,621 0.052,622 0.146,623 0.051,624 0.139,625 -0.037,626 -0.024,627 -0.014,628 -0.058,629 -0.156,630 -0.066,631 -0.098,632 -0.089,633 -0.12,634 -0.121,635 0.065,636 -0.203,637 -0.017,638 -0.15,639 0.085,640 -0.164,641 -0.038,642 0.145,643 -0.055,644 0.049,645 -0.056,646 0.064,647 -0.087,648 -0.274,649 -0.102,650 -0.228,651 -0.071,652 -0.258,653 -0.048,654 0.201,655 0.174,656 0.268,657 0.004,658 0.323,659 2.09,660 5.411,661 0.565,662 15.713,663 1.011,664 1.126,665 1.895,666 3.59,667 0.669,668 3.258,669 3.664,670 4.025,671 4.369,672 4.644,673 4.804,674 4.963,675 5.081,676 4.997,677 4.868,678 4.501,679 0.637,680 334.83,681 3.258,682 4.844,683 5.746,684 6.688,685 7.62,686 8.573,687 9.515,688 10.471,689 11.418,690 12.375,691 4.8,698 1,699 1,708 2,709 4,711 1,714 2,716 10,738 42,739 12,740 1,741 25,743 44,744 17,745 8,746 2,747 4,750 1,752 3,753 6,754 1,759 3,763 2,764 1,766 2,768 10,769 7,770 1,772 2,778 2,782 2,785 1,786 1,789 19,790 4,791 1,792 6,793 1,797 2,803 0.333,804 3,818 1,822 1,823 2,826 2,839 1,841 1,855 1,859 3,860 1,862 23,869 2,872 1,874 1,875 1,876 1,885 1,886 7.1,889 2,891 1,893 12.917,894 8.51,895 5.083,896 2.405,898 2.256,899 1.315,900 0.942,901 4.15,902 9.428,903 3.497,904 4.115,905 4.728,906 5.34,907 5.879,908 6.27,909 6.699,910 7.107,911 7.172,912 7.317,913 0.8,914 44,915 8.576,917 3.765,918 7.921,919 16.114,921 13.549,924 2.421,925 55.694,928 1,929 211.88,930 94.378,931 19.91,932 39.149,933 61.29,936 94.378,937 312.318,938 19.91,939 28.533,940 8.508,941 37.905,942 62.186,943 33.544,944 4.901,945 251.028,947 211.88,948 114.288,949 61.29,950 39.149,952 117.711,953 155.459,956 42.944,957 71.343,958 39.149,960 211.88,961 81.2,962 133.527,965 211.88,966 27.939,967 69.563,968 16.786,969 100.438,970 211.88,971 81.2,972 133.527,973 0.595,974 0.377,975 0.211,976 0.124,977 20,978 10,979 0.045,980 2,981 2,982 1.308,983 3.18,984 200.817,985 0.308,986 13,987 102.042,993 16.342,994 5.84,995 2.446,996 2.066,997 64.414,998 7.933,1000 3.404,1003 1.997,1005 16.786,1006 426.606,1007 32,1013 24.694,1017 -0.705,1020 42.462,1021 47.306,1022 0.307,1023 0.676,1024 0.84,1025 0.875,1026 0.884,1027 0.884,1028 4.792,1029 1.254,1030 5.814,1031 3.523,1032 4.344,1033 4.8,1034 3.042,1035 6.795,1036 4.277,1037 6.042,1038 0.672,1039 7.492,1040 2.89,1041 4.29,1042 4.856,1043 2.619,1044 8.202,1045 4.22,1046 7.407,1047 0.426,1048 9.286,1049 1.752,1050 6.142,1051 7.055,1052 4.366,1053 11.367,1054 6.017,1055 8.811,1056 0.149,1057 11.15,1058 0.724,1059 6.899,1060 7.918,1061 4.649,1062 13.586,1063 6.747,1064 10.25,1065 -0.11,1066 13.059,1067 0.206,1068 8.321,1069 9.677,1070 5.922,1071 16.381,1072 8.13,1073 11.713,1074 -0.53,1075 15,1076 -0.245,1077 9.398,1078 10.901,1079 6.506,1080 18.891,1081 9.17,1082 13.196,1083 -0.822,1084 16.964,1085 -1.449,1086 10.702,1087 12.506,1088 7.578,1089 21.593,1090 10.437,1091 3.666,1092 -1,1093 18.946,1094 -2.065,1095 11.904,1096 13.897,1097 8.311,1098 24.208,1099 11.6,1100 3.015,1101 14.623,1102 20.942,1103 -2.848,1104 13.182,1105 15.446,1106 9.289,1107 26.89,1108 12.84,1109 2.701,1110 10.764,1111 22.95,1112 4.617,1113 14.433,1114 16.911,1115 10.099,1116 29.544,1117 14.052,1118 2.265,1119 9.272,1120 24.967,1121 3.689,1122 15.711,1123 18.442,1124 11.033,1125 32.223,1126 15.293,1127 1.959,1128 7.026,1129 26.992,1130 3.079,1131 16.983,1132 19.941,1133 11.884,1134 34.893,1135 16.527,1136 1.588,1137 5.886,1138 29.023,1139 2.855,1140 18.267,1141 21.467,1142 12.798,1143 37.572,1144 17.772,1145 1.372,1146 4.523,1147 31.059,1148 2.575,1149 19.55,1150 22.981,1151 13.672,1152 40.249,1153 19.018,1154 4360,1155 7864,1156 15.72,1157 28.085,1158 38.639,1159 41.309,1160 42.111,1161 38.017,1162 38.134,1163 47.894,1164 12.194,1165 122.376,1166 36.689,1167 5.781,1168 6.117,1169 7.541,1170 5.674,1171 5.666,1172 7.617,1173 4.216,1174 23.432,1175 5.536,1176 13.791,1177 1.546,1178 1.652,1179 1.684,1180 1.521,1181 1.525,1182 1.916,1183 0.488,1184 4.895,1185 1.468,1186 4.173,1187 4.206,1188 4.138,1189 4.086,1190 7.435,1191 4.094,1192 3.794,1193 3.83,1194 3.837,1195 3.651,1196 7.425,1197 3.661,1198 3.508,1199 3.541,1200 3.624,1201 3.31,1202 4.957,1203 3.321,1204 3.447,1205 3.472,1206 3.41,1207 3.281,1208 4.661,1209 3.284,1210 3.278,1211 3.346,1212 3.157,1213 3.101,1214 4.503,1215 3.1,1216 3.148,1217 3.232,1218 3.02,1219 2.906,1220 4.372,1221 2.908,1222 2.934,1223 3.009,1224 2.882,1225 2.782,1226 4.038,1227 2.769,1228 2.874,1229 2.993,1230 2.75,1231 2.618,1232 3.843,1233 2.57,1234 0.193,1235 0.165,1236 0.314,1237 0.185,1238 0.147,1239 4.833,1240 0.185,1241 4.117,1242 0.099,1243 7.86,1244 0.585,1245 4.631,1246 0.141,1247 3.666,1248 4.617,1249 2.474,1250 14.623,1251 3.536,1252 1.952,1253 1.93,1254 2.052,1255 2.051,1256 1.345,1257 2.048,1258 1.858,1259 1.816,1260 1.988,1261 2.01,1262 1.129,1263 2.009,1264 1.444,1265 1.403,1266 1.7,1267 1.69,1268 0.91,1269 1.683,1270 1.381,1271 1.35,1272 1.577,1273 1.597,1274 0.729,1275 1.591,1276 1.246,1277 1.188,1278 1.523,1279 1.511,1280 0.584,1281 1.538,1282 1.113,1283 1.032,1284 1.417,1285 1.378,1286 0.469,1287 1.388,1288 0.966,1289 0.91,1290 1.354,1291 1.239,1292 0.466,1293 1.308,1294 0.934,1295 0.804,1296 1.16,1297 1.157,1298 0.296,1299 1.161,1300 3.932,1302 5.313,1303 2.398,1304 6.913,1305 4.844,1306 8.618,1307 7.081,1308 10.384,1310 5.172,1311 5.778,1315 0.241,1318 4.925,1320 -0.673,1321 1.545,1322 -0.683,1326 26.756,1327 69.525,1328 153.174,1329 190.213,1330 198.213,1331 200.213,1332 200.213,1333 51.766,1334 7.172,1335 62.4,1336 62.4,1337 17,1338 12.862,1339 3.7,1340 3,1341 36.312,1342 65,1343 56,1344 0.308,1345 168.006,1346 291.52,1347 401.694,1348 10161,1349 2.4,1350 16.776,1351 0.729,1352 0.613,1353 17.276,1354 14.107,1355 10.912,1356 0.436,1357 0.32,1358 7.407,1359 10.164,1360 7.059,1361 5.836,1362 11.266,1363 8.009,1364 10.232,1365 0.269,1366 0.171,1367 10.436,1368 6.491,1369 9.044,1370 0.164,1371 0.088,1372 9.366,1373 4.822,1374 7.645,1375 0.098,1376 0.048,1377 7.772,1378 3.732,1379 6.39,1380 0.062,1381 0.026,1382 6.63,1383 2.703,1384 0.447,1385 72.519,1386 0.252,1387 21.449,1388 0.969,1389 126,1390 385.388,1391 150.501,1392 391.93,1393 518.16,1394 366,1395 156,1396 350.376,1397 177.891,1398 360.347,1399 534.68,1400 336,1401 5.39}
{0 CHEMBL1352897,1 1.559,2 9.5,3 3.862,4 14.915,5 86.328,6 7.9,7 0.273,8 3.672,9 3.78,10 3.362,11 3.331,12 4.727,13 3.262,14 4.199,15 4.362,16 3.74,17 3.703,18 5.243,19 3.604,20 4.4,21 4.631,22 3.631,23 3.719,24 5.322,25 3.561,26 4.279,27 4.517,28 3.472,29 3.595,30 5.225,31 3.416,32 4.067,33 4.254,34 3.279,35 3.449,36 5.11,37 3.314,38 3.989,39 4.167,40 3.235,41 3.323,42 5.127,43 3.21,44 3.903,45 4.089,46 3.181,47 3.263,48 5.035,49 3.13,50 3.852,51 4.068,52 3.014,53 3.132,54 4.918,55 3.003,56 0.013,57 0.501,58 7.259,59 3.479,60 3.92,61 4.372,62 0.171,63 0.875,64 14.985,65 5.722,66 16.21,67 7.414,68 0.137,69 0.994,70 21.395,71 8.124,72 17.865,73 10.202,74 0.204,75 0.908,76 22.737,77 7.828,78 24.695,79 9.165,80 0.122,81 0.73,82 17.063,83 5.99,84 18.099,85 6.779,86 0.134,87 0.614,88 12.268,89 4.877,90 24.945,91 5.747,92 0.12,93 0.586,94 13.401,95 4.98,96 24.927,97 5.632,98 0.099,99 0.565,100 12.632,101 4.535,102 20.104,103 5.417,104 2,105 29,106 0.284,107 0.596,108 0.723,109 0.786,110 0.8,111 0.8,112 3.056,113 1.041,114 -5.1,115 -5,116 -4.68,120 44.4,122 2,126 2,136 3,139 1,143 5,144 1,159 1,160 1,174 10,176 2,177 4,185 11,189 3,197 9,200 1,201 5,209 8,214 3,222 4,227 5,235 5,240 5,247 4,252 6,260 3,264 4,271 2,274 512,275 13.845,276 13.845,277 13.845,278 13.845,279 13.845,280 12.404,281 10.577,282 8.494,283 14.159,284 10.899,285 10.899,286 10.899,287 10.899,288 10.899,289 8.694,290 9.688,291 4.074,292 11.454,293 3.611,294 1.899,295 1.198,296 0.854,297 0.778,298 0.778,299 3.739,305 1,306 1,307 1,308 414,309 2.345,312 115.033,313 71.501,320 1.5,321 12.505,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42,333 190,334 4.341,335 4.714,336 6.322,337 3.933,338 3.03,339 3.735,340 3.66,341 9.672,342 2.747,343 3.946,344 3.487,345 5.832,346 3.533,347 2.56,348 3.504,349 1.118,350 7.942,351 2.52,352 3.755,353 3.107,354 5.339,355 3.472,356 2.5,357 2.935,358 0.793,359 6.962,360 2.381,361 3.166,362 2.521,363 4.411,364 2.669,365 1.709,366 2.313,367 0.14,368 4.338,369 1.645,370 2.948,371 2.408,372 4.197,373 2.548,374 1.57,375 2.017,377 3.761,378 1.513,379 2.806,380 1.59,381 3.665,382 2.375,383 1.396,384 1.776,386 3.172,387 1.349,388 2.5,389 1.29,390 3.313,391 2,392 1,393 1.5,395 2.166,396 1,397 2.464,398 1.123,399 3.247,400 1.866,401 0.936,402 1.266,404 2.136,405 0.849,406 1.921,407 1.009,408 3.235,409 1.699,410 0.766,411 0.84,413 1.865,414 0.707,415 1.618,416 1,417 3,418 1.591,419 0.618,420 0.618,422 1.372,423 0.6,424 1.357,425 0.744,426 2.628,427 0.906,428 -0.048,429 -0.063,431 -0.119,432 -0.046,433 0.863,434 0.201,435 2.267,436 0.414,437 -0.591,438 -0.878,440 -1.385,441 -0.578,442 0.631,443 -0.258,444 1.898,445 0.137,446 -0.857,447 -1.037,449 -1.941,450 -0.822,451 0.5,452 -0.557,453 1.573,455 -1,456 -1.401,458 -2.347,459 -1,460 0.06,461 -0.88,462 1.555,463 -0.172,464 -1.11,465 -1.5,467 -2.8,468 -1.041,469 9.967,470 0.498,471 0.346,472 0.017,473 24.5,474 1.225,475 12,476 0.6,477 12.5,478 0.625,479 14.772,480 0.739,481 20.633,482 0.573,483 14.561,484 0.728,485 4.719,486 0.236,487 5.108,488 0.255,489 0.033,491 0.241,496 0.638,497 1.177,498 0.729,499 0.909,500 0.517,501 0.901,502 0.648,503 1.075,504 0.852,505 0.977,506 0.495,507 0.973,508 0.737,509 1.042,510 0.899,511 1.017,512 0.625,513 0.988,514 0.899,515 0.936,516 1.341,517 1.115,518 0.832,519 0.912,520 1.373,521 1.091,522 1.565,523 1.342,524 1.298,525 1.131,526 2.015,527 0.971,528 0.979,529 0.915,530 2.564,531 1.04,532 1.749,533 1.038,534 1.252,535 1.088,536 2.021,537 1.011,538 1.417,539 1.118,540 1.133,541 1.077,542 1.441,543 1,544 3,545 0.011,546 1.778,547 0.882,548 0.696,549 0.393,550 0.253,551 0.126,552 0.131,553 0.061,554 4366,555 10555,556 2.138,557 44.4,559 12,564 4,567 1.611,568 2.069,569 3.246,570 -0.787,572 1,574 1,575 56.117,576 1.559,577 3.271,578 3.972,579 4.316,580 4.392,581 4.392,582 2.709,583 3.722,584 4.294,585 3.397,586 645.413,587 7.304,588 6836.71,590 1,591 1,592 1,593 186.117,594 1.076,595 4.283,596 0.136,597 0.001,598 0.061,599 0.037,600 0.033,601 0.021,602 0.015,603 0.008,604 0.009,605 0.006,606 0.327,607 0.67,608 1,609 0.432,610 90.399,611 0.014,612 -0.132,613 0.076,614 0.008,616 0.01,617 0.214,618 -0.005,619 0.075,620 -0.032,621 0.12,622 -0.055,623 0.076,624 -0.07,625 0.109,626 -0.021,627 0.09,628 0.001,629 0.06,630 0.102,631 -0.031,632 0.05,633 0.015,634 0.103,635 -0.21,636 -0.038,637 -0.343,638 -0.226,639 -0.117,640 -0.167,641 -0.284,642 -0.037,643 -0.102,644 -0.01,645 -0.345,646 -0.127,647 -0.226,648 -0.061,649 -0.121,650 -0.024,651 -0.16,652 -0.052,653 -0.119,654 -0.131,655 -0.089,656 -0.083,657 -0.031,658 -0.044,659 1.783,660 4.847,661 0.8,662 16.2,663 0.994,664 1.112,665 3.872,666 14.989,667 0.707,668 3.135,669 3.401,670 3.638,671 3.85,672 3.892,673 3.892,674 3.912,675 3.932,676 3.912,677 3.85,678 5.741,679 0.656,680 284.41,681 3.135,682 4.635,683 5.46,684 6.304,685 7.146,686 7.997,687 8.846,688 9.702,689 10.555,690 11.413,691 5.6,694 1,700 1,709 5,714 1,716 6,738 36,739 10,740 1,741 22,743 38,744 16,745 6,746 1,747 5,748 6,752 3,753 3,763 2,766 2,768 12,769 4,772 4,778 1,780 3,781 1,782 3,786 1,789 16,790 3,792 4,793 1,797 2,803 1,804 1,819 1,822 2,823 1,845 4,851 1,855 3,856 1,857 1,862 20,869 4,873 1,875 1,886 2.8,889 1,893 9.667,894 6.4,895 4.472,896 2.288,898 2.576,899 1.399,900 0.993,901 4.145,902 9.039,903 3.401,904 3.882,905 4.379,906 4.821,907 5.205,908 5.298,909 5.623,910 5.935,911 6.274,912 6.606,913 1,914 24,915 7.4,917 3.097,918 7.625,919 14.422,921 11.825,924 2.125,925 42.5,926 0.001,929 188.338,930 127.444,931 19.91,933 25.145,935 32.22,936 95.224,937 213.483,938 19.91,940 9.28,941 75.81,942 31.4,943 23.095,944 0.693,945 220.557,947 188.338,948 115.134,949 25.145,950 32.22,952 141.253,953 72.229,956 29.19,957 55.965,958 29.979,959 32.22,960 188.338,961 45.055,962 127.444,965 188.338,966 51.634,967 78.934,969 41.93,970 188.338,971 45.055,972 127.444,973 0.566,974 0.326,975 0.175,976 0.083,977 14,978 5,979 0.079,980 3,982 1,983 3.453,984 141.989,986 16,987 78.439,989 1,993 13.351,994 6.209,995 3.29,997 45.055,998 10.047,1003 1.125,1006 360.836,1007 29,1013 11.847,1015 5.763,1016 4.142,1017 1.459,1020 35.793,1021 40.032,1022 0.302,1023 0.633,1024 0.768,1025 0.835,1026 0.85,1027 0.85,1028 4.61,1029 0.936,1030 5.398,1031 2.166,1032 4.078,1033 4.564,1034 3.414,1035 6.133,1036 3.977,1037 5.769,1038 0.766,1039 6.903,1040 2.136,1041 3.434,1042 4.034,1043 2.048,1044 6.862,1045 3.237,1046 7.036,1047 0.618,1048 8.51,1049 1.865,1050 5.587,1051 6.581,1052 5.803,1053 9.953,1054 5.365,1055 8.341,1056 -0.048,1057 10.181,1058 1.372,1059 5.861,1060 6.903,1061 4.987,1062 11.577,1063 5.506,1064 9.678,1065 -0.591,1066 11.895,1067 -0.119,1068 7.39,1069 8.865,1070 8.34,1071 14.121,1072 7.018,1073 11.039,1074 -0.857,1075 13.637,1076 -1.385,1077 8.086,1078 9.596,1079 7.867,1080 16.097,1081 7.57,1082 12.418,1083 -1,1084 15.398,1085 -1.941,1086 9.356,1087 11.282,1088 10.892,1089 18.458,1090 8.81,1091 3.03,1092 -1.11,1093 17.175,1094 -2.347,1095 10.255,1096 12.237,1097 10.666,1098 20.586,1099 9.567,1100 2.56,1101 9.672,1102 18.961,1103 -2.8,1104 11.417,1105 13.77,1106 13.448,1107 22.881,1108 10.678,1109 2.5,1110 7.942,1111 20.755,1112 3.735,1113 12.414,1114 14.856,1115 13.416,1116 25.077,1117 11.54,1118 1.709,1119 6.962,1120 22.556,1121 3.504,1122 13.531,1123 16.301,1124 16.007,1125 27.35,1126 12.589,1127 1.57,1128 4.338,1129 24.362,1130 2.935,1131 14.578,1132 17.467,1133 16.133,1134 29.58,1135 13.508,1136 1.396,1137 3.761,1138 26.172,1139 2.313,1140 15.68,1141 18.859,1142 18.567,1143 31.846,1144 14.526,1145 1,1146 3.172,1147 27.985,1148 2.017,1149 16.752,1150 20.075,1151 18.826,1152 34.093,1153 15.476,1154 4163,1155 6606,1156 15.197,1157 25.443,1158 32.645,1159 35.185,1160 32.395,1161 32.192,1162 32.17,1163 41.009,1164 11.422,1165 86.774,1166 30.62,1167 5.314,1168 6.714,1169 6.124,1170 5.076,1171 5.03,1172 6.735,1173 7.141,1174 16.26,1175 4.747,1176 5.283,1177 1.484,1178 1.599,1179 1.472,1180 1.463,1181 1.462,1182 1.864,1183 0.519,1184 3.944,1185 1.392,1186 3.949,1187 3.982,1188 4.088,1189 3.892,1190 7.431,1191 3.879,1192 3.866,1193 3.915,1194 3.834,1195 3.761,1196 4.796,1197 3.741,1198 3.685,1199 3.713,1200 3.626,1201 3.589,1202 4.603,1203 3.572,1204 3.34,1205 3.383,1206 3.277,1207 3.234,1208 4.337,1209 3.219,1210 2.886,1211 2.979,1212 2.898,1213 2.743,1214 4.111,1215 2.742,1216 2.869,1217 2.953,1218 2.761,1219 2.735,1220 3.686,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.671,1226 3.674,1227 2.635,1228 2.729,1229 2.785,1230 2.583,1231 2.498,1232 3.24,1233 2.514,1234 0.197,1235 0.214,1236 0.287,1237 0.179,1238 0.138,1239 4.341,1240 0.17,1241 4.714,1242 0.166,1243 6.322,1244 0.44,1245 3.933,1246 0.125,1247 3.03,1248 3.735,1249 3.66,1250 9.672,1251 2.747,1252 1.923,1253 1.897,1254 2.042,1255 1.994,1256 1.211,1257 2.013,1258 1.603,1259 1.585,1260 1.86,1261 1.758,1262 1.109,1263 1.793,1264 1.577,1265 1.507,1266 1.721,1267 1.751,1268 0.988,1269 1.739,1270 1.501,1271 1.435,1272 1.687,1273 1.69,1274 0.799,1275 1.71,1276 1.172,1277 1.147,1278 1.291,1279 1.383,1280 0.372,1281 1.353,1282 0.947,1283 0.91,1284 1.181,1285 1.083,1286 0.218,1287 1.123,1288 0.886,1289 0.821,1290 1.034,1291 1.062,1292 0.094,1293 1.107,1294 0.648,1295 0.601,1296 0.883,1297 0.815,1298 0.079,1299 0.861,1300 3.807,1302 5.081,1303 3.045,1304 6.532,1305 5.283,1306 8.061,1307 7.273,1308 9.632,1315 4.431,1319 1.487,1321 2.199,1326 23.632,1327 56.117,1328 117.753,1329 142.998,1330 155.362,1331 158.117,1332 158.117,1333 25.561,1334 6.463,1335 33.2,1336 61.44,1337 16,1338 11.966,1339 3.459,1340 3,1341 30.187,1342 68,1343 62,1344 0.214,1345 150.292,1346 268.2,1347 358.472,1348 5081,1350 13.786,1351 0.689,1352 0.599,1353 14.14,1354 11.975,1355 9.826,1356 0.447,1357 0.347,1358 6.834,1359 9.175,1360 6.624,1361 5.5,1362 10.235,1363 7.637,1364 8.448,1365 0.291,1366 0.2,1367 9.091,1368 5.806,1369 7.063,1370 0.191,1371 0.118,1372 7.919,1373 4.384,1374 5.748,1375 0.125,1376 0.069,1377 6.631,1378 3.183,1379 3.943,1380 0.082,1381 0.038,1382 4.637,1383 1.808,1384 0.34,1385 64.602,1386 0.257,1387 20.393,1388 0.569,1389 102,1390 275.886,1391 135.474,1392 291.959,1393 400.89,1394 274,1395 117,1396 278.013,1397 148.206,1398 299.135,1399 438.57,1400 282,1401 6.796}
{0 CHEMBL1352900,1 1.393,2 9,3 3.071,4 9.433,5 82.339,6 8.252,7 0.708,8 3.631,9 3.744,10 3.31,11 3.28,12 4.814,13 3.267,14 4.078,15 4.214,16 3.64,17 3.647,18 5.22,19 3.619,20 4.271,21 4.466,22 3.641,23 3.689,24 5.349,25 3.638,26 4.212,27 4.422,28 3.479,29 3.537,30 5.269,31 3.475,32 4.042,33 4.28,34 3.163,35 3.257,36 5.069,37 3.187,38 3.857,39 4.102,40 3.014,41 3.115,42 4.873,43 3.043,44 3.708,45 3.932,46 3.007,47 3.104,48 4.718,49 3.043,50 3.656,51 3.836,52 3.008,53 3.151,54 4.697,55 3.081,56 0.038,57 0.496,58 5.158,59 2.5,60 5.672,61 3.064,62 0.059,63 0.779,64 8.713,65 3.996,66 9.576,67 4.925,68 0.135,69 0.948,70 12.914,71 5.197,72 17.314,73 6.698,74 0.101,75 0.892,76 12.628,77 4.932,78 15.352,79 6.405,80 0.125,81 0.768,82 11.47,83 3.84,84 17.483,85 4.836,86 0.128,87 0.627,88 9.874,89 3.424,90 15.544,91 4.463,92 0.074,93 0.516,94 8.166,95 3.118,96 10.745,97 4.114,98 0.04,99 0.48,100 6.661,101 2.955,102 7.625,103 3.825,105 33,106 0.251,107 0.535,108 0.718,109 0.863,110 0.9,111 0.911,112 3.103,113 0.841,114 -4.31,115 -4.25,116 -4.01,120 51.5,143 9,144 3,145 1,146 1,147 1,156 1,159 1,170 1,174 11,177 5,180 1,182 1,185 12,188 2,189 6,194 2,197 9,201 6,204 1,206 4,209 5,214 4,219 4,222 2,226 1,227 5,232 1,235 1,240 3,247 3,252 4,260 6,264 3,271 8,274 550,275 14.845,276 14.845,277 14.845,278 14.845,279 14.845,280 12.487,281 9.197,282 8.99,283 15.029,284 11.909,285 11.909,286 11.909,287 11.909,288 11.909,289 8.419,290 11.02,291 4.289,292 12.212,293 3.652,294 2.078,295 1.069,296 0.265,297 0.061,299 3.813,305 1,306 1,307 1,308 429,309 2.449,312 34.363,313 145.689,316 128.668,317 70.24,318 81.264,320 1.238,321 9.699,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44,333 189,334 4.713,335 3.427,336 6.939,337 4.266,338 3.282,339 4.648,340 0.849,341 11.748,342 3.23,343 3.95,344 2.667,345 5.783,346 3.494,347 2.53,348 3.511,350 7.787,351 2.437,352 3.833,353 2.551,354 5.339,355 3.378,356 2.405,357 3.302,359 6.962,360 2.339,361 3.469,362 2.163,363 5.203,364 3.047,365 2.067,366 2.853,368 6.209,369 2.024,370 3.14,371 1.848,372 4.637,373 2.638,374 1.664,375 2.341,377 4.557,378 1.617,379 2.97,380 1.621,381 3.843,382 2.459,383 1.478,384 2.129,386 3.221,387 1.448,388 2.762,389 1.286,390 3.662,391 2.269,392 1.27,393 1.887,395 2.964,396 1.268,397 2.562,398 1.235,399 3.503,400 2.103,401 1.115,402 1.573,404 2.552,405 1.1,406 2.558,407 1.175,408 3.31,409 1.959,410 1,411 1.5,413 2.186,414 0.957,415 2.5,416 1,417 3.247,418 1.904,419 0.953,420 1.428,422 2.136,423 0.904,424 1.397,425 0.333,426 2.726,427 0.982,428 0.028,429 0.036,431 0.07,432 0.027,433 1.142,434 -0.178,435 2.541,436 0.768,437 -0.221,438 -0.291,440 -0.535,441 -0.219,442 0.912,443 -0.54,444 2.275,445 0.413,446 -0.581,447 -0.829,449 -1.54,450 -0.576,451 0.724,452 -0.598,453 2.256,454 0.232,455 -0.73,456 -1.013,458 -1.678,459 -0.701,460 0.565,461 -0.81,462 2.106,463 0.018,464 -0.958,465 -1.456,467 -2.347,468 -0.934,469 10.1,470 0.481,471 0.342,472 0.016,473 33,474 1.571,475 19.5,476 0.929,477 13.5,478 0.643,479 11.244,480 0.535,481 19.9,482 0.603,483 20.202,484 0.962,485 6.673,486 0.318,487 3.743,488 0.178,491 0.297,496 0.741,497 0.975,498 0.676,499 0.829,500 0.784,501 0.762,502 0.923,503 1.103,504 0.865,505 0.985,506 0.952,507 0.932,508 1.002,509 0.996,510 0.93,511 0.944,512 0.946,513 0.932,514 1.129,515 1.259,516 1.037,517 1.135,518 0.959,519 1.087,520 1.777,521 1.206,522 1.255,523 1.045,524 1.498,525 1.077,526 1.416,527 0.9,528 1.066,529 0.847,530 1.166,531 0.899,532 1.119,533 0.788,534 0.828,535 0.704,536 1.043,537 0.725,538 0.872,539 0.939,540 0.982,541 0.995,542 0.967,543 1.001,544 2.5,545 0.027,546 1.778,547 1.479,548 0.573,549 0.285,550 0.191,551 0.169,552 0.122,553 0.06,554 4961,555 12373,556 2.246,557 36.4,559 9,561 2,562 1,567 1.627,568 2.211,569 3.141,570 -0.338,572 1,574 1,575 45.959,576 1.393,577 2.966,578 3.975,579 4.779,580 4.984,581 5.044,582 2.489,583 3.975,584 4.366,585 3.292,586 691.356,587 7.456,588 7373.94,589 1,590 1,591 1,592 1,593 166.465,594 0.863,595 4.366,596 0.104,597 0.003,598 0.054,599 0.046,600 0.022,601 0.016,602 0.012,603 0.01,604 0.007,605 0.004,606 0.278,607 0.67,608 1,610 95.064,611 0.114,612 0.042,613 0.057,614 0.028,615 -0.03,616 0.034,617 -0.002,618 -0.09,619 -0.079,620 -0.112,621 -0.1,622 -0.107,623 0.067,624 0.013,625 0.001,626 -0.015,627 0.048,628 -0.015,629 0.013,630 -0.252,631 -0.06,632 -0.198,633 0.084,634 -0.15,635 -0.336,636 -0.133,637 -0.21,638 -0.121,639 -0.288,640 -0.144,641 -0.106,642 0.139,643 -0.004,644 0.116,645 -0.016,646 0.078,647 -0.114,648 0.188,649 0.178,650 0.285,651 0.008,652 0.271,653 -0.11,654 -0.001,655 -0.092,656 -0.032,657 -0.094,658 -0.054,659 0.894,660 1.599,661 0.857,662 15.438,663 0.998,664 1.111,665 3.08,666 9.485,667 0.729,668 3.219,669 3.526,670 3.85,671 4.174,672 4.407,673 4.443,674 4.585,675 4.727,676 4.745,677 4.745,678 5.471,679 0.703,680 272.33,681 3.219,682 4.745,683 5.609,684 6.494,685 7.378,686 8.275,687 9.169,688 10.072,689 10.974,690 11.882,691 12.1,693 1,700 2,701 1,708 2,709 10,710 1,714 3,716 17,738 33,739 19,740 2,741 24,743 36,744 17,745 15,746 4,747 6,748 2,752 4,753 8,755 1,768 17,772 2,780 1,781 2,782 1,785 1,786 1,789 12,790 4,791 1,792 4,797 4,799 1,803 0.5,816 1,822 1,823 3,826 2,827 1,828 1,855 2,862 21,871 1,893 9.5,894 6.017,895 4.611,896 1.924,898 4.285,899 1.588,900 1.068,901 2.807,902 11.568,903 3.57,904 4.205,905 4.883,906 5.555,907 6.146,908 6.449,909 6.928,910 7.376,911 7.694,912 7.926,913 0.833,914 32,915 7.683,917 3.268,918 7.571,919 14.79,921 12.2,924 2.071,925 43.5,926 0.001,929 129.482,930 119.554,931 68.122,936 119.554,937 129.482,938 68.122,941 103.174,942 51.703,943 56.341,945 105.94,947 129.482,948 187.676,952 129.482,956 63.141,957 98.702,958 25.833,960 129.482,961 68.122,962 119.554,965 129.482,966 16.173,967 103.381,968 17.888,969 50.234,970 129.482,971 68.122,972 119.554,973 0.57,974 0.34,975 0.2,976 0.108,977 18,978 6,979 0.083,980 3,981 3,982 1.278,983 3.52,984 166.105,985 0.333,986 17,987 90.239,993 11.951,994 4.932,995 2.12,996 2.37,997 68.122,998 19.765,999 4.192,1003 2.874,1005 17.888,1006 317.158,1007 34.5,1015 1.686,1016 8.824,1017 0.772,1020 32.942,1021 36.654,1022 0.276,1023 0.588,1024 0.788,1025 0.947,1026 0.988,1027 1,1028 4.773,1029 1.115,1030 5.565,1031 2.964,1032 4.205,1033 4.89,1034 0.892,1035 6.382,1036 4.157,1037 5.985,1038 1,1039 7.111,1040 2.552,1041 3.611,1042 4.543,1044 7.302,1045 3.546,1046 7.289,1047 0.953,1048 8.767,1049 2.186,1050 5.778,1051 7.156,1052 0.711,1053 10.476,1054 5.687,1055 8.638,1056 0.028,1057 10.494,1058 2.136,1059 6.111,1060 7.761,1062 12.346,1063 6.007,1064 10.025,1065 -0.221,1066 12.269,1067 0.07,1068 7.681,1069 9.753,1070 0.558,1071 15.027,1072 7.557,1073 11.443,1074 -0.581,1075 14.08,1076 -0.535,1077 8.474,1078 10.843,1080 17.272,1081 8.339,1082 12.885,1083 -0.73,1084 15.917,1085 -1.54,1086 9.797,1087 12.564,1088 0.43,1089 19.802,1090 9.645,1091 3.282,1092 -0.958,1093 17.773,1094 -1.678,1095 10.808,1096 13.895,1098 22.188,1099 10.646,1100 2.53,1101 11.748,1102 19.646,1103 -2.347,1104 12.036,1105 15.501,1106 0.327,1107 24.672,1108 11.859,1109 2.405,1110 7.787,1111 21.531,1112 4.648,1113 13.146,1114 16.945,1116 27.108,1117 12.957,1118 2.067,1119 6.962,1120 23.426,1121 3.511,1122 14.342,1123 18.506,1124 0.246,1125 29.578,1126 14.139,1127 1.664,1128 6.209,1129 25.329,1130 3.302,1131 15.495,1132 20.001,1134 32.031,1135 15.279,1136 1.478,1137 4.557,1138 27.239,1139 2.853,1140 16.682,1141 21.545,1142 0.183,1143 34.497,1144 16.451,1145 1.27,1146 3.221,1147 29.154,1148 2.341,1149 17.854,1150 23.062,1152 36.957,1153 17.609,1154 4572,1155 7330,1156 16.989,1157 24.068,1158 36.165,1159 36.228,1160 35.931,1161 35.549,1162 35.585,1163 50.414,1164 1.697,1165 100.782,1166 34.702,1167 5.5,1168 5.427,1169 6.741,1170 5.309,1171 5.282,1172 7.648,1173 1.697,1174 18.907,1175 5.23,1177 1.507,1178 1.509,1179 1.497,1180 1.481,1181 1.483,1182 2.101,1183 0.071,1184 4.199,1185 1.446,1186 4.143,1187 4.165,1188 4.114,1189 4.093,1190 5.049,1191 4.095,1192 3.873,1193 3.917,1194 3.815,1195 3.762,1196 4.924,1197 3.769,1198 3.473,1199 3.54,1200 3.411,1201 3.372,1202 4.614,1203 3.363,1204 3.427,1205 3.475,1206 3.334,1207 3.263,1208 4.326,1209 3.285,1210 3.193,1211 3.25,1212 3.117,1213 3.041,1214 4.253,1215 3.052,1216 2.794,1217 2.873,1218 2.645,1219 2.625,1220 3.829,1221 2.622,1222 2.712,1223 2.794,1224 2.59,1225 2.583,1226 3.603,1227 2.57,1228 2.649,1229 2.716,1230 2.534,1231 2.447,1232 3.456,1233 2.468,1234 0.196,1235 0.143,1236 0.289,1237 0.178,1238 0.137,1239 4.713,1240 0.194,1241 3.427,1242 0.035,1243 6.939,1244 0.489,1245 4.266,1246 0.135,1247 3.282,1248 4.648,1249 0.849,1250 11.748,1251 3.23,1252 2.039,1253 2.024,1254 2.113,1255 2.084,1256 1.276,1257 2.095,1258 1.836,1259 1.797,1260 1.951,1261 1.974,1262 0.954,1263 1.969,1264 1.577,1265 1.536,1266 1.704,1267 1.743,1268 0.749,1269 1.726,1270 1.271,1271 1.201,1272 1.438,1273 1.51,1274 0.395,1275 1.504,1276 1.023,1277 0.979,1278 1.195,1279 1.197,1280 0.309,1281 1.199,1282 0.961,1283 0.914,1284 1.133,1285 1.085,1286 0.173,1287 1.107,1288 0.772,1289 0.695,1290 1.057,1291 0.999,1292 0.055,1293 1.026,1294 0.685,1295 0.635,1296 0.912,1297 0.829,1298 0.045,1299 0.86,1300 3.892,1302 5.198,1303 2.398,1304 6.72,1305 4.844,1306 8.344,1307 7.066,1308 10.024,1317 3.016,1326 23.193,1327 45.959,1328 97.882,1329 131.181,1330 157.71,1331 164.465,1332 166.465,1333 19.552,1334 7.283,1335 50.17,1336 50.17,1337 23,1338 12.4,1339 4.322,1340 3.524,1341 28.181,1342 68,1343 69,1344 0.202,1345 142.17,1346 238.12,1347 338.654,1348 14442,1350 14.071,1351 0.67,1352 0.533,1353 14.071,1354 11.192,1355 10.416,1356 0.434,1357 0.28,1358 6.663,1359 10.147,1360 6.535,1361 5.431,1362 10.416,1363 6.726,1364 9.054,1365 0.274,1366 0.144,1367 9.054,1368 4.766,1369 7.968,1370 0.173,1371 0.074,1372 7.968,1373 3.425,1374 7.121,1375 0.111,1376 0.039,1377 7.121,1378 2.489,1379 5.919,1380 0.073,1381 0.021,1382 5.919,1383 1.682,1384 0.315,1385 64.311,1386 0.243,1387 20.914,1388 0.552,1389 114,1390 299.268,1391 120.938,1392 302.405,1393 431.76,1394 286,1395 136,1396 335.381,1397 143.632,1398 343.265,1399 501.46,1400 325,1401 5.495}
{0 CHEMBL1352919,1 1.506,2 9.048,3 3.842,4 14.763,5 83.855,6 7.459,7 0.261,8 3.79,9 3.904,10 3.36,11 3.389,12 4.761,13 3.334,14 4.406,15 4.582,16 3.714,17 3.83,18 5.333,19 3.74,20 4.719,21 4.947,22 3.837,23 3.952,24 5.733,25 3.843,26 4.707,27 4.936,28 3.737,29 3.872,30 5.76,31 3.763,32 4.61,33 4.843,34 3.61,35 3.777,36 5.634,37 3.65,38 4.493,39 4.722,40 3.468,41 3.707,42 5.427,43 3.554,44 4.456,45 4.73,46 3.243,47 3.585,48 5.242,49 3.378,50 4.209,51 4.505,52 2.915,53 3.259,54 5.19,55 3.041,56 0.005,57 0.549,58 8.552,59 4.156,60 3.436,61 5.525,62 0.135,63 0.954,64 19.132,65 7.546,66 15.832,67 10.248,68 0.27,69 1.219,70 27.088,71 9.888,72 46.185,73 13.513,74 0.287,75 1.159,76 26.907,77 9.356,78 52.788,79 12.522,80 0.296,81 1.016,82 26.714,83 8.821,84 52.232,85 11.686,86 0.259,87 0.926,88 22.629,89 8.163,90 37.979,91 10.973,92 0.217,93 0.86,94 23.965,95 8.1,96 28.396,97 11.293,98 0.232,99 0.638,100 19.207,101 6.458,102 49.715,103 9.003,104 12,105 32,106 0.27,107 0.555,108 0.738,109 0.813,110 0.837,111 0.837,112 3.104,113 1.079,114 -4.53,115 -4.45,116 -4.19,120 41.5,122 6,123 1,126 2,143 3,144 2,145 1,158 1,159 1,174 11,176 1,177 6,185 11,189 9,197 8,201 10,209 6,214 5,222 10,226 1,227 1,235 12,240 1,247 9,251 1,252 1,260 4,264 3,271 2,274 520,275 14.353,276 14.353,277 14.353,278 14.353,279 14.353,280 13.456,281 14.945,282 8.408,283 14.464,284 11.255,285 11.255,286 11.255,287 11.255,288 11.255,289 9.653,290 15.476,291 3.878,292 11.439,293 3.852,294 2.259,295 1.237,296 0.817,297 0.683,298 0.683,299 3.782,300 1,305 1,306 1,307 1,308 404,309 3.082,312 43.686,313 116.126,316 79.913,320 1.578,321 23.665,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 44.833,333 190,334 4.456,335 3.861,336 6.767,337 4.17,338 3.199,339 4.039,340 1.94,341 11.042,342 3.109,343 4.089,344 3.639,345 6.132,346 3.82,347 2.81,348 3.4,349 1.641,350 8.91,351 2.829,352 3.799,353 3.09,354 5.91,355 3.564,356 2.558,357 3.035,358 0.555,359 8.116,360 2.564,361 3.105,362 2.263,363 5.116,364 2.943,365 1.955,366 2.156,368 5.78,369 1.923,370 2.902,371 2.073,372 4.326,373 2.524,374 1.529,375 2.02,377 3.929,378 1.518,379 2.789,380 1.906,381 4.115,382 2.483,383 1.494,384 1.808,386 3.517,387 1.459,388 2.375,389 1.81,390 3.811,391 2.194,392 1.222,393 1.359,395 3.028,396 1.169,397 2.07,398 1.406,399 3.36,400 2,401 1,402 1,404 2.136,405 1,406 2,407 1.381,408 3.247,409 1.831,410 0.815,411 0.939,413 1.954,414 0.822,415 1.735,416 1,417 3.146,418 1.431,419 0.442,420 0.535,422 1.046,423 0.42,424 1.467,425 0.706,426 2.585,427 0.909,428 0.167,429 0.2,431 0.233,432 0.096,433 0.762,434 -0.017,435 2.277,436 0.34,437 -0.674,438 -0.768,440 -1.598,441 -0.669,442 0.607,443 -0.13,444 2.129,445 0.28,446 -0.744,447 -0.93,449 -1.765,450 -0.748,451 0.389,452 -0.576,453 2,454 0.205,455 -0.809,456 -1,458 -2.296,459 -0.828,461 -0.599,462 1.656,464 -1,465 -1.064,467 -2.347,468 -1,469 10.281,470 0.49,471 0.469,472 0.022,473 22.5,474 1.071,475 9.5,476 0.452,477 13,478 0.619,479 19.675,480 0.937,481 23.319,482 0.569,483 14.086,484 0.671,485 3.702,486 0.176,487 6.5,488 0.31,489 0.134,491 0.331,496 0.528,497 1.284,498 0.65,499 1.031,500 0.461,501 0.991,502 0.622,503 1.175,504 0.894,505 1.085,506 0.535,507 1.053,508 0.763,509 1.078,510 0.669,511 0.965,512 0.778,513 0.95,514 1.256,515 1.033,516 0.786,517 0.908,518 1.327,519 0.949,520 1.305,521 0.938,522 0.985,523 0.913,524 1.336,525 0.945,526 0.977,527 1.038,528 0.948,529 1.019,530 1.063,531 1.087,532 0.623,533 0.981,534 0.966,535 1.058,536 0.575,537 1.072,538 0.452,539 0.864,540 0.852,541 0.946,542 0.418,543 0.923,544 3.5,545 0.037,546 2.889,547 1.569,548 1.124,549 0.667,550 0.363,551 0.218,552 0.156,553 0.07,554 4190,555 11089,556 2.074,557 48.8,558 10,559 7,563 1,564 2,567 1.631,568 1.938,569 3.164,570 -0.797,572 1,574 1,575 61.734,576 1.506,577 3.099,578 4.12,579 4.54,580 4.675,581 4.675,582 2.684,583 4.011,584 4.359,585 3.273,586 687.43,587 7.47,588 7119.04,590 1,592 1,593 219.66,594 1.418,595 4.322,596 0.152,597 0.005,598 0.09,599 0.048,600 0.039,601 0.027,602 0.017,603 0.015,604 0.014,605 0.008,606 0.415,607 0.67,608 1,609 1.029,610 94.199,611 0.002,612 -0.088,613 0.026,614 -0.007,615 0.016,616 0.018,617 0.04,618 -0.061,619 -0.071,620 -0.091,621 0.013,622 -0.063,623 0.073,624 -0.051,625 0.081,626 -0.027,627 0.079,628 0.013,629 -0.127,630 -0.021,631 -0.005,632 0.007,633 -0.089,634 -0.018,635 -0.154,636 0.038,637 -0.05,638 0.036,639 -0.111,640 0.005,641 -0.048,642 -0.051,643 -0.084,644 -0.057,645 -0.09,646 -0.118,647 0.046,648 -0.048,649 -0.013,650 -0.084,651 0.001,652 -0.073,653 0.26,654 0.005,655 0.112,656 0.027,657 0.273,658 0.083,659 1.725,660 5.676,661 0.714,662 16.966,663 0.998,664 1.122,665 3.297,666 10.868,667 0.668,668 3.178,669 3.497,670 3.807,671 4.043,672 4.234,673 4.317,674 4.477,675 4.543,676 4.454,677 4.407,678 5.25,679 0.623,680 305.83,681 3.178,682 4.71,683 5.572,684 6.45,685 7.332,686 8.22,687 9.11,688 10.003,689 10.897,690 11.794,691 2.4,698 1,709 3,714 3,716 6,721 1,738 41,739 8,740 1,741 23,743 43,744 17,745 6,746 3,747 3,748 1,750 1,752 3,753 4,754 1,759 1,763 6,764 1,766 6,768 8,769 9,770 1,772 2,778 2,782 2,786 1,789 20,790 3,792 4,793 1,797 1,803 0.667,804 2,822 1,823 2,826 1,839 1,855 2,860 1,862 21,869 8,874 1,875 1,885 1,886 4.9,889 2,893 10.833,894 7.26,895 4.722,896 2.841,898 1.35,899 1.199,900 0.967,901 4.416,902 8.15,903 3.367,904 3.861,905 4.385,906 4.839,907 5.304,908 5.548,909 5.877,910 6.018,911 5.887,912 5.938,913 1,914 33,915 7.865,917 3.421,918 7.775,919 15.349,921 13.235,924 2.275,925 47.778,926 0.001,929 235.422,930 67.557,931 3.124,932 39.149,933 50.29,936 67.557,937 324.861,938 3.124,940 23.287,941 28.429,942 60.128,943 9.128,945 274.571,947 235.422,948 70.682,949 50.29,950 39.149,952 211.88,953 73.832,956 23.287,957 47.395,958 39.149,960 235.422,961 53.414,962 106.706,965 235.422,966 39.128,967 31.553,969 89.438,970 235.422,971 53.414,972 106.706,973 0.578,974 0.355,975 0.185,976 0.096,977 16,978 7,979 0.047,980 2,981 1,982 1.133,983 3.313,984 162.498,985 0.133,986 15,987 88.239,993 14.743,994 6.291,995 2.903,997 53.414,998 5.59,1003 2.725,1006 395.542,1007 28,1013 24.339,1017 0.21,1020 40.916,1021 46.013,1022 0.281,1023 0.578,1024 0.769,1025 0.847,1026 0.873,1027 0.873,1028 4.62,1029 1,1030 5.557,1031 3.028,1032 4.174,1033 4.543,1034 2.571,1035 6.389,1036 4.147,1037 5.785,1038 0.815,1039 7.133,1040 2.136,1041 3.761,1042 4.35,1043 1.668,1044 7.353,1045 3.748,1046 7.082,1047 0.442,1048 8.814,1049 1.954,1050 5.784,1051 6.602,1052 3.525,1053 10.471,1054 5.731,1055 8.417,1056 0.167,1057 10.557,1058 1.046,1059 6.236,1060 7.256,1061 3.13,1062 12.27,1063 6.18,1064 9.789,1065 -0.674,1066 12.339,1067 0.233,1068 7.708,1069 9,1070 4.618,1071 14.903,1072 7.624,1073 11.185,1074 -0.744,1075 14.147,1076 -1.598,1077 8.539,1078 10.016,1079 4.539,1080 17.031,1081 8.437,1082 12.598,1083 -0.809,1084 15.972,1085 -1.765,1086 9.8,1087 11.567,1088 5.776,1089 19.503,1090 9.675,1091 3.199,1092 -1,1093 17.811,1094 -2.296,1095 10.801,1096 12.755,1097 5.912,1098 21.773,1099 10.649,1100 2.81,1101 11.042,1102 19.661,1103 -2.347,1104 11.981,1105 14.223,1106 6.977,1107 24.191,1108 11.805,1109 2.558,1110 8.91,1111 21.517,1112 4.039,1113 13.059,1114 15.498,1115 7.263,1116 26.526,1117 12.852,1118 1.955,1119 8.116,1120 23.381,1121 3.4,1122 14.211,1123 16.927,1124 8.209,1125 28.926,1126 13.977,1127 1.529,1128 5.78,1129 25.25,1130 3.035,1131 15.325,1132 18.252,1133 8.602,1134 31.293,1135 15.059,1136 1.494,1137 3.929,1138 27.123,1139 2.156,1140 16.471,1141 19.662,1142 9.465,1143 33.689,1144 16.174,1145 1.222,1146 3.517,1147 29,1148 2.02,1149 17.602,1150 21.016,1151 9.936,1152 36.072,1153 17.273,1154 4138,1155 6846,1156 15.315,1157 27.387,1158 34.791,1159 37.088,1160 36.208,1161 34.355,1162 34.379,1163 40.984,1164 8.274,1165 99.383,1166 33.82,1167 5.456,1168 5.861,1169 6.569,1170 5.178,1171 5.199,1172 7.039,1173 3.581,1174 18.434,1175 5.109,1176 9.701,1177 1.513,1178 1.613,1179 1.574,1180 1.494,1181 1.495,1182 1.782,1183 0.36,1184 4.321,1185 1.47,1186 4.044,1187 4.076,1188 4.007,1189 3.958,1190 7.429,1191 3.961,1192 3.859,1193 3.907,1194 3.792,1195 3.758,1196 7.425,1197 3.745,1198 3.588,1199 3.62,1200 3.701,1201 3.433,1202 4.727,1203 3.439,1204 3.311,1205 3.346,1206 3.356,1207 3.143,1208 4.634,1209 3.141,1210 3.213,1211 3.274,1212 3.109,1213 3.067,1214 4.233,1215 3.053,1216 3.111,1217 3.206,1218 2.888,1219 2.941,1220 3.974,1221 2.91,1222 2.882,1223 2.955,1224 2.866,1225 2.734,1226 3.655,1227 2.718,1228 2.684,1229 2.737,1230 2.659,1231 2.431,1232 3.474,1233 2.437,1234 0.194,1235 0.168,1236 0.294,1237 0.181,1238 0.139,1239 4.456,1240 0.176,1241 3.861,1242 0.084,1243 6.767,1244 0.48,1245 4.17,1246 0.135,1247 3.199,1248 4.039,1249 1.94,1250 11.042,1251 3.109,1252 1.923,1253 1.902,1254 2.1,1255 2.041,1256 1.486,1257 2.06,1258 1.875,1259 1.829,1260 1.999,1261 1.978,1262 1.199,1263 1.988,1264 1.502,1265 1.437,1266 1.739,1267 1.723,1268 1.015,1269 1.73,1270 1.385,1271 1.361,1272 1.536,1273 1.569,1274 0.826,1275 1.574,1276 1.204,1277 1.148,1278 1.513,1279 1.406,1280 0.825,1281 1.434,1282 1.153,1283 1.064,1284 1.469,1285 1.376,1286 0.71,1287 1.429,1288 0.875,1289 0.808,1290 1.142,1291 1.101,1292 0.311,1293 1.123,1294 0.76,1295 0.695,1296 1.043,1297 0.95,1298 0.149,1299 0.993,1300 3.85,1302 5.165,1303 2.398,1304 6.688,1305 4.727,1306 8.3,1307 6.843,1308 9.957,1311 5.604,1315 7.204,1320 0.189,1321 1.917,1326 25.547,1327 61.734,1328 127.053,1329 168.931,1330 186.15,1331 191.66,1332 191.66,1333 41.586,1334 6.8,1335 37.38,1336 37.38,1337 17,1338 12.319,1339 3.17,1340 2.585,1341 32.197,1342 66,1343 67,1344 0.25,1345 160.143,1346 285.27,1347 382.508,1348 7070,1349 2.4,1350 14.82,1351 0.706,1352 0.613,1353 15.32,1354 12.864,1355 10.203,1356 0.444,1357 0.36,1358 7.728,1359 9.663,1360 7.523,1361 6.171,1362 10.556,1363 8.274,1364 8.881,1365 0.278,1366 0.195,1367 9.085,1368 6.242,1369 8.02,1370 0.182,1371 0.111,1372 8.342,1373 4.882,1374 6.352,1375 0.113,1376 0.064,1377 6.519,1378 3.606,1379 4.921,1380 0.072,1381 0.037,1382 5.028,1383 2.522,1384 0.384,1385 66.797,1386 0.256,1387 20.671,1388 0.71,1389 110,1390 299.32,1391 128.682,1392 314.618,1393 411.71,1394 294,1395 131,1396 268.225,1397 147.105,1398 276.673,1399 409.41,1400 261,1401 5.387}
{0 CHEMBL1353825,1 1.845,2 5.533,3 2.133,4 4.549,5 61.527,6 9.973,7 0.688,8 3.295,9 3.345,10 3.487,11 3.099,12 4.398,13 2.964,14 3.789,15 3.876,16 3.675,17 3.395,18 5.267,19 3.292,20 3.891,21 3.999,22 3.648,23 3.45,24 5.194,25 3.345,26 4.013,27 4.142,28 3.608,29 3.381,30 5.481,31 3.264,32 3.759,33 3.879,34 3.311,35 3.195,36 5.156,37 3.043,38 3.667,39 3.886,40 2.499,41 2.774,42 4.868,43 2.563,44 3.056,45 3.326,46 1.251,47 2.112,48 3.909,49 1.824,50 2.546,51 2.942,52 0.337,53 1.342,54 2.89,55 0.985,56 0.062,57 0.335,58 7.369,59 3.154,60 11.915,61 2.508,62 0.216,63 0.546,64 11.438,65 4.856,66 36.559,67 4.263,68 0.129,69 0.615,70 12.453,71 5.239,72 16.459,73 4.872,74 0.397,75 0.678,76 13.053,77 5.457,78 63.783,79 4.306,80 0.153,81 0.514,82 11.563,83 4.927,84 17.96,85 4.303,86 0.263,87 0.477,88 14.351,89 4.742,90 42.277,91 4.154,92 0.099,93 0.239,94 6.455,95 2.44,96 15.091,97 2.848,98 0.059,99 0.146,100 5.518,101 1.663,102 8.855,103 2.28,104 12,105 23,106 0.367,107 0.632,108 0.744,109 0.84,110 0.857,111 0.857,112 2.798,113 1.41,114 -2.8,115 -2.81,116 -2.72,120 41.7,125 1,143 5,144 1,145 1,146 1,147 1,174 5,176 1,177 2,185 4,189 5,197 3,200 2,201 5,209 2,214 4,222 1,227 2,274 199,275 9.947,276 9.947,277 9.947,278 9.947,279 9.947,280 8.397,281 2.741,282 5.717,283 10.163,284 7.792,285 7.792,286 7.792,287 7.792,288 7.792,289 5.385,290 1.157,291 2.577,292 8.192,293 2.74,294 1.411,295 0.849,296 0.365,297 0.281,298 0.281,299 3.439,306 1,307 1,308 170,309 2.915,313 63.397,317 54.669,320 0.764,321 21.157,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 32.5,333 83,334 4.91,335 4.736,336 7.416,337 4.365,338 3.445,339 4.833,341 12.936,342 3.148,343 4.282,344 3.208,345 6.22,346 3.737,347 2.76,348 4.132,350 9.146,351 2.684,352 3.226,353 2.759,354 4.938,355 2.707,356 1.719,357 2.558,359 5.156,360 1.696,361 3.118,362 1.653,363 4.143,364 2.586,365 1.618,366 2.427,368 3.672,369 1.563,370 2.761,371 1.618,372 3.6,373 2.251,374 1.262,375 1.891,377 2.799,378 1.247,379 2.244,380 1.262,381 3.402,382 1.723,383 0.775,384 1.115,386 1.81,387 0.728,388 1.538,389 0.869,390 3,391 1.174,392 0.368,393 0.412,395 0.497,396 0.287,397 1.043,398 0.136,399 2.577,400 0.52,401 -0.441,402 -0.64,404 -1.116,405 -0.417,406 1,407 -0.618,408 2.29,409 0.36,410 -0.618,411 -0.927,413 -1.478,414 -0.603,415 0.882,416 -0.74,417 2,419 -1,420 -1.454,422 -2.448,423 -0.955,424 0.484,425 -1,426 2,427 -0.03,428 -1,429 -1.681,431 -3,432 -1,433 -0.067,434 -1.163,435 1.791,436 -0.526,437 -1.448,438 -2,440 -4.187,441 -1.337,442 -0.221,443 -1.192,444 1.178,445 -0.617,446 -1.577,447 -2.166,449 -4.497,450 -1.469,451 -0.5,452 -1.628,453 0.633,454 -1,455 -1.86,456 -2.499,458 -5.288,459 -1.632,460 -0.5,461 -2,462 0.5,463 -1.007,464 -2,465 -3,467 -6.159,468 -1.94,469 7.733,470 0.516,471 0.437,472 0.029,473 22,474 1.467,475 13,476 0.867,477 9,478 0.6,479 9.188,480 0.613,481 15.667,482 0.653,483 12.913,484 0.861,485 3.779,486 0.252,487 3.37,488 0.225,489 0.151,490 0.108,491 0.194,496 0.368,497 1.03,498 0.608,499 0.935,500 0.655,501 0.82,502 0.594,503 1.076,504 1.006,505 1.124,506 0.611,507 0.879,508 0.835,509 1.198,510 1.044,511 1.123,512 0.732,513 0.946,514 1.648,515 0.861,516 1.048,517 0.84,518 1.698,519 0.923,520 1.221,521 1.223,522 1.276,523 1.278,524 1.135,525 1.249,526 1.549,527 0.868,528 1.27,529 1.01,530 1.462,531 1.159,532 0.712,533 0.998,534 0.858,535 0.933,536 0.754,537 1.376,538 0.044,539 0.463,540 0.234,541 0.372,542 0.058,543 0.621,544 3.5,546 2.444,547 1.313,548 0.893,549 0.403,550 0.18,551 0.028,554 1342,555 4989,556 1.977,557 37.5,559 8,561 1,567 1.54,568 1.818,569 2.522,570 -0.651,574 1,575 44.29,576 1.845,577 3.174,578 3.736,579 4.22,580 4.304,581 4.304,582 1.832,583 3.64,584 3.884,585 2.537,586 266.363,587 6.547,588 2173.54,590 1,592 1,593 110.039,594 1.673,595 3.804,596 0.219,598 0.106,599 0.055,600 0.045,601 0.027,602 0.03,603 0.028,606 0.509,607 0.83,608 1,609 1.246,610 56.608,611 0.167,612 -0.041,613 0.385,614 0.079,615 -0.163,616 0.051,617 0.257,618 -0.078,619 -0.004,620 -0.119,621 0.223,622 0.014,623 -0.041,624 -0.213,625 -0.096,626 -0.162,627 0.048,628 -0.044,629 -0.221,630 0.153,631 -0.132,632 0.088,633 -0.222,634 -0.061,635 -0.178,636 -0.282,637 -0.259,638 -0.267,639 -0.041,640 -0.316,641 -0.349,642 0.082,643 -0.277,644 -0.044,645 -0.247,646 -0.126,647 -0.021,648 -0.201,649 -0.075,650 -0.13,651 -0.093,652 -0.266,653 0.395,654 0.335,655 0.656,656 0.473,657 0.263,658 0.739,659 4.187,660 4.738,661 0.667,662 6.48,663 1.018,664 1.101,665 1.57,666 2.465,667 0.761,668 2.833,669 3.178,670 3.434,671 3.638,672 3.829,673 3.689,674 3.689,675 3.555,676 3.367,677 2.773,678 3.497,679 0.706,680 239.34,681 2.833,682 4.369,683 5.22,684 6.116,685 6.991,686 7.89,687 8.772,688 9.67,689 10.555,690 11.452,691 4.2,701 1,708 2,709 6,710 1,714 1,716 11,738 24,739 13,740 1,741 16,743 25,744 10,745 9,746 3,747 3,752 2,753 3,768 9,769 1,772 2,776 1,778 2,786 1,789 9,790 3,792 5,793 2,797 1,803 0.5,804 2,816 1,823 2,827 1,855 1,857 2,859 1,862 15,867 1,873 1,886 8.3,889 2,893 8.25,894 4.617,895 3.347,896 1.228,898 2.558,899 1.44,900 0.998,901 2.677,902 8.378,903 3.199,904 3.902,905 4.483,906 5.091,907 5.68,908 5.883,909 6.273,910 6.517,911 6.735,912 6.314,913 0.75,914 24,915 5.699,916 -0.001,917 2.602,918 8.083,919 10.39,921 8.591,924 2.583,925 38.75,926 0.003,929 105.94,930 104.077,931 16.786,933 44.313,935 34.19,936 69.887,937 150.253,938 16.786,939 7.19,941 51.389,942 72.87,943 15.315,945 124.351,947 105.94,948 86.672,949 44.313,950 34.19,952 105.94,953 44.313,956 11.192,957 58.695,958 20.794,959 30.182,960 105.94,961 61.098,962 104.077,964 4.008,965 105.94,966 36.45,967 63.619,969 61.098,970 105.94,971 61.098,972 104.077,973 0.586,974 0.357,975 0.182,976 0.098,977 12,978 5,979 0.08,980 2,981 1,982 1.2,983 2.594,984 100.064,985 0.2,986 10,987 54.603,989 1,992 1,993 10.465,994 3.837,995 1.852,996 1.377,997 61.098,998 10.4,999 4.103,1003 0.285,1006 271.115,1007 23.5,1011 -3.271,1013 23.476,1020 24.444,1021 26.418,1022 0.402,1023 0.692,1024 0.815,1025 0.92,1026 0.939,1027 0.939,1028 4.416,1029 -0.441,1030 5.273,1031 0.497,1032 3.85,1033 4.585,1035 6.188,1036 3.748,1037 5.704,1038 -0.618,1039 6.915,1040 -1.116,1041 3.761,1042 4.844,1044 7.636,1045 3.561,1046 7.101,1047 -1,1048 8.685,1049 -1.478,1050 5.617,1051 7.075,1053 10.664,1054 5.371,1055 8.55,1056 -1,1057 10.531,1058 -2.448,1059 6.347,1060 8.125,1062 12.86,1063 5.971,1064 10.035,1065 -1.448,1066 12.425,1067 -3,1068 7.765,1069 9.911,1071 15.541,1072 7.342,1073 11.545,1074 -1.577,1075 14.348,1076 -4.187,1077 8.807,1078 11.265,1080 17.97,1081 8.256,1082 13.072,1083 -1.86,1084 16.291,1085 -4.497,1086 10.087,1087 12.902,1089 20.562,1090 9.472,1091 3.445,1092 -2,1093 18.247,1094 -5.288,1095 11.243,1096 14.376,1098 23.072,1099 10.511,1100 2.76,1101 12.936,1102 20.214,1103 -6.159,1104 12.483,1105 15.962,1107 25.638,1108 11.672,1109 1.719,1110 9.146,1111 22.187,1112 4.833,1113 13.683,1114 17.485,1116 28.178,1117 12.764,1118 1.618,1119 5.156,1120 24.166,1121 4.132,1122 14.913,1123 19.054,1125 30.739,1126 13.906,1127 1.262,1128 3.672,1129 26.15,1130 2.558,1131 16.131,1132 20.6,1134 33.29,1135 15.023,1136 0.775,1137 2.799,1138 28.137,1139 2.427,1140 17.36,1141 22.164,1143 35.849,1144 16.16,1145 0.368,1146 1.81,1147 30.126,1148 1.891,1149 18.587,1150 23.721,1152 38.406,1153 17.287,1154 1434,1155 2874,1156 10.227,1157 18.256,1158 23.598,1159 27.048,1160 25.189,1161 23.784,1162 23.889,1163 34.736,1165 72.032,1166 22.706,1167 5.611,1168 6.736,1169 7.105,1170 5.406,1171 5.445,1172 7.833,1174 20.778,1175 5.148,1176 7.157,1177 1.475,1178 1.691,1179 1.574,1180 1.487,1181 1.493,1182 2.171,1184 4.502,1185 1.419,1186 4.132,1187 4.127,1188 4.864,1189 4.151,1190 7.714,1191 4.068,1192 3.749,1193 3.693,1194 3.943,1195 3.769,1196 6.999,1197 3.638,1198 3.389,1199 3.427,1200 3.329,1201 3.303,1202 4.974,1203 3.277,1204 3.078,1205 3.159,1206 3.192,1207 2.944,1208 4.369,1209 2.869,1210 2.83,1211 2.88,1212 2.772,1213 2.656,1214 3.918,1215 2.642,1216 2.649,1217 2.703,1218 2.534,1219 2.547,1220 3.835,1221 2.538,1222 2.343,1223 2.434,1224 2.153,1225 2.143,1226 3.42,1227 2.127,1228 1.556,1229 1.756,1230 1.806,1231 1.251,1232 3.228,1233 1.104,1234 0.307,1235 0.296,1236 0.464,1237 0.273,1238 0.215,1239 4.91,1240 0.302,1241 4.736,1243 7.416,1244 0.809,1245 4.365,1246 0.197,1247 3.445,1248 4.833,1250 12.936,1251 3.148,1252 2.062,1253 2.06,1254 2.096,1255 2.123,1256 1.271,1257 2.139,1258 1.59,1259 1.637,1260 1.628,1261 1.654,1262 0.825,1263 1.73,1264 1.366,1265 1.338,1266 1.522,1267 1.489,1268 0.633,1269 1.545,1270 1.074,1271 1.003,1272 1.148,1273 1.303,1274 0.418,1275 1.359,1276 0.764,1277 0.719,1278 0.927,1279 0.983,1280 0.083,1281 1.001,1282 0.637,1283 0.599,1284 0.793,1285 0.806,1287 0.826,1288 0.347,1289 0.259,1290 0.426,1291 0.615,1293 0.666,1296 0.324,1297 0.088,1299 0.184,1300 3.497,1302 4.828,1304 6.392,1306 8.052,1308 9.76,1310 1.553,1319 0.827,1326 16.932,1327 44.29,1328 76.165,1329 89.675,1330 101.284,1331 103.284,1332 103.284,1333 26.535,1334 5.82,1335 47.03,1336 80.71,1337 12,1338 11.978,1339 3.807,1340 3.087,1341 23.314,1342 31,1343 29,1344 0.401,1345 114.319,1346 187.44,1347 270.698,1348 1874,1350 10.889,1351 0.726,1352 0.645,1353 11.492,1354 9.677,1355 7.149,1356 0.447,1357 0.47,1358 4.48,1359 5.783,1360 4.093,1361 3.427,1362 8.589,1363 7.518,1364 6.588,1365 0.286,1366 0.302,1367 8.893,1368 6.95,1369 5.49,1370 0.183,1371 0.175,1372 7.507,1373 5.247,1374 4.171,1375 0.113,1376 0.085,1377 5.335,1378 3.142,1379 3.423,1380 0.076,1381 0.049,1382 4.452,1383 2.188,1384 0.572,1385 57.863,1386 0.313,1387 14.6,1388 1.284,1389 78,1390 264.837,1391 144.523,1392 297.401,1393 396.91,1394 272,1395 92,1396 242.05,1397 169.094,1398 298.347,1399 434.07,1400 277,1401 4.718}
{0 CHEMBL1355233,1 1.945,2 9.286,3 2.378,4 5.656,5 107.38,6 9.867,7 0.533,8 3.902,9 4.01,10 3.678,11 3.436,12 5.22,13 3.445,14 4.39,15 4.517,16 4.098,17 3.848,18 5.773,19 3.846,20 4.668,21 4.83,22 4.299,23 3.996,24 6.037,25 3.991,26 4.764,27 4.921,28 4.329,29 3.988,30 6.175,31 3.982,32 4.671,33 4.815,34 4.223,35 3.896,36 6.224,37 3.915,38 4.655,39 4.79,40 4.18,41 3.927,42 6.244,43 3.918,44 4.687,45 4.858,46 4.187,47 3.956,48 6.009,49 3.892,50 4.662,51 4.842,52 4.133,53 3.815,54 6.216,55 3.745,56 0.297,57 0.658,58 4.875,59 3.266,60 28.837,61 3.551,62 0.495,63 0.998,64 10.482,65 5.894,66 75.19,67 6.613,68 0.73,69 1.178,70 21.365,71 7.839,72 81.997,73 8.963,74 1.058,75 1.187,76 30.075,77 8.659,78 141.882,79 8.649,80 1.082,81 1.113,82 21.962,83 7.621,84 152.599,85 7.703,86 0.955,87 1.133,88 15.86,89 7.549,90 155.658,91 8.118,92 0.858,93 1.086,94 21.12,95 8.869,96 123.507,97 10.145,98 1.125,99 0.949,100 31.427,101 8.729,102 181.363,103 9.706,104 71,105 44,106 0.333,107 0.693,108 0.796,109 0.851,110 0.851,111 0.851,112 3.376,113 0.891,114 -4.07,115 -4.02,116 -3.81,120 39.5,122 1,126 2,143 5,144 2,145 4,147 1,153 1,158 1,164 2,165 2,166 2,167 4,174 4,176 2,177 7,182 1,185 6,187 1,188 1,189 15,194 4,197 4,199 4,200 2,201 11,203 1,204 1,206 1,209 7,211 1,213 5,214 11,216 1,217 1,222 7,226 4,227 4,229 2,230 2,232 1,235 9,237 1,239 1,240 4,242 2,243 2,245 4,247 2,249 4,251 2,252 8,254 1,255 1,257 4,260 6,262 4,264 4,266 2,267 2,269 3,273 3,274 1280,275 18.267,276 18.267,277 18.267,278 18.267,279 18.267,280 15.777,281 15.37,282 10.469,283 18.657,284 14.665,285 14.665,286 14.665,287 14.665,288 14.665,289 10.8,290 12.212,291 4.848,292 15.398,293 3.481,294 1.383,295 0.782,296 0.465,297 0.465,298 0.465,299 4.047,303 2,306 1,307 1,308 537,309 3.742,312 61.346,313 161.108,316 115.389,320 1.398,321 54.208,324 1,325 0.83,326 1,327 0.4,329 0.83,330 0.5,331 0.65,332 63.167,333 260,334 4.85,335 3.795,336 7.144,337 4.374,338 3.397,339 4.924,340 2.612,341 12.445,342 3.321,343 4.403,344 3.724,345 6.387,346 3.953,347 3.009,348 4.106,350 9.632,351 2.855,352 4.198,353 3.42,354 6.153,355 3.697,356 2.733,357 3.852,359 8.75,360 2.604,361 3.94,362 3.264,363 5.912,364 3.498,365 2.519,366 3.406,368 8.056,369 2.409,370 3.604,371 2.623,372 5.618,373 3.106,374 2.132,375 3.082,377 6.991,378 2.076,379 3.372,380 2.497,381 5.421,382 2.885,383 1.915,384 2.704,386 6.338,387 1.85,388 3.232,389 2.259,390 4.879,391 2.707,392 1.879,393 2.481,395 5.225,396 1.471,397 2.917,398 1.871,399 4.265,400 2.481,401 1.497,402 2.025,404 3.443,405 1.441,406 2.71,407 1.843,408 3.829,409 2.201,410 1.21,411 1.71,413 2.904,414 1.197,415 2.517,416 1.502,417 3.65,418 2.151,419 1.131,420 1.494,422 2.637,423 1.147,424 2.303,425 1.241,426 3.536,427 1.755,428 0.764,429 1.118,431 1.867,432 0.751,433 1.626,434 1.216,435 3.045,436 1.334,437 0.427,438 0.471,440 0.894,441 0.359,442 1.532,443 1,444 2.733,445 1.123,446 0.241,447 0.29,449 0.474,450 0.189,451 1.111,452 0.775,453 2.653,454 0.674,455 -0.302,456 -0.394,458 -0.609,459 -0.229,460 1,461 0.182,462 2.486,463 0.473,464 -0.347,465 -0.445,467 -0.898,468 -0.293,469 13.262,470 0.474,471 0.916,472 0.033,473 38,474 1.357,475 20,476 0.714,477 18,478 0.643,479 22.926,480 0.819,481 30.538,482 0.71,483 32.577,484 1.163,485 7.469,486 0.267,487 5.787,488 0.207,489 0.269,491 0.43,496 0.493,497 0.98,498 0.526,499 0.692,500 0.605,501 0.733,502 0.598,503 1.258,504 0.567,505 0.877,506 0.502,507 0.839,508 0.806,509 1.141,510 0.778,511 0.961,512 0.663,513 0.858,514 1.273,515 0.952,516 1.001,517 0.928,518 1.257,519 0.932,520 1.047,521 0.867,522 0.808,523 0.89,524 1.157,525 0.877,526 0.811,527 1.132,528 0.695,529 1.035,530 0.925,531 1.103,532 0.837,533 1.092,534 0.841,535 1.043,536 0.927,537 1.116,538 1.005,539 1.077,540 1.355,541 1.193,542 0.898,543 1.171,544 6,545 0.153,546 4.222,547 3.299,548 2.388,549 1.442,550 0.901,551 0.78,552 0.469,553 0.237,554 7887,555 33845,556 1.952,557 34.9,559 9,562 4,565 2,567 1.719,568 1.75,569 3.184,570 1.804,571 1,572 1,575 83.63,576 1.945,577 4.043,578 4.645,579 4.961,580 4.961,581 4.961,582 2.66,583 4.352,584 4.774,585 3.353,586 1267.41,587 8.355,588 16108.8,590 1,592 1,593 233.329,594 1.557,595 4.689,596 0.2,597 0.011,598 0.096,599 0.066,600 0.051,601 0.031,602 0.02,603 0.02,604 0.014,605 0.011,606 0.521,607 0.17,608 1,609 1.303,610 137.262,611 0.117,612 0.283,613 -0.003,614 0.181,615 -0.058,616 0.086,617 0.07,618 -0.114,619 0.078,620 0.052,621 0.117,622 0.071,623 -0.02,624 -0.088,625 0.088,626 -0.001,627 0.047,628 0.109,629 -0.23,630 0.036,631 -0.035,632 0.037,633 -0.2,634 0.009,635 0.021,636 0.142,637 -0.011,638 0.041,639 -0.011,640 0.033,641 0.13,642 -0.094,643 -0.027,644 -0.114,645 0.107,646 -0.19,647 0.022,648 -0.138,649 0.071,650 -0.038,651 -0.075,652 -0.084,653 0.032,654 -0.198,655 -0.078,656 -0.134,657 0.096,658 -0.117,659 2.613,660 6.196,661 0.536,662 24.98,663 1.041,664 1.133,665 2.844,666 8.086,667 0.701,668 3.434,669 3.807,670 4.127,671 4.407,672 4.682,673 4.836,674 4.977,675 5.094,676 5.106,677 5.063,678 5.756,679 0.693,680 424.27,681 3.434,682 5.004,683 5.883,684 6.792,685 7.7,686 8.62,687 9.538,688 10.464,689 11.388,690 12.317,691 11.6,692 1,695 1,699 1,702 2,708 2,709 5,714 6,715 1,716 16,721 1,728 1,731 1,737 2,738 43,739 20,740 2,741 30,743 45,744 17,745 13,746 7,747 5,748 1,752 3,753 4,754 2,759 1,766 1,768 14,769 3,772 4,775 1,778 4,782 1,786 1,789 15,790 6,791 4,792 11,793 2,797 5,803 0.667,804 4,814 1,822 1,823 2,826 1,848 1,855 2,860 2,862 28,863 2,869 3,885 2,886 9.3,889 1,892 3,893 16,894 7.636,895 6.194,896 2.406,898 3.309,899 1.448,900 0.984,901 5.88,902 10.704,903 3.761,904 4.463,905 5.126,906 5.763,907 6.376,908 6.81,909 7.237,910 7.665,911 7.928,912 8.121,913 1,914 50,915 10.399,917 4.665,918 8.347,919 18.576,921 15.19,924 2.847,925 79.722,928 1,929 129.482,930 82.435,931 76.29,932 78.297,933 101.265,936 82.435,937 309.045,938 76.29,939 8.719,940 39.643,941 80.278,942 30.278,943 22.194,944 2.757,945 129.482,946 154.418,947 129.482,948 158.725,949 101.265,950 78.297,952 105.94,953 48.687,954 76.12,956 43.564,957 106.442,958 87.017,960 129.482,961 177.556,962 160.732,965 129.482,966 35.054,967 57.877,969 245.357,970 129.482,971 177.556,972 160.732,973 0.593,974 0.361,975 0.187,976 0.111,977 21,978 12,979 0.133,980 6,981 1,982 1.133,983 3.645,984 252.232,985 0.133,986 15,987 126.606,993 20.512,994 8.027,995 3.728,996 0.272,997 167.06,998 6.445,1003 0.28,1004 1.196,1005 65.794,1006 467.77,1007 42,1010 -0.613,1013 48.031,1017 -0.519,1020 44.767,1021 48.708,1022 0.358,1023 0.745,1024 0.856,1025 0.914,1026 0.914,1027 0.914,1028 5.017,1029 1.497,1030 5.916,1031 5.225,1032 4.489,1033 5.15,1034 2.501,1035 6.81,1036 4.4,1037 6.288,1038 1.21,1039 7.541,1040 3.443,1041 4.29,1042 5.293,1043 2.361,1044 7.879,1045 4.131,1046 7.65,1047 1.131,1048 9.265,1049 2.904,1050 6.168,1051 7.536,1052 4.154,1053 11.031,1054 6.014,1055 9.052,1056 0.764,1057 11.045,1058 2.637,1059 6.758,1060 8.476,1061 4.506,1062 12.912,1063 6.549,1064 10.485,1065 0.427,1066 12.858,1067 1.867,1068 8.168,1069 10.26,1070 5.948,1071 15.62,1072 7.958,1073 11.941,1074 0.241,1075 14.695,1076 0.894,1077 9.099,1078 11.548,1079 6.556,1080 17.859,1081 8.847,1082 13.415,1083 -0.302,1084 16.549,1085 0.474,1086 10.352,1087 13.18,1088 7.794,1089 20.424,1090 10.091,1091 3.397,1092 -0.347,1093 18.418,1094 -0.609,1095 11.431,1096 14.626,1097 8.548,1098 22.823,1099 11.14,1100 3.009,1101 12.445,1102 20.298,1103 -0.898,1104 12.636,1105 16.21,1106 9.67,1107 25.346,1108 12.329,1109 2.733,1110 9.632,1111 22.188,1112 4.924,1113 13.781,1114 17.729,1115 10.509,1116 27.813,1117 13.45,1118 2.519,1119 8.75,1120 24.088,1121 4.106,1122 14.974,1123 19.303,1124 11.563,1125 30.327,1126 14.627,1127 2.132,1128 8.056,1129 25.995,1130 3.852,1131 16.15,1132 20.855,1133 12.452,1134 32.823,1135 15.782,1136 1.915,1137 6.991,1138 27.909,1139 3.406,1140 17.345,1141 22.431,1142 13.468,1143 35.338,1144 16.96,1145 1.879,1146 6.338,1147 29.829,1148 3.082,1149 18.536,1150 24,1151 14.386,1152 37.847,1153 18.132,1154 8002,1155 16703,1156 18.729,1157 30.131,1158 46.009,1159 49.81,1160 49.278,1161 45.915,1162 45.711,1163 63.329,1164 5.225,1165 139.313,1166 43.343,1167 5.675,1168 5.795,1169 7.003,1170 5.381,1171 5.397,1172 7.924,1173 4.612,1174 20.143,1175 5.321,1176 19.104,1177 1.534,1178 1.66,1179 1.643,1180 1.53,1181 1.524,1182 2.111,1183 0.174,1184 4.644,1185 1.445,1186 4.238,1187 4.276,1188 4.23,1189 4.078,1190 7.815,1191 4.104,1192 3.919,1193 3.933,1194 4.086,1195 3.861,1196 7.472,1197 3.858,1198 3.773,1199 3.814,1200 3.758,1201 3.512,1202 7.426,1203 3.537,1204 3.572,1205 3.645,1206 3.582,1207 3.318,1208 6.999,1209 3.345,1210 3.276,1211 3.312,1212 3.424,1213 3.04,1214 5.187,1215 3.087,1216 3.259,1217 3.295,1218 3.356,1219 2.902,1220 5.007,1221 2.966,1222 2.989,1223 3.09,1224 3.185,1225 2.849,1226 4.768,1227 2.815,1228 2.901,1229 2.938,1230 2.864,1231 2.724,1232 4.698,1233 2.737,1234 0.162,1235 0.126,1236 0.238,1237 0.146,1238 0.113,1239 4.85,1240 0.164,1241 3.795,1242 0.087,1243 7.144,1244 0.415,1245 4.374,1246 0.111,1247 3.397,1248 4.924,1249 2.612,1250 12.445,1251 3.321,1252 1.975,1253 1.959,1254 2.032,1255 2.136,1256 1.228,1257 2.086,1258 1.891,1259 1.874,1260 1.953,1261 2.041,1262 1.171,1263 2.015,1264 1.719,1265 1.654,1266 1.899,1267 1.931,1268 1.062,1269 1.922,1270 1.426,1271 1.371,1272 1.573,1273 1.751,1274 0.69,1275 1.699,1276 1.285,1277 1.251,1278 1.339,1279 1.687,1280 0.378,1281 1.599,1282 1.059,1283 1.019,1284 1.249,1285 1.369,1286 0.273,1287 1.346,1288 0.934,1289 0.842,1290 1.228,1291 1.261,1292 0.109,1293 1.266,1294 0.849,1295 0.827,1296 1.044,1297 1.096,1298 0.105,1299 1.082,1300 4.111,1302 5.468,1303 2.398,1304 7.024,1305 4.949,1306 8.673,1307 7.222,1308 10.375,1311 12.052,1313 11.243,1315 0.872,1326 29.782,1327 83.63,1328 173.845,1329 199.72,1330 213.329,1331 213.329,1332 213.329,1333 92.32,1334 7.394,1335 145.32,1336 145.32,1337 17,1338 12.821,1339 4.392,1340 3.7,1341 49.206,1342 92,1343 100,1344 0.26,1345 191.936,1346 329.7,1347 460.083,1348 13979,1349 4.7,1350 20.585,1351 0.735,1352 0.568,1353 21.585,1354 15.905,1355 13.256,1356 0.442,1357 0.297,1358 8.079,1359 12.034,1360 7.906,1361 6.496,1362 13.833,1363 8.912,1364 12.292,1365 0.279,1366 0.156,1367 13.033,1368 6.843,1369 10.664,1370 0.175,1371 0.08,1372 11.425,1373 4.887,1374 8.396,1375 0.104,1376 0.042,1377 9.076,1378 3.374,1379 6.997,1380 0.065,1381 0.021,1382 7.387,1383 2.235,1384 0.392,1385 90.743,1386 0.231,1387 25.995,1388 0.768,1389 148,1390 552.909,1391 196.416,1392 588.037,1393 757.69,1394 536,1395 179,1396 512.139,1397 222.227,1398 525.371,1399 770.12,1400 492,1401 4.33}
{0 CHEMBL1356838,1 1.297,2 10.037,3 5.067,4 25.677,5 110.555,6 6.555,7 0.567,8 4.077,9 4.215,10 3.556,11 3.635,12 5.042,13 3.582,14 4.65,15 4.864,16 3.939,17 4.052,18 5.53,19 3.984,20 4.912,21 5.125,22 4.017,23 4.26,24 5.793,25 4.148,26 5.095,27 5.381,28 3.926,29 4.25,30 5.882,31 4.098,32 4.954,33 5.233,34 3.849,35 4.156,36 5.737,37 4.018,38 4.785,39 5.023,40 3.812,41 4.099,42 5.595,43 3.974,44 4.768,45 4.999,46 3.767,47 4.065,48 5.65,49 3.936,50 4.809,51 5.085,52 3.539,53 3.986,54 5.605,55 3.819,56 0.059,57 0.816,58 12.816,59 5.112,60 9.961,61 7.455,62 0.234,63 1.364,64 23.674,65 8.321,66 20.112,67 12.489,68 0.222,69 1.721,70 30.55,71 11.389,72 27.613,73 16.933,74 0.3,75 1.877,76 37.431,77 13.266,78 39.655,79 20.139,80 0.287,81 1.656,82 32.509,83 11.411,84 31.993,85 17.304,86 0.173,87 1.455,88 26.905,89 10.25,90 21.899,91 15.199,92 0.209,93 1.453,94 26.591,95 9.756,96 28.327,97 14.572,98 0.246,99 1.419,100 28.13,101 9.715,102 32.364,103 14.803,104 18,105 44,106 0.214,107 0.507,108 0.666,109 0.75,110 0.756,111 0.756,112 3.341,113 0.973,114 -5.81,115 -5.67,116 -5.29,120 41.8,121 3,124 1,125 1,126 4,143 8,144 3,147 1,148 1,150 1,174 14,176 2,177 6,185 18,188 1,189 8,197 13,200 1,201 10,209 9,213 1,214 7,222 9,227 5,235 9,239 1,240 10,247 8,252 4,260 6,264 5,271 9,274 1077,275 17.919,276 17.919,277 17.919,278 17.919,279 17.919,280 16.062,281 18.17,282 10.331,283 18.248,284 14.821,285 14.821,286 14.821,287 14.821,288 14.821,289 11.968,290 24.418,291 4.918,292 15.365,293 4.485,294 2.713,295 1.746,296 1.237,297 1.201,298 1.201,299 4.036,306 1,307 1,308 586,309 3.162,313 285.967,317 116.48,320 1.454,321 13.128,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.84,332 56,333 271,334 4.594,335 3.538,336 7.111,337 4.316,338 3.316,339 4.507,340 0.8,341 11.659,342 3.315,343 4.438,344 3.301,345 6.728,346 4.138,347 3.182,348 3.88,349 0.8,350 11.002,351 3.045,352 4.036,353 2.856,354 6.099,355 3.692,356 2.723,357 3.445,359 8.902,360 2.65,361 3.76,362 2.672,363 5.768,364 3.498,365 2.551,366 3.067,368 7.822,369 2.4,370 3.347,371 2.471,372 5.049,373 3.128,374 2.207,375 2.558,377 6.061,378 2.031,379 3.266,380 1.863,381 4.74,382 2.839,383 1.861,384 2.416,386 5.205,387 1.818,388 2.929,389 1.664,390 4.588,391 2.5,392 1.548,393 2.112,395 4.514,396 1.472,397 2.824,398 1.47,399 4.343,400 2.451,401 1.462,402 1.9,404 3.949,405 1.444,406 2.666,407 1.24,408 3.664,409 2.199,410 1.228,411 1.725,413 2.947,414 1.189,415 2.5,416 1.146,417 3.567,418 2,419 1,420 1.5,422 2.275,423 1,424 2.217,425 1,426 3.414,427 1.967,428 1,429 1.115,431 2.275,432 0.965,433 2,434 0.862,435 3.414,436 1.775,437 0.812,438 1,440 2.111,441 0.78,442 1.221,443 0.047,444 2.857,445 0.863,446 -0.088,447 -0.102,449 -0.21,450 -0.084,451 0.988,452 -0.208,453 2.765,454 0.681,455 -0.29,456 -0.363,458 -0.722,459 -0.28,460 0.826,461 -0.459,462 2.476,463 0.383,464 -0.575,465 -0.76,467 -1.51,468 -0.547,469 13.1,470 0.485,471 0.843,472 0.031,473 34,474 1.259,475 16.5,476 0.611,477 17.5,478 0.648,479 25.041,480 0.927,481 28.9,482 0.525,483 24.14,484 0.894,485 6.29,486 0.233,487 6.625,488 0.245,489 0.153,490 0.038,491 0.29,496 0.91,497 1.447,498 0.903,499 1.166,500 1.014,501 1.057,502 1.29,503 0.922,504 0.865,505 0.788,506 0.685,507 0.791,508 1.125,509 1.273,510 1.12,511 1.193,512 0.971,513 1.163,514 1.03,515 0.99,516 0.905,517 0.916,518 1.109,519 0.902,520 1.205,521 0.854,522 0.926,523 0.822,524 1.236,525 0.846,526 1.015,527 1.097,528 1.008,529 1.049,530 1.035,531 1.031,532 1.187,533 1.218,534 1.169,535 1.189,536 1.273,537 1.18,538 1.516,539 0.931,540 1.199,541 0.99,542 1.723,543 1.055,544 6.5,545 0.161,546 3.778,547 1.625,548 1.511,549 1.194,550 0.624,551 0.375,552 0.41,553 0.355,554 8420,555 15618,556 2.088,557 50.9,558 9,559 19,567 1.704,568 1.94,569 3.278,570 -0.843,575 71.327,576 1.297,577 3.069,578 4.035,579 4.544,580 4.581,581 4.581,582 2.713,583 4.106,584 4.723,585 3.461,586 1214.93,587 8.221,588 15192.8,590 1,593 317.975,594 1.596,595 4.673,596 0.217,597 0.009,598 0.086,599 0.036,600 0.038,601 0.031,602 0.017,603 0.011,604 0.016,605 0.017,606 0.477,607 0.5,608 0.88,609 0.76,610 132.233,611 0.096,612 -0.248,613 0.083,614 -0.082,615 -0.066,616 -0.015,617 0.086,618 0.218,619 0.152,620 0.201,621 0.272,622 0.185,623 -0.017,624 -0.179,625 -0.13,626 -0.182,627 0.042,628 -0.168,629 0.062,630 -0.018,631 0.088,632 0.043,633 0.076,634 0.063,635 -0.031,636 0.148,637 0.073,638 0.135,639 -0.09,640 0.117,641 -0.052,642 -0.06,643 -0.028,644 -0.037,645 -0.072,646 -0.032,647 -0.056,648 -0.149,649 -0.178,650 -0.194,651 -0.093,652 -0.196,653 -0.286,654 0.084,655 -0.2,656 -0.04,657 -0.396,658 -0.1,659 1.103,660 2.008,661 0.815,662 24.313,663 0.982,664 1.127,665 4.583,666 21.008,667 0.657,668 3.434,669 3.807,670 4.06,671 4.317,672 4.625,673 4.762,674 4.949,675 5.05,676 5.22,677 5.303,678 6.034,679 0.607,680 360.55,681 3.434,682 5.004,683 5.861,684 6.758,685 7.636,686 8.536,687 9.423,688 10.325,689 11.216,690 12.12,691 7.3,694 1,697 1,701 2,708 2,709 8,710 2,714 4,716 17,732 1,738 55,739 17,740 2,741 30,743 58,744 23,745 14,746 4,747 8,752 4,753 5,759 3,760 1,768 14,769 9,789 28,790 4,792 4,797 4,803 0.75,817 1,823 4,827 1,851 1,855 3,859 4,862 27,869 4,875 2,876 1,893 13.917,894 11.217,895 5.694,896 3.406,898 3.369,899 1.441,900 0.978,901 4.712,902 11.002,903 3.676,904 4.304,905 4.914,906 5.53,907 6.168,908 6.556,909 7.063,910 7.48,911 7.957,912 8.253,913 0.857,914 45,915 9.995,917 4.191,918 7.398,919 19.862,921 16.656,924 1.898,925 51.25,928 1,929 329.591,930 134.849,931 39.82,936 134.849,937 329.591,938 39.82,939 34.872,940 8.423,941 75.81,942 33.571,943 19.665,944 2.328,945 329.591,947 329.591,948 174.669,952 331.919,956 40.167,957 98.603,958 33.571,960 329.591,961 39.82,962 134.849,965 329.591,966 24.167,967 116.931,969 33.571,970 329.591,971 39.82,972 134.849,973 0.598,974 0.337,975 0.172,976 0.101,977 23,978 10,979 0.052,980 3,981 1,982 1.091,983 3.788,984 240.97,985 0.091,986 22,987 115.627,993 18.095,994 7.031,995 3.735,996 2.147,997 39.82,998 17.043,999 9.868,1003 4.266,1006 504.259,1007 38.5,1020 54.01,1021 61.976,1022 0.224,1023 0.531,1024 0.698,1025 0.786,1026 0.792,1027 0.792,1028 4.943,1029 1.462,1030 5.894,1031 4.514,1032 4.489,1033 4.99,1034 1.072,1035 6.758,1036 4.421,1037 6.172,1038 1.228,1039 7.495,1040 3.949,1041 4.29,1042 4.879,1043 0.57,1044 7.934,1045 4.203,1046 7.502,1047 1,1048 9.206,1049 2.947,1050 6.184,1051 7.227,1052 0.653,1053 10.956,1054 6.063,1055 8.868,1056 1,1057 10.984,1058 2.275,1059 6.77,1060 7.919,1061 0.479,1062 12.917,1063 6.643,1064 10.266,1065 0.812,1066 12.804,1067 2.275,1068 8.2,1069 9.788,1070 0.432,1071 15.528,1072 8.046,1073 11.688,1074 -0.088,1075 14.653,1076 2.111,1077 9.119,1078 10.873,1079 0.346,1080 17.778,1081 8.965,1082 13.127,1083 -0.29,1084 16.523,1085 -0.21,1086 10.381,1087 12.53,1088 0.291,1089 20.263,1090 10.208,1091 3.316,1092 -0.575,1093 18.407,1094 -0.722,1095 11.445,1096 13.815,1097 0.237,1098 22.624,1099 11.271,1100 3.182,1101 11.659,1102 20.303,1103 -1.51,1104 12.646,1105 15.376,1106 0.195,1107 25.071,1108 12.461,1109 2.723,1110 11.002,1111 22.208,1112 4.507,1113 13.774,1114 16.765,1115 0.158,1116 27.476,1117 13.586,1118 2.551,1119 8.902,1120 24.121,1121 3.88,1122 14.956,1123 18.284,1124 0.129,1125 29.913,1126 14.761,1127 2.207,1128 7.822,1129 26.039,1130 3.445,1131 16.112,1132 19.726,1133 0.104,1134 32.336,1135 15.914,1136 1.861,1137 6.061,1138 27.961,1139 3.067,1140 17.289,1141 21.229,1142 0.084,1143 34.772,1144 17.087,1145 1.548,1146 5.205,1147 29.888,1148 2.558,1149 18.459,1150 22.698,1151 0.068,1152 37.204,1153 18.255,1154 8081,1155 11170,1156 19.879,1157 36.16,1158 46.358,1159 45.705,1160 46.572,1161 45.808,1162 45.78,1163 58.449,1164 3.2,1165 137.445,1166 44.218,1167 5.594,1168 5.538,1169 6.793,1170 5.39,1171 5.316,1172 7.507,1173 1.2,1174 18.865,1175 5.315,1176 13.702,1177 1.545,1178 1.524,1179 1.552,1180 1.527,1181 1.526,1182 1.948,1183 0.107,1184 4.582,1185 1.474,1186 4.102,1187 4.138,1188 4.069,1189 4.012,1190 5.063,1191 4.021,1192 3.924,1193 3.956,1194 3.857,1195 3.87,1196 4.709,1197 3.863,1198 3.787,1199 3.861,1200 3.668,1201 3.592,1202 4.448,1203 3.601,1204 3.594,1205 3.651,1206 3.472,1207 3.49,1208 4.364,1209 3.477,1210 3.343,1211 3.414,1212 3.242,1213 3.172,1214 4.184,1215 3.184,1216 3.157,1217 3.25,1218 3.015,1219 2.941,1220 4.013,1221 2.94,1222 3.111,1223 3.206,1224 2.866,1225 2.935,1226 3.713,1227 2.91,1228 2.939,1229 3.009,1230 2.778,1231 2.799,1232 3.674,1233 2.782,1234 0.153,1235 0.118,1236 0.237,1237 0.144,1238 0.111,1239 4.594,1240 0.15,1241 3.538,1242 0.027,1243 7.111,1244 0.389,1245 4.316,1246 0.11,1247 3.316,1248 4.507,1249 0.8,1250 11.659,1251 3.315,1252 2.04,1253 2.013,1254 2.119,1255 2.151,1256 1.312,1257 2.14,1258 1.931,1259 1.903,1260 2.061,1261 2.019,1262 1.284,1263 2.037,1264 1.743,1265 1.67,1266 1.956,1267 1.955,1268 1.148,1269 1.962,1270 1.609,1271 1.556,1272 1.83,1273 1.75,1274 0.947,1275 1.781,1276 1.298,1277 1.236,1278 1.557,1279 1.523,1280 0.825,1281 1.534,1282 1.153,1283 1.064,1284 1.513,1285 1.381,1286 0.656,1287 1.429,1288 1.135,1289 1.041,1290 1.417,1291 1.376,1292 0.469,1293 1.393,1294 0.949,1295 0.888,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 4.111,1302 5.468,1304 7.024,1306 8.664,1308 10.347,1310 8.887,1315 4.127,1321 4.767,1322 0.147,1326 33.407,1327 71.327,1328 168.781,1329 221.936,1330 249.936,1331 251.936,1332 251.936,1333 35.474,1334 7.633,1335 32.26,1336 32.26,1337 24,1338 12.642,1339 4.17,1340 3.248,1341 40.048,1342 97,1343 97,1344 0.205,1345 205.579,1346 347.2,1347 493.372,1348 20414,1350 19.018,1351 0.704,1352 0.62,1353 19.018,1354 16.736,1355 12.915,1356 0.43,1357 0.324,1358 9.634,1359 12.586,1360 9.195,1361 7.718,1362 12.915,1363 9.729,1364 12.601,1365 0.286,1366 0.193,1367 12.601,1368 8.506,1369 10.027,1370 0.176,1371 0.095,1372 10.027,1373 5.395,1374 8.2,1375 0.111,1376 0.048,1377 8.2,1378 3.568,1379 7.042,1380 0.07,1381 0.025,1382 7.042,1383 2.57,1384 0.315,1385 79.577,1386 0.224,1387 25.564,1388 0.581,1389 148,1390 318.58,1391 156.382,1392 321.796,1393 459.98,1394 304,1395 175,1396 356.211,1397 185.047,1398 369.885,1399 542.68,1400 346,1401 6.484}
{0 CHEMBL1357281,1 1.849,2 10.333,3 2.596,4 6.739,5 86.295,6 9.323,7 0.654,8 3.705,9 3.796,10 3.447,11 3.234,12 5.062,13 3.273,14 4.154,15 4.267,16 3.772,17 3.562,18 5.555,19 3.597,20 4.33,21 4.476,22 3.775,23 3.611,24 5.742,25 3.633,26 4.354,27 4.498,28 3.75,29 3.519,30 5.792,31 3.565,32 4.332,33 4.489,34 3.705,35 3.414,36 5.864,37 3.474,38 4.194,39 4.368,40 3.548,41 3.265,42 5.774,43 3.31,44 3.969,45 4.14,46 3.324,47 3.184,48 5.44,49 3.193,50 3.892,51 4.053,52 3.29,53 3.173,54 5.315,55 3.183,56 0.191,57 0.605,58 3.851,59 2.927,60 17.47,61 2.806,62 0.437,63 0.899,64 7.712,65 4.554,66 36.031,67 4.361,68 0.592,69 1.001,70 11.884,71 5.76,72 69.722,73 5.773,74 0.681,75 0.927,76 12.819,77 5.438,78 80.013,79 5.034,80 0.761,81 0.824,82 14.086,83 5.021,84 97.388,85 4.864,86 0.751,87 0.74,88 13.013,89 4.309,90 90.971,91 4.399,92 0.554,93 0.647,94 9.821,95 3.805,96 64.571,97 3.848,98 0.378,99 0.608,100 8.152,101 3.419,102 52.444,103 3.502,104 10,105 35,106 0.332,107 0.621,108 0.743,109 0.845,110 0.87,111 0.87,112 3.228,113 0.8,114 -4.84,115 -4.75,116 -4.46,120 45.7,126 1,143 8,144 2,145 2,158 1,159 1,161 1,167 3,174 8,176 4,177 5,185 8,188 1,189 9,197 4,200 2,201 15,213 3,214 11,222 1,226 4,227 5,235 3,239 1,240 5,247 6,251 1,252 4,260 7,263 2,264 6,271 6,274 822,275 16.259,276 16.259,277 16.259,278 16.259,279 16.259,280 13.989,281 13.28,282 9.741,283 16.486,284 12.809,285 12.809,286 12.809,287 12.809,288 12.809,289 9.407,290 10.61,291 4.603,292 13.159,293 3.28,294 1.672,295 0.993,296 0.422,297 0.286,298 0.286,299 3.907,305 1,306 1,307 1,308 532,309 3.24,312 61.455,313 172.894,320 1.5,321 36.715,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 54.5,333 248,334 4.451,335 3.731,336 6.658,337 4.072,338 3.097,339 4.11,340 1.797,341 10.678,342 3.018,343 4.179,344 3.573,345 6.028,346 3.823,347 2.812,348 3.756,349 1.338,350 8.576,351 2.842,352 3.842,353 2.977,354 5.668,355 3.422,356 2.46,357 3.328,359 7.413,360 2.353,361 3.654,362 2.884,363 5.022,364 3.232,365 2.276,366 3.013,368 6.02,369 2.154,370 3.326,371 2.112,372 4.608,373 2.848,374 1.875,375 2.6,377 4.724,378 1.815,379 2.877,380 1.988,381 4.154,382 2.421,383 1.436,384 2.045,386 3.696,387 1.398,388 2.846,389 1.709,390 3.824,391 2.399,392 1.414,393 1.906,395 3.095,396 1.389,397 2.568,398 1.447,399 3.58,400 2.063,401 1.065,402 1.536,404 2.615,405 1.05,406 2.5,407 1.31,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.29,416 1,417 3.23,418 1.783,419 0.803,420 1.186,422 1.893,423 0.785,424 2.118,425 0.817,426 3,427 1.567,428 0.618,429 0.927,431 1.372,432 0.585,433 1.692,434 0.618,435 2.851,436 1.284,437 0.313,438 0.393,440 0.682,441 0.294,442 1.114,443 0.489,444 2.319,445 0.671,446 -0.264,447 -0.337,449 -0.564,450 -0.236,451 0.915,452 0.307,453 2.088,454 0.473,455 -0.532,456 -0.723,458 -1.294,459 -0.527,460 0.608,461 -0.295,462 2,463 0.128,464 -0.875,465 -1.225,467 -2.107,468 -0.872,469 10.886,470 0.454,471 0.524,472 0.022,473 34,474 1.417,475 19,476 0.792,477 15,478 0.625,479 14.203,480 0.592,481 25.114,482 0.718,483 25.93,484 1.08,485 7.339,486 0.306,487 4.308,488 0.18,489 0.087,491 0.312,494 1,496 0.565,497 0.873,498 0.562,499 0.994,500 0.527,501 0.853,502 0.737,503 0.94,504 0.778,505 1.023,506 0.623,507 0.958,508 0.996,509 1.085,510 0.971,511 1.143,512 1.023,513 1.078,514 1.267,515 1.025,516 1.128,517 1.14,518 1.313,519 1.103,520 1.198,521 0.85,522 1.035,523 0.961,524 1.004,525 0.943,526 1.061,527 0.731,528 1.034,529 0.801,530 0.894,531 0.873,532 1.036,533 0.813,534 1.089,535 0.858,536 1.33,537 0.947,538 0.937,539 0.839,540 0.998,541 0.903,542 1.143,543 0.954,544 4,545 0.069,546 3.111,547 1.403,548 0.924,549 0.733,550 0.42,551 0.26,552 0.207,553 0.112,554 6563,555 24984,556 2.064,557 31.4,559 10,561 1,567 1.668,568 1.946,569 3.34,570 -0.658,572 1,574 1,575 64.716,576 1.849,577 3.457,578 4.136,579 4.708,580 4.844,581 4.844,582 2.736,583 3.97,584 4.559,585 3.491,586 963.591,587 7.859,588 11529.8,589 1,590 1,592 1,593 179.525,594 1.347,595 4.522,596 0.154,597 0.005,598 0.089,599 0.041,600 0.029,601 0.024,602 0.017,603 0.012,604 0.01,605 0.006,606 0.387,607 0.17,608 1,609 0.566,610 114.915,611 0.053,612 0.103,613 0.051,614 -0.042,615 -0.026,616 -0.024,617 0.042,618 0.009,619 -0.035,620 -0.064,621 0.008,622 -0.085,623 -0.066,624 -0.121,625 -0.057,626 -0.134,627 -0.066,628 -0.098,629 -0.199,630 -0.143,631 -0.168,632 -0.174,633 -0.211,634 -0.164,635 -0.114,636 -0.117,637 -0.002,638 -0.024,639 0.002,640 0.017,641 0.053,642 0.094,643 0.042,644 0.139,645 0.138,646 0.103,647 -0.009,648 0.16,649 -0.08,650 0.138,651 -0.13,652 0.053,653 -0.123,654 -0.014,655 -0.076,656 0.062,657 -0.145,658 0.029,659 2.35,660 5.234,661 0.708,662 19.083,663 1.041,664 1.132,665 3.612,666 13.048,667 0.696,668 3.296,669 3.584,670 3.829,671 4.025,672 4.159,673 4.127,674 4.094,675 4.043,676 4.06,677 4.06,678 6.137,679 0.706,680 326.31,681 3.296,682 4.812,683 5.645,684 6.5,685 7.351,686 8.209,687 9.065,688 9.924,689 10.782,690 11.643,691 11.4,699 1,701 3,709 9,710 3,714 4,715 1,716 17,721 1,726 1,737 1,738 35,739 19,740 2,741 26,743 37,744 16,745 13,746 4,747 8,748 2,752 3,753 3,768 15,769 1,772 2,778 2,782 2,785 1,786 1,787 1,789 11,790 7,792 8,797 4,803 1,804 3,822 1,823 2,855 3,861 1,862 24,869 1,872 1,885 1,886 8.6,889 2,891 1,893 12.333,894 6.443,895 5.361,896 1.915,898 2.974,899 1.44,900 0.97,901 4.619,902 9.729,903 3.624,904 4.193,905 4.757,906 5.277,907 5.692,908 5.832,909 6.04,910 6.124,911 6.317,912 6.504,913 0.857,914 34,915 8.85,917 3.808,918 8.25,919 15.911,921 12.46,924 2.75,925 66,929 129.482,930 119.595,931 51.521,933 61.29,934 14.96,936 119.595,937 190.772,938 66.481,940 4.592,941 75.81,942 132.748,943 31.025,944 14.96,945 117.711,947 129.482,948 171.115,949 76.25,952 144.442,953 61.29,956 14.988,957 106.384,958 49.744,960 144.442,961 112.81,962 119.595,965 129.482,966 35.166,967 86.205,969 125.994,970 129.482,971 127.77,972 119.595,973 0.575,974 0.337,975 0.177,976 0.092,977 16,978 7,979 0.162,980 6,982 1,983 3.663,984 186.992,986 17,987 106.039,993 15.816,994 7.008,995 3.657,997 125.994,998 12.918,999 10.757,1003 0.468,1004 1.318,1006 376.847,1007 36.5,1013 24.202,1017 -1.111,1020 36.436,1021 39.622,1022 0.36,1023 0.674,1024 0.806,1025 0.918,1026 0.944,1027 0.944,1028 4.822,1029 1.065,1030 5.609,1031 3.095,1032 4.263,1033 4.879,1034 2.402,1035 6.382,1036 4.214,1037 6.02,1038 1,1039 7.148,1040 2.615,1041 3.761,1042 4.527,1044 7.248,1045 3.699,1046 7.309,1047 0.803,1048 8.791,1049 2.275,1050 5.814,1051 7.027,1052 3.342,1053 10.338,1054 5.726,1055 8.636,1056 0.618,1057 10.498,1058 1.893,1059 6.176,1060 7.534,1062 12.08,1063 6.08,1064 9.996,1065 0.313,1066 12.248,1067 1.372,1068 7.658,1069 9.443,1070 4.381,1071 14.678,1072 7.54,1073 11.379,1074 -0.264,1075 14.027,1076 0.682,1077 8.411,1078 10.358,1080 16.77,1081 8.286,1082 12.78,1083 -0.532,1084 15.828,1085 -0.564,1086 9.665,1087 12.008,1088 5.478,1089 19.208,1090 9.522,1091 3.097,1092 -0.875,1093 17.644,1094 -1.294,1095 10.603,1096 13.137,1098 21.45,1099 10.449,1100 2.812,1101 10.678,1102 19.472,1103 -2.107,1104 11.765,1105 14.661,1106 6.608,1107 23.834,1108 11.593,1109 2.46,1110 8.576,1111 21.309,1112 4.11,1113 12.792,1114 15.906,1116 26.141,1117 12.605,1118 2.276,1119 7.413,1120 23.155,1121 3.756,1122 13.919,1123 17.367,1124 7.758,1125 28.509,1126 13.712,1127 1.875,1128 6.02,1129 25.006,1130 3.328,1131 14.989,1132 18.679,1134 30.846,1135 14.763,1136 1.436,1137 4.724,1138 26.863,1139 3.013,1140 16.104,1141 20.108,1142 8.917,1143 33.209,1144 15.857,1145 1.414,1146 3.696,1147 28.725,1148 2.6,1149 17.196,1150 21.457,1152 35.561,1153 16.927,1154 6353,1155 12534,1156 17.394,1157 24.369,1158 38.995,1159 40.202,1160 39.458,1161 38.381,1162 38.337,1163 52.6,1164 6.27,1165 106.08,1166 37.368,1167 5.356,1168 5.731,1169 6.338,1170 5.137,1171 5.097,1172 7.11,1173 3.595,1174 17.762,1175 5.018,1176 10.587,1177 1.5,1178 1.546,1179 1.518,1180 1.476,1181 1.474,1182 2.023,1183 0.241,1184 4.08,1185 1.437,1186 4.008,1187 4.052,1188 3.975,1189 3.892,1190 8.201,1191 3.902,1192 3.923,1193 3.948,1194 3.878,1195 3.843,1196 7.436,1197 3.846,1198 3.658,1199 3.73,1200 3.622,1201 3.337,1202 7.423,1203 3.403,1204 3.486,1205 3.5,1206 3.419,1207 3.263,1208 5.248,1209 3.296,1210 3.18,1211 3.172,1212 3.149,1213 2.974,1214 4.682,1215 3.009,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.601,1221 2.715,1222 2.807,1223 2.875,1224 2.682,1225 2.663,1226 4.337,1227 2.658,1228 2.77,1229 2.827,1230 2.68,1231 2.578,1232 3.741,1233 2.587,1234 0.171,1235 0.144,1236 0.256,1237 0.157,1238 0.119,1239 4.451,1240 0.158,1241 3.731,1242 0.069,1243 6.658,1244 0.411,1245 4.072,1246 0.116,1247 3.097,1248 4.11,1249 1.797,1250 10.678,1251 3.018,1252 1.919,1253 1.898,1254 2.011,1255 2.033,1256 1.109,1257 2.023,1258 1.896,1259 1.874,1260 1.993,1261 1.991,1262 1.082,1263 1.991,1264 1.379,1265 1.361,1266 1.563,1267 1.643,1268 0.7,1269 1.608,1270 1.268,1271 1.192,1272 1.408,1273 1.544,1274 0.416,1275 1.512,1276 1.054,1277 1.048,1278 1.191,1279 1.387,1280 0.23,1281 1.277,1282 0.92,1283 0.821,1284 1.181,1285 1.289,1286 0.218,1287 1.235,1288 0.886,1289 0.818,1290 1.064,1291 1.062,1292 0.055,1293 1.107,1294 0.745,1295 0.687,1296 0.955,1297 0.978,1298 0.034,1299 0.99,1300 3.97,1302 5.263,1303 2.398,1304 6.746,1305 4.443,1306 8.316,1307 6.293,1308 9.932,1312 12.849,1315 -0.45,1318 5.049,1326 24.721,1327 64.716,1328 120.996,1329 144.77,1330 164.77,1331 169.525,1332 169.525,1333 50.83,1334 6.756,1335 86.97,1336 86.97,1337 17,1338 12.194,1339 4.322,1340 3.524,1341 39.346,1342 88,1343 92,1344 0.216,1345 153.158,1346 265.62,1347 365.465,1348 7522,1349 2.9,1350 16.941,1351 0.706,1352 0.512,1353 16.071,1354 12.295,1355 11.648,1356 0.448,1357 0.267,1358 6.781,1359 10.971,1360 6.698,1361 5.546,1362 11.254,1363 6.932,1364 10.209,1365 0.292,1366 0.137,1367 9.587,1368 4.778,1369 8.554,1370 0.19,1371 0.072,1372 8.143,1373 3.22,1374 6.696,1375 0.122,1376 0.037,1377 6.544,1378 2.046,1379 5.063,1380 0.08,1381 0.02,1382 4.852,1383 1.254,1384 0.34,1385 74.845,1386 0.24,1387 23.607,1388 0.585,1389 122,1390 525.898,1391 140.879,1392 473.206,1393 621.92,1394 438,1395 141,1396 446.517,1397 159.849,1398 438.949,1399 631.33,1400 410,1401 4.299}
{0 CHEMBL1358722,1 1.458,2 7.5,3 0.793,4 0.629,5 73.089,6 6.544,8 3.823,9 3.947,10 3.244,11 3.313,12 4.845,13 3.269,14 4.453,15 4.638,16 3.644,17 3.777,18 5.424,19 3.693,20 4.865,21 5.088,22 3.728,23 3.978,24 5.88,25 3.865,26 4.968,27 5.233,28 3.674,29 3.919,30 6.096,31 3.783,32 4.808,33 5.055,34 3.454,35 3.763,36 5.874,37 3.632,38 4.739,39 5.013,40 3.359,41 3.643,42 5.894,43 3.493,44 4.523,45 4.804,46 3.224,47 3.489,48 5.5,49 3.357,50 4.316,51 4.556,52 3.153,53 3.314,54 5.655,55 3.19,56 0.038,57 0.583,58 10.159,59 4.459,60 13.279,61 6.001,62 0.178,63 0.975,64 19.553,65 7.884,66 40.023,67 10.994,68 0.369,69 1.256,70 30.558,71 10.346,72 86.448,73 14.837,74 0.682,75 1.225,76 34.526,77 10.553,78 156.6,79 15.622,80 0.511,81 1.047,82 29.537,83 8.78,84 110.235,85 12.857,86 0.714,87 0.941,88 27.763,89 8.013,90 136.82,91 12.031,92 0.341,93 0.801,94 21.928,95 6.557,96 69.009,97 9.919,98 0.439,99 0.675,100 17.947,101 5.346,102 101.902,103 8.075,104 37,105 30,106 0.262,107 0.509,108 0.763,109 0.837,110 0.853,111 0.853,112 3.058,113 1.058,114 -2.25,115 -2.29,116 -2.25,120 34.9,121 2,122 5,123 4,128 1,157 1,159 2,174 9,177 4,180 2,182 4,185 11,189 5,194 3,197 8,200 1,201 6,204 1,206 5,209 7,214 2,219 3,222 7,227 4,230 2,231 1,232 1,235 7,240 2,245 1,247 6,251 2,252 4,255 1,257 2,264 6,269 3,274 470,275 12.671,276 12.671,277 12.671,278 12.671,279 12.671,280 12.256,281 14.136,282 7.291,283 12.679,284 10.335,285 10.335,286 10.335,287 10.335,288 10.335,289 9.527,290 13.181,291 3.481,292 10.317,293 3.968,294 2.599,295 1.187,296 0.779,297 0.686,298 0.686,299 3.705,306 1,307 1,308 306,309 2.739,313 137.31,320 1.15,321 36.548,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 44.5,333 150,334 4.2,335 3.872,336 6.577,337 4.103,338 3.095,339 3.338,340 2.178,341 10.266,342 3.118,343 3.952,344 3.753,345 5.721,346 3.776,347 2.771,348 3.135,349 1.997,350 8.029,351 2.774,352 3.424,353 3.364,354 5.475,355 3.338,356 2.354,357 2.445,358 1.798,359 6.868,360 2.306,361 3.303,362 2.753,363 4.971,364 3.091,365 2.076,366 2.414,368 5.737,369 2.103,370 3.175,371 2.352,372 4.874,373 2.932,374 1.908,375 2.187,377 5.537,378 1.961,379 2.992,380 2.183,381 4.618,382 2.906,383 1.879,384 1.992,386 4.963,387 1.898,388 2.372,389 1.731,390 4.201,391 2.244,392 1.261,393 1.326,395 3.442,396 1.229,397 1.655,398 1.205,399 3.055,400 1.387,401 0.328,402 0.391,404 0.785,405 0.344,406 1,407 0.857,408 2.72,409 0.761,410 -0.198,411 -0.199,413 -0.55,414 -0.188,415 1,416 0.737,417 2.535,418 0.718,419 -0.347,420 -0.414,422 -0.891,423 -0.365,424 0.782,425 0.16,426 2.382,427 0.538,428 -0.467,429 -0.472,431 -1.185,432 -0.464,433 0.525,434 -0.33,435 2.101,436 0.467,437 -0.583,438 -0.732,440 -1.353,441 -0.599,442 0.299,443 -0.4,444 1.621,445 0.183,446 -0.823,447 -0.865,449 -2.024,450 -0.813,451 -0.069,452 -0.585,453 1.522,454 -0.176,455 -1.174,456 -1.426,458 -3.058,459 -1.188,460 -0.166,461 -0.874,462 1.29,463 -0.313,464 -1.359,465 -1.494,467 -3.703,468 -1.417,469 9.233,470 0.462,471 0.723,472 0.036,473 16.5,474 0.825,475 4.5,476 0.225,477 12,478 0.6,479 22.775,480 1.139,481 24.367,482 0.567,483 10.842,484 0.542,485 2.488,486 0.124,487 6.875,488 0.344,489 0.253,491 0.433,496 0.671,497 1.36,498 0.916,499 1.276,500 0.604,501 1.16,502 0.485,503 1.288,504 0.874,505 1.282,506 0.526,507 1.18,508 0.997,509 1.168,510 1.096,511 1.205,512 0.986,513 1.175,514 0.899,515 0.938,516 0.907,517 0.965,518 0.919,519 0.945,520 1.291,521 1.017,522 1.155,523 1.046,524 1.238,525 1.073,526 0.957,527 0.806,528 0.948,529 0.832,530 0.924,531 0.886,532 0.954,533 0.856,534 0.853,535 0.825,536 0.991,537 0.818,538 0.71,539 1.194,540 0.997,541 1.177,542 0.786,543 1.15,544 6,546 2.222,547 2.188,548 1.458,549 0.493,550 0.368,551 0.259,552 0.235,553 0.063,554 3321,555 9146,556 1.911,557 53.5,558 12,559 1,562 2,563 6,564 2,567 1.62,568 1.714,569 2.945,570 0.361,572 1,574 1,575 62.684,576 1.458,577 2.827,578 4.24,579 4.647,580 4.74,581 4.74,582 2.228,583 3.684,584 4.299,585 3.095,586 588.098,587 7.352,588 6065.18,590 1,593 233.329,594 1.571,595 4.201,596 0.286,598 0.074,599 0.073,600 0.054,601 0.023,602 0.019,603 0.014,604 0.016,605 0.007,606 0.567,607 0.67,608 1,609 0.737,610 87.938,611 -0.056,612 0.031,613 0.005,614 0.059,615 -0.031,616 0.047,617 0.118,618 -0.067,619 0.037,620 -0.075,621 0.05,622 -0.047,623 -0.106,624 -0.109,625 -0.138,626 -0.145,627 -0.093,628 -0.146,629 0.071,630 -0.026,631 0.063,632 -0.011,633 0.063,634 0.021,635 -0.176,636 -0.081,637 -0.158,638 -0.09,639 -0.149,640 -0.117,641 0.093,642 0.074,643 0.038,644 0.077,645 0.062,646 0.048,647 -0.06,648 0.06,649 0.108,650 0.106,651 -0.059,652 0.138,653 0.257,654 -0.193,655 -0.02,656 -0.202,657 0.232,658 -0.175,659 2.073,660 5.176,661 0.6,662 12.3,663 1.003,664 1.137,665 1.017,666 1.035,667 0.609,668 3.091,669 3.434,670 3.611,671 3.85,672 3.951,673 3.892,674 3.761,675 3.761,676 3.784,677 3.664,678 4.933,679 0.574,680 281.39,681 3.091,682 4.635,683 5.46,684 6.34,685 7.18,686 8.061,687 8.906,688 9.786,689 10.635,690 11.513,691 2.3,698 1,738 43,739 3,741 21,743 44,744 15,752 2,753 2,759 2,763 4,764 4,766 6,768 3,769 12,770 4,772 3,778 3,782 3,785 1,786 1,789 23,790 5,791 2,792 5,797 1,800 1,803 1,804 4,806 1,823 2,836 1,853 1,855 2,859 2,862 20,868 1,869 5,871 1,874 5,886 9.3,887 1,889 3,893 11.667,894 7.867,895 4.333,896 2.844,898 0.289,899 1.047,900 0.858,901 4.718,902 6.5,903 3.219,904 3.611,905 3.807,906 4.094,907 4.143,908 4.19,909 3.97,910 4.111,911 4.078,912 4.043,913 0.8,914 30,915 7.575,917 3.382,918 8.133,919 14.325,921 12.45,924 2.633,925 52.667,926 0.001,929 247.193,930 44.866,931 18.011,933 118.118,936 44.866,937 365.311,938 18.011,939 17.65,940 30.683,941 42.683,942 89.978,945 247.193,947 247.193,948 62.877,949 118.118,952 223.651,953 98.977,954 42.683,956 48.334,957 14.543,960 247.193,961 136.129,962 44.866,965 247.193,966 27.215,967 17.65,968 18.011,969 118.118,970 247.193,971 136.129,972 44.866,973 0.595,974 0.334,975 0.18,976 0.09,977 14,978 8,979 0.068,980 3,982 1,983 3.081,984 144.541,986 12,987 80.439,993 15.339,994 6.152,995 3.751,997 136.129,1005 60.694,1006 428.188,1007 24,1013 34.836,1017 -0.437,1020 43.131,1021 48.903,1022 0.269,1023 0.521,1024 0.781,1025 0.856,1026 0.874,1027 0.874,1028 4.511,1029 0.328,1030 5.485,1031 3.442,1032 4.111,1033 4.29,1034 3.007,1035 6.286,1036 4.116,1037 5.666,1038 -0.198,1039 7.05,1040 0.785,1041 3.892,1042 4.205,1043 2.74,1044 7.135,1045 3.911,1046 6.946,1047 -0.347,1048 8.706,1049 -0.55,1050 5.707,1051 6.061,1052 4.146,1053 10.212,1054 5.716,1055 8.239,1056 -0.467,1057 10.411,1058 -0.891,1059 6.176,1060 6.673,1061 4.405,1062 11.814,1063 6.203,1064 9.558,1065 -0.583,1066 12.147,1067 -1.185,1068 7.561,1069 8.093,1070 5.447,1071 14.453,1072 7.578,1073 10.892,1074 -0.823,1075 13.905,1076 -1.353,1077 8.36,1078 9.023,1079 5.947,1080 16.427,1081 8.395,1082 12.241,1083 -1.174,1084 15.682,1085 -2.024,1086 9.574,1087 10.284,1088 6.832,1089 18.886,1090 9.605,1091 3.095,1092 -1.359,1093 17.475,1094 -3.058,1095 10.536,1096 11.358,1097 7.454,1098 21.044,1099 10.582,1100 2.771,1101 10.266,1102 19.281,1103 -3.703,1104 11.683,1105 12.565,1106 8.266,1107 23.426,1108 11.729,1109 2.354,1110 8.029,1111 21.098,1112 3.338,1113 12.723,1114 13.702,1115 8.952,1116 25.673,1117 12.782,1118 2.076,1119 6.868,1120 22.925,1121 3.135,1122 13.845,1123 14.892,1124 9.732,1125 28.022,1126 13.909,1127 1.908,1128 5.737,1129 24.761,1130 2.445,1131 14.923,1132 16.057,1133 10.452,1134 30.311,1135 14.998,1136 1.879,1137 5.537,1138 26.604,1139 2.414,1140 16.038,1141 17.244,1142 11.219,1143 32.647,1144 16.119,1145 1.261,1146 4.963,1147 28.453,1148 2.187,1149 17.136,1150 18.422,1151 11.958,1152 34.956,1153 17.227,1154 3435,1155 5786,1156 12.948,1157 26.199,1158 31.86,1159 34.585,1160 33.269,1161 31.401,1162 31.346,1163 34.454,1164 11.948,1165 91.254,1166 31.467,1167 5.2,1168 5.815,1169 5.577,1170 5.139,1171 5.095,1172 5.338,1173 3.677,1174 17.382,1175 5.118,1176 12.989,1177 1.517,1178 1.647,1179 1.584,1180 1.495,1181 1.493,1182 1.641,1183 0.569,1184 4.345,1185 1.498,1186 3.976,1187 4.013,1188 3.879,1189 3.862,1190 7.447,1191 3.859,1192 3.843,1193 3.883,1194 3.754,1195 3.697,1196 7.425,1197 3.701,1198 3.481,1199 3.53,1200 3.352,1201 3.293,1202 7.411,1203 3.298,1204 3.375,1205 3.449,1206 3.198,1207 3.215,1208 6.448,1209 3.198,1210 3.166,1211 3.195,1212 3.084,1213 2.933,1214 4.265,1215 2.958,1216 3.13,1217 3.187,1218 2.976,1219 2.902,1220 4.106,1221 2.914,1222 2.849,1223 2.929,1224 2.674,1225 2.539,1226 3.874,1227 2.547,1228 2.733,1229 2.837,1230 2.446,1231 2.46,1232 3.689,1233 2.437,1234 0.2,1235 0.184,1236 0.313,1237 0.195,1238 0.147,1239 4.2,1240 0.159,1241 3.872,1242 0.104,1243 6.577,1244 0.489,1245 4.103,1246 0.148,1247 3.095,1248 3.338,1249 2.178,1250 10.266,1251 3.118,1252 1.936,1253 1.899,1254 2.115,1255 2.075,1256 1.503,1257 2.088,1258 1.81,1259 1.768,1260 1.996,1261 1.985,1262 1.357,1263 1.987,1264 1.438,1265 1.388,1266 1.717,1267 1.667,1268 0.981,1269 1.669,1270 1.393,1271 1.321,1272 1.667,1273 1.601,1274 0.893,1275 1.642,1276 1.081,1277 1.045,1278 1.388,1279 1.351,1280 0.579,1281 1.362,1282 1.08,1283 1.016,1284 1.352,1285 1.342,1286 0.564,1287 1.335,1288 0.814,1289 0.705,1290 1.256,1291 1.143,1292 0.421,1293 1.176,1294 0.727,1295 0.626,1296 1.094,1297 1.056,1298 0.212,1299 1.092,1300 3.761,1302 5.094,1304 6.605,1306 8.207,1308 9.855,1310 4.009,1314 10.341,1315 2.461,1317 2.258,1320 -0.801,1326 24.675,1327 62.684,1328 121.581,1329 182.31,1330 199.82,1331 203.82,1332 203.82,1333 70.093,1334 6.211,1335 83.47,1336 83.47,1337 12,1338 12.056,1339 2,1340 2,1341 36.341,1342 59,1343 46,1344 0.309,1345 153.866,1346 281.58,1347 367.193,1348 3261,1350 14.861,1351 0.743,1352 0.605,1353 14.861,1354 12.094,1355 9.363,1356 0.446,1357 0.353,1358 7.333,1359 9.026,1360 7.106,1361 5.877,1362 9.363,1363 7.409,1364 9.073,1365 0.302,1366 0.218,1367 9.073,1368 6.535,1369 6.734,1370 0.187,1371 0.126,1372 6.734,1373 4.53,1374 5.804,1375 0.126,1376 0.078,1377 5.804,1378 3.604,1379 3.939,1380 0.077,1381 0.047,1382 3.939,1383 2.372,1384 0.472,1385 58.896,1386 0.278,1387 19.67,1388 0.882,1389 102,1390 309.689,1391 112.69,1392 288.402,1393 363.48,1394 264,1395 117,1396 237.435,1397 126.306,1398 236.631,1399 340.68,1400 222,1401 6.18}
{0 CHEMBL1359342,1 1.624,2 10.148,3 5.649,4 31.915,5 117.521,6 9.156,7 0.567,8 3.902,9 3.995,10 3.741,11 3.649,12 4.996,13 3.559,14 4.427,15 4.575,16 4.122,17 4.057,18 5.413,19 3.941,20 4.634,21 4.797,22 4.191,23 4.194,24 5.615,25 4.046,26 4.736,27 4.945,28 4.244,29 4.22,30 5.714,31 4.05,32 4.658,33 4.83,34 4.321,35 4.215,36 5.687,37 4.051,38 4.654,39 4.818,40 4.203,41 4.163,42 5.803,43 4.005,44 4.624,45 4.825,46 3.804,47 4.039,48 5.655,49 3.862,50 4.561,51 4.803,52 3.673,53 3.883,54 5.56,55 3.699,56 0.009,57 0.588,58 6.885,59 3.872,60 7.618,61 4.883,62 0.121,63 1.068,64 18.965,65 7.675,66 10.233,67 8.791,68 0.115,69 1.255,70 23.757,71 9.736,72 17.904,73 11.7,74 0.241,75 1.477,76 31.539,77 11.872,78 30.169,79 14.017,80 0.135,81 1.399,82 32.403,83 11.839,84 18.811,85 12.832,86 0.249,87 1.42,88 32.106,89 10.379,90 38.506,91 10.743,92 0.172,93 1.323,94 29.004,95 10.805,96 35.121,97 12.076,98 0.206,99 1.186,100 25.315,101 9.682,102 42.373,103 11.965,104 11,105 42,106 0.277,107 0.651,108 0.813,109 0.857,110 0.857,111 0.857,112 3.341,113 1.095,114 -5.24,115 -5.13,116 -4.8,120 46.7,122 1,125 1,126 3,143 6,144 4,145 1,147 1,148 1,152 1,153 1,159 1,174 7,177 7,185 14,189 3,197 13,200 2,201 4,209 9,214 8,222 7,226 1,227 8,235 9,240 2,247 8,252 4,260 10,264 2,271 7,274 1092,275 18.524,276 18.524,277 18.524,278 18.524,279 18.524,280 16.345,281 18.068,282 10.908,283 19.209,284 14.763,285 14.763,286 14.763,287 14.763,288 14.763,289 11.372,290 19.406,291 5.12,292 15.937,293 3.868,294 1.671,295 0.717,296 0.461,297 0.461,298 0.461,299 4.038,303 1,307 1,308 598,309 2.739,312 57.779,313 220.038,317 117.074,320 1.35,321 16.847,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55.833,333 274,334 4.662,335 4.49,336 6.997,337 4.269,338 3.299,339 4.405,340 3.272,341 11.964,342 3.202,343 4.018,344 4.037,345 6,346 3.594,347 2.644,348 3.616,349 2.035,350 8.451,351 2.515,352 3.908,353 3.353,354 5.787,355 3.547,356 2.597,357 3.453,358 0.916,359 7.917,360 2.474,361 3.886,362 3.032,363 5.408,364 3.399,365 2.494,366 3.21,367 0.172,368 7.13,369 2.238,370 3.447,371 2.865,372 4.971,373 2.998,374 2.102,375 2.712,377 5.807,378 1.906,379 3.345,380 2.729,381 4.9,382 2.979,383 2.057,384 2.557,386 5.698,387 1.779,388 3.172,389 2.401,390 4.844,391 2.783,392 1.859,393 2.196,395 5.243,396 1.699,397 3.096,398 2.157,399 4.12,400 2.19,401 1.267,402 1.672,404 3.291,405 1.152,406 2.5,407 1.998,408 3.672,409 2.064,410 1.115,411 1.5,413 2.545,414 1.042,415 2.444,416 1.663,417 3.414,418 2,419 1,420 1.402,422 2.275,423 1,424 2.178,425 1.181,426 3.223,427 1.542,428 0.679,429 0.927,431 1.611,432 0.564,433 2.118,434 1,435 3.074,436 1.466,437 0.618,438 0.799,440 1.372,441 0.508,442 1.853,443 0.66,444 3,445 1.408,446 0.483,447 0.752,449 0.907,450 0.442,451 1.271,452 0.618,453 2.809,454 0.952,455 0.034,456 0.04,458 0.082,459 0.029,460 1.142,461 0.518,462 2.437,463 0.636,464 -0.233,465 -0.277,467 -0.522,468 -0.175,469 14.081,470 0.522,471 0.606,472 0.022,473 36.25,474 1.343,475 19.5,476 0.722,477 16.75,478 0.62,479 24.435,480 0.905,481 26.719,482 0.594,483 23.982,484 0.888,485 6.569,486 0.243,487 6.583,488 0.244,489 0.115,491 0.312,496 0.644,497 1.026,498 0.629,499 0.768,500 0.451,501 0.79,502 0.974,503 0.907,504 0.871,505 0.861,506 0.454,507 0.787,508 0.977,509 1.053,510 0.959,511 0.981,512 0.677,513 1.02,514 0.83,515 0.836,516 0.877,517 0.864,518 0.771,519 0.843,520 0.611,521 1.244,522 0.921,523 1.149,524 0.811,525 0.954,526 1.344,527 1.239,528 1.24,529 1.262,530 1.783,531 1.173,532 1,533 1.148,534 1.143,535 1.254,536 1.418,537 1.207,538 0.818,539 0.91,540 0.8,541 0.913,542 1.579,543 1.042,544 5,545 0.143,546 2.889,547 1.528,548 1.901,549 0.958,550 0.66,551 0.451,552 0.202,553 0.158,554 8367,555 24654,556 2.12,557 40,559 15,560 1,563 2,567 1.707,568 2,569 3.249,570 -0.769,575 73.081,576 1.624,577 3.82,578 4.775,579 5.031,580 5.031,581 5.031,582 2.689,583 4.459,584 4.723,585 3.416,586 1199.15,587 8.233,588 14942.4,593 247.133,594 1.352,595 4.694,596 0.167,597 0.009,598 0.069,599 0.036,600 0.044,601 0.021,602 0.017,603 0.015,604 0.008,605 0.007,606 0.392,607 0.33,608 1,609 0.704,610 131.734,611 0.009,612 -0.065,613 0.046,614 0.035,615 0.073,616 0.026,617 -0.098,618 0.127,619 -0.001,620 0.081,621 0.025,622 0.104,623 -0.099,624 -0.085,625 -0.068,626 -0.058,627 -0.019,628 -0.097,629 0.078,630 0.18,631 0.088,632 0.158,633 0.078,634 0.147,635 0.135,636 -0.209,637 0.09,638 -0.042,639 0.075,640 0.023,641 -0.202,642 -0.119,643 -0.222,644 -0.238,645 -0.227,646 -0.278,647 -0.204,648 -0.125,649 -0.267,650 -0.256,651 -0.16,652 -0.242,653 0.007,654 0.049,655 -0.013,656 -0.01,657 -0.145,658 -0.04,659 0.967,660 3.969,661 0.778,662 23.613,663 0.997,664 1.102,665 4.013,666 16.102,667 0.761,668 3.434,669 3.761,670 4.06,671 4.369,672 4.644,673 4.745,674 4.868,675 4.984,676 5.05,677 5.03,678 5.889,679 0.7,680 412.01,681 3.434,682 4.977,683 5.838,684 6.727,685 7.613,686 8.512,687 9.409,688 10.312,689 11.215,690 12.122,691 6.7,694 1,700 1,701 1,709 7,710 1,713 1,714 8,716 17,718 1,737 1,738 45,739 18,740 1,741 30,743 48,744 21,745 15,746 2,747 4,752 4,753 5,754 1,763 1,766 1,767 1,768 15,769 5,789 18,790 3,792 6,793 3,797 3,803 0.75,816 1,822 1,823 3,827 1,851 1,855 3,856 1,857 2,859 1,860 1,862 27,869 4,873 1,875 1,877 1,880 1,882 1,884 1,885 1,893 13.5,894 8.66,895 5.972,896 2.669,898 2.791,899 1.373,900 1.013,901 5.611,902 10.278,903 3.726,904 4.307,905 4.915,906 5.524,907 6.042,908 6.346,909 6.694,910 7,911 7.291,912 7.533,913 0.857,914 43,915 9.96,917 4.22,918 7.597,919 19.415,921 16.251,924 2.097,925 56.611,929 211.88,930 182.128,931 50.969,932 39.149,935 63.497,936 118.63,937 251.028,938 50.969,939 8.396,940 7.646,941 64.507,942 33.387,943 53.183,944 14.251,945 263.606,946 39.149,947 211.88,948 169.599,950 102.646,952 211.88,956 44.586,957 108.228,958 55.934,959 63.497,960 211.88,961 50.969,962 221.276,965 211.88,966 92.623,967 76.027,968 16.602,969 86.994,970 211.88,971 50.969,972 221.276,973 0.578,974 0.343,975 0.195,976 0.114,977 21,978 9,979 0.083,980 4,981 1,982 1.095,983 3.819,984 240.329,985 0.095,986 21,987 124.382,989 2,993 18.652,994 8.122,995 3.951,997 50.969,998 14.052,999 4.914,1002 1.683,1003 7.997,1006 484.125,1007 40.5,1020 44.851,1021 49.601,1022 0.296,1023 0.696,1024 0.869,1025 0.916,1026 0.916,1027 0.916,1028 4.972,1029 1.267,1030 5.82,1031 5.243,1032 4.443,1033 4.994,1034 3.472,1035 6.648,1036 4.305,1037 6.183,1038 1.115,1039 7.383,1040 3.291,1041 4.007,1042 4.745,1043 0.325,1044 7.594,1045 3.81,1046 7.491,1047 1,1048 9.048,1049 2.545,1050 6.043,1051 7.185,1052 5.582,1053 10.735,1054 5.816,1055 8.834,1056 0.679,1057 10.776,1058 2.275,1059 6.447,1060 7.802,1061 0.393,1062 12.569,1063 6.183,1064 10.21,1065 0.618,1066 12.547,1067 1.611,1068 7.932,1069 9.67,1070 7.863,1071 15.253,1072 7.647,1073 11.61,1074 0.483,1075 14.349,1076 1.372,1077 8.735,1078 10.703,1079 0.384,1080 17.47,1081 8.428,1082 13.03,1083 0.034,1084 16.176,1085 0.907,1086 10.011,1087 12.338,1088 10.199,1089 20.012,1090 9.685,1091 3.299,1092 -0.233,1093 18.022,1094 0.082,1095 11.012,1096 13.585,1097 0.351,1098 22.389,1099 10.667,1100 2.644,1101 11.964,1102 19.884,1103 -0.522,1104 12.214,1105 15.121,1106 12.557,1107 24.888,1108 11.849,1109 2.597,1110 8.451,1111 21.76,1112 4.405,1113 13.31,1114 16.479,1115 0.312,1116 27.328,1117 12.927,1118 2.494,1119 7.917,1120 23.647,1121 3.616,1122 14.491,1123 17.975,1124 14.923,1125 29.813,1126 14.086,1127 2.102,1128 7.13,1129 25.543,1130 3.453,1131 15.634,1132 19.391,1133 0.273,1134 32.278,1135 15.207,1136 2.057,1137 5.807,1138 27.448,1139 3.21,1140 16.812,1141 20.873,1142 17.292,1143 34.761,1144 16.362,1145 1.859,1146 5.698,1147 29.36,1148 2.712,1149 17.978,1150 22.319,1151 0.236,1152 37.236,1153 17.504,1154 7976,1155 13828,1156 20.285,1157 34.262,1158 46.154,1159 49.952,1160 46.039,1161 44.622,1162 44.495,1163 58.483,1164 12.792,1165 128.584,1166 41.099,1167 5.608,1168 6.49,1169 6.592,1170 5.398,1171 5.299,1172 7.405,1173 6.545,1174 19.498,1175 5.202,1176 11.689,1177 1.538,1178 1.665,1179 1.535,1180 1.487,1181 1.483,1182 1.949,1183 0.426,1184 4.286,1185 1.37,1186 4.05,1187 4.073,1188 4.259,1189 4.033,1190 6.82,1191 3.997,1192 3.9,1193 3.923,1194 4.052,1195 3.869,1196 4.942,1197 3.847,1198 3.76,1199 3.788,1200 3.934,1201 3.739,1202 4.817,1203 3.687,1204 3.55,1205 3.599,1206 3.674,1207 3.443,1208 4.6,1209 3.42,1210 3.198,1211 3.277,1212 3.406,1213 3.163,1214 4.328,1215 3.099,1216 3.185,1217 3.229,1218 3.184,1219 2.979,1220 4.211,1221 2.98,1222 3.038,1223 3.11,1224 3.058,1225 2.885,1226 3.716,1227 2.881,1228 2.854,1229 2.925,1230 2.889,1231 2.735,1232 3.678,1233 2.715,1234 0.155,1235 0.15,1236 0.233,1237 0.142,1238 0.11,1239 4.662,1240 0.147,1241 4.49,1242 0.109,1243 6.997,1244 0.399,1245 4.269,1246 0.107,1247 3.299,1248 4.405,1249 3.272,1250 11.964,1251 3.202,1252 1.966,1253 1.945,1254 2.042,1255 2.068,1256 1.333,1257 2.069,1258 1.893,1259 1.871,1260 1.989,1261 1.96,1262 1.154,1263 1.982,1264 1.571,1265 1.521,1266 1.722,1267 1.728,1268 0.939,1269 1.736,1270 1.445,1271 1.41,1272 1.599,1273 1.556,1274 0.723,1275 1.585,1276 1.276,1277 1.277,1278 1.522,1279 1.424,1280 0.678,1281 1.468,1282 1.182,1283 1.112,1284 1.363,1285 1.311,1286 0.643,1287 1.383,1288 1.122,1289 1.077,1290 1.288,1291 1.238,1292 0.505,1293 1.26,1294 1,1295 0.933,1296 1.181,1297 1.15,1298 0.364,1299 1.232,1300 4.111,1302 5.434,1303 2.398,1304 6.957,1305 4.443,1306 8.583,1307 6.293,1308 10.269,1310 2.121,1311 5.98,1315 3.523,1319 1.63,1321 2.294,1324 9.969,1325 2.447,1326 31.48,1327 73.081,1328 171.918,1329 214.869,1330 226.379,1331 226.379,1332 226.379,1333 39.293,1334 7.487,1335 39.92,1336 93.46,1337 23,1338 12.64,1339 4.248,1340 3.524,1341 39.96,1342 94,1343 115,1344 0.209,1345 204.34,1346 348.55,1347 490.349,1348 17009,1349 2.2,1350 18.803,1351 0.696,1352 0.641,1353 20.01,1354 17.295,1355 13.152,1356 0.438,1357 0.365,1358 8.844,1359 11.686,1360 8.356,1361 6.901,1362 14.349,1363 10.953,1364 11.735,1365 0.279,1366 0.213,1367 13.278,1368 8.932,1369 10.007,1370 0.176,1371 0.12,1372 11.654,1373 6.863,1374 8.494,1375 0.109,1376 0.067,1377 10.155,1378 5.197,1379 7.178,1380 0.07,1381 0.037,1382 8.703,1383 3.851,1384 0.32,1385 92.63,1386 0.222,1387 25.524,1388 0.601,1389 144,1390 374.86,1391 209.137,1392 448.642,1393 605.16,1394 420,1395 171,1396 388.306,1397 224.504,1398 439.186,1399 642.4,1400 411,1401 4.996}
{0 CHEMBL1359575,1 1.627,2 11.125,3 2.804,4 7.865,5 89.154,6 7.866,7 0.48,8 3.835,9 3.934,10 3.427,11 3.311,12 5.082,13 3.318,14 4.327,15 4.475,16 3.716,17 3.643,18 5.641,19 3.637,20 4.492,21 4.654,22 3.805,23 3.762,24 5.725,25 3.74,26 4.6,27 4.778,28 3.712,29 3.726,30 5.833,31 3.69,32 4.595,33 4.804,34 3.558,35 3.643,36 5.757,37 3.58,38 4.481,39 4.704,40 3.427,41 3.53,42 5.837,43 3.433,44 4.371,45 4.629,46 3.248,47 3.414,48 5.38,49 3.313,50 4.216,51 4.442,52 3.244,53 3.315,54 5.386,55 3.252,56 0.174,57 0.572,58 7.817,59 3.813,60 6.959,61 4.591,62 0.461,63 0.843,64 15.372,65 5.987,66 56.82,67 7.359,68 0.423,69 0.995,70 18.013,71 7.084,72 31.738,73 9.014,74 0.537,75 1.028,76 21.558,77 7.456,78 68.672,79 9.434,80 0.677,81 0.984,82 23.124,83 7.296,84 65.494,85 9.516,86 0.726,87 0.872,88 20.859,89 6.769,90 102.934,91 9.394,92 0.487,93 0.769,94 19.668,95 6.266,96 60.191,97 8.875,98 0.474,99 0.68,100 16.026,101 5.061,102 58.824,103 6.89,104 35,105 33,106 0.285,107 0.61,108 0.749,109 0.839,110 0.848,111 0.856,112 3.227,113 0.874,114 -4.03,115 -3.98,116 -3.77,120 40.5,122 1,125 2,126 1,143 7,144 2,145 3,159 1,167 2,174 8,176 1,177 5,180 1,182 2,185 8,188 1,189 12,194 3,197 4,201 10,206 3,209 1,213 1,214 5,217 1,219 2,222 3,226 2,227 2,230 3,235 5,240 2,243 1,247 7,251 1,252 4,260 5,263 1,264 7,271 3,274 790,275 16.085,276 16.085,277 16.085,278 16.085,279 16.085,280 14.241,281 19.931,282 9.502,283 16.525,284 12.171,285 12.171,286 12.171,287 12.171,288 12.171,289 9.242,290 20.575,291 4.282,292 12.644,293 3.766,294 1.917,295 1.123,296 0.607,297 0.56,298 0.512,299 3.889,305 1,306 1,307 1,308 545,309 3.674,313 181.971,320 1.635,321 32.37,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54,333 267,334 4.325,335 3.783,336 6.165,337 3.897,338 2.909,339 4.015,340 2.612,341 9.124,342 2.882,343 4.264,344 3.55,345 6.135,346 3.851,347 2.893,348 3.909,349 1.058,350 8.971,351 2.765,352 3.971,353 3.208,354 5.786,355 3.523,356 2.54,357 3.423,358 0.86,359 7.69,360 2.485,361 3.559,362 2.59,363 5.252,364 3.241,365 2.267,366 2.865,367 0.86,368 6.64,369 2.194,370 3.219,371 2.297,372 4.368,373 2.666,374 1.679,375 2.449,377 4.141,378 1.651,379 2.919,380 2.177,381 4.277,382 2.521,383 1.609,384 2.057,386 4.055,387 1.461,388 2.687,389 1.6,390 3.711,391 2.249,392 1.272,393 1.687,395 2.882,396 1.24,397 2.57,398 1.523,399 3.437,400 2,401 1,402 1.574,404 2.324,405 1,406 2.216,407 1.149,408 3.315,409 1.899,410 0.895,411 1.116,413 2.034,414 0.89,415 1.88,416 1.103,417 3.009,418 1.572,419 0.66,420 0.779,422 1.209,423 0.595,424 1.469,425 1,426 2.654,427 1.206,428 0.351,429 0.381,431 0.476,432 0.297,433 1.106,434 0.936,435 2.46,436 0.846,437 -0.12,438 -0.14,440 -0.244,441 -0.115,442 1,443 0.441,444 2.232,445 0.352,446 -0.592,447 -0.691,449 -1.135,450 -0.544,451 0.817,452 -0.036,453 2,454 0.325,455 -0.678,456 -0.961,458 -1.575,459 -0.674,460 0.673,461 -0.352,462 1.936,463 0.167,464 -0.834,465 -1.101,467 -2,468 -0.806,469 10.967,470 0.457,471 0.541,472 0.023,473 32.5,474 1.354,475 17.5,476 0.729,477 15,478 0.625,479 15.863,480 0.661,481 26.833,482 0.639,483 24.813,484 1.034,485 6.896,486 0.287,487 4.65,488 0.194,489 0.182,491 0.31,496 0.587,497 1.221,498 0.718,499 1.138,500 0.524,501 0.996,502 0.893,503 0.973,504 0.838,505 0.908,506 0.51,507 0.867,508 0.79,509 1.208,510 0.884,511 1.164,512 0.658,513 1.064,514 1.164,515 1.266,516 1.134,517 1.218,518 1.21,519 1.179,520 1.164,521 0.978,522 1.158,523 1.009,524 1.031,525 1.072,526 0.676,527 0.954,528 1.016,529 1.03,530 0.641,531 1.106,532 0.766,533 0.792,534 0.835,535 0.819,536 0.793,537 0.845,538 0.894,539 0.818,540 0.935,541 0.827,542 1.018,543 0.87,544 5,545 0.107,546 2.889,547 1.438,548 1.156,549 0.826,550 0.325,551 0.196,552 0.193,553 0.182,554 6401,555 22572,556 1.948,557 42.9,559 15,562 1,564 2,567 1.664,568 1.8,569 3.465,570 -0.26,571 1,572 1,574 1,575 68.322,576 1.627,577 3.475,578 4.269,579 4.785,580 4.833,581 4.88,582 2.887,583 4.085,584 4.56,585 3.62,586 999.102,587 7.839,588 12408.9,589 1,590 1,592 1,593 226.477,594 1.49,595 4.498,596 0.2,597 0.006,598 0.088,599 0.041,600 0.039,601 0.033,602 0.015,603 0.01,604 0.01,605 0.01,606 0.452,607 0.33,608 1,609 1.038,610 116.762,611 0.106,612 -0.007,613 0.049,614 -0.038,615 -0.011,616 -0.022,617 0.007,618 0.101,619 0.05,620 0.132,621 0.151,622 0.107,623 0.01,624 -0.141,625 -0.002,626 -0.13,627 0.033,628 -0.076,629 -0.185,630 -0.269,631 -0.186,632 -0.232,633 -0.164,634 -0.214,635 -0.155,636 -0.02,637 -0.16,638 -0.058,639 -0.117,640 -0.105,641 0.209,642 -0.008,643 -0.022,644 -0.066,645 0.281,646 -0.106,647 0.019,648 0.103,649 0.183,650 0.152,651 -0.003,652 0.2,653 -0.008,654 0.141,655 0.059,656 0.135,657 -0.066,658 0.127,659 2.527,660 5.055,661 0.5,662 20.736,663 1.022,664 1.128,665 2.796,666 7.819,667 0.652,668 3.258,669 3.526,670 3.738,671 3.871,672 4.025,673 3.951,674 3.892,675 3.738,676 3.761,677 3.85,678 6.692,679 0.639,680 330.37,681 3.258,682 4.762,683 5.58,684 6.422,685 7.256,686 8.1,687 8.938,688 9.781,689 10.621,690 11.464,691 4.8,698 1,702 1,709 7,714 5,716 12,723 1,731 1,735 2,738 42,739 15,740 2,741 25,743 43,744 17,745 12,746 5,747 7,748 1,752 2,753 2,766 1,768 13,769 4,772 3,775 1,778 3,782 1,785 1,786 1,789 18,790 6,791 1,792 7,797 2,803 1,804 5,823 2,855 2,859 2,862 24,869 2,871 1,872 2,886 11.9,889 1,891 2,892 2,893 13.333,894 8.117,895 5.583,896 2.263,898 2.3,899 1.352,900 0.922,901 6.294,902 8.833,903 3.555,904 4.111,905 4.61,906 5.063,907 5.548,908 5.599,909 5.69,910 5.44,911 5.446,912 5.779,913 1,914 35,915 8.829,917 3.626,918 8.146,919 16.187,921 12.346,924 2.646,925 63.5,928 1,929 200.109,930 117.059,931 23.681,933 97.892,936 117.059,937 298,938 23.681,939 27.436,940 22.651,941 66.334,942 29.85,943 41.615,945 200.109,946 50.747,947 200.109,948 140.74,949 97.892,952 176.567,953 70.687,954 50.747,956 22.651,957 112.419,958 5.67,960 200.109,961 121.572,962 117.059,965 200.109,966 28.96,967 93.77,968 18.011,969 97.892,970 200.109,971 121.572,972 117.059,973 0.567,974 0.339,975 0.17,976 0.089,977 13,978 7,979 0.163,980 7,982 1,983 3.605,984 175.354,986 12,987 108.039,993 17.918,994 8.431,995 4.781,997 115.902,998 11.169,1003 2.396,1005 18.011,1006 438.741,1007 34,1010 -0.527,1013 33.533,1017 -0.348,1020 42.909,1021 47.365,1022 0.302,1023 0.644,1024 0.792,1025 0.887,1026 0.896,1027 0.905,1028 4.754,1029 1,1030 5.549,1031 2.882,1032 4.205,1033 4.796,1034 2.856,1035 6.304,1036 4.142,1037 5.952,1038 0.895,1039 7.086,1040 2.324,1041 3.761,1042 4.649,1043 2.361,1044 7.144,1045 3.686,1046 7.253,1047 0.66,1048 8.721,1049 2.034,1050 5.753,1051 6.968,1052 4.226,1053 10.154,1054 5.641,1055 8.59,1056 0.351,1057 10.413,1058 1.209,1059 6.111,1060 7.606,1061 4.506,1062 11.772,1063 5.977,1064 9.956,1065 -0.12,1066 12.139,1067 0.476,1068 7.567,1069 9.417,1070 5.959,1071 14.282,1072 7.41,1073 11.341,1074 -0.592,1075 13.886,1076 -0.244,1077 8.288,1078 10.404,1079 6.556,1080 16.216,1081 8.103,1082 12.741,1083 -0.678,1084 15.649,1085 -1.135,1086 9.519,1087 12.002,1088 7.796,1089 18.54,1090 9.317,1091 2.909,1092 -0.834,1093 17.421,1094 -1.575,1095 10.414,1096 13.163,1097 8.548,1098 20.614,1099 10.181,1100 2.893,1101 9.124,1102 19.202,1103 -2,1104 11.546,1105 14.657,1106 9.67,1107 22.863,1108 11.297,1109 2.54,1110 8.971,1111 20.987,1112 4.015,1113 12.524,1114 15.911,1115 10.509,1116 25.001,1117 12.246,1118 2.267,1119 7.69,1120 22.777,1121 3.909,1122 13.613,1123 17.352,1124 11.563,1125 27.22,1126 13.318,1127 1.679,1128 6.64,1129 24.571,1130 3.423,1131 14.631,1132 18.658,1133 12.452,1134 29.389,1135 14.31,1136 1.609,1137 4.141,1138 26.367,1139 2.865,1140 15.703,1141 20.07,1142 13.468,1143 31.596,1144 15.363,1145 1.272,1146 4.055,1147 28.165,1148 2.449,1149 16.742,1150 21.406,1151 14.386,1152 33.781,1153 16.378,1154 6508,1155 12369,1156 16.008,1157 27.375,1158 36.235,1159 38.577,1160 38.133,1161 36.04,1162 36.149,1163 48.513,1164 10.782,1165 99.094,1166 34.918,1167 5.223,1168 5.783,1169 5.727,1170 4.907,1171 4.909,1172 7.015,1173 4.612,1174 15.379,1175 4.882,1176 14.258,1177 1.449,1178 1.543,1179 1.525,1180 1.442,1181 1.446,1182 1.941,1183 0.431,1184 3.964,1185 1.397,1186 4.009,1187 4.034,1188 3.97,1189 3.895,1190 7.815,1191 3.902,1192 3.933,1193 3.952,1194 3.882,1195 3.844,1196 7.429,1197 3.849,1198 3.602,1199 3.643,1200 3.561,1201 3.339,1202 6.999,1203 3.363,1204 3.447,1205 3.484,1206 3.348,1207 3.105,1208 4.93,1209 3.172,1210 3.248,1211 3.314,1212 3.129,1213 2.964,1214 4.665,1215 3,1216 3.246,1217 3.305,1218 3.051,1219 2.947,1220 4.496,1221 2.959,1222 3.068,1223 3.122,1224 2.888,1225 2.861,1226 4.34,1227 2.857,1228 2.782,1229 2.857,1230 2.597,1231 2.644,1232 4.047,1233 2.622,1234 0.173,1235 0.151,1236 0.247,1237 0.156,1238 0.116,1239 4.325,1240 0.161,1241 3.783,1242 0.104,1243 6.165,1244 0.365,1245 3.897,1246 0.115,1247 2.909,1248 4.015,1249 2.612,1250 9.124,1251 2.882,1252 1.933,1253 1.911,1254 2.035,1255 2.091,1256 1.233,1257 2.058,1258 1.903,1259 1.884,1260 2.003,1261 2.015,1262 1.092,1263 2.011,1264 1.49,1265 1.434,1266 1.715,1267 1.777,1268 0.881,1269 1.739,1270 1.245,1271 1.216,1272 1.576,1273 1.632,1274 0.574,1275 1.564,1276 1.192,1277 1.116,1278 1.544,1279 1.523,1280 0.568,1281 1.539,1282 1.159,1283 1.093,1284 1.303,1285 1.476,1286 0.317,1287 1.486,1288 1.027,1289 0.976,1290 1.238,1291 1.265,1292 0.213,1293 1.263,1294 0.809,1295 0.74,1296 1.101,1297 0.997,1298 0.184,1299 1.037,1300 3.932,1302 5.209,1304 6.686,1306 8.249,1308 9.855,1310 3.127,1315 0.998,1317 2.746,1318 10.406,1326 26.831,1327 68.322,1328 145.955,1329 179.316,1330 200.968,1331 202.968,1332 204.968,1333 58.479,1334 6.534,1335 93.38,1336 93.38,1337 12,1338 12.028,1339 4,1340 3.322,1341 48.775,1342 99,1343 82,1344 0.243,1345 169.204,1346 300.97,1347 404.618,1348 5533,1350 17.527,1351 0.73,1352 0.56,1353 17.527,1354 13.444,1355 11.545,1356 0.462,1357 0.291,1358 7.123,1359 10.854,1360 6.923,1361 5.805,1362 11.545,1363 7.284,1364 9.855,1365 0.299,1366 0.152,1367 9.855,1368 5.003,1369 8.072,1370 0.197,1371 0.085,1372 8.072,1373 3.466,1374 6.077,1375 0.129,1376 0.047,1377 6.077,1378 2.219,1379 4.68,1380 0.085,1381 0.026,1382 4.68,1383 1.438,1384 0.393,1385 74.432,1386 0.25,1387 23.894,1388 0.637,1389 116,1390 454.656,1391 131.869,1392 422.495,1393 549.31,1394 390,1395 132,1396 384.782,1397 147.568,1398 383.976,1399 546.68,1400 355,1401 5.646}
{0 CHEMBL1360875,1 1.488,2 9.903,3 3.902,4 15.222,5 119.376,6 7.573,7 0.486,8 4.122,9 4.219,10 3.714,11 3.681,12 5.226,13 3.671,14 4.674,15 4.824,16 4.087,17 4.091,18 5.699,19 4.071,20 4.883,21 5.033,22 4.289,23 4.298,24 5.951,25 4.264,26 5.013,27 5.168,28 4.334,29 4.383,30 6.092,31 4.336,32 5.162,33 5.34,34 4.303,35 4.438,36 6.19,37 4.37,38 5.173,39 5.372,40 4.213,41 4.405,42 6.168,43 4.311,44 5.177,45 5.429,46 4.132,47 4.275,48 6.184,49 4.173,50 4.982,51 5.212,52 3.93,53 4.072,54 5.989,55 3.985,56 0.028,57 0.742,58 10.819,59 5.298,60 8.169,61 6.426,62 0.272,63 1.232,64 21.848,65 8.905,66 24.008,67 10.909,68 0.397,69 1.544,70 26.382,71 11.138,72 32.896,73 14.119,74 0.379,75 1.746,76 30.214,77 12.654,78 40.767,79 15.994,80 0.654,81 1.948,82 37.754,83 14.573,84 57.688,85 18.144,86 0.455,87 1.97,88 38.383,89 15.116,90 52.225,91 19.602,92 0.662,93 1.916,94 42.095,95 15.101,96 80.075,97 20.82,98 0.568,99 1.521,100 34.574,101 12.308,102 61.701,103 15.997,104 26,105 51,106 0.243,107 0.596,108 0.744,109 0.804,110 0.813,111 0.837,112 3.473,113 0.889,114 -3.44,115 -3.41,116 -3.26,120 45.5,122 3,125 3,128 1,137 2,143 6,144 3,145 4,146 1,147 1,157 1,174 11,177 7,182 4,185 13,188 2,189 9,194 5,197 14,200 1,201 7,204 1,206 3,209 16,214 7,217 3,219 2,222 19,227 6,230 1,235 11,239 3,240 13,247 5,251 1,252 12,260 2,264 5,274 1464,275 21.61,276 21.61,277 21.61,278 21.61,279 21.61,280 19.309,281 26.868,282 12.403,283 22.201,284 17.095,285 17.095,286 17.095,287 17.095,288 17.095,289 13.257,290 37.532,291 5.568,292 17.752,293 4.293,294 2.135,295 1.228,296 0.86,297 0.81,298 0.659,299 4.184,306 1,307 1,308 675,309 3,313 283.546,317 259.378,320 1.461,321 30.103,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 67,333 307,334 4.743,335 3.812,336 7.131,337 4.382,338 3.389,339 4.583,340 1.277,341 12.462,342 3.365,343 4.452,344 3.396,345 6.644,346 4.049,347 3.086,348 4.134,349 1.193,350 10.661,351 2.989,352 4.287,353 3.274,354 6.492,355 3.88,356 2.9,357 3.837,358 0.86,359 10.098,360 2.824,361 3.725,362 3.015,363 5.883,364 3.406,365 2.424,366 3.146,367 0.86,368 8.052,369 2.368,370 3.685,371 2.555,372 5.718,373 3.319,374 2.338,375 2.97,376 0.86,377 7.561,378 2.29,379 3.355,380 2.554,381 5.19,382 2.972,383 2.061,384 2.604,385 0.14,386 6.118,387 1.92,388 3.306,389 2.307,390 5.095,391 2.926,392 1.925,393 2.587,395 5.773,396 1.867,397 3.047,398 2.029,399 4.653,400 2.565,401 1.565,402 2.18,404 4.527,405 1.56,406 2.917,407 1.74,408 4.469,409 2.514,410 1.534,411 2.09,413 4.131,414 1.502,415 2.665,416 1.638,417 3.839,418 2.383,419 1.403,420 1.685,422 3.045,423 1.372,424 2.287,425 1.453,426 3.69,427 2.096,428 1.18,429 1.255,431 2.718,432 1.078,433 2.255,434 1.266,435 3.592,436 1.873,437 0.978,438 1.139,440 2.144,441 0.862,442 2.095,443 1.001,444 3.471,445 1.742,446 0.771,447 1.052,449 1.853,450 0.747,451 1.576,452 0.916,453 3.01,454 1.27,455 0.396,456 0.452,458 0.603,459 0.342,460 1.411,461 0.823,462 2.859,463 1.16,464 0.318,465 0.339,467 0.411,468 0.265,469 14.633,470 0.472,471 0.688,472 0.022,473 41.25,474 1.331,475 21,476 0.677,477 20.25,478 0.653,479 27.839,480 0.898,481 32.767,482 0.596,483 33.548,484 1.082,485 8.194,486 0.264,487 6.962,488 0.225,489 0.125,491 0.41,496 0.799,497 1.187,498 0.745,499 1.072,500 0.614,501 0.925,502 1.202,503 0.913,504 0.834,505 0.781,506 0.804,507 0.749,508 0.789,509 1.08,510 0.824,511 0.967,512 0.942,513 0.91,514 0.898,515 1.18,516 0.983,517 1.127,518 1.102,519 1.077,520 1.269,521 0.979,522 1.161,523 0.997,524 1.192,525 1.053,526 1.017,527 1.151,528 1.137,529 1.17,530 1.105,531 1.174,532 0.747,533 0.891,534 0.834,535 0.923,536 0.896,537 0.892,538 1.228,539 0.898,540 1.002,541 0.939,542 1.078,543 0.933,544 5,545 0.14,546 3.778,547 2.75,548 2.92,549 1.257,550 1.031,551 0.734,552 0.394,553 0.261,554 11243,555 29237,556 2.14,557 43.6,558 4,559 16,561 1,562 1,563 2,567 1.745,568 2,569 3.257,570 -0.393,572 1,575 81.839,576 1.488,577 3.646,578 4.553,579 4.922,580 4.972,581 5.122,582 2.721,583 4.632,584 4.926,585 3.388,586 1575.3,587 8.654,588 20821.8,590 1,593 317.975,594 1.418,595 4.886,596 0.143,597 0.008,598 0.074,599 0.045,600 0.047,601 0.021,602 0.02,603 0.016,604 0.01,605 0.01,606 0.394,607 0.33,608 0.88,609 0.867,610 155.789,611 -0.026,612 -0.088,613 0.067,614 -0.046,615 -0.012,616 0.016,617 -0.154,618 0.134,619 0.084,620 0.214,621 -0.057,622 0.194,623 0.108,624 -0.024,625 0.071,626 0.031,627 0.003,628 0.043,629 0.025,630 -0.13,631 -0.08,632 -0.136,633 -0.034,634 -0.128,635 -0.14,636 0.033,637 -0.199,638 -0.019,639 -0.127,640 -0.106,641 -0.082,642 -0.158,643 -0.18,644 -0.185,645 -0.094,646 -0.198,647 0.169,648 0.065,649 0.192,650 0.047,651 0.199,652 0.116,653 -0.035,654 0.033,655 0.042,656 0.033,657 0.057,658 0.051,659 1.627,660 6.189,661 0.774,662 25.831,663 1.004,664 1.116,665 2.205,666 4.862,667 0.676,668 3.584,669 3.951,670 4.344,671 4.71,672 5.043,673 5.22,674 5.468,675 5.687,676 5.886,677 5.966,678 5.845,679 0.649,680 416.51,681 3.584,682 5.153,683 6.057,684 6.98,685 7.904,686 8.836,687 9.766,688 10.702,689 11.637,690 12.575,691 3.6,696 1,701 1,708 2,709 7,710 1,714 6,716 17,729 1,735 3,738 55,739 19,740 2,741 35,743 59,744 25,745 15,746 8,747 4,748 3,752 5,753 11,763 4,766 4,768 18,769 7,772 2,778 1,782 3,786 1,789 24,790 6,791 1,792 6,797 2,803 0.4,804 4,816 1,823 5,827 3,836 1,846 2,855 2,859 3,862 31,869 3,871 1,872 3,874 1,886 7.3,889 1,891 3,893 15.5,894 11.033,895 6.944,896 3.263,898 3.863,899 1.451,900 1.005,901 5.165,902 12.432,903 3.839,904 4.489,905 5.169,906 5.815,907 6.439,908 6.829,909 7.315,910 7.789,911 8.269,912 8.572,913 0.857,914 61,915 11.496,917 4.991,918 7.667,919 22.098,921 18.636,924 2.167,925 67.167,927 1,928 1,929 270.735,930 147.238,931 34.796,933 58.145,936 147.238,937 328.88,938 34.796,939 32.649,940 7.604,941 56.857,942 76.846,943 77.994,945 258.964,947 270.735,948 182.034,949 58.145,952 270.735,953 58.145,956 18.795,957 128.442,958 34.796,960 270.735,961 92.941,962 147.238,965 270.735,966 48.684,967 98.554,968 18.011,969 74.93,970 270.735,971 92.941,972 147.238,973 0.579,974 0.374,975 0.225,976 0.129,977 27,978 12,979 0.068,980 4,981 3,982 1.25,983 3.954,984 315.867,985 0.25,986 24,987 145.58,993 20.044,994 7.989,995 3.2,996 1.997,997 92.941,998 13.719,999 4.505,1003 4.667,1005 18.011,1006 510.914,1007 45.5,1013 13.189,1017 2.116,1020 55.232,1021 61.401,1022 0.257,1023 0.631,1024 0.788,1025 0.851,1026 0.86,1027 0.886,1028 5.107,1029 1.565,1030 6.061,1031 5.773,1032 4.635,1033 5.176,1034 2.401,1035 6.969,1036 4.576,1037 6.336,1038 1.534,1039 7.676,1040 4.527,1041 4.29,1042 5.103,1043 0.747,1044 8.054,1045 4.231,1046 7.678,1047 1.403,1048 9.392,1049 4.131,1050 6.312,1051 7.46,1052 2.488,1053 11.228,1054 6.217,1055 9.06,1056 1.18,1057 11.17,1058 3.045,1059 6.815,1060 8.218,1061 1.15,1062 13.139,1063 6.715,1064 10.476,1065 0.978,1066 12.987,1067 2.718,1068 8.298,1069 10.057,1070 2.72,1071 15.843,1072 8.178,1073 11.916,1074 0.771,1075 14.829,1076 2.144,1077 9.185,1078 11.198,1079 1.466,1080 18.092,1081 9.057,1082 13.374,1083 0.396,1084 16.691,1085 1.853,1086 10.469,1087 12.833,1088 3.053,1089 20.646,1090 10.329,1091 3.389,1092 0.318,1093 18.567,1094 0.603,1095 11.527,1096 14.158,1097 1.768,1098 23.036,1099 11.378,1100 3.086,1101 12.462,1102 20.454,1103 0.411,1104 12.742,1105 15.708,1106 3.446,1107 25.544,1108 12.584,1109 2.9,1110 10.661,1111 22.35,1112 4.583,1113 13.875,1114 17.122,1115 2.076,1116 27.996,1117 13.71,1118 2.424,1119 10.098,1120 24.253,1121 4.134,1122 15.069,1123 18.639,1124 3.874,1125 30.495,1126 14.897,1127 2.338,1128 8.052,1129 26.163,1130 3.837,1131 16.235,1132 20.097,1133 2.394,1134 32.975,1135 16.057,1136 2.061,1137 7.561,1138 28.079,1139 3.146,1140 17.427,1141 21.602,1142 4.321,1143 35.475,1144 17.243,1145 1.925,1146 6.118,1147 29.998,1148 2.97,1149 18.61,1150 23.083,1151 2.721,1152 37.971,1153 18.421,1154 10642,1155 17257,1156 23.581,1157 37.205,1158 52.613,1159 54.909,1160 56.153,1161 52.274,1162 52.539,1163 68.102,1164 10.381,1165 160.311,1166 50.703,1167 5.718,1168 5.812,1169 6.815,1170 5.428,1171 5.389,1172 7.583,1173 2.555,1174 20.173,1175 5.365,1176 14.504,1177 1.503,1178 1.569,1179 1.604,1180 1.494,1181 1.501,1182 1.946,1183 0.297,1184 4.58,1185 1.449,1186 4.147,1187 4.17,1188 4.112,1189 4.083,1190 7.427,1191 4.087,1192 3.938,1193 3.951,1194 3.902,1195 3.854,1196 5.016,1197 3.862,1198 3.802,1199 3.829,1200 3.736,1201 3.695,1202 4.955,1203 3.7,1204 3.501,1205 3.555,1206 3.406,1207 3.37,1208 4.58,1209 3.37,1210 3.312,1211 3.361,1212 3.19,1213 3.156,1214 4.534,1215 3.157,1216 3.303,1217 3.355,1218 3.144,1219 3.006,1220 4.456,1221 3.026,1222 3.211,1223 3.287,1224 3.016,1225 2.969,1226 4.199,1227 2.972,1228 3.116,1229 3.184,1230 2.984,1231 2.903,1232 4.126,1233 2.905,1234 0.136,1235 0.109,1236 0.204,1237 0.125,1238 0.097,1239 4.743,1240 0.131,1241 3.812,1242 0.036,1243 7.131,1244 0.356,1245 4.382,1246 0.096,1247 3.389,1248 4.583,1249 1.277,1250 12.462,1251 3.365,1252 2.099,1253 2.079,1254 2.166,1255 2.178,1256 1.43,1257 2.176,1258 1.899,1259 1.886,1260 1.987,1261 2.007,1262 1.179,1263 1.998,1264 1.777,1265 1.75,1266 1.924,1267 1.916,1268 1.131,1269 1.919,1270 1.476,1271 1.429,1272 1.654,1273 1.653,1274 0.775,1275 1.656,1276 1.285,1277 1.238,1278 1.59,1279 1.558,1280 0.613,1281 1.565,1282 1.227,1283 1.163,1284 1.573,1285 1.516,1286 0.584,1287 1.535,1288 1.17,1289 1.087,1290 1.553,1291 1.477,1292 0.574,1293 1.503,1294 1.116,1295 1.049,1296 1.392,1297 1.319,1298 0.569,1299 1.35,1300 4.263,1302 5.617,1304 7.203,1306 8.899,1308 10.653,1310 4.778,1315 2.278,1317 3.617,1318 16.593,1320 -0.293,1326 35.697,1327 81.839,1328 200.549,1329 250.426,1330 270.691,1331 273.445,1332 281.71,1333 51.587,1334 8.569,1335 69.68,1336 69.68,1337 30,1338 13.072,1339 4.322,1340 3.524,1341 43.235,1342 108,1343 110,1344 0.2,1345 213.912,1346 377.32,1347 513.704,1348 63639,1350 21.535,1351 0.695,1352 0.575,1353 21.535,1354 17.82,1355 15.156,1356 0.433,1357 0.296,1358 10.194,1359 14.505,1360 9.886,1361 8.184,1362 15.156,1363 10.367,1364 13.312,1365 0.261,1366 0.152,1367 13.312,1368 7.763,1369 12.375,1370 0.163,1371 0.081,1372 12.375,1373 6.152,1374 11.262,1375 0.102,1376 0.044,1377 11.262,1378 4.802,1379 9.9,1380 0.064,1381 0.024,1382 9.9,1383 3.704,1384 0.3,1385 95.72,1386 0.206,1387 28.063,1388 0.592,1389 172,1390 500.92,1391 186.514,1392 473.079,1393 657.74,1394 448,1395 213,1396 485.709,1397 228.846,1398 495.09,1399 734.5,1400 464,1401 4.533}
{0 CHEMBL1361072,1 2.163,2 10.4,3 2.817,4 7.935,5 93.82,6 12.166,7 0.231,8 3.749,9 3.794,10 3.838,11 3.376,12 4.944,13 3.341,14 4.338,15 4.438,16 4.216,17 3.766,18 5.786,19 3.731,20 4.61,21 4.729,22 4.551,23 3.901,24 6.099,25 3.849,26 4.549,27 4.69,28 4.373,29 3.747,30 6.025,31 3.694,32 4.48,33 4.642,34 4.188,35 3.557,36 6.02,37 3.525,38 4.321,39 4.472,40 3.856,41 3.364,42 5.961,43 3.348,44 4.073,45 4.178,46 3.748,47 3.275,48 5.654,49 3.255,50 3.923,51 4.005,52 3.889,53 3.291,54 5.501,55 3.274,56 0.292,57 0.51,58 1.375,59 3.605,60 47.482,61 2.933,62 0.816,63 0.811,64 14.322,65 6.9,66 113.547,67 5.9,68 1.296,69 0.912,70 28.189,71 8.868,72 177.079,73 7.251,74 1.332,75 0.807,76 24.716,77 8.581,78 178.869,79 7.521,80 1.306,81 0.764,82 31.769,83 9.083,84 176.269,85 8.1,86 1.204,87 0.619,88 24.61,89 7.387,90 187.13,91 6.19,92 0.929,93 0.483,94 14.983,95 5.041,96 122.326,97 3.791,98 0.607,99 0.469,100 7.962,101 4.001,102 89.768,103 2.725,104 82,105 39,106 0.394,107 0.645,108 0.833,109 0.876,110 0.876,111 0.876,112 3.266,113 1.177,114 -3.16,115 -3.15,116 -3.03,120 35.1,122 1,125 1,126 3,128 1,145 3,147 1,148 1,159 2,176 3,177 2,188 4,189 4,197 3,200 2,201 4,209 2,213 2,214 5,222 1,226 4,227 2,239 2,240 3,252 5,263 2,264 2,271 1,274 849,275 15.483,276 15.483,277 15.483,278 15.483,279 15.483,280 13.96,281 15.218,282 8.515,283 16.398,284 12.656,285 12.656,286 12.656,287 12.656,288 12.656,289 10.197,290 14.289,291 3.953,292 14.414,293 3.047,294 1.67,295 0.635,296 0.399,297 0.399,298 0.399,299 3.912,303 3,304 1,306 1,307 1,308 530,309 4.123,312 82.875,313 96.769,320 1.504,321 55.705,324 1,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.85,332 57.333,333 260,334 4.711,335 5.139,336 6.794,337 4.156,338 3.281,339 4.486,340 2.95,341 11.204,342 2.881,343 4.553,344 3.809,345 6.729,346 4.074,347 3.184,348 4.282,349 2.082,350 10.71,351 2.812,352 4.004,353 3.71,354 6.249,355 3.742,356 2.806,357 3.288,358 1.631,359 9.102,360 2.574,361 3.887,362 3.482,363 6.035,364 3.469,365 2.566,366 3.133,367 0.616,368 8.27,369 2.188,370 3.452,371 2.906,372 5.355,373 2.954,374 2.116,375 2.744,376 0.106,377 6.234,378 1.896,379 3.157,380 2.645,381 4.997,382 2.879,383 1.928,384 2.197,386 5.565,387 1.563,388 2.925,389 2.393,390 4.52,391 2.411,392 1.53,393 1.984,395 4.201,396 1.279,397 2.039,398 2.29,399 3.728,400 1.885,401 0.936,402 0.988,404 2.26,405 0.873,406 1.741,407 1.725,408 3.634,409 1.549,410 0.649,411 0.667,413 1.669,414 0.563,415 1.602,416 1.708,417 3.265,418 1.244,419 0.422,420 0.474,422 1.021,423 0.288,424 1.541,425 1.297,426 3.071,427 0.991,428 0.294,429 0.321,431 0.658,432 0.14,433 1.445,434 1.241,435 2.704,436 0.867,437 0.109,438 0.142,440 0.236,441 0.088,442 1,443 0.371,444 2.486,445 0.234,446 -0.681,447 -0.823,449 -2.024,450 -0.495,451 0.646,452 0.05,453 2.14,454 0.055,455 -0.802,456 -0.962,458 -2.093,459 -0.606,460 0.518,461 -0.116,462 2,464 -1,465 -1.274,467 -2.43,468 -0.651,469 12.657,470 0.506,471 1.055,472 0.042,473 28.75,474 1.15,475 12,476 0.48,477 16.75,478 0.67,479 24.753,480 0.99,481 28.743,482 0.777,483 22.541,484 0.902,485 5.366,486 0.215,487 6.166,488 0.247,489 0.371,490 0.066,491 0.348,496 0.634,497 1.563,498 0.579,499 1.054,500 0.618,501 0.847,502 0.751,503 1.217,504 0.748,505 0.913,506 0.588,507 0.774,508 0.947,509 1.029,510 0.689,511 0.81,512 1.078,513 0.895,514 0.993,515 0.929,516 0.563,517 0.707,518 1.181,519 0.869,520 0.831,521 0.953,522 0.58,523 0.935,524 0.835,525 0.832,526 1.094,527 0.78,528 0.739,529 0.824,530 1.114,531 0.833,532 1.28,533 0.903,534 0.972,535 0.783,536 1.424,537 0.929,538 1.015,539 1.094,540 0.932,541 1,542 1.224,543 0.963,544 7.5,545 0.193,546 4.667,547 2.757,548 1.881,549 0.868,550 0.442,551 0.372,552 0.344,553 0.236,554 6557,555 35146,556 1.854,557 32.4,559 10,565 2,567 1.678,568 1.639,569 3.352,570 -0.514,572 1,575 80.015,576 2.163,577 3.54,578 4.574,579 4.811,580 4.811,581 4.811,582 2.725,583 4.404,584 4.621,585 3.518,586 1055.42,587 7.974,588 13053.8,590 1,593 192.75,594 1.741,595 4.493,596 0.288,597 0.011,598 0.12,599 0.069,600 0.057,601 0.03,602 0.018,603 0.017,604 0.015,605 0.011,606 0.636,607 0.33,608 1,609 0.716,610 121.481,611 -0.017,612 -0.286,613 0.035,614 -0.12,615 -0.05,616 -0.035,617 0.037,618 -0.045,619 -0.016,620 0.042,621 0.147,622 0.124,623 -0.006,624 -0.008,625 0.159,626 0.097,627 -0.095,628 0.039,629 0.007,630 -0.014,631 0.255,632 0.173,633 -0.129,634 0.133,635 0.195,636 -0.032,637 0.277,638 0.067,639 0.15,640 0.256,641 0.022,642 0.11,643 0.077,644 0.128,645 0.068,646 0.203,647 -0.174,648 0.013,649 -0.144,650 0.079,651 -0.238,652 -0.022,653 -0.109,654 0.002,655 -0.09,656 -0.128,657 -0.189,658 -0.132,659 4.055,660 5.077,661 0.44,662 19.162,663 1.065,664 1.126,665 1.93,666 3.726,667 0.748,668 3.296,669 3.689,670 3.892,671 4.025,672 4.127,673 4.06,674 3.892,675 3.714,676 3.784,677 3.871,678 6.318,679 0.724,680 450.14,681 3.296,682 4.875,683 5.72,684 6.613,685 7.476,686 8.366,687 9.234,688 10.122,689 10.993,690 11.879,691 5.4,698 1,701 1,710 1,714 5,716 6,726 1,737 4,738 37,739 10,741 26,743 38,744 13,745 5,748 1,752 2,753 2,754 4,763 2,766 2,768 7,769 6,772 4,776 1,778 4,782 2,786 1,789 12,790 7,792 12,793 5,797 2,803 1,804 5,816 1,822 1,823 1,839 1,855 2,857 1,859 1,860 4,862 25,865 1,869 4,872 1,874 1,875 1,881 1,885 4,886 13.5,889 4,891 1,893 15.25,894 7.055,895 5.361,896 2.011,898 1.317,899 1.202,900 0.928,901 6.708,902 7.842,903 3.526,904 4.151,905 4.508,906 4.884,907 5.29,908 5.366,909 5.255,910 4.911,911 5.004,912 5.241,913 0.857,914 40,915 9.474,917 4.395,918 8.494,919 16.609,921 13.727,924 2.994,925 74.861,929 141.253,930 51.595,931 19.91,932 156.595,933 105.603,935 6.046,936 45.549,937 403.45,938 19.91,939 8.396,940 12.051,941 6.046,942 123.284,943 24.258,944 42.22,945 141.253,946 117.446,947 141.253,948 65.459,949 105.603,950 162.641,952 117.711,953 129.145,956 14.807,957 33.866,958 140.277,959 39.149,960 141.253,961 125.513,962 208.19,964 6.046,965 141.253,966 37.153,967 11.521,969 278.983,970 141.253,971 125.513,972 208.19,973 0.613,974 0.358,975 0.162,976 0.084,977 18,978 11,979 0.132,980 5,982 1,983 3.475,984 196.047,986 11,987 114.096,992 1,993 20.84,994 8.047,995 4.829,997 125.513,999 3.691,1003 -1.121,1006 474.955,1007 33,1011 -3.138,1013 47.045,1017 -1.566,1020 39.397,1021 41.646,1022 0.415,1023 0.68,1024 0.878,1025 0.923,1026 0.923,1027 0.923,1028 4.824,1029 0.936,1030 5.802,1031 4.201,1032 4.369,1033 4.836,1034 3.462,1035 6.683,1036 4.116,1037 6.096,1038 0.649,1039 7.438,1040 2.26,1041 4.369,1042 5.173,1043 1.668,1044 7.906,1045 3.952,1046 7.478,1047 0.422,1048 9.174,1049 1.669,1050 6.111,1051 7.151,1052 5.265,1053 10.895,1054 5.634,1055 8.894,1056 0.294,1057 10.961,1058 1.021,1059 6.825,1060 8.204,1061 3.285,1062 12.812,1063 6.172,1064 10.337,1065 0.109,1066 12.779,1067 0.658,1068 8.159,1069 9.822,1070 7.288,1071 15.409,1072 7.439,1073 11.798,1074 -0.681,1075 14.616,1076 0.236,1077 9.14,1078 11.131,1079 4.852,1080 17.591,1081 8.257,1082 13.273,1083 -0.802,1084 16.466,1085 -2.024,1086 10.351,1087 12.654,1088 9.393,1089 20.059,1090 9.379,1091 3.281,1092 -1,1093 18.326,1094 -2.093,1095 11.439,1096 14.062,1097 6.388,1098 22.356,1099 10.317,1100 3.184,1101 11.204,1102 20.193,1103 -2.43,1104 12.613,1105 15.558,1106 11.532,1107 24.777,1108 11.385,1109 2.806,1110 10.71,1111 22.067,1112 4.486,1113 13.745,1114 17.007,1115 7.904,1116 27.125,1117 12.377,1118 2.566,1119 9.102,1120 23.945,1121 4.282,1122 14.91,1123 18.495,1124 13.684,1125 29.529,1126 13.425,1127 2.116,1128 8.27,1129 25.826,1130 3.288,1131 16.061,1132 19.963,1133 9.408,1134 31.903,1135 14.441,1136 1.928,1137 6.234,1138 27.712,1139 3.133,1140 17.227,1141 21.449,1142 15.843,1143 34.302,1144 15.483,1145 1.53,1146 5.565,1147 29.6,1148 2.744,1149 18.388,1150 22.926,1151 10.903,1152 36.689,1153 16.511,1154 6715,1155 15758,1156 15.433,1157 27.693,1158 39.654,1159 45.729,1160 42.755,1161 39.674,1162 39.641,1163 49.41,1164 14.771,1165 122.259,1166 34.288,1167 5.689,1168 7.139,1169 6.108,1170 5.261,1171 5.281,1172 7.486,1173 5.9,1174 18.771,1175 4.827,1176 18.857,1177 1.525,1178 1.759,1179 1.644,1180 1.526,1181 1.525,1182 1.9,1183 0.568,1184 4.702,1185 1.319,1186 4.093,1187 4.073,1188 4.744,1189 4.091,1190 7.713,1191 3.965,1192 3.91,1193 3.91,1194 4.245,1195 3.836,1196 7.436,1197 3.834,1198 3.644,1199 3.661,1200 3.709,1201 3.415,1202 7.424,1203 3.434,1204 3.337,1205 3.344,1206 3.643,1207 3.12,1208 6.999,1209 3.134,1210 3.113,1211 3.116,1212 3.511,1213 2.96,1214 5.184,1215 2.934,1216 3.018,1217 3.078,1218 3.287,1219 2.822,1220 4.729,1221 2.789,1222 2.86,1223 2.92,1224 3.241,1225 2.752,1226 4.577,1227 2.739,1228 2.814,1229 2.844,1230 3.072,1231 2.609,1232 4.381,1233 2.572,1234 0.181,1235 0.198,1236 0.261,1237 0.16,1238 0.126,1239 4.711,1240 0.173,1241 5.139,1242 0.113,1243 6.794,1244 0.431,1245 4.156,1246 0.111,1247 3.281,1248 4.486,1249 2.95,1250 11.204,1251 2.881,1252 1.804,1253 1.807,1254 1.886,1255 1.937,1256 1.241,1257 1.937,1258 1.755,1259 1.801,1260 1.729,1261 1.878,1262 1.223,1263 1.899,1264 1.672,1265 1.62,1266 1.661,1267 1.819,1268 0.911,1269 1.863,1270 1.373,1271 1.342,1272 1.549,1273 1.608,1274 0.769,1275 1.608,1276 1.138,1277 1.092,1278 1.476,1279 1.418,1280 0.589,1281 1.446,1282 0.973,1283 0.934,1284 0.959,1285 1.197,1286 0.077,1287 1.15,1288 0.688,1289 0.7,1290 0.861,1291 0.783,1292 0.031,1293 0.801,1294 0.416,1295 0.374,1296 0.638,1297 0.772,1299 0.784,1300 3.97,1302 5.342,1303 2.398,1304 6.884,1305 4.727,1306 8.501,1307 6.804,1308 10.16,1310 1.447,1311 23.195,1315 -0.356,1318 4.866,1320 -0.447,1321 1.245,1326 26.802,1327 80.015,1328 130.975,1329 169.24,1330 177.995,1331 177.995,1332 177.995,1333 97.756,1334 6.525,1335 93.64,1336 102.02,1337 11,1338 12.414,1339 3.459,1340 3,1341 51.901,1342 97,1343 77,1344 0.267,1345 184.079,1346 329.94,1347 440.914,1348 5072,1349 10.8,1350 18.939,1351 0.758,1352 0.664,1353 21.189,1354 16.602,1355 11.531,1356 0.444,1357 0.392,1358 7.009,1359 9.166,1360 6.553,1361 5.31,1362 13.54,1363 10.197,1364 11.512,1365 0.295,1366 0.232,1367 14.192,1368 9.051,1369 9.332,1370 0.194,1371 0.148,1372 12.33,1373 7.082,1374 6.402,1375 0.116,1376 0.087,1377 8.516,1378 4.784,1379 4.678,1380 0.077,1381 0.045,1382 6.346,1383 2.723,1384 0.422,1385 94.519,1386 0.255,1387 24.333,1388 0.719,1389 130,1390 561.642,1391 242.237,1392 661.012,1393 815.29,1394 600,1395 152,1396 447.194,1397 273.467,1398 514.705,1399 753.07,1400 476,1401 4.881}
{0 CHEMBL1361694,1 1.902,2 9.846,3 3.862,4 14.913,5 102.188,6 9.485,7 0.429,8 3.904,9 3.977,10 3.814,11 3.491,12 4.996,13 3.453,14 4.476,15 4.615,16 4.182,17 3.887,18 5.762,19 3.844,20 4.669,21 4.785,22 4.443,23 4.127,24 5.897,25 4.051,26 4.867,27 5.007,28 4.315,29 4.157,30 6.13,31 4.064,32 4.937,33 5.127,34 4.235,35 4.081,36 6.143,37 3.983,38 4.792,39 4.998,40 4.083,41 3.955,42 5.932,43 3.85,44 4.716,45 4.95,46 3.922,47 3.853,48 5.785,49 3.71,50 4.495,51 4.724,52 3.765,53 3.661,54 5.641,55 3.486,56 0.149,57 0.623,58 8.115,59 4.466,60 16.709,61 4.653,62 0.631,63 0.993,64 17.97,65 7.437,66 60.568,67 7.962,68 0.61,69 1.241,70 30.321,71 10.478,72 49.207,73 10.588,74 0.832,75 1.408,76 34.793,77 12.546,78 99.931,79 12.462,80 1.139,81 1.377,82 39.543,83 12.865,84 123.936,85 13.892,86 0.885,87 1.227,88 31.583,89 11.025,90 83.951,91 12.862,92 0.887,93 1.092,94 33.905,95 10.361,96 82.064,97 12.583,98 0.729,99 0.816,100 37.903,101 9.564,102 65.416,103 11.292,104 54,105 42,106 0.33,107 0.64,108 0.795,109 0.813,110 0.829,111 0.837,112 3.305,113 1.078,114 -3.09,115 -3.09,116 -2.97,120 38.6,121 1,122 1,125 2,126 1,128 1,143 3,144 2,145 4,146 1,148 1,174 4,176 3,177 6,185 6,188 1,189 11,197 6,200 3,201 10,209 2,213 1,214 9,222 3,226 1,227 9,235 2,239 2,240 2,247 4,251 2,252 2,260 5,263 1,264 1,271 3,274 932,275 17.013,276 17.013,277 17.013,278 17.013,279 17.013,280 15.244,281 21.577,282 9.437,283 17.873,284 13.591,285 13.591,286 13.591,287 13.591,288 13.591,289 10.677,290 26.885,291 4.218,292 14.942,293 3.558,294 1.774,295 0.887,296 0.779,297 0.688,298 0.642,299 3.976,303 1,304 1,306 1,307 1,308 536,309 3.536,313 218.827,317 114.816,320 1.55,321 40.406,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57.667,333 256,334 4.956,335 4.733,336 7.731,337 4.494,338 3.566,339 4.773,340 0.86,341 13.946,342 3.301,343 4.433,344 3.423,345 6.606,346 4.051,347 3.084,348 4.101,349 0.86,350 10.446,351 2.97,352 4.12,353 3.276,354 6.098,355 3.628,356 2.746,357 3.728,358 0.657,359 8.709,360 2.456,361 3.864,362 3.059,363 5.918,364 3.494,365 2.585,366 3.203,368 8.094,369 2.246,370 3.285,371 2.428,372 5.603,373 2.994,374 2.04,375 2.479,377 6.701,378 1.931,379 3.129,380 2.228,381 4.978,382 2.752,383 1.809,384 2.333,386 5.372,387 1.658,388 2.84,389 2.145,390 4.506,391 2.393,392 1.468,393 1.95,395 4.161,396 1.337,397 2.816,398 1.956,399 4.147,400 2.263,401 1.414,402 1.87,404 3.523,405 1.224,406 2.449,407 1.486,408 4.032,409 2.249,410 1.315,411 1.44,413 3.386,414 1.131,415 1.787,416 1.036,417 3.325,418 1.535,419 0.624,420 0.707,422 1.251,423 0.563,424 1.499,425 0.907,426 3.13,427 1.246,428 0.388,429 0.419,431 0.565,432 0.328,433 1.369,434 0.748,435 2.808,436 0.949,437 0.107,438 0.127,440 0.232,441 0.065,442 1.119,443 0.272,444 2.67,445 0.782,446 -0.038,447 -0.043,449 -0.087,450 -0.035,451 1,452 0.154,453 2.404,454 0.569,455 -0.365,456 -0.414,458 -0.717,459 -0.335,460 0.846,461 -0.017,462 2.397,463 0.211,464 -0.647,465 -0.84,467 -1.711,468 -0.435,469 12.895,470 0.496,471 0.883,472 0.034,473 33,474 1.269,475 16,476 0.615,477 17,478 0.654,479 24.249,480 0.933,481 29.105,482 0.661,483 25.847,484 0.994,485 6.314,486 0.243,487 5.976,488 0.23,489 0.279,490 0.065,491 0.341,496 0.622,497 1.494,498 0.62,499 1.2,500 0.65,501 0.94,502 0.908,503 0.877,504 0.615,505 0.63,506 0.613,507 0.635,508 0.828,509 1.242,510 0.95,511 1.199,512 0.779,513 0.976,514 1.156,515 1.213,516 0.97,517 1.2,518 1.536,519 1.187,520 1.1,521 0.974,522 0.691,523 0.879,524 1.307,525 1.005,526 0.793,527 1.028,528 0.661,529 0.925,530 0.719,531 1.015,532 0.812,533 0.836,534 0.814,535 0.766,536 0.716,537 0.915,538 0.803,539 0.875,540 1.374,541 1.091,542 0.635,543 1.009,544 7,545 0.116,546 4.889,547 2.813,548 2.462,549 1.368,550 0.731,551 0.559,552 0.267,553 0.158,554 6768,555 25866,556 1.961,557 40.9,559 12,561 1,564 5,567 1.694,568 1.763,569 3.271,570 -0.646,572 1,575 83.669,576 1.902,577 3.685,578 4.573,579 4.681,580 4.772,581 4.817,582 2.763,583 4.21,584 4.67,585 3.38,586 1098.59,587 8.113,588 13062.3,590 1,592 1,593 240.215,594 1.75,595 4.579,596 0.25,597 0.01,598 0.116,599 0.057,600 0.056,601 0.036,602 0.022,603 0.021,604 0.012,605 0.009,606 0.59,607 0.33,608 1,609 0.975,610 124.757,611 0.039,612 -0.289,613 0.11,614 -0.161,615 -0.119,616 -0.031,617 0.036,618 0.233,619 0.133,620 0.292,621 0.195,622 0.261,623 0.021,624 -0.094,625 0.017,626 -0.08,627 0.067,628 -0.027,629 -0.155,630 -0.152,631 -0.153,632 -0.186,633 -0.169,634 -0.261,635 -0.052,636 -0.045,637 0.058,638 0.016,639 -0.087,640 -0.048,641 0.082,642 -0.081,643 0.095,644 -0.042,645 0.08,646 -0.033,647 0.055,648 0.082,649 0.08,650 0.125,651 0.038,652 0.1,653 0.098,654 0.007,655 -0.073,656 -0.028,657 0.142,658 0.078,659 4.689,660 6.077,661 0.615,662 21.503,663 1.027,664 1.122,665 1.864,666 3.473,667 0.706,668 3.367,669 3.761,670 4.078,671 4.304,672 4.564,673 4.682,674 4.771,675 4.836,676 4.934,677 4.86,678 5.684,679 0.67,680 417.34,681 3.367,682 4.949,683 5.832,684 6.744,685 7.647,686 8.564,687 9.473,688 10.392,689 11.304,690 12.225,691 4.5,694 1,701 1,709 4,710 1,714 7,716 12,735 2,737 2,738 44,739 14,740 1,741 28,743 46,744 17,745 11,746 4,747 2,752 3,753 4,754 2,759 1,763 2,766 2,768 11,769 6,772 2,776 1,778 2,786 1,789 18,790 6,792 9,793 3,797 2,803 0.667,804 4,816 1,823 3,827 1,855 2,857 1,859 3,860 2,862 26,866 1,869 2,872 2,874 1,875 1,885 2,886 9.1,889 2,891 2,893 14.75,894 8.936,895 5.722,896 2.464,898 2.191,899 1.303,900 0.96,901 5.585,902 9.427,903 3.611,904 4.277,905 4.824,906 5.31,907 5.843,908 6.081,909 6.276,910 6.371,911 6.695,912 6.858,913 0.857,914 49,915 9.891,917 4.522,918 8.005,919 18.011,921 14.947,924 2.505,925 65.139,928 1,929 211.88,930 103.496,931 18.304,932 78.297,933 66.313,935 5.807,936 97.689,937 356.49,938 18.304,939 30.591,940 4.64,941 34.236,942 72.87,943 54.475,944 42.22,945 200.109,946 39.149,947 211.88,948 115.993,949 66.313,950 84.105,952 153.024,953 125.168,956 24.031,957 75.176,958 61.742,959 39.149,960 211.88,961 84.617,962 181.794,964 5.807,965 211.88,966 29.621,967 69.586,969 161.396,970 211.88,971 84.617,972 181.794,973 0.6,974 0.377,975 0.19,976 0.103,977 21,978 11,979 0.087,980 4,981 1,982 1.125,983 3.502,984 227.687,985 0.125,986 16,987 120.211,992 1,993 19.551,994 7.428,995 3.51,997 84.617,998 6.27,999 3.85,1003 3.294,1006 478.29,1007 36,1011 -3.773,1013 26.154,1020 45.189,1021 49.379,1022 0.348,1023 0.675,1024 0.838,1025 0.857,1026 0.874,1027 0.882,1028 4.898,1029 1.414,1030 5.894,1031 4.161,1032 4.443,1033 4.963,1034 1.573,1035 6.825,1036 4.276,1037 6.166,1038 1.315,1039 7.551,1040 3.523,1041 4.369,1042 5.19,1044 8.157,1045 4.098,1046 7.551,1047 0.624,1048 9.32,1049 3.386,1050 6.209,1051 7.323,1052 1.27,1053 11.256,1054 5.909,1055 8.977,1056 0.388,1057 11.156,1058 1.251,1059 6.919,1060 8.322,1062 13.399,1063 6.516,1064 10.438,1065 0.107,1066 13.037,1067 0.565,1068 8.324,1069 10.042,1070 1.022,1071 16.137,1072 7.891,1073 11.923,1074 -0.038,1075 14.948,1076 0.232,1077 9.351,1078 11.348,1080 18.585,1081 8.825,1082 13.427,1083 -0.365,1084 16.884,1085 -0.087,1086 10.627,1087 12.941,1088 0.818,1089 21.235,1090 10.056,1091 3.566,1092 -0.647,1093 18.84,1094 -0.717,1095 11.782,1096 14.375,1098 23.796,1099 11.127,1100 3.084,1101 13.946,1102 20.811,1103 -1.711,1104 13.026,1105 15.928,1106 0.65,1107 26.427,1108 12.312,1109 2.746,1110 10.446,1111 22.794,1112 4.773,1113 14.234,1114 17.42,1116 29.031,1117 13.442,1118 2.585,1119 8.709,1120 24.789,1121 4.101,1122 15.475,1123 18.964,1124 0.511,1125 31.66,1126 14.615,1127 2.04,1128 8.094,1129 26.792,1130 3.728,1131 16.709,1132 20.485,1134 34.282,1135 15.77,1136 1.809,1137 6.701,1138 28.803,1139 3.203,1140 17.955,1141 22.029,1142 0.399,1143 36.912,1144 16.943,1145 1.468,1146 5.372,1147 30.82,1148 2.479,1149 19.202,1150 23.566,1152 39.541,1153 18.111,1154 6788,1155 13477,1156 17.512,1157 31.046,1158 42.236,1159 44.849,1160 46.144,1161 42.41,1162 42.289,1163 54.262,1164 4.755,1165 132.771,1166 38.419,1167 5.902,1168 6.733,1169 7.273,1170 5.566,1171 5.566,1172 7.773,1173 1.72,1174 22.366,1175 5.301,1176 16.788,1177 1.508,1178 1.602,1179 1.648,1180 1.515,1181 1.51,1182 1.938,1183 0.17,1184 4.742,1185 1.372,1186 4.122,1187 4.116,1188 4.746,1189 4.084,1190 7.715,1191 4.015,1192 3.935,1193 3.936,1194 4.047,1195 3.88,1196 6.999,1197 3.86,1198 3.648,1199 3.658,1200 3.931,1201 3.538,1202 5.106,1203 3.501,1204 3.411,1205 3.405,1206 3.395,1207 3.257,1208 4.921,1209 3.233,1210 3.298,1211 3.374,1212 3.384,1213 3.14,1214 4.519,1215 3.119,1216 3.224,1217 3.302,1218 3.114,1219 2.929,1220 4.496,1221 2.932,1222 3.105,1223 3.186,1224 3.066,1225 2.872,1226 4.39,1227 2.858,1228 2.797,1229 2.852,1230 2.996,1231 2.654,1232 4.26,1233 2.637,1234 0.177,1235 0.169,1236 0.276,1237 0.16,1238 0.127,1239 4.956,1240 0.17,1241 4.733,1242 0.031,1243 7.731,1244 0.498,1245 4.494,1246 0.118,1247 3.566,1248 4.773,1249 0.86,1250 13.946,1251 3.301,1252 2.007,1253 2,1254 2.08,1255 2.109,1256 1.391,1257 2.126,1258 1.867,1259 1.872,1260 1.818,1261 1.948,1262 1.065,1263 1.965,1264 1.533,1265 1.514,1266 1.708,1267 1.737,1268 0.882,1269 1.732,1270 1.32,1271 1.278,1272 1.646,1273 1.54,1274 0.832,1275 1.575,1276 1.259,1277 1.244,1278 1.574,1279 1.505,1280 0.574,1281 1.534,1282 1.183,1283 1.101,1284 1.495,1285 1.462,1286 0.561,1287 1.495,1288 1.094,1289 1.012,1290 1.119,1291 1.319,1292 0.408,1293 1.367,1294 0.785,1295 0.713,1296 0.969,1297 0.981,1298 0.182,1299 1.021,1300 4.043,1302 5.416,1304 7.004,1306 8.686,1308 10.416,1310 4.963,1311 11.738,1315 0.903,1318 10.683,1320 -0.377,1321 1.433,1326 29.485,1327 83.669,1328 162.157,1329 201.195,1330 205.95,1331 209.95,1332 211.95,1333 64.798,1334 7.236,1335 68.73,1336 77.11,1337 18,1338 12.735,1339 3.907,1340 3.17,1341 44.204,1342 88,1343 88,1344 0.254,1345 191.466,1346 334.03,1347 458.937,1348 11726,1349 4.5,1350 19.06,1351 0.733,1352 0.647,1353 20.31,1354 16.821,1355 12.289,1356 0.439,1357 0.359,1358 7.903,1359 10.394,1360 7.441,1361 6.149,1362 13.655,1363 10.065,1364 11.561,1365 0.275,1366 0.204,1367 13.603,1368 8.547,1369 10.266,1370 0.177,1371 0.123,1372 12.519,1373 7.128,1374 7.997,1375 0.11,1376 0.069,1377 9.656,1378 5.05,1379 6.409,1380 0.067,1381 0.039,1382 8.078,1383 3.73,1384 0.387,1385 92.173,1386 0.239,1387 24.532,1388 0.733,1389 140,1390 489.5,1391 226.109,1392 538.809,1393 704.59,1394 496,1395 170,1396 434.667,1397 262.266,1398 496.561,1399 730.82,1400 461,1401 4.533}
{0 CHEMBL1361740,1 1.982,2 9.478,3 2.574,4 6.624,5 91.902,6 9.763,7 0.6,8 3.74,9 3.851,10 3.623,11 3.287,12 4.988,13 3.248,14 4.228,15 4.397,16 4.118,17 3.643,18 5.53,19 3.6,20 4.258,21 4.429,22 4.023,23 3.658,24 5.461,25 3.594,26 4.359,27 4.539,28 3.908,29 3.634,30 5.629,31 3.589,32 4.271,33 4.443,34 3.944,35 3.641,36 5.414,37 3.567,38 4.389,39 4.635,40 3.638,41 3.611,42 5.387,43 3.474,44 4.268,45 4.514,46 3.504,47 3.426,48 5.382,49 3.258,50 4.04,51 4.282,52 3.448,53 3.209,54 5.281,55 3.083,56 0.204,57 0.661,58 4.718,59 3.168,60 4.671,61 3.269,62 0.423,63 1.018,64 17.43,65 5.26,66 44.717,67 5.404,68 0.387,69 1.004,70 15.252,71 5.659,72 18.553,73 5.497,74 0.542,75 1.051,76 17.974,77 5.502,78 44.355,79 5.62,80 0.331,81 1.018,82 12.544,83 5.36,84 16.389,85 5.781,86 0.512,87 0.99,88 22.496,89 6.632,90 33.629,91 7.391,92 0.506,93 0.807,94 19.249,95 6.441,96 36.363,97 7.911,98 0.419,99 0.636,100 24.773,101 6.252,102 37.771,103 6.62,104 30,105 36,106 0.356,107 0.708,108 0.837,109 0.837,110 0.837,111 0.837,112 3.188,113 1.002,114 -3.78,115 -3.75,116 -3.56,120 33.3,121 2,125 1,126 1,143 1,146 1,147 1,153 1,154 1,162 1,163 2,167 4,176 3,177 9,185 2,188 3,189 7,200 7,201 4,209 1,213 2,214 8,222 2,226 2,227 3,239 6,240 2,247 3,251 3,252 1,263 1,264 3,271 2,274 684,275 15.248,276 15.248,277 15.248,278 15.248,279 15.248,280 13.092,281 17.161,282 8.713,283 16.073,284 12.244,285 12.244,286 12.244,287 12.244,288 12.244,289 8.961,290 15.147,291 4.03,292 13.645,293 3.188,294 1.224,295 0.507,296 0.507,297 0.507,298 0.507,299 3.86,305 1,306 1,307 1,308 460,309 3,312 197.567,320 1.588,321 24.537,323 1,324 1,325 0.83,326 1,327 0.6,329 0.83,330 1,331 0.75,332 51.5,333 218,334 4.566,335 4.575,336 6.774,337 4.137,338 3.207,339 4.294,340 2.95,341 11.076,342 2.997,343 4.31,344 3.78,345 6.118,346 3.744,347 2.877,348 4.018,349 2.612,350 8.923,351 2.515,352 4.134,353 3.31,354 5.985,355 3.641,356 2.73,357 3.76,359 8.465,360 2.473,361 3.682,362 3.051,363 5.337,364 3.095,365 2.232,366 3.122,368 6.664,369 1.91,370 3.305,371 2.451,372 5.021,373 2.88,374 1.946,375 2.557,377 5.672,378 1.79,379 3.04,380 2.103,381 4.739,382 2.651,383 1.726,384 2.187,386 4.943,387 1.585,388 2.713,389 1.965,390 4.162,391 2.129,392 1.207,393 1.726,395 3.164,396 1.105,397 2.566,398 1.445,399 3.769,400 2.051,401 1.114,402 1.59,404 2.676,405 1.03,406 2.364,407 1.138,408 3.662,409 1.847,410 0.919,411 1.302,413 2.509,414 0.843,415 2.174,416 1,417 3.253,418 1.487,419 0.659,420 0.998,422 1.607,423 0.536,424 1.506,425 0.795,426 2.894,427 1.322,428 0.336,429 0.384,431 0.503,432 0.331,433 1.189,434 0.486,435 2.704,436 0.826,437 -0.038,438 -0.046,440 -0.1,441 -0.032,442 1,443 0.377,444 2.308,445 0.265,446 -0.639,447 -0.763,449 -1.675,450 -0.556,451 0.6,452 0.208,453 2,454 0.166,455 -0.769,456 -0.888,458 -1.79,459 -0.739,460 0.442,461 -0.384,462 2,464 -1,465 -1.258,467 -2,468 -0.981,469 11.133,470 0.484,471 0.682,472 0.03,473 31.25,474 1.359,475 15.5,476 0.674,477 15.75,478 0.685,479 18.322,480 0.797,481 24.867,482 0.691,483 20.679,484 0.899,485 5.906,486 0.257,487 5.084,488 0.221,489 0.195,491 0.377,496 0.454,497 1.257,498 0.66,499 0.874,500 0.489,501 0.893,502 0.633,503 1.23,504 0.55,505 0.815,506 0.374,507 0.644,508 0.834,509 1.058,510 0.889,511 0.982,512 0.623,513 0.853,514 0.955,515 1.018,516 1.1,517 1.06,518 0.829,519 1.045,520 0.644,521 1.375,522 0.817,523 1.147,524 0.399,525 1.189,526 0.866,527 0.781,528 1.119,529 0.918,530 0.493,531 1.027,532 0.432,533 0.86,534 0.893,535 0.987,536 0.513,537 1.166,538 0.756,539 0.867,540 1.295,541 1.224,542 0.755,543 0.758,544 5.5,545 0.123,546 2.889,547 2.236,548 1.425,549 0.733,550 0.467,551 0.25,552 0.206,553 0.125,554 5434,555 20109,556 2.016,557 36.1,559 6,561 1,563 3,564 3,567 1.656,568 1.84,569 3.221,570 -0.515,571 1,572 1,574 1,575 71.341,576 1.982,577 3.946,578 4.663,579 4.663,580 4.663,581 4.663,582 2.719,583 4.263,584 4.494,585 3.402,586 860.644,587 7.733,588 9759.5,589 1,590 1,592 1,593 186.117,594 1.538,595 4.428,596 0.22,597 0.011,598 0.08,599 0.068,600 0.045,601 0.024,602 0.02,603 0.014,604 0.011,605 0.009,606 0.502,607 0.33,608 1,609 0.982,610 107.586,611 0.233,612 -0.088,613 0.071,614 0.032,615 0.013,616 -0.045,617 0.176,618 -0.157,619 0.414,620 0.182,621 0.265,622 0.295,623 -0.038,624 0.033,625 0.108,626 0.047,627 0.004,628 0.088,629 -0.035,630 0.044,631 -0.193,632 -0.138,633 -0.028,634 -0.161,635 0.017,636 -0.313,637 0.036,638 -0.222,639 0.023,640 -0.255,641 -0.142,642 0.171,643 -0.121,644 0.039,645 -0.035,646 0.004,647 0.363,648 -0.004,649 0.095,650 -0.036,651 0.155,652 -0.074,653 0.238,654 0.014,655 0.125,656 0.056,657 0.274,658 0.429,659 2.452,660 3.719,661 0.652,662 19.009,663 1.033,664 1.139,665 2.554,666 6.525,667 0.709,668 3.258,669 3.611,670 3.892,671 4.159,672 4.234,673 4.304,674 4.369,675 4.466,676 4.489,677 4.511,678 5.773,679 0.682,680 351.46,681 3.258,682 4.812,683 5.673,684 6.567,685 7.448,686 8.344,687 9.232,688 10.128,689 11.02,690 11.917,691 19.4,699 2,701 4,702 1,709 2,710 4,713 1,714 6,715 2,716 15,731 1,738 36,739 17,741 25,743 38,744 12,745 8,752 3,753 3,759 2,768 8,769 4,772 2,775 1,778 2,785 1,786 1,789 13,790 6,792 11,793 2,797 7,803 1,804 2,814 1,822 3,855 3,856 1,857 2,859 3,862 23,869 1,873 1,879 1,883 1,886 5.6,892 2,893 12.5,894 7.733,895 5.056,896 2.142,898 2.853,899 1.414,900 0.963,901 4.572,902 9.752,903 3.57,904 4.23,905 4.805,906 5.391,907 5.651,908 6.005,909 6.324,910 6.707,911 7.007,912 7.293,913 1,914 33,915 8.422,917 3.541,918 7.986,919 15.663,921 12.398,924 2.486,925 57.167,929 153.024,930 119.637,931 76.12,933 50.747,935 63.497,936 56.14,937 203.771,938 76.12,939 31.717,940 2.106,941 9.476,942 80.874,943 17.102,944 2.757,945 204.75,946 50.747,947 153.024,948 132.26,949 50.747,950 63.497,952 117.711,953 35.313,954 50.747,956 39.187,957 20.629,958 72.445,959 63.497,960 153.024,961 126.867,962 119.637,965 153.024,966 75.067,967 53.916,969 117.521,970 153.024,971 126.867,972 119.637,973 0.59,974 0.353,975 0.189,976 0.095,977 18,978 9,979 0.132,980 5,982 1,983 3.464,984 183.014,986 15,987 102.042,989 2,993 16.242,994 6.474,995 3.199,997 117.521,998 3.204,999 16.819,1002 1.015,1003 3.673,1004 3.697,1006 399.529,1007 34.5,1010 -0.452,1013 21.439,1020 37.171,1021 40.993,1022 0.383,1023 0.763,1024 0.902,1025 0.902,1026 0.902,1027 0.902,1028 4.81,1029 1.114,1030 5.687,1031 3.164,1032 4.29,1033 4.916,1034 3.388,1035 6.529,1036 4.091,1037 6.056,1038 0.919,1039 7.273,1040 2.676,1041 4.007,1042 4.89,1043 2.361,1044 7.486,1045 3.717,1046 7.391,1047 0.659,1048 8.955,1049 2.509,1050 5.922,1051 7.179,1052 5.372,1053 10.584,1054 5.532,1055 8.765,1056 0.336,1057 10.691,1058 1.607,1059 6.447,1060 7.979,1061 4.506,1062 12.36,1063 5.974,1064 10.167,1065 -0.038,1066 12.462,1067 0.503,1068 7.854,1069 9.727,1070 7.439,1071 14.982,1072 7.298,1073 11.59,1074 -0.639,1075 14.258,1076 -0.1,1077 8.721,1078 10.878,1079 6.556,1080 17.097,1081 8.092,1082 13.029,1083 -0.769,1084 16.071,1085 -1.675,1086 9.947,1087 12.425,1088 9.539,1089 19.563,1090 9.244,1091 3.207,1092 -1,1093 17.899,1094 -1.79,1095 10.964,1096 13.729,1097 8.548,1098 21.829,1099 10.193,1100 2.877,1101 11.076,1102 19.738,1103 -2,1104 12.126,1105 15.199,1106 11.658,1107 24.244,1108 11.288,1109 2.73,1110 8.923,1111 21.586,1112 4.294,1113 13.208,1114 16.572,1115 10.509,1116 26.577,1117 12.307,1118 2.232,1119 8.465,1120 23.442,1121 4.018,1122 14.35,1123 18.014,1124 13.789,1125 28.977,1126 13.385,1127 1.946,1128 6.664,1129 25.304,1130 3.76,1131 15.464,1132 19.418,1133 12.452,1134 31.344,1135 14.438,1136 1.726,1137 5.672,1138 27.172,1139 3.122,1140 16.602,1141 20.851,1142 15.928,1143 33.741,1144 15.516,1145 1.207,1146 4.943,1147 29.045,1148 2.557,1149 17.732,1150 22.271,1151 14.386,1152 36.124,1153 16.585,1154 5395,1155 10650,1156 16.126,1157 25.529,1158 38.363,1159 40.888,1160 40.067,1161 37.993,1162 37.904,1163 51.875,1164 11.125,1165 112.402,1166 34.229,1167 5.352,1168 6.575,1169 6.298,1170 5.365,1171 5.207,1172 7.052,1173 5.9,1174 18.501,1175 4.92,1176 13.549,1177 1.535,1178 1.636,1179 1.603,1180 1.52,1181 1.516,1182 2.075,1183 0.445,1184 4.496,1185 1.369,1186 4.051,1187 4.109,1188 4.348,1189 3.906,1190 7.815,1191 3.893,1192 3.913,1193 3.93,1194 4.024,1195 3.804,1196 6.999,1197 3.766,1198 3.739,1199 3.811,1200 3.791,1201 3.505,1202 5.099,1203 3.528,1204 3.385,1205 3.472,1206 3.491,1207 3.219,1208 4.839,1209 3.195,1210 3.348,1211 3.364,1212 3.171,1213 2.948,1214 4.759,1215 3.001,1216 3.022,1217 3.136,1218 3.071,1219 2.8,1220 4.007,1221 2.779,1222 2.941,1223 3.053,1224 2.771,1225 2.674,1226 3.921,1227 2.673,1228 2.517,1229 2.608,1230 2.649,1231 2.42,1232 3.663,1233 2.374,1234 0.183,1235 0.183,1236 0.271,1237 0.165,1238 0.128,1239 4.566,1240 0.172,1241 4.575,1242 0.118,1243 6.774,1244 0.443,1245 4.137,1246 0.12,1247 3.207,1248 4.294,1249 2.95,1250 11.076,1251 2.997,1252 1.703,1253 1.652,1254 1.872,1255 1.922,1256 1.061,1257 1.904,1258 1.562,1259 1.523,1260 1.788,1261 1.913,1262 0.902,1263 1.797,1264 1.53,1265 1.488,1266 1.704,1267 1.781,1268 0.802,1269 1.786,1270 1.473,1271 1.416,1272 1.529,1273 1.673,1274 0.603,1275 1.695,1276 1.252,1277 1.213,1278 1.398,1279 1.457,1280 0.491,1281 1.447,1282 1.115,1283 1.039,1284 1.082,1285 1.356,1286 0.355,1287 1.352,1288 0.858,1289 0.78,1290 1.074,1291 1.203,1292 0.161,1293 1.162,1294 0.691,1295 0.671,1296 0.927,1297 1.03,1299 1.058,1300 3.932,1302 5.273,1303 3.434,1304 6.779,1305 5.778,1306 8.361,1307 7.832,1308 9.987,1310 5.787,1315 0.733,1319 1.251,1326 24.534,1327 71.341,1328 142.064,1329 167.853,1330 167.853,1331 167.853,1332 167.853,1333 37.433,1334 6.899,1335 107.24,1336 160.78,1337 15,1338 12.442,1339 4.17,1340 3.392,1341 36.917,1342 80,1343 74,1344 0.233,1345 161.021,1346 259.5,1347 384.651,1348 8112,1350 16.56,1351 0.72,1352 0.62,1353 17.267,1354 14.258,1355 10.99,1356 0.44,1357 0.334,1358 6.702,1359 9.515,1360 6.334,1361 5.309,1362 11.807,1363 8.348,1364 10.188,1365 0.283,1366 0.192,1367 11.598,1368 6.899,1369 8.51,1370 0.177,1371 0.107,1372 10.226,1373 5.158,1374 7.018,1375 0.111,1376 0.059,1377 8.69,1378 3.73,1379 5.032,1380 0.074,1381 0.037,1382 6.747,1383 2.512,1384 0.363,1385 78.974,1386 0.249,1387 22.493,1388 0.647,1389 122,1390 454.708,1391 199.94,1392 475.663,1393 644.76,1394 440,1395 145,1396 462.113,1397 210.233,1398 488.011,1399 711.92,1400 454,1401 5.537}
{0 CHEMBL1361821,1 1.64,2 8.556,3 2.063,4 4.256,5 64.263,6 8.105,7 0.333,8 3.53,9 3.615,10 3.137,11 2.966,12 4.829,13 2.988,14 4.003,15 4.132,16 3.383,17 3.226,18 5.475,19 3.24,20 4.146,21 4.311,22 3.344,23 3.269,24 5.439,25 3.26,26 4.026,27 4.169,28 3.248,29 3.23,30 5.272,31 3.212,32 4.132,33 4.314,34 3.281,35 3.199,36 5.398,37 3.188,38 4.121,39 4.311,40 3.31,41 3.045,42 5.594,43 3.085,44 3.859,45 4.018,46 3.001,47 2.847,48 5.295,49 2.887,50 3.715,51 3.879,52 2.657,53 2.747,54 5.062,55 2.691,56 0.179,57 0.398,58 5.429,59 2.853,60 10.184,61 3.282,62 0.485,63 0.551,64 10.943,65 4.247,66 55.574,67 5.029,68 0.664,69 0.594,70 14.312,71 4.682,72 62.467,73 5.706,74 0.382,75 0.57,76 11.164,77 4.397,78 46.895,79 5.238,80 0.491,81 0.593,82 13.839,83 4.497,84 49.595,85 5.765,86 0.663,87 0.531,88 14.881,89 3.965,90 62.846,91 5.192,92 0.466,93 0.417,94 10.819,95 2.951,96 61.051,97 3.407,98 0.435,99 0.365,100 9.257,101 2.897,102 57.917,103 3.472,104 31,105 22,106 0.313,107 0.654,108 0.816,109 0.866,110 0.878,111 0.878,112 2.958,113 0.887,114 -3.27,115 -3.25,116 -3.12,120 38.7,121 1,126 2,136 1,138 1,143 4,144 1,145 1,159 1,167 2,174 5,176 2,177 4,185 5,188 2,189 6,197 4,201 5,209 1,213 1,214 9,226 2,227 11,240 4,247 2,251 2,260 3,263 4,271 1,274 436,275 11.905,276 11.905,277 11.905,278 11.905,279 11.905,280 10.518,281 11.372,282 7.507,283 12.267,284 8.853,285 8.853,286 8.853,287 8.853,288 8.853,289 6.723,290 9.364,291 3.505,292 9.304,293 3.314,294 1.521,295 0.67,296 0.411,297 0.347,298 0.347,299 3.591,306 1,307 1,308 297,309 3.606,313 67.444,320 1.333,321 27.09,324 1,325 1,326 1,327 0.8,329 1,330 1,331 0.83,332 41.5,333 154,334 4.232,335 3.709,336 6.14,337 3.822,338 2.854,339 3.86,340 2.612,341 9.043,342 2.763,343 3.866,344 3.673,345 5.031,346 3.313,347 2.351,348 3.417,349 2.513,350 6.07,351 2.233,352 3.643,353 3.031,354 4.685,355 3.154,356 2.191,357 2.82,358 0.965,359 5.216,360 2.106,361 3.003,362 2.01,363 4.343,364 2.545,365 1.593,366 2.156,367 0.257,368 4.211,369 1.517,370 2.916,371 1.81,372 3.632,373 2.451,374 1.463,375 2.075,377 3.07,378 1.434,379 2.366,380 1.521,381 3.248,382 2.006,383 1.089,384 1.146,386 1.974,387 0.984,388 2.158,389 1.229,390 2.943,391 1.629,392 0.649,393 1.013,395 1.357,396 0.631,397 1.787,398 1,399 2.67,400 1.389,401 0.449,402 0.573,404 0.904,405 0.415,406 1,407 0.866,408 2,409 0.607,410 -0.347,411 -0.418,413 -0.716,414 -0.326,415 0.989,416 0.382,417 2,418 0.392,419 -0.593,420 -0.7,422 -1.008,423 -0.573,424 0.677,425 0.047,426 1.783,427 0.197,428 -0.797,429 -1.076,431 -1.922,432 -0.784,433 0.618,434 -0.43,435 1.336,437 -1,438 -1.621,440 -2,441 -1,442 0.089,443 -0.721,444 1.237,445 -0.209,446 -1.212,447 -1.707,449 -2.952,450 -1.199,451 0.073,452 -1.017,453 1,454 -0.288,455 -1.262,456 -1.852,457 -0.586,458 -3.308,459 -1.249,460 -0.474,461 -1.038,462 0.715,463 -0.754,464 -1.628,465 -2,466 -0.612,467 -4.024,468 -1.425,469 8.067,470 0.448,471 0.37,472 0.021,473 23.5,474 1.306,475 12.5,476 0.694,477 11,478 0.611,479 10.365,480 0.576,481 20.733,482 0.669,483 16.665,484 0.926,485 5.098,486 0.283,487 3.532,488 0.196,489 0.186,491 0.236,496 0.561,497 1.254,498 0.68,499 1.241,500 0.54,501 1.058,502 0.834,503 1.08,504 0.856,505 1.096,506 0.475,507 1.006,508 1.023,509 0.798,510 0.972,511 0.813,512 0.814,513 0.865,514 1.025,515 1.288,516 1.094,517 1.277,518 0.933,519 1.23,520 0.999,521 1.133,522 0.969,523 1.107,524 0.893,525 1.046,526 1.081,527 0.935,528 0.826,529 0.865,530 1.01,531 0.771,532 1.594,533 0.936,534 1.235,535 0.905,536 1.708,537 0.925,538 1.287,539 0.947,540 1.446,541 1.067,542 1.731,543 1.283,544 3.5,545 0.033,546 1.778,547 0.625,548 0.542,549 0.569,550 0.287,551 0.189,552 0.132,553 0.056,554 2492,555 10431,556 1.876,557 41.9,559 9,560 1,564 3,567 1.587,568 1.742,569 3.109,570 -0.654,572 1,573 1,574 1,575 50.845,576 1.64,577 3.433,578 4.285,579 4.543,580 4.607,581 4.607,582 2.53,583 3.948,584 4.136,585 3.233,586 494.605,587 7.027,588 4883.69,590 1,592 1,593 153.58,594 1.436,595 4.086,596 0.194,597 0.011,598 0.081,599 0.03,600 0.029,601 0.03,602 0.015,603 0.014,604 0.015,605 0.008,606 0.426,607 0.5,608 1,609 2.234,610 77.812,611 0.126,612 -0.025,613 0.053,614 -0.097,615 -0.018,616 -0.071,617 0.087,618 -0.035,619 0.026,620 -0.046,621 0.206,622 -0.032,623 -0.023,624 0.167,625 -0.012,626 0.181,627 -0.044,628 0.108,629 -0.177,630 -0.251,631 -0.226,632 -0.227,633 -0.143,634 -0.244,635 -0.097,636 -0.157,637 -0.016,638 -0.133,639 -0.072,640 -0.066,641 0.025,642 -0.034,643 0.222,644 0.038,645 0.064,646 0.174,647 -0.4,648 0.02,649 -0.228,650 0.001,651 -0.313,652 -0.033,653 -0.21,654 0.004,655 -0.475,656 -0.115,657 -0.396,658 -0.352,659 2.567,660 4.12,661 0.333,662 14.247,663 1.034,664 1.13,665 2.035,666 4.143,667 0.64,668 2.944,669 3.135,670 3.219,671 3.332,672 3.466,673 3.401,674 3.332,675 3.219,676 3.091,677 2.639,678 5.195,679 0.637,680 251.26,681 2.944,682 4.394,683 5.153,684 5.958,685 6.746,686 7.561,687 8.362,688 9.181,689 9.991,690 10.812,691 3.2,703 1,709 4,714 2,716 6,735 1,738 31,739 10,740 1,741 18,743 31,744 12,745 6,746 2,747 4,748 2,752 1,753 1,759 1,768 9,769 3,772 4,775 1,778 3,780 2,782 1,786 1,789 13,790 5,792 6,797 1,803 1,804 5,823 1,841 1,845 1,850 1,855 1,859 1,862 18,869 2,872 2,886 16.1,889 1,891 2,892 2,893 10.333,894 5.783,895 4.278,896 1.807,898 1.953,899 1.346,900 0.875,901 5.878,902 7.595,903 3.258,904 3.726,905 4.073,906 4.464,907 4.963,908 5.063,909 5.256,910 5.382,911 5.579,912 5.045,913 0.833,914 21,915 6.582,917 2.594,918 8.389,919 11.817,921 8.481,924 2.889,925 52,929 153.024,930 90.059,931 5.67,933 97.892,936 90.059,937 250.916,938 5.67,939 14.495,940 18.232,941 47.381,942 32.336,943 30.429,944 11.771,945 141.253,946 50.747,947 153.024,948 95.729,949 97.892,952 117.711,953 82.458,954 50.747,956 18.01,957 68.243,958 9.476,960 153.024,961 103.562,962 90.059,965 153.024,966 24.805,967 70.924,969 97.892,970 153.024,971 103.562,972 90.059,973 0.546,974 0.284,975 0.143,976 0.079,977 7,978 4,979 0.226,980 7,982 1,983 3.031,984 108.918,986 6,987 73.059,993 14.192,994 7.455,995 5.353,997 97.892,998 6.708,1003 0.919,1006 346.645,1007 25,1010 -0.567,1013 31.598,1015 2.118,1017 -0.481,1020 32.04,1021 35.037,1022 0.331,1023 0.693,1024 0.865,1025 0.917,1026 0.93,1027 0.93,1028 4.413,1029 0.449,1030 5.081,1031 1.357,1032 3.807,1033 4.407,1034 3.214,1035 5.74,1036 3.72,1037 5.581,1038 -0.347,1039 6.55,1040 0.904,1041 3.219,1042 4.159,1043 2.946,1044 6.418,1045 3.134,1046 6.847,1047 -0.593,1048 8.12,1049 -0.716,1050 5.242,1051 6.483,1052 4.771,1053 9.413,1054 5.077,1055 8.149,1056 -0.797,1057 9.752,1058 -1.008,1059 5.442,1060 7.016,1061 5.131,1062 10.973,1063 5.27,1064 9.479,1065 -1,1066 11.427,1067 -1.922,1068 6.942,1069 8.829,1070 6.512,1071 13.473,1072 6.712,1073 10.828,1074 -1.212,1075 13.132,1076 -2,1077 7.537,1078 9.72,1079 7.149,1080 15.405,1081 7.288,1082 12.192,1083 -1.262,1084 14.86,1085 -2.952,1086 8.794,1087 11.314,1088 8.325,1089 17.726,1090 8.505,1091 2.854,1092 -1.628,1093 16.606,1094 -3.308,1095 9.6,1096 12.391,1097 9.101,1098 19.815,1099 9.283,1100 2.351,1101 9.043,1102 18.366,1103 -4.024,1104 10.74,1105 13.875,1106 10.173,1107 22.066,1108 10.392,1109 2.191,1110 6.07,1111 20.137,1112 3.86,1113 11.659,1114 15.057,1115 11.024,1116 24.22,1117 11.278,1118 1.593,1119 5.216,1120 21.917,1121 3.417,1122 12.744,1123 16.48,1124 12.041,1125 26.443,1126 12.336,1127 1.463,1128 4.211,1129 23.704,1130 2.82,1131 13.723,1132 17.724,1133 12.932,1134 28.625,1135 13.281,1136 1.089,1137 3.07,1138 25.497,1139 2.156,1140 14.784,1141 19.114,1142 13.919,1143 30.836,1144 14.315,1145 0.649,1146 1.974,1147 27.294,1148 2.075,1149 15.794,1150 20.395,1151 14.834,1152 33.029,1153 15.292,1154 2728,1155 5689,1156 11.326,1157 19.847,1158 25.721,1159 26.777,1160 26.274,1161 25.242,1162 25.277,1163 34.119,1164 12.696,1165 63.687,1166 24.17,1167 5.112,1168 5.709,1169 5.914,1170 4.883,1171 4.854,1172 6.86,1173 4.612,1174 15.154,1175 4.763,1176 10.487,1177 1.429,1178 1.488,1179 1.46,1180 1.402,1181 1.404,1182 1.895,1183 0.705,1184 3.538,1185 1.343,1186 3.961,1187 3.983,1188 3.913,1189 3.871,1190 7.816,1191 3.873,1192 3.719,1193 3.745,1194 3.687,1195 3.381,1196 7.432,1197 3.434,1198 3.617,1199 3.641,1200 3.527,1201 3.361,1202 6.999,1203 3.39,1204 3.338,1205 3.398,1206 3.144,1207 3.124,1208 4.853,1209 3.122,1210 3.046,1211 3.082,1212 2.953,1213 2.761,1214 4.476,1215 2.822,1216 2.877,1217 2.91,1218 2.773,1219 2.706,1220 4.279,1221 2.71,1222 2.615,1223 2.678,1224 2.438,1225 2.279,1226 4.131,1227 2.33,1228 2.441,1229 2.533,1230 2.2,1231 2.144,1232 3.627,1233 2.147,1234 0.235,1235 0.206,1236 0.341,1237 0.212,1238 0.159,1239 4.232,1240 0.214,1241 3.709,1242 0.145,1243 6.14,1244 0.502,1245 3.822,1246 0.154,1247 2.854,1248 3.86,1249 2.612,1250 9.043,1251 2.763,1252 1.916,1253 1.895,1254 2.018,1255 2.044,1256 1.104,1257 2.023,1258 1.528,1259 1.49,1260 1.811,1261 1.884,1262 0.943,1263 1.805,1264 1.507,1265 1.465,1266 1.646,1267 1.79,1268 0.703,1269 1.778,1270 1.302,1271 1.249,1272 1.552,1273 1.561,1274 0.598,1275 1.566,1276 0.91,1277 0.875,1278 1.129,1279 1.215,1280 0.171,1281 1.19,1282 0.833,1283 0.793,1284 1.023,1285 1.06,1286 0.111,1287 1.061,1288 0.515,1289 0.449,1290 0.985,1291 0.903,1292 0.006,1293 0.932,1294 0.419,1295 0.332,1296 0.706,1297 0.733,1299 0.745,1300 3.611,1302 4.828,1304 6.225,1306 7.709,1308 9.244,1310 1.7,1315 0.058,1318 9.947,1326 19.756,1327 50.845,1328 106.419,1329 132.825,1330 140.825,1331 142.825,1332 142.825,1333 41.689,1334 5.642,1335 81.35,1336 81.35,1337 6,1338 11.395,1339 3.459,1340 3,1341 41.683,1342 53,1343 60,1344 0.38,1345 127.696,1346 232.01,1347 303.339,1348 1603,1350 13.38,1351 0.743,1352 0.548,1353 13.38,1354 9.867,1355 8.63,1356 0.479,1357 0.296,1358 5.197,1359 8.025,1360 5.092,1361 4.259,1362 8.63,1363 5.323,1364 7.247,1365 0.329,1366 0.147,1367 7.247,1368 3.233,1369 4.993,1370 0.208,1371 0.081,1372 4.993,1373 1.946,1374 3.728,1375 0.138,1376 0.046,1377 3.728,1378 1.23,1379 2.785,1380 0.09,1381 0.023,1382 2.785,1383 0.723,1384 0.59,1385 56.111,1386 0.297,1387 18.408,1388 1.047,1389 80,1390 378.323,1391 95.254,1392 343.859,1393 436.24,1394 316,1395 86,1396 298.558,1397 99.348,1398 288.789,1399 408.21,1400 269,1401 5.394}
{0 CHEMBL1361922,1 1.377,2 9.208,3 4.583,4 21.002,5 98.193,6 6.84,7 0.593,8 3.944,9 4.083,10 3.464,11 3.478,12 4.931,13 3.441,14 4.515,15 4.723,16 3.822,17 3.889,18 5.407,19 3.827,20 4.768,21 5.008,22 3.883,23 4.028,24 5.606,25 3.933,26 4.857,27 5.13,28 3.849,29 4.032,30 5.691,31 3.921,32 4.794,33 5.055,34 3.759,35 4.01,36 5.63,37 3.889,38 4.768,39 5.043,40 3.66,41 3.922,42 5.606,43 3.799,44 4.591,45 4.863,46 3.433,47 3.729,48 5.423,49 3.601,50 4.356,51 4.624,52 3.157,53 3.513,54 5.162,55 3.366,56 0.063,57 0.744,58 10.698,59 4.173,60 8.941,61 6.077,62 0.213,63 1.214,64 20.141,65 6.965,66 16.699,67 10.467,68 0.2,69 1.462,70 26.421,71 8.925,72 22.721,73 13.734,74 0.391,75 1.529,76 29.8,77 9.458,78 30.983,79 14.634,80 0.225,81 1.435,82 27.518,83 9.165,84 27.904,85 14.158,86 0.275,87 1.375,88 27.271,89 8.2,90 30.301,91 13.061,92 0.254,93 1.153,94 22.883,95 6.544,96 25.529,97 10.566,98 0.174,99 0.9,100 17.877,101 5.592,102 19.515,103 8.786,104 5,105 38,106 0.235,107 0.561,108 0.739,109 0.814,110 0.834,111 0.834,112 3.229,113 0.969,114 -5.84,115 -5.7,116 -5.31,120 40.4,121 1,122 5,125 1,128 1,143 4,144 2,145 1,146 1,148 1,149 1,162 1,167 1,174 9,176 3,177 9,185 10,188 1,189 6,197 5,200 5,201 9,209 5,214 6,222 4,227 13,235 3,240 10,252 7,260 4,271 8,274 748,275 16.552,276 16.552,277 16.552,278 16.552,279 16.552,280 14.714,281 18.429,282 9.811,283 16.866,284 13.337,285 13.337,286 13.337,287 13.337,288 13.337,289 10.576,290 24.209,291 4.641,292 13.864,293 4.178,294 2.268,295 1.223,296 0.788,297 0.67,298 0.67,299 3.929,306 1,307 1,308 486,309 2.55,312 45.627,313 194.839,316 87.473,320 1.559,321 11.086,323 1,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.84,332 50.5,333 221,334 4.676,335 3.377,336 6.897,337 4.214,338 3.264,339 4.624,340 0.8,341 11.546,342 3.1,343 4.161,344 3.095,345 6.426,346 3.851,347 2.906,348 3.738,350 9.824,351 2.751,352 3.848,353 2.666,354 5.844,355 3.543,356 2.562,357 3.216,359 7.978,360 2.511,361 3.493,362 2.355,363 5.266,364 3.195,365 2.219,366 2.668,368 6.406,369 2.162,370 3.144,371 1.967,372 4.891,373 2.823,374 1.853,375 2.33,377 5.317,378 1.793,379 3.046,380 1.553,381 4.352,382 2.469,383 1.547,384 2.315,386 3.821,387 1.451,388 2.723,389 1.544,390 4.009,391 2.465,392 1.491,393 1.809,395 3.443,396 1.422,397 2.6,398 1.274,399 3.831,400 2.22,401 1.231,402 1.613,404 2.967,405 1.216,406 2.5,407 1.004,408 3.471,409 2,410 1,411 1.5,413 2.465,414 1,415 2.183,416 1,417 3.424,418 1.968,419 1,420 1.106,422 2.226,423 0.966,424 2,425 1,426 3.247,427 1.869,428 0.921,429 1,431 2.136,432 0.871,433 1.738,434 0.547,435 3.174,436 1.399,437 0.468,438 0.593,440 1.169,441 0.435,442 0.957,443 -0.131,444 2.492,445 0.601,446 -0.395,447 -0.503,449 -0.883,450 -0.393,451 0.832,452 -0.422,453 2.397,454 0.395,455 -0.543,456 -0.688,458 -1.392,459 -0.506,460 0.734,461 -0.601,462 2.127,463 0.272,464 -0.681,465 -0.775,467 -1.623,468 -0.645,469 11.5,470 0.479,471 0.521,472 0.022,473 30.5,474 1.271,475 14.5,476 0.604,477 16,478 0.667,479 20.784,480 0.866,481 25.7,482 0.547,483 19.611,484 0.817,485 5.487,486 0.229,487 6.25,488 0.26,489 0.087,491 0.33,496 0.769,497 1.436,498 0.84,499 1.177,500 0.72,501 1.043,502 0.967,503 1.098,504 0.883,505 0.969,506 0.701,507 0.925,508 0.965,509 1.262,510 0.921,511 1.086,512 0.632,513 1.013,514 1.042,515 0.864,516 0.93,517 0.858,518 0.91,519 0.878,520 1.121,521 1.073,522 1.003,523 1.001,524 1.147,525 0.991,526 1.436,527 0.997,528 1.079,529 0.917,530 1.485,531 0.952,532 1.675,533 1.016,534 1.231,535 0.971,536 1.678,537 1.039,538 1.419,539 1.079,540 1.241,541 1.096,542 1.455,543 1.14,544 3.5,545 0.049,546 2.889,547 1.847,548 1.152,549 0.681,550 0.469,551 0.29,552 0.136,553 0.064,554 6268,555 12279,556 2.161,557 48.9,558 9,559 8,561 2,564 4,567 1.672,568 2.057,569 3.208,570 -0.782,575 64.703,576 1.377,577 3.286,578 4.332,579 4.767,580 4.884,581 4.884,582 2.705,583 4.335,584 4.555,585 3.329,586 918.725,587 7.876,588 10412.3,590 1,593 261.066,594 1.281,595 4.532,596 0.13,597 0.005,598 0.076,599 0.047,600 0.031,601 0.02,602 0.016,603 0.013,604 0.008,605 0.005,606 0.35,607 0.5,608 0.88,609 0.49,610 112.358,611 0.183,612 -0.212,613 0.095,614 -0.096,615 0.157,616 -0.024,617 0.169,618 0.03,619 0.091,620 0.033,621 0.215,622 0.05,623 0.069,624 -0.223,625 0.055,626 -0.097,627 0.236,628 -0.035,629 0.16,630 0.145,631 0.073,632 0.082,633 0.159,634 0.07,635 -0.098,636 -0.07,637 -0.024,638 -0.023,639 -0.068,640 -0.017,641 -0.211,642 0.01,643 -0.076,644 0.014,645 -0.203,646 -0.011,647 -0.329,648 0.014,649 -0.22,650 -0.06,651 -0.375,652 -0.117,653 -0.262,654 -0.072,655 -0.25,656 -0.152,657 -0.319,658 -0.191,659 0.798,660 1.582,661 0.875,662 19.167,663 0.989,664 1.133,665 4.613,666 21.281,667 0.657,668 3.332,669 3.664,670 3.989,671 4.29,672 4.511,673 4.585,674 4.754,675 4.89,676 4.927,677 4.99,678 5.495,679 0.614,680 321.47,681 3.332,682 4.875,683 5.746,684 6.637,685 7.527,686 8.427,687 9.324,688 10.229,689 11.132,690 12.04,691 10.6,697 1,699 1,701 3,708 2,709 6,710 3,714 3,715 1,716 16,732 1,738 47,739 16,740 1,741 27,743 50,744 19,745 11,746 2,747 4,752 4,753 5,759 1,763 6,766 6,768 11,769 8,786 1,789 23,790 4,792 5,797 5,803 0.75,814 1,817 1,822 1,823 3,826 1,855 3,859 2,862 24,869 5,874 1,875 1,893 11.667,894 9.083,895 5.25,896 3.104,898 3.246,899 1.438,900 0.999,901 4.134,902 10.658,903 3.584,904 4.201,905 4.853,906 5.504,907 6.05,908 6.427,909 6.908,910 7.365,911 7.612,912 7.961,913 1,914 39,915 8.872,917 3.742,918 7.424,919 17.625,921 14.85,924 1.924,925 46.167,926 0.001,928 1,929 270.735,930 98.024,931 55.135,936 98.024,937 270.735,938 55.135,939 17.222,940 12.673,941 37.905,942 75.492,943 31.082,944 2.328,945 247.193,947 270.735,948 153.159,952 223.651,953 47.084,956 42.656,957 60.269,958 50.234,960 270.735,961 55.135,962 98.024,965 270.735,966 25.231,967 77.693,969 50.234,970 270.735,971 55.135,972 98.024,973 0.58,974 0.35,975 0.199,976 0.107,977 20,978 8,979 0.06,980 3,981 1,982 1.095,983 3.608,984 205.475,985 0.095,986 21,987 104.039,993 15.438,994 6.427,995 2.892,996 1.889,997 53.358,998 11.878,999 13.648,1003 3.241,1004 1.905,1006 423.894,1007 35,1020 46.461,1021 53.228,1022 0.248,1023 0.592,1024 0.78,1025 0.858,1026 0.879,1027 0.879,1028 4.82,1029 1.231,1030 5.727,1031 3.443,1032 4.344,1033 4.887,1034 0.673,1035 6.569,1036 4.265,1037 6.019,1038 1,1039 7.3,1040 2.967,1041 3.892,1042 4.677,1043 0.325,1044 7.542,1045 3.755,1046 7.328,1047 1,1048 8.982,1049 2.465,1050 5.953,1051 7.131,1052 0.379,1053 10.701,1054 5.785,1055 8.679,1056 0.921,1057 10.728,1058 2.226,1059 6.382,1060 7.844,1061 0.268,1062 12.544,1063 6.143,1064 10.071,1065 0.468,1066 12.518,1067 2.136,1068 7.885,1069 9.739,1070 0.239,1071 15.216,1072 7.616,1073 11.49,1074 -0.395,1075 14.338,1076 1.169,1077 8.715,1078 10.887,1079 0.188,1080 17.397,1081 8.373,1082 12.932,1083 -0.543,1084 16.178,1085 -0.883,1086 9.998,1087 12.557,1088 0.156,1089 19.909,1090 9.621,1091 3.264,1092 -0.681,1093 18.034,1094 -1.392,1095 11.011,1096 13.909,1097 0.125,1098 22.23,1099 10.564,1100 2.906,1101 11.546,1102 19.901,1103 -1.623,1104 12.211,1105 15.488,1106 0.102,1107 24.688,1108 11.722,1109 2.562,1110 9.824,1111 21.777,1112 4.624,1113 13.306,1114 16.934,1115 0.082,1116 27.07,1117 12.754,1118 2.219,1119 7.978,1120 23.66,1121 3.738,1122 14.478,1123 18.478,1124 0.066,1125 29.51,1126 13.878,1127 1.853,1128 6.406,1129 25.55,1130 3.216,1131 15.611,1132 19.969,1133 0.054,1134 31.921,1135 14.952,1136 1.547,1137 5.317,1138 27.443,1139 2.668,1140 16.776,1141 21.501,1142 0.043,1143 34.357,1144 16.067,1145 1.491,1146 3.821,1147 29.341,1148 2.33,1149 17.927,1150 23.011,1151 0.035,1152 36.782,1153 17.162,1154 5921,1155 8469,1156 18.493,1157 30.881,1158 41.113,1159 40.741,1160 42.11,1161 40.921,1162 40.925,1163 53.026,1164 1.6,1165 118.596,1166 39.356,1167 5.676,1168 5.377,1169 6.699,1170 5.294,1171 5.264,1172 7.624,1173 1.2,1174 19.186,1175 5.1,1176 8.525,1177 1.523,1178 1.509,1179 1.56,1180 1.516,1181 1.516,1182 1.964,1183 0.059,1184 4.392,1185 1.458,1186 4.127,1187 4.177,1188 4.104,1189 3.975,1190 5.156,1191 3.998,1192 3.883,1193 3.936,1194 3.799,1195 3.788,1196 4.741,1197 3.786,1198 3.82,1199 3.864,1200 3.707,1201 3.712,1202 4.522,1203 3.705,1204 3.401,1205 3.491,1206 3.292,1207 3.167,1208 4.321,1209 3.182,1210 3.214,1211 3.303,1212 3.091,1213 3.023,1214 4.042,1215 3.011,1216 3.132,1217 3.217,1218 2.95,1219 2.941,1220 3.881,1221 2.941,1222 3.111,1223 3.206,1224 2.866,1225 2.923,1226 3.739,1227 2.91,1228 2.957,1229 3.063,1230 2.761,1231 2.765,1232 3.571,1233 2.75,1234 0.173,1235 0.125,1236 0.255,1237 0.156,1238 0.121,1239 4.676,1240 0.171,1241 3.377,1242 0.03,1243 6.897,1244 0.428,1245 4.214,1246 0.115,1247 3.264,1248 4.624,1249 0.8,1250 11.546,1251 3.1,1252 1.942,1253 1.909,1254 2.101,1255 2.083,1256 1.485,1257 2.081,1258 1.891,1259 1.841,1260 2.043,1261 2.025,1262 1.153,1263 2.036,1264 1.757,1265 1.715,1266 1.847,1267 1.906,1268 0.99,1269 1.9,1270 1.341,1271 1.258,1272 1.61,1273 1.615,1274 0.825,1275 1.608,1276 1.267,1277 1.183,1278 1.549,1279 1.521,1280 0.799,1281 1.526,1282 1.153,1283 1.065,1284 1.513,1285 1.376,1286 0.62,1287 1.429,1288 1.143,1289 1.064,1290 1.396,1291 1.37,1292 0.577,1293 1.399,1294 1.001,1295 0.898,1296 1.349,1297 1.248,1298 0.323,1299 1.305,1300 4.007,1302 5.333,1303 2.398,1304 6.868,1305 4.727,1306 8.496,1307 6.862,1308 10.172,1310 4.244,1315 6.467,1320 0.569,1321 2.325,1326 28.848,1327 64.703,1328 154.459,1329 203.582,1330 224.046,1331 229.556,1332 229.556,1333 28.29,1334 7.412,1335 46.84,1336 46.84,1337 23,1338 12.558,1339 4.087,1340 3.17,1341 33.755,1342 79,1343 76,1344 0.215,1345 176.931,1346 291.64,1347 423.472,1348 16055,1350 16.518,1351 0.688,1352 0.596,1353 16.518,1354 14.313,1355 11.737,1356 0.435,1357 0.323,1358 8.625,1359 11.351,1360 8.368,1361 6.998,1362 11.737,1363 8.725,1364 10.453,1365 0.275,1366 0.177,1367 10.453,1368 6.733,1369 9.209,1370 0.174,1371 0.095,1372 9.209,1373 5.048,1374 8.011,1375 0.111,1376 0.051,1377 8.011,1378 3.703,1379 6.414,1380 0.071,1381 0.028,1382 6.414,1383 2.548,1384 0.328,1385 72.945,1386 0.233,1387 23.087,1388 0.616,1389 130,1390 308.226,1391 140.491,1392 306.426,1393 439.57,1394 290,1395 156,1396 347.265,1397 168.628,1398 353.277,1399 519.82,1400 332,1401 6.796}
{0 CHEMBL1362096,1 1.423,2 8.571,3 3.812,4 14.529,5 109.029,6 7.16,7 0.548,8 4.071,9 4.171,10 3.61,11 3.594,12 5.147,13 3.578,14 4.619,15 4.778,16 3.94,17 3.981,18 5.61,19 3.951,20 4.828,21 4.999,22 4.083,23 4.188,24 5.782,25 4.129,26 4.972,27 5.158,28 4.152,29 4.3,30 5.93,31 4.215,32 5.12,33 5.327,34 4.272,35 4.401,36 6.063,37 4.324,38 5.234,39 5.416,40 4.305,41 4.457,42 6.271,43 4.38,44 5.28,45 5.498,46 4.125,47 4.402,48 6.246,49 4.274,50 5.186,51 5.474,52 3.685,53 4.096,54 6.002,55 3.914,56 0.02,57 0.696,58 11.536,59 5.293,60 10.655,61 6.596,62 0.273,63 1.148,64 22.202,65 8.349,66 25.804,67 10.597,68 0.289,69 1.427,70 27.107,71 10.848,72 29.614,73 14.166,74 0.38,75 1.64,76 31.442,77 12.927,78 37.246,79 17.334,80 0.216,81 1.88,82 37.057,83 14.769,84 37.363,85 19.954,86 0.63,87 2.004,88 42.541,89 15.96,90 70.989,91 20.49,92 0.629,93 2.036,94 45.625,95 17.304,96 78.214,97 23.002,98 0.649,99 1.754,100 44.613,101 15.195,102 72.803,103 21.277,104 14,105 43,106 0.237,107 0.537,108 0.712,109 0.801,110 0.835,111 0.86,112 3.376,113 0.916,114 -3.67,115 -3.64,116 -3.46,120 43.4,125 2,126 4,128 1,143 9,144 4,145 3,174 11,177 6,182 2,185 16,188 1,189 4,194 2,197 13,200 2,201 8,204 1,206 3,209 10,214 6,219 3,222 9,226 1,227 7,230 1,232 3,235 10,239 1,240 9,243 1,247 7,252 7,255 1,260 2,263 1,264 4,274 1292,275 19.499,276 19.499,277 19.499,278 19.499,279 19.499,280 17.485,281 21.443,282 11.558,283 20.145,284 15.191,285 15.191,286 15.191,287 15.191,288 15.191,289 12.095,290 26.668,291 5.299,292 16.023,293 4.304,294 2.498,295 1.449,296 0.911,297 0.708,298 0.557,299 4.075,305 1,306 1,307 1,308 518,309 3,313 308.663,317 117.268,320 1.102,321 23.199,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60.5,333 240,334 4.656,335 3.679,336 7.112,337 4.313,338 3.335,339 4.527,340 1.277,341 12.385,342 3.265,343 4.31,344 3.099,345 6.431,346 3.898,347 2.921,348 3.955,349 0.86,350 9.893,351 2.853,352 3.867,353 2.894,354 5.87,355 3.54,356 2.597,357 3.296,358 0.86,359 8.126,360 2.45,361 3.587,362 2.633,363 5.512,364 3.216,365 2.26,366 2.91,367 0.86,368 6.884,369 2.148,370 3.408,371 2.473,372 5.216,373 3.111,374 2.185,375 2.592,376 0.494,377 6.407,378 2.014,379 3.195,380 2.298,381 4.719,382 2.769,383 1.813,384 2.441,386 4.873,387 1.739,388 2.925,389 1.905,390 4.549,391 2.567,392 1.615,393 2.089,395 4.353,396 1.522,397 2.889,398 1.754,399 3.993,400 2.404,401 1.412,402 2.033,404 3.214,405 1.399,406 2.561,407 1.455,408 3.637,409 2.281,410 1.378,411 1.57,413 3.009,414 1.235,415 2.291,416 1.256,417 3.552,418 1.952,419 1,420 1.228,422 2.406,423 0.946,424 2,425 1.238,426 3.288,427 1.913,428 0.951,429 1,431 2.136,432 0.909,433 1.922,434 0.998,435 3.247,436 1.611,437 0.668,438 0.823,440 1.484,441 0.624,442 1.592,443 0.938,444 2.939,445 1.32,446 0.464,447 0.512,449 0.69,450 0.394,451 1.574,452 0.682,453 2.776,454 1.279,455 0.372,456 0.431,458 0.673,459 0.334,460 1.138,461 0.258,462 2.703,463 0.786,464 -0.146,465 -0.175,467 -0.32,468 -0.134,469 13.233,470 0.473,471 0.534,472 0.019,473 35.5,474 1.268,475 17.5,476 0.625,477 18,478 0.643,479 24.23,480 0.865,481 30.567,482 0.577,483 28.625,484 1.022,485 7.403,486 0.264,487 6.321,488 0.226,489 0.101,491 0.332,496 0.91,497 1.268,498 0.818,499 1.138,500 0.925,501 0.99,502 1.384,503 0.905,504 0.979,505 0.809,506 0.913,507 0.813,508 1,509 1.019,510 0.973,511 0.966,512 0.9,513 0.961,514 0.66,515 1.146,516 0.951,517 1.104,518 0.879,519 1.083,520 0.766,521 1.09,522 0.854,523 1.041,524 0.854,525 0.969,526 1.298,527 1.047,528 1.169,529 1.081,530 1.51,531 1.098,532 1.026,533 1.155,534 1.155,535 1.205,536 1.211,537 1.207,538 1.011,539 0.876,540 0.984,541 0.925,542 0.85,543 0.947,544 4,545 0.045,546 2.889,547 2.125,548 2.271,549 1.257,550 0.691,551 0.547,552 0.286,553 0.097,554 8081,555 20493,556 2.115,557 47.2,559 24,562 1,567 1.724,568 2,569 3.004,570 -0.394,572 1,575 75.441,576 1.423,577 3.229,578 4.279,579 4.817,580 5.02,581 5.171,582 2.405,583 4.084,584 4.779,585 3.15,586 1190.82,587 8.385,588 15043.2,590 1,592 1,593 303.58,594 1.333,595 4.748,596 0.129,597 0.009,598 0.067,599 0.043,600 0.045,601 0.022,602 0.012,603 0.012,604 0.011,605 0.007,606 0.358,607 0.5,608 1,609 0.789,610 135.33,611 -0.034,612 -0.135,613 0.063,614 -0.062,615 -0.068,616 0.003,617 -0.207,618 0.188,619 -0.011,620 0.186,621 -0.082,622 0.134,623 -0.076,624 0.059,625 -0.038,626 0.048,627 -0.047,628 0.017,629 0.116,630 -0.094,631 -0.03,632 -0.084,633 0.022,634 -0.086,635 0.003,636 -0.055,637 0.083,638 -0.036,639 0.049,640 0.028,641 -0.093,642 -0.033,643 -0.183,644 -0.094,645 -0.118,646 -0.143,647 0.017,648 -0.202,649 -0.171,650 -0.219,651 -0.048,652 -0.226,653 0.01,654 0.011,655 0.05,656 0.011,657 0.039,658 0.034,659 1.49,660 4.912,661 0.786,662 20.306,663 1,664 1.119,665 2.44,666 5.952,667 0.66,668 3.466,669 3.784,670 4.127,671 4.454,672 4.771,673 4.852,674 4.99,675 5.1,676 5.147,677 5.037,678 5.259,679 0.626,680 379.49,681 3.466,682 5.004,683 5.878,684 6.774,685 7.675,686 8.584,687 9.494,688 10.408,689 11.322,690 12.239,691 1.9,694 1,708 2,709 9,714 5,716 17,734 1,735 2,738 53,739 17,740 3,741 31,743 56,744 23,745 16,746 7,747 9,752 4,753 5,766 1,768 16,769 7,786 1,789 25,790 5,791 1,792 5,797 1,803 0.75,804 4,823 4,827 1,851 1,854 1,855 3,859 2,862 28,868 1,869 4,872 3,874 1,875 1,886 7.5,888 1,890 1,891 2,893 14,894 9.983,895 6.361,896 3.039,898 3.153,899 1.426,900 0.958,901 5.713,902 10.562,903 3.701,904 4.304,905 4.94,906 5.564,907 6.181,908 6.475,909 6.871,910 7.275,911 7.653,912 7.755,913 0.833,914 49,915 10.367,917 4.373,918 7.625,919 20.051,921 16.497,924 2.125,925 59.5,927 1,928 1,929 282.506,930 142.452,931 3.124,933 75.683,936 142.452,937 358.189,938 3.124,939 21.766,940 13.396,941 85.286,942 53.683,943 47.128,945 282.506,947 282.506,948 145.577,949 75.683,952 282.506,953 64.683,954 11,956 16.52,957 129.056,960 282.506,961 78.807,962 142.452,965 282.506,966 35.4,967 110.177,969 75.683,970 282.506,971 78.807,972 142.452,973 0.569,974 0.354,975 0.209,976 0.127,977 21,978 9,979 0.089,980 5,981 1,982 1.091,983 3.737,984 262.789,985 0.091,986 22,987 128.606,993 19.062,994 8.393,995 3.71,996 2.137,997 78.807,998 17.746,1003 3.653,1005 42.683,1006 503.766,1007 39.5,1020 53.014,1021 59.318,1022 0.249,1023 0.564,1024 0.747,1025 0.841,1026 0.876,1027 0.903,1028 4.936,1029 1.412,1030 5.855,1031 4.353,1032 4.466,1033 4.99,1034 2.129,1035 6.713,1036 4.378,1037 6.13,1038 1.378,1039 7.435,1040 3.214,1041 4.007,1042 4.796,1043 0.914,1044 7.74,1045 3.895,1046 7.441,1047 1,1048 9.124,1049 3.009,1050 6.084,1051 7.224,1052 2.01,1053 10.914,1054 5.942,1055 8.794,1056 0.951,1057 10.881,1058 2.406,1059 6.509,1060 7.906,1061 1.413,1062 12.827,1063 6.348,1064 10.184,1065 0.668,1066 12.682,1067 2.136,1068 8.021,1069 9.793,1070 2.077,1071 15.534,1072 7.841,1073 11.601,1074 0.464,1075 14.515,1076 1.484,1077 8.858,1078 10.889,1079 1.855,1080 17.802,1081 8.662,1082 13.038,1083 0.372,1084 16.37,1085 0.69,1086 10.152,1087 12.552,1088 2.298,1089 20.364,1090 9.94,1091 3.335,1092 -0.146,1093 18.244,1094 0.673,1095 11.181,1096 13.853,1097 2.297,1098 22.776,1099 10.953,1100 2.921,1101 12.385,1102 20.131,1103 -0.32,1104 12.396,1105 15.418,1106 2.63,1107 25.296,1108 12.152,1109 2.597,1110 9.893,1111 22.029,1112 4.527,1113 13.512,1114 16.819,1115 2.751,1116 27.765,1117 13.251,1118 2.26,1119 8.126,1120 23.936,1121 3.955,1122 14.702,1123 18.343,1124 3.033,1125 30.275,1126 14.425,1127 2.185,1128 6.884,1129 25.851,1130 3.296,1131 15.857,1132 19.794,1133 3.216,1134 32.768,1135 15.562,1136 1.813,1137 6.407,1138 27.772,1139 2.91,1140 17.043,1141 21.302,1142 3.475,1143 35.277,1144 16.73,1145 1.615,1146 4.873,1147 29.698,1148 2.592,1149 18.217,1150 22.777,1151 3.689,1152 37.782,1153 17.885,1154 7808,1155 12512,1156 20.978,1157 34.961,1158 45.876,1159 46.856,1160 48.003,1161 45.885,1162 45.941,1163 58.814,1164 8.701,1165 133.061,1166 43.664,1167 5.656,1168 5.679,1169 6.914,1170 5.417,1171 5.335,1172 7.527,1173 2.137,1174 19.94,1175 5.265,1176 11.613,1177 1.48,1178 1.511,1179 1.548,1180 1.48,1181 1.482,1182 1.897,1183 0.281,1184 4.292,1185 1.409,1186 4.121,1187 4.139,1188 4.08,1189 4.073,1190 6.469,1191 4.072,1192 3.917,1193 3.937,1194 3.867,1195 3.836,1196 4.932,1197 3.84,1198 3.739,1199 3.788,1200 3.627,1201 3.535,1202 4.83,1203 3.549,1204 3.487,1205 3.517,1206 3.4,1207 3.383,1208 4.619,1209 3.381,1210 3.314,1211 3.362,1212 3.18,1213 3.104,1214 4.574,1215 3.109,1216 3.227,1217 3.292,1218 3.064,1219 2.979,1220 4.246,1221 2.99,1222 3.111,1223 3.206,1224 2.931,1225 2.941,1226 4.177,1227 2.91,1228 3.109,1229 3.175,1230 2.866,1231 2.905,1232 3.917,1233 2.9,1234 0.15,1235 0.119,1236 0.229,1237 0.139,1238 0.108,1239 4.656,1240 0.146,1241 3.679,1242 0.041,1243 7.112,1244 0.4,1245 4.313,1246 0.105,1247 3.335,1248 4.527,1249 1.277,1250 12.385,1251 3.265,1252 2.089,1253 2.074,1254 2.162,1255 2.152,1256 1.377,1257 2.156,1258 1.887,1259 1.87,1260 1.99,1261 2,1262 1.199,1263 1.998,1264 1.68,1265 1.626,1266 1.887,1267 1.906,1268 1.074,1269 1.901,1270 1.473,1271 1.442,1272 1.638,1273 1.612,1274 0.825,1275 1.619,1276 1.246,1277 1.197,1278 1.589,1279 1.556,1280 0.723,1281 1.563,1282 1.188,1283 1.121,1284 1.549,1285 1.469,1286 0.593,1287 1.497,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.574,1293 1.429,1294 1.109,1295 1.037,1296 1.355,1297 1.306,1298 0.524,1299 1.325,1300 4.143,1302 5.46,1304 7.004,1306 8.654,1308 10.359,1310 3.308,1314 10.912,1315 2.895,1318 16.664,1320 -0.157,1321 2.343,1326 33.202,1327 75.441,1328 171.163,1329 226.786,1330 255.315,1331 266.07,1332 274.07,1333 44.206,1334 7.409,1335 51.16,1336 51.16,1337 24,1338 12.75,1339 4.17,1340 3.248,1341 41.756,1342 82,1343 108,1344 0.238,1345 201.181,1346 349.36,1347 482.641,1348 14118,1350 19.51,1351 0.697,1352 0.579,1353 19.51,1354 16.221,1355 13.724,1356 0.443,1357 0.305,1358 9.302,1359 13.103,1360 9.049,1361 7.472,1362 13.724,1363 9.47,1364 11.735,1365 0.273,1366 0.16,1367 11.735,1368 6.878,1369 10.497,1370 0.172,1371 0.088,1372 10.497,1373 5.367,1374 9.058,1375 0.107,1376 0.047,1377 9.058,1378 3.986,1379 8.052,1380 0.069,1381 0.026,1382 8.052,1383 2.985,1384 0.352,1385 86.726,1386 0.218,1387 25.676,1388 0.73,1389 148,1390 425.001,1391 161.154,1392 398.479,1393 547.67,1394 378,1395 178,1396 394.222,1397 191.574,1398 401.525,1399 591.07,1400 376,1401 4.904}
{0 CHEMBL1362248,1 1.524,2 8,3 2.38,4 5.662,5 82.752,6 7.034,7 0.273,8 3.781,9 3.906,10 3.282,11 3.309,12 4.92,13 3.269,14 4.334,15 4.515,16 3.711,17 3.727,18 5.532,19 3.682,20 4.661,21 4.85,22 3.761,23 3.954,24 5.767,25 3.869,26 4.898,27 5.171,28 3.742,29 3.97,30 5.938,31 3.842,32 4.708,33 4.913,34 3.504,35 3.828,36 5.906,37 3.703,38 4.692,39 5.001,40 3.301,41 3.67,42 5.584,43 3.498,44 4.344,45 4.604,46 3.304,47 3.438,48 5.346,49 3.33,50 4.237,51 4.452,52 3.235,53 3.228,54 5.78,55 3.161,56 0.118,57 0.575,58 8.885,59 3.942,60 8.187,61 5.327,62 0.169,63 0.932,64 16.415,65 6.555,66 50.131,67 9.202,68 0.222,69 1.255,70 23.209,71 8.301,72 38.346,73 11.801,74 0.377,75 1.319,76 31.958,77 11.099,78 77.545,79 16.079,80 0.38,81 1.117,82 25.793,83 9.018,84 86.98,85 12.24,86 0.339,87 1.032,88 26.689,89 8.694,90 68.401,91 13.118,92 0.21,93 0.799,94 17.971,95 6.081,96 35.735,97 8.992,98 0.475,99 0.679,100 16.515,101 4.525,102 85.498,103 6.673,104 51,105 34,106 0.271,107 0.594,108 0.698,109 0.785,110 0.785,111 0.785,112 3.104,113 0.941,114 -3.87,115 -3.83,116 -3.64,120 39,121 4,122 1,131 2,136 1,137 1,143 4,144 1,145 1,157 1,167 2,174 6,176 1,177 4,182 6,185 14,189 7,194 1,197 8,201 11,204 1,206 1,209 13,214 7,219 2,222 9,227 3,232 1,235 5,239 1,240 4,243 1,245 1,247 7,251 2,252 6,255 2,260 2,264 2,271 2,274 526,275 12.834,276 12.834,277 12.834,278 12.834,279 12.834,280 11.545,281 18.713,282 7.183,283 12.923,284 10.849,285 10.849,286 10.849,287 10.849,288 10.849,289 8.822,290 31.792,291 3.406,292 10.985,293 3.834,294 2.022,295 1.44,296 0.952,297 0.952,298 0.952,299 3.747,305 1,306 1,307 1,308 340,309 3.464,313 140.844,320 1.048,321 28.018,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46,333 168,334 4.66,335 3.951,336 7.474,337 4.534,338 3.554,339 4.027,340 2.612,341 13.279,342 3.483,343 4.277,344 3.779,345 6.627,346 3.958,347 2.974,348 3.84,349 1.277,350 10.512,351 2.924,352 4.026,353 3.253,354 5.978,355 3.781,356 2.803,357 3.217,358 0.657,359 8.481,360 2.739,361 3.716,362 3.118,363 5.621,364 3.341,365 2.341,366 2.985,368 7.252,369 2.339,370 3.501,371 2.533,372 5.193,373 3.145,374 2.127,375 2.633,377 6.271,378 2.151,379 2.959,380 1.825,381 3.951,382 2.373,383 1.372,384 2.087,386 3.13,387 1.373,388 2.593,389 1.278,390 3.731,391 2,392 1,393 1.587,395 2.326,396 1,397 2.387,398 1.124,399 3.511,400 1.781,401 0.762,402 1.115,404 2.182,405 0.774,406 1,407 1,408 3.436,409 0.721,410 -0.268,411 -0.282,413 -0.882,414 -0.259,415 0.972,416 0.554,417 2.889,418 0.644,419 -0.344,420 -0.391,422 -0.995,423 -0.341,424 0.894,425 -0.117,426 2.629,427 0.457,428 -0.576,429 -0.715,431 -1.597,432 -0.598,433 0.681,434 -0.286,435 2,436 0.221,437 -0.768,438 -1,440 -2,441 -0.758,442 0.595,443 -0.508,444 2,446 -1,447 -1,449 -2.097,450 -1,451 0.307,452 -1,453 2,455 -1,456 -1.082,458 -3,459 -1,461 -1,462 2,464 -1,465 -1.583,467 -3,468 -1,469 9.8,470 0.467,471 0.98,472 0.047,473 24.5,474 1.167,475 12,476 0.571,477 12.5,478 0.595,479 19.749,480 0.94,481 23.8,482 0.58,483 17.955,484 0.855,485 4.514,486 0.215,487 5.092,488 0.242,489 0.306,490 0.102,491 0.245,496 0.381,497 1.173,498 0.816,499 1.098,500 0.521,501 1.048,502 0.441,503 1.19,504 0.636,505 0.988,506 0.359,507 0.868,508 0.918,509 1.225,510 1.241,511 1.256,512 0.688,513 1.275,514 0.692,515 0.872,516 0.748,517 0.905,518 0.718,519 0.852,520 1.363,521 1.199,522 1.358,523 1.276,524 1.422,525 1.324,526 0.664,527 0.788,528 0.734,529 0.777,530 0.685,531 0.773,532 0.571,533 1.073,534 0.755,535 1.035,536 0.629,537 0.947,538 1.012,539 1.12,540 1.165,541 1.198,542 0.891,543 1.186,544 8,546 3.111,547 2.75,548 1.769,549 0.583,550 0.551,551 0.523,552 0.169,553 0.142,554 3594,555 10567,556 1.868,557 48.8,559 5,562 1,563 2,564 12,567 1.635,568 1.658,569 2.962,570 -0.291,571 1,572 1,574 1,575 62.466,576 1.524,577 3.335,578 3.918,579 4.406,580 4.406,581 4.406,582 2.373,583 3.916,584 4.367,585 3.133,586 658.016,587 7.496,588 6850.94,589 1,590 1,592 1,593 219.66,594 1.873,595 4.237,596 0.364,598 0.092,599 0.083,600 0.055,601 0.025,602 0.028,603 0.026,604 0.011,605 0.024,606 0.707,607 0.67,608 1,609 0.947,610 93.427,611 0.207,612 0.1,613 0.039,614 0.064,615 -0.025,616 0.018,617 0.188,618 -0.057,619 0.258,620 0.11,621 0.228,622 0.182,623 -0.168,624 -0.053,625 -0.33,626 -0.227,627 -0.072,628 -0.284,629 0.08,630 0.029,631 0.211,632 0.078,633 0.074,634 0.156,635 -0.236,636 -0.228,637 -0.386,638 -0.264,639 -0.197,640 -0.345,641 0.04,642 0.063,643 0.234,644 0.165,645 0.002,646 0.225,647 0.164,648 -0.109,649 0.197,650 -0.063,651 0.044,652 0.048,653 0.327,654 -0.094,655 -0.132,656 -0.304,657 0.382,658 -0.291,659 2.433,660 5.407,661 0.571,662 13.093,663 1.003,664 1.131,665 2.644,666 6.993,667 0.64,668 3.135,669 3.555,670 3.689,671 3.97,672 4.06,673 4.094,674 3.989,675 3.989,676 4.025,677 3.97,678 4.953,679 0.608,680 288.38,681 3.135,682 4.727,683 5.557,684 6.485,685 7.334,686 8.262,687 9.12,688 10.049,689 10.911,690 11.841,691 4.9,693 1,702 1,709 4,714 2,716 6,731 1,738 41,739 10,740 1,741 22,743 42,744 16,745 6,746 2,747 4,748 3,752 2,753 2,759 4,763 1,764 2,766 1,768 9,769 7,770 2,772 4,775 1,778 3,780 1,782 2,785 1,786 1,789 20,790 4,791 1,792 5,797 2,803 1,804 3,823 2,836 1,845 1,846 1,849 1,855 2,859 4,862 21,869 1,871 1,876 2,886 7.3,889 1,892 2,893 12.667,894 8.617,895 4.347,896 2.381,898 1.956,899 1.307,900 0.89,901 3.834,902 8.33,903 3.401,904 3.998,905 4.41,906 4.884,907 5.341,908 5.55,909 5.922,910 6.136,911 6.313,912 6.44,913 1,914 33,915 7.796,917 3.358,918 8.079,919 14.541,921 11.978,924 2.579,925 54.167,929 223.651,930 99.478,931 23.681,933 75.892,936 99.478,937 299.543,938 23.681,939 40.971,940 2.535,941 65.392,942 30.278,943 9.128,945 223.651,946 50.747,947 223.651,948 123.159,949 75.892,952 82.398,953 166.398,954 50.747,956 55.846,957 52.166,958 15.146,960 223.651,961 99.573,962 99.478,965 223.651,966 16.796,967 88.352,968 18.011,969 75.892,970 223.651,971 99.573,972 99.478,973 0.614,974 0.328,975 0.172,976 0.085,977 17,978 9,979 0.048,980 2,982 1,983 3.067,984 159.672,986 12,987 86.239,993 15.556,994 5.175,995 3.438,997 93.903,998 6.318,1003 0.695,1005 18.011,1006 422.702,1007 29,1010 -0.433,1013 34.062,1015 1.748,1017 0.734,1020 41.138,1021 46.362,1022 0.284,1023 0.623,1024 0.731,1025 0.822,1026 0.822,1027 0.822,1028 4.705,1029 0.762,1030 5.68,1031 2.326,1032 4.234,1033 4.682,1034 2.793,1035 6.611,1036 4.211,1037 5.987,1038 -0.268,1039 7.335,1040 2.182,1041 4.369,1042 4.82,1043 2.361,1044 8.069,1045 4.323,1046 7.358,1047 -0.344,1048 9.105,1049 -0.882,1050 6.061,1051 6.866,1052 4.24,1053 11.055,1054 5.999,1055 8.755,1056 -0.576,1057 10.939,1058 -0.995,1059 6.868,1060 7.657,1061 4.506,1062 13.209,1063 6.779,1064 10.176,1065 -0.768,1066 12.813,1067 -1.597,1068 8.217,1069 9.317,1070 5.971,1071 15.883,1072 8.111,1073 11.612,1074 -1,1075 14.714,1076 -2,1077 9.279,1078 10.389,1079 6.556,1080 18.293,1081 9.147,1082 13.063,1083 -1,1084 16.635,1085 -2.097,1086 10.535,1087 11.9,1088 7.8,1089 20.888,1090 10.384,1091 3.554,1092 -1,1093 18.57,1094 -3,1095 11.701,1096 13.111,1097 8.548,1098 23.397,1099 11.526,1100 2.974,1101 13.279,1102 20.517,1103 -3,1104 12.938,1105 14.554,1106 9.671,1107 25.975,1108 12.742,1109 2.803,1110 10.512,1111 22.473,1112 4.027,1113 14.15,1114 15.838,1115 10.509,1116 28.525,1117 13.932,1118 2.341,1119 8.481,1120 24.438,1121 3.84,1122 15.389,1123 17.249,1124 11.564,1125 31.101,1126 15.151,1127 2.127,1128 7.252,1129 26.409,1130 3.217,1131 16.624,1132 18.574,1133 12.452,1134 33.669,1135 16.364,1136 1.372,1137 6.271,1138 28.387,1139 2.985,1140 17.87,1141 19.969,1142 13.468,1143 36.247,1144 17.589,1145 1,1146 3.13,1147 30.369,1148 2.633,1149 19.117,1150 21.317,1151 14.386,1152 38.823,1153 18.815,1154 3765,1155 6605,1156 13.118,1157 26.228,1158 35.147,1159 36.684,1160 35.407,1161 33.898,1162 33.864,1163 42.981,1164 9.094,1165 106.865,1166 33.565,1167 5.66,1168 5.951,1169 7.021,1170 5.573,1171 5.554,1172 7.027,1173 4.612,1174 21.467,1175 5.483,1176 14.41,1177 1.598,1178 1.667,1179 1.609,1180 1.541,1181 1.539,1182 1.954,1183 0.413,1184 4.857,1185 1.526,1186 4.037,1187 4.065,1188 3.99,1189 3.938,1190 7.815,1191 3.942,1192 3.894,1193 3.933,1194 3.832,1195 3.752,1196 7.427,1197 3.76,1198 3.546,1199 3.594,1200 3.48,1201 3.394,1202 6.999,1203 3.38,1204 3.453,1205 3.5,1206 3.315,1207 3.156,1208 4.731,1209 3.187,1210 3.286,1211 3.325,1212 3.175,1213 3.005,1214 4.489,1215 3.068,1216 2.965,1217 3.026,1218 2.821,1219 2.811,1220 4.111,1221 2.806,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.874,1227 2.57,1228 2.874,1229 3.009,1230 2.499,1231 2.618,1232 3.576,1233 2.57,1234 0.212,1235 0.18,1236 0.34,1237 0.206,1238 0.162,1239 4.66,1240 0.183,1241 3.951,1242 0.119,1243 7.474,1244 0.604,1245 4.534,1246 0.158,1247 3.554,1248 4.027,1249 2.612,1250 13.279,1251 3.483,1252 1.977,1253 1.952,1254 2.09,1255 2.108,1256 1.329,1257 2.096,1258 1.844,1259 1.806,1260 1.988,1261 2.024,1262 1.114,1263 2.004,1264 1.536,1265 1.475,1266 1.81,1267 1.723,1268 1,1269 1.747,1270 1.301,1271 1.254,1272 1.514,1273 1.647,1274 0.618,1275 1.577,1276 1.163,1277 1.128,1278 1.417,1279 1.462,1280 0.469,1281 1.453,1282 0.967,1283 0.907,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.307,1291 1.239,1292 0.414,1293 1.308,1294 0.934,1295 0.804,1296 1.247,1297 1.164,1298 0.213,1299 1.201,1300 3.807,1302 5.198,1304 6.765,1306 8.421,1308 10.127,1310 7.9,1315 0.414,1317 3.447,1322 -0.718,1326 24.928,1327 62.466,1328 136.747,1329 160.64,1330 180.64,1331 180.64,1332 180.64,1333 57.213,1334 6.373,1335 74.92,1336 74.92,1337 12,1338 12.356,1339 3.459,1340 3,1341 39.171,1342 62,1343 56,1344 0.321,1345 157.474,1346 282.27,1347 375.997,1348 3906,1350 15.836,1351 0.754,1352 0.608,1353 15.836,1354 12.766,1355 9.606,1356 0.437,1357 0.314,1358 6.824,1359 9.222,1360 6.443,1361 5.449,1362 9.606,1363 6.899,1364 10.39,1365 0.306,1366 0.195,1367 10.39,1368 6.644,1369 6.853,1370 0.176,1371 0.093,1372 6.853,1373 3.619,1374 6.283,1375 0.121,1376 0.057,1377 6.283,1378 2.958,1379 4.03,1380 0.071,1381 0.028,1382 4.03,1383 1.583,1384 0.487,1385 60.464,1386 0.276,1387 20.375,1388 0.93,1389 112,1390 339.185,1391 123,1392 328.091,1393 428.07,1394 298,1395 129,1396 311.255,1397 138.977,1398 314.744,1399 446.88,1400 290,1401 4.731}
{0 CHEMBL1362814,1 1.713,2 10.25,3 3.536,4 12.506,5 92.7,6 8.154,7 0.615,8 3.841,9 3.95,10 3.534,11 3.42,12 4.984,13 3.379,14 4.341,15 4.506,16 3.88,17 3.762,18 5.451,19 3.696,20 4.515,21 4.717,22 3.918,23 3.805,24 5.602,25 3.724,26 4.454,27 4.666,28 3.863,29 3.783,30 5.537,31 3.674,32 4.353,33 4.514,34 3.8,35 3.747,36 5.552,37 3.641,38 4.403,39 4.59,40 3.683,41 3.739,42 5.434,43 3.608,44 4.429,45 4.642,46 3.54,47 3.643,48 5.558,49 3.523,50 4.399,51 4.652,52 3.353,53 3.507,54 5.417,55 3.392,56 0.082,57 0.638,58 8.093,59 3.906,60 7.214,61 4.714,62 0.19,63 1.017,64 17.842,65 6.832,66 19.395,67 8.375,68 0.415,69 1.138,70 22.79,71 7.174,72 39.512,73 8.689,74 0.303,75 1.11,76 22.809,77 7.357,78 32.341,79 8.938,80 0.394,81 1.024,82 20.745,83 6.784,84 38.28,85 7.578,86 0.198,87 0.998,88 22.242,89 8.105,90 19.878,91 9.425,92 0.299,93 0.973,94 21.416,95 7.75,96 43.267,97 9.564,98 0.331,99 0.907,100 22.29,101 7.016,102 40.742,103 9.078,104 12,105 35,106 0.299,107 0.658,108 0.82,109 0.869,110 0.877,111 0.877,112 3.228,113 1.01,114 -4.12,115 -4.06,116 -3.84,120 40.5,121 2,122 2,126 1,143 5,144 1,147 1,148 2,150 1,153 1,159 1,167 1,174 6,176 1,177 9,180 2,182 1,185 7,189 7,192 1,194 1,197 3,200 1,201 7,206 1,209 5,213 2,214 3,217 1,219 1,222 7,227 3,232 1,235 6,239 2,240 5,243 1,245 3,247 5,251 1,252 4,257 2,260 2,263 1,264 7,269 1,271 4,274 870,275 16.317,276 16.317,277 16.317,278 16.317,279 16.317,280 14.257,281 14.994,282 9.908,283 16.675,284 12.847,285 12.847,286 12.847,287 12.847,288 12.847,289 9.677,290 16.594,291 4.685,292 13.445,293 3.68,294 1.625,295 0.693,296 0.417,297 0.369,298 0.369,299 3.91,305 1,306 1,307 1,308 524,309 3.317,312 68.379,313 126.542,317 108.244,320 1.417,321 21.549,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52,333 246,334 4.534,335 4.481,336 6.537,337 4.031,338 3.081,339 4.472,340 3.359,341 10.345,342 2.932,343 4.111,344 3.6,345 5.62,346 3.706,347 2.739,348 3.72,349 1.737,350 7.788,351 2.647,352 3.654,353 2.968,354 5.293,355 3.298,356 2.32,357 3.068,358 0.146,359 6.767,360 2.268,361 3.638,362 2.774,363 5.242,364 3.251,365 2.291,366 2.915,368 6.423,369 2.192,370 3.459,371 2.519,372 4.995,373 2.981,374 2.062,375 2.772,377 5.932,378 1.87,379 3.03,380 2.375,381 4.484,382 2.652,383 1.682,384 2.176,386 4.57,387 1.623,388 2.905,389 2.035,390 3.924,391 2.424,392 1.435,393 2.097,395 3.199,396 1.418,397 2.536,398 1.456,399 3.603,400 2.134,401 1.167,402 1.544,404 2.787,405 1.12,406 2.208,407 1.316,408 3.276,409 1.954,410 1.002,411 1.11,413 1.808,414 0.94,415 2.136,416 1.062,417 3.177,418 1.722,419 0.734,420 1.068,422 1.723,423 0.724,424 1.774,425 0.814,426 3.072,427 1.366,428 0.5,429 0.606,431 1.185,432 0.421,433 1.18,434 0.488,435 2.7,436 0.817,437 -0.141,438 -0.175,440 -0.294,441 -0.134,442 1.022,443 0.371,444 2.41,445 0.669,446 -0.309,447 -0.364,449 -0.78,450 -0.295,451 0.933,452 -0.026,453 2.226,454 0.447,455 -0.509,456 -0.666,458 -1.18,459 -0.475,460 0.557,461 -0.174,462 2,463 0.275,464 -0.7,465 -0.943,467 -1.605,468 -0.678,469 11.6,470 0.483,471 0.52,472 0.022,473 32,474 1.333,475 16.5,476 0.688,477 15.5,478 0.646,479 18.853,480 0.786,481 25.6,482 0.61,483 20.946,484 0.873,485 5.981,486 0.249,487 5.671,488 0.236,489 0.115,491 0.302,496 0.658,497 1.208,498 0.72,499 0.956,500 0.58,501 0.921,502 0.608,503 1.231,504 0.906,505 1.153,506 0.54,507 0.975,508 1.3,509 0.987,510 0.943,511 0.827,512 1.305,513 0.835,514 0.936,515 1.025,516 1.108,517 0.991,518 0.808,519 0.889,520 1.046,521 1.018,522 1.535,523 1.284,524 1.206,525 1.14,526 0.898,527 1.223,528 1.326,529 1.42,530 0.929,531 1.24,532 0.924,533 1.09,534 1.099,535 1.196,536 1.477,537 1.163,538 1.039,539 0.949,540 0.996,541 0.95,542 1.371,543 0.928,544 5,545 0.109,546 2,547 1.694,548 1.107,549 0.625,550 0.462,551 0.243,552 0.233,553 0.1,554 6469,555 18316,556 2.064,557 42.9,558 5,559 7,562 1,563 5,567 1.669,568 1.946,569 3.326,570 -0.26,572 1,574 1,575 71.932,576 1.713,577 3.768,578 4.699,579 4.975,580 5.023,581 5.023,582 2.689,583 4.418,584 4.556,585 3.475,586 959.143,587 7.865,588 11537.6,589 1,590 1,592 1,593 226.477,594 1.347,595 4.522,596 0.192,597 0.007,598 0.057,599 0.051,600 0.036,601 0.022,602 0.018,603 0.01,604 0.011,605 0.005,606 0.409,607 0.33,608 1,609 0.948,610 114.871,611 0.085,612 -0.078,613 0.07,614 0.017,615 -0.003,616 0.006,617 0.193,618 -0.159,619 0.098,620 -0.1,621 0.137,622 -0.003,623 -0.145,624 0.054,625 0.083,626 0.156,627 -0.175,628 0.098,629 -0.051,630 0.057,631 0.056,632 0.098,633 0.051,634 0.084,635 0.015,636 0.142,637 -0.281,638 -0.112,639 0.005,640 -0.2,641 -0.053,642 -0.217,643 -0.169,644 -0.267,645 0.005,646 -0.219,647 0.068,648 -0.152,649 -0.115,650 -0.198,651 0.023,652 -0.17,653 -0.023,654 -0.042,655 -0.022,656 -0.008,657 -0.082,658 0.067,659 1.812,660 5.085,661 0.625,662 20.292,663 1.008,664 1.125,665 2.888,666 8.339,667 0.688,668 3.296,669 3.584,670 3.807,671 4.078,672 4.234,673 4.263,674 4.344,675 4.331,676 4.382,677 4.29,678 6.113,679 0.652,680 342.46,681 3.296,682 4.812,683 5.638,684 6.503,685 7.349,686 8.22,687 9.075,688 9.948,689 10.807,690 11.681,691 9.5,698 1,701 3,708 2,709 5,710 3,712 1,714 4,716 16,738 42,739 17,740 1,741 26,743 44,744 17,745 11,746 2,747 4,752 3,753 4,759 2,766 2,768 12,769 5,772 1,778 1,782 1,785 1,786 1,789 18,790 6,791 1,792 7,793 1,796 1,797 4,803 0.667,804 2,817 1,822 1,823 2,827 1,838 1,855 2,856 1,857 1,859 2,862 24,869 3,871 1,873 1,886 4.8,889 1,891 1,893 12.333,894 8.267,895 5.389,896 2.658,898 2.996,899 1.432,900 0.971,901 5.363,902 9.928,903 3.584,904 4.186,905 4.753,906 5.366,907 5.836,908 6.091,909 6.44,910 6.698,911 7.015,912 6.84,913 0.857,914 33,915 8.844,917 3.661,918 7.75,919 16.837,921 13.354,924 2.25,925 54,928 1,929 200.109,930 123.868,931 71.178,933 34.879,935 32.22,936 91.649,937 234.988,938 71.178,939 17.65,940 23.98,941 47.381,942 83.017,943 16.779,944 8.899,945 232.328,947 200.109,948 162.827,949 34.879,950 32.22,952 202.437,953 34.879,956 43.774,957 63.557,958 53.168,959 32.22,960 200.109,961 106.057,962 123.868,965 200.109,966 58.837,967 65.032,968 18.011,969 88.047,970 200.109,971 106.057,972 123.868,973 0.567,974 0.321,975 0.184,976 0.099,977 16,978 7,979 0.136,980 6,981 1,982 1.133,983 3.674,984 186.91,985 0.133,986 15,987 110.039,989 1,993 16.781,994 7.67,995 4.279,996 1.874,997 106.057,998 9.541,999 12.945,1001 4.936,1003 2.725,1005 18.011,1006 430.034,1007 35,1013 12.085,1017 -0.145,1020 42.323,1021 47.238,1022 0.318,1023 0.699,1024 0.871,1025 0.923,1026 0.932,1027 0.932,1028 4.787,1029 1.167,1030 5.602,1031 3.199,1032 4.263,1033 4.871,1034 3.349,1035 6.365,1036 4.173,1037 5.989,1038 1.002,1039 7.124,1040 2.787,1041 3.761,1042 4.677,1043 1.593,1044 7.14,1045 3.648,1046 7.288,1047 0.734,1048 8.742,1049 1.808,1050 5.802,1051 7.098,1052 5.572,1053 10.232,1054 5.622,1055 8.623,1056 0.5,1057 10.418,1058 1.723,1059 6.111,1060 7.752,1061 3.522,1062 11.863,1063 5.901,1064 9.99,1065 -0.141,1066 12.132,1067 1.185,1068 7.608,1069 9.634,1070 7.946,1071 14.461,1072 7.341,1073 11.38,1074 -0.309,1075 13.874,1076 -0.294,1077 8.316,1078 10.708,1079 5.91,1080 16.481,1081 8.011,1082 12.788,1083 -0.509,1084 15.638,1085 -0.78,1086 9.58,1087 12.361,1088 10.351,1089 18.907,1090 9.224,1091 3.081,1092 -0.7,1093 17.419,1094 -1.18,1095 10.49,1096 13.65,1097 8.482,1098 21.104,1099 10.089,1100 2.739,1101 10.345,1102 19.215,1103 -1.605,1104 11.656,1105 15.205,1106 12.763,1107 23.471,1108 11.205,1109 2.32,1110 7.788,1111 21.023,1112 4.472,1113 12.667,1114 16.599,1115 11.074,1116 25.745,1117 12.168,1118 2.291,1119 6.767,1120 22.842,1121 3.72,1122 13.794,1123 18.114,1124 15.176,1125 28.091,1126 13.245,1127 2.062,1128 6.423,1129 24.67,1130 3.068,1131 14.856,1132 19.559,1133 13.65,1134 30.399,1135 14.256,1136 1.682,1137 5.932,1138 26.505,1139 2.915,1140 15.969,1141 21.059,1142 17.59,1143 32.738,1144 15.32,1145 1.435,1146 4.57,1147 28.347,1148 2.772,1149 17.057,1150 22.529,1151 16.206,1152 35.061,1153 16.356,1154 6310,1155 10802,1156 17.394,1157 28.909,1158 38.351,1159 41.494,1160 39.227,1161 37.97,1162 38.026,1163 51.096,1164 10.487,1165 105.056,1166 36.312,1167 5.437,1168 6.481,1169 6.303,1170 5.165,1171 5.081,1172 7.472,1173 6.685,1174 17.295,1175 4.932,1176 10.968,1177 1.475,1178 1.596,1179 1.509,1180 1.46,1181 1.463,1182 1.965,1183 0.403,1184 4.041,1185 1.397,1186 4.06,1187 4.089,1188 4.121,1189 3.989,1190 7.429,1191 3.986,1192 3.892,1193 3.919,1194 3.858,1195 3.68,1196 5.221,1197 3.714,1198 3.629,1199 3.695,1200 3.695,1201 3.505,1202 5.03,1203 3.49,1204 3.523,1205 3.548,1206 3.483,1207 3.416,1208 4.463,1209 3.366,1210 3.305,1211 3.373,1212 3.237,1213 3.127,1214 4.075,1215 3.136,1216 3.056,1217 3.145,1218 3.054,1219 2.904,1220 4.01,1221 2.887,1222 2.969,1223 3.032,1224 2.793,1225 2.793,1226 3.948,1227 2.777,1228 2.817,1229 2.908,1230 2.68,1231 2.659,1232 3.793,1233 2.635,1234 0.174,1235 0.172,1236 0.251,1237 0.155,1238 0.119,1239 4.534,1240 0.172,1241 4.481,1242 0.129,1243 6.537,1244 0.398,1245 4.031,1246 0.113,1247 3.081,1248 4.472,1249 3.359,1250 10.345,1251 2.932,1252 2.011,1253 1.987,1254 2.077,1255 2.105,1256 1.232,1257 2.103,1258 1.645,1259 1.582,1260 1.911,1261 1.811,1262 1.126,1263 1.848,1264 1.6,1265 1.562,1266 1.774,1267 1.79,1268 0.874,1269 1.779,1270 1.455,1271 1.424,1272 1.61,1273 1.701,1274 0.811,1275 1.684,1276 1.283,1277 1.225,1278 1.483,1279 1.488,1280 0.573,1281 1.497,1282 1.131,1283 1.076,1284 1.332,1285 1.384,1286 0.424,1287 1.374,1288 0.968,1289 0.917,1290 1.212,1291 1.14,1292 0.338,1293 1.172,1294 0.847,1295 0.765,1296 1.156,1297 1.067,1298 0.208,1299 1.105,1300 3.97,1302 5.263,1303 2.398,1304 6.739,1305 4.595,1306 8.31,1307 6.529,1308 9.938,1310 3.873,1315 2.051,1317 2.713,1319 1.403,1326 27.39,1327 71.932,1328 158.239,1329 197.358,1330 208.968,1331 210.968,1332 210.968,1333 38.018,1334 6.932,1335 80.91,1336 106.21,1337 17,1338 12.224,1339 4.17,1340 3.322,1341 39.279,1342 86,1343 90,1344 0.218,1345 174.541,1346 291.85,1347 417.641,1348 9207,1350 16.941,1351 0.706,1352 0.6,1353 17.295,1354 14.391,1355 11.652,1356 0.448,1357 0.337,1358 7.757,1359 10.748,1360 7.43,1361 6.228,1362 12.106,1363 8.756,1364 10.297,1365 0.294,1366 0.181,1367 10.848,1368 6.336,1369 8.112,1370 0.184,1371 0.098,1372 8.862,1373 4.315,1374 6.977,1375 0.12,1376 0.054,1377 7.724,1378 3.115,1379 5.324,1380 0.078,1381 0.031,1382 6.092,1383 2.111,1384 0.342,1385 77.619,1386 0.24,1387 23.58,1388 0.594,1389 122,1390 389.6,1391 158.589,1392 395.017,1393 540.06,1394 370,1395 140,1396 392.604,1397 174.074,1398 403.492,1399 584.68,1400 379,1401 4.5}
{0 CHEMBL1363346,1 1.753,2 11.222,3 3.038,4 9.231,5 96.128,6 9.084,7 0.7,8 3.852,9 3.947,10 3.581,11 3.372,12 5.159,13 3.409,14 4.317,15 4.436,16 3.955,17 3.735,18 5.742,19 3.773,20 4.482,21 4.638,22 3.945,23 3.773,24 5.806,25 3.793,26 4.526,27 4.693,28 3.918,29 3.68,30 5.94,31 3.711,32 4.35,33 4.499,34 3.757,35 3.568,36 5.953,37 3.596,38 4.307,39 4.457,40 3.573,41 3.566,42 5.652,43 3.551,44 4.233,45 4.423,46 3.505,47 3.499,48 5.433,49 3.466,50 4.201,51 4.4,52 3.364,53 3.323,54 5.537,55 3.286,56 0.221,57 0.64,58 5.052,59 3.075,60 8.173,61 3.166,62 0.433,63 0.972,64 9.802,65 4.887,66 47.034,67 5.196,68 0.513,69 1.096,70 13.61,71 5.944,72 41.541,73 6.368,74 0.775,75 1.05,76 16.717,77 6.055,78 59.194,79 6.566,80 0.716,81 0.876,82 13.475,83 5.011,84 94.125,85 5.004,86 0.611,87 0.846,88 12.736,89 5.159,90 88.152,91 4.762,92 0.353,93 0.825,94 11.929,95 5.05,96 23.042,97 6.016,98 0.521,99 0.722,100 13.445,101 5.01,102 52.257,103 6.013,104 18,105 43,106 0.301,107 0.651,108 0.757,109 0.842,110 0.851,111 0.851,112 3.34,113 0.796,114 -3.78,115 -3.74,116 -3.56,120 45,125 1,143 8,144 1,145 2,147 2,152 1,153 1,159 1,162 1,167 3,174 7,176 2,177 4,180 1,182 2,185 6,188 3,189 8,192 1,194 2,197 3,200 6,201 8,204 2,206 1,209 2,213 2,214 4,217 2,222 6,227 7,230 2,235 8,240 9,247 4,251 2,252 6,257 2,263 2,264 2,269 2,274 1051,275 18.102,276 18.102,277 18.102,278 18.102,279 18.102,280 15.261,281 15.635,282 10.531,283 18.322,284 14.821,285 14.821,286 14.821,287 14.821,288 14.821,289 10.503,290 21.78,291 5.018,292 15.178,293 3.569,294 1.532,295 0.919,296 0.419,297 0.369,298 0.369,299 4.034,305 1,306 1,307 1,308 663,309 3.317,312 144.953,313 170.026,316 121.749,320 1.918,321 35.842,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 60.5,333 303,334 4.527,335 3.837,336 6.646,337 4.101,338 3.129,339 4.438,340 2.612,341 10.607,342 3.037,343 4.507,344 3.532,345 6.372,346 4.038,347 3.059,348 4.258,349 1.058,350 9.883,351 2.994,352 4.08,353 3.06,354 5.909,355 3.65,356 2.665,357 3.709,359 8.263,360 2.626,361 3.81,362 2.683,363 5.57,364 3.394,365 2.416,366 3.232,368 7.332,369 2.355,370 3.65,371 2.597,372 5.206,373 3.1,374 2.134,375 3.064,377 6.124,378 2.07,379 3.447,380 2.337,381 4.93,382 3.026,383 2.052,384 2.74,386 5.664,387 1.978,388 3.032,389 1.788,390 4.414,391 2.528,392 1.532,393 2.298,395 4.312,396 1.525,397 3.016,398 1.547,399 4.308,400 2.506,401 1.532,402 2.26,404 3.948,405 1.49,406 2.713,407 1.532,408 3.962,409 2.189,410 1.209,411 1.757,413 2.916,414 1.181,415 2.619,416 1.204,417 3.591,418 2.047,419 1.049,420 1.598,422 2.727,423 1.041,424 2.5,425 1.062,426 3.528,427 2,428 1,429 1.5,431 2.275,432 1,433 2.27,434 1,435 3.414,436 1.697,437 0.729,438 1.099,440 1.993,441 0.702,442 1.847,443 1,444 3,445 1.321,446 0.347,447 0.521,449 0.86,450 0.338,451 1.303,452 0.497,453 2.78,454 0.918,455 -0.074,456 -0.097,458 -0.185,459 -0.073,460 1,461 0.347,462 2.429,463 0.298,464 -0.697,465 -0.853,467 -1.771,468 -0.674,469 12.333,470 0.457,471 0.75,472 0.028,473 41.25,474 1.528,475 23,476 0.852,477 18.25,478 0.676,479 15.984,480 0.592,481 27.867,482 0.697,483 31.459,484 1.165,485 8.39,486 0.311,487 4.618,488 0.171,489 0.122,491 0.389,496 0.548,497 1.138,498 0.59,499 0.951,500 0.526,501 0.823,502 0.668,503 1.216,504 0.674,505 0.997,506 0.442,507 0.865,508 0.898,509 1.057,510 0.931,511 1.09,512 0.725,513 1.029,514 1.05,515 0.895,516 0.992,517 0.953,518 1.034,519 0.961,520 1.133,521 0.865,522 1.072,523 0.86,524 0.985,525 0.917,526 1.418,527 0.848,528 1.393,529 0.909,530 1.805,531 1.105,532 0.753,533 1.139,534 1.025,535 1.188,536 0.576,537 1.18,538 0.883,539 1.037,540 1.08,541 1.139,542 1.017,543 1.171,544 6,545 0.159,546 3.111,547 2.014,548 1.989,549 0.656,550 0.408,551 0.393,552 0.207,553 0.181,554 9760,555 33061,556 2.097,557 32.5,559 11,560 1,562 1,567 1.695,568 1.952,569 3.455,570 -0.236,571 1,572 1,575 70.103,576 1.753,577 3.79,578 4.403,579 4.903,580 4.953,581 4.953,582 2.904,583 4.134,584 4.729,585 3.669,586 1287.94,587 8.178,588 16993.1,589 1,590 1,591 1,592 1,593 212.877,594 1.447,595 4.681,596 0.2,597 0.008,598 0.072,599 0.049,600 0.052,601 0.02,602 0.015,603 0.015,604 0.01,605 0.01,606 0.452,607 0.33,608 1,609 0.76,610 135.502,611 0.118,612 -0.005,613 0.058,614 -0.005,615 -0.04,616 -0.005,617 0.106,618 -0.138,619 0.087,620 -0.045,621 0.175,622 0.004,623 -0.049,624 -0.023,625 -0.046,626 -0.137,627 -0.022,628 -0.1,629 0.06,630 0.085,631 0.018,632 -0.004,633 -0.013,634 -0.014,635 0.004,636 0.115,637 -0.107,638 0.1,639 0.241,640 0.007,641 -0.337,642 0.11,643 -0.45,644 0.079,645 -0.44,646 -0.16,647 -0.056,648 -0.169,649 -0.06,650 -0.184,651 0.021,652 -0.129,653 0.071,654 -0.151,655 0.02,656 -0.116,657 0.024,658 -0.078,659 2.641,660 5.303,661 0.741,662 25.251,663 1.034,664 1.125,665 2.551,666 6.509,667 0.697,668 3.434,669 3.784,670 4.06,671 4.344,672 4.522,673 4.522,674 4.595,675 4.745,676 4.779,677 4.905,678 6.942,679 0.702,680 363.36,681 3.434,682 4.99,683 5.849,684 6.739,685 7.616,686 8.506,687 9.389,688 10.278,689 11.164,690 12.052,691 12.5,698 1,699 1,701 2,702 1,708 2,709 9,710 2,712 1,714 5,715 1,716 21,723 1,731 1,738 40,739 24,740 2,741 30,743 43,744 18,745 16,746 4,747 8,748 1,752 4,753 5,768 17,769 1,772 3,775 1,778 3,782 1,785 1,786 1,789 13,790 7,791 1,792 9,797 5,803 0.75,804 4,808 1,814 1,822 2,823 2,826 1,855 3,859 1,862 27,871 1,886 10,889 1,891 1,892 2,893 13.833,894 7.717,895 5.806,896 2.212,898 4.161,899 1.548,900 1.009,901 4.28,902 11.76,903 3.795,904 4.466,905 5.075,906 5.705,907 6.195,908 6.475,909 6.842,910 7.331,911 7.587,912 7.991,913 1,914 41,915 9.944,917 4.366,918 8.105,919 18.138,921 14.667,924 2.605,925 70.333,928 1,929 141.253,930 121.415,931 58.906,933 85.399,936 121.415,937 226.652,938 58.906,939 14.066,940 18.011,941 84.857,942 68.318,943 24.884,944 16.607,945 129.482,946 50.747,947 141.253,948 180.32,949 85.399,952 141.253,953 34.652,954 50.747,956 29.708,957 111.494,958 39.119,960 141.253,961 144.305,962 121.415,965 141.253,966 28.161,967 100.7,968 18.011,969 118.848,970 141.253,971 144.305,972 121.415,973 0.59,974 0.345,975 0.191,976 0.106,977 22,978 10,979 0.093,980 4,981 1,982 1.1,983 3.942,984 230.737,985 0.1,986 20,987 122.382,993 17.095,994 6.76,995 3.36,996 1.444,997 136.858,998 15.438,999 8.269,1001 5.703,1003 1.089,1004 1.226,1005 18.011,1006 406.973,1007 43.5,1010 -0.641,1013 34.347,1017 -0.656,1020 41.353,1021 44.99,1022 0.329,1023 0.712,1024 0.827,1025 0.921,1026 0.931,1027 0.931,1028 5.026,1029 1.532,1030 5.849,1031 4.312,1032 4.466,1033 5.153,1034 2.67,1035 6.673,1036 4.419,1037 6.269,1038 1.209,1039 7.418,1040 3.948,1041 4.111,1042 5.066,1043 2.361,1044 7.576,1045 4.038,1046 7.597,1047 1.049,1048 9.082,1049 2.916,1050 6.075,1051 7.437,1052 4.193,1053 10.674,1054 5.978,1055 8.961,1056 1,1057 10.803,1058 2.727,1059 6.524,1060 8.17,1061 4.506,1062 12.406,1063 6.399,1064 10.354,1065 0.729,1066 12.559,1067 2.275,1068 7.975,1069 10.01,1070 5.955,1071 15.01,1072 7.829,1073 11.769,1074 0.347,1075 14.341,1076 1.993,1077 8.786,1078 11.125,1079 6.556,1080 17.085,1081 8.61,1082 13.201,1083 -0.074,1084 16.141,1085 0.86,1086 10.035,1087 12.749,1088 7.796,1089 19.517,1090 9.838,1091 3.129,1092 -0.697,1093 17.955,1094 -0.185,1095 11.014,1096 14.048,1097 8.548,1098 21.74,1099 10.788,1100 3.059,1101 10.607,1102 19.779,1103 -1.771,1104 12.183,1105 15.581,1106 9.67,1107 24.11,1108 11.933,1109 2.665,1110 9.883,1111 21.613,1112 4.438,1113 13.24,1114 16.969,1115 10.509,1116 26.398,1117 12.962,1118 2.416,1119 8.263,1120 23.453,1121 4.258,1122 14.379,1123 18.464,1124 11.563,1125 28.746,1126 14.075,1127 2.134,1128 7.332,1129 25.299,1130 3.709,1131 15.473,1132 19.895,1133 12.452,1134 31.064,1135 15.14,1136 2.052,1137 6.124,1138 27.151,1139 3.232,1140 16.601,1141 21.376,1142 13.468,1143 33.407,1144 16.242,1145 1.532,1146 5.664,1147 29.006,1148 3.064,1149 17.712,1150 22.828,1151 14.386,1152 35.738,1153 17.325,1154 9194,1155 17105,1156 19.997,1157 27.892,1158 46.337,1159 48.048,1160 47.164,1161 45.713,1162 45.707,1163 64.948,1164 7.342,1165 133.809,1166 44.672,1167 5.368,1168 5.837,1169 6.328,1170 5.144,1171 5.129,1172 7.438,1173 4.612,1174 17.567,1175 5.037,1176 13.522,1177 1.545,1178 1.602,1179 1.572,1180 1.524,1181 1.524,1182 2.165,1183 0.245,1184 4.46,1185 1.489,1186 4.106,1187 4.126,1188 4.079,1189 3.981,1190 7.815,1191 3.999,1192 4.022,1193 4.063,1194 4.003,1195 3.817,1196 7.429,1197 3.844,1198 3.851,1199 3.882,1200 3.794,1201 3.75,1202 6.999,1203 3.767,1204 3.48,1205 3.524,1206 3.458,1207 3.176,1208 5.22,1209 3.208,1210 3.381,1211 3.422,1212 3.314,1213 3.015,1214 4.872,1215 3.069,1216 3.233,1217 3.264,1218 3.16,1219 2.935,1220 4.703,1221 3.025,1222 2.894,1223 2.949,1224 2.776,1225 2.759,1226 4.381,1227 2.754,1228 2.86,1229 2.946,1230 2.699,1231 2.735,1232 3.96,1233 2.715,1234 0.151,1235 0.128,1236 0.222,1237 0.137,1238 0.104,1239 4.527,1240 0.148,1241 3.837,1242 0.087,1243 6.646,1244 0.354,1245 4.101,1246 0.101,1247 3.129,1248 4.438,1249 2.612,1250 10.607,1251 3.037,1252 1.908,1253 1.883,1254 2.003,1255 2.018,1256 1.098,1257 2.008,1258 1.892,1259 1.871,1260 1.992,1261 1.988,1262 1.067,1263 1.989,1264 1.64,1265 1.616,1266 1.754,1267 1.957,1268 0.816,1269 1.869,1270 1.483,1271 1.404,1272 1.623,1273 1.8,1274 0.648,1275 1.76,1276 1.244,1277 1.215,1278 1.34,1279 1.568,1280 0.356,1281 1.493,1282 1.045,1283 1.012,1284 1.206,1285 1.391,1286 0.218,1287 1.326,1288 0.901,1289 0.868,1290 1.181,1291 1.092,1292 0.2,1293 1.107,1294 0.886,1295 0.821,1296 1.063,1297 1.062,1298 0.137,1299 1.084,1300 4.111,1302 5.451,1303 3.045,1304 6.969,1305 5.416,1306 8.566,1307 7.526,1308 10.205,1310 1.513,1317 2.602,1326 28.073,1327 70.103,1328 151.593,1329 176.122,1330 196.122,1331 198.122,1332 198.122,1333 48.732,1334 7.599,1335 118.77,1336 118.77,1337 22,1338 12.583,1339 4.644,1340 3.858,1341 40.5,1342 115,1343 90,1344 0.173,1345 171.614,1346 288.04,1347 410.498,1348 21674,1350 18.966,1351 0.702,1352 0.523,1353 18.966,1354 14.118,1355 13.008,1356 0.434,1357 0.265,1358 7.803,1359 12.288,1360 7.663,1361 6.36,1362 13.008,1363 7.965,1364 12.178,1365 0.283,1366 0.135,1367 12.178,1368 5.812,1369 10.027,1370 0.176,1371 0.069,1372 10.027,1373 3.905,1374 8.556,1375 0.113,1376 0.035,1377 8.556,1378 2.653,1379 6.963,1380 0.077,1381 0.019,1382 6.963,1383 1.711,1384 0.278,1385 83.262,1386 0.224,1387 26.219,1388 0.46,1389 146,1390 533.855,1391 166.619,1392 508.505,1393 686.75,1394 470,1395 173,1396 519.806,1397 194.927,1398 514.805,1399 749.39,1400 482,1401 5.18}
{0 CHEMBL1363438,1 1.323,2 7.95,3 3.779,4 14.283,5 80.957,6 6.121,7 0.286,8 3.85,9 3.983,10 3.243,11 3.359,12 4.786,13 3.296,14 4.451,15 4.66,16 3.593,17 3.758,18 5.345,19 3.669,20 4.74,21 4.97,22 3.575,23 3.901,24 5.602,25 3.756,26 4.911,27 5.209,28 3.514,29 3.809,30 5.712,31 3.659,32 4.675,33 4.927,34 3.596,35 3.749,36 5.649,37 3.665,38 4.669,39 4.859,40 3.517,41 3.914,42 5.659,43 3.778,44 4.884,45 5.177,46 3.296,47 3.948,48 5.634,49 3.713,50 4.737,51 5.084,52 2.886,53 3.666,54 5.373,55 3.388,56 0.041,57 0.602,58 11,59 4.605,60 6.99,61 6.462,62 0.258,63 0.983,64 20.172,65 7.33,66 24.884,67 10.688,68 0.248,69 1.204,70 26.617,71 9.722,72 29.913,73 14.017,74 0.402,75 1.198,76 31.304,77 9.885,78 47.129,79 14.504,80 0.397,81 1.05,82 25.49,83 7.815,84 44.993,85 11.453,86 0.293,87 1.14,88 25.149,89 9.468,90 42.411,91 13.145,92 0.219,93 1.319,94 29.406,95 11.333,96 34.985,97 16.661,98 0.222,99 1.045,100 24.791,101 9.221,102 35.332,103 13.838,104 18,105 29,106 0.234,107 0.496,108 0.661,109 0.713,110 0.724,111 0.724,112 3.057,113 1.064,114 -4.51,115 -4.44,116 -4.18,120 37.8,121 3,122 2,124 1,126 3,128 1,143 5,144 1,159 1,174 10,176 1,177 5,185 9,188 1,189 8,197 3,201 8,209 1,213 1,214 8,222 7,227 2,235 14,240 4,247 9,252 1,260 7,271 4,274 532,275 12.955,276 12.955,277 12.955,278 12.955,279 12.955,280 12.112,281 11.75,282 7.775,283 13.151,284 10.385,285 10.385,286 10.385,287 10.385,288 10.385,289 9.145,290 13.464,291 3.726,292 10.697,293 4.169,294 2.693,295 1.759,296 1.468,297 1.406,298 1.406,299 3.707,305 1,306 1,307 1,308 328,309 3.873,312 64.706,313 75.645,320 1.065,321 16.614,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 42.5,333 159,334 4.343,335 3.719,336 7.122,337 4.306,338 3.326,339 3.68,340 1.674,341 11.725,342 3.262,343 4.108,344 3.333,345 6.02,346 3.761,347 2.763,348 3.308,349 0.8,350 8.558,351 2.745,352 3.517,353 2.807,354 5.39,355 3.447,356 2.516,357 2.544,359 7.12,360 2.341,361 3.278,362 2.202,363 4.64,364 2.835,365 1.864,366 2.506,368 4.934,369 1.799,370 2.681,371 1.893,372 4.109,373 2.495,374 1.517,375 1.71,377 3.631,378 1.474,379 2.5,380 1.324,381 3.471,382 2.123,383 1.154,384 1.5,386 2.612,387 1.11,388 2.443,389 1.275,390 3.353,391 2,392 1,393 1.383,395 2.136,396 1,397 2.04,398 1,399 3.247,400 1.866,401 0.868,402 0.992,404 2.123,405 0.856,406 1.618,407 0.744,408 3,409 1.591,410 0.618,411 0.618,413 1.372,414 0.6,415 0.9,416 0.504,417 2.655,418 0.672,419 -0.267,420 -0.288,422 -0.722,423 -0.247,424 0.741,425 -0.236,426 2.608,427 0.28,428 -0.744,429 -0.933,431 -1.61,432 -0.744,433 0.5,434 -0.65,435 2,436 0.035,437 -0.937,438 -1,440 -2.347,441 -0.916,442 0.222,443 -1,444 2,446 -1,447 -1,449 -2.465,450 -1,452 -1,453 1.785,455 -1,456 -1.199,458 -3,459 -1,461 -1,462 1.555,464 -1,465 -1.5,467 -3,468 -1,469 9.567,470 0.478,471 0.621,472 0.031,473 19.5,474 0.975,475 7.5,476 0.375,477 12,478 0.6,479 20.454,480 1.023,481 23.433,482 0.521,483 12.273,484 0.614,485 3.472,486 0.174,487 5.994,488 0.3,489 0.192,490 0.052,491 0.199,496 0.732,497 1.469,498 0.984,499 1.323,500 0.622,501 1.201,502 0.868,503 1.075,504 0.958,505 1.011,506 0.49,507 0.983,508 1.01,509 1.317,510 1.185,511 1.349,512 0.68,513 1.292,514 1.615,515 0.799,516 0.857,517 0.733,518 1.207,519 0.718,520 1.864,521 0.695,522 0.982,523 0.681,524 1.657,525 0.714,526 1.79,527 1.232,528 1.474,529 1.254,530 2.368,531 1.33,532 0.606,533 1.129,534 1.062,535 1.158,536 0.96,537 1.163,538 0.498,539 0.762,540 0.796,541 0.792,542 0.785,543 0.824,544 5,545 0.005,546 2.222,547 1.285,548 1.106,549 0.819,550 0.52,551 0.219,552 0.079,553 0.021,554 3458,555 6748,556 1.955,557 55.6,558 9,559 12,564 4,567 1.622,568 1.805,569 2.99,570 -0.836,572 1,574 1,575 59.55,576 1.323,577 2.799,578 3.733,579 4.024,580 4.086,581 4.086,582 2.409,583 3.684,584 4.296,585 3.12,586 592.727,587 7.362,588 6154.33,590 1,592 1,593 247.133,594 1.619,595 4.225,596 0.238,597 0.002,598 0.077,599 0.051,600 0.046,601 0.029,602 0.021,603 0.012,604 0.007,605 0.003,606 0.487,607 0.67,608 1,609 0.897,610 88.155,611 0.029,612 -0.178,613 0.053,614 -0.086,615 -0.034,616 -0.026,617 0.154,618 0.082,619 0.077,620 0.056,621 0.17,622 0.063,623 0.037,624 -0.252,625 -0.177,626 -0.316,627 0.053,628 -0.275,629 -0.07,630 0.058,631 0.165,632 0.145,633 0.001,634 0.175,635 -0.1,636 0.308,637 0.107,638 0.235,639 0.033,640 0.205,641 -0.315,642 -0.151,643 -0.411,644 -0.171,645 -0.332,646 -0.29,647 -0.022,648 -0.171,649 -0.143,650 -0.172,651 -0.075,652 -0.173,653 0.019,654 0.094,655 0.09,656 0.111,657 -0.042,658 0.109,659 1.885,660 5.235,661 0.55,662 12.88,663 0.986,664 1.131,665 3.283,666 10.778,667 0.623,668 3.091,669 3.401,670 3.526,671 3.664,672 3.761,673 3.664,674 3.664,675 3.555,676 3.367,677 3.219,678 4.964,679 0.573,680 275.43,681 3.091,682 4.615,683 5.416,684 6.275,685 7.101,686 7.958,687 8.795,688 9.651,689 10.492,690 11.348,691 2.2,694 1,709 5,714 1,716 6,726 1,738 45,739 7,740 1,741 21,743 46,744 17,745 6,746 1,747 5,748 1,752 2,753 2,759 3,760 1,763 2,766 3,768 7,769 10,772 1,778 1,782 1,786 1,789 25,790 3,792 3,797 1,803 1,804 2,819 1,822 1,823 1,851 1,855 2,859 3,862 20,869 5,872 1,874 1,875 1,876 1,886 4.4,889 1,891 1,893 11.083,894 8.783,895 4.361,896 2.863,898 1.014,899 1.17,900 0.903,901 4.953,902 6.97,903 3.258,904 3.701,905 4.039,906 4.39,907 4.749,908 4.547,909 4.72,910 4.527,911 4.667,912 4.705,913 1,914 25,915 7.462,917 3.064,918 7.596,919 14.669,921 11.976,924 2.096,925 41.917,926 0.002,929 294.278,930 95.62,931 3.124,933 36.145,936 95.62,937 330.422,938 3.124,939 26.476,940 11.386,941 47.381,942 32.336,943 17.31,945 294.278,947 294.278,948 98.744,949 36.145,952 247.193,953 83.229,956 40.986,957 57.758,960 294.278,961 39.269,962 95.62,965 294.278,966 21.763,967 76.981,969 36.145,970 294.278,971 39.269,972 95.62,973 0.584,974 0.314,975 0.153,976 0.081,977 13,978 6,979 0.13,980 6,982 1,983 3.179,984 140.859,986 11,987 73.684,993 15.212,994 6.513,995 4.419,997 39.269,998 9.24,1003 0.628,1006 429.167,1007 25,1013 12.235,1017 -0.218,1020 44.36,1021 50.9,1022 0.241,1023 0.51,1024 0.68,1025 0.733,1026 0.744,1027 0.744,1028 4.505,1029 0.868,1030 5.442,1031 2.136,1032 4.078,1033 4.382,1034 2.024,1035 6.252,1036 4.019,1037 5.678,1038 0.618,1039 7.017,1040 2.123,1041 3.892,1042 4.135,1043 0.325,1044 7.476,1045 3.827,1046 6.969,1047 -0.267,1048 8.715,1049 1.372,1050 5.74,1051 6.33,1052 2.844,1053 10.422,1054 5.631,1055 8.294,1056 -0.744,1057 10.491,1058 -0.722,1059 6.365,1060 6.822,1061 0.268,1062 12.446,1063 6.256,1064 9.653,1065 -0.937,1066 12.316,1067 -1.61,1068 7.757,1069 8.588,1070 3.814,1071 15.027,1072 7.615,1073 11.033,1074 -1,1075 14.175,1076 -2.347,1077 8.708,1078 9.401,1079 0.188,1080 17.325,1081 8.562,1082 12.43,1083 -1,1084 16.058,1085 -2.465,1086 9.951,1087 10.987,1088 4.826,1089 19.813,1090 9.78,1091 3.326,1092 -1,1093 17.957,1094 -3,1095 11.036,1096 11.968,1097 0.125,1098 22.21,1099 10.855,1100 2.763,1101 11.725,1102 19.869,1103 -3,1104 12.232,1105 13.455,1106 5.851,1107 24.674,1108 12.032,1109 2.516,1110 8.558,1111 21.791,1112 3.68,1113 13.375,1114 14.539,1115 0.082,1116 27.109,1117 13.16,1118 1.864,1119 7.12,1120 23.72,1121 3.308,1122 14.561,1123 15.964,1124 6.88,1125 29.569,1126 14.327,1127 1.517,1128 4.934,1129 25.656,1130 2.544,1131 15.731,1132 17.114,1133 0.054,1134 32.019,1135 15.48,1136 1.154,1137 3.631,1138 27.596,1139 2.506,1140 16.918,1141 18.498,1142 7.91,1143 34.478,1144 16.647,1145 1,1146 2.612,1147 29.541,1148 1.71,1149 18.1,1150 19.693,1151 0.035,1152 36.935,1153 17.811,1154 3518,1155 5026,1156 13.405,1157 28.052,1158 31.629,1159 32.536,1160 30.991,1161 31.276,1162 31.255,1163 36.483,1164 4.949,1165 88.421,1166 30.37,1167 5.32,1168 5.719,1169 6.924,1170 5.382,1171 5.326,1172 6.68,1173 3.349,1174 18.823,1175 5.262,1176 10.277,1177 1.506,1178 1.549,1179 1.476,1180 1.489,1181 1.488,1182 1.737,1183 0.236,1184 4.211,1185 1.446,1186 3.951,1187 3.989,1188 3.878,1189 3.856,1190 7.433,1191 3.855,1192 3.861,1193 3.908,1194 3.752,1195 3.735,1196 4.741,1197 3.731,1198 3.725,1199 3.785,1200 3.582,1201 3.594,1202 4.515,1203 3.582,1204 3.311,1205 3.342,1206 3.223,1207 3.078,1208 4.271,1209 3.103,1210 3.11,1211 3.159,1212 2.935,1213 2.923,1214 4.094,1215 2.92,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.874,1223 3.009,1224 2.583,1225 2.671,1226 3.558,1227 2.635,1228 2.869,1229 2.979,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 0.207,1235 0.177,1236 0.339,1237 0.205,1238 0.158,1239 4.343,1240 0.175,1241 3.719,1242 0.08,1243 7.122,1244 0.558,1245 4.306,1246 0.155,1247 3.326,1248 3.68,1249 1.674,1250 11.725,1251 3.262,1252 1.901,1253 1.879,1254 2.035,1255 2.013,1256 1.328,1257 2.018,1258 1.803,1259 1.754,1260 2.002,1261 1.944,1262 1.211,1263 1.966,1264 1.577,1265 1.507,1266 1.86,1267 1.751,1268 1.068,1269 1.793,1270 1.489,1271 1.407,1272 1.748,1273 1.732,1274 1.026,1275 1.746,1276 1.151,1277 1.134,1278 1.417,1279 1.431,1280 0.668,1281 1.402,1282 0.968,1283 0.894,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.41,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.204,1297 1.192,1298 0.242,1299 1.211,1300 3.761,1302 5.069,1303 2.398,1304 6.547,1305 4.443,1306 8.098,1307 6.26,1308 9.688,1310 6.393,1315 5.583,1318 5.782,1320 -0.076,1321 2.397,1322 -0.049,1326 25.773,1327 59.55,1328 125.966,1329 167.975,1330 181.094,1331 183.849,1332 183.849,1333 39.362,1334 5.956,1335 29.54,1336 29.54,1337 11,1338 11.904,1339 3,1340 2.322,1341 36.199,1342 57,1343 56,1344 0.304,1345 162.131,1346 285.06,1347 387.359,1348 2278,1350 14.588,1351 0.729,1352 0.638,1353 14.588,1354 12.763,1355 9.465,1356 0.451,1357 0.355,1358 7.375,1359 9.181,1360 7.046,1361 5.947,1362 9.465,1363 7.45,1364 9.06,1365 0.312,1366 0.229,1367 9.06,1368 6.634,1369 6.428,1370 0.195,1371 0.117,1372 6.428,1373 3.847,1374 4.796,1375 0.126,1376 0.065,1377 4.796,1378 2.459,1379 3.551,1380 0.085,1381 0.037,1382 3.551,1383 1.535,1384 0.463,1385 58.798,1386 0.273,1387 19.837,1388 0.872,1389 100,1390 249.116,1391 108.613,1392 238.008,1393 318.45,1394 222,1395 112,1396 226.113,1397 121.364,1398 230.902,1399 334.1,1400 214,1401 4.706}
{0 CHEMBL1363796,1 1.576,2 10.586,3 5.145,4 26.473,5 115.562,6 7.932,7 0.688,8 4.03,9 4.138,10 3.664,11 3.624,12 5.152,13 3.588,14 4.523,15 4.674,16 4.045,17 3.981,18 5.618,19 3.94,20 4.753,21 4.933,22 4.19,23 4.137,24 5.828,25 4.071,26 4.803,27 4.981,28 4.275,29 4.186,30 5.957,31 4.109,32 4.846,33 5.017,34 4.281,35 4.234,36 6.017,37 4.139,38 4.872,39 5.057,40 4.162,41 4.222,42 5.982,43 4.117,44 4.878,45 5.088,46 4.035,47 4.181,48 5.958,49 4.043,50 4.779,51 5.004,52 3.72,53 4.033,54 5.767,55 3.875,56 0.018,57 0.721,58 10.41,59 4.705,60 7.183,61 5.748,62 0.168,63 1.163,64 18.14,65 7.397,66 18.304,67 9.449,68 0.355,69 1.452,70 25.727,71 9.532,72 28.046,73 11.814,74 0.291,75 1.532,76 28.297,77 10.435,78 36.038,79 12.63,80 0.317,81 1.581,82 33.186,83 11.994,84 46.985,85 13.509,86 0.291,87 1.614,88 32.647,89 11.895,90 45.442,91 13.821,92 0.416,93 1.587,94 34.586,95 12.69,96 53.998,97 15.366,98 0.288,99 1.401,100 31.563,101 11.651,102 48.605,103 14.264,104 19,105 45,106 0.261,107 0.591,108 0.74,109 0.851,110 0.875,111 0.875,112 3.409,113 0.935,114 -4.53,115 -4.45,116 -4.19,120 45.1,121 2,126 1,143 11,144 1,145 3,146 1,147 1,154 1,159 1,162 1,174 10,177 4,179 1,180 1,182 2,185 9,187 2,188 1,189 5,191 1,194 2,196 1,197 5,199 1,200 1,201 5,204 1,206 1,209 2,211 1,214 6,216 1,219 3,222 5,224 4,227 6,232 2,235 5,237 3,239 1,240 6,243 1,245 2,247 8,249 2,252 2,257 1,260 10,262 1,264 4,269 1,271 11,274 1324,275 19.836,276 19.836,277 19.836,278 19.836,279 19.836,280 17.05,281 19.44,282 11.828,283 20.313,284 15.765,285 15.765,286 15.765,287 15.765,288 15.765,289 11.598,290 20.511,291 5.519,292 16.515,293 4.096,294 2.099,295 1.198,296 0.53,297 0.383,298 0.383,299 4.104,306 1,307 1,308 661,309 3.24,312 58.763,313 246.514,316 112.493,320 1.6,321 20.947,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 61.5,333 307,334 4.83,335 4.026,336 7.212,337 4.354,338 3.425,339 4.786,340 1.058,341 12.716,342 3.181,343 4.219,344 3.471,345 6.454,346 3.82,347 2.86,348 3.836,349 0.86,350 9.923,351 2.743,352 4.032,353 3.139,354 5.861,355 3.614,356 2.639,357 3.628,359 7.947,360 2.572,361 3.775,362 2.791,363 5.512,364 3.351,365 2.366,366 3.21,368 7.066,369 2.318,370 3.498,371 2.689,372 5.426,373 3.041,374 2.109,375 2.876,377 6.637,378 1.995,379 3.381,380 2.261,381 4.937,382 2.979,383 2.025,384 2.683,386 5.751,387 1.894,388 2.971,389 2.202,390 4.553,391 2.523,392 1.577,393 2.107,395 4.195,396 1.48,397 2.938,398 1.741,399 4.339,400 2.464,401 1.48,402 2.093,404 3.776,405 1.443,406 2.83,407 1.576,408 3.672,409 2.32,410 1.354,411 1.981,413 3.02,414 1.3,415 2.749,416 1.333,417 3.628,418 2.265,419 1.293,420 1.856,422 2.941,423 1.248,424 2.5,425 1.245,426 3.497,427 2,428 1,429 1.5,431 2.275,432 1,433 2.178,434 1,435 3.414,436 1.939,437 1,438 1.132,440 1.788,441 0.929,442 2.067,443 0.874,444 3.111,445 1.598,446 0.625,447 0.884,449 1.583,450 0.605,451 1.404,452 0.698,453 3.01,454 1.088,455 0.124,456 0.147,458 0.284,459 0.117,460 1.217,461 0.617,462 2.592,463 0.871,464 -0.071,465 -0.087,467 -0.145,468 -0.066,469 14.2,470 0.49,471 0.661,472 0.023,473 40.75,474 1.405,475 22,476 0.759,477 18.75,478 0.647,479 23.133,480 0.798,481 29.9,482 0.586,483 31.662,484 1.092,485 8.162,486 0.281,487 5.935,488 0.205,489 0.153,491 0.338,496 0.83,497 1.275,498 0.827,499 1.019,500 0.667,501 0.914,502 0.916,503 1.195,504 0.693,505 0.911,506 0.612,507 0.886,508 1.182,509 0.986,510 0.832,511 0.818,512 0.96,513 0.833,514 1.126,515 1.069,516 0.892,517 0.973,518 0.994,519 0.909,520 1.349,521 1.1,522 1.245,523 1.143,524 1.551,525 0.971,526 1.429,527 1.071,528 1.268,529 1.098,530 1.499,531 1.033,532 0.991,533 1.014,534 1.252,535 1.131,536 1.055,537 1.069,538 1.167,539 1.013,540 1.31,541 1.16,542 1.493,543 1.145,544 4.5,545 0.082,546 3.111,547 2.986,548 2.082,549 1.247,550 0.892,551 0.433,552 0.313,553 0.163,554 9749,555 24372,556 2.09,557 43.1,558 3,559 13,561 1,562 2,564 3,567 1.726,568 1.955,569 3.336,570 0.194,575 80.389,576 1.576,577 3.573,578 4.475,579 5.143,580 5.29,581 5.29,582 2.85,583 4.349,584 4.824,585 3.474,586 1410.37,587 8.444,588 18323.3,593 289.294,594 1.416,595 4.788,596 0.141,597 0.005,598 0.069,599 0.061,600 0.042,601 0.025,602 0.019,603 0.011,604 0.01,605 0.007,606 0.39,607 0.17,608 1,609 0.897,610 144.568,611 -0.03,612 -0.192,613 -0.019,614 -0.096,615 -0.096,616 -0.021,617 0.107,618 -0.144,619 0.099,620 -0.038,621 0.061,622 0.01,623 0.041,624 0.073,625 0.096,626 0.107,627 -0.032,628 0.076,629 0.052,630 -0.004,631 0.129,632 0.011,633 0.154,634 0.017,635 -0.065,636 -0.035,637 -0.028,638 -0.034,639 -0.031,640 -0.021,641 -0.212,642 -0.018,643 -0.161,644 -0.059,645 -0.145,646 -0.09,647 0.052,648 -0.008,649 -0.133,650 -0.072,651 0.059,652 -0.082,653 -0.178,654 -0.051,655 -0.249,656 -0.127,657 -0.217,658 -0.143,659 1.896,660 6.164,661 0.724,662 27.092,663 0.999,664 1.113,665 3.298,666 10.875,667 0.702,668 3.497,669 3.829,670 4.159,671 4.5,672 4.762,673 4.852,674 5.011,675 5.118,676 5.147,677 5.198,678 6.088,679 0.661,680 404.55,681 3.497,682 5.043,683 5.916,684 6.819,685 7.719,686 8.635,687 9.548,688 10.471,689 11.392,690 12.319,691 5.9,698 1,699 1,701 1,708 1,709 12,714 6,715 1,716 22,723 1,735 1,738 51,739 23,740 2,741 32,743 54,744 23,745 19,746 4,747 8,748 1,752 4,753 5,759 2,768 20,769 3,772 1,778 1,782 1,789 22,790 3,791 1,792 6,793 1,794 1,797 3,798 1,803 0.75,804 2,816 1,822 1,823 3,826 1,855 3,857 1,859 2,862 29,869 1,870 1,871 1,872 1,886 3.9,889 1,891 1,893 14.833,894 9.733,895 6.472,896 3.11,898 3.957,899 1.514,900 1.007,901 5.717,902 11.653,903 3.807,904 4.457,905 5.12,906 5.802,907 6.388,908 6.723,909 7.19,910 7.618,911 7.877,912 8.25,913 1,914 49,915 10.7,917 4.521,918 7.674,919 20.429,921 16.552,924 2.174,925 63.056,928 1,929 246.24,930 198.334,931 21.196,933 36.145,935 38.564,936 159.77,937 282.385,938 21.196,939 17.65,940 22.603,941 104.239,942 55.441,943 39.768,945 262.215,947 246.24,948 180.966,949 36.145,950 38.564,952 210.927,953 71.458,956 56.794,957 122.886,958 1.286,959 38.564,960 246.24,961 57.341,962 198.334,965 246.24,966 28.833,967 134.122,968 18.011,969 74.708,970 246.24,971 57.341,972 198.334,973 0.574,974 0.348,975 0.208,976 0.121,977 22,978 10,979 0.093,980 5,981 1,982 1.095,983 3.908,984 268.191,985 0.095,986 21,987 136.881,988 1,993 19.707,994 8.413,995 3.813,996 0.818,997 54.156,998 23.08,1003 4.426,1004 1.929,1005 18.011,1006 501.915,1007 44,1013 13.164,1017 -0.229,1020 50.931,1021 56.778,1022 0.278,1023 0.63,1024 0.789,1025 0.907,1026 0.933,1027 0.933,1028 5.034,1029 1.48,1030 5.905,1031 4.195,1032 4.511,1033 5.145,1034 1.552,1035 6.772,1036 4.42,1037 6.262,1038 1.354,1039 7.493,1040 3.776,1041 4.111,1042 4.997,1044 7.806,1045 3.949,1046 7.587,1047 1.293,1048 9.189,1049 3.02,1050 6.138,1051 7.432,1052 1.527,1053 10.992,1054 5.941,1055 8.955,1056 1,1057 10.952,1058 2.941,1059 6.608,1060 8.163,1062 12.928,1063 6.319,1064 10.36,1065 1,1066 12.759,1067 2.275,1068 8.102,1069 10.059,1070 1.53,1071 15.654,1072 7.778,1073 11.794,1074 0.625,1075 14.599,1076 1.788,1077 8.981,1078 11.221,1080 17.954,1081 8.556,1082 13.251,1083 0.124,1084 16.462,1085 1.583,1086 10.277,1087 12.901,1088 1.557,1089 20.542,1090 9.804,1091 3.425,1092 -0.071,1093 18.345,1094 0.284,1095 11.345,1096 14.274,1098 22.986,1099 10.773,1100 2.86,1101 12.716,1102 20.242,1103 -0.145,1104 12.575,1105 15.871,1106 1.603,1107 25.534,1108 11.941,1109 2.639,1110 9.923,1111 22.152,1112 4.786,1113 13.727,1114 17.345,1116 28.035,1117 12.999,1118 2.366,1119 7.947,1120 24.071,1121 3.836,1122 14.941,1123 18.912,1124 1.663,1125 30.573,1126 14.142,1127 2.109,1128 7.066,1129 25.999,1130 3.628,1131 16.13,1132 20.433,1134 33.096,1135 15.244,1136 2.025,1137 6.637,1138 27.934,1139 3.21,1140 17.344,1141 21.993,1142 1.734,1143 35.634,1144 16.381,1145 1.577,1146 5.751,1147 29.875,1148 2.876,1149 18.551,1150 23.536,1152 38.167,1153 17.505,1154 9400,1155 15021,1156 21.383,1157 35.807,1158 48.247,1159 50.937,1160 50.502,1161 47.845,1162 47.753,1163 65.436,1164 3.837,1165 139.803,1166 45.651,1167 5.668,1168 6.026,1169 6.983,1170 5.411,1171 5.425,1172 7.786,1173 2.117,1174 20.409,1175 5.181,1176 13.805,1177 1.508,1178 1.592,1179 1.578,1180 1.495,1181 1.492,1182 2.045,1183 0.12,1184 4.369,1185 1.427,1186 4.19,1187 4.232,1188 4.217,1189 4.046,1190 7.429,1191 4.066,1192 3.918,1193 3.952,1194 3.854,1195 3.85,1196 5.006,1197 3.846,1198 3.851,1199 3.878,1200 3.794,1201 3.765,1202 4.785,1203 3.767,1204 3.486,1205 3.536,1206 3.571,1207 3.385,1208 4.753,1209 3.37,1210 3.459,1211 3.513,1212 3.321,1213 3.257,1214 4.383,1215 3.245,1216 3.273,1217 3.335,1218 3.265,1219 3.104,1220 4.328,1221 3.104,1222 3.078,1223 3.139,1224 3.001,1225 2.903,1226 4.012,1227 2.908,1228 2.864,1229 2.94,1230 2.939,1231 2.735,1232 3.793,1233 2.715,1234 0.151,1235 0.126,1236 0.225,1237 0.136,1238 0.107,1239 4.83,1240 0.15,1241 4.026,1242 0.033,1243 7.212,1244 0.397,1245 4.354,1246 0.099,1247 3.425,1248 4.786,1249 1.058,1250 12.716,1251 3.181,1252 1.952,1253 1.918,1254 2.043,1255 2.102,1256 1.152,1257 2.083,1258 1.917,1259 1.888,1260 2.032,1261 2.018,1262 1.132,1263 2.023,1264 1.847,1265 1.816,1266 1.955,1267 1.963,1268 1.044,1269 1.965,1270 1.515,1271 1.495,1272 1.786,1273 1.708,1274 0.924,1275 1.732,1276 1.455,1277 1.381,1278 1.588,1279 1.661,1280 0.696,1281 1.654,1282 1.238,1283 1.172,1284 1.474,1285 1.445,1286 0.597,1287 1.47,1288 1.074,1289 1.019,1290 1.243,1291 1.292,1292 0.328,1293 1.292,1294 0.886,1295 0.821,1296 1.181,1297 1.085,1298 0.218,1299 1.107,1300 4.174,1302 5.501,1303 2.398,1304 7.038,1305 4.949,1306 8.673,1307 7.235,1308 10.362,1310 3.956,1315 0.548,1316 4.744,1317 2.97,1318 5.807,1326 33.686,1327 80.389,1328 182.22,1329 228.22,1330 262.274,1331 269.784,1332 269.784,1333 44.485,1334 7.696,1335 47.36,1336 86.16,1337 23,1338 12.825,1339 4.585,1340 3.7,1341 44.389,1342 104,1343 127,1344 0.211,1345 210.589,1346 354.79,1347 505.598,1348 22291,1350 20.38,1351 0.703,1352 0.595,1353 20.88,1354 17.241,1355 14.097,1356 0.441,1357 0.312,1358 9.451,1359 13.411,1360 9.155,1361 7.637,1362 14.385,1363 9.972,1364 12.462,1365 0.277,1366 0.16,1367 12.795,1368 7.196,1369 10.697,1370 0.17,1371 0.083,1372 11.082,1373 5.216,1374 9.548,1375 0.107,1376 0.044,1377 10.083,1378 3.882,1379 7.999,1380 0.069,1381 0.023,1382 8.404,1383 2.708,1384 0.322,1385 90.397,1386 0.216,1387 27.016,1388 0.611,1389 154,1390 415.879,1391 181.063,1392 422.147,1393 587.84,1394 396,1395 185,1396 439.145,1397 211.944,1398 450.157,1399 666.3,1400 426,1401 6.796}
{0 CHEMBL1364018,1 1.85,2 7.25,3 2.991,4 8.946,5 79.673,6 9.358,7 0.455,8 3.624,9 3.71,10 3.442,11 3.262,12 4.744,13 3.214,14 4.154,15 4.287,16 3.808,17 3.635,18 5.254,19 3.57,20 4.301,21 4.462,22 3.774,23 3.593,24 5.505,25 3.526,26 4.265,27 4.418,28 3.828,29 3.658,30 5.38,31 3.578,32 4.333,33 4.519,34 3.812,35 3.673,36 5.428,37 3.573,38 4.231,39 4.409,40 3.807,41 3.556,42 5.446,43 3.433,44 4.108,45 4.284,46 3.571,47 3.394,48 5.296,49 3.267,50 3.831,51 4.05,52 2.985,53 3.111,54 4.837,55 2.905,56 0.07,57 0.468,58 4.669,59 3.082,60 5.407,61 3.446,62 0.207,63 0.771,64 13.965,65 5.683,66 16.138,67 6.236,68 0.542,69 0.884,70 18.827,71 6.185,72 49.721,73 6.093,74 0.315,75 0.869,76 15.697,77 6.18,78 26.787,79 6.617,80 0.307,81 0.862,82 18.136,83 6.918,84 29.912,85 7.814,86 0.393,87 0.744,88 24.103,89 7.055,90 37.257,91 7.359,92 0.386,93 0.614,94 17.558,95 5.999,96 36.265,97 6.206,98 0.226,99 0.454,100 16.384,101 5.087,102 23.178,103 5.948,104 12,105 31,106 0.343,107 0.69,108 0.841,109 0.886,110 0.886,111 0.886,112 3.059,113 1.044,114 -3.45,115 -3.43,116 -3.28,120 42.4,121 1,122 1,126 1,128 1,143 4,152 1,153 3,158 1,159 1,167 1,174 2,176 1,177 5,185 3,188 2,189 6,197 4,200 1,201 7,209 2,214 5,222 2,226 1,227 5,235 4,240 3,247 5,252 1,260 4,271 2,274 454,275 13.593,276 13.593,277 13.593,278 13.593,279 13.593,280 12.051,281 15.167,282 7.949,283 13.934,284 10.797,285 10.797,286 10.797,287 10.797,288 10.797,289 8.421,290 18.5,291 3.704,292 11.377,293 3.194,294 1.322,295 0.508,296 0.265,297 0.265,298 0.265,299 3.73,300 1,305 1,306 1,307 1,308 309,309 2.646,312 163.068,320 1.15,321 20.085,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43.333,333 145,334 4.417,335 3.817,336 6.723,337 4.153,338 3.194,339 3.915,340 2.093,341 10.965,342 3.062,343 4.126,344 3.283,345 6.106,346 3.766,347 2.784,348 3.623,349 0.782,350 8.932,351 2.728,352 3.81,353 2.941,354 5.661,355 3.385,356 2.445,357 3.195,358 0.627,359 7.371,360 2.279,361 3.548,362 2.524,363 5.056,364 3.163,365 2.176,366 2.787,367 0.313,368 6.06,369 2.138,370 3.01,371 2.032,372 4.554,373 2.655,374 1.695,375 2.114,377 4.443,378 1.607,379 2.677,380 1.879,381 4.036,382 2.184,383 1.219,384 1.689,386 3.175,387 1.168,388 2.253,389 1.481,390 3.796,391 1.914,392 0.966,393 1.156,395 2.471,396 0.887,397 2.126,398 1.347,399 3.269,400 1.677,401 0.694,402 0.941,404 1.735,405 0.675,406 2.118,407 0.808,408 3.238,409 1.571,410 0.618,411 0.927,413 1.604,414 0.583,415 1.902,416 0.701,417 3,418 1.459,419 0.618,420 0.801,422 1.372,423 0.505,424 1.458,425 0.618,426 2.512,427 0.89,428 0.151,429 0.177,431 0.205,432 0.085,433 0.507,434 0.013,435 2.414,436 0.267,437 -0.73,438 -0.835,440 -1.763,441 -0.728,442 0.418,443 -0.385,444 2.11,445 0.047,446 -0.933,447 -1.162,449 -2.545,450 -0.9,451 0.149,452 -0.476,453 1.604,454 -0.111,455 -1.105,456 -1.273,458 -2.897,459 -1.096,460 -0.031,461 -0.993,462 1.548,463 -0.446,464 -1.371,465 -1.706,467 -3.565,468 -1.257,469 10.014,470 0.501,471 0.486,472 0.024,473 23.75,474 1.188,475 11,476 0.55,477 12.75,478 0.638,479 16.785,480 0.839,481 21.186,482 0.642,483 14.807,484 0.74,485 4.576,486 0.229,487 5.11,488 0.256,489 0.155,491 0.34,496 0.637,497 1.079,498 0.585,499 0.848,500 0.55,501 0.836,502 0.85,503 1.221,504 0.892,505 1.014,506 0.668,507 0.924,508 1.199,509 1.022,510 0.966,511 0.993,512 1.056,513 0.965,514 0.929,515 1.212,516 0.862,517 1.049,518 0.975,519 1.005,520 1.001,521 1.014,522 0.812,523 0.867,524 1.069,525 0.932,526 1.017,527 0.929,528 1.036,529 1.045,530 1.085,531 0.975,532 1.4,533 0.801,534 1.107,535 0.915,536 1.375,537 0.977,538 1.033,539 0.825,540 1.355,541 1.059,542 0.981,543 1.155,544 4,546 2.444,547 1.097,548 1.32,549 0.667,550 0.356,551 0.286,552 0.105,553 0.025,554 3465,555 11699,556 2.077,557 39.4,559 7,560 1,563 5,567 1.625,568 1.935,569 2.886,570 -0.689,572 1,574 1,575 61.056,576 1.85,577 3.723,578 4.537,579 4.779,580 4.779,581 4.779,582 2.271,583 4.022,584 4.291,585 3.01,586 571.865,587 7.369,588 5799.23,589 1,590 1,591 1,592 1,593 166.465,594 1.441,595 4.248,596 0.182,598 0.079,599 0.041,600 0.046,601 0.025,602 0.015,603 0.016,604 0.011,605 0.008,606 0.422,607 0.5,608 1,609 1.059,610 86.881,611 0.028,612 -0.009,613 0.04,614 0.003,615 -0.031,616 -0.001,617 -0.005,618 -0.174,619 -0.047,620 -0.09,621 -0.01,622 -0.032,623 -0.012,624 0.065,625 -0.121,626 -0.059,627 0.027,628 -0.096,629 -0.017,630 -0.144,631 -0.042,632 -0.108,633 -0.072,634 -0.109,635 -0.088,636 -0.047,637 0.06,638 0.032,639 -0.055,640 0.022,641 0.065,642 0.033,643 0.084,644 -0.002,645 0.085,646 0.016,647 -0.118,648 0.083,649 -0.005,650 0.081,651 -0.074,652 0.01,653 -0.125,654 -0.008,655 -0.142,656 -0.031,657 -0.08,658 -0.062,659 1.858,660 4.963,661 0.75,662 13.86,663 1.017,664 1.114,665 2.22,666 4.929,667 0.727,668 3.135,669 3.466,670 3.761,671 4.043,672 4.143,673 4.317,674 4.382,675 4.454,676 4.382,677 4.043,678 4.657,679 0.686,680 308.81,681 3.135,682 4.673,683 5.533,684 6.422,685 7.307,686 8.204,687 9.099,688 9.999,689 10.898,690 11.8,691 6.1,698 1,700 1,709 5,712 1,713 1,714 3,716 10,738 33,739 12,741 22,743 35,744 14,745 8,748 1,750 1,752 3,753 3,754 1,755 1,759 2,763 2,766 2,768 10,769 4,772 2,778 1,781 1,782 2,785 1,786 1,788 1,789 13,790 4,792 6,793 2,797 2,803 1,804 2,822 3,855 3,857 1,859 1,860 1,862 20,869 2,874 1,875 1,880 1,885 1,886 6.1,889 1,891 1,893 10.333,894 6.293,895 4.444,896 1.896,898 1.838,899 1.282,900 0.977,901 3.943,902 8.345,903 3.401,904 3.961,905 4.491,906 5.015,907 5.178,908 5.561,909 5.836,910 6.203,911 6.408,912 6.393,913 0.8,914 27,915 7.392,917 3.161,918 7.806,919 14.043,921 11.567,924 2.306,925 46.111,926 0.001,929 153.024,930 110.758,931 19.665,932 39.149,933 34.652,935 31.278,936 79.481,937 226.825,938 19.665,939 8.825,940 8.386,941 45.554,942 32.606,943 26.17,944 24.027,945 211.68,947 153.024,948 99.146,949 34.652,950 70.426,952 153.024,953 34.652,956 33.874,957 65.272,958 39.149,959 31.278,960 153.024,961 54.317,962 149.907,965 153.024,966 56.379,967 57.381,969 90.464,970 153.024,971 54.317,972 149.907,973 0.58,974 0.347,975 0.19,976 0.095,977 16,978 7,979 0.057,980 2,982 1,983 3.205,984 153.747,986 15,987 86.439,989 1,993 13.835,994 5.7,995 2.704,997 54.317,998 9.75,1001 5.596,1002 1.613,1003 2.65,1006 357.249,1007 29,1013 11.963,1016 4.409,1017 0.596,1020 33.56,1021 36.771,1022 0.367,1023 0.738,1024 0.899,1025 0.947,1026 0.947,1027 0.947,1028 4.64,1029 0.694,1030 5.525,1031 2.471,1032 4.143,1033 4.644,1034 2.392,1035 6.358,1036 4.053,1037 5.837,1038 0.618,1039 7.098,1040 1.735,1041 3.761,1042 4.35,1043 1.593,1044 7.298,1045 3.672,1046 7.139,1047 0.618,1048 8.77,1049 1.604,1050 5.753,1051 6.744,1052 3.389,1053 10.417,1054 5.592,1055 8.477,1056 0.151,1057 10.502,1058 1.372,1059 6.236,1060 7.322,1061 3.32,1062 12.206,1063 6.052,1064 9.847,1065 -0.73,1066 12.273,1067 0.205,1068 7.668,1069 9.102,1070 4.681,1071 14.832,1072 7.439,1073 11.237,1074 -0.933,1075 14.069,1076 -1.763,1077 8.517,1078 10.068,1079 4.946,1080 16.958,1081 8.25,1082 12.643,1083 -1.105,1084 15.885,1085 -2.545,1086 9.753,1087 11.6,1088 6.065,1089 19.424,1090 9.449,1091 3.194,1092 -1.371,1093 17.716,1094 -2.897,1095 10.763,1096 12.754,1097 6.511,1098 21.696,1099 10.417,1100 2.784,1101 10.965,1102 19.557,1103 -3.565,1104 11.932,1105 14.178,1106 7.486,1107 24.106,1108 11.548,1109 2.445,1110 8.932,1111 21.407,1112 3.915,1113 13.014,1114 15.426,1115 8.041,1116 26.441,1117 12.587,1118 2.176,1119 7.371,1120 23.264,1121 3.623,1122 14.162,1123 16.803,1124 8.928,1125 28.834,1126 13.696,1127 1.695,1128 6.06,1129 25.128,1130 3.195,1131 15.279,1132 18.099,1133 9.55,1134 31.199,1135 14.769,1136 1.219,1137 4.443,1138 26.996,1139 2.787,1140 16.423,1141 19.457,1142 10.383,1143 33.588,1144 15.871,1145 0.966,1146 3.175,1147 28.869,1148 2.114,1149 17.556,1150 20.778,1151 11.047,1152 35.966,1153 16.961,1154 3438,1155 6421,1156 14.622,1157 23.994,1158 33.889,1159 34.482,1160 34.518,1161 33.038,1162 33.12,1163 42.652,1164 7.632,1165 96.664,1166 31.431,1167 5.328,1168 5.719,1169 6.319,1170 5.241,1171 5.194,1172 6.614,1173 3.761,1174 18.046,1175 5.048,1176 9.348,1177 1.54,1178 1.567,1179 1.569,1180 1.502,1181 1.505,1182 1.939,1183 0.347,1184 4.394,1185 1.429,1186 4.019,1187 4.043,1188 4.234,1189 3.958,1190 7.428,1191 3.914,1192 3.853,1193 3.861,1194 3.927,1195 3.781,1196 5.078,1197 3.769,1198 3.636,1199 3.668,1200 3.801,1201 3.476,1202 4.712,1203 3.483,1204 3.375,1205 3.412,1206 3.506,1207 3.226,1208 4.649,1209 3.217,1210 3.038,1211 3.134,1212 2.942,1213 2.868,1214 4.49,1215 2.84,1216 2.659,1217 2.726,1218 2.779,1219 2.513,1220 3.71,1221 2.504,1222 2.601,1223 2.676,1224 2.682,1225 2.376,1226 3.618,1227 2.302,1228 2.391,1229 2.468,1230 2.518,1231 2.286,1232 3.424,1233 2.232,1234 0.201,1235 0.173,1236 0.306,1237 0.189,1238 0.145,1239 4.417,1240 0.178,1241 3.817,1242 0.095,1243 6.723,1244 0.498,1245 4.153,1246 0.139,1247 3.194,1248 3.915,1249 2.093,1250 10.965,1251 3.062,1252 1.676,1253 1.649,1254 1.81,1255 1.805,1256 1.162,1257 1.809,1258 1.578,1259 1.541,1260 1.771,1261 1.773,1262 0.854,1263 1.738,1264 1.522,1265 1.494,1266 1.647,1267 1.716,1268 0.767,1269 1.731,1270 1.436,1271 1.404,1272 1.579,1273 1.565,1274 0.688,1275 1.587,1276 1.315,1277 1.307,1278 1.452,1279 1.432,1280 0.623,1281 1.476,1282 1.039,1283 0.986,1284 1.216,1285 1.212,1286 0.443,1287 1.254,1288 0.811,1289 0.735,1290 0.994,1291 1.017,1292 0.138,1293 1.074,1294 0.585,1295 0.517,1296 0.832,1297 0.958,1299 0.934,1300 3.807,1302 5.13,1303 3.434,1304 6.624,1305 5.687,1306 8.2,1307 7.695,1308 9.827,1310 1.886,1311 5.676,1315 0.575,1320 -0.082,1321 1.478,1326 22.648,1327 61.056,1328 122.855,1329 149.71,1330 157.71,1331 157.71,1332 157.71,1333 31.442,1334 6.507,1335 45.81,1336 74.05,1337 15,1338 12.322,1339 3.7,1340 3,1341 29.697,1342 56,1343 54,1344 0.275,1345 146.364,1346 249.34,1347 348.887,1348 4417,1349 3,1350 14.113,1351 0.706,1352 0.622,1353 14.966,1354 12.448,1355 9.686,1356 0.44,1357 0.348,1358 6.286,1359 8.539,1360 5.983,1361 4.908,1362 10.494,1363 7.659,1364 8.668,1365 0.28,1366 0.187,1367 9.455,1368 5.811,1369 7.482,1370 0.178,1371 0.104,1372 8.47,1373 4.379,1374 6.094,1375 0.109,1376 0.057,1377 6.907,1378 3.177,1379 4.231,1380 0.068,1381 0.03,1382 4.778,1383 1.883,1384 0.41,1385 68.885,1386 0.262,1387 19.506,1388 0.82,1389 106,1390 341.825,1391 151.122,1392 372.567,1393 496.32,1394 350,1395 126,1396 328.259,1397 165.461,1398 345.51,1399 507.22,1400 325,1401 4.447}
{0 CHEMBL1364395,1 1.717,2 6.35,3 1.071,4 1.148,5 79.255,6 8.423,7 0.286,8 3.613,9 3.731,10 3.272,11 3.219,12 4.879,13 3.178,14 4.077,15 4.232,16 3.636,17 3.59,18 5.247,19 3.53,20 4.373,21 4.547,22 3.827,23 3.81,24 5.551,25 3.729,26 4.489,27 4.662,28 3.996,29 3.86,30 5.897,31 3.781,32 4.517,33 4.716,34 3.902,35 3.862,36 5.848,37 3.757,38 4.485,39 4.703,40 3.699,41 3.691,42 5.963,43 3.557,44 4.23,45 4.501,46 2.915,47 3.24,48 5.442,49 3.05,50 3.751,51 4.101,52 1.528,53 2.552,54 4.651,55 2.229,56 0.048,57 0.521,58 6.69,59 2.972,60 13.681,61 3.5,62 0.148,63 0.794,64 10.848,65 4.74,66 23.782,67 6.118,68 0.16,69 1.027,70 16.779,71 6.885,72 43.728,73 8.26,74 0.352,75 1.166,76 21.015,77 7.498,78 82.962,79 8.803,80 0.198,81 1.186,82 22.834,83 8.291,84 56.311,85 9.723,86 0.403,87 1.132,88 25.232,89 7.804,90 91.812,91 9.046,92 0.293,93 0.791,94 18.874,95 5.674,96 62.433,97 7.02,98 0.198,99 0.439,100 13.242,101 3.739,102 44.58,103 5.182,104 31,105 29,106 0.316,107 0.712,108 0.791,109 0.843,110 0.858,111 0.858,112 3.06,113 0.926,114 -2.06,115 -2.11,116 -2.09,120 41.2,123 2,125 1,137 1,140 1,143 5,144 1,159 3,164 1,165 1,166 1,174 9,177 4,179 1,180 2,182 2,185 11,187 1,189 3,194 2,197 9,199 1,200 2,201 5,203 1,204 2,206 4,209 5,211 2,214 6,219 4,222 2,224 2,226 1,227 6,229 1,230 2,231 1,232 4,234 1,237 2,240 3,245 2,249 1,274 506,275 13.414,276 13.414,277 13.414,278 13.414,279 13.414,280 11.893,281 14.853,282 7.846,283 13.621,284 10.194,285 10.194,286 10.194,287 10.194,288 10.194,289 7.859,290 15.426,291 3.486,292 10.478,293 3.371,294 1.223,295 0.798,296 0.515,297 0.434,298 0.434,299 3.71,306 1,307 1,308 255,309 2.828,313 124.393,320 0.85,321 24.788,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 43,333 127,334 4.562,335 4.262,336 7.064,337 4.298,338 3.312,339 3.966,340 2.704,341 12.156,342 3.265,343 3.942,344 4.063,345 6.096,346 3.566,347 2.577,348 3.4,349 2.236,350 8.529,351 2.543,352 3.883,353 3.558,354 5.678,355 3.428,356 2.456,357 3.158,358 1.895,359 7.458,360 2.388,361 3.455,362 3.23,363 4.917,364 2.872,365 1.941,366 2.564,367 0.619,368 5.313,369 1.781,370 3.141,371 2.609,372 4.568,373 2.669,374 1.683,375 2.182,376 0.467,377 4.252,378 1.651,379 3.035,380 1.997,381 3.682,382 2.235,383 1.259,384 1.65,385 0.167,386 2.869,387 1.225,388 2.5,389 1.593,390 3.46,391 2,392 1,393 1.5,395 2.136,396 1,397 2.491,398 1.406,399 3.247,400 1.744,401 0.811,402 1.204,404 1.668,405 0.75,406 1.524,407 1.09,408 3.113,409 1.276,410 0.327,411 0.37,413 0.486,414 0.307,415 1.368,416 1,417 2.478,418 0.839,419 -0.14,420 -0.192,422 -0.235,423 -0.133,424 1.115,425 0.593,426 2.274,427 0.623,428 -0.335,429 -0.459,431 -0.811,432 -0.317,433 0.644,434 0.405,435 2.197,436 0.261,437 -0.626,438 -0.736,440 -1.382,441 -0.547,442 0.5,443 -0.436,444 1.691,446 -1,447 -1.358,449 -2.347,450 -0.981,451 0.375,452 -0.61,453 1.555,454 -0.016,455 -1,456 -1.5,458 -2.379,459 -1,460 -0.107,461 -0.902,462 1.452,463 -0.377,464 -1.365,465 -1.648,466 -0.241,467 -2.976,468 -1.293,469 9.767,470 0.488,471 0.49,472 0.025,473 25.75,474 1.288,475 13.5,476 0.675,477 12.25,478 0.613,479 15.909,480 0.795,481 20.833,482 0.613,483 18.361,484 0.918,485 5.156,486 0.258,487 4.439,488 0.222,489 0.253,491 0.358,496 0.833,497 1.088,498 0.871,499 0.923,500 0.655,501 0.852,502 0.543,503 0.944,504 0.653,505 0.847,506 0.51,507 0.89,508 1.017,509 1.031,510 0.864,511 0.925,512 0.929,513 0.935,514 1.056,515 1.045,516 0.94,517 1.064,518 1.159,519 0.996,520 1.03,521 1.182,522 1.073,523 1.11,524 1.055,525 1.012,526 1.122,527 1.129,528 1.387,529 1.283,530 1.057,531 1.176,532 1.512,533 1.006,534 1.254,535 1.043,536 1.532,537 1.207,538 1.014,539 0.612,540 1.038,541 0.793,542 1.197,543 1.029,544 3.5,546 2.444,547 2.125,548 1.827,549 1.021,550 0.387,551 0.155,552 0.02,554 2805,555 9681,556 1.938,557 41.2,558 1,559 8,562 4,563 1,567 1.632,568 1.765,569 2.646,570 1.977,572 1,574 1,575 58.368,576 1.717,577 3.864,578 4.29,579 4.572,580 4.653,581 4.653,582 2.009,583 3.546,584 4.294,585 2.757,586 523.772,587 7.408,588 5356.29,589 1,590 1,593 172.974,594 1.559,595 4.219,596 0.167,598 0.084,599 0.063,600 0.051,601 0.03,602 0.015,603 0.015,604 0.02,606 0.446,607 0.67,608 1,609 1.264,610 85.218,611 -0.142,612 0.021,613 -0.095,614 0.005,615 -0.071,616 0.039,617 0.166,618 0.078,619 0.07,620 0.031,621 0.046,622 0.035,623 -0.115,624 -0.042,625 -0.001,626 0.024,627 -0.104,628 0.013,629 0.11,630 -0.03,631 0.047,632 -0.068,633 0.032,634 -0.066,635 -0.088,636 -0.181,637 -0.022,638 -0.075,639 -0.028,640 -0.04,641 0.044,642 -0.105,643 -0.212,644 -0.218,645 0.13,646 -0.221,647 -0.327,648 -0.093,649 -0.266,650 -0.131,651 -0.29,652 -0.238,653 -0.155,654 0.19,655 -0.059,656 0.097,657 -0.22,658 0.04,659 1.979,660 5.116,661 0.6,662 12.03,663 1.007,664 1.123,665 0.829,666 0.686,667 0.704,668 3.091,669 3.401,670 3.714,671 4.007,672 4.22,673 4.19,674 4.078,675 3.951,676 3.738,677 3.296,678 4.182,679 0.665,680 286.39,681 3.091,682 4.615,683 5.476,684 6.372,685 7.262,686 8.168,687 9.066,688 9.975,689 10.877,690 11.786,691 11.8,692 1,698 1,700 2,709 5,714 1,716 6,738 34,739 10,740 1,741 21,743 35,744 14,745 6,746 1,747 5,748 3,752 2,753 2,764 2,767 1,768 10,769 3,770 2,772 3,778 1,781 1,782 4,785 1,786 1,789 14,790 5,791 3,792 6,793 1,797 4,803 1,804 1,823 2,833 1,838 1,846 1,848 1,855 2,857 1,859 1,862 20,863 1,870 1,871 1,874 2,877 1,882 1,884 1,886 2.9,889 1,893 11.333,894 6.183,895 4.667,896 1.818,898 2.006,899 1.321,900 0.941,901 4.361,902 8.251,903 3.401,904 3.902,905 4.428,906 4.95,907 5.424,908 5.608,909 5.818,910 6.07,911 6.198,912 6.048,913 1,914 34,915 7.36,917 3.127,918 8.061,919 13.533,921 10.82,924 2.561,925 51.222,929 128.529,930 125.469,931 98.753,933 25.145,935 38.564,936 86.905,937 153.674,938 98.753,939 8.396,940 50.908,941 47.381,942 58.392,943 56.544,945 156.275,947 128.529,948 185.658,949 25.145,950 38.564,952 128.529,953 25.145,956 98.753,957 86.905,959 38.564,960 128.529,961 123.898,962 125.469,965 128.529,966 14.526,967 55.778,968 34.612,969 144.451,970 128.529,971 123.898,972 125.469,973 0.57,974 0.362,975 0.213,976 0.121,977 13,978 7,979 0.057,980 2,982 1,983 2.966,984 151.839,986 12,987 82.439,988 1,993 14.486,994 6.021,995 2.688,997 123.898,998 9.294,1003 0.835,1005 50.908,1006 377.896,1007 29,1013 12.116,1016 4.016,1017 0.483,1020 34.229,1021 38.199,1022 0.337,1023 0.76,1024 0.843,1025 0.899,1026 0.915,1027 0.915,1028 4.649,1029 0.811,1030 5.476,1031 2.136,1032 4.078,1033 4.585,1034 3.412,1035 6.351,1036 4.027,1037 5.867,1038 0.327,1039 7.079,1040 1.668,1041 3.761,1042 4.311,1043 2.757,1044 7.441,1045 3.692,1046 7.183,1047 -0.14,1048 8.791,1049 0.486,1050 5.714,1051 6.684,1052 4.929,1053 10.605,1054 5.632,1055 8.532,1056 -0.335,1057 10.567,1058 -0.235,1059 6.236,1060 7.189,1061 4.896,1062 12.544,1063 6.143,1064 9.911,1065 -0.626,1066 12.385,1067 -0.811,1068 7.683,1069 9.045,1070 6.626,1071 15.254,1072 7.579,1073 11.311,1074 -1,1075 14.231,1076 -1.382,1077 8.582,1078 9.926,1079 6.933,1080 17.533,1081 8.467,1082 12.73,1083 -1,1084 16.098,1085 -2.347,1086 9.849,1087 11.549,1088 8.413,1089 20.097,1090 9.723,1091 3.312,1092 -1.365,1093 17.98,1094 -2.379,1095 10.915,1096 12.634,1097 8.939,1098 22.51,1099 10.777,1100 2.577,1101 12.156,1102 19.875,1103 -2.976,1104 12.123,1105 14.139,1106 10.26,1107 25.028,1108 11.974,1109 2.456,1110 8.529,1111 21.78,1112 3.966,1113 13.261,1114 15.34,1115 10.936,1116 27.493,1117 13.099,1118 1.941,1119 7.458,1120 23.693,1121 3.4,1122 14.454,1123 16.783,1124 12.151,1125 29.996,1126 14.279,1127 1.683,1128 5.313,1129 25.613,1130 3.158,1131 15.623,1132 18.053,1133 12.929,1134 32.48,1135 15.435,1136 1.259,1137 4.252,1138 27.538,1139 2.564,1140 16.813,1141 19.462,1142 14.072,1143 34.979,1144 16.612,1145 1,1146 2.869,1147 29.468,1148 2.182,1149 17.997,1150 20.774,1151 14.92,1152 37.472,1153 17.782,1154 2979,1155 5595,1156 13.235,1157 23.932,1158 32.211,1159 35.024,1160 33.936,1161 30.774,1162 30.736,1163 39.99,1164 16.176,1165 89.734,1166 29.82,1167 5.434,1168 6.262,1169 6.866,1170 5.336,1171 5.312,1172 6.966,1173 4.941,1174 19.671,1175 5.265,1176 11.581,1177 1.534,1178 1.668,1179 1.616,1180 1.465,1181 1.464,1182 1.904,1183 0.77,1184 4.273,1185 1.42,1186 4.007,1187 4.036,1188 4.013,1189 3.941,1190 7.428,1191 3.937,1192 3.759,1193 3.796,1194 3.758,1195 3.669,1196 6.82,1197 3.666,1198 3.513,1199 3.579,1200 3.474,1201 3.287,1202 5.113,1203 3.313,1204 3.195,1205 3.261,1206 3.417,1207 3.061,1208 4.746,1209 3.017,1210 3.051,1211 3.14,1212 2.94,1213 2.887,1214 4.547,1215 2.869,1216 2.875,1217 2.94,1218 2.888,1219 2.735,1220 4.181,1221 2.715,1222 2.854,1223 2.925,1224 2.702,1225 2.647,1226 3.838,1227 2.67,1228 2.783,1229 2.842,1230 2.687,1231 2.572,1232 3.674,1233 2.523,1234 0.217,1235 0.203,1236 0.336,1237 0.205,1238 0.158,1239 4.562,1240 0.189,1241 4.262,1242 0.129,1243 7.064,1244 0.579,1245 4.298,1246 0.155,1247 3.312,1248 3.966,1249 2.704,1250 12.156,1251 3.265,1252 1.973,1253 1.948,1254 2.069,1255 2.06,1256 1.311,1257 2.064,1258 1.731,1259 1.699,1260 1.833,1261 1.862,1262 0.951,1263 1.863,1264 1.419,1265 1.358,1266 1.669,1267 1.703,1268 0.678,1269 1.692,1270 1.151,1271 1.085,1272 1.353,1273 1.374,1274 0.372,1275 1.386,1276 0.986,1277 0.93,1278 1.181,1279 1.241,1280 0.218,1281 1.221,1282 0.886,1283 0.821,1284 1.151,1285 1.062,1286 0.204,1287 1.107,1288 0.808,1289 0.741,1290 1.016,1291 1.042,1293 1.051,1294 0.666,1295 0.602,1296 0.815,1297 0.982,1299 0.982,1300 3.761,1302 5.069,1304 6.605,1306 8.253,1308 9.962,1310 1.541,1313 5.801,1316 4.263,1317 2.583,1320 -1.112,1324 9.338,1325 2.065,1326 22.622,1327 58.368,1328 131.39,1329 145.854,1330 155.464,1331 158.219,1332 158.219,1333 46.999,1334 6.244,1335 91.27,1336 130.07,1337 12,1338 12.303,1339 3.459,1340 3.17,1341 35.77,1342 47,1343 50,1344 0.377,1345 149.162,1346 265.32,1347 355.714,1348 3079,1350 14.698,1351 0.735,1352 0.588,1353 15.198,1354 11.763,1355 9.596,1356 0.457,1357 0.309,1358 6.004,1359 9.054,1360 5.802,1361 4.839,1362 9.884,1363 6.483,1364 8.201,1365 0.283,1366 0.166,1367 8.571,1368 4.819,1369 7.037,1370 0.176,1371 0.09,1372 7.347,1373 3.62,1374 6.032,1375 0.112,1376 0.049,1377 6.494,1378 2.673,1379 4.706,1380 0.07,1381 0.027,1382 5.011,1383 1.83,1384 0.545,1385 62.647,1386 0.275,1387 19.059,1388 1.202,1389 100,1390 306.768,1391 120.8,1392 322.354,1393 423.82,1394 296,1395 119,1396 289.591,1397 136.011,1398 304.311,1399 439.33,1400 285,1401 4.722}
{0 CHEMBL1364445,1 1.63,2 9.467,3 4.17,4 17.39,5 112.38,6 7.836,7 0.545,8 4.065,9 4.167,10 3.679,11 3.582,12 5.239,13 3.586,14 4.581,15 4.736,16 4.014,17 3.934,18 5.69,19 3.936,20 4.739,21 4.897,22 4.133,23 4.075,24 5.889,25 4.06,26 4.848,27 5.022,28 4.147,29 4.146,30 5.926,31 4.111,32 5.008,33 5.207,34 4.131,35 4.232,36 5.981,37 4.168,38 4.989,39 5.179,40 4.125,41 4.25,42 6.013,43 4.171,44 5.045,45 5.288,46 4.114,47 4.229,48 6.028,49 4.144,50 5.003,51 5.247,52 4.033,53 4.117,54 6.046,55 4.047,56 0.081,57 0.796,58 9.659,59 4.879,60 8.343,61 5.742,62 0.359,63 1.244,64 19.614,65 7.488,66 29.679,67 8.928,68 0.513,69 1.52,70 22.519,71 8.726,72 38.381,73 10.696,74 0.469,75 1.619,76 25.518,77 9.89,78 41.493,79 12.44,80 0.804,81 1.723,82 32.881,83 11.675,84 52.882,85 14.936,86 0.656,87 1.738,88 31.101,89 12.361,90 54.184,91 15.845,92 0.511,93 1.849,94 35.614,95 13.309,96 51,97 18.06,98 0.582,99 1.752,100 34.996,101 12.056,102 60.757,103 15.917,104 26,105 46,106 0.271,107 0.575,108 0.71,109 0.783,110 0.792,111 0.818,112 3.441,113 0.861,114 -3.93,115 -3.89,116 -3.69,120 44.2,122 1,125 3,128 1,143 8,144 2,145 5,146 2,158 1,167 1,174 6,177 10,185 6,188 2,189 14,197 5,200 2,201 10,209 6,213 3,214 3,222 13,226 3,227 2,235 11,239 1,240 10,247 6,252 11,260 2,263 2,264 5,274 1576,275 20.765,276 20.765,277 20.765,278 20.765,279 20.765,280 18.393,281 26.074,282 12.147,283 21.498,284 16.111,285 16.111,286 16.111,287 16.111,288 16.111,289 12.427,290 39.129,291 5.51,292 17.034,293 4.07,294 2.24,295 1.424,296 0.986,297 0.933,298 0.774,299 4.137,306 1,307 1,308 606,309 2.828,312 83.081,313 294.972,320 1.369,321 29.123,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66,333 284,334 4.493,335 3.557,336 6.77,337 4.199,338 3.235,339 4.129,340 0.86,341 11.169,342 3.118,343 4.327,344 3.337,345 6.498,346 3.95,347 3.004,348 3.824,349 0.86,350 10.163,351 2.839,352 4.062,353 2.953,354 6.07,355 3.679,356 2.702,357 3.631,358 0.86,359 8.787,360 2.633,361 3.813,362 2.857,363 5.743,364 3.448,365 2.482,366 3.174,367 0.782,368 7.718,369 2.391,370 3.486,371 2.555,372 5.19,373 3.103,374 2.157,375 2.796,376 0.657,377 6.118,378 2.023,379 3.355,380 2.524,381 5.052,382 2.972,383 2.061,384 2.604,386 6.055,387 1.867,388 3.305,389 2.058,390 4.695,391 2.799,392 1.839,393 2.591,395 4.958,396 1.759,397 2.796,398 1.97,399 4.299,400 2.396,401 1.441,402 1.893,404 3.766,405 1.372,406 2.5,407 1.508,408 3.95,409 2.018,410 1.151,411 1.5,413 2.748,414 1,415 2.5,416 1.186,417 3.631,418 2,419 1,420 1.5,422 2.479,423 0.993,424 2.446,425 1.118,426 3.477,427 1.957,428 1,429 1.368,431 2.275,432 0.954,433 2.157,434 1,435 3.414,436 1.899,437 0.937,438 1.122,440 2.136,441 0.896,442 1.965,443 1,444 3.247,445 1.756,446 0.817,447 0.908,449 1.988,450 0.761,451 1.576,452 0.926,453 2.859,454 1.27,455 0.396,456 0.452,458 0.603,459 0.342,460 1.398,461 0.916,462 2.67,463 1.147,464 0.306,465 0.327,467 0.389,468 0.256,469 13.986,470 0.466,471 0.619,472 0.021,473 41,474 1.367,475 21.5,476 0.717,477 19.5,478 0.65,479 24.057,480 0.802,481 32.214,482 0.62,483 33.181,484 1.106,485 8.601,486 0.287,487 6.038,488 0.201,489 0.128,491 0.35,494 1,496 0.726,497 1.133,498 0.703,499 1.144,500 0.594,501 0.968,502 1.197,503 0.997,504 0.843,505 0.823,506 0.785,507 0.764,508 0.95,509 1.16,510 0.953,511 1.036,512 0.935,513 0.99,514 0.895,515 1.087,516 1.012,517 1.123,518 0.796,519 1.09,520 1.012,521 0.705,522 1.085,523 0.875,524 0.634,525 0.978,526 0.814,527 0.886,528 1.055,529 1.088,530 0.609,531 1.134,532 0.678,533 0.92,534 0.797,535 0.952,536 0.67,537 0.911,538 0.995,539 0.916,540 0.915,541 0.916,542 0.921,543 0.89,544 5.5,545 0.198,546 3.556,547 1.91,548 2.128,549 1.382,550 0.705,551 0.649,552 0.449,553 0.294,554 10422,555 31230,556 2.087,557 42.3,559 18,561 2,563 2,567 1.738,568 1.957,569 3.225,570 -0.759,572 1,575 84.764,576 1.63,577 3.46,578 4.277,579 4.714,580 4.767,581 4.926,582 2.644,583 4.374,584 4.876,585 3.395,586 1476.88,587 8.563,588 20105.3,590 1,592 1,593 296.423,594 1.4,595 4.839,596 0.167,597 0.009,598 0.077,599 0.038,600 0.043,601 0.028,602 0.015,603 0.014,604 0.01,605 0.009,606 0.409,607 0.5,608 1,609 0.883,610 150.94,611 0.009,612 -0.113,613 0.071,614 -0.116,615 -0.022,616 -0.033,617 -0.177,618 -0.031,619 0.062,620 0.152,621 -0.047,622 0.16,623 0.015,624 -0.083,625 -0.06,626 -0.063,627 -0.019,628 -0.07,629 -0.033,630 -0.095,631 -0.117,632 -0.158,633 -0.059,634 -0.153,635 -0.085,636 0.129,637 -0.137,638 0.078,639 -0.089,640 -0.023,641 0.019,642 -0.024,643 -0.136,644 -0.094,645 -0.008,646 -0.15,647 0.047,648 -0.032,649 0.176,650 0.04,651 0.068,652 0.121,653 -0.067,654 0.015,655 0.1,656 0.051,657 0.016,658 0.111,659 1.959,660 5.507,661 0.767,662 28.067,663 1.012,664 1.127,665 2.704,666 7.313,667 0.672,668 3.526,669 3.85,670 4.174,671 4.466,672 4.727,673 4.868,674 5.056,675 5.226,676 5.361,677 5.416,678 6.06,679 0.651,680 407.48,681 3.526,682 5.069,683 5.938,684 6.828,685 7.718,686 8.618,687 9.518,688 10.424,689 11.33,690 12.239,691 5.8,697 1,700 1,701 1,709 10,710 1,714 7,716 18,735 3,737 1,738 52,739 19,740 2,741 33,743 55,744 23,745 17,746 6,747 6,748 1,752 4,753 4,755 1,763 2,766 2,768 18,769 5,772 1,781 1,782 1,786 1,787 1,789 22,790 7,792 7,797 3,803 1,804 3,816 1,822 1,823 3,855 4,859 3,861 1,862 30,869 1,872 3,874 1,875 1,885 1,886 5.8,891 3,893 15.333,894 10.41,895 6.833,896 2.841,898 2.704,899 1.354,900 0.971,901 5.978,902 10.334,903 3.784,904 4.376,905 4.965,906 5.518,907 6.056,908 6.271,909 6.666,910 7.057,911 7.493,912 7.856,913 1,914 50,915 11.05,917 4.641,918 7.789,919 20.891,921 16.77,924 2.289,925 68.667,927 1,928 1,929 258.964,930 165.824,931 36.45,933 33,934 14.96,936 165.824,937 291.964,938 51.41,939 32.649,940 2.535,941 75.81,942 43.084,943 104.739,944 14.96,945 235.422,947 258.964,948 202.275,949 47.96,952 273.924,953 33,956 37.292,957 148.197,958 16.786,960 273.924,961 69.45,962 165.824,965 258.964,966 39.27,967 129.556,969 81.408,970 258.964,971 84.41,972 165.824,973 0.571,974 0.354,975 0.2,976 0.113,977 22,978 10,979 0.109,980 6,982 1,983 3.978,984 279.808,986 23,987 135.207,993 20.33,994 8.821,995 4.05,997 84.41,998 17.518,999 4.208,1003 4.05,1006 509.199,1007 43,1016 4.844,1017 0.895,1020 52.636,1021 58.615,1022 0.286,1023 0.607,1024 0.75,1025 0.827,1026 0.836,1027 0.864,1028 5.021,1029 1.441,1030 5.922,1031 4.958,1032 4.533,1033 5.063,1034 2.018,1035 6.763,1036 4.434,1037 6.222,1038 1.151,1039 7.497,1040 3.766,1041 4.111,1042 4.783,1044 7.727,1045 3.964,1046 7.529,1047 1,1048 9.174,1049 2.748,1050 6.151,1051 7.227,1052 1.687,1053 10.847,1054 5.975,1055 8.873,1056 1,1057 10.91,1058 2.479,1059 6.581,1060 7.752,1062 12.641,1063 6.35,1064 10.249,1065 0.937,1066 12.685,1067 2.275,1068 8.064,1069 9.654,1070 1.398,1071 15.275,1072 7.814,1073 11.645,1074 0.817,1075 14.487,1076 2.136,1077 8.878,1078 10.561,1080 17.404,1081 8.571,1082 13.058,1083 0.396,1084 16.306,1085 1.988,1086 10.146,1087 12.22,1088 1.146,1089 19.876,1090 9.818,1091 3.235,1092 0.306,1093 18.14,1094 0.603,1095 11.139,1096 13.335,1098 22.149,1099 10.758,1100 3.004,1101 11.169,1102 19.984,1103 0.389,1104 12.325,1105 14.87,1106 0.928,1107 24.563,1108 11.916,1109 2.702,1110 10.163,1111 21.837,1112 4.129,1113 13.401,1114 16.102,1116 26.9,1117 12.945,1118 2.482,1119 8.787,1120 23.697,1121 3.824,1122 14.558,1123 17.571,1124 0.742,1125 29.296,1126 14.069,1127 2.157,1128 7.718,1129 25.562,1130 3.631,1131 15.673,1132 18.873,1134 31.663,1135 15.141,1136 2.061,1137 6.118,1138 27.432,1139 3.174,1140 16.823,1141 20.307,1142 0.586,1143 34.055,1144 16.256,1145 1.839,1146 6.055,1147 29.306,1148 2.796,1149 17.957,1150 21.649,1152 36.437,1153 17.35,1154 10103,1155 17605,1156 22.076,1157 34.932,1158 49.267,1159 50.255,1160 51.727,1161 49.002,1162 49.057,1163 63.638,1164 8.039,1165 142.702,1166 46.408,1167 5.391,1168 5.557,1169 6.571,1170 5.235,1171 5.235,1172 7.129,1173 1.72,1174 18.382,1175 5.118,1176 14.513,1177 1.493,1178 1.523,1179 1.567,1180 1.485,1181 1.487,1182 1.928,1183 0.244,1184 4.324,1185 1.406,1186 4.05,1187 4.084,1188 4.007,1189 3.944,1190 8.201,1191 3.954,1192 3.879,1193 3.895,1194 3.84,1195 3.791,1196 4.995,1197 3.797,1198 3.851,1199 3.886,1200 3.798,1201 3.762,1202 4.921,1203 3.767,1204 3.58,1205 3.631,1206 3.509,1207 3.408,1208 4.72,1209 3.424,1210 3.303,1211 3.355,1212 3.144,1213 3.006,1214 4.58,1215 3.026,1216 3.232,1217 3.302,1218 3.063,1219 2.974,1220 4.477,1221 2.984,1222 3.17,1223 3.248,1224 2.957,1225 2.892,1226 4.449,1227 2.89,1228 2.926,1229 2.977,1230 2.877,1231 2.773,1232 4.141,1233 2.78,1234 0.136,1235 0.108,1236 0.205,1237 0.127,1238 0.098,1239 4.493,1240 0.125,1241 3.557,1242 0.026,1243 6.77,1244 0.338,1245 4.199,1246 0.094,1247 3.235,1248 4.129,1249 0.86,1250 11.169,1251 3.118,1252 1.922,1253 1.905,1254 2.011,1255 2.032,1256 1.252,1257 2.024,1258 1.868,1259 1.84,1260 1.968,1261 1.984,1262 1.047,1263 1.98,1264 1.828,1265 1.801,1266 1.927,1267 1.942,1268 1.006,1269 1.938,1270 1.416,1271 1.371,1272 1.643,1273 1.617,1274 0.823,1275 1.626,1276 1.227,1277 1.163,1278 1.59,1279 1.558,1280 0.584,1281 1.565,1282 1.212,1283 1.152,1284 1.569,1285 1.507,1286 0.572,1287 1.527,1288 1.165,1289 1.079,1290 1.498,1291 1.456,1292 0.557,1293 1.454,1294 1.064,1295 0.979,1296 1.243,1297 1.329,1298 0.365,1299 1.324,1300 4.205,1302 5.525,1303 2.398,1304 7.055,1305 4.727,1306 8.677,1307 6.862,1308 10.347,1310 4.75,1312 13.507,1315 0.641,1318 16.502,1320 -0.139,1321 1.891,1326 33.86,1327 84.764,1328 179.919,1329 222.384,1330 245.139,1331 247.894,1332 256.158,1333 51.231,1334 7.629,1335 56.18,1336 56.18,1337 23,1338 12.756,1339 4.322,1340 3.459,1341 46.51,1342 104,1343 115,1344 0.212,1345 206.117,1346 363.36,1347 494.684,1348 18549,1349 1.9,1350 21.087,1351 0.703,1352 0.567,1353 20.217,1354 17.002,1355 14.639,1356 0.444,1357 0.287,1358 9.264,1359 13.842,1360 8.984,1361 7.484,1362 14.245,1363 9.468,1364 12.617,1365 0.274,1366 0.148,1367 11.996,1368 6.788,1369 11.23,1370 0.175,1371 0.079,1372 10.819,1373 5.068,1374 9.497,1375 0.11,1376 0.042,1377 9.345,1378 3.604,1379 7.906,1380 0.071,1381 0.023,1382 7.676,1383 2.537,1384 0.322,1385 93.491,1386 0.213,1387 27.68,1388 0.622,1389 158,1390 550.253,1391 176.656,1392 494.164,1393 672.3,1394 466,1395 189,1396 490.601,1397 209.038,1398 491.525,1399 715.78,1400 458,1401 4.315}
{0 CHEMBL1364498,1 1.65,2 10.071,3 2.609,4 6.808,5 97.93,6 9.433,7 0.375,8 3.861,9 3.92,10 3.622,11 3.464,12 5.143,13 3.499,14 4.385,15 4.469,16 4.06,17 3.873,18 5.772,19 3.905,20 4.64,21 4.762,22 4.16,23 3.984,24 5.966,25 4.02,26 4.657,27 4.757,28 4.17,29 3.914,30 6.151,31 3.966,32 4.559,33 4.672,34 4.009,35 3.803,36 5.962,37 3.852,38 4.492,39 4.586,40 4.005,41 3.695,42 6.306,43 3.755,44 4.319,45 4.443,46 3.74,47 3.62,48 5.709,49 3.634,50 4.312,51 4.447,52 3.606,53 3.473,54 5.783,55 3.505,56 0.185,57 0.564,58 4.009,59 3.504,60 22.057,61 3.136,62 0.524,63 0.962,64 8.74,65 5.909,66 44.936,67 5.56,68 0.667,69 1.247,70 15.17,71 8.151,72 81.52,73 7.723,74 1.088,75 1.178,76 15.911,77 7.856,78 113.835,79 6.778,80 0.713,81 1.018,82 14.6,83 7.352,84 98.937,85 6.379,86 1.232,87 0.937,88 14.929,89 6.622,90 178.158,91 5.564,92 0.485,93 0.821,94 11.081,95 6.058,96 60.664,97 5.863,98 0.719,99 0.827,100 13.555,101 5.728,102 107.235,103 4.551,104 17,105 48,106 0.285,107 0.642,108 0.772,109 0.857,110 0.869,111 0.869,112 3.376,113 0.809,114 -4.65,115 -4.57,116 -4.3,120 52.5,122 1,126 1,136 1,137 1,139 2,143 7,144 3,145 2,159 3,174 9,176 3,177 13,185 11,189 7,197 7,200 6,201 17,209 7,214 6,222 6,226 6,227 11,235 8,240 12,247 4,252 11,260 7,264 1,271 9,274 1126,275 18.947,276 18.947,277 18.947,278 18.947,279 18.947,280 16.739,281 22.162,282 10.786,283 19.262,284 15.787,285 15.787,286 15.787,287 15.787,288 15.787,289 12.184,290 27.86,291 5.121,292 16.297,293 3.672,294 1.61,295 0.86,296 0.369,297 0.3,298 0.3,299 4.085,305 1,306 1,307 1,308 636,309 3.082,312 41.917,313 221.013,316 147.711,317 162.321,318 91.236,320 1.301,321 50.675,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 63,333 282,334 4.749,335 3.888,336 7.188,337 4.403,338 3.432,339 4.348,340 1.674,341 12.645,342 3.328,343 4.277,344 3.672,345 6.542,346 3.903,347 2.934,348 3.8,349 1.674,350 10.263,351 2.841,352 4.149,353 3.577,354 6.044,355 3.757,356 2.767,357 3.711,358 1.2,359 8.632,360 2.736,361 3.74,362 3.122,363 6.009,364 3.444,365 2.472,366 3.04,367 0.293,368 8.328,369 2.387,370 3.683,371 2.892,372 5.424,373 3.252,374 2.301,375 2.956,377 6.775,378 2.197,379 3.582,380 2.841,381 5.026,382 3.174,383 2.183,384 2.848,386 6.01,387 2.113,388 3.279,389 2.473,390 5.011,391 2.911,392 1.953,393 2.405,395 5.752,396 1.855,397 2.976,398 1.999,399 4.81,400 2.535,401 1.579,402 2.085,404 4.944,405 1.492,406 2.836,407 1.963,408 4.114,409 2.354,410 1.355,411 1.926,413 3.332,414 1.348,415 2.734,416 1.744,417 4.033,418 2.193,419 1.205,420 1.699,422 3.127,423 1.167,424 2.5,425 1.211,426 3.843,427 2,428 1,429 1.5,431 2.507,432 1,433 2.21,434 1.052,435 3.414,436 1.963,437 0.976,438 1.118,440 2.275,441 0.958,442 1.755,443 1,444 3.284,445 1.446,446 0.454,447 0.551,449 1.208,450 0.445,451 1.422,452 0.887,453 3.11,454 0.97,455 -0.01,456 -0.012,458 -0.027,459 -0.009,460 1.169,461 0.698,462 2.796,463 0.75,464 -0.204,465 -0.268,467 -0.491,468 -0.191,469 12.852,470 0.459,471 0.819,472 0.029,473 38.75,474 1.384,475 20,476 0.714,477 18.75,478 0.67,479 20.409,480 0.729,481 28.548,482 0.714,483 31.99,484 1.142,485 7.93,486 0.283,487 5.595,488 0.2,489 0.1,491 0.459,494 1,496 0.636,497 0.951,498 0.546,499 0.945,500 0.517,501 0.788,502 0.591,503 0.945,504 0.652,505 0.947,506 0.493,507 0.866,508 0.98,509 1.02,510 0.858,511 1.036,512 0.822,513 0.933,514 1.019,515 0.838,516 0.983,517 0.945,518 1.052,519 0.943,520 1.176,521 0.881,522 1.02,523 1.087,524 1.141,525 1.017,526 0.965,527 0.634,528 0.963,529 0.77,530 0.847,531 0.842,532 0.925,533 0.956,534 0.983,535 1.177,536 0.924,537 1.138,538 1.482,539 0.866,540 1.327,541 0.87,542 1.654,543 0.972,544 5.5,545 0.102,546 3.556,547 2.438,548 2.382,549 1.212,550 0.747,551 0.544,552 0.302,553 0.213,554 9317,555 31476,556 2.155,557 30,559 10,564 2,567 1.715,568 2,569 3.247,570 -0.742,571 1,572 1,575 66.009,576 1.65,577 3.712,578 4.462,579 4.953,580 5.022,581 5.022,582 2.678,583 4.522,584 4.779,585 3.391,586 1281.67,587 8.337,588 15898.1,589 1,590 1,592 1,593 212.877,594 1.449,595 4.733,596 0.172,597 0.006,598 0.074,599 0.047,600 0.048,601 0.028,602 0.018,603 0.016,604 0.011,605 0.01,606 0.43,607 0.33,608 0.88,609 0.573,610 137.053,611 -0.039,612 -0.087,613 0.04,614 -0.052,615 -0.031,616 0.002,617 0.125,618 -0.049,619 0.062,620 -0.042,621 0.088,622 -0.027,623 -0.119,624 -0.078,625 0.038,626 -0.082,627 -0.057,628 0.012,629 0.057,630 0.049,631 -0.055,632 -0.003,633 -0.061,634 -0.052,635 -0.207,636 -0.126,637 -0.075,638 -0.14,639 -0.163,640 -0.076,641 0.263,642 0.199,643 0.027,644 0.185,645 0.349,646 0.054,647 -0.104,648 -0.195,649 -0.055,650 -0.215,651 -0.064,652 -0.151,653 -0.361,654 -0.006,655 -0.27,656 0.101,657 -0.319,658 0.007,659 2.471,660 6.062,661 0.786,662 21.944,663 1.039,664 1.109,665 3.42,666 11.697,667 0.72,668 3.497,669 3.892,670 4.248,671 4.615,672 4.934,673 5.13,674 5.308,675 5.513,676 5.656,677 5.753,678 5.761,679 0.728,680 377.34,681 3.497,682 5.081,683 5.979,684 6.905,685 7.824,686 8.758,687 9.686,688 10.625,689 11.558,690 12.501,691 2.5,698 1,709 7,714 5,716 12,726 1,737 1,738 40,739 17,740 2,741 32,743 44,744 21,745 12,746 5,747 7,748 7,752 5,753 13,763 1,766 1,768 19,769 2,772 5,778 3,780 1,782 6,785 1,786 1,787 1,789 12,790 7,792 7,797 1,803 0.4,804 5,822 1,823 4,826 2,827 2,828 1,839 1,841 1,845 3,846 1,855 2,861 1,862 28,869 2,872 2,875 1,885 1,886 12.5,889 3,891 2,893 14,894 7.593,895 5.917,896 2.451,898 2.926,899 1.35,900 1.045,901 3.711,902 11.291,903 3.784,904 4.407,905 5.017,906 5.614,907 6.174,908 6.513,909 6.846,910 7.228,911 7.585,912 7.843,913 0.857,914 52,915 10.489,917 4.882,918 8.19,919 19.074,921 16.362,924 2.69,925 75.333,928 1,929 141.253,930 134.644,931 3.124,933 97.435,934 14.96,936 134.644,937 238.688,938 18.084,940 7.765,941 75.81,942 105.009,943 46.62,944 14.96,945 141.253,947 141.253,948 137.769,949 112.395,952 132.671,953 120.977,956 7.765,957 110.041,958 19.963,960 156.213,961 100.559,962 134.644,965 141.253,966 58.834,967 78.934,969 112.395,970 141.253,971 115.519,972 134.644,973 0.599,974 0.362,975 0.207,976 0.121,977 27,978 12,979 0.068,980 3,981 4,982 1.318,983 3.834,984 271.495,985 0.364,986 21,987 130.606,993 16.905,994 6.147,995 2.608,997 115.519,998 10.287,1003 1.931,1006 391.417,1007 43,1013 37.586,1015 0.975,1017 -1.985,1020 41.553,1021 44.376,1022 0.31,1023 0.697,1024 0.838,1025 0.931,1026 0.944,1027 0.944,1028 5.069,1029 1.579,1030 5.999,1031 5.752,1032 4.575,1033 5.094,1034 2.714,1035 6.897,1036 4.513,1037 6.304,1038 1.355,1039 7.609,1040 4.944,1041 4.29,1042 4.987,1043 0.325,1044 7.949,1045 4.198,1046 7.641,1047 1.205,1048 9.32,1049 3.332,1050 6.248,1051 7.287,1052 3.583,1053 11.126,1054 6.127,1055 9.012,1056 1,1057 11.089,1058 3.127,1059 6.77,1060 7.962,1061 0.653,1062 13.026,1063 6.62,1064 10.414,1065 0.976,1066 12.897,1067 2.507,1068 8.228,1069 9.768,1070 4.542,1071 15.749,1072 8.05,1073 11.839,1074 0.454,1075 14.733,1076 2.275,1077 9.121,1078 10.815,1079 1.001,1080 18.009,1081 8.913,1082 13.283,1083 -0.01,1084 16.591,1085 1.208,1086 10.4,1087 12.418,1088 5.539,1089 20.589,1090 10.164,1091 3.432,1092 -0.204,1093 18.465,1094 -0.027,1095 11.465,1096 13.655,1097 1.37,1098 23.003,1099 11.199,1100 2.934,1101 12.645,1102 20.353,1103 -0.491,1104 12.685,1105 15.169,1106 6.555,1107 25.541,1108 12.39,1109 2.767,1110 10.263,1111 22.252,1112 4.348,1113 13.831,1114 16.505,1115 1.754,1116 28.02,1117 13.503,1118 2.472,1119 8.632,1120 24.161,1121 3.8,1122 15.038,1123 17.981,1124 7.578,1125 30.548,1126 14.68,1127 2.301,1128 8.328,1129 26.078,1130 3.711,1131 16.222,1132 19.371,1133 2.143,1134 33.056,1135 15.831,1136 2.183,1137 6.775,1138 28.001,1139 3.04,1140 17.43,1141 20.831,1142 8.606,1143 35.584,1144 17.009,1145 1.953,1146 6.01,1147 29.931,1148 2.956,1149 18.633,1150 22.251,1151 2.535,1152 38.106,1153 18.18,1154 8644,1155 16033,1156 21.501,1157 28.784,1158 50.159,1159 52.882,1160 51.703,1161 49.32,1162 49.224,1163 63.976,1164 9.683,1165 151.598,1166 47.733,1167 5.713,1168 5.888,1169 6.714,1170 5.497,1171 5.432,1172 7.348,1173 3.349,1174 20.645,1175 5.328,1176 13.298,1177 1.567,1178 1.653,1179 1.616,1180 1.541,1181 1.538,1182 1.999,1183 0.303,1184 4.737,1185 1.492,1186 4.095,1187 4.114,1188 4.065,1189 4.006,1190 8.201,1191 4.016,1192 3.921,1193 3.94,1194 3.877,1195 3.842,1196 7.438,1197 3.845,1198 3.736,1199 3.738,1200 3.697,1201 3.615,1202 7.43,1203 3.632,1204 3.432,1205 3.485,1206 3.343,1207 3.278,1208 7.426,1209 3.278,1210 3.282,1211 3.272,1212 3.266,1213 3.083,1214 4.833,1215 3.114,1216 3.215,1217 3.21,1218 3.154,1219 2.986,1220 4.636,1221 3.035,1222 2.854,1223 2.925,1224 2.787,1225 2.735,1226 4.549,1227 2.715,1228 2.835,1229 2.841,1230 2.687,1231 2.633,1232 4.245,1233 2.668,1234 0.148,1235 0.121,1236 0.225,1237 0.138,1238 0.107,1239 4.749,1240 0.136,1241 3.888,1242 0.052,1243 7.188,1244 0.395,1245 4.403,1246 0.104,1247 3.432,1248 4.348,1249 1.674,1250 12.645,1251 3.328,1252 1.965,1253 1.955,1254 2.026,1255 2.063,1256 1.218,1257 2.045,1258 1.887,1259 1.868,1260 1.983,1261 1.983,1262 1.084,1263 1.982,1264 1.694,1265 1.678,1266 1.817,1267 1.831,1268 1.054,1269 1.829,1270 1.45,1271 1.401,1272 1.64,1273 1.67,1274 0.764,1275 1.656,1276 1.108,1277 1.092,1278 1.26,1279 1.367,1280 0.359,1281 1.303,1282 1.067,1283 1.064,1284 1.181,1285 1.316,1286 0.26,1287 1.273,1288 0.887,1289 0.845,1290 1.139,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.095,1297 1.048,1298 0.133,1299 1.062,1300 4.174,1302 5.549,1303 2.398,1304 7.128,1305 4.727,1306 8.811,1307 6.88,1308 10.553,1312 13.078,1315 1.187,1318 10.673,1321 1.599,1326 29.14,1327 66.009,1328 148.471,1329 178.471,1330 198.122,1331 200.877,1332 200.877,1333 61.264,1334 8.365,1335 78.51,1336 78.51,1337 29,1338 12.996,1339 4.17,1340 3.585,1341 37.5,1342 96,1343 118,1344 0.193,1345 171.015,1346 320.24,1347 409.037,1348 51110,1349 2.5,1350 19.413,1351 0.693,1352 0.514,1353 18.543,1354 14.399,1355 13.525,1356 0.423,1357 0.27,1358 8.479,1359 12.88,1360 8.383,1361 6.825,1362 13.131,1363 8.628,1364 12.843,1365 0.268,1366 0.136,1367 12.221,1368 6.55,1369 11.307,1370 0.164,1371 0.071,1372 10.896,1373 4.906,1374 10.151,1375 0.102,1376 0.037,1377 9.999,1378 3.667,1379 8.67,1380 0.063,1381 0.019,1382 8.459,1383 2.582,1384 0.294,1385 85.918,1386 0.216,1387 26.045,1388 0.561,1389 160,1390 610.434,1391 181.857,1392 548.449,1393 737.06,1394 510,1395 197,1396 540.309,1397 218.025,1398 531.461,1399 795.52,1400 502,1401 4.653}
{0 CHEMBL1364999,1 1.742,2 5.2,3 1.349,4 1.82,5 53.653,6 8.878,7 0.688,8 3.282,9 3.375,10 2.987,11 2.82,12 4.637,13 2.834,14 3.736,15 3.853,16 3.34,17 3.185,18 5.228,19 3.201,20 3.951,21 4.095,22 3.448,23 3.28,24 5.33,25 3.309,26 4.051,27 4.208,28 3.349,29 3.166,30 5.516,31 3.199,32 3.841,33 3.997,34 3.108,35 2.856,36 5.431,37 2.899,38 3.633,39 3.819,40 2.352,41 2.339,42 5.467,43 2.299,44 2.601,45 2.942,46 0.476,47 1.357,48 3.401,49 1.07,50 1.298,51 1.682,52 0.021,53 0.361,54 1.386,55 0.189,56 0.162,57 0.343,58 3.141,59 1.876,60 7.967,61 2.125,62 0.241,63 0.515,64 5.963,65 3.185,66 47.755,67 3.621,68 0.271,69 0.628,70 8.012,71 3.517,72 29.628,73 3.875,74 0.465,75 0.604,76 10.934,77 3.946,78 79.581,79 4.064,80 0.438,81 0.468,82 8.709,83 2.862,84 47.538,85 2.937,86 0.589,87 0.29,88 9.659,89 2.617,90 124.638,91 2.637,92 0.131,93 0.103,94 4.465,95 1.15,96 23.952,97 1.803,98 0.027,99 0.021,100 1.288,101 0.27,102 4.66,103 0.535,104 18,105 23,106 0.347,107 0.617,108 0.724,109 0.825,110 0.842,111 0.842,112 2.798,113 0.82,114 -1.54,115 -1.61,116 -1.65,120 43.5,121 1,143 5,144 1,145 1,147 2,167 3,174 4,176 1,177 6,185 6,189 11,197 3,200 1,201 8,209 4,213 3,214 8,222 3,226 2,227 2,235 1,274 172,275 9.759,276 9.759,277 9.759,278 9.759,279 9.759,280 7.997,281 7.484,282 5.625,283 9.908,284 7.847,285 7.847,286 7.847,287 7.847,288 7.847,289 5.25,290 8.233,291 2.611,292 8.058,293 2.781,294 1.423,295 0.885,296 0.381,297 0.294,298 0.294,299 3.436,306 1,307 1,308 159,309 2.345,313 62.256,317 53.728,320 0.64,321 24.285,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 34,333 78,334 4.724,335 3.819,336 6.831,337 4.197,338 3.226,339 4.796,340 2.612,341 11.25,342 3.133,343 4.09,344 3.441,345 6.027,346 3.494,347 2.54,348 3.774,350 8.244,351 2.417,352 3.723,353 2.572,354 5.452,355 3.219,356 2.235,357 3.27,359 6.667,360 2.196,361 3.17,362 2.134,363 4.43,364 2.508,365 1.521,366 2.436,368 3.925,369 1.499,370 2.902,371 1.579,372 3.668,373 2.397,374 1.399,375 2.091,377 3.016,378 1.396,379 2.47,380 1.275,381 3.558,382 1.885,383 0.89,384 1.392,386 2.18,387 0.885,388 1.928,389 1,390 3.065,391 1.347,392 0.352,393 0.516,395 0.833,396 0.35,397 1.039,398 0.948,399 2.593,400 0.548,401 -0.442,402 -0.639,404 -1.128,405 -0.436,406 1,407 -0.222,408 2,409 0.159,410 -0.832,411 -1.172,413 -2,414 -0.823,415 0.691,416 -0.484,417 1.776,419 -1,420 -1.402,422 -2.018,423 -0.985,424 0.401,425 -0.809,426 1.684,427 -0.013,428 -1,429 -2,431 -2.542,432 -1,433 0.127,434 -0.986,435 1.33,436 -0.415,437 -1.375,438 -2.02,440 -3.796,441 -1.317,442 -0.27,443 -1.5,444 1.182,445 -0.737,446 -1.708,447 -2.457,449 -5.269,450 -1.642,451 -0.496,452 -1.687,453 1.083,454 -0.85,455 -1.807,456 -2.586,458 -5.501,459 -1.729,460 -0.5,461 -2,462 1,463 -1,464 -2,465 -3,466 -0.612,467 -6.312,468 -1.944,469 6.8,470 0.453,471 0.477,472 0.032,473 23.5,474 1.567,475 14,476 0.933,477 9.5,478 0.633,479 7.319,480 0.488,481 16,482 0.696,483 15.024,484 1.002,485 4.701,486 0.313,487 2.408,488 0.161,489 0.221,491 0.412,496 0.233,497 0.987,498 0.57,499 0.863,500 0.469,501 0.854,502 0.478,503 1.221,504 0.587,505 1.043,506 0.425,507 0.898,508 0.834,509 1.199,510 0.821,511 1.08,512 0.637,513 0.95,514 1.32,515 1.063,516 1.107,517 1.069,518 1.307,519 1.029,520 1.298,521 0.987,522 1.255,523 1.139,524 1.343,525 1.162,526 1.746,527 0.66,528 1.672,529 0.866,530 1.858,531 1.183,532 0.712,533 0.508,534 0.99,535 0.688,536 0.784,537 0.899,544 3,546 2.222,547 1.438,548 1.338,549 0.5,550 0.12,554 1298,555 5242,556 1.955,557 34.8,559 5,563 3,567 1.542,568 1.765,569 2.458,570 -0.651,574 1,575 40.068,576 1.742,577 3.101,578 3.638,579 4.143,580 4.23,581 4.23,582 1.522,583 3.24,584 3.883,585 2.461,586 258.406,587 6.556,588 2137.12,590 1,593 104.042,594 1.566,595 3.796,596 0.188,598 0.097,599 0.058,600 0.064,601 0.033,602 0.024,606 0.463,607 0.67,608 1,609 1.029,610 56.328,611 0.351,612 0.177,613 0.071,614 0.119,615 0.011,616 0.001,617 0.164,618 -0.177,619 0.162,620 -0.03,621 0.185,622 0.041,623 -0.12,624 -0.132,625 -0.011,626 -0.135,627 0.008,628 -0.041,629 -0.259,630 -0.126,631 -0.132,632 -0.131,633 -0.217,634 -0.098,635 -0.121,636 -0.021,637 -0.258,638 -0.256,639 -0.159,640 -0.288,641 -0.155,642 0.049,643 -0.404,644 0.081,645 -0.088,646 -0.177,647 0.102,648 0.127,649 0.494,650 0.357,651 0.005,652 0.504,653 0.557,654 0.549,655 1.784,656 1.091,657 0.435,658 1.688,659 2.477,660 4.597,661 0.667,662 7.093,663 1.036,664 1.125,665 0.31,666 0.096,667 0.681,668 2.833,669 3.178,670 3.466,671 3.714,672 3.951,673 3.871,674 3.738,675 3.497,676 3.367,677 2.89,678 3.414,679 0.686,680 204.2,681 2.833,682 4.369,683 5.231,684 6.125,685 7.013,686 7.91,687 8.804,688 9.702,689 10.597,690 11.495,691 8.7,702 2,708 2,709 5,714 2,716 11,731 1,738 23,739 14,740 1,741 16,743 24,744 10,745 9,746 2,747 4,752 2,753 3,759 1,768 9,769 1,772 3,775 1,778 3,786 1,789 8,790 3,792 5,797 2,803 0.5,804 3,816 1,823 2,827 1,855 1,859 1,862 15,886 13,892 3,893 8.5,894 4.567,895 3.306,896 1.292,898 2.695,899 1.46,900 0.959,901 2.194,902 8.556,903 3.239,904 3.961,905 4.62,906 5.259,907 5.889,908 6.226,909 6.468,910 6.639,911 6.917,912 6.795,913 0.5,914 25,915 5.514,916 -0.001,917 2.401,918 8.411,919 9.889,921 7.884,924 2.911,925 43.667,926 0.001,929 94.169,930 66.437,931 8.842,933 76.12,936 66.437,937 170.289,938 8.842,939 17.667,941 47.381,943 10.231,945 94.169,946 76.12,947 94.169,948 75.279,949 76.12,952 94.169,954 76.12,956 13.726,957 52.711,958 8.842,960 94.169,961 84.962,962 66.437,965 94.169,966 10.231,967 65.048,969 76.12,970 94.169,971 84.962,972 66.437,973 0.592,974 0.36,975 0.195,976 0.114,977 12,978 6,979 0.042,980 1,981 1,982 1.2,983 2.565,984 101.093,985 0.2,986 10,987 56.603,993 9.714,994 3.387,995 1.479,996 0.687,997 76.12,998 7.781,1003 0.288,1006 245.568,1007 24.5,1010 -0.477,1013 33.143,1020 23.836,1021 25.87,1022 0.385,1023 0.685,1024 0.804,1025 0.916,1026 0.935,1027 0.935,1028 4.451,1029 -0.442,1030 5.252,1031 0.833,1032 3.85,1033 4.644,1034 2.501,1035 6.12,1036 3.798,1037 5.727,1038 -0.832,1039 6.86,1040 -1.128,1041 3.611,1042 4.783,1043 2.361,1044 7.168,1045 3.51,1046 7.087,1047 -1,1048 8.572,1049 -2,1050 5.493,1051 7.079,1052 4.154,1053 10.301,1054 5.376,1055 8.489,1056 -1,1057 10.343,1058 -2.018,1059 6.043,1060 8.021,1061 4.506,1062 12.145,1063 5.876,1064 9.921,1065 -1.375,1066 12.15,1067 -2.542,1068 7.461,1069 9.837,1070 5.948,1071 14.821,1072 7.278,1073 11.376,1074 -1.708,1075 13.981,1076 -3.796,1077 8.356,1078 11.128,1079 6.556,1080 16.99,1081 8.131,1082 12.849,1083 -1.807,1084 15.828,1085 -5.269,1086 9.606,1087 12.774,1088 7.794,1089 19.507,1090 9.361,1091 3.226,1092 -2,1093 17.688,1094 -5.501,1095 10.654,1096 14.219,1097 8.548,1098 21.817,1099 10.373,1100 2.54,1101 11.25,1102 19.557,1103 -6.312,1104 11.844,1105 15.806,1106 9.67,1107 24.274,1108 11.54,1109 2.235,1110 8.244,1111 21.434,1112 4.796,1113 12.959,1114 17.318,1115 10.509,1116 26.645,1117 12.622,1118 1.521,1119 6.667,1120 23.317,1121 3.774,1122 14.13,1123 18.887,1124 11.563,1125 29.079,1126 13.768,1127 1.399,1128 3.925,1129 25.206,1130 3.27,1131 15.274,1132 20.428,1133 12.452,1134 31.477,1135 14.882,1136 0.89,1137 3.016,1138 27.098,1139 2.436,1140 16.441,1141 21.992,1142 13.468,1143 33.903,1144 16.022,1145 0.352,1146 2.18,1147 28.995,1148 2.091,1149 17.599,1150 23.547,1151 14.386,1152 36.313,1153 17.151,1154 1401,1155 2893,1156 10.057,1157 15.659,1158 24.577,1159 26.457,1160 25.811,1161 24.356,1162 24.326,1163 36.551,1164 5.225,1165 72.231,1166 23.753,1167 5.224,1168 5.819,1169 6.51,1170 5.236,1171 5.226,1172 7.796,1173 4.612,1174 18.8,1175 5.133,1176 8.327,1177 1.536,1178 1.654,1179 1.613,1180 1.522,1181 1.52,1182 2.284,1183 0.327,1184 4.514,1185 1.485,1186 4.184,1187 4.212,1188 4.161,1189 4.054,1190 7.815,1191 4.072,1192 3.641,1193 3.666,1194 3.627,1195 3.464,1196 7.469,1197 3.468,1198 3.562,1199 3.606,1200 3.484,1201 3.165,1202 6.999,1203 3.254,1204 3.038,1205 3.117,1206 2.905,1207 2.813,1208 4.796,1209 2.813,1210 2.91,1211 2.959,1212 2.759,1213 2.649,1214 4.277,1215 2.699,1216 2.583,1217 2.651,1218 2.431,1219 2.348,1220 3.766,1221 2.347,1222 2.458,1223 2.519,1224 2.265,1225 2.146,1226 3.609,1227 2.209,1228 1.563,1229 1.73,1230 1.331,1231 1.229,1232 3.243,1233 1.192,1234 0.295,1235 0.239,1236 0.427,1237 0.262,1238 0.202,1239 4.724,1240 0.3,1241 3.819,1242 0.163,1243 6.831,1244 0.703,1245 4.197,1246 0.196,1247 3.226,1248 4.796,1249 2.612,1250 11.25,1251 3.133,1252 2.098,1253 2.074,1254 2.159,1255 2.257,1256 1.291,1257 2.221,1258 1.568,1259 1.526,1260 1.758,1261 1.816,1262 0.826,1263 1.737,1264 1.318,1265 1.28,1266 1.461,1267 1.712,1268 0.487,1269 1.665,1270 0.994,1271 0.919,1272 1.238,1273 1.292,1274 0.263,1275 1.298,1276 0.816,1277 0.772,1278 1.006,1279 1.093,1281 1.095,1282 0.551,1283 0.476,1284 0.862,1285 0.825,1287 0.838,1288 0.344,1289 0.298,1290 0.566,1291 0.669,1293 0.672,1296 0.299,1297 0.048,1299 0.146,1300 3.497,1302 4.828,1304 6.382,1306 8.042,1308 9.76,1310 1.548,1326 15.768,1327 40.068,1328 71.313,1329 83.677,1330 95.287,1331 97.287,1332 97.287,1333 29.825,1334 5.861,1335 71.28,1336 71.28,1337 12,1338 12.019,1339 3.907,1340 3.248,1341 23.265,1342 32,1343 23,1344 0.412,1345 99.92,1346 167.57,1347 235.565,1348 1916,1350 11,1351 0.733,1352 0.534,1353 11,1354 8.006,1355 7.109,1356 0.444,1357 0.273,1358 4.296,1359 6.695,1360 4.185,1361 3.494,1362 7.109,1363 4.373,1364 6.592,1365 0.287,1366 0.141,1367 6.592,1368 3.24,1369 5.498,1370 0.177,1371 0.073,1372 5.498,1373 2.261,1374 4.38,1375 0.109,1376 0.039,1377 4.38,1378 1.543,1379 3.749,1380 0.074,1381 0.021,1382 3.749,1383 1.053,1384 0.583,1385 45.752,1386 0.315,1387 14.489,1388 1.336,1389 78,1390 310.497,1391 88.695,1392 295.164,1393 385.07,1394 268,1395 93,1396 286.16,1397 104.308,1398 280.165,1399 402.35,1400 261,1401 5.197}
{0 CHEMBL1365249,1 1.492,2 9.923,3 3.713,4 13.787,5 98.817,6 7.575,7 0.444,8 3.888,9 3.985,10 3.456,11 3.47,12 5.128,13 3.445,14 4.395,15 4.552,16 3.746,17 3.823,18 5.462,19 3.778,20 4.611,21 4.763,22 3.917,23 4.008,24 5.824,25 3.951,26 4.77,27 4.957,28 3.906,29 4.055,30 6,31 3.974,32 4.83,33 5.048,34 3.875,35 4.021,36 6.042,37 3.942,38 4.693,39 4.891,40 3.878,41 3.928,42 6.091,43 3.873,44 4.645,45 4.847,46 3.803,47 3.865,48 5.977,49 3.801,50 4.589,51 4.828,52 3.643,53 3.77,54 5.886,55 3.67,56 0.01,57 0.579,58 8.456,59 4.373,60 12.601,61 5.334,62 0.169,63 0.906,64 16.508,65 7.23,66 32.184,67 8.929,68 0.243,69 1.152,70 20.048,71 8.757,72 51.093,73 11.021,74 0.233,75 1.333,76 24.895,77 10.25,78 74.953,79 13.173,80 0.373,81 1.373,82 28.572,83 10.48,84 83.488,85 13.625,86 0.345,87 1.227,88 23.937,89 8.869,90 104.913,91 11.53,92 0.451,93 1.154,94 23.208,95 8.532,96 83.797,97 11.165,98 0.35,99 1.121,100 22.268,101 8.24,102 71.786,103 11.597,104 54,105 36,106 0.255,107 0.574,108 0.725,109 0.791,110 0.808,111 0.816,112 3.304,113 0.905,114 -3.55,115 -3.53,116 -3.36,120 45.7,121 1,122 1,123 2,125 2,143 7,144 3,145 2,158 1,159 2,174 13,177 6,185 16,188 1,189 9,197 14,200 1,201 11,209 9,214 10,222 9,226 2,227 8,235 11,239 3,240 5,247 9,251 3,252 7,260 6,264 6,271 3,274 1140,275 17.618,276 17.618,277 17.618,278 17.618,279 17.618,280 15.791,281 18.424,282 10.236,283 17.952,284 13.007,285 13.007,286 13.007,287 13.007,288 13.007,289 10.006,290 16.425,291 4.446,292 13.346,293 4.031,294 2.161,295 1.275,296 0.892,297 0.788,298 0.745,299 3.965,305 1,306 1,307 1,308 522,309 4.062,313 200.029,320 1.32,321 31.868,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56,333 258,334 4.353,335 4.36,336 6.54,337 4.074,338 3.08,339 3.944,340 3.164,341 10.333,342 3.069,343 4.182,344 3.893,345 6.123,346 3.813,347 2.823,348 3.757,349 1.684,350 8.944,351 2.812,352 4.03,353 3.621,354 5.995,355 3.671,356 2.697,357 3.232,358 1.277,359 8.465,360 2.592,361 3.663,362 3.244,363 5.16,364 3.273,365 2.262,366 2.982,367 0.86,368 6.016,369 2.284,370 3.56,371 2.972,372 5.022,373 3.005,374 2.025,375 2.652,376 0.86,377 5.981,378 1.977,379 3.303,380 2.588,381 4.386,382 2.521,383 1.61,384 2.057,386 4.15,387 1.461,388 2.919,389 2.267,390 4.255,391 2.448,392 1.433,393 1.91,395 3.875,396 1.45,397 2.882,398 2.165,399 3.704,400 2,401 1,402 1.5,404 2.275,405 1,406 2.584,407 1.886,408 3.414,409 1.905,410 0.912,411 1.303,413 2.175,414 0.897,415 2.5,416 1.33,417 3.025,418 1.547,419 0.618,420 1.211,422 1.127,423 0.572,424 1.898,425 1,426 2.664,427 1.526,428 0.615,429 0.74,431 0.791,432 0.555,433 1.597,434 0.998,435 2.618,436 1.182,437 0.33,438 0.36,440 0.439,441 0.279,442 1.436,443 0.932,444 2.514,445 0.806,446 -0.179,447 -0.231,449 -0.311,450 -0.175,451 1.114,452 0.366,453 2.361,454 0.656,455 -0.328,456 -0.543,458 -0.552,459 -0.316,460 0.847,461 0.187,462 2.107,463 0.499,464 -0.458,465 -0.563,467 -0.862,468 -0.432,469 12.3,470 0.473,471 0.554,472 0.021,473 35.75,474 1.375,475 20.5,476 0.788,477 15.25,478 0.587,479 19.846,480 0.763,481 27.3,482 0.593,483 28.251,484 1.087,485 7.175,486 0.276,487 5.357,488 0.206,489 0.214,491 0.325,496 0.712,497 1.113,498 0.764,499 1.102,500 0.49,501 0.973,502 1.086,503 0.845,504 0.856,505 0.865,506 0.597,507 0.838,508 0.884,509 1.11,510 0.995,511 1.122,512 0.922,513 1.088,514 0.989,515 1.14,516 1.065,517 1.176,518 1.017,519 1.146,520 1.241,521 0.947,522 1.004,523 0.91,524 1.183,525 0.918,526 1.102,527 1.036,528 0.949,529 0.978,530 1.105,531 0.945,532 1.018,533 0.991,534 0.939,535 0.93,536 1.099,537 0.927,538 0.505,539 1.064,540 0.838,541 1.011,542 0.831,543 0.98,544 5.5,545 0.07,546 3.556,547 1.688,548 1.596,549 1.264,550 0.65,551 0.479,552 0.369,553 0.184,554 6635,555 20456,556 1.931,557 43.5,558 4,559 13,563 3,567 1.698,568 1.773,569 3.254,570 -0.798,572 1,575 68.652,576 1.492,577 3.363,578 4.248,579 4.632,580 4.735,581 4.779,582 2.68,583 4.056,584 4.67,585 3.393,586 1102.64,587 8.133,588 13729.2,590 1,592 1,593 254.084,594 1.526,595 4.606,596 0.204,597 0.006,598 0.099,599 0.041,600 0.041,601 0.033,602 0.017,603 0.014,604 0.013,605 0.009,606 0.476,607 0.33,608 1,609 1.265,610 125.974,611 -0.004,612 -0.064,613 0.034,614 -0.059,615 0.042,616 -0.014,617 -0.11,618 0.132,619 0.054,620 0.16,621 -0.042,622 0.138,623 0.031,624 -0.102,625 -0.102,626 -0.115,627 -0.054,628 -0.127,629 -0.059,630 -0.157,631 -0.127,632 -0.185,633 -0.032,634 -0.173,635 -0.137,636 0.016,637 0.001,638 0.063,639 -0.067,640 0.056,641 0.009,642 -0.031,643 0.034,644 -0.016,645 0.152,646 0.006,647 0.124,648 -0.004,649 0.055,650 0.036,651 0.06,652 0.03,653 0.277,654 -0.069,655 0.145,656 -0.045,657 0.151,658 0.014,659 2.275,660 5.679,661 0.462,662 21.846,663 1.003,664 1.117,665 2.323,666 5.394,667 0.679,668 3.332,669 3.611,670 3.871,671 4.043,672 4.234,673 4.263,674 4.277,675 4.277,676 4.234,677 4.007,678 5.87,679 0.651,680 348.43,681 3.332,682 4.844,683 5.68,684 6.538,685 7.394,686 8.259,687 9.121,688 9.989,689 10.854,690 11.723,691 4.3,700 2,709 7,714 5,716 12,721 1,735 2,738 46,739 15,740 2,741 27,743 47,744 21,745 12,746 5,747 7,748 1,752 2,753 2,759 1,766 1,767 2,768 13,769 6,770 2,772 1,778 1,782 1,786 1,789 20,790 5,792 5,797 2,803 1,804 3,823 2,833 2,855 2,859 3,862 26,869 1,872 2,874 2,877 2,882 2,884 2,886 6.5,889 1,891 2,893 14.667,894 9.4,895 6.194,896 2.586,898 2.022,899 1.307,900 0.91,901 6.645,902 8.606,903 3.664,904 4.143,905 4.677,906 5.155,907 5.616,908 5.75,909 5.904,910 6.079,911 6.31,912 6.268,913 0.857,914 41,915 9.596,917 3.963,918 8.006,919 17.796,921 13.879,924 2.506,925 65.167,928 1,929 235.422,930 157.84,931 62.119,933 47.145,936 157.84,937 282.567,938 62.119,939 30.591,940 2.535,941 66.334,942 63.482,943 104.162,945 235.422,947 235.422,948 219.959,949 47.145,952 235.422,953 47.145,956 73.478,957 146.48,960 235.422,961 109.263,962 157.84,965 235.422,966 27.712,967 96.925,968 33.203,969 109.263,970 235.422,971 109.263,972 157.84,973 0.563,974 0.353,975 0.184,976 0.098,977 14,978 8,979 0.149,980 7,982 1,983 3.58,984 207.651,986 12,987 114.211,993 19.352,994 8.928,995 4.568,997 109.263,998 12.441,1003 3.356,1006 502.526,1007 38,1013 12.679,1017 -0.111,1020 46.138,1021 51.362,1022 0.27,1023 0.609,1024 0.769,1025 0.839,1026 0.857,1027 0.865,1028 4.898,1029 1,1030 5.659,1031 3.875,1032 4.29,1033 4.828,1034 3.494,1035 6.457,1036 4.254,1037 6.106,1038 0.912,1039 7.222,1040 2.275,1041 3.892,1042 4.527,1044 7.391,1045 3.867,1046 7.404,1047 0.618,1048 8.883,1049 2.175,1050 5.878,1051 6.938,1052 5.416,1053 10.433,1054 5.824,1055 8.732,1056 0.615,1057 10.6,1058 1.127,1059 6.293,1060 7.44,1062 12.156,1063 6.243,1064 10.086,1065 0.33,1066 12.353,1067 0.791,1068 7.738,1069 9.309,1070 7.632,1071 14.723,1072 7.674,1073 11.457,1074 -0.179,1075 14.129,1076 0.439,1077 8.514,1078 10.187,1080 16.768,1081 8.448,1082 12.843,1083 -0.328,1084 15.921,1085 -0.311,1086 9.746,1087 11.818,1088 9.915,1089 19.17,1090 9.673,1091 3.08,1092 -0.458,1093 17.726,1094 -0.552,1095 10.69,1096 12.895,1098 21.358,1099 10.613,1100 2.823,1101 10.333,1102 19.54,1103 -0.862,1104 11.836,1105 14.406,1106 12.213,1107 23.699,1108 11.756,1109 2.697,1110 8.944,1111 21.361,1112 3.944,1113 12.86,1114 15.595,1116 25.953,1117 12.776,1118 2.262,1119 8.465,1120 23.188,1121 3.757,1122 13.973,1123 17.04,1124 14.516,1125 28.274,1126 13.887,1127 2.025,1128 6.016,1129 25.021,1130 3.232,1131 15.035,1132 18.296,1134 30.56,1135 14.946,1136 1.61,1137 5.981,1138 26.857,1139 2.982,1140 16.137,1141 19.704,1142 16.819,1143 32.877,1144 16.047,1145 1.433,1146 4.15,1147 28.697,1148 2.652,1149 17.219,1150 21,1152 35.181,1153 17.126,1154 6854,1155 12124,1156 17.107,1157 31.228,1158 41.219,1159 45.143,1160 41.913,1161 38.642,1162 38.811,1163 51.296,1164 15.691,1165 109.141,1166 37.898,1167 5.243,1168 6.36,1169 6.158,1170 5.074,1171 5.08,1172 6.944,1173 6.328,1174 17.116,1175 5.069,1176 16.022,1177 1.527,1178 1.672,1179 1.552,1180 1.431,1181 1.437,1182 1.9,1183 0.581,1184 4.042,1185 1.404,1186 4.008,1187 4.029,1188 3.954,1189 3.938,1190 7.427,1191 3.938,1192 3.906,1193 3.927,1194 3.85,1195 3.844,1196 6.851,1197 3.842,1198 3.667,1199 3.7,1200 3.611,1201 3.544,1202 6.782,1203 3.554,1204 3.409,1205 3.447,1206 3.339,1207 3.252,1208 4.929,1209 3.266,1210 3.247,1211 3.314,1212 3.095,1213 3.008,1214 4.713,1215 3.018,1216 3.241,1217 3.304,1218 3.05,1219 2.951,1220 4.496,1221 2.959,1222 3.064,1223 3.154,1224 2.915,1225 2.876,1226 4.318,1227 2.859,1228 2.912,1229 2.981,1230 2.851,1231 2.735,1232 3.875,1233 2.715,1234 0.161,1235 0.161,1236 0.242,1237 0.151,1238 0.114,1239 4.353,1240 0.146,1241 4.36,1242 0.117,1243 6.54,1244 0.383,1245 4.074,1246 0.114,1247 3.08,1248 3.944,1249 3.164,1250 10.333,1251 3.069,1252 1.966,1253 1.946,1254 2.073,1255 2.056,1256 1.321,1257 2.061,1258 1.902,1259 1.881,1260 2.011,1261 1.988,1262 1.134,1263 1.996,1264 1.627,1265 1.596,1266 1.768,1267 1.782,1268 0.925,1269 1.777,1270 1.358,1271 1.319,1272 1.576,1273 1.547,1274 0.642,1275 1.546,1276 1.196,1277 1.129,1278 1.568,1279 1.523,1280 0.574,1281 1.539,1282 1.19,1283 1.114,1284 1.54,1285 1.477,1286 0.563,1287 1.501,1288 1.085,1289 1,1290 1.391,1291 1.315,1292 0.456,1293 1.354,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.007,1302 5.293,1304 6.79,1306 8.376,1308 10.007,1310 4.992,1315 0.06,1318 10.525,1320 -1.499,1324 18.73,1325 3.994,1326 29.928,1327 68.652,1328 154.675,1329 195.413,1330 213.064,1331 217.819,1332 219.819,1333 75.426,1334 6.583,1335 83.11,1336 83.11,1337 12,1338 12.268,1339 4,1340 3.585,1341 54.538,1342 86,1343 104,1344 0.298,1345 190.799,1346 344.67,1347 457.309,1348 5001,1350 19.104,1351 0.735,1352 0.578,1353 19.104,1354 15.022,1355 12.532,1356 0.464,1357 0.302,1358 8.034,1359 12.071,1360 7.708,1361 6.477,1362 12.532,1363 8.147,1364 10.383,1365 0.288,1366 0.165,1367 10.383,1368 5.95,1369 8.998,1370 0.191,1371 0.091,1372 8.998,1373 4.295,1374 6.93,1375 0.124,1376 0.05,1377 6.93,1378 2.777,1379 5.313,1380 0.078,1381 0.028,1382 5.313,1383 1.871,1384 0.456,1385 78.707,1386 0.242,1387 24.795,1388 0.852,1389 126,1390 416.497,1391 135.248,1392 403.216,1393 527.15,1394 374,1395 146,1396 357.544,1397 155.416,1398 369.728,1399 523.87,1400 342,1401 5.257}
{0 CHEMBL1365290,1 1.584,2 10,3 3.482,4 12.127,5 93.587,6 8.204,7 0.407,8 3.821,9 3.915,10 3.461,11 3.379,12 5.063,13 3.385,14 4.303,15 4.437,16 3.832,17 3.734,18 5.576,19 3.727,20 4.497,21 4.639,22 3.881,23 3.834,24 5.789,25 3.823,26 4.59,27 4.754,28 3.876,29 3.804,30 6.167,31 3.774,32 4.568,33 4.791,34 3.678,35 3.707,36 5.787,37 3.665,38 4.366,39 4.533,40 3.675,41 3.607,42 5.7,43 3.603,44 4.378,45 4.526,46 3.664,47 3.558,48 5.854,49 3.554,50 4.314,51 4.485,52 3.448,53 3.424,54 5.686,55 3.41,56 0.073,57 0.558,58 6.638,59 3.585,60 6.767,61 4.07,62 0.33,63 0.878,64 12.827,65 5.887,66 21.462,67 7.141,68 0.301,69 1.026,70 16.315,71 7.04,72 37.25,73 8.041,74 0.651,75 1.089,76 19.569,77 7.694,78 108.392,79 9.432,80 0.488,81 1.058,82 22.27,83 7.577,84 68.44,85 9.534,86 0.334,87 0.875,88 15.759,89 5.965,90 46.179,91 6.859,92 0.639,93 0.841,94 16.332,95 5.927,96 75.744,97 6.542,98 0.435,99 0.794,100 15.901,101 5.453,102 66.321,103 5.888,104 26,105 38,106 0.276,107 0.631,108 0.772,109 0.859,110 0.867,111 0.893,112 3.267,113 0.851,114 -3.76,115 -3.72,116 -3.54,120 46.3,121 2,136 3,137 1,143 5,144 2,145 1,152 1,153 1,159 2,160 1,174 10,176 2,177 8,180 3,182 1,185 11,189 6,194 1,197 9,200 4,201 11,204 1,206 3,209 5,214 10,219 3,222 6,227 7,232 2,235 7,239 3,240 8,243 1,245 2,247 7,252 5,257 1,260 5,263 1,264 4,271 5,274 926,275 16.552,276 16.552,277 16.552,278 16.552,279 16.552,280 14.422,281 15.281,282 9.637,283 16.644,284 13.263,285 13.263,286 13.263,287 13.263,288 13.263,289 9.981,290 18.151,291 4.53,292 13.374,293 3.773,294 1.736,295 0.924,296 0.427,297 0.378,298 0.232,299 3.941,305 1,306 1,307 1,308 530,309 2.739,312 76.639,313 168.701,320 1.6,321 34.855,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 55,333 250,334 4.509,335 3.991,336 6.891,337 4.221,338 3.247,339 3.978,340 1.735,341 11.426,342 3.16,343 4.193,344 3.406,345 6.137,346 3.803,347 2.802,348 3.743,349 1.101,350 8.825,351 2.8,352 3.966,353 3.309,354 5.864,355 3.546,356 2.548,357 3.536,358 0.941,359 7.869,360 2.544,361 3.805,362 2.974,363 5.352,364 3.458,365 2.467,366 3.101,367 0.113,368 6.995,369 2.431,370 3.415,371 2.542,372 5.101,373 3.023,374 2.019,375 2.587,377 5.818,378 2.008,379 3.171,380 2.382,381 4.911,382 2.731,383 1.713,384 2.329,386 5.068,387 1.731,388 3.03,389 1.775,390 4.043,391 2.485,392 1.478,393 2.116,395 3.52,396 1.486,397 2.82,398 1.635,399 3.8,400 2.414,401 1.414,402 1.948,404 3.18,405 1.414,406 2.572,407 1.313,408 3.473,409 2.075,410 1.062,411 1.486,413 2.399,414 1.072,415 2.171,416 1.126,417 3.292,418 1.618,419 0.618,420 0.927,422 1.372,423 0.618,424 2.118,425 0.828,426 3,427 1.473,428 0.448,429 0.689,431 1.1,432 0.455,433 1.691,434 0.739,435 2.967,436 1.288,437 0.271,438 0.36,440 0.641,441 0.273,442 1.199,443 0.618,444 2.532,445 0.892,446 -0.117,447 -0.143,449 -0.29,450 -0.118,451 1,452 0.378,453 2.385,454 0.588,455 -0.428,456 -0.512,458 -1.052,459 -0.43,460 0.813,461 -0.229,462 2.367,463 0.469,464 -0.613,465 -0.833,467 -1.404,468 -0.64,469 11.633,470 0.465,471 0.703,472 0.028,473 34,474 1.36,475 18,476 0.72,477 16,478 0.64,479 17.559,480 0.702,481 26.167,482 0.638,483 26.983,484 1.079,485 7.172,486 0.287,487 4.797,488 0.192,489 0.172,491 0.378,496 0.679,497 1.24,498 0.685,499 1.038,500 0.547,501 0.892,502 0.538,503 0.977,504 0.679,505 0.937,506 0.544,507 0.869,508 1.062,509 1.219,510 0.97,511 1.123,512 0.998,513 1.041,514 0.739,515 1.177,516 0.959,517 1.151,518 0.783,519 1.117,520 1.11,521 0.841,522 0.92,523 0.782,524 1.146,525 0.789,526 1.236,527 1.031,528 0.977,529 0.983,530 1.297,531 0.918,532 1.286,533 0.967,534 1.125,535 0.975,536 1.609,537 1.008,538 1.677,539 1.075,540 1.308,541 1.035,542 1.793,543 1.068,544 5,545 0.072,546 3.333,547 2.347,548 1.614,549 0.92,550 0.735,551 0.361,552 0.325,553 0.107,554 6846,555 20861,556 2.015,557 39,558 6,559 8,560 1,562 1,567 1.682,568 1.852,569 3.278,570 -0.317,572 1,574 1,575 64.949,576 1.584,577 3.622,578 4.434,579 4.93,580 4.979,581 5.126,582 2.759,583 4.164,584 4.611,585 3.461,586 1038.37,587 7.989,588 12486.4,589 1,590 1,592 1,593 219.66,594 1.516,595 4.555,596 0.185,597 0.006,598 0.088,599 0.06,600 0.045,601 0.03,602 0.024,603 0.012,604 0.014,605 0.007,606 0.47,607 0.5,608 1,609 0.65,610 120.155,611 -0.046,612 -0.14,613 0.035,614 -0.056,615 -0.062,616 -0.004,617 0.237,618 0.091,619 0.153,620 0.034,621 0.07,622 0.051,623 -0.136,624 -0.196,625 -0.091,626 -0.156,627 -0.087,628 -0.12,629 0.281,630 -0.181,631 -0.003,632 -0.192,633 0.372,634 -0.173,635 -0.132,636 0.136,637 0.13,638 0.181,639 -0.079,640 0.218,641 -0.174,642 -0.017,643 -0.019,644 -0.031,645 -0.117,646 0.013,647 0.071,648 0.017,649 -0.13,650 -0.03,651 -0.108,652 -0.112,653 -0.342,654 -0.09,655 -0.282,656 -0.102,657 -0.292,658 -0.159,659 2.426,660 5.654,661 0.68,662 22.442,663 1.017,664 1.116,665 2.526,666 6.381,667 0.687,668 3.332,669 3.664,670 3.932,671 4.159,672 4.277,673 4.369,674 4.394,675 4.443,676 4.466,677 4.454,678 5.994,679 0.673,680 336.37,681 3.332,682 4.875,683 5.727,684 6.605,685 7.473,686 8.357,687 9.232,688 10.121,689 11,690 11.893,691 4.9,698 2,709 6,712 1,714 4,716 11,738 41,739 16,740 1,741 27,743 43,744 19,745 10,746 3,747 3,748 6,752 3,753 3,757 1,759 2,768 17,769 2,772 5,778 3,780 3,782 4,785 1,786 1,788 1,789 16,790 6,791 1,792 6,797 2,800 2,803 1,804 4,822 1,823 2,845 3,846 1,855 3,859 2,862 25,871 1,875 1,886 9.8,889 3,891 1,893 13.5,894 8.117,895 5.5,896 2.324,898 2.772,899 1.4,900 0.976,901 4.682,902 9.698,903 3.651,904 4.216,905 4.75,906 5.247,907 5.558,908 5.82,909 6.122,910 6.414,911 6.658,912 6.918,913 0.857,914 39,915 9.281,917 4.02,918 8.073,919 16.983,921 13.523,924 2.573,925 64.333,928 1,929 176.567,930 136.647,931 21.135,933 84.942,936 136.647,937 261.509,938 21.135,939 17.65,940 21.135,941 87.549,942 84.844,943 21.821,944 21.496,945 164.795,947 176.567,948 157.782,949 84.942,952 176.567,953 84.942,956 38.785,957 90.568,958 28.429,960 176.567,961 106.077,962 136.647,965 176.567,966 31.447,967 108.324,968 18.011,969 84.942,970 176.567,971 106.077,972 136.647,973 0.588,974 0.352,975 0.183,976 0.086,977 18,978 9,979 0.07,980 3,982 1,983 3.637,984 204.143,986 17,987 116.096,993 16.932,994 6.914,995 3.466,997 106.077,998 10.214,1001 5.142,1003 2.988,1005 18.011,1006 419.291,1007 37.5,1013 36.785,1015 4.505,1017 -2.272,1020 41.698,1021 45.741,1022 0.296,1023 0.676,1024 0.828,1025 0.92,1026 0.929,1027 0.957,1028 4.888,1029 1.414,1030 5.727,1031 3.52,1032 4.344,1033 4.902,1034 2.33,1035 6.553,1036 4.327,1037 6.107,1038 1.062,1039 7.305,1040 3.18,1041 4.007,1042 4.691,1043 1.305,1044 7.506,1045 3.981,1046 7.417,1047 0.618,1048 8.985,1049 2.399,1050 5.953,1051 7.032,1052 2.882,1053 10.623,1054 5.903,1055 8.761,1056 0.448,1057 10.724,1058 1.372,1059 6.431,1060 7.617,1061 2.523,1062 12.411,1063 6.364,1064 10.133,1065 0.271,1066 12.502,1067 1.1,1068 7.86,1069 9.413,1070 3.661,1071 15.071,1072 7.767,1073 11.525,1074 -0.117,1075 14.306,1076 0.641,1077 8.703,1078 10.366,1079 3.714,1080 17.214,1081 8.587,1082 12.934,1083 -0.428,1084 16.131,1085 -0.29,1086 9.944,1087 11.935,1088 4.591,1089 19.724,1090 9.802,1091 3.247,1092 -0.613,1093 17.971,1094 -1.052,1095 10.955,1096 13.072,1097 4.874,1098 22.027,1099 10.786,1100 2.802,1101 11.426,1102 19.824,1103 -1.404,1104 12.131,1105 14.535,1106 5.606,1107 24.483,1108 11.934,1109 2.548,1110 8.825,1111 21.688,1112 3.978,1113 13.22,1114 15.769,1115 6.013,1116 26.858,1117 12.993,1118 2.467,1119 7.869,1120 23.56,1121 3.743,1122 14.377,1123 17.18,1124 6.665,1125 29.298,1126 14.122,1127 2.019,1128 6.995,1129 25.44,1130 3.536,1131 15.504,1132 18.466,1133 7.136,1134 31.705,1135 15.217,1136 1.713,1137 5.818,1138 27.327,1139 3.101,1140 16.66,1141 19.852,1142 7.745,1143 34.139,1144 16.343,1145 1.478,1146 5.068,1147 29.219,1148 2.587,1149 17.806,1150 21.169,1151 8.251,1152 36.561,1153 17.458,1154 6703,1155 11873,1156 17.512,1157 28.159,1158 41.589,1159 43.109,1160 42.107,1161 40.182,1162 40.173,1163 53.602,1164 7.781,1165 116.431,1166 39.984,1167 5.509,1168 5.991,1169 6.545,1170 5.291,1171 5.247,1172 6.978,1173 3.06,1174 18.957,1175 5.16,1176 13.812,1177 1.54,1178 1.597,1179 1.56,1180 1.488,1181 1.488,1182 1.985,1183 0.288,1184 4.312,1185 1.481,1186 4.006,1187 4.032,1188 3.965,1189 3.912,1190 7.462,1191 3.916,1192 3.907,1193 3.92,1194 3.852,1195 3.79,1196 7.412,1197 3.801,1198 3.779,1199 3.798,1200 3.737,1201 3.621,1202 7.411,1203 3.647,1204 3.401,1205 3.443,1206 3.324,1207 3.233,1208 5.093,1209 3.25,1210 3.198,1211 3.258,1212 3.107,1213 3.028,1214 4.727,1215 3.025,1216 3.149,1217 3.243,1218 2.981,1219 2.984,1220 4.387,1221 2.96,1222 3.037,1223 3.049,1224 2.929,1225 2.786,1226 3.992,1227 2.831,1228 2.946,1229 2.97,1230 2.83,1231 2.635,1232 3.868,1233 2.692,1234 0.167,1235 0.148,1236 0.255,1237 0.156,1238 0.12,1239 4.509,1240 0.147,1241 3.991,1242 0.064,1243 6.891,1244 0.423,1245 4.221,1246 0.117,1247 3.247,1248 3.978,1249 1.735,1250 11.426,1251 3.16,1252 1.95,1253 1.924,1254 2.061,1255 2.06,1256 1.2,1257 2.054,1258 1.773,1259 1.754,1260 1.874,1261 1.912,1262 0.937,1263 1.899,1264 1.549,1265 1.523,1266 1.673,1267 1.726,1268 0.726,1269 1.706,1270 1.394,1271 1.363,1272 1.573,1273 1.586,1274 0.63,1275 1.586,1276 1.22,1277 1.174,1278 1.566,1279 1.429,1280 0.61,1281 1.476,1282 1.19,1283 1.103,1284 1.469,1285 1.42,1286 0.474,1287 1.442,1288 1.066,1289 1.026,1290 1.238,1291 1.352,1292 0.191,1293 1.321,1294 0.798,1295 0.772,1296 1.049,1297 1.145,1298 0.094,1299 1.086,1300 4.007,1302 5.333,1303 2.398,1304 6.849,1305 4.443,1306 8.463,1307 6.26,1308 10.131,1310 3.824,1317 2.188,1321 0.959,1326 27.59,1327 64.949,1328 148.501,1329 181.785,1330 202.15,1331 204.15,1332 210.15,1333 56.828,1334 6.926,1335 85.07,1336 85.07,1337 17,1338 12.423,1339 4.087,1340 3.524,1341 41.695,1342 88,1343 89,1344 0.231,1345 171.144,1346 309.14,1347 409.352,1348 8546,1350 17.974,1351 0.719,1352 0.551,1353 17.974,1354 13.776,1355 11.969,1356 0.443,1357 0.284,1358 7.55,1359 11.487,1360 7.313,1361 6.117,1362 11.969,1363 7.66,1364 10.9,1365 0.287,1366 0.148,1367 10.9,1368 5.623,1369 9.222,1370 0.184,1371 0.078,1372 9.222,1373 3.917,1374 7.562,1375 0.12,1376 0.038,1377 7.562,1378 2.402,1379 5.084,1380 0.072,1381 0.02,1382 5.084,1383 1.452,1384 0.359,1385 75.364,1386 0.239,1387 24.228,1388 0.647,1389 130,1390 448.92,1391 145.487,1392 427.172,1393 571.99,1394 396,1395 153,1396 414.752,1397 167.963,1398 417.208,1399 609.43,1400 391,1401 5.314}
{0 CHEMBL1365471,1 1.596,2 12,3 1.837,4 3.373,5 131.641,6 7.638,7 0.436,8 4.241,9 4.354,10 3.832,11 3.752,12 5.364,13 3.75,14 4.793,15 4.962,16 4.197,17 4.144,18 5.856,19 4.131,20 5.036,21 5.232,22 4.301,23 4.3,24 6.156,25 4.261,26 5.143,27 5.345,28 4.329,29 4.351,30 6.326,31 4.298,32 5.183,33 5.395,34 4.379,35 4.366,36 6.412,37 4.325,38 5.175,39 5.365,40 4.407,41 4.386,42 6.395,43 4.351,44 5.214,45 5.412,46 4.333,47 4.364,48 6.43,49 4.314,50 5.149,51 5.354,52 4.223,53 4.292,54 6.308,55 4.238,56 0.089,57 0.937,58 12.195,59 5.508,60 12.447,61 6.989,62 0.351,63 1.528,64 24.192,65 8.518,66 26.489,67 11.439,68 0.656,69 1.833,70 32.841,71 11.297,72 66.166,73 15.338,74 0.697,75 1.957,76 37.349,77 12.986,78 97.456,79 17.712,80 0.865,81 1.992,82 40.228,83 13.202,84 123.197,85 18.031,86 0.783,87 2.007,88 38.423,89 13.284,90 85.472,91 17.413,92 0.858,93 1.998,94 41.265,95 13.915,96 119.465,97 18.092,98 0.799,99 1.888,100 38.898,101 12.509,102 111.971,103 16.5,104 17,105 55,106 0.254,107 0.601,108 0.751,109 0.839,110 0.854,111 0.854,112 3.589,113 0.897,114 -2,115 -2.05,116 -2.05,120 41.9,121 1,126 6,128 1,137 1,139 1,143 8,144 1,145 1,146 2,147 1,153 1,158 1,159 1,167 1,174 6,176 1,177 10,182 1,185 7,188 3,189 9,192 2,197 3,200 3,201 8,204 1,206 1,209 6,213 4,214 7,217 1,219 1,222 6,226 4,227 6,230 3,232 2,235 5,239 5,240 10,245 1,247 4,251 1,252 7,257 2,260 2,263 3,264 10,267 1,269 2,271 3,274 2392,275 24.001,276 24.001,277 24.001,278 24.001,279 24.001,280 21.479,281 26.161,282 14.242,283 24.518,284 19.214,285 19.214,286 19.214,287 19.214,288 19.214,289 15.446,290 29.678,291 6.741,292 20.01,293 4.358,294 2.181,295 1.238,296 0.69,297 0.593,298 0.593,299 4.293,307 1,308 921,309 3.24,312 203.005,313 359.279,320 1.771,321 45.712,324 1,325 0.67,326 1,327 0.8,328 0.5,329 1,330 1,331 0.85,332 76.5,333 420,334 4.7,335 3.984,336 7.218,337 4.406,338 3.427,339 4.289,340 1.375,341 12.701,342 3.357,343 4.468,344 3.558,345 6.723,346 4.093,347 3.129,348 4.013,349 0.941,350 10.81,351 3.014,352 3.967,353 3.169,354 6.168,355 3.612,356 2.626,357 3.472,358 0.86,359 8.869,360 2.584,361 3.877,362 3.047,363 5.938,364 3.487,365 2.528,366 3.364,367 0.8,368 8.023,369 2.441,370 3.574,371 2.885,372 5.632,373 3.426,374 2.488,375 2.821,376 0.114,377 7.117,378 2.302,379 3.488,380 2.402,381 5.336,382 3.133,383 2.15,384 2.524,386 6.83,387 2.111,388 3.155,389 2.274,390 5.005,391 2.81,392 1.855,393 2.288,395 5.267,396 1.762,397 3.096,398 2.212,399 4.742,400 2.672,401 1.681,402 2.274,404 4.55,405 1.661,406 2.804,407 2.093,408 4.087,409 2.423,410 1.506,411 1.863,413 3.254,414 1.396,415 2.614,416 1.633,417 3.803,418 2.31,419 1.365,420 1.606,422 3.112,423 1.26,424 2.56,425 1.58,426 3.674,427 2.155,428 1.177,429 1.575,431 2.858,432 1.144,433 2.5,434 1.327,435 3.566,436 2.069,437 1.096,438 1.5,440 2.616,441 1.061,442 2.5,443 1.256,444 3.476,445 2,446 1,447 1.5,449 2.136,450 1,451 2.474,452 1.205,453 3.31,454 1.958,455 1,456 1.47,458 2.136,459 0.956,460 2.29,461 1.017,462 3.247,463 1.952,464 1,465 1.054,467 2.136,468 0.946,469 16.333,470 0.467,471 0.785,472 0.022,473 44,474 1.257,475 20.5,476 0.586,477 23.5,478 0.671,479 32.426,480 0.926,481 37.667,482 0.608,483 38.932,484 1.112,485 9.087,486 0.26,487 7.972,488 0.228,489 0.092,491 0.349,496 0.757,497 1.387,498 0.746,499 1.138,500 0.636,501 0.974,502 1.022,503 1.215,504 0.894,505 0.96,506 0.642,507 0.897,508 0.92,509 0.972,510 0.942,511 0.94,512 0.754,513 0.931,514 0.943,515 1.138,516 0.964,517 1.073,518 1.169,519 1.031,520 1.048,521 0.952,522 0.884,523 0.869,524 1.153,525 0.849,526 1.152,527 0.982,528 0.994,529 1.015,530 1.345,531 0.984,532 1.358,533 1.023,534 1.102,535 1.042,536 1.792,537 1.038,538 1.43,539 1.054,540 1.171,541 1.009,542 1.6,543 1.036,544 4.5,545 0.138,546 4,547 3.396,548 2.333,549 1.595,550 1.177,551 0.77,552 0.509,553 0.306,554 17155,555 45141,556 2.123,557 43.5,559 21,561 2,562 1,563 3,567 1.775,568 2,569 3.508,570 -0.345,575 98.957,576 1.596,577 3.773,578 4.716,579 5.265,580 5.361,581 5.361,582 3.014,583 4.272,584 5.095,585 3.673,586 2185.55,587 8.994,588 32792.1,593 369.16,594 1.366,595 5.067,596 0.115,597 0.004,598 0.073,599 0.058,600 0.04,601 0.025,602 0.018,603 0.013,604 0.01,605 0.007,606 0.363,607 0.33,608 0.75,609 0.504,610 186.049,611 -0.014,612 -0.195,613 0.061,614 -0.079,615 -0.04,616 -0.015,617 -0.107,618 -0.074,619 0.008,620 0.02,621 -0.027,622 0.036,623 0.041,624 0.103,625 0.003,626 0.032,627 0.09,628 0.019,629 0.057,630 -0.122,632 -0.087,633 0.054,634 -0.06,635 0.057,636 0.046,637 0.111,638 0.101,639 0.113,640 0.115,641 0.007,642 0.045,643 -0.019,644 -0.038,645 -0.025,646 -0.037,647 -0.094,648 -0.047,649 -0.098,650 -0.065,651 -0.155,652 -0.086,653 -0.191,654 -0.065,655 -0.167,656 -0.047,657 -0.203,658 -0.091,659 2.231,660 6.799,661 0.8,662 38.392,663 1.009,664 1.127,665 0.772,666 0.597,667 0.665,668 3.689,669 4.025,670 4.369,671 4.673,672 4.89,673 4.984,674 5.142,675 5.288,676 5.403,677 5.476,678 6.974,679 0.641,680 473.58,681 3.689,682 5.242,683 6.12,684 7.017,685 7.917,686 8.826,687 9.738,688 10.655,689 11.574,690 12.496,691 8.1,694 1,698 1,699 1,701 2,709 10,710 2,714 4,715 1,716 17,721 1,738 62,739 20,740 1,741 39,743 66,744 26,745 14,746 1,747 5,748 4,752 5,753 5,759 1,763 1,766 1,768 18,769 8,772 3,778 2,782 4,789 27,790 8,791 1,792 9,797 5,803 1,804 4,814 1,816 1,822 2,823 3,839 1,845 1,846 1,851 1,853 1,854 1,855 5,859 1,862 35,868 1,869 6,872 1,874 1,875 2,886 6.5,888 1,889 2,890 1,893 17.5,894 11.367,895 7.722,896 3.73,898 2.834,899 1.352,900 0.972,901 6.778,902 10.885,903 3.942,904 4.503,905 5.093,906 5.637,907 6.079,908 6.318,909 6.707,910 7.066,911 7.377,912 7.612,913 1,914 59,915 13.101,917 5.787,918 7.819,919 24.715,921 20.592,924 2.319,925 81.167,929 306.049,930 144.817,931 41.474,933 103.973,936 144.817,937 410.022,938 41.474,939 8.825,940 20.732,941 75.81,942 170.802,943 34.88,944 2.757,945 282.506,947 306.049,948 186.291,949 103.973,952 306.049,953 92.973,954 11,956 55.31,957 97.533,958 33.449,960 306.049,961 145.447,962 144.817,965 306.049,966 42.087,967 110.755,969 137.422,970 306.049,971 145.447,972 144.817,973 0.58,974 0.356,975 0.202,976 0.109,977 27,978 12,979 0.106,980 7,982 1,983 4.429,984 352.23,986 28,987 171.525,993 23.431,994 10.124,995 4.528,997 143.67,998 17.952,999 8.826,1003 2.307,1004 1.674,1005 42.683,1006 596.313,1007 50.5,1013 26.992,1017 -1.49,1020 62.538,1021 69.896,1022 0.268,1023 0.634,1024 0.792,1025 0.884,1026 0.9,1027 0.9,1028 5.194,1029 1.681,1030 6.107,1031 5.267,1032 4.71,1033 5.19,1034 2.12,1035 6.973,1036 4.639,1037 6.386,1038 1.506,1039 7.698,1040 4.55,1041 4.29,1042 4.902,1043 1.057,1044 8.005,1045 4.2,1046 7.693,1047 1.365,1048 9.4,1049 3.254,1050 6.34,1051 7.321,1052 2.176,1053 11.195,1054 6.209,1055 9.041,1056 1.177,1057 11.17,1058 3.112,1059 6.825,1060 7.929,1061 1.615,1062 13.117,1063 6.681,1064 10.429,1065 1.096,1066 12.983,1067 2.858,1068 8.318,1069 9.783,1070 2.448,1071 15.838,1072 8.137,1073 11.847,1074 1,1075 14.827,1076 2.616,1077 9.206,1078 10.804,1079 2.195,1080 18.113,1081 9.013,1082 13.287,1083 1,1084 16.692,1085 2.136,1086 10.497,1087 12.426,1088 2.863,1089 20.692,1090 10.275,1091 3.427,1092 1,1093 18.575,1094 2.136,1095 11.565,1096 13.649,1097 2.815,1098 23.112,1099 11.327,1100 3.129,1101 12.701,1102 20.47,1103 2.136,1104 12.79,1105 15.166,1106 3.37,1107 25.648,1108 12.527,1109 2.626,1110 10.81,1111 22.376,1112 4.289,1113 13.936,1114 16.491,1115 3.455,1116 28.13,1117 13.657,1118 2.528,1119 8.869,1120 24.291,1121 4.013,1122 15.143,1123 17.962,1124 3.932,1125 30.657,1126 14.842,1127 2.488,1128 8.023,1129 26.213,1130 3.472,1131 16.325,1132 19.34,1133 4.102,1134 33.165,1135 16.005,1136 2.15,1137 7.117,1138 28.142,1139 3.364,1140 17.531,1141 20.791,1142 4.525,1143 35.692,1144 17.191,1145 1.855,1146 6.83,1147 30.076,1148 2.821,1149 18.73,1150 22.197,1151 4.748,1152 38.214,1153 18.371,1154 16056,1155 26219,1156 26.353,1157 41.222,1158 59.806,1159 61.411,1160 61.011,1161 58.931,1162 58.889,1163 74.752,1164 8.18,1165 172.047,1166 56.76,1167 5.7,1168 5.984,1169 7.02,1170 5.509,1171 5.427,1172 7.289,1173 2.484,1174 20.589,1175 5.357,1176 14.877,1177 1.533,1178 1.575,1179 1.564,1180 1.511,1181 1.51,1182 1.917,1183 0.21,1184 4.411,1185 1.455,1186 4.079,1187 4.116,1188 4.047,1189 3.949,1190 7.435,1191 3.967,1192 3.953,1193 3.995,1194 3.909,1195 3.835,1196 7.422,1197 3.844,1198 3.8,1199 3.86,1200 3.713,1201 3.68,1202 6.459,1203 3.685,1204 3.774,1205 3.806,1206 3.687,1207 3.599,1208 4.963,1209 3.613,1210 3.68,1211 3.718,1212 3.612,1213 3.518,1214 4.883,1215 3.536,1216 3.345,1217 3.402,1218 3.211,1219 3.146,1220 4.642,1221 3.147,1222 3.111,1223 3.206,1224 3.014,1225 2.941,1226 4.626,1227 2.91,1228 3.085,1229 3.154,1230 2.866,1231 2.857,1232 4.17,1233 2.868,1234 0.121,1235 0.102,1236 0.185,1237 0.113,1238 0.088,1239 4.7,1240 0.11,1241 3.984,1242 0.035,1243 7.218,1244 0.326,1245 4.406,1246 0.086,1247 3.427,1248 4.289,1249 1.375,1250 12.701,1251 3.357,1252 1.906,1253 1.874,1254 2.02,1255 2.02,1256 1.273,1257 2.019,1258 1.865,1259 1.831,1260 1.983,1261 2.009,1262 1.13,1263 2.004,1264 1.742,1265 1.681,1266 1.947,1267 1.966,1268 1.091,1269 1.963,1270 1.68,1271 1.664,1272 1.793,1273 1.803,1274 0.957,1275 1.792,1276 1.471,1277 1.423,1278 1.705,1279 1.72,1280 0.904,1281 1.711,1282 1.429,1283 1.385,1284 1.592,1285 1.625,1286 0.825,1287 1.616,1288 1.239,1289 1.179,1290 1.513,1291 1.483,1292 0.731,1293 1.449,1294 1.153,1295 1.064,1296 1.373,1297 1.376,1298 0.462,1299 1.429,1300 4.369,1302 5.7,1303 3.045,1304 7.235,1305 5.533,1306 8.858,1307 7.727,1308 10.529,1310 1.799,1314 10.922,1315 3.811,1318 5.41,1320 -0.781,1321 3.745,1326 39.761,1327 98.957,1328 233.941,1329 292.405,1330 326.405,1331 332.405,1332 332.405,1333 79.706,1334 8.052,1335 100.79,1336 100.79,1337 28,1338 13.004,1339 4.392,1340 3.644,1341 51.803,1342 140,1343 162,1344 0.174,1345 240.959,1346 424.98,1347 579.701,1348 34269,1350 24.363,1351 0.696,1352 0.557,1353 24.363,1354 19.502,1355 17.059,1356 0.437,1357 0.299,1358 11.465,1359 16.296,1360 11.243,1361 9.225,1362 17.059,1363 11.659,1364 15.038,1365 0.273,1366 0.156,1367 15.038,1368 8.592,1369 13.6,1370 0.174,1371 0.084,1372 13.6,1373 6.532,1374 11.581,1375 0.109,1376 0.044,1377 11.581,1378 4.642,1379 9.139,1380 0.069,1381 0.023,1382 9.139,1383 3.088,1384 0.268,1385 107.679,1386 0.195,1387 31.733,1388 0.498,1389 188,1390 571.582,1391 208.319,1392 543.662,1393 741.38,1394 510,1395 227,1396 542.204,1397 250.233,1398 543.691,1399 805.9,1400 513,1401 5.889}
{0 CHEMBL1365850,1 1.472,2 9.13,3 2.118,4 4.485,5 80.086,6 8.923,7 0.462,8 3.734,9 3.781,10 3.436,11 3.267,12 5.015,13 3.312,14 4.219,15 4.289,16 3.828,17 3.649,18 5.501,19 3.696,20 4.465,21 4.561,22 3.942,23 3.765,24 5.782,25 3.806,26 4.438,27 4.541,28 3.879,29 3.677,30 6.013,31 3.698,32 4.371,33 4.518,34 3.573,35 3.531,36 5.654,37 3.529,38 4.158,39 4.302,40 3.477,41 3.347,42 5.574,43 3.345,44 3.997,45 4.125,46 3.345,47 3.222,48 5.311,49 3.223,50 3.951,51 4.112,52 3.174,53 3.053,54 5.22,55 3.053,56 0.206,57 0.422,58 4.957,59 3.359,60 20.208,61 2.915,62 0.401,63 0.683,64 9.481,65 5.453,66 27.852,67 4.807,68 0.691,69 0.861,70 14.391,71 6.902,72 54.802,73 6.208,74 0.848,75 0.837,76 14.038,77 6.783,78 84.382,79 6.873,80 0.684,81 0.787,82 15.782,83 6.421,84 72.869,85 6.184,86 0.645,87 0.637,88 12.517,89 5.248,90 67.976,91 5.715,92 0.491,93 0.542,94 9.744,95 4.439,96 42.632,97 4.638,98 0.459,99 0.515,100 10.635,101 4.259,102 44.107,103 4.592,104 10,105 38,106 0.266,107 0.635,108 0.765,109 0.846,110 0.877,111 0.887,112 3.19,113 0.809,114 -2.32,115 -2.36,116 -2.32,120 48.6,126 2,137 1,138 1,143 5,144 2,145 5,158 1,174 4,177 7,182 4,185 8,188 1,189 6,197 3,200 1,201 10,204 3,205 1,206 3,209 4,214 3,219 1,222 3,226 2,227 1,230 1,232 3,235 4,239 2,240 1,245 2,247 2,252 2,255 1,257 2,264 2,267 1,269 1,274 652,275 15.585,276 15.585,277 15.585,278 15.585,279 15.585,280 13.782,281 18.991,282 8.978,283 16.015,284 12.827,285 12.827,286 12.827,287 12.827,288 12.827,289 9.951,290 23.717,291 4.249,292 13.526,293 3.658,294 1.621,295 0.903,296 0.457,297 0.286,298 0.229,299 3.888,305 1,306 1,307 1,308 466,309 2.121,313 202.815,317 172.403,320 1.365,321 37.824,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 52,333 210,334 4.603,335 3.701,336 6.892,337 4.245,338 3.253,339 4.259,340 0.86,341 11.445,342 3.229,343 4.308,344 3.25,345 6.304,346 3.896,347 2.939,348 3.966,349 0.86,350 9.553,351 2.817,352 3.994,353 2.988,354 6.065,355 3.597,356 2.633,357 3.435,358 0.86,359 8.71,360 2.516,361 3.526,362 2.599,363 5.207,364 3.127,365 2.159,366 2.859,368 6.272,369 2.082,370 3.316,371 2.417,372 5.058,373 2.921,374 2.003,375 2.563,377 5.825,378 1.828,379 3.089,380 2.272,381 4.781,382 2.654,383 1.678,384 2.253,386 4.872,387 1.622,388 2.923,389 2.178,390 4.417,391 2.53,392 1.618,393 2.06,395 4.324,396 1.469,397 2.735,398 1.854,399 4.064,400 2.33,401 1.399,402 1.671,404 3.26,405 1.285,406 2.459,407 1.524,408 3.61,409 2.153,410 1.213,411 1.449,413 2.926,414 1.127,415 1.895,416 1.03,417 3.182,418 1.576,419 0.678,420 0.8,422 1.575,423 0.602,424 1.471,425 0.871,426 2.975,427 1.043,428 0.093,429 0.113,431 0.24,432 0.087,433 1.247,434 0.355,435 2.822,436 0.873,437 -0.116,438 -0.158,440 -0.301,441 -0.113,442 0.926,443 -0.039,444 2.637,445 0.523,446 -0.414,447 -0.523,449 -1.079,450 -0.381,451 0.74,452 -0.071,453 2.358,454 0.361,455 -0.564,456 -0.682,458 -1.336,459 -0.506,460 0.685,461 -0.276,462 2.126,463 0.309,464 -0.618,465 -0.729,467 -1.601,468 -0.566,469 10.5,470 0.457,471 0.627,472 0.027,473 32.75,474 1.424,475 17.5,476 0.761,477 15.25,478 0.663,479 14.739,480 0.641,481 24.3,482 0.694,483 24.252,484 1.054,485 6.649,486 0.289,487 4.482,488 0.195,489 0.095,491 0.429,496 0.909,497 0.975,498 0.664,499 0.937,500 0.837,501 0.769,502 1.035,503 1.006,504 0.772,505 0.97,506 0.683,507 0.823,508 1.142,509 0.986,510 0.94,511 0.963,512 1.01,513 0.896,514 0.726,515 1.135,516 0.905,517 1.146,518 0.778,519 1.112,520 1.259,521 0.959,522 1.197,523 0.961,524 1.433,525 1.028,526 0.755,527 0.955,528 0.9,529 0.968,530 0.807,531 0.986,532 0.81,533 1.088,534 0.965,535 1.1,536 0.962,537 1.097,538 0.982,539 1.094,540 1.005,541 1.093,542 1.028,543 1.068,544 4.5,545 0.074,546 2.889,547 2.063,548 1.764,549 0.875,550 0.403,551 0.299,552 0.237,553 0.08,554 5554,555 18376,556 2.141,557 34.3,559 9,560 1,562 2,567 1.658,568 2,569 3.159,570 0.321,572 1,574 1,575 51.509,576 1.472,577 3.508,578 4.226,579 4.672,580 4.844,581 4.901,582 2.666,583 4.089,584 4.497,585 3.26,586 824.715,587 7.748,588 8941.59,589 1,590 1,592 1,593 179.525,594 1.422,595 4.454,596 0.173,597 0.011,598 0.076,599 0.05,600 0.049,601 0.032,602 0.017,603 0.014,604 0.014,605 0.007,606 0.443,607 0.5,608 1,609 0.58,610 105.578,611 -0.135,612 0.022,613 0.002,614 0.036,615 -0.15,616 0.063,617 -0.168,618 -0.018,619 -0.011,620 -0.001,621 -0.049,622 0.041,623 -0.15,624 -0.007,625 -0.061,627 -0.135,628 0.004,629 0.253,630 -0.164,631 0.005,632 -0.184,633 0.319,634 -0.188,635 -0.254,636 0.009,637 -0.183,638 0.009,639 -0.248,640 -0.039,641 0.187,642 0.014,643 0.107,644 0.009,645 0.186,646 0.021,647 0.113,648 -0.119,649 -0.011,650 -0.128,651 -0.034,652 -0.122,653 -0.006,654 -0.133,655 0.057,656 -0.12,657 -0.037,658 -0.038,659 2.055,660 5.655,661 0.87,662 16.48,663 1.036,664 1.107,665 1.093,666 1.194,667 0.694,668 3.296,669 3.664,670 3.989,671 4.304,672 4.554,673 4.654,674 4.771,675 4.934,676 5.043,677 5.069,678 5.244,679 0.699,680 312.29,681 3.296,682 4.86,683 5.74,684 6.645,685 7.537,686 8.447,687 9.344,688 10.255,689 11.155,690 12.067,709 5,714 7,716 12,721 1,734 2,735 3,738 35,739 14,740 2,741 26,743 38,744 17,745 12,746 7,747 5,748 3,752 4,753 6,768 15,769 2,772 2,778 1,780 1,782 2,785 1,786 1,789 12,790 6,791 2,792 6,803 0.5,804 6,823 4,827 2,846 1,855 2,862 23,868 2,869 2,872 3,886 17.1,888 2,889 1,891 3,893 11.5,894 6.317,895 4.917,896 1.975,898 2.836,899 1.378,900 0.959,901 3.34,902 10.336,903 3.555,904 4.19,905 4.808,906 5.394,907 5.918,908 6.234,909 6.55,910 6.939,911 7.264,912 7.576,913 1,914 41,915 8.54,917 3.871,918 8.087,919 15.645,921 13.114,924 2.587,925 59.5,929 117.711,930 98.521,933 143.511,936 98.521,937 261.222,940 20.719,941 47.381,942 115.645,943 58.287,944 11.771,945 105.94,947 117.711,948 98.521,949 143.511,952 117.711,953 143.511,956 9.185,957 89.336,960 117.711,961 143.511,962 98.521,965 117.711,966 39.605,967 58.915,969 143.511,970 117.711,971 143.511,972 98.521,973 0.593,974 0.359,975 0.205,976 0.109,977 21,978 9,979 0.026,980 1,981 2,982 1.2,983 3.469,984 197.353,985 0.2,986 20,987 104.042,993 14.267,994 5.385,995 2.39,997 143.511,998 7.536,1003 1.417,1005 85.367,1006 359.743,1007 34,1013 12.655,1015 1.301,1017 -0.101,1020 36.265,1021 38.748,1022 0.287,1023 0.684,1024 0.824,1025 0.911,1026 0.944,1027 0.955,1028 4.82,1029 1.399,1030 5.746,1031 4.324,1032 4.344,1033 4.875,1034 1.693,1035 6.608,1036 4.255,1037 6.049,1038 1.213,1039 7.336,1040 3.26,1041 4.007,1042 4.783,1044 7.591,1045 3.916,1046 7.38,1047 0.678,1048 9.027,1049 2.926,1050 5.984,1051 7.099,1052 1.454,1053 10.732,1054 5.845,1055 8.746,1056 0.093,1057 10.775,1058 1.575,1059 6.447,1060 7.792,1062 12.538,1063 6.321,1064 10.143,1065 -0.116,1066 12.562,1067 0.24,1068 7.918,1069 9.607,1070 1.232,1071 15.206,1072 7.755,1073 11.562,1074 -0.414,1075 14.375,1076 -0.301,1077 8.757,1078 10.668,1080 17.356,1081 8.604,1082 12.998,1083 -0.564,1084 16.207,1085 -1.079,1086 10.028,1087 12.273,1088 1.028,1089 19.86,1090 9.851,1091 3.253,1092 -0.618,1093 18.054,1094 -1.336,1095 11.041,1096 13.514,1098 22.16,1099 10.869,1100 2.939,1101 11.445,1102 19.913,1103 -1.601,1104 12.234,1105 15.025,1106 0.845,1107 24.606,1108 12.048,1109 2.633,1110 9.553,1111 21.781,1112 4.259,1113 13.326,1114 16.356,1116 26.973,1117 13.14,1118 2.159,1119 8.71,1120 23.657,1121 3.966,1122 14.492,1123 17.823,1124 0.684,1125 29.402,1126 14.299,1127 2.003,1128 6.272,1129 25.54,1130 3.435,1131 15.62,1132 19.202,1134 31.801,1135 15.426,1136 1.678,1137 5.825,1138 27.427,1139 2.859,1140 16.78,1141 20.649,1142 0.546,1143 34.227,1144 16.58,1145 1.618,1146 4.872,1147 29.32,1148 2.563,1149 17.926,1150 22.053,1152 36.641,1153 17.724,1154 5225,1155 9615,1156 17.512,1157 24.295,1158 39.867,1159 41.515,1160 40.803,1161 39.33,1162 39.333,1163 50.857,1164 5.16,1165 118.005,1166 37.326,1167 5.547,1168 5.701,1169 6.579,1170 5.385,1171 5.253,1172 7.259,1173 1.72,1174 18.923,1175 5.229,1176 10.018,1177 1.533,1178 1.597,1179 1.569,1180 1.513,1181 1.513,1182 1.956,1183 0.198,1184 4.539,1185 1.436,1186 4.04,1187 4.042,1188 4.011,1189 3.953,1190 7.427,1191 3.965,1192 3.889,1193 3.895,1194 3.849,1195 3.794,1196 6.492,1197 3.804,1198 3.543,1199 3.564,1200 3.474,1201 3.378,1202 6.445,1203 3.398,1204 3.337,1205 3.37,1206 3.22,1207 3.173,1208 4.959,1209 3.175,1210 3.038,1211 3.039,1212 2.973,1213 2.809,1214 4.772,1215 2.841,1216 2.901,1217 2.937,1218 2.798,1219 2.735,1220 4.324,1221 2.739,1222 2.78,1223 2.808,1224 2.691,1225 2.657,1226 4.212,1227 2.659,1228 2.694,1229 2.673,1230 2.626,1231 2.405,1232 4.088,1233 2.406,1234 0.177,1235 0.142,1236 0.265,1237 0.163,1238 0.125,1239 4.603,1240 0.164,1241 3.701,1242 0.033,1243 6.892,1244 0.44,1245 4.245,1246 0.124,1247 3.253,1248 4.259,1249 0.86,1250 11.445,1251 3.229,1252 1.971,1253 1.966,1254 2.033,1255 2.076,1256 1.167,1257 2.059,1258 1.845,1259 1.836,1260 1.923,1261 1.971,1262 1.051,1263 1.952,1264 1.479,1265 1.455,1266 1.697,1267 1.682,1268 0.931,1269 1.684,1270 1.302,1271 1.265,1272 1.46,1273 1.485,1274 0.54,1275 1.476,1276 0.912,1277 0.901,1278 1.118,1279 1.206,1280 0.178,1281 1.156,1282 0.864,1283 0.821,1284 1.091,1285 1.085,1286 0.096,1287 1.089,1288 0.747,1289 0.72,1290 0.922,1291 0.932,1292 0.055,1293 0.928,1294 0.541,1295 0.496,1296 0.905,1297 0.901,1298 0.004,1299 0.848,1300 3.97,1302 5.323,1304 6.891,1306 8.559,1308 10.277,1314 19.4,1315 0.935,1318 16.357,1326 24.45,1327 51.509,1328 122.796,1329 147.915,1330 163.525,1331 169.525,1332 171.525,1333 44.902,1334 7.501,1335 89.13,1336 89.13,1337 24,1338 12.583,1339 3.907,1340 3.17,1341 31.821,1342 72,1343 68,1344 0.221,1345 144.825,1346 263.04,1347 345.133,1348 17692,1350 15.974,1351 0.695,1352 0.518,1353 15.974,1354 11.906,1355 11.131,1356 0.428,1357 0.27,1358 6.867,1359 10.541,1360 6.789,1361 5.524,1362 11.131,1363 7.008,1364 10.369,1365 0.273,1366 0.136,1367 10.369,1368 5.175,1369 9.02,1370 0.17,1371 0.07,1372 9.02,1373 3.695,1374 8.203,1375 0.112,1376 0.036,1377 8.203,1378 2.628,1379 6.438,1380 0.068,1381 0.019,1382 6.438,1383 1.786,1384 0.337,1385 71.243,1386 0.239,1387 22.139,1388 0.636,1389 128,1390 463.242,1391 144.94,1392 428.137,1393 578.2,1394 400,1395 155,1396 421.97,1397 172.496,1398 418.744,1399 621.06,1400 395,1401 4.718}
{0 CHEMBL1365958,1 1.553,2 11,3 3.795,4 14.404,5 89.653,6 8.036,7 0.654,8 3.774,9 3.874,10 3.422,11 3.342,12 4.921,13 3.345,14 4.263,15 4.392,16 3.742,17 3.691,18 5.382,19 3.683,20 4.467,21 4.647,22 3.753,23 3.752,24 5.558,25 3.717,26 4.347,27 4.555,28 3.479,29 3.587,30 5.356,31 3.517,32 4.213,33 4.447,34 3.273,35 3.409,36 5.181,37 3.322,38 4.063,39 4.306,40 3.163,41 3.256,42 5.036,43 3.17,44 3.927,45 4.153,46 3.125,47 3.192,48 4.934,49 3.133,50 3.866,51 4.065,52 3.116,53 3.204,54 4.886,55 3.146,56 0.054,57 0.548,58 6.646,59 3.31,60 6.002,61 3.867,62 0.168,63 0.858,64 12.48,65 5.378,66 15.339,67 6.172,68 0.371,69 1.036,70 17.603,71 6.553,72 28.939,73 7.981,74 0.198,75 0.942,76 15.751,77 5.798,78 21.611,79 7.499,80 0.23,81 0.822,82 14.571,83 5.09,84 21.404,85 6.901,86 0.231,87 0.701,88 12.863,89 4.496,90 18.907,91 6.31,92 0.192,93 0.621,94 10.792,95 3.689,96 16.62,97 4.965,98 0.169,99 0.568,100 9.612,101 3.653,102 14.574,103 4.7,105 35,106 0.274,107 0.575,108 0.711,109 0.853,110 0.881,111 0.89,112 3.187,113 0.857,114 -4.37,115 -4.3,116 -4.06,120 47.4,126 2,143 9,144 2,145 2,147 1,148 1,156 1,170 1,174 9,177 6,180 1,182 1,185 8,188 2,189 10,194 2,197 6,201 5,206 4,209 3,213 1,214 3,219 3,222 2,226 1,227 4,230 1,232 1,235 3,240 2,243 1,247 5,251 1,252 1,260 7,263 1,264 2,271 7,274 668,275 16.154,276 16.154,277 16.154,278 16.154,279 16.154,280 13.981,281 13.088,282 9.79,283 16.547,284 12.892,285 12.892,286 12.892,287 12.892,288 12.892,289 9.611,290 12.084,291 4.693,292 13.533,293 3.695,294 1.993,295 1.224,296 0.421,297 0.263,298 0.211,299 3.898,305 1,306 1,307 1,308 570,309 2.449,313 232.699,317 197.355,320 1.565,321 14.597,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49.5,333 253,334 4.406,335 3.251,336 6.184,337 3.899,338 2.928,339 4.336,340 0.86,341 9.228,342 2.853,343 4.284,344 2.947,345 6.182,346 3.87,347 2.918,348 3.931,349 0.86,350 9.223,351 2.773,352 3.711,353 2.557,354 5.286,355 3.31,356 2.351,357 3.097,359 6.758,360 2.244,361 3.589,362 2.354,363 5.226,364 3.192,365 2.231,366 2.952,368 6.591,369 2.136,370 3.118,371 2.177,372 4.417,373 2.604,374 1.618,375 2.427,377 4.375,378 1.593,379 2.924,380 1.847,381 4.413,382 2.53,383 1.618,384 2.103,386 4.364,387 1.469,388 2.915,389 1.618,390 3.639,391 2.422,392 1.45,393 2.061,395 3.071,396 1.414,397 2.736,398 1.514,399 3.617,400 2.34,401 1.408,402 1.69,404 3.008,405 1.293,406 2.457,407 1.38,408 3.454,409 2.1,410 1.135,411 1.443,413 2.51,414 1.091,415 2.185,416 0.994,417 3.181,418 1.679,419 0.714,420 1.026,422 1.643,423 0.684,424 1.894,425 0.723,426 3.138,427 1.574,428 0.653,429 0.799,431 1.513,432 0.598,433 1.386,434 0.265,435 2.779,436 1.012,437 0.064,438 0.08,440 0.159,441 0.061,442 0.956,443 -0.019,444 2.346,445 0.566,446 -0.385,447 -0.494,449 -0.92,450 -0.361,451 0.882,452 -0.291,453 2.221,454 0.367,455 -0.618,456 -0.729,458 -1.561,459 -0.564,460 0.709,461 -0.558,462 2,463 0.313,464 -0.618,465 -0.903,467 -1.597,468 -0.608,469 10.867,470 0.472,471 0.376,472 0.016,473 34,474 1.478,475 19,476 0.826,477 15,478 0.652,479 13.408,480 0.583,481 23.333,482 0.614,483 21.802,484 0.948,485 6.936,486 0.302,487 4.446,488 0.193,491 0.276,496 0.831,497 1.063,498 0.696,499 0.986,500 0.827,501 0.849,502 1.293,503 1.101,504 0.935,505 1.018,506 1.131,507 0.941,508 1.237,509 1.037,510 1.027,511 0.943,512 1.111,513 0.95,514 1.063,515 1.243,516 1.14,517 1.126,518 1.131,519 1.133,520 0.872,521 1.114,522 1.076,523 1.011,524 0.999,525 1.053,526 0.616,527 1.046,528 0.897,529 0.922,530 0.709,531 0.944,532 0.88,533 0.89,534 0.942,535 0.784,536 1.112,537 0.836,538 0.921,539 0.802,540 0.99,541 0.859,542 1.031,543 0.909,544 3.5,545 0.074,546 2,547 0.75,548 1.031,549 0.347,550 0.16,551 0.142,552 0.172,553 0.071,554 6994,555 18031,556 2.223,557 39.5,559 13,561 1,562 1,567 1.648,568 2.19,569 3.445,570 -0.326,572 1,574 1,575 59.004,576 1.553,577 3.255,578 4.023,579 4.827,580 4.985,581 5.037,582 2.871,583 3.567,584 4.501,585 3.57,586 903.198,587 7.698,588 10716.3,589 1,590 1,591 1,592 1,593 199.421,594 0.828,595 4.498,596 0.135,597 0.005,598 0.057,599 0.022,600 0.041,601 0.017,602 0.009,603 0.008,604 0.01,605 0.004,606 0.307,607 0.5,608 1,610 109.956,611 0.02,612 0.004,613 0.068,614 -0.039,615 -0.043,616 0.011,617 -0.134,618 -0.079,619 -0.07,620 -0.071,621 -0.115,622 -0.065,623 -0.02,624 -0.031,625 -0.062,626 0.002,627 0.004,628 -0.032,629 -0.15,630 -0.222,631 -0.176,632 -0.187,633 -0.147,634 -0.186,635 -0.024,636 -0.093,637 -0.074,638 -0.068,639 -0.054,640 -0.077,641 0.186,642 -0.041,643 0.124,644 0.034,645 0.209,646 0.058,647 -0.009,648 0.162,649 0.046,650 0.151,651 -0.099,652 0.123,653 -0.013,654 0.216,655 -0.044,656 0.1,657 -0.087,658 0.045,659 0.961,660 2.057,661 0.87,662 18.397,663 1.007,664 1.116,665 3.14,666 9.858,667 0.697,668 3.296,669 3.584,670 3.85,671 4.094,672 4.344,673 4.29,674 4.344,675 4.419,676 4.511,677 4.382,678 6.469,679 0.675,680 305.36,681 3.296,682 4.812,683 5.652,684 6.509,685 7.361,686 8.22,687 9.075,688 9.935,689 10.792,690 11.652,691 7.9,696 1,700 1,701 1,708 2,709 9,710 1,714 4,716 17,735 2,738 38,739 18,740 2,741 26,743 41,744 18,745 15,746 5,747 7,748 1,752 4,753 6,755 1,768 16,769 2,772 1,780 1,781 1,786 1,789 15,790 5,791 1,792 5,797 3,803 0.5,804 2,816 1,823 4,827 2,855 2,862 23,869 2,871 1,872 2,886 5.3,891 2,893 10.5,894 6.817,895 5.056,896 2.21,898 4.032,899 1.549,900 1.027,901 3.824,902 11.375,903 3.597,904 4.205,905 4.816,906 5.407,907 5.993,908 6.204,909 6.548,910 6.897,911 7.268,912 7.316,913 1,914 34,915 8.439,917 3.556,918 7.609,919 16.208,921 13.155,924 2.109,925 48.5,929 164.795,930 124.236,931 51.337,933 22,936 124.236,937 186.795,938 51.337,940 9.185,941 85.286,942 55.492,943 57.052,944 2.328,945 153.024,947 164.795,948 175.573,949 22,952 164.795,953 22,956 27.992,957 103.86,958 43.721,960 164.795,961 73.337,962 124.236,965 164.795,966 29.902,967 94.334,968 17.888,969 55.448,970 164.795,971 73.337,972 124.236,973 0.57,974 0.332,975 0.184,976 0.103,977 18,978 6,979 0.073,980 3,981 2,982 1.2,983 3.786,984 179.932,985 0.2,986 20,987 104.042,993 14.036,994 6.266,995 3.124,996 2.042,997 73.337,998 17.641,999 4.507,1003 3.168,1005 17.888,1006 362.368,1007 35.5,1015 1.731,1016 4.234,1020 38.262,1021 42.405,1022 0.296,1023 0.62,1024 0.767,1025 0.92,1026 0.95,1027 0.96,1028 4.798,1029 1.408,1030 5.595,1031 3.071,1032 4.263,1033 4.89,1034 1.376,1035 6.344,1036 4.174,1037 5.987,1038 1.135,1039 7.104,1040 3.008,1041 3.611,1042 4.559,1044 7.081,1045 3.492,1046 7.276,1047 0.714,1048 8.712,1049 2.51,1050 5.79,1051 7.115,1052 1.159,1053 10.166,1054 5.624,1055 8.602,1056 0.653,1057 10.381,1058 1.643,1059 5.994,1060 7.66,1062 11.755,1063 5.794,1064 9.962,1065 0.064,1066 12.089,1067 1.513,1068 7.581,1069 9.629,1070 0.963,1071 14.307,1072 7.344,1073 11.345,1074 -0.385,1075 13.825,1076 0.159,1077 8.215,1078 10.612,1080 16.251,1081 7.939,1082 12.747,1083 -0.618,1084 15.579,1085 -0.92,1086 9.527,1087 12.311,1088 0.787,1089 18.605,1090 9.219,1091 2.928,1092 -0.618,1093 17.347,1094 -1.561,1095 10.38,1096 13.521,1098 20.703,1099 10.032,1100 2.918,1101 9.228,1102 19.126,1103 -1.597,1104 11.561,1105 15.089,1106 0.634,1107 22.979,1108 11.182,1109 2.351,1110 9.223,1111 20.912,1112 4.336,1113 12.525,1114 16.417,1116 25.145,1117 12.105,1118 2.231,1119 6.758,1120 22.705,1121 3.931,1122 13.645,1123 17.923,1124 0.504,1125 27.39,1126 13.194,1127 1.618,1128 6.591,1129 24.503,1130 3.097,1131 14.664,1132 19.312,1134 29.586,1135 14.174,1136 1.618,1137 4.375,1138 26.305,1139 2.952,1140 15.757,1141 20.789,1142 0.395,1143 31.817,1144 15.235,1145 1.45,1146 4.364,1147 28.11,1148 2.427,1149 16.802,1150 22.209,1152 34.027,1153 16.242,1154 6384,1155 10381,1156 18.375,1157 26.495,1158 38.44,1159 38.883,1160 38.411,1161 38.173,1162 38.177,1163 51.892,1164 3.44,1165 104.888,1166 36.418,1167 5.35,1168 5.251,1169 5.871,1170 5.039,1171 4.928,1172 7.336,1173 1.72,1174 15.539,1175 4.853,1177 1.478,1178 1.496,1179 1.477,1180 1.468,1181 1.468,1182 1.996,1183 0.132,1184 4.034,1185 1.401,1186 4.065,1187 4.096,1188 4.024,1189 3.991,1190 5.038,1191 3.994,1192 3.951,1193 3.965,1194 3.905,1195 3.858,1196 4.946,1197 3.865,1198 3.553,1199 3.61,1200 3.474,1201 3.382,1202 4.691,1203 3.391,1204 3.45,1205 3.498,1206 3.337,1207 3.281,1208 4.363,1209 3.29,1210 3.194,1211 3.268,1212 3.081,1213 3.001,1214 4.221,1215 3.013,1216 2.985,1217 3.045,1218 2.886,1219 2.853,1220 4.158,1221 2.853,1222 2.883,1223 2.928,1224 2.77,1225 2.712,1226 3.955,1227 2.713,1228 2.733,1229 2.792,1230 2.623,1231 2.606,1232 3.516,1233 2.604,1234 0.169,1235 0.125,1236 0.238,1237 0.15,1238 0.113,1239 4.406,1240 0.167,1241 3.251,1242 0.033,1243 6.184,1244 0.355,1245 3.899,1246 0.11,1247 2.928,1248 4.336,1249 0.86,1250 9.228,1251 2.853,1252 2.029,1253 2.004,1254 2.111,1255 2.121,1256 1.202,1257 2.119,1258 1.904,1259 1.889,1260 1.996,1261 2.026,1262 1.118,1263 2.015,1264 1.492,1265 1.443,1266 1.7,1267 1.718,1268 0.929,1269 1.707,1270 1.427,1271 1.38,1272 1.629,1273 1.607,1274 0.663,1275 1.62,1276 1.143,1277 1.074,1278 1.332,1279 1.373,1280 0.315,1281 1.373,1282 0.972,1283 0.917,1284 1.191,1285 1.147,1286 0.235,1287 1.164,1288 0.848,1289 0.798,1290 1.103,1291 1.074,1292 0.158,1293 1.081,1294 0.719,1295 0.667,1296 0.941,1297 0.91,1298 0.055,1299 0.926,1300 3.97,1302 5.263,1304 6.767,1306 8.368,1308 10.014,1315 1.169,1317 2.952,1318 11.055,1326 25.655,1327 59.004,1328 123.673,1329 152.892,1330 183.421,1331 189.421,1332 191.421,1333 24.043,1334 7.343,1335 55.74,1336 55.74,1337 24,1338 12.202,1339 4.248,1340 3.392,1341 32.203,1342 92,1343 69,1344 0.17,1345 155.888,1346 264.64,1347 372.126,1348 17116,1350 15.485,1351 0.673,1352 0.539,1353 15.485,1354 12.399,1355 11.382,1356 0.438,1357 0.286,1358 7.316,1359 10.919,1360 7.2,1361 5.94,1362 11.382,1363 7.429,1364 9.898,1365 0.283,1366 0.147,1367 9.898,1368 5.162,1369 8.521,1370 0.185,1371 0.077,1372 8.521,1373 3.557,1374 7.161,1375 0.121,1376 0.041,1377 7.161,1378 2.441,1379 6.086,1380 0.08,1381 0.022,1382 6.086,1383 1.678,1384 0.276,1385 71.472,1386 0.233,1387 23.103,1388 0.443,1389 122,1390 365.094,1391 134.304,1392 349.765,1393 489.92,1394 332,1395 142,1396 370.825,1397 155.136,1398 372.161,1399 542.88,1400 352,1401 6.796}
{0 CHEMBL1366189,1 1.708,2 10.032,3 3.14,4 9.858,5 117.181,6 8.177,7 0.5,8 4.105,9 4.193,10 3.886,11 3.658,12 5.216,13 3.632,14 4.655,15 4.804,16 4.219,17 4.039,18 5.901,19 4.008,20 4.843,21 4.99,22 4.368,23 4.199,24 6.001,25 4.143,26 4.999,27 5.135,28 4.392,29 4.246,30 6.364,31 4.193,32 5.077,33 5.27,34 4.247,35 4.202,36 6.453,37 4.135,38 4.974,39 5.175,40 4.275,41 4.18,42 6.128,43 4.124,44 4.973,45 5.135,46 4.325,47 4.211,48 6.294,49 4.168,50 4.997,51 5.181,52 4.128,53 4.225,54 6.179,55 4.14,56 0.157,57 0.8,58 12.587,59 5.38,60 18.455,61 6.082,62 0.519,63 1.287,64 21.936,65 8.682,66 54.201,67 10.29,68 0.555,69 1.552,70 30.657,71 11.022,72 49.884,73 12.05,74 0.931,75 1.717,76 39.662,77 13.061,78 104.245,79 13.84,80 1.146,81 1.716,82 39.781,83 12.943,84 175.808,85 15.218,86 0.653,87 1.617,88 36.677,89 12.397,90 84.92,91 14.747,92 0.989,93 1.622,94 34.47,95 12.013,96 102.923,97 13.661,98 0.81,99 1.631,100 37,101 13.105,102 98.98,103 15.338,104 38,105 50,106 0.28,107 0.602,108 0.758,109 0.837,110 0.852,111 0.852,112 3.473,113 0.992,114 -3.25,115 -3.24,116 -3.11,120 40.7,121 2,122 1,125 1,126 2,143 8,144 1,145 4,147 1,153 1,159 1,167 1,174 7,176 4,177 9,185 7,188 2,189 8,197 6,200 6,201 14,209 2,213 5,214 13,227 11,235 4,239 6,240 15,247 10,251 2,252 4,260 10,263 2,264 10,271 12,274 1778,275 20.626,276 20.626,277 20.626,278 20.626,279 20.626,280 18.103,281 24.158,282 11.774,283 21.097,284 16.654,285 16.654,286 16.654,287 16.654,288 16.654,289 12.746,290 28.316,291 5.425,292 17.352,293 4.047,294 2.085,295 1.13,296 0.649,297 0.56,298 0.56,299 4.159,306 1,307 1,308 669,309 4.243,312 171.668,313 201.226,316 140.576,320 1.263,321 47.031,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 68.5,333 311,334 5.012,335 4.773,336 7.827,337 4.538,338 3.612,339 4.853,340 1.985,341 14.423,342 3.324,343 4.388,344 3.787,345 6.684,346 4.096,347 3.134,348 3.917,349 0.86,350 10.766,351 3.015,352 4.157,353 3.093,354 6.403,355 3.777,356 2.808,357 3.747,358 0.624,359 9.411,360 2.719,361 3.944,362 2.965,363 5.635,364 3.474,365 2.511,366 3.541,367 0.375,368 7.26,369 2.417,370 3.704,371 2.781,372 5.564,373 3.342,374 2.343,375 2.968,377 7.198,378 2.33,379 3.471,380 2.497,381 5.244,382 3.053,383 2.109,384 2.754,386 6.42,387 1.976,388 3.055,389 2.041,390 4.732,391 2.713,392 1.732,393 2.224,395 4.726,396 1.696,397 2.946,398 1.997,399 4.55,400 2.545,401 1.548,402 2.116,404 4.344,405 1.543,406 2.874,407 1.671,408 4.313,409 2.499,410 1.513,411 1.987,413 3.601,414 1.486,415 2.5,416 1.584,417 3.962,418 2.089,419 1.129,420 1.5,422 2.899,423 1.079,424 2.431,425 1.201,426 3.648,427 2,428 1,429 1.407,431 2.445,432 1,433 2.311,434 1.052,435 3.531,436 1.928,437 0.95,438 1.235,440 2.275,441 0.922,442 2.123,443 1,444 3.414,445 1.73,446 0.759,447 0.971,449 1.916,450 0.732,451 1.71,452 0.949,453 3.078,454 1.445,455 0.5,456 0.574,458 1.058,459 0.463,460 1.6,461 0.674,462 2.863,463 1.291,464 0.359,465 0.432,467 0.645,468 0.335,469 14.7,470 0.474,471 0.934,472 0.03,473 42.25,474 1.363,475 22,476 0.71,477 20.25,478 0.653,479 26.81,480 0.865,481 33.9,482 0.628,483 36.06,484 1.163,485 8.384,486 0.27,487 6.44,488 0.208,489 0.17,490 0.057,491 0.327,496 0.563,497 1.402,498 0.771,499 1.282,500 0.601,501 0.992,502 0.778,503 1.073,504 0.73,505 0.848,506 0.576,507 0.798,508 1.103,509 1.111,510 1.132,511 1.126,512 1.033,513 0.971,514 1.201,515 1.292,516 1.496,517 1.464,518 1.43,519 1.211,520 1.269,521 0.929,522 1.057,523 0.892,524 1.715,525 0.956,526 1.097,527 0.998,528 0.898,529 0.927,530 1.212,531 0.83,532 1.116,533 0.96,534 1.06,535 0.981,536 1.205,537 0.949,538 1.109,539 0.955,540 1.212,541 1.082,542 1.227,543 1.082,544 7,545 0.138,546 5.111,547 3.542,548 2.134,549 1.25,550 1.118,551 0.797,552 0.508,553 0.328,554 11380,555 33322,556 2.038,557 42.6,559 15,563 6,564 2,567 1.746,568 1.869,569 3.235,570 -0.703,572 1,575 92.25,576 1.708,577 3.67,578 4.625,579 5.106,580 5.194,581 5.194,582 2.61,583 4.567,584 4.926,585 3.413,586 1587.24,587 8.659,588 21923.6,590 1,592 1,593 310.764,594 1.663,595 4.859,596 0.206,597 0.006,598 0.102,599 0.067,600 0.04,601 0.026,602 0.022,603 0.015,604 0.011,605 0.009,606 0.503,607 0.33,608 1,609 0.778,610 157.354,611 0.123,612 -0.216,613 0.211,614 -0.131,615 -0.086,616 -0.021,617 0.126,618 0.031,619 0.186,620 0.141,621 0.168,622 0.142,623 -0.112,624 0.015,625 0.005,626 -0.003,627 -0.092,628 -0.018,629 0.011,630 -0.199,631 -0.26,632 -0.302,633 0.009,634 -0.269,635 -0.048,636 0.044,637 -0.067,638 0.049,639 -0.01,640 -0.017,641 -0.1,642 -0.006,643 0.127,644 0.074,645 -0.074,646 0.153,647 0.059,648 0.072,649 -0.056,650 0.013,651 0.019,652 -0.016,653 -0.11,654 0.034,655 -0.221,656 -0.07,657 -0.109,658 -0.101,659 5.022,660 6.61,661 0.645,662 26.541,663 1.016,664 1.122,665 2.021,666 4.086,667 0.677,668 3.555,669 3.932,670 4.248,671 4.533,672 4.644,673 4.7,674 4.852,675 4.934,676 4.963,677 4.997,678 6.115,679 0.65,680 441.55,681 3.555,682 5.13,683 6.009,684 6.921,685 7.816,686 8.733,687 9.635,688 10.554,689 11.461,690 12.382,691 5.6,697 1,698 1,701 1,709 8,710 1,712 1,714 7,716 17,735 1,738 54,739 20,740 2,741 34,743 57,744 22,745 15,746 4,747 8,752 4,753 5,759 2,763 1,766 1,768 16,769 6,772 3,776 1,778 3,782 1,786 1,789 23,790 8,792 9,793 1,796 1,797 3,803 0.75,804 5,822 2,823 2,826 1,839 1,855 3,857 1,859 3,862 31,866 1,869 3,872 1,875 2,886 9.3,889 3,891 2,893 16.583,894 10.767,895 6.75,896 3.099,898 2.149,899 1.29,900 0.984,901 5.887,902 9.57,903 3.839,904 4.48,905 5.02,906 5.57,907 5.916,908 6.023,909 6.338,910 6.554,911 6.678,912 6.921,913 0.857,914 53,915 11.897,917 5.514,918 7.944,919 21.663,921 18.003,924 2.444,925 75.75,928 1,929 270.735,930 145.3,931 24.239,933 90.192,935 5.807,936 139.493,937 360.927,938 24.239,939 28.533,940 9.87,941 81.617,942 93.759,943 40.503,944 5.449,945 270.735,947 270.735,948 163.732,949 90.192,950 5.807,952 247.193,953 113.734,956 30.277,957 113.858,958 25.404,960 270.735,961 114.431,962 145.3,964 5.807,965 270.735,966 35.149,967 108.986,969 109.788,970 270.735,971 114.431,972 145.3,973 0.594,974 0.366,975 0.201,976 0.097,977 25,978 12,979 0.105,980 6,981 1,982 1.1,983 3.982,984 295.958,985 0.1,986 20,987 147.58,992 1,993 21.565,994 8.463,995 3.988,997 114.431,998 14.178,999 3.776,1001 5.084,1003 3.208,1006 530.467,1007 45.5,1011 -4.105,1013 40.477,1017 -0.309,1020 54.854,1021 60.614,1022 0.297,1023 0.638,1024 0.804,1025 0.887,1026 0.903,1027 0.903,1028 5.107,1029 1.548,1030 6.047,1031 4.726,1032 4.615,1033 5.168,1034 2.306,1035 6.963,1036 4.534,1037 6.357,1038 1.513,1039 7.683,1040 4.344,1041 4.443,1042 5.255,1043 1.668,1044 8.264,1045 4.284,1046 7.719,1047 1.129,1048 9.436,1049 3.601,1050 6.344,1051 7.471,1052 3.135,1053 11.399,1054 6.151,1055 9.126,1056 1,1057 11.263,1058 2.899,1059 7.013,1060 8.393,1061 3.205,1062 13.573,1063 6.719,1064 10.572,1065 0.95,1066 13.141,1067 2.445,1068 8.444,1069 10.148,1070 4.299,1071 16.337,1072 8.108,1073 12.046,1074 0.759,1075 15.055,1076 2.275,1077 9.461,1078 11.424,1079 4.676,1080 18.823,1081 9.019,1082 13.544,1083 0.5,1084 16.998,1085 1.916,1086 10.752,1087 13.033,1088 5.581,1089 21.503,1090 10.25,1091 3.612,1092 0.359,1093 18.962,1094 1.058,1095 11.911,1096 14.466,1097 6.104,1098 24.1,1099 11.308,1100 3.134,1101 14.423,1102 20.944,1103 0.645,1104 13.167,1105 16.034,1106 6.909,1107 26.763,1108 12.49,1109 2.808,1110 10.766,1111 22.939,1112 4.853,1113 14.385,1114 17.539,1115 7.507,1116 29.402,1117 13.612,1118 2.511,1119 9.411,1120 24.945,1121 3.917,1122 15.638,1123 19.1,1124 8.258,1125 32.064,1126 14.782,1127 2.343,1128 7.26,1129 26.96,1130 3.747,1131 16.884,1132 20.64,1133 8.895,1134 34.719,1135 15.934,1136 2.109,1137 7.198,1138 28.983,1139 3.541,1140 18.143,1141 22.203,1142 9.617,1143 37.383,1144 17.106,1145 1.732,1146 6.42,1147 31.011,1148 2.968,1149 19.401,1150 23.76,1151 10.276,1152 40.046,1153 18.273,1154 10954,1155 18955,1156 22.076,1157 36.551,1158 52.306,1159 54.032,1160 54.817,1161 52.014,1162 52.014,1163 68.454,1164 7.69,1165 158.774,1166 50.071,1167 5.976,1168 6.773,1169 7.508,1170 5.639,1171 5.612,1172 7.853,1173 3.458,1174 23.061,1175 5.324,1176 17.168,1177 1.538,1178 1.589,1179 1.612,1180 1.53,1181 1.53,1182 2.013,1183 0.226,1184 4.67,1185 1.473,1186 4.127,1187 4.116,1188 4.749,1189 4.073,1190 7.715,1191 4.001,1192 3.995,1193 4.019,1194 3.95,1195 3.915,1196 7.427,1197 3.908,1198 3.872,1199 3.892,1200 3.824,1201 3.786,1202 6.999,1203 3.782,1204 3.615,1205 3.63,1206 3.699,1207 3.423,1208 5.187,1209 3.423,1210 3.464,1211 3.486,1212 3.44,1213 3.301,1214 4.865,1215 3.281,1216 3.265,1217 3.292,1218 3.151,1219 3.09,1220 4.751,1221 3.075,1222 3.222,1223 3.287,1224 3.048,1225 3.004,1226 4.378,1227 2.978,1228 3.19,1229 3.282,1230 2.953,1231 2.949,1232 4.038,1233 2.957,1234 0.147,1235 0.14,1236 0.23,1237 0.133,1238 0.106,1239 5.012,1240 0.143,1241 4.773,1242 0.058,1243 7.827,1244 0.424,1245 4.538,1246 0.098,1247 3.612,1248 4.853,1249 1.985,1250 14.423,1251 3.324,1252 1.93,1253 1.93,1254 2.001,1255 2.039,1256 1.188,1257 2.054,1258 1.883,1259 1.858,1260 1.987,1261 1.962,1262 1.174,1263 1.974,1264 1.751,1265 1.763,1266 1.789,1267 1.848,1268 1.006,1269 1.876,1270 1.551,1271 1.497,1272 1.759,1273 1.764,1274 0.999,1275 1.766,1276 1.361,1277 1.305,1278 1.654,1279 1.662,1280 0.781,1281 1.644,1282 1.354,1283 1.299,1284 1.589,1285 1.575,1286 0.694,1287 1.598,1288 1.18,1289 1.135,1290 1.536,1291 1.473,1292 0.571,1293 1.503,1294 1.142,1295 1.1,1296 1.181,1297 1.362,1298 0.455,1299 1.396,1300 4.234,1302 5.595,1303 3.045,1304 7.151,1305 5.416,1306 8.796,1307 7.516,1308 10.489,1310 4.632,1315 0.897,1318 5.178,1321 2.733,1326 35.093,1327 92.25,1328 198.161,1329 249.744,1330 275.744,1331 280.499,1332 280.499,1333 75.561,1334 7.422,1335 92.95,1336 101.33,1337 22,1338 12.892,1339 4.392,1340 3.644,1341 48.915,1342 106,1343 134,1344 0.212,1345 217.377,1346 378.72,1347 522.159,1348 14859,1350 22.173,1351 0.715,1352 0.592,1353 22.423,1354 18.348,1355 14.824,1356 0.436,1357 0.331,1358 9.76,1359 13.372,1360 9.321,1361 7.736,1362 15.612,1363 11.246,1364 13.837,1365 0.277,1366 0.182,1367 15.1,1368 9.086,1369 11.901,1370 0.172,1371 0.107,1372 13.27,1373 7.362,1374 10.323,1375 0.112,1376 0.06,1377 11.895,1378 5.533,1379 7.359,1380 0.071,1381 0.032,1382 8.497,1383 3.311,1384 0.321,1385 101.937,1386 0.213,1387 28.414,1388 0.618,1389 168,1390 558.473,1391 228.047,1392 546.778,1393 743.35,1394 506,1395 203,1396 527.464,1397 277.402,1398 563.536,1399 824.25,1400 527,1401 4.251}
{0 CHEMBL1366836,1 1.818,2 15.848,3 5.278,4 27.855,5 134.41,6 8.903,7 0.486,8 4.136,9 4.237,10 3.881,11 3.709,12 5.29,13 3.67,14 4.642,15 4.793,16 4.238,17 4.05,18 5.756,19 3.99,20 4.831,21 5.006,22 4.399,23 4.163,24 5.952,25 4.075,26 4.851,27 5.043,28 4.148,29 4.118,30 5.942,31 4.014,32 4.86,33 5.075,34 4.144,35 4.105,36 5.951,37 3.965,38 4.836,39 5.069,40 4.065,41 4.044,42 5.854,43 3.888,44 4.745,45 4.967,46 3.968,47 3.95,48 5.756,49 3.834,50 4.712,51 4.928,52 4.044,53 3.924,54 5.788,55 3.849,56 0.107,57 0.808,58 9.251,59 5.219,60 11.627,61 6.112,62 0.415,63 1.259,64 23.188,65 8.834,66 29.584,67 10.206,68 0.576,69 1.417,70 37.498,71 11.331,72 50.845,73 12.777,74 0.632,75 1.491,76 32.464,77 10.63,78 58.121,79 12.089,80 0.752,81 1.511,82 34.693,83 11.633,84 69.261,85 14.013,86 0.642,87 1.442,88 39.415,89 12.346,90 63.259,91 15.05,92 0.53,93 1.259,94 34.551,95 10.983,96 54.228,97 13.101,98 0.589,99 1.252,100 32.085,101 9.143,102 54.977,103 10.794,104 31,105 46,106 0.297,107 0.635,108 0.809,109 0.854,110 0.871,111 0.882,112 3.531,113 1.021,114 -5.52,115 -5.39,116 -5.03,120 40.4,122 1,125 1,126 4,135 1,136 1,143 7,144 1,145 4,159 1,162 1,163 1,167 1,174 6,176 2,177 10,180 1,182 2,185 6,189 10,194 2,197 8,201 4,204 2,206 1,209 6,213 3,214 3,217 1,219 1,222 6,226 3,227 3,232 3,235 3,239 1,240 11,245 1,247 1,252 14,260 3,264 6,267 1,271 9,274 2360,275 22.43,276 22.43,277 22.43,278 22.43,279 22.43,280 20.034,281 25.101,282 13.498,283 23.418,284 17.136,285 17.136,286 17.136,287 17.136,288 17.136,289 13.427,290 24.444,291 6.21,292 18.774,293 4.015,294 1.947,295 0.884,296 0.61,297 0.504,298 0.434,299 4.214,303 2,308 1094,309 4.123,312 112.253,313 266.734,320 2.771,321 33.364,324 0.5,325 0.67,326 0.67,327 0.7,328 0.5,329 0.67,330 0.5,331 0.6,332 71.667,333 523,334 4.405,335 4.438,336 6.523,337 3.953,338 3.052,339 4.075,340 2.95,341 10.257,342 2.824,343 4.292,344 3.572,345 6.131,346 3.873,347 2.915,348 3.939,349 1.058,350 8.92,351 2.746,352 4.035,353 3.271,354 5.748,355 3.6,356 2.65,357 3.634,358 0.86,359 7.525,360 2.512,361 3.836,362 3.133,363 5.48,364 3.409,365 2.503,366 3.191,367 0.86,368 7.337,369 2.138,370 3.485,371 2.947,372 5.132,373 3.113,374 2.206,375 2.766,376 0.522,377 6.273,378 1.991,379 3.262,380 2.686,381 5.105,382 2.922,383 2.035,384 2.433,386 6.004,387 1.793,388 2.904,389 2.505,390 4.263,391 2.553,392 1.628,393 1.97,395 3.984,396 1.486,397 2.866,398 2.165,399 4.184,400 2.438,401 1.479,402 1.936,404 3.721,405 1.387,406 2.816,407 2.005,408 4.024,409 2.306,410 1.414,411 1.905,413 3.497,414 1.239,415 2.517,416 1.913,417 3.607,418 2.288,419 1.373,420 1.515,422 2.979,423 1.195,424 2.5,425 1.531,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.437,434 1.472,435 3.333,436 1.907,437 0.941,438 1.273,440 2.113,441 0.891,442 2.178,443 1.051,444 3.117,445 1.821,446 0.847,447 1.083,449 1.557,450 0.82,451 1.789,452 1,453 2.987,454 1.495,455 0.644,456 0.712,458 1.244,459 0.54,460 1.53,461 0.995,462 2.692,463 1.23,464 0.379,465 0.42,467 0.657,468 0.315,469 16.362,470 0.496,471 0.66,472 0.02,473 41,474 1.242,475 20,476 0.606,477 21,478 0.636,479 29.705,480 0.9,481 35.838,482 0.629,483 31.32,484 0.949,485 8.287,486 0.251,487 7.725,488 0.234,489 0.169,491 0.269,496 0.737,497 1.271,498 0.601,499 0.942,500 0.626,501 0.907,502 0.996,503 1.15,504 0.801,505 0.981,506 0.699,507 0.898,508 1.155,509 1.139,510 0.917,511 1.006,512 0.962,513 0.925,514 1.307,515 1.026,516 1.079,517 0.993,518 1.449,519 1.075,520 0.691,521 1.06,522 0.912,523 1.071,524 0.976,525 1.089,526 0.552,527 1.1,528 0.954,529 1.21,530 0.567,531 1.065,532 1.016,533 1.101,534 0.923,535 0.996,536 0.842,537 0.928,538 1.256,539 0.993,540 0.909,541 0.826,542 1.133,543 0.821,544 6,545 0.219,546 4,547 1.854,548 1.491,549 0.768,550 0.462,551 0.409,552 0.314,553 0.257,554 17530,555 60009,556 2.011,557 42.1,559 21,562 1,563 2,567 1.748,568 1.886,569 3.913,570 -0.292,575 103.639,576 1.818,577 3.886,578 4.949,579 5.223,580 5.328,581 5.399,582 3.415,583 4.863,584 5.012,585 4.117,586 2173.76,587 8.756,588 35759.9,593 332.475,594 1.382,595 4.975,596 0.171,597 0.006,598 0.087,599 0.039,600 0.037,601 0.021,602 0.014,603 0.012,604 0.008,605 0.007,606 0.403,607 0.17,608 0.63,609 0.963,610 181.147,611 -0.012,612 -0.112,613 0.031,614 -0.039,615 -0.037,616 -0.021,617 -0.028,618 -0.048,619 0.024,620 -0.002,621 0.017,622 0.02,623 -0.094,624 -0.107,625 0.083,626 0.013,627 -0.005,628 0.033,629 -0.263,630 0.06,631 -0.2,632 -0.056,633 -0.256,634 -0.164,635 0.15,636 0.005,637 -0.035,638 -0.069,639 0.058,640 -0.12,641 0.207,642 -0.072,643 0.016,644 -0.122,645 0.205,646 -0.038,647 -0.049,648 -0.138,649 0.006,650 0.01,651 0.034,652 0.074,653 -0.193,654 0.036,655 -0.004,656 0.085,657 -0.107,658 0.114,659 1.895,660 5.345,661 0.515,662 44.713,663 1.015,664 1.123,665 4.288,666 18.386,667 0.704,668 3.584,669 3.85,670 4.078,671 4.234,672 4.369,673 4.331,674 4.29,675 4.277,676 4.382,677 4.511,678 9.102,679 0.664,680 507.48,681 3.584,682 5.094,683 5.916,684 6.758,685 7.597,686 8.443,687 9.288,688 10.135,689 10.983,690 11.832,691 7,698 1,699 1,701 2,709 7,710 2,714 7,715 1,716 17,723 1,735 2,737 2,738 57,739 19,740 2,741 35,743 59,744 23,745 14,746 5,747 7,748 1,752 3,753 3,754 2,766 1,768 17,769 6,772 2,773 1,778 1,780 1,782 1,789 24,790 6,791 1,792 10,793 3,797 4,803 1,804 3,822 1,823 2,843 1,845 1,855 3,856 1,857 1,859 1,860 2,862 33,869 5,871 1,872 2,873 1,883 1,885 2,886 5.3,889 1,891 2,893 17.5,894 10.469,895 7.611,896 3.182,898 2.777,899 1.374,900 0.951,901 10.093,902 10.207,903 3.839,904 4.373,905 4.889,906 5.355,907 5.737,908 5.74,909 5.734,910 5.651,911 5.917,912 6.269,913 0.909,914 47,915 12.134,917 4.95,918 7.815,919 22.887,921 17.814,924 2.315,925 76.389,929 270.735,930 175.317,931 53.236,932 78.297,933 47.145,935 32.22,936 143.097,937 396.177,938 53.236,939 10.883,940 46.016,941 75.81,942 65.504,943 45.266,945 302.955,946 78.297,947 270.735,948 196.333,949 47.145,950 110.517,952 270.735,953 47.145,956 35.169,957 118.362,958 121.1,959 32.22,960 270.735,961 100.381,962 253.614,965 270.735,966 72.857,967 88.592,968 18.011,969 174.535,970 270.735,971 100.381,972 253.614,973 0.565,974 0.334,975 0.17,976 0.091,977 18,978 9,979 0.203,980 12,982 1,983 4.556,984 272.656,986 17,987 162.465,989 1,993 25.594,994 13.013,995 7.487,997 98.481,998 12.226,999 8.576,1003 4.308,1004 1.983,1005 18.011,1006 624.73,1007 45.5,1008 3.818,1013 12.345,1015 1.791,1017 -0.228,1020 57.833,1021 63.997,1022 0.312,1023 0.666,1024 0.848,1025 0.895,1026 0.914,1027 0.926,1028 5.045,1029 1.479,1030 5.872,1031 3.984,1032 4.533,1033 5.059,1034 3.184,1035 6.621,1036 4.364,1037 6.223,1038 1.414,1039 7.399,1040 3.721,1041 4.007,1042 4.796,1044 7.434,1045 3.702,1046 7.508,1047 1.373,1048 9.027,1049 3.497,1050 6.071,1051 7.195,1052 5.058,1053 10.481,1054 5.759,1055 8.831,1056 1,1057 10.715,1058 2.979,1059 6.399,1060 7.781,1062 12.142,1063 5.957,1064 10.188,1065 0.941,1066 12.441,1067 2.275,1068 7.886,1069 9.626,1070 7.188,1071 14.691,1072 7.439,1073 11.568,1074 0.847,1075 14.194,1076 2.113,1077 8.608,1078 10.597,1080 16.707,1081 8.046,1082 12.965,1083 0.644,1084 15.965,1085 1.557,1086 9.86,1087 12.208,1088 9.348,1089 19.09,1090 9.279,1091 3.052,1092 0.379,1093 17.751,1094 1.244,1095 10.771,1096 13.37,1098 21.265,1099 10.089,1100 2.915,1101 10.257,1102 19.548,1103 0.657,1104 11.924,1105 14.869,1106 11.511,1107 23.593,1108 11.206,1109 2.65,1110 8.92,1111 21.355,1112 4.075,1113 12.926,1114 16.131,1116 25.842,1117 12.119,1118 2.503,1119 7.525,1120 23.169,1121 3.939,1122 14.038,1123 17.575,1124 13.675,1125 28.154,1126 13.183,1127 2.206,1128 7.337,1129 24.989,1130 3.634,1131 15.085,1132 18.891,1134 30.437,1135 14.147,1136 2.035,1137 6.273,1138 26.815,1139 3.191,1140 16.182,1141 20.306,1142 15.838,1143 32.748,1144 15.187,1145 1.628,1146 6.004,1147 28.646,1148 2.766,1149 17.252,1150 21.653,1152 35.049,1153 16.179,1154 17119,1155 31917,1156 23.057,1157 40.125,1158 50.824,1159 55.611,1160 52.625,1161 50.494,1162 50.338,1163 64.946,1164 12.5,1165 137.132,1166 45.886,1167 5.31,1168 6.438,1169 6.283,1170 5.113,1171 5.052,1172 7.075,1173 5.9,1174 16.907,1175 4.824,1176 18.115,1177 1.452,1178 1.589,1179 1.504,1180 1.443,1181 1.438,1182 1.856,1183 0.357,1184 3.918,1185 1.311,1186 3.984,1187 4.035,1188 4.124,1189 3.89,1190 7.429,1191 3.885,1192 3.91,1193 3.932,1194 4.063,1195 3.82,1196 5.056,1197 3.822,1198 3.896,1199 3.916,1200 3.842,1201 3.754,1202 5.028,1203 3.763,1204 3.538,1205 3.603,1206 3.61,1207 3.392,1208 4.916,1209 3.368,1210 3.485,1211 3.533,1212 3.516,1213 3.374,1214 4.687,1215 3.332,1216 3.385,1217 3.445,1218 3.398,1219 3.167,1220 4.571,1221 3.189,1222 3.232,1223 3.299,1224 3.312,1225 2.985,1226 4.49,1227 2.988,1228 3.115,1229 3.144,1230 3.175,1231 2.939,1232 4.243,1233 2.939,1234 0.126,1235 0.127,1236 0.186,1237 0.113,1238 0.087,1239 4.405,1240 0.116,1241 4.438,1242 0.084,1243 6.523,1244 0.293,1245 3.953,1246 0.081,1247 3.052,1248 4.075,1249 2.95,1250 10.257,1251 2.824,1252 1.894,1253 1.88,1254 1.976,1255 1.985,1256 1.166,1257 1.985,1258 1.868,1259 1.85,1260 1.955,1261 1.982,1262 1.078,1263 1.98,1264 1.728,1265 1.672,1266 1.892,1267 1.906,1268 1.06,1269 1.91,1270 1.536,1271 1.474,1272 1.771,1273 1.734,1274 0.997,1275 1.752,1276 1.466,1277 1.422,1278 1.68,1279 1.654,1280 0.909,1281 1.684,1282 1.202,1283 1.158,1284 1.563,1285 1.494,1286 0.572,1287 1.52,1288 1.18,1289 1.12,1290 1.36,1291 1.44,1292 0.378,1293 1.42,1294 1.081,1295 1.022,1296 1.213,1297 1.36,1298 0.242,1299 1.323,1300 4.263,1302 5.541,1303 2.398,1304 7.006,1305 4.727,1306 8.555,1307 6.804,1308 10.148,1310 1.629,1311 11.889,1315 2.726,1317 2.868,1318 10.908,1319 1.552,1326 37.867,1327 103.639,1328 221.498,1329 282.068,1330 297.72,1331 303.72,1332 307.72,1333 71.901,1334 7.431,1335 78.27,1336 103.57,1337 17,1338 12.391,1339 4.322,1340 3.524,1341 64.606,1342 176,1343 198,1344 0.169,1345 246.903,1346 429.58,1347 594.203,1348 19572,1349 3.5,1350 23.631,1351 0.716,1352 0.619,1353 24.985,1354 20.42,1355 16.012,1356 0.457,1357 0.34,1358 10.157,1359 14.341,1360 9.762,1361 8.081,1362 17.043,1363 11.915,1364 13.565,1365 0.295,1366 0.189,1367 14.89,1368 8.682,1369 11.4,1370 0.197,1371 0.107,1372 12.981,1373 6.234,1374 8.574,1375 0.126,1376 0.059,1377 9.629,1378 3.996,1379 6.63,1380 0.085,1381 0.035,1382 7.764,1383 2.736,1384 0.278,1385 111.462,1386 0.208,1387 31.773,1388 0.432,1389 162,1390 545.742,1391 233.09,1392 597.609,1393 784.62,1394 558,1395 185,1396 505.092,1397 248.374,1398 538.201,1399 781.5,1400 504,1401 4.775}
{0 CHEMBL1367316,1 1.995,2 6.471,3 1.117,4 1.248,5 64.19,6 9.419,7 0.611,8 3.453,9 3.539,10 3.419,11 2.973,12 4.673,13 2.951,14 3.946,15 4.072,16 3.628,17 3.243,18 5.433,19 3.263,20 4.04,21 4.173,22 3.622,23 3.267,24 5.463,25 3.273,26 4.047,27 4.214,28 3.578,29 3.25,30 5.521,31 3.255,32 4.012,33 4.221,34 3.342,35 3.182,36 5.252,37 3.119,38 3.825,39 3.993,40 3.2,41 2.933,42 5.191,43 2.899,44 3.671,45 3.893,46 2.797,47 2.635,48 5.074,49 2.551,50 3.293,51 3.515,52 1.923,53 2.202,54 4.491,55 2.05,56 0.155,57 0.455,58 5.594,59 2.839,60 16.184,61 2.557,62 0.431,63 0.641,64 12.984,65 3.975,66 51.064,67 4.111,68 0.549,69 0.663,70 10.609,71 3.551,72 56.432,73 3.777,74 0.483,75 0.673,76 9.569,77 3.387,78 37.028,79 3.968,80 0.424,81 0.618,82 13.625,83 4.021,84 32.35,85 4.558,86 0.418,87 0.459,88 10.615,89 3.364,90 40.826,91 3.441,92 0.462,93 0.341,94 10.922,95 3.023,96 45.909,97 3.639,98 0.295,99 0.219,100 9.843,101 2.191,102 29.934,103 2.117,104 21,105 26,106 0.387,107 0.682,108 0.783,109 0.841,110 0.841,111 0.841,112 2.909,113 1.09,114 -2.76,115 -2.78,116 -2.69,120 33.3,125 2,143 4,145 2,163 1,167 3,174 2,176 4,177 4,185 3,188 4,189 4,197 1,200 5,201 7,213 1,214 7,226 2,227 4,239 2,240 2,274 301,275 11.049,276 11.049,277 11.049,278 11.049,279 11.049,280 9.466,281 12.173,282 6.388,283 11.562,284 8.827,285 8.827,286 8.827,287 8.827,288 8.827,289 6.357,290 12.162,291 2.928,292 9.62,293 2.759,294 1.241,295 0.723,296 0.426,297 0.426,298 0.426,299 3.552,306 1,307 1,308 223,309 3,312 45.858,313 51.325,320 1.031,321 23.896,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 39,333 110,334 4.863,335 5.191,336 7.285,337 4.271,338 3.407,339 4.729,340 2.95,341 12.434,342 2.954,343 4.211,344 3.114,345 6.173,346 3.734,347 2.792,348 3.858,349 0.86,350 9.047,351 2.589,352 3.764,353 2.78,354 5.337,355 3.283,356 2.349,357 3.276,359 6.831,360 2.183,361 3.19,362 2.307,363 4.739,364 2.712,365 1.757,366 2.451,368 4.902,369 1.671,370 2.698,371 1.606,372 3.831,373 2.219,374 1.236,375 1.787,377 2.733,378 1.212,379 2.373,380 1.305,381 3.488,382 1.823,383 0.872,384 1.287,386 2.242,387 0.822,388 2.272,389 0.938,390 3.395,391 1.755,392 0.783,393 1.16,395 2.01,396 0.758,397 1.583,398 0.789,399 2.696,400 1.292,401 0.426,402 0.48,404 0.621,405 0.366,406 1,407 0.431,408 2.61,409 0.356,410 -0.607,411 -0.799,413 -1.361,414 -0.574,415 0.785,416 -0.187,417 2.355,418 0.143,419 -0.808,420 -1.029,422 -2.054,423 -0.745,424 0.586,425 -0.385,426 2,428 -1,429 -1.206,431 -3,432 -0.784,433 0.364,434 -0.71,435 2,436 -0.181,437 -1,438 -1.601,440 -3,441 -1,442 0.166,443 -1,444 1.655,445 -0.246,446 -1.159,447 -1.955,449 -3,450 -1.049,451 -0.088,452 -1.228,453 1.527,454 -0.618,455 -1.544,456 -2,458 -4.149,459 -1.393,460 -0.464,461 -1.443,462 1.447,463 -0.769,464 -1.649,465 -2.213,467 -4.911,468 -1.488,469 7.933,470 0.467,471 0.566,472 0.033,473 24.25,474 1.426,475 13.5,476 0.794,477 10.75,478 0.632,479 9.827,480 0.578,481 19.067,482 0.706,483 16.549,484 0.973,485 4.911,486 0.289,487 3.109,488 0.183,489 0.21,490 0.105,491 0.239,496 0.515,497 1.177,498 0.8,499 1.358,500 0.661,501 0.993,502 0.888,503 1.168,504 1.003,505 1.209,506 0.634,507 0.833,508 1.173,509 1.168,510 0.863,511 0.88,512 1.344,513 0.952,514 0.811,515 1.088,516 0.741,517 0.791,518 0.685,519 0.942,520 0.93,521 0.996,522 1.096,523 0.991,524 0.653,525 1.01,526 1.195,527 1.027,528 1.102,529 1.139,530 1.381,531 1.182,532 0.836,533 0.822,534 0.949,535 0.909,536 0.969,537 1.021,538 1.701,539 0.792,540 2.01,541 1.361,542 1.374,543 1.361,544 4.5,546 2.222,547 1.306,548 1.207,549 0.493,550 0.346,551 0.218,554 1981,555 8039,556 1.947,557 37,559 10,567 1.575,568 1.774,569 2.746,570 -0.519,574 1,575 53.878,576 1.995,577 3.514,578 4.032,579 4.329,580 4.329,581 4.329,582 2.184,583 3.499,584 4.062,585 2.83,586 384.901,587 6.893,588 3439.39,590 1,593 128.382,594 1.735,595 3.975,596 0.25,598 0.085,599 0.054,600 0.05,601 0.027,602 0.025,603 0.024,606 0.516,607 0.67,608 1,609 1.095,610 68.925,611 0.167,612 0.103,613 0.239,614 -0.111,615 -0.134,616 -0.043,617 0.069,618 -0.092,619 0.019,620 -0.107,621 0.234,622 0.117,623 -0.106,624 -0.158,625 -0.043,626 0.019,627 -0.19,628 -0.082,629 0.061,630 -0.042,631 -0.013,632 -0.006,633 0.106,634 -0.09,635 -0.144,637 -0.111,638 -0.03,639 0.006,640 -0.029,641 -0.135,642 -0.09,643 -0.142,644 -0.184,645 -0.216,646 -0.24,647 0.233,648 -0.039,649 0.076,650 0.008,651 0.138,652 0.021,653 -0.538,654 0.047,655 -0.688,656 -0.229,657 -0.243,658 -0.327,659 4.388,660 4.448,661 0.647,662 9.218,663 1.041,664 1.14,665 1.532,666 2.347,667 0.678,668 2.944,669 3.296,670 3.497,671 3.738,672 3.829,673 3.784,674 3.761,675 3.714,676 3.526,677 3.178,678 4.12,679 0.667,680 254.3,681 2.944,682 4.489,683 5.323,684 6.221,685 7.081,686 7.98,687 8.85,688 9.748,689 10.624,690 11.521,691 14.8,699 1,701 3,709 4,710 3,714 3,715 1,716 11,735 1,738 27,739 13,740 1,741 18,743 28,744 9,745 7,746 2,747 4,752 2,753 2,768 7,769 2,772 2,776 1,778 2,786 1,789 10,790 6,792 8,793 1,797 4,803 1,804 3,822 1,823 1,855 2,857 1,859 2,862 17,865 1,872 1,886 11.1,889 2,891 1,893 9.583,894 5.55,895 3.722,896 1.298,898 2.338,899 1.392,900 0.947,901 3.026,902 8.299,903 3.277,904 3.946,905 4.438,906 5.023,907 5.423,908 5.663,909 5.915,910 6.222,911 6.405,912 6.343,913 1,914 24,915 6.389,917 2.868,918 8.23,919 11.341,921 8.938,924 2.73,925 46.417,926 0.001,929 117.711,930 70.718,931 51.521,933 55.313,935 6.046,936 64.672,937 173.024,938 51.521,939 18.073,941 43.951,942 94.057,943 21.47,945 117.711,947 117.711,948 116.192,949 55.313,950 6.046,952 117.711,953 55.313,956 2.47,957 63.979,958 55.79,960 117.711,961 106.833,962 70.718,964 6.046,965 117.711,966 8.693,967 57.755,969 105.057,970 117.711,971 106.833,972 70.718,973 0.589,974 0.334,975 0.177,976 0.091,977 13,978 6,979 0.107,980 3,982 1,983 2.801,984 117.313,986 11,987 67.487,992 1,993 11.863,994 4.337,995 2.392,997 105.057,998 6.8,999 10.505,1003 0.915,1004 1.151,1006 295.262,1007 25.5,1011 -3.472,1013 22.896,1020 28.116,1021 30.787,1022 0.42,1023 0.739,1024 0.848,1025 0.91,1026 0.91,1027 0.91,1028 4.508,1029 0.426,1030 5.38,1031 2.01,1032 3.97,1033 4.63,1034 2.99,1035 6.267,1036 3.803,1037 5.787,1038 -0.607,1039 7,1040 0.621,1041 3.892,1042 4.844,1044 7.6,1045 3.519,1046 7.169,1047 -0.808,1048 8.742,1049 -1.361,1050 5.707,1051 7.028,1052 5.034,1053 10.609,1054 5.313,1055 8.598,1056 -1,1057 10.556,1058 -2.054,1059 6.415,1060 8.037,1062 12.705,1063 5.786,1064 10.061,1065 -1,1066 12.416,1067 -3,1068 7.803,1069 9.776,1070 7.185,1071 15.358,1072 7.13,1073 11.549,1074 -1.159,1075 14.306,1076 -3,1077 8.813,1078 11.095,1080 17.716,1081 7.92,1082 13.055,1083 -1.544,1084 16.218,1085 -3,1086 10.07,1087 12.694,1088 9.348,1089 20.273,1090 9.094,1091 3.407,1092 -1.649,1093 18.144,1094 -4.149,1095 11.2,1096 14.141,1098 22.728,1099 10.028,1100 2.792,1101 12.434,1102 20.083,1103 -4.911,1104 12.421,1105 15.697,1106 11.511,1107 25.257,1108 11.135,1109 2.349,1110 9.047,1111 22.03,1112 4.729,1113 13.6,1114 17.199,1116 27.75,1117 12.138,1118 1.757,1119 6.831,1120 23.985,1121 3.858,1122 14.814,1123 18.744,1124 13.675,1125 30.271,1126 13.22,1127 1.236,1128 4.902,1129 25.945,1130 3.276,1131 16.015,1132 20.271,1134 32.78,1135 14.256,1136 0.872,1137 2.733,1138 27.91,1139 2.451,1140 17.229,1141 21.815,1142 15.838,1143 35.299,1144 15.329,1145 0.783,1146 2.242,1147 29.878,1148 1.787,1149 18.441,1150 23.353,1152 37.814,1153 16.383,1154 2099,1155 4371,1156 11.326,1157 18.318,1158 27.242,1159 28.931,1160 28.051,1161 27.336,1162 27.246,1163 38.053,1164 7.62,1165 81.639,1166 25.11,1167 5.556,1168 7.191,1169 6.875,1170 5.329,1171 5.407,1172 7.729,1173 5.9,1174 20.174,1175 4.954,1176 9.39,1177 1.513,1178 1.607,1179 1.558,1180 1.519,1181 1.514,1182 2.114,1183 0.423,1184 4.536,1185 1.395,1186 4.097,1187 4.108,1188 4.74,1189 4.03,1190 7.716,1191 3.944,1192 3.854,1193 3.847,1194 3.89,1195 3.799,1196 6.999,1197 3.752,1198 3.471,1199 3.524,1200 3.518,1201 3.142,1202 5.205,1203 3.187,1204 3.229,1205 3.3,1206 3.049,1207 2.95,1208 4.836,1209 2.959,1210 2.803,1211 2.875,1212 2.678,1213 2.655,1214 4.359,1215 2.646,1216 2.723,1217 2.796,1218 2.54,1219 2.567,1220 3.736,1221 2.555,1222 2.66,1223 2.738,1224 2.388,1225 2.341,1226 3.67,1227 2.31,1228 1.955,1229 2.091,1230 1.883,1231 1.493,1232 3.494,1233 1.577,1234 0.27,1235 0.288,1236 0.405,1237 0.237,1238 0.189,1239 4.863,1240 0.263,1241 5.191,1242 0.164,1243 7.285,1244 0.691,1245 4.271,1246 0.164,1247 3.407,1248 4.729,1249 2.95,1250 12.434,1251 2.954,1252 1.91,1253 1.9,1254 1.99,1255 2.028,1256 1.118,1257 2.035,1258 1.735,1259 1.77,1260 1.626,1261 1.837,1262 0.992,1263 1.9,1264 1.21,1265 1.141,1266 1.57,1267 1.539,1268 0.575,1269 1.541,1270 1.072,1271 0.992,1272 1.254,1273 1.402,1274 0.348,1275 1.351,1276 0.865,1277 0.754,1278 1.074,1279 1.272,1280 0.152,1281 1.22,1282 0.792,1283 0.719,1284 0.943,1285 0.985,1286 0.047,1287 1.022,1288 0.604,1289 0.521,1290 0.772,1291 0.887,1293 0.907,1294 0.332,1295 0.297,1296 0.341,1297 0.705,1299 0.691,1300 3.611,1302 4.949,1303 2.398,1304 6.475,1305 4.595,1306 8.087,1307 6.629,1308 9.745,1310 2.575,1318 5.047,1326 17.998,1327 53.878,1328 94.872,1329 108.872,1330 116.872,1331 116.872,1332 116.872,1333 29.654,1334 5.961,1335 86.97,1336 95.35,1337 11,1338 12.049,1339 3.807,1340 3.087,1341 28.228,1342 41,1343 43,1344 0.355,1345 117.975,1346 193.42,1347 279.618,1348 2267,1350 12.466,1351 0.733,1352 0.591,1353 12.716,1354 10.048,1355 8.02,1356 0.446,1357 0.363,1358 4.686,1359 6.739,1360 4.359,1361 3.674,1362 8.915,1363 6.542,1364 7.768,1365 0.299,1366 0.202,1367 9.137,1368 5.256,1369 5.688,1370 0.178,1371 0.093,1372 6.423,1373 2.988,1374 4.72,1375 0.115,1376 0.048,1377 5.419,1378 1.955,1379 3.443,1380 0.077,1381 0.027,1382 4.028,1383 1.198,1384 0.523,1385 61.126,1386 0.297,1387 16.694,1388 1.071,1389 88,1390 362.647,1391 136.694,1392 361.888,1393 479.47,1394 330,1395 102,1396 332.431,1397 158.623,1398 363.009,1399 514.82,1400 333,1401 5.181}
{0 CHEMBL1368609,1 1.898,2 7.8,3 3.244,4 10.524,5 79.098,6 10.509,7 0.696,8 3.551,9 3.607,10 3.467,11 3.23,12 4.717,13 3.208,14 4.063,15 4.145,16 3.886,17 3.608,18 5.244,19 3.585,20 4.225,21 4.335,22 3.933,23 3.673,24 5.369,25 3.63,26 4.198,27 4.31,28 3.993,29 3.626,30 5.326,31 3.544,32 4.097,33 4.255,34 3.595,35 3.416,36 5.179,37 3.322,38 3.872,39 4.047,40 3.467,41 3.267,42 5.012,43 3.171,44 3.601,45 3.758,46 3.282,47 3.128,48 4.687,49 3.011,50 3.433,51 3.613,52 2.993,53 2.869,54 4.547,55 2.727,56 0.087,57 0.383,58 2.159,59 2.328,60 5.326,61 2.247,62 0.285,63 0.667,64 7.551,65 4.355,66 17.452,67 3.657,68 0.411,69 0.728,70 9.374,71 5.571,72 20.748,73 5.276,74 0.387,75 0.729,76 17.533,77 6.323,78 23.008,79 5.252,80 0.454,81 0.679,82 16.412,83 5.822,84 28.52,85 5.511,86 0.351,87 0.55,88 12.081,89 4.232,90 23.924,91 4.57,92 0.138,93 0.423,94 7.375,95 3.476,96 8.582,97 3.741,98 0.157,99 0.373,100 9.55,101 3.19,102 10.744,103 3.094,104 2,105 33,106 0.357,107 0.691,108 0.809,109 0.848,110 0.861,111 0.887,112 3.06,113 0.958,114 -3.5,115 -3.48,116 -3.32,120 48.3,126 1,128 1,143 4,144 2,145 2,148 1,149 1,152 1,162 1,174 4,176 1,177 7,185 5,188 1,189 8,197 2,201 6,209 2,213 2,214 2,222 3,226 2,227 1,235 4,240 2,247 4,252 4,260 3,264 2,271 1,274 428,275 13.93,276 13.93,277 13.93,278 13.93,279 13.93,280 12.002,281 12.71,282 8.154,283 14.584,284 11.37,285 11.37,286 11.37,287 11.37,288 11.37,289 8.506,290 16.125,291 3.853,292 12.512,293 2.96,294 1.182,295 0.552,296 0.345,297 0.276,298 0.138,299 3.763,304 1,306 1,307 1,308 352,309 1.871,312 33.306,313 125.947,316 64.465,317 70.226,320 1.14,321 18.204,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43.333,333 156,334 4.649,335 3.53,336 6.888,337 4.178,338 3.238,339 4.596,340 1.151,341 11.505,342 3.039,343 4.223,344 3.223,345 6.196,346 3.816,347 2.889,348 3.815,349 0.86,350 9.246,351 2.674,352 3.647,353 2.784,354 5.77,355 3.313,356 2.382,357 2.954,359 7.722,360 2.189,361 3.418,362 2.332,363 5.034,364 2.792,365 1.993,366 2.802,368 5.677,369 1.533,370 2.983,371 2.153,372 4.512,373 2.533,374 1.618,375 2.167,377 4.471,378 1.485,379 2.924,380 1.706,381 4.355,382 2.514,383 1.579,384 2.063,386 4.05,387 1.459,388 2.796,389 1.435,390 3.819,391 2.332,392 1.369,393 1.909,395 2.998,396 1.31,397 2.486,398 1.169,399 3.606,400 1.978,401 1.06,402 1.48,404 2.657,405 0.959,406 2.152,407 0.973,408 3.316,409 1.599,410 0.769,411 1.032,413 1.836,414 0.619,415 1.861,416 0.933,417 3.158,418 1.47,419 0.618,420 0.753,422 1.486,423 0.508,424 1.047,425 0.253,426 2.596,427 0.533,428 -0.289,429 -0.355,431 -0.678,432 -0.192,433 0.874,434 -0.039,435 2.366,436 0.431,437 -0.425,438 -0.534,440 -1.04,441 -0.367,442 0.689,443 -0.267,444 2.199,445 0.313,446 -0.618,447 -0.729,449 -1.597,450 -0.564,451 0.562,452 -0.71,453 2,454 0.03,455 -0.876,456 -1.191,458 -2.312,459 -0.77,460 0.232,461 -1.011,462 2,463 -0.143,464 -1.098,465 -1.472,467 -2.959,468 -0.942,469 10.014,470 0.501,471 0.432,472 0.022,473 28.75,474 1.438,475 15,476 0.75,477 13.75,478 0.688,479 14.007,480 0.7,481 19.986,482 0.689,483 16.684,484 0.834,485 5.462,486 0.273,487 4.364,488 0.218,489 0.071,491 0.35,496 0.803,497 1.091,498 0.548,499 0.8,500 0.731,501 0.729,502 1.134,503 0.931,504 0.761,505 0.904,506 0.942,507 0.802,508 1.215,509 0.993,510 0.72,511 0.794,512 0.949,513 0.862,514 1.3,515 1.187,516 1.095,517 1.228,518 1.202,519 1.128,520 0.972,521 0.93,522 1.168,523 1.171,524 1.061,525 1.163,526 0.661,527 0.711,528 0.986,529 0.825,530 0.871,531 0.922,532 0.65,533 1.107,534 0.908,535 0.963,536 0.674,537 0.962,538 0.91,539 1.178,540 1.476,541 1.192,542 1.023,543 1.123,544 3,546 2.444,547 1.25,548 1.259,549 0.379,550 0.303,551 0.227,552 0.062,553 0.038,554 3878,555 12843,556 2.226,557 31,559 7,560 1,561 1,567 1.619,568 2.143,569 2.979,570 -0.689,572 1,574 1,575 55.049,576 1.898,577 3.676,578 4.306,579 4.513,580 4.582,581 4.72,582 2.423,583 4.122,584 4.298,585 3.053,586 580.082,587 7.349,588 5687.76,589 1,590 1,591 1,592 1,593 140.881,594 1.188,595 4.278,596 0.13,598 0.074,599 0.038,600 0.045,601 0.018,602 0.016,603 0.014,604 0.006,605 0.008,606 0.349,607 0.5,608 1,609 0.432,610 86.649,611 -0.068,612 -0.151,613 0.025,614 -0.032,615 -0.079,616 -0.007,617 -0.111,618 0.057,619 -0.037,620 -0.03,621 -0.075,622 -0.016,623 -0.057,624 -0.096,625 0.059,626 0.093,627 0.022,628 0.035,629 -0.133,630 -0.244,631 0.012,632 -0.167,633 -0.126,634 -0.176,635 0.104,636 0.031,637 -0.117,638 -0.145,639 -0.004,640 -0.124,641 0.238,642 0.277,643 0.051,644 0.119,645 0.16,646 0.12,647 0.004,648 -0.154,649 0.085,650 0.061,651 0.092,652 0.087,653 -0.157,654 -0.133,655 -0.189,656 -0.073,657 -0.021,658 -0.025,659 1.526,660 2.507,661 0.95,662 11.94,663 1.027,664 1.101,665 2.27,666 5.154,667 0.775,668 3.178,669 3.526,670 3.871,671 4.19,672 4.419,673 4.477,674 4.625,675 4.796,676 4.852,677 4.804,678 4.646,679 0.745,680 304.77,681 3.178,682 4.727,683 5.609,684 6.509,685 7.405,686 8.31,687 9.212,688 10.119,689 11.023,690 11.931,691 6.9,701 2,708 2,709 6,710 2,713 1,714 4,716 16,735 2,737 1,738 29,739 16,740 1,741 23,743 32,744 14,745 12,746 2,747 4,752 4,753 6,754 1,763 1,766 1,768 12,769 2,786 1,789 9,790 4,792 6,793 2,797 2,803 0.5,804 2,817 1,822 1,823 3,826 1,827 1,855 2,857 1,860 1,862 20,869 1,872 2,874 1,880 1,885 1,886 6.9,891 2,893 9.333,894 5.376,895 4.306,896 1.672,898 3.227,899 1.446,900 1.043,901 3.005,902 10.454,903 3.466,904 4.123,905 4.784,906 5.411,907 5.898,908 6.146,909 6.527,910 6.964,911 7.145,912 7.427,913 1,914 33,915 7.36,917 3.224,918 7.689,919 14.028,921 11.836,924 2.189,925 43.778,926 0.001,929 105.94,930 109.677,931 33.571,932 39.149,933 22,935 31.278,936 78.399,937 167.088,938 33.571,940 4.592,941 45.554,942 45.659,943 46.864,944 53.992,945 113.675,947 105.94,948 111.97,949 22,950 70.426,952 105.94,953 22,956 13.528,957 64.871,958 33.571,959 70.426,960 105.94,961 55.571,962 148.826,965 105.94,966 55.504,967 54.173,969 94.719,970 105.94,971 55.571,972 148.826,973 0.586,974 0.358,975 0.206,976 0.11,977 19,978 7,979 0.031,980 1,981 2,982 1.211,983 3.284,984 163.035,985 0.211,986 19,987 86.439,989 1,993 12.359,994 4.863,995 2.07,996 1.717,997 55.571,998 11.118,999 8.272,1002 1.532,1003 2.945,1006 310.336,1007 31,1020 29.793,1021 31.94,1022 0.391,1023 0.757,1024 0.886,1025 0.929,1026 0.943,1027 0.972,1028 4.7,1029 1.06,1030 5.595,1031 2.998,1032 4.205,1033 4.808,1034 1.635,1035 6.447,1036 4.021,1037 5.916,1038 0.769,1039 7.172,1040 2.657,1041 3.761,1042 4.62,1044 7.427,1045 3.507,1046 7.236,1047 0.618,1048 8.855,1049 1.836,1050 5.826,1051 7.087,1052 1.723,1053 10.576,1054 5.506,1055 8.596,1056 -0.289,1057 10.601,1058 1.486,1059 6.256,1060 7.807,1062 12.429,1063 5.874,1064 9.994,1065 -0.425,1066 12.389,1067 -0.678,1068 7.763,1069 9.707,1070 1.865,1071 15.086,1072 7.325,1073 11.419,1074 -0.618,1075 14.206,1076 -1.04,1077 8.595,1078 10.854,1080 17.281,1081 8.096,1082 12.865,1083 -0.876,1084 16.044,1085 -1.597,1086 9.882,1087 12.524,1088 2.048,1089 19.781,1090 9.327,1091 3.238,1092 -1.098,1093 17.897,1094 -2.312,1095 10.895,1096 13.871,1098 22.116,1099 10.277,1100 2.889,1101 11.505,1102 19.762,1103 -2.959,1104 12.096,1105 15.446,1106 2.261,1107 24.567,1108 11.421,1109 2.382,1110 9.246,1111 21.636,1112 4.596,1113 13.19,1114 16.886,1116 26.96,1117 12.451,1118 1.993,1119 7.722,1120 23.518,1121 3.815,1122 14.361,1123 18.424,1124 2.495,1125 29.397,1126 13.563,1127 1.618,1128 5.677,1129 25.407,1130 2.954,1131 15.491,1132 19.906,1134 31.815,1135 14.629,1136 1.579,1137 4.471,1138 27.3,1139 2.802,1140 16.652,1141 21.431,1142 2.743,1143 34.251,1144 15.731,1145 1.369,1146 4.05,1147 29.198,1148 2.167,1149 17.799,1150 22.934,1152 36.68,1153 16.815,1154 3605,1155 6692,1156 16.008,1157 22.472,1158 35.321,1159 35.552,1160 35.914,1161 35.139,1162 35.032,1163 47.142,1164 4.022,1165 103.295,1166 31.552,1167 5.593,1168 5.53,1169 6.575,1170 5.323,1171 5.238,1172 7.596,1173 2.302,1174 18.72,1175 5.039,1176 5.223,1177 1.536,1178 1.546,1179 1.561,1180 1.528,1181 1.523,1182 2.05,1183 0.175,1184 4.491,1185 1.372,1186 4.073,1187 4.082,1188 4.345,1189 4.056,1190 5.145,1191 4.013,1192 3.899,1193 3.914,1194 3.872,1195 3.815,1196 4.946,1197 3.816,1198 3.459,1199 3.504,1200 3.721,1201 3.278,1202 4.526,1203 3.293,1204 3.181,1205 3.215,1206 3.34,1207 3.092,1208 4.389,1209 3.033,1210 2.904,1211 2.943,1212 3.086,1213 2.754,1214 4.254,1215 2.747,1216 2.803,1217 2.822,1218 2.811,1219 2.703,1220 4.134,1221 2.685,1222 2.693,1223 2.747,1224 2.677,1225 2.574,1226 3.579,1227 2.562,1228 2.436,1229 2.487,1230 2.45,1231 2.213,1232 3.465,1233 2.205,1234 0.202,1235 0.153,1236 0.299,1237 0.182,1238 0.141,1239 4.649,1240 0.2,1241 3.53,1242 0.05,1243 6.888,1244 0.5,1245 4.178,1246 0.132,1247 3.238,1248 4.596,1249 1.151,1250 11.505,1251 3.039,1252 1.9,1253 1.886,1254 1.999,1255 2.031,1256 1.166,1257 2.018,1258 1.791,1259 1.769,1260 1.827,1261 1.904,1262 1.005,1263 1.891,1264 1.519,1265 1.502,1266 1.606,1267 1.654,1268 0.786,1269 1.671,1270 1.152,1271 1.132,1272 1.265,1273 1.287,1274 0.501,1275 1.33,1276 0.879,1277 0.833,1278 1.137,1279 1.072,1280 0.189,1281 1.095,1282 0.799,1283 0.759,1284 0.937,1285 0.914,1286 0.059,1287 0.966,1288 0.694,1289 0.641,1290 0.886,1291 0.876,1292 0.031,1293 0.901,1294 0.476,1295 0.445,1296 0.676,1297 0.693,1299 0.693,1300 3.85,1302 5.187,1303 2.398,1304 6.739,1305 4.727,1306 8.388,1307 6.862,1308 10.084,1311 6.182,1315 0.452,1318 11.751,1320 -0.192,1326 21.594,1327 55.049,1328 106.617,1329 124.881,1330 130.881,1331 132.881,1332 136.881,1333 23.032,1334 7.227,1335 44.24,1336 72.48,1337 23,1338 12.448,1339 4.087,1340 3.17,1341 26.119,1342 56,1343 50,1344 0.237,1345 136.043,1346 223.44,1347 323.704,1348 12642,1349 3.4,1350 13.527,1351 0.676,1352 0.591,1353 14.38,1354 11.818,1355 9.826,1356 0.427,1357 0.319,1358 6.099,1359 8.72,1360 5.896,1361 4.805,1362 10.569,1363 7.346,1364 8.865,1365 0.269,1366 0.17,1367 9.786,1368 5.616,1369 7.987,1370 0.17,1371 0.094,1372 8.997,1373 4.399,1374 7.107,1375 0.109,1376 0.054,1377 8.365,1378 3.516,1379 5.813,1380 0.071,1381 0.029,1382 6.888,1383 2.36,1384 0.357,1385 69.309,1386 0.25,1387 19.482,1388 0.694,1389 112,1390 361.825,1391 162.255,1392 392.814,1393 534.26,1394 370,1395 136,1396 361.011,1397 180.109,1398 385.651,1399 575.54,1400 363,1401 4.669}
{0 CHEMBL1369984,1 1.543,2 9.409,3 3.537,4 12.51,5 90.293,6 8.953,7 0.88,8 3.661,9 3.763,10 3.457,11 3.363,12 4.846,13 3.318,14 4.098,15 4.218,16 3.841,17 3.722,18 5.227,19 3.663,20 4.277,21 4.457,22 3.757,23 3.78,24 5.302,25 3.681,26 4.267,27 4.457,28 3.714,29 3.719,30 5.289,31 3.593,32 4.191,33 4.399,34 3.645,35 3.582,36 5.233,37 3.459,38 3.991,39 4.206,40 3.442,41 3.375,42 5.042,43 3.264,44 3.755,45 3.95,46 3.168,47 3.213,48 4.799,49 3.117,50 3.633,51 3.809,52 2.953,53 3.149,54 4.649,55 3.063,56 0.036,57 0.505,58 4.967,59 2.65,60 6.293,61 3.049,62 0.082,63 0.812,64 9.535,65 4.228,66 8.347,67 4.896,68 0.093,69 0.938,70 13.837,71 6.076,72 13.007,73 7.22,74 0.082,75 0.953,76 15.737,77 6.432,78 14.511,79 7.186,80 0.158,81 0.941,82 17.359,83 6.108,84 18.731,85 6.416,86 0.138,87 0.771,88 13.591,89 4.815,90 16.265,91 5.036,92 0.122,93 0.593,94 11.175,95 3.863,96 11.81,97 3.967,98 0.059,99 0.469,100 6.85,101 2.949,102 7.61,103 3.53,105 34,106 0.276,107 0.529,108 0.679,109 0.798,110 0.848,111 0.869,112 3.147,113 0.924,114 -4.58,115 -4.5,116 -4.24,120 50,143 9,144 3,145 1,146 2,162 1,163 1,167 1,174 11,177 5,180 1,182 3,185 13,189 4,192 1,194 3,197 11,201 4,206 4,209 7,213 1,214 6,219 3,222 5,226 1,227 6,235 5,240 4,243 1,247 8,252 1,260 9,264 2,271 7,274 586,275 15.499,276 15.499,277 15.499,278 15.499,279 15.499,280 12.931,281 9.487,282 9.404,283 15.891,284 12.403,285 12.403,286 12.403,287 12.403,288 12.403,289 8.677,290 17.5,291 4.5,292 13.072,293 3.544,294 2.135,295 1.295,296 0.633,297 0.353,298 0.235,299 3.853,305 1,306 1,307 1,308 464,309 2,312 52.369,313 171.609,317 89.637,320 1.463,321 9.652,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46,333 207,334 4.503,335 3.119,336 6.515,337 4.034,338 3.055,339 4.434,340 0.4,341 10.245,342 3.008,343 4.286,344 2.91,345 6.18,346 3.826,347 2.9,348 3.952,350 9.218,351 2.692,352 3.772,353 2.487,354 5.433,355 3.313,356 2.391,357 3.276,359 7.125,360 2.191,361 3.459,362 2.055,363 5.047,364 2.971,365 2.011,366 2.873,368 5.854,369 1.907,370 3.118,371 1.689,372 4.336,373 2.618,374 1.66,375 2.427,377 4.159,378 1.618,379 3.091,380 1.618,381 4.121,382 2.578,383 1.618,384 2.329,386 3.739,387 1.514,388 2.768,389 1.275,390 3.593,391 2.27,392 1.272,393 1.901,395 2.834,396 1.269,397 2.564,398 1.141,399 3.491,400 2.046,401 1.107,402 1.593,404 2.625,405 1.035,406 2.5,407 1,408 3.318,409 1.984,410 1,411 1.5,413 2.136,414 0.983,415 2.325,416 0.894,417 3.261,418 1.832,419 0.861,420 1.246,422 2.047,423 0.831,424 2.167,425 0.676,426 3.247,427 1.552,428 0.673,429 1.004,431 1.647,432 0.576,433 1.312,434 0.082,435 2.79,436 0.903,437 -0.032,438 -0.042,440 -0.085,441 -0.03,442 0.882,443 -0.556,444 2.339,445 0.382,446 -0.608,447 -0.82,449 -1.472,450 -0.573,451 0.791,452 -0.618,453 2.235,454 0.339,455 -0.618,456 -0.927,458 -1.478,459 -0.618,460 0.686,461 -0.723,462 2,463 0.223,464 -0.744,465 -1.04,467 -1.837,468 -0.719,469 10.933,470 0.497,471 0.359,472 0.016,473 34.5,474 1.568,475 20.5,476 0.932,477 14,478 0.636,479 12.938,480 0.588,481 20.867,482 0.614,483 20.789,484 0.945,485 6.788,486 0.309,487 4.111,488 0.187,491 0.274,496 0.749,497 0.919,498 0.669,499 0.745,500 0.74,501 0.729,502 0.718,503 1.155,504 0.808,505 1.045,506 0.874,507 0.941,508 0.855,509 0.982,510 0.921,511 0.96,512 0.827,513 0.98,514 1.108,515 1.187,516 1.187,517 1.164,518 0.967,519 1.102,520 1.351,521 1.127,522 1.348,523 1.178,524 1.144,525 0.997,526 1.511,527 1.019,528 1.246,529 0.996,530 1.199,531 0.887,532 1.414,533 0.816,534 1.416,535 1.048,536 1.167,537 0.881,538 1.053,539 0.777,540 0.974,541 0.897,542 1.146,543 1.016,544 3,545 0.029,546 2,547 1.097,548 0.757,549 0.407,550 0.212,551 0.196,552 0.095,553 0.046,554 5552,555 14871,556 2.234,557 35.3,559 9,561 2,562 1,567 1.642,568 2.2,569 3.225,570 -0.31,572 1,574 1,575 52.467,576 1.543,577 2.953,578 3.792,579 4.455,580 4.735,581 4.852,582 2.665,583 4.005,584 4.434,585 3.352,586 774.417,587 7.6,588 8497.19,589 1,590 1,591 1,592 1,593 172.974,594 0.845,595 4.433,596 0.12,597 0.003,598 0.059,599 0.034,600 0.027,601 0.016,602 0.01,603 0.011,604 0.006,605 0.003,606 0.289,607 0.33,608 1,610 101.289,611 0.098,612 0.064,613 0.06,614 0.065,615 0.014,616 0.042,617 0.17,618 -0.171,619 0.055,620 -0.156,621 -0.076,622 -0.119,623 0.025,624 -0.033,625 -0.001,626 -0.015,627 0.013,628 -0.034,629 -0.104,630 -0.195,631 -0.071,632 -0.109,633 -0.026,634 -0.125,635 -0.072,636 -0.045,637 -0.056,638 -0.038,639 -0.001,640 -0.005,641 -0.137,642 0.086,643 -0.02,644 0.095,645 0.016,646 0.088,647 -0.203,648 0.258,649 -0.235,650 0.031,651 -0.067,652 0.076,653 -0.272,654 0.138,655 -0.244,656 -0.059,657 -0.254,658 -0.095,659 0.886,660 1.241,661 0.955,662 16.331,663 1.001,664 1.105,665 3.348,666 11.208,667 0.756,668 3.258,669 3.555,670 3.85,671 4.127,672 4.317,673 4.317,674 4.443,675 4.554,676 4.654,677 4.625,678 5.601,679 0.717,680 304.4,681 3.258,682 4.779,683 5.631,684 6.5,685 7.366,686 8.24,687 9.11,688 9.986,689 10.859,690 11.736,691 11.8,699 1,701 3,708 2,709 11,710 3,713 1,714 4,716 22,729 1,738 34,739 22,740 2,741 25,743 37,744 17,745 17,746 3,747 7,752 4,753 5,768 17,785 1,786 1,789 12,790 4,791 1,792 5,793 1,797 4,803 0.75,816 1,822 1,823 3,827 1,855 3,857 1,862 22,871 1,893 10,894 6.183,895 4.833,896 1.947,898 4.262,899 1.59,900 1.061,901 3.433,902 11.49,903 3.611,904 4.252,905 4.899,906 5.527,907 6.044,908 6.29,909 6.726,910 7.14,911 7.55,912 7.693,913 1,914 32,915 8.05,917 3.403,918 7.561,919 15.529,921 12.755,924 2.061,925 45.333,929 129.482,930 147.177,931 68.122,935 31.278,936 115.9,937 129.482,938 68.122,941 85.286,942 74.583,943 47.695,945 137.218,947 129.482,948 184.022,950 31.278,952 129.482,956 37.536,957 96.374,958 50.112,959 31.278,960 129.482,961 68.122,962 147.177,965 129.482,966 43.796,967 103.381,968 18.011,969 50.112,970 129.482,971 68.122,972 147.177,973 0.57,974 0.338,975 0.194,976 0.102,977 18,978 6,979 0.081,980 3,981 1,982 1.095,983 3.6,984 175.803,985 0.095,986 21,987 89.353,989 1,993 13.201,994 5.722,995 2.677,996 2.372,997 68.122,998 21.849,999 12.493,1002 1.528,1003 3.724,1005 18.011,1006 344.782,1007 36,1020 34.018,1021 37.574,1022 0.303,1023 0.58,1024 0.745,1025 0.876,1026 0.931,1027 0.954,1028 4.8,1029 1.107,1030 5.58,1031 2.834,1032 4.234,1033 4.938,1034 0.278,1035 6.361,1036 4.137,1037 6.005,1038 1,1039 7.107,1040 2.625,1041 3.611,1042 4.559,1044 7.182,1045 3.453,1046 7.299,1047 0.861,1048 8.74,1049 2.136,1050 5.784,1051 7.19,1052 0.05,1053 10.305,1054 5.602,1055 8.635,1056 0.673,1057 10.437,1058 2.047,1059 6.066,1060 7.74,1062 12.013,1063 5.826,1064 10.006,1065 -0.032,1066 12.179,1067 1.647,1068 7.628,1069 9.733,1070 0.008,1071 14.605,1072 7.375,1073 11.404,1074 -0.608,1075 13.949,1076 -0.085,1077 8.34,1078 10.742,1080 16.659,1081 8.043,1082 12.821,1083 -0.618,1084 15.741,1085 -1.472,1086 9.638,1087 12.45,1088 0.001,1089 19.069,1090 9.328,1091 3.055,1092 -0.744,1093 17.548,1094 -1.478,1095 10.555,1096 13.692,1098 21.266,1099 10.213,1100 2.9,1101 10.245,1102 19.365,1103 -1.837,1104 11.738,1105 15.269,1107 23.611,1108 11.381,1109 2.391,1110 9.218,1111 21.191,1112 4.434,1113 12.752,1114 16.628,1116 25.869,1117 12.371,1118 2.011,1119 7.125,1120 23.023,1121 3.952,1122 13.886,1123 18.146,1125 28.19,1126 13.489,1127 1.66,1128 5.854,1129 24.86,1130 3.276,1131 14.946,1132 19.564,1134 30.476,1135 14.529,1136 1.618,1137 4.159,1138 26.702,1139 2.873,1140 16.059,1141 21.057,1143 32.79,1144 15.628,1145 1.272,1146 3.739,1147 28.547,1148 2.427,1149 17.14,1150 22.505,1152 35.09,1153 16.693,1154 5125,1155 8535,1156 17.682,1157 25.716,1158 37.428,1159 37.126,1160 37.385,1161 37.105,1162 37.093,1163 53.068,1164 0.8,1165 103.258,1166 35.246,1167 5.277,1168 5.119,1169 6.317,1170 5.163,1171 5.055,1172 7.434,1173 0.8,1174 17.088,1175 5.008,1177 1.497,1178 1.485,1179 1.495,1180 1.484,1181 1.484,1182 2.123,1183 0.032,1184 4.13,1185 1.41,1186 4.091,1187 4.115,1188 4.245,1189 4.047,1190 5.067,1191 4.042,1192 3.92,1193 3.951,1194 4.015,1195 3.867,1196 4.893,1197 3.837,1198 3.626,1199 3.674,1200 3.708,1201 3.527,1202 4.828,1203 3.489,1204 3.449,1205 3.493,1206 3.364,1207 3.373,1208 4.347,1209 3.354,1210 3.086,1211 3.143,1212 3.007,1213 2.976,1214 3.992,1215 2.97,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.759,1221 2.715,1222 2.765,1223 2.842,1224 2.672,1225 2.585,1226 3.674,1227 2.591,1228 2.663,1229 2.721,1230 2.54,1231 2.557,1232 3.581,1233 2.554,1234 0.18,1235 0.125,1236 0.261,1237 0.161,1238 0.122,1239 4.503,1240 0.177,1241 3.119,1242 0.016,1243 6.515,1244 0.41,1245 4.034,1246 0.12,1247 3.055,1248 4.434,1249 0.4,1250 10.245,1251 3.008,1252 2.07,1253 2.051,1254 2.151,1255 2.129,1256 1.286,1257 2.138,1258 1.839,1259 1.81,1260 1.93,1261 1.952,1262 0.994,1263 1.953,1264 1.498,1265 1.457,1266 1.668,1267 1.633,1268 0.706,1269 1.646,1270 1.268,1271 1.247,1272 1.341,1273 1.462,1274 0.462,1275 1.446,1276 1.074,1277 1.034,1278 1.181,1279 1.271,1280 0.294,1281 1.253,1282 0.968,1283 0.91,1284 1.119,1285 1.097,1286 0.218,1287 1.14,1288 0.886,1289 0.821,1290 1.045,1291 1.062,1292 0.066,1293 1.107,1294 0.689,1295 0.638,1296 0.948,1297 0.839,1298 0.039,1299 0.879,1300 3.932,1302 5.231,1303 2.398,1304 6.737,1305 4.595,1306 8.334,1307 6.581,1308 9.977,1317 3.366,1326 24.38,1327 52.467,1328 100.391,1329 128.935,1330 151.464,1331 160.974,1332 164.974,1333 21.197,1334 7.228,1335 50.7,1336 78.94,1337 23,1338 12.275,1339 4.524,1340 3.585,1341 29.998,1342 75,1343 68,1344 0.199,1345 153.301,1346 245.73,1347 365.814,1348 13732,1350 14.778,1351 0.672,1352 0.564,1353 15.131,1354 12.417,1355 10.899,1356 0.436,1357 0.308,1358 6.897,1359 10.206,1360 6.686,1361 5.56,1362 11.307,1363 7.704,1364 9.472,1365 0.279,1366 0.17,1367 10.141,1368 5.777,1369 8.258,1370 0.18,1371 0.093,1372 9.03,1373 4.271,1374 7.154,1375 0.117,1376 0.051,1377 7.973,1378 3.096,1379 5.725,1380 0.077,1381 0.027,1382 6.391,1383 2.032,1384 0.31,1385 71.293,1386 0.238,1387 21.751,1388 0.547,1389 118,1390 318.129,1391 152.23,1392 341.435,1393 482.68,1394 322,1395 139,1396 355.571,1397 168.708,1398 379.441,1399 553.06,1400 358,1401 4.376}
{0 CHEMBL1370276,1 1.803,2 7.176,3 1.875,4 3.516,5 57.589,6 9.369,7 0.667,8 3.352,9 3.449,10 3.084,11 2.917,12 4.735,13 2.949,14 3.781,15 3.901,16 3.415,17 3.217,18 5.248,19 3.247,20 4.017,21 4.186,22 3.478,23 3.221,24 5.499,25 3.272,26 3.965,27 4.136,28 3.477,29 2.998,30 5.986,31 3.073,32 3.74,33 3.924,34 3.015,35 2.856,36 5.251,37 2.896,38 3.515,39 3.658,40 3.008,41 2.813,42 5.103,43 2.843,44 3.519,45 3.699,46 2.85,47 2.715,48 5.052,49 2.726,50 3.368,51 3.621,52 2.36,53 2.33,54 4.86,55 2.263,56 0.132,57 0.505,58 2.686,59 2.102,60 18.034,61 1.99,62 0.253,63 0.767,64 4.775,65 3.249,66 31.146,67 3.149,68 0.457,69 0.935,70 9.141,71 4.18,72 73.615,73 3.942,74 0.846,75 0.933,76 10.017,77 3.813,78 135,79 3.727,80 0.489,81 0.583,82 8.859,83 3.147,84 85.039,85 2.652,86 0.286,87 0.558,88 5.207,89 2.643,90 43.781,91 2.465,92 0.329,93 0.625,94 5.872,95 2.879,96 50.489,97 2.613,98 0.372,99 0.439,100 6.893,101 2.303,102 51.641,103 2.658,104 10,105 24,106 0.357,107 0.625,108 0.733,109 0.794,110 0.794,111 0.794,112 2.908,113 0.806,114 -3.65,115 -3.62,116 -3.45,120 48,143 5,144 1,145 3,146 2,159 1,174 2,177 3,180 1,182 3,185 4,197 1,201 4,204 1,206 2,209 2,214 1,219 1,226 1,227 1,235 4,247 2,252 2,264 1,274 308,275 11.328,276 11.328,277 11.328,278 11.328,279 11.328,280 9.629,281 10.775,282 6.836,283 11.536,284 8.868,285 8.868,286 8.868,287 8.868,288 8.868,289 6.44,290 13.651,291 3.229,292 9.223,293 2.841,294 1.49,295 0.944,296 0.64,297 0.64,298 0.64,299 3.558,306 1,307 1,308 253,309 2.449,313 112.952,320 1.01,321 31.972,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 39,333 122,334 4.448,335 3.677,336 6.679,337 4.067,338 3.092,339 4.102,340 1.058,341 10.6,342 3.005,343 3.908,344 3.027,345 5.427,346 3.49,347 2.525,348 3.454,350 7.177,351 2.432,352 3.377,353 2.592,354 4.841,355 2.93,356 1.934,357 2.631,359 5.104,360 1.908,361 3.232,362 2.523,363 4.772,364 2.787,365 1.879,366 2.481,368 5.017,369 1.678,370 2.88,371 1.519,372 3.765,373 2.372,374 1.433,375 2.042,377 3.105,378 1.342,379 2.639,380 1.356,381 3.521,382 2.124,383 1.135,384 1.648,386 2.587,387 1.111,388 2.5,389 1,390 3.247,391 1.984,392 1,393 1.5,395 2.136,396 0.983,397 1.209,398 0.874,399 2.758,400 0.902,406 1.149,407 0.4,408 2.352,409 0.659,410 -0.337,411 -0.445,413 -0.757,414 -0.303,415 1,416 0.159,417 2.164,418 0.557,419 -0.347,420 -0.463,422 -0.771,423 -0.324,424 0.5,425 -0.586,426 1.614,427 0.005,428 -1,429 -1.42,431 -2.258,432 -0.946,433 0.471,434 -0.925,435 1.555,436 -0.049,437 -1,438 -1.5,440 -2.347,441 -1.001,442 0.045,443 -1,444 1.353,445 -0.362,446 -1.241,447 -1.613,449 -3.1,450 -1.107,451 -0.232,452 -1.24,453 1.23,454 -0.604,455 -1.532,456 -2.036,458 -3.788,459 -1.375,460 -0.3,461 -1.39,462 1.183,463 -0.644,464 -1.613,465 -2.156,467 -4.722,468 -1.628,469 7.705,470 0.453,471 0.404,472 0.024,473 24.75,474 1.456,475 14,476 0.824,477 10.75,478 0.632,479 8.666,480 0.51,481 18.095,482 0.724,483 16.713,484 0.983,485 5.319,486 0.313,487 2.863,488 0.168,489 0.117,491 0.324,494 2,496 0.581,497 0.91,498 0.578,499 0.927,500 0.542,501 0.813,502 0.671,503 1.05,504 0.743,505 1.113,506 0.647,507 1.027,508 1.134,509 1.195,510 0.976,511 1.104,512 1.111,513 1,514 0.857,515 0.895,516 0.885,517 1.005,518 0.896,519 0.983,520 1.529,521 0.835,522 1.311,523 0.719,524 1.598,525 0.811,526 1.019,527 1.03,528 0.933,529 0.984,530 1.069,531 0.963,532 1.432,533 1.462,534 1.342,535 1.265,536 1.365,537 1.262,538 1.103,539 0.903,540 1.414,541 1.04,542 1.157,543 1.277,544 3,546 1.778,547 1.625,548 0.724,549 0.493,550 0.205,551 0.094,552 0.073,554 2210,555 8943,556 1.994,557 32,559 5,561 2,562 1,567 1.571,568 1.855,569 2.839,570 -0.198,574 1,575 45.077,576 1.803,577 3.153,578 3.699,579 4.004,580 4.004,581 4.004,582 2.19,583 3.337,584 4.064,585 2.947,586 400.783,587 6.875,588 3630.18,590 1,593 116.096,594 1.447,595 4.01,596 0.167,598 0.074,599 0.068,600 0.034,601 0.033,602 0.014,603 0.008,604 0.012,606 0.409,607 1,608 1,609 0.682,610 69.906,611 -0.049,612 -0.064,613 0.001,614 -0.008,615 -0.052,616 0.019,617 -0.015,618 -0.176,619 -0.058,620 -0.198,621 -0.021,622 -0.174,623 -0.184,624 -0.232,625 -0.048,626 -0.161,627 -0.161,628 -0.07,629 0.444,630 0.223,631 0.185,632 -0.048,633 0.441,634 -0.076,635 -0.385,636 0.083,637 -0.259,638 0.245,639 -0.36,640 0.151,641 -0.097,642 -0.143,643 -0.051,644 -0.016,645 -0.09,646 -0.028,647 -0.257,648 -0.206,649 -0.338,650 -0.228,651 -0.228,652 -0.29,653 0.029,654 0.192,655 -0.189,656 -0.035,657 -0.097,658 -0.176,659 2.559,660 5.29,661 0.706,662 9.391,663 1.044,664 1.142,665 2.42,666 5.858,667 0.695,668 2.944,669 3.219,670 3.434,671 3.638,672 3.664,673 3.526,674 3.434,675 3.434,676 3.296,677 3.219,678 4.401,679 0.705,680 234.22,681 2.944,682 4.443,683 5.263,684 6.116,685 6.948,686 7.808,687 8.645,688 9.509,689 10.347,690 11.213,691 8,698 1,701 1,709 7,710 1,714 4,716 12,723 1,737 2,738 25,739 13,740 1,741 18,743 26,744 12,745 11,746 3,747 3,748 1,752 2,753 2,768 12,772 1,778 1,782 1,786 1,787 2,789 8,790 5,791 1,792 5,797 2,803 1,804 1,816 1,823 2,855 2,861 2,862 17,871 1,885 2,886 4,889 1,893 9.167,894 4.486,895 3.833,896 1.337,898 2.196,899 1.375,900 0.981,901 3.219,902 8.049,903 3.258,904 3.829,905 4.35,906 4.868,907 5.245,908 5.138,909 5.256,910 5.518,911 5.614,912 5.901,913 0.8,914 24,915 6.326,917 2.779,918 8.49,919 11.118,921 8.628,924 2.99,925 50.833,929 82.398,930 94.365,931 34.796,933 25.145,934 29.92,936 94.365,937 107.543,938 64.717,940 18.011,941 47.381,942 70.177,943 42.279,944 29.92,945 58.856,947 82.398,948 129.161,949 55.065,952 112.318,953 25.145,956 36.106,957 76.27,958 16.786,960 112.318,961 59.941,962 94.365,965 82.398,966 28.889,967 65.476,968 18.011,969 71.851,970 82.398,971 89.861,972 94.365,973 0.573,974 0.335,975 0.183,976 0.082,977 11,978 5,979 0.077,980 2,982 1,983 2.913,984 112.693,986 12,987 59.487,993 11.371,994 4.812,995 2.522,997 89.861,998 9.247,999 3.761,1003 -1.954,1005 18.011,1006 266.624,1007 25,1013 11.644,1017 -0.827,1020 26.091,1021 28.546,1022 0.388,1023 0.679,1024 0.797,1025 0.862,1026 0.862,1027 0.862,1028 4.443,1030 5.231,1031 2.136,1032 3.892,1033 4.511,1034 1.176,1035 6.004,1036 3.816,1037 5.644,1038 -0.337,1039 6.77,1041 3.434,1042 4.205,1044 6.887,1045 3.306,1046 6.934,1047 -0.347,1048 8.417,1049 -0.757,1050 5.434,1051 6.664,1052 1.255,1053 9.995,1054 5.298,1055 8.262,1056 -1,1057 10.131,1058 -0.771,1059 5.802,1060 7.157,1062 11.767,1063 5.623,1064 9.622,1065 -1,1066 11.889,1067 -2.258,1068 7.286,1069 9.096,1070 1.338,1071 14.393,1072 7.097,1073 11.006,1074 -1.241,1075 13.68,1076 -2.347,1077 8.055,1078 9.999,1080 16.522,1081 7.83,1082 12.409,1083 -1.532,1084 15.495,1085 -3.1,1086 9.322,1087 11.688,1088 1.422,1089 18.98,1090 9.081,1091 3.092,1092 -1.613,1093 17.329,1094 -3.788,1095 10.283,1096 12.813,1098 21.25,1099 10.008,1100 2.525,1101 10.6,1102 19.177,1103 -4.722,1104 11.46,1105 14.371,1106 1.51,1107 23.647,1108 11.164,1109 1.934,1110 7.177,1111 21.036,1112 4.102,1113 12.509,1114 15.619,1116 25.972,1117 12.182,1118 1.879,1119 5.104,1120 22.904,1121 3.454,1122 13.651,1123 17.106,1124 1.599,1125 28.346,1126 13.3,1127 1.433,1128 5.017,1129 24.778,1130 2.631,1131 14.741,1132 18.424,1134 30.693,1135 14.36,1136 1.135,1137 3.105,1138 26.658,1139 2.481,1140 15.871,1141 19.874,1142 1.69,1143 33.059,1144 15.464,1145 1,1146 2.587,1147 28.542,1148 2.042,1149 16.979,1150 21.231,1152 35.414,1153 16.544,1154 2260,1155 4637,1156 11.731,1157 17.387,1158 26.523,1159 27.714,1160 27.352,1161 26.13,1162 25.999,1163 35.717,1164 2.117,1165 71.452,1166 24.92,1167 5.275,1168 5.677,1169 6.481,1170 5.103,1171 5.092,1172 7.102,1173 2.117,1174 17.235,1175 5.005,1176 7.9,1177 1.473,1178 1.54,1179 1.52,1180 1.452,1181 1.444,1182 1.984,1183 0.118,1184 3.97,1185 1.384,1186 3.963,1187 3.99,1188 3.935,1189 3.861,1190 8.211,1191 3.873,1192 3.833,1193 3.872,1194 3.777,1195 3.724,1196 8.191,1197 3.731,1198 3.295,1199 3.333,1200 3.239,1201 3.062,1202 7.428,1203 3.098,1204 2.937,1205 2.985,1206 2.913,1207 2.735,1208 4.908,1209 2.753,1210 2.854,1211 2.925,1212 2.704,1213 2.73,1214 4.502,1215 2.715,1216 2.785,1217 2.855,1218 2.687,1219 2.563,1220 4.034,1221 2.589,1222 2.523,1223 2.563,1224 2.475,1225 2.213,1226 3.674,1227 2.267,1228 1.959,1229 2.086,1230 1.693,1231 1.434,1232 3.4,1233 1.474,1234 0.247,1235 0.204,1236 0.371,1237 0.226,1238 0.172,1239 4.448,1240 0.228,1241 3.677,1242 0.059,1243 6.679,1244 0.589,1245 4.067,1246 0.167,1247 3.092,1248 4.102,1249 1.058,1250 10.6,1251 3.005,1252 1.896,1253 1.876,1254 1.974,1255 2.023,1256 1.049,1257 2.007,1258 1.801,1259 1.763,1260 1.912,1261 1.93,1262 0.938,1263 1.926,1264 1.174,1265 1.142,1266 1.303,1267 1.45,1268 0.27,1269 1.406,1270 0.886,1271 0.821,1272 1.181,1273 1.074,1274 0.218,1275 1.107,1276 0.832,1277 0.787,1278 1.035,1279 1.062,1280 0.072,1281 1.047,1282 0.707,1283 0.636,1284 0.911,1285 0.961,1287 0.948,1288 0.36,1289 0.316,1290 0.644,1291 0.705,1293 0.669,1296 0.381,1297 0.355,1299 0.33,1300 3.611,1302 4.89,1304 6.378,1306 7.962,1308 9.59,1312 26.581,1317 2.381,1326 17.631,1327 45.077,1328 78.835,1329 92.487,1330 100.096,1331 100.096,1332 100.096,1333 39.868,1334 5.852,1335 41.99,1336 41.99,1337 12,1338 11.765,1339 3.807,1340 3,1341 28.358,1342 44,1343 41,1344 0.323,1345 110.581,1346 194.09,1347 261.578,1348 2096,1349 8,1350 12.251,1351 0.721,1352 0.509,1353 10.51,1354 8.653,1355 8.182,1356 0.455,1357 0.269,1358 4.738,1359 7.749,1360 4.687,1361 3.881,1362 7.36,1363 4.837,1364 7.18,1365 0.299,1366 0.137,1367 6.115,1368 3.287,1369 5.72,1370 0.191,1371 0.071,1372 4.884,1373 2.128,1374 4.935,1375 0.133,1376 0.036,1377 3.844,1378 1.344,1379 3.146,1380 0.083,1381 0.02,1382 2.945,1383 0.773,1384 0.488,1385 52.307,1386 0.292,1387 17.042,1388 0.934,1389 84,1390 411.936,1391 97.318,1392 344.965,1393 441,1394 318,1395 96,1396 300.669,1397 108.308,1398 292.001,1399 422.92,1400 274,1401 4.618}
{0 CHEMBL1370449,1 1.633,2 6.278,3 2.105,4 4.433,5 69.645,6 7.848,7 0.55,8 3.563,9 3.678,10 3.186,11 3.103,12 4.719,13 3.094,14 4.105,15 4.27,16 3.528,17 3.519,18 5.333,19 3.489,20 4.345,21 4.565,22 3.547,23 3.632,24 5.34,25 3.567,26 4.322,27 4.527,28 3.567,29 3.572,30 5.483,31 3.529,32 4.305,33 4.5,34 3.439,35 3.516,36 5.546,37 3.445,38 4.21,39 4.462,40 3.036,41 3.293,42 5.217,43 3.149,44 3.958,45 4.256,46 2.6,47 2.78,48 4.925,49 2.657,50 3.47,51 3.729,52 2.088,53 1.983,54 4.844,55 2.017,56 0.117,57 0.482,58 5.769,59 2.663,60 5.807,61 3.478,62 0.223,63 0.78,64 11.39,65 4.485,66 39.411,67 6,68 0.198,69 0.924,70 16.195,71 5.982,72 21.307,73 8.397,74 0.232,75 0.875,76 15.886,77 5.799,78 28.513,79 7.811,80 0.351,81 0.832,82 15.575,83 5.789,84 45.447,85 7.582,86 0.278,87 0.707,88 15.527,89 5.515,90 30.537,91 7.92,92 0.248,93 0.508,94 13.43,95 3.504,96 35.096,97 5.327,98 0.316,99 0.245,100 8.963,101 1.543,102 50.978,103 1.821,104 6,105 28,106 0.306,107 0.611,108 0.742,109 0.783,110 0.795,111 0.795,112 2.963,113 0.905,114 -3.37,115 -3.36,116 -3.21,120 41.9,122 2,126 2,143 3,144 2,145 2,146 2,167 2,174 4,176 1,177 8,185 3,189 10,197 3,200 1,201 6,209 5,213 4,214 3,222 6,226 2,240 4,252 4,274 326,275 12.328,276 12.328,277 12.328,278 12.328,279 12.328,280 10.769,281 14.632,282 7.326,283 12.553,284 9.877,285 9.877,286 9.877,287 9.877,288 9.877,289 7.55,290 18.464,291 3.43,292 10.224,293 3.321,294 1.689,295 0.992,296 0.774,297 0.71,298 0.71,299 3.639,306 1,307 1,308 243,309 2.345,312 38.513,313 75.695,317 65.229,320 1.086,321 18.616,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39.5,333 113,334 4.66,335 3.808,336 6.853,337 4.204,338 3.225,339 4.611,340 2.612,341 11.391,342 3.158,343 4.074,344 3.25,345 6.226,346 3.678,347 2.73,348 3.637,349 0.8,350 9.139,351 2.587,352 3.655,353 2.692,354 5.465,355 3.232,356 2.266,357 2.997,359 6.696,360 2.185,361 3.088,362 1.921,363 4.631,364 2.751,365 1.775,366 2.331,368 4.588,369 1.731,370 3.059,371 1.777,372 4.06,373 2.425,374 1.439,375 2.165,377 3.41,378 1.419,379 2.765,380 1.288,381 3.601,382 2.223,383 1.267,384 1.889,386 2.848,387 1.208,388 2.391,389 1.143,390 3.535,391 2.047,392 1.07,393 1.34,395 2.465,396 1.044,397 1.942,398 1,399 3.199,400 1.636,401 0.663,402 0.841,404 1.628,405 0.644,406 1.618,407 0.823,408 3,409 1.591,410 0.618,411 0.618,413 1.372,414 0.6,415 1.147,416 0.744,417 2.644,418 0.712,419 -0.261,420 -0.351,422 -0.669,423 -0.253,424 1,425 -0.025,426 2.345,427 0.391,428 -0.587,429 -0.87,431 -1.52,432 -0.573,433 0.904,434 -0.562,435 2,436 0.011,437 -0.945,438 -1.321,440 -2,441 -0.9,442 0.522,443 -0.9,444 2,446 -1,447 -1.516,449 -2.315,450 -1,451 -0.005,452 -1.061,453 1.704,454 -0.325,455 -1.294,456 -1.618,458 -3.076,459 -1.247,460 -0.317,461 -1.344,462 1.225,463 -0.585,464 -1.574,465 -1.884,467 -4.372,468 -1.5,469 8.367,470 0.465,471 0.401,472 0.022,473 25.5,474 1.417,475 13.5,476 0.75,477 12,478 0.667,479 11.257,480 0.625,481 19.233,482 0.62,483 15.978,484 0.888,485 4.83,486 0.268,487 3.941,488 0.219,489 0.08,491 0.335,496 0.349,497 1.266,498 0.676,499 1.028,500 0.424,501 0.941,502 0.605,503 1.111,504 0.838,505 0.969,506 0.33,507 0.936,508 0.632,509 1.05,510 0.831,511 0.993,512 0.406,513 0.946,514 0.869,515 1.061,516 0.836,517 1.026,518 0.813,519 0.941,520 0.916,521 0.984,522 1.105,523 1.173,524 1.04,525 1.189,526 0.596,527 1.107,528 1.028,529 1.238,530 0.717,531 1.235,532 1.124,533 0.954,534 1.04,535 0.947,536 1.043,537 0.954,538 3.239,539 0.318,540 1.594,541 0.352,542 3.562,543 0.586,544 2.5,546 2.222,547 1.278,548 0.987,549 0.511,550 0.336,551 0.099,552 0.063,554 2523,555 7306,556 2.12,557 41.9,559 7,561 2,564 4,567 1.595,568 2,569 2.719,570 -0.709,572 1,573 1,574 1,575 50.614,576 1.633,577 3.265,578 3.962,579 4.18,580 4.245,581 4.245,582 2.192,583 3.281,584 4.142,585 2.816,586 430.779,587 7.069,588 3951.32,589 1,590 1,592 1,593 153.58,594 1.352,595 4.109,596 0.125,598 0.079,599 0.046,600 0.035,601 0.022,602 0.024,603 0.012,604 0.016,606 0.359,607 0.67,608 1,609 0.816,610 73.972,611 0.271,612 -0.078,613 0.08,614 0.003,615 0.056,616 -0.011,617 0.088,618 -0.001,619 -0.001,620 0.031,621 0.238,622 0.012,623 -0.009,624 -0.043,625 0.079,626 0.005,627 0.078,628 0.057,629 -0.014,630 -0.076,631 0.099,632 -0.036,633 0.019,634 0.04,635 0.069,636 -0.005,637 -0.168,638 -0.19,639 -0.007,640 -0.23,641 0.164,642 -0.229,643 -0.037,644 -0.244,645 0.028,646 -0.201,647 -0.096,648 -0.104,649 0.073,650 -0.054,651 -0.081,652 0.038,653 -0.792,654 0.461,655 -0.28,656 0.415,657 -0.686,658 0.231,659 2.349,660 4.012,661 0.833,662 10.778,663 1.012,664 1.129,665 2.143,666 4.594,667 0.669,668 3.045,669 3.367,670 3.689,671 3.989,672 4.174,673 4.263,674 4.369,675 4.317,676 4.248,677 4.007,678 4.09,679 0.649,680 243.29,681 3.045,682 4.575,683 5.442,684 6.333,685 7.223,686 8.122,687 9.019,688 9.921,689 10.82,690 11.723,691 9.7,697 1,701 1,702 1,708 2,709 5,710 1,714 2,716 11,731 1,732 1,738 31,739 13,740 1,741 20,743 33,744 13,745 9,746 4,747 2,752 3,753 4,763 2,766 2,768 9,769 4,772 2,775 1,778 2,786 1,789 13,790 4,792 5,797 3,803 0.667,804 2,816 1,819 1,822 1,823 2,827 1,855 2,862 18,869 4,875 1,886 6.5,892 2,893 9,894 5.6,895 3.972,896 1.993,898 2.503,899 1.386,900 0.996,901 2.784,902 8.992,903 3.35,904 3.98,905 4.608,906 5.262,907 5.853,908 6.195,909 6.609,910 6.853,911 7.103,912 7.02,913 1,914 28,915 6.645,917 2.878,918 7.926,919 12.647,921 10.592,924 2.426,925 43.667,926 0.001,929 153.024,930 66.463,931 25.58,933 50.747,936 66.463,937 203.771,938 25.58,939 5.67,940 9.28,941 28.429,942 40.328,943 31.879,945 129.482,946 50.747,947 153.024,948 92.043,949 50.747,952 105.94,953 47.084,954 50.747,956 27.375,957 42.212,958 22.456,960 153.024,961 76.327,962 66.463,965 153.024,966 19.94,967 55.318,969 67.532,970 153.024,971 76.327,972 66.463,973 0.578,974 0.35,975 0.204,976 0.106,977 15,978 6,979 0.061,980 2,981 1,982 1.133,983 2.996,984 135.673,985 0.133,986 15,987 69.059,993 11.27,994 4.447,995 1.914,996 1.535,997 70.657,998 8.554,999 4.001,1003 1.205,1006 295.815,1007 27.5,1010 -0.349,1013 22.023,1020 31.378,1021 34.99,1022 0.33,1023 0.659,1024 0.8,1025 0.844,1026 0.857,1027 0.857,1028 4.572,1029 0.663,1030 5.425,1031 2.465,1032 4.043,1033 4.663,1034 2.577,1035 6.275,1036 3.979,1037 5.784,1038 0.618,1039 7.004,1040 1.628,1041 3.611,1042 4.59,1043 2.396,1044 7.29,1045 3.514,1046 7.108,1047 -0.261,1048 8.694,1049 1.372,1050 5.652,1051 6.96,1052 4.162,1053 10.44,1054 5.527,1055 8.477,1056 -0.587,1057 10.452,1058 -0.669,1059 6.111,1060 7.771,1061 4.51,1062 12.314,1063 5.957,1064 9.883,1065 -0.945,1066 12.252,1067 -1.52,1068 7.592,1069 9.615,1070 5.949,1071 14.976,1072 7.415,1073 11.315,1074 -1,1075 14.081,1076 -2,1077 8.444,1078 10.818,1079 6.556,1080 17.172,1081 8.245,1082 12.768,1083 -1.294,1084 15.929,1085 -2.315,1086 9.715,1087 12.465,1088 7.794,1089 19.677,1090 9.495,1091 3.225,1092 -1.574,1093 17.791,1094 -3.076,1095 10.74,1096 13.844,1097 8.548,1098 22.003,1099 10.501,1100 2.73,1101 11.391,1102 19.663,1103 -4.372,1104 11.933,1105 15.414,1106 9.67,1107 24.455,1108 11.676,1109 2.266,1110 9.139,1111 21.543,1112 4.611,1113 13.033,1114 16.874,1115 10.509,1116 26.837,1117 12.758,1118 1.775,1119 6.696,1120 23.428,1121 3.637,1122 14.202,1123 18.414,1124 11.563,1125 29.271,1126 13.909,1127 1.439,1128 4.588,1129 25.319,1130 2.997,1131 15.335,1132 19.91,1133 12.452,1134 31.678,1135 15.025,1136 1.267,1137 3.41,1138 27.214,1139 2.331,1140 16.497,1141 21.44,1142 13.468,1143 34.108,1144 16.169,1145 1.07,1146 2.848,1147 29.112,1148 2.165,1149 17.647,1150 22.952,1151 14.386,1152 36.527,1153 17.302,1154 2497,1155 4380,1156 13.523,1157 20.733,1158 29.755,1159 31.29,1160 30.741,1161 30.118,1162 30.108,1163 40.859,1164 6.825,1165 87.072,1166 29.151,1167 5.556,1168 5.808,1169 6.532,1170 5.24,1171 5.225,1172 7.611,1173 4.612,1174 18.885,1175 5.158,1176 6.958,1177 1.488,1178 1.565,1179 1.537,1180 1.506,1181 1.505,1182 2.043,1183 0.341,1184 4.354,1185 1.458,1186 4.127,1187 4.154,1188 4.097,1189 4.035,1190 7.815,1191 4.044,1192 3.792,1193 3.857,1194 3.682,1195 3.628,1196 6.999,1197 3.625,1198 3.609,1199 3.642,1200 3.571,1201 3.324,1202 4.96,1203 3.357,1204 3.314,1205 3.36,1206 3.227,1207 3.057,1208 4.466,1209 3.107,1210 2.906,1211 2.979,1212 2.807,1213 2.671,1214 4.2,1215 2.71,1216 2.869,1217 2.958,1218 2.583,1219 2.655,1220 3.785,1221 2.635,1222 2.692,1223 2.791,1224 2.522,1225 2.503,1226 3.469,1227 2.504,1228 2.551,1229 2.628,1230 2.408,1231 2.327,1232 3.294,1233 2.332,1234 0.233,1235 0.19,1236 0.343,1237 0.21,1238 0.161,1239 4.66,1240 0.231,1241 3.808,1242 0.131,1243 6.853,1244 0.57,1245 4.204,1246 0.158,1247 3.225,1248 4.611,1249 2.612,1250 11.391,1251 3.158,1252 2.059,1253 2.038,1254 2.117,1255 2.176,1256 1.283,1257 2.152,1258 1.577,1259 1.507,1260 1.86,1261 1.798,1262 1.211,1263 1.793,1264 1.461,1265 1.404,1266 1.668,1267 1.751,1268 0.937,1269 1.701,1270 1.417,1271 1.364,1272 1.568,1273 1.68,1274 0.572,1275 1.673,1276 1.088,1277 1.039,1278 1.243,1279 1.391,1280 0.292,1281 1.376,1282 0.815,1283 0.769,1284 1.015,1285 1.044,1286 0.094,1287 1.063,1288 0.58,1289 0.518,1290 0.883,1291 0.767,1293 0.79,1294 0.312,1295 0.158,1296 0.822,1297 0.675,1299 0.756,1300 3.714,1302 5.03,1303 2.398,1304 6.561,1305 4.443,1306 8.198,1307 6.293,1308 9.894,1315 4.414,1321 2.284,1326 20.128,1327 50.614,1328 101.216,1329 122.825,1330 129.58,1331 131.58,1332 131.58,1333 26.05,1334 6.489,1335 61.95,1336 61.95,1337 17,1338 12.244,1339 3.807,1340 3.087,1341 25.475,1342 44,1343 36,1344 0.302,1345 124.102,1346 209.32,1347 294.568,1348 4524,1350 12.535,1351 0.696,1352 0.549,1353 12.535,1354 9.873,1355 8.771,1356 0.439,1357 0.302,1358 5.943,1359 8.349,1360 5.858,1361 4.828,1362 8.771,1363 6.033,1364 7.806,1365 0.279,1366 0.16,1367 7.806,1368 4.476,1369 6.67,1370 0.171,1371 0.088,1372 6.67,1373 3.415,1374 5.863,1375 0.111,1376 0.048,1377 5.863,1378 2.552,1379 4.447,1380 0.069,1381 0.023,1382 4.447,1383 1.502,1384 0.442,1385 55.599,1386 0.272,1387 17.499,1388 0.934,1389 96,1390 306.406,1391 105.979,1392 294.278,1393 395.98,1394 272,1395 115,1396 296.294,1397 125.482,1398 293.976,1399 427.48,1400 276,1401 4.506}
{0 CHEMBL1370681,1 2.052,2 9.24,3 3.371,4 11.366,5 82.342,6 9.852,7 0.462,8 3.767,9 3.833,10 3.688,11 3.316,12 5.038,13 3.318,14 4.33,15 4.44,16 4.061,17 3.62,18 6.223,19 3.647,20 4.483,21 4.63,22 4.035,23 3.712,24 6.082,25 3.711,26 4.484,27 4.626,28 4.033,29 3.672,30 5.948,31 3.69,32 4.468,33 4.599,34 4.248,35 3.664,36 6.209,37 3.708,38 4.523,39 4.643,40 4.175,41 3.63,42 6.596,43 3.69,44 4.521,45 4.685,46 3.81,47 3.465,48 6.167,49 3.539,50 4.33,51 4.532,52 3.476,53 3.186,54 5.908,55 3.266,56 0.293,57 0.767,58 5.602,59 4.206,60 63.513,61 3.456,62 1.173,63 1.486,64 14.672,65 6.349,66 204.082,67 5.792,68 1.013,69 1.248,70 17.556,71 7.149,72 146.638,73 6.936,74 1.087,75 1.271,76 17.064,77 7.145,78 193.324,79 5.615,80 1.043,81 1.436,82 19.602,83 7.466,84 186.457,85 6.548,86 1.465,87 1.435,88 21.187,89 8.033,90 280.18,91 6.873,92 1.488,93 1.423,94 20.749,95 7.501,96 262.236,97 5.214,98 1.26,99 1.089,100 18.27,101 5.766,102 206.125,103 4.44,104 58,105 38,106 0.367,107 0.66,108 0.762,109 0.816,110 0.829,111 0.829,112 3.267,113 0.992,114 -3.78,115 -3.75,116 -3.56,120 39.5,122 1,125 1,126 1,133 1,143 6,144 1,147 2,151 1,159 1,174 6,176 3,177 5,185 7,188 4,189 4,197 5,201 5,209 2,213 4,214 7,222 1,226 4,227 6,235 2,240 5,247 2,252 6,260 2,264 4,271 1,274 931,275 15.797,276 15.797,277 15.797,278 15.797,279 15.797,280 14.034,281 11.074,282 9.105,283 16.607,284 12.752,285 12.752,286 12.752,287 12.752,288 12.752,289 9.868,290 9.615,291 4.273,292 14.031,293 3.196,294 1.564,295 0.994,296 0.691,297 0.619,298 0.619,299 3.92,305 1,306 1,307 1,308 466,309 4.472,313 174.925,320 1.37,321 62.82,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 59.5,333 231,334 4.864,335 5.248,336 7.316,337 4.292,338 3.435,339 4.716,340 3.825,341 12.514,342 2.973,343 4.445,344 4.46,345 7.102,346 4.101,347 3.262,348 3.948,349 2.95,350 11.65,351 2.742,352 4.13,353 3.672,354 6.142,355 3.767,356 2.799,357 3.535,358 2.443,359 9.071,360 2.649,361 3.627,362 2.943,363 5.082,364 3.292,365 2.314,366 2.857,367 0.286,368 6.01,369 2.233,370 3.471,371 2.667,372 4.924,373 2.947,374 2.009,375 2.786,377 5.687,378 1.871,379 3.049,380 2.025,381 4.499,382 2.542,383 1.6,384 2.262,386 4.106,387 1.485,388 2.724,389 1.679,390 4.316,391 2.219,392 1.319,393 1.791,395 3.991,396 1.167,397 2.53,398 1.461,399 3.495,400 2.006,401 1.042,402 1.544,404 2.587,405 1,406 2.5,407 1.116,408 3.333,409 2,410 1,411 1.5,413 2.136,414 0.998,415 1.832,416 1,417 3.247,418 1.638,419 0.711,420 0.758,422 1.442,423 0.649,424 1.452,425 0.991,426 2.845,427 1.073,428 0.129,429 0.153,431 0.184,432 0.118,433 1,434 0.583,435 2.766,436 0.481,437 -0.486,438 -0.66,440 -1.261,441 -0.466,442 0.926,443 0.51,444 2.506,445 0.27,446 -0.647,447 -0.876,449 -2.066,450 -0.585,451 0.785,452 0.51,453 2.427,454 0.048,455 -0.907,456 -1,458 -2.347,459 -0.7,460 0.56,461 -0.083,462 2,464 -1,465 -1,467 -2.413,468 -0.7,469 11.324,470 0.453,471 0.955,472 0.038,473 32.5,474 1.3,475 16.5,476 0.66,477 16,478 0.64,479 18.416,480 0.737,481 28.876,482 0.76,483 29.145,484 1.166,485 6.6,486 0.264,487 5.031,488 0.201,489 0.208,490 0.118,491 0.221,493 3,496 0.576,497 1.041,498 0.73,499 1.29,500 0.646,501 0.982,502 0.536,503 0.794,504 0.847,505 1.084,506 0.481,507 0.936,508 0.717,509 0.72,510 0.947,511 0.929,512 0.762,513 0.95,514 1.165,515 0.978,516 1.046,517 0.965,518 1.213,519 0.967,520 0.646,521 1.006,522 0.754,523 1.16,524 0.782,525 0.863,526 0.792,527 1.26,528 1.117,529 1.277,530 0.773,531 1.023,532 1.796,533 1.415,534 1.388,535 1.036,536 1.812,537 1.098,538 1.762,539 1.264,540 1.276,541 0.848,542 1.686,543 0.989,544 8,545 0.037,546 3.778,547 1.625,548 1.6,549 1.931,550 0.632,551 0.385,552 0.385,553 0.141,554 5746,555 26895,556 1.888,557 34.2,559 11,563 2,567 1.688,568 1.705,569 3.119,570 -0.593,571 1,572 1,575 77.957,576 2.052,577 3.684,578 4.254,579 4.557,580 4.629,581 4.629,582 2.649,583 4.134,584 4.611,585 3.301,586 990.408,587 8.022,588 11856.1,589 1,590 1,591 1,592 1,593 199.421,594 1.791,595 4.512,596 0.308,597 0.004,598 0.099,599 0.043,600 0.046,601 0.047,602 0.015,603 0.013,604 0.018,605 0.009,606 0.602,607 0.33,608 1,609 1.735,610 118.756,612 -0.095,613 0.151,614 -0.09,615 -0.099,616 -0.017,617 0.335,618 0.214,619 0.091,620 -0.015,621 0.349,622 0.001,623 0.032,624 0.065,625 -0.017,626 0.044,627 0.005,628 0.008,629 -0.287,630 -0.095,631 -0.093,632 0.024,633 -0.29,634 -0.031,635 0.213,636 -0.084,637 0.324,638 -0.074,639 0.1,640 0.094,641 0.288,642 -0.147,643 -0.017,644 -0.169,645 0.389,646 -0.091,647 -0.509,648 -0.162,649 -0.418,650 -0.092,651 -0.447,652 -0.187,653 -0.484,654 -0.023,655 -0.343,656 -0.003,657 -0.416,658 -0.057,659 6.098,660 5.215,661 0.48,662 21.21,663 1.061,664 1.149,665 2.553,666 6.519,667 0.674,668 3.296,669 3.664,670 3.807,671 3.951,672 4.277,673 4.357,674 4.407,675 4.394,676 4.331,677 4.205,678 5.559,679 0.682,680 374.37,681 3.296,682 4.86,683 5.68,684 6.569,685 7.426,686 8.318,687 9.191,688 10.086,689 10.967,690 11.865,691 5.3,701 2,709 6,710 2,714 4,716 12,738 38,739 15,740 1,741 26,743 39,744 15,745 10,746 1,747 5,752 2,753 2,759 1,765 1,766 1,768 11,769 4,772 3,776 1,778 3,782 1,785 1,786 1,787 3,789 13,790 9,792 10,793 1,797 2,803 1,804 4,817 1,823 2,841 1,855 2,857 1,859 1,861 3,862 25,865 1,869 2,872 1,876 1,885 3,886 10.5,889 3,891 1,893 14.667,894 7.162,895 5.403,896 2.015,898 2.332,899 1.352,900 0.946,901 5.565,902 8.952,903 3.584,904 4.205,905 4.649,906 5.139,907 5.769,908 6.034,909 6.437,910 6.662,911 6.88,912 7.072,913 1,914 38,915 10.412,917 5.61,918 8.78,919 16.278,921 13.057,924 3.28,925 82,929 153.024,930 101.564,931 33.571,933 80.458,934 44.88,935 6.046,936 95.518,937 233.482,938 78.451,939 10.883,940 3.434,941 62.903,942 110.22,943 64.579,944 0.693,945 153.024,946 7.76,947 153.024,948 129.089,949 125.338,950 6.046,952 153.024,953 125.338,956 17.4,957 78.117,958 39.617,960 197.905,961 114.029,962 101.564,964 6.046,965 160.784,966 20.018,967 67.741,969 158.909,970 153.024,971 158.909,972 101.564,973 0.598,974 0.321,975 0.14,976 0.092,977 17,978 9,979 0.154,980 6,982 1,983 3.436,984 200.899,986 12,987 105.342,992 1,993 19.045,994 7.305,995 4.85,997 158.909,998 8.477,999 6.871,1003 -2.234,1006 413.497,1007 35,1011 -4.302,1013 35.527,1017 -0.807,1020 40.313,1021 43.68,1022 0.391,1023 0.702,1024 0.811,1025 0.868,1026 0.882,1027 0.882,1028 4.844,1029 1.042,1030 5.765,1031 3.991,1032 4.344,1033 4.89,1034 3.877,1035 6.655,1036 4.157,1037 6.119,1038 1,1039 7.401,1040 2.587,1041 4.369,1042 5.094,1043 4.06,1044 8.089,1045 3.954,1046 7.496,1047 0.711,1048 9.16,1049 2.136,1050 6.125,1051 7.215,1052 6.047,1053 11.04,1054 5.693,1055 8.914,1056 0.129,1057 10.992,1058 1.442,1059 6.889,1060 8.173,1061 6.774,1062 13.194,1063 6.201,1064 10.364,1065 -0.486,1066 12.868,1067 0.184,1068 8.259,1069 9.902,1070 8.459,1071 15.816,1072 7.524,1073 11.838,1074 -0.647,1075 14.773,1076 -1.261,1077 9.296,1078 11.175,1079 9.427,1080 18.197,1081 8.326,1082 13.33,1083 -0.907,1084 16.698,1085 -2.066,1086 10.55,1087 12.774,1088 10.981,1089 20.732,1090 9.49,1091 3.435,1092 -1,1093 18.635,1094 -2.347,1095 11.69,1096 14.188,1097 12.091,1098 23.19,1099 10.425,1100 3.262,1101 12.514,1102 20.583,1103 -2.413,1104 12.909,1105 15.742,1106 13.565,1107 25.7,1108 11.524,1109 2.799,1110 11.65,1111 22.537,1112 4.716,1113 14.091,1114 17.223,1115 14.765,1116 28.187,1117 12.523,1118 2.314,1119 9.071,1120 24.496,1121 3.948,1122 15.302,1123 18.763,1124 16.189,1125 30.692,1126 13.596,1127 2.009,1128 6.01,1129 26.459,1130 3.535,1131 16.502,1132 20.276,1133 17.444,1134 33.191,1135 14.626,1136 1.6,1137 5.687,1138 28.426,1139 2.857,1140 17.713,1141 21.814,1142 18.836,1143 35.697,1144 15.691,1145 1.319,1146 4.106,1147 30.395,1148 2.786,1149 18.921,1150 23.343,1151 20.126,1152 38.202,1153 16.738,1154 5994,1155 13143,1156 15.89,1157 25.619,1158 39.631,1159 41.061,1160 40.454,1161 39.532,1162 39.239,1163 51.698,1164 19.008,1165 118.755,1166 35.772,1167 5.752,1168 7.248,1169 7.118,1170 5.414,1171 5.435,1172 7.716,1173 6.775,1174 19.972,1175 4.973,1176 16.352,1177 1.524,1178 1.579,1179 1.556,1180 1.52,1181 1.509,1182 1.988,1183 0.731,1184 4.567,1185 1.376,1186 4.091,1187 4.083,1188 4.739,1189 4.057,1190 8.513,1191 3.975,1192 3.887,1193 3.889,1194 3.903,1195 3.849,1196 7.999,1197 3.803,1198 3.686,1199 3.715,1200 3.676,1201 3.528,1202 7.999,1203 3.537,1204 3.511,1205 3.5,1206 3.495,1207 3.263,1208 7.714,1209 3.277,1210 3.22,1211 3.273,1212 3.237,1213 2.927,1214 7.432,1215 2.978,1216 3.091,1217 3.157,1218 2.868,1219 2.85,1220 6.999,1221 2.831,1222 2.854,1223 2.925,1224 2.694,1225 2.735,1226 4.927,1227 2.715,1228 2.765,1229 2.822,1230 2.687,1231 2.533,1232 4.668,1233 2.566,1234 0.187,1235 0.202,1236 0.281,1237 0.165,1238 0.132,1239 4.864,1240 0.181,1241 5.248,1242 0.147,1243 7.316,1244 0.481,1245 4.292,1246 0.114,1247 3.435,1248 4.716,1249 3.825,1250 12.514,1251 2.973,1252 1.967,1253 1.959,1254 2.04,1255 2.068,1256 1.259,1257 2.079,1258 1.824,1259 1.833,1260 1.82,1261 1.922,1262 1.109,1263 1.958,1264 1.597,1265 1.567,1266 1.721,1267 1.796,1268 0.792,1269 1.772,1270 1.321,1271 1.327,1272 1.567,1273 1.6,1274 0.59,1275 1.597,1276 1.081,1277 1.006,1278 1.181,1279 1.387,1280 0.47,1281 1.374,1282 1.001,1283 0.963,1284 1.113,1285 1.272,1286 0.218,1287 1.227,1288 0.886,1289 0.821,1290 1.101,1291 1.062,1292 0.189,1293 1.107,1294 0.663,1295 0.608,1296 0.838,1297 0.942,1299 0.937,1300 3.97,1302 5.323,1304 6.86,1306 8.472,1308 10.129,1310 1.073,1312 39.184,1315 -1.27,1318 4.328,1322 -4.848,1326 25.927,1327 77.957,1328 139.995,1329 161.647,1330 173.157,1331 175.911,1332 175.911,1333 85.761,1334 6.62,1335 86.22,1336 94.6,1337 12,1338 12.392,1339 4,1340 3.322,1341 51.188,1342 81,1343 96,1344 0.313,1345 163.676,1346 296.94,1347 391.13,1348 5191,1349 7.9,1350 18.665,1351 0.747,1352 0.551,1353 16.415,1354 13.764,1355 11.631,1356 0.447,1357 0.331,1358 6.902,1359 10.107,1360 6.651,1361 5.465,1362 11.241,1363 8.598,1364 11.666,1365 0.307,1366 0.182,1367 11.031,1368 6.933,1369 8.368,1370 0.19,1371 0.105,1372 8.444,1373 4.627,1374 5.725,1375 0.112,1376 0.058,1377 6.218,1378 2.97,1379 5.21,1380 0.073,1381 0.031,1382 5.74,1383 2.203,1384 0.474,1385 83.757,1386 0.251,1387 23.84,1388 0.91,1389 128,1390 687.426,1391 195.796,1392 588.095,1393 742.44,1394 536,1395 146,1396 473.883,1397 211.974,1398 489.558,1399 728.32,1400 454,1401 5.018}
{0 CHEMBL1370884,1 1.777,2 8.048,3 3.493,4 12.2,5 88.393,6 11.049,7 0.667,8 3.559,9 3.589,10 3.719,11 3.436,12 4.667,13 3.322,14 4.054,15 4.097,16 4.145,17 3.843,18 5.489,19 3.718,20 4.207,21 4.314,22 4.099,23 3.865,24 5.446,25 3.704,26 4.105,27 4.207,28 3.97,29 3.714,30 5.394,31 3.544,32 3.908,33 4.012,34 3.765,35 3.504,36 5.168,37 3.309,38 3.68,39 3.754,40 3.61,41 3.317,42 5.102,43 3.202,44 3.618,45 3.702,46 3.37,47 3.27,48 4.89,49 3.182,50 3.675,51 3.802,52 3.17,53 3.203,54 4.913,55 3.078,56 0.064,57 0.325,58 3.015,59 2.608,60 12.271,61 2.409,62 0.182,63 0.577,64 7.971,65 4.656,66 33.549,67 4.101,68 0.187,69 0.748,70 15.419,71 7.005,72 27.874,73 6.306,74 0.213,75 0.728,76 15.301,77 6.949,78 23.649,79 5.572,80 0.226,81 0.658,82 19.78,83 6.937,84 33.027,85 4.699,86 0.232,87 0.485,88 10.863,89 4.473,90 27.265,91 3.135,92 0.076,93 0.375,94 4.723,95 2.812,96 10.357,97 2.687,98 0.083,99 0.411,100 7.539,101 3.642,102 8.561,103 3.784,104 5,105 36,106 0.326,107 0.566,108 0.691,109 0.838,110 0.887,111 0.887,112 3.105,113 1.176,114 -4.08,115 -4.03,116 -3.81,120 50,138 1,139 1,143 8,144 1,145 1,147 1,153 1,163 1,174 7,176 1,177 3,185 9,189 6,197 6,201 8,209 6,214 3,222 4,226 2,227 4,235 4,240 1,247 5,252 4,260 6,264 4,271 6,274 501,275 14.195,276 14.195,277 14.195,278 14.195,279 14.195,280 11.922,281 6.475,282 8.235,283 14.891,284 11.902,285 11.902,286 11.902,287 11.902,288 11.902,289 8.371,290 5.237,291 3.949,292 13.165,293 3.13,294 1.818,295 1.133,296 0.333,297 0.067,298 0.067,299 3.802,305 1,306 1,307 1,308 379,309 2.646,312 74.452,313 98.351,316 145.398,320 1.102,321 23.599,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44.5,333 169,334 4.974,335 5.29,336 7.471,337 4.403,338 3.521,339 4.859,340 2.95,341 13.242,342 3.095,343 4.46,344 4.534,345 6.254,346 3.886,347 2.986,348 4.402,349 2.95,350 9.51,351 2.707,352 3.96,353 3.195,354 6.062,355 3.452,356 2.53,357 3.469,359 8.589,360 2.308,361 3.564,362 2.851,363 5.322,364 3.032,365 2.147,366 2.933,368 6.546,369 1.867,370 3.288,371 2.7,372 4.967,373 2.728,374 1.802,375 2.575,377 5.348,378 1.642,379 3.032,380 1.82,381 4.414,382 2.461,383 1.532,384 2.298,386 4.312,387 1.405,388 2.842,389 1.532,390 3.807,391 2.336,392 1.369,393 1.998,395 2.974,396 1.305,397 2.741,398 1.457,399 3.622,400 2.214,401 1.242,402 1.828,404 2.859,405 1.196,406 2.542,407 1.337,408 3.594,409 1.969,410 1,411 1.504,413 2.567,414 0.959,415 1.847,416 0.817,417 3.109,418 1.241,419 0.347,420 0.521,422 0.86,423 0.304,424 1.235,425 0.401,426 3,427 0.685,428 -0.125,429 -0.155,431 -0.379,432 -0.099,433 1,434 0.347,435 2.665,436 0.478,437 -0.487,438 -0.691,440 -1.32,441 -0.46,442 0.957,443 -0.008,444 2.599,445 0.169,446 -0.769,447 -1.024,449 -1.951,450 -0.677,451 0.673,452 -0.349,453 2,454 0.108,455 -0.87,456 -1.253,458 -2.137,459 -0.833,460 0.598,461 -0.859,462 2,464 -1,465 -1.5,467 -2.625,468 -0.909,469 11.067,470 0.527,471 0.625,472 0.03,473 32,474 1.524,475 19,476 0.905,477 13,478 0.619,479 13.966,480 0.665,481 20.133,482 0.671,483 19.577,484 0.932,485 5.781,486 0.275,487 4.352,488 0.207,489 0.06,490 0.075,491 0.271,496 0.382,497 0.844,498 0.768,499 0.873,500 0.632,501 0.684,502 0.588,503 1,504 0.765,505 0.857,506 0.566,507 0.823,508 1.004,509 0.94,510 0.938,511 0.898,512 0.961,513 0.905,514 1.117,515 1.162,516 1.312,517 1.273,518 1.044,519 1.096,520 1.537,521 1.152,522 1.555,523 1.312,524 1.415,525 1.078,526 1.003,527 0.986,528 1.284,529 1.201,530 1.113,531 0.89,532 0.951,533 0.973,534 0.876,535 0.917,536 0.901,537 0.987,538 0.816,539 1.089,540 0.972,541 1.086,542 0.735,543 1.248,544 5,545 0.005,546 2.667,547 2.653,548 0.707,549 0.726,550 0.246,551 0.394,552 0.145,553 0.07,554 4498,555 14576,556 2.173,557 30,559 8,560 1,567 1.632,568 2.049,569 3.014,570 -0.704,572 1,574 1,575 53.319,576 1.777,577 3.089,578 3.774,579 4.574,580 4.84,581 4.84,582 2.398,583 3.785,584 4.369,585 3.137,586 658.853,587 7.483,588 6824.42,589 1,590 1,591 1,592 1,593 147.207,594 1.51,595 4.324,596 0.208,597 0.002,598 0.074,599 0.08,600 0.026,601 0.035,602 0.012,603 0.02,604 0.009,605 0.007,606 0.473,607 0.67,608 1,609 0.532,610 93.408,611 0.135,612 -0.015,613 0.103,614 -0.027,615 -0.16,616 0.053,617 0.212,618 -0.126,619 0.096,620 0.001,621 0.226,622 -0.063,623 -0.089,624 0.022,625 0.068,626 0.095,627 -0.051,628 0.058,629 -0.084,630 -0.112,631 -0.125,632 -0.146,633 -0.03,634 -0.103,635 -0.305,636 -0.01,637 -0.219,638 -0.059,639 -0.196,640 -0.044,641 0.189,642 0.105,643 -0.179,644 -0.137,645 0.046,646 -0.013,647 -0.121,648 -0.096,649 -0.184,650 -0.172,651 -0.083,652 -0.195,653 -0.035,654 -0.234,655 -0.187,656 -0.261,657 0.071,658 -0.284,659 4.228,660 5.119,661 0.857,662 13.551,663 1.017,664 1.078,665 2.851,666 8.128,667 0.83,668 3.219,669 3.611,670 3.912,671 4.248,672 4.431,673 4.454,674 4.615,675 4.754,676 4.796,677 4.82,678 4.972,679 0.771,680 331.46,681 3.219,682 4.796,683 5.673,684 6.594,685 7.491,686 8.414,687 9.318,688 10.242,689 11.15,690 12.073,691 3.3,701 1,708 2,709 8,710 1,713 1,714 3,716 16,738 30,739 19,740 2,741 24,743 33,744 15,745 13,746 4,747 8,748 2,752 4,753 6,768 15,772 3,776 1,778 2,780 1,782 1,785 1,786 1,789 9,790 3,792 6,793 3,797 1,803 0.5,804 2,822 2,823 2,826 2,845 1,855 2,856 1,857 3,862 21,865 1,873 1,879 1,886 6.7,889 2,893 10.25,894 5.533,895 4.375,896 1.69,898 3.569,899 1.493,900 1.085,901 2.999,902 10.813,903 3.584,904 4.301,905 4.925,906 5.573,907 6.074,908 6.329,909 6.773,910 7.175,911 7.39,912 7.662,913 1,914 33,915 7.945,917 3.739,918 7.861,919 14.866,921 13.058,924 2.361,925 49.583,929 105.94,930 162.372,931 16.786,933 44.313,935 69.543,936 92.828,937 150.253,938 16.786,940 7.841,941 81.856,942 62.649,943 6.88,944 12.517,945 157.666,947 105.94,948 109.614,949 44.313,950 69.543,952 105.94,953 44.313,956 2.144,957 89.133,958 24.382,959 63.497,960 105.94,961 61.098,962 162.372,964 6.046,965 105.94,966 72.674,967 83.651,969 61.098,970 105.94,971 61.098,972 162.372,973 0.598,974 0.351,975 0.201,976 0.107,977 21,978 8,979 0.061,980 2,981 2,982 1.222,983 3.364,984 173.359,985 0.222,986 18,987 90.239,989 2,992 1,993 13.201,994 4.77,995 2.238,996 2.05,997 61.098,998 14.99,999 4.543,1002 1.575,1003 2.004,1006 329.41,1007 35,1011 -3.311,1013 24.238,1015 1.342,1017 0.74,1020 30.52,1021 32.338,1022 0.362,1023 0.63,1024 0.769,1025 0.932,1026 0.986,1027 0.986,1028 4.836,1029 1.242,1030 5.714,1031 2.974,1032 4.29,1033 4.987,1034 3.578,1035 6.621,1036 4.095,1037 6.116,1038 1,1039 7.334,1040 2.859,1041 4.111,1042 5.112,1044 7.888,1045 3.736,1046 7.494,1047 0.347,1048 9.07,1049 2.567,1050 6.023,1051 7.405,1052 5.717,1053 10.975,1054 5.602,1055 8.919,1056 -0.125,1057 10.877,1058 0.86,1059 6.673,1060 8.361,1062 13.081,1063 6.051,1064 10.381,1065 -0.487,1066 12.733,1067 -0.379,1068 8.122,1069 10.174,1070 7.878,1071 15.778,1072 7.449,1073 11.87,1074 -0.769,1075 14.621,1076 -1.32,1077 9.124,1078 11.484,1080 18.189,1081 8.261,1082 13.382,1083 -0.87,1084 16.534,1085 -1.951,1086 10.419,1087 13.129,1088 10.041,1089 20.79,1090 9.48,1091 3.521,1092 -1,1093 18.465,1094 -2.137,1095 11.564,1096 14.586,1098 23.309,1099 10.455,1100 2.986,1101 13.242,1102 20.412,1103 -2.625,1104 12.815,1105 16.172,1106 12.204,1107 25.89,1108 11.604,1109 2.53,1110 9.51,1111 22.37,1112 4.859,1113 14.018,1114 17.69,1116 28.448,1117 12.654,1118 2.147,1119 8.589,1120 24.337,1121 4.402,1122 15.259,1123 19.258,1124 14.368,1125 31.028,1126 13.778,1127 1.802,1128 6.546,1129 26.313,1130 3.469,1131 16.488,1132 20.801,1134 33.6,1135 14.862,1136 1.532,1137 5.348,1138 28.294,1139 2.933,1140 17.73,1141 22.365,1142 16.532,1143 36.181,1144 15.98,1145 1.369,1146 4.312,1147 30.281,1148 2.575,1149 18.97,1150 23.92,1152 38.759,1153 17.082,1154 4201,1155 7732,1156 16.296,1157 24.903,1158 37.333,1159 41.232,1160 37.247,1161 37.114,1162 36.955,1163 52.775,1164 11.8,1165 113.616,1166 33.574,1167 5.83,1168 7.29,1169 7.154,1170 5.636,1171 5.521,1172 7.859,1173 5.9,1174 21.033,1175 5.095,1176 7.587,1177 1.556,1178 1.718,1179 1.552,1180 1.546,1181 1.54,1182 2.199,1183 0.492,1184 4.734,1185 1.399,1186 4.164,1187 4.132,1188 4.78,1189 4.207,1190 7.716,1191 4.107,1192 4.025,1193 4.033,1194 4.363,1195 4.032,1196 6.999,1197 3.976,1198 3.574,1199 3.567,1200 3.723,1201 3.524,1202 4.962,1203 3.465,1204 3.331,1205 3.341,1206 3.595,1207 3.369,1208 4.717,1209 3.262,1210 3.029,1211 3.039,1212 3.3,1213 3.008,1214 4.297,1215 2.939,1216 2.884,1217 2.939,1218 2.85,1219 2.79,1220 4.028,1221 2.768,1222 2.676,1223 2.705,1224 2.665,1225 2.591,1226 3.713,1227 2.531,1228 2.475,1229 2.528,1230 2.484,1231 2.4,1232 3.603,1233 2.374,1234 0.207,1235 0.22,1236 0.311,1237 0.183,1238 0.147,1239 4.974,1240 0.202,1241 5.29,1242 0.123,1243 7.471,1244 0.552,1245 4.403,1246 0.129,1247 3.521,1248 4.859,1249 2.95,1250 13.242,1251 3.095,1252 1.91,1253 1.918,1254 1.98,1255 1.963,1256 1.14,1257 1.992,1258 1.898,1259 1.88,1260 1.968,1261 1.956,1262 1.1,1263 1.979,1264 1.659,1265 1.702,1266 1.446,1267 1.692,1268 0.889,1269 1.766,1270 1.27,1271 1.292,1272 1.206,1273 1.319,1274 0.453,1275 1.364,1276 1.021,1277 1.008,1278 1.084,1279 1.131,1280 0.296,1281 1.159,1282 0.917,1283 0.883,1284 1.03,1285 1.003,1286 0.182,1287 1.05,1288 0.786,1289 0.724,1290 1.015,1291 0.964,1292 0.138,1293 1.01,1294 0.696,1295 0.647,1296 0.69,1297 0.81,1298 0.004,1299 0.884,1300 3.892,1302 5.263,1303 3.045,1304 6.823,1305 5.533,1306 8.468,1307 7.727,1308 10.158,1319 1.411,1326 23.12,1327 53.319,1328 92.677,1329 113.207,1330 137.207,1331 145.207,1332 145.207,1333 32.495,1334 7.244,1335 47.03,1336 108.95,1337 22,1338 12.582,1339 4.322,1340 3.585,1341 28.02,1342 63,1343 52,1344 0.224,1345 149.842,1346 248.91,1347 357.375,1348 12942,1350 14.449,1351 0.688,1352 0.625,1353 15.406,1354 13.134,1355 10.133,1356 0.422,1357 0.392,1358 6.467,1359 8.402,1360 6.044,1361 4.974,1362 11.771,1363 9.41,1364 9.885,1365 0.275,1366 0.241,1367 12.577,1368 8.658,1369 8.192,1370 0.167,1371 0.143,1372 10.848,1373 7.012,1374 7.409,1375 0.107,1376 0.09,1377 10.687,1378 6.202,1379 5.916,1380 0.071,1381 0.057,1382 9.111,1383 4.747,1384 0.341,1385 78.582,1386 0.248,1387 20.48,1388 0.64,1389 120,1390 357.697,1391 220.292,1392 413.871,1393 568.06,1394 382,1395 145,1396 364.713,1397 242.837,1398 439.199,1399 649.92,1400 412,1401 5.406}
{0 CHEMBL1370982,1 1.576,2 12.118,3 4.525,4 20.472,5 127.332,6 8.027,7 0.486,8 4.141,9 4.242,10 3.766,11 3.715,12 5.353,13 3.704,14 4.661,15 4.807,16 4.132,17 4.107,18 5.93,19 4.079,20 4.93,21 5.113,22 4.238,23 4.234,24 6.137,25 4.199,26 5.039,27 5.231,28 4.18,29 4.192,30 6.365,31 4.155,32 4.963,33 5.153,34 4.084,35 4.158,36 6.209,37 4.105,38 4.956,39 5.148,40 4.028,41 4.185,42 6.23,43 4.098,44 4.979,45 5.199,46 3.998,47 4.2,48 6.014,49 4.091,50 5,51 5.233,52 4.037,53 4.151,54 6.109,55 4.071,56 0.146,57 0.795,58 9.685,59 5.095,60 10.143,61 6.177,62 0.398,63 1.295,64 18.872,65 8.489,66 50.771,67 10.721,68 0.327,69 1.62,70 27.365,71 11.217,72 45.411,73 14.304,74 0.775,75 1.697,76 33.662,77 11.776,78 136.873,79 14.277,80 0.714,81 1.571,82 30.968,83 11.45,84 112.815,85 13.767,86 0.801,87 1.571,88 30.286,89 11.815,90 149.504,91 14.853,92 0.538,93 1.646,94 31.429,95 12.596,96 74.072,97 16.935,98 0.533,99 1.646,100 33.872,101 12.391,102 91.191,103 16.497,104 38,105 52,106 0.254,107 0.52,108 0.664,109 0.776,110 0.824,111 0.836,112 3.56,113 0.888,114 -5.7,115 -5.56,116 -5.19,120 45.6,121 1,122 2,126 2,143 12,144 4,145 2,159 3,167 2,174 16,176 4,177 12,185 16,189 20,197 9,200 1,201 19,209 7,213 3,214 12,222 17,226 4,227 1,235 17,239 3,240 9,247 13,252 15,260 7,263 2,264 19,271 8,274 2350,275 22.742,276 22.742,277 22.742,278 22.742,279 22.742,280 20.01,281 25.271,282 13.308,283 22.945,284 18.186,285 18.186,286 18.186,287 18.186,288 18.186,289 13.972,290 26.736,291 6.239,292 18.458,293 4.256,294 2.603,295 1.711,296 1.014,297 0.715,298 0.645,299 4.252,306 1,307 1,308 884,309 4.183,312 86.739,313 365.15,316 167.703,320 1.595,321 51.386,324 0.75,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.81,332 74.5,333 412,334 4.585,335 3.952,336 6.964,337 4.291,338 3.301,339 4.146,340 2.612,341 11.689,342 3.262,343 4.39,344 3.791,345 6.617,346 4.064,347 3.092,348 4.03,349 1.349,350 10.477,351 3.009,352 4.185,353 3.714,354 5.989,355 3.735,356 2.766,357 3.725,358 1.2,359 8.487,360 2.679,361 3.907,362 3.256,363 5.685,364 3.464,365 2.468,366 3.417,367 0.8,368 7.311,369 2.45,370 3.549,371 2.805,372 5.646,373 3.212,374 2.245,375 2.866,376 0.293,377 7.258,378 2.168,379 3.535,380 2.46,381 5.491,382 3.16,383 2.179,384 2.812,386 6.426,387 2.131,388 3.441,389 2.432,390 5.045,391 3.066,392 2.026,393 2.65,395 6.037,396 2.093,397 3.15,398 2.266,399 4.539,400 2.667,401 1.674,402 2.37,404 4.381,405 1.66,406 2.855,407 1.959,408 3.91,409 2.552,410 1.546,411 1.958,413 3.388,414 1.551,415 2.748,416 1.629,417 3.763,418 2.357,419 1.367,420 1.796,422 3.052,423 1.351,424 2.602,425 1.592,426 3.618,427 2.16,428 1.168,429 1.591,431 2.765,432 1.156,433 2.529,434 1.35,435 3.618,436 2,437 1,438 1.5,440 2.323,441 1,442 2.5,443 1.261,444 3.444,445 2,446 1,447 1.496,449 2.275,450 1,451 2.48,452 1.15,453 3.414,454 1.942,455 0.914,456 1.387,458 2.21,459 0.934,460 2.144,461 1.118,462 3.407,463 1.776,464 0.751,465 0.947,467 1.811,468 0.762,469 15.867,470 0.467,471 0.895,472 0.026,473 47.5,474 1.397,475 26,476 0.765,477 21.5,478 0.632,479 26.877,480 0.79,481 35.733,482 0.627,483 40.81,484 1.2,485 9.471,486 0.279,487 6.892,488 0.203,489 0.137,491 0.359,496 0.436,497 1.189,498 0.679,499 1.007,500 0.482,501 0.92,502 0.474,503 1.097,504 0.769,505 0.993,506 0.452,507 0.95,508 0.771,509 1.176,510 0.836,511 1.106,512 0.661,513 0.998,514 1.293,515 1.037,516 1.107,517 0.994,518 1.211,519 0.999,520 1.246,521 0.878,522 1.139,523 0.968,524 1.266,525 1.019,526 0.887,527 1.016,528 1.153,529 1.065,530 0.931,531 1.155,532 0.581,533 1.112,534 0.996,535 1.135,536 0.629,537 1.16,538 0.848,539 1.027,540 0.904,541 0.991,542 0.8,543 0.963,544 6,545 0.337,546 4.667,547 3.611,548 1.787,549 1.132,550 0.517,551 0.498,552 0.525,553 0.461,554 16788,555 51974,556 2.042,557 40.4,558 3,559 16,564 4,567 1.763,568 1.889,569 3.565,570 -0.758,575 89.857,576 1.576,577 3.23,578 4.122,579 4.819,580 5.118,581 5.188,582 2.878,583 4.418,584 5.063,585 3.762,586 2110.59,587 8.894,588 33130.2,593 332.475,594 1.484,595 5.006,596 0.162,597 0.008,598 0.09,599 0.064,600 0.036,601 0.025,602 0.012,603 0.012,604 0.012,605 0.01,606 0.43,607 0.17,608 0.88,609 0.741,610 182.651,611 0.129,612 -0.058,613 0.054,614 -0.001,615 -0.003,616 -0.002,617 0.193,618 -0.005,619 0.058,620 -0.004,621 0.128,622 -0.006,623 -0.011,624 -0.146,625 0.079,626 -0.121,627 0.04,628 -0.018,629 -0.144,630 -0.042,631 -0.096,632 -0.039,633 -0.06,634 -0.048,635 -0.148,636 0.105,637 -0.143,638 0.005,639 -0.147,640 -0.055,641 0.044,642 -0.044,643 -0.186,644 -0.072,645 0.012,646 -0.164,647 0.087,648 -0.144,649 -0.033,650 -0.13,651 -0.008,652 -0.119,653 -0.027,654 -0.07,655 0.114,656 -0.002,657 -0.015,658 0.072,659 2.533,660 6.293,661 0.618,662 34.228,663 1.014,664 1.117,665 4.466,666 19.947,667 0.683,668 3.638,669 3.97,670 4.263,671 4.5,672 4.691,673 4.673,674 4.745,675 4.779,676 4.771,677 4.812,678 7.588,679 0.665,680 457.52,681 3.638,682 5.187,683 6.047,684 6.929,685 7.807,686 8.693,687 9.577,688 10.466,689 11.354,690 12.245,691 5.3,698 2,702 1,709 12,714 6,716 18,724 1,731 1,738 57,739 23,740 3,741 37,743 60,744 26,745 18,746 6,747 12,748 3,752 4,753 5,759 1,766 2,768 21,769 5,772 5,775 1,778 5,782 3,786 1,789 23,790 7,792 8,797 3,800 1,803 0.75,804 5,822 1,823 3,826 1,855 3,859 1,862 34,869 4,875 2,886 8.8,889 3,892 2,893 18,894 10.683,895 7.5,896 3.503,898 2.491,899 1.326,900 0.977,901 6.854,902 10.126,903 3.951,904 4.527,905 5.077,906 5.581,907 6.069,908 6.143,909 6.409,910 6.491,911 6.612,912 6.741,913 0.875,914 56,915 12.688,917 5.574,918 8.088,919 23.441,921 19.231,924 2.588,925 88,928 1,929 270.735,930 164.19,931 11.919,933 126.182,936 164.19,937 396.917,938 11.919,939 14.495,940 15.529,941 113.715,942 89.549,943 18.256,945 270.735,946 50.747,947 270.735,948 176.109,949 126.182,952 223.651,953 122.519,954 50.747,956 24.354,957 146.085,958 5.67,960 270.735,961 138.1,962 164.19,965 270.735,966 41.65,967 134.459,969 126.182,970 270.735,971 138.1,972 164.19,973 0.585,974 0.353,975 0.188,976 0.102,977 24,978 12,979 0.133,980 8,981 1,982 1.095,983 4.404,984 315.13,985 0.095,986 21,987 156.974,993 23.344,994 9.984,995 4.929,997 132.43,998 19.832,1003 2.597,1006 573.026,1007 51,1010 -0.533,1013 60.693,1017 -0.958,1020 57.778,1021 63.694,1022 0.27,1023 0.554,1024 0.707,1025 0.826,1026 0.877,1027 0.889,1028 5.19,1029 1.674,1030 6.043,1031 6.037,1032 4.654,1033 5.215,1034 2.99,1035 6.878,1036 4.627,1037 6.4,1038 1.546,1039 7.625,1040 4.381,1041 4.29,1042 5.037,1043 2.431,1044 7.856,1045 4.24,1046 7.711,1047 1.367,1048 9.312,1049 3.388,1050 6.271,1051 7.372,1052 4.302,1053 10.983,1054 6.203,1055 9.058,1056 1.168,1057 11.061,1058 3.052,1059 6.746,1060 7.999,1061 4.533,1062 12.81,1063 6.654,1064 10.438,1065 1,1066 12.849,1067 2.765,1068 8.206,1069 9.82,1070 5.986,1071 15.469,1072 8.098,1073 11.841,1074 1,1075 14.664,1076 2.323,1077 9.061,1078 10.816,1079 6.564,1080 17.647,1081 8.931,1082 13.263,1083 0.914,1084 16.499,1085 2.275,1086 10.326,1087 12.424,1088 7.803,1089 20.154,1090 10.18,1091 3.301,1092 0.751,1093 18.349,1094 2.21,1095 11.353,1096 13.604,1097 8.55,1098 22.481,1099 11.19,1100 3.092,1101 11.689,1102 20.211,1103 1.811,1104 12.548,1105 15.11,1106 9.672,1107 24.938,1108 12.37,1109 2.766,1110 10.477,1111 22.082,1112 4.146,1113 13.653,1114 16.389,1115 10.509,1116 27.329,1117 13.46,1118 2.468,1119 8.487,1120 23.962,1121 4.03,1122 14.826,1123 17.844,1124 11.564,1125 29.771,1126 14.619,1127 2.245,1128 7.311,1129 25.849,1130 3.725,1131 15.966,1132 19.177,1133 12.452,1134 32.19,1135 15.746,1136 2.179,1137 7.258,1138 27.742,1139 3.417,1140 17.134,1141 20.607,1142 13.468,1143 34.631,1144 16.902,1145 2.026,1146 6.426,1147 29.64,1148 2.866,1149 18.292,1150 21.97,1151 14.386,1152 37.063,1153 18.047,1154 16041,1155 28421,1156 24.274,1157 38.904,1158 56.546,1159 59.984,1160 58.426,1161 55.698,1162 55.651,1163 74.216,1164 12.508,1165 161.355,1166 55.078,1167 5.559,1168 5.952,1169 6.643,1170 5.327,1171 5.301,1172 7.146,1173 4.612,1174 18.864,1175 5.262,1176 19.253,1177 1.528,1178 1.621,1179 1.579,1180 1.505,1181 1.504,1182 2.006,1183 0.338,1184 4.361,1185 1.489,1186 4.048,1187 4.074,1188 4.008,1189 3.945,1190 7.815,1191 3.953,1192 3.996,1193 4.016,1194 3.963,1195 3.897,1196 7.447,1197 3.905,1198 3.911,1199 3.942,1200 3.854,1201 3.826,1202 7.427,1203 3.825,1204 3.677,1205 3.737,1206 3.568,1207 3.535,1208 7.408,1209 3.526,1210 3.539,1211 3.566,1212 3.484,1213 3.266,1214 6.999,1215 3.301,1216 3.416,1217 3.459,1218 3.333,1219 3.131,1220 4.753,1221 3.18,1222 3.259,1223 3.308,1224 3.155,1225 3.023,1226 4.686,1227 3.061,1228 3.074,1229 3.141,1230 2.973,1231 2.892,1232 4.653,1233 2.894,1234 0.124,1235 0.107,1236 0.188,1237 0.116,1238 0.089,1239 4.585,1240 0.112,1241 3.952,1242 0.071,1243 6.964,1244 0.316,1245 4.291,1246 0.088,1247 3.301,1248 4.146,1249 2.612,1250 11.689,1251 3.262,1252 1.955,1253 1.929,1254 2.061,1255 2.098,1256 1.308,1257 2.073,1258 1.892,1259 1.868,1260 2,1261 2.013,1262 1.14,1263 2.007,1264 1.887,1265 1.865,1266 1.986,1267 1.959,1268 1.085,1269 1.968,1270 1.702,1271 1.641,1272 1.937,1273 1.89,1274 1.085,1275 1.905,1276 1.416,1277 1.371,1278 1.61,1279 1.716,1280 0.84,1281 1.657,1282 1.248,1283 1.221,1284 1.493,1285 1.616,1286 0.6,1287 1.547,1288 1.182,1289 1.129,1290 1.302,1291 1.441,1292 0.362,1293 1.451,1294 1.048,1295 0.994,1296 1.26,1297 1.294,1298 0.255,1299 1.301,1300 4.317,1302 5.645,1303 2.398,1304 7.169,1305 4.949,1306 8.779,1307 7.195,1308 10.435,1310 1.943,1315 1.616,1321 2.81,1326 37.906,1327 89.857,1328 184.117,1329 234.926,1330 274.7,1331 291.72,1332 295.72,1333 94.226,1334 7.635,1335 105.2,1336 105.2,1337 23,1338 12.774,1339 4.585,1340 3.907,1341 56.741,1342 150,1343 137,1344 0.173,1345 232.906,1346 418.85,1347 560.05,1348 21915,1350 24.242,1351 0.713,1352 0.548,1353 24.242,1354 18.64,1355 16.363,1356 0.442,1357 0.296,1358 10.812,1359 15.736,1360 10.573,1361 8.774,1362 16.363,1363 10.948,1364 14.752,1365 0.284,1366 0.156,1367 14.752,1368 8.114,1369 12.684,1370 0.181,1371 0.083,1372 12.684,1373 5.786,1374 10.235,1375 0.115,1376 0.045,1377 10.235,1378 3.963,1379 8.205,1380 0.076,1381 0.025,1382 8.205,1383 2.737,1384 0.274,1385 102.884,1386 0.203,1387 31.475,1388 0.47,1389 178,1390 593.613,1391 196.315,1392 568.872,1393 755.72,1394 524,1395 211,1396 548.316,1397 230.124,1398 549.025,1399 801.6,1400 515,1401 4.479}
{0 CHEMBL1371117,1 1.79,2 11.813,3 4.736,4 22.429,5 122.157,6 8.951,7 0.722,8 4.054,9 4.155,10 3.814,11 3.652,12 5.266,13 3.642,14 4.537,15 4.662,16 4.188,17 4.025,18 5.743,19 4,20 4.727,21 4.901,22 4.209,23 4.072,24 5.888,25 4.021,26 4.725,27 4.914,28 4.17,29 4.066,30 5.859,31 4.01,32 4.742,33 4.937,34 4.242,35 4.102,36 5.933,37 4.026,38 4.67,39 4.821,40 4.267,41 4.088,42 5.919,43 4.034,44 4.718,45 4.894,46 4.182,47 4.09,48 5.95,49 4.006,50 4.715,51 4.918,52 3.964,53 3.978,54 5.874,55 3.901,56 0.123,57 0.838,58 7.335,59 4.291,60 9.564,61 4.513,62 0.299,63 1.35,64 16.367,65 7.335,66 19.55,67 7.81,68 0.549,69 1.562,70 23.308,71 9.097,72 52.385,73 9.656,74 0.493,75 1.582,76 22.679,77 8.855,78 46.831,79 9.52,80 0.665,81 1.595,82 27.661,83 9.715,84 48.096,85 10.694,86 0.458,87 1.505,88 23.358,89 8.899,90 40.112,91 8.651,92 0.502,93 1.647,94 25.313,95 10.003,96 49.016,97 10.464,98 0.479,99 1.464,100 26.254,101 9.917,102 44.264,103 11.338,104 5,105 50,106 0.294,107 0.637,108 0.785,109 0.881,110 0.888,111 0.888,112 3.503,113 0.906,114 -5.06,115 -4.96,116 -4.65,120 46,126 2,143 10,144 2,145 2,152 2,153 2,159 1,162 1,163 1,167 1,174 8,176 2,177 8,180 1,182 3,185 7,189 7,192 1,194 4,197 6,201 7,204 2,206 2,209 6,213 3,214 10,217 3,222 7,226 1,227 6,230 1,232 3,235 6,240 4,245 5,247 9,251 2,252 5,257 3,260 7,263 1,264 4,267 1,268 1,269 1,271 2,274 2082,275 22.137,276 22.137,277 22.137,278 22.137,279 22.137,280 18.932,281 15.491,282 13.181,283 22.625,284 17.796,285 17.796,286 17.796,287 17.796,288 17.796,289 12.994,290 14.009,291 6.285,292 18.636,293 3.854,294 1.765,295 0.864,296 0.28,297 0.24,298 0.24,299 4.212,306 1,307 1,308 840,309 3.391,312 263.5,313 185.685,316 133.88,320 1.711,321 32.813,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 70,333 378,334 4.687,335 4.487,336 6.99,337 4.246,338 3.3,339 4.579,340 3.359,341 11.923,342 3.148,343 4.389,344 3.606,345 6.5,346 3.907,347 2.956,348 4.161,349 1.74,350 10.143,351 2.794,352 3.933,353 3.227,354 5.595,355 3.566,356 2.576,357 3.483,358 0.558,359 7.173,360 2.548,361 3.894,362 2.976,363 5.377,364 3.422,365 2.473,366 3.479,368 7.057,369 2.34,370 3.641,371 2.832,372 5.306,373 3.297,374 2.314,375 2.888,377 6.628,378 2.266,379 3.489,380 2.734,381 5.004,382 3.067,383 2.113,384 2.792,386 5.97,387 1.998,388 3.309,389 2.403,390 4.899,391 2.863,392 1.949,393 2.588,395 5.571,396 1.76,397 3.046,398 2.222,399 4.594,400 2.519,401 1.547,402 2.319,404 4.29,405 1.502,406 2.892,407 1.567,408 4.085,409 2.398,410 1.452,411 2.054,413 3.491,414 1.36,415 2.661,416 1.542,417 3.76,418 2.277,419 1.288,420 1.713,422 2.787,423 1.272,424 2.533,425 1.54,426 3.565,427 2.017,428 1.06,429 1.547,431 2.596,432 1.005,433 2.5,434 1.108,435 3.517,436 2,437 1,438 1.5,440 2.338,441 1,442 2.364,443 1,444 3.414,445 1.846,446 0.895,447 1.301,449 2.275,450 0.847,451 2.118,452 0.993,453 3.202,454 1.618,455 0.705,456 0.927,458 1.661,459 0.618,460 2.008,461 0.915,462 3.069,463 1.593,464 0.618,465 0.849,467 1.372,468 0.614,469 15.286,470 0.478,471 0.657,472 0.021,473 45.25,474 1.414,475 24,476 0.75,477 21.25,478 0.664,479 24.219,480 0.757,481 32.714,482 0.654,483 34.918,484 1.091,485 9.162,486 0.286,487 6.524,488 0.204,489 0.04,491 0.321,494 1,496 0.698,497 1.014,498 0.658,499 0.867,500 0.534,501 0.799,502 0.745,503 1.132,504 0.95,505 1.156,506 0.597,507 0.993,508 1.128,509 1.101,510 0.964,511 0.985,512 1.107,513 0.968,514 1.01,515 1.017,516 1.026,517 0.924,518 0.927,519 0.951,520 0.581,521 0.749,522 1.168,523 0.968,524 0.522,525 0.861,526 0.998,527 1.028,528 1.261,529 1.17,530 0.949,531 0.984,532 0.857,533 1.04,534 1.232,535 1.222,536 0.956,537 1.126,538 0.86,539 1.033,540 1.136,541 1.155,542 0.963,543 1.099,544 5,545 0.149,546 3.556,547 1.792,548 1.589,549 0.847,550 0.809,551 0.472,552 0.29,553 0.333,554 14903,555 45559,556 2.174,557 36,559 14,560 2,562 2,567 1.749,568 2.087,569 3.503,570 0.239,575 89.483,576 1.79,577 3.879,578 4.779,579 5.364,580 5.404,581 5.404,582 2.939,583 4.601,584 4.965,585 3.709,586 1839.85,587 8.714,588 26919,590 1,593 282.193,594 1.198,595 4.954,596 0.139,597 0.005,598 0.071,599 0.038,600 0.034,601 0.017,602 0.017,603 0.011,604 0.007,605 0.009,606 0.348,607 0.17,608 0.88,609 0.406,610 167.648,611 -0.036,612 -0.037,613 0.05,614 0.019,615 -0.033,616 0.027,617 0.028,618 -0.152,619 -0.047,620 -0.178,621 0.01,622 -0.115,623 -0.121,624 -0.114,625 0.023,626 0.003,627 -0.12,628 -0.021,629 -0.146,630 -0.028,631 -0.05,632 0.031,633 -0.11,634 -0.021,635 0.171,636 0.18,637 0.028,638 0.116,639 0.118,640 0.111,641 -0.103,642 -0.043,643 -0.089,644 -0.063,645 -0.045,646 -0.064,647 0.013,648 -0.024,649 -0.096,650 -0.127,651 0.02,652 -0.145,653 0.006,654 -0.128,655 -0.099,656 -0.142,657 -0.005,658 -0.077,659 1.998,660 5.555,661 0.781,662 34.813,663 1.019,664 1.122,665 3.831,666 14.68,667 0.717,668 3.611,669 3.932,670 4.234,671 4.533,672 4.718,673 4.852,674 5.037,675 5.193,676 5.242,677 5.347,678 7.143,679 0.696,680 447.53,681 3.611,682 5.153,683 6.014,684 6.897,685 7.779,686 8.672,687 9.566,688 10.466,689 11.368,690 12.273,691 10,698 1,699 2,701 2,708 2,709 12,710 2,711 1,712 1,714 6,715 1,716 26,737 1,738 50,739 27,740 2,741 36,743 54,744 23,745 20,746 4,747 8,752 5,753 6,768 21,769 2,772 1,778 1,782 1,787 1,788 1,789 18,790 6,791 2,792 9,793 1,797 5,803 0.8,804 2,818 1,822 3,823 2,826 1,838 1,855 4,856 1,857 1,861 1,862 32,869 2,871 1,873 1,883 1,885 1,886 4,889 1,891 1,893 15.333,894 8.993,895 7,896 2.805,898 3.936,899 1.495,900 1.043,901 5.906,902 11.884,903 3.932,904 4.567,905 5.199,906 5.836,907 6.294,908 6.696,909 7.189,910 7.659,911 7.95,912 8.347,913 0.875,914 47,915 11.81,917 5.118,918 7.854,919 22.221,921 18.295,924 2.354,925 75.333,928 1,929 188.338,930 183.729,931 70.021,933 34.652,934 14.96,935 32.22,936 151.51,937 222.99,938 84.982,940 21.016,941 115.549,942 65.504,943 46.521,944 46.095,945 197.015,947 188.338,948 221.531,949 49.612,950 32.22,952 203.298,953 34.652,956 42.722,957 145.483,958 33.326,959 32.22,960 203.298,961 104.674,962 183.729,965 188.338,966 68.18,967 117.448,968 34.796,969 82.938,970 188.338,971 119.634,972 183.729,973 0.578,974 0.338,975 0.187,976 0.099,977 25,978 10,979 0.13,980 7,981 1,982 1.08,983 4.402,984 300.845,985 0.08,986 25,987 156,989 1,993 20.706,994 9.128,995 4.42,996 1.971,997 100.949,998 21.004,999 8.733,1000 3.243,1001 5.232,1003 3.056,1004 1.833,1005 34.796,1006 491.701,1007 50,1013 12.329,1017 -0.159,1020 50.938,1021 56.076,1022 0.317,1023 0.687,1024 0.847,1025 0.95,1026 0.957,1027 0.957,1028 5.15,1029 1.547,1030 5.984,1031 5.571,1032 4.615,1033 5.255,1034 3.368,1035 6.799,1036 4.526,1037 6.363,1038 1.452,1039 7.537,1040 4.29,1041 4.111,1042 4.997,1043 1.593,1044 7.73,1045 3.972,1046 7.67,1047 1.288,1048 9.196,1049 3.491,1050 6.201,1051 7.499,1052 5.573,1053 10.874,1054 6.025,1055 9.019,1056 1.06,1057 10.92,1058 2.787,1059 6.594,1060 8.166,1061 3.522,1062 12.732,1063 6.363,1064 10.405,1065 1,1066 12.691,1067 2.596,1068 8.096,1069 10.058,1070 7.946,1071 15.398,1072 7.83,1073 11.817,1074 0.895,1075 14.496,1076 2.338,1077 8.903,1078 11.16,1079 5.911,1080 17.622,1081 8.578,1082 13.249,1083 0.705,1084 16.326,1085 2.275,1086 10.183,1087 12.811,1088 10.351,1089 20.146,1090 9.821,1091 3.3,1092 0.618,1093 18.176,1094 1.661,1095 11.185,1096 14.123,1097 8.482,1098 22.513,1099 10.765,1100 2.956,1101 11.923,1102 20.042,1103 1.372,1104 12.385,1105 15.678,1106 12.763,1107 24.993,1108 11.923,1109 2.576,1110 10.143,1111 21.92,1112 4.579,1113 13.478,1114 17.09,1115 11.075,1116 27.418,1117 12.961,1118 2.473,1119 7.173,1120 23.809,1121 4.161,1122 14.653,1123 18.608,1124 15.176,1125 29.886,1126 14.091,1127 2.314,1128 7.057,1129 25.705,1130 3.483,1131 15.79,1132 20.068,1133 13.65,1134 32.334,1135 15.175,1136 2.113,1137 6.628,1138 27.609,1139 3.479,1140 16.961,1141 21.574,1142 17.59,1143 34.801,1144 16.299,1145 1.949,1146 5.97,1147 29.518,1148 2.888,1149 18.119,1150 23.058,1151 16.206,1152 37.261,1153 17.406,1154 13787,1155 24282,1156 24.849,1157 35.852,1158 54.521,1159 57.223,1160 54.863,1161 54.014,1162 53.949,1163 74.278,1164 11.315,1165 153.985,1166 51.508,1167 5.61,1168 6.487,1169 6.671,1170 5.395,1171 5.3,1172 7.579,1173 6.685,1174 19.532,1175 5.148,1176 10.671,1177 1.514,1178 1.59,1179 1.524,1180 1.5,1181 1.499,1182 2.063,1183 0.314,1184 4.277,1185 1.431,1186 4.158,1187 4.195,1188 4.165,1189 4.061,1190 8.201,1191 4.07,1192 3.956,1193 3.993,1194 3.989,1195 3.856,1196 7.429,1197 3.86,1198 3.906,1199 3.922,1200 3.848,1201 3.743,1202 5.113,1203 3.763,1204 3.692,1205 3.734,1206 3.786,1207 3.571,1208 5.07,1209 3.555,1210 3.544,1211 3.584,1212 3.524,1213 3.359,1214 4.896,1215 3.363,1216 3.358,1217 3.423,1218 3.28,1219 3.179,1220 4.585,1221 3.198,1222 3.059,1223 3.137,1224 3.12,1225 2.908,1226 4.291,1227 2.875,1228 2.924,1229 2.981,1230 2.829,1231 2.8,1232 4.033,1233 2.794,1234 0.13,1235 0.125,1236 0.194,1237 0.118,1238 0.092,1239 4.687,1240 0.127,1241 4.487,1242 0.093,1243 6.99,1244 0.331,1245 4.246,1246 0.087,1247 3.3,1248 4.579,1249 3.359,1250 11.923,1251 3.148,1252 1.945,1253 1.922,1254 2.031,1255 2.032,1256 1.165,1257 2.032,1258 1.888,1259 1.86,1260 1.983,1261 1.992,1262 1.078,1263 1.992,1264 1.625,1265 1.587,1266 1.781,1267 1.844,1268 0.962,1269 1.827,1270 1.559,1271 1.514,1272 1.663,1273 1.741,1274 0.814,1275 1.723,1276 1.452,1277 1.421,1278 1.61,1279 1.588,1280 0.739,1281 1.609,1282 1.337,1283 1.316,1284 1.476,1285 1.568,1286 0.584,1287 1.553,1288 1.172,1289 1.122,1290 1.297,1291 1.427,1292 0.389,1293 1.39,1294 1.056,1295 1,1296 1.181,1297 1.346,1298 0.258,1299 1.288,1300 4.29,1302 5.609,1303 3.434,1304 7.111,1305 5.733,1306 8.7,1307 7.781,1308 10.341,1312 13.555,1315 0.464,1317 2.815,1319 1.258,1326 34.795,1327 89.483,1328 193.954,1329 238.974,1330 268.193,1331 270.193,1332 270.193,1333 52.395,1334 7.948,1335 88.74,1336 114.04,1337 27,1338 12.793,1339 4.807,1340 3.907,1341 45.529,1342 128,1343 155,1344 0.162,1345 213.592,1346 355.64,1347 512.924,1348 31134,1349 2,1350 21.916,1351 0.685,1352 0.55,1353 21.399,1354 17.603,1355 15.687,1356 0.436,1357 0.302,1358 9.814,1359 14.586,1360 9.573,1361 7.891,1362 15.747,1363 10.871,1364 13.959,1365 0.279,1366 0.159,1367 13.888,1368 7.953,1369 12.026,1370 0.177,1371 0.086,1372 12.368,1373 5.85,1374 10.155,1375 0.11,1376 0.045,1377 10.736,1378 4.179,1379 7.925,1380 0.071,1381 0.025,1382 8.446,1383 2.771,1384 0.253,1385 103.329,1386 0.201,1387 29.922,1388 0.448,1389 172,1390 584.044,1391 215.058,1392 558.789,1393 762.38,1394 524,1395 204,1396 553.74,1397 244.732,1398 562.372,1399 824.45,1400 530,1401 4.394}
{0 CHEMBL1371252,1 1.822,2 9.273,3 4.66,4 21.716,5 81.301,6 10.682,7 0.708,8 3.66,9 3.741,10 3.524,11 3.269,12 4.912,13 3.266,14 4.132,15 4.247,16 3.964,17 3.622,18 5.439,19 3.611,20 4.381,21 4.534,22 4.154,23 3.696,24 5.681,25 3.682,26 4.295,27 4.452,28 4.069,29 3.593,30 5.605,31 3.564,32 4.241,33 4.398,34 3.818,35 3.567,36 5.52,37 3.485,38 4.254,39 4.45,40 3.751,41 3.494,42 5.37,43 3.392,44 4.113,45 4.342,46 3.613,47 3.36,48 5.241,49 3.273,50 3.908,51 4.092,52 3.75,53 3.234,54 5.334,55 3.157,56 0.114,57 0.514,58 2.502,59 2.957,60 11.422,61 2.974,62 0.251,63 0.821,64 6.328,65 4.991,66 19.458,67 5.202,68 0.557,69 1.02,70 19.276,71 6.744,72 44.486,73 6.262,74 0.491,75 0.913,76 18.163,77 6.09,78 46.874,79 5.415,80 0.52,81 0.791,82 18.516,83 6.217,84 45.496,85 6.367,86 0.44,87 0.79,88 28.47,89 6.645,90 43.618,91 6.97,92 0.347,93 0.757,94 15.176,95 5.757,96 34.816,97 6.643,98 0.435,99 0.698,100 12.793,101 4.842,102 48.754,103 4.844,104 17,105 34,106 0.333,107 0.664,108 0.787,109 0.893,110 0.904,111 0.904,112 3.147,113 0.926,114 -5.62,115 -5.5,116 -5.13,118 1,120 47.1,121 1,128 1,143 7,144 1,145 3,147 1,148 1,150 1,174 5,176 1,177 5,180 1,182 1,185 6,188 2,189 8,194 1,197 4,201 3,204 1,206 2,209 2,214 5,217 1,219 2,222 5,227 8,235 2,240 1,245 1,247 3,257 3,260 8,271 7,274 596,275 14.585,276 14.585,277 14.585,278 14.585,279 14.585,280 12.469,281 12.532,282 8.493,283 15.06,284 11.827,285 11.827,286 11.827,287 11.827,288 11.827,289 8.71,290 14.254,291 4.038,292 12.729,293 3.265,294 1.45,295 0.777,296 0.199,297 0.14,298 0.14,299 3.824,306 1,307 1,308 438,309 2.739,313 182.05,317 95.113,320 1.364,321 28.581,323 1,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 48.25,333 204,334 4.533,335 3.398,336 6.513,337 4.049,338 3.096,339 4.469,340 1.151,341 10.206,342 2.957,343 4.242,344 3.18,345 6.135,346 3.792,347 2.88,348 3.884,350 8.969,351 2.591,352 3.834,353 2.925,354 5.88,355 3.503,356 2.558,357 3.208,359 8.071,360 2.395,361 3.456,362 2.68,363 5.063,364 3.006,365 2.096,366 2.834,368 5.827,369 1.884,370 3.43,371 2.185,372 4.963,373 2.942,374 2.01,375 2.763,377 5.787,378 1.861,379 2.959,380 2.046,381 4.364,382 2.489,383 1.563,384 2.151,386 4.123,387 1.455,388 2.845,389 1.539,390 4.048,391 2.341,392 1.416,393 1.981,395 3.421,396 1.208,397 2.587,398 1.312,399 3.634,400 2.16,401 1.207,402 1.615,404 2.886,405 1.134,406 2.303,407 1.076,408 3.557,409 1.867,410 0.918,411 1.24,413 2.278,414 0.864,415 1.487,416 0.708,417 2.883,418 1.112,419 0.254,420 0.298,422 0.588,423 0.195,424 1.2,425 0.229,426 2.66,427 0.729,428 -0.184,429 -0.245,431 -0.459,432 -0.165,433 0.916,434 0.041,435 2.359,436 0.397,437 -0.514,438 -0.621,440 -1.242,441 -0.294,442 0.798,443 -0.177,444 2.337,445 0.281,446 -0.55,447 -0.738,449 -1.489,450 -0.509,451 0.546,452 -0.524,453 2,454 0.212,455 -0.687,456 -0.82,458 -1.709,459 -0.604,460 0.486,461 -0.733,462 2,463 0.08,464 -0.879,465 -1.18,467 -2.086,468 -0.838,469 11.086,470 0.504,471 0.63,472 0.029,473 31,474 1.409,475 17,476 0.773,477 14,478 0.636,479 16.701,480 0.759,481 22.514,482 0.662,483 20.027,484 0.91,485 5.963,486 0.271,487 4.579,488 0.208,489 0.221,491 0.361,494 1,496 0.748,497 0.977,498 0.472,499 0.769,500 0.73,501 0.77,502 0.758,503 1.029,504 0.564,505 0.851,506 0.582,507 0.848,508 1.177,509 1.005,510 0.905,511 0.905,512 0.973,513 0.861,514 1.143,515 0.991,516 0.986,517 1.021,518 1.019,519 1.019,520 0.717,521 0.851,522 1.099,523 1.101,524 0.677,525 1.19,526 0.907,527 0.868,528 1.308,529 1.217,530 0.794,531 1.197,532 0.892,533 0.852,534 0.591,535 0.699,536 0.837,537 0.79,538 1.115,539 0.789,540 0.986,541 0.87,542 1.455,543 0.897,544 5,545 0.074,546 2.889,547 1.563,548 1.72,549 0.639,550 0.325,551 0.385,552 0.18,553 0.111,554 4872,555 17586,556 2.043,557 35.3,559 8,562 1,564 3,567 1.644,568 1.886,569 3.189,570 -0.265,575 61.954,576 1.822,577 3.637,578 4.311,579 4.889,580 4.948,581 4.948,582 2.652,583 4.096,584 4.434,585 3.306,586 763.642,587 7.612,588 8297.01,590 1,593 172.974,594 1.495,595 4.376,596 0.208,597 0.009,598 0.085,599 0.045,600 0.059,601 0.026,602 0.015,603 0.019,604 0.01,605 0.009,606 0.485,607 0.5,608 0.88,609 0.65,610 100.732,611 -0.079,612 -0.077,613 -0.004,614 -0.003,615 -0.124,616 0.017,617 0.027,618 -0.117,619 0.029,620 -0.038,621 0.06,622 -0.011,623 -0.087,624 -0.02,625 -0.005,626 0.016,627 -0.076,628 0.031,629 -0.129,630 -0.033,631 -0.026,632 -0.101,633 -0.092,634 -0.136,635 0.115,636 -0.082,637 -0.109,638 -0.152,639 0.057,640 -0.242,641 -0.104,642 -0.132,643 -0.114,644 -0.189,645 -0.111,646 -0.16,647 -0.045,648 0.048,649 0.107,650 0.223,651 0.001,652 0.277,653 0.097,654 0.388,655 0.091,656 0.181,657 0.018,658 0.119,659 2.022,660 5.092,661 0.727,662 15.736,663 1.027,664 1.12,665 4.395,666 19.316,667 0.729,668 3.219,669 3.555,670 3.807,671 4.043,672 4.277,673 4.248,674 4.29,675 4.331,676 4.407,677 4.357,678 5.43,679 0.707,680 363.2,681 3.219,682 4.762,683 5.609,684 6.488,685 7.352,686 8.231,687 9.101,688 9.98,689 10.853,690 11.733,691 5.9,701 2,708 2,709 7,710 2,714 5,716 17,734 1,735 1,737 2,738 34,739 17,740 2,741 24,742 1,743 36,744 16,745 14,746 5,747 7,752 3,753 4,759 1,766 1,768 14,769 2,786 1,787 1,789 12,790 5,791 1,792 6,793 1,797 2,803 0.667,804 2,817 1,823 3,827 1,855 2,858 1,859 1,861 1,862 22,868 1,872 1,874 1,885 2,886 5.9,888 1,891 1,893 11.667,894 6.469,895 4.778,896 1.967,898 3.309,899 1.484,900 0.97,901 4.165,902 10.153,903 3.512,904 4.174,905 4.781,906 5.371,907 5.95,908 6.153,909 6.45,910 6.792,911 7.187,912 7.209,913 1,914 35,915 8.116,917 3.497,918 8.011,919 14.999,921 12.093,924 2.511,925 55.25,929 129.482,930 99.624,931 79.525,933 53.683,934 14.96,936 145.578,937 183.165,938 48.531,939 8.825,941 66.334,942 76.254,943 35.464,944 14.96,945 129.482,946 45.954,947 129.482,948 133.195,949 68.643,951 45.954,952 111.457,953 88.997,956 10.969,957 86.326,958 33.571,959 45.954,960 144.442,961 87.254,962 145.578,965 129.482,966 24.465,967 75.159,968 45.954,969 102.214,970 129.482,971 102.214,972 145.578,973 0.59,974 0.345,975 0.183,976 0.102,977 17,978 8,979 0.083,980 3,981 1,982 1.125,983 3.385,984 172.066,985 0.125,986 16,987 98.107,993 15.042,994 6.091,995 3.172,996 1.222,997 102.214,998 11.335,999 8.469,1003 0.891,1005 42.683,1006 377.274,1007 32.5,1020 34.902,1021 38.088,1022 0.358,1023 0.715,1024 0.847,1025 0.961,1026 0.973,1027 0.973,1028 4.738,1029 1.207,1030 5.609,1031 3.421,1032 4.234,1033 4.86,1034 1.294,1035 6.418,1036 4.087,1037 5.972,1038 0.918,1039 7.174,1040 2.886,1041 3.892,1042 4.745,1044 7.298,1045 3.616,1046 7.292,1047 0.254,1048 8.835,1049 2.278,1050 5.832,1051 7.137,1052 1.506,1053 10.383,1054 5.562,1055 8.646,1056 -0.184,1057 10.551,1058 0.588,1059 6.256,1060 7.811,1062 12.047,1063 5.863,1064 10.029,1065 -0.514,1066 12.301,1067 -0.459,1068 7.704,1069 9.703,1070 1.731,1071 14.65,1072 7.313,1073 11.433,1074 -0.55,1075 14.073,1076 -1.242,1077 8.486,1078 10.772,1080 16.653,1081 7.991,1082 12.854,1083 -0.687,1084 15.862,1085 -1.489,1086 9.731,1087 12.441,1088 1.968,1089 19.073,1090 9.223,1091 3.096,1092 -0.879,1093 17.664,1094 -1.709,1095 10.683,1096 13.715,1098 21.232,1099 10.092,1100 2.88,1101 10.206,1102 19.475,1103 -2.086,1104 11.844,1105 15.281,1106 2.214,1107 23.578,1108 11.227,1109 2.558,1110 8.969,1111 21.293,1112 4.469,1113 12.877,1114 16.661,1116 25.812,1117 12.194,1118 2.096,1119 8.071,1120 23.118,1121 3.884,1122 14.004,1123 18.18,1124 2.468,1125 28.131,1126 13.287,1127 2.01,1128 5.827,1129 24.947,1130 3.208,1131 15.076,1132 19.613,1134 30.401,1135 14.304,1136 1.563,1137 5.787,1138 26.781,1139 2.834,1140 16.19,1141 21.112,1142 2.727,1143 32.711,1144 15.381,1145 1.416,1146 4.123,1147 28.618,1148 2.763,1149 17.283,1150 22.573,1152 35.001,1153 16.424,1154 4752,1155 9157,1156 15.72,1157 24.779,1158 36.265,1159 36.89,1160 37.415,1161 36.186,1162 35.995,1163 48.887,1164 2.302,1165 104.309,1166 33.088,1167 5.366,1168 5.398,1169 6.195,1170 5.122,1171 5.096,1172 7.469,1173 2.302,1174 17.096,1175 4.957,1176 11.379,1177 1.511,1178 1.537,1179 1.559,1180 1.508,1181 1.5,1182 2.037,1183 0.096,1184 4.346,1185 1.379,1186 4.062,1187 4.09,1188 6.88,1189 3.968,1190 8.201,1191 3.978,1192 3.9,1193 3.914,1194 4.029,1195 3.844,1196 6.476,1197 3.833,1198 3.565,1199 3.613,1200 3.771,1201 3.415,1202 4.99,1203 3.422,1204 3.256,1205 3.307,1206 3.472,1207 3.068,1208 4.77,1209 3.078,1210 2.984,1211 3.04,1212 3.154,1213 2.887,1214 4.455,1215 2.832,1216 2.913,1217 2.945,1218 2.9,1219 2.826,1220 4.155,1221 2.805,1222 2.868,1223 2.914,1224 2.795,1225 2.711,1226 3.868,1227 2.721,1228 2.588,1229 2.657,1230 2.515,1231 2.404,1232 3.767,1233 2.397,1234 0.189,1235 0.142,1236 0.271,1237 0.169,1238 0.129,1239 4.533,1240 0.186,1241 3.398,1242 0.048,1243 6.513,1244 0.425,1245 4.049,1246 0.123,1247 3.096,1248 4.469,1249 1.151,1250 10.206,1251 2.957,1252 2.005,1253 1.981,1254 2.077,1255 2.118,1256 1.173,1257 2.104,1258 1.858,1259 1.845,1260 1.918,1261 1.951,1262 1.046,1263 1.95,1264 1.538,1265 1.488,1266 1.764,1267 1.718,1268 0.928,1269 1.734,1270 1.201,1271 1.151,1272 1.388,1273 1.436,1274 0.385,1275 1.428,1276 0.955,1277 0.898,1278 1.185,1279 1.161,1280 0.23,1281 1.164,1282 0.873,1283 0.831,1284 1.098,1285 1.065,1286 0.184,1287 1.069,1288 0.803,1289 0.777,1290 0.959,1291 0.983,1292 0.088,1293 1.002,1294 0.566,1295 0.496,1296 0.788,1297 0.859,1299 0.839,1300 3.892,1302 5.22,1304 6.749,1306 8.369,1308 10.036,1309 3.247,1310 1.763,1312 13.092,1314 9.992,1318 5.74,1320 -0.503,1326 24.042,1327 61.954,1328 123.671,1329 146.567,1330 166.219,1331 168.219,1332 168.219,1333 39.521,1334 6.844,1335 55.24,1336 55.24,1337 18,1338 12.27,1339 4.17,1340 3.248,1341 34.511,1342 72,1343 70,1344 0.239,1345 153.342,1346 259.39,1347 365.914,1348 7882,1349 5.9,1350 15.69,1351 0.713,1352 0.6,1353 15.82,1354 13.211,1355 10.542,1356 0.439,1357 0.309,1358 6.565,1359 9.576,1360 6.378,1361 5.252,1362 10.725,1363 7.41,1364 9.786,1365 0.288,1366 0.165,1367 9.894,1368 5.612,1369 8.067,1370 0.183,1371 0.086,1372 8.507,1373 3.781,1374 6.628,1375 0.118,1376 0.045,1377 6.8,1378 2.517,1379 5.422,1380 0.076,1381 0.024,1382 5.694,1383 1.67,1384 0.37,1385 74.698,1386 0.252,1387 21.574,1388 0.667,1389 116,1390 429.941,1391 196.286,1392 424.293,1393 560.11,1394 394,1395 136,1396 383.094,1397 185.624,1398 390.917,1399 575.3,1400 369,1401 4.129}
{0 CHEMBL1371445,1 1.541,2 6.412,3 1.927,4 3.715,5 66.712,6 7.576,7 0.579,8 3.521,9 3.647,10 3.111,11 3.085,12 4.644,13 3.071,14 4.042,15 4.209,16 3.485,17 3.481,18 5.12,19 3.445,20 4.26,21 4.484,22 3.459,23 3.514,24 5.347,25 3.452,26 4.161,27 4.362,28 3.376,29 3.361,30 5.476,31 3.321,32 4.022,33 4.199,34 3.22,35 3.248,36 5.302,37 3.216,38 4.055,39 4.294,40 2.944,41 3.221,42 5.118,43 3.11,44 3.891,45 4.175,46 2.486,47 3.03,48 4.676,49 2.829,50 3.593,51 3.935,52 1.573,53 2.537,54 4.146,55 2.225,56 0.022,57 0.466,58 5.887,59 2.513,60 6.463,61 3.328,62 0.089,63 0.754,64 10.878,65 4.428,66 10.709,67 5.992,68 0.201,69 0.853,70 15.308,71 5.261,72 20.14,73 7.427,74 0.234,75 0.737,76 13.894,77 4.578,78 42.271,79 6.19,80 0.187,81 0.65,82 11.878,83 3.751,84 39.09,85 4.745,86 0.206,87 0.657,88 13.105,89 4.181,90 37.359,91 5.808,92 0.094,93 0.541,94 11.31,95 4.176,96 17.303,97 6.19,98 0.078,99 0.35,100 9.274,101 3.357,102 14.429,103 5.127,104 5,105 27,106 0.293,107 0.674,108 0.765,109 0.813,110 0.83,111 0.83,112 2.91,113 0.903,114 -4.38,115 -4.32,116 -4.07,120 43.3,122 2,126 1,143 5,144 1,148 1,153 1,158 1,162 1,164 1,165 1,166 1,174 7,176 1,177 4,179 1,180 1,185 6,188 1,189 4,191 1,192 1,197 3,200 1,201 5,203 1,204 1,206 2,211 2,214 7,219 3,222 2,224 3,227 3,232 2,235 4,237 2,240 1,245 1,247 4,249 1,260 2,274 294,275 11.621,276 11.621,277 11.621,278 11.621,279 11.621,280 10.166,281 11.003,282 6.855,283 11.773,284 9.373,285 9.373,286 9.373,287 9.373,288 9.373,289 7.117,290 13.981,291 3.233,292 9.635,293 3.366,294 1.358,295 0.879,296 0.625,297 0.533,298 0.533,299 3.582,306 1,307 1,308 239,309 2.345,312 67.344,313 49.063,315 55.458,320 0.976,321 16.884,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 36.5,333 109,334 4.63,335 3.665,336 6.948,337 4.24,338 3.28,339 4.339,341 11.682,342 3.164,343 4.057,344 3.107,345 6.049,346 3.681,347 2.69,348 3.603,350 8.584,351 2.644,352 3.462,353 2.276,354 5.399,355 3.107,356 2.137,357 2.758,359 6.46,360 2.074,361 3.17,362 2.146,363 4.772,364 2.736,365 1.768,366 2.382,368 4.952,369 1.708,370 2.836,371 1.76,372 4.147,373 2.422,374 1.458,375 1.957,377 3.508,378 1.398,379 2.5,380 1.323,381 3.506,382 2.022,383 1.05,384 1.5,386 2.393,387 1.018,388 2.417,389 1.073,390 3.429,391 2,392 1,393 1.273,395 2.247,396 1,397 2.152,398 1,399 3.247,400 1.931,401 0.911,402 1.121,404 2.136,405 0.922,406 1.387,407 0.577,408 3.02,409 1.107,410 0.116,411 0.144,413 0.307,414 0.114,415 0.753,416 -0.241,417 2.399,418 0.376,419 -0.558,420 -0.644,422 -1.354,423 -0.518,424 0.663,425 -0.515,426 2.138,427 0.279,428 -0.756,429 -1.107,431 -1.617,432 -0.776,433 0.5,434 -1,435 1.709,437 -1,438 -1.5,440 -2.347,441 -1,442 0.013,443 -1.102,444 1.555,445 -0.31,446 -1.293,447 -1.5,449 -3.191,450 -1.254,451 -0.171,452 -1.238,453 1.508,454 -0.527,455 -1.529,456 -1.746,458 -4.377,459 -1.447,460 -0.321,461 -1.409,462 1.357,463 -0.605,464 -1.563,465 -2.038,467 -4.623,468 -1.575,469 8.033,470 0.473,471 0.401,472 0.024,473 23.25,474 1.368,475 12,476 0.706,477 11.25,478 0.662,479 10.581,480 0.622,481 17.767,482 0.592,483 14.364,484 0.845,485 4.518,486 0.266,487 3.753,488 0.221,489 0.091,491 0.361,496 0.782,497 1.235,498 0.766,499 0.972,500 0.675,501 0.873,502 0.652,503 1.135,504 0.798,505 1.046,506 0.528,507 0.959,508 0.89,509 0.956,510 0.9,511 0.941,512 0.798,513 0.916,514 1.355,515 1.078,516 1.021,517 1.05,518 1.449,519 1,520 2.132,521 1.158,522 1.306,523 1.043,524 2.415,525 1.065,526 1.503,527 0.939,528 1.29,529 0.939,530 1.543,531 1.062,532 0.476,533 0.974,534 1.112,535 1.154,536 0.36,537 1.209,538 0.262,539 0.79,540 0.949,541 1.049,542 0.247,543 1.095,544 2.5,546 2,547 1.632,548 0.871,549 0.514,550 0.142,551 0.075,552 0.01,554 2263,555 5645,556 2.127,557 43.3,559 7,562 2,563 2,564 2,567 1.574,568 2,569 2.73,570 0.411,572 1,573 1,574 1,575 46.24,576 1.541,577 3.549,578 4.028,579 4.282,580 4.374,581 4.374,582 2.145,583 3.617,584 4.063,585 2.798,586 380.585,587 6.891,588 3356.02,590 1,592 1,593 147.207,594 1.379,595 4.023,596 0.132,598 0.074,599 0.065,600 0.04,601 0.027,602 0.01,603 0.009,604 0.005,606 0.362,607 0.5,608 1,609 0.604,610 68.529,611 -0.082,612 -0.075,613 0.037,614 0.025,615 -0.081,616 0.047,617 0.107,618 -0.044,619 0.064,620 -0.064,621 0.052,622 -0.021,623 0.082,624 0.054,625 0.058,626 0.007,627 0.054,628 0.03,629 0.074,630 -0.089,631 -0.031,632 -0.115,633 0.133,634 -0.09,635 -0.426,636 -0.143,637 -0.322,638 -0.123,639 -0.373,640 -0.197,641 -0.338,642 0.025,643 -0.297,645 -0.29,646 -0.123,647 -0.006,648 -0.088,649 -0.146,650 -0.158,651 -0.006,652 -0.169,653 0.139,654 -0.041,655 0.094,656 -0.027,657 0.08,658 0.018,659 1.705,660 5.347,661 0.824,662 8.346,663 1.002,664 1.126,665 3.153,666 9.944,667 0.676,668 2.996,669 3.332,670 3.664,671 3.97,672 4.06,673 4.06,674 4.127,675 3.951,676 3.912,677 3.761,678 4.025,679 0.647,680 227.29,681 2.996,682 4.533,683 5.407,684 6.304,685 7.198,686 8.103,687 9.004,688 9.913,689 10.818,690 11.728,691 10,695 1,699 1,701 1,709 5,710 1,714 4,715 1,716 11,721 1,728 1,738 30,739 12,740 1,741 19,743 32,744 13,745 9,746 1,747 5,748 1,752 3,753 4,763 2,766 2,768 10,769 3,772 1,778 1,782 1,786 1,789 13,790 3,791 2,792 4,794 1,797 3,803 0.667,804 1,822 2,823 1,825 1,855 2,862 17,863 1,869 3,886 3.3,889 1,893 8.5,894 5.317,895 3.722,896 1.849,898 2.023,899 1.32,900 1.03,901 2.393,902 8.338,903 3.277,904 3.887,905 4.512,906 5.092,907 5.433,908 5.552,909 5.841,910 5.923,911 6.187,912 6.301,913 1,914 25,915 6.294,917 2.744,918 7.784,919 12.02,921 10.109,924 2.284,925 38.833,926 0.002,929 129.482,930 70.288,931 51.582,933 25.145,936 70.288,937 154.627,938 51.582,940 7.175,941 80.278,942 49.392,943 5.085,944 5.085,945 129.482,947 129.482,948 121.869,949 25.145,952 105.94,953 48.687,956 11.402,957 93.682,958 16.786,960 129.482,961 76.727,962 70.288,965 129.482,966 22.906,967 49.28,969 74.828,970 129.482,971 76.727,972 70.288,973 0.583,974 0.359,975 0.208,976 0.101,977 15,978 6,979 0.063,980 2,981 1,982 1.143,983 2.942,984 124.541,985 0.143,986 14,987 65.487,993 10.392,994 3.915,995 1.623,997 74.828,998 9.198,999 4.258,1003 2.493,1004 1.949,1005 32.897,1006 276.497,1007 25.5,1013 12.347,1017 -0.038,1020 30.051,1021 33.78,1022 0.314,1023 0.723,1024 0.821,1025 0.873,1026 0.891,1027 0.891,1028 4.508,1029 0.911,1030 5.398,1031 2.247,1032 4.007,1033 4.57,1035 6.26,1036 3.954,1037 5.721,1038 0.116,1039 6.986,1040 2.136,1041 3.611,1042 4.388,1044 7.273,1045 3.517,1046 7.039,1047 -0.558,1048 8.682,1049 0.307,1050 5.631,1051 6.782,1053 10.445,1054 5.514,1055 8.403,1056 -0.756,1057 10.445,1058 -1.354,1059 6.133,1060 7.491,1062 12.343,1063 5.974,1064 9.805,1065 -1,1066 12.25,1067 -1.617,1068 7.606,1069 9.328,1071 15.027,1072 7.422,1073 11.234,1074 -1.293,1075 14.084,1076 -2.347,1077 8.5,1078 10.435,1080 17.264,1081 8.271,1082 12.684,1083 -1.529,1084 15.939,1085 -3.191,1086 9.776,1087 12.052,1089 19.794,1090 9.518,1091 3.28,1092 -1.563,1093 17.81,1094 -4.377,1095 10.835,1096 13.345,1098 22.163,1099 10.534,1100 2.69,1101 11.682,1102 19.693,1103 -4.623,1104 12.042,1105 14.869,1107 24.643,1108 11.708,1109 2.137,1110 8.584,1111 21.586,1112 4.339,1113 13.171,1114 16.249,1116 27.063,1117 12.796,1118 1.768,1119 6.46,1120 23.486,1121 3.603,1122 14.357,1123 17.735,1125 29.527,1126 13.947,1127 1.458,1128 4.952,1129 25.392,1130 2.758,1131 15.516,1132 19.157,1134 31.969,1135 15.065,1136 1.05,1137 3.508,1138 27.303,1139 2.382,1140 16.697,1141 20.628,1143 34.428,1144 16.21,1145 1,1146 2.393,1147 29.218,1148 1.957,1149 17.869,1150 22.071,1152 36.879,1153 17.343,1154 2215,1155 3581,1156 12.83,1157 20.279,1158 29.064,1159 30.181,1160 29.874,1161 28.872,1162 28.818,1163 38.152,1165 84.538,1166 28.085,1167 5.483,1168 5.665,1169 6.75,1170 5.293,1171 5.28,1172 7.339,1174 19.084,1175 5.164,1176 6.286,1177 1.53,1178 1.588,1179 1.572,1180 1.52,1181 1.517,1182 2.008,1184 4.449,1185 1.478,1186 4.077,1187 4.125,1188 4.039,1189 3.931,1190 7.427,1191 3.949,1192 3.866,1193 3.9,1194 3.796,1195 3.774,1196 5.165,1197 3.777,1198 3.415,1199 3.478,1200 3.295,1201 3.262,1202 4.726,1203 3.264,1204 3.101,1205 3.142,1206 3.023,1207 2.887,1208 4.569,1209 2.91,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.797,1215 2.715,1216 2.781,1217 2.886,1218 2.563,1219 2.577,1220 3.674,1221 2.557,1222 2.714,1223 2.851,1224 2.492,1225 2.335,1226 3.61,1227 2.361,1228 2.482,1229 2.527,1230 2.342,1231 2.21,1232 3.356,1233 2.237,1234 0.244,1235 0.193,1236 0.366,1237 0.223,1238 0.173,1239 4.63,1240 0.228,1241 3.665,1243 6.948,1244 0.615,1245 4.24,1246 0.167,1247 3.28,1248 4.339,1250 11.682,1251 3.164,1252 1.913,1253 1.891,1254 2.023,1255 2.003,1256 1.179,1257 2.008,1258 1.61,1259 1.554,1260 1.842,1261 1.8,1262 1.088,1263 1.81,1264 1.507,1265 1.453,1266 1.636,1267 1.705,1268 0.882,1269 1.694,1270 1.326,1271 1.259,1272 1.484,1273 1.584,1274 0.479,1275 1.568,1276 0.958,1277 0.908,1278 1.181,1279 1.222,1280 0.218,1281 1.203,1282 0.886,1283 0.821,1284 1.177,1285 1.062,1286 0.149,1287 1.107,1288 0.497,1289 0.408,1290 0.852,1291 0.816,1293 0.836,1294 0.264,1295 0.122,1296 0.726,1297 0.655,1299 0.663,1300 3.664,1302 4.99,1303 3.045,1304 6.515,1305 5.416,1306 8.132,1307 7.516,1308 9.804,1313 5.837,1315 2.789,1326 19.413,1327 46.24,1328 106.478,1329 120.842,1330 128.452,1331 131.207,1332 131.207,1333 23.651,1334 6.315,1335 60.91,1336 60.91,1337 16,1338 12.244,1339 3.7,1340 2.907,1341 23.589,1342 40,1343 39,1344 0.299,1345 120.105,1346 200.53,1347 284.817,1348 3704,1350 11.828,1351 0.696,1352 0.552,1353 11.828,1354 9.388,1355 8.271,1356 0.435,1357 0.301,1358 5.654,1359 8.019,1360 5.556,1361 4.58,1362 8.271,1363 5.718,1364 7.402,1365 0.274,1366 0.156,1367 7.402,1368 4.212,1369 6.544,1370 0.172,1371 0.082,1372 6.544,1373 3.107,1374 5.804,1375 0.112,1376 0.044,1377 5.804,1378 2.312,1379 4.119,1380 0.072,1381 0.024,1382 4.119,1383 1.355,1384 0.44,1385 51.437,1386 0.279,1387 16.704,1388 0.91,1389 92,1390 252.338,1391 100.043,1392 248.077,1393 344.56,1394 232,1395 111,1396 260.819,1397 120.097,1398 263.665,1399 390.74,1400 250,1401 4.108}
{0 CHEMBL1371774,1 2.07,2 8.25,3 3.383,4 11.446,5 79.715,6 9.794,7 0.48,8 3.751,9 3.816,10 3.671,11 3.259,12 5.014,13 3.271,14 4.313,15 4.431,16 4.026,17 3.536,18 6.198,19 3.601,20 4.379,21 4.488,22 4.019,23 3.637,24 6.043,25 3.685,26 4.415,27 4.552,28 3.963,29 3.692,30 5.813,31 3.706,32 4.523,33 4.67,34 4.136,35 3.72,36 5.944,37 3.725,38 4.566,39 4.715,40 4.082,41 3.607,42 6.553,43 3.644,44 4.521,45 4.743,46 3.703,47 3.352,48 6.022,49 3.396,50 4.144,51 4.314,52 3.592,53 3.05,54 5.798,55 3.097,56 0.31,57 0.741,58 5.762,59 4.115,60 52.293,61 3.373,62 1.224,63 1.411,64 17.678,65 5.936,66 192.372,67 5.364,68 0.966,69 1.186,70 10.861,71 5.676,72 108.09,73 5.222,74 0.898,75 1.288,76 11.979,77 6.78,78 109.037,79 5.885,80 1.017,81 1.46,82 20.649,83 8.36,84 135.498,85 7.721,86 1.539,87 1.403,88 19.544,89 8.107,90 263.025,91 7.827,92 1.586,93 1.217,94 26.198,95 7.283,96 237.049,97 6.299,98 1.144,99 0.72,100 14.528,101 4.745,102 126.796,103 4.694,104 81,105 38,106 0.375,107 0.653,108 0.742,109 0.791,110 0.801,111 0.811,112 3.229,113 1.001,114 -3.07,115 -3.07,116 -2.95,120 37.8,125 3,133 1,143 4,144 1,145 2,147 2,151 1,174 3,176 2,177 5,185 3,188 5,189 6,197 3,201 4,209 1,213 1,214 7,226 1,227 6,239 1,240 2,251 3,263 2,274 796,275 14.994,276 14.994,277 14.994,278 14.994,279 14.994,280 13.374,281 14.84,282 8.31,283 15.943,284 12.196,285 12.196,286 12.196,287 12.196,288 12.196,289 9.466,290 15.284,291 3.765,292 13.676,293 3.14,294 1.602,295 1.109,296 0.838,297 0.784,298 0.73,299 3.878,305 1,306 1,307 1,308 395,309 4.123,313 163.526,320 1.333,321 56.156,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57.5,333 198,334 4.824,335 5.181,336 7.186,337 4.266,338 3.405,339 4.682,340 3.825,341 11.983,342 2.984,343 4.447,344 4.459,345 7.052,346 4.065,347 3.23,348 4.044,349 2.95,350 11.446,351 2.773,352 4.298,353 3.211,354 6.275,355 3.912,356 2.957,357 3.759,358 0.86,359 9.506,360 2.68,361 3.912,362 2.84,363 5.978,364 3.53,365 2.59,366 3.264,367 0.86,368 8.477,369 2.408,370 3.296,371 2.51,372 4.889,373 2.769,374 1.862,375 2.565,377 5.606,378 1.664,379 2.919,380 2.182,381 4.403,382 2.521,383 1.61,384 2.057,386 4.178,387 1.461,388 2.755,389 1.93,390 4.377,391 2.206,392 1.285,393 1.847,395 3.92,396 1.18,397 2.675,398 1.412,399 4.193,400 2.171,401 1.253,402 1.736,404 3.588,405 1.124,406 1.877,407 0.991,408 3.045,409 1.552,410 0.656,411 0.779,413 1.191,414 0.582,415 1.456,416 0.931,417 2.861,418 1.187,419 0.338,420 0.368,422 0.45,423 0.285,424 1,425 0.674,426 2.821,427 0.547,428 -0.386,429 -0.479,431 -0.758,432 -0.355,433 0.939,434 0.51,435 2.696,436 0.271,437 -0.644,438 -0.859,440 -1.893,441 -0.575,442 0.786,443 0.51,444 2.452,445 0.204,446 -0.715,447 -0.909,449 -2.059,450 -0.645,451 0.648,452 -0.006,453 2.191,454 0.086,455 -0.873,456 -1,458 -2.478,459 -0.7,460 0.567,461 -0.123,462 2,464 -1,465 -1,467 -3,468 -0.7,469 10.824,470 0.451,471 1.029,472 0.043,473 31.75,474 1.323,475 16,476 0.667,477 15.75,478 0.656,479 17.844,480 0.744,481 28.176,482 0.762,483 28.05,484 1.169,485 6.492,486 0.27,487 4.565,488 0.19,489 0.279,490 0.123,491 0.277,493 3,496 0.628,497 1.087,498 0.735,499 1.356,500 0.67,501 1.016,502 0.718,503 0.736,504 0.86,505 0.977,506 0.485,507 0.691,508 0.762,509 0.737,510 0.721,511 0.766,512 0.773,513 0.894,514 0.972,515 1.022,516 0.899,517 0.979,518 0.836,519 1.062,520 0.752,521 0.97,522 0.838,523 1.213,524 0.754,525 1.088,526 0.747,527 1.251,528 0.865,529 1.189,530 0.684,531 1.167,532 1.587,533 1.176,534 1.189,535 0.822,536 1.656,537 0.875,538 0.831,539 0.959,540 0.81,541 0.918,542 1.008,543 0.995,544 8.5,546 3.778,547 1.75,548 1.902,549 1.917,550 0.549,551 0.503,552 0.472,553 0.136,554 4917,555 23815,556 1.861,557 35.1,559 13,567 1.677,568 1.655,569 2.992,570 -0.576,571 1,572 1,575 76.586,576 2.07,577 3.607,578 4.101,579 4.371,580 4.425,581 4.479,582 2.418,583 3.574,584 4.558,585 3.191,586 880.729,587 7.905,588 10166.4,589 1,590 1,591 1,592 1,593 192.75,594 1.855,595 4.433,596 0.34,598 0.099,599 0.045,600 0.053,601 0.052,602 0.015,603 0.021,604 0.024,605 0.009,606 0.658,607 0.33,608 1,609 1.15,610 111.727,611 -0.021,612 -0.131,613 0.157,614 -0.132,615 -0.133,616 -0.04,617 0.213,618 0.25,619 0.118,620 0.09,621 0.383,622 0.248,623 0.027,624 0.107,625 -0.052,626 0.082,627 -0.008,628 -0.046,629 -0.205,630 -0.076,631 -0.142,632 -0.045,633 -0.145,634 -0.13,635 0.04,636 -0.099,637 0.146,638 -0.161,639 -0.031,640 -0.073,641 0.254,642 -0.233,643 0.078,644 -0.222,645 0.42,646 -0.192,647 -0.369,648 -0.015,649 -0.116,650 0.092,651 -0.368,652 0.122,653 0.251,654 -0.046,655 0.173,656 -0.033,657 0.003,658 -0.033,659 6.062,660 4.986,661 0.5,662 18.431,663 1.063,664 1.154,665 1.839,666 3.381,667 0.665,668 3.258,669 3.664,670 3.829,671 4.007,672 4.317,673 4.431,674 4.466,675 4.477,676 4.477,677 4.419,678 5.246,679 0.674,680 362.36,681 3.258,682 4.844,683 5.68,684 6.589,685 7.456,686 8.361,687 9.24,688 10.144,689 11.028,690 11.931,691 5.4,701 2,709 4,710 2,714 6,716 12,735 2,738 37,739 14,740 1,741 25,743 38,744 14,745 10,746 3,747 3,752 2,753 2,759 1,765 1,768 10,769 4,772 2,776 1,778 2,785 1,786 1,787 3,789 13,790 9,792 10,793 1,797 2,803 1,804 4,817 1,823 2,855 2,857 1,859 3,861 3,862 24,865 1,872 2,876 1,885 3,886 10.8,889 2,891 2,893 14.5,894 7.745,895 5.139,896 1.786,898 2.426,899 1.364,900 0.941,901 4.953,902 9.091,903 3.526,904 4.205,905 4.691,906 5.227,907 5.852,908 6.188,909 6.576,910 6.838,911 7.157,912 7.418,913 1,914 39,915 9.837,917 5.158,918 8.715,919 15.577,921 12.338,924 3.215,925 77.167,929 153.024,930 100.546,931 33.571,933 66.313,934 44.88,935 6.046,936 94.5,937 219.337,938 78.451,939 28.956,941 43.951,942 77.884,943 86.066,944 0.693,945 153.024,946 7.76,947 153.024,948 128.071,949 111.193,950 6.046,952 153.024,953 111.193,956 13.966,957 80.534,958 39.617,960 197.905,961 99.884,962 100.546,964 6.046,965 160.784,966 19.879,967 66.861,969 144.764,970 153.024,971 144.764,972 100.546,973 0.607,974 0.334,975 0.155,976 0.096,977 18,978 10,979 0.105,980 4,982 1,983 3.267,984 194.167,986 12,987 103.284,992 1,993 18.34,994 6.481,995 4.11,997 144.764,998 4.989,999 6.822,1003 -1.577,1006 398.334,1007 33,1011 -4.023,1013 23.164,1020 39.313,1021 42.68,1022 0.397,1023 0.692,1024 0.787,1025 0.839,1026 0.849,1027 0.86,1028 4.812,1029 1.253,1030 5.79,1031 3.92,1032 4.344,1033 4.89,1034 3.719,1035 6.706,1036 4.131,1037 6.115,1038 0.656,1039 7.444,1040 3.588,1041 4.443,1042 5.182,1043 3.903,1044 8.116,1045 4.025,1046 7.511,1047 0.338,1048 9.211,1049 1.191,1050 6.159,1051 7.27,1052 5.939,1053 11.053,1054 5.714,1055 8.944,1056 -0.386,1057 11.041,1058 0.45,1059 6.948,1060 8.262,1061 6.69,1062 13.137,1063 6.281,1064 10.404,1065 -0.644,1066 12.908,1067 -0.758,1068 8.297,1069 9.973,1070 8.407,1071 15.731,1072 7.581,1073 11.882,1074 -0.715,1075 14.799,1076 -1.893,1077 9.334,1078 11.249,1079 9.388,1080 18.046,1081 8.416,1082 13.374,1083 -0.873,1084 16.705,1085 -2.059,1086 10.571,1087 12.832,1088 10.957,1089 20.541,1090 9.57,1091 3.405,1092 -1,1093 18.622,1094 -2.478,1095 11.701,1096 14.235,1097 12.074,1098 22.943,1099 10.522,1100 3.23,1101 11.983,1102 20.548,1103 -3,1104 12.904,1105 15.773,1106 13.555,1107 25.41,1108 11.618,1109 2.957,1110 11.446,1111 22.48,1112 4.682,1113 14.071,1114 17.238,1115 14.758,1116 27.847,1117 12.625,1118 2.59,1119 9.506,1120 24.418,1121 4.044,1122 15.267,1123 18.763,1124 16.184,1125 30.309,1126 13.698,1127 1.862,1128 8.477,1129 26.359,1130 3.759,1131 16.451,1132 20.259,1133 17.441,1134 32.761,1135 14.732,1136 1.61,1137 5.606,1138 28.304,1139 3.264,1140 17.647,1141 21.783,1142 18.834,1143 35.223,1144 15.798,1145 1.285,1146 4.178,1147 30.251,1148 2.565,1149 18.84,1150 23.296,1151 20.124,1152 37.683,1153 16.847,1154 5194,1155 11619,1156 14.909,1157 24.619,1158 38.518,1159 39.837,1160 40.076,1161 38.517,1162 38.371,1163 50.204,1164 16.991,1165 120.689,1166 34.278,1167 5.523,1168 7.181,1169 6.739,1170 5.34,1171 5.405,1172 7.682,1173 6.775,1174 19.29,1175 4.984,1176 17.111,1177 1.541,1178 1.593,1179 1.603,1180 1.541,1181 1.535,1182 2.008,1183 0.68,1184 4.828,1185 1.371,1186 4.079,1187 4.075,1188 4.733,1189 4.037,1190 8.513,1191 3.966,1192 3.896,1193 3.882,1194 3.931,1195 3.844,1196 7.999,1197 3.793,1198 3.663,1199 3.667,1200 3.707,1201 3.511,1202 7.999,1203 3.505,1204 3.306,1205 3.353,1206 3.287,1207 3.022,1208 7.716,1209 3.061,1210 3.247,1211 3.314,1212 3.051,1213 2.951,1214 6.999,1215 2.96,1216 3.125,1217 3.196,1218 3,1219 2.812,1220 4.978,1221 2.843,1222 2.791,1223 2.87,1224 2.626,1225 2.635,1226 4.823,1227 2.619,1228 2.737,1229 2.819,1230 2.53,1231 2.537,1232 4.496,1233 2.527,1234 0.193,1235 0.207,1236 0.287,1237 0.171,1238 0.136,1239 4.824,1240 0.187,1241 5.181,1242 0.153,1243 7.186,1244 0.479,1245 4.266,1246 0.119,1247 3.405,1248 4.682,1249 3.825,1250 11.983,1251 2.984,1252 1.956,1253 1.95,1254 2.004,1255 2.067,1256 1.139,1257 2.069,1258 1.79,1259 1.809,1260 1.75,1261 1.913,1262 1.017,1263 1.932,1264 1.525,1265 1.521,1266 1.587,1267 1.698,1268 0.731,1269 1.71,1270 1.198,1271 1.135,1272 1.576,1273 1.524,1274 0.574,1275 1.539,1276 1.191,1277 1.115,1278 1.539,1279 1.501,1280 0.564,1281 1.508,1282 0.95,1283 0.897,1284 1.109,1285 1.308,1286 0.173,1287 1.223,1288 0.802,1289 0.732,1290 0.965,1291 1.013,1292 0.069,1293 1.052,1294 0.729,1295 0.65,1296 0.847,1297 0.97,1298 0.051,1299 1.002,1300 3.932,1302 5.313,1304 6.876,1306 8.515,1308 10.193,1310 3.511,1312 38.958,1318 10.134,1322 -4.812,1326 24.927,1327 76.586,1328 133.466,1329 151.73,1330 161.73,1331 163.73,1332 165.73,1333 74.286,1334 6.664,1335 78.38,1336 86.76,1337 12,1338 12.454,1339 3.907,1340 3.17,1341 48.019,1342 74,1343 80,1344 0.325,1345 157.011,1346 282.28,1347 374.867,1348 5345,1349 8.1,1350 18.121,1351 0.755,1352 0.571,1353 15.871,1354 13.695,1355 11.057,1356 0.442,1357 0.334,1358 6.397,1359 9.48,1360 6.035,1361 5.014,1362 10.74,1363 8.339,1364 11.503,1365 0.303,1366 0.176,1367 10.932,1368 6.67,1369 8.089,1370 0.18,1371 0.086,1372 7.83,1373 3.853,1374 5.991,1375 0.111,1376 0.045,1377 6.107,1378 2.408,1379 5.227,1380 0.071,1381 0.024,1382 5.34,1383 1.812,1384 0.489,1385 81.584,1386 0.259,1387 22.77,1388 0.954,1389 126,1390 679.426,1391 191.009,1392 577.665,1393 735.28,1394 528,1395 146,1396 477.449,1397 210.072,1398 495.14,1399 734.71,1400 455,1401 5.262}
{0 CHEMBL1371816,1 1.637,2 14.677,3 4.758,4 22.634,5 117.249,6 9.018,7 0.545,8 3.967,9 4.047,10 3.678,11 3.598,12 5.278,13 3.591,14 4.407,15 4.506,16 4.021,17 3.941,18 5.779,19 3.915,20 4.667,21 4.812,22 4.068,23 4.042,24 5.964,25 3.995,26 4.71,27 4.892,28 3.933,29 3.936,30 6.046,31 3.883,32 4.591,33 4.779,34 3.912,35 3.869,36 5.923,37 3.832,38 4.526,39 4.679,40 3.884,41 3.848,42 5.937,43 3.817,44 4.471,45 4.645,46 3.794,47 3.798,48 5.948,49 3.746,50 4.382,51 4.564,52 3.748,53 3.733,54 5.731,55 3.66,56 0.107,57 0.58,58 6.228,59 3.964,60 16.746,61 4.201,62 0.303,63 0.887,64 11.189,65 6.455,66 42.933,67 7.103,68 0.353,69 1.154,70 19.877,71 8.833,72 43.514,73 9.781,74 0.575,75 1.216,76 24.53,77 9.384,78 94.326,79 10.459,80 0.479,81 1.096,82 20.279,83 8.291,84 69.452,85 9.753,86 0.501,87 1.019,88 19.247,89 7.293,90 73.982,91 7.511,92 0.483,93 0.988,94 16.148,95 7.041,96 104.136,97 8.213,98 0.386,99 0.874,100 15.705,101 6.975,102 50.852,103 8.724,104 30,105 44,106 0.273,107 0.594,108 0.737,109 0.859,110 0.868,111 0.868,112 3.471,113 0.869,114 -4.83,115 -4.74,116 -4.45,120 50,126 1,136 1,137 1,143 12,144 3,145 3,159 3,168 1,172 1,174 14,175 1,177 6,180 2,182 4,185 17,186 2,189 8,194 5,197 12,198 1,200 1,201 8,204 1,206 3,207 1,209 7,210 1,214 8,217 1,218 1,219 3,222 10,227 9,228 1,232 2,235 14,236 1,239 1,240 3,243 1,245 1,247 14,248 1,251 2,252 2,253 1,255 1,257 1,260 16,261 1,263 1,264 1,267 1,269 1,271 12,272 2,274 1802,275 20.748,276 20.748,277 20.748,278 20.748,279 20.748,280 17.989,281 21.241,282 12.324,283 21.051,284 16.205,285 16.205,286 16.205,287 16.205,288 16.205,289 11.944,290 23.807,291 5.795,292 16.745,293 3.948,294 2.023,295 1.162,296 0.432,297 0.375,298 0.375,299 4.153,303 1,306 1,307 1,308 955,309 4.123,313 372.947,320 2.462,321 39.689,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 67.333,333 455,334 4.292,335 4.099,336 6.09,337 3.889,338 2.894,339 3.826,340 2.035,341 8.863,342 2.875,343 4.176,344 3.581,345 5.958,346 3.77,347 2.77,348 3.755,349 1.437,350 8.385,351 2.763,352 4.029,353 3.494,354 5.504,355 3.616,356 2.653,357 3.615,358 1.151,359 7.397,360 2.552,361 3.957,362 3.035,363 5.394,364 3.523,365 2.548,366 3.434,367 1.058,368 7.093,369 2.485,370 3.633,371 2.888,372 5.239,373 3.23,374 2.265,375 2.933,377 6.579,378 2.183,379 3.482,380 2.597,381 5.069,382 3.073,383 2.128,384 2.749,386 6.083,387 2.005,388 3.369,389 2.555,390 4.874,391 2.939,392 2.004,393 2.643,395 5.647,396 1.763,397 3.264,398 2.345,399 4.037,400 2.42,401 1.427,402 2.041,404 3.373,405 1.406,406 2.823,407 1.846,408 3.716,409 2.188,410 1.177,411 1.778,413 2.791,414 1.179,415 2.542,416 1.793,417 3.436,418 2.005,419 1,420 1.5,422 2.323,423 1,424 2.528,425 1.252,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1.183,435 3.414,436 2,437 1,438 1.475,440 2.275,441 0.994,442 2.5,443 1,444 3.246,445 1.679,446 0.789,447 0.95,449 1.8,450 0.685,451 1.938,452 1,453 2.845,454 1.302,455 0.354,456 0.627,458 0.614,459 0.331,460 1.265,461 0.528,462 2.671,463 0.868,464 -0.051,465 -0.065,467 -0.108,468 -0.042,469 14.848,470 0.479,471 0.732,472 0.024,473 45.25,474 1.46,475 26.5,476 0.855,477 18.75,478 0.605,479 20.541,480 0.663,481 31.352,482 0.653,483 36.318,484 1.172,485 9.341,486 0.301,487 5.599,488 0.181,489 0.142,491 0.303,496 0.74,497 0.968,498 0.596,499 0.83,500 0.638,501 0.776,502 0.671,503 1.074,504 0.726,505 0.984,506 0.476,507 0.974,508 0.983,509 1.218,510 1.048,511 1.188,512 0.761,513 1.153,514 1.161,515 0.998,516 1.02,517 1.02,518 0.996,519 1.043,520 0.92,521 0.919,522 0.649,523 0.812,524 1.002,525 0.819,526 1.208,527 1.02,528 1.086,529 1.01,530 1.415,531 1.021,532 0.732,533 0.981,534 0.757,535 0.912,536 0.999,537 0.984,538 0.5,539 0.966,540 0.729,541 0.956,542 0.633,543 0.99,544 7,545 0.19,546 3.111,547 1.375,548 1.707,549 0.819,550 0.548,551 0.516,552 0.275,553 0.202,554 14515,555 51919,556 2.012,557 35.4,559 15,562 2,567 1.731,568 1.879,569 3.818,570 0.193,575 78.552,576 1.637,577 3.562,578 4.423,579 5.153,580 5.21,581 5.21,582 3.284,583 4.349,584 4.923,585 4.015,586 1866.87,587 8.57,588 28710.1,590 1,593 268.078,594 1.418,595 4.881,596 0.212,597 0.008,598 0.071,599 0.031,600 0.045,601 0.021,602 0.015,603 0.015,604 0.009,605 0.007,606 0.434,607 0.17,608 1,609 0.839,610 165.985,611 -0.075,612 0.035,613 -0.005,614 0.047,615 -0.073,616 0.043,617 0.102,618 -0.097,619 -0.026,620 -0.074,621 0.12,622 -0.107,623 -0.108,624 -0.244,625 -0.145,626 -0.232,627 -0.024,628 -0.208,629 -0.108,630 -0.007,631 -0.085,632 -0.043,633 -0.018,634 -0.045,635 0.018,636 0.082,637 0.158,638 0.153,639 -0.001,640 0.19,641 -0.166,642 0.006,643 -0.185,644 -0.07,645 -0.227,646 -0.098,647 0.118,648 0.045,649 0.007,650 0.027,651 0.091,652 -0.014,653 0.251,655 0.148,656 0.029,657 0.151,658 0.039,659 2.773,660 5.396,661 0.581,662 38.86,663 1.019,664 1.106,665 3.601,666 12.97,667 0.725,668 3.526,669 3.807,670 3.989,671 4.143,672 4.357,673 4.277,674 4.331,675 4.419,676 4.443,677 4.419,678 8.502,679 0.707,680 432.88,681 3.526,682 5.043,683 5.855,684 6.696,685 7.522,686 8.362,687 9.194,688 10.033,689 10.867,690 11.705,691 4.2,698 1,700 1,709 12,714 6,716 18,725 1,735 1,737 1,738 48,739 22,740 3,741 33,743 50,744 24,745 18,746 6,747 12,748 4,752 3,753 3,754 1,767 1,768 22,769 1,772 3,778 2,780 1,782 3,789 17,790 6,791 2,792 7,793 1,797 2,803 1,804 4,823 3,833 1,838 1,845 1,846 1,853 1,855 3,860 1,862 31,868 1,869 1,871 1,872 1,877 1,882 1,884 1,885 1,886 8.3,888 1,889 2,891 1,893 16.5,894 8.626,895 6.972,896 2.615,898 3.744,899 1.513,900 0.954,901 7.45,902 11.047,903 3.871,904 4.413,905 4.933,906 5.402,907 5.925,908 5.979,909 6.266,910 6.601,911 6.887,912 7.024,913 0.9,914 44,915 11.399,917 4.813,918 8.116,919 20.845,921 16.363,924 2.616,925 81.111,928 1,929 176.567,930 174.243,931 49.07,932 39.149,933 103.973,936 174.243,937 319.688,938 49.07,940 22.603,941 123.191,942 115.189,943 66.302,945 176.567,946 39.149,947 176.567,948 223.313,949 103.973,950 39.149,952 176.567,953 103.973,956 53.662,957 160.174,958 48.625,960 176.567,961 153.043,962 213.392,965 176.567,966 34.45,967 123.191,968 34.612,969 174.181,970 176.567,971 153.043,972 213.392,973 0.575,974 0.325,975 0.16,976 0.091,977 18,978 9,979 0.14,980 7,982 1,983 4.34,984 254.012,986 18,987 145.58,993 22.109,994 10.446,995 6.449,997 153.043,998 20.074,1003 3.243,1005 60.694,1006 543.001,1007 47,1013 23.442,1015 1.444,1017 -1.853,1020 48.905,1021 53.1,1022 0.293,1023 0.638,1024 0.792,1025 0.923,1026 0.933,1027 0.933,1028 5.085,1029 1.427,1030 5.82,1031 5.647,1032 4.489,1033 5.1,1034 2.907,1035 6.544,1036 4.431,1037 6.293,1038 1.177,1039 7.332,1040 3.373,1041 4.007,1042 4.771,1044 7.265,1045 3.909,1046 7.582,1047 1,1048 8.935,1049 2.791,1050 6.014,1051 7.228,1052 3.908,1053 10.256,1054 5.916,1055 8.899,1056 1,1057 10.588,1058 2.323,1059 6.293,1060 7.648,1062 11.733,1063 6.172,1064 10.24,1065 1,1066 12.271,1067 2.275,1068 7.77,1069 9.582,1070 5.124,1071 14.222,1072 7.648,1073 11.598,1074 0.789,1075 13.976,1076 2.275,1077 8.404,1078 10.363,1080 16.032,1081 8.27,1082 12.97,1083 0.354,1084 15.694,1085 1.8,1086 9.647,1087 12.047,1088 6.452,1089 18.326,1090 9.51,1091 2.894,1092 -0.051,1093 17.423,1094 0.614,1095 10.465,1096 13.031,1098 20.303,1099 10.321,1100 2.77,1101 8.863,1102 19.161,1103 -0.108,1104 11.596,1105 14.576,1106 7.832,1107 22.514,1108 11.448,1109 2.653,1110 8.385,1111 20.906,1112 3.826,1113 12.513,1114 15.683,1116 24.577,1117 12.361,1118 2.548,1119 7.397,1120 22.657,1121 3.755,1122 13.59,1123 17.144,1124 9.234,1125 26.755,1126 13.434,1127 2.265,1128 7.093,1129 24.412,1130 3.615,1131 14.56,1132 18.328,1134 28.864,1135 14.401,1136 2.128,1137 6.579,1138 26.172,1139 3.434,1140 15.613,1141 19.738,1142 10.646,1143 31.029,1144 15.45,1145 2.004,1146 6.083,1147 27.936,1148 2.933,1149 16.613,1150 20.972,1152 33.163,1153 16.446,1154 14131,1155 26867,1156 21.671,1157 34.779,1158 50.189,1159 52.615,1160 49.812,1161 48.203,1162 48.02,1163 65.65,1164 11.361,1165 130.995,1166 46.44,1167 5.126,1168 6.099,1169 5.637,1170 4.941,1171 4.894,1172 6.826,1173 4.069,1174 15.169,1175 4.875,1176 17.094,1177 1.521,1178 1.594,1179 1.509,1180 1.461,1181 1.455,1182 1.989,1183 0.344,1184 3.97,1185 1.407,1186 3.992,1187 4.013,1188 4.005,1189 3.917,1190 7.475,1191 3.918,1192 3.918,1193 3.94,1194 3.918,1195 3.849,1196 7.43,1197 3.847,1198 3.877,1199 3.899,1200 3.849,1201 3.829,1202 6.818,1203 3.823,1204 3.621,1205 3.639,1206 3.598,1207 3.491,1208 6.351,1209 3.511,1210 3.302,1211 3.305,1212 3.402,1213 3.076,1214 4.959,1215 3.099,1216 3.226,1217 3.252,1218 3.255,1219 3.037,1220 4.836,1221 3.06,1222 3.076,1223 3.126,1224 3.027,1225 2.853,1226 4.712,1227 2.875,1228 2.872,1229 2.925,1230 2.944,1231 2.735,1232 4.429,1233 2.75,1234 0.13,1235 0.124,1236 0.185,1237 0.118,1238 0.088,1239 4.292,1240 0.116,1241 4.099,1242 0.062,1243 6.09,1244 0.269,1245 3.889,1246 0.087,1247 2.894,1248 3.826,1249 2.035,1250 8.863,1251 2.875,1252 1.938,1253 1.918,1254 2.033,1255 2.032,1256 1.145,1257 2.032,1258 1.904,1259 1.882,1260 2.002,1261 1.999,1262 1.1,1263 2.002,1264 1.878,1265 1.856,1266 1.978,1267 1.945,1268 1.079,1269 1.961,1270 1.552,1271 1.534,1272 1.623,1273 1.709,1274 0.642,1275 1.68,1276 1.178,1277 1.151,1278 1.397,1279 1.445,1280 0.564,1281 1.406,1282 1.132,1283 1.118,1284 1.256,1285 1.383,1286 0.25,1287 1.36,1288 0.987,1289 0.934,1290 1.203,1291 1.245,1292 0.226,1293 1.226,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.205,1302 5.493,1304 6.963,1306 8.508,1308 10.089,1311 5.865,1314 9.038,1315 0.383,1317 2.535,1318 5.719,1324 9.356,1325 1.864,1326 33.944,1327 78.552,1328 170.953,1329 212.304,1330 247.323,1331 250.078,1332 250.078,1333 74.525,1334 7.303,1335 99.42,1336 99.42,1337 18,1338 12.272,1339 4.524,1340 3.907,1341 58.627,1342 158,1343 165,1344 0.176,1345 215.729,1346 389.39,1347 518.14,1348 16176,1349 2.1,1350 22.217,1351 0.717,1352 0.547,1353 22.717,1354 16.966,1355 14.94,1356 0.453,1357 0.29,1358 9.111,1359 14.186,1360 8.883,1361 7.381,1362 15.229,1363 9.56,1364 13.244,1365 0.301,1366 0.158,1367 13.652,1368 6.931,1369 10.521,1370 0.199,1371 0.085,1372 10.81,1373 4.494,1374 7.945,1375 0.128,1376 0.045,1377 8.112,1378 2.777,1379 6.533,1380 0.085,1381 0.025,1382 6.769,1383 1.938,1384 0.288,1385 96.217,1386 0.215,1387 30.041,1388 0.452,1389 154,1390 531.538,1391 182.453,1392 546.813,1393 710.95,1394 504,1395 174,1396 474.282,1397 195.393,1398 494.163,1399 707.49,1400 462,1401 4.962}
{0 CHEMBL1371925,1 1.453,2 12.893,3 5.191,4 26.944,5 106.402,6 8.051,7 0.6,8 3.944,9 4.025,10 3.561,11 3.528,12 5.191,13 3.522,14 4.406,15 4.523,16 3.875,17 3.855,18 5.663,19 3.841,20 4.624,21 4.769,22 3.927,23 3.944,24 5.896,25 3.914,26 4.67,27 4.847,28 3.749,29 3.875,30 5.844,31 3.809,32 4.593,33 4.801,34 3.694,35 3.832,36 5.708,37 3.743,38 4.575,39 4.784,40 3.718,41 3.801,42 5.755,43 3.739,44 4.471,45 4.627,46 3.714,47 3.818,48 5.663,49 3.766,50 4.543,51 4.727,52 3.676,53 3.82,54 5.741,55 3.733,56 0.078,57 0.612,58 7.974,59 4.579,60 11.646,61 5.026,62 0.221,63 0.96,64 14.634,65 7.218,66 20.764,67 7.94,68 0.344,69 1.212,70 19.812,71 8.978,72 45.325,73 9.905,74 0.582,75 1.197,76 23.076,77 9.337,78 66.71,79 10.611,80 0.402,81 1.083,82 21.54,83 9.109,84 49.177,85 11.715,86 0.48,87 1.047,88 22.175,89 8.736,90 70.444,91 10.895,92 0.331,93 1.03,94 17.348,95 7.802,96 46.692,97 8.794,98 0.452,99 1.076,100 19.5,101 8.578,102 51.445,103 10.582,104 18,105 40,106 0.246,107 0.549,108 0.706,109 0.821,110 0.858,111 0.858,112 3.374,113 0.862,114 -5,115 -4.9,116 -4.6,120 48.9,125 1,126 1,136 2,143 11,144 3,145 4,158 1,174 12,177 7,182 2,185 14,189 8,194 2,197 13,200 1,201 6,206 1,209 9,214 5,222 10,227 6,230 1,232 1,235 14,240 2,245 1,247 16,251 2,252 2,257 1,260 10,264 4,269 2,271 2,274 1340,275 18.886,276 18.886,277 18.886,278 18.886,279 18.886,280 16.413,281 15.448,282 11.189,283 19.249,284 14.708,285 14.708,286 14.708,287 14.708,288 14.708,289 10.918,290 14.685,291 5.251,292 15.227,293 4.101,294 2.309,295 1.387,296 0.705,297 0.484,298 0.484,299 4.057,306 1,307 1,308 762,309 3.391,313 311.992,320 1.98,321 35.135,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 61.5,333 361,334 4.286,335 3.489,336 6.175,337 3.894,338 2.916,339 3.934,340 1.151,341 9.182,342 2.882,343 4.188,344 3.203,345 6.027,346 3.82,347 2.809,348 3.77,349 0.86,350 8.576,351 2.812,352 4.007,353 2.964,354 5.411,355 3.558,356 2.608,357 3.612,359 7.151,360 2.468,361 3.723,362 2.689,363 5.253,364 3.302,365 2.326,366 3.115,368 6.646,369 2.264,370 3.561,371 2.637,372 5.018,373 3.184,374 2.207,375 2.89,377 6.005,378 2.147,379 3.416,380 2.358,381 4.89,382 3.005,383 2.095,384 2.702,386 5.696,387 1.885,388 2.926,389 2.04,390 4.391,391 2.55,392 1.596,393 2.057,395 4.255,396 1.515,397 2.917,398 1.9,399 4.136,400 2.429,401 1.419,402 2.018,404 3.686,405 1.423,406 2.5,407 1.193,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1.096,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.313,425 1,426 3.249,427 1.73,428 0.792,429 1.016,431 1.742,432 0.732,433 1.98,434 1,435 3.132,436 1.577,437 0.648,438 0.825,440 1.415,441 0.589,442 1.671,443 0.845,444 2.796,445 1.312,446 0.38,447 0.497,449 0.689,450 0.352,451 1.14,452 0.477,453 2.43,454 0.785,455 -0.117,456 -0.139,458 -0.239,459 -0.102,460 1.114,461 0.217,462 2.302,463 0.709,464 -0.244,465 -0.304,467 -0.524,468 -0.228,469 13.119,470 0.469,471 0.626,472 0.022,473 39.25,474 1.402,475 22.5,476 0.804,477 16.75,478 0.598,479 18.491,480 0.66,481 29.481,482 0.627,483 30.705,484 1.097,485 8.373,486 0.299,487 5.173,488 0.185,489 0.111,491 0.305,494 1,496 0.72,497 0.911,498 0.714,499 0.98,500 0.665,501 0.879,502 0.948,503 0.959,504 0.858,505 0.992,506 0.652,507 0.925,508 1.12,509 1.104,510 1.06,511 1.137,512 1.009,513 1.093,514 1.152,515 0.922,516 1.207,517 1.037,518 1.088,519 1.114,520 0.534,521 0.804,522 0.845,523 1.027,524 0.563,525 1.024,526 0.787,527 0.652,528 0.79,529 0.757,530 0.599,531 0.773,532 1.049,533 0.949,534 1.101,535 1.023,536 1.012,537 1.063,538 0.629,539 0.984,540 1.004,541 1.106,542 0.693,543 1.15,544 6,545 0.153,546 3.333,547 1.063,548 1.338,549 0.875,550 0.427,551 0.366,552 0.332,553 0.224,554 10512,555 34189,556 2.034,557 40.4,559 18,562 1,567 1.708,568 1.909,569 3.649,570 -0.394,575 68.313,576 1.453,577 3.246,578 4.168,579 4.85,580 5.07,581 5.07,582 3.111,583 4.182,584 4.777,585 3.797,586 1435.24,587 8.297,588 19961.7,593 261.066,594 1.379,595 4.74,596 0.2,597 0.007,598 0.083,599 0.027,600 0.042,601 0.028,602 0.013,603 0.011,604 0.011,605 0.009,606 0.431,607 0.33,608 1,609 0.744,610 143.515,611 -0.045,612 -0.003,613 0.02,614 0.005,615 -0.088,616 0.025,617 -0.095,618 -0.046,619 -0.024,620 -0.016,621 -0.003,622 -0.006,623 -0.129,624 -0.116,625 -0.15,626 -0.163,627 -0.073,628 -0.161,629 -0.114,630 -0.025,631 -0.229,632 -0.072,633 -0.155,634 -0.156,635 0.13,636 -0.022,637 0.107,638 -0.049,639 0.082,640 0.006,641 0.032,642 0.127,643 0.203,644 0.217,645 0.122,646 0.246,647 -0.151,648 0.008,649 -0.199,650 -0.045,651 -0.154,652 -0.112,653 0.123,654 -0.126,655 -0.078,656 -0.128,657 0.03,658 -0.154,659 1.99,660 5.227,661 0.643,662 30.286,663 1.014,664 1.113,665 3.771,666 14.223,667 0.689,668 3.434,669 3.714,670 3.912,671 4.06,672 4.29,673 4.248,674 4.22,675 4.29,676 4.443,677 4.489,678 7.405,679 0.67,680 378.42,681 3.434,682 4.949,683 5.765,684 6.605,685 7.437,686 8.278,687 9.114,688 9.956,689 10.794,690 11.636,709 11,714 7,716 18,721 1,734 1,735 2,737 1,738 47,739 20,740 3,741 30,743 49,744 23,745 18,746 7,747 11,748 3,752 3,753 3,768 21,769 2,772 2,778 1,780 2,782 1,787 1,789 19,790 5,791 1,792 5,803 1,804 4,823 3,845 2,855 3,859 1,861 1,862 28,868 1,869 1,872 2,885 1,886 8.5,888 1,889 1,891 2,893 14.667,894 8.676,895 6.306,896 2.544,898 3.632,899 1.51,900 0.951,901 6.459,902 10.754,903 3.738,904 4.311,905 4.85,906 5.321,907 5.865,908 5.939,909 6.137,910 6.424,911 6.865,912 7.195,913 0.889,914 40,915 10.322,917 4.324,918 8.03,919 19.122,921 15.026,924 2.53,925 70.833,928 1,929 211.88,930 172.965,933 89.828,934 14.96,936 172.965,937 301.708,938 14.96,939 10.883,940 4.592,941 123.191,942 72.962,943 51.164,944 14.96,945 211.88,947 211.88,948 172.965,949 104.788,952 226.84,953 89.828,956 4.592,957 149.42,958 18.952,960 226.84,961 89.828,962 172.965,965 211.88,966 38.89,967 134.074,969 104.788,970 211.88,971 104.788,972 172.965,973 0.574,974 0.328,975 0.16,976 0.092,977 17,978 8,979 0.143,980 7,982 1,983 4.073,984 223.86,986 18,987 126.606,993 19.652,994 9.202,995 5.449,997 104.788,998 17.359,1003 3.09,1005 42.683,1006 489.633,1007 41,1013 12.227,1015 3.175,1017 -0.167,1020 47.658,1021 52.329,1022 0.262,1023 0.584,1024 0.75,1025 0.873,1026 0.913,1027 0.913,1028 4.938,1029 1.419,1030 5.727,1031 4.255,1032 4.394,1033 4.997,1034 1.635,1035 6.454,1036 4.335,1037 6.137,1038 1,1039 7.241,1040 3.686,1041 3.892,1042 4.677,1044 7.195,1045 3.802,1046 7.423,1047 1,1048 8.846,1049 2.275,1050 5.922,1051 7.149,1052 1.723,1053 10.192,1054 5.824,1055 8.742,1056 0.792,1057 10.504,1058 2.275,1059 6.196,1060 7.593,1062 11.724,1063 6.076,1064 10.086,1065 0.648,1066 12.194,1067 1.742,1068 7.685,1069 9.531,1070 1.865,1071 14.224,1072 7.562,1073 11.449,1074 0.38,1075 13.908,1076 1.415,1077 8.326,1078 10.345,1080 16.102,1081 8.19,1082 12.825,1083 -0.117,1084 15.638,1085 0.689,1086 9.578,1087 12.032,1088 2.048,1089 18.417,1090 9.44,1091 2.916,1092 -0.244,1093 17.381,1094 -0.239,1095 10.41,1096 13.053,1098 20.461,1099 10.263,1100 2.809,1101 9.182,1102 19.134,1103 -0.524,1104 11.55,1105 14.602,1106 2.261,1107 22.703,1108 11.402,1109 2.608,1110 8.576,1111 20.896,1112 3.934,1113 12.483,1114 15.748,1116 24.826,1117 12.329,1118 2.326,1119 7.151,1120 22.664,1121 3.77,1122 13.572,1123 17.216,1124 2.495,1125 27.039,1126 13.415,1127 2.207,1128 6.646,1129 24.439,1130 3.612,1131 14.559,1132 18.439,1134 29.201,1135 14.397,1136 2.095,1137 6.005,1138 26.219,1139 3.115,1140 15.623,1141 19.859,1142 2.743,1143 31.404,1144 15.459,1145 1.596,1146 5.696,1147 28.003,1148 2.89,1149 16.64,1150 21.13,1152 33.585,1153 16.47,1154 10225,1155 18558,1156 19.879,1157 32.37,1158 44.447,1159 45.486,1160 45.278,1161 43.674,1162 43.588,1163 58.873,1164 4.022,1165 119.188,1166 42.138,1167 5.12,1168 5.489,1169 5.718,1170 4.945,1171 4.916,1172 6.934,1173 2.302,1174 15.458,1175 4.882,1176 14.279,1177 1.482,1178 1.516,1179 1.509,1180 1.456,1181 1.453,1182 1.962,1183 0.134,1184 3.973,1185 1.405,1186 4,1187 4.017,1188 3.95,1189 3.93,1190 8.201,1191 3.931,1192 3.906,1193 3.923,1194 3.855,1195 3.83,1196 7.428,1197 3.832,1198 3.867,1199 3.889,1200 3.816,1201 3.795,1202 6.471,1203 3.796,1204 3.5,1205 3.52,1206 3.432,1207 3.374,1208 4.899,1209 3.382,1210 3.241,1211 3.3,1212 3.13,1213 3.027,1214 4.751,1215 3.04,1216 3.214,1217 3.248,1218 3.076,1219 2.959,1220 4.587,1221 2.974,1222 2.95,1223 2.986,1224 2.819,1225 2.779,1226 4.434,1227 2.776,1228 2.854,1229 2.925,1230 2.768,1231 2.735,1232 4.207,1233 2.715,1234 0.143,1235 0.116,1236 0.206,1237 0.13,1238 0.097,1239 4.286,1240 0.131,1241 3.489,1242 0.038,1243 6.175,1244 0.306,1245 3.894,1246 0.096,1247 2.916,1248 3.934,1249 1.151,1250 9.182,1251 2.882,1252 1.953,1253 1.937,1254 2.046,1255 2.042,1256 1.182,1257 2.042,1258 1.887,1259 1.869,1260 1.987,1261 1.986,1262 1.07,1263 1.986,1264 1.849,1265 1.828,1266 1.953,1267 1.944,1268 1.021,1269 1.947,1270 1.46,1271 1.436,1272 1.629,1273 1.626,1274 0.711,1275 1.624,1276 1.182,1277 1.123,1278 1.545,1279 1.491,1280 0.582,1281 1.507,1282 1.156,1283 1.105,1284 1.404,1285 1.387,1286 0.494,1287 1.387,1288 0.908,1289 0.871,1290 1.181,1291 1.127,1292 0.218,1293 1.115,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.111,1302 5.398,1304 6.874,1306 8.43,1308 10.024,1310 1.57,1312 12.991,1314 9.301,1315 0.238,1318 11.049,1326 31.511,1327 68.313,1328 152.542,1329 195.893,1330 227.946,1331 238.311,1332 238.311,1333 60.054,1334 7.122,1335 55.76,1336 55.76,1337 18,1338 12.201,1339 4.392,1340 3.585,1341 49.814,1342 124,1343 124,1344 0.192,1345 194.196,1346 348.87,1347 465.598,1348 12314,1349 2.1,1350 19.933,1351 0.712,1352 0.545,1353 19.062,1354 15.263,1355 13.546,1356 0.452,1357 0.287,1358 8.487,1359 13.006,1360 8.275,1361 6.889,1362 13.152,1363 8.617,1364 11.885,1365 0.297,1366 0.151,1367 11.263,1368 6.058,1369 9.749,1370 0.199,1371 0.083,1372 9.339,1373 4.091,1374 7.234,1375 0.127,1376 0.046,1377 7.092,1378 2.601,1379 6.012,1380 0.084,1381 0.024,1382 5.728,1383 1.711,1384 0.308,1385 85.321,1386 0.224,1387 27.32,1388 0.505,1389 140,1390 513.467,1391 154.46,1392 463.87,1393 611.31,1394 432,1395 159,1396 426,1397 172.209,1398 427.791,1399 614.12,1400 400,1401 4.614}
{0 CHEMBL1371966,1 1.442,2 10.773,3 3.477,4 12.092,5 85.472,6 7.253,7 0.522,8 3.777,9 3.886,10 3.306,11 3.338,12 4.934,13 3.307,14 4.275,15 4.441,16 3.622,17 3.679,18 5.43,19 3.626,20 4.446,21 4.604,22 3.663,23 3.806,24 5.62,25 3.736,26 4.587,27 4.803,28 3.534,29 3.756,30 5.725,31 3.648,32 4.538,33 4.802,34 3.449,35 3.582,36 5.634,37 3.49,38 4.196,39 4.374,40 3.269,41 3.431,42 5.407,43 3.365,44 4.205,45 4.446,46 3.119,47 3.417,48 5.218,49 3.282,50 4.093,51 4.331,52 2.991,53 3.287,54 5.072,55 3.159,56 0.012,57 0.528,58 8.265,59 3.952,60 6.035,61 5.007,62 0.254,63 0.819,64 15.273,65 6.355,66 28.714,67 8.341,68 0.13,69 0.98,70 17.852,71 7.403,72 29.319,73 9.565,74 0.192,75 1.071,76 22.171,77 8.296,78 46.921,79 11.167,80 0.271,81 0.954,82 22.769,83 7.78,84 54.26,85 10.684,86 0.237,87 0.726,88 14.893,89 5.178,90 42.66,91 6.554,92 0.244,93 0.734,94 15.341,95 5.843,96 33.671,97 8.15,98 0.132,99 0.633,100 13.735,101 5.382,102 26.881,103 7.314,104 29,105 31,106 0.256,107 0.577,108 0.722,109 0.798,110 0.818,111 0.844,112 3.145,113 0.918,114 -4.68,115 -4.6,116 -4.33,120 43.9,121 2,122 1,125 1,143 7,144 4,145 1,159 2,174 13,176 1,177 3,180 1,182 3,185 16,189 4,194 4,197 12,201 8,206 3,209 4,214 8,219 3,222 6,227 2,232 1,235 9,240 1,243 2,247 11,260 10,263 2,264 2,271 6,274 640,275 14.455,276 14.455,277 14.455,278 14.455,279 14.455,280 12.656,281 17.332,282 8.474,283 14.644,284 11.239,285 11.239,286 11.239,287 11.239,288 11.239,289 8.485,290 19.403,291 3.962,292 11.393,293 3.915,294 2.1,295 1.285,296 0.854,297 0.738,298 0.592,299 3.803,305 1,306 1,307 1,308 483,309 3.391,313 162.557,320 1.793,321 21.744,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47.5,333 237,334 4.303,335 3.706,336 6.148,337 3.935,338 2.934,339 3.945,340 2.491,341 9.001,342 2.934,343 4.071,344 3.577,345 5.778,346 3.695,347 2.703,348 3.656,349 1.058,350 7.769,351 2.676,352 3.846,353 2.933,354 5.537,355 3.523,356 2.524,357 3.2,358 0.473,359 7.426,360 2.516,361 3.633,362 2.715,363 5.224,364 3.266,365 2.277,366 2.899,368 6.562,369 2.235,370 3.3,371 2.305,372 4.721,373 2.902,374 1.925,375 2.517,377 5.158,378 1.866,379 2.824,380 1.88,381 4.114,382 2.414,383 1.414,384 1.952,386 3.571,387 1.414,388 2.763,389 1.63,390 3.989,391 2.279,392 1.259,393 1.776,395 3.302,396 1.274,397 2.5,398 1.461,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 1.561,407 1,408 2.947,409 1.336,410 0.437,411 0.47,413 0.754,414 0.386,415 1.433,416 0.847,417 2.693,418 1.119,419 0.141,420 0.168,422 0.282,423 0.137,424 1.356,425 0.491,426 2.376,427 1.008,433 0.92,434 0.371,435 2.199,436 0.547,437 -0.485,438 -0.616,440 -1.246,441 -0.491,442 0.746,443 -0.182,444 2,445 0.354,446 -0.661,447 -0.879,449 -1.695,450 -0.67,451 0.5,452 -0.393,453 1.891,454 0.042,455 -1,456 -1.354,458 -2.348,459 -1,460 0.467,461 -0.616,462 1.613,464 -1,465 -1.5,467 -3,468 -1.029,469 10.4,470 0.473,471 0.596,472 0.027,473 28.5,474 1.295,475 15.5,476 0.705,477 13,478 0.591,479 15.551,480 0.707,481 23.8,482 0.58,483 20.662,484 0.939,485 6.004,486 0.273,487 4.486,488 0.204,489 0.208,491 0.337,496 0.681,497 1.172,498 0.809,499 1.088,500 0.569,501 0.985,502 0.667,503 0.943,504 0.78,505 0.877,506 0.537,507 0.856,508 1.011,509 1.276,510 1.127,511 1.215,512 1.003,513 1.192,514 1.018,515 1.216,516 1.122,517 1.2,518 1.143,519 1.177,520 1.103,521 0.813,522 0.76,523 0.75,524 1.132,525 0.706,526 1.652,527 1.009,528 1.33,529 0.981,530 1.731,531 1.072,532 0.617,533 0.865,534 0.989,535 0.944,536 0.816,537 1.014,538 0.834,539 0.973,540 0.96,541 0.996,542 0.921,543 1.004,544 5.5,545 0.083,546 2.667,547 1.188,548 1.356,549 0.556,550 0.384,551 0.295,552 0.193,553 0.136,554 4971,555 14157,556 1.944,557 46.3,558 6,559 10,562 1,563 2,567 1.639,568 1.784,569 3.405,570 -0.354,572 1,574 1,575 59.135,576 1.442,577 3.257,578 4.073,579 4.503,580 4.619,581 4.766,582 2.924,583 4.096,584 4.428,585 3.548,586 819.547,587 7.577,588 9342.45,589 1,590 1,592 1,593 219.66,594 1.529,595 4.365,596 0.239,597 0.008,598 0.086,599 0.038,600 0.054,601 0.023,602 0.019,603 0.017,604 0.013,605 0.01,606 0.508,607 0.5,608 1,609 1.297,610 103.355,611 -0.023,612 -0.041,613 0.027,614 -0.024,615 -0.055,616 0.006,617 0.193,618 0.106,619 0.136,620 0.144,621 0.109,622 0.128,623 -0.126,624 -0.215,625 -0.22,626 -0.206,627 -0.087,628 -0.227,629 -0.084,630 -0.218,631 -0.159,632 -0.234,633 -0.07,634 -0.212,635 -0.025,636 0.106,637 0.276,638 0.194,639 0.028,640 0.271,641 -0.327,642 0.043,643 -0.339,644 -0.035,645 -0.304,646 -0.16,647 0.106,648 0.134,649 -0.039,650 0.03,651 -0.038,652 -0.022,653 -0.041,654 -0.032,656 -0.003,657 -0.065,658 0.002,659 1.952,660 5.201,661 0.545,662 20.099,663 1.001,664 1.119,665 3.453,666 11.923,667 0.664,668 3.178,669 3.466,670 3.638,671 3.761,672 3.97,673 3.892,674 3.912,675 3.912,676 3.892,677 3.85,678 6.263,679 0.632,680 297.38,681 3.178,682 4.691,683 5.501,684 6.344,685 7.172,686 8.016,687 8.851,688 9.695,689 10.534,690 11.379,691 2.4,698 1,709 7,714 5,716 12,723 1,738 41,739 14,740 2,741 23,743 42,744 18,745 12,746 5,747 7,748 1,752 2,753 2,759 2,766 1,768 14,769 4,772 2,778 2,782 2,785 1,786 1,789 19,790 4,791 1,792 4,797 1,803 1,804 3,823 2,841 1,855 2,859 3,862 22,869 1,871 1,872 1,886 7.3,889 2,891 1,893 12.333,894 8.333,895 4.972,896 2.292,898 2.234,899 1.349,900 0.942,901 5.209,902 8.628,903 3.466,904 4.025,905 4.494,906 4.958,907 5.482,908 5.511,909 5.7,910 5.834,911 6.047,912 6.287,913 1,914 31,915 8.11,917 3.301,918 7.917,919 15.233,921 11.799,924 2.417,925 53.167,928 1,929 211.88,930 124.797,931 18.011,933 61.29,936 124.797,937 273.17,938 18.011,939 28.533,940 20.545,941 66.334,942 62.186,943 26.499,945 211.88,947 211.88,948 142.808,949 61.29,952 211.88,953 61.29,956 38.196,957 104.612,960 211.88,961 79.3,962 124.797,965 211.88,966 29.93,967 94.867,968 18.011,969 61.29,970 211.88,971 79.3,972 124.797,973 0.579,974 0.33,975 0.151,976 0.086,977 13,978 7,979 0.119,980 5,982 1,983 3.423,984 156.485,986 12,987 94.107,993 16.091,994 7.122,995 4.352,997 79.3,998 12.761,1003 4.402,1005 18.011,1006 415.977,1007 31,1013 23.398,1017 -0.435,1020 41.036,1021 45.863,1022 0.269,1023 0.608,1024 0.76,1025 0.841,1026 0.862,1027 0.89,1028 4.673,1029 1,1030 5.485,1031 3.302,1032 4.143,1033 4.71,1034 2.654,1035 6.225,1036 4.124,1037 5.879,1038 0.437,1039 7.015,1040 2.275,1041 3.761,1042 4.527,1043 2.243,1044 6.986,1045 3.753,1046 7.175,1047 0.141,1048 8.636,1049 0.754,1050 5.687,1051 6.842,1052 3.982,1053 9.983,1054 5.654,1055 8.501,1057 10.305,1058 0.282,1059 6.043,1060 7.376,1061 4.356,1062 11.474,1063 6.019,1064 9.85,1065 -0.485,1066 12.004,1068 7.47,1069 9.22,1070 5.616,1071 13.994,1072 7.431,1073 11.215,1074 -0.661,1075 13.721,1076 -1.246,1077 8.165,1078 10.094,1079 6.296,1080 15.812,1081 8.134,1082 12.592,1083 -1,1084 15.453,1085 -1.695,1086 9.383,1087 11.726,1088 7.365,1089 18.139,1090 9.342,1091 2.934,1092 -1,1093 17.195,1094 -2.348,1095 10.247,1096 12.788,1097 8.171,1098 20.125,1099 10.212,1100 2.703,1101 9.001,1102 18.945,1103 -3,1104 11.37,1105 14.306,1106 9.158,1107 22.366,1108 11.329,1109 2.524,1110 7.769,1111 20.702,1112 3.945,1113 12.322,1114 15.481,1115 10.02,1116 24.441,1117 12.286,1118 2.277,1119 7.426,1120 22.465,1121 3.656,1122 13.403,1123 16.932,1124 10.968,1125 26.646,1126 13.363,1127 1.925,1128 6.562,1129 24.232,1130 3.2,1131 14.402,1132 18.177,1133 11.856,1134 28.771,1135 14.365,1136 1.414,1137 5.158,1138 26.004,1139 2.899,1140 15.465,1141 19.59,1142 12.786,1143 30.961,1144 15.427,1145 1.259,1146 3.571,1147 27.779,1148 2.517,1149 16.49,1150 20.878,1151 13.687,1152 33.113,1153 16.454,1154 5084,1155 8681,1156 14.622,1157 27.222,1158 33.529,1159 35.486,1160 35.221,1161 33.145,1162 33.23,1163 44.163,1164 8.045,1165 92.202,1166 32.88,1167 5.14,1168 5.706,1169 5.699,1170 4.94,1171 4.934,1172 6.945,1173 4.241,1174 15.36,1175 4.934,1176 13.372,1177 1.458,1178 1.543,1179 1.531,1180 1.441,1181 1.445,1182 1.92,1183 0.35,1184 4.009,1185 1.43,1186 3.997,1187 4.024,1188 3.942,1189 3.928,1190 7.433,1191 3.926,1192 3.902,1193 3.928,1194 3.839,1195 3.845,1196 7.428,1197 3.84,1198 3.546,1199 3.566,1200 3.476,1201 3.314,1202 4.759,1203 3.344,1204 3.375,1205 3.408,1206 3.299,1207 3.176,1208 4.687,1209 3.195,1210 3.151,1211 3.245,1212 2.936,1213 2.991,1214 4.491,1215 2.965,1216 3.115,1217 3.2,1218 2.909,1219 2.894,1220 3.961,1221 2.889,1222 2.958,1223 3.037,1224 2.749,1225 2.735,1226 3.87,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.704,1232 3.796,1233 2.706,1234 0.187,1235 0.161,1236 0.267,1237 0.171,1238 0.128,1239 4.303,1240 0.172,1241 3.706,1242 0.108,1243 6.148,1244 0.391,1245 3.935,1246 0.128,1247 2.934,1248 3.945,1249 2.491,1250 9.001,1251 2.934,1252 1.962,1253 1.938,1254 2.071,1255 2.053,1256 1.204,1257 2.058,1258 1.906,1259 1.88,1260 2.023,1261 1.988,1262 1.165,1263 2.002,1264 1.435,1265 1.407,1266 1.645,1267 1.707,1268 0.728,1269 1.678,1270 1.306,1271 1.268,1272 1.568,1273 1.545,1274 0.631,1275 1.543,1276 1.191,1277 1.104,1278 1.558,1279 1.42,1280 0.613,1281 1.476,1282 1.116,1283 1.031,1284 1.464,1285 1.368,1286 0.559,1287 1.405,1288 0.912,1289 0.839,1290 1.181,1291 1.207,1292 0.218,1293 1.209,1294 0.886,1295 0.821,1296 1.173,1297 1.062,1298 0.17,1299 1.107,1300 3.85,1302 5.142,1304 6.619,1306 8.174,1308 9.768,1310 5.352,1315 0.224,1317 2.844,1318 4.619,1326 25.907,1327 59.135,1328 133.548,1329 166.989,1330 184.64,1331 189.395,1332 195.395,1333 43.721,1334 6.394,1335 55.4,1336 55.4,1337 12,1338 11.942,1339 3.907,1340 3.17,1341 42.561,1342 83,1343 82,1344 0.255,1345 164.01,1346 289.69,1347 391.944,1348 4385,1350 16.113,1351 0.732,1352 0.59,1353 16.113,1354 12.973,1355 10.49,1356 0.456,1357 0.306,1358 6.951,1359 10.133,1360 6.632,1361 5.606,1362 10.49,1363 7.037,1364 9.377,1365 0.302,1366 0.168,1367 9.377,1368 5.203,1369 7.548,1370 0.204,1371 0.096,1372 7.548,1373 3.557,1374 5.263,1375 0.125,1376 0.048,1377 5.263,1378 2.031,1379 4.331,1380 0.083,1381 0.027,1382 4.331,1383 1.399,1384 0.408,1385 65.621,1386 0.262,1387 22.133,1388 0.675,1389 108,1390 343.539,1391 117.471,1392 329.518,1393 435.55,1394 306,1395 122,1396 303.072,1397 129.978,1398 311.7,1399 443.67,1400 289,1401 4.159}
{0 CHEMBL1372179,1 2.038,2 10.28,3 3.594,4 12.915,5 84.416,6 10.667,7 0.462,8 3.703,9 3.754,10 3.631,11 3.272,12 5.103,13 3.288,14 4.209,15 4.279,16 4.021,17 3.604,18 6.185,19 3.623,20 4.394,21 4.5,22 4.072,23 3.667,24 5.909,25 3.693,26 4.453,27 4.568,28 4.072,29 3.554,30 6.181,31 3.625,32 4.365,33 4.482,34 3.96,35 3.422,36 6.178,37 3.511,38 4.314,39 4.411,40 4.054,41 3.303,42 6.438,43 3.389,44 4.036,45 4.112,46 3.67,47 3.109,48 6.204,49 3.199,50 3.855,51 3.998,52 3.29,53 3.057,54 5.391,55 3.114,56 0.374,57 0.697,58 2.925,59 3.696,60 72.773,61 2.746,62 1.101,63 1.412,64 8.461,65 6.303,66 202.651,67 4.727,68 1.031,69 1.159,70 13.222,71 7.211,72 169.066,73 5.393,74 1.358,75 1.217,76 16.791,77 7.495,78 245.726,79 5.131,80 1.286,81 1.054,82 12.045,83 5.99,84 247.385,85 4.161,86 1.438,87 0.963,88 19.386,89 6.814,90 320.288,91 4.427,92 1.148,93 0.697,94 11.158,95 4.578,96 223.141,97 3.211,98 0.761,99 0.749,100 8.355,101 4.001,102 139.131,103 2.989,104 54,105 37,106 0.369,107 0.635,108 0.724,109 0.828,110 0.842,111 0.842,112 3.267,113 0.923,114 -4.99,115 -4.89,116 -4.59,120 42.9,126 1,133 1,143 8,144 1,145 3,159 1,167 2,174 7,176 2,177 3,185 6,189 7,197 3,200 3,201 10,213 2,214 7,226 2,227 7,239 4,240 4,247 2,252 3,260 6,264 6,271 7,274 941,275 15.817,276 15.817,277 15.817,278 15.817,279 15.817,280 13.829,281 15.42,282 9.242,283 16.492,284 12.819,285 12.819,286 12.819,287 12.819,288 12.819,289 9.785,290 15.971,291 4.383,292 13.955,293 3.091,294 1.622,295 1.129,296 0.557,297 0.479,298 0.479,299 3.92,305 1,306 1,307 1,308 523,309 4.359,313 190.939,320 1.571,321 66.338,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 60,333 257,334 4.565,335 4.83,336 7.124,337 4.216,338 3.341,339 4.236,340 3.825,341 11.741,342 2.983,343 4.284,344 4.46,345 6.594,346 3.907,347 3.018,348 3.559,349 3.42,350 10.364,351 2.64,352 3.975,353 3.806,354 5.576,355 3.57,356 2.63,357 3.478,358 2.612,359 7.497,360 2.456,361 3.793,362 3.651,363 5.406,364 3.258,365 2.331,366 3.196,367 2.218,368 6.735,369 2.152,370 3.476,371 2.77,372 4.807,373 2.962,374 1.989,375 2.725,376 0.277,377 5.297,378 1.892,379 3.14,380 2.598,381 4.631,382 2.629,383 1.713,384 2.282,386 4.805,387 1.516,388 2.854,389 2.087,390 4.008,391 2.387,392 1.408,393 1.99,395 3.175,396 1.368,397 2.66,398 1.588,399 3.605,400 2.033,401 1.092,402 1.627,404 2.799,405 1.003,406 2.568,407 1.448,408 3.546,409 2,410 1,411 1.541,413 2.42,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 1.185,425 1,426 2.913,427 0.823,428 -0.087,429 -0.102,431 -0.225,432 -0.077,433 1.035,434 0.899,435 2.699,436 0.589,437 -0.366,438 -0.481,440 -0.945,441 -0.336,442 1,443 0.694,444 2.314,445 0.408,446 -0.603,447 -0.892,449 -1.381,450 -0.587,451 1,452 0.51,453 2.132,454 0.166,455 -0.821,456 -1,458 -2,459 -0.7,460 0.643,461 0.51,462 2,464 -1,465 -1,467 -2.261,468 -0.7,469 11.257,470 0.45,471 0.905,472 0.036,473 34,474 1.36,475 18.5,476 0.74,477 15.5,478 0.62,479 16.49,480 0.66,481 28.343,482 0.81,483 29.782,484 1.191,485 7.075,486 0.283,487 4.606,488 0.184,489 0.195,490 0.044,491 0.332,493 3,496 0.524,497 0.838,498 0.658,499 1.011,500 0.616,501 0.864,502 0.472,503 0.748,504 0.922,505 1.128,506 0.438,507 1.066,508 0.887,509 0.93,510 0.99,511 1.187,512 0.771,513 1.078,514 1.171,515 1.089,516 1.197,517 1.186,518 1.15,519 1.063,520 1.123,521 0.781,522 0.944,523 0.849,524 1.211,525 0.917,526 0.882,527 0.888,528 1.104,529 1.165,530 1,531 0.917,532 0.809,533 0.8,534 1.062,535 0.877,536 0.789,537 0.875,538 1.274,539 1.109,540 1.119,541 0.893,542 1.252,543 1.004,544 7,545 0.153,546 3.111,547 2.125,548 1.564,549 1.306,550 0.63,551 0.293,552 0.267,553 0.141,554 6454,555 32336,556 1.897,557 28.6,559 10,567 1.681,568 1.714,569 3.319,570 -0.593,572 1,575 71.338,576 2.038,577 3.508,578 4,579 4.572,580 4.651,581 4.651,582 2.759,583 4.023,584 4.615,585 3.502,586 1050.61,587 7.986,588 12841,589 1,590 1,591 1,592 1,593 179.525,594 1.743,595 4.522,596 0.269,597 0.011,598 0.084,599 0.057,600 0.043,601 0.04,602 0.021,603 0.012,604 0.013,605 0.007,606 0.558,607 0.17,608 1,609 0.991,610 120.916,611 0.071,612 0.037,613 0.089,614 0.036,615 -0.058,616 0.015,617 0.354,618 0.282,619 -0.025,620 -0.044,621 0.345,622 -0.151,623 -0.135,624 -0.174,625 0.024,626 -0.145,627 -0.07,628 -0.064,629 -0.194,630 -0.136,631 -0.112,632 -0.142,633 -0.167,634 -0.087,635 -0.144,636 0.068,637 -0.015,638 0.044,639 -0.167,640 0.007,641 0.215,642 -0.019,643 0.211,644 -0.016,645 0.182,646 0.089,647 0.253,648 0.021,649 -0.062,650 0.1,651 0.305,652 0.039,653 -0.311,654 0.007,655 -0.307,656 -0.005,657 -0.309,658 -0.032,659 6.031,660 5.156,661 0.48,662 22.477,663 1.076,664 1.142,665 3.763,666 14.159,667 0.694,668 3.296,669 3.638,670 3.784,671 3.97,672 4.143,673 4.159,674 4.159,675 3.932,676 3.912,677 3.761,678 6.175,679 0.717,680 373.33,681 3.296,682 4.844,683 5.659,684 6.538,685 7.378,686 8.258,687 9.109,688 9.989,689 10.846,690 11.727,691 2.9,702 1,709 8,714 4,716 12,731 1,738 35,739 16,740 2,741 26,743 36,744 15,745 12,746 4,747 8,752 2,753 2,759 1,765 1,768 13,769 2,772 4,775 1,778 4,782 1,783 1,785 1,786 1,787 3,789 10,790 8,792 10,793 1,797 1,803 1,804 5,823 2,841 1,855 2,857 1,861 3,862 25,864 1,869 1,872 1,876 1,885 3,886 14.3,889 2,891 1,892 2,893 14.583,894 6.295,895 5.417,896 1.807,898 2.245,899 1.343,900 0.941,901 5.806,902 8.799,903 3.611,904 4.19,905 4.635,906 5.153,907 5.641,908 5.747,909 5.973,910 5.772,911 5.869,912 5.749,913 0.857,914 37,915 10.044,917 5.121,918 8.932,919 15.959,921 12.644,924 3.432,925 85.806,929 117.711,930 123.53,931 5.67,933 109.048,934 44.88,935 19.133,936 104.397,937 226.759,938 50.55,939 5.67,940 0.9,941 94.943,942 54.493,943 68.617,945 117.711,946 58.506,947 117.711,948 110.067,949 153.929,950 19.133,952 117.711,953 103.182,954 50.747,956 8.659,957 95.738,958 5.67,959 19.133,960 162.591,961 114.718,962 123.53,965 144.603,966 20.828,967 81.48,969 153.929,970 117.711,971 159.599,972 123.53,973 0.593,974 0.321,975 0.161,976 0.089,977 16,978 9,979 0.167,980 6,982 1,983 3.534,984 194.303,986 12,987 105.342,991 1,993 18.942,994 7.663,995 5.039,997 153.929,998 9.412,1003 -2.512,1006 400.839,1007 36,1010 -1.078,1013 45.834,1017 -0.932,1018 -2.238,1020 37.654,1021 39.976,1022 0.397,1023 0.684,1024 0.78,1025 0.891,1026 0.907,1027 0.907,1028 4.852,1029 1.092,1030 5.707,1031 3.175,1032 4.317,1033 4.875,1034 4.151,1035 6.547,1036 4.154,1037 6.095,1038 1,1039 7.303,1040 2.799,1041 4.205,1042 4.844,1043 4.213,1044 7.753,1045 3.837,1046 7.425,1047 1,1048 9.014,1049 2.42,1050 5.999,1051 7.044,1052 6.365,1053 10.735,1054 5.632,1055 8.788,1056 -0.087,1057 10.793,1058 2.136,1059 6.635,1060 7.733,1061 6.9,1062 12.72,1063 6.044,1064 10.178,1065 -0.366,1066 12.615,1067 -0.225,1068 8.015,1069 9.499,1070 8.801,1071 15.321,1072 7.407,1073 11.588,1074 -0.603,1075 14.468,1076 -0.945,1077 8.962,1078 10.525,1079 9.535,1080 17.589,1081 8.151,1082 13.014,1083 -0.821,1084 16.342,1085 -1.381,1086 10.201,1087 12.11,1088 11.323,1089 20.077,1090 9.339,1091 3.341,1092 -1,1093 18.233,1094 -2,1095 11.28,1096 13.313,1097 12.184,1098 22.451,1099 10.245,1100 3.018,1101 11.741,1102 20.136,1103 -2.261,1104 12.474,1105 14.814,1106 13.888,1107 24.906,1108 11.36,1109 2.63,1110 10.364,1111 22.048,1112 4.236,1113 13.611,1114 16.116,1115 14.847,1116 27.322,1117 12.347,1118 2.331,1119 7.497,1120 23.968,1121 3.559,1122 14.793,1123 17.578,1124 16.478,1125 29.768,1126 13.433,1127 1.989,1128 6.735,1129 25.894,1130 3.478,1131 15.956,1132 18.938,1133 17.516,1134 32.201,1135 14.462,1136 1.713,1137 5.297,1138 27.825,1139 3.196,1140 17.138,1141 20.383,1142 19.087,1143 34.647,1144 15.539,1145 1.408,1146 4.805,1147 29.759,1148 2.725,1149 18.315,1150 21.775,1151 20.189,1152 37.09,1153 16.591,1154 6597,1155 14989,1156 16.008,1157 24.307,1158 39.939,1159 41.524,1160 40.3,1161 39.309,1162 39.045,1163 52.267,1164 24.706,1165 113.94,1166 36.021,1167 5.466,1168 6.83,1169 6.926,1170 5.352,1171 5.341,1172 7.236,1173 7.153,1174 18.842,1175 4.983,1176 16.487,1177 1.536,1178 1.597,1179 1.55,1180 1.512,1181 1.502,1182 2.01,1183 0.95,1184 4.382,1185 1.385,1186 4.039,1187 4.05,1188 4.369,1189 3.975,1190 8.513,1191 3.943,1192 3.889,1193 3.911,1194 3.852,1195 3.809,1196 7.999,1197 3.807,1198 3.603,1199 3.596,1200 3.813,1201 3.522,1202 7.999,1203 3.457,1204 3.553,1205 3.573,1206 3.564,1207 3.106,1208 7.815,1209 3.207,1210 3.246,1211 3.263,1212 3.273,1213 2.949,1214 7.437,1215 2.996,1216 2.989,1217 2.982,1218 3.106,1219 2.755,1220 7.391,1221 2.765,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 6.999,1227 2.715,1228 2.745,1229 2.764,1230 2.671,1231 2.559,1232 4.829,1233 2.558,1234 0.176,1235 0.186,1236 0.274,1237 0.162,1238 0.128,1239 4.565,1240 0.163,1241 4.83,1242 0.147,1243 7.124,1244 0.452,1245 4.216,1246 0.115,1247 3.341,1248 4.236,1249 3.825,1250 11.741,1251 2.983,1252 1.946,1253 1.938,1254 1.997,1255 2.085,1256 1.187,1257 2.055,1258 1.871,1259 1.847,1260 1.976,1261 1.973,1262 1.04,1263 1.979,1264 1.483,1265 1.488,1266 1.545,1267 1.71,1268 0.861,1269 1.667,1270 1.235,1271 1.212,1272 1.284,1273 1.657,1274 0.243,1275 1.582,1276 1.032,1277 1.02,1278 1.181,1279 1.355,1280 0.218,1281 1.272,1282 0.886,1283 0.821,1284 1.131,1285 1.08,1286 0.213,1287 1.107,1288 0.85,1289 0.816,1290 1.076,1291 1.062,1292 0.144,1293 1.08,1294 0.589,1295 0.598,1296 0.73,1297 0.887,1299 0.885,1300 3.97,1302 5.303,1304 6.815,1306 8.406,1308 10.041,1312 37.932,1315 -0.735,1318 4.903,1322 -4.781,1326 25.093,1327 71.338,1328 122.77,1329 140.015,1330 160.015,1331 162.77,1332 162.77,1333 97.116,1334 6.554,1335 89.19,1336 108.4,1337 12,1338 12.267,1339 4.087,1340 3.459,1341 51.652,1342 91,1343 94,1344 0.276,1345 157.951,1346 292.09,1347 377.159,1348 5256,1349 8.6,1350 18.613,1351 0.745,1352 0.527,1353 16.401,1354 13.173,1355 11.681,1356 0.449,1357 0.308,1358 6.621,1359 10.256,1360 6.452,1361 5.291,1362 11.129,1363 7.999,1364 11.506,1365 0.311,1366 0.166,1367 10.368,1368 6.134,1369 8.002,1370 0.186,1371 0.1,1372 7.999,1373 4.286,1374 6.386,1375 0.123,1376 0.055,1377 6.824,1378 2.878,1379 4.837,1380 0.078,1381 0.03,1382 5.364,1383 1.889,1384 0.432,1385 82.798,1386 0.25,1387 24.318,1388 0.762,1389 126,1390 719.517,1391 186.242,1392 616.356,1393 770.6,1394 560,1395 143,1396 503.336,1397 198.218,1398 500.452,1399 736.2,1400 465,1401 4.645}
{0 CHEMBL1372625,1 1.458,2 11.083,3 3.735,4 13.952,5 85.662,6 8.208,7 0.423,8 3.814,9 3.88,10 3.455,11 3.319,12 5.022,13 3.345,14 4.331,15 4.438,16 3.827,17 3.635,18 5.634,19 3.667,20 4.512,21 4.646,22 3.782,23 3.674,24 5.764,25 3.681,26 4.444,27 4.608,28 3.662,29 3.591,30 5.677,31 3.579,32 4.336,33 4.495,34 3.509,35 3.469,36 5.555,37 3.461,38 4.279,39 4.412,40 3.453,41 3.414,42 5.569,43 3.401,44 4.153,45 4.339,46 3.249,47 3.386,48 5.172,49 3.302,50 4.093,51 4.283,52 3.257,53 3.202,54 5.247,55 3.18,56 0.123,57 0.489,58 6.692,59 3.977,60 9.255,61 4.153,62 0.489,63 0.773,64 14.06,65 6.291,66 38.102,67 6.843,68 0.871,69 0.883,70 19.423,71 7.163,72 57.1,73 7.614,74 0.569,75 0.848,76 18.171,77 7.02,78 47.372,79 8.122,80 0.529,81 0.749,82 16.578,83 6.148,84 63.199,85 6.768,86 0.808,87 0.687,88 15.794,89 5.551,90 60.878,91 5.763,92 0.352,93 0.667,94 13.136,95 5.68,96 28.662,97 7.147,98 0.33,99 0.596,100 13.27,101 4.999,102 31.737,103 6.088,104 20,105 36,106 0.258,107 0.623,108 0.785,109 0.854,110 0.854,111 0.854,112 3.227,113 0.863,114 -3.41,115 -3.39,116 -3.24,120 45,121 2,126 1,128 1,136 2,143 5,144 1,145 2,153 2,159 2,174 5,176 2,177 10,185 6,188 3,189 7,197 4,200 1,201 9,209 2,214 6,222 4,226 3,227 3,235 5,239 1,240 2,247 2,252 8,260 2,263 1,264 4,271 2,274 786,275 15.894,276 15.894,277 15.894,278 15.894,279 15.894,280 14.225,281 18.387,282 9.376,283 16.241,284 12.848,285 12.848,286 12.848,287 12.848,288 12.848,289 10.092,290 21.649,291 4.508,292 13.369,293 3.864,294 1.795,295 0.878,296 0.488,297 0.488,298 0.488,299 3.907,305 1,306 1,307 1,308 565,309 3.464,312 69.547,313 133.287,317 113.143,320 1.757,321 32.288,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54,333 266,334 4.329,335 3.682,336 6.212,337 3.927,338 2.962,339 3.971,340 1.674,341 9.342,342 2.866,343 4.252,344 3.625,345 6.097,346 3.882,347 2.893,348 3.855,349 1.674,350 8.891,351 2.844,352 3.744,353 3.058,354 5.353,355 3.386,356 2.439,357 3.065,358 1.151,359 6.938,360 2.304,361 3.628,362 2.831,363 5.191,364 3.263,365 2.298,366 2.891,368 6.496,369 2.21,370 3.412,371 2.523,372 4.952,373 3.039,374 2.064,375 2.643,377 5.777,378 1.987,379 3.085,380 2.418,381 4.663,382 2.926,383 1.954,384 2.129,386 5.061,387 1.877,388 2.979,389 1.817,390 4.387,391 2.527,392 1.569,393 2.106,395 4.278,396 1.492,397 2.601,398 1.811,399 3.786,400 2.176,401 1.184,402 1.552,404 2.903,405 1.158,406 2.42,407 1.139,408 3.317,409 1.806,410 0.83,411 1.201,413 1.942,414 0.803,415 2.167,416 0.895,417 3.266,418 1.67,419 0.672,420 0.985,422 1.649,423 0.667,424 1.789,425 0.745,426 3.132,427 1.422,428 0.506,429 0.626,431 1.243,432 0.458,433 1.304,434 0.693,435 2.506,436 0.795,437 -0.214,438 -0.316,440 -0.502,441 -0.212,442 0.891,443 0.566,444 2.373,445 0.548,446 -0.39,447 -0.461,449 -1.086,450 -0.361,451 0.822,452 -0.043,453 2.265,454 0.482,455 -0.486,456 -0.575,458 -1.179,459 -0.46,460 0.504,461 -0.435,462 2.235,463 0.075,464 -0.912,465 -1,467 -2,468 -0.875,469 11,470 0.458,471 0.664,472 0.028,473 31,474 1.292,475 15.5,476 0.646,477 15.5,478 0.646,479 17.051,480 0.71,481 26.2,482 0.655,483 22.699,484 0.946,485 6.385,486 0.266,487 5.123,488 0.213,489 0.152,491 0.364,496 0.78,497 1.222,498 0.669,499 1.182,500 0.617,501 0.955,502 0.887,503 1.1,504 0.732,505 1.065,506 0.537,507 0.897,508 1.225,509 0.878,510 1.082,511 0.875,512 0.876,513 0.919,514 1.015,515 1.084,516 0.948,517 1.071,518 1.098,519 1.006,520 1.291,521 1,522 1.094,523 0.986,524 1.578,525 0.979,526 1.336,527 0.787,528 1.283,529 0.807,530 1.052,531 0.979,532 0.56,533 1.173,534 0.978,535 1.204,536 0.594,537 1.221,538 0.941,539 1.107,540 0.851,541 1.085,542 0.881,543 0.971,544 6,545 0.127,546 2.444,547 1.222,548 1.482,549 0.479,550 0.444,551 0.265,552 0.156,553 0.172,554 6885,555 22080,556 2.04,557 40,559 10,564 6,567 1.662,568 1.895,569 3.457,570 -0.74,572 1,574 1,575 58.309,576 1.458,577 3.527,578 4.444,579 4.834,580 4.834,581 4.834,582 2.907,583 4.168,584 4.557,585 3.63,586 1001.91,587 7.83,588 12284.9,589 1,590 1,591 1,592 1,593 212.877,594 1.459,595 4.507,596 0.231,597 0.008,598 0.068,599 0.037,600 0.051,601 0.019,602 0.019,603 0.014,604 0.008,605 0.01,606 0.465,607 0.33,608 1,609 1.195,610 116.507,611 -0.046,612 -0.155,613 0.059,614 -0.134,615 -0.078,616 -0.032,617 0.088,618 -0.086,619 0.149,620 -0.068,621 0.155,622 0.031,623 -0.043,624 0.101,625 -0.101,626 0.085,627 -0.032,628 -0.002,629 -0.041,630 -0.112,631 0.028,632 -0.098,633 -0.05,634 -0.032,635 -0.224,636 -0.03,637 -0.104,638 -0.023,639 -0.258,640 -0.024,641 -0.074,642 0.187,643 -0.282,644 0.143,645 -0.069,646 -0.075,647 0.103,648 -0.188,649 -0.061,650 -0.197,651 0.004,652 -0.186,653 -0.046,654 -0.148,655 0.153,656 -0.113,657 0.017,658 0.04,659 2.177,660 4.722,661 0.625,662 22.042,663 1.026,664 1.114,665 2.175,666 4.732,667 0.67,668 3.296,669 3.611,670 3.807,671 4.043,672 4.22,673 4.234,674 4.248,675 4.394,676 4.431,677 4.394,678 6.67,679 0.663,680 328.34,681 3.296,682 4.828,683 5.652,684 6.518,685 7.361,686 8.227,687 9.078,688 9.943,689 10.798,690 11.664,709 5,712 1,714 5,716 11,726 1,735 1,738 40,739 14,740 1,741 26,743 42,744 18,745 10,746 3,747 3,748 4,752 3,753 4,759 2,766 1,768 14,769 4,772 3,778 2,780 2,782 2,786 1,788 1,789 16,790 6,792 6,803 0.667,804 6,822 1,823 2,827 1,841 1,845 2,855 2,859 2,862 24,869 1,872 3,874 1,886 15,889 2,891 4,893 12.667,894 7.917,895 5.222,896 2.389,898 2.565,899 1.363,900 0.946,901 4.833,902 9.628,903 3.57,904 4.123,905 4.636,906 5.156,907 5.57,908 5.808,909 5.975,910 6.359,911 6.639,912 6.754,913 1,914 33,915 8.859,917 3.752,918 8.021,919 16.363,921 12.908,924 2.521,925 60.5,928 1,929 188.338,930 127.529,933 92.797,936 127.529,937 281.134,939 17.65,940 4.592,941 66.334,942 64.673,943 56.179,944 10.898,945 188.338,947 188.338,948 127.529,949 92.797,952 117.711,953 163.423,956 22.243,957 86.334,958 18.952,960 188.338,961 92.797,962 127.529,965 188.338,966 43.545,967 83.984,969 92.797,970 188.338,971 92.797,972 127.529,973 0.583,974 0.318,975 0.169,976 0.092,977 17,978 8,979 0.143,980 6,981 1,982 1.133,983 3.699,984 184.634,985 0.133,986 15,987 108.039,993 16.493,994 7.033,995 4.145,997 92.797,998 8.384,1001 5.402,1003 2.394,1006 408.664,1007 34.5,1013 22.973,1015 3.049,1017 -0.928,1020 41.033,1021 44.578,1022 0.274,1023 0.663,1024 0.835,1025 0.908,1026 0.908,1027 0.908,1028 4.802,1029 1.184,1030 5.638,1031 4.278,1032 4.29,1033 4.808,1034 2.699,1035 6.399,1036 4.218,1037 6.002,1038 0.83,1039 7.168,1040 2.903,1041 3.892,1042 4.59,1044 7.168,1045 3.805,1046 7.294,1047 0.672,1048 8.788,1049 1.942,1050 5.844,1051 6.926,1052 3.582,1053 10.204,1054 5.704,1055 8.617,1056 0.506,1057 10.458,1058 1.649,1059 6.196,1060 7.496,1062 11.756,1063 6.047,1064 9.967,1065 -0.214,1066 12.161,1067 1.243,1068 7.644,1069 9.313,1070 4.541,1071 14.302,1072 7.451,1073 11.338,1074 -0.39,1075 13.887,1076 -0.502,1077 8.353,1078 10.263,1080 16.205,1081 8.147,1082 12.723,1083 -0.486,1084 15.629,1085 -1.086,1086 9.589,1087 11.852,1088 5.538,1089 18.561,1090 9.349,1091 2.962,1092 -0.912,1093 17.384,1094 -1.179,1095 10.478,1096 12.999,1098 20.63,1099 10.221,1100 2.893,1101 9.342,1102 19.15,1103 -2,1104 11.62,1105 14.478,1106 6.554,1107 22.907,1108 11.334,1109 2.439,1110 8.891,1111 20.924,1112 3.971,1113 12.6,1114 15.728,1116 25.054,1117 12.294,1118 2.298,1119 6.938,1120 22.706,1121 3.855,1122 13.701,1123 17.153,1124 7.578,1125 27.297,1126 13.369,1127 2.064,1128 6.496,1129 24.493,1130 3.065,1131 14.728,1132 18.457,1134 29.482,1135 14.373,1136 1.954,1137 5.777,1138 26.285,1139 2.891,1140 15.812,1141 19.855,1142 8.605,1143 31.711,1144 15.431,1145 1.569,1146 5.061,1147 28.082,1148 2.643,1149 16.862,1150 21.188,1152 33.914,1153 16.458,1154 6730,1155 12204,1156 17.107,1157 26.818,1158 39.622,1159 40.965,1160 39.785,1161 38.725,1162 38.74,1163 50.05,1164 8.999,1165 109.04,1166 37.332,1167 5.178,1168 5.682,1169 5.606,1170 5.02,1171 4.962,1172 6.971,1173 3.349,1174 15.742,1175 4.866,1176 12.885,1177 1.524,1178 1.576,1179 1.53,1180 1.489,1181 1.49,1182 1.925,1183 0.346,1184 4.194,1185 1.436,1186 4.001,1187 4.005,1188 3.96,1189 3.9,1190 7.435,1191 3.909,1192 3.915,1193 3.915,1194 3.879,1195 3.765,1196 7.431,1197 3.791,1198 3.624,1199 3.675,1200 3.495,1201 3.435,1202 5.043,1203 3.433,1204 3.501,1205 3.512,1206 3.434,1207 3.353,1208 4.873,1209 3.366,1210 3.209,1211 3.227,1212 3.112,1213 2.99,1214 4.497,1215 3.015,1216 2.994,1217 3.009,1218 2.917,1219 2.785,1220 4.449,1221 2.806,1222 2.902,1223 3.005,1224 2.781,1225 2.656,1226 4.046,1227 2.686,1228 2.874,1229 2.934,1230 2.596,1231 2.618,1232 3.943,1233 2.57,1234 0.167,1235 0.142,1236 0.239,1237 0.151,1238 0.114,1239 4.329,1240 0.153,1241 3.682,1242 0.064,1243 6.212,1244 0.359,1245 3.927,1246 0.11,1247 2.962,1248 3.971,1249 1.674,1250 9.342,1251 2.866,1252 1.93,1253 1.919,1254 2.013,1255 2.036,1256 1.118,1257 2.025,1258 1.631,1259 1.596,1260 1.891,1261 1.861,1262 1.054,1263 1.862,1264 1.555,1265 1.528,1266 1.719,1267 1.739,1268 0.874,1269 1.721,1270 1.448,1271 1.424,1272 1.585,1273 1.632,1274 0.619,1275 1.616,1276 1.379,1277 1.366,1278 1.51,1279 1.564,1280 0.57,1281 1.551,1282 0.934,1283 0.888,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.916,1289 0.804,1290 1.139,1291 1.168,1292 0.179,1293 1.15,1294 0.813,1295 0.779,1296 1.064,1297 1.096,1298 0.048,1299 1.088,1300 3.97,1302 5.283,1303 2.398,1304 6.767,1305 4.595,1306 8.334,1307 6.581,1308 9.949,1310 3.534,1315 0.136,1318 15.769,1320 -0.213,1326 26.503,1327 58.309,1328 141.087,1329 177.758,1330 193.367,1331 193.367,1332 193.367,1333 42.712,1334 7.063,1335 78.88,1336 78.88,1337 17,1338 12.212,1339 3.907,1340 3.248,1341 39.595,1342 98,1343 84,1344 0.2,1345 161.811,1346 292.7,1347 386.578,1348 11099,1350 17.104,1351 0.713,1352 0.553,1353 17.104,1354 13.275,1355 11.508,1356 0.443,1357 0.288,1358 7.328,1359 10.863,1360 7.133,1361 5.922,1362 11.508,1363 7.475,1364 10.741,1365 0.298,1366 0.152,1367 10.741,1368 5.463,1369 8.197,1370 0.186,1371 0.072,1372 8.197,1373 3.181,1374 6.788,1375 0.121,1376 0.038,1377 6.788,1378 2.123,1379 5.197,1380 0.078,1381 0.02,1382 5.197,1383 1.332,1384 0.322,1385 73.561,1386 0.242,1387 23.879,1388 0.524,1389 124,1390 476.413,1391 144.814,1392 434.282,1393 582.09,1394 406,1395 142,1396 424.636,1397 161.268,1398 416.166,1399 609.7,1400 391,1401 4.176}
{0 CHEMBL1372947,1 1.349,2 12.143,3 2.772,4 7.686,5 109.796,6 6.184,7 0.194,8 4.22,9 4.343,10 3.616,11 3.71,12 5.136,13 3.659,14 4.855,15 5.04,16 3.992,17 4.197,18 5.678,19 4.109,20 5.242,21 5.479,22 4.053,23 4.427,24 6.029,25 4.272,26 5.328,27 5.621,28 3.938,29 4.395,30 5.981,31 4.204,32 5.212,33 5.478,34 3.865,35 4.265,36 6.045,37 4.097,38 5.151,39 5.429,40 3.768,41 4.067,42 6.181,43 3.908,44 4.873,45 5.14,46 3.478,47 3.775,48 5.806,49 3.638,50 4.517,51 4.765,52 3.377,53 3.658,54 5.272,55 3.53,56 0.085,57 0.856,58 16.087,59 6.725,60 10.062,61 9.183,62 0.249,63 1.488,64 30.221,65 11.648,66 25.434,67 16.423,68 0.652,69 1.981,70 44.004,71 16.437,72 53.256,73 23.623,74 0.433,75 2.002,76 46.582,77 17.26,78 36.396,79 25.338,80 0.408,81 1.743,82 42.236,83 15.148,84 55.915,85 21.817,86 0.819,87 1.496,88 40.62,89 12.766,90 120.796,91 18.694,92 0.746,93 1.11,94 31.263,95 9.066,96 74.098,97 13.266,98 0.198,99 0.915,100 21.128,101 7.594,102 17.662,103 10.923,104 23,105 44,106 0.221,107 0.485,108 0.678,109 0.755,110 0.755,111 0.755,112 3.374,113 1.06,114 -3.55,115 -3.52,116 -3.36,120 36.5,122 6,123 3,124 1,126 6,128 1,143 4,144 1,145 1,174 17,177 2,185 27,189 2,192 4,197 25,200 1,201 1,209 18,214 1,219 2,222 12,227 5,231 3,232 2,235 6,240 5,243 2,245 1,252 4,257 1,264 1,269 7,274 1188,275 19.16,276 19.16,277 19.16,278 19.16,279 19.16,280 18.474,281 17.166,282 11.447,283 19.513,284 15.3,285 15.3,286 15.3,287 15.3,288 15.3,289 14.267,290 18.773,291 5.342,292 15.909,293 4.628,294 3.014,295 1.838,296 1.366,297 1.366,298 1.366,299 4.073,306 1,307 1,308 746,309 4.301,313 437.288,315 340.742,320 1.99,321 26.485,324 1,325 0.83,326 0.83,327 1,328 1,329 1,330 1,331 0.95,332 60.5,333 340,334 4.63,335 3.734,336 7.679,337 4.563,338 3.563,339 3.911,340 0.86,341 14.234,342 3.562,343 3.923,344 2.991,345 5.781,346 3.678,347 2.69,348 3.297,349 0.8,350 8.158,351 2.669,352 3.646,353 2.834,354 5.49,355 3.546,356 2.615,357 2.73,359 7.399,360 2.42,361 3.578,362 2.678,363 5.367,364 3.397,365 2.449,366 2.596,368 7.018,369 2.316,370 3.098,371 2.376,372 5.061,373 3,374 2.063,375 2.124,377 6.076,378 2,379 3,380 2,381 5.061,382 3,383 2,384 2,386 6.076,387 2,388 3,389 2,390 4.944,391 2.995,392 2,393 2,395 5.455,396 1.911,397 2.919,398 1.772,399 4.763,400 2.619,401 1.643,402 1.991,404 5.038,405 1.596,406 2.5,407 1.672,408 3.414,409 2.17,410 1.247,411 1.5,413 2.275,414 1.142,415 2.247,416 1.414,417 3.396,418 2,419 1,420 1.247,422 2.117,423 1,424 1.916,425 1.125,426 3.396,427 1.79,428 0.892,429 0.906,431 1.691,432 0.793,433 1.666,434 1,435 3.29,436 1.45,437 0.579,438 0.617,440 1.108,441 0.499,442 1,443 0.117,444 3.247,445 1,451 1,452 0.103,453 3.016,454 1,460 0.938,461 0.006,462 2.677,463 0.68,464 -0.264,465 -0.287,467 -0.598,468 -0.245,469 13.233,470 0.473,471 0.66,472 0.024,473 24,474 0.857,475 6.5,476 0.232,477 17.5,478 0.625,479 33.284,480 1.189,481 33.567,482 0.533,483 15.576,484 0.556,485 3.851,486 0.138,487 9.747,488 0.348,489 0.076,490 0.038,491 0.257,496 0.966,497 1.339,498 1.006,499 1.227,500 0.983,501 1.138,502 1.01,503 1.165,504 1.097,505 1.13,506 0.815,507 1.118,508 0.751,509 1.09,510 1.116,511 1.133,512 0.689,513 1.172,514 0.553,515 0.942,516 0.861,517 0.983,518 0.428,519 0.968,520 0.957,521 1.079,522 1.008,523 1.101,524 1.138,525 1.071,526 1.14,527 0.916,528 0.951,529 0.91,530 1.089,531 0.908,532 1.695,533 0.744,534 1.114,535 0.726,536 1.406,537 0.823,538 0.971,539 1.037,540 0.959,541 1.032,542 0.564,543 0.997,544 7.5,545 0.203,546 2.444,547 1.813,548 1.036,549 1.014,550 0.4,551 0.274,552 0.217,553 0.128,554 10965,555 22084,556 2.106,557 55.6,558 15,559 17,562 3,567 1.704,568 1.988,569 3.536,570 0.847,572 1,575 85.002,576 1.349,577 2.963,578 4.139,579 4.612,580 4.612,581 4.612,582 2.911,583 3.771,584 4.779,585 3.772,586 1425.65,587 8.273,588 19738.4,590 1,593 376.569,594 1.454,595 4.74,596 0.242,597 0.01,598 0.056,599 0.042,600 0.027,601 0.03,602 0.014,603 0.012,604 0.01,605 0.006,606 0.449,607 0.33,608 1,609 1.919,610 143.33,611 -0.071,612 -0.008,613 0.038,614 0.058,615 -0.089,616 0.061,617 -0.117,618 0.054,619 -0.077,620 0.026,621 -0.053,622 -0.011,623 0.07,624 -0.002,625 -0.138,626 -0.068,627 0.018,628 -0.127,629 0.055,630 0.035,631 0.06,632 0.01,633 0.046,634 0.034,635 -0.038,636 -0.107,637 -0.039,638 -0.097,639 -0.076,640 -0.072,641 0.149,642 -0.022,643 0.063,644 0.007,645 0.215,646 0.02,647 -0.042,648 0.146,649 -0.04,650 0.154,651 -0.086,652 0.068,653 -0.042,654 -0.002,655 0.027,656 -0.002,657 -0.016,658 0.021,659 1.985,660 4.213,661 0.571,662 28.429,663 0.991,664 1.133,665 2.32,666 5.382,667 0.615,668 3.466,669 3.807,670 4.078,671 4.419,672 4.7,673 4.852,674 4.99,675 5.081,676 4.99,677 5.056,678 7.442,679 0.569,680 389.59,681 3.466,682 5.017,683 5.872,684 6.777,685 7.656,686 8.575,687 9.467,688 10.395,689 11.296,690 12.231,691 1.6,694 1,709 4,714 2,716 6,735 1,738 63,739 6,740 1,741 31,743 66,744 23,745 6,746 2,747 4,752 4,753 8,759 2,760 1,762 1,763 6,764 3,766 7,768 6,769 17,770 3,786 1,789 35,790 5,791 3,792 5,797 1,803 0.5,804 4,805 2,806 1,823 5,825 3,851 1,853 3,855 2,862 28,868 3,869 12,872 1,874 4,875 1,876 1,886 6.3,887 3,891 1,893 14.083,894 10.383,895 6.208,896 4.018,898 1.128,899 1.146,900 0.877,901 6.385,902 8.843,903 3.555,904 3.998,905 4.41,906 4.874,907 5.335,908 5.529,909 5.814,910 6.044,911 6.243,912 6.401,913 0.875,914 43,915 10.499,917 4.56,918 7.622,919 21,921 18.789,924 2.122,925 59.417,928 1,929 376.675,930 72.451,931 3.124,933 139.05,936 72.451,937 515.725,938 3.124,940 26.117,941 165.955,943 22.553,945 376.675,947 376.675,948 75.575,949 139.05,952 376.675,953 11,954 128.05,956 29.241,957 46.334,960 376.675,961 142.174,962 72.451,965 376.675,966 34.546,967 41.029,969 139.05,970 376.675,971 142.174,972 72.451,973 0.572,974 0.328,975 0.189,976 0.105,977 22,978 9,979 0.152,980 10,981 6,982 1.5,983 4.074,984 239.91,985 0.75,986 12,987 110.341,993 20.305,994 8.805,995 4.627,997 142.174,998 8.608,1003 2.278,1005 128.05,1006 591.3,1007 34,1020 62.432,1021 71.394,1022 0.226,1023 0.496,1024 0.692,1025 0.772,1026 0.772,1027 0.772,1028 4.848,1029 1.643,1030 5.883,1031 5.455,1032 4.489,1033 4.682,1034 1.235,1035 6.751,1036 4.428,1037 5.992,1038 1.247,1039 7.471,1040 5.038,1041 4.205,1042 4.407,1043 0.325,1044 8.011,1045 4.143,1046 7.285,1047 1,1048 9.175,1049 2.275,1050 6.168,1051 6.6,1052 0.938,1053 11.113,1054 6.081,1055 8.606,1056 0.892,1057 10.958,1058 2.117,1059 6.711,1060 7.123,1061 0.268,1062 13.319,1063 6.64,1064 9.969,1065 0.579,1066 12.8,1067 1.691,1068 8.193,1069 8.867,1070 0.732,1071 16.071,1072 8.112,1073 11.361,1075 14.689,1076 1.108,1077 9.137,1078 9.775,1079 0.188,1080 18.606,1081 9.077,1082 12.779,1084 16.614,1086 10.454,1087 11.334,1088 0.57,1089 21.282,1090 10.393,1091 3.563,1092 -0.264,1093 18.569,1095 11.584,1096 12.439,1097 0.125,1098 23.906,1099 11.54,1100 2.69,1101 14.234,1102 20.545,1103 -0.598,1104 12.852,1105 13.91,1106 0.438,1107 26.566,1108 12.813,1109 2.615,1110 8.158,1111 22.539,1112 3.911,1113 14.062,1114 15.12,1115 0.082,1116 29.214,1117 14.033,1118 2.449,1119 7.399,1120 24.545,1121 3.297,1122 15.322,1123 16.544,1124 0.334,1125 31.87,1126 15.298,1127 2.063,1128 7.018,1129 26.56,1130 2.73,1131 16.566,1132 17.815,1133 0.054,1134 34.524,1135 16.547,1136 2,1137 6.076,1138 28.581,1139 2.596,1140 17.827,1141 19.212,1142 0.252,1143 37.18,1144 17.812,1145 2,1146 6.076,1147 30.608,1148 2.124,1149 19.085,1150 20.519,1151 0.035,1152 39.835,1153 19.073,1154 10459,1155 14861,1156 20.86,1157 38.767,1158 45.923,1159 46.408,1160 48.33,1161 45.588,1162 45.481,1163 49.836,1164 3.32,1165 133.291,1166 43.815,1167 5.63,1168 5.734,1169 7.481,1170 5.623,1171 5.563,1172 6.911,1173 1.72,1174 21.761,1175 5.562,1176 12.477,1177 1.481,1178 1.497,1179 1.559,1180 1.471,1181 1.467,1182 1.608,1183 0.107,1184 4.3,1185 1.413,1186 4.11,1187 4.147,1188 4.021,1189 4.042,1190 6.461,1191 4.032,1192 3.853,1193 3.887,1194 3.769,1195 3.764,1196 6.453,1197 3.76,1198 3.767,1199 3.825,1200 3.649,1201 3.568,1202 6.448,1203 3.579,1204 3.492,1205 3.539,1206 3.349,1207 3.281,1208 4.844,1209 3.287,1210 3.368,1211 3.427,1212 3.178,1213 3.126,1214 4.446,1215 3.124,1216 3.228,1217 3.304,1218 3.09,1219 3.105,1220 4.243,1221 3.092,1222 3.228,1223 3.304,1224 3.039,1225 3.096,1226 4.104,1227 3.073,1228 3.221,1229 3.276,1230 3.039,1231 3.096,1232 3.674,1233 3.073,1234 0.149,1235 0.12,1236 0.248,1237 0.147,1238 0.115,1239 4.63,1240 0.126,1241 3.734,1242 0.028,1243 7.679,1244 0.459,1245 4.563,1246 0.115,1247 3.563,1248 3.911,1249 0.86,1250 14.234,1251 3.562,1252 2.095,1253 2.061,1254 2.249,1255 2.188,1256 1.713,1257 2.211,1258 1.838,1259 1.811,1260 1.97,1261 1.973,1262 1.239,1263 1.971,1264 1.708,1265 1.645,1266 1.921,1267 1.916,1268 1.13,1269 1.923,1270 1.446,1271 1.394,1272 1.707,1273 1.692,1274 0.988,1275 1.696,1276 1.327,1277 1.262,1278 1.643,1279 1.612,1280 0.947,1281 1.62,1282 1.262,1283 1.192,1284 1.562,1285 1.445,1286 0.947,1287 1.489,1288 1.262,1289 1.192,1290 1.562,1291 1.445,1292 0.873,1293 1.489,1294 1.233,1295 1.18,1296 1.491,1297 1.401,1298 0.812,1299 1.432,1300 4.143,1302 5.476,1304 7.031,1306 8.706,1308 10.45,1314 28.337,1315 9.978,1318 5.797,1320 2.176,1321 1.837,1322 0.405,1326 35.836,1327 85.002,1328 186.678,1329 260.755,1330 290.53,1331 290.53,1332 290.53,1333 55.552,1334 7.715,1335 73.16,1336 73.16,1337 24,1338 12.737,1339 2.807,1340 2,1341 42.872,1342 128,1343 116,1344 0.165,1345 215.818,1346 384.36,1347 518.355,1348 23538,1350 19.562,1351 0.699,1352 0.6,1353 19.562,1354 16.801,1355 13.598,1356 0.439,1357 0.353,1358 10.829,1359 13.12,1360 10.614,1361 8.662,1362 13.598,1363 10.955,1364 12.359,1365 0.281,1366 0.214,1367 12.359,1368 9.435,1369 9.996,1370 0.172,1371 0.125,1372 9.996,1373 7.249,1374 9.145,1375 0.112,1376 0.079,1377 9.145,1378 6.489,1379 7.44,1380 0.068,1381 0.046,1382 7.44,1383 5.065,1384 0.267,1385 85.098,1386 0.219,1387 27.224,1388 0.429,1389 150,1390 343.83,1391 160.607,1392 321.771,1393 430.54,1394 304,1395 177,1396 293.87,1397 187.25,1398 297.865,1399 438.62,1400 281,1401 5.508}
{0 CHEMBL1372952,1 1.79,2 10.714,3 4.485,4 20.112,5 107.385,6 8.788,7 0.677,8 3.944,9 4.046,10 3.694,11 3.507,12 5.16,13 3.493,14 4.435,15 4.576,16 4.101,17 3.87,18 5.714,19 3.852,20 4.567,21 4.724,22 4.151,23 3.988,24 5.736,25 3.92,26 4.651,27 4.83,28 4.138,29 3.984,30 5.775,31 3.895,32 4.64,33 4.847,34 4.092,35 3.936,36 5.756,37 3.862,38 4.651,39 4.815,40 4.068,41 3.911,42 5.989,43 3.877,44 4.581,45 4.765,46 3.951,47 3.853,48 5.821,49 3.814,50 4.547,51 4.741,52 3.777,53 3.736,54 5.819,55 3.698,56 0.168,57 0.714,58 7.191,59 3.864,60 6.554,61 4.304,62 0.408,63 1.14,64 16.031,65 6.27,66 44.802,67 7.237,68 0.414,69 1.3,70 19.821,71 7.72,72 33.466,73 8.538,74 0.491,75 1.349,76 24.429,77 9.193,78 27.342,79 10.281,80 0.483,81 1.348,82 28.029,83 9.291,84 33.855,85 10.491,86 0.725,87 1.301,88 24.233,89 7.776,90 84.767,91 7.741,92 0.405,93 1.226,94 20.572,95 7.32,96 36.231,97 8.11,98 0.479,99 1.112,100 22.927,101 7.504,102 44.761,103 8.337,104 21,105 44,106 0.303,107 0.643,108 0.762,109 0.837,110 0.847,111 0.847,112 3.375,113 0.903,114 -5.23,115 -5.12,116 -4.79,120 42.2,121 1,125 1,126 1,143 8,144 1,145 1,147 1,148 1,153 1,154 1,162 1,163 1,167 2,174 7,176 3,177 8,180 1,182 2,185 7,188 3,189 6,194 2,197 4,200 4,201 7,204 1,209 5,213 2,214 6,217 3,222 5,226 2,227 11,230 2,232 2,235 4,240 14,245 2,247 2,251 1,252 13,257 2,260 4,263 2,264 5,269 1,271 6,274 1330,275 18.972,276 18.972,277 18.972,278 18.972,279 18.972,280 16.132,281 18.501,282 11.113,283 19.66,284 15.271,285 15.271,286 15.271,287 15.271,288 15.271,289 10.976,290 22.594,291 5.25,292 16.366,293 3.701,294 1.689,295 0.984,296 0.539,297 0.478,298 0.478,299 4.07,306 1,307 1,308 650,309 3.24,312 135.418,313 167.028,316 112.215,320 1.449,321 28.465,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 61.5,333 300,334 4.615,335 4.604,336 6.819,337 4.143,338 3.235,339 4.447,340 2.95,341 11.265,342 2.938,343 4.476,344 3.788,345 6.272,346 3.952,347 3.004,348 4.351,349 2.612,350 9.586,351 2.853,352 3.957,353 3.312,354 5.815,355 3.529,356 2.549,357 3.492,358 0.86,359 7.763,360 2.501,361 3.785,362 2.97,363 5.338,364 3.291,365 2.386,366 3.304,367 0.522,368 6.92,369 2.161,370 3.73,371 2.769,372 5.282,373 3.227,374 2.272,375 3.168,377 6.613,378 2.152,379 3.342,380 2.544,381 5.133,382 2.891,383 2.013,384 2.604,386 6.101,387 1.735,388 3.037,389 2.401,390 4.768,391 2.538,392 1.603,393 2.285,395 4.75,396 1.506,397 2.964,398 1.715,399 4.411,400 2.486,401 1.516,402 2.13,404 4.289,405 1.468,406 2.936,407 1.528,408 4.02,409 2.425,410 1.464,411 2.096,413 3.282,414 1.385,415 2.655,416 1.49,417 3.588,418 2.042,419 1.091,420 1.662,422 2.758,423 1.034,424 2.5,425 1.174,426 3.247,427 2,428 1,429 1.5,431 2.136,432 1,433 2.008,434 1.102,435 3.19,436 1.549,437 0.651,438 0.833,440 1.361,441 0.578,442 1.567,443 1,444 3.142,445 1.232,446 0.335,447 0.399,449 0.903,450 0.295,451 1.509,452 1,453 2.815,454 1.156,455 0.262,456 0.329,458 0.466,459 0.233,460 1.024,461 0.453,462 2.735,463 0.64,464 -0.268,465 -0.334,467 -0.732,468 -0.239,469 13.333,470 0.476,471 0.712,472 0.025,473 41,474 1.464,475 22,476 0.786,477 19,478 0.679,479 20.575,480 0.735,481 29.267,482 0.65,483 30.486,484 1.089,485 8.202,486 0.293,487 5.344,488 0.191,489 0.125,491 0.36,496 0.591,497 1.237,498 0.665,499 0.916,500 0.526,501 0.861,502 0.747,503 1.11,504 0.714,505 0.925,506 0.428,507 0.809,508 0.805,509 1.143,510 1.064,511 1.095,512 0.559,513 1.014,514 0.661,515 1.152,516 1.111,517 1.258,518 0.704,519 1.137,520 0.751,521 0.976,522 1.162,523 1.091,524 0.656,525 0.847,526 1.444,527 1.062,528 1.276,529 1.001,530 1.804,531 0.976,532 1.18,533 1.146,534 1.066,535 1.042,536 1.175,537 1.014,538 1.267,539 1.052,540 1.185,541 1.105,542 1.393,543 1.022,544 6,545 0.121,546 2.667,547 2.431,548 1.814,549 0.987,550 0.728,551 0.55,552 0.325,553 0.271,554 9419,555 29039,556 2.094,557 37.8,559 13,562 1,563 3,567 1.715,568 1.953,569 3.361,570 -0.252,572 1,575 80.571,576 1.79,577 3.803,578 4.508,579 4.953,580 5.014,581 5.014,582 2.815,583 4.522,584 4.777,585 3.503,586 1323.95,587 8.336,588 17212.8,590 1,592 1,593 247.133,594 1.432,595 4.736,596 0.194,597 0.007,598 0.061,599 0.057,600 0.045,601 0.024,602 0.018,603 0.014,604 0.01,605 0.01,606 0.439,607 0.17,608 1,609 0.845,610 139.237,611 0.121,612 -0.114,613 0.07,614 0.009,615 -0.019,616 -0.005,617 0.135,618 -0.038,619 0.183,620 0.047,621 0.218,622 0.097,623 -0.002,624 -0.044,625 -0.003,626 -0.023,627 0.036,628 -0.076,629 0.153,630 -0.103,631 0.025,632 -0.155,633 0.019,634 -0.149,635 0.083,636 0.086,637 0.088,638 0.05,639 0.088,640 0.169,641 -0.187,642 0.002,643 -0.228,644 -0.01,645 -0.215,646 -0.093,647 -0.214,648 -0.106,649 -0.131,650 -0.107,651 -0.071,652 -0.091,653 -0.169,654 -0.072,655 -0.189,656 -0.141,657 -0.056,658 -0.063,659 2.456,660 4.555,661 0.714,662 25.643,663 1.019,664 1.123,665 4.003,666 16.021,667 0.702,668 3.466,669 3.807,670 4.094,671 4.394,672 4.615,673 4.691,674 4.836,675 5.011,676 5.075,677 5.136,678 6.227,679 0.68,680 395.48,681 3.466,682 5.017,683 5.878,684 6.77,685 7.653,686 8.551,687 9.444,688 10.346,689 11.244,690 12.147,691 11.1,699 2,701 2,702 1,708 2,709 8,710 2,711 1,714 6,715 1,716 21,731 1,735 1,738 45,739 23,740 2,741 31,743 48,744 19,745 16,746 4,747 8,752 4,753 5,759 1,768 16,769 3,772 2,775 1,778 2,786 1,789 17,790 5,791 1,792 9,793 1,794 2,797 5,803 0.75,804 3,822 2,823 2,826 1,855 3,856 1,857 1,859 2,862 28,869 1,872 1,873 1,886 6.7,891 1,892 2,893 14.333,894 8.883,895 6.139,896 2.489,898 3.952,899 1.516,900 1.003,901 5.178,902 11.607,903 3.795,904 4.466,905 5.066,906 5.696,907 6.19,908 6.495,909 6.909,910 7.389,911 7.671,912 8.03,913 1,914 43,915 10.306,917 4.408,918 7.881,919 19.315,921 15.626,924 2.381,925 66.667,928 1,929 188.338,930 149.032,931 57.926,933 61.747,935 32.22,936 116.812,937 250.084,938 57.926,939 25.378,940 2.106,941 75.81,942 35.899,943 42.073,944 4.472,945 220.557,946 50.747,947 188.338,948 174.738,949 61.747,950 32.22,952 188.338,953 11,954 50.747,956 35.903,957 99.594,958 39.241,959 32.22,960 188.338,961 119.673,962 149.032,965 188.338,966 53.513,967 103.087,968 16.786,969 95.318,970 188.338,971 119.673,972 149.032,973 0.583,974 0.343,975 0.189,976 0.108,977 22,978 10,979 0.125,980 6,981 1,982 1.1,983 3.925,984 249.446,985 0.1,986 20,987 128.606,989 1,993 18.689,994 7.757,995 3.833,996 1.562,997 95.318,998 15.292,999 8.703,1000 3.194,1003 3.144,1004 1.839,1005 16.786,1006 457.042,1007 43.5,1010 -0.456,1013 23.11,1020 45.869,1021 50.531,1022 0.326,1023 0.692,1024 0.821,1025 0.902,1026 0.913,1027 0.913,1028 5.026,1029 1.516,1030 5.872,1031 4.75,1032 4.489,1033 5.153,1034 3.454,1035 6.701,1036 4.354,1037 6.263,1038 1.464,1039 7.44,1040 4.289,1041 4.111,1042 5.075,1043 2.361,1044 7.612,1045 3.897,1046 7.592,1047 1.091,1048 9.106,1049 3.282,1050 6.098,1051 7.442,1052 5.377,1053 10.73,1054 5.826,1055 8.957,1056 1,1057 10.829,1058 2.758,1059 6.538,1060 8.188,1061 4.506,1062 12.491,1063 6.172,1064 10.353,1065 0.651,1066 12.589,1067 2.136,1068 8.004,1069 10.027,1070 7.44,1071 15.127,1072 7.588,1073 11.772,1074 0.335,1075 14.376,1076 1.361,1077 8.823,1078 11.158,1079 6.556,1080 17.258,1081 8.305,1082 13.209,1083 0.262,1084 16.183,1085 0.903,1086 10.087,1087 12.787,1088 9.54,1089 19.734,1090 9.513,1091 3.235,1092 -0.268,1093 18.006,1094 0.466,1095 11.085,1096 14.102,1097 8.548,1098 22.024,1099 10.408,1100 3.004,1101 11.265,1102 19.843,1103 -0.732,1104 12.271,1105 15.642,1106 11.658,1107 24.448,1108 11.528,1109 2.549,1110 9.586,1111 21.691,1112 4.447,1113 13.353,1114 17.045,1115 10.509,1116 26.806,1117 12.508,1118 2.386,1119 7.763,1120 23.548,1121 4.351,1122 14.513,1123 18.549,1124 13.789,1125 29.216,1126 13.591,1127 2.272,1128 6.92,1129 25.413,1130 3.492,1131 15.633,1132 19.994,1133 12.452,1134 31.604,1135 14.613,1136 2.013,1137 6.613,1138 27.285,1139 3.304,1140 16.786,1141 21.484,1142 15.928,1143 34.012,1144 15.682,1145 1.603,1146 6.101,1147 29.163,1148 3.168,1149 17.925,1150 22.948,1151 14.386,1152 36.414,1153 16.724,1154 9012,1155 16035,1156 20.69,1157 31.608,1158 46.872,1159 50.363,1160 48.242,1161 46.728,1162 46.763,1163 65.204,1164 13.888,1165 136.386,1166 43.682,1167 5.433,1168 6.604,1169 6.621,1170 5.337,1171 5.235,1172 7.447,1173 5.9,1174 18.423,1175 4.938,1176 13.647,1177 1.512,1178 1.625,1179 1.556,1180 1.507,1181 1.508,1182 2.103,1183 0.448,1184 4.4,1185 1.409,1186 4.116,1187 4.154,1188 4.207,1189 3.997,1190 7.815,1191 4.003,1192 4.016,1193 4.06,1194 3.993,1195 3.882,1196 6.999,1197 3.89,1198 3.856,1199 3.888,1200 3.806,1201 3.729,1202 5.078,1203 3.74,1204 3.504,1205 3.539,1206 3.576,1207 3.273,1208 4.847,1209 3.273,1210 3.452,1211 3.493,1212 3.433,1213 3.069,1214 4.714,1215 3.148,1216 3.134,1217 3.215,1218 3.134,1219 2.961,1220 4.645,1221 2.938,1222 3.106,1223 3.192,1224 2.925,1225 2.902,1226 4.075,1227 2.893,1228 2.889,1229 2.96,1230 2.843,1231 2.747,1232 3.809,1233 2.735,1234 0.149,1235 0.149,1236 0.22,1237 0.134,1238 0.104,1239 4.615,1240 0.143,1241 4.604,1242 0.095,1243 6.819,1244 0.363,1245 4.143,1246 0.095,1247 3.235,1248 4.447,1249 2.95,1250 11.265,1251 2.938,1252 1.92,1253 1.889,1254 2.045,1255 2.02,1256 1.187,1257 2.029,1258 1.904,1259 1.882,1260 1.987,1261 2.011,1262 1.099,1263 2.005,1264 1.595,1265 1.565,1266 1.75,1267 1.936,1268 0.879,1269 1.816,1270 1.526,1271 1.469,1272 1.578,1273 1.77,1274 0.679,1275 1.769,1276 1.323,1277 1.267,1278 1.562,1279 1.614,1280 0.582,1281 1.589,1282 1.188,1283 1.121,1284 1.397,1285 1.492,1286 0.52,1287 1.498,1288 1.112,1289 1.039,1290 1.361,1291 1.378,1292 0.336,1293 1.4,1294 0.887,1295 0.823,1296 1.181,1297 1.084,1298 0.218,1299 1.107,1300 4.143,1302 5.476,1303 3.045,1304 6.993,1305 5.476,1306 8.592,1307 7.618,1308 10.238,1310 3.362,1315 0.49,1318 5.225,1319 1.2,1326 30.599,1327 80.571,1328 171.133,1329 202.869,1330 222.869,1331 225.624,1332 225.624,1333 44.917,1334 7.655,1335 101.55,1336 126.85,1337 22,1338 12.668,1339 4.585,1340 3.755,1341 42.206,1342 100,1343 120,1344 0.199,1345 191.269,1346 317.7,1347 458.455,1348 21792,1350 19.673,1351 0.703,1352 0.574,1353 20.027,1354 16.064,1355 13.546,1356 0.437,1357 0.301,1358 8.433,1359 12.455,1360 8.13,1361 6.771,1362 13.954,1363 9.336,1364 12.369,1365 0.281,1366 0.162,1367 13.011,1368 7.121,1369 10.365,1370 0.176,1371 0.09,1372 11.137,1373 5.296,1374 8.773,1375 0.11,1376 0.049,1377 9.799,1378 3.937,1379 7.26,1380 0.073,1381 0.028,1382 8.326,1383 2.8,1384 0.308,1385 90.135,1386 0.22,1387 26.458,1388 0.563,1389 150,1390 500.98,1391 195.422,1392 500.602,1393 682.68,1394 466,1395 178,1396 499.062,1397 220.769,1398 514.944,1399 751.96,1400 481,1401 5.079}
{0 CHEMBL1372972,1 1.798,2 10.286,3 2.283,4 5.213,5 78.1,6 8.736,7 0.545,8 3.637,9 3.737,10 3.309,11 3.076,12 5.01,13 3.119,14 4.047,15 4.175,16 3.592,17 3.378,18 5.502,19 3.418,20 4.204,21 4.351,22 3.671,23 3.437,24 5.624,25 3.475,26 4.276,27 4.453,28 3.485,29 3.306,30 5.723,31 3.324,32 4.117,33 4.339,34 3.172,35 3.15,36 5.339,37 3.113,38 3.902,39 4.132,40 3.088,41 3.038,42 5.095,43 2.988,44 3.86,45 4.076,46 3.12,47 2.988,48 5.22,49 2.981,50 3.698,51 3.859,52 3.057,53 2.958,54 5.038,55 2.961,56 0.233,57 0.499,58 5.06,59 2.562,60 12.205,61 2.821,62 0.418,63 0.699,64 9.183,65 3.825,66 51.762,67 4.31,68 0.466,69 0.788,70 10.944,71 4.278,72 29.232,73 5.045,74 0.668,75 0.729,76 14.359,77 4.217,78 71.366,79 5.085,80 0.584,81 0.616,82 13.924,83 3.873,84 62.747,85 5.123,86 0.386,87 0.538,88 10.617,89 3.364,90 29.874,91 4.878,92 0.425,93 0.496,94 10.496,95 3.009,96 47.369,97 4.129,98 0.271,99 0.45,100 6.94,101 2.718,102 17.943,103 3.198,104 21,105 29,106 0.331,107 0.706,108 0.827,109 0.892,110 0.892,111 0.892,112 3.101,113 0.801,114 -3.09,115 -3.09,116 -2.97,120 39.4,125 1,143 5,144 1,145 3,146 1,148 1,156 1,167 2,170 1,174 4,176 1,177 4,180 1,182 2,185 2,188 2,189 8,192 1,194 4,197 1,200 2,201 5,204 1,206 2,213 1,214 2,217 1,218 1,219 1,222 1,226 1,227 1,230 3,232 1,235 2,239 2,240 1,243 1,245 1,247 2,251 1,252 3,257 1,260 2,264 4,271 1,274 545,275 14.06,276 14.06,277 14.06,278 14.06,279 14.06,280 12.046,281 15.123,282 8.327,283 14.442,284 10.74,285 10.74,286 10.74,287 10.74,288 10.74,289 7.787,290 13.572,291 3.799,292 11.267,293 3.246,294 1.213,295 0.557,296 0.205,297 0.205,298 0.205,299 3.762,305 1,306 1,307 1,308 443,309 3.082,313 152.718,320 1.537,321 28.275,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48,333 216,334 4.349,335 3.778,336 6.391,337 3.935,338 2.974,339 4.02,340 2.612,341 9.65,342 2.855,343 4.255,344 3.213,345 5.929,346 3.745,347 2.784,348 3.951,349 0.86,350 8.227,351 2.673,352 3.784,353 2.667,354 5.302,355 3.317,356 2.373,357 3.245,359 6.794,360 2.237,361 3.445,362 2.401,363 5.178,364 3.03,365 2.079,366 2.724,368 6.127,369 1.967,370 2.981,371 1.978,372 3.931,373 2.394,374 1.414,375 2.098,377 3.208,378 1.381,379 2.869,380 1.721,381 3.807,382 2.341,383 1.37,384 2.031,386 3.079,387 1.329,388 2.701,389 1.505,390 3.472,391 2.062,392 1.108,393 1.63,395 2.501,396 1.052,397 2.5,398 1.102,399 3.414,400 1.958,401 1,402 1.5,404 2.275,405 0.955,406 1.775,407 1,408 2.986,409 1.524,410 0.647,411 0.71,413 1.19,414 0.562,415 1.433,416 1,417 2.633,418 1.093,419 0.152,420 0.184,422 0.308,423 0.142,424 1.089,425 0.481,426 2.282,427 0.662,428 -0.25,429 -0.317,431 -0.504,432 -0.225,433 1,434 0.221,435 2,436 0.388,437 -0.558,438 -0.705,440 -1.187,441 -0.526,442 0.767,443 -0.345,444 2,445 0.106,446 -0.849,447 -1.177,449 -1.906,450 -0.802,451 0.592,452 -0.556,453 1.81,455 -1,456 -1.5,458 -2,459 -0.973,460 0.5,461 -1,462 1.524,463 -0.025,464 -1,465 -1.66,467 -3,468 -1,469 9.433,470 0.449,471 0.473,472 0.023,473 31.5,474 1.5,475 18,476 0.857,477 13.5,478 0.643,479 10.968,480 0.522,481 22.967,482 0.696,483 22.267,484 1.06,485 6.691,486 0.319,487 3.423,488 0.163,489 0.159,491 0.307,496 0.66,497 1.128,498 0.671,499 1.001,500 0.668,501 0.878,502 0.871,503 1.147,504 0.784,505 0.998,506 0.554,507 0.886,508 0.838,509 1.262,510 0.881,511 1.227,512 0.642,513 1.088,514 1.247,515 1.194,516 1.221,517 1.129,518 1.197,519 1.164,520 1.032,521 0.84,522 1.146,523 0.848,524 1.005,525 0.999,526 0.446,527 0.909,528 0.832,529 0.955,530 0.473,531 1.008,532 0.774,533 0.753,534 0.824,535 0.698,536 0.732,537 0.753,538 0.899,539 0.983,540 1.021,541 1.12,542 0.716,543 1.095,544 4,545 0.112,546 2.667,547 1.313,548 0.836,549 0.535,550 0.284,551 0.188,552 0.143,553 0.128,554 4510,555 17911,556 1.968,557 36.4,559 8,561 2,562 2,567 1.624,568 1.826,569 3.33,570 0.472,572 1,574 1,575 59.34,576 1.798,577 3.832,578 4.488,579 4.84,580 4.84,581 4.84,582 2.761,583 3.785,584 4.366,585 3.498,586 734.482,587 7.44,588 8198.38,589 1,590 1,592 1,593 166.465,594 1.461,595 4.311,596 0.182,597 0.01,598 0.092,599 0.044,600 0.036,601 0.031,602 0.018,603 0.011,604 0.009,605 0.01,606 0.443,607 0.5,608 1,609 0.988,610 97.348,611 0.078,612 0.079,613 0.025,614 0.04,615 -0.08,616 0.007,617 -0.031,618 -0.046,619 0.019,620 0.027,621 0.122,622 0.04,623 -0.002,624 -0.177,625 -0.039,626 -0.246,627 0.056,628 -0.168,629 -0.183,630 -0.239,631 -0.233,632 -0.203,633 -0.126,634 -0.236,635 -0.101,636 0.076,637 -0.092,638 0.093,639 -0.158,640 0.015,641 0.238,642 0.064,643 0.169,644 0.02,645 0.105,646 0.051,647 0.086,648 0.201,649 0.2,650 0.262,651 0.092,652 0.269,653 -0.091,654 0.069,655 -0.157,656 -0.109,657 -0.026,658 -0.13,659 2.533,660 3.849,661 0.571,662 16.707,663 1.038,664 1.136,665 1.862,666 3.465,667 0.663,668 3.135,669 3.401,670 3.611,671 3.714,672 3.829,673 3.761,674 3.714,675 3.584,676 3.638,677 3.807,678 6.147,679 0.668,680 288.29,681 3.135,682 4.635,683 5.451,684 6.286,685 7.116,686 7.953,687 8.786,688 9.623,689 10.457,690 11.295,691 12.1,696 1,700 1,701 1,702 1,709 6,710 1,714 5,716 12,731 1,734 1,735 1,738 33,739 15,740 1,741 22,743 34,744 13,745 11,746 3,747 3,748 1,752 2,753 2,755 1,768 12,769 1,772 3,775 1,778 2,780 1,781 1,785 1,786 1,789 12,790 7,791 2,792 8,797 4,803 1,804 4,816 1,823 2,855 2,859 1,862 21,868 1,871 1,872 1,886 12.1,888 1,891 1,892 2,893 11.5,894 6.133,895 4.833,896 1.629,898 2.976,899 1.472,900 0.906,901 4.819,902 9.286,903 3.466,904 4.043,905 4.554,906 5.026,907 5.494,908 5.605,909 5.808,910 5.902,911 6.192,912 6.729,913 0.857,914 30,915 7.645,917 3.148,918 8.278,919 13.723,921 10.296,924 2.778,925 58.333,929 117.711,930 89.873,931 57.007,933 104.43,936 89.873,937 222.141,938 57.007,939 16.553,941 47.381,942 109.947,943 47.896,944 2.328,945 94.169,946 50.747,947 117.711,948 146.88,949 104.43,952 117.711,953 53.683,954 50.747,956 25.71,957 71.778,958 49.391,960 117.711,961 161.437,962 89.873,965 117.711,966 13.514,967 82.029,968 17.888,969 137.879,970 117.711,971 161.437,972 89.873,973 0.571,974 0.338,975 0.163,976 0.079,977 12,978 6,979 0.147,980 5,982 1,983 3.372,984 144.933,986 12,987 90.239,993 14.906,994 6.789,995 3.749,997 155.767,998 8.865,999 3.834,1003 1.021,1005 60.572,1006 369.021,1007 31,1010 -0.533,1013 20.97,1015 1.39,1016 3.9,1020 34.251,1021 37.492,1022 0.356,1023 0.76,1024 0.89,1025 0.959,1026 0.959,1027 0.959,1028 4.654,1029 1,1030 5.416,1031 2.501,1032 4.078,1033 4.727,1034 2.616,1035 6.163,1036 3.988,1037 5.862,1038 0.647,1039 6.95,1040 2.275,1041 3.611,1042 4.527,1043 2.361,1044 7.002,1045 3.474,1046 7.161,1047 0.152,1048 8.585,1049 1.19,1050 5.617,1051 6.919,1052 4.172,1053 10.016,1054 5.443,1055 8.499,1056 -0.25,1057 10.28,1058 0.308,1059 5.969,1060 7.524,1061 4.506,1062 11.656,1063 5.738,1064 9.865,1065 -0.558,1066 12.011,1067 -0.504,1068 7.433,1069 9.382,1070 5.95,1071 14.184,1072 7.179,1073 11.251,1074 -0.849,1075 13.767,1076 -1.187,1077 8.157,1078 10.358,1079 6.556,1080 16.148,1081 7.845,1082 12.652,1083 -1,1084 15.539,1085 -1.906,1086 9.396,1087 11.983,1088 7.795,1089 18.508,1090 9.061,1091 2.974,1092 -1,1093 17.324,1094 -2,1095 10.297,1096 13.146,1097 8.548,1098 20.62,1099 9.908,1100 2.784,1101 9.65,1102 19.119,1103 -3,1104 11.437,1105 14.657,1106 9.67,1107 22.916,1108 11.022,1109 2.373,1110 8.227,1111 20.921,1112 4.02,1113 12.424,1114 15.918,1115 10.509,1116 25.099,1117 11.96,1118 2.079,1119 6.794,1120 22.729,1121 3.951,1122 13.524,1123 17.371,1124 11.563,1125 27.371,1126 13.028,1127 1.414,1128 6.127,1129 24.542,1130 3.245,1131 14.553,1132 18.685,1133 12.452,1134 29.591,1135 14.011,1136 1.37,1137 3.208,1138 26.36,1139 2.724,1140 15.635,1141 20.107,1142 13.468,1143 31.854,1144 15.059,1145 1.108,1146 3.079,1147 28.181,1148 2.098,1149 16.686,1150 21.451,1151 14.386,1152 34.092,1153 16.066,1154 4582,1155 9270,1156 14.216,1157 21.886,1158 32,1159 33.417,1160 33.367,1161 31.799,1162 31.805,1163 44.186,1164 6.945,1165 86.715,1166 30.307,1167 5.057,1168 5.778,1169 6,1170 4.978,1171 4.974,1172 7.02,1173 4.612,1174 16.401,1175 4.855,1176 11.68,1177 1.455,1178 1.519,1179 1.517,1180 1.445,1181 1.446,1182 2.008,1183 0.316,1184 3.942,1185 1.378,1186 3.979,1187 4.015,1188 3.947,1189 3.853,1190 7.815,1191 3.862,1192 3.911,1193 3.929,1194 3.871,1195 3.767,1196 6.999,1197 3.789,1198 3.518,1199 3.566,1200 3.492,1201 3.147,1202 6.468,1203 3.207,1204 3.306,1205 3.357,1206 3.215,1207 2.994,1208 4.941,1209 3.051,1210 3.177,1211 3.253,1212 3.014,1213 2.916,1214 4.781,1215 2.93,1216 2.902,1217 2.936,1218 2.781,1219 2.643,1220 4.583,1221 2.657,1222 2.769,1223 2.851,1224 2.627,1225 2.557,1226 4.291,1227 2.568,1228 2.747,1229 2.82,1230 2.599,1231 2.485,1232 3.812,1233 2.531,1234 0.198,1235 0.172,1236 0.291,1237 0.179,1238 0.135,1239 4.349,1240 0.183,1241 3.778,1242 0.119,1243 6.391,1244 0.439,1245 3.935,1246 0.13,1247 2.974,1248 4.02,1249 2.612,1250 9.65,1251 2.855,1252 1.893,1253 1.874,1254 1.981,1255 2.079,1256 1.068,1257 2.028,1258 1.844,1259 1.81,1260 1.929,1261 1.991,1262 0.954,1263 1.978,1264 1.297,1265 1.239,1266 1.577,1267 1.701,1268 0.577,1269 1.606,1270 1.19,1271 1.129,1272 1.406,1273 1.529,1274 0.358,1275 1.528,1276 1.084,1277 1.031,1278 1.217,1279 1.395,1280 0.203,1281 1.367,1282 0.798,1283 0.756,1284 1.024,1285 1.123,1286 0.057,1287 1.085,1288 0.735,1289 0.655,1290 1.009,1291 0.988,1293 1.008,1294 0.675,1295 0.608,1296 0.901,1297 0.961,1299 0.971,1300 3.807,1302 5.081,1304 6.558,1306 8.122,1308 9.728,1310 1.453,1314 9.849,1317 2.608,1318 4.978,1326 22.052,1327 59.34,1328 126.449,1329 148.1,1330 159.71,1331 159.71,1332 159.71,1333 42.44,1334 6.31,1335 112.56,1336 112.56,1337 12,1338 11.863,1339 4,1340 3.322,1341 39.662,1342 79,1343 65,1344 0.249,1345 140.427,1346 244.98,1347 334.402,1348 4130,1350 15.242,1351 0.726,1352 0.526,1353 15.242,1354 11.055,1355 10.113,1356 0.46,1357 0.267,1358 5.722,1359 9.442,1360 5.61,1361 4.709,1362 10.113,1363 5.87,1364 8.674,1365 0.299,1366 0.135,1367 8.674,1368 3.927,1369 7.183,1370 0.2,1371 0.072,1372 7.183,1373 2.592,1374 5.348,1375 0.134,1376 0.038,1377 5.348,1378 1.536,1379 3.822,1380 0.085,1381 0.02,1382 3.822,1383 0.914,1384 0.401,1385 65.68,1386 0.265,1387 21.31,1388 0.651,1389 102,1390 424.624,1391 118.044,1392 400.559,1393 523.39,1394 368,1395 116,1396 377.505,1397 132.546,1398 374.622,1399 530.97,1400 347,1401 5.512}
{0 CHEMBL1373116,1 2.159,2 11.143,3 4.443,4 19.743,5 99.3,6 10.786,7 0.367,8 3.852,9 3.912,10 3.877,11 3.425,12 5.118,13 3.429,14 4.4,15 4.495,16 4.275,17 3.776,18 6.376,19 3.775,20 4.463,21 4.577,22 4.137,23 3.858,24 5.842,25 3.826,26 4.593,27 4.724,28 4.245,29 3.84,30 6.105,31 3.837,32 4.623,33 4.768,34 4.248,35 3.768,36 6.363,37 3.782,38 4.445,39 4.586,40 4.014,41 3.666,42 5.945,43 3.672,44 4.349,45 4.482,46 3.845,47 3.652,48 5.841,49 3.586,50 4.39,51 4.586,52 3.655,53 3.545,54 5.727,55 3.468,56 0.323,57 0.841,58 4.595,59 4.023,60 57.819,61 2.918,62 1.349,63 1.555,64 10.206,65 6.641,66 182.082,67 5.277,68 0.772,69 1.248,70 15.924,71 8.053,72 106.665,73 6.584,74 1.087,75 1.395,76 18.946,77 8.698,78 154.847,79 6.135,80 1.427,81 1.454,82 21.772,83 8.875,84 232.889,85 6.563,86 1.095,87 1.2,88 16.912,89 7.422,90 176.221,91 5.231,92 0.815,93 1.046,94 16.506,95 7.285,96 96.056,97 5.982,98 1.02,99 1.008,100 18.772,101 7.664,102 155.68,103 7.352,104 52,105 45,106 0.378,107 0.708,108 0.796,109 0.846,110 0.846,111 0.846,112 3.374,113 0.984,114 -3.19,115 -3.18,116 -3.06,120 40,125 1,134 1,136 1,139 1,143 6,145 2,152 1,153 1,158 1,159 1,174 3,176 6,177 4,180 1,182 2,185 4,188 1,189 5,192 1,194 3,197 4,201 5,209 1,213 3,214 10,217 4,222 2,227 7,232 2,235 2,239 1,240 7,245 1,251 1,252 7,260 4,271 6,274 1254,275 17.712,276 17.712,277 17.712,278 17.712,279 17.712,280 15.655,281 21.694,282 10.082,283 18.458,284 14.803,285 14.803,286 14.803,287 14.803,288 14.803,289 11.5,290 30.249,291 4.826,292 16.156,293 3.163,294 1.275,295 0.775,296 0.488,297 0.488,298 0.488,299 4.044,306 1,307 1,308 655,309 4.123,312 83.138,313 203.286,320 1.724,321 59.008,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 66,333 312,334 4.888,335 4.437,336 7.392,337 4.448,338 3.468,339 4.675,340 4.032,341 12.796,342 3.399,343 4.214,344 3.718,345 6.455,346 3.901,347 3.139,348 3.725,349 1.058,350 10.195,351 2.714,352 4.168,353 3.383,354 6.163,355 3.731,356 2.763,357 3.672,358 0.4,359 9.001,360 2.568,361 4.067,362 2.865,363 6.101,364 3.676,365 2.733,366 3.393,367 0.394,368 8.797,369 2.493,370 3.877,371 2.764,372 5.452,373 3.447,374 2.484,375 3.102,377 7.237,378 2.253,379 3.395,380 2.349,381 5.087,382 2.992,383 2.057,384 2.644,386 6.208,387 1.888,388 3.254,389 2.13,390 4.679,391 2.698,392 1.765,393 2.479,395 4.619,396 1.635,397 2.854,398 1.94,399 4.432,400 2.404,401 1.417,402 1.822,404 3.975,405 1.382,406 2.5,407 1,408 3.572,409 2,410 1,411 1.5,413 2.275,414 1,415 2.358,416 0.979,417 3.414,418 1.84,419 0.897,420 1.259,422 2.153,423 0.832,424 2.118,425 0.829,426 3.191,427 1.463,428 0.618,429 0.927,431 1.372,432 0.507,433 1.924,434 0.678,435 3.103,436 1.303,437 0.367,438 0.494,440 0.966,441 0.34,442 1.472,443 0.618,444 3.043,445 1.096,446 0.16,447 0.203,449 0.409,450 0.146,451 1,452 0.51,453 3,454 0.557,455 -0.374,456 -0.436,458 -1.163,459 -0.344,460 0.859,461 0.51,462 2.608,463 0.475,464 -0.512,465 -0.637,467 -1.477,468 -0.497,469 13.057,470 0.466,471 1.123,472 0.04,473 36.75,474 1.313,475 18.5,476 0.661,477 18.25,478 0.652,479 21.275,480 0.76,481 31.343,482 0.784,483 32.569,484 1.163,485 7.405,486 0.264,487 5.644,488 0.202,489 0.181,490 0.102,491 0.26,495 3,496 0.602,497 1.056,498 0.708,499 1.177,500 0.658,501 0.883,502 0.264,503 0.531,504 0.709,505 0.708,506 0.326,507 0.785,508 0.668,509 0.81,510 1.121,511 1.172,512 0.582,513 1.124,514 0.997,515 0.92,516 0.903,517 0.976,518 0.976,519 1.053,520 1.121,521 0.924,522 1.037,523 0.904,524 1.197,525 0.903,526 1.226,527 0.916,528 1.093,529 0.931,530 1.226,531 0.969,532 0.642,533 0.643,534 1.363,535 1.229,536 0.686,537 1.343,538 0.864,539 0.725,540 0.998,541 0.881,542 0.895,543 1.139,544 9,545 0.168,546 3.778,547 2.215,548 2.388,549 1.159,550 0.893,551 0.499,552 0.289,553 0.206,554 9347,555 45260,556 1.956,557 30,559 10,560 1,562 1,567 1.71,568 1.768,569 3.407,570 -0.146,572 1,575 86.348,576 2.159,577 4.046,578 4.546,579 4.834,580 4.834,581 4.834,582 2.88,583 4.111,584 4.777,585 3.638,586 1375.05,587 8.304,588 18227.2,590 1,592 1,593 212.877,594 1.796,595 4.685,596 0.3,597 0.009,598 0.084,599 0.053,600 0.057,601 0.028,602 0.026,603 0.017,604 0.012,605 0.009,606 0.594,607 0.33,608 1,609 1.015,610 140.955,611 -0.019,612 -0.154,613 0.133,614 -0.138,615 -0.13,616 -0.016,617 0.62,618 0.473,619 0.11,620 0.223,621 0.491,622 0.049,623 -0.058,624 -0.09,625 -0.177,626 -0.171,627 -0.005,628 -0.147,629 -0.212,630 -0.176,631 -0.009,632 -0.069,633 -0.149,634 -0.1,635 -0.115,636 -0.009,637 -0.022,638 0.068,639 -0.081,640 0.07,641 -0.309,642 -0.033,643 -0.155,644 0.012,645 -0.249,646 -0.002,647 0.03,648 0.063,649 -0.347,650 -0.214,651 -0.003,652 -0.332,653 -0.075,654 -0.021,655 -0.01,656 0.018,657 -0.105,658 0.006,659 6.077,660 5.546,661 0.607,662 26.898,663 1.065,664 1.142,665 1.961,666 3.844,667 0.713,668 3.434,669 3.829,670 3.989,671 4.234,672 4.407,673 4.466,674 4.605,675 4.585,676 4.564,677 4.554,678 6.746,679 0.715,680 431.45,681 3.434,682 5.017,683 5.849,684 6.756,685 7.609,686 8.514,687 9.38,688 10.283,689 11.156,690 12.059,691 7.5,694 1,698 1,700 1,709 7,713 1,714 3,716 11,735 1,738 40,739 16,740 1,741 30,743 42,744 16,745 10,746 2,747 4,748 4,752 3,753 3,768 14,769 2,772 5,776 1,778 3,780 1,781 1,782 3,786 1,787 3,789 12,790 10,791 1,792 12,793 2,797 3,803 1,804 4,822 1,823 2,838 1,845 2,855 3,857 2,859 1,861 3,862 28,865 1,871 1,872 1,875 1,876 1,880 1,885 3,886 10,889 3,891 1,893 15.833,894 7.495,895 5.833,896 2.029,898 2.384,899 1.334,900 0.988,901 5.618,902 9.531,903 3.726,904 4.353,905 4.801,906 5.315,907 5.751,908 5.993,909 6.329,910 6.503,911 6.583,912 6.765,913 1,914 42,915 11.316,917 5.726,918 8.643,919 18.335,921 14.868,924 3.143,925 88,928 1,929 129.482,930 148.62,931 34.709,933 80.458,934 44.88,935 36.847,936 111.773,937 209.94,938 79.589,939 8.396,940 18.011,941 79.552,942 79.676,943 80.579,944 13.13,945 148.989,946 9.817,947 129.482,948 146.482,949 125.338,950 36.847,952 129.482,953 80.458,954 44.88,955 9.817,956 34.709,957 89.723,958 17.802,959 31.278,960 174.362,961 115.167,962 148.62,964 5.569,965 139.299,966 50.854,967 83.898,968 18.011,969 140.518,970 129.482,971 160.047,972 148.62,973 0.606,974 0.321,975 0.165,976 0.088,977 22,978 11,979 0.095,980 4,982 1,983 3.815,984 239.2,986 17,987 123.851,989 1,992 1,993 20.525,994 7.664,995 5.001,997 160.047,998 9.563,1002 1.259,1003 0.274,1005 18.011,1006 438.149,1007 40.5,1011 -4.096,1013 37.009,1015 1.323,1016 3.669,1017 -0.833,1020 42.607,1021 45.683,1022 0.406,1023 0.76,1024 0.854,1025 0.908,1026 0.908,1027 0.908,1028 5.009,1029 1.417,1030 5.932,1031 4.619,1032 4.511,1033 5.04,1034 3.278,1035 6.817,1036 4.366,1037 6.284,1038 1,1039 7.554,1040 3.975,1041 4.511,1042 5.19,1043 4.042,1044 8.145,1045 4.258,1046 7.655,1047 0.897,1048 9.289,1049 2.275,1050 6.275,1051 7.327,1052 5.643,1053 11.11,1054 6.003,1055 9.062,1056 0.618,1057 11.088,1058 2.153,1059 6.995,1060 8.234,1061 6.952,1062 13.164,1063 6.64,1064 10.498,1065 0.367,1066 12.928,1067 1.372,1068 8.356,1069 9.942,1070 8.374,1071 15.794,1072 7.985,1073 11.955,1074 0.16,1075 14.796,1076 0.966,1077 9.356,1078 11.178,1079 9.758,1080 18.124,1081 8.937,1082 13.43,1083 -0.374,1084 16.685,1085 0.409,1086 10.596,1087 12.749,1088 11.156,1089 20.672,1090 10.163,1091 3.468,1092 -0.512,1093 18.59,1094 -1.163,1095 11.713,1096 14.138,1097 12.548,1098 23.119,1099 11.257,1100 3.139,1101 12.796,1102 20.509,1103 -1.477,1104 12.922,1105 15.669,1106 13.943,1107 25.65,1108 12.456,1109 2.763,1110 10.195,1111 22.439,1112 4.675,1113 14.091,1114 17.132,1115 15.337,1116 28.149,1117 13.613,1118 2.733,1119 9.001,1120 24.379,1121 3.725,1122 15.296,1123 18.656,1124 16.732,1125 30.682,1126 14.813,1127 2.484,1128 8.797,1129 26.327,1130 3.672,1131 16.491,1132 20.156,1133 18.126,1134 33.205,1135 16.001,1136 2.057,1137 7.237,1138 28.282,1139 3.393,1140 17.701,1141 21.682,1142 19.52,1143 35.743,1144 17.207,1145 1.765,1146 6.208,1147 30.244,1148 3.102,1149 18.91,1150 23.201,1151 20.915,1152 38.277,1153 18.411,1154 9249,1155 20576,1156 18.781,1157 28.511,1158 47.074,1159 46.27,1160 46.172,1161 45.903,1162 45.736,1163 59.794,1164 11.769,1165 140.004,1166 42.317,1167 5.799,1168 6.437,1169 6.988,1170 5.523,1171 5.468,1172 7.675,1173 5.542,1174 20.787,1175 5.399,1176 18.062,1177 1.569,1178 1.542,1179 1.539,1180 1.53,1181 1.525,1182 1.993,1183 0.392,1184 4.667,1185 1.411,1186 4.082,1187 4.073,1188 4.738,1189 4.031,1190 8.516,1191 3.956,1192 3.909,1193 3.929,1194 4.205,1195 3.828,1196 7.999,1197 3.822,1198 3.785,1199 3.782,1200 3.875,1201 3.805,1202 7.999,1203 3.703,1204 3.498,1205 3.498,1206 3.559,1207 3.325,1208 7.72,1209 3.302,1210 3.376,1211 3.384,1212 3.427,1213 2.982,1214 7.429,1215 3.067,1216 3.12,1217 3.221,1218 3.036,1219 2.897,1220 6.999,1221 2.905,1222 3.039,1223 3.066,1224 2.913,1225 2.774,1226 4.819,1227 2.798,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.749,1233 2.715,1234 0.163,1235 0.148,1236 0.246,1237 0.148,1238 0.116,1239 4.888,1240 0.156,1241 4.437,1242 0.134,1243 7.392,1244 0.427,1245 4.448,1246 0.113,1247 3.468,1248 4.675,1249 4.032,1250 12.796,1251 3.399,1252 1.901,1253 1.892,1254 1.986,1255 2.036,1256 1.077,1257 2.042,1258 1.842,1259 1.836,1260 1.816,1261 1.962,1262 1.029,1263 1.971,1264 1.473,1265 1.441,1266 1.645,1267 1.598,1268 0.718,1269 1.615,1270 1.332,1271 1.349,1272 1.498,1273 1.579,1274 0.618,1275 1.513,1276 1.286,1277 1.3,1278 1.272,1279 1.455,1280 0.442,1281 1.475,1282 1.055,1283 1.042,1284 1.181,1285 1.421,1286 0.264,1287 1.359,1288 1.032,1289 0.96,1290 1.09,1291 1.239,1292 0.218,1293 1.3,1294 0.886,1295 0.821,1296 0.942,1297 1.062,1298 0.147,1299 1.107,1300 4.111,1302 5.485,1303 2.398,1304 7.024,1305 4.443,1306 8.642,1307 6.293,1308 10.307,1310 1.176,1312 36.575,1317 2.434,1318 3.752,1321 0.723,1322 -4.827,1326 28.608,1327 86.348,1328 161.858,1329 181.858,1330 193.367,1331 193.367,1332 193.367,1333 82.892,1334 7.148,1335 88.07,1336 124.69,1337 17,1338 12.585,1339 4.087,1340 3.524,1341 49.796,1342 112,1343 110,1344 0.216,1345 180.873,1346 328.75,1347 433.09,1348 11338,1349 7.5,1350 20.527,1351 0.733,1352 0.562,1353 18.63,1354 15.73,1355 13.049,1356 0.435,1357 0.328,1358 7.56,1359 10.988,1360 7.257,1361 5.977,1362 13.178,1363 9.843,1364 13.55,1365 0.301,1366 0.178,1367 13.101,1368 8.029,1369 9.608,1370 0.181,1371 0.108,1372 11.083,1373 5.733,1374 7.829,1375 0.115,1376 0.057,1377 8.777,1378 3.891,1379 5.891,1380 0.073,1381 0.031,1382 6.828,1383 2.489,1384 0.341,1385 97.027,1386 0.231,1387 26.768,1388 0.589,1389 150,1390 750.619,1391 245.532,1392 672.159,1393 868.55,1394 614,1395 173,1396 566.229,1397 264.006,1398 601.722,1399 900.3,1400 559,1401 4.206}
{0 CHEMBL1373306,1 1.845,2 13.7,3 2.022,4 4.09,5 111.682,6 8.854,7 0.375,8 4.044,9 4.118,10 3.997,11 3.629,12 5.138,13 3.583,14 4.606,15 4.741,16 4.263,17 3.997,18 6.106,19 3.948,20 4.784,21 4.928,22 4.282,23 4.109,24 6.097,25 4.044,26 4.94,27 5.121,28 4.105,29 4.001,30 6.324,31 3.951,32 4.693,33 4.863,34 3.805,35 3.859,36 5.942,37 3.778,38 4.658,39 4.875,40 3.725,41 3.798,42 5.726,43 3.664,44 4.594,45 4.813,46 3.731,47 3.645,48 5.966,49 3.546,50 4.382,51 4.57,52 3.651,53 3.497,54 5.706,55 3.436,56 0.186,57 0.791,58 13.126,59 5.45,60 32.947,61 5.464,62 0.813,63 1.227,64 20.184,65 8.546,66 101.77,67 9.267,68 0.526,69 1.435,70 33.382,71 12.031,72 54.797,73 12.441,74 1.257,75 1.445,76 38.1,77 11.389,78 170.154,79 11.575,80 0.777,81 1.174,82 25.715,83 9.206,84 113.957,85 9.755,86 0.663,87 1.122,88 27.953,89 9.822,90 95.531,91 11.848,92 0.928,93 0.99,94 27.388,95 8.954,96 140.06,97 11.052,98 0.648,99 0.833,100 20.465,101 6.992,102 76.799,103 7.983,104 52,105 47,106 0.306,107 0.6,108 0.737,109 0.802,110 0.826,111 0.826,112 3.439,113 1.114,114 -3.4,115 -3.38,116 -3.23,120 37.3,122 1,125 2,126 2,143 8,144 2,145 2,159 2,174 8,176 7,177 4,180 1,182 2,185 8,189 16,194 1,197 4,201 18,204 3,206 2,209 2,214 5,219 1,222 3,226 1,227 3,230 1,232 1,235 4,239 6,240 1,245 2,247 1,251 3,252 4,257 2,260 1,264 7,271 3,274 1446,275 19.332,276 19.332,277 19.332,278 19.332,279 19.332,280 17.141,281 19.686,282 11.124,283 19.854,284 15.723,285 15.723,286 15.723,287 15.723,288 15.723,289 12.094,290 20.396,291 5.187,292 16.573,293 3.828,294 2.059,295 1.236,296 0.844,297 0.696,298 0.696,299 4.113,306 1,307 1,308 866,309 4.743,312 79.175,313 208.54,316 146.833,320 2.14,321 56.008,324 1,325 0.67,326 0.83,327 0.8,329 1,330 1,331 0.76,332 67.5,333 411,334 4.973,335 4.729,336 7.616,337 4.446,338 3.519,339 4.858,340 1.674,341 13.28,342 3.24,343 4.918,344 4.72,345 7.471,346 4.404,347 3.483,348 4.753,349 0.721,350 13.238,351 3.181,352 4.136,353 3.657,354 6.056,355 3.77,356 2.778,357 3.662,358 0.4,359 8.555,360 2.744,361 3.951,362 2.916,363 6.024,364 3.485,365 2.519,366 3.463,368 8.535,369 2.431,370 3.451,371 2.372,372 5.335,373 3.004,374 2.042,375 2.739,377 5.91,378 1.954,379 3.417,380 2.19,381 5.209,382 2.96,383 1.997,384 2.711,386 5.725,387 1.913,388 2.854,389 2.068,390 4.282,391 2.626,392 1.679,393 1.908,395 3.978,396 1.585,397 2.754,398 1.944,399 3.924,400 2.345,401 1.385,402 1.844,404 3.2,405 1.314,406 2.636,407 1.454,408 3.813,409 2.23,410 1.247,411 1.648,413 2.859,414 1.22,415 2.511,416 1.367,417 3.628,418 2.07,419 1.111,420 1.5,422 2.717,423 1.061,424 2.5,425 1.26,426 3.545,427 2,428 1,429 1.456,431 2.486,432 1,433 2.439,434 1.055,435 3.414,436 1.983,437 1,438 1.343,440 2.275,441 0.977,442 1.864,443 1,444 3.135,445 1.556,446 0.609,447 0.717,449 1.354,450 0.569,451 1.123,452 0.507,453 2.821,454 0.801,455 -0.133,456 -0.15,458 -0.31,459 -0.123,460 1,461 0.224,462 2.661,463 0.496,464 -0.479,465 -0.672,467 -1.242,468 -0.462,469 14.367,470 0.479,471 1.046,472 0.035,473 40,474 1.333,475 21,476 0.7,477 19,478 0.633,479 22.791,480 0.76,481 33.633,482 0.659,483 34.031,484 1.134,485 7.81,486 0.26,487 6.316,488 0.211,489 0.186,490 0.116,491 0.237,496 0.519,497 1.486,498 0.824,499 1.408,500 0.654,501 1.002,502 0.638,503 0.827,504 0.73,505 0.737,506 0.525,507 0.783,508 0.896,509 1.359,510 1.214,511 1.393,512 0.737,513 1.096,514 1.571,515 0.88,516 1.137,517 0.845,518 1.52,519 0.931,520 1.369,521 1.031,522 1.135,523 0.992,524 1.302,525 1.194,526 0.728,527 1.01,528 0.881,529 1.041,530 0.828,531 1.173,532 0.562,533 0.912,534 0.719,535 0.896,536 0.618,537 0.973,538 0.9,539 1.031,540 0.836,541 0.945,542 0.792,543 0.973,544 8,545 0.205,546 5.333,547 3.236,548 1.227,549 0.969,550 0.542,551 0.346,552 0.245,553 0.281,554 13237,555 47519,556 1.959,557 41.2,559 18,562 1,565 2,567 1.719,568 1.782,569 3.661,570 -0.217,572 1,575 94.08,576 1.845,577 3.613,578 4.437,579 4.829,580 4.976,581 4.976,582 3.059,583 4.348,584 4.885,585 3.926,586 1708.01,587 8.463,588 25922,590 1,593 289.294,594 1.753,595 4.792,596 0.25,597 0.008,598 0.113,599 0.066,600 0.031,601 0.032,602 0.022,603 0.013,604 0.01,605 0.012,606 0.557,607 0.33,608 0.88,609 0.981,610 159.119,611 0.093,612 -0.251,613 0.269,614 -0.161,615 -0.139,616 -0.003,617 0.262,618 0.284,619 0.142,620 0.218,621 0.255,622 0.137,623 -0.066,624 -0.291,625 -0.102,626 -0.244,627 0.051,628 -0.081,629 -0.306,630 0.067,631 -0.19,632 0.05,633 -0.225,634 -0.017,635 -0.323,636 -0.072,637 -0.309,638 -0.119,639 -0.256,640 -0.261,641 0.046,642 -0.105,643 -0.011,644 -0.137,645 -0.079,646 -0.142,647 0.386,648 -0.057,649 0.169,650 -0.018,651 0.243,652 0.047,653 0.133,654 -0.114,655 0.061,656 -0.048,657 0.068,658 0.001,659 4.589,660 5.102,661 0.5,662 31.28,663 1.027,664 1.124,665 2.166,666 4.691,667 0.684,668 3.497,669 3.871,670 4.111,671 4.277,672 4.419,673 4.419,674 4.5,675 4.369,676 4.19,677 4.159,678 8.335,679 0.656,680 451.57,681 3.497,682 5.069,683 5.922,684 6.817,685 7.692,686 8.591,687 9.474,688 10.375,689 11.264,690 12.165,691 5.9,693 1,694 1,700 1,709 8,714 4,716 12,726 1,738 51,739 18,740 2,741 32,743 53,744 19,745 12,746 4,747 8,748 2,752 3,753 4,766 1,768 14,769 5,772 6,776 2,778 5,781 1,782 2,786 1,789 21,790 9,791 1,792 11,793 2,797 3,799 1,803 0.667,804 6,822 1,823 2,826 1,849 1,855 2,857 2,859 2,862 30,865 1,866 1,869 3,871 1,872 1,875 1,886 11.8,889 5,891 1,893 16.833,894 9.65,895 6.458,896 2.808,898 2.648,899 1.36,900 0.975,901 6.509,902 9.996,903 3.807,904 4.454,905 4.963,906 5.428,907 5.904,908 6.085,909 6.428,910 6.26,911 6.17,912 5.792,913 0.889,914 49,915 11.586,917 5.463,918 8.244,919 20.598,921 17.055,924 2.744,925 82.333,929 235.422,930 132.442,931 34.709,933 124.771,935 11.615,936 120.827,937 360.193,938 34.709,939 16.793,940 9.233,941 105.436,942 123.29,943 37.171,945 235.422,947 235.422,948 155.536,949 124.771,950 11.615,952 211.88,953 148.313,956 43.942,957 111.595,958 11.615,960 235.422,961 159.48,962 132.442,964 11.615,965 235.422,966 28.224,967 94.121,968 18.011,969 139.95,970 235.422,971 159.48,972 132.442,973 0.6,974 0.353,975 0.167,976 0.085,977 22,978 11,979 0.17,980 9,981 1,982 1.133,983 4.118,984 250.587,985 0.133,986 15,987 137.207,992 2,993 22.286,994 8.762,995 4.858,997 159.48,998 12.029,1003 1.002,1005 18.011,1006 527.344,1007 44,1011 -7.235,1013 60.149,1016 3.727,1017 -0.301,1020 52.374,1021 57.328,1022 0.325,1023 0.637,1024 0.782,1025 0.851,1026 0.877,1027 0.877,1028 5.075,1029 1.385,1030 5.989,1031 3.978,1032 4.554,1033 5.142,1034 2.075,1035 6.907,1036 4.448,1037 6.354,1038 1.247,1039 7.641,1040 3.2,1041 4.511,1042 5.434,1044 8.357,1045 4.305,1046 7.748,1047 1.111,1048 9.42,1049 2.859,1050 6.333,1051 7.557,1052 2.851,1053 11.4,1054 6.085,1055 9.194,1056 1,1057 11.277,1058 2.717,1059 7.099,1060 8.655,1062 13.632,1063 6.731,1064 10.679,1065 1,1066 13.182,1067 2.486,1068 8.507,1069 10.38,1070 3.815,1071 16.331,1072 8.086,1073 12.192,1074 0.609,1075 15.118,1076 2.275,1077 9.578,1078 11.77,1080 18.804,1081 9.04,1082 13.726,1083 -0.133,1084 17.077,1085 1.354,1086 10.865,1087 13.382,1088 4.826,1089 21.418,1090 10.258,1091 3.519,1092 -0.479,1093 19.05,1094 -0.31,1095 12.049,1096 14.88,1098 23.966,1099 11.333,1100 3.483,1101 13.28,1102 21.035,1103 -1.242,1104 13.303,1105 16.46,1106 5.851,1107 26.558,1108 12.507,1109 2.778,1110 13.238,1111 23.028,1112 4.858,1113 14.527,1114 18,1116 29.13,1117 13.631,1118 2.519,1119 8.555,1120 25.028,1121 4.753,1122 15.776,1123 19.571,1124 6.88,1125 31.716,1126 14.792,1127 2.042,1128 8.535,1129 27.033,1130 3.662,1131 17.016,1132 21.128,1134 34.297,1135 15.937,1136 1.997,1137 5.91,1138 29.041,1139 3.463,1140 18.264,1141 22.698,1142 7.91,1143 36.882,1144 17.097,1145 1.679,1146 5.725,1147 31.053,1148 2.739,1149 19.511,1150 24.263,1152 39.465,1153 18.252,1154 12939,1155 24714,1156 20.167,1157 34.892,1158 49.059,1159 51.522,1160 50.53,1161 48.813,1162 48.737,1163 65.201,1164 5.591,1165 148.223,1166 46.378,1167 5.924,1168 6.729,1169 7.382,1170 5.532,1171 5.519,1172 7.858,1173 3.349,1174 21.05,1175 5.24,1176 19.569,1177 1.533,1178 1.61,1179 1.579,1180 1.525,1181 1.523,1182 2.038,1183 0.175,1184 4.632,1185 1.449,1186 4.149,1187 4.131,1188 4.766,1189 4.133,1190 7.722,1191 4.055,1192 4.079,1193 4.056,1194 4.737,1195 4.066,1196 7.713,1197 3.981,1198 3.747,1199 3.757,1200 3.785,1201 3.627,1202 7.433,1203 3.583,1204 3.621,1205 3.683,1206 3.674,1207 3.491,1208 6.999,1209 3.453,1210 3.558,1211 3.547,1212 3.49,1213 3.452,1214 6.999,1215 3.409,1216 3.301,1217 3.336,1218 3.218,1219 3.059,1220 4.789,1221 3.071,1222 3.174,1223 3.211,1224 3.082,1225 2.966,1226 4.674,1227 2.953,1228 3.01,1229 3.016,1230 2.969,1231 2.799,1232 4.439,1233 2.801,1234 0.155,1235 0.148,1236 0.238,1237 0.139,1238 0.11,1239 4.973,1240 0.152,1241 4.729,1242 0.052,1243 7.616,1244 0.415,1245 4.446,1246 0.101,1247 3.519,1248 4.858,1249 1.674,1250 13.28,1251 3.24,1252 1.97,1253 1.979,1254 1.992,1255 2.043,1256 1.203,1257 2.077,1258 1.911,1259 1.913,1260 1.977,1261 1.967,1262 1.184,1263 1.994,1264 1.661,1265 1.634,1266 1.874,1267 1.874,1268 1.129,1269 1.89,1270 1.59,1271 1.588,1272 1.75,1273 1.792,1274 0.875,1275 1.81,1276 1.486,1277 1.488,1278 1.425,1279 1.658,1280 0.616,1281 1.688,1282 1.199,1283 1.161,1284 1.417,1285 1.448,1286 0.497,1287 1.449,1288 1.098,1289 1.058,1290 1.212,1291 1.312,1292 0.469,1293 1.347,1294 0.934,1295 0.885,1296 1.181,1297 1.239,1298 0.424,1299 1.308,1300 4.174,1302 5.533,1303 2.398,1304 7.084,1305 4.949,1306 8.719,1307 7.209,1308 10.398,1310 2.855,1315 0.89,1317 2.95,1318 5.179,1321 1.089,1326 33.468,1327 94.08,1328 184.274,1329 226.274,1330 246.274,1331 253.784,1332 253.784,1333 91.646,1334 7.348,1335 122.21,1336 138.97,1337 17,1338 12.689,1339 4.248,1340 3.7,1341 56.011,1342 156,1343 114,1344 0.174,1345 214.048,1346 380.02,1347 514.037,1348 17134,1350 21.941,1351 0.731,1352 0.601,1353 22.441,1354 18.034,1355 14.126,1356 0.441,1357 0.371,1358 9.087,1359 11.883,1360 8.6,1361 7.157,1362 15.736,1363 11.887,1364 13.711,1365 0.292,1366 0.221,1367 16.396,1368 10.364,1369 11.068,1370 0.184,1371 0.125,1372 13.558,1373 7.511,1374 8.178,1375 0.115,1376 0.068,1377 10.055,1378 4.831,1379 6.206,1380 0.076,1381 0.038,1382 7.722,1383 3.131,1384 0.288,1385 105.895,1386 0.223,1387 29.141,1388 0.441,1389 158,1390 581.757,1391 254.496,1392 589.565,1393 779.29,1394 536,1395 186,1396 501.144,1397 296.826,1398 580.399,1399 847.25,1400 539,1401 4.586}
{0 CHEMBL1373574,1 1.681,2 10.917,3 3.87,4 14.975,5 98.829,6 7.852,7 0.462,8 3.881,9 4.002,10 3.495,11 3.413,12 4.97,13 3.385,14 4.417,15 4.599,16 3.852,17 3.769,18 5.476,19 3.729,20 4.657,21 4.869,22 3.93,23 3.959,24 5.669,25 3.863,26 4.7,27 4.914,28 3.871,29 3.986,30 5.659,31 3.835,32 4.727,33 4.969,34 3.769,35 3.945,36 5.636,37 3.774,38 4.639,39 4.887,40 3.553,41 3.84,42 5.483,43 3.66,44 4.569,45 4.861,46 3.518,47 3.683,48 5.445,49 3.49,50 4.351,51 4.65,52 3.405,53 3.434,54 5.245,55 3.269,56 0.024,57 0.709,58 8.627,59 3.982,60 5.535,61 5.054,62 0.23,63 1.15,64 18.157,65 6.125,66 20.479,67 8.122,68 0.343,69 1.423,70 25.072,71 8.971,72 32.157,73 11.222,74 0.27,75 1.421,76 29.67,77 10.559,78 36.567,79 12.686,80 0.439,81 1.366,82 33.614,83 10.773,84 43.548,85 13.418,86 0.309,87 1.221,88 26.779,89 9.858,90 32.825,91 12.767,92 0.274,93 1.159,94 26.349,95 9.275,96 40.08,97 12.573,98 0.282,99 0.911,100 22.947,101 7.154,102 30.02,103 9.405,104 11,105 35,106 0.293,107 0.564,108 0.677,109 0.773,110 0.823,111 0.823,112 3.228,113 0.955,114 -4.21,115 -4.15,116 -3.92,120 40.9,125 1,126 4,143 8,145 4,160 1,174 5,177 2,180 1,182 2,185 4,188 2,189 4,194 2,197 3,201 4,214 3,217 1,226 1,227 2,240 3,245 1,252 2,255 1,257 2,269 1,271 2,274 780,275 16.37,276 16.37,277 16.37,278 16.37,279 16.37,280 14.736,281 22.049,282 9.713,283 16.956,284 12.753,285 12.753,286 12.753,287 12.753,288 12.753,289 10.296,290 29.945,291 4.516,292 13.662,293 3.778,294 2.228,295 1.58,296 1.034,297 0.744,298 0.744,299 3.911,305 1,306 1,307 1,308 558,309 2.828,313 254.904,320 1.847,321 19.772,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52,333 262,334 4.296,335 3.892,336 6.5,337 3.968,338 3.029,339 3.862,340 1.803,341 10.166,342 2.846,343 4.084,344 3.276,345 6.05,346 3.724,347 2.813,348 3.633,349 0.86,350 8.693,351 2.582,352 3.868,353 2.921,354 5.4,355 3.495,356 2.547,357 3.106,358 0.8,359 7.087,360 2.387,361 3.409,362 2.64,363 5.205,364 3.096,365 2.176,366 2.644,367 0.566,368 6.217,369 1.991,370 3.283,371 2.417,372 4.893,373 2.939,374 2.013,375 2.432,376 0.076,377 5.682,378 1.85,379 2.917,380 2.234,381 4.175,382 2.463,383 1.502,384 2.085,386 3.663,387 1.437,388 2.72,389 1.675,390 3.903,391 2.299,392 1.37,393 1.737,395 3.163,396 1.263,397 2.5,398 1.22,399 3.591,400 2,401 1.02,402 1.5,404 2.647,405 1,406 2.329,407 1.146,408 3.414,409 1.967,410 1,411 1.26,413 2.275,414 0.965,415 2,416 1,417 3.414,418 1.954,419 1,420 1,422 2.275,423 0.944,424 1.641,425 0.939,426 2.815,427 1.358,428 0.482,429 0.544,431 0.751,432 0.418,433 1.399,434 0.811,435 2.687,436 0.982,437 0.087,438 0.105,440 0.194,441 0.076,442 0.88,443 0.255,444 2.315,445 0.604,446 -0.328,447 -0.368,449 -0.686,450 -0.303,451 0.705,452 -0.034,453 2,454 0.231,455 -0.659,456 -0.798,458 -1.548,459 -0.549,460 0.58,461 -0.378,462 2,463 0.14,464 -0.763,465 -0.95,467 -1.65,468 -0.692,469 11.652,470 0.486,471 0.503,472 0.021,473 30.25,474 1.26,475 14.5,476 0.604,477 15.75,478 0.656,479 18.569,480 0.774,481 26.148,482 0.594,483 21.236,484 0.885,485 6.323,486 0.263,487 5.346,488 0.223,489 0.139,491 0.283,494 1,496 0.75,497 1.219,498 0.652,499 0.977,500 0.546,501 0.961,502 1.034,503 1.054,504 0.762,505 0.869,506 0.592,507 0.884,508 1.019,509 0.956,510 0.957,511 0.9,512 0.875,513 0.966,514 0.953,515 1.057,516 1.279,517 1.223,518 0.859,519 1.177,520 0.78,521 0.763,522 1.304,523 1.143,524 0.545,525 1.058,526 0.723,527 0.887,528 1.016,529 1.038,530 0.639,531 1.131,532 0.347,533 0.851,534 0.656,535 0.915,536 0.365,537 0.948,538 0.617,539 0.771,540 0.741,541 0.78,542 0.57,543 0.709,544 4.5,545 0.062,546 2.889,547 1.375,548 1.147,549 0.667,550 0.422,551 0.311,552 0.209,553 0.121,554 6740,555 19885,556 2.064,557 45.5,559 19,562 1,567 1.664,568 1.946,569 3.412,570 -0.301,572 1,575 73.963,576 1.681,577 3.231,578 3.88,579 4.425,580 4.715,581 4.715,582 2.907,583 4.054,584 4.555,585 3.583,586 988.826,587 7.836,588 11895.6,590 1,592 1,593 240.215,594 1.347,595 4.522,596 0.173,597 0.004,598 0.083,599 0.038,600 0.037,601 0.024,602 0.018,603 0.016,604 0.012,605 0.008,606 0.412,607 0.67,608 1,609 0.757,610 115.674,611 -0.03,612 -0.21,613 0.035,614 -0.092,615 -0.02,616 -0.033,617 -0.082,618 -0.079,619 0.034,620 -0.012,621 0.044,622 0.018,623 -0.069,624 0.055,625 -0.05,626 0.028,627 -0.026,628 -0.029,629 -0.122,630 -0.116,631 -0.176,632 -0.149,633 -0.107,634 -0.188,635 -0.018,636 0.057,637 -0.139,638 -0.058,639 -0.024,640 -0.058,641 -0.013,642 -0.077,643 -0.092,644 -0.08,645 -0.049,646 -0.128,647 0.215,648 -0.084,649 0.258,650 0.016,651 0.215,652 0.081,653 0.15,654 0.044,655 0.33,656 0.202,657 0.145,658 0.301,659 1.92,660 4.958,661 0.75,662 22.208,663 1.004,664 1.13,665 2.979,666 8.876,667 0.68,668 3.296,669 3.584,670 3.829,671 4.025,672 4.234,673 4.174,674 4.277,675 4.331,676 4.344,677 4.317,678 6.44,679 0.638,680 345.48,681 3.296,682 4.812,683 5.645,684 6.5,685 7.348,686 8.205,687 9.058,688 9.916,689 10.772,690 11.631,691 6.8,697 1,698 2,709 8,714 4,716 12,732 1,735 1,737 1,738 44,739 13,740 2,741 26,743 46,744 18,745 12,746 4,747 8,752 3,753 3,757 1,768 13,769 5,772 1,779 1,782 1,786 1,787 1,789 20,790 5,791 1,792 6,793 1,797 3,803 1,804 1,823 3,855 3,857 1,859 1,861 1,862 24,869 4,871 1,872 1,875 2,885 1,886 2.3,891 1,893 12.333,894 8.043,895 5.417,896 2.529,898 2.048,899 1.296,900 0.978,901 5.66,902 8.968,903 3.526,904 4.043,905 4.522,906 4.972,907 5.424,908 5.312,909 5.494,910 5.625,911 5.703,912 5.866,913 1,914 36,915 8.846,917 3.652,918 7.75,919 16.96,921 13.575,924 2.25,925 54,928 1,929 223.651,930 160.47,931 24.259,933 11,934 14.96,935 45.192,936 115.278,937 234.651,938 39.219,939 10.883,940 29.558,941 75.81,943 34.002,944 15.245,945 223.651,946 45.192,947 223.651,948 139.538,949 25.96,950 45.192,952 238.611,953 11,956 29.558,957 109.98,959 45.192,960 238.611,961 35.259,962 160.47,965 223.651,966 28.585,967 92.942,968 18.011,969 71.152,970 223.651,971 50.219,972 160.47,973 0.572,974 0.339,975 0.177,976 0.097,977 16,978 7,979 0.065,980 3,982 1,983 3.677,984 186.285,986 18,987 102.039,990 1,993 17.145,994 7.923,995 4.247,997 50.219,998 14.256,1003 2.542,1005 18.011,1006 434.341,1007 33,1014 5.471,1017 0.668,1020 44.174,1021 49.701,1022 0.308,1023 0.592,1024 0.711,1025 0.811,1026 0.864,1027 0.864,1028 4.745,1029 1.02,1030 5.609,1031 3.163,1032 4.263,1033 4.727,1034 2.253,1035 6.375,1036 4.13,1037 5.909,1038 1,1039 7.143,1040 2.647,1041 3.761,1042 4.369,1043 1.494,1044 7.209,1045 3.495,1046 7.186,1047 1,1048 8.775,1049 2.275,1050 5.814,1051 6.785,1052 2.836,1053 10.266,1054 5.549,1055 8.493,1056 0.482,1057 10.467,1058 2.275,1059 6.133,1060 7.212,1061 2.73,1062 11.939,1063 5.727,1064 9.832,1065 0.087,1066 12.197,1067 0.751,1068 7.635,1069 9.116,1070 3.77,1071 14.503,1072 7.233,1073 11.19,1074 -0.328,1075 13.954,1076 0.194,1077 8.34,1078 9.919,1079 3.984,1080 16.526,1081 7.81,1082 12.564,1083 -0.659,1084 15.731,1085 -0.686,1086 9.604,1087 11.587,1088 4.84,1089 18.921,1090 9.063,1091 3.029,1092 -0.763,1093 17.522,1094 -1.548,1095 10.5,1096 12.595,1097 5.219,1098 21.099,1099 9.85,1100 2.813,1101 10.166,1102 19.325,1103 -1.65,1104 11.659,1105 14.134,1106 5.964,1107 23.433,1108 10.981,1109 2.547,1110 8.693,1111 21.138,1112 3.862,1113 12.65,1114 15.265,1115 6.434,1116 25.68,1117 11.879,1118 2.176,1119 7.087,1120 22.957,1121 3.633,1122 13.764,1123 16.727,1124 7.114,1125 27.994,1126 12.953,1127 2.013,1128 6.217,1129 24.784,1130 3.106,1131 14.803,1132 17.933,1133 7.634,1134 30.274,1135 13.911,1136 1.502,1137 5.682,1138 26.615,1139 2.644,1140 15.899,1141 19.348,1142 8.276,1143 32.583,1144 14.958,1145 1.37,1146 3.663,1147 28.451,1148 2.432,1149 16.963,1150 20.602,1151 8.825,1152 34.879,1153 15.949,1154 6545,1155 11359,1156 17.394,1157 29.909,1158 38.432,1159 39.819,1160 39.488,1161 38.156,1162 38.081,1163 47.818,1164 8.211,1165 105.626,1166 35.516,1167 5.296,1168 5.892,1169 6.192,1170 5.035,1171 5.029,1172 6.862,1173 3.18,1174 16.901,1175 4.846,1176 10.942,1177 1.478,1178 1.532,1179 1.519,1180 1.468,1181 1.465,1182 1.839,1183 0.316,1184 4.063,1185 1.366,1186 3.978,1187 4.021,1188 4.004,1189 3.869,1190 8.201,1191 3.872,1192 3.899,1193 3.93,1194 3.866,1195 3.817,1196 4.89,1197 3.818,1198 3.726,1199 3.78,1200 3.776,1201 3.584,1202 4.842,1203 3.573,1204 3.295,1205 3.348,1206 3.469,1207 3.217,1208 4.577,1209 3.148,1210 3.249,1211 3.315,1212 3.063,1213 2.968,1214 4.394,1215 2.978,1216 3.111,1217 3.206,1218 2.909,1219 2.941,1220 4.195,1221 2.91,1222 2.938,1223 3.013,1224 2.866,1225 2.752,1226 3.674,1227 2.761,1228 2.854,1229 2.925,1230 2.79,1231 2.735,1232 3.64,1233 2.715,1234 0.165,1235 0.15,1236 0.25,1237 0.153,1238 0.116,1239 4.296,1240 0.149,1241 3.892,1242 0.069,1243 6.5,1244 0.391,1245 3.968,1246 0.109,1247 3.029,1248 3.862,1249 1.803,1250 10.166,1251 2.846,1252 1.913,1253 1.881,1254 2.033,1255 2.06,1256 1.297,1257 2.056,1258 1.877,1259 1.85,1260 1.978,1261 1.983,1262 1.051,1263 1.984,1264 1.692,1265 1.632,1266 1.88,1267 1.867,1268 1.023,1269 1.877,1270 1.203,1271 1.163,1272 1.573,1273 1.513,1274 0.825,1275 1.533,1276 1.194,1277 1.123,1278 1.513,1279 1.406,1280 0.574,1281 1.429,1282 1.153,1283 1.064,1284 1.271,1285 1.376,1286 0.436,1287 1.404,1288 0.888,1289 0.823,1290 1.181,1291 1.13,1292 0.218,1293 1.131,1294 0.886,1295 0.821,1296 1.136,1297 1.062,1298 0.204,1299 1.107,1300 3.97,1302 5.263,1304 6.76,1306 8.343,1308 9.966,1310 1.691,1312 12.958,1315 3.382,1317 3.163,1318 5.437,1321 4.431,1326 28.091,1327 73.963,1328 142.161,1329 170.705,1330 194.705,1331 207.46,1332 207.46,1333 36.246,1334 6.92,1335 27.74,1336 59.83,1337 18,1338 12.183,1339 3.807,1340 3,1341 39.508,1342 94,1343 92,1344 0.209,1345 177.469,1346 308.97,1347 424.784,1348 9042,1349 2.3,1350 16.941,1351 0.706,1352 0.598,1353 16.571,1354 14.353,1355 11.669,1356 0.449,1357 0.318,1358 7.761,1359 10.898,1360 7.554,1361 6.245,1362 11.564,1363 8.275,1364 10.13,1365 0.289,1366 0.171,1367 9.879,1368 5.97,1369 8.56,1370 0.19,1371 0.099,1372 8.502,1373 4.448,1374 6.789,1375 0.123,1376 0.056,1377 6.98,1378 3.078,1379 5.546,1380 0.082,1381 0.03,1382 5.469,1383 2.074,1384 0.332,1385 76.44,1386 0.24,1387 23.77,1388 0.557,1389 122,1390 398.33,1391 149.572,1392 380.367,1393 506.54,1394 356,1395 141,1396 350.138,1397 164.693,1398 357.348,1399 518.56,1400 335,1401 4.263}
{0 CHEMBL1373577,1 1.42,2 8,3 3.518,4 12.376,5 79.712,6 7.979,7 0.545,8 3.598,9 3.688,10 3.224,11 3.254,12 4.819,13 3.231,14 4.049,15 4.174,16 3.58,17 3.614,18 5.248,19 3.581,20 4.296,21 4.45,22 3.67,23 3.705,24 5.628,25 3.661,26 4.303,27 4.499,28 3.497,29 3.581,30 5.53,31 3.518,32 4.14,33 4.333,34 3.359,35 3.447,36 5.376,37 3.387,38 4.018,39 4.194,40 3.217,41 3.381,42 5.205,43 3.309,44 3.984,45 4.172,46 3.087,47 3.305,48 5.155,49 3.209,50 3.883,51 4.104,52 2.743,53 3.068,54 4.998,55 2.936,56 0.023,57 0.393,58 5.538,59 2.926,60 7.613,61 3.454,62 0.017,63 0.636,64 9.456,65 4.737,66 9.75,67 5.863,68 0.179,69 0.834,70 13.563,71 5.89,72 41.106,73 7.221,74 0.185,75 0.847,76 15.321,77 6.137,78 37.666,79 7.663,80 0.18,81 0.711,82 13.06,83 5.235,84 34.89,85 6.501,86 0.119,87 0.617,88 10.995,89 4.644,90 25.121,91 5.594,92 0.089,93 0.572,94 10.944,95 4.881,96 22.369,97 6.061,98 0.115,99 0.519,100 10.828,101 4.504,102 27.863,103 5.659,104 10,105 31,106 0.26,107 0.595,108 0.72,109 0.82,110 0.842,111 0.853,112 3.059,113 0.866,114 -4.5,115 -4.42,116 -4.17,120 51.5,121 1,136 1,139 1,143 8,144 3,145 1,158 2,174 11,177 5,182 1,185 13,189 7,192 1,194 1,197 9,201 5,204 1,206 2,209 6,213 1,214 3,219 2,222 9,232 3,235 10,240 2,245 2,247 10,252 2,257 1,260 6,264 1,269 1,271 3,274 480,275 13.43,276 13.43,277 13.43,278 13.43,279 13.43,280 11.47,281 12.609,282 7.869,283 13.494,284 10.839,285 10.839,286 10.839,287 10.839,288 10.839,289 7.886,290 15.506,291 3.747,292 10.949,293 3.624,294 1.796,295 1.114,296 0.568,297 0.447,298 0.387,299 3.737,305 1,306 1,307 1,308 344,309 2.121,313 147.542,317 78.294,320 1.1,321 20.316,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 42.5,333 160,334 4.562,335 3.662,336 6.768,337 4.197,338 3.198,339 4.183,340 0.6,341 11.042,342 3.193,343 4.053,344 3.046,345 5.863,346 3.624,347 2.641,348 3.653,350 7.952,351 2.595,352 3.763,353 2.661,354 5.462,355 3.369,356 2.372,357 3.11,359 7.058,360 2.361,361 3.646,362 2.383,363 5.207,364 3.165,365 2.187,366 3.021,368 6.282,369 2.133,370 3.293,371 2.187,372 4.859,373 2.915,374 1.926,375 2.529,377 5.533,378 1.902,379 2.917,380 1.787,381 3.903,382 2.418,383 1.426,384 2.068,386 3.128,387 1.412,388 2.553,389 1.327,390 3.661,391 2.033,392 1.039,393 1.531,395 2.664,396 1.031,397 2.5,398 1.155,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.312,407 1,408 3.353,409 1.618,410 0.596,411 0.938,413 1.468,414 0.599,415 1.337,416 0.396,417 2.734,418 1.044,419 0.07,420 0.083,422 0.161,423 0.068,424 0.926,425 -0.089,426 2.59,427 0.554,428 -0.424,429 -0.524,431 -1.083,432 -0.409,433 0.872,434 -0.185,435 2,436 0.429,437 -0.558,438 -0.751,440 -1.359,441 -0.551,442 0.616,443 -0.706,444 2,445 0.143,446 -0.865,447 -1.204,449 -2.093,450 -0.866,451 0.5,452 -0.822,453 1.851,455 -1,456 -1.483,458 -2.815,459 -1,460 0.192,461 -0.969,462 1.697,463 -0.166,464 -1.125,465 -1.5,467 -3,468 -1.072,469 9.567,470 0.478,471 0.524,472 0.026,473 29,474 1.45,475 17,476 0.85,477 12,478 0.6,479 12.139,480 0.607,481 19.833,482 0.601,483 19.672,484 0.984,485 5.909,486 0.295,487 3.739,488 0.187,489 0.122,491 0.366,496 0.732,497 0.93,498 0.732,499 0.842,500 0.739,501 0.798,502 0.61,503 1.098,504 0.73,505 0.978,506 0.588,507 0.892,508 0.839,509 1.158,510 0.937,511 1.051,512 0.757,513 1.008,514 1.059,515 1.071,516 0.992,517 1,518 1.095,519 0.983,520 1.082,521 0.91,522 0.958,523 0.893,524 1.044,525 0.899,526 1.19,527 0.897,528 1.126,529 0.984,530 1.057,531 1.025,532 1.024,533 1.028,534 1.093,535 1.134,536 0.975,537 1.134,538 1.171,539 1.021,540 1.197,541 1.133,542 1.286,543 1.172,544 4,545 0.012,546 2.444,547 1.438,548 1.32,549 0.583,550 0.384,551 0.241,552 0.176,553 0.081,554 3586,555 9823,556 2.077,557 39.4,558 3,559 9,562 1,567 1.62,568 1.935,569 2.989,570 -0.37,572 1,574 1,575 46.872,576 1.42,577 3.248,578 3.931,579 4.476,580 4.597,581 4.658,582 2.423,583 3.546,584 4.295,585 3.099,586 588.843,587 7.35,588 5880.02,589 1,590 1,591 1,592 1,593 166.465,594 1.441,595 4.248,596 0.182,597 0.006,598 0.079,599 0.045,600 0.051,601 0.025,602 0.019,603 0.014,604 0.016,605 0.014,606 0.451,607 0.83,608 1,609 0.627,610 87.266,611 -0.066,612 0.033,613 0.011,614 0.076,615 -0.122,616 0.057,617 0.02,618 -0.124,619 0.07,620 -0.05,621 0.011,622 0.003,623 0.123,624 -0.141,625 -0.04,626 -0.129,627 0.149,628 -0.111,629 0.005,630 -0.051,631 -0.003,632 -0.052,633 -0.025,634 -0.034,636 0.102,637 0.03,638 0.062,639 0.004,640 0.054,641 -0.169,642 0.089,643 -0.183,644 -0.03,645 -0.12,646 -0.087,647 -0.072,648 -0.124,649 -0.126,650 -0.141,651 -0.032,652 -0.143,653 -0.109,654 -0.115,655 -0.15,656 -0.12,657 -0.124,658 -0.14,659 2.025,660 4.886,661 0.8,662 12.8,663 1.002,664 1.103,665 3.266,666 10.664,667 0.712,668 3.135,669 3.466,670 3.738,671 3.989,672 4.263,673 4.248,674 4.304,675 4.369,676 4.431,677 4.304,678 4.795,679 0.685,680 263.31,681 3.135,682 4.673,683 5.525,684 6.405,685 7.279,686 8.164,687 9.045,688 9.933,689 10.818,690 11.707,691 3,700 1,709 8,714 4,716 12,719 1,721 1,738 33,739 15,740 2,741 22,743 35,744 17,745 12,746 4,747 8,748 4,752 3,753 4,759 1,768 16,769 1,772 3,778 1,780 1,781 1,782 3,785 1,786 1,789 13,790 3,791 1,792 3,797 1,803 0.667,804 2,823 3,827 1,845 2,853 1,855 2,859 1,862 20,868 1,886 6.1,888 1,889 1,893 10.333,894 6.317,895 4.361,896 1.914,898 3.218,899 1.479,900 0.981,901 3.054,902 9.934,903 3.466,904 4.078,905 4.682,906 5.24,907 5.832,908 6.071,909 6.472,910 6.863,911 7.262,912 7.504,913 1,914 32,915 7.383,917 3.188,918 7.883,919 13.857,921 11.333,924 2.383,925 47.667,929 141.253,930 114.315,931 16.786,933 67.828,936 114.315,937 209.081,938 16.786,939 8.825,941 85.286,942 75.718,943 29.099,945 141.253,947 141.253,948 131.101,949 67.828,952 141.253,953 67.828,956 25.611,957 96.014,958 9.476,960 141.253,961 84.614,962 114.315,965 141.253,966 20.204,967 94.111,969 84.614,970 141.253,971 84.614,972 114.315,973 0.586,974 0.345,975 0.183,976 0.108,977 16,978 7,979 0.029,980 1,981 1,982 1.125,983 3.2,984 153.266,985 0.125,986 16,987 82.439,993 12.523,994 4.877,995 2.348,997 84.614,998 14.935,1003 3.18,1005 42.683,1006 340.182,1007 31,1013 11.886,1015 1.421,1016 4.513,1017 -0.028,1020 33.058,1021 36.408,1022 0.282,1023 0.644,1024 0.779,1025 0.887,1026 0.911,1027 0.923,1028 4.691,1029 1,1030 5.517,1031 2.664,1032 4.143,1033 4.762,1034 0.542,1035 6.333,1036 4.124,1037 5.92,1038 0.596,1039 7.083,1040 2.275,1041 3.761,1042 4.511,1044 7.244,1045 3.733,1046 7.235,1047 0.07,1048 8.748,1049 1.468,1050 5.74,1051 6.955,1052 0.23,1053 10.363,1054 5.706,1055 8.584,1056 -0.424,1057 10.473,1058 0.161,1059 6.155,1060 7.488,1062 12.107,1063 6.12,1064 9.962,1065 -0.558,1066 12.237,1067 -1.083,1068 7.625,1069 9.4,1070 0.089,1071 14.768,1072 7.584,1073 11.362,1074 -0.865,1075 14.028,1076 -1.359,1077 8.42,1078 10.327,1080 16.878,1081 8.382,1082 12.78,1083 -1,1084 15.84,1085 -2.093,1086 9.688,1087 11.994,1088 0.033,1089 19.379,1090 9.646,1091 3.198,1092 -1.125,1093 17.668,1094 -2.815,1095 10.67,1096 13.138,1098 21.652,1099 10.633,1100 2.641,1101 11.042,1102 19.509,1103 -3,1104 11.859,1105 14.681,1106 0.012,1107 24.094,1108 11.82,1109 2.372,1110 7.952,1111 21.362,1112 4.183,1113 12.933,1114 15.949,1116 26.439,1117 12.896,1118 2.187,1119 7.058,1120 23.224,1121 3.653,1122 14.095,1123 17.43,1124 0.004,1125 28.857,1126 14.057,1127 1.926,1128 6.282,1129 25.094,1130 3.11,1131 15.212,1132 18.767,1134 31.233,1135 15.176,1136 1.426,1137 5.533,1138 26.97,1139 3.021,1140 16.366,1141 20.217,1142 0.002,1143 33.641,1144 16.331,1145 1.039,1146 3.128,1147 28.852,1148 2.529,1149 17.505,1150 21.592,1152 36.031,1153 17.47,1154 3519,1155 5933,1156 14.622,1157 23.483,1158 33.833,1159 34.442,1160 34.254,1161 32.949,1162 32.91,1163 45.233,1164 1.2,1165 95.125,1166 32.586,1167 5.386,1168 5.662,1169 6.447,1170 5.197,1171 5.198,1172 7.183,1173 1.2,1174 18.552,1175 5.193,1176 9.306,1177 1.538,1178 1.566,1179 1.557,1180 1.498,1181 1.496,1182 2.056,1183 0.055,1184 4.324,1185 1.481,1186 4.035,1187 4.054,1188 3.999,1189 3.968,1190 7.429,1191 3.972,1192 3.883,1193 3.91,1194 3.819,1195 3.828,1196 6.461,1197 3.822,1198 3.52,1199 3.545,1200 3.449,1201 3.405,1202 4.881,1203 3.412,1204 3.252,1205 3.306,1206 3.177,1207 3.086,1208 4.684,1209 3.096,1210 3.02,1211 3.071,1212 2.877,1213 2.875,1214 4.349,1215 2.869,1216 2.854,1217 2.925,1218 2.69,1219 2.735,1220 3.835,1221 2.715,1222 2.795,1223 2.829,1224 2.687,1225 2.632,1226 3.674,1227 2.636,1228 2.679,1229 2.745,1230 2.518,1231 2.48,1232 3.639,1233 2.484,1234 0.207,1235 0.166,1236 0.308,1237 0.191,1238 0.145,1239 4.562,1240 0.19,1241 3.662,1242 0.027,1243 6.768,1244 0.502,1245 4.197,1246 0.145,1247 3.198,1248 4.183,1249 0.6,1250 11.042,1251 3.193,1252 1.992,1253 1.975,1254 2.071,1255 2.075,1256 1.178,1257 2.074,1258 1.888,1259 1.862,1260 2.008,1261 1.967,1262 1.109,1263 1.982,1264 1.486,1265 1.461,1266 1.622,1267 1.635,1268 0.66,1269 1.631,1270 1.223,1271 1.165,1272 1.514,1273 1.436,1274 0.574,1275 1.461,1276 0.998,1277 0.954,1278 1.195,1279 1.192,1280 0.245,1281 1.189,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.74,1289 0.704,1290 0.953,1291 0.988,1292 0.043,1293 0.97,1294 0.652,1295 0.587,1296 0.9,1297 0.893,1299 0.901,1300 3.807,1302 5.13,1304 6.663,1306 8.294,1308 9.978,1310 2.011,1314 9.748,1326 22.612,1327 46.872,1328 107.181,1329 129.71,1330 147.71,1331 151.71,1332 153.71,1333 32.348,1334 6.715,1335 49.66,1336 49.66,1337 18,1338 12.238,1339 4,1340 3.322,1341 29.862,1342 56,1343 64,1344 0.264,1345 140.1,1346 248.6,1347 333.605,1348 6464,1350 14.113,1351 0.706,1352 0.55,1353 14.113,1354 10.999,1355 9.648,1356 0.439,1357 0.289,1358 6.307,1359 9.454,1360 6.111,1361 5.101,1362 9.648,1363 6.351,1364 8.806,1365 0.284,1366 0.153,1367 8.806,1368 4.737,1369 7.499,1370 0.183,1371 0.079,1372 7.499,1373 3.237,1374 5.979,1375 0.113,1376 0.041,1377 5.979,1378 2.166,1379 5.201,1380 0.074,1381 0.022,1382 5.201,1383 1.535,1384 0.399,1385 59.45,1386 0.262,1387 19.594,1388 0.766,1389 106,1390 303.53,1391 112.261,1392 301.145,1393 411.58,1394 280,1395 125,1396 302.484,1397 131.594,1398 311.079,1399 453.87,1400 293,1401 5.152}
{0 CHEMBL1373780,1 1.786,2 8.478,3 2.763,4 7.633,5 97.95,6 9.727,7 0.64,8 3.672,9 3.767,10 3.553,11 3.407,12 4.976,13 3.338,14 4.099,15 4.207,16 3.939,17 3.79,18 5.31,19 3.698,20 4.271,21 4.384,22 4.149,23 3.896,24 5.607,25 3.818,26 4.381,27 4.499,28 4.265,29 3.938,30 5.861,31 3.828,32 4.364,33 4.5,34 3.918,35 3.834,36 5.749,37 3.714,38 4.321,39 4.498,40 3.718,41 3.665,42 5.7,43 3.545,44 4.164,45 4.414,46 3.369,47 3.402,48 5.423,49 3.287,50 3.934,51 4.136,52 3.186,53 3.25,54 5.295,55 3.119,56 0.066,57 0.517,58 4.533,59 2.821,60 14.719,61 2.809,62 0.107,63 0.801,64 12.539,65 5.691,66 17.81,67 5.823,68 0.129,69 0.954,70 11.357,71 5.981,72 22.12,73 5.91,74 0.29,75 1.13,76 19.4,77 7.661,78 55.327,79 6.904,80 0.279,81 1.065,82 21.048,83 8.092,84 53.585,85 6.841,86 0.307,87 1.072,88 17.939,89 6.721,90 61.351,91 5.805,92 0.267,93 0.835,94 16.367,95 6.018,96 55.936,97 6.869,98 0.26,99 0.629,100 13.146,101 5.065,102 62.023,103 5.081,104 30,105 36,106 0.32,107 0.724,108 0.759,109 0.819,110 0.833,111 0.833,112 3.19,113 1.041,114 -3.59,115 -3.56,116 -3.39,120 45.7,125 1,143 5,144 3,145 2,148 1,153 1,158 1,159 1,162 1,164 2,165 2,166 2,174 6,177 5,179 1,180 1,182 2,185 10,187 2,189 3,194 1,197 4,199 1,200 1,201 6,203 3,204 3,206 6,209 5,211 6,213 1,214 2,219 2,222 4,224 2,227 5,229 1,230 1,231 1,232 2,234 2,235 5,237 2,238 1,240 2,242 1,243 1,245 2,247 5,249 2,251 1,252 2,257 2,260 4,262 2,264 2,269 2,271 2,273 2,274 613,275 15.569,276 15.569,277 15.569,278 15.569,279 15.569,280 13.441,281 10.538,282 8.927,283 16.068,284 12.156,285 12.156,286 12.156,287 12.156,288 12.156,289 8.765,290 8.953,291 3.992,292 12.851,293 3.343,294 1.085,295 0.889,296 0.557,297 0.479,298 0.479,299 3.863,305 1,306 1,307 1,308 411,309 3,312 46.433,313 131.426,316 89.148,320 1.327,321 28.541,323 1,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 49,333 195,334 4.789,335 4.433,336 7.057,337 4.311,338 3.363,339 4.758,340 2.95,341 12.106,342 3.188,343 4.315,344 4.013,345 6.515,346 3.931,347 2.946,348 3.875,349 2.035,350 10.068,351 2.903,352 4.005,353 3.622,354 6.051,355 3.546,356 2.569,357 3.541,359 8.449,360 2.496,361 3.518,362 3.077,363 5.397,364 3.008,365 2.102,366 2.891,368 6.432,369 1.964,370 3.484,371 2.667,372 5.296,373 2.95,374 2.01,375 2.837,377 6.342,378 1.806,379 3.196,380 2.32,381 4.576,382 2.551,383 1.58,384 2.18,386 4.044,387 1.522,388 2.986,389 2.182,390 3.944,391 2.175,392 1.262,393 1.733,395 3.138,396 1.135,397 2.631,398 1.908,399 3.661,400 2,401 1.038,402 1.511,404 2.184,405 1,406 2.5,407 1.374,408 3.381,409 1.937,410 1,411 1.5,413 2.136,414 0.918,415 2.286,416 1.323,417 3.247,418 1.617,419 0.67,420 0.997,422 1.583,423 0.608,424 1.758,425 1.222,426 2.908,427 1.131,428 0.293,429 0.403,431 0.436,432 0.241,433 1.214,434 1,435 2.519,436 0.711,437 -0.21,438 -0.288,440 -0.416,441 -0.191,442 0.939,443 0.264,444 2.428,445 0.443,446 -0.44,447 -0.614,449 -0.983,450 -0.379,451 0.75,452 -0.26,453 2.345,454 0.28,455 -0.724,456 -0.903,458 -1.587,459 -0.627,460 0.538,461 -0.524,462 2.077,463 0.135,464 -0.774,465 -1.115,467 -1.69,468 -0.776,469 11.6,470 0.504,471 0.593,472 0.026,473 34,474 1.478,475 20,476 0.87,477 14,478 0.609,479 17.164,480 0.746,481 22.6,482 0.646,483 23.623,484 1.027,485 6.226,486 0.271,487 4.853,488 0.211,489 0.175,491 0.388,496 0.852,497 0.764,498 0.718,499 0.627,500 0.727,501 0.638,502 0.577,503 0.911,504 0.972,505 0.986,506 0.522,507 0.77,508 0.882,509 1.12,510 0.757,511 0.921,512 0.815,513 0.803,514 0.943,515 1.154,516 0.966,517 1.157,518 1.051,519 0.996,520 1.442,521 1.284,522 1.546,523 1.386,524 1.4,525 1.215,526 1.346,527 1.133,528 1.365,529 1.287,530 1.358,531 1.311,532 0.978,533 0.711,534 0.698,535 0.646,536 0.888,537 0.804,538 1.507,539 0.794,540 1.021,541 0.838,542 1.294,543 0.984,544 4,545 0.045,546 3.111,547 2.792,548 1.917,549 1.126,550 0.543,551 0.282,552 0.149,553 0.079,554 4802,555 16326,556 2.016,557 34.3,559 8,562 4,567 1.663,568 1.84,569 3.055,570 1.865,572 1,575 62.505,576 1.786,577 4.044,578 4.24,579 4.572,580 4.651,581 4.651,582 2.525,583 4.263,584 4.494,585 3.171,586 802.284,587 7.771,588 8726.7,589 1,590 1,592 1,593 179.525,594 1.538,595 4.428,596 0.16,597 0.009,598 0.086,599 0.068,600 0.048,601 0.034,602 0.022,603 0.014,604 0.009,605 0.007,606 0.458,607 0.33,608 1,609 0.982,610 104.903,611 -0.178,612 0.231,613 0.017,614 0.195,615 -0.13,616 0.143,617 0.083,618 0.044,619 0.024,620 0.026,621 0.026,622 0.139,623 0.022,624 -0.139,625 0.16,626 0.02,627 -0.009,628 0.058,629 0.234,630 -0.138,631 0.161,632 -0.077,633 0.121,634 -0.094,635 -0.227,636 -0.259,637 -0.389,638 -0.285,639 -0.161,640 -0.29,641 -0.217,642 -0.059,643 -0.363,644 -0.32,645 -0.195,646 -0.403,647 0.03,648 0.228,649 0.155,650 0.232,651 0.071,652 0.268,653 -0.166,654 0.101,655 -0.085,656 0.12,657 0.027,658 0.052,659 1.824,660 5.675,661 0.652,662 16.854,663 1.012,664 1.106,665 2.358,666 5.56,667 0.766,668 3.258,669 3.611,670 3.97,671 4.277,672 4.477,673 4.575,674 4.7,675 4.771,676 4.727,677 4.605,678 5.037,679 0.722,680 340.46,681 3.258,682 4.812,683 5.7,684 6.611,685 7.519,686 8.438,687 9.355,688 10.279,689 11.2,690 12.127,691 11.4,695 2,700 1,701 1,708 2,709 5,710 1,713 1,714 6,716 16,718 1,721 1,728 2,738 35,739 18,740 1,741 25,743 37,744 16,745 13,746 1,747 5,748 1,752 3,753 4,767 1,768 14,769 1,772 1,778 1,782 1,785 1,786 1,789 12,790 5,791 4,792 7,793 2,797 4,803 0.667,804 1,816 1,822 1,823 2,826 1,855 2,856 1,857 2,859 1,862 23,863 2,873 1,877 1,880 1,882 1,884 1,886 2.9,889 1,893 12.5,894 6.733,895 5.222,896 1.824,898 3.184,899 1.455,900 1.019,901 4.251,902 10.176,903 3.611,904 4.259,905 4.974,906 5.638,907 6.188,908 6.609,909 7.046,910 7.453,911 7.679,912 7.82,913 0.833,914 41,915 8.468,917 3.676,918 7.986,919 15.687,921 12.844,924 2.486,925 57.167,929 94.169,930 157.059,931 113.639,933 25.145,935 63.497,936 93.562,937 119.314,938 113.639,939 7.19,941 113.176,942 63.983,943 44.311,944 3.686,945 157.666,947 94.169,948 207.201,949 25.145,950 63.497,952 94.169,953 25.145,956 31.376,957 159.039,958 16.786,959 63.497,960 94.169,961 138.784,962 157.059,965 94.169,966 85.886,967 54.572,968 16.602,969 138.784,970 94.169,971 138.784,972 157.059,973 0.581,974 0.376,975 0.217,976 0.113,977 18,978 9,979 0.081,980 3,981 1,982 1.133,983 3.319,984 192.091,985 0.133,986 15,987 100.042,989 2,993 15.791,994 6.191,995 2.564,996 1.204,997 138.784,998 8.925,999 4.241,1002 1.201,1003 2.453,1005 65.794,1006 390.012,1007 36,1013 12.675,1017 -0.157,1020 35.422,1021 38.703,1022 0.348,1023 0.788,1024 0.827,1025 0.891,1026 0.907,1027 0.907,1028 4.86,1029 1.038,1030 5.714,1031 3.138,1032 4.29,1033 4.945,1034 3.284,1035 6.613,1036 4.191,1037 6.118,1038 1,1039 7.334,1040 2.184,1041 4.007,1042 4.902,1044 7.7,1045 3.884,1046 7.463,1047 0.67,1048 9.058,1049 2.136,1050 5.964,1051 7.284,1052 5.23,1053 10.865,1054 5.79,1055 8.85,1056 0.293,1057 10.841,1058 1.583,1059 6.524,1060 8.104,1062 12.768,1063 6.316,1064 10.27,1065 -0.21,1066 12.661,1067 0.436,1068 7.968,1069 9.955,1070 7.287,1071 15.471,1072 7.721,1073 11.715,1074 -0.44,1075 14.506,1076 -0.416,1077 8.891,1078 11.168,1080 17.702,1081 8.597,1082 13.18,1083 -0.724,1084 16.369,1085 -0.983,1086 10.158,1087 12.822,1088 9.398,1089 20.254,1090 9.825,1091 3.363,1092 -0.774,1093 18.246,1094 -1.587,1095 11.236,1096 14.219,1098 22.626,1099 10.849,1100 2.946,1101 12.106,1102 20.133,1103 -1.69,1104 12.445,1105 15.8,1106 11.535,1107 25.128,1108 12.013,1109 2.569,1110 10.068,1111 22.028,1112 4.758,1113 13.589,1114 17.282,1116 27.561,1117 13.101,1118 2.102,1119 8.449,1120 23.931,1121 3.875,1122 14.783,1123 18.84,1124 13.686,1125 30.048,1126 14.245,1127 2.01,1128 6.432,1129 25.84,1130 3.541,1131 15.956,1132 20.36,1134 32.51,1135 15.361,1136 1.58,1137 6.342,1138 27.753,1139 2.891,1140 17.15,1141 21.912,1142 15.844,1143 34.994,1144 16.501,1145 1.262,1146 4.044,1147 29.671,1148 2.837,1149 18.337,1150 23.451,1152 37.469,1153 17.631,1154 4806,1155 8976,1156 16.126,1157 26.818,1158 39.256,1159 44.986,1160 40.704,1161 37.635,1162 37.667,1163 52.45,1164 9.969,1165 113.836,1166 35.563,1167 5.554,1168 6.433,1169 6.859,1170 5.45,1171 5.363,1172 7.758,1173 5.9,1174 19.799,1175 5.188,1176 12.84,1177 1.57,1178 1.799,1179 1.628,1180 1.505,1181 1.507,1182 2.098,1183 0.399,1184 4.553,1185 1.423,1186 4.098,1187 4.104,1188 4.368,1189 4.104,1190 7.427,1191 4.059,1192 3.885,1193 3.911,1194 3.876,1195 3.83,1196 6.82,1197 3.823,1198 3.537,1199 3.566,1200 3.784,1201 3.499,1202 5.187,1203 3.457,1204 3.217,1205 3.29,1206 3.443,1207 3.154,1208 5.035,1209 3.05,1210 3.133,1211 3.156,1212 3.127,1213 2.973,1214 4.724,1215 2.991,1216 3.04,1217 3.129,1218 2.973,1219 2.766,1220 4.514,1221 2.797,1222 2.854,1223 2.964,1224 2.905,1225 2.735,1226 3.964,1227 2.715,1228 2.825,1229 2.925,1230 2.687,1231 2.572,1232 3.728,1233 2.51,1234 0.192,1235 0.177,1236 0.282,1237 0.172,1238 0.135,1239 4.789,1240 0.19,1241 4.433,1242 0.118,1243 7.057,1244 0.484,1245 4.311,1246 0.128,1247 3.363,1248 4.758,1249 2.95,1250 12.106,1251 3.188,1252 1.914,1253 1.895,1254 2.02,1255 1.994,1256 1.098,1257 2.002,1258 1.879,1259 1.866,1260 1.867,1261 1.959,1262 1.068,1263 1.954,1264 1.481,1265 1.479,1266 1.514,1267 1.615,1268 0.638,1269 1.611,1270 1.205,1271 1.157,1272 1.5,1273 1.409,1274 0.626,1275 1.489,1276 1.176,1277 1.136,1278 1.225,1279 1.324,1280 0.218,1281 1.323,1282 0.948,1283 0.904,1284 1.181,1285 1.235,1286 0.206,1287 1.202,1288 0.886,1289 0.821,1290 1.112,1291 1.136,1292 0.154,1293 1.137,1294 0.824,1295 0.73,1296 1.007,1297 1.062,1299 1.107,1300 3.932,1302 5.273,1303 2.398,1304 6.832,1305 4.844,1306 8.49,1307 7.05,1308 10.201,1310 1.838,1313 12.067,1319 1.372,1324 9.287,1325 2.06,1326 25.282,1327 62.505,1328 141.551,1329 148.405,1330 160.015,1331 162.77,1332 162.77,1333 47.73,1334 6.992,1335 105.79,1336 159.33,1337 17,1338 12.632,1339 4.248,1340 3.585,1341 36.599,1342 71,1343 69,1344 0.272,1345 166.229,1346 278.99,1347 397.359,1348 8452,1350 16.56,1351 0.72,1352 0.6,1353 17.267,1354 13.794,1355 11.079,1356 0.443,1357 0.347,1358 6.757,1359 9.93,1360 6.36,1361 5.295,1362 12.045,1363 8.675,1364 9.711,1365 0.27,1366 0.182,1367 10.766,1368 6.553,1369 8.863,1370 0.17,1371 0.103,1372 10.265,1373 5.332,1374 7.772,1375 0.109,1376 0.06,1377 9.503,1378 4.241,1379 5.922,1380 0.068,1381 0.033,1382 7.461,1383 2.901,1384 0.407,1385 78.049,1386 0.249,1387 21.947,1388 0.805,1389 122,1390 369.371,1391 174.082,1392 412.103,1393 558.06,1394 382,1395 149,1396 378.009,1397 198.911,1398 417.192,1399 614.78,1400 390,1401 4.02}
{0 CHEMBL1374009,1 1.429,2 9.105,3 3.574,4 12.77,5 73.426,6 7.585,7 0.81,8 3.597,9 3.701,10 3.199,11 3.208,12 4.718,13 3.184,14 4.077,15 4.227,16 3.507,17 3.534,18 5.167,19 3.5,20 4.264,21 4.463,22 3.526,23 3.59,24 5.316,25 3.538,26 4.132,27 4.326,28 3.312,29 3.492,30 5.159,31 3.409,32 4.105,33 4.339,34 3.125,35 3.417,36 5.026,37 3.296,38 3.993,39 4.242,40 2.964,41 3.258,42 4.874,43 3.123,44 3.763,45 3.985,46 2.828,47 3.066,48 4.683,49 2.949,50 3.621,51 3.846,52 2.627,53 2.876,54 4.54,55 2.758,56 0.011,57 0.44,58 6.164,59 2.945,60 4.958,61 3.736,62 0.073,63 0.707,64 11.293,65 4.705,66 12.837,67 5.983,68 0.189,69 0.854,70 15.156,71 5.62,72 22.601,73 7.235,74 0.114,75 0.766,76 12.646,77 4.857,78 17.521,79 6.44,80 0.093,81 0.73,82 12.95,83 5.15,84 16.067,85 7.156,86 0.121,87 0.618,88 12.082,89 4.963,90 15.013,91 6.961,92 0.106,93 0.479,94 9.302,95 3.925,96 11.498,97 5.339,98 0.045,99 0.43,100 7.941,101 3.209,102 9.487,103 4.37,104 4,105 28,106 0.263,107 0.547,108 0.7,109 0.8,110 0.811,111 0.833,112 3.01,113 0.902,114 -3.79,115 -3.75,116 -3.57,120 48.5,121 1,126 1,143 8,144 1,145 1,146 1,147 3,174 7,177 6,185 6,188 1,189 9,197 3,201 7,209 3,214 2,222 6,226 1,235 8,239 1,247 6,252 2,260 2,264 3,274 414,275 13.301,276 13.301,277 13.301,278 13.301,279 13.301,280 11.373,281 5.392,282 8.097,283 13.625,284 10.357,285 10.357,286 10.357,287 10.357,288 10.357,289 7.504,290 5.814,291 3.777,292 10.81,293 3.615,294 2.065,295 1.235,296 0.69,297 0.629,298 0.508,299 3.697,305 1,306 1,307 1,308 375,309 2.121,313 147.008,317 78.308,320 1.49,321 9.958,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 40,333 173,334 4.448,335 3.015,336 6.287,337 3.966,338 2.998,339 4.362,340 0.86,341 9.564,342 2.902,343 4.119,344 2.862,345 5.992,346 3.68,347 2.7,348 3.759,350 8.548,351 2.644,352 3.717,353 2.58,354 5.32,355 3.318,356 2.375,357 3.137,359 6.886,360 2.23,361 3.118,362 1.715,363 4.484,364 2.573,365 1.618,366 2.427,368 4.505,369 1.546,370 3.053,371 1.618,372 4.303,373 2.558,374 1.592,375 2.306,377 4.071,378 1.531,379 2.804,380 1.451,381 3.609,382 2.315,383 1.338,384 1.946,386 2.953,387 1.303,388 2.5,389 1.259,390 3.414,391 2,392 1.049,393 1.5,395 2.275,396 1,397 2.199,398 1,399 3.196,400 1.975,401 1,402 1.156,404 1.857,405 0.961,406 2.124,407 0.668,408 3.129,409 1.613,410 0.662,411 0.977,413 1.527,414 0.628,415 1.21,416 0.105,417 2.594,418 0.861,419 -0.09,420 -0.109,422 -0.173,423 -0.085,424 0.905,425 -0.418,426 2.203,427 0.47,428 -0.479,429 -0.63,431 -1.023,432 -0.452,433 0.882,434 -0.618,435 2,436 0.346,437 -0.618,438 -0.927,440 -1.592,441 -0.593,442 0.5,443 -0.745,444 2,445 0.078,446 -0.882,447 -1.125,449 -1.754,450 -0.843,451 0.421,452 -1,453 1.847,455 -1,456 -1.5,458 -2.932,459 -1,460 0.336,461 -1.081,462 1.631,463 -0.121,464 -1.103,465 -1.61,467 -3,468 -1.081,469 9.133,470 0.481,471 0.307,472 0.016,473 28.5,474 1.5,475 16.5,476 0.868,477 12,478 0.632,479 10.613,480 0.559,481 19.067,482 0.578,483 17.208,484 0.906,485 5.669,486 0.298,487 3.695,488 0.194,489 0.055,491 0.274,496 0.812,497 1.17,498 0.743,499 1.015,500 0.877,501 0.897,502 1.26,503 1.172,504 0.879,505 0.992,506 1,507 0.913,508 1.532,509 0.951,510 0.942,511 0.807,512 1.16,513 0.812,514 1.197,515 1.146,516 1.167,517 1.059,518 1.246,519 1.092,520 0.718,521 0.98,522 1.054,523 1.02,524 1.012,525 1.054,526 0.479,527 0.856,528 0.886,529 0.969,530 0.639,531 0.975,532 0.685,533 0.923,534 0.926,535 1.031,536 0.738,537 1.023,538 0.897,539 1.172,540 1.08,541 1.219,542 1.01,543 1.176,544 3,545 0.033,546 2,547 0.563,548 0.818,549 0.535,550 0.221,551 0.099,552 0.114,553 0.056,554 3465,555 8459,556 2.145,557 42.4,559 10,561 1,564 3,567 1.598,568 2.073,569 3.174,570 -0.828,572 1,574 1,575 47.162,576 1.429,577 2.98,578 3.809,579 4.355,580 4.415,581 4.537,582 2.721,583 4.037,584 4.215,585 3.263,586 557.892,587 7.158,588 5425.86,589 1,590 1,592 1,593 166.465,594 1.105,595 4.207,596 0.143,597 0.007,598 0.071,599 0.02,600 0.037,601 0.03,602 0.015,603 0.008,604 0.011,605 0.008,606 0.35,607 1,608 1,609 0.894,610 82.783,611 0.015,612 -0.149,613 0.066,614 -0.067,615 -0.083,616 -0.008,617 -0.077,618 -0.159,619 0.023,620 -0.051,621 0.015,622 -0.014,623 -0.123,624 0.07,625 0.044,626 0.13,627 0.035,628 0.104,629 -0.203,630 -0.1,631 -0.24,632 -0.134,633 -0.216,634 -0.181,635 -0.072,636 0.013,637 -0.106,638 -0.056,639 -0.151,640 -0.075,641 0.214,642 0.063,643 0.099,644 0.035,645 0.184,646 0.052,647 0.225,648 -0.02,649 0.048,650 -0.026,651 0.14,652 -0.016,653 -0.002,654 -0.224,655 -0.107,656 -0.247,657 -0.071,658 -0.196,659 0.824,660 1.931,661 0.842,662 14.283,663 0.995,664 1.112,665 2.562,666 6.564,667 0.698,668 3.091,669 3.367,670 3.638,671 3.871,672 4.127,673 4.143,674 4.263,675 4.317,676 4.382,677 4.317,678 5.174,679 0.664,680 250.32,681 3.091,682 4.595,683 5.434,684 6.29,685 7.146,686 8.009,687 8.872,688 9.739,689 10.605,690 11.473,691 6.1,701 2,708 2,709 9,710 2,714 3,716 17,735 1,738 33,739 17,740 2,741 21,743 35,744 16,745 14,746 4,747 8,752 3,753 4,759 1,768 14,769 2,786 1,789 14,790 3,792 3,797 2,803 0.667,804 1,813 1,823 3,827 1,855 2,859 1,862 19,869 1,872 1,886 3,891 1,893 9.167,894 6.317,895 4.306,896 2.106,898 3.413,899 1.512,900 1.003,901 3.217,902 10.073,903 3.418,904 4.043,905 4.687,906 5.303,907 5.936,908 6.231,909 6.7,910 7.127,911 7.569,912 7.748,913 1,914 28,915 6.972,917 2.871,918 7.57,919 13.45,921 10.712,924 2.07,925 39.333,926 0.001,929 164.795,930 113.749,931 33.571,933 11,936 113.749,937 175.795,938 33.571,939 8.825,940 4.592,941 75.81,942 45.342,943 35.521,945 153.024,947 164.795,948 147.32,949 11,952 129.482,953 46.313,956 29.51,957 84.239,958 33.571,960 164.795,961 44.571,962 113.749,965 164.795,966 20.066,967 93.683,969 44.571,970 164.795,971 44.571,972 113.749,973 0.562,974 0.331,975 0.182,976 0.101,977 14,978 5,979 0.086,980 3,981 1,982 1.125,983 3.256,984 137.562,985 0.125,986 16,987 76.711,993 11.822,994 5.17,995 2.467,996 1.825,997 44.571,998 17.591,999 9.04,1003 2.795,1006 323.115,1007 29.5,1020 32.833,1021 36.697,1022 0.283,1023 0.591,1024 0.755,1025 0.863,1026 0.875,1027 0.899,1028 4.598,1029 1,1030 5.38,1031 2.275,1032 4.043,1033 4.727,1034 0.908,1035 6.142,1036 3.969,1037 5.797,1038 0.662,1039 6.901,1040 1.857,1041 3.434,1042 4.407,1044 6.934,1045 3.332,1046 7.091,1047 -0.09,1048 8.523,1049 1.527,1050 5.58,1051 6.987,1052 0.739,1053 10.009,1054 5.44,1055 8.426,1056 -0.479,1057 10.206,1058 -0.173,1059 5.832,1060 7.539,1062 11.641,1063 5.662,1064 9.794,1065 -0.618,1066 11.929,1067 -1.023,1068 7.392,1069 9.53,1070 0.593,1071 14.189,1072 7.195,1073 11.186,1074 -0.882,1075 13.678,1076 -1.592,1077 8.06,1078 10.515,1080 16.158,1081 7.83,1082 12.595,1083 -1,1084 15.444,1085 -1.754,1086 9.354,1087 12.231,1088 0.469,1089 18.515,1090 9.101,1091 2.998,1092 -1.103,1093 17.223,1094 -2.932,1095 10.228,1096 13.445,1098 20.631,1099 9.941,1100 2.7,1101 9.564,1102 19.012,1103 -3,1104 11.401,1105 15.026,1106 0.366,1107 22.915,1108 11.089,1109 2.375,1110 8.548,1111 20.807,1112 4.362,1113 12.378,1114 16.36,1116 25.097,1117 12.032,1118 1.618,1119 6.886,1120 22.608,1121 3.759,1122 13.496,1123 17.877,1124 0.283,1125 27.353,1126 13.125,1127 1.592,1128 4.505,1129 24.413,1130 3.137,1131 14.525,1132 19.274,1134 29.566,1135 14.12,1136 1.338,1137 4.071,1138 26.222,1139 2.427,1140 15.621,1141 20.762,1142 0.217,1143 31.813,1144 15.188,1145 1.049,1146 2.953,1147 28.033,1148 2.306,1149 16.677,1150 22.192,1152 34.043,1153 16.211,1154 3363,1155 5355,1156 14.504,1157 23.034,1158 30.876,1159 30.909,1160 31.47,1161 30.681,1162 30.668,1163 43.139,1164 1.72,1165 84.371,1166 29.489,1167 5.158,1168 5.015,1169 6.057,1170 5.036,1171 4.998,1172 7.362,1173 1.72,1174 15.984,1175 4.902,1176 5.653,1177 1.47,1178 1.472,1179 1.499,1180 1.461,1181 1.46,1182 2.054,1183 0.082,1184 4.018,1185 1.404,1186 4.07,1187 4.103,1188 4.035,1189 3.978,1190 5.082,1191 3.988,1192 3.866,1193 3.889,1194 3.808,1195 3.798,1196 4.824,1197 3.797,1198 3.491,1199 3.552,1200 3.367,1201 3.313,1202 4.438,1203 3.319,1204 3.352,1205 3.413,1206 3.205,1207 3.205,1208 4.275,1209 3.195,1210 2.959,1211 3.022,1212 2.868,1213 2.813,1214 4.083,1215 2.816,1216 2.854,1217 2.925,1218 2.71,1219 2.735,1220 3.69,1221 2.715,1222 2.816,1223 2.858,1224 2.687,1225 2.699,1226 3.674,1227 2.697,1228 2.567,1229 2.638,1230 2.412,1231 2.414,1232 3.404,1233 2.406,1234 0.212,1235 0.144,1236 0.299,1237 0.189,1238 0.143,1239 4.448,1240 0.208,1241 3.015,1242 0.041,1243 6.287,1244 0.455,1245 3.966,1246 0.138,1247 2.998,1248 4.362,1249 0.86,1250 9.564,1251 2.902,1252 2.016,1253 1.988,1254 2.09,1255 2.125,1256 1.162,1257 2.115,1258 1.857,1259 1.835,1260 1.968,1261 1.951,1262 1.056,1263 1.956,1264 1.471,1265 1.408,1266 1.786,1267 1.699,1268 0.926,1269 1.73,1270 1.341,1271 1.286,1272 1.495,1273 1.502,1274 0.516,1275 1.509,1276 0.938,1277 0.881,1278 1.181,1279 1.124,1280 0.218,1281 1.139,1282 0.886,1283 0.821,1284 1.171,1285 1.062,1286 0.211,1287 1.107,1288 0.797,1289 0.759,1290 1.038,1291 0.996,1292 0.135,1293 1.008,1294 0.568,1295 0.504,1296 0.922,1297 0.801,1298 0.069,1299 0.847,1300 3.761,1302 5.043,1304 6.547,1306 8.146,1308 9.792,1310 1.975,1315 0.676,1318 5.431,1326 21.918,1327 47.162,1328 98.326,1329 125.71,1330 143.71,1331 145.71,1332 149.71,1333 18.997,1334 6.661,1335 35.01,1336 35.01,1337 18,1338 12.018,1339 4.17,1340 3.248,1341 27.97,1342 58,1343 67,1344 0.241,1345 136.233,1346 225.25,1347 324.169,1348 6168,1350 13.079,1351 0.688,1352 0.563,1353 13.079,1354 10.706,1355 9.365,1356 0.446,1357 0.301,1358 6.252,1359 9.086,1360 6.091,1361 5.077,1362 9.365,1363 6.316,1364 7.947,1365 0.284,1366 0.15,1367 7.947,1368 4.201,1369 6.835,1370 0.185,1371 0.079,1372 6.835,1373 2.91,1374 5.694,1375 0.121,1376 0.042,1377 5.694,1378 1.985,1379 4.74,1380 0.078,1381 0.022,1382 4.74,1383 1.333,1384 0.374,1385 57.958,1386 0.263,1387 19.134,1388 0.665,1389 98,1390 271.026,1391 105.318,1392 265.408,1393 374.85,1394 252,1395 114,1396 284.736,1397 121.375,1398 288.692,1399 421.83,1400 274,1401 4.999}
{0 CHEMBL1374398,1 1.642,2 10.75,3 1.293,4 1.671,5 86.648,6 7.645,7 0.24,8 3.889,9 3.987,10 3.459,11 3.291,12 5.063,13 3.31,14 4.438,15 4.596,16 3.74,17 3.611,18 5.696,19 3.622,20 4.624,21 4.811,22 3.761,23 3.732,24 5.777,25 3.705,26 4.567,27 4.742,28 3.677,29 3.721,30 5.674,31 3.673,32 4.662,33 4.87,34 3.696,35 3.658,36 5.836,37 3.63,38 4.564,39 4.758,40 3.632,41 3.578,42 5.794,43 3.552,44 4.407,45 4.591,46 3.547,47 3.556,48 5.615,49 3.501,50 4.494,51 4.717,52 3.492,53 3.526,54 5.628,55 3.459,56 0.199,57 0.594,58 8.879,59 3.961,60 11.2,61 5,62 0.612,63 0.865,64 18.49,65 5.921,66 58.54,67 7.78,68 0.917,69 0.976,70 23.78,71 7.227,72 68.866,73 9.665,74 0.514,75 0.955,76 21.032,77 7.648,78 62.056,79 10.085,80 0.822,81 0.943,82 25.509,83 7.301,84 73.954,85 10.114,86 0.944,87 0.858,88 23.219,89 6.484,90 74.867,91 8.814,92 0.595,93 0.822,94 18.161,95 6.279,96 59.029,97 8.618,98 0.67,99 0.84,100 21.157,101 6.332,102 60.959,103 9.233,104 26,105 32,106 0.288,107 0.608,108 0.786,109 0.835,110 0.835,111 0.835,112 3.227,113 0.92,114 -2.27,115 -2.31,116 -2.27,120 36.4,121 1,126 6,136 1,138 1,143 3,144 1,145 2,159 1,167 2,174 4,176 2,177 4,185 4,188 4,189 7,197 2,201 7,209 1,213 1,214 9,222 2,226 4,227 6,235 2,239 3,240 2,251 2,252 6,263 1,264 4,274 912,275 16.129,276 16.129,277 16.129,278 16.129,279 16.129,280 14.793,281 19.578,282 9.974,283 16.752,284 12.314,285 12.314,286 12.314,287 12.314,288 12.314,289 10.156,290 19.801,291 4.681,292 13.166,293 3.817,294 1.994,295 0.978,296 0.699,297 0.699,298 0.699,299 3.892,306 1,307 1,308 525,309 3.742,313 180.915,320 1.771,321 35.299,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 55,333 258,334 4.283,335 3.742,336 6.184,337 3.872,338 2.922,339 3.935,340 2.612,341 9.226,342 2.778,343 3.948,344 3.673,345 6.013,346 3.724,347 2.769,348 3.467,349 2.055,350 8.528,351 2.639,352 3.907,353 3.205,354 5.271,355 3.322,356 2.356,357 3.103,358 0.933,359 6.714,360 2.266,361 3.548,362 2.577,363 4.612,364 3.038,365 2.07,366 2.879,367 0.86,368 5.044,369 1.998,370 2.996,371 2.368,372 4.472,373 2.775,374 1.848,375 2.098,376 0.86,377 4.565,378 1.701,379 2.903,380 2.276,381 4.245,382 2.562,383 1.652,384 1.93,385 0.51,386 4.034,387 1.493,388 2.455,389 1.933,390 3.501,391 2.048,392 1.165,393 1.255,395 2.674,396 1.017,397 2.23,398 1.475,399 3.247,400 1.952,401 1,402 1.126,404 2.136,405 0.946,406 2.159,407 1.256,408 3.22,409 1.939,410 1,411 1.075,413 1.835,414 0.929,415 2,416 1.222,417 3.091,418 1.697,419 0.726,420 1,422 1.585,423 0.698,424 1.811,425 1,426 2.884,427 1.386,428 0.431,429 0.574,431 0.951,432 0.405,433 1.141,434 0.94,435 2.325,436 0.803,437 -0.141,438 -0.165,440 -0.273,441 -0.13,442 1,443 0.419,444 2.275,445 0.464,446 -0.498,447 -0.599,449 -1.051,450 -0.474,451 0.795,452 -0.056,453 1.951,454 0.227,455 -0.747,456 -0.803,458 -1.608,459 -0.72,460 0.433,461 -0.247,462 1.742,464 -1,465 -1,467 -2,468 -0.846,469 10.8,470 0.45,471 0.489,472 0.02,473 28.75,474 1.198,475 13,476 0.542,477 15.75,478 0.656,479 17.986,480 0.749,481 28.2,482 0.641,483 22.224,484 0.926,485 6.079,486 0.253,487 5.517,488 0.23,489 0.139,491 0.259,496 0.636,497 1.517,498 0.724,499 1.37,500 0.526,501 1.127,502 1.059,503 1.092,504 0.939,505 1.022,506 0.53,507 0.948,508 1.017,509 0.785,510 1.009,511 0.84,512 0.789,513 0.903,514 0.941,515 1.307,516 1.032,517 1.346,518 0.977,519 1.248,520 1.107,521 1.014,522 0.951,523 0.981,524 0.867,525 0.933,526 1.135,527 0.862,528 1.034,529 0.851,530 1.037,531 0.909,532 0.681,533 1.203,534 0.953,535 1.227,536 0.889,537 1.184,538 0.734,539 1.117,540 0.914,541 1.097,542 0.665,543 1.061,544 4.5,545 0.078,546 2.444,547 1,548 0.964,549 0.757,550 0.507,551 0.333,552 0.201,553 0.108,554 6193,555 21864,556 1.972,557 45.5,559 16,560 1,564 3,567 1.669,568 1.846,569 3.411,570 -0.658,571 1,572 1,574 1,575 72.267,576 1.642,577 3.466,578 4.482,579 4.76,580 4.76,581 4.76,582 2.928,583 3.855,584 4.552,585 3.576,586 987.015,587 7.858,588 12070.6,590 1,593 240.215,594 1.384,595 4.513,596 0.18,597 0.007,598 0.076,599 0.031,600 0.033,601 0.026,602 0.019,603 0.013,604 0.009,605 0.006,606 0.4,607 0.33,608 1,609 1.41,610 115.893,611 0.085,612 -0.211,613 0.071,614 -0.168,615 0.003,616 -0.082,617 -0.078,618 0.012,619 -0.011,620 0.014,621 0.133,622 0.025,623 -0.017,624 0.241,625 -0.046,626 0.158,627 -0.022,628 0.069,629 -0.105,630 -0.267,631 -0.129,632 -0.255,633 -0.117,634 -0.212,635 -0.094,636 -0.081,637 0.043,638 -0.009,639 -0.005,640 0.048,641 -0.025,642 0.089,643 -0.029,644 0.109,645 -0.044,646 0.045,647 0.13,648 -0.147,649 -0.044,650 -0.165,651 0.005,652 -0.161,653 0.088,654 -0.139,655 0.042,656 -0.109,657 0.076,658 -0.054,659 2.536,660 5.103,661 0.5,662 24,663 1.025,664 1.136,665 1.039,666 1.079,667 0.627,668 3.258,669 3.497,670 3.664,671 3.829,672 4.025,673 3.97,674 4.007,675 4.043,676 4.025,677 3.912,678 6.43,679 0.615,680 336.38,681 3.258,682 4.745,683 5.541,684 6.372,685 7.192,686 8.028,687 8.859,688 9.698,689 10.534,690 11.375,691 4.5,698 1,703 1,709 3,714 3,716 6,735 2,738 44,739 10,740 1,741 25,743 45,744 16,745 6,746 3,747 3,748 2,752 2,753 2,759 1,768 9,769 7,772 4,775 1,778 3,780 2,782 1,785 1,786 1,789 20,790 7,792 8,797 2,803 1,804 6,823 2,839 1,845 1,850 1,854 1,855 2,859 1,862 24,869 6,872 3,875 1,886 13.6,889 1,890 1,891 2,892 2,893 13,894 8.067,895 5.556,896 2.668,898 1.704,899 1.262,900 0.901,901 7.182,902 8.213,903 3.497,904 3.961,905 4.347,906 4.735,907 5.252,908 5.419,909 5.684,910 5.941,911 6.111,912 5.745,913 1,914 32,915 8.864,917 3.611,918 8.132,919 16.392,921 12.485,924 2.632,925 63.167,929 235.422,930 96.736,931 8.794,933 108.892,936 96.736,937 344.314,938 8.794,939 14.495,940 34.753,941 37.905,942 40.849,943 35.672,944 11.771,945 223.651,946 50.747,947 235.422,948 105.53,949 108.892,952 200.109,953 82.458,954 61.747,956 34.53,957 61.523,958 9.476,960 235.422,961 117.686,962 96.736,965 235.422,966 40.958,967 64.572,969 108.892,970 235.422,971 117.686,972 96.736,973 0.557,974 0.306,975 0.16,976 0.094,977 12,978 6,979 0.156,980 7,982 1,983 3.643,984 174.759,986 12,987 104.039,993 18.391,994 9.373,995 5.894,997 112.016,998 4.937,1003 1.483,1006 449.844,1007 32,1010 -0.536,1013 32.883,1015 2.221,1017 -0.113,1020 45.12,1021 49.99,1022 0.301,1023 0.635,1024 0.821,1025 0.872,1026 0.872,1027 0.872,1028 4.696,1029 1,1030 5.485,1031 2.674,1032 4.174,1033 4.644,1034 3.198,1035 6.196,1036 4.058,1037 5.85,1038 1,1039 6.984,1040 2.136,1041 3.611,1042 4.425,1043 2.701,1044 6.934,1045 3.492,1046 7.122,1047 0.726,1048 8.584,1049 1.835,1050 5.666,1051 6.697,1052 4.525,1053 9.967,1054 5.451,1055 8.426,1056 0.431,1057 10.245,1058 1.585,1059 5.916,1060 7.284,1061 4.756,1062 11.544,1063 5.693,1064 9.763,1065 -0.141,1066 11.945,1067 0.951,1068 7.426,1069 9.043,1070 6.171,1071 14.066,1072 7.121,1073 11.12,1074 -0.498,1075 13.673,1076 -0.273,1077 8.069,1078 9.982,1079 6.722,1080 15.991,1081 7.74,1082 12.491,1083 -0.747,1084 15.42,1085 -1.051,1086 9.334,1087 11.535,1088 7.935,1089 18.322,1090 8.939,1091 2.922,1092 -1,1093 17.181,1094 -1.608,1095 10.179,1096 12.651,1097 8.655,1098 20.398,1099 9.745,1100 2.769,1101 9.226,1102 18.952,1103 -2,1104 11.328,1105 14.11,1106 9.758,1107 22.653,1108 10.838,1109 2.356,1110 8.528,1111 20.732,1112 3.935,1113 12.277,1114 15.324,1115 10.577,1116 24.797,1117 11.74,1118 2.07,1119 6.714,1120 22.518,1121 3.467,1122 13.374,1123 16.736,1124 11.618,1125 27.021,1126 12.785,1127 1.848,1128 5.044,1129 24.309,1130 3.103,1131 14.375,1132 18.008,1133 12.495,1134 29.197,1135 13.736,1136 1.652,1137 4.565,1138 26.103,1139 2.879,1140 15.448,1141 19.396,1142 13.502,1143 31.41,1144 14.759,1145 1.165,1146 4.034,1147 27.901,1148 2.098,1149 16.477,1150 20.703,1151 14.413,1152 33.601,1153 15.736,1154 6307,1155 11983,1156 16.296,1157 27.591,1158 36.321,1159 38.046,1160 37.159,1161 35.862,1162 35.879,1163 44.883,1164 15.661,1165 94.583,1166 33.739,1167 5.283,1168 5.742,1169 5.986,1170 4.975,1171 4.922,1172 6.935,1173 4.612,1174 15.548,1175 4.778,1176 12.767,1177 1.453,1178 1.522,1179 1.486,1180 1.434,1181 1.435,1182 1.795,1183 0.626,1184 3.783,1185 1.35,1186 3.975,1187 3.994,1188 3.93,1189 3.875,1190 7.816,1191 3.881,1192 3.812,1193 3.861,1194 3.731,1195 3.581,1196 7.427,1197 3.605,1198 3.726,1199 3.75,1200 3.685,1201 3.394,1202 6.999,1203 3.448,1204 3.463,1205 3.532,1206 3.31,1207 3.249,1208 4.912,1209 3.241,1210 3.41,1211 3.434,1212 3.274,1213 3.149,1214 4.614,1215 3.181,1216 3.111,1217 3.206,1218 2.973,1219 2.941,1220 4.429,1221 2.91,1222 3.042,1223 3.062,1224 2.866,1225 2.743,1226 4.371,1227 2.812,1228 2.861,1229 2.916,1230 2.707,1231 2.71,1232 3.944,1233 2.705,1234 0.171,1235 0.15,1236 0.247,1237 0.155,1238 0.117,1239 4.283,1240 0.157,1241 3.742,1242 0.104,1243 6.184,1244 0.369,1245 3.872,1246 0.111,1247 2.922,1248 3.935,1249 2.612,1250 9.226,1251 2.778,1252 1.913,1253 1.897,1254 2.005,1255 2.049,1256 1.2,1257 2.025,1258 1.72,1259 1.668,1260 1.924,1261 1.977,1262 1.109,1263 1.958,1264 1.529,1265 1.492,1266 1.793,1267 1.888,1268 0.929,1269 1.808,1270 1.441,1271 1.371,1272 1.631,1273 1.693,1274 0.825,1275 1.714,1276 1.301,1277 1.268,1278 1.52,1279 1.587,1280 0.725,1281 1.563,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.562,1287 1.429,1288 0.88,1289 0.855,1290 1.13,1291 1.201,1292 0.225,1293 1.159,1294 0.845,1295 0.799,1296 1.063,1297 1.067,1298 0.183,1299 1.088,1300 3.932,1302 5.187,1304 6.632,1306 8.165,1308 9.746,1310 1.822,1315 2.511,1318 16.267,1321 1.693,1326 27.073,1327 72.267,1328 152.492,1329 197.195,1330 209.46,1331 209.46,1332 209.46,1333 56.309,1334 6.509,1335 93.82,1336 93.82,1337 12,1338 11.941,1339 3.459,1340 3,1341 48.429,1342 90,1343 88,1344 0.258,1345 169.463,1346 308.64,1347 405.249,1348 5152,1350 17.364,1351 0.723,1352 0.561,1353 17.364,1354 13.473,1355 11.597,1356 0.464,1357 0.307,1358 7.473,1359 10.751,1360 7.349,1361 6.048,1362 11.597,1363 7.667,1364 9.912,1365 0.31,1366 0.157,1367 9.912,1368 5.022,1369 7.508,1370 0.198,1371 0.089,1372 7.508,1373 3.371,1374 5.775,1375 0.128,1376 0.049,1377 5.775,1378 2.206,1379 4.735,1380 0.086,1381 0.026,1382 4.735,1383 1.418,1384 0.408,1385 75.484,1386 0.248,1387 23.816,1388 0.696,1389 114,1390 477.703,1391 134.437,1392 430.61,1393 555.65,1394 400,1395 127,1396 383.012,1397 146.833,1398 371.219,1399 533.33,1400 347,1401 4.959}
{0 CHEMBL1374684,1 1.6,2 7.95,3 2.254,4 5.079,5 76.525,6 7.695,7 0.727,8 3.681,9 3.808,10 3.287,11 3.151,12 4.829,13 3.164,14 4.176,15 4.366,16 3.607,17 3.489,18 5.262,19 3.489,20 4.282,21 4.486,22 3.644,23 3.58,24 5.327,25 3.56,26 4.316,27 4.502,28 3.598,29 3.657,30 5.355,31 3.6,32 4.471,33 4.714,34 3.479,35 3.707,36 5.408,37 3.595,38 4.444,39 4.712,40 3.346,41 3.569,42 5.358,43 3.449,44 4.22,45 4.497,46 3.022,47 3.22,48 5.145,49 3.111,50 3.797,51 4.062,52 2.624,53 2.772,54 4.708,55 2.667,56 0.034,57 0.566,58 6.828,59 2.643,60 6.29,61 3.609,62 0.269,63 0.846,64 13.318,65 4.194,66 18.773,67 5.791,68 0.248,69 0.929,70 14.946,71 4.809,72 17.603,73 6.841,74 0.219,75 0.977,76 14.68,77 5.399,78 16.728,79 7.485,80 0.253,81 1.037,82 18.939,83 6.526,84 24.657,85 9.714,86 0.224,87 0.945,88 19.453,89 6.19,90 25.81,91 9.436,92 0.325,93 0.693,94 16.386,95 4.303,96 26.851,97 6.612,98 0.218,99 0.416,100 10.857,101 3.154,102 17.527,103 4.58,104 9,105 30,106 0.291,107 0.662,108 0.812,109 0.832,110 0.832,111 0.832,112 3.059,113 0.871,114 -4.12,115 -4.07,116 -3.85,120 40,121 1,125 1,126 1,143 4,145 2,147 1,148 1,149 1,161 1,162 1,174 2,176 2,177 5,180 2,185 2,188 3,189 4,197 2,200 1,201 3,204 2,209 2,213 1,214 5,222 2,227 5,232 3,239 1,240 3,245 2,251 1,263 1,267 1,274 492,275 14.016,276 14.016,277 14.016,278 14.016,279 14.016,280 12.185,281 15.573,282 8.233,283 14.585,284 10.724,285 10.724,286 10.724,287 10.724,288 10.724,289 7.97,290 22.24,291 3.679,292 11.512,293 3.529,294 1.493,295 0.672,296 0.557,297 0.557,298 0.557,299 3.74,305 1,306 1,307 1,308 343,309 2.739,312 40.198,313 112.354,316 76.553,320 1.26,321 12.372,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 43.5,333 159,334 4.568,335 3.351,336 6.793,337 4.121,338 3.183,339 4.479,340 0.86,341 11.189,342 2.985,343 4.118,344 2.881,345 6.111,346 3.698,347 2.748,348 3.696,349 0.8,350 8.844,351 2.611,352 3.731,353 2.719,354 5.358,355 3.342,356 2.413,357 3.095,359 6.882,360 2.235,361 3.31,362 2.011,363 5.095,364 2.831,365 1.896,366 2.629,368 5.815,369 1.766,370 3.048,371 1.548,372 4.286,373 2.451,374 1.548,375 2.321,377 3.759,378 1.398,379 2.516,380 1.448,381 3.901,382 2.208,383 1.271,384 1.519,386 3.087,387 1.187,388 2.5,389 1.036,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.402,400 1.916,401 1,402 1.5,404 2.23,405 0.915,406 1.936,407 1,408 3.124,409 1.464,410 0.547,411 0.728,413 1.218,414 0.499,415 1.659,416 0.591,417 2.773,418 1.39,419 0.519,420 0.579,422 0.786,423 0.448,424 1.163,425 0.124,426 2.478,427 0.913,428 -0.025,429 -0.029,431 -0.04,432 -0.023,433 0.837,434 -0.287,435 2.308,436 0.39,437 -0.534,438 -0.69,440 -1.122,441 -0.489,442 0.5,443 -0.699,444 2.13,445 0.092,446 -0.846,447 -1.073,449 -1.851,450 -0.786,451 0.5,452 -1,453 2,455 -1,456 -1.5,458 -2.43,459 -0.916,460 0.482,461 -1,462 1.662,463 -0.084,464 -1,465 -1.5,467 -3,468 -1,469 9.333,470 0.467,471 0.342,472 0.017,473 29.25,474 1.463,475 15,476 0.75,477 14.25,478 0.713,479 12.54,480 0.627,481 21.267,482 0.608,483 18.661,484 0.933,485 5.888,486 0.294,487 3.942,488 0.197,489 0.107,491 0.311,496 0.956,497 1.623,498 0.743,499 1.227,500 0.829,501 0.989,502 1.204,503 0.929,504 0.83,505 0.785,506 0.978,507 0.757,508 1.036,509 1.03,510 0.848,511 0.89,512 0.764,513 0.845,514 0.895,515 1.143,516 1.094,517 1.188,518 0.947,519 1.181,520 0.657,521 1.036,522 1.066,523 1.116,524 0.975,525 1.145,526 0.781,527 1.074,528 1.008,529 1.107,530 0.942,531 1.09,532 1.314,533 0.828,534 1.173,535 0.9,536 1.246,537 0.987,538 1.4,539 0.877,540 1.059,541 0.983,542 1.188,543 0.991,544 3,545 0.032,546 2.444,547 1.188,548 0.906,549 0.59,550 0.386,551 0.189,552 0.096,553 0.05,554 3555,555 9856,556 2.107,557 42.9,559 9,561 2,562 1,564 3,567 1.622,568 2,569 2.968,570 -0.222,572 1,574 1,575 56.009,576 1.6,577 3.636,578 4.458,579 4.572,580 4.572,581 4.572,582 2.484,583 3.922,584 4.293,585 3.095,586 588.065,587 7.354,588 5853.45,589 1,590 1,592 1,593 179.525,594 1.295,595 4.266,596 0.136,597 0.011,598 0.081,599 0.038,600 0.031,601 0.024,602 0.018,603 0.014,604 0.011,605 0.008,606 0.373,607 0.5,608 1,609 0.88,610 87.141,611 -0.066,612 -0.428,613 0.073,614 -0.202,615 -0.026,616 -0.065,617 -0.013,618 0.17,619 0.103,620 0.164,621 0.033,622 0.147,623 -0.018,624 0.042,625 0.08,626 0.075,627 0.126,628 0.087,629 -0.051,630 -0.046,631 -0.22,632 -0.185,633 -0.129,634 -0.232,635 -0.01,636 -0.053,637 -0.14,638 -0.109,639 -0.134,640 -0.138,641 -0.04,642 -0.157,643 -0.029,644 -0.122,645 -0.029,646 -0.077,647 -0.148,648 0.063,649 -0.123,650 0.014,651 -0.13,652 -0.032,653 -0.009,654 -0.073,655 0.02,656 -0.019,657 0.041,658 -0.001,659 0.929,660 1.685,661 0.75,662 12.56,663 1.007,664 1.136,665 2.891,666 8.355,667 0.665,668 3.135,669 3.434,670 3.761,671 4.025,672 4.19,673 4.234,674 4.317,675 4.331,676 4.174,677 4.159,678 4.765,679 0.642,680 269.34,681 3.135,682 4.654,683 5.517,684 6.395,685 7.276,686 8.161,687 9.047,688 9.936,689 10.824,690 11.714,691 14.3,699 2,701 3,708 2,709 6,710 3,711 1,714 3,716 16,732 1,735 1,738 35,739 16,740 1,741 22,743 37,744 14,745 11,746 2,747 4,752 3,753 4,759 1,768 11,769 3,785 1,786 1,789 15,790 5,791 1,792 6,794 1,797 5,803 0.667,804 1,817 1,822 1,823 2,826 1,855 2,859 2,862 20,869 1,872 1,875 1,886 2.9,891 1,893 10,894 6.967,895 4.611,896 2.085,898 3.027,899 1.458,900 0.991,901 3.523,902 9.641,903 3.434,904 4.056,905 4.713,906 5.331,907 5.823,908 6.093,909 6.473,910 6.844,911 6.908,912 7.25,913 1,914 31,915 7.309,917 2.986,918 7.642,919 13.952,921 10.937,924 2.142,925 42.833,926 0.001,929 164.795,930 91.144,931 70.266,933 11,936 91.144,937 175.795,938 70.266,939 19.708,940 2.106,941 37.905,942 84.233,943 49.673,944 2.328,945 141.253,947 164.795,948 161.41,949 11,952 129.482,953 46.313,956 51.937,957 59.116,958 50.357,960 164.795,961 81.266,962 91.144,965 164.795,966 16.293,967 77.975,968 16.786,969 61.356,970 164.795,971 81.266,972 91.144,973 0.566,974 0.358,975 0.202,976 0.102,977 15,978 6,979 0.108,980 4,981 1,982 1.133,983 3.216,984 152.998,985 0.133,986 15,987 82.439,993 12.881,994 5.47,995 2.356,996 1.507,997 64.481,998 11.042,999 12.834,1000 3,1003 2.664,1005 16.786,1006 337.205,1007 30,1020 35.254,1021 39.777,1022 0.312,1023 0.709,1024 0.869,1025 0.891,1026 0.891,1027 0.891,1028 4.635,1029 1,1030 5.485,1031 2.275,1032 4.111,1033 4.741,1034 1.235,1035 6.312,1036 3.98,1037 5.838,1038 0.547,1039 7.05,1040 2.23,1041 3.611,1042 4.477,1043 0.325,1044 7.286,1045 3.424,1046 7.144,1047 0.519,1048 8.721,1049 1.218,1050 5.707,1051 7.003,1052 0.938,1053 10.403,1054 5.455,1055 8.496,1056 -0.025,1057 10.458,1058 0.786,1059 6.111,1060 7.655,1061 0.268,1062 12.24,1063 5.793,1064 9.883,1065 -0.534,1066 12.237,1067 -0.04,1068 7.612,1069 9.58,1070 0.732,1071 14.874,1072 7.242,1073 11.295,1074 -0.846,1075 14.045,1076 -1.122,1077 8.42,1078 10.662,1079 0.188,1080 17.044,1081 7.978,1082 12.726,1083 -1,1084 15.873,1085 -1.851,1086 9.692,1087 12.338,1088 0.57,1089 19.527,1090 9.199,1091 3.183,1092 -1,1093 17.717,1094 -2.43,1095 10.682,1096 13.631,1097 0.125,1098 21.833,1099 10.118,1100 2.748,1101 11.189,1102 19.573,1103 -3,1104 11.867,1105 15.2,1106 0.438,1107 24.266,1108 11.248,1109 2.413,1110 8.844,1111 21.438,1112 4.479,1113 12.94,1114 16.597,1115 0.082,1116 26.63,1117 12.251,1118 1.896,1119 6.882,1120 23.31,1121 3.696,1122 14.094,1123 18.12,1124 0.334,1125 29.047,1126 13.347,1127 1.548,1128 5.815,1129 25.188,1130 3.095,1131 15.206,1132 19.567,1133 0.054,1134 31.436,1135 14.391,1136 1.271,1137 3.759,1138 27.071,1139 2.629,1140 16.352,1141 21.072,1142 0.252,1143 33.849,1144 15.475,1145 1,1146 3.087,1147 28.959,1148 2.321,1149 17.482,1150 22.544,1151 0.035,1152 36.251,1153 16.539,1154 3497,1155 5938,1156 14.909,1157 23.29,1158 32.498,1159 32.512,1160 33.968,1161 32.206,1162 32.247,1163 44.093,1164 3.32,1165 92.167,1166 30.089,1167 5.333,1168 5.351,1169 6.352,1170 5.204,1171 5.183,1172 7.479,1173 1.72,1174 18.578,1175 4.985,1176 7.77,1177 1.477,1178 1.478,1179 1.544,1180 1.464,1181 1.466,1182 2.004,1183 0.151,1184 4.189,1185 1.368,1186 4.081,1187 4.137,1188 4.056,1189 3.907,1190 5.188,1191 3.936,1192 3.89,1193 3.922,1194 3.835,1195 3.779,1196 4.865,1197 3.792,1198 3.509,1199 3.586,1200 3.378,1201 3.305,1202 4.568,1203 3.305,1204 3.263,1205 3.352,1206 3.156,1207 3.003,1208 4.395,1209 3.031,1210 3.229,1211 3.3,1212 3.03,1213 2.951,1214 4.103,1215 2.962,1216 2.884,1217 2.971,1218 2.751,1219 2.735,1220 3.903,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.671,1226 3.674,1227 2.674,1228 2.624,1229 2.693,1230 2.503,1231 2.455,1232 3.458,1233 2.463,1234 0.208,1235 0.152,1236 0.309,1237 0.187,1238 0.145,1239 4.568,1240 0.204,1241 3.351,1242 0.039,1243 6.793,1244 0.509,1245 4.121,1246 0.136,1247 3.183,1248 4.479,1249 0.86,1250 11.189,1251 2.985,1252 1.912,1253 1.882,1254 2.011,1255 2.056,1256 1.141,1257 2.039,1258 1.751,1259 1.71,1260 1.836,1261 1.921,1262 0.953,1263 1.899,1264 1.475,1265 1.393,1266 1.744,1267 1.722,1268 0.804,1269 1.734,1270 1.33,1271 1.243,1272 1.566,1273 1.619,1274 0.573,1275 1.6,1276 1.186,1277 1.11,1278 1.496,1279 1.497,1280 0.409,1281 1.52,1282 0.886,1283 0.821,1284 1.181,1285 1.075,1286 0.218,1287 1.107,1288 0.818,1289 0.742,1290 1.087,1291 1.062,1292 0.199,1293 1.076,1294 0.8,1295 0.727,1296 1.002,1297 1.047,1298 0.01,1299 1.044,1300 3.807,1302 5.106,1303 2.398,1304 6.624,1305 4.595,1306 8.24,1307 6.605,1308 9.905,1310 3.731,1315 0.783,1318 5.185,1321 2.088,1326 22.456,1327 56.009,1328 127.26,1329 156.015,1330 160.015,1331 160.015,1332 160.015,1333 20.171,1334 6.615,1335 66.93,1336 66.93,1337 17,1338 12.243,1339 4.087,1340 3.17,1341 29.828,1342 55,1343 68,1344 0.267,1345 140.359,1346 226.29,1347 334.236,1348 5546,1350 13.949,1351 0.697,1352 0.568,1353 13.949,1354 11.368,1355 9.83,1356 0.447,1357 0.29,1358 6.255,1359 9.308,1360 6.083,1361 5.099,1362 9.83,1363 6.388,1364 8.211,1365 0.274,1366 0.141,1367 8.211,1368 4.239,1369 7.476,1370 0.178,1371 0.075,1372 7.476,1373 3.154,1374 6.359,1375 0.116,1376 0.039,1377 6.359,1378 2.166,1379 4.81,1380 0.074,1381 0.02,1382 4.81,1383 1.313,1384 0.402,1385 62.449,1386 0.259,1387 19.577,1388 0.78,1389 104,1390 320.649,1391 116.731,1392 308.263,1393 432.93,1394 292,1395 124,1396 330.433,1397 137.593,1398 333.721,1399 488.5,1400 313,1401 4.662}
{0 CHEMBL1375054,1 1.52,2 9.478,3 2.725,4 7.427,5 87.231,6 8.141,7 0.48,8 3.755,9 3.833,10 3.388,11 3.313,12 5.006,13 3.321,14 4.221,15 4.343,16 3.721,17 3.657,18 5.417,19 3.662,20 4.356,21 4.473,22 3.849,23 3.734,24 5.676,25 3.745,26 4.439,27 4.581,28 3.729,29 3.681,30 5.867,31 3.654,32 4.394,33 4.6,34 3.463,35 3.554,36 5.555,37 3.49,38 4.253,39 4.445,40 3.396,41 3.435,42 5.397,43 3.395,44 4.157,45 4.326,46 3.446,47 3.396,48 5.486,49 3.375,50 4.133,51 4.311,52 3.307,53 3.37,54 5.315,55 3.321,56 0.077,57 0.477,58 6.411,59 3.543,60 9.034,61 3.85,62 0.252,63 0.747,64 12.447,65 5.527,66 22.623,67 6.049,68 0.251,69 0.862,70 13.69,71 6.211,72 23.188,73 6.901,74 0.55,75 0.925,76 16.309,77 6.584,78 67.036,79 7.563,80 0.401,81 0.882,82 17.926,83 6.611,84 48.556,85 8.145,86 0.341,87 0.754,88 15.424,89 5.691,90 35.676,91 6.737,92 0.426,93 0.683,94 13.313,95 5.063,96 43.045,97 5.985,98 0.24,99 0.645,100 13.095,101 5.453,102 33.473,103 6.478,104 21,105 35,106 0.271,107 0.62,108 0.732,109 0.824,110 0.853,111 0.89,112 3.188,113 0.839,114 -3.14,115 -3.13,116 -3.01,120 47.4,125 2,137 1,139 1,143 7,144 2,145 3,155 1,158 1,174 7,177 7,182 2,185 9,188 1,189 6,194 2,197 6,200 2,201 5,204 2,206 2,209 3,213 1,214 4,219 1,222 2,227 3,232 1,235 2,239 1,240 5,243 1,245 2,247 6,252 2,260 6,263 1,264 4,267 1,271 4,274 661,275 15.723,276 15.723,277 15.723,278 15.723,279 15.723,280 13.815,281 17.157,282 9.088,283 16.13,284 12.155,285 12.155,286 12.155,287 12.155,288 12.155,289 9.102,290 21.501,291 4.081,292 12.616,293 3.728,294 1.767,295 1.136,296 0.619,297 0.461,298 0.25,299 3.868,305 1,306 1,307 1,308 465,309 2.828,312 48.006,313 137.265,316 94.071,320 1.327,321 28.407,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50.5,333 218,334 4.671,335 3.705,336 6.964,337 4.303,338 3.302,339 4.305,340 0.86,341 11.69,342 3.303,343 4.28,344 3.167,345 6.172,346 3.855,347 2.901,348 3.936,349 0.86,350 9.167,351 2.763,352 3.713,353 2.781,354 5.684,355 3.25,356 2.284,357 3.142,358 0.6,359 7.259,360 2.231,361 3.545,362 2.674,363 5.491,364 3.138,365 2.182,366 2.871,368 6.503,369 2.058,370 3.383,371 2.349,372 5.223,373 3.028,374 2.026,375 2.567,377 6.426,378 2.01,379 3.014,380 2.07,381 4.4,382 2.559,383 1.628,384 2.154,386 4.247,387 1.509,388 2.832,389 1.563,390 3.709,391 2.381,392 1.387,393 1.962,395 3.052,396 1.377,397 2.522,398 1.325,399 3.618,400 1.926,401 0.914,402 1.373,404 2.21,405 0.919,406 2.445,407 1.197,408 3.446,409 1.851,410 0.909,411 1.323,413 2.092,414 0.85,415 1.752,416 1.047,417 3.019,418 1.428,419 0.519,420 0.612,422 0.964,423 0.465,424 1.592,425 0.94,426 2.776,427 1.32,428 0.464,429 0.512,431 0.673,432 0.394,433 1.331,434 0.669,435 2.626,436 0.909,437 -0.037,438 -0.044,440 -0.071,441 -0.034,442 0.874,443 0.014,444 2.343,445 0.439,446 -0.53,447 -0.68,449 -1.08,450 -0.484,451 0.774,452 -0.256,453 2.18,454 0.378,455 -0.585,456 -0.812,458 -1.379,459 -0.583,460 0.583,461 -0.465,462 2.075,463 0.126,464 -0.833,465 -1.081,467 -2.112,468 -0.78,469 10.733,470 0.467,471 0.521,472 0.023,473 32.5,474 1.413,475 18,476 0.783,477 14.5,478 0.63,479 14.769,480 0.642,481 24.067,482 0.633,483 24.089,484 1.047,485 6.868,486 0.299,487 4.283,488 0.186,489 0.155,491 0.373,496 0.831,497 1.107,498 0.712,499 1.015,500 0.756,501 0.872,502 1.124,503 0.869,504 0.79,505 0.77,506 0.766,507 0.712,508 1.023,509 1.195,510 0.834,511 1.091,512 0.955,513 0.951,514 0.955,515 1.227,516 1.123,517 1.177,518 1.11,519 1.188,520 1.033,521 0.965,522 1.062,523 0.965,524 1.183,525 1.002,526 1.218,527 0.971,528 1.034,529 0.904,530 1.004,531 0.917,532 0.932,533 0.827,534 0.922,535 0.881,536 1.054,537 0.88,538 1.046,539 0.987,540 0.975,541 1.056,542 1.219,543 1.017,544 4,545 0.078,546 3.111,547 2.549,548 1.076,549 0.723,550 0.452,551 0.387,552 0.205,553 0.15,554 5422,555 16515,556 2.041,557 39.5,559 13,561 1,562 1,567 1.657,568 1.89,569 3.215,570 -0.326,571 1,572 1,574 1,575 57.759,576 1.52,577 3.481,578 4.112,579 4.629,580 4.787,581 4.998,582 2.637,583 3.882,584 4.498,585 3.35,586 847.497,587 7.743,588 9594.08,589 1,590 1,591 1,592 1,593 199.421,594 1.478,595 4.443,596 0.16,597 0.008,598 0.089,599 0.067,600 0.035,601 0.03,602 0.02,603 0.016,604 0.01,605 0.009,606 0.443,607 0.33,608 1,609 0.942,610 107.226,611 -0.07,612 -0.075,613 0.029,614 -0.027,615 -0.112,616 0.014,617 -0.165,618 0.15,619 0.071,620 0.206,621 -0.08,622 0.198,623 -0.046,624 -0.167,625 0.026,626 -0.134,627 0.005,628 -0.059,629 0.14,630 -0.201,631 -0.194,632 -0.24,633 0.142,634 -0.291,635 -0.083,636 0.032,637 -0.05,638 -0.007,639 -0.12,640 -0.016,641 -0.174,642 0.013,643 -0.023,644 0.056,645 -0.093,646 0.055,647 0.144,648 0.18,649 0.056,650 0.075,651 0.103,652 0.063,653 -0.088,654 -0.064,655 0.002,656 -0.059,657 -0.097,658 -0.017,659 1.908,660 5.323,661 0.652,662 16.707,663 1.016,664 1.112,665 1.908,666 3.639,667 0.688,668 3.258,669 3.584,670 3.912,671 4.159,672 4.331,673 4.317,674 4.369,675 4.419,676 4.454,677 4.477,678 5.63,679 0.673,680 309.34,681 3.258,682 4.796,683 5.666,684 6.553,685 7.44,686 8.333,687 9.226,688 10.122,689 11.019,690 11.917,691 2.6,700 1,709 7,714 5,716 12,721 1,735 2,738 38,739 15,740 2,741 25,743 40,744 18,745 12,746 5,747 7,748 4,752 3,753 4,768 16,769 2,772 3,778 1,780 1,781 1,782 3,785 1,786 1,789 15,790 5,791 1,792 5,797 1,803 0.667,804 4,822 1,823 2,826 1,834 1,845 1,846 1,853 1,855 2,859 2,862 23,868 1,872 2,886 10.5,888 1,889 1,891 2,893 12.167,894 7.567,895 5.25,896 2.028,898 3.389,899 1.486,900 0.95,901 4.173,902 10.358,903 3.555,904 4.159,905 4.804,906 5.372,907 5.878,908 6.108,909 6.466,910 6.786,911 7.13,912 7.414,913 1,914 38,915 8.478,917 3.611,918 7.949,919 15.7,921 12.483,924 2.449,925 56.333,929 164.795,930 125.081,931 16.786,933 89.828,936 125.081,937 254.623,938 16.786,939 21.766,941 66.334,942 93.78,943 61.586,945 153.024,947 164.795,948 141.867,949 89.828,952 164.795,953 89.828,956 16.786,957 116.034,958 9.047,960 164.795,961 106.614,962 125.081,965 164.795,966 27.934,967 97.147,969 106.614,970 164.795,971 106.614,972 125.081,973 0.577,974 0.367,975 0.2,976 0.104,977 17,978 8,979 0.1,980 4,981 1,982 1.133,983 3.465,984 183.153,985 0.133,986 15,987 104.042,993 15.317,994 6.266,995 2.733,997 106.614,998 12.088,1003 2.71,1005 42.683,1006 396.49,1007 34,1013 12.323,1015 1.363,1016 4.274,1017 -0.125,1020 38.596,1021 42.242,1022 0.29,1023 0.663,1024 0.784,1025 0.882,1026 0.912,1027 0.952,1028 4.787,1029 0.914,1030 5.659,1031 3.052,1032 4.263,1033 4.844,1034 1.543,1035 6.512,1036 4.204,1037 6.012,1038 0.909,1039 7.251,1040 2.21,1041 3.892,1042 4.649,1044 7.519,1045 3.829,1046 7.337,1047 0.519,1048 8.945,1049 2.092,1050 5.894,1051 7.068,1052 1.238,1053 10.645,1054 5.805,1055 8.703,1056 0.464,1057 10.7,1058 0.964,1059 6.382,1060 7.709,1062 12.497,1063 6.292,1064 10.104,1065 -0.037,1066 12.493,1067 0.673,1068 7.848,1069 9.582,1070 0.998,1071 15.159,1072 7.747,1073 11.529,1074 -0.53,1075 14.313,1076 -0.071,1077 8.724,1078 10.621,1080 17.363,1081 8.627,1082 12.975,1083 -0.585,1084 16.152,1085 -1.08,1086 9.995,1087 12.262,1088 0.802,1089 19.879,1090 9.895,1091 3.302,1092 -0.833,1093 18.007,1094 -1.379,1095 11.043,1096 13.501,1098 22.23,1099 10.949,1100 2.901,1101 11.69,1102 19.874,1103 -2.112,1104 12.247,1105 15.035,1106 0.64,1107 24.699,1108 12.154,1109 2.284,1110 9.167,1111 21.752,1112 4.305,1113 13.37,1114 16.375,1116 27.111,1117 13.283,1118 2.182,1119 7.259,1120 23.638,1121 3.936,1122 14.553,1123 17.86,1124 0.506,1125 29.567,1126 14.471,1127 2.026,1128 6.503,1129 25.532,1130 3.142,1131 15.708,1132 19.25,1134 32.004,1135 15.632,1136 1.628,1137 6.426,1138 27.432,1139 2.871,1140 16.887,1141 20.713,1142 0.396,1143 34.458,1144 16.816,1145 1.387,1146 4.247,1147 29.338,1148 2.567,1149 18.057,1150 22.131,1152 36.906,1153 17.993,1154 5339,1155 9419,1156 16.414,1157 26.154,1158 37.578,1159 39.294,1160 39.452,1161 36.96,1162 37.034,1163 49.516,1164 4.64,1165 108.569,1166 35.757,1167 5.465,1168 5.705,1169 6.643,1170 5.33,1171 5.302,1172 7.305,1173 1.72,1174 18.827,1175 5.303,1176 11.907,1177 1.503,1178 1.572,1179 1.578,1180 1.478,1181 1.481,1182 1.981,1183 0.186,1184 4.343,1185 1.43,1186 4.046,1187 4.057,1188 4.016,1189 3.982,1190 7.428,1191 3.988,1192 3.908,1193 3.923,1194 3.865,1195 3.819,1196 6.466,1197 3.827,1198 3.508,1199 3.539,1200 3.441,1201 3.397,1202 4.967,1203 3.403,1204 3.305,1205 3.355,1206 3.17,1207 3.023,1208 4.708,1209 3.048,1210 3.203,1211 3.274,1212 3.034,1213 2.94,1214 4.61,1215 2.948,1216 3.02,1217 3.079,1218 2.909,1219 2.826,1220 4.495,1221 2.832,1222 2.958,1223 2.989,1224 2.829,1225 2.783,1226 4.109,1227 2.781,1228 2.775,1229 2.849,1230 2.579,1231 2.638,1232 3.712,1233 2.613,1234 0.187,1235 0.148,1236 0.279,1237 0.172,1238 0.132,1239 4.671,1240 0.172,1241 3.705,1242 0.034,1243 6.964,1244 0.468,1245 4.303,1246 0.132,1247 3.302,1248 4.305,1249 0.86,1250 11.69,1251 3.303,1252 1.883,1253 1.865,1254 1.981,1255 1.999,1256 1.085,1257 1.988,1258 1.875,1259 1.857,1260 1.964,1261 1.948,1262 1.054,1263 1.959,1264 1.564,1265 1.556,1266 1.635,1267 1.713,1268 0.708,1269 1.685,1270 1.226,1271 1.165,1272 1.586,1273 1.555,1274 0.584,1275 1.561,1276 1.161,1277 1.083,1278 1.538,1279 1.459,1280 0.559,1281 1.486,1282 0.981,1283 0.96,1284 1.161,1285 1.186,1286 0.207,1287 1.168,1288 0.934,1289 0.873,1290 1.114,1291 1.168,1292 0.187,1293 1.143,1294 0.807,1295 0.738,1296 1.097,1297 0.991,1298 0.16,1299 1.032,1300 3.932,1302 5.252,1303 2.398,1304 6.786,1305 4.949,1306 8.411,1307 7.195,1308 10.083,1310 3.093,1314 10.215,1318 10.392,1326 25.568,1327 57.759,1328 132.26,1329 156.26,1330 175.911,1331 181.911,1332 189.911,1333 43.765,1334 6.969,1335 68.12,1336 68.12,1337 17,1338 12.441,1339 4,1340 3.322,1341 36.876,1342 79,1343 79,1344 0.235,1345 157.685,1346 283.48,1347 376.512,1348 9202,1350 16.397,1351 0.713,1352 0.554,1353 16.397,1354 12.738,1355 11.151,1356 0.446,1357 0.28,1358 6.86,1359 10.648,1360 6.647,1361 5.552,1362 11.151,1363 6.988,1364 9.587,1365 0.274,1366 0.141,1367 9.587,1368 4.933,1369 8.797,1370 0.18,1371 0.074,1372 8.797,1373 3.646,1374 7.215,1375 0.115,1376 0.039,1377 7.215,1378 2.431,1379 5.604,1380 0.075,1381 0.021,1382 5.604,1383 1.554,1384 0.365,1385 70.748,1386 0.247,1387 22.426,1388 0.654,1389 120,1390 407.001,1391 131.685,1392 384.759,1393 520.01,1394 360,1395 144,1396 373.222,1397 156.353,1398 380.709,1399 556.11,1400 355,1401 5.616}
{0 CHEMBL1375659,1 1.721,2 6.063,3 3.637,4 13.226,5 67.429,6 12.067,7 0.353,8 3.272,9 3.316,10 3.236,11 2.983,12 4.486,13 2.958,14 3.797,15 3.858,16 4.076,17 3.423,18 5.246,19 3.375,20 3.941,21 4.012,22 3.794,23 3.376,24 5.363,25 3.368,26 3.957,27 4.096,28 3.616,29 3.336,30 5.28,31 3.25,32 3.702,33 3.81,34 3.707,35 3.106,36 5.381,37 3.044,38 3.445,39 3.567,40 3.132,41 2.788,42 4.805,43 2.632,44 2.961,45 3.147,46 2.536,47 2.329,48 4.056,49 2.087,50 2.031,51 2.089,52 2.313,53 1.768,54 3.382,55 1.622,56 0.124,57 0.236,58 0.063,59 1.537,60 11.545,61 1.715,62 0.365,63 0.384,64 14,65 3.317,66 30.555,67 3.463,68 0.498,69 0.459,70 3.776,71 3.728,72 33.322,73 3.415,74 0.511,75 0.47,76 12.448,77 4.769,78 51.23,79 5.107,80 0.439,81 0.339,82 6.568,83 3.521,84 53.536,85 3.64,86 0.385,87 0.245,88 8.425,89 3.02,90 40.368,91 2.436,92 0.226,93 0.135,94 14.185,95 2.359,96 23.432,97 2.626,98 0.044,99 0.048,100 0.04,101 0.527,102 3.971,103 0.589,104 27,105 26,106 0.354,107 0.732,108 0.803,109 0.846,110 0.846,111 0.846,112 2.855,113 0.993,114 -4.36,115 -4.3,116 -4.05,120 47.8,121 1,133 1,136 1,139 1,143 3,144 2,145 1,158 1,174 5,177 5,185 10,189 6,197 8,200 1,201 3,209 2,214 6,222 8,235 6,247 3,260 3,274 194,275 9.919,276 9.919,277 9.919,278 9.919,279 9.919,280 8.882,281 11.07,282 5.542,283 10.617,284 8.379,285 8.379,286 8.379,287 8.379,288 8.379,289 6.694,290 11.344,291 2.646,292 9.822,293 2.803,294 0.968,295 0.62,296 0.413,297 0.413,298 0.413,299 3.492,302 3,306 1,307 1,308 197,309 2.915,313 71.148,317 61.094,320 1.203,321 22.553,324 1,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.85,332 35,333 97,334 4.544,335 4.06,336 7.13,337 4.158,338 3.35,339 4.084,340 2.441,341 11.774,342 3.044,343 4.247,344 3.534,345 6.46,346 3.845,347 2.971,348 3.545,349 0.952,350 9.98,351 2.376,352 3.605,353 2.848,354 5.082,355 3.224,356 2.226,357 2.913,359 6.009,360 2.124,361 3.309,362 2.468,363 4.978,364 2.923,365 1.953,366 2.528,368 5.746,369 1.879,370 2.942,371 1.958,372 4.64,373 2.374,374 1.556,375 1.974,377 4.738,378 1.136,379 2.471,380 1.331,381 3.728,382 1.949,383 0.969,384 1.377,386 2.484,387 0.865,388 1.491,389 0.692,390 2.935,391 1.037,392 0.063,393 0.081,395 0.153,396 0.059,397 0.882,398 0.074,399 2.678,400 0.515,401 -0.465,402 -0.599,404 -1.242,405 -0.4,406 0.686,407 -0.17,408 2.34,409 0.251,410 -0.76,411 -0.936,413 -2.227,414 -0.4,415 0.196,416 -0.17,417 2.211,418 -0.038,419 -1,420 -1,422 -2.749,423 -0.448,424 0.015,425 -0.447,426 2,427 -0.346,428 -1,429 -1,431 -3,432 -0.754,434 -0.565,435 2,436 -0.6,437 -1,438 -1.328,440 -3,441 -0.951,443 -0.982,444 1.617,445 -0.6,446 -1.344,447 -1.661,449 -3.757,450 -1.299,451 -0.317,452 -1.29,453 1.357,454 -0.659,455 -1.654,456 -2.147,457 -0.406,458 -5.013,459 -1.629,460 -0.5,461 -1.482,462 1.098,463 -0.936,464 -1.866,465 -2.268,466 -0.83,467 -5.935,468 -1.68,469 8.31,470 0.519,471 0.71,472 0.044,473 19.5,474 1.219,475 9.5,476 0.594,477 10,478 0.625,479 12.915,480 0.807,481 16.89,482 0.734,483 12.133,484 0.758,485 3.707,486 0.232,487 3.669,488 0.229,489 0.358,490 0.06,491 0.301,496 0.634,497 1.032,498 0.461,499 0.691,500 0.643,501 0.692,502 0.61,503 0.994,504 0.335,505 0.683,506 0.522,507 0.662,508 0.814,509 1.153,510 0.531,511 0.994,512 0.825,513 0.957,514 0.948,515 0.996,516 0.853,517 0.877,518 1.083,519 0.952,520 0.721,521 1.151,522 0.759,523 0.992,524 0.964,525 0.905,526 1.829,527 0.899,528 1.515,529 0.927,530 1.9,531 1.191,532 1.368,533 0.63,534 2.337,535 1.493,536 1.045,537 1.385,538 1.011,539 1.63,540 1.459,541 0.974,542 0.515,543 1.125,544 5.5,546 2.444,547 1.313,548 1.578,549 0.583,550 0.184,551 0.177,554 1623,555 7716,556 1.909,557 30.4,558 3,559 4,567 1.556,568 1.699,569 2.622,570 -0.673,574 1,575 39.582,576 1.721,577 3.556,578 3.903,579 4.11,580 4.11,581 4.11,582 2.227,583 2.953,584 3.974,585 2.736,586 328.352,587 6.713,588 2745.55,590 1,593 104.042,594 1.823,595 3.859,596 0.324,598 0.094,599 0.052,600 0.079,601 0.034,602 0.023,603 0.044,606 0.65,607 0.83,608 1,609 1.024,610 62.663,611 -0.03,612 -0.047,614 -0.027,615 -0.125,616 -0.004,617 0.216,618 -0.038,619 0.457,620 0.142,621 0.17,622 0.154,623 0.136,624 -0.154,625 0.054,626 -0.181,627 0.014,628 -0.157,629 -0.028,630 -0.005,631 -0.007,632 0.108,633 -0.071,634 0.085,635 0.292,636 -0.194,637 0.213,638 -0.003,639 0.42,640 0.094,641 -0.594,642 0.045,643 -0.324,644 0.191,645 -0.539,646 -0.14,647 -0.362,648 0.244,649 -0.57,650 -0.194,651 -0.261,652 -0.026,653 -0.151,654 -0.819,655 -0.003,656 0.027,657 0.177,658 -0.174,659 2.974,660 4.763,661 0.625,662 8.641,663 1.045,664 1.101,665 3.132,666 9.81,667 0.795,668 2.89,669 3.296,670 3.466,671 3.689,672 3.989,673 3.951,674 3.989,675 3.85,676 3.611,677 3.045,678 3.837,679 0.763,680 277.53,681 2.89,682 4.466,683 5.303,684 6.213,685 7.081,686 7.984,687 8.865,688 9.765,689 10.65,690 11.548,709 3,714 3,716 6,721 1,735 1,738 23,739 8,740 1,741 17,743 24,744 11,745 6,746 3,747 3,748 3,752 2,753 3,754 3,759 2,765 1,768 9,769 2,772 2,778 1,780 1,782 2,786 1,789 7,790 2,792 5,793 3,803 0.5,804 2,823 2,827 1,845 2,855 1,859 1,860 3,862 16,872 1,876 1,885 3,886 8.7,889 1,891 1,893 9.417,894 4.595,895 3.306,896 1.281,898 1.698,899 1.284,900 0.933,901 3.01,902 7.684,903 3.135,904 3.75,905 4.252,906 4.753,907 5.313,908 5.445,909 5.724,910 5.872,911 6.019,912 5.686,913 1,914 25,915 5.898,917 2.597,918 8.151,919 10.695,921 8.671,924 2.651,925 42.417,926 0.001,929 82.398,930 68.722,932 117.446,933 36.145,936 68.722,937 235.988,939 8.825,941 37.905,942 35.522,943 22.614,944 117.446,945 82.398,947 82.398,948 68.722,949 36.145,950 117.446,952 82.398,953 36.145,956 8.825,957 45.177,958 132.166,960 82.398,961 36.145,962 186.168,965 82.398,966 21.991,967 46.73,969 153.591,970 82.398,971 36.145,972 186.168,973 0.615,974 0.332,975 0.162,976 0.105,977 14,978 7,981 1,982 1.2,983 2.646,984 110.225,985 0.2,986 10,987 59.245,993 11.926,994 4.038,995 2.431,997 36.145,998 5.253,1003 1.874,1006 304.71,1007 22,1013 11.763,1015 1.203,1017 -0.19,1020 24.044,1021 25.327,1022 0.38,1023 0.786,1024 0.863,1025 0.909,1026 0.909,1027 0.909,1028 4.425,1029 -0.465,1030 5.398,1031 0.153,1032 3.97,1033 4.431,1034 2.413,1035 6.293,1036 3.757,1037 5.698,1038 -0.76,1039 7.033,1040 -1.242,1041 4.007,1042 4.494,1043 2.554,1044 7.6,1045 3.498,1046 7.056,1047 -1,1048 8.778,1049 -2.227,1050 5.733,1051 6.626,1052 3.723,1053 10.575,1054 5.31,1055 8.444,1056 -1,1057 10.585,1058 -2.749,1059 6.463,1060 7.357,1061 4.426,1062 12.6,1063 5.765,1064 9.856,1065 -1,1066 12.432,1067 -3,1068 7.822,1069 9.087,1070 5.391,1071 15.212,1072 7.151,1073 11.286,1074 -1.344,1075 14.304,1076 -3,1077 8.825,1078 10.13,1079 6.235,1080 17.499,1081 7.947,1082 12.73,1083 -1.654,1084 16.194,1085 -3.757,1086 10.066,1087 11.688,1088 7.149,1089 19.998,1090 9.161,1091 3.35,1092 -1.866,1093 18.099,1094 -5.013,1095 11.179,1096 12.893,1097 8.028,1098 22.383,1099 10.124,1100 2.971,1101 11.774,1102 20.014,1103 -5.935,1104 12.382,1105 14.368,1106 8.927,1107 24.846,1108 11.27,1109 2.226,1110 9.98,1111 21.937,1112 4.084,1113 13.54,1114 15.66,1115 9.816,1116 27.27,1117 12.312,1118 1.953,1119 6.009,1120 23.866,1121 3.545,1122 14.732,1123 17.096,1124 10.71,1125 29.723,1126 13.433,1127 1.556,1128 5.746,1129 25.8,1130 2.913,1131 15.91,1132 18.435,1133 11.602,1134 32.165,1135 14.513,1136 0.969,1137 4.738,1138 27.738,1139 2.528,1140 17.102,1141 19.851,1142 12.495,1143 34.618,1144 15.626,1145 0.063,1146 2.484,1147 29.679,1148 1.974,1149 18.29,1150 21.217,1151 13.387,1152 37.068,1153 16.722,1154 1738,1155 3913,1156 10.345,1157 18.29,1158 27.102,1159 27.218,1160 27.331,1161 26.666,1162 26.176,1163 33.004,1164 6.786,1165 81.768,1166 22.965,1167 5.409,1168 6.06,1169 6.432,1170 5.255,1171 5.35,1172 7.084,1173 3.768,1174 18.843,1175 5.044,1176 9.894,1177 1.594,1178 1.601,1179 1.608,1180 1.569,1181 1.54,1182 1.941,1183 0.399,1184 4.81,1185 1.351,1186 4,1187 4.007,1188 4.273,1189 3.923,1190 7.428,1191 3.929,1192 3.61,1193 3.619,1194 3.91,1195 3.544,1196 5.184,1197 3.528,1198 3.209,1199 3.221,1200 3.381,1201 3.107,1202 4.802,1203 3.087,1204 3.084,1205 3.119,1206 2.951,1207 2.923,1208 4.337,1209 2.916,1210 2.704,1211 2.753,1212 2.951,1213 2.584,1214 4.11,1215 2.554,1216 2.501,1217 2.522,1218 2.945,1219 2.244,1220 4.11,1221 2.246,1222 2.357,1223 2.376,1224 2.713,1225 2.078,1226 3.765,1227 2.122,1228 1.678,1229 1.796,1230 2.425,1231 1.238,1232 3.553,1233 1.222,1234 0.267,1235 0.239,1236 0.419,1237 0.245,1238 0.197,1239 4.544,1240 0.24,1241 4.06,1242 0.144,1243 7.13,1244 0.693,1245 4.158,1246 0.179,1247 3.35,1248 4.084,1249 2.441,1250 11.774,1251 3.044,1252 1.953,1253 1.942,1254 2.04,1255 2.046,1256 1.163,1257 2.042,1258 1.553,1259 1.543,1260 1.654,1261 1.676,1262 0.77,1263 1.683,1264 1.145,1265 1.1,1266 1.425,1267 1.328,1268 0.533,1269 1.375,1270 1.014,1271 1,1272 1.112,1273 1.174,1274 0.215,1275 1.166,1276 0.661,1277 0.618,1278 0.751,1279 0.842,1281 0.883,1282 0.429,1283 0.371,1284 0.618,1285 0.686,1287 0.686,1288 0.161,1289 0.178,1290 0.315,1291 0.492,1293 0.469,1296 0.057,1297 0.111,1299 0.151,1300 3.555,1302 4.934,1304 6.5,1306 8.151,1308 9.848,1310 1.891,1311 16.981,1318 5.366,1322 -1.724,1326 17.546,1327 39.582,1328 81.777,1329 89.777,1330 94.532,1331 94.532,1332 94.532,1333 29.391,1334 5.986,1335 30.21,1336 30.21,1337 12,1338 12.073,1339 3.17,1340 2.585,1341 25.816,1342 39,1343 32,1344 0.376,1345 119.854,1346 213.25,1347 284.203,1348 2251,1349 13,1350 11.922,1351 0.745,1352 0.658,1353 13.422,1354 10.528,1355 7.376,1356 0.434,1357 0.331,1358 4.543,1359 6.549,1360 4.298,1361 3.528,1362 8.126,1363 5.629,1364 7.854,1365 0.302,1366 0.221,1367 10.162,1368 5.754,1369 5.51,1370 0.178,1371 0.088,1372 6.122,1373 2.721,1374 4.27,1375 0.109,1376 0.043,1377 4.623,1378 1.689,1379 3.926,1380 0.074,1381 0.024,1382 4.432,1383 1.274,1384 0.549,1385 53.9,1386 0.311,1387 15.621,1388 1.154,1389 86,1390 310.081,1391 173.435,1392 383.904,1393 484.32,1394 352,1395 100,1396 278.497,1397 144.053,1398 309.642,1399 473.6,1400 289,1401 4.555}
{0 CHEMBL1376120,1 1.641,2 14.528,3 4.088,4 16.708,5 140.392,6 8.458,7 0.659,8 4.212,9 4.332,10 3.904,11 3.767,12 5.342,13 3.764,14 4.742,15 4.913,16 4.304,17 4.161,18 5.829,19 4.15,20 4.967,21 5.164,22 4.431,23 4.302,24 6.037,25 4.269,26 5.05,27 5.251,28 4.473,29 4.327,30 6.234,31 4.287,32 5.044,33 5.236,34 4.36,35 4.368,36 6.126,37 4.291,38 5.056,39 5.27,40 4.246,41 4.307,42 6.07,43 4.212,44 5.007,45 5.269,46 4.024,47 4.114,48 6.009,49 4.015,50 4.736,51 4.961,52 3.913,53 4.009,54 5.74,55 3.927,56 0.088,57 0.972,58 9.521,59 4.674,60 7.834,61 5.847,62 0.357,63 1.575,64 20.216,65 7.472,66 20.16,67 9.678,68 0.402,69 1.841,70 28.746,71 9.989,72 31.03,73 13.019,74 0.802,75 1.921,76 33.585,77 10.9,78 73.281,79 13.762,80 0.596,81 1.837,82 37.091,83 11.96,84 65.905,85 14.798,86 0.483,87 1.879,88 38.29,89 11.709,90 49.495,91 15.129,92 0.805,93 1.71,94 40.724,95 11.03,96 67.105,97 14.814,98 0.287,99 1.349,100 24.111,101 9.258,102 34.445,103 12.331,104 10,105 59,106 0.261,107 0.578,108 0.677,109 0.735,110 0.782,111 0.803,112 3.616,113 0.884,114 -5.85,115 -5.71,116 -5.31,120 44.1,121 1,126 4,143 10,144 2,145 2,146 1,147 1,148 1,149 1,154 1,159 1,162 1,167 2,174 8,176 4,177 15,185 10,188 2,189 10,197 4,200 9,201 12,209 7,213 2,214 6,222 8,227 9,235 5,239 6,240 12,247 2,252 4,263 5,264 11,271 2,274 2190,275 24.897,276 24.897,277 24.897,278 24.897,279 24.897,280 21.601,281 28.735,282 14.571,283 25.511,284 20.226,285 20.226,286 20.226,287 20.226,288 20.226,289 15.312,290 34.212,291 6.869,292 21.275,293 4.242,294 2.242,295 1.618,296 1.259,297 0.962,298 0.826,299 4.333,304 1,307 1,308 1179,309 3,312 186.188,313 450.135,316 156.312,320 2.165,321 30.467,324 0.75,325 0.33,326 1,327 0.6,329 1,330 1,331 0.67,332 77.333,333 523,334 4.672,335 3.782,336 6.954,337 4.239,338 3.291,339 4.622,340 1.2,341 11.637,342 3.118,343 4.637,344 3.354,345 6.877,346 4.198,347 3.248,348 4.366,349 0.8,350 11.5,351 3.084,352 4.108,353 3.284,354 6.321,355 3.791,356 2.852,357 3.634,358 0.293,359 9.541,360 2.68,361 4.049,362 3.011,363 6.259,364 3.689,365 2.731,366 3.531,368 9.249,369 2.611,370 3.714,371 2.591,372 5.692,373 3.379,374 2.418,375 3.049,377 7.471,378 2.314,379 3.591,380 2.465,381 5.544,382 3.191,383 2.237,384 2.926,386 7.008,387 2.126,388 3.203,389 2.273,390 4.906,391 2.773,392 1.821,393 2.434,395 5.004,396 1.738,397 3.102,398 2.177,399 4.781,400 2.698,401 1.747,402 2.33,404 4.878,405 1.649,406 3.043,407 1.755,408 4.552,409 2.516,410 1.578,411 2.255,413 4.314,414 1.453,415 2.929,416 1.662,417 4.128,418 2.467,419 1.543,420 2.07,422 3.678,423 1.422,424 2.791,425 1.546,426 4.065,427 2.328,428 1.378,429 1.875,431 3.355,432 1.269,433 2.547,434 1.397,435 3.861,436 2.146,437 1.184,438 1.555,440 2.901,441 1.12,442 2.5,443 1.146,444 3.494,445 2,446 1,447 1.5,449 2.478,450 1,451 2.5,452 1.02,453 3.489,454 2,455 1,456 1.5,458 2.275,459 1,460 2.5,461 1,462 3.414,463 1.967,464 1,465 1.5,467 2.136,468 0.965,469 17.248,470 0.479,471 0.816,472 0.023,473 51,474 1.417,475 26,476 0.722,477 25,478 0.694,479 30.6,480 0.85,481 36.752,482 0.623,483 40.232,484 1.118,485 10.172,486 0.283,487 7.442,488 0.207,489 0.09,491 0.354,496 0.662,497 1.381,498 0.587,499 1.019,500 0.542,501 0.891,502 0.84,503 1.175,504 0.692,505 0.886,506 0.622,507 0.836,508 1.026,509 1.176,510 0.812,511 0.945,512 0.82,513 0.894,514 1.146,515 0.877,516 0.925,517 0.885,518 1.419,519 0.913,520 1.455,521 1.013,522 1.388,523 1.067,524 1.743,525 1.082,526 1.3,527 1.207,528 1.481,529 1.274,530 1.027,531 1.256,532 1.273,533 0.691,534 1.255,535 0.898,536 1.226,537 0.958,538 0.943,539 1.001,540 0.751,541 0.99,542 1.151,543 0.987,544 5,545 0.246,546 4.667,547 3.326,548 1.958,549 1.411,550 0.923,551 0.484,552 0.222,553 0.274,554 22067,555 59715,556 2.185,557 39,559 18,561 2,563 3,567 1.771,568 2.077,569 3.779,570 -0.717,575 96.823,576 1.641,577 3.64,578 4.264,579 4.624,580 4.921,581 5.056,582 3.19,583 4.35,584 5.141,585 3.962,586 2496.33,587 9.018,588 39904.2,593 347.076,594 1.301,595 5.116,596 0.122,597 0.007,598 0.079,599 0.053,600 0.032,601 0.025,602 0.019,603 0.012,604 0.006,605 0.007,606 0.361,607 0.17,608 0.63,609 0.442,610 197.459,611 0.069,612 -0.224,613 0.055,614 -0.112,615 -0.003,616 -0.04,617 0.072,618 -0.044,619 0.064,620 0.006,621 0.023,622 0.031,623 -0.029,624 -0.121,625 0.089,626 -0.01,627 0.043,628 0.028,629 0.136,630 0.158,631 0.046,632 0.051,633 0.081,635 -0.241,636 -0.033,637 -0.229,638 -0.058,639 -0.293,640 -0.121,641 -0.26,642 -0.211,643 -0.317,644 -0.285,645 -0.16,646 -0.288,647 -0.072,648 0.265,649 -0.127,650 0.076,651 -0.056,652 0.04,653 -0.048,654 -0.067,655 0.057,656 0.007,657 0.003,658 0.033,659 1.774,660 6.432,661 0.889,662 40.917,663 1.009,664 1.126,665 4.616,666 21.312,667 0.703,668 3.738,669 4.094,670 4.454,671 4.771,672 4.984,673 5.081,674 5.278,675 5.429,676 5.525,677 5.649,678 8.253,679 0.677,680 499.02,681 3.738,682 5.303,683 6.192,684 7.096,685 7.999,686 8.909,687 9.817,688 10.731,689 11.643,690 12.558,691 13.6,697 1,698 1,699 2,701 4,708 2,709 12,710 4,714 6,715 2,716 27,724 1,732 1,737 1,738 59,739 28,740 2,741 41,743 64,744 26,745 20,746 2,747 10,748 1,752 6,753 7,754 1,759 1,768 21,769 5,772 1,778 1,782 1,789 23,790 7,792 10,793 1,797 8,803 0.833,804 1,814 2,817 1,822 2,823 4,826 1,855 5,859 1,860 1,862 36,869 4,875 2,885 1,886 1.7,889 1,893 17.333,894 11.16,895 7.806,896 3.575,898 4.992,899 1.561,900 1.037,901 6.016,902 13.894,903 4.034,904 4.677,905 5.346,906 5.984,907 6.475,908 6.804,909 7.271,910 7.673,911 7.932,912 8.255,913 0.9,914 63,915 13.301,917 5.787,918 7.67,919 25.439,921 21.273,924 2.17,925 78.111,929 270.735,930 155.525,931 76.699,932 39.149,933 25.145,936 155.525,937 335.029,938 76.699,939 8.825,940 11.547,941 94.762,942 122.004,943 41.444,944 41.477,945 247.193,947 270.735,948 232.224,949 25.145,950 39.149,952 270.735,953 25.145,956 49.135,957 116.191,958 66.897,959 39.149,960 270.735,961 101.844,962 194.674,965 270.735,966 34.271,967 131.055,969 131.191,970 270.735,971 101.844,972 194.674,973 0.586,974 0.363,975 0.209,976 0.109,977 31,978 13,979 0.063,980 4,981 1,982 1.063,983 4.681,984 365.124,985 0.063,986 32,987 174.117,993 22.865,994 9.472,995 4.109,996 1.629,997 98.291,998 22.84,999 18.102,1003 3.969,1004 3.428,1006 567.253,1007 55.5,1013 13.432,1017 -0.107,1020 59.534,1021 66.461,1022 0.279,1023 0.619,1024 0.725,1025 0.786,1026 0.836,1027 0.86,1028 5.282,1029 1.747,1030 6.184,1031 5.004,1032 4.779,1033 5.366,1034 1.577,1035 7.055,1036 4.678,1037 6.5,1038 1.578,1039 7.778,1040 4.878,1041 4.369,1042 5.156,1043 0.57,1044 8.076,1045 4.19,1046 7.82,1047 1.543,1048 9.478,1049 4.314,1050 6.422,1051 7.618,1052 1.608,1053 11.242,1054 6.218,1055 9.183,1056 1.378,1057 11.242,1058 3.678,1059 6.899,1060 8.323,1061 0.801,1062 13.12,1063 6.62,1064 10.583,1065 1.184,1066 13.047,1067 3.355,1068 8.391,1069 10.213,1070 1.786,1071 15.797,1072 8.081,1073 12.011,1074 1,1075 14.88,1076 2.901,1077 9.259,1078 11.345,1079 1.074,1080 18.001,1081 8.879,1082 13.461,1083 1,1084 16.732,1085 2.478,1086 10.542,1087 13.004,1088 2.015,1089 20.52,1090 10.122,1091 3.291,1092 1,1093 18.599,1094 2.275,1095 11.581,1096 14.338,1097 1.404,1098 22.857,1099 11.098,1100 3.248,1101 11.637,1102 20.477,1103 2.136,1104 12.787,1105 15.904,1106 2.275,1107 25.323,1108 12.258,1109 2.852,1110 11.5,1111 22.362,1112 4.622,1113 13.901,1114 17.332,1115 1.768,1116 27.718,1117 13.313,1118 2.731,1119 9.541,1120 24.254,1121 4.366,1122 15.081,1123 18.862,1124 2.556,1125 30.166,1126 14.444,1127 2.418,1128 9.249,1129 26.152,1130 3.634,1131 16.228,1132 20.335,1133 2.15,1134 32.587,1135 15.534,1136 2.237,1137 7.471,1138 28.054,1139 3.531,1140 17.403,1141 21.852,1142 2.853,1143 35.03,1144 16.657,1145 1.821,1146 7.008,1147 29.96,1148 3.049,1149 18.566,1150 23.346,1151 2.538,1152 37.464,1153 17.765,1154 20019,1155 33133,1156 28.145,1157 41.449,1158 63.584,1159 64.303,1160 64.623,1161 63.016,1162 62.773,1163 84.073,1164 4.586,1165 186.238,1166 59.583,1167 5.672,1168 5.782,1169 6.756,1170 5.323,1171 5.291,1172 7.622,1173 2.293,1174 19.193,1175 5.118,1176 13.659,1177 1.551,1178 1.568,1179 1.576,1180 1.537,1181 1.531,1182 2.051,1183 0.112,1184 4.542,1185 1.453,1186 4.131,1187 4.182,1188 4.135,1189 3.974,1190 7.428,1191 3.999,1192 4.036,1193 4.078,1194 4.085,1195 3.902,1196 5.159,1197 3.919,1198 3.851,1199 3.9,1200 3.778,1201 3.75,1202 5.048,1203 3.752,1204 3.789,1205 3.826,1206 3.741,1207 3.694,1208 4.751,1209 3.699,1210 3.694,1211 3.751,1212 3.64,1213 3.517,1214 4.688,1215 3.529,1216 3.27,1217 3.348,1218 3.294,1219 2.993,1220 4.52,1221 3.04,1222 3.135,1223 3.206,1224 3.204,1225 2.941,1226 4.372,1227 2.91,1228 3.111,1229 3.201,1230 3.065,1231 2.917,1232 4.291,1233 2.902,1234 0.114,1235 0.092,1236 0.17,1237 0.103,1238 0.08,1239 4.672,1240 0.113,1241 3.782,1242 0.029,1243 6.954,1244 0.284,1245 4.239,1246 0.076,1247 3.291,1248 4.622,1249 1.2,1250 11.637,1251 3.118,1252 1.923,1253 1.887,1254 2.024,1255 2.079,1256 1.289,1257 2.059,1258 1.899,1259 1.867,1260 2.013,1261 2.009,1262 1.091,1263 2.01,1264 1.84,1265 1.794,1266 1.982,1267 1.999,1268 1.081,1269 1.999,1270 1.696,1271 1.661,1272 1.788,1273 1.864,1274 0.908,1275 1.847,1276 1.544,1277 1.495,1278 1.733,1279 1.705,1280 0.862,1281 1.716,1282 1.301,1283 1.239,1284 1.513,1285 1.555,1286 0.825,1287 1.517,1288 1.253,1289 1.178,1290 1.383,1291 1.527,1292 0.513,1293 1.49,1294 1.153,1295 1.064,1296 1.365,1297 1.376,1298 0.366,1299 1.429,1300 4.419,1302 5.765,1303 3.045,1304 7.317,1305 5.476,1306 8.956,1307 7.636,1308 10.64,1310 1.816,1311 6.637,1315 2.364,1321 4,1326 39.928,1327 96.823,1328 214.783,1329 251.592,1330 272.811,1331 290.321,1332 298.321,1333 54.986,1334 8.902,1335 84.97,1336 84.97,1337 34,1338 13.07,1339 4.858,1340 3.954,1341 49.285,1342 185,1343 166,1344 0.132,1345 244.438,1346 407.38,1347 588.189,1348 111264,1349 1.7,1350 24.648,1351 0.685,1352 0.566,1353 25.148,1354 20.376,1355 17.614,1356 0.43,1357 0.295,1358 11.559,1359 16.653,1360 11.296,1361 9.307,1362 17.903,1363 12.083,1364 15.807,1365 0.268,1366 0.152,1367 16.14,1368 8.962,1369 14.425,1370 0.17,1371 0.08,1372 14.831,1373 6.78,1374 12.826,1375 0.11,1376 0.042,1377 13.346,1378 4.957,1379 10.101,1380 0.07,1381 0.023,1382 10.423,1383 3.292,1384 0.212,1385 113.433,1386 0.188,1387 33.153,1388 0.352,1389 200,1390 573.1,1391 236.091,1392 589.794,1393 820.66,1394 554,1395 244,1396 613.451,1397 281.6,1398 626.291,1399 929.92,1400 591,1401 5.296}
{0 CHEMBL1376516,1 1.614,2 13.086,3 5.081,4 25.82,5 135.82,6 8.066,7 0.474,8 4.209,9 4.311,10 3.836,11 3.762,12 5.37,13 3.75,14 4.712,15 4.854,16 4.192,17 4.124,18 5.875,19 4.095,20 4.922,21 5.086,22 4.301,23 4.269,24 6.018,25 4.226,26 5.012,27 5.18,28 4.322,29 4.287,30 6.185,31 4.25,32 5.075,33 5.244,34 4.38,35 4.35,36 6.232,37 4.321,38 5.162,39 5.333,40 4.426,41 4.41,42 6.378,43 4.37,44 5.243,45 5.456,46 4.304,47 4.412,48 6.336,49 4.33,50 5.166,51 5.396,52 4.145,53 4.339,54 6.177,55 4.208,56 0.075,57 0.823,58 11.087,59 5.507,60 12.162,61 6.628,62 0.427,63 1.286,64 21.974,65 9.324,66 39.225,67 11.219,68 0.447,69 1.559,70 29.962,71 11.355,72 44.628,73 14.093,74 0.63,75 1.678,76 32.894,77 11.994,78 66.295,79 14.753,80 0.557,81 1.793,82 33.175,83 12.799,84 63.586,85 15.556,86 0.756,87 1.98,88 38.195,89 13.482,90 90.064,91 16.559,92 0.951,93 2.077,94 42.699,95 15.298,96 96.408,97 19.72,98 0.727,99 1.894,100 40.465,101 15.578,102 74.346,103 20.908,104 32,105 52,106 0.258,107 0.588,108 0.755,109 0.852,110 0.867,111 0.867,112 3.589,113 0.908,114 -5.17,115 -5.06,116 -4.74,120 44.3,121 1,125 1,126 2,128 1,137 1,139 1,143 12,144 3,145 3,159 1,160 1,164 1,165 1,166 1,174 13,176 1,177 8,179 1,180 2,181 1,182 2,184 1,185 16,188 1,189 8,194 2,197 12,200 2,201 12,204 2,206 5,209 7,211 3,214 13,217 1,219 6,222 9,224 4,227 12,229 2,230 3,232 6,235 16,237 3,239 3,240 5,242 1,243 1,245 2,247 17,249 1,251 3,252 3,254 1,255 1,257 2,260 11,262 1,264 6,269 2,271 6,274 2377,275 23.878,276 23.878,277 23.878,278 23.878,279 23.878,280 21.078,281 27.616,282 14.276,283 24.639,284 18.673,285 18.673,286 18.673,287 18.673,288 18.673,289 14.395,290 33.722,291 6.636,292 19.757,293 4.317,294 2.256,295 1.214,296 0.607,297 0.517,298 0.517,299 4.283,303 1,307 1,308 978,309 3.606,313 492.26,320 2.026,321 37.171,324 1,325 0.83,326 0.83,327 0.6,328 0.5,329 1,330 1,331 0.82,332 75.833,333 458,334 4.597,335 3.824,336 6.967,337 4.253,338 3.274,339 4.127,340 1.674,341 11.829,342 3.206,343 4.267,344 3.327,345 6.232,346 3.857,347 2.901,348 3.896,349 1.305,350 9.344,351 2.777,352 4.01,353 3.187,354 6.014,355 3.596,356 2.627,357 3.613,358 1.151,359 8.542,360 2.538,361 3.877,362 2.969,363 5.556,364 3.534,365 2.565,366 3.308,367 1.087,368 7.161,369 2.481,370 3.68,371 2.851,372 5.409,373 3.291,374 2.338,375 2.913,376 0.86,377 7.014,378 2.218,379 3.576,380 2.642,381 5.045,382 3.111,383 2.177,384 2.886,385 0.152,386 6.06,387 2.022,388 3.411,389 2.607,390 4.89,391 2.984,392 2.085,393 2.696,395 5.693,396 1.781,397 3.134,398 2.116,399 4.509,400 2.675,401 1.709,402 2.284,404 4.324,405 1.644,406 2.918,407 1.979,408 4.439,409 2.516,410 1.602,411 2.057,413 4.245,414 1.455,415 2.752,416 1.803,417 4.296,418 2.374,419 1.423,420 1.78,422 3.783,423 1.341,424 2.5,425 1.668,426 3.572,427 2.054,428 1.098,429 1.5,431 2.676,432 1.045,433 2.5,434 1.243,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.443,443 1.159,444 3.299,445 2,446 1,447 1.398,449 2.136,450 1,451 2.092,452 1,453 3.247,454 1.861,455 0.895,456 1.012,458 1.845,459 0.85,460 1.993,461 1,462 3.189,463 1.675,464 0.767,465 0.905,467 1.513,468 0.681,469 16.748,470 0.479,471 0.763,472 0.022,473 45.75,474 1.307,475 23.5,476 0.671,477 22.25,478 0.636,479 31.039,480 0.887,481 37.252,482 0.611,483 39.976,484 1.142,485 9.543,486 0.273,487 7.452,488 0.213,489 0.146,491 0.328,496 0.832,497 1.167,498 0.66,499 0.988,500 0.766,501 0.888,502 0.994,503 0.933,504 0.748,505 0.874,506 0.658,507 0.862,508 1.026,509 1.119,510 0.937,511 1.014,512 0.881,513 0.96,514 1.181,515 1.086,516 0.938,517 1.017,518 1.295,519 0.986,520 1.29,521 1.132,522 0.765,523 0.944,524 1.324,525 0.917,526 1.209,527 1.149,528 0.99,529 1.095,530 1.305,531 1.077,532 1.048,533 0.944,534 0.847,535 0.922,536 1.143,537 0.997,538 0.653,539 1.056,540 0.836,541 1.081,542 0.641,543 1.132,544 6.5,545 0.173,546 3.778,547 2.125,548 2.431,549 1.785,550 0.894,551 0.755,552 0.512,553 0.254,554 17098,555 51124,556 2.058,557 42.6,559 20,562 3,564 3,567 1.771,568 1.927,569 3.583,570 0.792,575 98.427,576 1.614,577 3.675,578 4.717,579 5.324,580 5.414,581 5.414,582 3.086,583 4.901,584 5.095,585 3.795,586 2257.98,587 8.974,588 34691.6,593 361.775,594 1.404,595 5.06,596 0.171,597 0.006,598 0.073,599 0.037,600 0.042,601 0.028,602 0.014,603 0.014,604 0.012,605 0.007,606 0.404,607 0.17,608 0.88,609 1.077,610 188.091,611 -0.063,612 -0.033,613 0.023,614 -0.019,615 -0.118,616 0.023,617 0.037,618 0.125,619 0.049,620 0.094,621 0.089,622 0.064,623 -0.039,624 -0.074,625 -0.03,626 -0.041,627 -0.059,628 -0.016,629 -0.027,630 -0.044,631 -0.074,632 -0.071,633 -0.049,634 -0.065,635 -0.133,636 -0.104,637 -0.006,638 -0.006,639 -0.062,640 0.005,641 -0.062,642 -0.084,643 -0.149,644 -0.167,645 -0.022,646 -0.17,647 0.007,648 0.062,649 -0.053,650 0.011,651 -0.05,652 -0.043,653 0.153,654 -0.102,655 -0.002,656 -0.105,657 0.091,658 -0.118,659 2.137,660 6.081,661 0.686,662 40.478,663 1.009,664 1.119,665 3.936,666 15.493,667 0.686,668 3.664,669 3.97,670 4.248,671 4.533,672 4.82,673 4.89,674 5.011,675 5.142,676 5.247,677 5.273,678 7.488,679 0.657,680 492.01,681 3.664,682 5.198,683 6.047,684 6.927,685 7.801,686 8.69,687 9.576,688 10.47,689 11.362,690 12.26,691 4.9,692 1,693 1,700 1,709 12,714 6,716 18,735 2,737 1,738 61,739 21,740 3,741 38,743 64,744 27,745 18,746 6,747 12,748 4,752 4,753 4,754 1,756 1,759 1,763 1,766 1,768 22,769 5,772 3,778 1,781 1,782 4,789 26,790 7,791 3,792 8,793 1,797 3,803 1,804 4,823 4,841 1,845 1,846 1,848 1,849 1,855 4,859 2,860 1,862 35,863 1,869 2,871 1,872 3,874 1,885 1,886 6.6,889 1,891 3,893 18.167,894 11.426,895 7.917,896 3.518,898 3.486,899 1.439,900 0.975,901 8.209,902 11.426,903 3.932,904 4.505,905 5.058,906 5.609,907 6.177,908 6.356,909 6.709,910 7.1,911 7.487,912 7.749,913 0.889,914 57,915 12.927,917 5.438,918 7.789,919 24.329,921 19.416,924 2.289,925 80.111,929 270.735,930 181.185,931 67.693,932 39.149,933 58.145,936 181.185,937 368.029,938 67.693,939 19.708,940 42.082,941 131.726,942 35.093,943 76.515,944 1.899,945 270.735,946 39.149,947 270.735,948 248.878,949 58.145,950 39.149,952 235.422,953 93.458,956 85.703,957 160.418,958 41.905,960 270.735,961 125.838,962 220.334,965 270.735,966 47.762,967 133.423,968 18.011,969 146.976,970 270.735,971 125.838,972 220.334,973 0.57,974 0.337,975 0.19,976 0.114,977 23,978 11,979 0.141,980 9,982 1,983 4.409,984 335.197,986 24,987 171.525,993 24.953,994 11.515,995 5.919,997 125.838,998 22.317,1003 4.227,1005 50.908,1006 616.907,1007 50,1013 13.081,1016 4.439,1017 0.558,1020 61.542,1021 68.259,1022 0.272,1023 0.62,1024 0.795,1025 0.898,1026 0.913,1027 0.913,1028 5.162,1029 1.709,1030 6.023,1031 5.693,1032 4.654,1033 5.193,1034 2.744,1035 6.836,1036 4.557,1037 6.363,1038 1.602,1039 7.58,1040 4.324,1041 4.205,1042 4.913,1043 1.09,1044 7.761,1045 4.059,1046 7.666,1047 1.423,1048 9.24,1049 4.245,1050 6.24,1051 7.341,1052 3.293,1053 10.889,1054 6.077,1055 9.005,1056 1.098,1057 10.962,1058 3.783,1059 6.621,1060 7.85,1061 1.644,1062 12.688,1063 6.425,1064 10.375,1065 1,1066 12.726,1067 2.676,1068 8.115,1069 9.753,1070 4.063,1071 15.352,1072 7.905,1073 11.768,1074 1,1075 14.52,1076 2.275,1077 8.893,1078 10.646,1079 2.119,1080 17.53,1081 8.659,1082 13.178,1083 0.895,1084 16.338,1085 2.136,1086 10.169,1087 12.309,1088 4.96,1089 20.045,1090 9.921,1091 3.274,1092 0.767,1093 18.174,1094 1.845,1095 11.144,1096 13.413,1097 2.589,1098 22.387,1099 10.876,1100 2.901,1101 11.829,1102 20.025,1103 1.513,1104 12.336,1105 14.95,1106 5.923,1107 24.859,1108 12.054,1109 2.627,1110 9.344,1111 21.888,1112 4.127,1113 13.409,1114 16.177,1115 3.069,1116 27.271,1117 13.107,1118 2.565,1119 8.542,1120 23.762,1121 3.896,1122 14.573,1123 17.647,1124 6.919,1125 29.733,1126 14.257,1127 2.338,1128 7.161,1129 25.645,1130 3.613,1131 15.694,1132 18.945,1133 3.562,1134 32.176,1135 15.359,1136 2.177,1137 7.014,1138 27.535,1139 3.308,1140 16.854,1141 20.38,1142 7.932,1143 34.638,1144 16.503,1145 2.085,1146 6.06,1147 29.433,1148 2.913,1149 17.999,1150 21.72,1151 4.066,1152 37.094,1153 17.63,1154 16489,1155 28663,1156 25.255,1157 41.83,1158 56.633,1159 57.694,1160 58.301,1161 55.986,1162 55.841,1163 72.782,1164 12.46,1165 158.383,1166 52.859,1167 5.502,1168 5.824,1169 6.769,1170 5.329,1171 5.274,1172 7.127,1173 3.349,1174 19.256,1175 5.206,1176 17.897,1177 1.49,1178 1.518,1179 1.534,1180 1.473,1181 1.469,1182 1.915,1183 0.328,1184 4.168,1185 1.391,1186 4.042,1187 4.067,1188 4.022,1189 3.958,1190 7.433,1191 3.964,1192 3.917,1193 3.939,1194 3.967,1195 3.858,1196 5.161,1197 3.852,1198 3.864,1199 3.887,1200 3.827,1201 3.807,1202 4.968,1203 3.803,1204 3.689,1205 3.723,1206 3.636,1207 3.534,1208 4.887,1209 3.555,1210 3.513,1211 3.575,1212 3.411,1213 3.275,1214 4.761,1215 3.279,1216 3.256,1217 3.323,1218 3.383,1219 3.077,1220 4.487,1221 3.077,1222 3.24,1223 3.289,1224 3.108,1225 2.974,1226 4.485,1227 2.997,1228 3.21,1229 3.251,1230 3.064,1231 2.955,1232 4.381,1233 2.981,1234 0.121,1235 0.101,1236 0.183,1237 0.112,1238 0.086,1239 4.597,1240 0.109,1241 3.824,1242 0.044,1243 6.967,1244 0.311,1245 4.253,1246 0.084,1247 3.274,1248 4.127,1249 1.674,1250 11.829,1251 3.206,1252 1.977,1253 1.956,1254 2.061,1255 2.083,1256 1.237,1257 2.074,1258 1.905,1259 1.885,1260 2.007,1261 1.992,1262 1.135,1263 2,1264 1.862,1265 1.84,1266 1.966,1267 1.939,1268 1.074,1269 1.952,1270 1.619,1271 1.591,1272 1.809,1273 1.815,1274 0.94,1275 1.802,1276 1.467,1277 1.396,1278 1.698,1279 1.728,1280 0.812,1281 1.734,1282 1.196,1283 1.143,1284 1.564,1285 1.51,1286 0.585,1287 1.528,1288 1.177,1289 1.122,1290 1.402,1291 1.429,1292 0.569,1293 1.416,1294 1.107,1295 1.046,1296 1.299,1297 1.38,1298 0.288,1299 1.371,1300 4.344,1302 5.652,1304 7.166,1306 8.777,1308 10.443,1310 3.329,1311 5.96,1313 6.137,1315 0.581,1317 3.116,1318 16.963,1320 -0.596,1326 40.072,1327 98.427,1328 224.172,1329 287.736,1330 324.755,1331 330.265,1332 330.265,1333 70.19,1334 7.94,1335 95.17,1336 95.17,1337 24,1338 12.785,1339 4.459,1340 3.7,1341 59.292,1342 153,1343 197,1344 0.185,1345 249.762,1346 445.21,1347 601.179,1348 31128,1349 1.6,1350 24.786,1351 0.708,1352 0.577,1353 25.286,1354 20.211,1355 16.995,1356 0.447,1357 0.303,1358 10.988,1359 16.032,1360 10.67,1361 8.869,1362 17.283,1363 11.502,1364 14.85,1365 0.286,1366 0.157,1367 15.259,1368 8.185,1369 12.386,1370 0.18,1371 0.082,1372 12.674,1373 5.691,1374 10.424,1375 0.113,1376 0.042,1377 10.591,1378 3.91,1379 8.92,1380 0.073,1381 0.023,1382 9.155,1383 2.846,1384 0.29,1385 109.758,1386 0.199,1387 32.042,1388 0.514,1389 180,1390 562.436,1391 213.109,1392 565.459,1393 761.97,1394 530,1395 211,1396 532.587,1397 237.991,1398 548.707,1399 803.92,1400 515,1401 4.602}
{0 CHEMBL1376674,1 1.607,2 9.833,3 4.618,4 21.33,5 99.124,6 7.738,7 0.593,8 3.894,9 4.007,10 3.569,11 3.472,12 4.924,13 3.429,14 4.451,15 4.633,16 3.917,17 3.878,18 5.395,19 3.809,20 4.667,21 4.883,22 4.026,23 4.003,24 5.562,25 3.913,26 4.725,27 4.953,28 3.996,29 4.05,30 5.626,31 3.915,32 4.714,33 4.958,34 3.912,35 4.037,36 5.552,37 3.861,38 4.567,39 4.788,40 3.712,41 3.864,42 5.471,43 3.702,44 4.34,45 4.578,46 3.431,47 3.522,48 5.283,49 3.42,50 4.051,51 4.262,52 3.214,53 3.38,54 4.965,55 3.274,56 0.022,57 0.683,58 9.636,59 4.05,60 7.563,61 5.294,62 0.195,63 1.123,64 18.847,65 7.143,66 17.972,67 9.186,68 0.236,69 1.37,70 25.636,71 8.601,72 21.66,73 11.842,74 0.263,75 1.436,76 27.154,77 10.03,78 27.734,79 13.149,80 0.227,81 1.42,82 33.31,83 11.221,84 26.846,85 13.837,86 0.241,87 1.243,88 30.156,89 9.582,90 25.43,91 11.475,92 0.287,93 0.954,94 19.832,95 5.597,96 25.392,97 7.532,98 0.119,99 0.713,100 12.341,101 4.47,102 14.391,103 6.096,104 6,105 38,106 0.278,107 0.61,108 0.791,109 0.844,110 0.844,111 0.844,112 3.229,113 1.007,114 -4.25,115 -4.19,116 -3.96,120 40.9,121 1,122 3,125 1,126 1,128 1,143 4,144 1,145 1,147 2,148 1,149 1,153 1,174 6,176 2,177 6,185 6,188 1,189 6,197 3,200 3,201 8,209 1,214 5,226 1,227 10,239 1,240 6,247 3,260 7,263 2,271 8,274 756,275 16.715,276 16.715,277 16.715,278 16.715,279 16.715,280 14.929,281 15.573,282 9.79,283 17.264,284 13.258,285 13.258,286 13.258,287 13.258,288 13.258,289 10.509,290 22.24,291 4.521,292 14.048,293 3.852,294 1.931,295 0.887,296 0.58,297 0.58,298 0.58,299 3.93,306 1,307 1,308 518,309 2.236,312 45.74,313 189.758,316 86.663,320 1.597,321 14.486,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51,333 236,334 4.677,335 3.377,336 6.911,337 4.213,338 3.269,339 4.624,340 0.86,341 11.615,342 3.088,343 4.16,344 3.049,345 6.454,346 3.865,347 2.913,348 3.724,349 0.8,350 9.956,351 2.767,352 3.879,353 2.815,354 5.811,355 3.52,356 2.566,357 3.268,359 7.821,360 2.442,361 3.549,362 2.425,363 5.321,364 3.228,365 2.283,366 2.759,368 6.756,369 2.148,370 3.151,371 1.913,372 5.032,373 2.788,374 1.83,375 2.326,377 5.489,378 1.747,379 3.047,380 1.549,381 4.346,382 2.439,383 1.548,384 2.319,386 3.782,387 1.398,388 2.575,389 1.471,390 4.045,391 2.403,392 1.414,393 1.609,395 3.428,396 1.371,397 2.5,398 1.373,399 3.848,400 2.194,401 1.25,402 1.5,404 3.014,405 1.17,406 2.414,407 1.157,408 3.586,409 2.007,410 1.067,411 1.414,413 2.706,414 1,415 2.394,416 1,417 3.414,418 2,419 1,420 1.375,422 2.275,423 1,424 2.01,425 0.968,426 3.294,427 1.611,428 0.69,429 0.884,431 1.632,432 0.627,433 1.635,434 0.663,435 2.8,436 1.317,437 0.446,438 0.517,440 0.714,441 0.384,442 1.047,443 -0.064,444 2.555,445 0.833,446 -0.134,447 -0.146,449 -0.298,450 -0.129,451 0.845,452 -0.235,453 2.343,454 0.46,455 -0.474,456 -0.589,458 -0.97,459 -0.437,460 0.621,461 -0.533,462 2.163,463 0.317,464 -0.63,465 -0.739,467 -1.502,468 -0.593,469 11.767,470 0.49,471 0.483,472 0.02,473 31,474 1.292,475 15,476 0.625,477 16,478 0.667,479 20.939,480 0.872,481 25.433,482 0.578,483 19.227,484 0.801,485 5.578,486 0.232,487 6.197,488 0.258,489 0.085,491 0.331,496 0.808,497 1.404,498 0.716,499 1.072,500 0.742,501 0.968,502 1.157,503 0.966,504 0.766,505 0.779,506 0.844,507 0.812,508 0.926,509 1.093,510 0.755,511 0.898,512 0.668,513 0.873,514 0.83,515 0.971,516 0.872,517 0.893,518 0.871,519 0.959,520 0.808,521 1.002,522 1.321,523 1.143,524 1.033,525 0.968,526 0.944,527 1.267,528 1.681,529 1.486,530 1.09,531 1.18,532 1.389,533 1.033,534 1.159,535 1.018,536 1.565,537 1.043,538 1.22,539 0.942,540 0.952,541 0.905,542 1.313,543 1.079,544 3.5,545 0.091,546 3.111,547 1.66,548 1.143,549 0.712,550 0.553,551 0.277,552 0.142,553 0.098,554 6268,555 14755,556 2.161,557 45.5,558 2,559 10,561 1,564 7,567 1.67,568 2.057,569 3.25,570 -0.74,575 70.718,576 1.607,577 3.528,578 4.573,579 4.88,580 4.88,581 4.88,582 2.772,583 4.335,584 4.552,585 3.373,586 930.812,587 7.866,588 10525.1,590 1,593 240.215,594 1.281,595 4.532,596 0.13,597 0.01,598 0.082,599 0.041,600 0.031,601 0.022,602 0.02,603 0.013,604 0.008,605 0.007,606 0.363,607 0.33,608 1,609 0.681,610 112.606,611 0.051,612 -0.281,613 0.11,614 -0.102,615 0.087,616 -0.022,617 -0.025,618 0.098,619 0.106,620 0.147,621 0.112,622 0.12,623 0.037,624 -0.072,625 0.155,626 0.039,627 0.19,628 0.082,629 0.044,630 0.046,631 0.083,632 0.074,633 0.071,634 0.009,635 -0.074,636 0.037,637 -0.035,638 0.038,639 -0.098,640 0.058,641 -0.047,642 -0.181,643 -0.302,644 -0.261,645 -0.06,646 -0.173,647 -0.133,648 0.043,649 -0.201,650 -0.134,651 -0.246,652 -0.15,653 -0.242,654 0.094,655 -0.18,656 -0.059,657 -0.268,658 -0.158,659 0.823,660 1.734,661 0.875,662 19.75,663 0.997,664 1.124,665 3.025,666 9.15,667 0.687,668 3.332,669 3.664,670 4.007,671 4.304,672 4.543,673 4.644,674 4.82,675 4.97,676 5.024,677 5.094,678 5.598,679 0.641,680 340.49,681 3.332,682 4.875,683 5.753,684 6.645,685 7.541,686 8.442,687 9.345,688 10.252,689 11.159,690 12.069,691 9.1,697 1,701 3,708 2,709 5,710 3,713 1,714 4,716 16,732 1,735 1,738 44,739 16,740 1,741 27,743 47,744 18,745 11,746 2,747 4,752 4,753 5,759 1,763 4,766 4,768 11,769 7,786 1,789 20,790 5,792 6,793 1,795 1,797 4,803 0.75,804 1,817 1,822 1,823 3,826 1,855 3,857 1,859 2,862 24,869 4,872 1,874 1,875 1,886 2.3,891 1,893 11.667,894 8.633,895 5.333,896 2.839,898 3.262,899 1.435,900 0.997,901 4.361,902 10.768,903 3.584,904 4.201,905 4.868,906 5.517,907 6.076,908 6.472,909 6.963,910 7.42,911 7.701,912 8.055,913 0.857,914 40,915 8.861,917 3.74,918 7.486,919 17.442,921 14.596,924 1.986,925 47.667,928 1,929 235.422,930 123.397,931 51.671,933 11,935 31.052,936 92.345,937 246.422,938 51.671,939 19.708,940 9.709,941 37.905,942 60.318,943 36.073,944 3.074,945 254.703,947 235.422,948 144.016,949 11,950 31.052,952 153.024,953 93.398,956 32.054,957 63.415,958 48.547,959 31.052,960 235.422,961 62.671,962 123.397,965 235.422,966 57.165,967 69.356,969 59.547,970 235.422,971 62.671,972 123.397,973 0.578,974 0.358,975 0.199,976 0.107,977 20,978 8,979 0.064,980 3,981 1,982 1.095,983 3.607,984 205.701,985 0.095,986 21,987 106.039,989 1,993 15.768,994 6.637,995 2.895,996 2.019,997 62.671,998 9.627,999 13.773,1002 1.493,1003 3.851,1006 421.49,1007 35,1020 43.88,1021 49.444,1022 0.294,1023 0.646,1024 0.838,1025 0.894,1026 0.894,1027 0.894,1028 4.82,1029 1.25,1030 5.733,1031 3.428,1032 4.344,1033 4.887,1034 1.235,1035 6.583,1036 4.234,1037 6.019,1038 1.067,1039 7.313,1040 3.014,1041 3.892,1042 4.677,1043 0.325,1044 7.582,1045 3.724,1046 7.33,1047 1,1048 8.998,1049 2.706,1050 5.964,1051 7.137,1052 0.938,1053 10.727,1054 5.75,1055 8.685,1056 0.69,1057 10.748,1058 2.275,1059 6.399,1060 7.853,1061 0.268,1062 12.591,1063 6.114,1064 10.079,1065 0.446,1066 12.54,1067 1.632,1068 7.901,1069 9.746,1070 0.732,1071 15.254,1072 7.579,1073 11.501,1074 -0.134,1075 14.361,1076 0.714,1077 8.735,1078 10.892,1079 0.188,1080 17.451,1081 8.341,1082 12.944,1083 -0.474,1084 16.203,1085 -0.298,1086 10.017,1087 12.561,1088 0.57,1089 19.961,1090 9.584,1091 3.269,1092 -0.63,1093 18.06,1094 -0.97,1095 11.033,1096 13.911,1097 0.125,1098 22.294,1099 10.53,1100 2.913,1101 11.615,1102 19.928,1103 -1.502,1104 12.233,1105 15.489,1106 0.438,1107 24.754,1108 11.683,1109 2.566,1110 9.956,1111 21.806,1112 4.624,1113 13.329,1114 16.934,1115 0.082,1116 27.145,1117 12.715,1118 2.283,1119 7.821,1120 23.691,1121 3.724,1122 14.502,1123 18.477,1124 0.334,1125 29.589,1126 13.836,1127 1.83,1128 6.756,1129 25.581,1130 3.268,1131 15.636,1132 19.967,1133 0.054,1134 32.007,1135 14.908,1136 1.548,1137 5.489,1138 27.477,1139 2.759,1140 16.801,1141 21.499,1142 0.252,1143 34.448,1144 16.02,1145 1.414,1146 3.782,1147 29.377,1148 2.326,1149 17.954,1150 23.009,1151 0.035,1152 36.879,1153 17.113,1154 5960,1155 9328,1156 18.493,1157 30.216,1158 40.874,1159 40.925,1160 42.198,1161 40.505,1162 40.551,1163 52.637,1164 3.32,1165 118.375,1166 38.284,1167 5.677,1168 5.377,1169 6.596,1170 5.294,1171 5.269,1172 7.624,1173 1.72,1174 19.239,1175 5.088,1176 8.93,1177 1.514,1178 1.516,1179 1.563,1180 1.5,1181 1.502,1182 1.95,1183 0.123,1184 4.384,1185 1.418,1186 4.089,1187 4.116,1188 4.318,1189 4.031,1190 5.098,1191 4.009,1192 3.869,1193 3.913,1194 3.812,1195 3.769,1196 4.848,1197 3.765,1198 3.768,1199 3.808,1200 3.717,1201 3.666,1202 4.518,1203 3.647,1204 3.298,1205 3.381,1206 3.355,1207 3.13,1208 4.322,1209 3.106,1210 3.281,1211 3.344,1212 3.118,1213 3.063,1214 4.262,1215 3.078,1216 3.143,1217 3.215,1218 3.059,1219 2.929,1220 3.859,1221 2.908,1222 3.037,1223 3.128,1224 2.904,1225 2.832,1226 3.786,1227 2.821,1228 2.854,1229 2.925,1230 2.702,1231 2.735,1232 3.674,1233 2.715,1234 0.173,1235 0.125,1236 0.256,1237 0.156,1238 0.121,1239 4.677,1240 0.171,1241 3.377,1242 0.032,1243 6.911,1244 0.43,1245 4.213,1246 0.114,1247 3.269,1248 4.624,1249 0.86,1250 11.615,1251 3.088,1252 1.932,1253 1.908,1254 2.069,1255 2.066,1256 1.421,1257 2.067,1258 1.864,1259 1.817,1260 2.003,1261 1.99,1262 1.116,1263 1.996,1264 1.684,1265 1.647,1266 1.74,1267 1.832,1268 0.921,1269 1.824,1270 1.329,1271 1.245,1272 1.673,1273 1.542,1274 0.888,1275 1.592,1276 1.254,1277 1.219,1278 1.568,1279 1.523,1280 0.65,1281 1.538,1282 1.104,1283 1.032,1284 1.408,1285 1.327,1286 0.575,1287 1.355,1288 1.011,1289 0.923,1290 1.181,1291 1.216,1292 0.323,1293 1.245,1294 0.886,1295 0.821,1296 1.155,1297 1.062,1298 0.237,1299 1.107,1300 4.007,1302 5.333,1303 2.398,1304 6.874,1305 4.727,1306 8.511,1307 6.862,1308 10.195,1310 3.949,1315 4.796,1318 5.234,1320 0.517,1321 2.406,1326 28.202,1327 70.718,1328 155.247,1329 201.195,1330 214.705,1331 214.705,1332 214.705,1333 28.502,1334 7.505,1335 51.14,1336 79.38,1337 23,1338 12.585,1339 4.087,1340 3.17,1341 33.818,1342 80,1343 95,1344 0.213,1345 175.672,1346 290.64,1347 420.399,1348 17893,1350 16.518,1351 0.688,1352 0.613,1353 16.872,1354 14.714,1355 11.775,1356 0.436,1357 0.336,1358 8.244,1359 10.891,1360 7.942,1361 6.607,1362 12.229,1363 9.065,1364 10.278,1365 0.27,1366 0.183,1367 10.803,1368 6.946,1369 9.36,1370 0.173,1371 0.102,1372 10.08,1373 5.508,1374 8.016,1375 0.11,1376 0.057,1377 8.94,1378 4.169,1379 6.515,1380 0.07,1381 0.032,1382 7.362,1383 2.954,1384 0.327,1385 78.208,1386 0.233,1387 23.123,1388 0.607,1389 130,1390 349.176,1391 163.182,1392 359.44,1393 506.7,1394 340,1395 157,1396 370.667,1397 192.394,1398 394.176,1399 579.37,1400 370,1401 6.796}
{0 CHEMBL1377712,1 1.653,2 10.269,3 3.315,4 10.992,5 97.918,6 8.659,7 0.571,8 3.804,9 3.904,10 3.49,11 3.387,12 5.134,13 3.392,14 4.256,15 4.385,16 3.829,17 3.758,18 5.645,19 3.751,20 4.48,21 4.637,22 3.885,23 3.873,24 5.784,25 3.847,26 4.576,27 4.766,28 3.824,29 3.83,30 5.954,31 3.791,32 4.453,33 4.636,34 3.737,35 3.715,36 5.835,37 3.683,38 4.398,39 4.591,40 3.703,41 3.619,42 5.821,43 3.602,44 4.247,45 4.412,46 3.653,47 3.5,48 5.936,49 3.506,50 4.161,51 4.34,52 3.438,53 3.385,54 5.672,55 3.381,56 0.151,57 0.587,58 5.58,59 3.117,60 7.878,61 3.53,62 0.287,63 0.894,64 10.306,65 5.122,66 45.905,67 5.916,68 0.247,69 1.09,70 14.151,71 6.682,72 31.795,73 7.817,74 0.469,75 1.15,76 18.602,77 7.429,78 87.453,79 8.759,80 0.413,81 1.004,82 16.248,83 6.528,84 59.704,85 7.733,86 0.471,87 0.947,88 16.579,89 6.191,90 72.462,91 7.391,92 0.435,93 0.834,94 12.669,95 4.836,96 98.599,97 5.56,98 0.362,99 0.786,100 11.737,101 4.02,102 68.259,103 4.085,104 30,105 39,106 0.285,107 0.632,108 0.755,109 0.858,110 0.887,111 0.887,112 3.304,113 0.826,114 -3.73,115 -3.7,116 -3.52,120 47.5,125 1,136 1,137 1,143 8,144 2,145 2,152 1,153 1,159 2,167 2,174 9,176 1,177 7,180 1,182 3,185 10,189 10,194 2,197 7,200 1,201 9,204 2,206 2,209 6,214 5,217 2,219 1,222 6,226 3,227 6,230 1,232 1,235 5,239 2,240 8,245 2,247 4,251 1,252 8,257 1,260 4,263 2,264 4,271 6,274 1026,275 17.37,276 17.37,277 17.37,278 17.37,279 17.37,280 14.749,281 17.933,282 10.161,283 17.566,284 13.738,285 13.738,286 13.738,287 13.738,288 13.738,289 9.681,290 22.347,291 4.706,292 14.035,293 3.669,294 1.649,295 0.938,296 0.338,297 0.169,298 0.169,299 3.982,305 1,306 1,307 1,308 566,309 3.873,312 60.646,313 166.993,316 113.378,320 1.577,321 32.853,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 57,333 267,334 4.642,335 4.099,336 6.725,337 4.162,338 3.186,339 4.608,340 2.612,341 10.941,342 3.114,343 4.295,344 3.78,345 6.074,346 3.848,347 2.867,348 3.981,349 2.035,350 8.789,351 2.812,352 4.181,353 3.498,354 5.955,355 3.703,356 2.714,357 3.587,358 1.058,359 8.347,360 2.675,361 3.72,362 3.191,363 5.447,364 3.216,365 2.248,366 3.157,368 6.737,369 2.172,370 3.447,371 2.577,372 5.214,373 3,374 2.027,375 2.783,377 6.269,378 1.972,379 3.307,380 2.235,381 4.774,382 2.83,383 1.855,384 2.65,386 5.04,387 1.798,388 3.282,389 1.969,390 4.068,391 2.426,392 1.434,393 2.147,395 3.413,396 1.418,397 2.91,398 1.827,399 3.73,400 2.236,401 1.234,402 1.85,404 2.866,405 1.233,406 2.73,407 1.744,408 3.587,409 2.154,410 1.158,411 1.75,413 2.746,414 1.148,415 2.592,416 1.216,417 3.54,418 2,419 1,420 1.584,422 2.323,423 1,424 2.562,425 1.186,426 3.435,427 1.911,428 0.927,429 1.333,431 2.204,432 0.91,433 2.234,434 1,435 2.814,436 1.22,437 0.269,438 0.527,440 0.433,441 0.255,442 1.182,443 0.962,444 2.671,445 0.795,446 -0.198,447 -0.255,449 -0.515,450 -0.195,451 1,452 0.458,453 2.334,454 0.415,455 -0.558,456 -0.712,458 -1.298,459 -0.533,460 0.874,461 -0.095,462 2,463 0.392,464 -0.586,465 -0.837,467 -1.373,468 -0.575,469 12.1,470 0.465,471 0.682,472 0.026,473 40,474 1.538,475 23.5,476 0.904,477 16.5,478 0.635,479 15.413,480 0.593,481 26.3,482 0.658,483 31.106,484 1.196,485 8.116,486 0.312,487 4.375,488 0.168,489 0.157,491 0.355,496 0.443,497 1.083,498 0.636,499 0.888,500 0.479,501 0.824,502 0.538,503 1.022,504 0.735,505 0.913,506 0.404,507 0.871,508 0.773,509 1.204,510 0.936,511 1.166,512 0.611,513 1.101,514 0.979,515 0.939,516 1.051,517 1.032,518 0.911,519 1.055,520 0.961,521 1.04,522 1.001,523 1.053,524 1.023,525 1.044,526 1.022,527 0.889,528 0.887,529 0.872,530 1.284,531 0.866,532 0.939,533 1.202,534 0.908,535 1.024,536 1.101,537 0.961,538 1.495,539 0.95,540 1.311,541 0.912,542 1.631,543 1.008,544 5.5,545 0.127,546 3.111,547 2.389,548 1.204,549 0.889,550 0.698,551 0.331,552 0.284,553 0.124,554 7705,555 26272,556 2.014,557 35,559 12,560 1,562 1,567 1.691,568 1.857,569 3.348,570 -0.294,571 1,572 1,575 66.109,576 1.653,577 3.673,578 4.384,579 4.984,580 5.153,581 5.153,582 2.749,583 4.364,584 4.676,585 3.513,586 1141.85,587 8.103,588 14375.1,589 1,590 1,592 1,593 212.877,594 1.502,595 4.615,596 0.196,597 0.007,598 0.08,599 0.06,600 0.033,601 0.027,602 0.022,603 0.011,604 0.012,605 0.006,606 0.454,607 0.33,608 1,609 0.923,610 127.369,611 0.161,612 0.009,613 0.041,614 0.043,616 0.013,617 0.146,618 0.021,619 0.038,620 0.042,621 0.164,622 0.025,623 -0.062,624 -0.207,625 -0.08,626 -0.194,627 0.022,628 -0.15,629 -0.043,630 0.028,631 -0.064,632 -0.051,633 0.008,634 -0.062,635 -0.01,636 -0.081,637 -0.02,638 -0.07,639 -0.064,640 -0.053,641 0.042,642 0.067,643 0.149,644 0.112,645 -0.134,646 0.135,647 0.142,648 -0.196,649 0.055,650 -0.081,651 0.161,652 -0.036,653 -0.354,654 0.124,655 -0.348,656 -0.013,657 -0.305,658 -0.129,659 2.549,660 5.394,661 0.577,662 21,663 1.02,664 1.117,665 2.503,666 6.265,667 0.705,668 3.367,669 3.689,670 3.951,671 4.19,672 4.357,673 4.357,674 4.466,675 4.443,676 4.344,677 4.331,678 6.273,679 0.697,680 346.37,681 3.367,682 4.905,683 5.753,684 6.629,685 7.496,686 8.377,687 9.251,688 10.133,689 11.011,690 11.895,691 10,698 1,699 1,700 1,702 1,708 2,709 9,714 3,715 1,716 16,731 1,738 40,739 21,740 2,741 28,743 42,744 19,745 14,746 4,747 8,748 3,752 3,753 4,767 1,768 17,769 1,772 4,775 1,778 3,780 1,782 2,785 1,786 1,789 14,790 5,791 1,792 7,797 4,803 0.667,804 3,818 1,822 1,823 2,826 1,833 1,838 1,845 1,846 1,855 2,859 1,862 26,871 1,877 1,882 1,884 1,886 7.5,889 1,892 2,893 14,894 7.683,895 5.806,896 2.206,898 3.781,899 1.536,900 0.982,901 4.836,902 10.828,903 3.761,904 4.379,905 4.991,906 5.575,907 6.086,908 6.381,909 6.823,910 7.11,911 7.174,912 7.446,913 0.857,914 40,915 9.556,917 4.1,918 8.179,919 17.422,921 13.88,924 2.679,925 69.667,928 1,929 153.024,930 140.638,931 56.639,933 75.892,936 140.638,937 228.916,938 56.639,939 14.066,940 18.011,941 94.334,942 46.451,943 47.416,944 13.915,945 141.253,946 50.747,947 153.024,948 197.277,949 75.892,952 153.024,953 25.145,954 50.747,956 50.969,957 131.162,958 15.146,960 153.024,961 132.531,962 140.638,965 153.024,966 21.306,967 110.299,968 34.612,969 106.951,970 153.024,971 132.531,972 140.638,973 0.581,974 0.346,975 0.185,976 0.098,977 18,978 9,979 0.095,980 4,981 1,982 1.133,983 3.724,984 213.305,985 0.133,986 15,987 116.211,993 17.409,994 7.223,995 3.665,996 1.904,997 124.962,998 15.049,1003 0.858,1004 1.911,1005 18.011,1006 426.194,1007 42,1010 -0.549,1013 34.041,1015 1.509,1017 -0.714,1020 40.807,1021 44.697,1022 0.311,1023 0.69,1024 0.824,1025 0.937,1026 0.968,1027 0.968,1028 4.99,1029 1.234,1030 5.746,1031 3.413,1032 4.369,1033 5.066,1034 3.123,1035 6.561,1036 4.329,1037 6.236,1038 1.158,1039 7.314,1040 2.866,1041 4.007,1042 4.966,1043 2.361,1044 7.479,1045 3.941,1046 7.563,1047 1,1048 8.981,1049 2.746,1050 5.969,1051 7.347,1052 4.61,1053 10.568,1054 5.884,1055 8.925,1056 0.927,1057 10.706,1058 2.323,1059 6.415,1060 8.089,1061 4.506,1062 12.314,1063 6.305,1064 10.317,1065 0.269,1066 12.467,1067 2.204,1068 7.865,1069 9.939,1070 6.268,1071 14.921,1072 7.739,1073 11.732,1074 -0.198,1075 14.252,1076 0.433,1077 8.679,1078 11.08,1079 6.556,1080 17.021,1081 8.528,1082 13.165,1083 -0.558,1084 16.056,1085 -0.515,1086 9.928,1087 12.719,1088 8.012,1089 19.466,1090 9.76,1091 3.186,1092 -0.586,1093 17.873,1094 -1.298,1095 10.912,1096 14.053,1097 8.548,1098 21.724,1099 10.719,1100 2.867,1101 10.941,1102 19.702,1103 -1.373,1104 12.082,1105 15.609,1106 9.813,1107 24.118,1108 11.87,1109 2.714,1110 8.789,1111 21.54,1112 4.608,1113 13.145,1114 17.036,1115 10.509,1116 26.444,1117 12.909,1118 2.248,1119 8.347,1120 23.385,1121 3.981,1122 14.287,1123 18.561,1124 11.655,1125 28.826,1126 14.031,1127 2.027,1128 6.737,1129 25.237,1130 3.587,1131 15.388,1132 20.033,1133 12.452,1134 31.185,1135 15.107,1136 1.855,1137 6.269,1138 27.095,1139 3.157,1140 16.523,1141 21.549,1142 13.525,1143 33.566,1144 16.22,1145 1.434,1146 5.04,1147 28.958,1148 2.783,1149 17.643,1150 23.044,1151 14.386,1152 35.94,1153 17.316,1154 7564,1155 14130,1156 18.205,1157 28.193,1158 43.805,1159 46.733,1160 43.867,1161 41.839,1162 41.84,1163 59.912,1164 11.411,1165 120.215,1166 41.013,1167 5.472,1168 6.099,1169 6.403,1170 5.186,1171 5.186,1172 7.608,1173 4.647,1174 17.936,1175 5.114,1176 14.568,1177 1.564,1178 1.669,1179 1.567,1180 1.494,1181 1.494,1182 2.14,1183 0.408,1184 4.293,1185 1.465,1186 4.145,1187 4.177,1188 4.109,1189 4.063,1190 7.815,1191 4.07,1192 3.987,1193 4.015,1194 3.951,1195 3.855,1196 7.43,1197 3.867,1198 3.685,1199 3.707,1200 3.661,1201 3.558,1202 6.999,1203 3.572,1204 3.485,1205 3.524,1206 3.446,1207 3.281,1208 6.818,1209 3.29,1210 3.432,1211 3.485,1212 3.327,1213 3.055,1214 4.936,1215 3.149,1216 3.124,1217 3.183,1218 3.042,1219 2.931,1220 4.712,1221 2.936,1222 3.033,1223 3.1,1224 2.941,1225 2.829,1226 4.326,1227 2.853,1228 2.796,1229 2.881,1230 2.663,1231 2.639,1232 4.076,1233 2.614,1234 0.166,1235 0.146,1236 0.24,1237 0.149,1238 0.114,1239 4.642,1240 0.165,1241 4.099,1242 0.093,1243 6.725,1244 0.391,1245 4.162,1246 0.111,1247 3.186,1248 4.608,1249 2.612,1250 10.941,1251 3.114,1252 1.948,1253 1.926,1254 2.038,1255 2.088,1256 1.172,1257 2.052,1258 1.914,1259 1.886,1260 2.008,1261 2.026,1262 1.082,1263 2.029,1264 1.709,1265 1.677,1266 1.82,1267 1.868,1268 0.914,1269 1.851,1270 1.453,1271 1.399,1272 1.63,1273 1.717,1274 0.654,1275 1.668,1276 1.211,1277 1.176,1278 1.339,1279 1.605,1280 0.358,1281 1.541,1282 1.104,1283 1.055,1284 1.269,1285 1.317,1286 0.215,1287 1.32,1288 0.965,1289 0.906,1290 1.173,1291 1.195,1292 0.212,1293 1.184,1294 0.809,1295 0.738,1296 1.07,1297 0.999,1298 0.158,1299 1.03,1300 4.043,1302 5.361,1303 2.398,1304 6.87,1305 4.844,1306 8.462,1307 7.018,1308 10.099,1310 1.884,1317 2.522,1324 9.363,1325 1.888,1326 27.864,1327 66.109,1328 146.903,1329 175.367,1330 199.367,1331 206.122,1332 206.122,1333 56.615,1334 7.048,1335 103.64,1336 103.64,1337 17,1338 12.429,1339 4.459,1340 3.907,1341 44.342,1342 97,1343 88,1344 0.22,1345 174.882,1346 306.17,1347 418.472,1348 10467,1350 18.681,1351 0.719,1352 0.532,1353 18.681,1354 13.84,1355 12.49,1356 0.446,1357 0.275,1358 7.597,1359 11.964,1360 7.41,1361 6.191,1362 12.49,1363 7.71,1364 11.239,1365 0.288,1366 0.145,1367 11.239,1368 5.644,1369 9.292,1370 0.182,1371 0.077,1372 9.292,1373 3.908,1374 7.639,1375 0.118,1376 0.041,1377 7.639,1378 2.688,1379 5.914,1380 0.077,1381 0.023,1382 5.914,1383 1.734,1384 0.345,1385 78.84,1386 0.234,1387 25.072,1388 0.604,1389 134,1390 466.475,1391 147.22,1392 456.164,1393 603.08,1394 418,1395 157,1396 438.48,1397 170.308,1398 443.281,1399 634.41,1400 413,1401 5.383}
{0 CHEMBL1377878,1 1.778,2 11.077,3 5.542,4 30.714,5 109.607,6 10.316,7 0.724,8 3.804,9 3.903,10 3.695,11 3.488,12 4.996,13 3.446,14 4.262,15 4.388,16 4.133,17 3.856,18 5.43,19 3.803,20 4.421,21 4.578,22 4.206,23 3.909,24 5.608,25 3.831,26 4.403,27 4.577,28 4.09,29 3.817,30 5.591,31 3.722,32 4.273,33 4.442,34 4.035,35 3.707,36 5.488,37 3.608,38 4.171,39 4.342,40 3.763,41 3.626,42 5.303,43 3.521,44 4.194,45 4.387,46 3.864,47 3.582,48 5.325,49 3.445,50 4.043,51 4.251,52 3.551,53 3.434,54 5.066,55 3.324,56 0.098,57 0.603,58 3.462,59 2.824,60 5.56,61 3.14,62 0.189,63 0.95,64 8.763,65 4.914,66 11.361,67 5.323,68 0.325,69 1.064,70 16.935,71 6.611,72 23.096,73 6.673,74 0.395,75 1.021,76 19.664,77 6.619,78 27.923,79 6.515,80 0.434,81 0.857,82 25.084,83 6.085,84 33.314,85 5.866,86 0.243,87 0.793,88 12.935,89 4.899,90 19.726,91 5.041,92 0.364,93 0.801,94 23.703,95 6.214,96 29.7,97 6.763,98 0.218,99 0.722,100 15.21,101 5.432,102 17.356,103 5.759,104 10,105 41,106 0.31,107 0.656,108 0.756,109 0.864,110 0.899,111 0.899,112 3.304,113 0.967,114 -5.57,115 -5.44,116 -5.08,120 46.2,121 1,143 8,144 1,145 2,147 2,153 1,154 1,156 1,163 1,167 1,170 1,174 6,177 8,180 1,182 1,185 8,188 1,189 9,194 1,197 6,200 2,201 7,206 2,209 5,214 4,217 2,219 4,222 8,227 3,235 5,239 2,240 7,245 1,247 5,252 1,257 3,260 2,264 5,269 1,271 5,274 1006,275 17.706,276 17.706,277 17.706,278 17.706,279 17.706,280 14.919,281 13.711,282 10.421,283 18.327,284 14.311,285 14.311,286 14.311,287 14.311,288 14.311,289 10.232,290 12.384,291 4.935,292 15.492,293 3.507,294 1.52,295 0.942,296 0.327,297 0.122,298 0.122,299 4.001,303 1,304 1,306 1,307 1,308 636,309 2.739,312 130.01,313 165.505,316 114.046,320 1.698,321 18.391,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 55.167,333 288,334 4.605,335 3.503,336 6.832,337 4.165,338 3.236,339 4.402,341 11.233,342 2.991,343 4.458,344 3.072,345 6.243,346 3.893,347 2.982,348 4.353,350 9.472,351 2.722,352 4.109,353 3.009,354 6.192,355 3.669,356 2.727,357 3.71,359 8.956,360 2.549,361 3.526,362 2.412,363 5.233,364 3.074,365 2.165,366 2.871,368 6.248,369 1.947,370 3.314,371 2.286,372 5.131,373 2.855,374 1.94,375 2.587,377 5.814,378 1.754,379 3.05,380 2.086,381 4.673,382 2.568,383 1.653,384 2.298,386 4.59,387 1.489,388 3.032,389 1.791,390 4.414,391 2.463,392 1.532,393 2.202,395 4.312,396 1.41,397 2.882,398 1.551,399 4.024,400 2.39,401 1.421,402 2.042,404 3.267,405 1.354,406 2.858,407 1.532,408 3.63,409 2.351,410 1.414,411 2.011,413 3.01,414 1.259,415 2.746,416 1.385,417 3.597,418 2.182,419 1.247,420 1.79,422 2.894,423 1.13,424 2.425,425 0.996,426 3.483,427 1.886,428 0.924,429 1.334,431 2.275,432 0.878,433 1.847,434 0.693,435 3,436 1.242,437 0.347,438 0.521,440 0.86,441 0.305,442 1.376,443 0.347,444 2.917,445 1.101,446 0.233,447 0.256,449 0.558,450 0.177,451 1.114,452 0.318,453 2.576,454 0.638,455 -0.206,456 -0.257,458 -0.468,459 -0.144,460 0.883,461 0.011,462 2.29,463 0.417,464 -0.459,465 -0.593,467 -1.103,468 -0.349,469 13.262,470 0.51,471 0.627,472 0.024,473 36.75,474 1.413,475 20,476 0.769,477 16.75,478 0.644,479 20.553,480 0.79,481 25.738,482 0.66,483 23.981,484 0.922,485 7.228,486 0.278,487 5.403,488 0.208,489 0.145,491 0.332,496 0.617,497 0.976,498 0.539,499 0.705,500 0.657,501 0.711,502 0.688,503 1.247,504 0.618,505 0.902,506 0.714,507 0.812,508 1.029,509 1.187,510 0.965,511 1.017,512 0.938,513 0.917,514 1.295,515 1.09,516 1.204,517 1.063,518 1.095,519 1.039,520 1.484,521 0.871,522 1.384,523 1.02,524 1.451,525 0.987,526 1.398,527 1.033,528 1.118,529 0.942,530 1.3,531 1.079,532 0.927,533 0.987,534 1.123,535 1.17,536 1.154,537 1.112,538 0.841,539 1.041,540 0.88,541 1.026,542 0.84,543 0.917,544 4.5,545 0.117,546 3.111,547 2.681,548 1.299,549 0.799,550 0.372,551 0.244,552 0.262,553 0.17,554 8877,555 28588,556 2.124,557 33.3,559 8,561 1,562 1,563 3,567 1.686,568 2,569 3.422,570 -0.256,575 69.357,576 1.778,577 3.765,578 4.343,579 4.958,580 5.163,581 5.163,582 2.874,583 4.316,584 4.675,585 3.616,586 1175.27,587 8.075,588 14979,593 206.131,594 1.37,595 4.637,596 0.155,597 0.006,598 0.076,599 0.067,600 0.038,601 0.027,602 0.014,603 0.01,604 0.012,605 0.008,606 0.413,607 0.17,608 0.88,609 0.54,610 128.52,611 0.069,612 0.082,613 0.016,614 0.048,615 -0.084,616 0.022,617 0.103,618 -0.197,619 0.091,620 -0.048,621 -0.003,622 0.001,623 0.011,624 -0.141,625 -0.002,626 -0.061,627 0.046,628 -0.022,629 -0.088,630 -0.045,631 -0.13,632 -0.103,633 0.041,634 -0.122,635 -0.112,636 0.139,637 -0.131,638 -0.039,639 -0.098,640 -0.053,641 -0.341,642 -0.036,643 -0.183,644 -0.054,645 -0.263,646 -0.169,647 0.175,648 -0.025,649 0.037,650 -0.096,651 0.001,652 -0.068,653 0.013,654 -0.034,655 0.03,656 0.034,657 0.006,658 0.127,659 1.217,660 2.381,661 0.769,662 22.899,663 1.017,664 1.112,665 4.338,666 18.814,667 0.774,668 3.401,669 3.738,670 4.043,671 4.317,672 4.454,673 4.443,674 4.522,675 4.564,676 4.564,677 4.663,678 6.66,679 0.733,680 402.33,681 3.401,682 4.949,683 5.814,684 6.701,685 7.581,686 8.472,687 9.358,688 10.25,689 11.139,690 12.031,691 12.8,696 1,699 1,700 1,701 2,708 2,709 8,710 2,713 1,714 6,715 1,716 21,737 2,738 39,739 22,740 2,741 29,743 42,744 18,745 16,746 4,747 8,748 1,752 4,753 5,754 2,755 1,759 1,768 17,769 1,772 1,780 1,781 1,789 13,790 4,791 1,792 8,793 3,797 5,803 0.75,814 1,822 2,823 2,826 1,855 3,857 1,859 1,860 2,862 26,871 1,879 1,885 2,893 13,894 7.502,895 5.667,896 2.207,898 4.545,899 1.609,900 1.031,901 4.938,902 12.004,903 3.726,904 4.394,905 5.043,906 5.681,907 6.125,908 6.388,909 6.792,910 7.148,911 7.32,912 7.713,913 1,914 40,915 9.511,917 4.034,918 7.688,919 18.064,921 14.703,924 2.188,925 56.889,929 141.253,930 143.622,931 69.776,932 78.297,935 31.278,936 112.345,937 219.551,938 69.776,939 8.825,941 75.81,942 72.155,943 36.356,944 39.894,945 160.76,946 39.149,947 141.253,948 182.121,950 109.575,952 141.253,956 35.738,957 85.999,958 99.533,959 70.426,960 141.253,961 69.776,962 221.92,965 141.253,966 49.94,967 95.459,968 17.888,969 128.409,970 141.253,971 69.776,972 221.92,973 0.584,974 0.354,975 0.197,976 0.101,977 21,978 9,979 0.095,980 4,981 1,982 1.1,983 3.892,984 218.823,985 0.1,986 20,987 122.211,989 1,993 17.465,994 7.35,995 3.504,996 2.043,997 68,998 15.345,999 8.945,1002 1.538,1003 3.944,1004 1.609,1005 17.888,1006 432.949,1007 40.5,1015 1.643,1016 4.26,1020 39.651,1021 43.376,1022 0.336,1023 0.712,1024 0.822,1025 0.938,1026 0.977,1027 0.977,1028 4.951,1029 1.421,1030 5.802,1031 4.312,1032 4.419,1033 5.081,1035 6.635,1036 4.258,1037 6.186,1038 1.414,1039 7.375,1040 3.267,1041 4.007,1042 4.913,1044 7.57,1045 3.694,1046 7.508,1047 1.247,1048 9.051,1049 3.01,1050 6.028,1051 7.369,1053 10.705,1054 5.721,1055 8.871,1056 0.924,1057 10.788,1058 2.894,1059 6.479,1060 8.078,1062 12.503,1063 6.017,1064 10.269,1065 0.347,1066 12.565,1067 2.275,1068 7.957,1069 9.967,1071 15.143,1072 7.493,1073 11.692,1074 0.233,1075 14.37,1076 0.86,1077 8.798,1078 11.088,1080 17.283,1081 8.196,1082 13.135,1083 -0.206,1084 16.195,1085 0.558,1086 10.066,1087 12.737,1089 19.759,1090 9.437,1091 3.236,1092 -0.459,1093 18.034,1094 -0.468,1095 11.08,1096 14.049,1098 22.042,1099 10.332,1100 2.982,1101 11.233,1102 19.885,1103 -1.103,1104 12.268,1105 15.596,1107 24.463,1108 11.471,1109 2.727,1110 9.472,1111 21.745,1112 4.402,1113 13.357,1114 16.995,1116 26.809,1117 12.457,1118 2.165,1119 8.956,1120 23.612,1121 4.353,1122 14.517,1123 18.499,1125 29.214,1126 13.555,1127 1.94,1128 6.248,1129 25.486,1130 3.71,1131 15.64,1132 19.937,1134 31.59,1135 14.585,1136 1.653,1137 5.814,1138 27.364,1139 2.871,1140 16.792,1141 21.423,1143 33.994,1144 15.666,1145 1.532,1146 4.59,1147 29.246,1148 2.587,1149 17.931,1150 22.88,1152 36.386,1153 16.719,1154 8289,1155 15054,1156 19.592,1157 30.199,1158 44.184,1159 44.652,1160 45.222,1161 43.917,1162 43.645,1163 60.75,1165 126.978,1166 39.928,1167 5.329,1168 5.503,1169 6.517,1170 5.279,1171 5.236,1172 7.402,1174 18.707,1175 4.991,1176 11.009,1177 1.524,1178 1.54,1179 1.559,1180 1.514,1181 1.505,1182 2.095,1184 4.379,1185 1.377,1186 4.067,1187 4.098,1188 4.317,1189 4.039,1190 5.115,1191 3.996,1192 4.014,1193 4.041,1194 4.142,1195 3.915,1196 4.988,1197 3.922,1198 3.769,1199 3.801,1200 3.892,1201 3.687,1202 4.866,1203 3.688,1204 3.423,1205 3.494,1206 3.486,1207 3.308,1208 4.621,1209 3.266,1210 3.133,1211 3.204,1212 3.295,1213 2.933,1214 4.381,1215 2.941,1216 3.096,1217 3.179,1218 3.292,1219 2.909,1220 4.328,1221 2.9,1222 2.884,1223 2.939,1224 3.13,1225 2.797,1226 4.229,1227 2.769,1228 2.879,1229 2.922,1230 2.854,1231 2.789,1232 3.747,1233 2.768,1234 0.159,1235 0.121,1236 0.236,1237 0.144,1238 0.112,1239 4.605,1240 0.152,1241 3.503,1243 6.832,1244 0.387,1245 4.165,1246 0.103,1247 3.236,1248 4.402,1250 11.233,1251 2.991,1252 1.898,1253 1.88,1254 1.98,1255 1.99,1256 1.1,1257 1.991,1258 1.893,1259 1.868,1260 1.974,1261 1.964,1262 1.079,1263 1.979,1264 1.642,1265 1.607,1266 1.778,1267 1.795,1268 0.895,1269 1.79,1270 1.359,1271 1.314,1272 1.496,1273 1.607,1274 0.543,1275 1.597,1276 1.283,1277 1.233,1278 1.286,1279 1.482,1280 0.443,1281 1.462,1282 0.995,1283 0.923,1284 1.192,1285 1.225,1286 0.248,1287 1.237,1288 0.917,1289 0.882,1290 1.092,1291 1.02,1292 0.183,1293 1.062,1294 0.868,1295 0.824,1296 1.045,1297 1.005,1298 0.16,1299 1.051,1300 4.078,1302 5.407,1303 3.045,1304 6.927,1305 5.476,1306 8.531,1307 7.609,1308 10.18,1310 1.873,1311 12.735,1317 2.953,1326 28.583,1327 69.357,1328 146.846,1329 169.376,1330 193.376,1331 201.376,1332 201.376,1333 34.196,1334 7.459,1335 55.1,1336 83.34,1337 22,1338 12.559,1339 4.524,1340 3.644,1341 38.265,1342 104,1343 88,1344 0.177,1345 186.353,1346 304.45,1347 446.462,1348 18721,1349 5.1,1350 18.096,1351 0.696,1352 0.615,1353 19.449,1354 15.978,1355 12.631,1356 0.436,1357 0.322,1358 7.829,1359 11.289,1360 7.492,1361 6.212,1362 13.617,1363 9.352,1364 11.398,1365 0.278,1366 0.178,1367 12.771,1368 7.306,1369 9.942,1370 0.178,1371 0.096,1372 11.501,1373 5.401,1374 8.483,1375 0.115,1376 0.052,1377 10.066,1378 3.859,1379 6.475,1380 0.076,1381 0.028,1382 7.799,1383 2.405,1384 0.282,1385 88.528,1386 0.226,1387 25.38,1388 0.473,1389 140,1390 416.18,1391 208.443,1392 493.01,1393 668.12,1394 460,1395 167,1396 450.255,1397 226.838,1398 490.864,1399 722.58,1400 462,1401 6.796}
{0 CHEMBL1378232,1 1.442,2 10.273,3 2.791,4 7.79,5 84.725,6 7.253,7 0.5,8 3.807,9 3.91,10 3.354,11 3.354,12 4.876,13 3.333,14 4.343,15 4.494,16 3.653,17 3.708,18 5.396,19 3.663,20 4.623,21 4.822,22 3.751,23 3.83,24 5.644,25 3.767,26 4.569,27 4.781,28 3.488,29 3.708,30 5.575,31 3.608,32 4.43,33 4.661,34 3.363,35 3.585,36 5.453,37 3.466,38 4.33,39 4.585,40 3.261,41 3.445,42 5.331,43 3.324,44 4.169,45 4.383,46 3.223,47 3.302,48 5.284,49 3.246,50 4.063,51 4.247,52 3.055,53 3.273,54 5.168,55 3.196,56 0.012,57 0.539,58 8.553,59 4.022,60 4.954,61 5.037,62 0.169,63 0.868,64 16.208,65 6.605,66 19.228,67 8.397,68 0.332,69 1.086,70 23.125,71 8.554,72 35.649,73 11.172,74 0.288,75 1.025,76 22.268,77 7.932,78 39.824,79 10.429,80 0.326,81 0.914,82 19.322,83 7.022,84 39.284,85 9.734,86 0.28,87 0.811,88 17.826,89 6.479,90 32.673,91 9.174,92 0.215,93 0.674,94 15.124,95 5.071,96 32.565,97 6.598,98 0.25,99 0.608,100 13.329,101 4.622,102 35.248,103 5.736,104 2,105 31,106 0.256,107 0.572,108 0.73,109 0.825,110 0.846,111 0.854,112 3.146,113 0.943,114 -3.82,115 -3.78,116 -3.6,120 43.9,122 2,126 3,143 8,144 2,145 2,159 1,174 10,177 5,180 1,182 2,185 10,188 1,189 6,194 3,197 6,201 4,206 3,209 4,213 1,214 1,217 1,219 2,222 5,226 1,227 2,230 1,232 1,235 5,240 4,245 1,247 7,252 3,260 7,264 3,271 5,274 648,275 15.259,276 15.259,277 15.259,278 15.259,279 15.259,280 13.692,281 17.134,282 9.44,283 15.559,284 11.882,285 11.882,286 11.882,287 11.882,288 11.882,289 9.468,290 17.612,291 4.524,292 12.336,293 3.915,294 2.127,295 1.238,296 0.701,297 0.585,298 0.537,299 3.835,305 1,306 1,307 1,308 490,309 2.828,313 126.77,314 68.789,318 104.306,320 1.636,321 19.839,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47.5,333 226,334 4.33,335 3.567,336 6.248,337 3.94,338 2.97,339 3.973,340 1.058,341 9.412,342 2.892,343 3.911,344 3.197,345 5.895,346 3.568,347 2.596,348 3.445,349 0.86,350 8.138,351 2.526,352 3.874,353 2.719,354 5.339,355 3.5,356 2.504,357 3.234,358 0.86,359 6.964,360 2.461,361 2.977,362 2.293,363 4.472,364 2.657,365 1.696,366 2.127,368 4.519,369 1.624,370 2.948,371 2.053,372 4.202,373 2.59,374 1.683,375 2.083,377 3.938,378 1.542,379 2.882,380 1.74,381 3.721,382 2.538,383 1.57,384 1.963,386 3.3,387 1.489,388 2.615,389 1.69,390 3.645,391 2.384,392 1.397,393 1.618,395 3.122,396 1.372,397 2.5,398 1.365,399 3.281,400 2,401 1,402 1.5,404 2.136,405 1,406 2.177,407 1.136,408 3.247,409 1.914,410 0.936,411 1.106,413 2.06,414 0.907,415 2.053,416 1,417 3.178,418 1.748,419 0.799,420 0.959,422 1.816,423 0.749,424 1.131,425 0.394,426 2.593,427 0.887,428 -0.068,429 -0.076,431 -0.161,432 -0.064,433 1.078,434 0.258,435 2.382,436 0.75,437 -0.189,438 -0.213,440 -0.433,441 -0.174,442 0.952,443 0.165,444 2.264,445 0.683,446 -0.256,447 -0.306,449 -0.596,450 -0.242,451 0.576,452 -0.331,453 2.11,454 0.192,455 -0.813,456 -1.015,458 -1.741,459 -0.8,460 0.512,461 -0.659,462 1.733,463 0.121,464 -0.863,465 -1.182,467 -2.347,468 -0.856,469 10.4,470 0.473,471 0.346,472 0.016,473 28.25,474 1.284,475 14.5,476 0.659,477 13.75,478 0.625,479 15.349,480 0.698,481 23.8,482 0.58,483 18.732,484 0.851,485 5.711,486 0.26,487 5.116,488 0.233,489 0.032,491 0.24,496 0.786,497 1.189,498 0.796,499 1.101,500 0.599,501 0.969,502 1.069,503 1.107,504 0.994,505 1.084,506 0.703,507 1.035,508 1.132,509 1.014,510 0.946,511 0.976,512 0.905,513 0.937,514 1.354,515 1.126,516 1.197,517 1.074,518 1.491,519 1.104,520 0.757,521 1.079,522 1.027,523 1.053,524 1.198,525 1.077,526 0.548,527 0.977,528 0.812,529 0.964,530 0.76,531 0.935,532 1.523,533 0.896,534 1.016,535 0.837,536 2.137,537 0.834,538 1.826,539 0.811,540 1.378,541 0.873,542 2.366,543 1.015,544 3,545 0.046,546 2,547 0.875,548 0.734,549 0.51,550 0.31,551 0.16,552 0.076,553 0.087,554 5615,555 13898,556 2.125,557 46.3,559 14,562 1,564 2,565 2,567 1.639,568 2.063,569 3.349,570 -0.354,571 1,572 1,574 1,575 59.135,576 1.442,577 3.23,578 4.12,579 4.656,580 4.772,581 4.821,582 2.777,583 4.187,584 4.432,585 3.502,586 808.919,587 7.58,588 9210.1,589 1,590 1,592 1,593 219.66,594 1.023,595 4.423,596 0.125,597 0.004,598 0.065,599 0.027,600 0.031,601 0.024,602 0.016,603 0.008,604 0.005,605 0.006,606 0.31,607 0.67,608 1,609 0.405,610 103.088,611 -0.024,612 -0.063,613 0.054,614 -0.041,615 -0.024,616 0.012,617 -0.037,618 -0.049,619 -0.066,620 -0.079,621 0.013,622 -0.078,623 0.018,624 -0.029,625 0.042,626 -0.003,627 0.019,628 0.02,629 -0.189,630 -0.147,631 -0.2,632 -0.12,633 -0.182,634 -0.157,635 0.136,636 -0.081,637 -0.055,638 -0.095,639 0.017,640 -0.107,641 0.263,642 -0.014,643 0.171,644 -0.005,645 0.225,646 0.055,647 -0.185,648 0.09,649 0.016,650 0.1,651 -0.173,652 0.096,653 -0.386,654 0.197,655 -0.364,656 0.079,657 -0.401,658 -0.099,659 1.758,660 5.199,661 0.773,662 18.81,663 1.001,664 1.119,665 2.594,666 6.731,667 0.664,668 3.219,669 3.466,670 3.689,671 3.871,672 4.078,673 4.111,674 4.094,675 4.094,676 4.143,677 4.205,678 6.151,679 0.632,680 297.38,681 3.219,682 4.71,683 5.525,684 6.358,685 7.189,686 8.028,687 8.866,688 9.709,689 10.551,690 11.397,691 2.4,698 1,709 8,714 4,716 12,723 1,735 2,738 41,739 13,740 2,741 24,743 43,744 18,745 12,746 4,747 8,748 1,752 3,753 4,763 1,766 2,768 13,769 5,772 1,778 1,782 1,785 1,786 1,789 19,790 4,791 1,792 4,797 1,803 0.667,804 3,823 2,824 1,828 1,855 2,862 22,869 5,871 1,872 2,886 7.3,889 1,891 2,893 10.667,894 7.167,895 4.972,896 2.535,898 2.093,899 1.309,900 0.975,901 4.963,902 8.872,903 3.466,904 3.97,905 4.477,906 4.942,907 5.431,908 5.463,909 5.612,910 5.61,911 5.767,912 5.998,913 0.857,914 33,915 8.151,917 3.395,918 7.697,919 15.692,921 12.619,924 2.197,925 48.333,929 211.88,930 113.732,931 18.011,933 47.145,936 113.732,937 259.025,938 18.011,940 34.37,941 75.81,942 29.85,943 38.858,945 211.88,947 211.88,948 131.743,949 47.145,952 164.795,953 94.229,956 34.37,957 97.373,960 211.88,961 65.155,962 113.732,965 211.88,966 37.922,967 75.81,968 18.011,969 47.145,970 211.88,971 65.155,972 113.732,973 0.561,974 0.321,975 0.169,976 0.092,977 14,978 5,979 0.093,980 4,981 1,982 1.118,983 3.602,984 161.969,985 0.118,986 17,987 94.107,993 14.917,994 7.32,995 4.023,997 65.155,998 15.415,1003 3.158,1005 18.011,1006 390.767,1007 31,1013 12.199,1017 -0.091,1020 41.036,1021 45.863,1022 0.269,1023 0.603,1024 0.769,1025 0.869,1026 0.891,1027 0.9,1028 4.654,1029 1,1030 5.451,1031 3.122,1032 4.143,1033 4.654,1034 1.824,1035 6.163,1036 4.077,1037 5.801,1038 0.936,1039 6.942,1040 2.136,1041 3.434,1042 4.205,1044 6.862,1045 3.37,1046 7.062,1047 0.799,1048 8.537,1049 2.06,1050 5.631,1051 6.729,1052 1.74,1053 9.941,1054 5.51,1055 8.361,1056 -0.068,1057 10.197,1058 1.816,1059 5.802,1060 7.14,1062 11.521,1063 5.681,1064 9.695,1065 -0.189,1066 11.901,1067 -0.161,1068 7.388,1069 9.096,1070 1.692,1071 14.059,1072 7.224,1073 11.053,1074 -0.256,1075 13.633,1076 -0.433,1077 8.001,1078 9.917,1080 15.994,1081 7.824,1082 12.43,1083 -0.813,1084 15.386,1085 -0.596,1086 9.303,1087 11.609,1088 1.676,1089 18.337,1090 9.094,1091 2.97,1092 -0.863,1093 17.153,1094 -1.741,1095 10.141,1096 12.651,1098 20.427,1099 9.909,1100 2.596,1101 9.412,1102 18.93,1103 -2.347,1104 11.311,1105 14.202,1106 1.688,1107 22.696,1108 11.053,1109 2.504,1110 8.138,1111 20.715,1112 3.973,1113 12.263,1114 15.372,1116 24.857,1117 11.978,1118 1.696,1119 6.964,1120 22.506,1121 3.445,1122 13.374,1123 16.845,1124 1.723,1125 27.099,1126 13.063,1127 1.683,1128 4.519,1129 24.302,1130 3.234,1131 14.385,1132 18.093,1134 29.295,1135 14.045,1136 1.57,1137 3.938,1138 26.102,1139 2.127,1140 15.471,1141 19.522,1142 1.776,1143 31.528,1144 15.106,1145 1.397,1146 3.3,1147 27.905,1148 2.083,1149 16.513,1150 20.818,1152 33.743,1153 16.118,1154 5352,1155 8533,1156 16.583,1157 27.222,1158 34.703,1159 35.6,1160 34.809,1161 34.343,1162 34.303,1163 44.016,1164 5.557,1165 90.81,1166 33.124,1167 5.241,1168 5.567,1169 6.05,1170 5.001,1171 4.97,1172 6.973,1173 2.117,1174 15.779,1175 4.892,1176 5.541,1177 1.446,1178 1.483,1179 1.45,1180 1.431,1181 1.429,1182 1.834,1183 0.232,1184 3.784,1185 1.38,1186 3.979,1187 4,1188 3.928,1189 3.887,1190 7.429,1191 3.89,1192 3.904,1193 3.929,1194 3.831,1195 3.837,1196 4.915,1197 3.834,1198 3.613,1199 3.662,1200 3.505,1201 3.424,1202 4.751,1203 3.429,1204 3.467,1205 3.537,1206 3.317,1207 3.3,1208 4.323,1209 3.295,1210 3.149,1211 3.18,1212 3.045,1213 2.97,1214 4.3,1215 2.989,1216 3.029,1217 3.067,1218 2.899,1219 2.777,1220 4.092,1221 2.792,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.774,1229 2.832,1230 2.635,1231 2.613,1232 3.645,1233 2.608,1234 0.18,1235 0.149,1236 0.26,1237 0.164,1238 0.124,1239 4.33,1240 0.166,1241 3.567,1242 0.044,1243 6.248,1244 0.392,1245 3.94,1246 0.12,1247 2.97,1248 3.973,1249 1.058,1250 9.412,1251 2.892,1252 1.925,1253 1.896,1254 2.058,1255 2.025,1256 1.23,1257 2.034,1258 1.882,1259 1.867,1260 1.965,1261 1.977,1262 1.155,1263 1.976,1264 1.58,1265 1.524,1266 1.849,1267 1.801,1268 1.076,1269 1.818,1270 1.475,1271 1.411,1272 1.716,1273 1.704,1274 0.882,1275 1.706,1276 1.126,1277 1.108,1278 1.312,1279 1.377,1280 0.465,1281 1.355,1282 0.924,1283 0.87,1284 1.216,1285 1.192,1286 0.309,1287 1.202,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.804,1295 0.736,1296 1.1,1297 1.007,1298 0.182,1299 1.041,1300 3.892,1302 5.153,1304 6.605,1305 2.708,1306 8.145,1307 5.094,1308 9.731,1315 3.545,1317 2.935,1318 11.174,1326 25.907,1327 59.135,1328 132.44,1329 168.905,1330 190.905,1331 195.66,1332 197.66,1333 33.128,1334 6.779,1335 47.56,1336 47.56,1337 19,1338 11.959,1339 3.807,1340 3,1341 34.724,1342 81,1343 76,1344 0.207,1345 159.544,1346 279.97,1347 381.047,1348 8063,1350 15.2,1351 0.691,1352 0.563,1353 15.2,1354 12.379,1355 10.826,1356 0.451,1357 0.314,1358 7.444,1359 10.425,1360 7.32,1361 6.043,1362 10.826,1363 7.546,1364 9.144,1365 0.295,1366 0.168,1367 9.144,1368 5.203,1369 7.632,1370 0.196,1371 0.091,1372 7.632,1373 3.552,1374 6.043,1375 0.129,1376 0.05,1377 6.043,1378 2.372,1379 4.867,1380 0.084,1381 0.028,1382 4.867,1383 1.608,1384 0.33,1385 67.807,1386 0.246,1387 22.181,1388 0.547,1389 110,1390 333.539,1391 121.021,1392 313.283,1393 425.66,1394 296,1395 125,1396 305.236,1397 136.078,1398 305.256,1399 445.07,1400 289,1401 6.796}
{0 CHEMBL1378385,1 1.627,2 7.95,3 3.4,4 11.562,5 79.077,6 8.93,7 0.773,8 3.596,9 3.721,10 3.314,11 3.178,12 4.796,13 3.173,14 4.049,15 4.202,16 3.646,17 3.536,18 5.292,19 3.5,20 4.222,21 4.417,22 3.704,23 3.601,24 5.362,25 3.564,26 4.189,27 4.383,28 3.597,29 3.553,30 5.296,31 3.478,32 4.227,33 4.463,34 3.559,35 3.442,36 5.377,37 3.374,38 4.082,39 4.334,40 3.301,41 3.323,42 5.106,43 3.232,44 3.837,45 4.032,46 3.304,47 3.225,48 5.002,49 3.167,50 3.848,51 4.059,52 3.195,53 3.159,54 4.982,55 3.037,56 0.058,57 0.518,58 4.691,59 2.294,60 8.016,61 2.761,62 0.228,63 0.787,64 10.601,65 4.236,66 20.74,67 5.34,68 0.251,69 0.887,70 12.678,71 4.404,72 23.595,73 5.607,74 0.16,75 0.847,76 11.452,77 5.041,78 16.486,79 6.613,80 0.355,81 0.821,82 15.435,83 4.302,84 35.093,85 5.528,86 0.215,87 0.673,88 17.331,89 4.948,90 24.621,91 6.621,92 0.129,93 0.585,94 8.496,95 3.144,96 15.483,97 3.926,98 0.135,99 0.525,100 10.93,101 3.716,102 18.031,103 4.708,104 6,105 30,106 0.301,107 0.608,108 0.721,109 0.823,110 0.878,111 0.901,112 3.058,113 0.901,114 -5.07,115 -4.97,116 -4.65,120 43.8,126 1,143 7,144 2,145 1,150 1,151 2,164 1,165 1,166 1,174 9,176 3,179 2,180 4,182 2,185 11,189 2,194 3,197 9,201 4,203 1,204 2,205 1,206 3,208 1,209 5,214 7,219 3,222 2,224 1,227 8,232 2,237 2,240 5,245 3,247 2,249 3,252 3,257 3,260 3,262 3,264 1,269 1,271 3,273 1,274 450,275 13.748,276 13.748,277 13.748,278 13.748,279 13.748,280 11.713,281 17.088,282 8.213,283 14.106,284 10.842,285 10.842,286 10.842,287 10.842,288 10.842,289 7.784,290 30.718,291 3.85,292 11.505,293 3.373,294 1.713,295 1.099,296 0.547,297 0.25,298 0.125,299 3.742,300 1,305 1,306 1,307 1,308 342,309 2.236,313 149.614,317 78.172,320 1.065,321 14.541,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 42.833,333 159,334 4.502,335 3.127,336 6.515,337 4.035,338 3.05,339 4.433,340 1.03,341 10.244,342 3.01,343 4.174,344 2.959,345 5.744,346 3.688,347 2.775,348 3.824,349 0.4,350 8.165,351 2.521,352 3.556,353 2.502,354 5.259,355 3.15,356 2.203,357 2.94,359 6.536,360 2.089,361 3.302,362 2.235,363 4.893,364 2.879,365 1.973,366 2.558,368 5.528,369 1.771,370 3.21,371 1.893,372 4.71,373 2.741,374 1.807,375 2.474,377 5.139,378 1.677,379 3.118,380 1.618,381 4.136,382 2.618,383 1.618,384 2.427,386 3.76,387 1.618,388 2.767,389 1.414,390 3.592,391 2.268,392 1.269,393 1.9,395 2.826,396 1.268,397 2.346,398 1.271,399 3.339,400 1.879,401 0.895,402 1.278,404 2.1,405 0.879,406 1.584,407 0.938,408 2.897,409 1.103,410 0.438,411 0.486,413 0.642,414 0.239,415 1.377,416 0.166,417 2.809,418 0.989,419 0.043,420 0.056,422 0.116,423 0.041,424 0.966,425 -0.233,426 2.371,427 0.51,428 -0.397,429 -0.504,431 -0.998,432 -0.355,433 0.882,434 -0.356,435 2.243,436 0.384,437 -0.541,438 -0.732,440 -1.395,441 -0.486,442 0.836,443 -0.544,444 2,445 0.382,446 -0.618,447 -0.927,449 -1.478,450 -0.618,451 0.557,452 -0.618,453 2,454 0.056,455 -0.85,456 -1.085,458 -2.04,459 -0.738,460 0.292,461 -0.93,462 1.76,463 -0.156,464 -1.064,465 -1.403,467 -2.55,468 -0.995,469 9.714,470 0.486,471 0.414,472 0.021,473 30.5,474 1.525,475 17,476 0.85,477 13.5,478 0.675,479 11.688,480 0.584,481 20.286,482 0.634,483 19.31,484 0.965,485 5.978,486 0.299,487 3.781,488 0.189,489 0.115,491 0.309,496 0.92,497 1.24,498 0.579,499 0.809,500 1.035,501 0.755,502 0.55,503 0.805,504 0.895,505 1.003,506 0.604,507 0.964,508 0.931,509 1.06,510 0.711,511 0.887,512 0.84,513 0.894,514 0.616,515 1.238,516 0.737,517 1.173,518 0.592,519 1.168,520 1.155,521 0.955,522 0.914,523 0.913,524 1.085,525 0.984,526 1.054,527 0.924,528 1.04,529 0.894,530 0.939,531 0.825,532 1.161,533 1.11,534 0.857,535 0.894,536 1.158,537 0.952,538 1.207,539 1.165,540 1.262,541 1.206,542 1.302,543 1.241,544 4,545 0.012,546 1.556,547 1.5,548 0.969,549 0.389,550 0.264,551 0.247,552 0.127,553 0.057,554 3674,555 11652,556 2.107,557 37.5,559 9,562 3,567 1.62,568 2,569 3.009,570 1.152,572 1,574 1,575 52.068,576 1.627,577 3.287,578 3.901,579 4.453,580 4.75,581 4.875,582 2.366,583 3.922,584 4.299,585 3.102,586 589.471,587 7.352,588 5991.56,589 1,590 1,591 1,592 1,593 160,594 1.295,595 4.266,596 0.182,597 0.012,598 0.052,599 0.05,600 0.037,601 0.018,602 0.013,603 0.013,604 0.009,605 0.009,606 0.396,607 0.5,608 1,609 0.764,610 87.685,611 -0.162,612 -0.1,613 -0.002,614 0.038,615 -0.266,616 0.051,617 0.346,618 0.279,619 -0.099,620 -0.102,621 0.192,622 -0.102,623 -0.036,624 0.001,625 0.005,626 -0.005,627 -0.065,628 -0.009,629 0.156,630 -0.243,631 -0.006,632 -0.247,633 0.13,634 -0.231,635 -0.058,636 0.066,637 -0.02,638 -0.012,639 -0.055,640 -0.067,641 -0.082,642 -0.044,643 0.05,644 0.141,645 0.036,646 0.237,647 -0.233,648 -0.075,649 -0.043,650 0.016,651 -0.145,652 -0.049,653 -0.19,654 -0.245,655 -0.125,656 -0.192,657 -0.121,658 -0.246,659 1.515,660 1.64,661 0.8,662 12.15,663 1.011,664 1.128,665 3.841,666 14.754,667 0.717,668 3.135,669 3.434,670 3.689,671 3.97,672 4.174,673 4.159,674 4.22,675 4.304,676 4.369,677 4.277,678 4.873,679 0.689,680 285.76,681 3.135,682 4.654,683 5.493,684 6.365,685 7.219,686 8.096,687 8.955,688 9.833,689 10.694,690 11.574,691 15.6,695 1,699 1,701 3,707 1,708 2,709 7,710 3,714 4,716 17,728 1,729 1,738 32,739 17,740 2,741 22,743 34,744 14,745 13,746 3,747 7,750 1,752 3,753 4,754 1,759 1,768 13,769 1,785 1,786 1,789 12,790 5,791 3,792 6,793 1,797 5,803 0.667,823 3,827 1,855 2,860 1,862 20,863 1,869 1,871 1,885 1,893 10,894 5.66,895 4.472,896 1.719,898 3.427,899 1.51,900 1.025,901 3.566,902 10.152,903 3.45,904 4.094,905 4.712,906 5.338,907 5.898,908 6.114,909 6.466,910 6.886,911 7.299,912 7.381,913 1,914 30,915 7.297,917 3.042,918 7.756,919 13.772,921 10.976,924 2.256,925 45.111,929 105.94,930 83.212,931 101.265,932 39.149,936 83.212,937 145.089,938 101.265,940 2.85,941 99.231,942 50.357,943 28.241,944 3.798,945 145.089,947 105.94,948 184.477,950 39.149,952 108.268,956 24.658,957 107.134,958 89.505,960 105.94,961 101.265,962 122.361,965 105.94,966 16.878,967 66.334,968 18.011,969 122.402,970 105.94,971 101.265,972 122.361,973 0.57,974 0.335,975 0.192,976 0.105,977 15,978 6,979 0.059,980 2,981 1,982 1.125,983 3.252,984 150.692,985 0.125,986 16,987 84.439,993 12.943,994 5.511,995 2.78,996 2.221,997 101.265,998 14.044,999 12.218,1003 1.902,1005 50.908,1006 329.565,1007 30.5,1020 32.367,1021 36.096,1022 0.325,1023 0.657,1024 0.78,1025 0.891,1026 0.95,1027 0.975,1028 4.647,1029 0.895,1030 5.46,1031 2.826,1032 4.111,1033 4.779,1034 1.236,1035 6.24,1036 4.004,1037 5.862,1038 0.438,1039 6.991,1040 2.1,1041 3.611,1042 4.559,1044 7.05,1045 3.466,1046 7.167,1047 0.043,1048 8.62,1049 0.642,1050 5.666,1051 7.05,1052 1.194,1053 10.151,1054 5.474,1055 8.51,1056 -0.397,1057 10.308,1058 0.116,1059 5.969,1060 7.655,1062 11.801,1063 5.743,1064 9.882,1065 -0.541,1066 12.033,1067 -0.998,1068 7.489,1069 9.605,1070 1.222,1071 14.406,1072 7.235,1073 11.278,1074 -0.618,1075 13.787,1076 -1.395,1077 8.196,1078 10.638,1080 16.43,1081 7.923,1082 12.692,1083 -0.85,1084 15.561,1085 -1.478,1086 9.478,1087 12.335,1088 1.262,1089 18.855,1090 9.184,1091 3.05,1092 -1.064,1093 17.351,1094 -2.04,1095 10.388,1096 13.591,1098 21.045,1099 10.085,1100 2.775,1101 10.244,1102 19.155,1103 -2.55,1104 11.563,1105 15.169,1106 1.305,1107 23.403,1108 11.245,1109 2.203,1110 8.165,1111 20.97,1112 4.433,1113 12.572,1114 16.538,1116 25.666,1117 12.248,1118 1.973,1119 6.536,1120 22.793,1121 3.824,1122 13.701,1123 18.06,1124 1.348,1125 28,1126 13.366,1127 1.807,1128 5.528,1129 24.625,1130 2.94,1131 14.758,1132 19.485,1134 30.295,1135 14.418,1136 1.618,1137 5.139,1138 26.463,1139 2.558,1140 15.869,1141 20.983,1142 1.392,1143 32.621,1144 15.521,1145 1.269,1146 3.76,1147 28.306,1148 2.474,1149 16.948,1150 22.436,1152 34.932,1153 16.595,1154 3589,1155 6507,1156 14.909,1157 22.932,1158 32.161,1159 33.121,1160 33.246,1161 32.064,1162 32.144,1163 44.754,1164 2.86,1165 90.114,1166 30.225,1167 5.268,1168 5.127,1169 6.204,1170 5.135,1171 5.05,1172 7.433,1173 2.06,1174 17.085,1175 5.01,1176 7.754,1177 1.462,1178 1.506,1179 1.511,1180 1.457,1181 1.461,1182 2.034,1183 0.13,1184 4.096,1185 1.374,1186 4.089,1187 4.115,1188 4.049,1189 4.042,1190 5.263,1191 4.039,1192 3.825,1193 3.89,1194 3.89,1195 3.598,1196 4.911,1197 3.64,1198 3.47,1199 3.517,1200 3.562,1201 3.384,1202 4.787,1203 3.374,1204 3.219,1205 3.285,1206 3.36,1207 3.056,1208 4.573,1209 3.05,1210 3.133,1211 3.221,1212 3.045,1213 2.949,1214 4.336,1215 2.948,1216 2.89,1217 2.973,1218 2.8,1219 2.638,1220 4.019,1221 2.666,1222 2.665,1223 2.724,1224 2.601,1225 2.57,1226 3.761,1227 2.557,1228 2.559,1229 2.669,1230 2.535,1231 2.325,1232 3.633,1233 2.319,1234 0.205,1235 0.142,1236 0.296,1237 0.183,1238 0.139,1239 4.502,1240 0.202,1241 3.127,1242 0.047,1243 6.515,1244 0.466,1245 4.035,1246 0.137,1247 3.05,1248 4.433,1249 1.03,1250 10.244,1251 3.01,1252 2.071,1253 2.051,1254 2.152,1255 2.136,1256 1.285,1257 2.141,1258 1.693,1259 1.632,1260 1.752,1261 1.943,1262 0.814,1263 1.898,1264 1.479,1265 1.437,1266 1.655,1267 1.602,1268 0.701,1269 1.623,1270 1.161,1271 1.102,1272 1.359,1273 1.392,1274 0.418,1275 1.411,1276 1.074,1277 1.006,1278 1.294,1279 1.34,1280 0.251,1281 1.332,1282 0.829,1283 0.733,1284 1.103,1285 1.093,1286 0.062,1287 1.114,1288 0.688,1289 0.635,1290 0.948,1291 0.849,1293 0.88,1294 0.524,1295 0.428,1296 0.859,1297 0.83,1299 0.858,1300 3.807,1302 5.106,1304 6.616,1306 8.225,1308 9.883,1311 5.733,1313 5.64,1315 0.191,1317 3.162,1326 22.042,1327 52.068,1328 105.187,1329 124.839,1330 142.49,1331 152,1332 156,1333 21.008,1334 6.725,1335 76.72,1336 76.72,1337 18,1338 12.114,1339 4.17,1340 3.248,1341 29.87,1342 59,1343 54,1344 0.255,1345 141.768,1346 230.07,1347 337.674,1348 6809,1349 3.1,1350 13.949,1351 0.697,1352 0.565,1353 14.449,1354 11.301,1355 9.758,1356 0.444,1357 0.3,1358 6.044,1359 9.155,1360 5.872,1361 4.87,1362 10.112,1363 6.607,1364 8.588,1365 0.286,1366 0.15,1367 8.792,1368 4.486,1369 7.075,1370 0.181,1371 0.079,1372 7.363,1373 3.094,1374 6.216,1375 0.12,1376 0.041,1377 6.383,1378 2.128,1379 5.005,1380 0.078,1381 0.022,1382 5.265,1383 1.424,1384 0.389,1385 64.361,1386 0.259,1387 19.663,1388 0.732,1389 104,1390 304.784,1391 125.246,1392 332.243,1393 451.92,1394 312,1395 121,1396 318.981,1397 138.116,1398 330.842,1399 483.79,1400 311,1401 5.427}
{0 CHEMBL1379424,1 1.508,2 10.696,3 4.483,4 20.094,5 93.826,6 7.71,7 0.72,8 3.785,9 3.914,10 3.38,11 3.35,12 4.943,13 3.334,14 4.259,15 4.431,16 3.68,17 3.686,18 5.462,19 3.639,20 4.481,21 4.707,22 3.622,23 3.735,24 5.499,25 3.654,26 4.467,27 4.728,28 3.513,29 3.588,30 5.559,31 3.491,32 4.353,33 4.612,34 3.44,35 3.509,36 5.373,37 3.438,38 4.278,39 4.519,40 3.463,41 3.473,42 5.447,43 3.442,44 4.181,45 4.396,46 3.504,47 3.459,48 5.404,49 3.429,50 4.192,51 4.416,52 3.355,53 3.364,54 5.464,55 3.326,56 0.026,57 0.671,58 7.472,59 3.348,60 5.882,61 4.316,62 0.224,63 1.05,64 13.347,65 5.486,66 23.424,67 7.264,68 0.143,69 1.188,70 18.714,71 6.923,72 25.888,73 9.498,74 0.43,75 1.17,76 19.95,77 6.302,78 43.121,79 9.224,80 0.209,81 1.036,82 17.934,83 5.836,84 32.78,85 8.038,86 0.29,87 1.046,88 16.461,89 4.836,90 40.278,91 6.139,92 0.106,93 0.972,94 13.766,95 4.964,96 22.631,97 6.498,98 0.229,99 1.026,100 14.876,101 4.931,102 39.689,103 5.809,104 2,105 32,106 0.266,107 0.523,108 0.605,109 0.711,110 0.762,111 0.78,112 3.187,113 0.888,114 -5.41,115 -5.29,116 -4.94,120 45,126 2,143 11,144 2,148 2,151 1,174 12,176 1,177 2,180 3,182 3,185 12,194 4,197 6,201 3,204 1,205 1,206 5,209 1,214 6,219 2,222 2,227 7,232 2,235 3,240 5,245 4,247 3,252 2,257 4,260 3,264 1,269 2,271 5,274 756,275 15.861,276 15.861,277 15.861,278 15.861,279 15.861,280 13.61,281 21.052,282 9.882,283 16.176,284 12.416,285 12.416,286 12.416,287 12.416,288 12.416,289 9.146,290 37.432,291 4.808,292 12.962,293 3.814,294 2.353,295 1.889,296 1.288,297 1,298 0.9,299 3.876,306 1,307 1,308 529,309 2.55,313 241.529,320 1.883,321 17.722,323 1,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 49.5,333 246,334 4.188,335 3.073,336 5.745,337 3.733,338 2.813,339 3.829,340 0.657,341 8.187,342 2.598,343 3.902,344 2.781,345 5.362,346 3.525,347 2.536,348 3.447,349 0.657,350 7.029,351 2.511,352 3.886,353 2.751,354 5.328,355 3.481,356 2.493,357 3.439,359 6.936,360 2.45,361 3.365,362 2.408,363 4.977,364 2.983,365 2.054,366 2.619,368 5.934,369 1.902,370 3.278,371 2.224,372 4.73,373 2.827,374 1.942,375 2.529,377 5.252,378 1.705,379 2.915,380 1.605,381 3.64,382 2.482,383 1.492,384 2.084,386 3.149,387 1.474,388 2.905,389 1.571,390 3.63,391 2.467,392 1.474,393 2.073,395 3.128,396 1.463,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 1.843,416 0.877,417 3.131,418 1.58,419 0.649,420 0.752,422 1.518,423 0.602,424 1.806,425 0.766,426 3.11,427 1.518,428 0.576,429 0.687,431 1.372,432 0.541,433 0.984,434 0.194,435 2.466,436 0.586,437 -0.36,438 -0.459,440 -0.932,441 -0.31,442 0.961,443 -0.173,444 2.43,445 0.545,446 -0.377,447 -0.478,449 -0.991,450 -0.361,451 0.756,452 -0.212,453 2.073,454 0.374,455 -0.543,456 -0.649,458 -1.252,459 -0.502,460 0.578,461 -0.707,462 1.71,463 0.128,464 -0.831,465 -1.107,467 -1.979,468 -0.796,469 10.886,470 0.473,471 0.379,472 0.016,473 33.75,474 1.467,475 19,476 0.826,477 14.75,478 0.641,479 13.553,480 0.589,481 23.914,482 0.598,483 22.28,484 0.969,485 7.009,486 0.305,487 4.284,488 0.186,489 0.026,491 0.23,495 1,496 0.707,497 1.11,498 0.75,499 0.987,500 0.586,501 0.893,502 0.559,503 0.884,504 0.913,505 1.063,506 0.522,507 1.058,508 0.873,509 1.159,510 1.006,511 1.155,512 0.825,513 1.113,514 0.662,515 0.808,516 0.981,517 0.984,518 0.653,519 1.025,520 1.179,521 1.069,522 0.937,523 0.89,524 1.094,525 0.866,526 1.889,527 1.075,528 1.164,529 0.719,530 1.829,531 0.774,532 1.194,533 1.315,534 0.848,535 1.018,536 1.07,537 0.897,538 2.176,539 1.461,540 1.296,541 1.048,542 2.277,543 1.022,544 4,545 0.041,546 1.111,547 0.813,548 0.956,549 0.306,550 0.289,551 0.316,552 0.099,553 0.082,554 6351,555 16812,556 2.119,557 42.5,559 15,562 2,567 1.654,568 2.06,569 3.4,570 0.278,572 1,575 60.332,576 1.508,577 2.969,578 3.433,579 4.034,580 4.322,581 4.422,582 2.856,583 3.306,584 4.494,585 3.559,586 900.353,587 7.723,588 10735.6,590 1,592 1,593 212.877,594 0.998,595 4.488,596 0.16,597 0.004,598 0.035,599 0.028,600 0.04,601 0.013,602 0.012,603 0.012,604 0.005,605 0.006,606 0.314,607 0.33,608 1,609 0.393,610 109.807,611 -0.055,612 -0.102,613 0.031,614 -0.013,615 -0.059,616 0.019,617 0.226,618 0.111,619 -0.06,620 -0.113,621 0.129,622 -0.144,623 -0.053,624 -0.24,625 -0.068,626 -0.195,627 -0.072,628 -0.148,629 0.298,630 0.105,631 0.025,632 -0.068,633 0.157,634 -0.077,635 -0.098,636 -0.095,637 0.086,638 0.056,639 -0.061,640 0.098,641 -0.338,642 0.129,643 -0.118,644 0.196,645 -0.259,646 0.115,647 -0.044,648 -0.243,649 0.124,650 -0.057,651 0.114,652 0.042,653 -0.313,654 -0.097,655 -0.227,656 -0.079,657 -0.185,658 -0.12,659 2.23,660 5.648,661 0.783,662 21.69,663 1.003,664 1.131,665 4.182,666 17.49,667 0.682,668 3.258,669 3.497,670 3.664,671 3.871,672 4.043,673 3.932,674 4.007,675 4.078,676 4.205,677 4.19,678 6.376,679 0.654,680 308.39,681 3.258,682 4.745,683 5.541,684 6.368,685 7.175,686 8.007,687 8.819,688 9.653,689 10.468,690 11.303,691 10,696 2,701 2,709 11,710 2,714 5,716 18,729 2,737 1,738 40,739 18,740 2,741 25,743 42,744 18,745 16,746 2,747 10,752 3,753 3,768 16,769 2,786 1,787 1,789 17,790 5,791 2,792 5,797 4,803 1,817 1,823 3,855 3,861 1,862 23,869 2,871 2,885 1,893 11.167,894 6.96,895 5.167,896 2.25,898 3.051,899 1.453,900 1.003,901 5.047,902 9.793,903 3.555,904 4.103,905 4.588,906 5.091,907 5.562,908 5.416,909 5.619,910 5.957,911 6.433,912 6.729,913 1,914 29,915 8.469,917 3.498,918 7.775,919 16.057,921 12.627,924 2.275,925 52.333,928 1,929 176.567,930 127.74,931 69.593,934 14.96,936 127.74,937 176.567,938 84.553,940 4.211,941 104.239,942 69.593,943 21.331,944 12.919,945 176.567,947 176.567,948 197.333,949 14.96,952 176.567,954 14.96,956 6.111,957 121.63,958 69.593,960 191.527,961 69.593,962 127.74,965 176.567,966 23.502,967 104.239,968 36.022,969 48.531,970 176.567,971 84.553,972 127.74,973 0.559,974 0.305,975 0.165,976 0.09,977 14,978 5,979 0.143,980 6,982 1,983 3.745,984 169.112,986 18,987 96.042,993 15.292,994 7.591,995 4.682,997 84.553,998 21.005,999 8.065,1003 2.344,1005 36.022,1006 388.86,1007 34,1020 40.105,1021 45.239,1022 0.283,1023 0.558,1024 0.645,1025 0.758,1026 0.812,1027 0.831,1028 4.723,1029 1,1030 5.46,1031 3.128,1032 4.174,1033 4.787,1034 1.004,1035 6.125,1036 4.088,1037 5.885,1038 1,1039 6.915,1040 2.136,1041 3.434,1042 4.227,1044 6.629,1045 3.259,1046 7.138,1047 0.649,1048 8.459,1049 2.136,1050 5.624,1051 6.879,1052 0.558,1053 9.682,1054 5.449,1055 8.421,1056 0.576,1057 10.054,1058 1.518,1059 5.673,1060 7.08,1062 10.983,1063 5.404,1064 9.731,1065 -0.36,1066 11.682,1067 1.372,1068 7.296,1069 9.194,1070 0.28,1071 13.489,1072 7.031,1073 11.06,1074 -0.377,1075 13.331,1076 -0.932,1077 7.757,1078 9.798,1080 15.154,1081 7.398,1082 12.403,1083 -0.543,1084 14.995,1085 -0.991,1086 9.093,1087 11.625,1088 0.13,1089 17.43,1090 8.729,1091 2.813,1092 -0.831,1093 16.67,1094 -1.252,1095 9.789,1096 12.474,1098 19.285,1099 9.331,1100 2.536,1101 8.187,1102 18.353,1103 -1.979,1104 10.97,1105 14.123,1106 0.058,1107 21.456,1108 10.496,1109 2.493,1110 7.029,1111 20.042,1112 3.829,1113 11.802,1114 15.131,1116 23.414,1117 11.234,1118 2.054,1119 6.936,1120 21.736,1121 3.447,1122 12.9,1123 16.666,1124 0.026,1125 25.538,1126 12.303,1127 1.942,1128 5.934,1129 23.434,1130 3.439,1131 13.81,1132 17.781,1134 27.553,1135 13.121,1136 1.492,1137 5.252,1138 25.136,1139 2.619,1140 14.865,1141 19.241,1142 0.011,1143 29.657,1144 14.134,1145 1.474,1146 3.149,1147 26.841,1148 2.529,1149 15.822,1150 20.427,1152 31.705,1153 15.001,1154 6072,1155 10022,1156 17.277,1157 27.29,1158 36.254,1159 36.211,1160 35.975,1161 36.16,1162 36.059,1163 48.917,1164 2.629,1165 93.552,1166 34.493,1167 5.034,1168 5.073,1169 5.547,1170 4.806,1171 4.813,1172 6.829,1173 1.315,1174 14.187,1175 4.598,1176 5.92,1177 1.45,1178 1.448,1179 1.439,1180 1.446,1181 1.442,1182 1.957,1183 0.105,1184 3.742,1185 1.38,1186 3.964,1187 4.01,1188 3.908,1189 3.874,1190 8.203,1191 3.87,1192 3.898,1193 3.932,1194 3.822,1195 3.837,1196 4.938,1197 3.83,1198 3.81,1199 3.856,1200 3.769,1201 3.64,1202 4.747,1203 3.672,1204 3.33,1205 3.417,1206 3.203,1207 3.126,1208 4.742,1209 3.132,1210 3.219,1211 3.297,1212 3.098,1213 3.04,1214 4.186,1215 3.037,1216 2.854,1217 2.925,1218 2.746,1219 2.735,1220 3.928,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.684,1227 2.715,1228 2.806,1229 2.872,1230 2.687,1231 2.634,1232 3.674,1233 2.646,1234 0.168,1235 0.123,1236 0.23,1237 0.149,1238 0.113,1239 4.188,1240 0.153,1241 3.073,1242 0.026,1243 5.745,1244 0.327,1245 3.733,1246 0.104,1247 2.813,1248 3.829,1249 0.657,1250 8.187,1251 2.598,1252 1.918,1253 1.886,1254 2.045,1255 2.04,1256 1.156,1257 2.036,1258 1.908,1259 1.878,1260 2.038,1261 1.995,1262 1.15,1263 2.012,1264 1.726,1265 1.679,1266 1.799,1267 1.912,1268 0.81,1269 1.891,1270 1.291,1271 1.213,1272 1.54,1273 1.541,1274 0.684,1275 1.546,1276 1.193,1277 1.123,1278 1.444,1279 1.419,1280 0.577,1281 1.429,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.767,1295 0.702,1296 1.002,1297 0.982,1298 0.053,1299 0.995,1300 3.932,1302 5.187,1304 6.632,1306 8.158,1308 9.723,1312 13.648,1315 1.123,1317 6.147,1326 26.157,1327 60.332,1328 118.77,1329 137.314,1330 161.367,1331 172.877,1332 176.877,1333 30.644,1334 6.742,1335 49.84,1336 49.84,1337 18,1338 11.877,1339 4.248,1340 3.322,1341 36.935,1342 88,1343 78,1344 0.202,1345 163.281,1346 276.49,1347 390.166,1348 7649,1349 2.5,1350 15.908,1351 0.692,1352 0.545,1353 15.037,1354 12.537,1355 11.293,1356 0.452,1357 0.296,1358 7.301,1359 10.921,1360 7.164,1361 5.981,1362 10.899,1363 7.396,1364 9.707,1365 0.303,1366 0.159,1367 9.061,1368 5.078,1369 7.554,1370 0.199,1371 0.087,1372 7.307,1373 3.305,1374 6.264,1375 0.133,1376 0.046,1377 5.821,1378 2.153,1379 4.922,1380 0.088,1381 0.025,1382 4.715,1383 1.406,1384 0.323,1385 70.348,1386 0.241,1387 23.116,1388 0.538,1389 114,1390 368.067,1391 125.796,1392 339.28,1393 459.53,1394 318,1395 127,1396 334.347,1397 137.404,1398 335.798,1399 483.62,1400 316,1401 4.041}
{0 CHEMBL1379573,1 1.596,2 9,3 3.383,4 11.445,5 89.789,6 8.404,7 0.692,8 3.74,9 3.847,10 3.406,11 3.362,12 5.012,13 3.353,14 4.17,15 4.301,16 3.704,17 3.688,18 5.458,19 3.665,20 4.408,21 4.591,22 3.75,23 3.74,24 5.687,25 3.703,26 4.371,27 4.576,28 3.68,29 3.6,30 5.637,31 3.585,32 4.321,33 4.51,34 3.712,35 3.597,36 5.766,37 3.592,38 4.358,39 4.56,40 3.624,41 3.661,42 5.628,43 3.616,44 4.319,45 4.51,46 3.546,47 3.649,48 5.578,49 3.587,50 4.221,51 4.406,52 3.44,53 3.587,54 5.428,55 3.51,56 0.062,57 0.596,58 5.636,59 3.162,60 5.875,61 3.643,62 0.128,63 0.908,64 9.552,65 4.902,66 13.132,67 5.731,68 0.247,69 1.129,70 15.264,71 6.571,72 38.279,73 7.869,74 0.283,75 1.085,76 15.731,77 5.715,78 41.52,79 6.765,80 0.461,81 1.06,82 14.378,83 5.008,84 64.706,85 5.794,86 0.314,87 1.029,88 15.378,89 5.836,90 38.001,91 7.079,92 0.28,93 0.898,94 14.894,95 6.217,96 44.269,97 7.51,98 0.164,99 0.852,100 12.936,101 6.036,102 29.767,103 7.365,104 5,105 34,106 0.281,107 0.494,108 0.665,109 0.832,110 0.888,111 0.888,112 3.228,113 0.846,114 -4.95,115 -4.86,116 -4.55,120 50,143 11,144 3,145 1,146 2,158 1,159 1,170 1,174 12,177 5,180 1,182 1,185 12,188 1,189 7,194 4,197 8,200 1,201 7,206 4,209 5,214 7,217 1,219 4,222 7,227 6,232 1,235 10,239 1,240 5,247 12,252 3,260 12,264 1,271 8,274 880,275 16.466,276 16.466,277 16.466,278 16.466,279 16.466,280 13.937,281 7.437,282 10.118,283 16.638,284 12.859,285 12.859,286 12.859,287 12.859,288 12.859,289 9.224,290 4.691,291 4.826,292 13.116,293 3.652,294 2.445,295 1.475,296 0.526,297 0.211,298 0.211,299 3.913,305 1,306 1,307 1,308 461,309 3.162,313 262.416,320 1.167,321 25.411,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 52,333 216,334 4.375,335 3.561,336 6.499,337 4,338 3.014,339 3.948,340 0.98,341 10.178,342 2.97,343 4.195,344 3.152,345 6.051,346 3.824,347 2.824,348 3.783,350 8.693,351 2.819,352 3.736,353 2.881,354 5.247,355 3.27,356 2.278,357 3.298,359 6.4,360 2.259,361 3.601,362 2.278,363 5.001,364 3.182,365 2.226,366 2.927,368 5.921,369 2.108,370 3.257,371 1.922,372 4.264,373 2.719,374 1.748,375 2.559,377 4.093,378 1.694,379 2.858,380 1.875,381 4.014,382 2.416,383 1.438,384 1.963,386 3.459,387 1.392,388 2.781,389 1.317,390 3.555,391 2.3,392 1.317,393 1.908,395 2.88,396 1.293,397 2.621,398 1.304,399 3.48,400 2.143,401 1.154,402 1.647,404 2.572,405 1.139,406 2.5,407 1.192,408 3.385,409 2,410 1,411 1.5,413 2.138,414 1,415 2.5,416 1,417 3.247,418 1.957,419 1,420 1.5,422 2.136,423 0.954,424 2.47,425 1,426 3.247,427 1.854,428 0.853,429 1.32,431 2.136,432 0.847,433 1.401,434 0.593,435 2.818,436 1.127,437 0.107,438 0.131,440 0.254,441 0.109,442 0.944,443 0.191,444 2.198,445 0.5,446 -0.405,447 -0.511,449 -0.899,450 -0.349,451 0.719,452 -0.317,453 2.195,454 0.278,455 -0.705,456 -0.952,458 -1.547,459 -0.688,460 0.717,461 -0.653,462 2,463 0.226,464 -0.778,465 -1.056,467 -1.942,468 -0.762,469 11.319,470 0.472,471 0.435,472 0.018,473 35.5,474 1.479,475 21,476 0.875,477 14.5,478 0.604,479 13.982,480 0.583,481 24.081,482 0.634,483 25.934,484 1.081,485 7.538,486 0.314,487 4.199,488 0.175,489 0.055,491 0.265,494 1,496 0.543,497 0.876,498 0.66,499 0.878,500 0.532,501 0.815,502 0.659,503 1.059,504 0.86,505 1.067,506 0.627,507 1.022,508 0.958,509 1.167,510 0.956,511 1.104,512 0.957,513 1.051,514 1.15,515 1.101,516 0.976,517 0.966,518 1.044,519 0.926,520 0.999,521 0.883,522 0.989,523 0.842,524 0.865,525 0.873,526 0.934,527 0.736,528 1.015,529 0.877,530 0.854,531 0.928,532 0.895,533 0.678,534 0.992,535 0.903,536 1.025,537 0.96,538 0.813,539 0.903,540 0.997,541 1.101,542 0.961,543 1.111,544 3.5,545 0.066,546 2.444,547 1.375,548 0.684,549 0.514,550 0.504,551 0.247,552 0.157,553 0.125,554 6252,555 19443,556 2.089,557 36.8,559 11,561 2,562 1,567 1.673,568 2,569 3.188,570 -0.342,571 1,572 1,574 1,575 60.653,576 1.596,577 2.803,578 3.773,579 4.722,580 5.037,581 5.037,582 2.459,583 3.637,584 4.559,585 3.336,586 920.847,587 7.89,588 11045.6,589 1,590 1,591 1,592 1,593 199.421,594 1.189,595 4.536,596 0.135,597 0.005,598 0.072,599 0.04,600 0.022,601 0.016,602 0.017,603 0.009,604 0.006,605 0.006,606 0.329,607 0.33,608 1,609 0.49,610 113.789,611 0.02,612 0.05,613 0.027,614 0.03,615 -0.048,616 0.028,617 0.019,618 -0.122,619 -0.098,620 -0.15,621 -0.006,622 -0.152,623 -0.018,624 -0.192,625 -0.025,626 -0.147,627 -0.023,628 -0.106,629 -0.114,630 -0.139,631 0.011,632 -0.054,633 -0.077,634 -0.006,635 0.113,636 0.136,637 -0.039,638 0.041,639 0.145,640 -0.009,641 -0.059,642 0.148,643 -0.063,644 0.055,645 -0.013,646 0.019,647 -0.048,648 0.08,649 -0.042,650 0.075,651 -0.05,652 0.032,653 -0.041,654 -0.093,655 -0.068,656 -0.092,657 -0.074,658 -0.093,659 2.146,660 5.232,661 0.75,662 18.333,663 1.012,664 1.119,665 3.722,666 13.85,667 0.71,668 3.296,669 3.555,670 3.784,671 3.989,672 4.174,673 4.078,674 4.159,675 4.159,676 4.159,677 4.143,678 5.748,679 0.693,680 319.36,681 3.296,682 4.796,683 5.617,684 6.46,685 7.298,686 8.147,687 8.991,688 9.843,689 10.69,690 11.542,691 7.9,698 1,700 1,701 1,709 13,710 1,714 4,716 18,737 1,738 38,739 20,740 2,741 26,743 40,744 19,745 17,746 3,747 9,748 2,752 3,753 3,755 1,768 19,772 2,778 1,781 1,782 2,785 1,786 1,787 1,789 14,790 5,791 1,792 5,797 3,803 1,804 1,816 1,823 3,855 3,861 1,862 24,871 1,885 1,886 2.6,889 1,893 12,894 6.793,895 5.417,896 2.116,898 2.737,899 1.416,900 0.999,901 4.854,902 9.313,903 3.638,904 4.197,905 4.751,906 5.277,907 5.784,908 5.798,909 6.17,910 6.39,911 6.694,912 7.002,913 0.833,914 34,915 8.833,917 3.719,918 7.979,919 16.359,921 12.867,924 2.479,925 59.5,929 153.024,930 148.473,931 51.337,933 25.145,934 14.96,936 148.473,937 178.169,938 66.297,940 17.888,941 104.239,942 72.934,943 53.436,944 14.96,945 129.482,947 153.024,948 199.809,949 40.105,952 167.984,953 25.145,956 52.646,957 130.378,958 16.786,960 167.984,961 76.482,962 148.473,965 153.024,966 26.139,967 122.334,968 17.888,969 73.554,970 153.024,971 91.442,972 148.473,973 0.564,974 0.325,975 0.177,976 0.098,977 15,978 6,979 0.1,980 4,982 1,983 3.658,984 187.568,986 18,987 106.039,993 15.729,994 7.407,995 3.991,997 91.442,998 21.879,999 4.085,1003 1.341,1005 17.888,1006 392.939,1007 37,1013 12.163,1016 4.225,1017 0.097,1020 38.447,1021 42.535,1022 0.304,1023 0.534,1024 0.719,1025 0.9,1026 0.96,1027 0.96,1028 4.816,1029 1.154,1030 5.557,1031 2.88,1032 4.234,1033 4.883,1034 1.072,1035 6.297,1036 4.198,1037 6.003,1038 1,1039 7.067,1040 2.572,1041 3.611,1042 4.369,1044 7.081,1045 3.558,1046 7.278,1047 1,1048 8.685,1049 2.138,1050 5.746,1051 7.008,1052 1.045,1053 10.181,1054 5.685,1055 8.59,1056 0.853,1057 10.369,1058 2.136,1059 5.994,1060 7.327,1062 11.864,1063 5.926,1064 9.934,1065 0.107,1066 12.099,1067 2.136,1068 7.549,1069 9.385,1070 1.019,1071 14.447,1072 7.47,1073 11.302,1074 -0.405,1075 13.86,1076 0.254,1077 8.219,1078 10.13,1080 16.488,1081 8.136,1082 12.688,1083 -0.705,1084 15.643,1085 -0.899,1086 9.513,1087 11.891,1088 0.993,1089 18.892,1090 9.419,1091 3.014,1092 -0.778,1093 17.442,1094 -1.547,1095 10.394,1096 12.879,1098 21.083,1099 10.294,1100 2.824,1101 10.178,1102 19.254,1103 -1.942,1104 11.569,1105 14.473,1106 0.967,1107 23.423,1108 11.458,1109 2.278,1110 8.693,1111 21.074,1112 3.948,1113 12.555,1114 15.607,1116 25.678,1117 12.436,1118 2.226,1119 6.4,1120 22.902,1121 3.783,1122 13.678,1123 17.104,1124 0.942,1125 27.996,1126 13.547,1127 1.748,1128 5.921,1129 24.735,1130 3.298,1131 14.715,1132 18.326,1134 30.281,1135 14.574,1136 1.438,1137 4.093,1138 26.573,1139 2.927,1140 15.816,1141 19.766,1142 0.917,1143 32.593,1144 15.662,1145 1.317,1146 3.459,1147 28.415,1148 2.559,1149 16.878,1150 21.042,1152 34.892,1153 16.713,1154 6059,1155 10818,1156 17.682,1157 26.978,1158 38.481,1159 39.341,1160 38.844,1161 38.042,1162 37.919,1163 52.967,1164 1.96,1165 101.719,1166 37.167,1167 5.154,1168 5.561,1169 6.301,1170 5.036,1171 5.014,1172 6.948,1173 1.96,1174 16.912,1175 4.97,1176 8.64,1177 1.48,1178 1.513,1179 1.494,1180 1.463,1181 1.458,1182 2.037,1183 0.075,1184 3.912,1185 1.43,1186 3.991,1187 4.023,1188 3.945,1189 3.912,1190 8.201,1191 3.914,1192 3.907,1193 3.931,1194 3.859,1195 3.836,1196 7.429,1197 3.837,1198 3.787,1199 3.827,1200 3.716,1201 3.699,1202 4.956,1203 3.699,1204 3.416,1205 3.475,1206 3.37,1207 3.161,1208 4.758,1209 3.202,1210 3.114,1211 3.142,1212 3.064,1213 2.978,1214 4.613,1215 2.992,1216 2.895,1217 2.955,1218 2.802,1219 2.735,1220 4.479,1221 2.734,1222 2.854,1223 2.925,1224 2.687,1225 2.733,1226 3.815,1227 2.715,1228 2.773,1229 2.855,1230 2.629,1231 2.626,1232 3.696,1233 2.614,1234 0.168,1235 0.137,1236 0.25,1237 0.154,1238 0.116,1239 4.375,1240 0.152,1241 3.561,1242 0.038,1243 6.499,1244 0.391,1245 4,1246 0.114,1247 3.014,1248 3.948,1249 0.98,1250 10.178,1251 2.97,1252 1.946,1253 1.919,1254 2.045,1255 2.044,1256 1.122,1257 2.043,1258 1.889,1259 1.867,1260 1.986,1261 1.983,1262 1.059,1263 1.984,1264 1.779,1265 1.742,1266 1.906,1267 1.893,1268 0.928,1269 1.902,1270 1.281,1271 1.231,1272 1.399,1273 1.578,1274 0.387,1275 1.527,1276 1.063,1277 1.035,1278 1.22,1279 1.227,1280 0.269,1281 1.22,1282 0.886,1283 0.821,1284 1.181,1285 1.068,1286 0.218,1287 1.107,1288 0.858,1289 0.804,1290 1.099,1291 1.062,1292 0.129,1293 1.077,1294 0.771,1295 0.705,1296 1.05,1297 0.989,1298 0.11,1299 1.013,1300 3.97,1302 5.242,1304 6.718,1306 8.279,1308 9.882,1312 13.232,1317 2.478,1326 26.323,1327 60.653,1328 106.507,1329 143.367,1330 179.421,1331 191.421,1332 191.421,1333 43.161,1334 6.576,1335 54.35,1336 54.35,1337 18,1338 12.099,1339 4.392,1340 3.585,1341 39.047,1342 80,1343 76,1344 0.229,1345 164.221,1346 286.3,1347 392.458,1348 5255,1349 2.6,1350 16.778,1351 0.699,1352 0.529,1353 15.908,1354 12.686,1355 11.737,1356 0.451,1357 0.282,1358 7.246,1359 11.349,1360 7.111,1361 5.934,1362 11.343,1363 7.333,1364 10.047,1365 0.295,1366 0.148,1367 9.413,1368 5.019,1369 8.248,1370 0.192,1371 0.078,1372 7.921,1373 3.338,1374 6.67,1375 0.126,1376 0.041,1377 6.375,1378 2.196,1379 5.374,1380 0.084,1381 0.022,1382 5.101,1383 1.404,1384 0.355,1385 73.275,1386 0.238,1387 23.373,1388 0.642,1389 120,1390 423.47,1391 130.874,1392 391.254,1393 522.41,1394 364,1395 137,1396 374.534,1397 147.537,1398 376.583,1399 540.97,1400 354,1401 4.668}
{0 CHEMBL1379596,1 1.626,2 10.174,3 3.033,4 9.2,5 92.268,6 7.939,7 0.25,8 3.817,9 3.912,10 3.465,11 3.391,12 5.01,13 3.344,14 4.314,15 4.466,16 3.884,17 3.769,18 5.474,19 3.707,20 4.525,21 4.652,22 3.9,23 3.882,24 5.832,25 3.795,26 4.705,27 4.942,28 3.766,29 3.811,30 5.85,31 3.683,32 4.417,33 4.606,34 3.766,35 3.713,36 5.59,37 3.588,38 4.373,39 4.558,40 3.644,41 3.639,42 5.649,43 3.519,44 4.245,45 4.43,46 3.453,47 3.423,48 5.589,49 3.349,50 4.104,51 4.273,52 3.201,53 3.232,54 5.47,55 3.16,56 0.067,57 0.556,58 8.569,59 4.319,60 10.387,61 4.963,62 0.226,63 0.884,64 17.204,65 7.102,66 30.452,67 8.454,68 0.309,69 1.056,70 22.379,71 9.062,72 36.336,73 10.187,74 0.585,75 1.146,76 30.06,77 10.052,78 88.202,79 12.285,80 0.293,81 0.95,82 22.834,83 8.308,84 48.747,85 9.369,86 0.437,87 0.963,88 28.49,89 8.111,90 61.038,91 8.553,92 0.327,93 0.741,94 17,95 6.193,96 52.066,97 7.66,98 0.456,99 0.6,100 14.265,101 4.963,102 67.68,103 5.688,104 56,105 35,106 0.288,107 0.66,108 0.766,109 0.795,110 0.795,111 0.795,112 3.188,113 0.983,114 -2.8,115 -2.81,116 -2.72,120 40.5,121 3,124 1,125 1,136 2,139 1,140 1,143 3,144 1,145 2,157 1,159 1,174 7,177 3,180 1,182 3,185 10,189 7,192 1,194 3,197 6,201 4,204 1,206 4,209 4,214 3,219 5,222 5,226 1,227 3,232 2,235 3,240 5,243 1,244 1,247 5,251 1,252 2,255 1,257 1,260 5,264 2,271 7,274 737,275 14.513,276 14.513,277 14.513,278 14.513,279 14.513,280 13.114,281 16.541,282 8.192,283 14.905,284 11.74,285 11.74,286 11.74,287 11.74,288 11.74,289 9.405,290 17.923,291 3.805,292 12.303,293 3.767,294 1.67,295 1.067,296 0.906,297 0.906,298 0.906,299 3.838,305 1,306 1,307 1,308 472,309 3.873,312 71.811,313 82.892,320 1.675,321 30.836,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 50.5,333 234,334 4.429,335 4.649,336 7.058,337 4.306,338 3.295,339 3.938,340 3.147,341 11.37,342 3.331,343 4.308,344 3.89,345 6.181,346 3.915,347 2.97,348 3.679,349 1.277,350 9.235,351 2.815,352 4.159,353 3.389,354 6.047,355 3.765,356 2.823,357 3.484,358 1.048,359 8.663,360 2.646,361 3.63,362 3.124,363 5.294,364 3.213,365 2.255,366 2.902,367 0.86,368 6.793,369 2.149,370 3.402,371 2.932,372 5.074,373 2.964,374 1.984,375 2.602,377 5.964,378 1.923,379 2.848,380 2.451,381 4.234,382 2.417,383 1.478,384 1.978,386 3.76,387 1.381,388 2.763,389 2.296,390 4.184,391 2.317,392 1.293,393 1.687,395 3.559,396 1.295,397 2.69,398 1.887,399 4.102,400 2.198,401 1.269,402 1.595,404 3.446,405 1.142,406 1.831,407 1.102,408 3.078,409 1.543,410 0.663,411 0.749,413 1.207,414 0.576,415 1.309,416 0.988,417 2.849,418 0.868,419 -0.04,420 -0.048,422 -0.087,423 -0.036,424 1.131,425 0.467,426 2.746,427 0.692,428 -0.325,429 -0.399,431 -0.707,432 -0.29,433 0.944,434 0.363,435 2.307,436 0.565,437 -0.354,438 -0.492,440 -0.903,441 -0.356,442 0.741,443 0.134,444 2,445 0.314,446 -0.668,447 -0.886,449 -1.704,450 -0.634,451 0.45,452 -0.374,453 2,454 0.001,455 -1,456 -1,458 -2.598,459 -0.95,460 0.054,461 -0.517,462 2,464 -1,465 -1,467 -3,468 -1,469 11.067,470 0.481,471 0.884,472 0.038,473 26.75,474 1.163,475 13,476 0.565,477 13.75,478 0.598,479 20.641,480 0.897,481 25.533,482 0.608,483 19.91,484 0.866,485 5.146,486 0.224,487 5.555,488 0.242,489 0.271,490 0.045,491 0.316,496 0.782,497 1.106,498 0.769,499 0.956,500 0.703,501 0.935,502 0.753,503 0.919,504 0.686,505 0.817,506 0.571,507 0.736,508 0.919,509 1.394,510 1.209,511 1.426,512 0.989,513 1.327,514 1.112,515 0.778,516 0.824,517 0.743,518 1.27,519 0.815,520 1.025,521 1.112,522 1.117,523 1.055,524 1.097,525 0.948,526 1.031,527 1.128,528 1.93,529 1.55,530 0.846,531 1.06,532 0.786,533 1.187,534 0.843,535 1.151,536 0.921,537 1.121,538 1.563,539 0.851,540 1.019,541 0.814,542 2.037,543 1.034,544 7.5,545 0.14,546 3.111,547 1.979,548 1.258,549 0.841,550 0.69,551 0.318,552 0.262,553 0.18,554 5207,555 16324,556 1.888,557 45.2,558 9,559 8,562 2,567 1.655,568 1.693,569 3.302,570 0.321,571 1,572 1,574 1,575 68.28,576 1.626,577 3.722,578 4.326,579 4.487,580 4.487,581 4.487,582 2.757,583 4.23,584 4.494,585 3.489,586 882.656,587 7.726,588 10221.2,589 1,590 1,592 1,593 226.477,594 1.771,595 4.392,596 0.313,597 0.012,598 0.089,599 0.06,600 0.047,601 0.031,602 0.028,603 0.015,604 0.016,605 0.011,606 0.621,607 0.33,608 1,609 1.419,610 108.678,611 -0.074,612 0.017,613 0.038,614 0.061,615 -0.105,616 0.038,617 0.043,618 0.142,619 0.255,620 0.22,621 0.069,622 0.258,623 0.011,624 -0.343,625 -0.208,626 -0.351,627 -0.027,628 -0.35,629 -0.071,630 0.144,631 0.144,632 0.186,633 -0.114,634 0.161,635 -0.1,636 -0.071,637 0.067,638 0.074,639 -0.089,640 0.055,641 -0.062,642 0.078,643 -0.347,644 -0.2,645 0.103,646 -0.055,647 0.194,648 -0.224,649 0.019,650 -0.242,651 0.176,652 -0.163,653 -0.102,654 0.077,655 -0.18,656 0.03,657 -0.281,658 -0.143,659 1.932,660 5,661 0.478,662 19.966,663 1.01,664 1.119,665 1.569,666 2.463,667 0.674,668 3.219,669 3.584,670 3.738,671 3.871,672 4.007,673 4.043,674 4.159,675 4.19,676 4.111,677 4.094,678 6.074,679 0.638,680 333.44,681 3.219,682 4.779,683 5.602,684 6.482,685 7.326,686 8.202,687 9.055,688 9.928,689 10.786,690 11.659,691 2.4,698 1,709 3,714 3,716 6,734 1,735 1,738 42,739 10,740 1,741 24,743 43,744 17,745 6,746 3,747 3,748 6,752 2,753 2,759 3,760 1,768 12,769 5,772 4,778 2,780 2,782 4,785 1,786 1,789 19,790 5,791 2,792 6,793 1,797 1,803 1,804 4,822 1,823 1,836 1,838 1,845 3,855 2,856 1,857 1,859 4,862 23,868 1,871 1,872 1,873 1,876 1,886 9.5,888 1,889 2,891 1,893 13.583,894 8.783,895 4.972,896 2.265,898 2.207,899 1.338,900 0.897,901 5.222,902 8.737,903 3.466,904 4.034,905 4.491,906 4.912,907 5.368,908 5.614,909 5.944,910 6.21,911 6.452,912 6.611,913 0.857,914 33,915 8.515,917 3.591,918 8.054,919 15.75,921 12.49,924 2.554,925 58.75,928 1,929 200.109,930 137.899,931 18.011,933 103.973,935 32.22,936 105.68,937 304.082,938 18.011,939 37.359,940 18.011,941 47.381,942 104.362,943 20.551,945 232.328,947 200.109,948 123.69,949 103.973,950 32.22,952 200.109,953 103.973,956 44.486,957 58.701,958 20.503,959 32.22,960 200.109,961 121.984,962 137.899,965 200.109,966 53.159,967 84.74,968 18.011,969 103.973,970 200.109,971 121.984,972 137.899,973 0.601,974 0.336,975 0.149,976 0.076,977 16,978 9,979 0.093,980 4,982 1,983 3.385,984 172.094,986 11,987 99.287,989 1,993 17.637,994 6.81,995 4.395,997 121.984,998 4.877,1003 1.042,1005 60.694,1006 459.992,1007 31,1013 23.989,1015 3.108,1017 0.656,1020 42.44,1021 46.993,1022 0.301,1023 0.69,1024 0.802,1025 0.832,1026 0.832,1027 0.832,1028 4.741,1029 1.269,1030 5.666,1031 3.559,1032 4.263,1033 4.718,1034 3.323,1035 6.509,1036 4.185,1037 5.992,1038 0.663,1039 7.272,1040 3.446,1041 4.205,1042 4.732,1044 7.695,1045 4.131,1046 7.334,1047 -0.04,1048 8.983,1049 1.207,1050 5.969,1051 6.865,1052 5.328,1053 10.629,1054 5.847,1055 8.705,1056 -0.325,1057 10.754,1058 -0.087,1059 6.635,1060 7.557,1062 12.556,1063 6.527,1064 10.101,1065 -0.354,1066 12.562,1067 -0.707,1068 7.988,1069 9.267,1070 7.579,1071 15.106,1072 7.855,1073 11.512,1074 -0.668,1075 14.397,1076 -0.903,1077 8.942,1078 10.261,1080 17.318,1081 8.825,1082 12.936,1083 -1,1084 16.252,1085 -1.704,1086 10.16,1087 11.791,1088 9.866,1089 19.759,1090 10.037,1091 3.295,1092 -1,1093 18.122,1094 -2.598,1095 11.231,1096 12.938,1098 22.087,1099 11.126,1100 2.97,1101 11.37,1102 20.004,1103 -3,1104 12.405,1105 14.383,1106 12.158,1107 24.501,1108 12.307,1109 2.823,1110 9.235,1111 21.897,1112 3.938,1113 13.527,1114 15.613,1116 26.88,1117 13.449,1118 2.255,1119 8.663,1120 23.798,1121 3.679,1122 14.69,1123 17.013,1124 14.451,1125 29.292,1126 14.626,1127 1.984,1128 6.793,1129 25.707,1130 3.484,1131 15.836,1132 18.291,1134 31.694,1135 15.793,1136 1.478,1137 5.964,1138 27.622,1139 2.902,1140 16.999,1141 19.667,1142 16.744,1143 34.11,1144 16.974,1145 1.293,1146 3.76,1147 29.542,1148 2.602,1149 18.157,1150 20.974,1152 36.524,1153 18.154,1154 5400,1155 9695,1156 14.622,1157 28.324,1158 36.903,1159 41.113,1160 38.006,1161 36.026,1162 36.061,1163 45.231,1164 12.665,1165 107.994,1166 34.516,1167 5.225,1168 6.649,1169 6.6,1170 5.414,1171 5.295,1172 6.938,1173 6.294,1174 18.241,1175 5.331,1176 16.034,1177 1.538,1178 1.713,1179 1.584,1180 1.501,1181 1.503,1182 1.885,1183 0.528,1184 4.5,1185 1.438,1186 3.967,1187 3.98,1188 4.09,1189 3.908,1190 7.431,1191 3.897,1192 3.835,1193 3.862,1194 3.833,1195 3.74,1196 7.425,1197 3.731,1198 3.667,1199 3.695,1200 3.656,1201 3.57,1202 6.47,1203 3.546,1204 3.298,1205 3.347,1206 3.186,1207 3.135,1208 4.785,1209 3.138,1210 3.179,1211 3.223,1212 3.039,1213 2.932,1214 4.479,1215 2.943,1216 2.956,1217 3.009,1218 2.908,1219 2.746,1220 4.331,1221 2.752,1222 2.889,1223 3.009,1224 2.823,1225 2.68,1226 4.216,1227 2.692,1228 2.874,1229 2.985,1230 2.707,1231 2.618,1232 3.821,1233 2.57,1234 0.185,1235 0.194,1236 0.294,1237 0.179,1238 0.137,1239 4.429,1240 0.164,1241 4.649,1242 0.131,1243 7.058,1244 0.474,1245 4.306,1246 0.139,1247 3.295,1248 3.938,1249 3.147,1250 11.37,1251 3.331,1252 1.903,1253 1.89,1254 1.994,1255 1.993,1256 1.193,1257 1.991,1258 1.796,1259 1.761,1260 1.986,1261 1.942,1262 1.099,1263 1.96,1264 1.45,1265 1.446,1266 1.595,1267 1.669,1268 0.675,1269 1.637,1270 1.413,1271 1.374,1272 1.547,1273 1.551,1274 0.61,1275 1.572,1276 1.17,1277 1.099,1278 1.435,1279 1.44,1280 0.54,1281 1.463,1282 0.934,1283 0.84,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.883,1295 0.804,1296 1.139,1297 1.156,1298 0.157,1299 1.133,1300 3.892,1302 5.242,1303 2.398,1304 6.756,1305 4.727,1306 8.338,1307 6.783,1308 9.955,1310 6.941,1314 9.774,1317 2.673,1318 4.982,1319 1.202,1322 -0.494,1326 26.809,1327 68.28,1328 156.338,1329 181.683,1330 188.438,1331 188.438,1332 188.438,1333 62.844,1334 6.531,1335 79.39,1336 107.63,1337 11,1338 12.203,1339 3.459,1340 3,1341 45.448,1342 83,1343 83,1344 0.271,1345 172.472,1346 313.23,1347 412.591,1348 5008,1350 17.198,1351 0.748,1352 0.621,1353 17.552,1354 14.283,1355 10.702,1356 0.446,1357 0.328,1358 7.015,1359 9.835,1360 6.578,1361 5.574,1362 11.11,1363 7.862,1364 10.638,1365 0.304,1366 0.206,1367 11.307,1368 7.203,1369 7.927,1370 0.193,1371 0.101,1372 8.696,1373 4.145,1374 5.669,1375 0.121,1376 0.057,1377 6.566,1378 2.693,1379 4.119,1380 0.076,1381 0.033,1382 4.87,1383 1.789,1384 0.427,1385 71.549,1386 0.262,1387 22.698,1388 0.737,1389 118,1390 390.55,1391 155.533,1392 392.484,1393 516.41,1394 362,1395 135,1396 346.845,1397 168.958,1398 370.793,1399 534.53,1400 343,1401 4.379}
{0 CHEMBL1380514,1 1.46,2 7.824,3 2.834,4 8.029,5 66.048,6 7.576,7 0.667,8 3.487,9 3.592,10 3.051,11 3.08,12 4.704,13 3.055,14 3.92,15 4.061,16 3.365,17 3.412,18 5.129,19 3.366,20 4.159,21 4.33,22 3.389,23 3.472,24 5.377,25 3.413,26 4.196,27 4.414,28 3.238,29 3.297,30 5.55,31 3.222,32 3.995,33 4.226,34 2.992,35 3.09,36 5.22,37 3.03,38 3.686,39 3.867,40 2.882,41 3.014,42 4.909,43 2.955,44 3.705,45 3.901,46 2.769,47 3.005,48 4.855,49 2.902,50 3.654,51 3.89,52 2.348,53 2.793,54 4.688,55 2.636,56 0.032,57 0.386,58 5.718,59 2.731,60 7.694,61 3.344,62 0.068,63 0.591,64 9.4,65 4.378,66 11.601,67 5.647,68 0.085,69 0.729,70 13.019,71 5.32,72 21.938,73 6.776,74 0.299,75 0.724,76 15.21,77 5.32,78 54.767,79 7.007,80 0.221,81 0.575,82 13.029,83 4.29,84 45.166,85 5.415,86 0.115,87 0.442,88 8.418,89 3.212,90 22.185,91 3.983,92 0.065,93 0.433,94 8.601,95 3.725,96 16.402,97 4.808,98 0.129,99 0.396,100 9.018,101 3.476,102 28.607,103 4.511,104 10,105 24,106 0.278,107 0.6,108 0.714,109 0.841,110 0.854,111 0.854,112 2.907,113 0.888,114 -4.55,115 -4.47,116 -4.21,120 46.7,121 1,143 8,144 2,145 2,159 1,174 9,177 1,180 1,182 5,185 10,189 1,194 5,197 6,201 4,204 1,205 1,206 4,209 2,214 3,219 2,222 4,227 1,232 2,235 7,240 1,245 2,247 8,257 1,260 5,269 1,271 3,274 305,275 11.276,276 11.276,277 11.276,278 11.276,279 11.276,280 9.604,281 12.102,282 6.752,283 11.341,284 8.861,285 8.861,286 8.861,287 8.861,288 8.861,289 6.453,290 13.97,291 3.209,292 8.973,293 3.447,294 1.758,295 1.158,296 0.492,297 0.425,298 0.425,299 3.559,306 1,307 1,308 276,309 2.449,313 114.766,320 1.149,321 17.237,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 36.5,333 133,334 4.324,335 3.603,336 6.395,337 3.962,338 2.971,339 3.926,340 1.058,341 9.673,342 2.937,343 4.003,344 2.746,345 5.455,346 3.583,347 2.598,348 3.61,350 7.25,351 2.56,352 3.509,353 2.641,354 4.974,355 3.14,356 2.158,357 2.805,359 5.842,360 2.111,361 3.236,362 2.245,363 4.712,364 2.813,365 1.812,366 2.472,368 4.88,369 1.805,370 2.861,371 1.543,372 3.78,373 2.392,374 1.414,375 2.015,377 3.058,378 1.377,379 2.544,380 1.311,381 3.565,382 2.042,383 1.032,384 1.505,386 2.554,387 1.037,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 1.404,398 0.654,399 2.735,400 1.086,401 0.103,402 0.126,404 0.233,405 0.101,406 1.092,407 0.2,408 2,409 0.693,410 -0.261,411 -0.327,413 -0.56,414 -0.244,415 0.708,416 -0.089,417 2,418 0.349,419 -0.667,420 -0.846,422 -1.605,423 -0.668,424 0.617,425 -0.693,426 2,427 0.157,428 -0.852,429 -1.245,431 -2.015,432 -0.863,433 0.5,434 -0.975,435 1.668,437 -1,438 -1.5,440 -3,441 -1,442 -0.047,443 -1,444 1.431,445 -0.323,446 -1.326,447 -1.696,449 -3.13,450 -1.323,451 -0.107,452 -1.224,453 1.124,454 -0.482,455 -1.414,456 -1.889,458 -3.459,459 -1.326,460 -0.32,461 -1.454,462 1.047,463 -0.626,464 -1.636,465 -2.2,467 -4.578,468 -1.657,469 8.067,470 0.475,471 0.421,472 0.025,473 24.5,474 1.441,475 14.5,476 0.853,477 10,478 0.588,479 9.211,480 0.542,481 17.733,482 0.591,483 15.785,484 0.929,485 5.096,486 0.3,487 3.069,488 0.181,489 0.145,491 0.31,496 0.822,497 0.999,498 0.81,499 0.893,500 0.76,501 0.852,502 0.522,503 1.148,504 0.792,505 1.071,506 0.554,507 0.994,508 1.021,509 1.292,510 1.039,511 1.21,512 0.972,513 1.138,514 1.054,515 1.092,516 1.01,517 1.047,518 1.036,519 1.021,520 1.677,521 0.747,522 1.019,523 0.689,524 1.754,525 0.732,526 1.347,527 0.795,528 1.112,529 0.866,530 1.323,531 0.922,532 0.877,533 1.043,534 1.038,535 1.15,536 0.833,537 1.134,538 1.225,539 0.906,540 1.242,541 1.021,542 1.365,543 1.127,544 3.5,545 0.012,546 2,547 1.125,548 0.804,549 0.438,550 0.203,551 0.127,552 0.127,553 0.03,554 2314,555 6437,556 1.994,557 43.3,558 3,559 8,562 2,567 1.567,568 1.855,569 2.977,570 0.353,572 1,573 1,574 1,575 43.798,576 1.46,577 3.148,578 3.748,579 4.415,580 4.482,581 4.482,582 2.44,583 3.852,584 4.062,585 3.067,586 417.119,587 6.855,588 3784.11,590 1,592 1,593 147.207,594 1.447,595 4.01,596 0.194,597 0.012,598 0.083,599 0.049,600 0.045,601 0.029,602 0.015,603 0.011,604 0.018,605 0.007,606 0.464,607 0.83,608 1,609 0.682,610 70.651,611 -0.101,612 0.075,613 -0.01,614 0.093,615 -0.131,616 0.064,617 0.134,618 -0.115,619 0.045,620 -0.087,621 0.057,622 -0.05,623 -0.071,624 -0.284,625 -0.123,626 -0.259,627 -0.057,628 -0.209,629 0.192,630 -0.111,631 0.017,632 -0.119,633 0.2,634 -0.087,635 -0.237,636 0.218,637 0.054,638 0.245,639 -0.185,640 0.208,641 -0.23,642 0.227,643 -0.165,644 0.083,645 -0.169,647 -0.045,648 -0.128,649 -0.107,650 -0.151,651 -0.021,652 -0.142,653 -0.188,654 -0.023,655 -0.233,656 -0.035,657 -0.24,658 -0.127,659 1.98,660 4.849,661 0.706,662 10.173,663 1.002,664 1.114,665 3.319,666 11.016,667 0.683,668 2.944,669 3.219,670 3.401,671 3.555,672 3.689,673 3.497,674 3.466,675 3.434,676 3.401,677 3.219,678 4.656,679 0.654,680 227.28,681 2.944,682 4.443,683 5.252,684 6.094,685 6.919,686 7.762,687 8.592,688 9.436,689 10.269,690 11.113,691 3.3,698 1,709 8,714 4,716 12,723 1,734 1,738 30,739 13,740 2,741 18,743 31,744 14,745 12,746 4,747 8,748 1,752 2,753 2,759 1,768 13,769 1,772 1,778 1,782 1,786 1,789 13,790 3,791 2,792 3,797 1,803 1,804 2,823 2,855 2,859 1,862 17,868 1,871 1,886 6.7,888 1,889 1,893 9.167,894 5.533,895 3.806,896 1.647,898 2.174,899 1.371,900 0.942,901 3.331,902 8.032,903 3.258,904 3.829,905 4.331,906 4.814,907 5.272,908 5.121,909 5.286,910 5.466,911 5.677,912 5.901,913 1,914 23,915 6.257,917 2.602,918 7.961,919 11.656,921 9.123,924 2.461,925 41.833,926 0.001,929 129.482,930 98.468,931 18.011,933 67.828,936 98.468,937 197.31,938 18.011,939 8.825,940 18.011,941 75.81,942 72.533,943 9.128,945 129.482,947 129.482,948 116.478,949 67.828,952 129.482,953 67.828,956 26.836,957 89.643,960 129.482,961 85.839,962 98.468,965 129.482,966 13.833,967 84.635,968 18.011,969 67.828,970 129.482,971 85.839,972 98.468,973 0.576,974 0.328,975 0.165,976 0.086,977 11,978 5,979 0.065,980 2,982 1,983 2.951,984 110.953,986 12,987 65.487,993 11.522,994 4.914,995 2.783,997 85.839,998 13.95,1003 2.097,1005 60.694,1006 313.789,1007 25,1013 11.849,1017 -0.313,1020 30.058,1021 33.408,1022 0.298,1023 0.642,1024 0.764,1025 0.9,1026 0.913,1027 0.913,1028 4.443,1029 0.103,1030 5.22,1031 2.275,1032 3.892,1033 4.511,1034 1.176,1035 5.958,1036 3.867,1037 5.644,1038 -0.261,1039 6.742,1040 0.233,1041 3.434,1042 4.205,1044 6.742,1045 3.39,1046 6.93,1047 -0.667,1048 8.363,1049 -0.56,1050 5.416,1051 6.652,1052 1.255,1053 9.788,1054 5.364,1055 8.25,1056 -0.852,1057 10.042,1058 -1.605,1059 5.74,1060 7.103,1062 11.404,1063 5.67,1064 9.598,1065 -1,1066 11.76,1067 -2.015,1068 7.213,1069 9.044,1070 1.338,1071 13.969,1072 7.136,1073 10.966,1074 -1.326,1075 13.506,1076 -3,1077 7.912,1078 9.873,1080 15.943,1081 7.819,1082 12.349,1083 -1.414,1084 15.272,1085 -3.13,1086 9.163,1087 11.566,1088 1.422,1089 18.33,1090 9.063,1091 2.971,1092 -1.636,1093 17.054,1094 -3.459,1095 10.05,1096 12.605,1098 20.466,1099 9.935,1100 2.598,1101 9.673,1102 18.85,1103 -4.578,1104 11.201,1105 14.159,1106 1.51,1107 22.782,1108 11.077,1109 2.158,1110 7.25,1111 20.656,1112 3.926,1113 12.182,1114 15.322,1116 24.99,1117 12.046,1118 1.812,1119 5.842,1120 22.471,1121 3.61,1122 13.289,1123 16.796,1124 1.599,1125 27.278,1126 13.143,1127 1.414,1128 4.88,1129 24.292,1130 2.805,1131 14.318,1132 18.033,1134 29.518,1135 14.16,1136 1.032,1137 3.058,1138 26.12,1139 2.472,1140 15.407,1141 19.459,1142 1.69,1143 31.795,1144 15.239,1145 1,1146 2.554,1147 27.952,1148 2.015,1149 16.461,1150 20.742,1152 34.05,1153 16.281,1154 2359,1155 4022,1156 11.731,1157 20.483,1158 26.539,1159 27.273,1160 27.393,1161 26.213,1162 26.177,1163 35.915,1164 2.117,1165 71.53,1166 25.853,1167 5.148,1168 5.603,1169 6.08,1170 4.962,1171 4.971,1172 6.926,1173 2.117,1174 16.292,1175 4.937,1176 8.228,1177 1.474,1178 1.515,1179 1.522,1180 1.456,1181 1.454,1182 1.995,1183 0.118,1184 3.974,1185 1.436,1186 3.971,1187 3.998,1188 3.918,1189 3.889,1190 7.429,1191 3.891,1192 3.868,1193 3.893,1194 3.805,1195 3.808,1196 6.468,1197 3.804,1198 3.36,1199 3.411,1200 3.282,1201 3.155,1202 4.76,1203 3.176,1204 3.087,1205 3.148,1206 2.928,1207 2.925,1208 4.605,1209 2.92,1210 2.937,1211 2.972,1212 2.814,1213 2.746,1214 4.015,1215 2.75,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.675,1223 2.758,1224 2.495,1225 2.432,1226 3.636,1227 2.439,1228 2.43,1229 2.486,1230 2.219,1231 2.164,1232 3.495,1233 2.171,1234 0.24,1235 0.2,1236 0.355,1237 0.22,1238 0.165,1239 4.324,1240 0.218,1241 3.603,1242 0.059,1243 6.395,1244 0.537,1245 3.962,1246 0.163,1247 2.971,1248 3.926,1249 1.058,1250 9.673,1251 2.937,1252 1.931,1253 1.906,1254 2.044,1255 2.035,1256 1.135,1257 2.036,1258 1.869,1259 1.846,1260 1.982,1261 1.955,1262 1.056,1263 1.966,1264 1.293,1265 1.238,1266 1.556,1267 1.534,1268 0.62,1269 1.534,1270 1.069,1271 1.019,1272 1.279,1273 1.301,1274 0.283,1275 1.31,1276 0.886,1277 0.839,1278 1.181,1279 1.145,1280 0.218,1281 1.132,1282 0.883,1283 0.821,1284 1.14,1285 1.062,1286 0.151,1287 1.107,1288 0.64,1289 0.559,1290 0.945,1291 0.925,1293 0.945,1294 0.359,1295 0.305,1296 0.695,1297 0.688,1299 0.687,1300 3.611,1302 4.89,1304 6.368,1306 7.931,1308 9.531,1310 1.981,1314 9.542,1317 2.727,1326 19.612,1327 43.798,1328 94.452,1329 112.452,1330 132.452,1331 134.452,1332 134.452,1333 28.188,1334 5.858,1335 49.33,1336 49.33,1337 12,1338 11.678,1339 3.807,1340 3,1341 28.495,1342 47,1343 46,1344 0.304,1345 124.571,1346 214.34,1347 295.714,1348 2132,1350 12.251,1351 0.721,1352 0.557,1353 12.251,1354 9.474,1355 8.165,1356 0.454,1357 0.296,1358 5.281,1359 7.967,1360 5.11,1361 4.303,1362 8.165,1363 5.326,1364 7.264,1365 0.303,1366 0.16,1367 7.264,1368 3.837,1369 5.749,1370 0.198,1371 0.085,1372 5.749,1373 2.458,1374 4.456,1375 0.131,1376 0.044,1377 4.456,1378 1.501,1379 3.374,1380 0.087,1381 0.025,1382 3.374,1383 0.989,1384 0.467,1385 50.551,1386 0.292,1387 17.218,1388 0.852,1389 84,1390 252.218,1391 90.372,1392 248.897,1393 332.48,1394 230,1395 95,1396 237.92,1397 100.985,1398 244.392,1399 350.07,1400 229,1401 4.45}
{0 CHEMBL1380678,1 1.596,2 11.393,3 4.843,4 23.454,5 111.524,6 10.03,7 0.742,8 3.873,9 3.973,10 3.704,11 3.552,12 5.093,13 3.527,14 4.313,15 4.435,16 4.087,17 3.913,18 5.53,19 3.869,20 4.553,21 4.724,22 4.148,23 4.011,24 5.745,25 3.942,26 4.512,27 4.694,28 3.97,29 3.891,30 5.694,31 3.83,32 4.476,33 4.664,34 3.951,35 3.819,36 5.724,37 3.785,38 4.439,39 4.612,40 4.048,41 3.829,42 5.725,43 3.783,44 4.443,45 4.619,46 3.971,47 3.834,48 5.672,49 3.761,50 4.396,51 4.595,52 3.975,53 3.778,54 5.537,55 3.68,56 0.049,57 0.583,58 4.058,59 3.194,60 6.149,61 3.747,62 0.105,63 0.905,64 7.588,65 5.21,66 14.155,67 6.042,68 0.238,69 1.155,70 22.743,71 7.796,72 33.045,73 8.851,74 0.202,75 1.124,76 21.924,77 7.378,78 28.82,79 8.255,80 0.275,81 1.106,82 14.427,83 6.496,84 38.985,85 7.286,86 0.267,87 1.032,88 14.4,89 6.351,90 36.657,91 7.076,92 0.216,93 0.992,94 18.684,95 7.122,96 37.407,97 7.718,98 0.223,99 0.957,100 16.695,101 6.978,102 37.717,103 7.836,104 5,105 42,106 0.271,107 0.517,108 0.716,109 0.87,110 0.889,111 0.889,112 3.375,113 0.91,114 -4.9,115 -4.81,116 -4.51,118 1,120 51.2,143 12,144 3,145 1,146 1,147 3,156 1,159 1,170 1,174 12,177 7,180 1,182 1,185 14,188 2,189 10,194 2,197 12,201 7,204 1,206 2,209 10,213 1,214 5,217 1,219 4,222 9,226 2,227 9,232 4,235 11,240 8,245 2,247 10,252 4,260 8,263 1,264 5,269 1,271 8,274 1392,275 19.275,276 19.275,277 19.275,278 19.275,279 19.275,280 16.278,281 6.399,282 11.645,283 19.6,284 15.336,285 15.336,286 15.336,287 15.336,288 15.336,289 10.895,290 3.593,291 5.578,292 15.909,293 3.83,294 2.38,295 1.204,296 0.297,297 0.186,298 0.186,299 4.076,306 1,307 1,308 696,309 3.082,313 318.32,317 124.414,320 1.707,321 20.897,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 58.75,333 319,334 4.604,335 3.593,336 6.704,337 4.163,338 3.173,339 4.526,340 0.98,341 10.884,342 3.143,343 4.133,344 3.009,345 6.098,346 3.734,347 2.75,348 3.756,350 8.885,351 2.703,352 3.949,353 2.868,354 5.664,355 3.496,356 2.529,357 3.511,359 7.409,360 2.445,361 3.807,362 2.601,363 5.339,364 3.395,365 2.403,366 3.227,368 6.96,369 2.374,370 3.654,371 2.571,372 5.045,373 3.154,374 2.268,375 3.084,377 6.091,378 1.931,379 3.14,380 1.86,381 4.554,382 2.642,383 1.663,384 2.344,386 4.459,387 1.624,388 3.036,389 1.806,390 4.36,391 2.515,392 1.554,393 2.285,395 4.139,396 1.471,397 2.964,398 1.612,399 3.718,400 2.471,401 1.477,402 2.12,404 3.197,405 1.458,406 2.786,407 1.334,408 3.625,409 2.277,410 1.3,411 1.921,413 2.957,414 1.236,415 2.569,416 1.309,417 3.55,418 2.008,419 1.028,420 1.5,422 2.396,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.247,436 1.958,437 1,438 1.475,440 2.136,441 0.955,442 2.237,443 0.918,444 3.158,445 1.675,446 0.681,447 1.036,449 1.644,450 0.669,451 1.265,452 0.492,453 2.736,454 0.869,455 -0.089,456 -0.115,458 -0.21,459 -0.064,460 1.205,461 0.338,462 2.608,463 0.777,464 -0.147,465 -0.184,467 -0.332,468 -0.131,469 14.267,470 0.51,471 0.554,472 0.02,473 42.25,474 1.509,475 25,476 0.893,477 17.25,478 0.616,479 19.252,480 0.688,481 26.533,482 0.617,483 29.985,484 1.071,485 8.428,486 0.301,487 5.275,488 0.188,489 0.117,491 0.28,496 0.61,497 0.962,498 0.473,499 0.715,500 0.586,501 0.736,502 0.719,503 1.145,504 0.606,505 0.867,506 0.661,507 0.916,508 0.975,509 1.033,510 0.975,511 0.983,512 0.901,513 0.974,514 1.21,515 1.153,516 0.852,517 1.04,518 1.187,519 1.036,520 1.37,521 1.02,522 0.386,523 0.741,524 1.504,525 0.831,526 1.275,527 1.02,528 0.58,529 0.873,530 1.424,531 0.924,532 1.532,533 1.007,534 0.854,535 0.944,536 1.769,537 0.99,538 1.385,539 0.914,540 0.813,541 0.82,542 1.593,543 0.923,544 4.5,545 0.095,546 2.889,547 1.313,548 1.4,549 1.028,550 0.545,551 0.311,552 0.316,553 0.161,554 10185,555 31004,556 2.137,557 34.9,559 12,561 2,562 1,567 1.713,568 2.049,569 3.453,570 -0.358,575 68.619,576 1.596,577 3.047,578 4.222,579 5.13,580 5.24,581 5.24,582 2.937,583 4.379,584 4.774,585 3.617,586 1367.4,587 8.318,588 18133.5,590 1,593 233.329,594 1.198,595 4.76,596 0.145,597 0.004,598 0.069,599 0.031,600 0.037,601 0.027,602 0.015,603 0.009,604 0.011,605 0.006,606 0.353,607 0.17,608 1,609 0.444,610 140.701,611 0.037,612 0.042,613 0.002,614 0.019,615 -0.06,616 0.024,617 0.035,618 -0.139,619 -0.008,620 -0.079,621 -0.006,622 -0.111,623 0.004,624 -0.026,625 -0.069,626 -0.055,627 0.034,628 -0.052,629 -0.104,630 -0.128,631 -0.086,632 -0.142,633 -0.068,634 -0.114,635 -0.044,636 0.046,637 0.027,638 0.069,639 -0.031,640 0.057,641 0.022,642 0.007,643 0.03,644 -0.017,645 0.058,646 -0.034,647 -0.227,648 -0.042,649 -0.039,650 -0.004,651 -0.155,652 -0.043,653 -0.205,654 0.057,655 0.044,656 0.153,657 -0.221,658 0.073,659 1.968,660 5.806,661 0.786,662 28.531,663 1.006,664 1.105,665 3.669,666 13.458,667 0.753,668 3.466,669 3.761,670 4.025,671 4.277,672 4.554,673 4.595,674 4.727,675 4.844,676 4.963,677 4.956,678 6.637,679 0.721,680 431.31,681 3.466,682 4.99,683 5.832,684 6.696,685 7.557,686 8.431,687 9.302,688 10.181,689 11.059,690 11.943,691 9.3,698 1,700 1,701 2,708 2,709 13,710 2,714 5,716 23,737 1,738 43,739 25,740 2,741 31,742 1,743 46,744 22,745 20,746 4,747 8,748 2,752 4,753 5,755 1,768 22,772 2,778 1,780 1,781 1,782 1,789 15,790 5,791 1,792 6,793 1,797 4,803 0.75,804 1,816 2,823 4,827 1,855 3,858 1,862 28,871 1,885 1,886 2.3,889 1,893 13.667,894 7.826,895 6.194,896 2.445,898 4.619,899 1.613,900 1.028,901 5.339,902 12.152,903 3.818,904 4.437,905 5.063,906 5.678,907 6.3,908 6.593,909 7.071,910 7.505,911 7.952,912 8.204,913 0.875,914 43,915 10.281,917 4.34,918 7.735,919 19.442,921 15.65,924 2.235,925 62.583,928 1,929 164.795,930 156.171,931 114.076,933 25.145,936 202.125,937 189.94,938 68.122,940 17.888,941 113.715,942 96.01,943 45.367,945 141.253,946 45.954,947 164.795,948 224.294,949 25.145,951 45.954,952 164.795,953 25.145,956 51.256,957 130.419,958 42.618,959 45.954,960 164.795,961 93.267,962 202.125,965 164.795,966 24.362,967 131.81,968 63.842,969 75.379,970 164.795,971 93.267,972 202.125,973 0.573,974 0.331,975 0.179,976 0.104,977 20,978 8,979 0.087,980 4,981 1,982 1.091,983 4.053,984 241.701,985 0.091,986 22,987 130.606,993 18.182,994 8.222,995 4.226,996 1.524,997 93.267,998 24.329,999 8.847,1003 3.823,1005 17.888,1006 460.188,1007 44.5,1013 12.806,1015 1.511,1016 4.025,1017 -0.302,1020 43.265,1021 47.535,1022 0.294,1023 0.561,1024 0.778,1025 0.945,1026 0.966,1027 0.966,1028 5.016,1029 1.477,1030 5.79,1031 4.139,1032 4.443,1033 5.124,1034 1.072,1035 6.567,1036 4.38,1037 6.226,1038 1.3,1039 7.322,1040 3.197,1041 3.892,1042 4.796,1044 7.402,1045 3.772,1046 7.522,1047 1.028,1048 8.957,1049 2.957,1050 5.994,1051 7.357,1052 1.045,1053 10.517,1054 5.89,1055 8.856,1056 1,1057 10.656,1058 2.396,1059 6.293,1060 7.897,1062 12.232,1063 6.163,1064 10.223,1065 1,1066 12.399,1067 2.275,1068 7.83,1069 9.88,1070 1.019,1071 14.856,1072 7.703,1073 11.614,1074 0.681,1075 14.171,1076 2.136,1077 8.545,1078 10.869,1080 16.941,1081 8.41,1082 13.026,1083 -0.089,1084 15.965,1085 1.644,1086 9.837,1087 12.585,1088 0.993,1089 19.399,1090 9.699,1091 3.173,1092 -0.147,1093 17.777,1094 -0.21,1095 10.763,1096 13.819,1098 21.647,1099 10.622,1100 2.75,1101 10.884,1102 19.602,1103 -0.332,1104 11.952,1105 15.41,1106 0.967,1107 24.049,1108 11.806,1109 2.529,1110 8.885,1111 21.438,1112 4.526,1113 12.984,1114 16.775,1116 26.37,1117 12.837,1118 2.403,1119 7.409,1120 23.282,1121 3.756,1122 14.135,1123 18.311,1124 0.942,1125 28.754,1126 13.981,1127 2.268,1128 6.96,1129 25.135,1130 3.511,1131 15.221,1132 19.744,1134 31.108,1135 15.064,1136 1.663,1137 6.091,1138 26.993,1139 3.227,1140 16.36,1141 21.258,1142 0.917,1143 33.489,1144 16.196,1145 1.554,1146 4.459,1147 28.857,1148 3.084,1149 17.474,1150 22.727,1152 35.858,1153 17.305,1154 9602,1155 16894,1156 21.266,1157 32.398,1158 46.435,1159 47.607,1160 46.553,1161 45.901,1162 45.653,1163 64.569,1164 1.96,1165 126.865,1166 44.017,1167 5.395,1168 5.593,1169 6.506,1170 5.206,1171 5.173,1172 7.526,1173 1.96,1174 18.036,1175 5.143,1176 9.647,1177 1.498,1178 1.536,1179 1.502,1180 1.481,1181 1.473,1182 2.083,1183 0.063,1184 4.092,1185 1.42,1186 4.105,1187 4.128,1188 6.88,1189 4.043,1190 7.429,1191 4.046,1192 3.874,1193 3.919,1194 4.068,1195 3.833,1196 4.996,1197 3.813,1198 3.858,1199 3.88,1200 3.817,1201 3.762,1202 4.94,1203 3.769,1204 3.54,1205 3.584,1206 3.719,1207 3.405,1208 4.711,1209 3.408,1210 3.34,1211 3.398,1212 3.479,1213 3.148,1214 4.568,1215 3.171,1216 3.112,1217 3.147,1218 3.233,1219 2.992,1220 4.324,1221 2.988,1222 2.87,1223 2.929,1224 3.029,1225 2.778,1226 3.892,1227 2.745,1228 2.854,1229 2.925,1230 2.752,1231 2.735,1232 3.829,1233 2.715,1234 0.149,1235 0.116,1236 0.216,1237 0.134,1238 0.102,1239 4.604,1240 0.146,1241 3.593,1242 0.032,1243 6.704,1244 0.351,1245 4.163,1246 0.101,1247 3.173,1248 4.526,1249 0.98,1250 10.884,1251 3.143,1252 2.062,1253 2.043,1254 2.124,1255 2.14,1256 1.252,1257 2.137,1258 1.862,1259 1.841,1260 1.951,1261 1.972,1262 1.067,1263 1.968,1264 1.835,1265 1.796,1266 1.943,1267 1.917,1268 0.954,1269 1.937,1270 1.481,1271 1.45,1272 1.603,1273 1.679,1274 0.667,1275 1.649,1276 1.261,1277 1.201,1278 1.412,1279 1.474,1280 0.369,1281 1.472,1282 1.056,1283 1.023,1284 1.206,1285 1.235,1286 0.269,1287 1.224,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.856,1295 0.805,1296 1.108,1297 1.054,1298 0.145,1299 1.079,1300 4.143,1302 5.442,1304 6.948,1306 8.547,1308 10.197,1309 3.438,1317 2.583,1326 30.986,1327 68.619,1328 131.007,1329 181.555,1330 220.574,1331 225.329,1332 225.329,1333 40.65,1334 7.533,1335 67.24,1336 67.24,1337 24,1338 12.478,1339 4.7,1340 3.858,1341 42.329,1342 106,1343 124,1344 0.186,1345 197.259,1346 333.87,1347 473.073,1348 19765,1349 2.3,1350 19.347,1351 0.691,1352 0.582,1353 20.347,1354 16.297,1355 13.704,1356 0.442,1357 0.303,1358 8.579,1359 12.792,1360 8.354,1361 6.937,1362 14.281,1363 9.4,1364 12.036,1365 0.287,1366 0.165,1367 12.852,1368 6.949,1369 10.153,1370 0.185,1371 0.085,1372 10.73,1373 4.68,1374 8.317,1375 0.117,1376 0.043,1377 8.65,1378 3.066,1379 7.107,1380 0.076,1381 0.024,1382 7.536,1383 2.219,1384 0.291,1385 92.986,1386 0.217,1387 26.838,1388 0.511,1389 146,1390 425.658,1391 220.968,1392 460.572,1393 624.47,1394 430,1395 170,1396 437.751,1397 207.751,1398 460.139,1399 666.69,1400 434,1401 5.314}
{0 CHEMBL1380746,1 1.703,2 7.857,3 2.596,4 6.737,5 77.775,6 8.793,7 0.5,8 3.66,9 3.746,10 3.327,11 3.222,12 4.951,13 3.216,14 4.131,15 4.255,16 3.768,17 3.617,18 5.501,19 3.598,20 4.453,21 4.586,22 3.946,23 3.793,24 5.845,25 3.767,26 4.626,27 4.803,28 3.901,29 3.725,30 6.085,31 3.689,32 4.385,33 4.545,34 3.802,35 3.513,36 6.008,37 3.484,38 4.126,39 4.28,40 3.421,41 3.367,42 5.471,43 3.318,44 4.198,45 4.368,46 3.477,47 3.315,48 5.716,49 3.261,50 4.038,51 4.229,52 3.218,53 3.162,54 5.416,55 3.044,56 0.142,57 0.449,58 5.515,59 3.196,60 20.957,61 3.461,62 0.298,63 0.71,64 10.506,65 5.303,66 55.219,67 6.351,68 0.437,69 0.928,70 16.317,71 6.93,72 50.796,73 7.852,74 0.905,75 0.946,76 26.036,77 8.294,78 152.57,79 9.052,80 0.867,81 0.732,82 22.906,83 6.519,84 152.186,85 7.182,86 0.33,87 0.619,88 15.122,89 5.353,90 47.232,91 6.111,92 0.636,93 0.616,94 15.874,95 5.395,96 110.938,97 5.967,98 0.523,99 0.493,100 21.527,101 5.307,102 73.774,103 6.171,104 54,105 33,106 0.313,107 0.687,108 0.758,109 0.819,110 0.84,111 0.85,112 3.104,113 0.897,114 -4.27,115 -4.21,116 -3.97,120 42.9,121 2,131 1,143 5,144 3,145 2,159 2,168 1,172 1,174 7,177 1,180 2,182 5,183 1,185 11,186 2,189 3,192 1,193 1,194 6,197 10,201 3,202 1,204 1,205 1,206 3,209 8,210 1,213 1,214 4,217 1,219 6,222 5,223 1,227 3,232 5,233 1,235 2,236 1,240 2,243 1,244 1,245 2,247 6,248 3,252 3,257 3,260 4,261 2,264 2,269 2,271 2,272 1,274 532,275 13.146,276 13.146,277 13.146,278 13.146,279 13.146,280 11.501,281 11.319,282 7.355,283 13.321,284 10.762,285 10.762,286 10.762,287 10.762,288 10.762,289 8.265,290 10.735,291 3.398,292 11.098,293 3.426,294 1.392,295 1.003,296 0.672,297 0.557,298 0.5,299 3.749,303 1,305 1,306 1,307 1,308 334,309 3.937,313 108.835,317 93.067,320 1.211,321 36.946,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46.833,333 165,334 4.665,335 4.045,336 7.229,337 4.346,338 3.368,339 4.605,340 2.375,341 12.082,342 3.284,343 4.427,344 3.597,345 6.817,346 4.179,347 3.202,348 3.612,349 1.061,350 11.159,351 3.119,352 3.967,353 3.235,354 6.128,355 3.582,356 2.586,357 3.399,358 0.14,359 8.7,360 2.572,361 3.561,362 2.677,363 5.444,364 3.076,365 2.156,366 2.976,368 6.566,369 1.932,370 3.154,371 2.576,372 4.701,373 2.686,374 1.701,375 2.36,377 4.47,378 1.647,379 2.832,380 2.128,381 4.179,382 2.383,383 1.384,384 1.903,386 3.191,387 1.362,388 2.678,389 1.397,390 3.72,391 2.206,392 1.199,393 1.616,395 2.831,396 1.189,397 2.457,398 1.193,399 3.637,400 1.966,401 1,402 1.427,404 2.481,405 0.939,406 1.632,407 0.95,408 3.223,409 1.209,410 0.339,411 0.408,413 0.851,414 0.265,415 0.976,416 0.547,417 2.759,418 0.559,419 -0.433,420 -0.516,422 -1.217,423 -0.41,424 0.857,425 0.358,426 2.531,427 0.474,428 -0.536,429 -0.757,431 -1.339,432 -0.481,433 0.58,434 -0.152,435 2,436 0.106,437 -0.826,438 -1,440 -2,441 -0.639,442 0.449,443 -0.453,444 2,446 -0.888,447 -1.03,449 -2.024,450 -0.863,451 0.414,452 -0.818,453 2,455 -1,456 -1.286,458 -2.127,459 -0.961,461 -0.96,462 1.833,463 -0.029,464 -1,465 -1.287,467 -3,468 -1,469 9.948,470 0.474,471 0.849,472 0.04,473 26.25,474 1.25,475 13.5,476 0.643,477 12.75,478 0.607,479 16.995,480 0.809,481 23.052,482 0.659,483 20.708,484 0.986,485 5.278,486 0.251,487 4.459,488 0.212,489 0.306,490 0.05,491 0.352,496 0.804,497 1.039,498 0.623,499 0.831,500 0.779,501 0.806,502 0.46,503 1.1,504 0.535,505 0.859,506 0.471,507 0.801,508 0.889,509 1.189,510 0.912,511 1.103,512 0.846,513 1.076,514 1.402,515 0.865,516 1.008,517 0.789,518 1.448,519 0.861,520 1.106,521 0.871,522 1.114,523 0.968,524 1.197,525 0.933,526 1.058,527 1.278,528 1.222,529 1.319,530 0.993,531 1.227,532 1.234,533 0.934,534 0.981,535 0.845,536 1.196,537 0.97,538 1.039,539 0.89,540 1.88,541 1.415,542 0.935,543 1.288,544 6,545 0.025,546 3.778,547 2.063,548 1.738,549 0.861,550 0.471,551 0.405,552 0.181,553 0.076,554 3516,555 13549,556 1.878,557 40,559 5,562 3,564 6,567 1.636,568 1.669,569 2.973,570 1.109,572 1,574 1,575 59.619,576 1.703,577 3.737,578 4.126,579 4.458,580 4.572,581 4.629,582 2.453,583 3.916,584 4.367,585 3.099,586 650.804,587 7.504,588 6723.14,589 1,590 1,592 1,593 179.525,594 1.782,595 4.248,596 0.273,597 0.012,598 0.114,599 0.057,600 0.056,601 0.033,602 0.022,603 0.021,604 0.014,605 0.011,606 0.614,607 0.33,608 1,609 1.574,610 93.007,611 -0.128,612 0.106,613 -0.03,614 0.126,615 -0.145,616 0.084,617 0.179,618 0.004,619 0.156,620 0.105,621 0.153,622 0.14,623 -0.053,624 -0.099,625 -0.084,626 -0.161,627 -0.044,628 -0.169,629 -0.182,630 0.069,631 -0.006,632 0.162,633 -0.181,634 0.085,635 0.117,636 0.063,637 0.042,638 0.014,639 0.095,640 0.016,641 -0.149,642 -0.297,643 -0.227,644 -0.335,645 -0.101,646 -0.265,647 -0.043,648 0.004,649 -0.014,650 0.105,651 -0.012,652 -0.027,653 -0.01,654 -0.025,655 -0.31,656 -0.329,657 -0.012,658 -0.236,659 2.845,660 5.188,661 0.476,662 13.714,663 1.026,664 1.12,665 3.041,666 9.248,667 0.686,668 3.135,669 3.526,670 3.761,671 3.932,672 4.143,673 4.143,674 4.205,675 4.174,676 4.205,677 3.892,678 4.835,679 0.668,680 307.75,681 3.135,682 4.71,683 5.565,684 6.466,685 7.345,686 8.246,687 9.133,688 10.034,689 10.925,690 11.826,691 2.9,698 1,708 2,709 5,714 3,716 11,723 1,734 1,737 1,738 35,739 13,740 2,741 22,743 36,744 15,745 10,746 5,747 5,748 1,752 2,753 3,754 1,759 2,768 12,769 3,770 1,772 2,778 2,782 2,785 1,786 1,789 14,790 5,791 3,792 6,793 1,797 1,803 0.5,804 4,823 2,827 1,840 1,853 1,855 1,859 2,860 1,862 21,868 2,871 1,876 1,885 1,886 11.4,888 2,889 2,893 12.583,894 6.793,895 4.514,896 1.886,898 2.479,899 1.386,900 0.887,901 4.12,902 8.905,903 3.418,904 4.069,905 4.656,906 5.219,907 5.806,908 6.105,909 6.478,910 6.75,911 7.087,912 6.851,913 1,914 36,915 7.814,917 3.482,918 8.335,919 13.964,921 11.304,924 2.835,925 59.528,929 129.482,930 82.478,931 18.011,932 39.149,933 135.657,936 82.478,937 304.287,938 18.011,939 17.65,940 18.011,941 47.381,942 141.271,943 11.832,945 129.482,946 39.149,947 129.482,948 100.489,949 135.657,950 39.149,952 58.856,953 206.283,956 35.661,957 64.828,958 39.149,960 129.482,961 153.667,962 121.627,965 129.482,966 17.447,967 65.032,968 18.011,969 174.805,970 129.482,971 153.667,972 121.627,973 0.609,974 0.362,975 0.167,976 0.09,977 16,978 9,979 0.083,980 3,981 1,982 1.2,983 3.054,984 160.559,985 0.2,986 10,987 90.239,993 15.607,994 5.544,995 2.964,996 1.05,997 153.667,998 8.157,1003 0.017,1005 103.377,1006 404.776,1007 29.5,1013 23.237,1017 -1.88,1020 35.92,1021 39.186,1022 0.332,1023 0.729,1024 0.804,1025 0.869,1026 0.891,1027 0.902,1028 4.689,1029 1,1030 5.645,1031 2.831,1032 4.205,1033 4.754,1034 2.513,1035 6.558,1036 4.145,1037 5.966,1038 0.339,1039 7.298,1040 2.481,1041 4.205,1042 4.868,1043 2.243,1044 7.89,1045 4.105,1046 7.332,1047 -0.433,1048 9.062,1049 0.851,1050 5.969,1051 7.059,1052 3.759,1053 10.915,1054 5.865,1055 8.732,1056 -0.536,1057 10.889,1058 -1.217,1059 6.711,1060 7.923,1061 4.173,1062 12.97,1063 6.57,1064 10.161,1065 -0.826,1066 12.752,1067 -1.339,1068 8.078,1069 9.695,1070 5.307,1071 15.608,1072 7.929,1073 11.61,1074 -0.888,1075 14.639,1076 -2,1077 9.099,1078 10.9,1079 5.987,1080 17.916,1081 8.918,1082 13.075,1083 -1,1084 16.543,1085 -2.024,1086 10.344,1087 12.515,1088 6.97,1089 20.439,1090 10.146,1091 3.368,1092 -1,1093 18.459,1094 -2.127,1095 11.47,1096 13.885,1097 7.754,1098 22.842,1099 11.243,1100 3.202,1101 12.082,1102 20.383,1103 -3,1104 12.677,1105 15.439,1106 8.672,1107 25.328,1108 12.429,1109 2.586,1110 11.159,1111 22.315,1112 4.605,1113 13.844,1114 16.888,1115 9.501,1116 27.77,1117 13.568,1118 2.156,1119 8.7,1120 24.252,1121 3.612,1122 15.041,1123 18.42,1124 10.39,1125 30.245,1126 14.741,1127 1.701,1128 6.566,1129 26.193,1130 3.399,1131 16.225,1132 19.909,1133 11.239,1134 32.704,1135 15.898,1136 1.384,1137 4.47,1138 28.138,1139 2.976,1140 17.42,1141 21.434,1142 12.115,1143 35.177,1144 17.069,1145 1.199,1146 3.191,1147 30.086,1148 2.36,1149 18.612,1150 22.942,1151 12.973,1152 37.645,1153 18.234,1154 3696,1155 7316,1156 13.235,1157 24.011,1158 34.61,1159 35.999,1160 36.155,1161 33.921,1162 33.87,1163 44.613,1164 7.152,1165 104.662,1166 32.621,1167 5.539,1168 6.045,1169 6.907,1170 5.346,1171 5.368,1172 7.605,1173 3.989,1174 19.7,1175 5.284,1176 14.248,1177 1.573,1178 1.636,1179 1.643,1180 1.542,1181 1.54,1182 2.028,1183 0.325,1184 4.757,1185 1.483,1186 4.097,1187 4.107,1188 4.141,1189 4.055,1190 7.474,1191 4.054,1192 3.778,1193 3.818,1194 3.708,1195 3.603,1196 7.429,1197 3.619,1198 3.522,1199 3.545,1200 3.557,1201 3.424,1202 6.468,1203 3.423,1204 3.161,1205 3.173,1206 3.409,1207 3.039,1208 6.351,1209 3.039,1210 3.052,1211 3.058,1212 2.998,1213 2.812,1214 4.95,1215 2.842,1216 3.007,1217 3.044,1218 2.851,1219 2.637,1220 4.548,1221 2.697,1222 2.874,1223 3.009,1224 2.671,1225 2.618,1226 4.259,1227 2.57,1228 2.641,1229 2.698,1230 2.499,1231 2.472,1232 3.951,1233 2.46,1234 0.212,1235 0.184,1236 0.329,1237 0.198,1238 0.153,1239 4.665,1240 0.209,1241 4.045,1242 0.108,1243 7.229,1244 0.549,1245 4.346,1246 0.149,1247 3.368,1248 4.605,1249 2.375,1250 12.082,1251 3.284,1252 2.066,1253 2.056,1254 2.119,1255 2.122,1256 1.285,1257 2.124,1258 1.712,1259 1.67,1260 1.908,1261 1.917,1262 1.077,1263 1.911,1264 1.499,1265 1.473,1266 1.63,1267 1.63,1268 0.707,1269 1.631,1270 1.083,1271 1.066,1272 1.417,1273 1.28,1274 0.469,1275 1.308,1276 0.934,1277 0.899,1278 1.226,1279 1.262,1280 0.306,1281 1.256,1282 0.931,1283 0.817,1284 1.142,1285 1.239,1286 0.13,1287 1.208,1288 0.829,1289 0.804,1290 1.004,1291 1.195,1293 1.169,1294 0.608,1295 0.553,1296 0.895,1297 0.892,1299 0.896,1300 3.807,1302 5.176,1304 6.744,1306 8.4,1308 10.103,1310 2.708,1311 6.105,1314 19.242,1317 2.348,1322 -1.457,1326 23.396,1327 59.619,1328 130.796,1329 144.405,1330 156.015,1331 160.015,1332 162.015,1333 64.272,1334 6.426,1335 86.63,1336 86.63,1337 12,1338 12.349,1339 3.807,1340 3.087,1341 39.097,1342 60,1343 53,1344 0.33,1345 150.489,1346 264.43,1347 358.953,1348 4124,1349 2.9,1350 15.784,1351 0.752,1352 0.582,1353 16.284,1354 12.232,1355 9.737,1356 0.443,1357 0.299,1358 6.154,1359 9.113,1360 5.895,1361 4.91,1362 10.026,1363 6.577,1364 9.673,1365 0.293,1366 0.169,1367 10.044,1368 5.592,1369 7.742,1370 0.184,1371 0.083,1372 8.074,1373 3.484,1374 5.651,1375 0.113,1376 0.043,1377 5.994,1378 2.167,1379 4.45,1380 0.072,1381 0.023,1382 4.868,1383 1.452,1384 0.497,1385 64.287,1386 0.275,1387 20.298,1388 0.97,1389 110,1390 382.307,1391 136.652,1392 397.025,1393 509.39,1394 362,1395 130,1396 335.45,1397 152.291,1398 350.778,1399 511.85,1400 327,1401 4.851}
{0 CHEMBL1382558,1 1.669,2 14.645,3 3.072,4 9.438,5 113.204,6 8.244,7 0.5,8 4.057,9 4.16,10 3.705,11 3.569,12 5.276,13 3.583,14 4.573,15 4.716,16 4.062,17 3.947,18 5.869,19 3.947,20 4.837,21 5.025,22 4.105,23 4.066,24 6.072,25 4.033,26 4.87,27 5.062,28 4.007,29 4.046,30 6.092,31 4,32 4.838,33 5.053,34 3.884,35 4.001,36 5.98,37 3.921,38 4.774,39 5.001,40 3.818,41 3.919,42 6.011,43 3.83,44 4.646,45 4.895,46 3.637,47 3.776,48 5.641,49 3.684,50 4.462,51 4.69,52 3.624,53 3.624,54 5.627,55 3.578,56 0.191,57 0.762,58 8.53,59 4.3,60 9.856,61 5.098,62 0.482,63 1.208,64 16.686,65 6.931,66 47.286,67 8.552,68 0.82,69 1.46,70 25.524,71 9.218,72 65.659,73 11.872,74 0.644,75 1.431,76 27.216,77 10.022,78 84.112,79 12.428,80 0.727,81 1.365,82 28.009,83 10.347,84 89.171,85 13.378,86 0.75,87 1.292,88 26.576,89 9.486,90 109.335,91 12.995,92 0.522,93 1.155,94 24.103,95 8.145,96 50.044,97 11.437,98 0.443,99 0.962,100 19.306,101 6.6,102 42.585,103 8.886,104 18,105 47,106 0.276,107 0.554,108 0.649,109 0.766,110 0.814,111 0.814,112 3.471,113 0.861,114 -3.87,115 -3.83,116 -3.63,120 43.1,126 4,143 11,144 1,145 2,153 1,154 1,159 2,167 2,174 9,176 3,177 7,180 1,182 2,185 8,188 4,189 10,192 1,194 3,197 5,201 9,206 1,213 2,214 9,217 2,222 2,226 2,227 6,230 2,235 4,239 1,240 6,247 4,251 1,252 10,255 1,260 6,264 5,271 8,274 1690,275 20.93,276 20.93,277 20.93,278 20.93,279 20.93,280 18.423,281 26.199,282 12.307,283 21.221,284 16.744,285 16.744,286 16.744,287 16.744,288 16.744,289 12.937,290 35.284,291 5.824,292 17.172,293 4.003,294 2.316,295 1.741,296 1.034,297 0.745,298 0.745,299 4.165,306 1,307 1,308 981,309 3.674,312 105.109,313 353.868,320 2.518,321 39.636,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 69,333 454,334 4.363,335 3.787,336 6.395,337 3.969,338 2.998,339 4.061,340 2.612,341 9.688,342 2.928,343 4.245,344 3.695,345 6.179,346 3.943,347 2.952,348 3.721,349 1.2,350 9.14,351 2.917,352 4.141,353 3.565,354 6.135,355 3.788,356 2.825,357 3.698,358 1.058,359 9.015,360 2.713,361 3.949,362 3.105,363 5.785,364 3.54,365 2.571,366 3.376,367 0.8,368 7.769,369 2.484,370 3.654,371 2.537,372 5.305,373 3.291,374 2.313,375 2.94,376 0.293,377 6.731,378 2.253,379 3.484,380 2.351,381 5.228,382 3.132,383 2.169,384 2.756,386 6.349,387 2.083,388 3.132,389 2.295,390 4.408,391 2.633,392 1.643,393 2.299,395 4.292,396 1.622,397 2.96,398 2.113,399 4.145,400 2.489,401 1.484,402 2.071,404 3.602,405 1.485,406 2.654,407 1.593,408 3.864,409 2.302,410 1.329,411 1.681,413 3.216,414 1.288,415 2.5,416 1.427,417 3.515,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1.323,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.418,434 1.146,435 3.414,436 1.967,437 1,438 1.262,440 2.147,441 0.965,442 2.226,443 1,444 3.327,445 1.841,446 0.834,447 1.008,449 2.136,450 0.836,451 2.156,452 1,453 3.253,454 1.758,455 0.725,456 1,458 1.79,459 0.74,460 2,461 1,462 3.247,463 1.649,464 0.649,465 0.97,467 1.591,468 0.648,469 14.267,470 0.46,471 0.75,472 0.024,473 43.75,474 1.411,475 23,476 0.742,477 20.75,478 0.669,479 21.55,480 0.695,481 33.133,482 0.65,483 34.663,484 1.118,485 8.976,486 0.29,487 6.032,488 0.195,489 0.093,491 0.329,496 0.562,497 1.313,498 0.665,499 1.059,500 0.494,501 0.92,502 0.647,503 1.182,504 0.826,505 1.05,506 0.445,507 0.983,508 0.71,509 1.005,510 0.944,511 0.995,512 0.576,513 1.007,514 1.073,515 1.118,516 1.09,517 1.135,518 1.131,519 1.12,520 0.851,521 0.907,522 1.025,523 1.025,524 1.021,525 1.075,526 0.579,527 1.008,528 0.933,529 1.037,530 0.461,531 1.071,532 0.664,533 0.973,534 0.91,535 0.955,536 0.512,537 0.98,538 0.764,539 0.87,540 0.826,541 0.901,542 0.751,543 0.872,544 6,545 0.139,546 4,547 1.813,548 1.576,549 0.84,550 0.552,551 0.467,552 0.31,553 0.147,554 15285,555 49690,556 2.084,557 39.2,559 19,562 1,567 1.729,568 1.958,569 3.82,570 -0.297,571 1,572 1,575 85.138,576 1.669,577 3.357,578 3.931,579 4.638,580 4.927,581 4.927,582 3.3,583 4.349,584 4.923,585 4.014,586 1866.55,587 8.556,588 28449,590 1,592 1,593 289.294,594 1.383,595 4.888,596 0.176,597 0.006,598 0.085,599 0.039,600 0.038,601 0.023,602 0.016,603 0.016,604 0.011,605 0.005,606 0.414,607 0.33,608 1,609 0.701,610 165.759,611 0.086,612 -0.132,613 0.059,614 -0.043,615 -0.006,616 -0.015,617 0.119,618 -0.051,619 -0.001,620 -0.071,621 0.145,622 -0.065,623 0.14,624 0.034,625 -0.007,626 -0.024,627 0.114,628 -0.039,629 -0.149,630 -0.149,631 -0.121,632 -0.142,633 -0.101,634 -0.126,635 0.003,636 0.026,637 -0.026,638 -0.015,639 -0.089,640 -0.035,641 0.189,642 -0.067,643 0.072,644 -0.034,645 0.228,646 -0.018,647 0.025,648 -0.021,649 0.11,650 0.033,651 0.042,652 0.085,653 0.033,654 0.107,655 0.18,656 0.077,657 0.043,658 0.156,659 2.696,660 5.568,661 0.742,662 39.371,663 1.022,664 1.125,665 2.641,666 6.974,667 0.674,668 3.555,669 3.871,670 4.127,671 4.317,672 4.5,673 4.543,674 4.625,675 4.71,676 4.796,677 4.905,678 8.503,679 0.664,680 420.46,681 3.555,682 5.094,683 5.938,684 6.799,685 7.656,686 8.519,687 9.38,688 10.244,689 11.106,690 11.971,691 7.8,697 1,698 2,702 1,709 11,712 1,714 5,716 17,723 1,724 1,731 1,732 1,738 51,739 21,740 2,741 34,743 54,744 22,745 16,746 3,747 9,748 2,752 4,753 4,768 18,769 4,772 4,775 1,778 4,782 2,786 1,788 1,789 20,790 8,791 1,792 9,797 4,803 1,804 5,822 1,823 3,855 4,862 31,869 4,871 1,875 2,886 9.8,889 2,891 1,892 2,893 15.833,894 9.1,895 6.806,896 2.978,898 2.98,899 1.384,900 0.984,901 6.233,902 10.73,903 3.861,904 4.422,905 4.934,906 5.401,907 5.803,908 5.951,909 6.079,910 6.285,911 6.568,912 6.912,913 0.9,914 47,915 11.477,917 4.978,918 8.07,919 21.266,921 17.296,924 2.57,925 79.667,928 1,929 223.651,930 141.239,931 29.929,933 110.544,936 141.239,937 334.195,938 29.929,939 5.67,940 29.558,941 104.239,942 59.699,943 26.351,944 5.449,945 223.651,946 50.747,947 223.651,948 171.168,949 110.544,952 223.651,953 59.797,954 50.747,956 34.578,957 130.92,958 5.67,960 223.651,961 140.474,962 141.239,965 223.651,966 37,967 116.157,968 18.011,969 110.544,970 223.651,971 140.474,972 141.239,973 0.584,974 0.342,975 0.172,976 0.09,977 22,978 10,979 0.093,980 5,982 1,983 4.379,984 267.188,986 23,987 139.58,993 20.941,994 9.227,995 4.888,997 134.803,998 18.929,1001 4.908,1003 1.613,1005 18.011,1006 505.363,1007 46.5,1010 -0.696,1013 46.08,1017 -0.523,1020 52.113,1021 57.362,1022 0.294,1023 0.592,1024 0.693,1025 0.818,1026 0.869,1027 0.869,1028 5.089,1029 1.484,1030 5.916,1031 4.292,1032 4.554,1033 5.109,1034 2.906,1035 6.698,1036 4.507,1037 6.283,1038 1.329,1039 7.465,1040 3.602,1041 4.111,1042 4.856,1043 2.431,1044 7.545,1045 4.031,1046 7.578,1047 1,1048 9.111,1049 3.216,1050 6.129,1051 7.232,1052 4.252,1053 10.6,1054 6.027,1055 8.906,1056 1,1057 10.814,1058 2.275,1059 6.509,1060 7.802,1061 4.52,1062 12.247,1063 6.379,1064 10.265,1065 1,1066 12.553,1067 2.275,1068 7.978,1069 9.631,1070 5.968,1071 14.795,1072 7.825,1073 11.643,1074 0.834,1075 14.315,1076 2.147,1077 8.719,1078 10.57,1079 6.559,1080 16.76,1081 8.544,1082 13.037,1083 0.725,1084 16.093,1085 2.136,1086 9.964,1087 12.17,1088 7.798,1089 19.125,1090 9.766,1091 2.998,1092 0.649,1093 17.882,1094 1.79,1095 10.877,1096 13.297,1097 8.549,1098 21.233,1099 10.659,1100 2.952,1101 9.688,1102 19.68,1103 1.591,1104 12.024,1105 14.786,1106 9.671,1107 23.524,1108 11.784,1109 2.825,1110 9.14,1111 21.483,1112 4.061,1113 13.021,1114 16.016,1115 10.509,1116 25.7,1117 12.762,1118 2.571,1119 9.015,1120 23.292,1121 3.721,1122 14.126,1123 17.45,1124 11.563,1125 27.962,1126 13.847,1127 2.313,1128 7.769,1129 25.104,1130 3.698,1131 15.163,1132 18.739,1133 12.452,1134 30.171,1135 14.865,1136 2.169,1137 6.731,1138 26.92,1139 3.376,1140 16.251,1141 20.145,1142 13.468,1143 32.421,1144 15.934,1145 1.643,1146 6.349,1147 28.738,1148 2.94,1149 17.31,1150 21.47,1151 14.386,1152 34.647,1153 16.974,1154 14458,1155 26364,1156 22.77,1157 34.387,1158 51.733,1159 53.984,1160 52.288,1161 51.047,1162 50.979,1163 67.683,1164 11.927,1165 144.031,1166 49.922,1167 5.363,1168 5.787,1169 6.197,1170 5.037,1171 4.998,1172 7.061,1173 4.612,1174 16.447,1175 4.928,1176 15.261,1177 1.522,1178 1.588,1179 1.538,1180 1.501,1181 1.499,1182 1.991,1183 0.351,1184 4.236,1185 1.468,1186 4.032,1187 4.058,1188 4,1189 3.895,1190 7.816,1191 3.904,1192 3.958,1193 3.981,1194 3.907,1195 3.834,1196 7.431,1197 3.836,1198 3.894,1199 3.922,1200 3.837,1201 3.753,1202 7.426,1203 3.785,1204 3.708,1205 3.768,1206 3.61,1207 3.535,1208 6.999,1209 3.543,1210 3.493,1211 3.507,1212 3.475,1213 3.101,1214 4.977,1215 3.183,1216 3.242,1217 3.28,1218 3.187,1219 2.995,1220 4.761,1221 3.037,1222 3.119,1223 3.206,1224 3.049,1225 2.941,1226 4.721,1227 2.91,1228 3.111,1229 3.151,1230 2.866,1231 2.804,1232 4.271,1233 2.871,1234 0.128,1235 0.111,1236 0.188,1237 0.117,1238 0.088,1239 4.363,1240 0.119,1241 3.787,1242 0.077,1243 6.395,1244 0.285,1245 3.969,1246 0.086,1247 2.998,1248 4.061,1249 2.612,1250 9.688,1251 2.928,1252 1.933,1253 1.9,1254 2.053,1255 2.076,1256 1.299,1257 2.071,1258 1.895,1259 1.868,1260 2.008,1261 1.989,1262 1.079,1263 1.994,1264 1.683,1265 1.621,1266 1.877,1267 1.956,1268 1.033,1269 1.878,1270 1.565,1271 1.537,1272 1.677,1273 1.872,1274 0.825,1275 1.826,1276 1.468,1277 1.469,1278 1.513,1279 1.688,1280 0.729,1281 1.66,1282 1.153,1283 1.093,1284 1.502,1285 1.38,1286 0.44,1287 1.429,1288 1.127,1289 1.064,1290 1.274,1291 1.376,1292 0.361,1293 1.349,1294 0.969,1295 0.925,1296 1.181,1297 1.278,1298 0.218,1299 1.243,1300 4.234,1302 5.549,1303 2.398,1304 7.052,1305 4.595,1306 8.629,1307 6.605,1308 10.243,1315 2.674,1317 2.654,1321 4.027,1326 33.874,1327 85.138,1328 171.186,1329 200.485,1330 236.539,1331 251.294,1332 251.294,1333 64.04,1334 7.751,1335 111.61,1336 111.61,1337 23,1338 12.518,1339 4.459,1340 3.755,1341 49.925,1342 160,1343 139,1344 0.151,1345 207.185,1346 365.93,1347 497.292,1348 27523,1350 21.794,1351 0.703,1352 0.534,1353 21.794,1354 16.562,1355 15.008,1356 0.441,1357 0.287,1358 9.587,1359 14.255,1360 9.46,1361 7.788,1362 15.008,1363 9.76,1364 13.503,1365 0.287,1366 0.15,1367 13.503,1368 7.041,1369 11.478,1370 0.188,1371 0.083,1372 11.478,1373 5.073,1374 8.976,1375 0.121,1376 0.046,1377 8.976,1378 3.427,1379 6.935,1380 0.078,1381 0.026,1382 6.935,1383 2.273,1384 0.247,1385 95.476,1386 0.21,1387 29.99,1388 0.386,1389 162,1390 569.946,1391 183.806,1392 538.613,1393 716.77,1394 498,1395 189,1396 524.798,1397 211.891,1398 518.474,1399 753.66,1400 487,1401 5.056}
{0 CHEMBL1382645,1 1.847,2 9.095,3 3.3,4 10.888,5 80.655,6 9.594,7 0.545,8 3.634,9 3.731,10 3.401,11 3.194,12 4.845,13 3.188,14 4.118,15 4.267,16 3.793,17 3.514,18 5.391,19 3.493,20 4.283,21 4.432,22 3.768,23 3.573,24 5.574,25 3.529,26 4.21,27 4.387,28 3.898,29 3.457,30 5.521,31 3.402,32 4.16,33 4.366,34 3.412,35 3.33,36 5.37,37 3.269,38 4.13,39 4.346,40 3.393,41 3.269,42 5.339,43 3.197,44 3.945,45 4.092,46 3.504,47 3.057,48 5.473,49 3.054,50 3.858,51 4.1,52 3.074,53 2.991,54 4.88,55 2.919,56 0.105,57 0.474,58 4.065,59 2.762,60 7.226,61 3.13,62 0.321,63 0.705,64 10.585,65 4.808,66 23.111,67 5.625,68 0.593,69 0.758,70 17.123,71 5.156,72 52.983,73 5.233,74 0.515,75 0.694,76 19.125,77 5.674,78 43.168,79 6.773,80 0.462,81 0.69,82 14.469,83 4.332,84 34.095,85 4.942,86 0.394,87 0.577,88 20.073,89 5.63,90 42.145,91 6.749,92 0.508,93 0.481,94 12.14,95 3.871,96 66.692,97 3.817,98 0.437,99 0.445,100 16.223,101 3.875,102 37.814,103 4.359,104 26,105 30,106 0.343,107 0.671,108 0.739,109 0.772,110 0.772,111 0.772,112 3.102,113 0.939,114 -4.04,115 -3.99,116 -3.78,120 41.2,121 2,126 1,143 4,145 3,147 2,151 1,159 1,176 1,177 6,180 3,185 9,188 1,192 1,200 2,201 5,206 3,209 4,213 2,214 2,219 2,227 3,240 10,245 3,264 6,271 6,274 557,275 13.48,276 13.48,277 13.48,278 13.48,279 13.48,280 11.724,281 18.859,282 8.03,283 14.041,284 10.899,285 10.899,286 10.899,287 10.899,288 10.899,289 8.224,290 26.321,291 3.905,292 11.883,293 3.24,294 1.471,295 1.103,296 0.927,297 0.927,298 0.927,299 3.757,303 2,305 1,306 1,307 1,308 393,309 3,313 154.241,320 1.433,321 24.787,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.167,333 191,334 4.181,335 3.623,336 5.711,337 3.741,338 2.806,339 3.819,340 2.03,341 8.07,342 2.629,343 4.159,344 3.178,345 5.662,346 3.682,347 2.764,348 3.808,349 0.892,350 7.92,351 2.499,352 3.674,353 2.882,354 5.136,355 3.343,356 2.362,357 2.901,358 0.141,359 6.377,360 2.305,361 3.319,362 2.623,363 4.864,364 2.898,365 2.008,366 2.569,368 5.614,369 1.787,370 3.232,371 2.591,372 4.618,373 2.832,374 1.879,375 2.481,377 4.963,378 1.749,379 3.232,380 2.147,381 4.618,382 2.716,383 1.879,384 2.481,386 4.963,387 1.639,388 3.155,389 2.139,390 4.598,391 2.707,392 1.756,393 2.349,395 4.873,396 1.441,397 1.792,398 1.392,399 3.189,400 1.483,401 0.59,402 0.671,404 1.413,405 0.517,406 1.191,407 0.512,408 2.729,409 0.781,410 -0.18,411 -0.228,413 -0.506,414 -0.171,415 1,416 0.273,417 2.382,418 0.591,419 -0.347,420 -0.445,422 -0.891,423 -0.229,424 1,425 0.173,426 2.382,427 0.473,428 -0.347,429 -0.445,431 -0.891,432 -0.288,433 0.909,434 -0.017,435 2.296,436 0.456,437 -0.447,438 -0.563,440 -1.136,441 -0.325,442 0.704,443 -0.11,444 2,445 0.408,446 -0.578,447 -0.668,449 -1.348,450 -0.544,451 0.367,452 -0.167,453 1.639,454 -0.024,455 -0.817,456 -0.951,458 -2.008,459 -0.656,460 0.112,461 -0.603,462 1.283,463 -0.232,464 -1.172,465 -1.525,467 -3,468 -1.129,469 10.295,470 0.49,471 0.667,472 0.032,473 28.25,474 1.345,475 14.5,476 0.69,477 13.75,478 0.655,479 15.348,480 0.731,481 22.705,482 0.668,483 18.709,484 0.891,485 5.69,486 0.271,487 4.229,488 0.201,489 0.268,491 0.34,496 0.735,497 1.405,498 0.523,499 0.931,500 0.633,501 0.858,502 0.785,503 1.051,504 0.565,505 0.796,506 0.566,507 0.774,508 1.447,509 0.98,510 1.233,511 0.939,512 1.463,513 1.038,514 0.561,515 1.288,516 0.553,517 1.064,518 0.519,519 0.992,520 1.175,521 0.839,522 0.954,523 0.871,524 1.154,525 1.028,526 1.151,527 0.97,528 0.966,529 1.015,530 1.504,531 0.908,532 1.34,533 1.256,534 0.785,535 1.177,536 2.196,537 1.092,538 1.563,539 0.433,540 0.931,541 0.327,542 0.993,543 0.465,544 6.5,545 0.149,546 1.333,547 2,548 1.147,549 0.431,550 0.428,551 0.115,552 0.206,553 0.102,554 4398,555 16657,556 1.941,557 38.2,559 6,562 1,563 6,567 1.627,568 1.775,569 3.179,570 -0.197,572 1,574 1,575 62.81,576 1.847,577 3.617,578 3.984,579 4.161,580 4.161,581 4.161,582 2.475,583 3.821,584 4.37,585 3.383,586 710.439,587 7.458,588 7950.51,589 1,590 1,591 1,592 1,593 172.974,594 1.545,595 4.294,596 0.295,597 0.012,598 0.044,599 0.074,600 0.046,601 0.023,602 0.023,603 0.007,604 0.015,605 0.006,606 0.545,607 0.33,608 1,609 0.702,610 96.7,611 -0.074,612 -0.232,613 0.005,614 -0.081,615 -0.101,616 -0.028,617 0.089,618 0.027,619 0.133,620 0.096,621 0.134,622 0.117,623 -0.276,624 0.092,625 -0.306,626 -0.036,627 -0.331,628 -0.195,629 0.398,630 -0.33,631 0.337,632 -0.111,633 0.352,634 -0.021,635 -0.203,636 0.258,637 -0.198,638 -0.02,639 -0.161,640 -0.15,641 -0.105,642 -0.11,643 0.019,644 -0.01,645 -0.072,646 0.137,647 0.084,648 -0.329,649 0.069,650 -0.254,651 0.003,652 -0.207,653 -0.375,654 0.468,655 0.047,656 0.653,657 -0.206,658 0.555,659 2.031,660 4.796,661 0.571,662 15.406,663 1.027,664 1.126,665 2.812,666 7.908,667 0.712,668 3.135,669 3.434,670 3.526,671 3.784,672 3.829,673 3.807,674 3.555,675 3.555,676 3.611,677 3.497,678 5.879,679 0.686,680 326.2,681 3.135,682 4.654,683 5.442,684 6.301,685 7.099,686 7.959,687 8.761,688 9.62,689 10.423,690 11.281,691 8.8,698 1,701 2,709 4,710 2,714 6,716 12,735 1,737 2,738 34,739 13,740 1,741 22,743 35,744 14,745 10,746 3,747 3,752 2,753 2,754 2,759 2,768 11,769 3,772 1,778 1,782 1,785 1,786 1,789 13,790 5,791 1,792 7,793 2,797 3,803 1,804 2,817 1,823 2,838 1,855 2,859 2,860 2,862 21,869 1,871 1,872 1,885 2,886 5.9,889 1,891 1,893 11.833,894 6.852,895 4.583,896 1.855,898 2.089,899 1.334,900 0.943,901 5.258,902 8.333,903 3.401,904 3.989,905 4.401,906 4.947,907 5.33,908 5.355,909 5.044,910 5.259,911 5.348,912 5.364,913 0.833,914 27,915 7.693,917 3.142,918 7.995,919 14.167,921 10.786,924 2.495,925 52.389,929 141.253,930 84.51,931 51.582,932 78.297,933 36.145,936 84.51,937 255.695,938 51.582,939 17.65,940 22.603,941 37.905,942 63.421,943 28.758,944 1.899,945 141.253,946 78.297,947 141.253,948 136.091,949 36.145,950 78.297,952 141.253,953 36.145,956 47.666,957 54.854,958 111.868,960 141.253,961 87.727,962 162.807,965 141.253,966 28.954,967 55.555,968 18.011,969 148.013,970 141.253,971 87.727,972 162.807,973 0.581,974 0.302,975 0.169,976 0.082,977 13,978 7,979 0.114,980 4,982 1,983 3.335,984 146.116,986 12,987 80.239,993 15.862,994 6.962,995 5.065,997 87.727,998 6.557,999 8.233,1003 3.112,1005 18.011,1006 391.787,1007 29,1013 11.796,1017 -0.365,1020 34.909,1021 38.293,1022 0.363,1023 0.711,1024 0.783,1025 0.818,1026 0.818,1027 0.818,1028 4.615,1029 0.59,1030 5.434,1031 4.873,1032 4.111,1033 4.673,1034 2.272,1035 6.151,1036 3.943,1037 5.83,1038 -0.18,1039 6.934,1040 1.413,1041 3.761,1042 4.543,1043 1.593,1044 6.763,1045 3.474,1046 7.125,1047 -0.347,1048 8.515,1049 -0.506,1050 5.624,1051 6.808,1052 3.266,1053 9.778,1054 5.316,1055 8.442,1056 -0.347,1057 10.135,1058 -0.891,1059 5.916,1060 7.315,1061 3.201,1062 11.049,1063 5.495,1064 9.777,1065 -0.447,1066 11.777,1067 -0.891,1068 7.341,1069 9.164,1070 4.494,1071 13.614,1072 6.898,1073 11.125,1074 -0.578,1075 13.433,1076 -1.136,1077 7.967,1078 10.009,1079 4.75,1080 15.237,1081 7.414,1082 12.486,1083 -0.817,1084 15.101,1085 -1.348,1086 9.189,1087 11.654,1088 5.814,1089 17.581,1090 8.604,1091 2.806,1092 -1.172,1093 16.777,1094 -2.008,1095 9.999,1096 12.696,1097 6.248,1098 19.405,1099 9.306,1100 2.764,1101 8.07,1102 18.461,1103 -3,1104 11.119,1105 14.225,1106 7.174,1107 21.63,1108 10.384,1109 2.362,1110 7.92,1111 20.152,1112 3.819,1113 12.029,1114 15.384,1115 7.714,1116 23.568,1117 11.191,1118 2.008,1119 6.377,1120 21.848,1121 3.808,1122 13.099,1123 16.841,1124 8.557,1125 25.727,1126 12.21,1127 1.879,1128 5.614,1129 23.55,1130 2.901,1131 14.063,1132 18.071,1133 9.16,1134 27.729,1135 13.076,1136 1.879,1137 4.963,1138 25.256,1139 2.569,1140 15.108,1141 19.483,1142 9.952,1143 29.852,1144 14.062,1145 1.756,1146 4.963,1147 26.966,1148 2.481,1149 16.1,1150 20.755,1151 10.594,1152 31.889,1153 14.962,1154 4451,1155 8825,1156 13.929,1157 24.21,1158 32.398,1159 33.926,1160 33.159,1161 32.26,1162 32.088,1163 42.158,1164 6.127,1165 88.385,1166 29.134,1167 5.076,1168 5.623,1169 5.024,1170 4.815,1171 4.806,1172 6.819,1173 3.634,1174 14.07,1175 4.629,1176 12.724,1177 1.473,1178 1.542,1179 1.507,1180 1.466,1181 1.459,1182 1.916,1183 0.278,1184 4.018,1185 1.324,1186 3.929,1187 3.966,1188 4.086,1189 3.851,1190 7.429,1191 3.846,1192 3.874,1193 3.9,1194 3.855,1195 3.735,1196 5.049,1197 3.754,1198 3.539,1199 3.569,1200 3.582,1201 3.303,1202 4.973,1203 3.338,1204 3.236,1205 3.33,1206 3.496,1207 3.051,1208 4.632,1209 3.033,1210 3.058,1211 3.129,1212 3.134,1213 2.849,1214 4.518,1215 2.841,1216 2.901,1217 2.918,1218 3.035,1219 2.822,1220 4.099,1221 2.815,1222 2.845,1223 2.89,1224 2.821,1225 2.671,1226 4.013,1227 2.671,1228 2.611,1229 2.72,1230 2.443,1231 2.378,1232 3.758,1233 2.345,1234 0.19,1235 0.165,1236 0.26,1237 0.17,1238 0.128,1239 4.181,1240 0.174,1241 3.623,1242 0.092,1243 5.711,1244 0.367,1245 3.741,1246 0.12,1247 2.806,1248 3.819,1249 2.03,1250 8.07,1251 2.629,1252 1.861,1253 1.851,1254 1.945,1255 2.008,1256 1.039,1257 1.987,1258 1.818,1259 1.771,1260 1.909,1261 1.938,1262 0.996,1263 1.942,1264 1.432,1265 1.399,1266 1.615,1267 1.689,1268 0.741,1269 1.668,1270 1.258,1271 1.168,1272 1.611,1273 1.494,1274 0.678,1275 1.54,1276 0.98,1277 0.908,1278 1.269,1279 1.28,1280 0.279,1281 1.285,1282 0.849,1283 0.827,1284 1.044,1285 1.033,1286 0.105,1287 1.043,1288 0.798,1289 0.747,1290 1,1291 0.962,1292 0.102,1293 1.004,1294 0.631,1295 0.526,1296 0.974,1297 0.886,1298 0.037,1299 0.928,1300 3.807,1302 5.106,1304 6.567,1306 8.112,1308 9.7,1310 3.656,1311 11.69,1315 -0.187,1317 2.571,1318 5.326,1326 23.31,1327 62.81,1328 122.974,1329 135.464,1330 141.464,1331 141.464,1332 141.464,1333 37.235,1334 6.244,1335 64.11,1336 64.11,1337 12,1338 11.845,1339 3.807,1340 3,1341 39.517,1342 75,1343 52,1344 0.258,1345 154.826,1346 266.76,1347 369.535,1348 3752,1349 5.9,1350 15.405,1351 0.734,1352 0.619,1353 16.405,1354 12.995,1355 9.919,1356 0.451,1357 0.313,1358 6.098,1359 8.905,1360 5.806,1361 4.839,1362 10.496,1363 6.888,1364 9.485,1365 0.316,1366 0.176,1367 10.302,1368 5.289,1369 6.356,1370 0.193,1371 0.087,1372 6.827,1373 2.876,1374 5.863,1375 0.136,1376 0.051,1377 6.657,1378 2.209,1379 3.691,1380 0.082,1381 0.024,1382 4.001,1383 1.062,1384 0.411,1385 68.574,1386 0.268,1387 21.16,1388 0.686,1389 104,1390 379.501,1391 147.124,1392 421.771,1393 542.48,1394 390,1395 115,1396 342.704,1397 145.494,1398 364.612,1399 522.84,1400 340,1401 4.143}
{0 CHEMBL1382798,1 1.672,2 10.385,3 3.981,4 15.852,5 110.279,6 8.36,7 0.393,8 3.912,9 4.028,10 3.621,11 3.547,12 5.043,13 3.481,14 4.443,15 4.615,16 4.069,17 3.955,18 5.493,19 3.871,20 4.703,21 4.87,22 4.131,23 4.169,24 5.769,25 4.038,26 4.913,27 5.15,28 4.207,29 4.194,30 5.975,31 4.005,32 4.784,33 5.057,34 4.022,35 4.022,36 5.81,37 3.836,38 4.432,39 4.608,40 3.93,41 3.846,42 5.716,43 3.679,44 4.298,45 4.493,46 3.724,47 3.67,48 5.604,49 3.535,50 4.221,51 4.431,52 3.67,53 3.639,54 5.474,55 3.487,56 0.021,57 0.682,58 8.538,59 4.158,60 9.576,61 5.165,62 0.201,63 1.157,64 19.004,65 7.225,66 21.608,67 9.268,68 0.164,69 1.475,70 27.425,71 10.542,72 26.006,73 12.265,74 0.311,75 1.699,76 40.42,77 14.334,78 60.399,79 17.179,80 0.331,81 1.501,82 37.996,83 12.701,84 62.128,85 14.918,86 0.223,87 1.189,88 27.876,89 9.118,90 43.886,91 9.43,92 0.28,93 1.052,94 22.934,95 6.559,96 52.946,97 6.676,98 0.164,99 0.876,100 19.725,101 7.176,102 49.363,103 8.232,104 38,105 41,106 0.286,107 0.657,108 0.772,109 0.807,110 0.817,111 0.817,112 3.304,113 1.015,114 -3.6,115 -3.57,116 -3.4,120 41.3,121 2,122 1,125 1,126 1,131 1,143 5,144 3,153 1,154 1,159 2,160 1,174 8,177 5,180 1,181 1,182 3,185 12,189 5,194 3,197 6,201 5,204 2,206 6,209 2,214 1,217 1,219 4,222 2,226 1,227 4,230 1,232 5,235 2,240 1,243 1,245 1,247 5,251 1,252 2,257 2,260 7,263 1,264 3,271 6,274 998,275 16.98,276 16.98,277 16.98,278 16.98,279 16.98,280 15.268,281 21.947,282 9.748,283 17.442,284 13.736,285 13.736,286 13.736,287 13.736,288 13.736,289 10.976,290 33.196,291 4.539,292 14.528,293 3.851,294 1.681,295 1.014,296 0.805,297 0.745,298 0.745,299 3.977,306 1,307 1,308 571,309 3.873,312 59.113,313 167.686,316 112.588,320 1.538,321 23.789,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55,333 270,334 4.635,335 4.098,336 7.297,337 4.406,338 3.447,339 4.299,340 2.035,341 12.467,342 3.308,343 4.273,344 3.839,345 6.701,346 4.003,347 3.063,348 3.68,349 1.773,350 10.792,351 2.884,352 4.159,353 3.632,354 6.043,355 3.809,356 2.812,357 3.344,358 0.99,359 8.648,360 2.803,361 3.657,362 3.465,363 5.577,364 3.233,365 2.33,366 2.899,367 0.916,368 7.178,369 2.093,370 3.533,371 3.092,372 5.135,373 2.982,374 2.044,375 2.616,376 0.172,377 6.102,378 1.905,379 3.244,380 2.346,381 4.897,382 2.761,383 1.803,384 2.426,385 0.14,386 5.306,387 1.716,388 3.069,389 2.181,390 4.474,391 2.571,392 1.626,393 2.134,395 3.95,396 1.512,397 2.915,398 2.123,399 4.111,400 2.264,401 1.373,402 1.623,404 3.648,405 1.204,406 2.542,407 1.553,408 3.465,409 2.001,410 1.005,411 1.5,413 2.414,414 1,415 2.5,416 1.324,417 3.325,418 2,419 1,420 1.466,422 2.136,423 0.983,424 2.363,425 1,426 3.247,427 1.587,428 0.659,429 0.971,431 1.4,432 0.604,433 1.319,434 0.985,435 3.089,436 0.854,437 -0.092,438 -0.129,440 -0.173,441 -0.086,442 1,443 0.82,444 2.787,445 0.694,446 -0.195,447 -0.228,449 -0.526,450 -0.169,451 0.993,452 0.307,453 2.582,454 0.444,455 -0.49,456 -0.568,458 -1.232,459 -0.443,460 0.742,461 -0.174,462 2.294,463 0.282,464 -0.637,465 -0.836,467 -1.626,468 -0.559,469 13.1,470 0.504,471 0.858,472 0.033,473 32.25,474 1.24,475 16,476 0.615,477 16.25,478 0.625,479 24.925,480 0.959,481 27.1,482 0.589,483 22.954,484 0.883,485 6.058,486 0.233,487 6.256,488 0.241,489 0.234,490 0.038,491 0.298,496 0.788,497 1.135,498 0.669,499 0.81,500 0.519,501 0.861,502 0.637,503 0.957,504 0.638,505 0.771,506 0.403,507 0.752,508 1.071,509 1.192,510 1.161,511 1.176,512 0.739,513 1.16,514 0.703,515 1.086,516 0.796,517 1.004,518 0.759,519 1.043,520 1.024,521 0.767,522 0.886,523 0.749,524 1.04,525 0.676,526 1.102,527 1.4,528 1.614,529 1.551,530 1.232,531 1.242,532 1.867,533 0.951,534 1.613,535 1.167,536 2.022,537 1.008,538 0.879,539 0.878,540 1.03,541 0.946,542 0.99,543 0.833,544 7,545 0.139,546 3.778,547 2.639,548 1.792,549 1.334,550 0.438,551 0.516,552 0.221,553 0.209,554 7607,555 21206,556 1.983,557 43.5,559 10,562 2,564 8,567 1.69,568 1.803,569 3.347,570 0.289,572 1,575 76.935,576 1.672,577 3.843,578 4.51,579 4.719,580 4.779,581 4.779,582 2.749,583 4.316,584 4.673,585 3.516,586 1142.55,587 8.096,588 14248.2,590 1,592 1,593 254.084,594 1.717,595 4.592,596 0.25,597 0.007,598 0.092,599 0.063,600 0.048,601 0.039,602 0.015,603 0.021,604 0.009,605 0.01,606 0.554,607 0.5,608 1,609 0.85,610 127.124,611 -0.058,612 -0.07,613 0.036,614 0.029,615 -0.01,616 0.025,617 0.204,618 0.083,619 0.195,620 0.125,621 0.121,622 0.175,623 -0.158,624 -0.148,625 -0.193,626 -0.187,627 -0.034,628 -0.218,629 0.202,630 -0.165,631 0.18,632 -0.021,633 0.127,634 -0.035,635 0.019,636 0.192,637 0.233,638 0.3,639 0.002,640 0.349,641 0.001,642 -0.259,643 -0.224,644 -0.312,645 0.006,646 -0.266,647 -0.415,648 0.28,649 -0.33,650 -0.056,651 -0.373,652 -0.117,653 0.103,654 0.129,655 0.095,656 0.138,657 0.213,658 0.17,659 1.941,660 5.216,661 0.577,662 22.491,663 0.999,664 1.117,665 2.368,666 5.606,667 0.714,668 3.367,669 3.738,670 3.989,671 4.234,672 4.454,673 4.522,674 4.595,675 4.635,676 4.554,677 4.443,678 6.255,679 0.661,680 384.57,681 3.367,682 4.934,683 5.79,684 6.691,685 7.571,686 8.476,687 9.367,688 10.275,689 11.172,690 12.083,691 8.7,694 1,698 2,700 1,709 5,713 1,714 5,716 11,718 1,738 46,739 14,740 1,741 28,743 48,744 19,745 10,746 1,747 5,748 1,752 3,753 4,757 1,759 2,763 1,764 1,766 1,767 1,768 12,769 6,770 1,772 2,778 1,779 1,782 2,786 1,789 20,790 5,791 2,792 7,793 2,797 4,800 1,803 0.667,804 1,822 1,823 2,826 1,851 1,855 2,857 2,859 3,862 26,869 2,871 2,875 1,876 1,877 1,880 1,882 1,884 1,886 2.2,889 1,893 14.417,894 9.317,895 5.653,896 2.615,898 1.999,899 1.281,900 0.959,901 5.427,902 9.115,903 3.651,904 4.201,905 4.72,906 5.271,907 5.651,908 5.849,909 6.056,910 6.152,911 6.266,912 6.152,913 0.857,914 42,915 9.593,917 4.06,918 7.804,919 18.258,921 15.015,924 2.304,925 59.917,928 1,929 211.88,930 187.974,931 70.205,933 25.145,935 76.47,936 111.504,937 237.025,938 70.205,939 26.047,940 40.662,941 47.381,942 46.451,943 44.67,944 1.643,945 243.158,946 45.192,947 211.88,948 181.709,949 25.145,950 76.47,952 117.711,953 119.314,956 93.425,957 88.284,959 76.47,960 211.88,961 95.35,962 187.974,965 211.88,966 52.752,967 76.552,968 52.623,969 101.396,970 211.88,971 95.35,972 187.974,973 0.594,974 0.35,975 0.181,976 0.1,977 20,978 10,979 0.042,980 2,981 1,982 1.133,983 3.667,984 217.117,985 0.133,986 15,987 116.211,989 1,990 1,993 18.97,994 7.438,995 3.984,997 95.35,998 8.886,1002 1.528,1003 4.11,1005 36.022,1006 495.204,1007 37.5,1013 12.216,1014 5.272,1017 -0.078,1020 45.956,1021 51.364,1022 0.303,1023 0.696,1024 0.816,1025 0.854,1026 0.865,1027 0.865,1028 4.933,1029 1.373,1030 5.838,1031 3.95,1032 4.419,1033 4.887,1034 2.898,1035 6.723,1036 4.315,1037 6.172,1038 1.005,1039 7.458,1040 3.648,1041 4.29,1042 4.808,1043 1.404,1044 7.96,1045 4.15,1046 7.507,1047 1,1048 9.189,1049 2.414,1050 6.138,1051 7.037,1052 3.95,1053 11.003,1054 5.952,1055 8.873,1056 0.659,1057 10.986,1058 2.136,1059 6.792,1060 7.74,1061 2.615,1062 13.031,1063 6.574,1064 10.269,1065 -0.092,1066 12.825,1067 1.4,1068 8.198,1069 9.503,1070 5.215,1071 15.68,1072 7.941,1073 11.686,1074 -0.195,1075 14.694,1076 -0.173,1077 9.177,1078 10.575,1079 3.838,1080 18.001,1081 8.883,1082 13.121,1083 -0.49,1084 16.584,1085 -0.526,1086 10.439,1087 12.149,1088 6.555,1089 20.538,1090 10.106,1091 3.447,1092 -0.637,1093 18.49,1094 -1.232,1095 11.552,1096 13.406,1097 5.046,1098 22.969,1099 11.178,1100 3.063,1101 12.467,1102 20.409,1103 -1.626,1104 12.769,1105 14.902,1106 7.927,1107 25.477,1108 12.357,1109 2.812,1110 10.792,1111 22.338,1112 4.299,1113 13.938,1114 16.251,1115 6.233,1116 27.952,1117 13.484,1118 2.33,1119 8.648,1120 24.275,1121 3.68,1122 15.147,1123 17.715,1124 9.314,1125 30.455,1126 14.652,1127 2.044,1128 7.178,1129 26.218,1130 3.344,1131 16.341,1132 19.113,1133 7.405,1134 32.949,1135 15.804,1136 1.803,1137 6.102,1138 28.168,1139 2.899,1140 17.552,1141 20.565,1142 10.711,1143 35.455,1144 16.973,1145 1.626,1146 5.306,1147 30.121,1148 2.616,1149 18.76,1150 21.988,1151 8.567,1152 37.959,1153 18.138,1154 7492,1155 12693,1156 17.8,1157 32.864,1158 44.314,1159 47.812,1160 44.435,1161 42.411,1162 42.323,1163 53.917,1164 12.054,1165 128.084,1166 40.024,1167 5.581,1168 6.098,1169 7.099,1170 5.549,1171 5.447,1172 7.299,1173 4.069,1174 19.949,1175 5.308,1176 15.698,1177 1.583,1178 1.708,1179 1.587,1180 1.515,1181 1.512,1182 1.926,1183 0.431,1184 4.574,1185 1.429,1186 4.035,1187 4.059,1188 4.293,1189 4.026,1190 7.429,1191 3.976,1192 3.914,1193 3.94,1194 3.924,1195 3.848,1196 6.82,1197 3.844,1198 3.658,1199 3.709,1200 3.79,1201 3.545,1202 4.866,1203 3.523,1204 3.463,1205 3.503,1206 3.612,1207 3.367,1208 4.719,1209 3.311,1210 3.268,1211 3.362,1212 3.243,1213 3.086,1214 4.576,1215 3.073,1216 3.09,1217 3.126,1218 3.173,1219 2.958,1220 4.228,1221 2.943,1222 3.053,1223 3.121,1224 2.984,1225 2.874,1226 3.868,1227 2.864,1228 2.874,1229 3.009,1230 2.749,1231 2.735,1232 3.674,1233 2.715,1234 0.166,1235 0.146,1236 0.261,1237 0.157,1238 0.123,1239 4.635,1240 0.154,1241 4.098,1242 0.073,1243 7.297,1244 0.445,1245 4.406,1246 0.118,1247 3.447,1248 4.299,1249 2.035,1250 12.467,1251 3.308,1252 1.902,1253 1.878,1254 2.033,1255 2.017,1256 1.347,1257 2.028,1258 1.873,1259 1.831,1260 2.017,1261 1.994,1262 1.075,1263 2.002,1264 1.568,1265 1.548,1266 1.638,1267 1.711,1268 0.853,1269 1.707,1270 1.391,1271 1.351,1272 1.611,1273 1.548,1274 0.765,1275 1.585,1276 1.311,1277 1.275,1278 1.457,1279 1.532,1280 0.606,1281 1.534,1282 1.164,1283 1.083,1284 1.417,1285 1.361,1286 0.469,1287 1.399,1288 0.962,1289 0.936,1290 1.34,1291 1.239,1292 0.444,1293 1.308,1294 0.934,1295 0.821,1296 1.212,1297 1.172,1298 0.319,1299 1.174,1300 4.043,1302 5.398,1303 2.398,1304 6.942,1305 4.844,1306 8.573,1307 7.034,1308 10.251,1310 6.436,1315 1.607,1317 5.708,1321 2.284,1322 -0.001,1324 9.645,1325 2.304,1326 30.389,1327 76.935,1328 176.759,1329 207.455,1330 217.064,1331 219.819,1332 219.819,1333 51.46,1334 7.116,1335 68.16,1336 128.49,1337 17,1338 12.6,1339 3.907,1340 3.392,1341 44.411,1342 97,1343 98,1344 0.224,1345 197.933,1346 344.43,1347 474.718,1348 10918,1350 18.897,1351 0.727,1352 0.637,1353 19.751,1354 16.553,1355 12.314,1356 0.44,1357 0.338,1358 8.268,1359 11.28,1360 7.8,1361 6.529,1362 13.011,1363 9.473,1364 11.773,1365 0.287,1366 0.206,1367 12.824,1368 8.453,1369 9.524,1370 0.18,1371 0.114,1372 10.532,1373 6.052,1374 7.659,1375 0.113,1376 0.065,1377 9.07,1378 4.415,1379 6.046,1380 0.071,1381 0.039,1382 7.269,1383 3.325,1384 0.351,1385 83.236,1386 0.237,1387 25.048,1388 0.617,1389 138,1390 379.412,1391 187.589,1392 421.934,1393 564.15,1394 390,1395 163,1396 379.131,1397 204.167,1398 415.976,1399 602.99,1400 387,1401 4.856}
{0 CHEMBL1383149,1 1.507,2 9.238,3 3.68,4 13.539,5 81.731,6 7.952,7 0.739,8 3.663,9 3.764,10 3.286,11 3.269,12 4.885,13 3.254,14 4.111,15 4.248,16 3.626,17 3.624,18 5.294,19 3.599,20 4.323,21 4.487,22 3.652,23 3.688,24 5.559,25 3.646,26 4.389,27 4.584,28 3.57,29 3.592,30 5.753,31 3.54,32 4.213,33 4.425,34 3.37,35 3.458,36 5.371,37 3.394,38 4.057,39 4.256,40 3.264,41 3.294,42 5.286,43 3.243,44 3.93,45 4.155,46 3.029,47 3.161,48 5.07,49 3.095,50 3.739,51 3.926,52 2.888,53 3.08,54 4.894,55 2.996,56 0.054,57 0.474,58 6.085,59 3.077,60 7.749,61 3.661,62 0.049,63 0.743,64 10.378,65 4.806,66 10.554,67 5.974,68 0.103,69 0.888,70 14.136,71 6.021,72 19.514,73 7.43,74 0.41,75 0.912,76 17.371,77 6.342,78 67.03,79 7.908,80 0.169,81 0.774,82 14.575,83 5.584,84 34.689,85 7.132,86 0.25,87 0.687,88 12.101,89 4.27,90 28.678,91 5.408,92 0.17,93 0.607,94 11.081,95 3.784,96 25.24,97 4.821,98 0.09,99 0.462,100 8.479,101 3.65,102 18.174,103 4.555,104 10,105 32,106 0.272,107 0.596,108 0.747,109 0.85,110 0.86,111 0.86,112 3.103,113 0.86,114 -4.62,115 -4.54,116 -4.27,120 48.6,121 1,143 8,144 3,145 2,146 1,152 1,158 1,167 1,174 9,177 6,182 2,185 11,189 5,194 2,197 7,200 2,201 7,204 1,206 2,209 4,214 5,222 3,227 7,230 2,235 3,240 4,247 5,252 1,257 2,260 7,264 1,269 2,271 8,274 534,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 11.998,281 12.198,282 8.294,283 14.234,284 11.316,285 11.316,286 11.316,287 11.316,288 11.316,289 8.153,290 8.746,291 3.925,292 11.487,293 3.623,294 1.828,295 0.993,296 0.422,297 0.364,298 0.364,299 3.78,305 1,306 1,307 1,308 416,309 2.449,312 56.956,313 140.73,320 1.488,321 20.643,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45,333 194,334 4.456,335 3.617,336 6.59,337 4.097,338 3.098,339 4.107,341 10.338,342 3.099,343 4.226,344 3.001,345 6.167,346 3.817,347 2.849,348 3.857,350 9.128,351 2.752,352 3.87,353 2.697,354 5.609,355 3.436,356 2.447,357 3.44,359 7.241,360 2.416,361 3.569,362 2.505,363 5.038,364 3.191,365 2.202,366 2.914,368 6.045,369 2.172,370 3.1,371 1.995,372 4.538,373 2.637,374 1.642,375 2.324,377 4.441,378 1.628,379 2.861,380 1.543,381 4.143,382 2.392,383 1.414,384 2.015,386 3.412,387 1.377,388 2.671,389 1.311,390 3.631,391 2.21,392 1.219,393 1.743,395 2.973,396 1.207,397 2.5,398 1.217,399 3.425,400 2,401 1,402 1.5,404 2.275,405 1,406 2.302,407 1,408 3.414,409 1.744,410 0.751,411 1.122,413 1.834,414 0.735,415 2.142,416 0.698,417 3.253,418 1.574,419 0.585,420 0.898,422 1.453,423 0.578,424 1.113,425 0.201,426 2.477,427 0.777,428 -0.208,429 -0.26,431 -0.461,432 -0.203,433 1.092,434 0.045,435 2.221,436 0.682,437 -0.283,438 -0.366,440 -0.608,441 -0.268,442 0.632,443 -0.561,444 2,445 0.157,446 -0.849,447 -1.209,449 -2.015,450 -0.851,451 0.5,452 -0.859,453 2,455 -1,456 -1.368,458 -2.895,459 -1,460 0.264,461 -1,462 1.662,463 -0.105,464 -1.098,465 -1.5,467 -3,468 -1.076,469 9.967,470 0.475,471 0.524,472 0.025,473 30.75,474 1.464,475 18,476 0.857,477 12.75,478 0.607,479 12.293,480 0.585,481 21.233,482 0.607,483 21.209,484 1.01,485 6.323,486 0.301,487 3.825,488 0.182,489 0.117,491 0.341,496 0.712,497 0.977,498 0.731,499 0.894,500 0.729,501 0.834,502 0.718,503 1.175,504 0.77,505 1.001,506 0.611,507 0.906,508 1.008,509 1.22,510 0.987,511 1.164,512 0.903,513 1.083,514 1.163,515 0.983,516 1.03,517 0.953,518 1.284,519 0.968,520 1.117,521 1.051,522 0.941,523 0.949,524 1.156,525 0.924,526 1.139,527 1.035,528 1.068,529 0.935,530 1.052,531 0.971,532 1.273,533 0.79,534 1.115,535 0.796,536 1.124,537 0.876,538 1.029,539 0.901,540 1.079,541 1.064,542 1.12,543 1.081,544 4,545 0.078,546 2.889,547 1.375,548 1.059,549 0.601,550 0.414,551 0.24,552 0.119,553 0.073,554 4406,555 12060,556 2.074,557 40,558 3,559 8,560 1,561 1,562 1,567 1.63,568 1.938,569 3.193,570 -0.338,572 1,574 1,575 52.735,576 1.507,577 3.301,578 4.136,579 4.708,580 4.765,581 4.765,582 2.678,583 4.107,584 4.364,585 3.312,586 695.533,587 7.466,588 7324.12,589 1,590 1,591 1,592 1,593 179.525,594 1.418,595 4.322,596 0.174,597 0.011,598 0.09,599 0.044,600 0.039,601 0.026,602 0.021,603 0.015,604 0.009,605 0.006,606 0.435,607 0.67,608 1,609 0.61,610 94.874,611 0.009,612 0.072,613 0.027,614 0.048,615 -0.109,616 0.034,617 -0.022,618 -0.134,619 0.046,620 -0.06,621 -0.007,622 -0.007,623 -0.069,624 -0.216,625 -0.088,626 -0.219,627 0.004,628 -0.164,629 0.161,630 0.004,631 -0.009,632 -0.004,633 0.123,634 -0.031,635 -0.089,636 -0.084,637 0.062,638 0.022,639 -0.079,640 0.056,641 0.036,642 0.022,643 -0.075,644 -0.017,645 -0.013,646 -0.058,647 -0.225,648 0.272,649 -0.105,650 0.132,651 -0.108,652 0.068,653 -0.108,654 0.021,655 -0.135,656 -0.066,657 -0.082,658 -0.094,659 1.911,660 5.353,661 0.81,662 15.483,663 1.005,664 1.112,665 3.389,666 11.484,667 0.7,668 3.178,669 3.497,670 3.761,671 3.97,672 4.127,673 4.143,674 4.174,675 4.248,676 4.29,677 4.234,678 5.406,679 0.675,680 278.33,681 3.178,682 4.71,683 5.557,684 6.425,685 7.288,686 8.16,687 9.029,688 9.904,689 10.776,690 11.652,691 5.7,699 1,701 1,709 10,710 1,714 5,715 1,716 17,721 1,734 1,738 35,739 18,740 2,741 23,743 37,744 17,745 15,746 4,747 8,748 1,752 3,753 3,759 1,768 16,769 1,772 1,778 1,782 1,785 1,786 1,789 14,790 3,791 1,792 4,797 2,803 1,804 2,814 1,822 1,823 2,855 3,859 1,862 21,868 1,886 5.7,888 1,889 1,893 10.833,894 6.6,895 4.611,896 1.975,898 3.071,899 1.46,900 0.974,901 3.486,902 9.747,903 3.512,904 4.131,905 4.735,906 5.285,907 5.734,908 5.964,909 6.279,910 6.634,911 6.984,912 7.213,913 1,914 31,915 7.74,917 3.308,918 7.881,919 14.496,921 11.703,924 2.381,925 50,929 153.024,930 120.177,931 18.44,933 67.828,936 120.177,937 220.853,938 18.44,939 8.825,941 84.857,942 101.396,943 23.137,944 11.771,945 129.482,947 153.024,948 138.617,949 67.828,952 153.024,953 67.828,956 19.649,957 102.304,958 16.663,960 153.024,961 86.268,962 120.177,965 153.024,966 17.447,967 104.507,969 84.491,970 153.024,971 86.268,972 120.177,973 0.585,974 0.345,975 0.178,976 0.092,977 16,978 7,979 0.081,980 3,982 1,983 3.356,984 159.644,986 17,987 88.239,993 13.438,994 5.447,995 2.678,997 84.491,998 17.53,999 4.207,1003 2.747,1004 1.645,1005 42.683,1006 359.469,1007 32.5,1013 12.353,1017 -0.244,1020 35.16,1021 38.907,1022 0.294,1023 0.644,1024 0.806,1025 0.918,1026 0.929,1027 0.929,1028 4.721,1029 1,1030 5.541,1031 2.973,1032 4.174,1033 4.816,1035 6.34,1036 4.147,1037 5.941,1038 0.751,1039 7.099,1040 2.275,1041 3.761,1042 4.543,1044 7.231,1045 3.72,1046 7.246,1047 0.585,1048 8.758,1049 1.834,1050 5.759,1051 7.018,1053 10.319,1054 5.705,1055 8.59,1056 -0.208,1057 10.477,1058 1.453,1059 6.176,1060 7.576,1062 12.036,1063 6.113,1064 9.964,1065 -0.283,1066 12.233,1067 -0.461,1068 7.635,1069 9.477,1071 14.635,1072 7.561,1073 11.36,1074 -0.849,1075 14.015,1076 -0.608,1077 8.42,1078 10.425,1080 16.682,1081 8.341,1082 12.772,1083 -1,1084 15.816,1085 -2.015,1086 9.667,1087 12.073,1089 19.11,1090 9.581,1091 3.098,1092 -1.098,1093 17.631,1094 -2.895,1095 10.623,1096 13.222,1098 21.301,1099 10.535,1100 2.849,1101 10.338,1102 19.456,1103 -3,1104 11.784,1105 14.745,1107 23.663,1108 11.691,1109 2.447,1110 9.128,1111 21.29,1112 4.107,1113 12.82,1114 16.002,1116 25.92,1117 12.728,1118 2.202,1119 7.241,1120 23.129,1121 3.857,1122 13.948,1123 17.462,1125 28.257,1126 13.853,1127 1.642,1128 6.045,1129 24.974,1130 3.44,1131 15.023,1132 18.779,1134 30.547,1135 14.93,1136 1.414,1137 4.441,1138 26.824,1139 2.914,1140 16.139,1141 20.207,1143 32.874,1144 16.047,1145 1.219,1146 3.412,1147 28.677,1148 2.324,1149 17.234,1150 21.558,1152 35.181,1153 17.144,1154 4293,1155 7221,1156 15.315,1157 24.489,1158 35.133,1159 35.418,1160 35.966,1161 34.457,1162 34.414,1163 47.84,1165 98.28,1166 33.927,1167 5.228,1168 5.617,1169 6.275,1170 5.101,1171 5.098,1172 7.107,1174 17.466,1175 5.099,1176 9.661,1177 1.528,1178 1.54,1179 1.564,1180 1.498,1181 1.496,1182 2.08,1184 4.273,1185 1.475,1186 4.049,1187 4.089,1188 4.012,1189 3.937,1190 7.427,1191 3.948,1192 3.899,1193 3.921,1194 3.845,1195 3.834,1196 6.468,1197 3.832,1198 3.73,1199 3.774,1200 3.665,1201 3.606,1202 4.971,1203 3.618,1204 3.205,1205 3.257,1206 3.124,1207 3.045,1208 4.639,1209 3.047,1210 3.041,1211 3.089,1212 2.888,1213 2.86,1214 4.602,1215 2.865,1216 2.934,1217 2.971,1218 2.811,1219 2.746,1220 3.841,1221 2.749,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.607,1229 2.67,1230 2.46,1231 2.366,1232 3.623,1233 2.372,1234 0.194,1235 0.157,1236 0.287,1237 0.178,1238 0.135,1239 4.456,1240 0.179,1241 3.617,1243 6.59,1244 0.449,1245 4.097,1246 0.135,1247 3.098,1248 4.107,1250 10.338,1251 3.099,1252 1.928,1253 1.901,1254 2.042,1255 2.029,1256 1.145,1257 2.033,1258 1.9,1259 1.88,1260 1.998,1261 1.99,1262 1.076,1263 1.992,1264 1.511,1265 1.487,1266 1.631,1267 1.642,1268 0.733,1269 1.639,1270 1.321,1271 1.246,1272 1.545,1273 1.582,1274 0.604,1275 1.561,1276 0.999,1277 0.902,1278 1.255,1279 1.28,1280 0.233,1281 1.303,1282 0.9,1283 0.866,1284 1.181,1285 1.153,1286 0.218,1287 1.134,1288 0.886,1289 0.837,1290 1.151,1291 1.079,1292 0.188,1293 1.107,1294 0.883,1295 0.821,1296 1.083,1297 1.062,1298 0.102,1299 1.09,1300 3.85,1302 5.165,1303 2.398,1304 6.673,1305 4.595,1306 8.263,1307 6.605,1308 9.893,1310 2.014,1314 9.749,1326 23.633,1327 52.735,1328 115.551,1329 144.77,1330 164.77,1331 166.77,1332 166.77,1333 34.573,1334 6.676,1335 55.12,1336 55.12,1337 17,1338 12.191,1339 4.248,1340 3.392,1341 32.261,1342 68,1343 69,1344 0.238,1345 146.895,1346 248.7,1347 350.183,1348 6297,1350 14.82,1351 0.706,1352 0.549,1353 14.82,1354 11.523,1355 10.148,1356 0.441,1357 0.287,1358 6.527,1359 9.854,1360 6.337,1361 5.301,1362 10.148,1363 6.594,1364 9.138,1365 0.286,1366 0.152,1367 9.138,1368 4.855,1369 7.838,1370 0.187,1371 0.078,1372 7.838,1373 3.292,1374 6.191,1375 0.119,1376 0.04,1377 6.191,1378 2.1,1379 4.658,1380 0.076,1381 0.022,1382 4.658,1383 1.353,1384 0.369,1385 63.071,1386 0.256,1387 20.822,1388 0.66,1389 110,1390 325.175,1391 118.343,1392 320.559,1393 437.95,1394 298,1395 129,1396 325.833,1397 138.426,1398 332.179,1399 481.27,1400 312,1401 6.796}
{0 CHEMBL1383312,1 1.43,2 9.571,3 4.625,4 21.388,5 88.086,6 7.352,7 0.696,8 3.737,9 3.873,10 3.313,11 3.262,12 4.858,13 3.244,14 4.227,15 4.435,16 3.639,17 3.61,18 5.262,19 3.582,20 4.356,21 4.555,22 3.652,23 3.704,24 5.419,25 3.644,26 4.456,27 4.714,28 3.421,29 3.621,30 5.419,31 3.516,32 4.29,33 4.568,34 3.187,35 3.415,36 5.198,37 3.289,38 4.085,39 4.367,40 3.13,41 3.243,42 4.998,43 3.154,44 3.866,45 4.085,46 3.054,47 3.209,48 4.88,49 3.139,50 3.898,51 4.127,52 2.955,53 3.237,54 4.825,55 3.116,56 0.04,57 0.612,58 7.744,59 3.065,60 8.219,61 4.318,62 0.199,63 0.935,64 14.351,65 4.62,66 15.027,67 6.795,68 0.142,69 1.045,70 15.995,71 5.59,72 18.937,73 8.174,74 0.197,75 1.046,76 19.366,77 5.77,78 27.37,79 8.888,80 0.172,81 0.847,82 16.834,83 5.347,84 23.974,85 8.181,86 0.159,87 0.701,88 13.814,89 4.18,90 18.119,91 6.461,92 0.122,93 0.615,94 10.096,95 3.124,96 14.594,97 4.641,98 0.13,99 0.603,100 10.505,101 4.093,102 13.43,103 5.823,104 11,105 32,106 0.255,107 0.544,108 0.651,109 0.783,110 0.793,111 0.793,112 3.102,113 0.881,114 -4.49,115 -4.42,116 -4.16,120 42.1,125 3,143 8,145 2,147 1,153 1,163 1,167 1,174 5,176 3,177 6,185 4,188 2,189 10,197 3,201 6,213 1,214 8,226 1,227 6,247 4,251 2,260 8,271 4,274 526,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.123,281 15.077,282 8.292,283 14.477,284 11.323,285 11.323,286 11.323,287 11.323,288 11.323,289 8.278,290 15.821,291 3.912,292 11.873,293 3.818,294 2.192,295 1.593,296 0.849,297 0.796,298 0.796,299 3.783,306 1,307 1,308 433,309 2.828,312 44.761,313 126.39,316 87.482,320 1.497,321 8.195,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 44.5,333 201,334 4.614,335 3.224,336 6.681,337 4.102,338 3.164,339 4.57,340 0.8,341 10.73,342 2.972,343 4.121,344 2.988,345 5.929,346 3.743,347 2.784,348 3.711,350 8.228,351 2.672,352 3.739,353 2.567,354 5.528,355 3.345,356 2.392,357 3.129,359 7.035,360 2.273,361 3.546,362 2.258,363 5.282,364 3.115,365 2.165,366 2.888,368 6.618,369 2.049,370 3.17,371 1.789,372 4.81,373 2.658,374 1.717,375 2.465,377 5.056,378 1.614,379 2.896,380 1.498,381 3.807,382 2.39,383 1.406,384 2.062,386 3.073,387 1.382,388 2.576,389 1.392,390 3.644,391 2.222,392 1.273,393 1.544,395 2.939,396 1.204,397 2.5,398 1,399 3.486,400 2,401 1,402 1.5,404 2.275,405 1,406 2.317,407 0.956,408 3.414,409 1.817,410 0.851,411 1.18,413 2.048,414 0.82,415 2.093,416 0.591,417 3.124,418 1.506,419 0.543,420 0.827,422 1.311,423 0.521,424 1.052,425 -0.059,426 2.493,427 0.707,428 -0.235,429 -0.288,431 -0.575,432 -0.22,433 0.856,434 -0.441,435 2.189,436 0.399,437 -0.562,438 -0.754,440 -1.27,441 -0.537,442 0.657,443 -0.6,444 2,445 0.161,446 -0.819,447 -1,449 -2,450 -0.799,451 0.5,452 -0.781,453 2,455 -1,456 -1.181,458 -2.006,459 -0.9,460 0.347,461 -0.962,462 1.859,463 -0.1,464 -1,465 -1.414,467 -2.862,468 -1,469 10,470 0.476,471 0.524,472 0.025,473 31,474 1.476,475 17,476 0.81,477 14,478 0.667,479 12.753,480 0.607,481 21.8,482 0.574,483 20.159,484 0.96,485 6.271,486 0.299,487 3.877,488 0.185,489 0.15,491 0.33,496 0.785,497 1.454,498 0.774,499 1.155,500 0.824,501 0.996,502 1.121,503 0.892,504 0.783,505 0.713,506 0.665,507 0.706,508 1.001,509 1.305,510 1.007,511 1.178,512 0.881,513 1.108,514 1.422,515 1.141,516 1.173,517 1.058,518 1.465,519 1.079,520 1.035,521 1.025,522 1.001,523 1.001,524 1.224,525 0.997,526 1.081,527 0.861,528 0.801,529 0.726,530 0.947,531 0.727,532 1.627,533 0.889,534 1.201,535 0.86,536 1.636,537 0.956,538 0.737,539 0.744,540 1.108,541 1.046,542 1.178,543 1.111,544 4,545 0.111,546 2.667,547 1.639,548 0.844,549 0.549,550 0.329,551 0.206,552 0.117,553 0.125,554 4686,555 10978,556 2.074,557 44.7,559 17,567 1.625,568 1.938,569 3.243,570 -0.75,575 54.325,576 1.43,577 3.056,578 3.655,579 4.399,580 4.451,581 4.451,582 2.701,583 4.011,584 4.365,585 3.406,586 715.285,587 7.444,588 7742.16,590 1,593 199.421,594 1.418,595 4.322,596 0.174,597 0.011,598 0.083,599 0.053,600 0.037,601 0.03,602 0.018,603 0.012,604 0.008,605 0.01,606 0.436,607 0.67,608 1,609 0.819,610 96.122,611 0.161,612 -0.28,613 0.085,614 -0.151,615 -0.001,616 -0.061,617 0.102,618 0.225,619 0.168,620 0.225,621 0.215,622 0.209,623 0.051,624 -0.222,625 -0.083,626 -0.213,627 0.137,628 -0.174,629 -0.246,630 -0.142,631 -0.181,632 -0.134,633 -0.245,634 -0.147,635 -0.002,636 -0.094,637 0.006,638 -0.048,639 -0.066,640 -0.025,641 0.038,642 0.084,643 0.222,644 0.215,645 0.193,646 0.237,647 -0.43,648 0.206,649 -0.253,650 0.075,651 -0.434,652 -0.042,653 0.056,654 0.251,655 -0.18,656 -0.028,657 -0.266,658 -0.116,659 1.062,660 1.467,661 0.714,662 16.15,663 0.995,664 1.131,665 3.264,666 10.657,667 0.674,668 3.178,669 3.497,670 3.761,671 3.97,672 4.143,673 4.143,674 4.174,675 4.22,676 4.22,677 4.277,678 5.792,679 0.639,680 279.38,681 3.178,682 4.71,683 5.557,684 6.425,685 7.29,686 8.163,687 9.033,688 9.909,689 10.783,690 11.661,691 13.2,697 1,699 1,701 1,704 2,708 2,709 8,710 1,714 3,715 1,716 16,732 1,738 38,739 17,740 2,741 23,743 40,744 16,745 13,746 4,747 8,752 3,753 4,768 13,769 3,772 1,781 2,786 1,789 17,790 4,792 5,794 1,797 5,802 1,803 0.667,822 1,823 2,826 1,855 2,859 3,862 21,875 1,893 10.833,894 7.917,895 4.611,896 2.108,898 3.729,899 1.55,900 0.99,901 3.611,902 10.509,903 3.497,904 4.139,905 4.791,906 5.394,907 5.925,908 6.214,909 6.611,910 7.01,911 7.244,912 7.634,913 1,914 31,915 7.684,917 3.13,918 7.563,919 14.797,921 11.652,924 2.063,925 43.333,926 0.001,929 200.109,930 112.7,931 55.135,936 112.7,937 200.109,938 55.135,939 25.189,941 75.81,942 16.786,943 14.58,944 35.47,945 200.109,947 200.109,948 167.835,952 200.109,956 5.942,957 111.781,958 50.112,960 200.109,961 55.135,962 112.7,965 200.109,966 11.701,967 106.023,969 50.112,970 200.109,971 55.135,972 112.7,973 0.585,974 0.343,975 0.175,976 0.091,977 16,978 7,979 0.075,980 3,981 1,982 1.133,983 3.411,984 156.717,985 0.133,986 15,987 86.239,993 13.624,994 5.565,995 2.749,996 1.978,997 53.236,998 15.879,999 4.467,1003 2.553,1004 1.938,1006 367.944,1007 32,1016 8.507,1020 37.811,1021 42.983,1022 0.272,1023 0.582,1024 0.696,1025 0.838,1026 0.848,1027 0.848,1028 4.71,1029 1,1030 5.541,1031 2.939,1032 4.174,1033 4.824,1034 0.673,1035 6.34,1036 4.081,1037 5.935,1038 0.851,1039 7.099,1040 2.275,1041 3.761,1042 4.62,1043 0.325,1044 7.235,1045 3.576,1046 7.245,1047 0.543,1048 8.758,1049 2.048,1050 5.759,1051 7.101,1052 0.379,1053 10.314,1054 5.561,1055 8.597,1056 -0.235,1057 10.476,1058 1.311,1059 6.176,1060 7.775,1061 0.268,1062 12.056,1063 5.877,1064 9.983,1065 -0.562,1066 12.232,1067 -0.575,1068 7.646,1069 9.696,1070 0.239,1071 14.654,1072 7.335,1073 11.394,1074 -0.819,1075 14.014,1076 -1.27,1077 8.444,1078 10.801,1079 0.188,1080 16.753,1081 8.035,1082 12.826,1083 -1,1084 15.816,1085 -2,1086 9.704,1087 12.482,1088 0.156,1089 19.194,1090 9.269,1091 3.164,1092 -1,1093 17.632,1094 -2.006,1095 10.682,1096 13.802,1097 0.125,1098 21.448,1099 10.158,1100 2.784,1101 10.73,1102 19.46,1103 -2.862,1104 11.859,1105 15.381,1106 0.102,1107 23.838,1108 11.296,1109 2.392,1110 8.228,1111 21.298,1112 4.57,1113 12.921,1114 16.805,1115 0.082,1116 26.158,1117 12.277,1118 2.165,1119 7.035,1120 23.145,1121 3.711,1122 14.068,1123 18.343,1124 0.066,1125 28.534,1126 13.374,1127 1.717,1128 6.618,1129 24.998,1130 3.129,1131 15.169,1132 19.816,1133 0.054,1134 30.882,1135 14.402,1136 1.406,1137 5.056,1138 26.858,1139 2.888,1140 16.308,1141 21.338,1142 0.043,1143 33.254,1144 15.483,1145 1.273,1146 3.073,1147 28.722,1148 2.465,1149 17.429,1150 22.834,1151 0.035,1152 35.615,1153 16.535,1154 4553,1155 7108,1156 15.315,1157 25.597,1158 35.317,1159 34.442,1160 35.76,1161 34.664,1162 34.588,1163 47.75,1164 1.6,1165 98.627,1166 33.016,1167 5.262,1168 5.224,1169 6.362,1170 5.147,1171 5.164,1172 7.57,1173 1.2,1174 17.72,1175 4.972,1176 9.961,1177 1.536,1178 1.497,1179 1.555,1180 1.507,1181 1.504,1182 2.076,1183 0.07,1184 4.288,1185 1.435,1186 4.114,1187 4.16,1188 4.085,1189 3.984,1190 5.131,1191 4.001,1192 3.919,1193 3.958,1194 3.861,1195 3.835,1196 4.85,1197 3.836,1198 3.502,1199 3.581,1200 3.414,1201 3.298,1202 4.57,1203 3.318,1204 3.422,1205 3.502,1206 3.277,1207 3.207,1208 4.252,1209 3.211,1210 3.075,1211 3.176,1212 2.935,1213 2.848,1214 4.088,1215 2.851,1216 2.915,1217 3.009,1218 2.819,1219 2.735,1220 3.937,1221 2.732,1222 2.874,1223 2.989,1224 2.687,1225 2.715,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.559,1231 2.625,1232 3.524,1233 2.597,1234 0.201,1235 0.14,1236 0.29,1237 0.178,1238 0.138,1239 4.614,1240 0.199,1241 3.224,1242 0.035,1243 6.681,1244 0.467,1245 4.102,1246 0.129,1247 3.164,1248 4.57,1249 0.8,1250 10.73,1251 2.972,1252 1.919,1253 1.889,1254 2.019,1255 2.028,1256 1.128,1257 2.026,1258 1.898,1259 1.866,1260 2.008,1261 2.01,1262 1.1,1263 2.012,1264 1.512,1265 1.434,1266 1.722,1267 1.785,1268 0.775,1269 1.76,1270 1.406,1271 1.314,1272 1.689,1273 1.66,1274 0.748,1275 1.679,1276 1.051,1277 0.976,1278 1.417,1279 1.319,1280 0.469,1281 1.311,1282 0.934,1283 0.821,1284 1.249,1285 1.239,1286 0.255,1287 1.308,1288 0.886,1289 0.804,1290 1.181,1291 1.085,1292 0.218,1293 1.107,1294 0.859,1295 0.791,1296 1.067,1297 1.062,1298 0.15,1299 1.083,1300 3.85,1302 5.165,1303 2.398,1304 6.673,1305 4.844,1306 8.263,1307 7.018,1308 9.895,1310 5.963,1321 2.048,1326 24.268,1327 54.325,1328 116.137,1329 138.892,1330 167.157,1331 169.157,1332 169.157,1333 21.738,1334 6.78,1335 45.78,1336 45.78,1337 17,1338 12.2,1339 4.17,1340 3.322,1341 32.46,1342 74,1343 65,1344 0.219,1345 152.62,1346 249.46,1347 364.153,1348 7463,1350 14.82,1351 0.706,1352 0.588,1353 14.82,1354 12.355,1355 10.148,1356 0.441,1357 0.294,1358 6.645,1359 9.743,1360 6.363,1361 5.391,1362 10.148,1363 6.756,1364 9.165,1365 0.286,1366 0.158,1367 9.165,1368 5.07,1369 7.772,1370 0.185,1371 0.081,1372 7.772,1373 3.385,1374 6.148,1375 0.118,1376 0.041,1377 6.148,1378 2.142,1379 4.778,1380 0.077,1381 0.021,1382 4.778,1383 1.321,1384 0.347,1385 63.57,1386 0.256,1387 21.074,1388 0.586,1389 110,1390 298.226,1391 119.825,1392 297.865,1393 420.59,1394 280,1395 129,1396 327.561,1397 140.49,1398 336.19,1399 484.73,1400 313,1401 6.368}
{0 CHEMBL1383664,1 1.642,2 7.737,3 2.184,4 4.769,5 71.943,6 8.05,7 0.286,8 3.675,9 3.77,10 3.313,11 3.198,12 4.691,13 3.184,14 4.281,15 4.435,16 3.658,17 3.599,18 5.282,19 3.565,20 4.515,21 4.711,22 3.75,23 3.702,24 5.571,25 3.646,26 4.432,27 4.622,28 3.619,29 3.705,30 5.413,31 3.612,32 4.497,33 4.714,34 3.555,35 3.69,36 5.472,37 3.542,38 4.369,39 4.614,40 3.354,41 3.422,42 5.317,43 3.282,44 4.045,45 4.249,46 3.195,47 3.093,48 5.115,49 3.014,50 3.816,51 4.02,52 2.936,53 2.842,54 4.894,55 2.734,56 0.049,57 0.472,58 6.731,59 3.447,60 4.277,61 4.222,62 0.302,63 0.786,64 16.802,65 5.912,66 19.86,67 7.377,68 0.596,69 0.938,70 22.282,71 7.187,72 48.815,73 9.283,74 0.288,75 0.887,76 18.721,77 7.425,78 30.216,79 9.541,80 0.4,81 0.867,82 24.979,83 8.292,84 41.808,85 10.773,86 0.417,87 0.698,88 24.822,89 7.094,90 37.817,91 9.294,92 0.422,93 0.491,94 16.929,95 4.628,96 34.181,97 5.662,98 0.421,99 0.386,100 13.66,101 3.671,102 30.519,103 4.515,104 7,105 29,106 0.306,107 0.607,108 0.793,109 0.851,110 0.861,111 0.872,112 3.011,113 1.011,114 -3.07,115 -3.07,116 -2.96,120 40,122 2,126 4,128 1,143 3,144 1,145 2,159 1,174 4,176 1,177 5,185 3,188 1,189 8,197 4,201 6,209 3,213 1,214 3,222 4,226 1,227 3,235 2,239 1,240 1,247 1,251 1,252 1,264 1,274 398,275 13.146,276 13.146,277 13.146,278 13.146,279 13.146,280 12.316,281 19.646,282 7.751,283 13.555,284 10.297,285 10.297,286 10.297,287 10.297,288 10.297,289 8.877,290 25.255,291 3.561,292 10.99,293 3.487,294 1.875,295 0.879,296 0.571,297 0.514,298 0.457,299 3.691,300 1,305 1,306 1,307 1,308 316,309 2.55,312 46.898,313 84.918,317 72.23,320 1.147,321 20.982,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 41.833,333 147,334 4.356,335 3.809,336 6.673,337 4.095,338 3.134,339 3.948,340 2.116,341 10.737,342 3.01,343 4.083,344 3.29,345 6.166,346 3.782,347 2.845,348 3.293,349 0.86,350 9.131,351 2.658,352 3.595,353 3.036,354 5.606,355 3.28,356 2.301,357 2.843,358 0.86,359 7.163,360 2.228,361 2.942,362 2.207,363 4.556,364 2.698,365 1.723,366 2.062,367 0.825,368 4.52,369 1.664,370 2.921,371 2.134,372 4.386,373 2.53,374 1.618,375 1.971,376 0.316,377 4.216,378 1.469,379 2.473,380 1.894,381 3.701,382 2.323,383 1.4,384 1.471,386 3.013,387 1.278,388 2.035,389 1.79,390 3.584,391 1.882,392 0.917,393 0.995,395 2.268,396 0.879,397 1.924,398 1.145,399 3.383,400 1.801,401 0.88,402 0.901,404 2.017,405 0.778,406 1.784,407 1.075,408 3.154,409 1.523,410 0.618,411 0.707,413 1.479,414 0.554,415 1.454,416 0.903,417 2.549,418 0.888,419 0.145,420 0.169,422 0.198,423 0.083,424 0.835,425 0.044,426 2.353,427 0.523,428 -0.422,429 -0.492,431 -1.029,432 -0.389,433 0.686,434 -0.072,435 2.162,436 0.311,437 -0.618,438 -0.729,440 -1.598,441 -0.565,442 0.199,443 -0.29,444 2,445 -0.029,446 -1,447 -1.115,449 -2.47,450 -0.954,451 0.144,452 -0.679,453 1.668,454 -0.16,455 -1.138,456 -1.435,458 -2.912,459 -1.118,460 -0.225,461 -1.009,462 1.521,463 -0.48,464 -1.383,465 -1.579,467 -3.131,468 -1.264,469 9.114,470 0.48,471 0.38,472 0.02,473 21.25,474 1.118,475 8.5,476 0.447,477 12.75,478 0.671,479 15.698,480 0.826,481 21.486,482 0.614,483 13.255,484 0.698,485 3.99,486 0.21,487 5.302,488 0.279,489 0.115,491 0.318,496 0.728,497 1.443,498 0.595,499 1.119,500 0.54,501 0.987,502 1.064,503 1.15,504 0.926,505 1.022,506 0.709,507 0.97,508 0.958,509 0.904,510 0.714,511 0.856,512 0.856,513 0.891,514 0.868,515 1.146,516 0.768,517 1.029,518 1.122,519 1.076,520 0.866,521 1.084,522 1.142,523 1.135,524 1.155,525 1.172,526 0.992,527 0.922,528 1.148,529 1.021,530 1.018,531 0.97,532 1.449,533 0.9,534 1.194,535 0.916,536 1.101,537 0.925,538 1.248,539 0.88,540 1.174,541 1.008,542 0.883,543 1.068,544 3,545 0.012,546 2.444,547 0.868,548 1.136,549 0.483,550 0.284,551 0.2,552 0.084,553 0.041,554 3122,555 9638,556 2.113,557 45.7,559 12,564 4,567 1.605,568 2,569 2.979,570 -0.724,572 1,573 1,574 1,575 57.467,576 1.642,577 3.255,578 4.251,579 4.558,580 4.615,581 4.672,582 2.439,583 4.248,584 4.221,585 3.045,586 520.682,587 7.2,588 4989.82,589 1,590 1,592 1,593 179.525,594 1.324,595 4.189,596 0.143,597 0.012,598 0.084,599 0.03,600 0.044,601 0.023,602 0.017,603 0.014,604 0.009,605 0.01,606 0.387,607 0.83,608 1,609 1.013,610 81.154,611 -0.026,612 -0.236,613 0.037,614 -0.111,615 -0.002,616 -0.026,617 -0.106,618 -0.039,619 -0.1,620 -0.064,621 -0.036,622 -0.039,623 0.044,624 0.14,625 0.04,626 0.056,627 0.069,628 0.036,629 -0.089,630 -0.111,631 -0.043,632 -0.068,633 -0.122,634 -0.103,635 -0.05,636 -0.13,637 -0.119,638 -0.131,639 -0.116,640 -0.167,641 -0.022,642 -0.048,643 -0.006,644 -0.032,645 -0.042,646 0.033,647 -0.097,648 0.003,649 -0.058,650 0.038,651 0.012,652 0.007,653 0.087,654 0.017,655 -0.062,656 -0.058,657 0.146,658 -0.136,659 1.668,660 4.825,661 0.789,662 11.734,663 1.014,664 1.125,665 1.845,666 3.402,667 0.666,668 3.091,669 3.401,670 3.714,671 3.97,672 4.143,673 4.174,674 4.277,675 4.394,676 4.431,677 4.22,678 4.612,679 0.635,680 281.76,681 3.091,682 4.615,683 5.476,684 6.354,685 7.233,686 8.118,687 9.002,688 9.889,689 10.775,690 11.663,691 2.9,698 1,709 3,714 3,716 6,735 2,738 35,739 7,740 1,741 21,743 37,744 14,745 6,746 3,747 3,750 1,752 3,753 4,754 1,759 1,763 3,766 3,768 7,769 7,772 1,778 1,782 1,785 1,786 1,789 16,790 4,792 5,793 1,797 1,803 0.667,804 3,819 1,822 1,823 2,827 1,839 1,855 2,860 1,862 19,869 6,872 2,874 1,875 1,885 1,886 8.6,889 1,891 2,893 9.5,894 6.176,895 4.278,896 2.212,898 1.3,899 1.195,900 0.958,901 3.845,902 7.955,903 3.258,904 3.75,905 4.252,906 4.717,907 5.19,908 5.357,909 5.62,910 5.85,911 5.968,912 5.655,913 1,914 29,915 7.063,917 3.03,918 7.769,919 13.632,921 11.435,924 2.269,925 43.111,926 0.001,929 188.338,930 66.015,931 3.124,932 39.149,933 47.145,936 66.015,937 274.631,938 3.124,940 22.333,941 28.429,942 29.85,943 35.672,945 227.486,947 188.338,948 69.139,949 47.145,950 39.149,952 141.253,953 94.229,956 22.333,957 46.806,958 39.149,960 188.338,961 50.269,962 105.164,965 188.338,966 37.586,967 31.553,969 86.293,970 188.338,971 50.269,972 105.164,973 0.574,974 0.354,975 0.194,976 0.1,977 15,978 6,979 0.027,980 1,981 1,982 1.133,983 3.138,984 142.586,985 0.133,986 15,987 80.711,993 13.067,994 5.592,995 2.538,997 50.269,998 5.919,1003 2.65,1006 343.77,1007 25,1013 11.825,1017 -0.001,1020 35.476,1021 39.392,1022 0.32,1023 0.635,1024 0.829,1025 0.889,1026 0.9,1027 0.911,1028 4.505,1029 0.88,1030 5.451,1031 2.268,1032 4.078,1033 4.431,1034 2.589,1035 6.275,1036 3.962,1037 5.657,1038 0.618,1039 7.017,1040 2.017,1041 3.611,1042 4.182,1043 1.668,1044 7.222,1045 3.492,1046 6.946,1047 0.145,1048 8.688,1049 1.479,1050 5.673,1051 6.471,1052 3.48,1053 10.337,1054 5.465,1055 8.272,1056 -0.422,1057 10.422,1058 0.198,1059 6.089,1060 7.062,1061 3.401,1062 12.13,1063 5.857,1064 9.635,1065 -0.618,1066 12.197,1067 -1.029,1068 7.578,1069 8.836,1070 4.746,1071 14.745,1072 7.283,1073 11.019,1074 -1,1075 13.998,1076 -1.598,1077 8.385,1078 9.792,1079 5.04,1080 16.863,1081 8.053,1082 12.42,1083 -1.138,1084 15.818,1085 -2.47,1086 9.651,1087 11.363,1088 6.143,1089 19.31,1090 9.269,1091 3.134,1092 -1.383,1093 17.652,1094 -2.912,1095 10.633,1096 12.499,1097 6.621,1098 21.563,1099 10.209,1100 2.845,1101 10.737,1102 19.495,1103 -3.131,1104 11.809,1105 13.976,1106 7.586,1107 23.952,1108 11.343,1109 2.301,1110 9.131,1111 21.345,1112 3.948,1113 12.869,1114 15.21,1115 8.169,1116 26.264,1117 12.36,1118 1.723,1119 7.163,1120 23.201,1121 3.293,1122 14.011,1123 16.638,1124 9.052,1125 28.633,1126 13.463,1127 1.618,1128 4.52,1129 25.062,1130 2.843,1131 15.107,1132 17.928,1133 9.698,1134 30.972,1135 14.517,1136 1.4,1137 4.216,1138 26.927,1139 2.062,1140 16.237,1141 19.33,1142 10.53,1143 33.337,1144 15.609,1145 0.917,1146 3.013,1147 28.796,1148 1.971,1149 17.35,1150 20.653,1151 11.215,1152 35.69,1153 16.681,1154 3069,1155 5456,1156 14.216,1157 23.318,1158 31.323,1159 33.084,1160 32.701,1161 31.11,1162 31.161,1163 36.72,1164 9.954,1165 89.485,1166 29.201,1167 5.3,1168 5.809,1169 6.36,1170 5.235,1171 5.134,1172 6.948,1173 3.785,1174 17.835,1175 5.01,1176 7.397,1177 1.492,1178 1.575,1179 1.557,1180 1.481,1181 1.484,1182 1.749,1183 0.474,1184 4.261,1185 1.391,1186 4.012,1187 4.04,1188 3.967,1189 3.91,1190 7.427,1191 3.915,1192 3.784,1193 3.82,1194 3.812,1195 3.616,1196 4.947,1197 3.626,1198 3.454,1199 3.493,1200 3.591,1201 3.271,1202 4.662,1203 3.272,1204 3.395,1205 3.441,1206 3.276,1207 3.224,1208 4.387,1209 3.218,1210 2.943,1211 3,1212 2.938,1213 2.802,1214 4.216,1215 2.792,1216 2.835,1217 2.898,1218 2.815,1219 2.688,1220 4.115,1221 2.679,1222 2.724,1223 2.815,1224 2.679,1225 2.49,1226 3.458,1227 2.47,1228 2.548,1229 2.607,1230 2.39,1231 2.286,1232 3.358,1233 2.289,1234 0.207,1235 0.181,1236 0.318,1237 0.195,1238 0.149,1239 4.356,1240 0.188,1241 3.809,1242 0.101,1243 6.673,1244 0.511,1245 4.095,1246 0.143,1247 3.134,1248 3.948,1249 2.116,1250 10.737,1251 3.01,1252 1.921,1253 1.905,1254 2.02,1255 2.04,1256 1.277,1257 2.031,1258 1.572,1259 1.514,1260 1.834,1261 1.801,1262 1.127,1263 1.795,1264 1.547,1265 1.505,1266 1.729,1267 1.75,1268 0.993,1269 1.766,1270 1.376,1271 1.323,1272 1.605,1273 1.579,1274 0.826,1275 1.6,1276 1.137,1277 1.074,1278 1.392,1279 1.346,1280 0.652,1281 1.381,1282 0.856,1283 0.806,1284 1.121,1285 1.079,1286 0.193,1287 1.087,1288 0.625,1289 0.575,1290 0.907,1291 0.836,1292 0.095,1293 0.857,1294 0.409,1295 0.31,1296 0.882,1297 0.779,1298 0.055,1299 0.817,1300 3.761,1302 5.069,1303 2.398,1304 6.589,1305 4.595,1306 8.204,1307 6.605,1308 9.867,1311 5.664,1315 3.98,1318 11.101,1320 0.113,1321 1.86,1326 22.208,1327 57.467,1328 113.909,1329 148.77,1330 159.525,1331 161.525,1332 163.525,1333 29.254,1334 6.655,1335 38.77,1336 38.77,1337 17,1338 12.193,1339 3,1340 2.322,1341 27.723,1342 52,1343 50,1344 0.27,1345 138.289,1346 244.8,1347 329.186,1348 6002,1349 2.9,1350 13.242,1351 0.697,1352 0.598,1353 13.742,1354 11.358,1355 9.292,1356 0.442,1357 0.337,1358 6.478,1359 8.555,1360 6.332,1361 5.134,1362 9.646,1363 7.078,1364 8.022,1365 0.277,1366 0.174,1367 8.226,1368 5.049,1369 7.185,1370 0.18,1371 0.097,1372 7.507,1373 3.867,1374 5.91,1375 0.114,1376 0.056,1377 6.062,1378 2.909,1379 4.613,1380 0.074,1381 0.03,1382 4.76,1383 1.877,1384 0.407,1385 62.573,1386 0.265,1387 18.686,1388 0.788,1389 100,1390 323.055,1391 123.664,1392 323.534,1393 426.23,1394 306,1395 119,1396 280.146,1397 140.467,1398 281.835,1399 419.92,1400 266,1401 5.944}
{0 CHEMBL1383876,1 1.641,2 12.25,3 4.981,4 24.814,5 141.321,6 7.885,7 0.564,8 4.25,9 4.356,10 3.902,11 3.808,12 5.397,13 3.78,14 4.763,15 4.922,16 4.228,17 4.164,18 5.853,19 4.125,20 4.973,21 5.147,22 4.255,23 4.277,24 6.091,25 4.224,26 5.117,27 5.31,28 4.376,29 4.358,30 6.287,31 4.3,32 5.184,33 5.39,34 4.458,35 4.413,36 6.424,37 4.361,38 5.204,39 5.389,40 4.535,41 4.449,42 6.436,43 4.404,44 5.18,45 5.351,46 4.536,47 4.472,48 6.37,49 4.41,50 5.193,51 5.397,52 4.391,53 4.502,54 6.249,55 4.387,56 0.074,57 0.923,58 12.853,59 5.944,60 10.565,61 7.313,62 0.303,63 1.444,64 24.964,65 9.768,66 31.029,67 12.34,68 0.553,69 1.694,70 29.993,71 11.731,72 53.355,73 14.804,74 0.612,75 1.937,76 37.134,77 13.517,78 72.181,79 17.594,80 0.635,81 2.039,82 40.048,83 14.715,84 103.532,85 19.181,86 0.763,87 2.114,88 42.459,89 14.616,90 96.221,91 17.59,92 0.794,93 2.154,94 43.397,95 14.156,96 92.341,97 16.557,98 0.537,99 2.138,100 44.31,101 16.668,102 74.281,103 20.765,104 41,105 54,106 0.26,107 0.595,108 0.761,109 0.823,110 0.838,111 0.838,112 3.616,113 0.953,114 -3.55,115 -3.52,116 -3.36,120 42.2,121 3,123 1,125 1,126 1,128 1,143 10,144 2,145 2,147 1,152 1,153 2,159 2,167 1,174 12,176 1,177 7,180 1,182 1,185 14,188 4,189 5,192 1,194 2,197 11,200 3,201 7,204 1,206 3,209 4,213 2,214 15,217 1,219 3,222 2,226 2,227 19,230 2,232 3,235 5,239 2,240 14,243 1,245 1,247 10,251 1,252 13,257 1,260 15,263 1,264 13,269 2,271 17,274 2850,275 24.214,276 24.214,277 24.214,278 24.214,279 24.214,280 21.376,281 29.65,282 14.192,283 24.622,284 19.133,285 19.133,286 19.133,287 19.133,288 19.133,289 14.773,290 34.41,291 6.62,292 19.673,293 4.359,294 2.239,295 1.191,296 0.797,297 0.703,298 0.703,299 4.304,307 1,308 937,309 4.637,312 245.853,313 288.792,320 1.611,321 39.825,324 0.75,325 0.83,326 0.67,327 0.7,328 0.5,329 0.83,330 1,331 0.75,332 78,333 441,334 4.485,335 3.963,336 7.043,337 4.253,338 3.288,339 3.926,340 2.089,341 12.073,342 3.172,343 4.155,344 3.592,345 6.209,346 3.802,347 2.808,348 3.734,349 1.22,350 9.061,351 2.789,352 4.067,353 3.004,354 5.931,355 3.731,356 2.737,357 3.635,358 0.86,359 8.22,360 2.717,361 4.036,362 2.931,363 5.67,364 3.628,365 2.651,366 3.629,367 0.694,368 7.467,369 2.593,370 3.813,371 2.88,372 5.487,373 3.446,374 2.465,375 3.161,376 0.488,377 7.351,378 2.418,379 3.624,380 2.641,381 5.304,382 3.295,383 2.317,384 2.885,385 0.057,386 6.617,387 2.259,388 3.461,389 2.566,390 5.104,391 3.118,392 2.156,393 2.741,395 6.237,396 2.057,397 3.19,398 2.234,399 4.692,400 2.747,401 1.761,402 2.393,404 4.796,405 1.727,406 3.053,407 2.185,408 4.607,409 2.67,410 1.678,411 2.191,413 4.502,414 1.647,415 2.548,416 1.528,417 3.934,418 2.273,419 1.284,420 1.552,422 3.028,423 1.265,424 2.5,425 1.336,426 3.754,427 2,428 1.012,429 1.5,431 2.589,432 1,433 2.5,434 1.162,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.329,443 1.036,444 3.414,445 1.981,446 1,447 1.271,449 2.275,450 0.977,451 2.225,452 1,453 3.374,454 1.756,455 0.781,456 1.08,458 1.835,459 0.756,460 2.118,461 1,462 3.264,463 1.678,464 0.706,465 0.927,467 1.623,468 0.682,469 17.267,470 0.48,471 0.891,472 0.025,473 46.5,474 1.292,475 24,476 0.667,477 22.5,478 0.625,479 34.319,480 0.953,481 38.533,482 0.602,483 41.011,484 1.139,485 9.272,486 0.258,487 8.095,488 0.225,489 0.154,491 0.342,496 0.709,497 1.237,498 0.724,499 1.062,500 0.591,501 0.956,502 0.862,503 1.134,504 0.779,505 0.964,506 0.616,507 0.884,508 1.104,509 1.002,510 0.851,511 0.912,512 1.033,513 1.006,514 0.938,515 1.114,516 0.792,517 1.002,518 1.216,519 1.009,520 0.909,521 1.037,522 0.672,523 0.86,524 1.084,525 0.847,526 1.414,527 0.983,528 0.923,529 0.847,530 1.591,531 0.84,532 1.447,533 1.026,534 1.185,535 1.022,536 1.645,537 0.995,538 0.84,539 1.021,540 1.105,541 1.081,542 0.894,543 1.047,544 7,545 0.29,546 4.222,547 2.5,548 2.444,549 1.625,550 0.953,551 0.896,552 0.668,553 0.378,554 17329,555 48381,556 2.04,557 43.8,558 7,559 16,560 1,562 1,563 3,567 1.784,568 1.895,569 3.461,570 -0.355,575 105.012,576 1.641,577 3.761,578 4.809,579 5.203,580 5.297,581 5.297,582 2.961,583 4.593,584 5.134,585 3.676,586 2315.96,587 9.089,588 36018.3,593 384,594 1.459,595 5.092,596 0.179,597 0.007,598 0.078,599 0.045,600 0.041,601 0.025,602 0.014,603 0.014,604 0.011,605 0.007,606 0.422,607 0.33,608 0.88,609 0.806,610 193.311,611 0.028,612 -0.104,613 0.082,614 -0.063,615 -0.038,616 -0.01,617 0.051,618 -0.071,619 0.095,620 0.004,621 0.049,622 0.069,623 -0.005,624 0.012,625 -0.064,626 -0.032,627 -0.044,628 -0.076,629 0.101,630 -0.119,631 0.05,632 -0.102,633 0.033,634 -0.059,635 0.141,636 -0.063,637 0.184,638 0.04,639 0.237,640 0.113,641 -0.09,642 0.044,643 0.051,644 0.098,645 -0.046,646 0.082,647 -0.181,648 0.071,649 -0.121,650 -0.014,651 -0.202,652 -0.079,653 -0.023,654 -0.004,655 -0.069,656 -0.028,657 -0.007,658 -0.041,659 2.393,660 6.691,661 0.611,662 39.889,663 1.006,664 1.121,665 2.315,666 5.361,667 0.682,668 3.689,669 4.007,670 4.277,671 4.522,672 4.7,673 4.812,674 4.942,675 5.043,676 5.075,677 5.004,678 7.103,679 0.648,680 504.66,681 3.689,682 5.231,683 6.08,684 6.956,685 7.826,686 8.709,687 9.59,688 10.479,689 11.366,690 12.258,691 6.3,698 2,701 2,709 11,710 2,712 1,713 1,714 7,716 22,724 1,735 1,738 64,739 24,740 2,741 39,743 67,744 27,745 18,746 4,747 8,748 1,752 4,753 4,759 3,766 1,768 20,769 7,770 1,772 2,778 2,782 2,788 1,789 28,790 8,791 1,792 9,793 1,797 4,803 1,804 4,822 2,823 2,838 1,855 4,857 1,859 4,862 36,869 1,871 1,872 1,874 2,875 1,886 6.3,889 2,891 2,893 19,894 12.767,895 8.028,896 3.734,898 2.063,899 1.279,900 0.958,901 8.418,902 9.468,903 3.97,904 4.538,905 5.074,906 5.589,907 5.951,908 6.136,909 6.423,910 6.72,911 6.979,912 7.14,913 1,914 55,915 13.382,917 5.682,918 7.792,919 25.184,921 20.191,924 2.292,925 82.5,929 317.82,930 210.363,931 52.652,933 70.797,935 31.052,936 179.311,937 388.617,938 52.652,939 37.359,940 23.241,941 102.412,942 91.216,943 37.635,944 22.669,945 337.101,947 317.82,948 231.963,949 70.797,950 31.052,952 317.82,953 70.797,956 52.473,957 147.973,958 31.517,959 31.052,960 317.82,961 123.449,962 210.363,965 317.82,966 70.593,967 142.895,968 18.011,969 102.314,970 317.82,971 123.449,972 210.363,973 0.58,974 0.343,975 0.18,976 0.095,977 24,978 12,979 0.134,980 9,982 1,983 4.431,984 351.459,986 22,987 176.117,989 1,993 25.898,994 11.702,995 6.157,997 123.449,998 20.06,999 7.8,1001 5.876,1002 1.075,1003 4.435,1005 18.011,1006 651.631,1007 52,1013 27.381,1017 -0.829,1020 64.396,1021 71.733,1022 0.273,1023 0.627,1024 0.801,1025 0.867,1026 0.883,1027 0.883,1028 5.201,1029 1.761,1030 6.066,1031 6.237,1032 4.691,1033 5.226,1034 2.636,1035 6.878,1036 4.643,1037 6.399,1038 1.678,1039 7.63,1040 4.796,1041 4.29,1042 4.924,1043 1.858,1044 7.823,1045 4.239,1046 7.694,1047 1.284,1048 9.295,1049 4.502,1050 6.286,1051 7.343,1052 3.45,1053 10.933,1054 6.192,1055 9.024,1056 1.012,1057 11.022,1058 3.028,1059 6.723,1060 7.854,1061 3.49,1062 12.758,1063 6.613,1064 10.383,1065 1,1066 12.79,1067 2.589,1068 8.17,1069 9.705,1070 4.644,1071 15.418,1072 8.028,1073 11.763,1074 1,1075 14.589,1076 2.275,1077 8.98,1078 10.587,1079 5.049,1080 17.623,1081 8.81,1082 13.158,1083 0.781,1084 16.41,1085 2.275,1086 10.226,1087 12.192,1088 6,1089 20.152,1090 10.027,1091 3.288,1092 0.706,1093 18.251,1094 1.835,1095 11.214,1096 13.267,1097 6.57,1098 22.524,1099 10.981,1100 2.808,1101 12.073,1102 20.107,1103 1.623,1104 12.39,1105 14.75,1106 7.421,1107 25.018,1108 12.125,1109 2.737,1110 9.061,1111 21.976,1112 3.926,1113 13.466,1114 15.932,1115 8.071,1116 27.458,1117 13.162,1118 2.651,1119 8.22,1120 23.857,1121 3.734,1122 14.623,1123 17.351,1124 8.869,1125 29.945,1126 14.284,1127 2.465,1128 7.467,1129 25.748,1130 3.635,1131 15.744,1132 18.594,1133 9.559,1134 32.414,1135 15.365,1136 2.317,1137 7.351,1138 27.648,1139 3.629,1140 16.901,1141 19.978,1142 10.329,1143 34.9,1144 16.483,1145 2.156,1146 6.617,1147 29.555,1148 3.161,1149 18.048,1150 21.259,1151 11.041,1152 37.381,1153 17.589,1154 16812,1155 28370,1156 25.66,1157 43.625,1158 59.177,1159 60.226,1160 60.488,1161 58.047,1162 58.166,1163 76.096,1164 10.817,1165 165.96,1166 56.72,1167 5.423,1168 5.963,1169 6.639,1170 5.313,1171 5.288,1172 6.926,1173 3.629,1174 19.52,1175 5.172,1176 19.819,1177 1.517,1178 1.544,1179 1.551,1180 1.488,1181 1.491,1182 1.951,1183 0.277,1184 4.255,1185 1.454,1186 4.038,1187 4.063,1188 4.183,1189 3.931,1190 7.433,1191 3.935,1192 3.917,1193 3.944,1194 3.962,1195 3.846,1196 7.423,1197 3.844,1198 3.892,1199 3.908,1200 3.852,1201 3.776,1202 5.045,1203 3.788,1204 3.779,1205 3.804,1206 3.832,1207 3.703,1208 4.982,1209 3.657,1210 3.565,1211 3.615,1212 3.521,1213 3.407,1214 4.866,1215 3.401,1216 3.477,1217 3.537,1218 3.356,1219 3.29,1220 4.728,1221 3.301,1222 3.287,1223 3.343,1224 3.205,1225 3.076,1226 4.396,1227 3.08,1228 3.141,1229 3.218,1230 3.097,1231 2.882,1232 4.147,1233 2.886,1234 0.115,1235 0.102,1236 0.181,1237 0.109,1238 0.084,1239 4.485,1240 0.101,1241 3.963,1242 0.054,1243 7.043,1244 0.31,1245 4.253,1246 0.081,1247 3.288,1248 3.926,1249 2.089,1250 12.073,1251 3.172,1252 1.949,1253 1.921,1254 2.072,1255 2.053,1256 1.26,1257 2.056,1258 1.905,1259 1.88,1260 2.021,1261 2.005,1262 1.157,1263 2.012,1264 1.678,1265 1.648,1266 1.829,1267 1.862,1268 1.025,1269 1.847,1270 1.555,1271 1.515,1272 1.774,1273 1.725,1274 0.866,1275 1.737,1276 1.493,1277 1.448,1278 1.703,1279 1.686,1280 0.817,1281 1.7,1282 1.43,1283 1.408,1284 1.591,1285 1.605,1286 0.672,1287 1.594,1288 1.303,1289 1.252,1290 1.485,1291 1.556,1292 0.596,1293 1.549,1294 1.148,1295 1.077,1296 1.469,1297 1.443,1298 0.548,1299 1.453,1300 4.369,1302 5.687,1303 3.045,1304 7.186,1305 5.209,1306 8.769,1307 7.125,1308 10.401,1310 7.591,1315 0.269,1317 2.957,1318 5.204,1320 -0.738,1321 1.419,1326 41.453,1327 105.012,1328 240.727,1329 307.761,1330 332.98,1331 338.98,1332 338.98,1333 83.486,1334 7.404,1335 97.56,1336 125.8,1337 22,1338 12.787,1339 4.644,1340 3.807,1341 61.478,1342 141,1343 210,1344 0.197,1345 259.354,1346 448.61,1347 624.585,1348 13723,1350 25.656,1351 0.713,1352 0.595,1353 26.01,1354 21.412,1355 17.367,1356 0.445,1357 0.318,1358 11.451,1359 16.197,1360 10.966,1361 9.198,1362 17.867,1363 12.383,1364 15.505,1365 0.287,1366 0.171,1367 16.003,1368 9.238,1369 13.009,1370 0.183,1371 0.089,1372 13.524,1373 6.303,1374 10.466,1375 0.115,1376 0.046,1377 11.077,1378 4.218,1379 7.865,1380 0.072,1381 0.024,1382 8.19,1383 2.601,1384 0.303,1385 114.199,1386 0.197,1387 32.448,1388 0.564,1389 186,1390 583.071,1391 224.923,1392 578.122,1393 784.65,1394 540,1395 218,1396 562.98,1397 254.406,1398 583.403,1399 842.36,1400 545,1401 4.133}
{0 CHEMBL1384253,1 1.555,2 7.095,3 2.543,4 6.468,5 76.904,6 8.332,7 0.478,8 3.647,9 3.73,10 3.3,11 3.232,12 4.875,13 3.237,14 4.164,15 4.29,16 3.703,17 3.614,18 5.427,19 3.615,20 4.356,21 4.49,22 3.86,23 3.73,24 5.772,25 3.744,26 4.411,27 4.523,28 3.902,29 3.727,30 5.873,31 3.752,32 4.407,33 4.519,34 3.731,35 3.618,36 5.857,37 3.644,38 4.344,39 4.489,40 3.5,41 3.483,42 5.831,43 3.452,44 4.257,45 4.487,46 2.972,47 3.25,48 5.556,49 3.115,50 3.951,51 4.255,52 2.314,53 2.891,54 4.834,55 2.67,56 0.076,57 0.443,58 5.296,59 3.131,60 9.624,61 3.409,62 0.282,63 0.719,64 11.159,65 5.315,66 33.181,67 6.11,68 0.414,69 0.863,70 14.274,71 6.138,72 63.482,73 6.923,74 0.407,75 0.879,76 14.45,77 6.494,78 53.192,79 6.964,80 0.522,81 0.836,82 15.642,83 6.151,84 82.591,85 5.669,86 0.558,87 0.808,88 14.975,89 5.879,90 87.231,91 6.302,92 0.581,93 0.731,94 16.945,95 5.86,96 88.874,97 7.393,98 0.28,99 0.534,100 14.236,101 4.915,102 45.007,103 7.043,104 29,105 34,106 0.284,107 0.635,108 0.792,109 0.835,110 0.857,111 0.867,112 3.106,113 0.866,114 -2.88,115 -2.89,116 -2.8,120 47.1,121 2,126 1,143 4,144 4,153 2,158 2,159 1,174 8,176 1,177 4,182 3,185 10,188 1,189 6,192 1,194 1,197 8,201 11,204 3,206 2,209 5,214 9,219 2,222 4,226 2,227 6,232 2,235 4,239 2,240 2,247 3,252 1,260 2,264 1,271 1,274 511,275 14.044,276 14.044,277 14.044,278 14.044,279 14.044,280 12.468,281 8.515,282 8.117,283 14.248,284 11.262,285 11.262,286 11.262,287 11.262,288 11.262,289 8.621,290 5.993,291 3.707,292 11.436,293 3.533,294 1.61,295 0.75,296 0.515,297 0.397,298 0.339,299 3.777,305 1,306 1,307 1,308 314,309 3,312 32.526,313 77.59,316 57.926,317 66.081,320 0.975,321 34.739,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46.5,333 149,334 4.784,335 3.904,336 7.208,337 4.437,338 3.437,339 4.522,340 1.674,341 12.703,342 3.44,343 4.242,344 3.692,345 6.506,346 3.894,347 2.884,348 3.804,350 9.968,351 2.903,352 3.853,353 3.019,354 6.003,355 3.473,356 2.461,357 3.254,359 8.265,360 2.485,361 3.538,362 2.939,363 5.692,364 3.173,365 2.176,366 2.771,368 7.083,369 2.151,370 3.209,371 2.451,372 4.89,373 2.832,374 1.862,375 2.406,377 5.198,378 1.791,379 2.951,380 1.863,381 4.314,382 2.486,383 1.489,384 2.12,386 3.48,387 1.482,388 2.577,389 1.813,390 4.06,391 2.097,392 1.155,393 1.58,395 2.854,396 1.086,397 2.438,398 1.429,399 3.65,400 2.068,401 1.072,402 1.401,404 2.696,405 1.055,406 2.191,407 1.318,408 3.319,409 1.726,410 0.721,411 0.924,413 1.365,414 0.713,415 2.05,416 1.111,417 3.013,418 1.499,419 0.396,420 0.656,422 0.926,423 0.431,424 1.05,425 0.325,426 2.641,427 0.718,428 -0.284,429 -0.332,431 -0.648,432 -0.281,433 0.712,434 0.051,435 2.334,436 0.395,437 -0.593,438 -0.724,440 -1.019,441 -0.581,442 0.641,443 -0.176,444 2,445 0.315,446 -0.697,447 -0.88,449 -1.699,450 -0.698,451 0.563,452 -0.645,453 2,454 0.148,455 -0.863,456 -1.256,458 -2.112,459 -0.873,460 0.396,461 -0.714,462 1.909,463 -0.042,464 -1.072,465 -1.525,467 -2.929,468 -1.091,469 9.733,470 0.463,471 0.614,472 0.029,473 27.75,474 1.321,475 14.5,476 0.69,477 13.25,478 0.631,479 15.215,480 0.725,481 22.067,482 0.649,483 21.247,484 1.012,485 5.658,486 0.269,487 4.4,488 0.21,489 0.205,491 0.462,496 0.64,497 1.074,498 0.663,499 0.98,500 0.537,501 0.854,502 0.678,503 0.987,504 0.631,505 0.86,506 0.553,507 0.76,508 0.856,509 0.893,510 0.7,511 0.82,512 0.722,513 0.732,514 1.044,515 1.12,516 0.833,517 1.104,518 1.198,519 0.96,520 1.768,521 1.093,522 1.281,523 1.04,524 1.736,525 1.033,526 1.209,527 1.253,528 1.35,529 1.288,530 1.177,531 1.336,532 0.907,533 0.932,534 1.289,535 1.054,536 0.877,537 1.222,538 0.569,539 0.828,540 0.947,541 0.937,542 0.631,543 1.029,544 3.5,546 2.889,547 2.569,548 2.104,549 1.143,550 0.462,551 0.205,552 0.078,553 0.016,554 3414,555 11116,556 2.018,557 38.2,559 6,562 1,563 3,564 3,567 1.643,568 1.826,569 2.802,570 -0.291,572 1,574 1,575 52.868,576 1.555,577 3.477,578 4.337,579 4.572,580 4.69,581 4.749,582 2.226,583 4.202,584 4.362,585 2.886,586 606.143,587 7.534,588 6117.7,589 1,590 1,592 1,593 172.974,594 1.545,595 4.289,596 0.152,598 0.085,599 0.066,600 0.054,601 0.036,602 0.02,603 0.017,604 0.013,605 0.008,606 0.451,607 0.67,608 1,609 1.33,610 90.874,611 -0.043,612 -0.008,613 0.028,614 0.007,615 -0.052,616 0.033,617 0.083,618 0.03,619 0.196,620 0.127,621 0.047,622 0.177,623 0.054,624 0.141,625 0.177,626 0.142,627 0.113,628 0.186,629 0.02,630 -0.121,631 0.048,632 -0.148,633 -0.055,634 -0.073,635 -0.392,636 -0.121,637 -0.334,638 -0.1,639 -0.313,640 -0.181,641 -0.045,642 -0.267,643 -0.388,644 -0.354,645 0.004,646 -0.436,647 0.069,648 0.002,649 -0.193,650 -0.087,651 0.07,652 -0.179,653 0.08,654 0.033,655 0.228,656 0.086,657 0.044,658 0.172,659 2.289,660 5.192,661 0.619,662 13.492,663 1.021,664 1.113,665 1.654,666 2.737,667 0.688,668 3.178,669 3.555,670 3.932,671 4.29,672 4.564,673 4.718,674 4.812,675 4.86,676 4.796,677 4.625,678 4.307,679 0.678,680 283.3,681 3.178,682 4.745,683 5.645,684 6.575,685 7.504,686 8.445,687 9.383,688 10.327,689 11.269,690 12.214,691 2.9,699 1,709 4,711 1,714 6,716 11,721 2,726 1,738 34,739 14,740 1,741 23,743 36,744 16,745 10,746 2,747 4,748 3,752 3,753 6,759 2,768 13,769 3,772 3,778 3,782 3,785 1,786 1,789 13,790 4,791 1,792 5,797 1,803 0.333,804 4,818 1,822 1,823 2,826 1,827 1,855 1,859 2,862 21,869 1,872 1,886 11.8,889 3,891 1,893 11.5,894 7,895 4.667,896 2.188,898 2.519,899 1.359,900 0.99,901 3.169,902 9.542,903 3.481,904 4.107,905 4.789,906 5.425,907 5.958,908 6.356,909 6.717,910 7.013,911 7.263,912 7.414,913 0.8,914 39,915 7.843,917 3.514,918 8.143,919 14.331,921 11.829,924 2.643,925 55.5,929 141.253,930 95.862,931 16.786,933 86.435,936 95.862,937 227.688,938 16.786,939 17.65,940 4.592,941 37.905,942 92.893,943 40.528,944 5.513,945 141.253,947 141.253,948 112.647,949 86.435,952 105.94,953 121.748,956 39.028,957 73.619,960 141.253,961 103.22,962 95.862,965 141.253,966 40.306,967 55.555,968 16.786,969 86.435,970 141.253,971 103.22,972 95.862,973 0.587,974 0.372,975 0.221,976 0.125,977 18,978 9,979 0.083,980 3,981 2,982 1.308,983 3.083,984 175.17,985 0.308,986 13,987 92.239,993 13.624,994 4.884,995 1.904,997 86.435,998 6.784,1000 2.854,1003 2.38,1005 16.786,1006 340.335,1007 31.5,1013 36.46,1017 -1.679,1020 34.713,1021 37.827,1022 0.306,1023 0.683,1024 0.853,1025 0.899,1026 0.922,1027 0.933,1028 4.743,1029 1.072,1030 5.673,1031 2.854,1032 4.234,1033 4.792,1034 1.888,1035 6.605,1036 4.223,1037 5.987,1038 0.721,1039 7.311,1040 2.696,1041 4.007,1042 4.771,1044 7.743,1045 4.025,1046 7.333,1047 0.396,1048 9.054,1049 1.365,1050 5.932,1051 7.05,1052 2.817,1053 10.945,1054 5.924,1055 8.722,1056 -0.284,1057 10.857,1058 0.926,1059 6.538,1060 7.871,1062 12.907,1063 6.558,1064 10.146,1065 -0.593,1066 12.697,1067 -0.648,1068 7.977,1069 9.646,1070 3.808,1071 15.651,1072 7.979,1073 11.596,1074 -0.697,1075 14.561,1076 -1.019,1077 8.94,1078 10.837,1080 17.947,1081 8.959,1082 13.067,1083 -0.863,1084 16.445,1085 -1.699,1086 10.217,1087 12.43,1088 4.825,1089 20.546,1090 10.229,1091 3.437,1092 -1.072,1093 18.342,1094 -2.112,1095 11.331,1096 13.788,1098 22.981,1099 11.35,1100 2.884,1101 12.703,1102 20.25,1103 -2.929,1104 12.56,1105 15.316,1106 5.851,1107 25.534,1108 12.576,1109 2.461,1110 9.968,1111 22.167,1112 4.522,1113 13.736,1114 16.75,1116 28.028,1117 13.755,1118 2.176,1119 8.265,1120 24.091,1121 3.804,1122 14.955,1123 18.256,1124 6.88,1125 30.567,1126 14.972,1127 1.862,1128 7.083,1129 26.022,1130 3.254,1131 16.159,1132 19.725,1134 33.086,1135 16.177,1136 1.489,1137 5.198,1138 27.958,1139 2.771,1140 17.378,1141 21.225,1142 7.91,1143 35.624,1144 17.396,1145 1.155,1146 3.48,1147 29.899,1148 2.406,1149 18.595,1150 22.711,1152 38.154,1153 18.613,1154 3487,1155 6380,1156 14.74,1157 23.392,1158 36.276,1159 38.731,1160 38.178,1161 35.368,1162 35.308,1163 46.877,1164 3.349,1165 109.077,1166 35.074,1167 5.666,1168 5.904,1169 6.977,1170 5.455,1171 5.437,1172 7.522,1173 3.349,1174 20.703,1175 5.44,1176 11.977,1177 1.577,1178 1.684,1179 1.66,1180 1.538,1181 1.535,1182 2.038,1183 0.146,1184 4.742,1185 1.525,1186 4.12,1187 4.138,1188 4.098,1189 4.039,1190 7.497,1191 4.05,1192 3.775,1193 3.807,1194 3.718,1195 3.674,1196 7.432,1197 3.68,1198 3.532,1199 3.58,1200 3.438,1201 3.301,1202 7.352,1203 3.319,1204 3.393,1205 3.399,1206 3.303,1207 3.211,1208 4.815,1209 3.226,1210 3.11,1211 3.159,1212 2.969,1213 2.897,1214 4.592,1215 2.89,1216 2.991,1217 3.033,1218 2.845,1219 2.777,1220 4.433,1221 2.809,1222 2.783,1223 2.855,1224 2.687,1225 2.618,1226 3.75,1227 2.622,1228 2.705,1229 2.73,1230 2.545,1231 2.481,1232 3.638,1233 2.503,1234 0.208,1235 0.17,1236 0.313,1237 0.193,1238 0.149,1239 4.784,1240 0.197,1241 3.904,1242 0.073,1243 7.208,1244 0.552,1245 4.437,1246 0.15,1247 3.437,1248 4.522,1249 1.674,1250 12.703,1251 3.44,1252 1.977,1253 1.967,1254 2.046,1255 2.05,1256 1.191,1257 2.046,1258 1.64,1259 1.608,1260 1.823,1261 1.849,1262 0.946,1263 1.834,1264 1.515,1265 1.487,1266 1.774,1267 1.739,1268 0.888,1269 1.748,1270 1.441,1271 1.376,1272 1.578,1273 1.606,1274 0.674,1275 1.606,1276 1.115,1277 1.095,1278 1.275,1279 1.356,1280 0.309,1281 1.32,1282 0.908,1283 0.858,1284 1.173,1285 1.197,1286 0.21,1287 1.19,1288 0.764,1289 0.704,1290 1.032,1291 1.019,1292 0.113,1293 1.035,1294 0.604,1295 0.575,1296 0.936,1297 0.866,1298 0.019,1299 0.885,1300 3.85,1302 5.209,1303 2.398,1304 6.788,1305 4.844,1306 8.476,1307 7.066,1308 10.227,1310 3.403,1315 0.243,1318 5.055,1326 23.041,1327 52.868,1328 118.219,1329 147.464,1330 155.464,1331 159.464,1332 161.464,1333 47.867,1334 7.023,1335 76.23,1336 76.23,1337 17,1338 12.707,1339 3.907,1340 3.248,1341 31.754,1342 53,1343 66,1344 0.311,1345 141.428,1346 251.52,1347 336.844,1348 8633,1350 15.146,1351 0.721,1352 0.555,1353 15.146,1354 11.65,1355 10.058,1356 0.437,1357 0.289,1358 6.548,1359 9.653,1360 6.354,1361 5.261,1362 10.058,1363 6.64,1364 9.128,1365 0.268,1366 0.141,1367 9.128,1368 4.799,1369 8.19,1370 0.164,1371 0.071,1372 8.19,1373 3.541,1374 7.263,1375 0.101,1376 0.037,1377 7.263,1378 2.658,1379 5.877,1380 0.062,1381 0.019,1382 5.877,1383 1.834,1384 0.451,1385 63.395,1386 0.26,1387 19.826,1388 0.979,1389 114,1390 395.275,1391 126.129,1392 372.537,1393 500.3,1394 346,1395 141,1396 359.617,1397 153.132,1398 361.503,1399 541.65,1400 341,1401 5.805}
{0 CHEMBL1384349,1 1.596,2 14.467,3 4.865,4 23.663,5 118.764,6 8.304,7 0.563,8 4.023,9 4.101,10 3.811,11 3.644,12 5.206,13 3.605,14 4.505,15 4.621,16 4.082,17 3.99,18 5.886,19 3.944,20 4.727,21 4.861,22 4.169,23 4.12,24 6.046,25 4.049,26 4.831,27 5.007,28 4.043,29 4.058,30 6.135,31 3.968,32 4.756,33 4.957,34 3.866,35 3.925,36 6.027,37 3.839,38 4.542,39 4.728,40 3.769,41 3.823,42 5.785,43 3.745,44 4.487,45 4.651,46 3.743,47 3.792,48 5.792,49 3.715,50 4.473,51 4.672,52 3.681,53 3.731,54 5.88,55 3.638,56 0.122,57 0.667,58 11.452,59 5.167,60 20.191,61 5.51,62 0.366,63 1.033,64 17.93,65 8.286,66 54.723,67 9.249,68 0.38,69 1.289,70 24.242,71 10.593,72 48.649,73 11.551,74 0.499,75 1.401,76 31.715,77 11.83,78 72.683,79 12.822,80 0.57,81 1.253,82 29.728,83 10.724,84 101.435,85 12.08,86 0.395,87 1.036,88 23.582,89 8.96,90 66.348,91 10.302,92 0.455,93 0.979,94 19.221,95 7.731,96 82.166,97 8.791,98 0.491,99 0.956,100 20.336,101 8.235,102 89.635,103 10.364,104 38,105 45,106 0.264,107 0.583,108 0.736,109 0.84,110 0.849,111 0.849,112 3.439,113 0.99,114 -4.01,115 -3.96,116 -3.75,120 45.1,121 1,125 1,136 2,143 11,144 3,145 4,158 1,174 14,176 1,177 3,180 2,182 3,185 16,189 9,192 1,194 6,197 13,201 12,206 5,209 6,214 9,219 2,222 10,227 6,230 1,232 2,235 15,243 1,245 2,247 14,251 3,252 3,257 3,260 8,264 6,269 4,271 5,274 1532,275 19.703,276 19.703,277 19.703,278 19.703,279 19.703,280 16.967,281 14.83,282 11.381,283 20.051,284 15.671,285 15.671,286 15.671,287 15.671,288 15.671,289 11.421,290 10.494,291 5.296,292 16.162,293 4.076,294 2.15,295 1.222,296 0.593,297 0.539,298 0.539,299 4.116,306 1,307 1,308 912,309 4.062,313 356.009,320 2.338,321 43.064,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 65.5,333 434,334 4.856,335 4.686,336 7.308,337 4.312,338 3.392,339 4.707,340 0.86,341 12.507,342 3.093,343 4.261,344 3.489,345 6.065,346 3.857,347 2.874,348 3.912,350 8.727,351 2.869,352 4.183,353 3.122,354 6.027,355 3.795,356 2.801,357 3.771,359 8.579,360 2.736,361 3.849,362 2.625,363 5.387,364 3.43,365 2.435,366 3.399,368 6.918,369 2.423,370 3.717,371 2.534,372 5.245,373 3.289,374 2.304,375 3.114,377 6.593,378 2.258,379 3.557,380 2.357,381 5.084,382 3.179,383 2.2,384 2.885,386 6.201,387 2.14,388 3.073,389 1.932,390 4.641,391 2.594,392 1.595,393 2.278,395 4.61,396 1.588,397 2.925,398 1.896,399 4.195,400 2.427,401 1.48,402 2.018,404 3.799,405 1.418,406 2.847,407 1.623,408 4.135,409 2.407,410 1.402,411 1.978,413 3.655,414 1.379,415 2.5,416 1.136,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.315,434 1,435 3.238,436 1.698,437 0.749,438 0.994,440 1.52,441 0.698,442 1.77,443 0.846,444 3.109,445 1.361,446 0.407,447 0.557,449 0.775,450 0.386,451 1.313,452 0.531,453 2.81,454 0.957,455 -0.02,456 -0.025,458 -0.052,459 -0.019,460 1.119,461 0.218,462 2.632,463 0.746,464 -0.235,465 -0.298,467 -0.492,468 -0.227,469 14.4,470 0.48,471 0.892,472 0.03,473 43.25,474 1.442,475 25.5,476 0.85,477 17.75,478 0.592,479 20.379,480 0.679,481 31.8,482 0.624,483 35.567,484 1.186,485 8.783,486 0.293,487 5.497,488 0.183,489 0.162,490 0.058,491 0.278,496 0.639,497 1.105,498 0.812,499 1.132,500 0.724,501 0.889,502 0.727,503 1.002,504 0.843,505 0.946,506 0.591,507 0.892,508 0.938,509 1.218,510 1.085,511 1.175,512 0.92,513 1.115,514 1.242,515 1.143,516 1.256,517 1.174,518 1.219,519 1.101,520 1.318,521 0.88,522 1.042,523 0.875,524 1.489,525 0.903,526 0.996,527 0.935,528 1.032,529 0.969,530 1.112,531 0.91,532 1.063,533 0.952,534 0.971,535 0.933,536 1.222,537 1.058,538 0.465,539 0.951,540 0.762,541 0.936,542 0.493,543 0.969,544 8,545 0.153,546 4.444,547 2.063,548 1.738,549 1.111,550 0.464,551 0.444,552 0.41,553 0.192,554 13034,555 40825,556 1.985,557 41.2,558 3,559 16,562 2,567 1.721,568 1.827,569 3.777,570 0.21,575 81.403,576 1.596,577 3.522,578 4.45,579 5.079,580 5.133,581 5.133,582 3.244,583 4.39,584 4.877,585 3.961,586 1722.98,587 8.468,588 25540.5,590 1,593 289.294,594 1.636,595 4.812,596 0.25,597 0.007,598 0.099,599 0.045,600 0.045,601 0.033,602 0.014,603 0.015,604 0.014,605 0.008,606 0.529,607 0.33,608 1,609 0.792,610 158.497,611 0.029,612 -0.02,613 0.177,614 -0.029,615 -0.158,616 0.045,617 0.134,618 0.036,619 0.058,620 0.048,621 0.164,622 0.036,623 -0.022,624 -0.188,625 -0.094,626 -0.148,627 -0.015,628 -0.17,629 -0.168,630 -0.129,631 -0.158,632 -0.136,633 -0.084,634 -0.131,635 -0.187,636 0.082,637 -0.029,638 0.093,639 -0.175,640 0.081,641 -0.055,642 0.045,643 -0.025,644 0.035,645 -0.06,646 0.085,647 -0.073,648 0.041,649 -0.119,650 -0.024,651 -0.133,652 -0.12,653 0.342,654 -0.003,655 0.127,657 0.364,658 0.041,659 4.619,660 5.446,661 0.6,662 34.329,663 1.013,664 1.11,665 2.777,666 7.709,667 0.697,668 3.497,669 3.829,670 4.025,671 4.174,672 4.357,673 4.369,674 4.344,675 4.394,676 4.419,677 4.419,678 8.208,679 0.668,680 423.52,681 3.497,682 5.043,683 5.872,684 6.739,685 7.582,686 8.45,687 9.297,688 10.166,689 11.015,690 11.885,691 2,696 1,709 11,714 7,716 18,721 1,734 1,735 1,738 51,739 22,740 3,741 32,743 53,744 23,745 18,746 7,747 11,748 3,752 3,753 3,759 1,768 21,769 2,772 4,776 1,778 3,780 2,782 1,789 21,790 6,791 2,792 7,793 1,797 1,803 1,804 5,823 3,845 2,855 3,857 1,859 2,862 30,866 1,868 1,871 1,872 1,886 9.8,888 1,889 3,891 1,893 16.417,894 9.617,895 6.597,896 2.71,898 3.65,899 1.502,900 0.963,901 6.604,902 10.918,903 3.829,904 4.46,905 4.968,906 5.452,907 5.972,908 6.148,909 6.373,910 6.594,911 6.875,912 7.157,913 0.9,914 46,915 11.326,917 5.049,918 8.075,919 20.557,921 16.566,924 2.575,925 77.25,928 1,929 223.651,930 172.948,931 16.405,933 123.141,935 5.807,936 167.141,937 346.792,938 16.405,939 19.708,941 128.999,942 133.68,943 30.108,945 223.651,947 223.651,948 183.546,949 123.141,950 5.807,952 223.651,953 123.141,956 8.825,957 139.363,958 41.165,960 223.651,961 139.546,962 172.948,964 5.807,965 223.651,966 24.241,967 142.899,968 16.405,969 123.141,970 223.651,971 139.546,972 172.948,973 0.589,974 0.338,975 0.161,976 0.085,977 20,978 10,979 0.132,980 7,982 1,983 4.17,984 248.447,986 18,987 137.207,992 1,993 21.627,994 9.161,995 5.511,997 139.546,998 17.505,1003 2.871,1005 59.088,1006 536.145,1007 45,1011 -3.702,1013 37.255,1015 2.961,1017 -0.252,1020 51.651,1021 56.617,1022 0.281,1023 0.621,1024 0.785,1025 0.895,1026 0.905,1027 0.905,1028 5.059,1029 1.48,1030 5.894,1031 4.61,1032 4.511,1033 5.147,1034 0.908,1035 6.713,1036 4.453,1037 6.311,1038 1.402,1039 7.476,1040 3.799,1041 4.29,1042 5.19,1044 7.874,1045 4.159,1046 7.657,1047 1,1048 9.168,1049 3.655,1050 6.172,1051 7.451,1052 0.739,1053 10.858,1054 6.03,1055 9.045,1056 1,1057 10.928,1058 2.275,1059 6.735,1060 8.283,1062 12.865,1063 6.488,1064 10.465,1065 0.749,1066 12.736,1067 2.275,1068 8.15,1069 10.074,1070 0.593,1071 15.481,1072 7.886,1073 11.91,1074 0.407,1075 14.578,1076 1.52,1077 9.056,1078 11.263,1080 17.815,1081 8.675,1082 13.375,1083 -0.02,1084 16.447,1085 0.775,1086 10.31,1087 12.883,1088 0.469,1089 20.349,1090 9.889,1091 3.392,1092 -0.235,1093 18.338,1094 -0.052,1095 11.373,1096 14.246,1098 22.804,1099 10.835,1100 2.874,1101 12.507,1102 20.247,1103 -0.492,1104 12.576,1105 15.803,1106 0.366,1107 25.324,1108 11.974,1109 2.801,1110 8.727,1111 22.171,1112 4.707,1113 13.712,1114 17.252,1116 27.823,1117 12.996,1118 2.435,1119 8.579,1120 24.106,1121 3.912,1122 14.904,1123 18.789,1124 0.283,1125 30.343,1126 14.108,1127 2.304,1128 6.918,1129 26.052,1130 3.771,1131 16.075,1132 20.283,1134 32.858,1135 15.169,1136 2.2,1137 6.593,1138 28.005,1139 3.399,1140 17.271,1141 21.817,1142 0.217,1143 35.381,1144 16.271,1145 1.595,1146 6.201,1147 29.965,1148 3.114,1149 18.461,1150 23.334,1152 37.903,1153 17.353,1154 12727,1155 22696,1156 20.572,1157 35.54,1158 48.146,1159 49.671,1160 49.399,1161 47.345,1162 47.278,1163 65.225,1164 1.72,1165 136.867,1166 45.978,1167 5.683,1168 6.686,1169 6.851,1170 5.358,1171 5.392,1172 7.707,1173 1.72,1174 19.846,1175 5.093,1176 18.067,1177 1.505,1178 1.552,1179 1.544,1180 1.48,1181 1.477,1182 2.038,1183 0.054,1184 4.277,1185 1.437,1186 4.098,1187 4.086,1188 4.736,1189 4.08,1190 7.717,1191 4.005,1192 3.953,1193 3.964,1194 3.92,1195 3.892,1196 7.428,1197 3.886,1198 3.876,1199 3.897,1200 3.825,1201 3.812,1202 6.999,1203 3.811,1204 3.655,1205 3.643,1206 3.723,1207 3.585,1208 6.47,1209 3.513,1210 3.464,1211 3.48,1212 3.41,1213 3.343,1214 4.793,1215 3.343,1216 3.221,1217 3.282,1218 3.073,1219 2.966,1220 4.726,1221 2.979,1222 3.054,1223 3.139,1224 2.863,1225 2.874,1226 4.686,1227 2.849,1228 2.952,1229 2.978,1230 2.834,1231 2.756,1232 4.435,1233 2.756,1234 0.152,1235 0.146,1236 0.228,1237 0.135,1238 0.106,1239 4.856,1240 0.147,1241 4.686,1242 0.027,1243 7.308,1244 0.391,1245 4.312,1246 0.097,1247 3.392,1248 4.707,1249 0.86,1250 12.507,1251 3.093,1252 1.99,1253 1.992,1254 2.038,1255 2.063,1256 1.208,1257 2.093,1258 1.927,1259 1.912,1260 2.019,1261 2.009,1262 1.118,1263 2.015,1264 1.867,1265 1.847,1266 1.968,1267 1.955,1268 1.066,1269 1.961,1270 1.518,1271 1.534,1272 1.619,1273 1.674,1274 0.755,1275 1.703,1276 1.406,1277 1.394,1278 1.536,1279 1.574,1280 0.626,1281 1.594,1282 1.173,1283 1.103,1284 1.514,1285 1.456,1286 0.545,1287 1.477,1288 1.051,1289 0.978,1290 1.181,1291 1.294,1292 0.381,1293 1.339,1294 0.886,1295 0.844,1296 1.181,1297 1.145,1298 0.218,1299 1.131,1300 4.174,1302 5.501,1304 7.017,1306 8.61,1308 10.24,1310 3.337,1314 9.793,1317 2.498,1318 4.984,1326 34.051,1327 81.403,1328 179.624,1329 226.975,1330 259.029,1331 261.784,1332 261.784,1333 79.502,1334 7.268,1335 92.7,1336 101.08,1337 18,1338 12.432,1339 4.524,1340 3.807,1341 55.815,1342 150,1343 144,1344 0.18,1345 214.919,1346 381.1,1347 516.163,1348 14904,1350 21.725,1351 0.724,1352 0.577,1353 21.975,1354 17.311,1355 14.28,1356 0.446,1357 0.33,1358 9.089,1359 13.057,1360 8.668,1361 7.269,1362 15.101,1363 10.556,1364 13.31,1365 0.296,1366 0.185,1367 14.61,1368 8.307,1369 10.642,1370 0.193,1371 0.105,1372 11.746,1373 5.78,1374 8.087,1375 0.126,1376 0.059,1377 9.118,1378 3.771,1379 6.107,1380 0.079,1381 0.034,1382 6.973,1383 2.603,1384 0.295,1385 97.542,1386 0.22,1387 29.122,1388 0.464,1389 154,1390 508.285,1391 203.994,1392 510.66,1393 678.09,1394 468,1395 177,1396 456.315,1397 235.149,1398 503.319,1399 722.95,1400 468,1401 4.492}
{0 CHEMBL1384702,1 1.656,2 9.862,3 4.825,4 23.282,5 96.432,6 10.008,7 0.531,8 3.85,9 3.9,10 3.637,11 3.444,12 5.206,13 3.492,14 4.383,15 4.459,16 4.126,17 3.823,18 6.174,19 3.887,20 4.551,21 4.626,22 4.239,23 3.945,24 6.155,25 4.008,26 4.648,27 4.726,28 4.29,29 3.921,30 6.305,31 4.02,32 4.63,33 4.728,34 4.254,35 3.82,36 6.537,37 3.926,38 4.597,39 4.685,40 4.284,41 3.731,42 6.701,43 3.867,44 4.433,45 4.543,46 3.98,47 3.587,48 6.164,49 3.704,50 4.416,51 4.556,52 3.772,53 3.405,54 6.12,55 3.521,56 0.333,57 0.686,58 2.942,59 3.755,60 56.01,61 3.024,62 1.083,63 1.508,64 8.719,65 6.399,66 175.816,67 5.027,68 1.116,69 1.224,70 10.39,71 7.486,72 132.321,73 6.411,74 1.169,75 1.43,76 11.659,77 8.166,78 184.486,79 6.333,80 1.466,81 1.444,82 14.864,83 8.079,84 292.883,85 6.67,86 1.689,87 1.588,88 13.705,89 7.676,90 305.467,91 5.776,92 1.109,93 1.471,94 11.033,95 6.817,96 165.441,97 4.459,98 1.402,99 1.428,100 14.659,101 6.726,102 233.912,103 3.997,104 54,105 49,106 0.287,107 0.582,108 0.687,109 0.786,110 0.821,111 0.838,112 3.41,113 0.783,114 -3.61,115 -3.58,116 -3.41,120 52.5,125 1,133 1,143 8,144 5,145 1,153 2,158 3,174 11,177 9,185 12,188 1,189 12,197 11,200 2,201 11,209 8,213 2,214 8,222 6,226 2,227 9,235 5,240 7,247 8,251 1,252 3,260 9,263 1,264 1,271 6,274 1331,275 19.032,276 19.032,277 19.032,278 19.032,279 19.032,280 16.887,281 12.641,282 10.659,283 19.39,284 15.669,285 15.669,286 15.669,287 15.669,288 15.669,289 12.068,290 10.838,291 4.933,292 16.178,293 3.666,294 1.966,295 1.357,296 0.788,297 0.588,298 0.488,299 4.096,306 1,307 1,308 616,309 3.873,312 49.453,313 204.717,316 88.912,317 107.274,320 1.265,321 74.245,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 67.5,333 286,334 4.845,335 4.477,336 7.44,337 4.523,338 3.549,339 4.55,340 3.825,341 13.32,342 3.512,343 4.439,344 3.82,345 6.974,346 4.142,347 3.203,348 3.984,349 0.86,350 11.527,351 3.077,352 4.179,353 3.558,354 6.485,355 3.857,356 2.887,357 3.704,359 9.883,360 2.733,361 3.926,362 3.367,363 6.035,364 3.535,365 2.572,366 3.223,368 8.463,369 2.471,370 3.759,371 2.829,372 5.905,373 3.417,374 2.392,375 3.116,377 7.847,378 2.408,379 3.652,380 2.639,381 5.37,382 3.282,383 2.295,384 2.943,386 6.802,387 2.235,388 3.163,389 2.259,390 5.154,391 2.745,392 1.768,393 2.366,395 5.715,396 1.702,397 2.912,398 1.981,399 4.507,400 2.449,401 1.444,402 2.067,404 3.94,405 1.449,406 2.669,407 1.593,408 4.066,409 2.223,410 1.252,411 1.721,413 3.118,414 1.198,415 2.561,416 1.35,417 3.903,418 2.063,419 1.049,420 1.512,422 2.754,423 1.051,424 2.5,425 1.29,426 3.527,427 2,428 1,429 1.5,431 2.275,432 1,433 2.23,434 1.256,435 3.464,436 1.679,437 0.663,438 0.957,440 1.629,441 0.661,442 2.205,443 1.065,444 3.414,445 1.588,446 0.507,447 0.819,449 1.322,450 0.541,451 1.639,452 1,453 2.94,454 1.32,455 0.407,456 0.492,458 0.653,459 0.369,460 0.927,461 0.51,462 2.686,463 0.49,464 -0.517,465 -0.633,467 -1.075,468 -0.503,469 13.024,470 0.449,471 1.023,472 0.035,473 39.5,474 1.362,475 21,476 0.724,477 18.5,478 0.638,479 21.67,480 0.747,481 30.776,482 0.769,483 37.325,484 1.287,485 8.316,486 0.287,487 5.42,488 0.187,489 0.181,490 0.038,491 0.422,493 3,496 0.606,497 0.782,498 0.516,499 0.932,500 0.589,501 0.794,502 0.627,503 0.596,504 0.58,505 0.815,506 0.498,507 0.741,508 0.601,509 0.691,510 0.601,511 0.921,512 0.648,513 0.847,514 0.981,515 1.012,516 0.795,517 1.123,518 1.102,519 0.967,520 0.94,521 1.025,522 0.753,523 0.965,524 1.009,525 0.838,526 1.004,527 1.336,528 0.766,529 1.008,530 0.899,531 0.853,532 1.566,533 1.566,534 1.275,535 1.205,536 1.496,537 1.085,538 1.921,539 1.498,540 1.747,541 1.001,542 2.046,543 1.078,544 6.5,545 0.087,546 4.222,547 3,548 3.416,549 1.948,550 1.193,551 0.595,552 0.436,553 0.197,554 8901,555 35602,556 2.021,557 27.5,559 11,567 1.729,568 1.822,569 3.177,570 -0.717,575 66.22,576 1.656,577 3.356,578 3.965,579 4.534,580 4.734,581 4.834,582 2.642,583 4.556,584 4.825,585 3.329,586 1351.68,587 8.459,588 17037.3,590 1,593 212.877,594 1.723,595 4.745,596 0.203,597 0.007,598 0.086,599 0.055,600 0.061,601 0.037,602 0.023,603 0.015,604 0.015,605 0.01,606 0.513,607 0.5,608 1,609 0.929,610 142.432,611 -0.025,612 -0.005,613 0.019,614 -0.016,615 -0.071,616 0.014,617 0.2,618 0.351,619 0.144,620 0.133,621 0.249,622 0.108,623 0.153,624 0.045,625 0.153,626 0.005,627 0.049,628 0.042,629 -0.095,630 -0.204,631 0.03,632 -0.193,633 -0.15,634 -0.087,635 0.07,636 -0.108,637 0.204,638 -0.006,639 0.116,640 0.097,641 0.214,642 -0.138,643 0.21,644 -0.026,645 0.363,646 0.015,647 -0.37,648 -0.25,649 -0.311,650 -0.208,651 -0.261,652 -0.205,653 -0.505,654 -0.023,655 -0.6,656 0.032,657 -0.54,658 -0.147,659 6.332,660 5.946,661 0.655,662 23.886,663 1.059,664 1.124,665 2.379,666 5.658,667 0.71,668 3.497,669 3.912,670 4.248,671 4.585,672 4.913,673 5.106,674 5.247,675 5.412,676 5.545,677 5.509,678 5.604,679 0.735,680 400.32,681 3.497,682 5.094,683 5.989,684 6.925,685 7.848,686 8.792,687 9.728,688 10.676,689 11.619,690 12.57,709 8,712 1,714 8,716 17,721 3,735 1,738 40,739 20,740 2,741 32,743 43,744 21,745 16,746 4,747 8,748 3,752 4,753 7,759 1,765 1,768 19,769 2,772 3,778 3,782 3,787 3,788 1,789 11,790 8,792 8,803 0.5,804 5,822 1,823 3,826 1,827 1,855 2,859 1,861 3,862 29,872 1,876 1,885 3,886 12.5,889 3,891 2,893 15.917,894 7.929,895 6.194,896 2.267,898 3.313,899 1.419,900 1.01,901 4.346,902 11.226,903 3.795,904 4.446,905 5.114,906 5.736,907 6.302,908 6.675,909 7.05,910 7.452,911 7.864,912 8.153,913 0.857,914 55,915 11.991,917 6.527,918 8.589,919 19.043,921 15.926,924 3.089,925 89.583,928 1,929 129.482,930 141.922,933 95.942,934 44.88,936 141.922,937 225.424,938 44.88,939 10.883,941 75.81,942 90.835,943 86.559,944 10.898,945 129.482,946 7.76,947 129.482,948 141.922,949 140.822,952 129.482,953 140.822,956 7.76,957 134.162,960 174.362,961 95.942,962 141.922,965 137.242,966 47.469,967 86.693,969 140.822,970 129.482,971 140.822,972 141.922,973 0.604,974 0.365,975 0.199,976 0.119,977 26,978 13,979 0.07,980 3,981 2,982 1.211,983 3.713,984 281.761,985 0.211,986 19,987 132.127,993 19.012,994 6.63,995 2.941,997 140.822,998 10.925,1001 4.788,1003 -3.951,1006 412.226,1007 43.5,1013 38.493,1017 -2.827,1020 42.36,1021 44.973,1022 0.311,1023 0.631,1024 0.745,1025 0.852,1026 0.89,1027 0.908,1028 5.083,1029 1.444,1030 6.052,1031 5.715,1032 4.595,1033 5.133,1034 3.106,1035 6.999,1036 4.554,1037 6.348,1038 1.252,1039 7.707,1040 3.94,1041 4.511,1042 5.13,1043 3.903,1044 8.274,1045 4.385,1046 7.707,1047 1.049,1048 9.469,1049 3.118,1050 6.361,1051 7.396,1052 5.425,1053 11.397,1054 6.275,1055 9.104,1056 1,1057 11.292,1058 2.754,1059 7.057,1060 8.185,1061 6.69,1062 13.441,1063 6.904,1064 10.533,1065 0.663,1066 13.154,1067 2.275,1068 8.466,1069 9.967,1070 8.058,1071 16.168,1072 8.33,1073 11.985,1074 0.507,1075 15.041,1076 1.629,1077 9.474,1078 11.114,1079 9.388,1080 18.514,1081 9.298,1082 13.456,1083 0.407,1084 16.947,1085 1.322,1086 10.747,1087 12.713,1088 10.734,1089 21.122,1090 10.573,1091 3.549,1092 -0.517,1093 18.868,1094 0.653,1095 11.886,1096 14.034,1097 12.074,1098 23.595,1099 11.689,1100 3.203,1101 13.32,1102 20.799,1103 -1.075,1104 13.122,1105 15.562,1106 13.416,1107 26.17,1108 12.921,1109 2.887,1110 11.527,1111 22.74,1112 4.55,1113 14.317,1114 16.971,1115 14.758,1116 28.699,1117 14.103,1118 2.572,1119 9.883,1120 24.688,1121 3.984,1122 15.549,1123 18.474,1124 16.1,1125 31.267,1126 15.329,1127 2.392,1128 8.463,1129 26.643,1130 3.704,1131 16.77,1132 19.927,1133 17.441,1134 33.821,1135 16.541,1136 2.295,1137 7.847,1138 28.604,1139 3.223,1140 18.006,1141 21.423,1142 18.783,1143 36.391,1144 17.771,1145 1.768,1146 6.802,1147 30.569,1148 3.116,1149 19.24,1150 22.9,1151 20.124,1152 38.957,1153 18.999,1154 8688,1155 17557,1156 20.403,1157 28.415,1158 51.297,1159 52.877,1160 52.868,1161 50.263,1162 49.975,1163 65.91,1164 9.371,1165 158.494,1166 48.812,1167 5.72,1168 6.477,1169 7.119,1170 5.523,1171 5.549,1172 7.55,1173 5.335,1174 21.32,1175 5.512,1176 17.663,1177 1.603,1178 1.652,1179 1.652,1180 1.571,1181 1.562,1182 2.06,1183 0.293,1184 4.953,1185 1.525,1186 4.117,1187 4.112,1188 4.107,1189 4.023,1190 8.513,1191 4.04,1192 3.911,1193 3.927,1194 3.863,1195 3.844,1196 7.999,1197 3.845,1198 3.775,1199 3.788,1200 3.742,1201 3.66,1202 7.999,1203 3.676,1204 3.34,1205 3.369,1206 3.355,1207 3.12,1208 7.439,1209 3.153,1210 3.313,1211 3.343,1212 3.245,1213 3.025,1214 7.425,1215 3.078,1216 3.158,1217 3.16,1218 3.116,1219 2.95,1220 7.418,1221 2.98,1222 3.066,1223 3.085,1224 2.947,1225 2.802,1226 4.921,1227 2.823,1228 2.854,1229 2.925,1230 2.782,1231 2.735,1232 4.845,1233 2.715,1234 0.151,1235 0.14,1236 0.233,1237 0.141,1238 0.111,1239 4.845,1240 0.142,1241 4.477,1242 0.12,1243 7.44,1244 0.416,1245 4.523,1246 0.11,1247 3.549,1248 4.55,1249 3.825,1250 13.32,1251 3.512,1252 1.975,1253 1.967,1254 2.043,1255 2.051,1256 1.17,1257 2.046,1258 1.9,1259 1.884,1260 1.995,1261 1.993,1262 1.084,1263 1.992,1264 1.563,1265 1.557,1266 1.621,1267 1.749,1268 0.78,1269 1.679,1270 1.41,1271 1.415,1272 1.553,1273 1.62,1274 0.573,1275 1.584,1276 1.2,1277 1.142,1278 1.441,1279 1.508,1280 0.461,1281 1.52,1282 1.007,1283 0.994,1284 1.181,1285 1.279,1286 0.228,1287 1.203,1288 0.951,1289 0.92,1290 1.181,1291 1.2,1292 0.218,1293 1.161,1294 0.886,1295 0.821,1296 1.049,1297 1.062,1298 0.106,1299 1.107,1300 4.174,1302 5.565,1303 2.398,1304 7.157,1305 4.844,1306 8.843,1307 7.111,1308 10.582,1310 1.396,1312 40.872,1318 4.97,1322 -5.082,1326 29.412,1327 66.22,1328 134.248,1329 158.612,1330 181.367,1331 189.367,1332 193.367,1333 91.156,1334 7.913,1335 73.58,1336 73.58,1337 23,1338 13.06,1339 4.392,1340 3.644,1341 44.276,1342 93,1343 131,1344 0.232,1345 174.01,1346 322.84,1347 416.346,1348 27424,1349 7.5,1350 20.922,1351 0.721,1352 0.51,1353 18.422,1354 14.794,1355 13.735,1356 0.429,1357 0.261,1358 8.161,1359 12.987,1360 8.045,1361 6.573,1362 12.524,1363 8.349,1364 13.405,1365 0.274,1366 0.128,1367 11.41,1368 6.27,1369 11.369,1370 0.165,1371 0.067,1372 10.567,1373 4.595,1374 9.648,1375 0.099,1376 0.033,1377 9.116,1378 3.247,1379 8.358,1380 0.062,1381 0.017,1382 7.585,1383 2.261,1384 0.347,1385 88.326,1386 0.221,1387 26.567,1388 0.697,1389 162,1390 765.011,1391 192.414,1392 641.181,1393 832.46,1394 592,1395 199,1396 577.727,1397 225.449,1398 562.044,1399 857.53,1400 527,1401 5.573}
{0 CHEMBL1384904,1 1.536,2 10.182,3 4.817,4 23.202,5 90.805,6 8.117,7 0.708,8 3.718,9 3.818,10 3.424,11 3.413,12 4.847,13 3.344,14 4.205,15 4.356,16 3.776,17 3.767,18 5.283,19 3.679,20 4.381,21 4.538,22 3.863,23 3.852,24 5.538,25 3.754,26 4.425,27 4.631,28 3.631,29 3.773,30 5.466,31 3.616,32 4.374,33 4.633,34 3.525,35 3.626,36 5.37,37 3.436,38 4.024,39 4.195,40 3.39,41 3.421,42 5.214,43 3.278,44 3.996,45 4.191,46 3.216,47 3.344,48 5.096,49 3.218,50 3.945,51 4.166,52 3.121,53 3.268,54 5.014,55 3.166,56 0.011,57 0.493,58 6.998,59 3.526,60 4.338,61 4.397,62 0.068,63 0.837,64 15.477,65 6.276,66 9.501,67 7.613,68 0.165,69 0.998,70 18.192,71 7.151,72 24.126,73 8.497,74 0.136,75 1.015,76 18.954,77 7.779,78 27.354,79 9.573,80 0.212,81 0.973,82 24.169,83 8.778,84 33.512,85 10.491,86 0.172,87 0.668,88 15.789,89 5.921,90 30.167,91 6.362,92 0.125,93 0.664,94 15.743,95 5.63,96 23.434,97 6.224,98 0.102,99 0.633,100 14.01,101 5.05,102 17.938,103 6.059,104 10,105 33,106 0.273,107 0.579,108 0.712,109 0.804,110 0.822,111 0.869,112 3.146,113 1.009,114 -4.2,115 -4.14,116 -3.91,120 47.4,121 2,126 1,143 7,144 3,146 1,147 2,148 1,158 1,174 11,177 4,185 12,188 1,189 8,197 10,201 4,209 5,213 1,214 3,222 4,226 1,227 4,235 3,240 5,247 2,252 6,260 4,264 4,271 7,274 592,275 14.792,276 14.792,277 14.792,278 14.792,279 14.792,280 12.605,281 7.769,282 8.706,283 15.061,284 11.816,285 11.816,286 11.816,287 11.816,288 11.816,289 8.552,290 5.091,291 4.134,292 12.264,293 3.712,294 1.991,295 1.241,296 0.724,297 0.619,298 0.356,299 3.828,306 1,307 1,308 483,309 2.828,313 192.098,317 100.745,320 1.471,321 16.453,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46,333 224,334 4.407,335 4.46,336 6.184,337 3.927,338 2.937,339 4.336,340 3.325,341 9.228,342 2.938,343 4.292,344 3.589,345 6.131,346 3.872,347 2.903,348 3.939,349 1.133,350 8.922,351 2.788,352 3.846,353 2.948,354 5.75,355 3.517,356 2.514,357 3.204,359 7.537,360 2.525,361 3.627,362 2.862,363 5.254,364 3.156,365 2.258,366 3.037,368 6.658,369 1.997,370 3.118,371 2.523,372 4.416,373 2.572,374 1.618,375 2.427,377 4.373,378 1.542,379 2.914,380 1.878,381 4.2,382 2.446,383 1.465,384 2.1,386 3.776,387 1.426,388 2.84,389 1.63,390 4.02,391 2.414,392 1.414,393 1.957,395 3.487,396 1.414,397 2.811,398 1.618,399 3.618,400 2.364,401 1.364,402 1.88,404 3.002,405 1.357,406 2.206,407 1.455,408 3.21,409 1.674,410 0.741,411 1.066,413 1.698,414 0.684,415 1.776,416 0.878,417 3.045,418 1.355,419 0.465,420 0.579,422 1.077,423 0.401,424 1.359,425 0.486,426 2.516,427 1.06,428 0.06,429 0.073,431 0.13,432 0.059,433 1.027,434 0.444,435 2.374,436 0.527,437 -0.405,438 -0.545,440 -0.961,441 -0.365,442 0.882,443 0.026,444 2.24,445 0.354,446 -0.618,447 -0.863,449 -1.597,450 -0.593,451 0.747,452 -0.434,453 2,454 0.346,455 -0.656,456 -0.927,458 -1.693,459 -0.66,460 0.442,461 -0.618,462 2,463 -0.018,464 -1,465 -1.345,467 -2.573,468 -0.944,469 10.967,470 0.498,471 0.541,472 0.025,473 31.25,474 1.42,475 18,476 0.818,477 13.25,478 0.602,479 15.56,480 0.707,481 22.033,482 0.58,483 19.707,484 0.896,485 5.995,486 0.272,487 4.636,488 0.211,489 0.122,491 0.319,496 0.586,497 1.043,498 0.718,499 0.862,500 0.579,501 0.858,502 0.707,503 1.112,504 0.952,505 1.028,506 0.627,507 0.871,508 1.093,509 1.162,510 1.009,511 1.119,512 1.142,513 1.063,514 1.203,515 1.088,516 1.026,517 1.04,518 1.216,519 1.153,520 0.957,521 0.79,522 1.083,523 0.944,524 0.972,525 0.817,526 1.666,527 1.083,528 1.455,529 1.239,530 1.976,531 1.066,532 1.597,533 1.096,534 1.442,535 1.217,536 1.649,537 1.012,538 1.185,539 0.979,540 1.09,541 0.995,542 1.034,543 0.852,544 4.5,545 0.091,546 2.889,547 1,548 1.249,549 0.549,550 0.242,551 0.252,552 0.209,553 0.122,554 5400,555 13757,556 2.07,557 42.1,558 6,559 9,561 1,567 1.639,568 1.941,569 3.342,570 -0.807,575 58.363,576 1.536,577 3.257,578 4.007,579 4.524,580 4.629,581 4.892,582 2.732,583 3.88,584 4.436,585 3.457,586 798.66,587 7.586,588 9004.11,590 1,593 199.421,594 1.395,595 4.392,596 0.188,597 0.008,598 0.088,599 0.03,600 0.052,601 0.026,602 0.013,603 0.014,604 0.012,605 0.008,606 0.437,607 0.5,608 1,609 0.595,610 102.628,611 0.01,612 -0.061,613 0.066,614 0.028,615 -0.052,616 0.022,617 0.052,618 -0.097,619 0.063,620 -0.021,621 0.02,622 0.064,623 0.03,624 -0.143,625 -0.035,626 -0.158,627 -0.036,628 -0.156,629 -0.133,630 -0.107,631 -0.081,632 -0.093,633 -0.137,634 -0.201,635 0.147,636 0.196,637 0.183,638 0.201,639 0.16,640 0.242,641 -0.022,642 -0.086,643 -0.14,644 -0.07,645 -0.048,646 -0.094,647 -0.195,648 -0.08,649 -0.215,650 -0.109,651 -0.135,652 -0.036,653 -0.068,654 0.027,655 -0.058,656 -0.003,657 0.051,658 0.123,659 1.553,660 5.276,661 0.727,662 16.628,663 0.995,664 1.106,665 2.967,666 8.804,667 0.722,668 3.219,669 3.526,670 3.761,671 3.932,672 4.174,673 4.111,674 4.094,675 4.127,676 4.234,677 4.143,678 5.99,679 0.675,680 308.43,681 3.219,682 4.745,683 5.58,684 6.435,685 7.284,686 8.139,687 8.993,688 9.848,689 10.702,690 11.558,691 5.3,701 2,708 2,709 8,710 2,714 4,716 17,721 1,738 38,739 18,740 2,741 24,743 40,744 18,745 14,746 5,747 7,748 1,752 3,753 4,759 2,768 15,769 3,772 1,778 1,782 1,789 16,790 3,792 4,793 1,797 2,803 0.667,804 1,813 1,823 3,827 1,855 2,856 1,857 1,859 2,862 22,869 1,873 1,886 2.6,889 1,893 11.333,894 7.65,895 4.833,896 2.224,898 3.261,899 1.479,900 0.994,901 4.216,902 10.066,903 3.541,904 4.174,905 4.766,906 5.31,907 5.899,908 6.05,909 6.296,910 6.565,911 6.93,912 6.731,913 0.857,914 33,915 8.121,917 3.392,918 7.682,919 15.581,921 12.58,924 2.182,925 48,929 188.338,930 146.251,931 33.571,933 25.145,935 32.22,936 114.032,937 213.483,938 33.571,939 17.65,940 0.9,941 66.334,942 75.621,943 22.892,944 1.122,945 208.786,947 188.338,948 147.603,949 25.145,950 32.22,952 188.338,953 25.145,956 31.886,957 82.146,958 33.571,959 32.22,960 188.338,961 58.716,962 146.251,965 188.338,966 53.22,967 93.032,969 58.716,970 188.338,971 58.716,972 146.251,973 0.584,974 0.341,975 0.167,976 0.095,977 16,978 7,979 0.1,980 4,981 1,982 1.125,983 3.509,984 165.523,985 0.125,986 16,987 96.107,989 1,993 14.743,994 6.291,995 3.368,996 1.721,997 58.716,998 15.276,999 8.884,1003 3.867,1006 393.305,1007 33.5,1013 12.276,1017 0.114,1020 37.793,1021 42.032,1022 0.293,1023 0.621,1024 0.764,1025 0.862,1026 0.882,1027 0.932,1028 4.747,1029 1.364,1030 5.557,1031 3.487,1032 4.205,1033 4.86,1034 3.246,1035 6.323,1036 4.141,1037 5.967,1038 0.741,1039 7.096,1040 3.002,1041 3.761,1042 4.677,1044 7.125,1045 3.708,1046 7.275,1047 0.465,1048 8.731,1049 1.698,1050 5.765,1051 7.112,1052 5.517,1053 10.169,1054 5.655,1055 8.618,1056 0.06,1057 10.422,1058 1.077,1059 6.111,1060 7.732,1062 11.754,1063 6.019,1064 9.989,1065 -0.405,1066 12.145,1067 0.13,1068 7.588,1069 9.641,1070 7.904,1071 14.296,1072 7.451,1073 11.381,1074 -0.618,1075 13.891,1076 -0.961,1077 8.302,1078 10.655,1080 16.21,1081 8.179,1082 12.788,1083 -0.656,1084 15.652,1085 -1.597,1086 9.552,1087 12.327,1088 10.305,1089 18.557,1090 9.398,1091 2.937,1092 -1,1093 17.423,1094 -1.693,1095 10.445,1096 13.549,1098 20.622,1099 10.295,1100 2.903,1101 9.228,1102 19.203,1103 -2.573,1104 11.593,1105 15.105,1106 12.708,1107 22.888,1108 11.42,1109 2.514,1110 8.922,1111 20.988,1112 4.336,1113 12.573,1114 16.436,1116 25.024,1117 12.399,1118 2.258,1119 7.537,1120 22.778,1121 3.939,1122 13.674,1123 17.937,1124 15.111,1125 27.256,1126 13.483,1127 1.618,1128 6.658,1129 24.572,1130 3.204,1131 14.698,1132 19.325,1134 29.428,1135 14.501,1136 1.465,1137 4.373,1138 26.369,1139 3.037,1140 15.779,1141 20.8,1142 17.514,1143 31.644,1144 15.568,1145 1.414,1146 3.776,1147 28.168,1148 2.427,1149 16.825,1150 22.219,1152 33.834,1153 16.606,1154 5202,1155 8445,1156 16.008,1157 27.443,1158 35.755,1159 39.204,1160 36.654,1161 35.451,1162 35.478,1163 49.197,1164 8.917,1165 99.776,1166 34.261,1167 5.275,1168 6.46,1169 5.871,1170 5.043,1171 4.937,1172 7.336,1173 6.65,1174 15.545,1175 4.938,1176 10.118,1177 1.49,1178 1.634,1179 1.527,1180 1.477,1181 1.478,1182 2.05,1183 0.372,1184 4.157,1185 1.428,1186 4.042,1187 4.074,1188 4.091,1189 3.961,1190 7.427,1191 3.96,1192 3.959,1193 3.983,1194 3.908,1195 3.9,1196 5.059,1197 3.898,1198 3.53,1199 3.552,1200 3.729,1201 3.493,1202 4.703,1203 3.432,1204 3.37,1205 3.414,1206 3.297,1207 3.232,1208 4.394,1209 3.239,1210 3.15,1211 3.245,1212 3.038,1213 2.994,1214 4.112,1215 2.967,1216 3.05,1217 3.129,1218 2.927,1219 2.924,1220 3.893,1221 2.879,1222 2.946,1223 3.011,1224 2.836,1225 2.8,1226 3.846,1227 2.798,1228 2.697,1229 2.758,1230 2.684,1231 2.597,1232 3.598,1233 2.571,1234 0.184,1235 0.186,1236 0.258,1237 0.164,1238 0.122,1239 4.407,1240 0.181,1241 4.46,1242 0.139,1243 6.184,1244 0.384,1245 3.927,1246 0.122,1247 2.937,1248 4.336,1249 3.325,1250 9.228,1251 2.938,1252 1.987,1253 1.959,1254 2.068,1255 2.095,1256 1.212,1257 2.089,1258 1.952,1259 1.93,1260 2.056,1261 2.028,1262 1.125,1263 2.042,1264 1.497,1265 1.476,1266 1.628,1267 1.626,1268 0.863,1269 1.652,1270 1.337,1271 1.294,1272 1.566,1273 1.506,1274 0.629,1275 1.514,1276 1.191,1277 1.105,1278 1.496,1279 1.42,1280 0.572,1281 1.476,1282 1.066,1283 0.993,1284 1.367,1285 1.275,1286 0.454,1287 1.324,1288 0.93,1289 0.871,1290 1.168,1291 1.115,1292 0.209,1293 1.133,1294 0.706,1295 0.65,1296 1.033,1297 0.906,1298 0.107,1299 0.958,1300 3.892,1302 5.198,1304 6.706,1306 8.299,1308 9.934,1310 4.067,1315 0.371,1319 1.425,1326 25.632,1327 58.363,1328 123.77,1329 152.26,1330 171.911,1331 175.911,1332 185.911,1333 32.655,1334 6.805,1335 42.85,1336 68.15,1337 18,1338 12.111,1339 4.248,1340 3.392,1341 34.725,1342 81,1343 66,1344 0.212,1345 163.622,1346 275.72,1347 390.997,1348 7980,1350 15.527,1351 0.706,1352 0.607,1353 15.88,1354 13.353,1355 10.631,1356 0.443,1357 0.336,1358 7.125,1359 9.978,1360 6.741,1361 5.647,1362 11.085,1363 8.069,1364 9.566,1365 0.29,1366 0.188,1367 10.143,1368 6.203,1369 8.122,1370 0.193,1371 0.107,1372 8.823,1373 4.505,1374 6.073,1375 0.121,1376 0.058,1377 6.737,1378 2.883,1379 5.154,1380 0.081,1381 0.033,1382 5.862,1383 2.083,1384 0.338,1385 69.767,1386 0.25,1387 22,1388 0.566,1389 114,1390 313.886,1391 142.717,1392 332.527,1393 455.26,1394 312,1395 132,1396 317.975,1397 157.418,1398 340.365,1399 493.52,1400 319,1401 5.366}
{0 CHEMBL1384953,1 1.562,2 9.538,3 4.22,4 17.809,5 95.807,6 7.964,7 0.607,8 3.889,9 3.977,10 3.512,11 3.419,12 5.096,13 3.427,14 4.368,15 4.502,16 3.831,17 3.721,18 5.589,19 3.719,20 4.502,21 4.67,22 3.854,23 3.737,24 5.706,25 3.736,26 4.472,27 4.621,28 3.788,29 3.673,30 5.729,31 3.681,32 4.422,33 4.582,34 3.76,35 3.692,36 5.623,37 3.687,38 4.457,39 4.622,40 3.748,41 3.697,42 5.641,43 3.68,44 4.46,45 4.636,46 3.757,47 3.669,48 5.654,49 3.66,50 4.407,51 4.566,52 3.671,53 3.683,54 5.616,55 3.662,56 0.057,57 0.581,58 7.697,59 4.04,60 6.441,61 4.626,62 0.426,63 0.892,64 15.084,65 6.211,66 32.211,67 7.45,68 0.398,69 1.006,70 18.638,71 6.969,72 37.787,73 8.457,74 0.601,75 0.958,76 18.324,77 6.157,78 52.974,79 6.905,80 0.355,81 0.949,82 16.723,83 6.136,84 33.42,85 7.258,86 0.407,87 0.968,88 17.641,89 6.481,90 38.238,91 7.773,92 0.51,93 0.968,94 18.244,95 6.282,96 36.212,97 7.684,98 0.347,99 0.908,100 16.582,101 6.25,102 36.516,103 7.155,104 16,105 37,106 0.268,107 0.603,108 0.729,109 0.824,110 0.862,111 0.862,112 3.304,113 0.873,114 -4.39,115 -4.32,116 -4.08,120 45.5,121 1,122 1,125 1,143 9,144 1,145 2,147 1,154 1,156 1,159 1,162 1,174 10,176 3,177 6,185 8,188 3,189 10,197 4,200 3,201 8,213 1,214 8,226 2,227 11,235 1,239 2,240 11,247 4,252 7,260 9,263 1,264 6,271 13,274 1132,275 17.947,276 17.947,277 17.947,278 17.947,279 17.947,280 15.653,281 15.707,282 10.823,283 18.318,284 13.718,285 13.718,286 13.718,287 13.718,288 13.718,289 10.166,290 18.566,291 5.001,292 14.231,293 3.898,294 1.949,295 1.219,296 0.662,297 0.443,298 0.443,299 3.987,306 1,307 1,308 521,309 3.317,312 75.659,313 183.431,320 1.456,321 26.277,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 57,333 248,334 4.436,335 3.712,336 6.379,337 4.024,338 3.063,339 4.136,340 2.443,341 9.916,342 2.944,343 4.21,344 3.145,345 6.13,346 3.789,347 2.833,348 3.834,349 0.86,350 8.982,351 2.703,352 3.942,353 3.052,354 5.908,355 3.562,356 2.59,357 3.457,358 0.6,359 8.262,360 2.507,361 3.587,362 2.619,363 5.008,364 3.224,365 2.234,366 2.789,367 0.286,368 5.925,369 2.19,370 3.219,371 2.182,372 4.457,373 2.733,374 1.757,375 2.486,377 4.471,378 1.718,379 3.04,380 1.783,381 4.363,382 2.578,383 1.632,384 2.209,386 4.152,387 1.537,388 2.917,389 1.726,390 4.237,391 2.456,392 1.483,393 2.084,395 3.764,396 1.436,397 2.716,398 1.481,399 3.628,400 2.287,401 1.329,402 1.774,404 3.041,405 1.266,406 2.533,407 1.131,408 3.488,409 2.03,410 1.056,411 1.543,413 2.587,414 1.024,415 2.5,416 1.008,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.215,425 1,426 3.153,427 1.559,428 0.628,429 0.921,431 1.399,432 0.581,433 1.652,434 0.941,435 2.835,436 1.346,437 0.392,438 0.49,440 0.649,441 0.35,442 1.499,443 0.844,444 2.689,445 1.277,446 0.352,447 0.381,449 0.497,450 0.339,451 1.069,452 0.459,453 2.408,454 0.655,455 -0.305,456 -0.381,458 -0.707,459 -0.288,460 0.848,461 -0.087,462 2.247,463 0.469,464 -0.486,465 -0.612,467 -1.065,468 -0.457,469 12.133,470 0.467,471 0.465,472 0.018,473 37.25,474 1.433,475 20.5,476 0.788,477 16.75,478 0.644,479 17.359,480 0.668,481 27.467,482 0.624,483 27.519,484 1.058,485 7.637,486 0.294,487 5.07,488 0.195,489 0.11,491 0.288,496 0.801,497 1.287,498 0.705,499 1.153,500 0.655,501 0.955,502 0.825,503 1.097,504 0.784,505 0.976,506 0.661,507 0.892,508 1.089,509 1.048,510 0.836,511 0.975,512 1.001,513 0.875,514 1.533,515 1.028,516 1.129,517 0.877,518 1.405,519 0.905,520 1.245,521 1.083,522 1.002,523 0.964,524 0.969,525 0.924,526 1.193,527 1.105,528 1.027,529 1.007,530 0.958,531 0.982,532 1.094,533 0.984,534 0.952,535 0.902,536 0.919,537 0.875,538 1.388,539 0.9,540 1.147,541 0.958,542 1.515,543 0.975,544 4.5,545 0.095,546 2.667,547 1.354,548 1.108,549 0.876,550 0.414,551 0.381,552 0.336,553 0.174,554 7597,555 22034,556 2.059,557 40.9,558 3,559 12,561 1,563 2,567 1.696,568 1.95,569 3.26,570 -0.76,572 1,575 68.718,576 1.562,577 3.511,578 4.24,579 4.798,580 5.016,581 5.016,582 2.651,583 4.47,584 4.671,585 3.428,586 1113.98,587 8.125,588 14315.5,590 1,592 1,593 240.215,594 1.3,595 4.642,596 0.161,597 0.005,598 0.072,599 0.037,600 0.033,601 0.026,602 0.013,603 0.012,604 0.011,605 0.006,606 0.374,607 0.17,608 1,609 1.186,610 127.092,611 -0.03,612 -0.212,613 0.061,614 -0.138,615 -0.066,616 -0.041,617 0.211,618 -0.062,619 0.114,620 0.001,621 0.11,622 0.028,623 0.021,624 -0.029,625 0.131,626 -0.021,627 0.027,628 0.055,629 -0.11,630 0.014,631 -0.138,632 0.043,633 -0.126,634 -0.04,635 -0.146,636 -0.021,637 -0.063,638 -0.024,639 -0.032,640 -0.021,641 -0.082,642 -0.067,643 -0.073,644 -0.062,645 -0.031,646 -0.068,647 0.049,648 0.065,649 0.027,650 0.029,651 0.033,652 0.037,653 -0.26,654 0.135,655 -0.207,656 -0.003,657 -0.176,658 -0.063,659 2.076,660 4.679,661 0.654,662 23.882,663 1.013,664 1.117,665 3.16,666 9.983,667 0.68,668 3.367,669 3.638,670 3.892,671 4.111,672 4.29,673 4.331,674 4.454,675 4.543,676 4.625,677 4.625,678 6.141,679 0.662,680 350.4,681 3.367,682 4.875,683 5.707,684 6.561,685 7.414,686 8.277,687 9.139,688 10.008,689 10.875,690 11.747,691 4.5,700 1,701 1,709 9,710 1,712 1,714 6,716 17,719 1,735 1,738 44,739 19,740 2,741 28,743 46,744 20,745 15,746 3,747 9,748 1,752 3,753 3,759 1,766 1,768 17,769 3,772 2,778 1,780 1,781 1,782 1,786 1,789 18,790 6,792 6,797 2,803 1,804 4,808 1,822 1,823 2,841 1,855 3,859 2,862 26,869 1,872 2,886 9.1,889 1,891 3,893 13.333,894 8.65,895 6,896 2.64,898 3.534,899 1.503,900 0.957,901 5.821,902 10.557,903 3.676,904 4.238,905 4.815,906 5.38,907 5.858,908 6.123,909 6.551,910 6.943,911 7.36,912 7.678,913 1,914 37,915 9.553,917 3.918,918 7.833,919 17.86,921 13.739,924 2.333,925 60.667,928 1,929 211.88,930 150.237,931 33.571,933 56.652,936 150.237,937 268.532,938 33.571,939 19.708,940 2.535,941 85.286,942 74.96,943 69.742,945 200.109,947 211.88,948 183.808,949 56.652,952 211.88,953 56.652,956 43.429,957 114.546,958 25.833,960 211.88,961 90.223,962 150.237,965 211.88,966 36.195,967 114.042,969 90.223,970 211.88,971 90.223,972 150.237,973 0.561,974 0.333,975 0.176,976 0.095,977 16,978 7,979 0.152,980 7,982 1,983 3.808,984 209.911,986 17,987 118.211,993 17.899,994 8.455,995 4.396,997 90.223,998 16.695,999 4.404,1001 5.642,1003 2.741,1006 452.34,1007 38.5,1013 11.679,1015 1.492,1016 4.384,1017 -0.41,1020 44.582,1021 49.156,1022 0.286,1023 0.643,1024 0.777,1025 0.879,1026 0.919,1027 0.919,1028 4.869,1029 1.329,1030 5.659,1031 3.764,1032 4.317,1033 4.924,1034 2.583,1035 6.425,1036 4.244,1037 6.06,1038 1.056,1039 7.188,1040 3.041,1041 3.761,1042 4.543,1043 2.243,1044 7.248,1045 3.652,1046 7.345,1047 1,1048 8.817,1049 2.587,1050 5.861,1051 7.08,1052 3.87,1053 10.325,1054 5.712,1055 8.67,1056 0.628,1057 10.509,1058 2.136,1059 6.176,1060 7.57,1061 4.269,1062 11.999,1063 5.978,1064 10.028,1065 0.392,1066 12.24,1067 1.399,1068 7.69,1069 9.513,1070 5.49,1071 14.557,1072 7.463,1073 11.409,1074 0.352,1075 13.998,1076 0.649,1077 8.411,1078 10.427,1079 6.158,1080 16.566,1081 8.128,1082 12.808,1083 -0.305,1084 15.774,1085 0.497,1086 9.68,1087 12.1,1088 7.209,1089 18.94,1090 9.37,1091 3.063,1092 -0.486,1093 17.564,1094 -0.707,1095 10.595,1096 13.237,1097 7.992,1098 21.091,1099 10.229,1100 2.833,1101 9.916,1102 19.363,1103 -1.065,1104 11.759,1105 14.774,1106 8.963,1107 23.396,1108 11.363,1109 2.59,1110 8.982,1111 21.17,1112 4.136,1113 12.767,1114 16.03,1115 9.802,1116 25.609,1117 12.32,1118 2.234,1119 8.262,1120 22.982,1121 3.834,1122 13.888,1123 17.499,1124 10.734,1125 27.89,1126 13.407,1127 1.757,1128 5.925,1129 24.798,1130 3.457,1131 14.941,1132 18.82,1133 11.599,1134 30.133,1135 14.412,1136 1.632,1137 4.471,1138 26.617,1139 2.789,1140 16.046,1141 20.255,1142 12.512,1143 32.407,1144 15.481,1145 1.483,1146 4.152,1147 28.439,1148 2.486,1149 17.122,1150 21.612,1151 13.391,1152 34.666,1153 16.512,1154 7480,1155 12905,1156 18.781,1157 29.921,1158 41.183,1159 42.347,1160 42.332,1161 40.66,1162 40.691,1163 55.206,1164 8.378,1165 111.56,1166 39.191,1167 5.244,1168 5.712,1169 6.181,1170 5.083,1171 5.063,1172 7.136,1173 4.174,1174 16.525,1175 4.944,1176 11.558,1177 1.471,1178 1.512,1179 1.512,1180 1.452,1181 1.453,1182 1.972,1183 0.299,1184 3.984,1185 1.4,1186 4.013,1187 4.03,1188 3.984,1189 3.893,1190 7.432,1191 3.905,1192 3.895,1193 3.919,1194 3.842,1195 3.818,1196 5.196,1197 3.819,1198 3.742,1199 3.759,1200 3.686,1201 3.568,1202 4.908,1203 3.602,1204 3.576,1205 3.624,1206 3.465,1207 3.392,1208 4.702,1209 3.397,1210 3.249,1211 3.315,1212 3.088,1213 2.983,1214 4.468,1215 2.999,1216 3.158,1217 3.212,1218 3.058,1219 2.945,1220 4.326,1221 2.961,1222 2.977,1223 3.01,1224 2.817,1225 2.738,1226 4.189,1227 2.746,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.908,1233 2.715,1234 0.158,1235 0.133,1236 0.228,1237 0.144,1238 0.109,1239 4.436,1240 0.148,1241 3.712,1242 0.087,1243 6.379,1244 0.354,1245 4.024,1246 0.105,1247 3.063,1248 4.136,1249 2.443,1250 9.916,1251 2.944,1252 1.898,1253 1.873,1254 2.014,1255 1.994,1256 1.078,1257 1.996,1258 1.882,1259 1.859,1260 1.987,1261 1.981,1262 1.052,1263 1.987,1264 1.594,1265 1.56,1266 1.85,1267 1.825,1268 1.007,1269 1.822,1270 1.445,1271 1.401,1272 1.573,1273 1.626,1274 0.574,1275 1.61,1276 1.197,1277 1.157,1278 1.546,1279 1.512,1280 0.568,1281 1.532,1282 1.165,1283 1.124,1284 1.263,1285 1.452,1286 0.296,1287 1.386,1288 0.939,1289 0.893,1290 1.181,1291 1.213,1292 0.218,1293 1.188,1294 0.886,1295 0.821,1296 1.157,1297 1.062,1298 0.194,1299 1.107,1300 4.043,1302 5.323,1303 2.398,1304 6.799,1305 4.727,1306 8.359,1307 6.823,1308 9.963,1310 3.284,1315 0.227,1318 10.529,1326 29.116,1327 68.718,1328 154.466,1329 186.566,1330 211.096,1331 220.705,1332 220.705,1333 41.37,1334 7.023,1335 73.92,1336 73.92,1337 17,1338 12.29,1339 4.322,1340 3.524,1341 44.042,1342 92,1343 87,1344 0.226,1345 180.737,1346 315.54,1347 432.757,1348 9733,1350 18.355,1351 0.706,1352 0.558,1353 18.355,1354 14.508,1355 12.707,1356 0.454,1357 0.291,1358 8.007,1359 12.131,1360 7.798,1361 6.544,1362 12.707,1363 8.149,1364 10.689,1365 0.289,1366 0.144,1367 10.689,1368 5.315,1369 9.095,1370 0.189,1371 0.074,1372 9.095,1373 3.548,1374 7.205,1375 0.12,1376 0.037,1377 7.205,1378 2.22,1379 5.682,1380 0.079,1381 0.02,1382 5.682,1383 1.411,1384 0.35,1385 80.43,1386 0.231,1387 25.057,1388 0.633,1389 130,1390 456.232,1391 147.724,1392 427.819,1393 584.78,1394 402,1395 150,1396 434.009,1397 167.812,1398 432.713,1399 632.59,1400 406,1401 4.987}
{0 CHEMBL1385073,1 1.448,2 10.286,3 4.866,4 23.679,5 87.162,6 7.035,7 0.545,8 3.746,9 3.878,10 3.257,11 3.312,12 4.883,13 3.268,14 4.228,15 4.413,16 3.58,17 3.656,18 5.302,19 3.593,20 4.497,21 4.702,22 3.591,23 3.73,24 5.64,25 3.642,26 4.614,27 4.917,28 3.307,29 3.542,30 5.648,31 3.43,32 4.136,33 4.369,34 3.284,35 3.438,36 5.203,37 3.356,38 4.132,39 4.305,40 3.238,41 3.548,42 5.207,43 3.429,44 4.334,45 4.611,46 3.033,47 3.502,48 5.205,49 3.308,50 4.097,51 4.409,52 2.819,53 3.133,54 4.95,55 2.956,56 0.052,57 0.572,58 8.387,59 3.655,60 7.572,61 4.992,62 0.105,63 0.87,64 14.46,65 5.824,66 19.572,67 8.278,68 0.128,69 1.092,70 19.688,71 6.758,72 29.309,73 9.806,74 0.425,75 1.058,76 25.228,77 6.552,78 69.32,79 9.914,80 0.158,81 0.726,82 14.075,83 5.179,84 25.282,85 7.284,86 0.098,87 0.759,88 13.033,89 5.762,90 19.343,91 7.808,92 0.141,93 0.833,94 17.391,95 6.969,96 27.874,97 10.192,98 0.14,99 0.639,100 14.265,101 5.024,102 23.953,103 7.666,104 20,105 30,106 0.258,107 0.528,108 0.589,109 0.681,110 0.72,111 0.728,112 3.101,113 0.932,114 -4.71,115 -4.63,116 -4.35,120 42.5,121 3,124 1,143 9,145 3,159 1,167 1,174 9,177 5,180 1,182 3,185 9,189 11,194 5,197 4,201 7,209 2,214 3,217 1,222 12,230 1,235 14,239 1,240 1,247 6,251 1,252 4,257 2,260 2,264 3,269 2,274 539,275 13.61,276 13.61,277 13.61,278 13.61,279 13.61,280 11.913,281 17.92,282 8.123,283 13.722,284 10.857,285 10.857,286 10.857,287 10.857,288 10.857,289 8.312,290 21.345,291 3.901,292 11.018,293 3.874,294 2.359,295 2.014,296 1.501,297 1.282,298 1.232,299 3.759,306 1,307 1,308 442,309 3.674,313 156.841,320 1.891,321 15.1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44.5,333 216,334 4.391,335 3.943,336 7.058,337 4.297,338 3.293,339 3.718,340 1.907,341 11.368,342 3.302,343 4.071,344 2.783,345 5.518,346 3.642,347 2.667,348 3.526,349 0.149,350 7.471,351 2.599,352 3.907,353 2.62,354 5.344,355 3.475,356 2.498,357 3.439,359 6.984,360 2.44,361 3.509,362 2.476,363 5.128,364 3.137,365 2.172,366 2.813,368 6.377,369 2.092,370 2.978,371 2.235,372 4.249,373 2.495,374 1.504,375 2.155,377 3.687,378 1.487,379 2.773,380 1.544,381 3.637,382 2.387,383 1.361,384 1.728,386 3.141,387 1.383,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.364,407 0.834,408 3.145,409 1.672,410 0.681,411 1.079,413 1.577,414 0.674,415 1.331,416 0.462,417 2.82,418 0.937,419 -0.049,420 -0.063,422 -0.117,423 -0.048,424 0.822,425 -0.155,426 2.264,427 0.427,428 -0.554,429 -0.705,431 -1.316,432 -0.539,433 0.605,434 -0.583,435 2,436 0.118,437 -0.891,438 -1,440 -2.031,441 -0.893,442 0.5,443 -0.919,444 2,446 -1,447 -1,449 -2.347,450 -1,451 0.5,452 -1,453 2,455 -1,456 -1.299,458 -3,459 -1,461 -1,462 1.841,464 -1,465 -1.5,467 -3,468 -1,469 10.033,470 0.478,471 0.637,472 0.03,473 28.75,474 1.369,475 16.5,476 0.786,477 12.25,478 0.583,479 14.881,480 0.709,481 22.367,482 0.559,483 18.688,484 0.89,485 5.508,486 0.262,487 4.441,488 0.211,489 0.183,490 0.05,491 0.199,496 0.615,497 1.143,498 0.846,499 1.065,500 0.626,501 0.995,502 0.54,503 1.219,504 0.765,505 1.044,506 0.538,507 0.95,508 1.223,509 1.547,510 1.187,511 1.383,512 1.083,513 1.293,514 2.153,515 0.61,516 1.065,517 0.502,518 2.1,519 0.628,520 1.101,521 0.692,522 0.826,523 0.728,524 1.135,525 0.744,526 0.836,527 1.155,528 1.272,529 1.364,530 1.067,531 1.38,532 0.292,533 1.036,534 0.95,535 1.147,536 0.385,537 1.134,538 0.336,539 1.004,540 0.69,541 0.908,542 0.296,543 0.852,544 5.5,545 0.12,546 2.222,547 0.563,548 1.013,549 0.576,550 0.224,551 0.288,552 0.131,553 0.09,554 4618,555 11498,556 1.957,557 47.5,558 9,559 9,562 1,567 1.623,568 1.813,569 3.326,570 -0.338,575 57.925,576 1.448,577 2.963,578 3.308,579 3.821,580 4.04,581 4.09,582 2.761,583 3.554,584 4.363,585 3.526,586 740.441,587 7.432,588 8323.48,590 1,593 212.877,594 1.582,595 4.3,596 0.25,597 0.012,598 0.074,599 0.021,600 0.051,601 0.026,602 0.011,603 0.019,604 0.011,605 0.009,606 0.484,607 0.5,608 1,609 1.292,610 97.64,611 0.084,612 0.029,613 0.034,614 -0.005,615 -0.056,616 0.003,617 0.199,618 -0.148,619 0.153,620 -0.012,621 0.125,622 0.049,623 -0.081,624 -0.487,625 -0.221,626 -0.428,627 -0.016,628 -0.355,629 -0.355,630 0.331,631 0.033,632 0.352,633 -0.255,634 0.259,635 -0.021,636 0.306,637 0.152,638 0.262,639 0.025,640 0.234,641 -0.086,642 -0.115,643 -0.378,644 -0.303,645 -0.192,646 -0.369,647 0.191,648 -0.142,649 -0.013,650 -0.133,651 0.084,652 -0.105,653 0.319,654 -0.139,655 0.299,656 0.055,657 0.263,658 0.151,659 1.679,660 4.877,661 0.571,662 19.651,663 0.993,664 1.126,665 3.483,666 12.134,667 0.664,668 3.135,669 3.434,670 3.526,671 3.584,672 3.807,673 3.664,674 3.714,675 3.85,676 3.807,677 3.664,678 6.278,679 0.625,680 281.39,681 3.135,682 4.654,683 5.442,684 6.282,685 7.091,686 7.927,687 8.743,688 9.578,689 10.398,690 11.232,691 7.5,698 1,704 2,709 9,714 3,716 12,738 40,739 14,740 2,741 22,743 41,744 17,745 12,746 3,747 9,752 2,753 2,759 3,760 1,768 13,769 4,772 2,778 1,781 2,782 1,789 19,790 4,791 1,792 4,797 3,802 1,803 1,804 1,823 2,838 1,855 2,859 3,862 21,871 1,876 1,886 2.5,889 1,893 11.583,894 8.067,895 4.583,896 2.286,898 2.801,899 1.447,900 0.925,901 4.616,902 9.07,903 3.434,904 3.97,905 4.431,906 4.856,907 5.4,908 5.448,909 5.82,910 6.205,911 6.529,912 6.759,913 0.857,914 27,915 7.717,917 3.124,918 7.758,919 14.643,921 11.377,924 2.258,925 47.417,928 1,929 211.88,930 124.737,931 51.337,933 25.145,936 124.737,937 237.025,938 51.337,939 26.476,940 18.011,941 85.286,942 29.85,943 8.27,944 33.326,945 211.88,947 211.88,948 176.073,949 25.145,952 211.88,953 25.145,956 44.486,957 98.261,958 33.326,960 211.88,961 76.482,962 124.737,965 211.88,966 12.975,967 111.762,968 18.011,969 58.471,970 211.88,971 76.482,972 124.737,973 0.585,974 0.309,975 0.132,976 0.077,977 13,978 6,979 0.098,980 4,982 1,983 3.394,984 143.972,986 12,987 79.484,993 15.084,994 6.426,995 4.623,997 76.482,998 16.842,1003 2.309,1005 18.011,1006 413.098,1007 30,1013 11.877,1016 8.302,1017 -0.013,1020 39.702,1021 45.026,1022 0.272,1023 0.557,1024 0.622,1025 0.718,1026 0.759,1027 0.768,1028 4.644,1029 1,1030 5.46,1031 2.275,1032 4.111,1033 4.654,1034 1.953,1035 6.229,1036 4.084,1037 5.859,1038 0.681,1039 7.013,1040 2.136,1041 3.892,1042 4.35,1043 1.593,1044 7.402,1045 3.865,1046 7.158,1047 -0.049,1048 8.687,1049 1.577,1050 5.746,1051 6.754,1052 2.904,1053 10.283,1054 5.697,1055 8.49,1056 -0.554,1057 10.436,1058 -0.117,1059 6.312,1060 7.156,1061 3.032,1062 12.27,1063 6.278,1064 9.85,1065 -0.891,1066 12.236,1067 -1.316,1068 7.719,1069 9.086,1070 4.037,1071 14.803,1072 7.67,1073 11.231,1074 -1,1075 14.073,1076 -2.031,1077 8.621,1078 9.822,1079 4.409,1080 17.077,1081 8.591,1082 12.627,1083 -1,1084 15.937,1085 -2.347,1086 9.87,1087 11.518,1088 5.25,1089 19.531,1090 9.835,1091 3.293,1092 -1,1093 17.822,1094 -3,1095 10.923,1096 12.443,1097 5.75,1098 21.905,1099 10.906,1100 2.667,1101 11.368,1102 19.722,1103 -3,1104 12.119,1105 14,1106 6.501,1107 24.341,1108 12.103,1109 2.498,1110 7.471,1111 21.634,1112 3.718,1113 13.242,1114 15.045,1115 7.068,1116 26.751,1117 13.239,1118 2.172,1119 6.984,1120 23.556,1121 3.526,1122 14.423,1123 16.513,1124 7.771,1125 29.183,1126 14.425,1127 1.504,1128 6.377,1129 25.486,1130 3.439,1131 15.58,1132 17.637,1133 8.374,1134 31.606,1135 15.591,1136 1.361,1137 3.687,1138 27.421,1139 2.813,1140 16.76,1141 19.048,1142 9.051,1143 34.037,1144 16.777,1145 1,1146 3.141,1147 29.361,1148 2.155,1149 17.932,1150 20.225,1151 9.674,1152 36.465,1153 17.956,1154 4673,1155 7489,1156 14.099,1157 26.563,1158 33.44,1159 33.542,1160 32.575,1161 32.375,1162 32.353,1163 42.917,1164 4.112,1165 90.03,1166 31.954,1167 5.23,1168 5.943,1169 6.86,1170 5.308,1171 5.293,1172 6.718,1173 3.306,1174 18.19,1175 5.302,1176 11.473,1177 1.52,1178 1.525,1179 1.481,1180 1.472,1181 1.471,1182 1.951,1183 0.187,1184 4.092,1185 1.452,1186 3.963,1187 4.002,1188 3.908,1189 3.868,1190 7.428,1191 3.872,1192 3.861,1193 3.895,1194 3.793,1195 3.791,1196 5.025,1197 3.786,1198 3.747,1199 3.792,1200 3.644,1201 3.629,1202 4.718,1203 3.624,1204 3.227,1205 3.304,1206 3.154,1207 2.975,1208 4.468,1209 3.011,1210 3.011,1211 3.076,1212 2.913,1213 2.771,1214 4.254,1215 2.791,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 3.778,1221 2.715,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.602,1231 2.618,1232 3.674,1233 2.57,1234 0.2,1235 0.179,1236 0.321,1237 0.195,1238 0.15,1239 4.391,1240 0.169,1241 3.943,1242 0.087,1243 7.058,1244 0.517,1245 4.297,1246 0.15,1247 3.293,1248 3.718,1249 1.907,1250 11.368,1251 3.302,1252 1.914,1253 1.882,1254 2.025,1255 2.033,1256 1.185,1257 2.03,1258 1.861,1259 1.83,1260 1.996,1261 1.963,1262 1.064,1263 1.974,1264 1.741,1265 1.695,1266 1.946,1267 1.883,1268 1.036,1269 1.907,1270 1.112,1271 1.047,1272 1.417,1273 1.412,1274 0.469,1275 1.371,1276 0.934,1277 0.855,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.256,1285 1.239,1286 0.238,1287 1.308,1288 0.914,1289 0.821,1290 1.181,1291 1.2,1292 0.218,1293 1.167,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.807,1302 5.106,1304 6.583,1306 8.128,1308 9.703,1310 5.639,1317 2.872,1322 -0.411,1326 24.993,1327 57.925,1328 118.534,1329 132.309,1330 152.838,1331 161.593,1332 163.593,1333 37.593,1334 6.269,1335 53.82,1336 53.82,1337 12,1338 11.805,1339 3.907,1340 3.17,1341 39.671,1342 81,1343 66,1344 0.246,1345 160.013,1346 276.81,1347 382.193,1348 3889,1350 15.295,1351 0.728,1352 0.595,1353 15.295,1354 12.499,1355 9.949,1356 0.452,1357 0.311,1358 6.775,1359 9.687,1360 6.447,1361 5.503,1362 9.949,1363 6.833,1364 9.471,1365 0.316,1366 0.193,1367 9.471,1368 5.787,1369 6.84,1370 0.207,1371 0.086,1372 6.84,1373 2.843,1374 4.557,1375 0.13,1376 0.044,1377 4.557,1378 1.54,1379 3.844,1380 0.087,1381 0.024,1382 3.844,1383 1.076,1384 0.396,1385 61.585,1386 0.266,1387 21.438,1388 0.642,1389 104,1390 287.359,1391 111.71,1392 287.07,1393 388.79,1394 266,1395 115,1396 287.352,1397 123.237,1398 295.852,1399 417.01,1400 275,1401 6.796}
{0 CHEMBL1385111,1 1.844,2 14.971,3 4.51,4 20.34,5 133.996,6 8.801,7 0.595,8 4.175,9 4.262,10 3.945,11 3.696,12 5.364,13 3.679,14 4.668,15 4.804,16 4.347,17 4.019,18 5.792,19 3.989,20 4.709,21 4.839,22 4.319,23 4.049,24 5.857,25 4.029,26 4.803,27 4.938,28 4.329,29 4.129,30 5.927,31 4.09,32 4.929,33 5.091,34 4.354,35 4.166,36 6.048,37 4.102,38 4.897,39 5.087,40 4.278,41 4.131,42 5.986,43 4.018,44 4.844,45 5.1,46 4.073,47 3.995,48 5.768,49 3.84,50 4.542,51 4.741,52 3.935,53 3.802,54 5.535,55 3.676,56 0.185,57 0.862,58 9.91,59 5.594,60 11.382,61 5.793,62 0.651,63 1.307,64 28.923,65 9.336,66 34.554,67 9.324,68 0.741,69 1.342,70 24.085,71 9.001,72 35.671,73 9.504,74 0.628,75 1.501,76 25.414,77 9.864,78 33.14,79 10.409,80 1.1,81 1.619,82 33.204,83 11.354,84 57.796,85 12.116,86 0.872,87 1.62,88 32.249,89 11.701,90 52.023,91 13.408,92 0.808,93 1.488,94 42.188,95 12.386,96 52.943,97 14.435,98 0.608,99 1.167,100 29.243,101 8.64,102 37.287,103 8.631,104 34,105 50,106 0.3,107 0.595,108 0.754,109 0.8,110 0.814,111 0.837,112 3.56,113 0.975,114 -3.88,115 -3.84,116 -3.65,120 38.6,121 1,125 3,126 2,143 6,144 1,145 5,162 2,163 2,167 2,174 5,176 2,177 9,180 1,182 2,185 4,188 2,189 14,192 2,194 2,197 1,200 1,201 8,206 2,209 2,213 7,214 6,219 1,222 5,226 8,227 4,235 5,239 2,240 4,243 2,247 4,252 6,255 1,260 3,264 5,269 1,271 1,274 2100,275 23.651,276 23.651,277 23.651,278 23.651,279 23.651,280 21.051,281 28.541,282 14.063,283 24.988,284 18.072,285 18.072,286 18.072,287 18.072,288 18.072,289 13.919,290 37.487,291 6.343,292 19.924,293 3.989,294 2.171,295 1.198,296 0.913,297 0.83,298 0.685,299 4.256,307 1,308 1086,309 3.606,312 207.321,313 254.045,320 2.329,321 31.196,324 0.75,325 0.5,326 0.67,327 0.7,328 0.5,329 0.5,330 0.5,331 0.59,332 75.5,333 509,334 4.476,335 4.438,336 6.556,337 4.07,338 3.112,339 4.186,340 3.272,341 10.395,342 2.985,343 4.251,344 3.378,345 6.17,346 3.835,347 2.907,348 3.862,349 0.86,350 9.186,351 2.721,352 4.153,353 3.149,354 6.118,355 3.744,356 2.793,357 3.752,358 0.86,359 8.976,360 2.647,361 4.05,362 3.061,363 5.63,364 3.5,365 2.658,366 3.664,367 0.86,368 7.803,369 2.216,370 3.574,371 2.745,372 5.301,373 3.212,374 2.262,375 2.904,376 0.86,377 6.782,378 2.139,379 3.355,380 2.555,381 5.19,382 2.972,383 2.061,384 2.604,385 0.4,386 6.118,387 1.867,388 3.227,389 2.486,390 4.904,391 2.797,392 1.947,393 2.421,395 5.696,396 1.64,397 2.939,398 2.112,399 4.356,400 2.522,401 1.596,402 2.107,404 4.112,405 1.475,406 2.837,407 1.972,408 4.311,409 2.385,410 1.429,411 1.964,413 3.929,414 1.347,415 2.751,416 1.904,417 3.683,418 2.3,419 1.366,420 1.844,422 3.042,423 1.263,424 2.244,425 1.476,426 3.629,427 1.939,428 1.073,429 1.179,431 2.233,432 0.929,433 2.212,434 1.288,435 3.305,436 1.919,437 1,438 1.131,440 1.849,441 0.9,442 2.156,443 1.251,444 3.272,445 1.688,446 0.781,447 1.09,449 1.742,450 0.694,451 2.103,452 0.958,453 3.118,454 1.655,455 0.691,456 0.991,458 1.658,459 0.661,460 1.7,461 0.916,462 3.092,463 1.27,464 0.456,465 0.558,467 1.124,468 0.359,469 16.333,470 0.48,471 0.615,472 0.018,473 45.5,474 1.338,475 23,476 0.676,477 22.5,478 0.662,479 29.559,480 0.869,481 37.067,482 0.65,483 34.351,484 1.01,485 9.111,486 0.268,487 7.532,488 0.222,489 0.122,491 0.306,496 0.881,497 1.186,498 0.696,499 1.013,500 0.804,501 0.928,502 1.266,503 1.055,504 0.817,505 0.903,506 1.077,507 0.737,508 1.104,509 1.067,510 0.82,511 0.939,512 0.982,513 0.86,514 1.19,515 1.269,516 0.991,517 1.105,518 1.126,519 1.074,520 1.136,521 1.021,522 1.018,523 0.973,524 1.131,525 1.026,526 0.781,527 1.102,528 1.011,529 1.06,530 0.852,531 1.126,532 0.753,533 0.811,534 1.078,535 0.923,536 0.843,537 0.796,538 1.209,539 0.933,540 1.448,541 1.123,542 1.361,543 0.979,544 6.5,545 0.132,546 3.333,547 2.042,548 2.167,549 0.934,550 0.706,551 0.41,552 0.209,553 0.211,554 18687,555 58173,556 2.077,557 40.4,559 19,562 1,564 3,567 1.754,568 1.962,569 3.825,570 -0.246,575 105.106,576 1.844,577 3.661,578 4.635,579 4.92,580 5.003,581 5.148,582 3.209,583 4.676,584 5.061,585 4.038,586 2265.56,587 8.841,588 37086.1,593 332.475,594 1.333,595 5.026,596 0.176,597 0.004,598 0.067,599 0.04,600 0.042,601 0.019,602 0.016,603 0.012,604 0.007,605 0.008,606 0.391,607 0.33,608 0.63,609 1.026,610 186.674,611 -0.022,612 -0.066,613 0.076,614 -0.049,615 -0.004,616 -0.029,617 -0.083,618 -0.023,619 0.218,620 0.15,621 -0.018,622 0.204,623 0.044,624 -0.034,625 0.079,626 0.026,627 0.04,628 0.053,629 -0.14,630 -0.214,631 -0.094,632 -0.141,633 -0.138,634 -0.162,635 0.026,636 -0.009,637 -0.06,638 -0.011,639 -0.034,640 -0.1,641 0.14,642 -0.078,643 0.001,644 -0.061,645 0.113,646 -0.152,647 0.061,648 0.167,649 0.162,650 0.186,651 0.116,652 0.278,653 -0.246,654 0.173,655 -0.144,656 0.058,657 -0.313,658 0.014,659 1.318,660 2.338,661 0.647,662 41.737,663 1.022,664 1.125,665 2.654,666 7.044,667 0.692,668 3.638,669 3.932,670 4.22,671 4.477,672 4.625,673 4.682,674 4.796,675 4.883,676 4.92,677 4.956,678 8.815,679 0.663,680 501.64,681 3.638,682 5.165,683 6.014,684 6.884,685 7.75,686 8.625,687 9.495,688 10.371,689 11.244,690 12.121,691 8.8,699 1,701 4,709 6,710 4,712 1,713 1,714 10,716 22,729 1,735 4,738 57,739 22,740 2,741 37,743 60,744 22,745 16,746 6,747 6,752 4,753 4,759 1,768 16,769 6,789 23,790 10,791 1,792 12,793 2,797 5,803 1,804 5,822 2,823 2,855 4,856 1,857 2,859 4,862 34,869 2,871 1,872 4,873 1,886 8.8,891 5,893 17.333,894 11.717,895 7.861,896 3.155,898 4.147,899 1.511,900 0.956,901 8.611,902 12.257,903 3.892,904 4.483,905 5.074,906 5.639,907 6.035,908 6.299,909 6.674,910 7.023,911 7.303,912 7.528,913 0.9,914 51,915 12.46,917 5.084,918 7.716,919 23.542,921 18.205,924 2.216,925 75.333,929 258.964,930 204.778,931 84.663,933 53.507,935 63.497,936 141.281,937 312.471,938 84.663,939 41.474,940 5.492,941 56.857,942 76.692,943 98.934,945 322.461,947 258.964,948 225.943,949 53.507,950 63.497,952 223.651,953 88.82,956 42.869,957 116.423,958 66.652,959 63.497,960 258.964,961 138.17,962 204.778,965 258.964,966 106.446,967 98.332,968 18.011,969 120.159,970 258.964,971 138.17,972 204.778,973 0.562,974 0.346,975 0.198,976 0.103,977 22,978 10,979 0.183,980 11,982 1,983 4.567,984 304.254,986 22,987 162.974,989 2,993 24.726,994 11.84,995 6.009,997 138.17,998 11.214,999 16.725,1001 5.838,1002 1.428,1003 6.006,1005 18.011,1006 601.912,1007 48,1020 58.251,1021 64.115,1022 0.316,1023 0.628,1024 0.795,1025 0.843,1026 0.858,1027 0.883,1028 5.109,1029 1.596,1030 5.979,1031 5.696,1032 4.615,1033 5.17,1034 3.355,1035 6.774,1036 4.444,1037 6.303,1038 1.429,1039 7.525,1040 4.112,1041 4.111,1042 4.913,1044 7.636,1045 3.88,1046 7.604,1047 1.366,1048 9.168,1049 3.929,1050 6.192,1051 7.36,1052 5.459,1053 10.715,1054 5.891,1055 8.944,1056 1.073,1057 10.869,1058 3.042,1059 6.553,1060 7.96,1062 12.4,1063 6.193,1064 10.316,1065 1,1066 12.607,1067 2.233,1068 8.041,1069 9.819,1070 7.808,1071 14.971,1072 7.637,1073 11.71,1074 0.781,1075 14.37,1076 1.849,1077 8.792,1078 10.809,1080 16.995,1081 8.332,1082 13.119,1083 0.691,1084 16.151,1085 1.742,1086 10.046,1087 12.422,1088 10.177,1089 19.394,1090 9.551,1091 3.112,1092 0.456,1093 17.946,1094 1.658,1095 10.98,1096 13.606,1098 21.569,1099 10.435,1100 2.907,1101 10.395,1102 19.75,1103 1.124,1104 12.138,1105 15.105,1106 12.548,1107 23.906,1108 11.559,1109 2.793,1110 9.186,1111 21.563,1112 4.186,1113 13.158,1114 16.388,1116 26.152,1117 12.534,1118 2.658,1119 8.976,1120 23.382,1121 3.862,1122 14.278,1123 17.834,1124 14.919,1125 28.47,1126 13.621,1127 2.262,1128 7.803,1129 25.208,1130 3.752,1131 15.341,1132 19.169,1134 30.751,1135 14.642,1136 2.061,1137 6.782,1138 27.038,1139 3.664,1140 16.449,1141 20.591,1142 17.29,1143 33.065,1144 15.715,1145 1.947,1146 6.118,1147 28.872,1148 2.904,1149 17.533,1150 21.956,1152 35.366,1153 16.759,1154 17932,1155 31923,1156 24.849,1157 39.449,1158 53.989,1159 57.399,1160 56.644,1161 53.785,1162 53.879,1163 70.324,1164 14.225,1165 151.721,1166 49.068,1167 5.318,1168 6.438,1169 6.328,1170 5.271,1171 5.112,1172 7.186,1173 6.545,1174 17.316,1175 4.985,1176 16.527,1177 1.459,1178 1.551,1179 1.531,1180 1.454,1181 1.456,1182 1.901,1183 0.384,1184 4.101,1185 1.326,1186 4.005,1187 4.017,1188 4.304,1189 3.893,1190 5.26,1191 3.898,1192 3.928,1193 3.953,1194 3.97,1195 3.841,1196 5.022,1197 3.839,1198 3.758,1199 3.774,1200 3.846,1201 3.727,1202 4.945,1203 3.638,1204 3.673,1205 3.699,1206 3.733,1207 3.456,1208 4.83,1209 3.488,1210 3.46,1211 3.533,1212 3.405,1213 3.257,1214 4.58,1215 3.245,1216 3.303,1217 3.355,1218 3.265,1219 3.058,1220 4.46,1221 3.036,1222 3.245,1223 3.309,1224 3.144,1225 3.006,1226 4.374,1227 3.026,1228 3.189,1229 3.264,1230 3.034,1231 2.903,1232 4.136,1233 2.899,1234 0.121,1235 0.12,1236 0.177,1237 0.11,1238 0.084,1239 4.476,1240 0.113,1241 4.438,1242 0.088,1243 6.556,1244 0.281,1245 4.07,1246 0.081,1247 3.112,1248 4.186,1249 3.272,1250 10.395,1251 2.985,1252 1.882,1253 1.875,1254 1.99,1255 2.002,1256 1.082,1257 1.994,1258 1.88,1259 1.858,1260 1.946,1261 1.995,1262 1.074,1263 1.981,1264 1.474,1265 1.47,1266 1.786,1267 1.696,1268 0.923,1269 1.729,1270 1.457,1271 1.382,1272 1.59,1273 1.653,1274 0.868,1275 1.648,1276 1.265,1277 1.252,1278 1.576,1279 1.558,1280 0.584,1281 1.565,1282 1.246,1283 1.199,1284 1.559,1285 1.544,1286 0.578,1287 1.544,1288 1.227,1289 1.163,1290 1.531,1291 1.496,1292 0.565,1293 1.511,1294 1.164,1295 1.077,1296 1.293,1297 1.479,1298 0.451,1299 1.451,1300 4.317,1302 5.617,1303 3.045,1304 7.107,1305 5.283,1306 8.688,1307 7.261,1308 10.318,1310 6.602,1315 1.028,1317 3.254,1318 21.781,1319 1.457,1326 37.796,1327 105.106,1328 208.7,1329 264.171,1330 280.436,1331 285.191,1332 293.455,1333 54.063,1334 8.11,1335 113.65,1336 167.19,1337 22,1338 12.66,1339 4.524,1340 3.585,1341 57.342,1342 185,1343 166,1344 0.151,1345 239.169,1346 405.69,1347 575.332,1348 44810,1350 23.916,1351 0.703,1352 0.608,1353 24.623,1354 20.658,1355 16.643,1356 0.45,1357 0.325,1358 10.125,1359 14.806,1360 9.647,1361 8.075,1362 17.506,1363 12.028,1364 14.031,1365 0.281,1366 0.177,1367 15.376,1368 8.831,1369 12.186,1370 0.182,1371 0.097,1372 13.678,1373 6.489,1374 10.303,1375 0.118,1376 0.053,1377 11.84,1378 4.643,1379 7.889,1380 0.078,1381 0.031,1382 9.374,1383 3.153,1384 0.246,1385 115.779,1386 0.201,1387 32.134,1388 0.388,1389 174,1390 635.312,1391 255.31,1392 628.753,1393 861.74,1394 594,1395 204,1396 611.341,1397 271.267,1398 637.952,1399 932.59,1400 593,1401 4.663}
{0 CHEMBL1385332,1 1.542,2 12.25,3 2.106,4 4.433,5 92.619,6 7.009,7 0.423,8 3.944,9 4.065,10 3.46,11 3.417,12 4.989,13 3.399,14 4.506,15 4.696,16 3.756,17 3.781,18 5.491,19 3.74,20 4.72,21 4.949,22 3.718,23 3.883,24 5.682,25 3.788,26 4.75,27 5.006,28 3.595,29 3.819,30 5.69,31 3.691,32 4.653,33 4.934,34 3.438,35 3.663,36 5.481,37 3.54,38 4.44,39 4.686,40 3.407,41 3.486,42 5.436,43 3.414,44 4.348,45 4.573,46 3.364,47 3.399,48 5.428,49 3.35,50 4.273,51 4.487,52 3.264,53 3.365,54 5.353,55 3.301,56 0.07,57 0.675,58 10.607,59 4.314,60 7.736,61 5.899,62 0.257,63 1.056,64 20.31,65 6.694,66 21.599,67 9.628,68 0.419,69 1.205,70 26.042,71 8.583,72 39.738,73 12.44,74 0.462,75 1.164,76 27.379,77 8.938,78 48.452,79 13.178,80 0.335,81 1.021,82 25.334,83 7.681,84 35.315,85 11.659,86 0.332,87 0.864,88 20.225,89 5.605,90 34.553,91 8.545,92 0.391,93 0.778,94 18.595,95 5,96 36.442,97 7.277,98 0.336,99 0.723,100 17.028,101 4.914,102 35.926,103 7.024,104 5,105 34,106 0.266,107 0.581,108 0.744,109 0.816,110 0.816,111 0.816,112 3.227,113 0.963,114 -2.89,115 -2.9,116 -2.8,120 38.3,121 1,122 1,126 6,143 5,144 2,147 1,153 1,159 1,167 1,174 7,177 4,180 1,182 1,185 9,188 2,189 4,192 1,194 1,197 7,200 1,201 5,204 2,209 3,214 6,219 1,222 2,226 1,227 5,232 2,235 1,239 1,240 4,243 1,245 2,247 1,251 1,252 1,257 1,260 2,263 1,264 2,269 1,271 2,274 882,275 16.413,276 16.413,277 16.413,278 16.413,279 16.413,280 15.015,281 17.238,282 10.026,283 16.763,284 12.848,285 12.848,286 12.848,287 12.848,288 12.848,289 10.709,290 20.256,291 4.808,292 13.346,293 4.013,294 2.185,295 1.242,296 0.825,297 0.825,298 0.825,299 3.911,305 1,306 1,307 1,308 631,309 3.082,312 73.769,313 180.157,320 2.083,321 20.74,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 52.5,333 294,334 4.354,335 3.562,336 6.253,337 3.976,338 2.982,339 4.021,340 1.058,341 9.429,342 2.962,343 4.008,344 2.888,345 5.908,346 3.64,347 2.643,348 3.539,349 0.86,350 8.191,351 2.63,352 3.641,353 2.882,354 5.34,355 3.437,356 2.52,357 2.989,358 0.8,359 6.965,360 2.309,361 3.52,362 2.499,363 5.042,364 3.273,365 2.273,366 2.522,368 6.081,369 2.27,370 3.113,371 2.176,372 4.474,373 2.724,374 1.757,375 2.304,377 4.511,378 1.698,379 2.646,380 1.984,381 3.966,382 2.497,383 1.558,384 1.655,386 3.403,387 1.464,388 2.5,389 1.679,390 3.673,391 2.221,392 1.302,393 1.5,395 3.042,396 1.179,397 2.477,398 1.256,399 3.414,400 2,401 1,402 1.458,404 2.314,405 1,406 2.266,407 1.211,408 3.359,409 1.952,410 1,411 1.19,413 2.275,414 0.946,415 2.151,416 1,417 3.257,418 1.919,419 0.939,420 1,422 2.136,423 0.912,424 2,425 0.826,426 3.247,427 1.665,428 0.672,429 0.977,431 1.637,432 0.667,433 1.445,434 0.691,435 2.725,436 1.259,437 0.285,438 0.316,440 0.627,441 0.275,442 1.113,443 0.038,444 2.402,445 0.784,446 -0.214,447 -0.269,449 -0.474,450 -0.213,451 0.63,452 -0.027,453 2.092,454 0.469,455 -0.492,456 -0.52,458 -1.085,459 -0.469,460 0.5,461 -0.36,462 2,464 -1,465 -1,467 -2.155,468 -0.846,469 11.2,470 0.467,471 0.452,472 0.019,473 27.25,474 1.135,475 11.5,476 0.479,477 15.75,478 0.656,479 19.286,480 0.804,481 27.2,482 0.579,483 18.789,484 0.783,485 5.605,486 0.234,487 6.116,488 0.255,489 0.074,491 0.259,496 0.722,497 1.433,498 0.823,499 1.245,500 0.567,501 1.078,502 1.087,503 1.147,504 0.972,505 1.017,506 0.662,507 0.97,508 0.951,509 0.982,510 1.04,511 1.026,512 0.813,513 1.044,514 0.781,515 0.993,516 0.965,517 1.048,518 1.009,519 1.042,520 0.969,521 0.922,522 0.856,523 0.851,524 0.959,525 0.836,526 1.24,527 1.038,528 1.002,529 0.914,530 1.297,531 0.907,532 1.626,533 0.892,534 1.137,535 0.843,536 1.744,537 0.891,538 1.607,539 0.975,540 1.197,541 0.935,542 2.552,543 0.987,544 4,545 0.085,546 2.444,547 0.813,548 0.873,549 0.566,550 0.324,551 0.278,552 0.156,553 0.075,554 7547,555 18376,556 2.089,557 48.9,558 3,559 17,562 1,565 2,567 1.661,568 2,569 3.583,570 -0.301,571 1,572 1,575 72.455,576 1.542,577 3.369,578 4.313,579 4.73,580 4.73,581 4.73,582 3.094,583 4.085,584 4.555,585 3.745,586 1033.65,587 7.818,588 13016.3,590 1,592 1,593 261.066,594 1.189,595 4.536,596 0.154,597 0.006,598 0.072,599 0.026,600 0.034,601 0.025,602 0.015,603 0.013,604 0.008,605 0.004,606 0.357,607 0.33,608 1,609 0.49,610 117.887,611 0.079,612 -0.166,613 0.072,614 -0.09,615 0.032,616 -0.025,617 -0.08,618 -0.014,619 -0.011,620 0.006,621 0.039,622 0.012,623 -0.002,624 0.052,625 -0.074,626 -0.034,627 0.062,628 -0.063,629 0.118,630 -0.042,631 0.006,632 -0.073,633 0.067,634 -0.057,635 -0.048,636 -0.023,637 0.134,638 0.09,639 -0.024,640 0.136,641 -0.088,642 -0.049,643 0.013,644 0.004,645 -0.026,646 0.025,647 -0.175,648 0.111,649 -0.085,650 0.062,651 -0.131,652 0.012,653 -0.21,654 0.024,655 -0.165,656 0.01,657 -0.356,658 -0.059,659 1.862,660 5.127,661 0.708,662 24.708,663 1.003,664 1.134,665 1.659,666 2.751,667 0.638,668 3.296,669 3.555,670 3.761,671 3.932,672 4.078,673 4.06,674 4.043,675 4.078,676 4.143,677 4.06,678 7.12,679 0.606,680 329.44,681 3.296,682 4.796,683 5.609,684 6.444,685 7.274,686 8.115,687 8.952,688 9.797,689 10.639,690 11.487,691 6.4,694 1,698 1,701 1,709 5,710 1,712 1,714 4,716 11,723 1,738 47,739 12,740 1,741 26,743 49,744 18,745 9,746 2,747 4,748 1,752 3,753 3,759 1,766 1,768 10,769 8,772 1,778 1,782 1,785 1,786 1,789 23,790 6,791 1,792 6,796 1,797 3,803 1,804 3,822 1,823 2,851 1,854 1,855 3,859 1,862 24,869 7,871 1,872 1,875 1,886 6.4,889 1,890 1,891 1,893 12,894 8.567,895 5.389,896 2.918,898 2.015,899 1.296,900 0.955,901 5.886,902 8.828,903 3.512,904 4.003,905 4.501,906 4.987,907 5.381,908 5.648,909 5.874,910 6.164,911 6.481,912 6.48,913 1,914 31,915 8.886,917 3.668,918 7.681,919 17.195,921 13.775,924 2.181,925 52.333,929 258.964,930 95.63,931 40.732,933 45.879,936 95.63,937 304.843,938 40.732,939 8.825,940 38.153,941 47.381,942 60.446,943 21.986,944 5.449,945 258.964,947 258.964,948 136.362,949 45.879,952 235.422,953 58.421,954 11,956 52.859,957 63.906,958 19.597,960 258.964,961 86.611,962 95.63,965 258.964,966 39.423,967 59.331,968 18.011,969 65.476,970 258.964,971 86.611,972 95.63,973 0.567,974 0.32,975 0.162,976 0.086,977 15,978 6,979 0.122,980 6,982 1,983 3.851,984 177.765,986 17,987 99.284,993 16.994,994 8.312,995 4.826,997 86.611,998 9.605,999 3.87,1001 5.28,1003 3.015,1005 18.011,1006 441.205,1007 32.5,1013 12.127,1017 -0.195,1020 47.123,1021 53.275,1022 0.278,1023 0.607,1024 0.776,1025 0.852,1026 0.852,1027 0.852,1028 4.716,1029 1,1030 5.549,1031 3.042,1032 4.234,1033 4.687,1034 1.737,1035 6.263,1036 4.173,1037 5.861,1038 1,1039 7.047,1040 2.314,1041 3.611,1042 4.29,1043 0.325,1044 6.969,1045 3.563,1046 7.123,1047 0.939,1048 8.643,1049 2.275,1050 5.733,1051 6.739,1052 1.622,1053 10.02,1054 5.631,1055 8.42,1056 0.672,1057 10.301,1058 2.136,1059 5.969,1060 7.242,1061 0.268,1062 11.594,1063 5.892,1064 9.755,1065 0.285,1066 11.998,1067 1.637,1068 7.501,1069 9.109,1070 1.587,1071 14.116,1072 7.376,1073 11.113,1074 -0.214,1075 13.723,1076 0.627,1077 8.141,1078 10.026,1079 0.188,1080 16.043,1081 8.041,1082 12.491,1083 -0.492,1084 15.468,1085 -0.474,1086 9.415,1087 11.645,1088 1.592,1089 18.38,1090 9.282,1091 2.982,1092 -1,1093 17.227,1094 -1.085,1095 10.261,1096 12.773,1097 0.125,1098 20.465,1099 10.146,1100 2.643,1101 9.429,1102 18.997,1103 -2.155,1104 11.419,1105 14.273,1106 1.624,1107 22.732,1108 11.281,1109 2.52,1110 8.191,1111 20.776,1112 4.021,1113 12.372,1114 15.513,1115 0.082,1116 24.892,1117 12.246,1118 2.273,1119 6.965,1120 22.561,1121 3.539,1122 13.477,1123 16.954,1124 1.676,1125 27.134,1126 13.338,1127 1.757,1128 6.081,1129 24.352,1130 2.989,1131 14.487,1132 18.257,1133 0.054,1134 29.33,1135 14.355,1136 1.558,1137 4.511,1138 26.147,1139 2.522,1140 15.571,1141 19.668,1142 1.742,1143 31.564,1144 15.431,1145 1.302,1146 3.403,1147 27.946,1148 2.304,1149 16.612,1150 21.006,1151 0.035,1152 33.779,1153 16.475,1154 7230,1155 11429,1156 17.682,1157 29.995,1158 38.244,1159 39.031,1160 38.549,1161 37.867,1162 37.862,1163 46.94,1164 5.437,1165 101.222,1166 36.621,1167 5.354,1168 5.562,1169 6.055,1170 5.08,1171 4.982,1172 7.021,1173 2.117,1174 15.795,1175 4.962,1176 8.922,1177 1.471,1178 1.501,1179 1.483,1180 1.456,1181 1.456,1182 1.805,1183 0.209,1184 3.893,1185 1.409,1186 4.011,1187 4.031,1188 3.972,1189 3.917,1190 7.429,1191 3.921,1192 3.83,1193 3.892,1194 3.727,1195 3.64,1196 5.206,1197 3.656,1198 3.762,1199 3.794,1200 3.686,1201 3.58,1202 4.692,1203 3.601,1204 3.546,1205 3.609,1206 3.409,1207 3.347,1208 4.627,1209 3.347,1210 3.235,1211 3.288,1212 3.124,1213 3.046,1214 4.189,1215 3.049,1216 3.111,1217 3.206,1218 2.895,1219 2.941,1220 3.88,1221 2.91,1222 3.077,1223 3.163,1224 2.866,1225 2.818,1226 3.852,1227 2.834,1228 2.854,1229 2.925,1230 2.689,1231 2.735,1232 3.674,1233 2.715,1234 0.167,1235 0.137,1236 0.24,1237 0.153,1238 0.115,1239 4.354,1240 0.155,1241 3.562,1242 0.041,1243 6.253,1244 0.363,1245 3.976,1246 0.114,1247 2.982,1248 4.021,1249 1.058,1250 9.429,1251 2.962,1252 1.93,1253 1.908,1254 2.045,1255 2.007,1256 1.298,1257 2.02,1258 1.765,1259 1.701,1260 1.985,1261 1.999,1262 1.154,1263 1.999,1264 1.595,1265 1.55,1266 1.815,1267 1.833,1268 1.092,1269 1.822,1270 1.449,1271 1.403,1272 1.626,1273 1.612,1274 0.825,1275 1.615,1276 1.266,1277 1.227,1278 1.513,1279 1.535,1280 0.739,1281 1.511,1282 1.153,1283 1.064,1284 1.498,1285 1.376,1286 0.581,1287 1.429,1288 0.994,1289 0.913,1290 1.315,1291 1.28,1292 0.484,1293 1.289,1294 0.888,1295 0.821,1296 1.181,1297 1.254,1298 0.218,1299 1.225,1300 3.97,1302 5.242,1303 2.398,1304 6.696,1305 4.595,1306 8.227,1307 6.605,1308 9.798,1310 2.028,1315 6.044,1317 2.893,1318 5.317,1321 2.348,1326 28.477,1327 72.455,1328 158.36,1329 202.701,1330 222.311,1331 222.311,1332 222.311,1333 38.361,1334 6.812,1335 67.6,1336 67.6,1337 17,1338 12.048,1339 3.7,1340 2.907,1341 39.665,1342 102,1343 94,1344 0.185,1345 176.06,1346 304.61,1347 421.346,1348 8570,1350 16.778,1351 0.699,1352 0.581,1353 16.778,1354 13.956,1355 11.72,1356 0.451,1357 0.321,1358 8.198,1359 11.143,1360 8.017,1361 6.63,1362 11.72,1363 8.343,1364 10.119,1365 0.298,1366 0.177,1367 10.119,1368 6.006,1369 8.292,1370 0.197,1371 0.098,1372 8.292,1373 4.119,1374 6.366,1375 0.127,1376 0.053,1377 6.366,1378 2.656,1379 4.871,1380 0.084,1381 0.03,1382 4.871,1383 1.757,1384 0.302,1385 74.328,1386 0.238,1387 24.284,1388 0.475,1389 120,1390 372.83,1391 134.159,1392 348.859,1393 470.66,1394 328,1395 136,1396 341.099,1397 151.159,1398 339.056,1399 489.79,1400 318,1401 4.718}
{0 CHEMBL1385433,1 1.525,2 11.152,3 3.112,4 9.682,5 117.157,6 8.027,7 0.333,8 4.134,9 4.216,10 3.756,11 3.668,12 5.322,13 3.676,14 4.69,15 4.811,16 4.15,17 4.059,18 5.931,19 4.053,20 4.974,21 5.128,22 4.263,23 4.213,24 6.13,25 4.195,26 5.099,27 5.257,28 4.301,29 4.17,30 6.339,31 4.189,32 5.067,33 5.21,34 4.396,35 4.145,36 6.562,37 4.184,38 5.028,39 5.166,40 4.323,41 4.212,42 6.429,43 4.223,44 5.108,45 5.27,46 4.288,47 4.284,48 6.575,49 4.246,50 5.069,51 5.277,52 4.154,53 4.275,54 6.207,55 4.195,56 0.114,57 0.726,58 9.685,59 5.447,60 14.795,61 6.102,62 0.692,63 1.209,64 20.299,65 8.875,66 59.186,67 10.362,68 0.697,69 1.561,70 29.025,71 11.702,72 76.532,73 13.855,74 1.063,75 1.633,76 36.274,77 12.323,78 144.925,79 13.542,80 1.749,81 1.545,82 35.804,83 11.545,84 190.417,85 12.838,86 1.008,87 1.559,88 31.874,89 11.894,90 154.129,91 13.027,92 1.495,93 1.697,94 36.278,95 13.195,96 225.92,97 15.571,98 0.541,99 1.711,100 34.219,101 14.186,102 65.825,103 18.431,104 28,105 51,106 0.249,107 0.577,108 0.763,109 0.83,110 0.864,111 0.87,112 3.533,113 0.876,114 -3.49,115 -3.46,116 -3.31,120 44.6,122 2,125 1,126 1,128 2,131 1,136 2,143 10,144 2,157 1,159 2,160 1,174 13,176 5,177 9,185 14,188 3,189 12,197 9,200 1,201 15,209 2,213 10,214 17,222 6,226 2,227 10,235 10,239 7,240 12,247 11,252 18,260 9,264 19,271 7,274 2002,275 22.275,276 22.275,277 22.275,278 22.275,279 22.275,280 20.16,281 22.229,282 13.142,283 22.679,284 17.68,285 17.68,286 17.68,287 17.68,288 17.68,289 14.339,290 25.855,291 6.154,292 18.175,293 4.282,294 2.269,295 1.134,296 0.719,297 0.513,298 0.478,299 4.224,306 1,307 1,308 787,309 4.359,312 75.417,313 312.448,316 140.01,320 1.759,321 57.237,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 73.5,333 368,334 4.689,335 4.125,336 7.787,337 4.6,338 3.646,339 3.803,340 2.475,341 14.703,342 3.472,343 4.144,344 3.814,345 6.611,346 3.846,347 2.892,348 3.625,349 2.222,350 10.379,351 2.77,352 3.983,353 3.663,354 6.009,355 3.694,356 2.7,357 3.447,358 1.727,359 8.476,360 2.657,361 3.891,362 3.544,363 5.746,364 3.519,365 2.534,366 3.169,367 1.277,368 7.459,369 2.495,370 3.656,371 3.381,372 5.349,373 3.362,374 2.367,375 2.831,376 0.879,377 6.963,378 2.367,379 3.601,380 2.774,381 5.128,382 3.256,383 2.24,384 2.787,385 0.636,386 6.147,387 2.216,388 3.234,389 2.43,390 4.82,391 2.761,392 1.767,393 2.473,394 0.57,395 4.732,396 1.745,397 2.951,398 2.182,399 4.324,400 2.598,401 1.638,402 2.099,403 0.262,404 4.025,405 1.561,406 2.842,407 1.746,408 4.283,409 2.441,410 1.444,411 1.837,413 3.415,414 1.433,415 2.569,416 1.74,417 3.758,418 2.213,419 1.264,420 1.517,422 3.083,423 1.181,424 2.5,425 1.461,426 3.602,427 2.045,428 1.05,429 1.5,431 2.526,432 1.031,433 2.5,434 1.324,435 3.571,436 2,437 1,438 1.5,440 2.136,441 1,442 2.429,443 1.258,444 3.247,445 2,446 1,447 1.36,449 2.136,450 1,451 2.191,452 1.116,453 3.247,454 1.664,455 0.705,456 0.895,458 1.8,459 0.668,460 1.764,461 1,462 3.146,463 1.394,464 0.427,465 0.545,467 0.981,468 0.406,469 15.233,470 0.462,471 0.827,472 0.025,473 40.75,474 1.235,475 19.5,476 0.591,477 21.25,478 0.644,479 29.375,480 0.89,481 35.767,482 0.639,483 37.782,484 1.145,485 8.571,486 0.26,487 7.36,488 0.223,489 0.12,490 0.033,491 0.289,496 0.687,497 1.264,498 0.685,499 1.145,500 0.544,501 0.96,502 0.712,503 1.06,504 0.837,505 0.993,506 0.537,507 0.956,508 0.971,509 1.161,510 0.98,511 1.139,512 0.866,513 1.075,514 1.567,515 1.074,516 1.123,517 1.012,518 1.466,519 0.958,520 1.255,521 0.828,522 0.942,523 0.783,524 1.367,525 0.774,526 1.36,527 1.077,528 1.07,529 1.021,530 1.463,531 0.976,532 0.992,533 0.895,534 1.089,535 0.9,536 0.896,537 0.994,538 0.628,539 1.145,540 0.885,541 1.186,542 0.643,543 1.121,544 7,545 0.198,546 4.222,547 2.889,548 2.807,549 1.601,550 1.078,551 0.831,552 0.444,553 0.26,554 13675,555 41710,556 2.054,557 41.1,559 19,563 2,565 2,567 1.762,568 1.913,569 3.395,570 -0.751,572 1,575 85.422,576 1.525,577 3.539,578 4.674,579 5.088,580 5.294,581 5.33,582 2.912,583 4.62,584 5.009,585 3.577,586 1888.49,587 8.831,588 27198.2,590 1,593 325.212,594 1.554,595 4.964,596 0.194,597 0.007,598 0.083,599 0.053,600 0.051,601 0.027,602 0.019,603 0.015,604 0.009,605 0.006,606 0.464,607 0.33,608 1,609 0.871,610 171.748,611 -0.028,612 -0.153,613 0.053,614 -0.088,615 -0.03,616 -0.016,617 0.174,618 0.022,619 0.021,620 0.008,621 0.088,622 -0.024,623 -0.041,624 -0.12,625 -0.058,626 -0.159,627 -0.069,628 -0.124,629 -0.253,630 -0.092,631 -0.092,632 -0.071,633 -0.231,634 -0.044,635 0.213,636 0.157,637 0.113,638 0.147,639 0.077,640 0.114,641 -0.143,642 -0.077,643 -0.097,644 -0.053,645 -0.086,646 -0.06,647 0.113,648 0.099,649 -0.105,650 0.072,651 0.222,652 -0.045,653 0.035,654 -0.166,655 0.057,656 -0.174,657 0.065,658 -0.075,659 2.62,660 6.129,661 0.636,662 35.051,663 1.02,664 1.117,665 2.257,666 5.094,667 0.671,668 3.611,669 3.951,670 4.248,671 4.554,672 4.86,673 4.949,674 5.075,675 5.198,676 5.215,677 5.193,678 6.605,679 0.657,680 449.49,681 3.611,682 5.165,683 6.028,684 6.93,685 7.828,686 8.746,687 9.662,688 10.59,689 11.518,690 12.453,691 1.8,698 1,709 10,714 2,716 12,726 1,738 56,739 17,740 2,741 36,743 59,744 25,745 12,746 2,747 10,748 4,752 4,753 5,763 4,764 1,766 4,768 18,769 7,770 1,772 5,778 4,780 2,782 4,786 1,789 23,790 8,792 8,797 1,803 0.75,804 7,819 1,822 1,823 3,826 1,836 1,841 1,845 2,852 1,855 3,859 1,862 33,869 3,872 3,874 2,875 1,876 1,886 12.5,889 4,891 3,893 17.25,894 10.283,895 7.347,896 3.204,898 1.888,899 1.243,900 0.935,901 6.73,902 9.642,903 3.871,904 4.369,905 4.832,906 5.259,907 5.735,908 5.738,909 5.981,910 6.182,911 6.386,912 6.518,913 0.875,914 55,915 12.437,917 5.593,918 8.073,919 22.738,921 18.804,924 2.573,925 84.917,928 1,929 270.735,930 166.909,931 3.124,933 133.579,936 166.909,937 404.315,938 3.124,939 10.883,940 12.786,941 113.715,942 120.096,943 39.371,944 6.763,945 270.735,947 270.735,948 170.034,949 133.579,952 247.193,953 157.122,956 12.786,957 138.295,958 18.952,960 270.735,961 136.704,962 166.909,965 270.735,966 42.311,967 127.722,969 133.579,970 270.735,971 136.704,972 166.909,973 0.579,974 0.345,975 0.19,976 0.117,977 24,978 11,979 0.136,980 8,981 1,982 1.095,983 4.19,984 318.008,985 0.095,986 21,987 158.465,993 22.905,994 9.696,995 4.75,997 136.704,998 17.44,1003 1.08,1006 574.348,1007 47,1013 50.882,1015 2.784,1017 -2.35,1020 57.113,1021 62.531,1022 0.263,1023 0.609,1024 0.805,1025 0.876,1026 0.912,1027 0.918,1028 5.13,1029 1.638,1030 6.043,1031 4.732,1032 4.635,1033 5.056,1034 3.465,1035 6.932,1036 4.579,1037 6.322,1038 1.444,1039 7.653,1040 4.025,1041 4.369,1042 4.771,1043 2.692,1044 8.236,1045 4.283,1046 7.63,1047 1.264,1048 9.384,1049 3.415,1050 6.326,1051 7.076,1052 4.686,1053 11.372,1054 6.198,1055 8.971,1056 1.05,1057 11.193,1058 3.083,1059 6.929,1060 7.549,1061 4.729,1062 13.593,1063 6.745,1064 10.348,1065 1,1066 13.058,1067 2.526,1068 8.395,1069 9.36,1070 6.16,1071 16.366,1072 8.172,1073 11.75,1074 1,1075 14.964,1076 2.136,1077 9.383,1078 10.178,1079 6.6,1080 18.903,1081 9.095,1082 13.172,1083 0.705,1084 16.901,1085 2.136,1086 10.696,1087 11.777,1088 7.763,1089 21.599,1090 10.363,1091 3.646,1092 0.427,1093 18.862,1094 1.8,1095 11.854,1096 12.779,1097 8.411,1098 24.237,1099 11.457,1100 2.892,1101 14.703,1102 20.841,1103 0.981,1104 13.129,1105 14.268,1106 9.44,1107 26.921,1108 12.682,1109 2.7,1110 10.379,1111 22.835,1112 3.803,1113 14.36,1114 15.378,1115 10.201,1116 29.591,1117 13.853,1118 2.534,1119 8.476,1120 24.84,1121 3.625,1122 15.633,1123 16.804,1124 11.161,1125 32.275,1126 15.074,1127 2.367,1128 7.459,1129 26.854,1130 3.447,1131 16.895,1132 17.983,1133 11.983,1134 34.956,1135 16.281,1136 2.24,1137 6.963,1138 28.876,1139 3.169,1140 18.174,1141 19.369,1142 12.909,1143 37.641,1144 17.508,1145 1.767,1146 6.147,1147 30.903,1148 2.831,1149 19.451,1150 20.594,1151 13.764,1152 40.326,1153 18.732,1154 13203,1155 23198,1156 23.75,1157 37.563,1158 55.046,1159 57.475,1160 56.687,1161 53.636,1162 53.72,1163 67.208,1164 20.098,1165 158.429,1166 52.34,1167 5.652,1168 6.125,1169 7.589,1170 5.688,1171 5.646,1172 6.803,1173 4.225,1174 22.904,1175 5.472,1176 16.472,1177 1.529,1178 1.597,1179 1.575,1180 1.49,1181 1.492,1182 1.867,1183 0.558,1184 4.401,1185 1.454,1186 4.039,1187 4.064,1188 3.983,1189 3.911,1190 7.44,1191 3.922,1192 3.9,1193 3.929,1194 3.83,1195 3.837,1196 7.431,1197 3.831,1198 3.888,1199 3.915,1200 3.821,1201 3.816,1202 7.428,1203 3.814,1204 3.601,1205 3.613,1206 3.544,1207 3.401,1208 7.426,1209 3.429,1210 3.402,1211 3.409,1212 3.344,1213 3.114,1214 4.782,1215 3.156,1216 3.325,1217 3.335,1218 3.27,1219 3.058,1220 4.738,1221 3.104,1222 3.195,1223 3.231,1224 3.069,1225 2.967,1226 4.585,1227 2.979,1228 3.078,1229 3.137,1230 2.937,1231 2.922,1232 4.48,1233 2.918,1234 0.13,1235 0.115,1236 0.216,1237 0.128,1238 0.101,1239 4.689,1240 0.106,1241 4.125,1242 0.069,1243 7.787,1244 0.408,1245 4.6,1246 0.096,1247 3.646,1248 3.803,1249 2.475,1250 14.703,1251 3.472,1252 1.906,1253 1.884,1254 2.033,1255 2.016,1256 1.304,1257 2.014,1258 1.903,1259 1.876,1260 2.019,1261 1.994,1262 1.134,1263 2.005,1264 1.83,1265 1.804,1266 1.964,1267 1.946,1268 1.084,1269 1.954,1270 1.608,1271 1.577,1272 1.763,1273 1.847,1274 1.067,1275 1.816,1276 1.257,1277 1.234,1278 1.57,1279 1.577,1280 0.614,1281 1.554,1282 1.208,1283 1.175,1284 1.471,1285 1.493,1286 0.581,1287 1.482,1288 1.129,1289 1.084,1290 1.344,1291 1.384,1292 0.474,1293 1.351,1294 1.058,1295 1.011,1296 1.267,1297 1.266,1298 0.425,1299 1.28,1300 4.29,1302 5.624,1303 2.398,1304 7.163,1305 4.949,1306 8.799,1307 7.261,1308 10.493,1310 1.21,1315 -0.184,1318 16.236,1320 -1.988,1321 1.175,1322 -1.37,1326 36.82,1327 85.422,1328 198.164,1329 261.728,1330 284.947,1331 296.457,1332 298.457,1333 94.69,1334 7.754,1335 99.21,1336 99.21,1337 23,1338 12.953,1339 4.17,1340 3.585,1341 53.828,1342 126,1343 151,1344 0.206,1345 223.572,1346 413.31,1347 537.276,1348 23459,1350 23.424,1351 0.71,1352 0.546,1353 23.424,1354 18.009,1355 15.931,1356 0.443,1357 0.292,1358 10.323,1359 15.188,1360 10.115,1361 8.322,1362 15.931,1363 10.506,1364 14.317,1365 0.281,1366 0.155,1367 14.317,1368 7.921,1369 12.149,1370 0.176,1371 0.085,1372 12.149,1373 5.875,1374 9.96,1375 0.106,1376 0.045,1377 9.96,1378 4.263,1379 8.775,1380 0.069,1381 0.024,1382 8.775,1383 3.059,1384 0.314,1385 101.184,1386 0.205,1387 30.158,1388 0.596,1389 174,1390 613.794,1391 197.672,1392 567.67,1393 748.86,1394 528,1395 207,1396 524.339,1397 229.933,1398 523.016,1399 769.69,1400 489,1401 4.733}
{0 CHEMBL1385668,1 1.601,2 10.407,3 2.831,4 8.012,5 97.439,6 8.142,7 0.533,8 3.942,9 4.03,10 3.576,11 3.46,12 5.137,13 3.478,14 4.46,15 4.589,16 3.958,17 3.845,18 5.718,19 3.853,20 4.678,21 4.828,22 4.025,23 3.985,24 5.856,25 3.97,26 4.715,27 4.876,28 3.991,29 3.996,30 5.907,31 3.961,32 4.773,33 4.951,34 3.873,35 3.899,36 6.059,37 3.852,38 4.72,39 4.946,40 3.801,41 3.715,42 6.147,43 3.677,44 4.441,45 4.639,46 3.531,47 3.545,48 5.699,49 3.519,50 4.263,51 4.438,52 3.522,53 3.546,54 5.435,55 3.512,56 0.125,57 0.625,58 7.867,59 4.094,60 13.515,61 4.541,62 0.429,63 1.006,64 15.66,65 6.674,66 47.465,67 7.751,68 0.655,69 1.211,70 21.069,71 8.271,72 51.619,73 9.645,74 0.411,75 1.267,76 21.084,77 8.995,78 34.415,79 10.916,80 0.699,81 1.246,82 25.219,83 9.384,84 83.388,85 11.152,86 0.905,87 1.142,88 27.185,89 8.588,90 126.802,91 11.406,92 0.684,93 0.883,94 19.773,95 6.082,96 87.685,97 7.14,98 0.313,99 0.774,100 14.502,101 5.836,102 35.546,103 7.047,104 18,105 43,106 0.273,107 0.65,108 0.777,109 0.859,110 0.874,111 0.882,112 3.34,113 0.853,114 -2.89,115 -2.9,116 -2.8,120 44.4,122 1,125 1,126 2,143 7,144 2,145 3,153 2,159 2,168 1,172 1,174 7,177 6,178 1,180 2,182 3,185 7,186 1,188 2,189 8,192 1,194 3,197 6,198 2,201 7,204 1,206 3,209 5,210 2,213 1,214 4,215 1,217 2,219 3,220 1,222 4,223 2,226 2,227 5,230 2,231 1,232 4,235 3,239 1,240 5,245 1,247 3,248 2,252 5,257 2,260 5,261 1,263 1,264 3,265 1,269 1,271 4,274 1050,275 18.206,276 18.206,277 18.206,278 18.206,279 18.206,280 15.953,281 23.851,282 10.668,283 18.602,284 14.817,285 14.817,286 14.817,287 14.817,288 14.817,289 11.302,290 33.633,291 5.047,292 15.45,293 3.891,294 1.685,295 0.942,296 0.461,297 0.372,298 0.328,299 4.036,305 1,306 1,307 1,308 616,309 3.464,312 56.767,313 209.461,316 108.268,317 116.8,320 1.473,321 36.42,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 60,333 281,334 4.777,335 3.734,336 7.095,337 4.335,338 3.362,339 4.732,340 1.987,341 12.24,342 3.271,343 4.283,344 3.579,345 6.185,346 3.875,347 2.93,348 3.92,349 1.437,350 9.238,351 2.768,352 3.849,353 3.249,354 5.956,355 3.474,356 2.498,357 3.3,358 0.86,359 8.039,360 2.433,361 3.774,362 3.135,363 5.654,364 3.421,365 2.429,366 3.052,367 0.86,368 7.394,369 2.392,370 3.483,371 2.436,372 5.386,373 3.1,374 2.136,375 2.824,376 0.324,377 6.791,378 2.048,379 3.271,380 2.242,381 4.779,382 2.828,383 1.841,384 2.491,386 5.198,387 1.803,388 3.084,389 2.174,390 4.414,391 2.601,392 1.618,393 2.276,395 4.353,396 1.586,397 2.923,398 2.051,399 4.343,400 2.53,401 1.603,402 2.061,404 3.76,405 1.469,406 2.668,407 1.8,408 3.685,409 2.316,410 1.395,411 1.683,413 2.999,414 1.271,415 2.475,416 1.32,417 3.612,418 2.162,419 1.169,420 1.473,422 2.749,423 1.151,424 2.345,425 1.12,426 3.602,427 1.911,428 0.923,429 1.277,431 2.311,432 0.91,433 1.918,434 1.02,435 3.184,436 1.6,437 0.698,438 0.826,440 1.613,441 0.622,442 1.263,443 0.742,444 3.006,445 1.022,446 0.065,447 0.074,449 0.18,450 0.062,451 1.185,452 0.547,453 2.658,454 0.8,455 -0.188,456 -0.229,458 -0.467,459 -0.181,460 0.883,461 0.35,462 2.387,463 0.48,464 -0.506,465 -0.652,467 -1.228,468 -0.492,469 12.467,470 0.462,471 0.716,472 0.027,473 36.5,474 1.352,475 18.5,476 0.685,477 18,478 0.667,479 20.066,480 0.743,481 28.933,482 0.643,483 28.743,484 1.065,485 7.509,486 0.278,487 5.533,488 0.205,489 0.12,491 0.393,496 0.822,497 1.246,498 0.708,499 1.051,500 0.67,501 0.885,502 0.86,503 1.083,504 0.786,505 0.934,506 0.495,507 0.853,508 1.004,509 0.967,510 0.991,511 0.905,512 0.895,513 0.933,514 0.834,515 1.253,516 1.015,517 1.262,518 0.823,519 1.195,520 1.168,521 1.139,522 1.182,523 1.178,524 1.579,525 1.193,526 0.849,527 0.911,528 0.83,529 0.874,530 1.075,531 0.851,532 1.433,533 0.693,534 1.165,535 0.659,536 1.743,537 0.791,538 0.962,539 0.945,540 0.924,541 0.965,542 0.935,543 0.937,544 5,545 0.184,546 2.889,547 2.924,548 1.708,549 1.045,550 0.532,551 0.372,552 0.235,553 0.228,554 8925,555 26854,556 2.097,557 40,559 14,562 2,563 2,567 1.701,568 1.952,569 3.298,570 0.267,571 1,572 1,575 72.027,576 1.601,577 3.807,578 4.549,579 5.031,580 5.12,581 5.164,582 2.656,583 4.31,584 4.731,585 3.492,586 1225.7,587 8.212,588 15619.3,590 1,592 1,593 247.133,594 1.447,595 4.681,596 0.167,597 0.008,598 0.067,599 0.065,600 0.041,601 0.03,602 0.017,603 0.014,604 0.009,605 0.009,606 0.426,607 0.33,608 1,609 0.76,610 133.145,611 -0.089,612 -0.12,613 0.033,614 -0.032,615 -0.084,616 0.021,617 0.017,619 0.063,620 0.053,621 0.128,622 0.067,623 -0.049,624 0.084,625 -0.09,626 0.07,627 -0.093,628 -0.003,629 -0.044,630 -0.218,631 -0.132,632 -0.273,633 -0.008,634 -0.232,635 -0.108,636 -0.176,637 -0.195,638 -0.208,639 -0.183,640 -0.231,641 0.219,642 0.022,643 0.259,644 0.073,645 0.289,646 0.156,647 -0.232,648 0.296,649 -0.116,650 0.272,651 -0.265,652 0.151,653 -0.109,654 0.045,655 0.005,656 0.038,657 -0.046,658 0.053,659 2.726,660 5.592,661 0.704,662 21.588,663 1.02,664 1.119,665 1.662,666 2.764,667 0.675,668 3.434,669 3.784,670 4.094,671 4.419,672 4.635,673 4.673,674 4.727,675 4.779,676 4.779,677 4.745,678 6.235,679 0.663,680 366.4,681 3.434,682 4.99,683 5.861,684 6.763,685 7.653,686 8.561,687 9.459,688 10.37,689 11.271,690 12.183,691 4.4,698 1,699 1,708 2,709 7,714 5,715 1,716 16,725 1,735 2,738 45,739 18,740 2,741 30,743 48,744 20,745 14,746 5,747 7,748 1,752 4,753 6,766 1,768 16,769 4,772 2,778 2,782 2,785 1,786 1,789 18,790 6,791 2,792 7,797 2,803 0.5,804 5,818 1,822 1,823 3,826 1,827 1,838 1,853 1,855 2,859 1,862 27,868 1,869 3,871 1,872 2,886 11.1,888 1,889 2,891 2,893 13.833,894 8.4,895 5.861,896 2.565,898 3.251,899 1.427,900 0.983,901 4.701,902 10.87,903 3.714,904 4.353,905 4.974,906 5.625,907 6.153,908 6.441,909 6.745,910 7.026,911 7.075,912 7.136,913 0.857,914 45,915 10.028,917 4.406,918 7.981,919 18.65,921 15.396,924 2.481,925 67,928 1,929 188.338,930 115.967,931 19.91,933 114.973,936 115.967,937 303.311,938 19.91,939 8.396,940 29.73,941 66.334,942 98.588,943 42.901,944 4.901,945 188.338,947 188.338,948 135.877,949 114.973,952 188.338,953 114.973,956 31.629,957 104.248,960 188.338,961 134.883,962 115.967,965 188.338,966 41.237,967 76.629,968 18.011,969 114.973,970 188.338,971 134.883,972 115.967,973 0.586,974 0.35,975 0.206,976 0.114,977 22,978 10,979 0.083,980 4,981 2,982 1.211,983 3.838,984 237.821,985 0.211,986 19,987 128.382,993 17.737,994 7.157,995 3.348,996 1.534,997 132.984,998 12.507,1003 2.405,1004 1.602,1005 60.694,1006 439.187,1007 40,1013 24.322,1017 -1.36,1020 45.909,1021 50.365,1022 0.291,1023 0.693,1024 0.828,1025 0.916,1026 0.932,1027 0.94,1028 4.963,1029 1.603,1030 5.861,1031 4.353,1032 4.466,1033 5.04,1034 2.712,1035 6.718,1036 4.391,1037 6.19,1038 1.395,1039 7.446,1040 3.76,1041 4.111,1042 4.987,1043 1.593,1044 7.714,1045 4.015,1046 7.52,1047 1.169,1048 9.135,1049 2.999,1050 6.094,1051 7.312,1052 3.494,1053 10.869,1054 5.953,1055 8.889,1056 0.923,1057 10.886,1058 2.749,1059 6.567,1060 8.107,1061 3.168,1062 12.743,1063 6.399,1064 10.292,1065 0.698,1066 12.679,1067 2.311,1068 8.043,1069 9.942,1070 4.541,1071 15.435,1072 7.84,1073 11.722,1074 0.065,1075 14.501,1076 1.613,1077 8.908,1078 11.14,1079 4.654,1080 17.682,1081 8.675,1082 13.175,1083 -0.188,1084 16.346,1085 0.18,1086 10.191,1087 12.787,1088 5.731,1089 20.231,1090 9.928,1091 3.362,1092 -0.506,1093 18.208,1094 -0.467,1095 11.239,1096 14.176,1097 6.091,1098 22.632,1099 10.946,1100 2.93,1101 12.24,1102 20.085,1103 -1.228,1104 12.454,1105 15.753,1106 6.999,1107 25.142,1108 12.133,1109 2.498,1110 9.238,1111 21.974,1112 4.732,1113 13.584,1114 17.228,1115 7.5,1116 27.603,1117 13.235,1118 2.429,1119 8.039,1120 23.872,1121 3.92,1122 14.78,1123 18.782,1124 8.312,1125 30.104,1126 14.405,1127 2.136,1128 7.394,1129 25.78,1130 3.3,1131 15.947,1132 20.297,1133 8.894,1134 32.59,1135 15.546,1136 1.841,1137 6.791,1138 27.695,1139 3.052,1140 17.141,1141 21.844,1142 9.651,1143 35.091,1144 16.714,1145 1.618,1146 5.198,1147 29.617,1148 2.824,1149 18.326,1150 23.377,1151 10.279,1152 37.587,1153 17.873,1154 8424,1155 14738,1156 19.997,1157 30.375,1158 45.701,1159 47.412,1160 47.27,1161 45.302,1162 45.336,1163 59.981,1164 10.935,1165 133.728,1166 43.568,1167 5.721,1168 5.734,1169 6.782,1170 5.475,1171 5.362,1172 7.732,1173 3.497,1174 19.622,1175 5.271,1176 12.968,1177 1.523,1178 1.58,1179 1.576,1180 1.51,1181 1.511,1182 1.999,1183 0.364,1184 4.458,1185 1.452,1186 4.158,1187 4.187,1188 4.128,1189 4.071,1190 7.475,1191 4.081,1192 3.95,1193 3.966,1194 3.904,1195 3.84,1196 7.428,1197 3.852,1198 3.589,1199 3.62,1200 3.515,1201 3.444,1202 6.351,1203 3.452,1204 3.507,1205 3.546,1206 3.432,1207 3.283,1208 4.955,1209 3.309,1210 3.381,1211 3.432,1212 3.253,1213 3.182,1214 4.886,1215 3.194,1216 3.19,1217 3.221,1218 3.078,1219 2.908,1220 4.381,1221 2.93,1222 3.001,1223 3.041,1224 2.895,1225 2.789,1226 4.247,1227 2.825,1228 2.89,1229 2.928,1230 2.78,1231 2.725,1232 4.213,1233 2.726,1234 0.159,1235 0.124,1236 0.236,1237 0.144,1238 0.112,1239 4.777,1240 0.158,1241 3.734,1242 0.066,1243 7.095,1244 0.408,1245 4.335,1246 0.109,1247 3.362,1248 4.732,1249 1.987,1250 12.24,1251 3.271,1252 1.945,1253 1.923,1254 2.04,1255 2.041,1256 1.199,1257 2.037,1258 1.891,1259 1.874,1260 1.985,1261 2.021,1262 1.108,1263 2.012,1264 1.694,1265 1.663,1266 1.816,1267 1.882,1268 1.007,1269 1.86,1270 1.439,1271 1.391,1272 1.688,1273 1.695,1274 0.916,1275 1.686,1276 1.331,1277 1.277,1278 1.59,1279 1.549,1280 0.692,1281 1.562,1282 1.09,1283 1.049,1284 1.281,1285 1.406,1286 0.314,1287 1.365,1288 0.913,1289 0.884,1290 1.143,1291 1.174,1292 0.202,1293 1.162,1294 0.856,1295 0.811,1296 1.109,1297 1.073,1298 0.167,1299 1.082,1300 4.111,1302 5.451,1303 2.398,1304 6.991,1305 4.949,1306 8.625,1307 7.222,1308 10.308,1310 1.689,1314 9.6,1315 0.914,1317 2.804,1318 10.985,1326 29.831,1327 72.027,1328 171.301,1329 204.727,1330 226.379,1331 230.379,1332 232.379,1333 51.867,1334 7.619,1335 89.79,1336 89.79,1337 23,1338 12.699,1339 4.248,1340 3.459,1341 40.228,1342 102,1343 98,1344 0.193,1345 180.267,1346 314.61,1347 431.611,1348 22248,1350 18.966,1351 0.702,1352 0.544,1353 18.966,1354 14.69,1355 13.042,1356 0.435,1357 0.284,1358 8.378,1359 12.405,1360 8.208,1361 6.74,1362 13.042,1363 8.534,1364 12.017,1365 0.279,1366 0.146,1367 12.017,1368 6.292,1369 10.03,1370 0.17,1371 0.078,1372 10.03,1373 4.578,1374 9.081,1375 0.111,1376 0.042,1377 9.081,1378 3.41,1379 7.263,1380 0.071,1381 0.022,1382 7.263,1383 2.267,1384 0.302,1385 82.829,1386 0.224,1387 25.761,1388 0.534,1389 146,1390 491.07,1391 164.197,1392 459.988,1393 621.55,1394 430,1395 175,1396 451.635,1397 192.786,1398 451.126,1399 665.67,1400 425,1401 5.709}
{0 CHEMBL1385771,1 1.802,2 9.2,3 3.05,4 9.304,5 80.134,6 9.724,7 0.286,8 3.564,9 3.657,10 3.348,11 3.187,12 4.782,13 3.162,14 4.064,15 4.208,16 3.742,17 3.545,18 5.272,19 3.505,20 4.31,21 4.463,22 4.05,23 3.659,24 5.735,25 3.609,26 4.251,27 4.414,28 3.687,29 3.496,30 5.651,31 3.428,32 4.181,33 4.41,34 3.382,35 3.324,36 5.491,37 3.234,38 3.898,39 4.087,40 3.42,41 3.18,42 5.25,43 3.135,44 3.74,45 3.853,46 3.402,47 3.125,48 5.246,49 3.083,50 3.763,51 3.952,52 3.172,53 3.033,54 4.982,55 2.91,56 0.089,57 0.43,58 3.473,59 2.642,60 7.655,61 3.085,62 0.224,63 0.673,64 8.961,65 4.514,66 20.538,67 5.374,68 0.553,69 0.772,70 20.252,71 6.071,72 56.337,73 6.853,74 0.469,75 0.71,76 14.953,77 5.911,78 55.91,79 6.716,80 0.456,81 0.657,82 18.911,83 6.004,84 72.848,85 7.366,86 0.332,87 0.502,88 14.031,89 4.199,90 41.483,91 4.8,92 0.28,93 0.422,94 7.172,95 3.307,96 38.405,97 3.214,98 0.3,99 0.399,100 12.523,101 3.903,102 40.974,103 4.251,104 27,105 29,106 0.339,107 0.674,108 0.806,109 0.841,110 0.841,111 0.841,112 3.057,113 0.973,114 -4.42,115 -4.35,116 -4.1,120 43.8,121 1,122 1,126 1,139 2,143 4,144 2,155 1,158 1,159 1,167 1,174 8,176 1,177 1,185 9,188 2,189 6,197 8,200 1,201 8,209 3,213 1,214 6,222 1,227 7,235 1,240 6,247 3,252 3,260 4,264 2,271 3,274 468,275 13.146,276 13.146,277 13.146,278 13.146,279 13.146,280 11.719,281 11.609,282 7.534,283 13.392,284 10.197,285 10.197,286 10.197,287 10.197,288 10.197,289 7.925,290 8.194,291 3.44,292 10.722,293 3.198,294 1.414,295 0.711,296 0.524,297 0.524,298 0.524,299 3.71,303 2,305 1,306 1,307 1,308 377,309 2.828,313 140.689,320 1.42,321 27.821,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43.667,333 184,334 4.396,335 3.83,336 6.519,337 4.012,338 3.069,339 3.83,340 1.399,341 9.971,342 2.928,343 4.182,344 3.588,345 6.041,346 3.803,347 2.804,348 3.756,349 1.033,350 8.617,351 2.74,352 3.733,353 2.972,354 5.508,355 3.392,356 2.401,357 3.072,359 6.931,360 2.385,361 3.463,362 2.703,363 5.275,364 3.073,365 2.17,366 2.593,368 6.587,369 1.846,370 3.092,371 2.352,372 4.559,373 2.61,374 1.664,375 2.138,377 4.421,378 1.537,379 2.808,380 1.95,381 4.072,382 2.33,383 1.314,384 1.81,386 3.389,387 1.311,388 2.5,389 1.877,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 1.908,398 1.281,399 3.062,400 1.501,401 0.507,402 0.58,404 0.886,405 0.5,406 1.641,407 1,408 2.783,409 1.269,410 0.311,411 0.396,413 0.647,414 0.253,415 1.521,416 0.655,417 2.68,418 0.968,419 0.225,420 0.284,422 0.475,423 0.141,424 0.816,425 0.397,426 2.341,427 0.46,428 -0.533,429 -0.633,431 -1.049,432 -0.499,433 0.656,434 -0.238,435 2,436 0.299,437 -0.702,438 -0.882,440 -1.71,441 -0.632,442 0.5,443 -0.399,444 1.709,446 -1,447 -1.425,449 -2.862,450 -0.841,452 -0.765,453 1.535,454 -0.279,455 -1.182,456 -1.5,458 -3,459 -1,461 -1,462 1.369,463 -0.427,464 -1.361,465 -1.578,467 -3.644,468 -1.129,469 9.895,470 0.495,471 0.562,472 0.028,473 24.25,474 1.213,475 12,476 0.6,477 12.25,478 0.613,479 15.391,480 0.77,481 21.305,482 0.666,483 17.179,484 0.859,485 4.886,486 0.244,487 4.638,488 0.232,489 0.262,491 0.344,496 0.52,497 1.148,498 0.503,499 0.848,500 0.521,501 0.835,502 0.653,503 1.168,504 0.577,505 0.806,506 0.612,507 0.813,508 0.727,509 1.016,510 0.698,511 0.95,512 0.876,513 0.919,514 0.85,515 1.223,516 0.765,517 1.213,518 1.126,519 1.206,520 0.857,521 0.93,522 0.697,523 0.834,524 0.908,525 0.851,526 0.973,527 0.859,528 0.839,529 0.838,530 0.929,531 0.754,532 1.27,533 1.139,534 0.864,535 1.009,536 1.457,537 1.054,538 1.391,539 0.927,540 1.22,541 0.904,542 1.372,543 1.02,544 4.5,545 0.066,546 3.111,547 1.375,548 1.227,549 0.667,550 0.365,551 0.252,552 0.188,553 0.096,554 3537,555 13340,556 1.938,557 37.5,558 5,559 6,561 1,567 1.615,568 1.765,569 3.182,570 -0.689,572 1,574 1,575 57.677,576 1.802,577 3.586,578 4.289,579 4.476,580 4.476,581 4.476,582 2.709,583 3.646,584 4.293,585 3.288,586 624.809,587 7.323,588 6400.28,589 1,590 1,591 1,592 1,593 160,594 1.559,595 4.219,596 0.214,597 0.011,598 0.107,599 0.044,600 0.053,601 0.035,602 0.019,603 0.015,604 0.016,605 0.011,606 0.526,607 0.33,608 1,609 0.932,610 89.022,611 0.032,612 -0.013,613 0.009,614 -0.028,615 -0.027,616 -0.018,617 0.03,618 -0.076,619 0.084,620 0.06,621 -0.001,622 0.073,623 0.252,625 0.206,626 -0.018,627 0.105,628 0.001,629 0.134,630 -0.267,631 -0.001,632 -0.289,633 0.011,634 -0.264,635 0.08,636 -0.012,637 0.125,638 0.141,639 0.141,640 0.202,641 0.01,642 0.125,643 0.092,644 0.123,645 0.071,646 0.227,647 -0.122,648 -0.147,649 -0.052,650 -0.098,651 -0.094,652 -0.196,653 -0.29,654 -0.021,655 -0.101,656 0.12,657 -0.244,658 -0.007,659 2.238,660 5.086,661 0.6,662 13.8,663 1.025,664 1.119,665 3.194,666 10.2,667 0.725,668 3.091,669 3.401,670 3.638,671 3.738,672 3.912,673 3.892,674 3.807,675 3.689,676 3.761,677 3.714,678 5.321,679 0.697,680 311.18,681 3.091,682 4.615,683 5.451,684 6.304,685 7.155,686 8.012,687 8.867,688 9.725,689 10.582,690 11.441,691 6.3,698 1,700 1,709 4,714 2,716 6,721 1,738 32,739 10,740 1,741 21,743 33,744 14,745 6,746 2,747 4,748 5,749 2,752 2,753 2,754 2,755 1,759 1,766 1,768 11,769 3,771 2,772 4,778 2,780 1,781 1,782 4,785 1,786 1,789 12,790 4,792 6,793 2,797 2,803 1,804 2,823 2,845 2,855 2,859 1,860 2,862 20,869 2,875 1,885 2,886 6.3,889 2,893 11.333,894 6.186,895 4.528,896 1.988,898 1.838,899 1.296,900 0.946,901 4.709,902 8.046,903 3.367,904 3.902,905 4.41,906 4.778,907 5.21,908 5.291,909 5.347,910 5.231,911 5.591,912 5.831,913 1,914 31,915 7.388,917 3.133,918 8.111,919 13.55,921 10.672,924 2.611,925 52.222,929 141.253,930 83.628,931 19.665,932 78.297,933 50.29,936 83.628,937 269.84,938 19.665,939 8.825,940 7.642,941 37.905,942 87.948,943 23.034,945 129.482,946 78.297,947 141.253,948 103.293,949 50.29,950 78.297,952 141.253,953 50.29,956 33.13,957 54.114,958 94.346,960 141.253,961 69.955,962 161.926,965 141.253,966 27.851,967 58.779,969 145.25,970 141.253,971 69.955,972 161.926,973 0.586,974 0.355,975 0.162,976 0.083,977 13,978 7,979 0.121,980 4,982 1,983 3.155,984 141.527,986 12,987 82.439,993 14.919,994 6.313,995 3.357,997 69.955,998 7.254,1003 1.674,1006 373.134,1007 28,1013 23.875,1015 1.249,1016 3.805,1017 -0.832,1020 32.807,1021 35.795,1022 0.36,1023 0.717,1024 0.858,1025 0.895,1026 0.895,1027 0.895,1028 4.6,1029 0.507,1030 5.451,1031 2.275,1032 4.078,1033 4.585,1034 1.953,1035 6.244,1036 3.989,1037 5.812,1038 0.311,1039 7.022,1040 0.886,1041 3.761,1042 4.407,1044 7.144,1045 3.593,1046 7.122,1047 0.225,1048 8.69,1049 0.647,1050 5.673,1051 6.701,1052 2.392,1053 10.186,1054 5.519,1055 8.464,1056 -0.533,1057 10.411,1058 0.475,1059 6.133,1060 7.286,1062 11.836,1063 5.902,1064 9.835,1065 -0.702,1066 12.165,1067 -1.049,1068 7.544,1069 9.078,1070 2.913,1071 14.422,1072 7.321,1073 11.225,1074 -1,1075 13.939,1076 -1.71,1077 8.343,1078 10.009,1080 16.39,1081 8.054,1082 12.629,1083 -1.182,1084 15.729,1085 -2.862,1086 9.563,1087 11.587,1088 3.493,1089 18.809,1090 9.264,1091 3.069,1092 -1.361,1093 17.531,1094 -3,1095 10.52,1096 12.694,1098 20.93,1099 10.162,1100 2.804,1101 9.971,1102 19.342,1103 -3.644,1104 11.664,1105 14.164,1106 4.112,1107 23.277,1108 11.282,1109 2.401,1110 8.617,1111 21.16,1112 3.83,1113 12.695,1114 15.367,1116 25.477,1117 12.259,1118 2.17,1119 6.931,1120 22.985,1121 3.756,1122 13.81,1123 16.78,1124 4.754,1125 27.792,1126 13.34,1127 1.664,1128 6.587,1129 24.816,1130 3.072,1131 14.878,1132 18.036,1134 30.034,1135 14.356,1136 1.314,1137 4.421,1138 26.651,1139 2.593,1140 15.984,1141 19.417,1142 5.408,1143 32.336,1144 15.421,1145 1,1146 3.389,1147 28.49,1148 2.138,1149 17.071,1150 20.705,1152 34.601,1153 16.458,1154 3640,1155 7278,1156 13.235,1157 23.205,1158 31.819,1159 33.958,1160 32.751,1161 30.965,1162 30.932,1163 39.916,1164 4.864,1165 88.396,1166 29.282,1167 5.291,1168 5.83,1169 6.07,1170 5.047,1171 5.069,1172 6.83,1173 2.797,1174 17.139,1175 4.928,1176 12.081,1177 1.515,1178 1.617,1179 1.56,1180 1.475,1181 1.473,1182 1.901,1183 0.232,1184 4.209,1185 1.394,1186 3.97,1187 3.997,1188 4.098,1189 3.901,1190 7.432,1191 3.898,1192 3.82,1193 3.849,1194 3.889,1195 3.685,1196 7.423,1197 3.697,1198 3.492,1199 3.536,1200 3.477,1201 3.356,1202 5.003,1203 3.353,1204 3.259,1205 3.321,1206 3.364,1207 3.087,1208 4.703,1209 3.075,1210 2.954,1211 2.969,1212 3.209,1213 2.735,1214 4.496,1215 2.747,1216 2.854,1217 2.925,1218 2.968,1219 2.713,1220 4.375,1221 2.715,1222 2.824,1223 2.863,1224 2.761,1225 2.614,1226 3.996,1227 2.625,1228 2.559,1229 2.62,1230 2.687,1231 2.333,1232 3.674,1233 2.342,1234 0.209,1235 0.182,1236 0.31,1237 0.191,1238 0.146,1239 4.396,1240 0.182,1241 3.83,1242 0.067,1243 6.519,1244 0.475,1245 4.012,1246 0.139,1247 3.069,1248 3.83,1249 1.399,1250 9.971,1251 2.928,1252 1.944,1253 1.92,1254 2.063,1255 2.034,1256 1.218,1257 2.042,1258 1.712,1259 1.69,1260 1.79,1261 1.902,1262 0.954,1263 1.874,1264 1.478,1265 1.43,1266 1.694,1267 1.654,1268 0.8,1269 1.681,1270 1.242,1271 1.182,1272 1.445,1273 1.44,1274 0.61,1275 1.457,1276 0.886,1277 0.821,1278 1.181,1279 1.087,1280 0.218,1281 1.107,1282 0.808,1283 0.786,1284 1.068,1285 1.062,1286 0.215,1287 1.041,1288 0.743,1289 0.678,1290 0.915,1291 0.963,1293 0.99,1294 0.447,1295 0.405,1296 0.77,1297 0.756,1299 0.752,1300 3.761,1302 5.069,1304 6.581,1306 8.177,1308 9.814,1310 2.038,1311 11.415,1315 0.74,1321 1.004,1326 22.288,1327 57.677,1328 114.739,1329 137.245,1330 143.245,1331 143.245,1332 143.245,1333 47.623,1334 6.209,1335 51.96,1336 51.96,1337 12,1338 11.992,1339 3.459,1340 3,1341 36.548,1342 64,1343 68,1344 0.289,1345 148.031,1346 266.66,1347 352.957,1348 3305,1349 6.3,1350 14.698,1351 0.735,1352 0.614,1353 15.698,1354 12.28,1355 9.524,1356 0.454,1357 0.324,1358 6.051,1359 8.691,1360 5.821,1361 4.829,1362 10.101,1363 6.814,1364 8.435,1365 0.291,1366 0.173,1367 9.139,1368 5.028,1369 7.411,1370 0.2,1371 0.099,1372 8.449,1373 3.668,1374 5.118,1375 0.125,1376 0.048,1377 5.573,1378 1.982,1379 3.816,1380 0.078,1381 0.026,1382 4.137,1383 1.251,1384 0.449,1385 65.679,1386 0.275,1387 19.97,1388 0.797,1389 100,1390 357.168,1391 139.492,1392 402.365,1393 513.1,1394 370,1395 116,1396 317.812,1397 156.016,1398 339.632,1399 495.37,1400 318,1401 5.239}
{0 CHEMBL1386302,1 1.557,2 10.087,3 4.504,4 20.289,5 95.321,6 8.086,7 0.72,8 3.785,9 3.913,10 3.475,11 3.4,12 4.936,13 3.349,14 4.237,15 4.403,16 3.806,17 3.748,18 5.388,19 3.656,20 4.408,21 4.608,22 3.82,23 3.802,24 5.43,25 3.694,26 4.395,27 4.615,28 3.66,29 3.722,30 5.386,31 3.582,32 4.417,33 4.674,34 3.662,35 3.621,36 5.42,37 3.523,38 4.304,39 4.55,40 3.555,41 3.58,42 5.336,43 3.498,44 4.18,45 4.368,46 3.576,47 3.57,48 5.321,49 3.491,50 4.277,51 4.512,52 3.395,53 3.54,54 5.327,55 3.383,56 0.034,57 0.634,58 7.816,59 3.395,60 7.73,61 4.258,62 0.217,63 0.992,64 15.618,65 6.337,66 21.682,67 7.758,68 0.166,69 1.135,70 20.371,71 6.706,72 19.099,73 8.429,74 0.175,75 1.079,76 19.765,77 7.294,78 21.088,79 9.217,80 0.242,81 1.095,82 21.889,83 6.082,84 29.516,85 8.273,86 0.197,87 0.981,88 19.597,89 5.84,90 24.457,91 7.411,92 0.089,93 0.899,94 12.844,95 4.756,96 18.183,97 6.224,98 0.188,99 0.95,100 17.371,101 5.604,102 30.909,103 7.042,104 5,105 33,106 0.275,107 0.585,108 0.705,109 0.822,110 0.864,111 0.864,112 3.188,113 0.984,114 -5.76,115 -5.62,116 -5.24,120 42.5,121 1,126 1,143 9,144 1,145 2,150 1,151 2,164 1,165 1,166 1,174 9,176 3,179 2,180 4,182 2,185 11,189 2,194 3,197 8,201 4,203 1,204 2,205 1,206 1,208 1,209 2,214 11,219 2,224 1,227 8,232 2,237 2,240 7,245 7,247 2,249 5,252 3,257 5,260 3,262 3,264 1,269 2,271 5,273 1,274 720,275 15.654,276 15.654,277 15.654,278 15.654,279 15.654,280 13.35,281 18.522,282 9.576,283 16.124,284 12.394,285 12.394,286 12.394,287 12.394,288 12.394,289 9.074,290 30.055,291 4.633,292 13.202,293 3.765,294 2.004,295 1.322,296 0.659,297 0.419,298 0.419,299 3.873,306 1,307 1,308 497,309 2.449,313 234.28,320 1.656,321 13.028,323 1,324 0.75,325 0.83,326 1,327 0.6,329 1,330 1,331 0.74,332 48.5,333 232,334 4.251,335 4.435,336 6.072,337 3.841,338 2.894,339 3.883,340 3.272,341 8.837,342 2.77,343 4.094,344 3.102,345 5.705,346 3.643,347 2.705,348 3.719,349 0.4,350 7.983,351 2.504,352 3.892,353 2.973,354 5.344,355 3.432,356 2.508,357 3.443,359 6.976,360 2.313,361 3.352,362 2.633,363 4.983,364 2.959,365 2.034,366 2.61,368 5.916,369 1.873,370 3.274,371 2.132,372 4.734,373 2.844,374 1.935,375 2.527,377 5.255,378 1.756,379 2.911,380 1.914,381 4.121,382 2.437,383 1.485,384 2.08,386 3.641,387 1.414,388 2.874,389 1.653,390 3.635,391 2.414,392 1.414,393 2.042,395 3.137,396 1.397,397 2.803,398 1.546,399 3.598,400 2.362,401 1.388,402 1.926,404 2.964,405 1.348,406 2.5,407 1.434,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 1.824,416 1,417 3.12,418 1.446,419 0.613,420 0.72,422 1.446,423 0.498,424 1.46,425 0.481,426 2.948,427 1.14,428 0.188,429 0.231,431 0.459,432 0.178,433 0.983,434 0.387,435 2.446,436 0.565,437 -0.361,438 -0.46,440 -0.926,441 -0.325,442 0.959,443 -0.178,444 2.28,445 0.54,446 -0.379,447 -0.481,449 -0.979,450 -0.351,451 0.755,452 -0.222,453 2,454 0.39,455 -0.542,456 -0.647,458 -1.265,459 -0.498,460 0.626,461 -0.361,462 1.943,463 0.153,464 -0.801,465 -1.085,467 -1.962,468 -0.75,469 11.333,470 0.493,471 0.468,472 0.02,473 34.25,474 1.489,475 19.5,476 0.848,477 14.75,478 0.641,479 15.122,480 0.657,481 23.467,482 0.587,483 21.802,484 0.948,485 6.637,486 0.289,487 4.567,488 0.199,489 0.079,491 0.265,496 1.05,497 1.157,498 0.758,499 0.848,500 1.173,501 0.835,502 0.377,503 0.875,504 1.003,505 1.069,506 0.433,507 0.979,508 1.264,509 1.214,510 1.151,511 1.141,512 1.107,513 1.044,514 0.859,515 1.156,516 1.112,517 1.185,518 0.771,519 1.163,520 1.426,521 1.081,522 0.913,523 0.884,524 1.251,525 0.833,526 1.559,527 0.95,528 1.041,529 0.808,530 1.235,531 0.725,532 1.364,533 1.333,534 0.91,535 1.008,536 1.227,537 1.091,538 1.743,539 1.069,540 1.309,541 1.077,542 1.967,543 1.21,544 4.5,545 0.041,546 1.556,547 1.25,548 1.067,549 0.361,550 0.469,551 0.264,552 0.127,553 0.107,554 5991,555 15660,556 2.093,557 42.5,558 3,559 11,562 3,567 1.656,568 2,569 3.311,570 1.032,575 62.294,576 1.557,577 3.317,578 4,579 4.663,580 4.903,581 4.903,582 2.714,583 4.002,584 4.496,585 3.468,586 877.527,587 7.735,588 10256.2,590 1,593 212.877,594 1.214,595 4.473,596 0.18,597 0.003,598 0.047,599 0.04,600 0.041,601 0.014,602 0.017,603 0.01,604 0.007,605 0.008,606 0.369,607 0.17,608 0.88,609 0.503,610 108.75,611 -0.122,612 -0.048,613 0.05,614 0.066,615 -0.236,616 0.049,617 0.595,618 0.208,619 0.024,620 -0.035,621 0.404,622 -0.043,623 -0.155,624 -0.151,625 -0.073,626 -0.113,627 -0.206,628 -0.108,629 0.146,630 -0.154,631 -0.081,632 -0.177,633 0.088,634 -0.199,635 -0.112,636 -0.067,637 0.104,638 0.05,639 -0.05,640 0.104,641 -0.25,642 0.09,643 -0.009,644 0.144,645 -0.056,646 0.206,647 -0.21,648 -0.273,649 -0.108,650 -0.163,651 0.005,652 -0.213,653 -0.462,654 -0.019,655 -0.292,656 -0.128,657 -0.483,658 -0.297,659 1.445,660 1.809,661 0.783,662 19.709,663 0.997,664 1.123,665 4.526,666 20.486,667 0.706,668 3.258,669 3.526,670 3.714,671 3.932,672 4.111,673 4.043,674 4.111,675 4.19,676 4.29,677 4.248,678 6.047,679 0.661,680 323.46,681 3.258,682 4.762,683 5.572,684 6.415,685 7.238,686 8.085,687 8.913,688 9.762,689 10.594,690 11.444,691 12.5,695 1,699 1,701 3,707 1,709 9,710 3,714 6,716 18,728 1,729 1,738 40,739 18,740 2,741 25,743 42,744 17,745 15,746 3,747 9,752 3,753 3,759 1,768 15,769 2,786 1,789 17,790 5,791 3,792 6,793 1,797 5,803 1,823 3,855 3,856 1,857 1,859 1,862 23,863 1,869 1,871 1,873 1,893 11.5,894 7.35,895 5.111,896 2.182,898 3.156,899 1.465,900 1.002,901 4.985,902 9.944,903 3.555,904 4.135,905 4.637,906 5.158,907 5.649,908 5.621,909 5.863,910 6.267,911 6.677,912 6.936,913 0.857,914 31,915 8.422,917 3.437,918 7.623,919 16.138,921 12.697,924 2.123,925 48.833,928 1,929 164.795,930 140.85,931 101.265,935 32.22,936 108.63,937 164.795,938 101.265,939 8.825,940 0.9,941 118.183,942 50.357,943 27.832,944 3.798,945 197.015,947 164.795,948 209.895,950 32.22,952 167.123,956 31.534,957 125.676,958 50.357,959 32.22,960 164.795,961 101.265,962 140.85,965 164.795,966 46.738,967 94.111,968 18.011,969 83.254,970 164.795,971 101.265,972 140.85,973 0.568,974 0.316,975 0.17,976 0.092,977 15,978 6,979 0.119,980 5,982 1,983 3.647,984 173.646,986 18,987 98.042,989 1,993 15.629,994 7.337,995 4.362,997 101.265,998 18.089,999 12.819,1003 4.587,1005 50.908,1006 406.91,1007 34,1020 39.887,1021 44.903,1022 0.293,1023 0.623,1024 0.752,1025 0.876,1026 0.921,1027 0.921,1028 4.741,1029 1.388,1030 5.517,1031 3.137,1032 4.205,1033 4.82,1034 3.124,1035 6.229,1036 4.081,1037 5.926,1038 1,1039 7.008,1040 2.964,1041 3.611,1042 4.407,1044 6.862,1045 3.408,1046 7.2,1047 0.613,1048 8.591,1049 2.136,1050 5.7,1051 6.953,1052 5.44,1053 9.924,1054 5.45,1055 8.505,1056 0.188,1057 10.228,1058 1.446,1059 5.889,1060 7.296,1062 11.356,1063 5.555,1064 9.836,1065 -0.361,1066 11.899,1067 0.459,1068 7.438,1069 9.319,1070 7.807,1071 13.896,1072 7.072,1073 11.187,1074 -0.379,1075 13.594,1076 -0.926,1077 8.024,1078 10.057,1080 15.691,1081 7.581,1082 12.552,1083 -0.542,1084 15.306,1085 -0.979,1086 9.314,1087 11.808,1088 10.177,1089 18.017,1090 8.842,1091 2.894,1092 -0.801,1093 17.031,1094 -1.265,1095 10.112,1096 12.773,1098 19.991,1099 9.572,1100 2.705,1101 8.837,1102 18.766,1103 -1.962,1104 11.273,1105 14.366,1106 12.548,1107 22.223,1108 10.703,1109 2.508,1110 7.983,1111 20.509,1112 3.883,1113 12.185,1114 15.47,1116 24.287,1117 11.554,1118 2.034,1119 6.976,1120 22.259,1121 3.719,1122 13.282,1123 16.965,1124 14.919,1125 26.478,1126 12.619,1127 1.935,1128 5.916,1129 24.014,1130 3.443,1131 14.254,1132 18.155,1134 28.59,1135 13.537,1136 1.485,1137 5.255,1138 25.774,1139 2.61,1140 15.321,1141 19.591,1142 17.29,1143 30.763,1144 14.569,1145 1.414,1146 3.641,1147 27.538,1148 2.527,1149 16.326,1150 20.836,1152 32.9,1153 15.525,1154 5772,1155 9481,1156 16.989,1157 28.245,1158 36.553,1159 39.257,1160 36.937,1161 36.354,1162 36.329,1163 49.36,1164 7.345,1165 97.501,1166 34.104,1167 5.083,1168 6.435,1169 5.874,1170 4.951,1171 4.894,1172 6.883,1173 6.545,1174 14.974,1175 4.77,1176 8.412,1177 1.462,1178 1.57,1179 1.477,1180 1.454,1181 1.453,1182 1.974,1183 0.294,1184 3.9,1185 1.364,1186 3.963,1187 4.007,1188 4.035,1189 3.885,1190 5.256,1191 3.874,1192 3.878,1193 3.905,1194 3.879,1195 3.844,1196 4.803,1197 3.821,1198 3.775,1199 3.833,1200 3.735,1201 3.575,1202 4.739,1203 3.608,1204 3.211,1205 3.272,1206 3.424,1207 3.141,1208 4.664,1209 3.071,1210 3.171,1211 3.257,1212 3.001,1213 3.025,1214 4.086,1215 3,1216 3.084,1217 3.191,1218 2.944,1219 2.832,1220 3.895,1221 2.848,1222 2.854,1223 2.925,1224 2.79,1225 2.735,1226 3.767,1227 2.715,1228 2.828,1229 2.896,1230 2.687,1231 2.679,1232 3.674,1233 2.673,1234 0.17,1235 0.177,1236 0.243,1237 0.154,1238 0.116,1239 4.251,1240 0.155,1241 4.435,1242 0.131,1243 6.072,1244 0.353,1245 3.841,1246 0.111,1247 2.894,1248 3.883,1249 3.272,1250 8.837,1251 2.77,1252 1.919,1253 1.888,1254 2.037,1255 2.036,1256 1.137,1257 2.032,1258 1.88,1259 1.857,1260 1.985,1261 1.948,1262 1.087,1263 1.972,1264 1.671,1265 1.612,1266 1.735,1267 1.897,1268 0.849,1269 1.867,1270 1.209,1271 1.133,1272 1.552,1273 1.418,1274 0.604,1275 1.469,1276 1.172,1277 1.118,1278 1.355,1279 1.374,1280 0.385,1281 1.406,1282 0.993,1283 0.909,1284 1.233,1285 1.319,1286 0.218,1287 1.305,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.186,1293 1.107,1294 0.811,1295 0.748,1296 1.062,1297 1.006,1298 0.136,1299 1.04,1300 3.932,1302 5.209,1304 6.678,1306 8.232,1308 9.825,1310 2.027,1313 5.809,1315 0.638,1317 3.2,1319 1.664,1326 26.455,1327 62.294,1328 132.699,1329 159.983,1330 186.513,1331 196.122,1332 196.122,1333 26.202,1334 6.788,1335 76.72,1336 102.02,1337 18,1338 12.006,1339 4.248,1340 3.322,1341 36.867,1342 84,1343 78,1344 0.215,1345 170.416,1346 282.63,1347 407.575,1348 7856,1350 16.071,1351 0.699,1352 0.589,1353 16.424,1354 13.547,1355 11.204,1356 0.448,1357 0.328,1358 7.23,1359 10.441,1360 6.923,1361 5.806,1362 11.658,1363 8.2,1364 9.883,1365 0.299,1366 0.183,1367 10.461,1368 6.024,1369 7.771,1370 0.194,1371 0.105,1372 8.467,1373 4.21,1374 6.445,1375 0.129,1376 0.057,1377 7.087,1378 2.831,1379 5.039,1380 0.084,1381 0.032,1382 5.745,1383 1.921,1384 0.339,1385 73.684,1386 0.243,1387 22.852,1388 0.583,1389 116,1390 315.441,1391 147.913,1392 338.1,1393 469.98,1394 318,1395 131,1396 340.606,1397 158.589,1398 360.761,1399 521.05,1400 339,1401 4.719}
{0 CHEMBL1386918,1 2.104,2 8.789,3 2.868,4 8.227,5 72.831,6 11.027,7 0.55,8 3.449,9 3.53,10 3.376,11 3.065,12 4.809,13 3.046,14 3.865,15 3.945,16 3.752,17 3.412,18 5.441,19 3.371,20 4.052,21 4.195,22 3.702,23 3.36,24 5.406,25 3.321,26 3.983,27 4.154,28 3.525,29 3.177,30 5.428,31 3.162,32 3.818,33 3.959,34 3.39,35 2.967,36 5.344,37 2.982,38 3.64,39 3.783,40 3.314,41 2.934,42 5.155,43 2.909,44 3.53,45 3.633,46 3.239,47 2.956,48 5.359,49 2.885,50 3.469,51 3.623,52 3.123,53 2.928,54 4.688,55 2.786,56 0.194,57 0.418,58 1.678,59 2.101,60 12.645,61 1.79,62 0.343,63 0.614,64 4.221,65 3.712,66 45.938,67 3.362,68 0.446,69 0.682,70 11.952,71 4.721,72 47.487,73 3.75,74 0.479,75 0.58,76 12.687,77 4.656,78 58.447,79 4.621,80 0.511,81 0.494,82 10.257,83 3.331,84 63.64,85 2.164,86 0.397,87 0.409,88 8.552,89 3.292,90 53.572,91 3.014,92 0.394,93 0.373,94 4.903,95 2.739,96 63.974,97 2.516,98 0.244,99 0.359,100 8.461,101 3.549,102 36.363,103 3.416,104 18,105 27,106 0.405,107 0.666,108 0.791,109 0.888,110 0.902,111 0.902,112 3.008,113 0.955,114 -3.59,115 -3.57,116 -3.4,120 40.7,143 5,145 3,152 1,154 1,160 1,167 2,174 2,176 1,177 2,180 2,181 1,182 3,185 6,189 4,194 2,197 2,201 3,204 1,206 5,209 1,214 2,217 2,219 2,226 1,227 2,230 1,232 2,235 2,239 2,243 2,247 3,252 2,260 3,264 5,271 2,274 428,275 12.378,276 12.378,277 12.378,278 12.378,279 12.378,280 10.549,281 18.277,282 7.381,283 12.847,284 9.884,285 9.884,286 9.884,287 9.884,288 9.884,289 7.17,290 27.881,291 3.542,292 10.686,293 2.651,294 1.301,295 0.652,296 0.148,297 0.074,298 0.074,299 3.661,303 1,306 1,307 1,308 344,309 3.162,312 57.946,313 69.207,320 1.402,321 26.771,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42.833,333 167,334 4.311,335 3.783,336 6.006,337 3.793,338 2.872,339 4.018,340 2.612,341 8.607,342 2.65,343 4.072,344 3.562,345 5.603,346 3.641,347 2.696,348 3.662,349 1.656,350 7.72,351 2.529,352 3.782,353 2.965,354 5.319,355 3.326,356 2.383,357 3.184,358 0.247,359 6.77,360 2.23,361 3.492,362 2.6,363 4.88,364 2.987,365 2.055,366 2.769,368 5.624,369 1.9,370 3.168,371 2.307,372 4.5,373 2.675,374 1.726,375 2.371,377 4.601,378 1.558,379 2.699,380 1.709,381 3.653,382 2.166,383 1.189,384 1.744,386 2.658,387 1.14,388 2.65,389 1.278,390 3.477,391 1.979,392 1.08,393 1.663,395 2.555,396 0.949,397 2.176,398 1,399 3.253,400 1.524,401 0.66,402 0.999,404 1.607,405 0.554,406 1.193,407 0.757,408 2.858,409 0.872,410 -0.069,411 -0.081,413 -0.192,414 -0.064,415 1,416 0.573,417 2.24,418 0.563,419 -0.398,420 -0.505,422 -0.927,423 -0.258,424 0.997,425 0.216,426 2,427 0.366,428 -0.482,429 -0.638,431 -1.201,432 -0.448,433 0.885,434 0.15,435 1.779,436 0.013,437 -1,438 -1.422,440 -2,441 -1,442 0.469,443 -0.639,444 1.664,446 -1,447 -1.629,449 -2.588,450 -1.008,451 0.146,452 -0.872,453 1.358,454 -0.308,455 -1.236,456 -1.825,458 -3.384,459 -1.137,460 -0.024,461 -1.113,462 1.132,463 -0.511,464 -1.37,465 -1.878,467 -3.487,468 -1.144,469 9.248,470 0.487,471 0.544,472 0.029,473 27.75,474 1.461,475 15.5,476 0.816,477 12.25,478 0.645,479 11.068,480 0.583,481 20.152,482 0.746,483 18.034,484 0.949,485 5.496,486 0.289,487 3.546,488 0.187,489 0.185,491 0.314,496 0.521,497 0.983,498 0.585,499 0.649,500 0.533,501 0.676,502 0.435,503 1.177,504 0.785,505 1.034,506 0.412,507 1.019,508 1.028,509 1.277,510 1.128,511 1.233,512 0.857,513 1.201,514 0.995,515 1.056,516 0.824,517 0.965,518 0.952,519 0.973,520 1.553,521 0.925,522 1.137,523 0.873,524 1.592,525 0.949,526 0.821,527 0.705,528 0.797,529 0.882,530 1.038,531 0.88,532 0.544,533 0.677,534 0.959,535 0.801,536 0.532,537 1.043,538 0.779,539 1.012,540 1.2,541 1.176,542 0.734,543 1.106,544 5,545 0.07,546 1.556,547 1.472,548 0.832,549 0.5,550 0.264,551 0.148,552 0.146,553 0.095,554 3311,555 15604,556 1.965,557 29.6,559 5,560 1,562 2,567 1.598,568 1.81,569 3.158,570 0.548,574 1,575 56.818,576 2.104,577 3.454,578 4.103,579 4.607,580 4.681,581 4.681,582 2.55,583 4.143,584 4.222,585 3.307,586 565.513,587 7.163,588 5751.87,589 1,590 1,592 1,593 128.382,594 1.509,595 4.159,596 0.25,597 0.012,598 0.058,599 0.064,600 0.04,601 0.029,602 0.016,603 0.01,604 0.012,605 0.009,606 0.5,607 0.67,608 1,609 0.92,610 83.964,611 0.082,612 0.149,613 0.002,614 0.164,615 -0.038,616 0.076,617 0.258,618 -0.114,619 -0.035,620 -0.111,621 0.228,622 -0.184,623 -0.202,624 -0.275,625 -0.157,626 -0.288,627 -0.126,628 -0.241,629 -0.05,630 -0.166,631 0.097,632 -0.068,633 -0.015,634 0.091,635 -0.369,636 0.052,637 -0.203,638 0.013,639 -0.357,640 -0.048,641 0.168,642 0.213,643 0.12,644 0.06,645 -0.016,646 0.142,647 0.418,648 0.275,649 -0.091,650 0.133,651 0.462,652 -0.117,653 -0.025,654 -0.097,656 0.041,657 -0.025,658 0.09,659 2.509,660 4.642,661 0.579,662 13.452,663 1.05,664 1.12,665 2.365,666 5.593,667 0.747,668 3.045,669 3.332,670 3.466,671 3.664,672 3.689,673 3.664,674 3.526,675 3.526,676 3.466,677 3.526,678 5.445,679 0.733,680 297.74,681 3.045,682 4.554,683 5.352,684 6.201,685 7.015,686 7.864,687 8.684,688 9.534,689 10.356,690 11.205,691 11.1,698 2,702 1,709 6,713 1,714 4,716 11,731 1,737 1,738 27,739 14,740 1,741 20,743 28,744 11,745 10,746 2,747 4,752 2,753 2,754 1,757 1,768 11,772 3,775 1,778 3,782 1,786 1,789 8,790 5,791 2,792 8,793 2,797 3,803 1,804 3,822 1,823 1,855 2,857 1,860 1,862 19,871 2,880 1,885 1,886 11.1,889 1,892 2,893 10.5,894 4.76,895 4.194,896 1.347,898 2.097,899 1.347,900 0.963,901 4.472,902 8.147,903 3.384,904 3.966,905 4.384,906 4.899,907 5.179,908 5.273,909 5.18,910 5.343,911 5.364,912 5.799,913 0.833,914 23,915 6.944,917 2.933,918 8.357,919 12.453,921 9.645,924 2.857,925 54.278,929 70.627,930 100.527,931 41.692,932 39.149,933 75.892,935 31.278,936 69.25,937 185.667,938 41.692,939 5.67,940 36.022,941 55.03,942 25.145,943 9.944,944 16.047,945 90.133,946 89.896,947 70.627,948 110.941,949 75.892,950 70.426,952 70.627,953 25.145,954 50.747,956 36.951,957 68.32,958 44.819,959 31.278,960 70.627,961 117.583,962 139.676,965 70.627,966 45.497,967 60.7,968 36.022,969 115.04,970 70.627,971 117.583,972 139.676,973 0.579,974 0.311,975 0.16,976 0.079,977 12,978 6,979 0.107,980 3,982 1,983 3.175,984 127.146,986 11,987 78.711,989 1,993 13.927,994 6.101,995 3.99,997 111.913,998 9.455,1002 0.946,1003 1.382,1005 36.022,1006 327.886,1007 28.5,1010 -0.509,1013 32.645,1017 -0.491,1020 28.338,1021 30.233,1022 0.443,1023 0.726,1024 0.863,1025 0.969,1026 0.984,1027 0.984,1028 4.582,1029 0.66,1030 5.333,1031 2.555,1032 4.007,1033 4.649,1034 2.833,1035 6.057,1036 3.859,1037 5.796,1038 -0.069,1039 6.843,1040 1.607,1041 3.611,1042 4.511,1043 2.558,1044 6.749,1045 3.375,1046 7.095,1047 -0.398,1048 8.441,1049 -0.192,1050 5.525,1051 6.804,1052 4.303,1053 9.752,1054 5.241,1055 8.423,1056 -0.482,1057 10.088,1058 -0.927,1059 5.861,1060 7.42,1061 4.603,1062 11.195,1063 5.471,1064 9.774,1065 -1,1066 11.763,1067 -1.201,1068 7.286,1069 9.209,1070 6.01,1071 13.696,1072 6.861,1073 11.142,1074 -1,1075 13.458,1076 -2,1077 7.962,1078 10.18,1079 6.597,1080 15.48,1081 7.427,1082 12.524,1083 -1.236,1084 15.167,1085 -2.588,1086 9.176,1087 11.756,1088 7.82,1089 17.775,1090 8.604,1091 2.872,1092 -1.37,1093 16.887,1094 -3.384,1095 10.025,1096 12.908,1097 8.565,1098 19.729,1099 9.343,1100 2.696,1101 8.607,1102 18.616,1103 -3.487,1104 11.14,1105 14.383,1106 9.68,1107 21.932,1108 10.415,1109 2.383,1110 7.72,1111 20.351,1112 4.018,1113 12.078,1114 15.633,1115 10.515,1116 23.975,1117 11.249,1118 2.055,1119 6.77,1120 22.093,1121 3.662,1122 13.148,1123 17.058,1124 11.567,1125 26.138,1126 12.266,1127 1.726,1128 5.624,1129 23.839,1130 3.184,1131 14.132,1132 18.362,1133 12.455,1134 28.226,1135 13.154,1136 1.189,1137 4.601,1138 25.589,1139 2.769,1140 15.183,1141 19.763,1142 13.469,1143 30.372,1144 14.143,1145 1.08,1146 2.658,1147 27.344,1148 2.371,1149 16.192,1150 21.098,1151 14.387,1152 32.485,1153 15.06,1154 3372,1155 7448,1156 12.83,1157 20.17,1158 29.901,1159 31.108,1160 30.495,1161 29.384,1162 29.323,1163 40.819,1164 9.031,1165 80.283,1166 27.018,1167 5.181,1168 5.783,1169 5.562,1170 4.903,1171 4.872,1172 7.018,1173 4.612,1174 14.562,1175 4.65,1176 10.631,1177 1.495,1178 1.555,1179 1.525,1180 1.469,1181 1.466,1182 2.041,1183 0.452,1184 4.014,1185 1.351,1186 3.977,1187 3.995,1188 4.269,1189 3.92,1190 7.815,1191 3.87,1192 3.893,1193 3.915,1194 3.996,1195 3.835,1196 7.431,1197 3.816,1198 3.515,1199 3.549,1200 3.528,1201 3.138,1202 6.999,1203 3.206,1204 3.282,1205 3.303,1206 3.43,1207 2.888,1208 4.945,1209 2.988,1210 2.88,1211 2.922,1212 3.223,1213 2.793,1214 4.628,1215 2.768,1216 2.815,1217 2.867,1218 2.786,1219 2.648,1220 4.364,1221 2.649,1222 2.394,1223 2.471,1224 2.593,1225 2.339,1226 3.913,1227 2.232,1228 2.295,1229 2.403,1230 2.23,1231 2.008,1232 3.59,1233 2.015,1234 0.216,1235 0.189,1236 0.3,1237 0.19,1238 0.144,1239 4.311,1240 0.201,1241 3.783,1242 0.131,1243 6.006,1244 0.43,1245 3.793,1246 0.132,1247 2.872,1248 4.018,1249 2.612,1250 8.607,1251 2.65,1252 1.881,1253 1.857,1254 1.972,1255 1.983,1256 1.059,1257 1.984,1258 1.589,1259 1.561,1260 1.676,1261 1.917,1262 0.743,1263 1.815,1264 1.452,1265 1.445,1266 1.395,1267 1.709,1268 0.568,1269 1.67,1270 1.132,1271 1.097,1272 1.247,1273 1.353,1274 0.277,1275 1.346,1276 0.868,1277 0.824,1278 1.081,1279 1.018,1280 0.154,1281 1.059,1282 0.752,1283 0.73,1284 0.953,1285 0.975,1287 1.017,1288 0.691,1289 0.671,1290 0.795,1291 0.947,1293 0.957,1294 0.101,1296 0.623,1297 0.572,1299 0.606,1300 3.714,1302 5.004,1303 2.398,1304 6.454,1305 4.595,1306 7.976,1307 6.581,1308 9.535,1311 5.782,1317 5.068,1326 19.804,1327 56.818,1328 93.263,1329 110.772,1330 124.382,1331 126.382,1332 126.382,1333 37.806,1334 6.05,1335 86.95,1336 115.19,1337 11,1338 11.769,1339 3.907,1340 3.248,1341 33.873,1342 62,1343 50,1344 0.27,1345 132.843,1346 226.95,1347 315.897,1348 2818,1349 3.7,1350 13.828,1351 0.728,1352 0.579,1353 14.682,1354 10.995,1355 9.042,1356 0.452,1357 0.318,1358 5.125,1359 7.843,1360 4.939,1361 4.095,1362 9.785,1363 6.367,1364 8.398,1365 0.311,1366 0.179,1367 9.357,1368 4.846,1369 6.041,1370 0.195,1371 0.104,1372 7.095,1373 3.221,1374 4.941,1375 0.13,1376 0.058,1377 5.896,1378 2.192,1379 3.293,1380 0.084,1381 0.029,1382 3.909,1383 1.124,1384 0.427,1385 65.26,1386 0.279,1387 19.329,1388 0.725,1389 94,1390 388.581,1391 145.023,1392 420.824,1393 536.38,1394 384,1395 105,1396 344.771,1397 147.334,1398 365.608,1399 521.45,1400 340,1401 4.5}
{0 CHEMBL1387152,1 1.526,2 9.815,3 2.728,4 7.444,5 105.029,6 7.397,7 0.4,8 3.992,9 4.115,10 3.566,11 3.535,12 5.09,13 3.515,14 4.545,15 4.732,16 3.954,17 3.947,18 5.563,19 3.918,20 4.776,21 4.955,22 4.055,23 4.099,24 5.903,25 4.048,26 4.895,27 5.111,28 3.988,29 4.073,30 6.111,31 3.995,32 4.831,33 5.079,34 3.885,35 4.035,36 5.799,37 3.947,38 4.754,39 4.972,40 3.889,41 3.999,42 5.858,43 3.928,44 4.687,45 4.893,46 3.823,47 3.926,48 5.848,49 3.858,50 4.638,51 4.855,52 3.649,53 3.838,54 5.752,55 3.742,56 0.026,57 0.745,58 9.905,59 4.346,60 6.591,61 5.805,62 0.252,63 1.226,64 19.455,65 6.772,66 20.518,67 9.6,68 0.226,69 1.466,70 24.643,71 9.109,72 33.55,73 12.379,74 0.572,75 1.522,76 30.234,77 10.235,78 100.909,79 14.175,80 0.264,81 1.458,82 28.523,83 9.731,84 41.689,85 14.043,86 0.266,87 1.345,88 25.733,89 9.18,90 47.091,91 12.591,92 0.253,93 1.24,94 23.954,95 8.687,96 48.73,97 11.65,98 0.322,99 1.175,100 23.096,101 8.105,102 50.481,103 11.08,104 27,105 44,106 0.257,107 0.555,108 0.693,109 0.799,110 0.808,111 0.808,112 3.341,113 0.895,114 -3.74,115 -3.71,116 -3.53,120 42.9,123 1,125 3,126 1,128 1,143 9,144 2,145 1,158 1,159 2,167 1,174 10,176 2,177 8,185 11,188 2,189 9,197 7,200 5,201 11,209 3,214 12,222 3,226 1,227 13,235 6,239 1,240 8,247 9,251 2,252 4,260 9,263 1,264 2,271 6,274 1099,275 18.052,276 18.052,277 18.052,278 18.052,279 18.052,280 16.246,281 21.811,282 10.377,283 18.306,284 14.754,285 14.754,286 14.754,287 14.754,288 14.754,289 11.893,290 29.277,291 4.904,292 15.119,293 4.089,294 2.325,295 1.506,296 0.878,297 0.822,298 0.822,299 4.032,305 1,306 1,307 1,308 572,309 3,312 118.098,313 161.673,315 97.158,320 1.525,321 26.355,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 265,334 4.618,335 4.179,336 7.229,337 4.434,338 3.455,339 3.965,340 2.107,341 12.752,342 3.38,343 4.154,344 3.439,345 6.259,346 3.801,347 2.828,348 3.615,349 1.882,350 9.211,351 2.754,352 3.928,353 3.264,354 5.963,355 3.606,356 2.639,357 3.446,358 0.832,359 8.231,360 2.565,361 3.865,362 2.972,363 5.909,364 3.546,365 2.577,366 3.172,367 0.8,368 8.11,369 2.479,370 3.499,371 2.8,372 5.388,373 3.239,374 2.261,375 2.624,376 0.671,377 6.798,378 2.204,379 3.298,380 2.398,381 5.356,382 2.952,383 1.941,384 2.451,385 0.329,386 6.163,387 1.948,388 2.927,389 1.917,390 4.719,391 2.544,392 1.552,393 2.078,394 0.032,395 4.441,396 1.535,397 2.665,398 1.721,399 4.33,400 2.306,401 1.349,402 1.632,404 3.556,405 1.287,406 2.5,407 1.616,408 3.728,409 2.276,410 1.288,411 1.5,413 2.984,414 1.267,415 2.5,416 1.472,417 3.593,418 2,419 1,420 1.5,422 2.55,423 1,424 2.482,425 1.278,426 3.414,427 2,428 1,429 1.455,431 2.275,432 1,433 2.334,434 1,435 3.247,436 1.904,437 0.937,438 1.239,440 2.136,441 0.901,442 1.711,443 1,444 2.934,445 1.213,446 0.149,447 0.2,449 0.328,450 0.155,451 1.188,452 0.573,453 2.894,454 0.92,455 -0.065,456 -0.077,458 -0.176,459 -0.064,460 0.923,461 0.024,462 2.657,463 0.572,464 -0.422,465 -0.523,467 -1.042,468 -0.416,469 12.767,470 0.473,471 0.789,472 0.029,473 34.75,474 1.287,475 17,476 0.63,477 17.75,478 0.657,479 21.8,480 0.807,481 28.633,482 0.584,483 27.984,484 1.036,485 7.153,486 0.265,487 5.816,488 0.215,489 0.17,491 0.407,496 0.613,497 1.377,498 0.756,499 1.124,500 0.528,501 0.986,502 0.832,503 0.996,504 0.813,505 0.789,506 0.588,507 0.775,508 1.058,509 1.243,510 1.04,511 1.18,512 1.074,513 1.115,514 1.119,515 1.083,516 1.047,517 1.038,518 1.289,519 1.042,520 0.919,521 0.958,522 0.89,523 0.887,524 0.746,525 0.874,526 1.151,527 0.956,528 0.971,529 0.966,530 1.124,531 0.944,532 1.302,533 1.034,534 1.03,535 1.048,536 1.397,537 1.014,538 1.248,539 1.011,540 1.18,541 1.088,542 1.37,543 1.123,544 5,545 0.082,546 3.333,547 2.674,548 1.848,549 1.296,550 0.867,551 0.51,552 0.368,553 0.223,554 8144,555 20280,556 2.075,557 44.9,559 21,563 1,567 1.707,568 1.906,569 3.255,570 -0.769,571 1,572 1,575 74.775,576 1.526,577 3.29,578 4.108,579 4.737,580 4.793,581 4.793,582 2.75,583 4.385,584 4.72,585 3.416,586 1198.88,587 8.23,588 14854.8,590 1,592 1,593 275.121,594 1.506,595 4.668,596 0.167,597 0.007,598 0.076,599 0.058,600 0.045,601 0.033,602 0.022,603 0.014,604 0.013,605 0.011,606 0.445,607 0.5,608 1,609 0.803,610 131.525,611 0.061,612 -0.193,613 0.075,614 -0.089,615 -0.03,616 -0.026,617 0.036,618 0.153,619 0.103,620 0.174,621 -0.008,622 0.159,623 -0.023,624 -0.163,625 -0.11,626 -0.198,627 -0.061,628 -0.171,629 0.146,630 -0.095,631 -0.047,632 -0.076,633 0.099,634 -0.094,635 -0.057,636 0.033,637 0.089,638 0.081,639 0.005,640 0.109,641 -0.084,642 0.044,643 0.003,644 0.016,645 -0.003,646 0.025,647 -0.107,648 -0.048,649 -0.052,650 -0.058,651 -0.048,652 -0.049,653 -0.095,654 -0.019,655 -0.198,656 -0.115,657 -0.127,658 -0.165,659 1.897,660 5.743,661 0.741,662 24.93,663 1,664 1.125,665 2.515,666 6.323,667 0.669,668 3.434,669 3.807,670 4.143,671 4.454,672 4.71,673 4.875,674 5.063,675 5.187,676 5.313,677 5.366,678 5.867,679 0.638,680 362.47,681 3.434,682 5.004,683 5.889,684 6.799,685 7.709,686 8.632,687 9.555,688 10.486,689 11.418,690 12.355,691 8.2,694 1,697 1,698 1,700 1,709 9,714 3,716 12,732 1,738 49,739 15,740 2,741 30,743 52,744 21,745 12,746 3,747 9,748 1,752 4,753 5,755 1,763 1,764 1,766 1,768 15,769 6,770 1,772 3,778 2,781 1,782 3,785 1,786 1,789 22,790 6,792 6,797 4,800 1,803 0.75,804 2,822 2,823 2,825 1,855 3,859 3,862 27,869 1,874 2,875 3,886 4.1,889 2,893 14.167,894 9.8,895 5.833,896 2.805,898 2.181,899 1.287,900 0.978,901 4.485,902 9.78,903 3.689,904 4.248,905 4.796,906 5.303,907 5.786,908 5.997,909 6.382,910 6.707,911 7.069,912 7.352,913 0.857,914 46,915 10.056,917 4.408,918 7.765,919 19.136,921 16.055,924 2.265,925 61.167,928 1,929 258.964,930 133.875,931 25.913,933 50.29,936 133.875,937 309.254,938 25.913,939 25.189,940 5.23,941 85.286,942 62.456,943 31.917,945 258.964,947 258.964,948 159.788,949 50.29,952 258.964,953 50.29,956 24.895,957 134.894,960 258.964,961 76.203,962 133.875,965 258.964,966 23.4,967 119.726,969 66.953,970 258.964,971 76.203,972 133.875,973 0.595,974 0.359,975 0.191,976 0.106,977 23,978 11,979 0.077,980 4,981 1,982 1.1,983 3.76,984 244.469,985 0.1,986 20,987 118.382,993 17.749,994 6.822,995 3.022,997 76.203,998 17.798,1003 3.002,1006 469.043,1007 39,1013 25.445,1016 4.716,1017 0.296,1020 49.014,1021 55.149,1022 0.272,1023 0.586,1024 0.732,1025 0.844,1026 0.854,1027 0.854,1028 4.963,1029 1.349,1030 5.905,1031 4.441,1032 4.489,1033 4.934,1034 2.887,1035 6.79,1036 4.443,1037 6.166,1038 1.288,1039 7.515,1040 3.556,1041 4.205,1042 4.677,1043 2.262,1044 7.84,1045 4.123,1046 7.477,1047 1,1048 9.227,1049 2.984,1050 6.151,1051 7.013,1052 3.839,1053 11.009,1054 6.056,1055 8.821,1056 1,1057 10.999,1058 2.55,1059 6.698,1060 7.531,1061 3.903,1062 12.931,1063 6.568,1064 10.199,1065 0.937,1066 12.809,1067 2.275,1068 8.148,1069 9.367,1070 5.071,1071 15.653,1072 8.003,1073 11.6,1074 0.149,1075 14.648,1076 2.136,1077 9.066,1078 10.242,1079 5.443,1080 17.945,1081 8.892,1082 13.021,1083 -0.065,1084 16.508,1085 0.328,1086 10.344,1087 11.858,1088 6.405,1089 20.534,1090 10.154,1091 3.455,1092 -0.422,1093 18.385,1094 -0.176,1095 11.43,1096 12.925,1097 6.936,1098 22.979,1099 11.216,1100 2.828,1101 12.752,1102 20.277,1103 -1.042,1104 12.657,1105 14.427,1106 7.79,1107 25.532,1108 12.424,1109 2.639,1110 9.211,1111 22.181,1112 3.965,1113 13.82,1114 15.604,1115 8.408,1116 28.038,1117 13.565,1118 2.577,1119 8.231,1120 24.096,1121 3.615,1122 15.038,1123 17.044,1124 9.205,1125 30.583,1126 14.763,1127 2.261,1128 8.11,1129 26.02,1130 3.446,1131 16.236,1132 18.289,1133 9.872,1134 33.112,1135 15.94,1136 1.941,1137 6.798,1138 27.952,1139 3.172,1140 17.457,1141 19.694,1142 10.639,1143 35.656,1144 17.141,1145 1.552,1146 6.163,1147 29.891,1148 2.624,1149 18.673,1150 20.982,1151 11.335,1152 38.195,1153 18.336,1154 7865,1155 12543,1156 19.709,1157 32.784,1158 47.164,1159 48.412,1160 47.872,1161 46.078,1162 45.953,1163 57.755,1164 13.305,1165 139.066,1166 44.949,1167 5.58,1168 6.179,1169 7.031,1170 5.489,1171 5.455,1172 6.965,1173 3.666,1174 20.508,1175 5.38,1176 14.774,1177 1.572,1178 1.614,1179 1.596,1180 1.536,1181 1.532,1182 1.925,1183 0.444,1184 4.636,1185 1.498,1186 4.06,1187 4.097,1188 4.017,1189 3.944,1190 7.445,1191 3.954,1192 3.893,1193 3.927,1194 3.824,1195 3.835,1196 7.408,1197 3.827,1198 3.834,1199 3.871,1200 3.775,1201 3.691,1202 4.844,1203 3.71,1204 3.471,1205 3.553,1206 3.364,1207 3.239,1208 4.737,1209 3.254,1210 3.344,1211 3.431,1212 3.209,1213 3.104,1214 4.541,1215 3.118,1216 3.107,1217 3.176,1218 2.992,1219 2.947,1220 4.159,1221 2.941,1222 2.957,1223 3.009,1224 2.854,1225 2.735,1226 4.007,1227 2.743,1228 2.874,1229 2.987,1230 2.687,1231 2.735,1232 3.747,1233 2.715,1234 0.154,1235 0.139,1236 0.241,1237 0.148,1238 0.115,1239 4.618,1240 0.132,1241 4.179,1242 0.07,1243 7.229,1244 0.425,1245 4.434,1246 0.113,1247 3.455,1248 3.965,1249 2.107,1250 12.752,1251 3.38,1252 1.925,1253 1.897,1254 2.039,1255 2.024,1256 1.195,1257 2.028,1258 1.909,1259 1.879,1260 2.026,1261 1.997,1262 1.155,1263 2.011,1264 1.55,1265 1.516,1266 1.744,1267 1.79,1268 1.009,1269 1.762,1270 1.507,1271 1.454,1272 1.694,1273 1.724,1274 0.802,1275 1.725,1276 1.401,1277 1.318,1278 1.651,1279 1.654,1280 0.743,1281 1.655,1282 1.242,1283 1.166,1284 1.479,1285 1.478,1286 0.652,1287 1.481,1288 0.953,1289 0.89,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.821,1296 1.188,1297 1.184,1298 0.314,1299 1.197,1300 4.111,1302 5.468,1303 3.045,1304 7.018,1305 5.587,1306 8.655,1307 7.825,1308 10.345,1310 5.512,1315 0.494,1320 -1.109,1321 5.012,1326 31.256,1327 74.775,1328 161.202,1329 201.307,1330 232.101,1331 234.856,1332 234.856,1333 52.894,1334 7.599,1335 56.22,1336 56.22,1337 22,1338 12.854,1339 4,1340 3.322,1341 39.958,1342 93,1343 100,1344 0.214,1345 191.459,1346 338.44,1347 458.92,1348 18337,1350 19.129,1351 0.708,1352 0.58,1353 19.129,1354 15.663,1355 12.969,1356 0.432,1357 0.298,1358 8.819,1359 12.478,1360 8.503,1361 7.084,1362 12.969,1363 8.954,1364 12.05,1365 0.274,1366 0.163,1367 12.05,1368 7.168,1369 10.657,1370 0.172,1371 0.084,1372 10.657,1373 5.215,1374 8.815,1375 0.104,1376 0.043,1377 8.815,1378 3.694,1379 7.144,1380 0.065,1381 0.023,1382 7.144,1383 2.533,1384 0.326,1385 81.319,1386 0.225,1387 25.463,1388 0.619,1389 148,1390 412.052,1391 161.06,1392 400.491,1393 548.94,1394 374,1395 180,1396 407.369,1397 195.836,1398 415.139,1399 609.21,1400 388,1401 4.394}
{0 CHEMBL1387362,1 1.574,2 10.769,3 3.247,4 10.541,5 102.668,6 8.757,7 0.393,8 3.958,9 4.056,10 3.663,11 3.518,12 5.039,13 3.486,14 4.529,15 4.692,16 4.067,17 3.926,18 5.571,19 3.867,20 4.771,21 4.948,22 4.181,23 4.119,24 5.799,25 4.036,26 4.892,27 5.072,28 4.126,29 4.106,30 5.985,31 4.014,32 4.892,33 5.111,34 4.059,35 4.033,36 5.968,37 3.913,38 4.782,39 5.03,40 3.981,41 3.922,42 5.759,43 3.803,44 4.678,45 4.885,46 3.972,47 3.849,48 5.845,49 3.747,50 4.583,51 4.791,52 3.931,53 3.821,54 5.535,55 3.669,56 0.031,57 0.624,58 8.105,59 4.793,60 6.457,61 5.845,62 0.398,63 1.04,64 20.096,65 8.161,66 34.644,67 10.09,68 0.302,69 1.301,70 32.264,71 11.007,72 37.422,73 13.468,74 0.52,75 1.372,76 33.69,77 11.928,78 73.445,79 14.123,80 0.705,81 1.36,82 37.298,83 12.034,84 78.949,85 15.161,86 0.349,87 1.245,88 35.598,89 11.011,90 46.937,91 14.306,92 0.689,93 1.111,94 35.909,95 9.399,96 87.24,97 11.405,98 0.343,99 1.017,100 27.617,101 9.326,102 39.474,103 11.804,104 31,105 39,106 0.269,107 0.582,108 0.766,109 0.815,110 0.843,111 0.843,112 3.304,113 1.011,114 -4.37,115 -4.31,116 -4.06,118 1,120 41.7,122 3,123 1,125 2,126 2,143 5,144 3,145 2,159 2,174 10,176 2,177 8,185 14,189 10,197 13,201 6,209 9,213 4,214 9,222 6,227 6,235 4,239 2,240 5,247 7,252 5,260 9,264 2,271 3,274 1004,275 17.533,276 17.533,277 17.533,278 17.533,279 17.533,280 15.96,281 20.882,282 10.107,283 18.111,284 13.636,285 13.636,286 13.636,287 13.636,288 13.636,289 11.053,290 24.335,291 4.581,292 14.365,293 4.011,294 2.181,295 1.107,296 0.823,297 0.656,298 0.656,299 3.983,306 1,307 1,308 590,309 3.536,313 220.968,317 118.418,320 1.574,321 29.112,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 56.25,333 280,334 4.592,335 3.8,336 6.715,337 4.152,338 3.165,339 4.524,340 2.443,341 10.93,342 3.124,343 4.024,344 3.746,345 6.089,346 3.844,347 2.867,348 3.416,349 2.015,350 8.779,351 2.796,352 3.909,353 3.262,354 5.941,355 3.619,356 2.639,357 3.141,358 0.86,359 8.276,360 2.573,361 3.788,362 2.888,363 5.726,364 3.399,365 2.469,366 3.004,367 0.625,368 7.676,369 2.285,370 3.383,371 2.444,372 4.98,373 2.884,374 2.006,375 2.708,376 0.286,377 5.719,378 1.778,379 3.225,380 2.422,381 4.704,382 2.798,383 1.818,384 2.546,385 0.111,386 4.98,387 1.636,388 2.895,389 1.965,390 4.337,391 2.607,392 1.614,393 1.888,395 4.098,396 1.585,397 2.451,398 1.867,399 4.022,400 2.19,401 1.229,402 1.424,404 3.211,405 1.164,406 2.303,407 1.461,408 3.644,409 1.984,410 1,411 1.195,413 2.275,414 0.983,415 2,416 1.384,417 3.414,418 1.888,419 0.893,420 1,422 2.233,423 0.871,424 1.891,425 1.077,426 3.127,427 1.579,428 0.683,429 0.787,431 1.265,432 0.601,433 1.467,434 1.024,435 2.701,436 1.129,437 0.212,438 0.24,440 0.287,441 0.19,442 1.267,443 0.618,444 2.498,445 0.906,446 -0.064,447 -0.079,449 -0.13,450 -0.06,451 1.118,452 0.318,453 2.394,454 0.648,455 -0.2,456 -0.253,458 -0.429,459 -0.124,460 0.769,461 0.159,462 2.352,463 0.48,464 -0.546,465 -0.617,467 -1.24,468 -0.549,469 13.067,470 0.503,471 0.644,472 0.025,473 29.75,474 1.144,475 13.5,476 0.519,477 16.25,478 0.625,479 25.427,480 0.978,481 28.333,482 0.59,483 21.314,484 0.82,485 5.741,486 0.221,487 6.788,488 0.261,489 0.23,491 0.337,496 0.697,497 1.319,498 0.508,499 0.985,500 0.525,501 0.966,502 0.894,503 0.89,504 0.574,505 0.713,506 0.582,507 0.8,508 0.948,509 1.05,510 0.88,511 0.993,512 0.94,513 1,514 1.415,515 1.119,516 0.715,517 0.972,518 1.632,519 1.089,520 0.985,521 0.985,522 0.659,523 0.867,524 1.227,525 0.976,526 0.815,527 1.025,528 0.641,529 0.846,530 0.845,531 0.852,532 1.131,533 0.852,534 0.976,535 0.919,536 1.111,537 0.969,538 0.806,539 1.16,540 0.751,541 1.116,542 0.727,543 1.212,544 5.5,545 0.136,546 3.778,547 1.688,548 1.68,549 1.132,550 0.669,551 0.319,552 0.225,553 0.228,554 7464,555 23389,556 2.014,557 45.8,559 15,563 3,564 4,567 1.692,568 1.857,569 3.352,570 -0.76,571 1,572 1,575 75.532,576 1.574,577 3.404,578 4.478,579 4.762,580 4.929,581 4.929,582 2.874,583 4.316,584 4.67,585 3.519,586 1143.83,587 8.098,588 14172.4,590 1,592 1,593 268.078,594 1.502,595 4.615,596 0.196,597 0.008,598 0.097,599 0.039,600 0.044,601 0.033,602 0.021,603 0.011,604 0.01,605 0.013,606 0.473,607 0.33,608 1,609 1.104,610 126.918,611 -0.012,612 -0.167,613 0.008,614 -0.069,615 0.001,616 -0.019,617 0.029,618 0.206,619 0.035,620 0.181,621 0.054,622 0.134,623 -0.1,624 0.009,625 -0.053,626 -0.04,627 -0.057,628 -0.036,629 -0.231,630 -0.127,631 -0.064,632 -0.078,633 -0.24,634 -0.162,635 0.064,636 -0.014,637 0.008,638 0.02,639 -0.043,640 -0.026,641 0.01,642 -0.054,643 0.07,644 0.055,645 0.048,646 0.129,647 0.014,648 0.168,649 -0.044,650 0.019,651 0.073,652 -0.032,653 -0.013,654 -0.189,655 0.034,656 -0.166,657 -0.028,658 -0.221,659 1.849,660 5.837,661 0.615,662 22.556,663 1.007,664 1.12,665 3.144,666 9.882,667 0.678,668 3.367,669 3.689,670 3.97,671 4.19,672 4.443,673 4.533,674 4.605,675 4.605,676 4.644,677 4.663,678 6.216,679 0.64,680 420.33,681 3.367,682 4.905,683 5.759,684 6.635,685 7.507,686 8.389,687 9.268,688 10.153,689 11.035,690 11.921,691 2.1,698 1,708 2,709 5,714 3,716 11,735 1,737 1,738 48,739 13,740 2,741 28,742 1,743 50,744 20,745 10,746 5,747 5,752 3,753 4,763 2,764 1,766 3,768 12,769 8,770 1,772 2,778 2,782 2,786 1,789 22,790 5,792 6,793 1,797 1,803 0.667,804 4,823 3,827 1,839 1,841 1,855 2,858 1,859 2,862 26,869 5,872 2,874 1,875 1,885 1,886 8.3,889 2,891 2,893 14,894 9.26,895 5.889,896 2.862,898 2.47,899 1.343,900 0.953,901 6.201,902 9.675,903 3.597,904 4.167,905 4.727,906 5.275,907 5.867,908 6.195,909 6.531,910 6.854,911 7.118,912 6.959,913 1,914 43,915 9.667,917 4.076,918 7.817,919 18.456,921 15.109,924 2.317,925 60.25,928 1,929 258.964,930 109.488,931 49.078,933 72.29,936 155.442,937 331.254,938 3.124,939 21.766,940 14.939,941 47.381,942 62.186,943 38.63,945 258.964,946 45.954,947 258.964,948 112.613,949 72.29,951 45.954,952 211.88,953 119.374,956 14.939,957 97.673,959 45.954,960 258.964,961 75.414,962 155.442,965 258.964,966 40.341,967 72.272,968 45.954,969 72.29,970 258.964,971 75.414,972 155.442,973 0.58,974 0.353,975 0.182,976 0.101,977 18,978 9,979 0.1,980 5,981 1,982 1.125,983 3.687,984 216.119,985 0.125,986 16,987 118.211,993 19.185,994 8.404,995 4.234,996 2.081,997 75.414,998 9.909,1003 2.618,1006 489.821,1007 35.5,1013 24.483,1017 -0.125,1020 48.36,1021 53.745,1022 0.282,1023 0.609,1024 0.802,1025 0.853,1026 0.882,1027 0.882,1028 4.842,1029 1.229,1030 5.753,1031 4.098,1032 4.369,1033 4.852,1034 3.002,1035 6.572,1036 4.286,1037 6.041,1038 1,1039 7.326,1040 3.211,1041 4.007,1042 4.771,1043 2.619,1044 7.516,1045 3.876,1046 7.354,1047 0.893,1048 8.997,1049 2.275,1050 5.979,1051 7.05,1052 4.249,1053 10.592,1054 5.849,1055 8.701,1056 0.683,1057 10.724,1058 2.233,1059 6.415,1060 7.79,1061 4.568,1062 12.338,1063 6.257,1064 10.08,1065 0.212,1066 12.487,1067 1.265,1068 7.865,1069 9.595,1070 5.773,1071 14.945,1072 7.706,1073 11.481,1074 -0.064,1075 14.274,1076 0.287,1077 8.663,1078 10.726,1079 6.378,1080 17.033,1081 8.487,1082 12.899,1083 -0.2,1084 16.078,1085 -0.13,1086 9.908,1087 12.353,1088 7.409,1089 19.482,1090 9.728,1091 3.165,1092 -0.546,1093 17.895,1094 -0.429,1095 10.877,1096 13.68,1097 8.15,1098 21.725,1099 10.684,1100 2.867,1101 10.93,1102 19.723,1103 -1.24,1104 12.041,1105 15.235,1106 9.102,1107 24.122,1108 11.843,1109 2.639,1110 8.779,1111 21.56,1112 4.524,1113 13.091,1114 16.658,1115 9.913,1116 26.439,1117 12.882,1118 2.469,1119 8.276,1120 23.404,1121 3.416,1122 14.227,1123 18.185,1124 10.829,1125 28.822,1126 14.01,1127 2.006,1128 7.676,1129 25.254,1130 3.141,1131 15.317,1132 19.654,1133 11.677,1134 31.174,1135 15.09,1136 1.818,1137 5.719,1138 27.109,1139 3.004,1140 16.445,1141 21.169,1142 12.578,1143 33.556,1144 16.209,1145 1.614,1146 4.98,1147 28.97,1148 2.708,1149 17.555,1150 22.66,1151 13.445,1152 35.926,1153 17.31,1154 7402,1155 13182,1156 18.205,1157 32.551,1158 41.433,1159 43.884,1160 44.109,1161 41.347,1162 41.191,1163 51.745,1164 12.679,1165 119.458,1166 39.172,1167 5.592,1168 5.8,1169 6.259,1170 5.187,1171 5.165,1172 7.524,1173 4.174,1174 18.146,1175 5.124,1176 14.78,1177 1.48,1178 1.567,1179 1.575,1180 1.477,1181 1.471,1182 1.848,1183 0.453,1184 4.266,1185 1.399,1186 4.104,1187 4.119,1188 6.88,1189 4.07,1190 7.433,1191 4.062,1192 3.886,1193 3.934,1194 4.033,1195 3.734,1196 7.426,1197 3.738,1198 3.582,1199 3.6,1200 3.787,1201 3.495,1202 4.93,1203 3.477,1204 3.469,1205 3.491,1206 3.475,1207 3.261,1208 4.6,1209 3.283,1210 3.299,1211 3.347,1212 3.339,1213 3.055,1214 4.507,1215 3.074,1216 3.183,1217 3.254,1218 3.157,1219 2.941,1220 4.223,1221 2.939,1222 3.111,1223 3.206,1224 2.985,1225 2.936,1226 4.136,1227 2.91,1228 3.036,1229 3.108,1230 2.866,1231 2.879,1232 3.868,1233 2.857,1234 0.164,1235 0.136,1236 0.24,1237 0.148,1238 0.113,1239 4.592,1240 0.162,1241 3.8,1242 0.087,1243 6.715,1244 0.39,1245 4.152,1246 0.112,1247 3.165,1248 4.524,1249 2.443,1250 10.93,1251 3.124,1252 2.078,1253 2.066,1254 2.137,1255 2.132,1256 1.409,1257 2.138,1258 1.843,1259 1.795,1260 2.033,1261 2.022,1262 1.331,1263 2.027,1264 1.536,1265 1.515,1266 1.67,1267 1.701,1268 0.867,1269 1.691,1270 1.374,1271 1.343,1272 1.606,1273 1.629,1274 0.825,1275 1.618,1276 1.237,1277 1.183,1278 1.566,1279 1.522,1280 0.656,1281 1.535,1282 1.16,1283 1.083,1284 1.513,1285 1.405,1286 0.595,1287 1.441,1288 1.153,1289 1.064,1290 1.488,1291 1.376,1292 0.55,1293 1.429,1294 1.021,1295 0.953,1296 1.292,1297 1.257,1298 0.525,1299 1.275,1300 4.043,1302 5.361,1304 6.889,1306 8.509,1308 10.177,1309 3.485,1310 3.029,1315 2.746,1318 10.298,1320 -0.103,1321 1.83,1326 30.701,1327 75.532,1328 163.372,1329 214.959,1330 228.568,1331 236.568,1332 236.568,1333 56.095,1334 7.206,1335 55.84,1336 55.84,1337 18,1338 12.454,1339 3.807,1340 3.087,1341 44.334,1342 96,1343 108,1344 0.227,1345 194.638,1346 342.64,1347 466.678,1348 12508,1349 2.1,1350 18.681,1351 0.719,1352 0.636,1353 19.681,1354 16.544,1355 12.528,1356 0.447,1357 0.337,1358 8.548,1359 11.413,1360 8.248,1361 6.805,1362 13.106,1363 9.432,1364 11.025,1365 0.283,1366 0.189,1367 11.842,1368 7.383,1369 9.605,1370 0.185,1371 0.105,1372 10.13,1373 5.474,1374 7.522,1375 0.116,1376 0.06,1377 7.991,1378 3.892,1379 6.105,1380 0.073,1381 0.033,1382 6.59,1383 2.793,1384 0.354,1385 87.502,1386 0.234,1387 24.989,1388 0.629,1389 134,1390 427.242,1391 212.581,1392 435.297,1393 569.03,1394 406,1395 158,1396 370.914,1397 198.563,1398 388.198,1399 564.25,1400 362,1401 4.166}
{0 CHEMBL1387688,1 1.462,2 6.235,3 3.76,4 14.135,5 69.954,6 7.194,7 0.333,8 3.612,9 3.737,10 3.148,11 3.195,12 4.561,13 3.128,14 4.201,15 4.389,16 3.439,17 3.586,18 5.097,19 3.475,20 4.522,21 4.778,22 3.576,23 3.699,24 5.422,25 3.574,26 4.491,27 4.743,28 3.537,29 3.712,30 5.364,31 3.579,32 4.513,33 4.727,34 3.659,35 3.774,36 5.563,37 3.635,38 4.557,39 4.8,40 3.452,41 3.715,42 5.525,43 3.497,44 4.295,45 4.603,46 2.743,47 3.29,48 5.06,49 2.978,50 3.594,51 3.965,52 1.363,53 2.413,54 4.1,55 2.021,56 0.018,57 0.466,58 7.728,59 3.499,60 3.607,61 4.828,62 0.135,63 0.776,64 16.53,65 6.091,66 12.81,67 8.529,68 0.325,69 0.997,70 23.607,71 7.491,72 37.13,73 10.831,74 0.161,75 0.953,76 21.811,77 7.871,78 22.58,79 11.047,80 0.217,81 0.912,82 24.377,83 8.501,84 38.934,85 11.224,86 0.271,87 0.858,88 30.627,89 9.405,90 45.848,91 12.291,92 0.222,93 0.619,94 25.02,95 7.238,96 33.394,97 9.745,98 0.101,99 0.295,100 12.105,101 3.483,102 13.483,103 4.897,104 7,105 23,106 0.275,107 0.519,108 0.64,109 0.748,110 0.792,111 0.792,112 2.909,113 1.132,114 -4.45,115 -4.38,116 -4.13,120 40,122 5,126 1,128 1,143 5,145 1,159 1,174 8,176 1,177 4,185 8,189 6,197 4,201 6,209 4,214 4,222 12,227 2,235 12,247 6,260 1,274 350,275 11.751,276 11.751,277 11.751,278 11.751,279 11.751,280 10.894,281 11.722,282 7.267,283 11.89,284 8.832,285 8.832,286 8.832,287 8.832,288 8.832,289 7.542,290 16.23,291 3.36,292 9.102,293 3.667,294 2.37,295 1.724,296 1.15,297 0.914,298 0.914,299 3.563,300 1,306 1,307 1,308 218,309 2.828,313 114.374,320 0.865,321 13.238,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 35.833,333 106,334 4.279,335 3.813,336 6.746,337 4.062,338 3.113,339 3.652,340 2.115,341 10.97,342 2.949,343 3.611,344 2.889,345 5.247,346 3.269,347 2.278,348 2.935,349 0.707,350 6.4,351 2.256,352 3.304,353 2.323,354 4.997,355 3.094,356 2.096,357 2.338,358 0.176,359 5.52,360 2.068,361 2.873,362 1.903,363 3.844,364 2.503,365 1.519,366 2,368 3.253,369 1.482,370 2.5,371 1.678,372 3.555,373 2.31,374 1.317,375 1.5,377 2.88,378 1.306,379 2.441,380 1.352,381 3.247,382 2,383 1,384 1.433,386 2.136,387 1,388 2,389 1,390 3.247,391 2,392 1,393 1,395 2.136,396 1,397 1.592,398 1,399 3.175,400 1.349,401 0.511,402 0.543,404 1.035,405 0.37,406 1.399,407 0.675,408 2.307,409 0.839,415 0.617,416 -0.149,417 2.198,418 0.277,419 -0.705,420 -0.787,422 -1.547,423 -0.69,424 0.5,425 -0.613,426 1.555,427 0.01,428 -1,429 -1,431 -2.261,432 -1,433 0.194,434 -0.894,435 1.555,437 -1,438 -1.267,440 -2.347,441 -1,443 -1,444 1.426,446 -1,447 -1.5,449 -2.347,450 -1.003,451 -0.173,452 -1,453 1.047,454 -0.505,455 -1.389,456 -1.715,458 -3.006,459 -1.265,460 -0.5,461 -1.476,462 1,463 -0.952,464 -1.85,465 -1.945,467 -4.789,468 -1.702,469 8.448,470 0.497,471 0.26,472 0.015,473 18.25,474 1.074,475 8,476 0.471,477 10.25,478 0.603,479 14.775,480 0.869,481 19.152,482 0.547,483 10.338,484 0.608,485 3.116,486 0.183,487 5.21,488 0.306,489 0.124,491 0.225,496 0.569,497 1.374,498 0.672,499 1.066,500 0.487,501 1.04,502 0.695,503 1.35,504 0.964,505 1.186,506 0.584,507 1.156,508 0.794,509 0.965,510 0.649,511 0.852,512 0.73,513 0.87,514 0.847,515 0.973,516 0.648,517 0.854,518 0.809,519 0.876,520 1.433,521 1.01,522 0.99,523 0.984,524 1.7,525 1.024,526 1.483,527 1.015,528 1.492,529 1.186,530 1.589,531 1.176,532 1.144,533 0.843,534 1.48,535 1.096,536 1.052,537 1.072,538 0.607,539 0.625,540 1.158,541 0.896,542 0.398,543 0.841,544 2,546 1.556,547 1.375,548 0.702,549 0.25,550 0.279,551 0.104,554 2050,555 5200,556 2.028,557 51.4,558 6,559 8,564 4,567 1.579,568 1.925,569 2.676,570 -0.807,572 1,574 1,575 51.163,576 1.462,577 2.76,578 3.405,579 3.979,580 4.215,581 4.215,582 2.095,583 2.911,584 4.06,585 2.759,586 375.167,587 6.91,588 3441.27,589 1,590 1,592 1,593 179.525,594 1.261,595 4.03,596 0.111,598 0.068,599 0.057,600 0.029,601 0.01,602 0.017,603 0.017,606 0.311,607 0.83,608 1,609 1.085,610 68.864,611 0.01,612 -0.148,613 0.021,614 -0.04,615 0.014,616 -0.008,617 0.071,618 -0.225,619 -0.116,620 -0.201,621 0.015,622 -0.166,623 0.139,624 0.089,625 0.096,626 0.041,627 0.119,628 0.056,629 -0.003,630 0.053,631 0.09,632 0.069,633 0.051,634 0.077,635 -0.14,636 -0.024,637 -0.025,638 0.001,639 -0.119,640 -0.057,641 -0.184,642 -0.135,643 -0.193,644 -0.149,645 -0.18,646 -0.187,647 -0.122,648 -0.042,649 -0.159,650 -0.083,651 -0.127,652 -0.087,653 0.03,654 0.115,655 -0.008,656 0.062,657 0.018,658 0.133,659 1.648,660 5.006,661 0.706,662 9.612,663 0.992,664 1.125,665 3.22,666 10.369,667 0.662,668 2.944,669 3.178,670 3.434,671 3.664,672 3.807,673 3.611,674 3.611,675 3.497,676 3.045,677 2.565,678 4.062,679 0.609,680 251.78,681 2.944,682 4.419,683 5.242,684 6.089,685 6.936,686 7.796,687 8.65,688 9.514,689 10.371,690 11.236,691 2.9,698 1,709 5,714 1,716 6,738 35,739 7,740 1,741 18,743 36,744 14,745 6,746 1,747 5,750 1,752 2,753 2,754 1,759 1,763 6,766 6,768 7,769 7,772 1,778 1,782 1,786 1,789 18,790 2,792 3,793 1,797 1,803 1,804 1,823 2,839 1,855 2,860 1,862 17,869 6,874 1,875 1,885 1,886 2.9,889 1,893 8.833,894 6.01,895 4,896 2.349,898 1.077,899 1.187,900 0.937,901 4.577,902 6.842,903 3.135,904 3.541,905 3.966,906 4.408,907 4.801,908 4.641,909 4.862,910 4.969,911 4.514,912 4.176,913 1,914 24,915 6.326,917 2.604,918 7.663,919 12.428,921 10.212,924 2.163,925 36.778,926 0.004,929 211.88,930 70.365,931 3.124,932 39.149,933 25.145,936 70.365,937 276.173,938 3.124,940 18.647,941 47.381,942 29.85,943 2.757,945 251.028,947 211.88,948 73.489,949 25.145,950 39.149,952 164.795,953 72.229,956 18.647,957 54.843,958 39.149,960 211.88,961 28.269,962 109.514,965 211.88,966 22.984,967 50.506,969 64.294,970 211.88,971 28.269,972 109.514,973 0.552,974 0.333,975 0.193,976 0.107,977 10,978 4,979 0.056,980 2,982 1,983 2.894,984 114.055,986 12,987 61.487,993 12.596,994 6.178,995 3.08,997 28.269,998 9.866,1003 0.977,1006 349.663,1007 22,1013 12.006,1017 0.018,1020 34.705,1021 39.389,1022 0.285,1023 0.538,1024 0.664,1025 0.776,1026 0.822,1027 0.822,1028 4.324,1029 0.511,1030 5.176,1031 2.136,1032 3.85,1033 4.22,1034 2.283,1035 5.948,1036 3.789,1037 5.435,1039 6.703,1040 1.035,1041 3.219,1042 3.651,1043 1.668,1044 6.868,1045 3.12,1046 6.68,1047 -0.705,1048 8.349,1050 5.371,1051 6.134,1052 3.394,1053 10.016,1054 5.229,1055 7.961,1056 -1,1057 10.071,1058 -1.547,1059 5.673,1060 6.406,1061 3.395,1062 11.88,1063 5.443,1064 9.284,1065 -1,1066 11.846,1067 -2.261,1068 7.229,1069 8.357,1070 4.725,1071 14.527,1072 6.982,1073 10.632,1074 -1,1075 13.658,1076 -2.347,1077 7.982,1078 9.031,1079 5.033,1080 16.732,1081 7.632,1082 12.003,1083 -1.389,1084 15.495,1085 -2.347,1086 9.286,1087 10.737,1088 6.135,1089 19.215,1090 8.916,1091 3.113,1092 -1.85,1093 17.35,1094 -3.006,1095 10.251,1096 11.631,1097 6.614,1098 21.543,1099 9.787,1100 2.278,1101 10.97,1102 19.218,1103 -4.789,1104 11.451,1105 13.198,1106 7.579,1107 23.97,1108 10.955,1109 2.096,1110 6.4,1111 21.097,1112 3.652,1113 12.513,1114 14.227,1115 8.161,1116 26.342,1117 11.935,1118 1.519,1119 5.52,1120 22.982,1121 2.935,1122 13.672,1123 15.707,1124 9.043,1125 28.748,1126 13.052,1127 1.317,1128 3.253,1129 24.874,1130 2.338,1131 14.776,1132 16.822,1133 9.688,1134 31.135,1135 14.085,1136 1,1137 2.88,1138 26.769,1139 2,1140 15.919,1141 18.243,1142 10.52,1143 33.534,1144 15.181,1145 1,1146 2.136,1147 28.668,1148 1.5,1149 17.041,1150 19.417,1151 11.204,1152 35.926,1153 16.239,1154 2120,1155 3455,1156 12.019,1157 23.171,1158 25.995,1159 27.426,1160 27.228,1161 25.794,1162 25.668,1163 30.802,1164 5.995,1165 68.659,1166 24.862,1167 5.279,1168 5.813,1169 6.548,1170 5.062,1171 5.113,1172 6.652,1173 3.784,1174 17.704,1175 4.949,1176 6.588,1177 1.444,1178 1.524,1179 1.513,1180 1.433,1181 1.426,1182 1.711,1183 0.333,1184 3.814,1185 1.381,1186 3.97,1187 4.014,1188 3.93,1189 3.869,1190 7.427,1191 3.868,1192 3.797,1193 3.846,1194 3.737,1195 3.707,1196 4.762,1197 3.691,1198 3.516,1199 3.546,1200 3.659,1201 3.337,1202 4.654,1203 3.343,1204 3.112,1205 3.206,1206 3.15,1207 2.951,1208 4.259,1209 2.93,1210 3.111,1211 3.189,1212 2.866,1213 2.941,1214 3.776,1215 2.91,1216 2.854,1217 2.925,1218 2.756,1219 2.735,1220 3.674,1221 2.715,1222 2.808,1223 2.879,1224 2.687,1225 2.68,1226 3.474,1227 2.662,1228 2.489,1229 2.522,1230 2.608,1231 2.18,1232 3.38,1233 2.198,1234 0.238,1235 0.212,1236 0.375,1237 0.226,1238 0.173,1239 4.279,1240 0.203,1241 3.813,1242 0.117,1243 6.746,1244 0.609,1245 4.062,1246 0.164,1247 3.113,1248 3.652,1249 2.115,1250 10.97,1251 2.949,1252 1.932,1253 1.893,1254 2.104,1255 2.066,1256 1.485,1257 2.079,1258 1.819,1259 1.772,1260 1.992,1261 1.932,1262 1.08,1263 1.957,1264 1.428,1265 1.395,1266 1.583,1267 1.645,1268 0.833,1269 1.64,1270 1.153,1271 1.064,1272 1.513,1273 1.376,1274 0.825,1275 1.429,1276 1.114,1277 1.04,1278 1.417,1279 1.328,1280 0.695,1281 1.371,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.82,1289 0.757,1290 1.084,1291 1.008,1292 0.203,1293 1.042,1294 0.336,1295 0.282,1296 0.785,1297 0.705,1299 0.702,1300 3.611,1302 4.86,1304 6.337,1306 7.912,1308 9.537,1311 5.725,1315 5.96,1320 0.331,1321 1.895,1326 21.305,1327 51.163,1328 96.59,1329 119.186,1330 139.26,1331 147.525,1332 147.525,1333 28.094,1334 5.765,1335 20.31,1336 20.31,1337 12,1338 11.784,1339 3,1340 2.322,1341 28.045,1342 38,1343 38,1344 0.354,1345 137.69,1346 239.58,1347 327.724,1348 1686,1349 2.9,1350 12.088,1351 0.711,1352 0.629,1353 12.588,1354 10.696,1355 8.326,1356 0.463,1357 0.377,1358 6.262,1359 7.854,1360 6.082,1361 5.045,1362 8.679,1363 6.792,1364 6.759,1365 0.294,1366 0.208,1367 6.963,1368 4.792,1369 5.689,1370 0.19,1371 0.12,1372 6.011,1373 3.586,1374 4.624,1375 0.122,1376 0.071,1377 4.761,1378 2.679,1379 3.689,1380 0.084,1381 0.046,1382 3.881,1383 2.007,1384 0.518,1385 54.921,1386 0.288,1387 16.792,1388 1.092,1389 82,1390 213.584,1391 98.911,1392 234.532,1393 304.97,1394 220,1395 94,1396 192.941,1397 108.104,1398 200.605,1399 293.22,1400 189,1401 5.302}
{0 CHEMBL1387728,1 1.943,2 8,3 4.83,4 23.324,5 90.42,6 11.039,7 0.478,8 3.576,9 3.639,10 3.514,11 3.284,12 4.896,13 3.24,14 4.005,15 4.091,16 3.867,17 3.607,18 5.28,19 3.55,20 4.171,21 4.275,22 3.994,23 3.679,24 5.589,25 3.607,26 4.183,27 4.294,28 4.044,29 3.664,30 5.74,31 3.597,32 4.176,33 4.292,34 4.143,35 3.714,36 5.626,37 3.611,38 4.177,39 4.294,40 4.008,41 3.689,42 5.624,43 3.586,44 4.181,45 4.326,46 3.755,47 3.525,48 5.649,49 3.431,50 3.982,51 4.158,52 3.502,53 3.224,54 5.41,55 3.124,56 0.107,57 0.393,58 1.672,59 2.34,60 9.279,61 2.352,62 0.213,63 0.617,64 9.285,65 4.754,66 20.46,67 4.471,68 0.431,69 0.696,70 12.798,71 5.415,72 40.205,73 5.019,74 0.452,75 0.754,76 14.187,77 5.39,78 59.129,79 4.712,80 0.438,81 0.73,82 18.859,83 6.076,84 56.272,85 5.45,86 0.349,87 0.759,88 12.285,89 5.715,90 54.769,91 4.639,92 0.505,93 0.686,94 18.141,95 6.147,96 67.407,97 5.457,98 0.469,99 0.516,100 15.594,101 5.066,102 55.352,103 5.527,104 30,105 31,106 0.359,107 0.717,108 0.807,109 0.885,110 0.897,111 0.897,112 3.147,113 1.048,114 -3.37,115 -3.35,116 -3.21,120 46.9,125 1,137 1,140 1,143 5,145 3,152 1,153 1,158 1,159 1,174 2,177 4,182 3,185 5,188 1,189 2,194 2,197 5,200 1,201 3,204 2,206 2,209 3,213 1,214 2,217 1,219 1,222 6,227 3,232 1,235 5,240 5,247 1,252 6,260 3,264 2,271 4,274 662,275 14.723,276 14.723,277 14.723,278 14.723,279 14.723,280 12.843,281 11.061,282 8.629,283 15.292,284 11.171,285 11.171,286 11.171,287 11.171,288 11.171,289 8.252,290 10.846,291 3.873,292 12.039,293 3.057,294 1.121,295 0.636,296 0.211,297 0.149,298 0.149,299 3.8,303 2,306 1,307 1,308 360,309 3.742,312 70.955,313 83.472,320 1.182,321 28.847,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.667,333 176,334 4.479,335 4.439,336 6.612,337 4.071,338 3.085,339 4.005,340 3.147,341 10.44,342 3.063,343 4.224,344 4.029,345 6.089,346 3.781,347 2.846,348 3.857,349 2.035,350 8.833,351 2.611,352 3.91,353 3.495,354 5.691,355 3.409,356 2.46,357 3.395,358 0.375,359 7.505,360 2.326,361 3.45,362 3.218,363 4.92,364 2.944,365 2.087,366 2.753,368 5.67,369 1.739,370 3.286,371 2.768,372 4.64,373 2.69,374 1.756,375 2.263,377 4.62,378 1.562,379 3.106,380 2.59,381 4.155,382 2.374,383 1.418,384 1.973,386 3.63,387 1.312,388 2.821,389 2.2,390 3.693,391 2.112,392 1.178,393 1.661,395 2.581,396 1.081,397 2.3,398 1.824,399 3.047,400 1.642,401 0.618,402 1.017,404 1.372,405 0.627,406 2.118,407 1.618,408 3,409 1.618,410 0.618,411 0.927,413 1.251,414 0.618,415 1.795,416 1.033,417 2.93,418 1.23,419 0.427,420 0.476,422 0.78,423 0.325,424 1.574,425 0.879,426 2.445,427 0.976,428 0.151,429 0.196,431 0.247,432 0.104,433 1.173,434 0.618,435 2.368,436 0.672,437 -0.203,438 -0.308,440 -0.386,441 -0.167,442 0.717,443 0.455,444 2.2,445 0.266,446 -0.635,447 -0.82,449 -1.399,450 -0.467,451 0.299,452 -0.105,453 2.052,454 -0.153,455 -1,456 -1.186,458 -2.397,459 -0.651,460 0.209,461 -0.487,462 1.419,463 -0.22,464 -1.168,465 -1.442,467 -2.806,468 -1.025,469 11.229,470 0.51,471 0.524,472 0.024,473 30,474 1.364,475 16.5,476 0.75,477 13.5,478 0.614,479 17.257,480 0.784,481 22.371,482 0.699,483 20.57,484 0.935,485 5.644,486 0.257,487 4.918,488 0.224,489 0.237,491 0.312,496 0.712,497 0.985,498 0.556,499 0.723,500 0.537,501 0.709,502 0.864,503 1.217,504 0.862,505 1.097,506 0.6,507 0.872,508 1.047,509 1.136,510 1.077,511 1.011,512 0.863,513 0.969,514 1.064,515 0.958,516 1.105,517 1.042,518 1.118,519 0.93,520 0.841,521 0.952,522 0.745,523 0.907,524 1.206,525 0.874,526 1.152,527 1.206,528 0.9,529 0.998,530 1.582,531 1.03,532 1.269,533 0.986,534 1.28,535 1.166,536 1.253,537 1.187,538 0.922,539 0.904,540 1.021,541 1.049,542 0.906,543 1.186,544 4.5,545 0.025,546 2.889,547 1.715,548 1.413,549 0.618,550 0.554,551 0.325,552 0.144,553 0.076,554 4268,555 18518,556 1.944,557 31.3,559 8,560 1,562 1,567 1.651,568 1.784,569 3.035,570 -0.22,575 62.177,576 1.943,577 3.879,578 4.364,579 4.789,580 4.851,581 4.851,582 2.461,583 3.88,584 4.435,585 3.171,586 732.409,587 7.648,588 8084.38,590 1,593 160,594 1.529,595 4.365,596 0.196,597 0.006,598 0.093,599 0.054,600 0.044,601 0.02,602 0.019,603 0.014,604 0.009,605 0.008,606 0.463,607 0.33,608 1,609 1.003,610 100.05,611 -0.072,612 -0.006,613 0.002,614 0.036,615 -0.029,616 0.025,617 -0.075,618 -0.237,619 -0.064,620 -0.144,621 -0.009,622 -0.011,623 -0.038,624 -0.145,625 -0.126,626 -0.078,627 0.02,628 -0.091,629 -0.014,630 0.121,631 -0.108,632 -0.066,633 0.076,634 -0.06,635 0.098,636 0.067,637 0.208,638 0.131,639 -0.082,640 0.066,641 -0.236,642 -0.14,643 -0.027,644 0.004,645 -0.309,646 -0.138,647 -0.155,648 -0.028,649 -0.228,650 -0.189,651 -0.077,652 -0.192,653 0.188,654 -0.063,655 0.031,656 -0.129,657 0.135,658 -0.078,659 2.164,660 5.293,661 0.5,662 15.182,663 1.031,664 1.103,665 2.141,666 4.586,667 0.784,668 3.178,669 3.466,670 3.714,671 3.892,672 3.951,673 3.892,674 3.807,675 3.761,676 3.638,677 3.497,678 5.15,679 0.748,680 353.24,681 3.178,682 4.691,683 5.525,684 6.385,685 7.238,686 8.1,687 8.958,688 9.821,689 10.68,690 11.544,691 6.3,696 1,700 1,709 6,712 1,714 4,716 11,721 1,729 1,737 2,738 32,739 14,740 1,741 23,743 33,744 15,745 10,746 3,747 3,748 3,752 2,753 2,754 2,767 1,768 13,769 1,772 2,778 1,782 3,788 1,789 10,790 4,791 1,792 7,793 3,797 2,803 1,804 2,822 1,823 1,833 1,846 1,855 2,856 1,857 1,859 1,860 2,862 22,871 1,873 1,877 1,882 1,884 1,885 2,886 6.3,889 1,891 1,893 12.333,894 6.236,895 5.111,896 1.656,898 2.299,899 1.372,900 0.955,901 5.838,902 8.481,903 3.512,904 4.056,905 4.621,906 5.109,907 5.369,908 5.517,909 5.669,910 5.963,911 6.077,912 6.338,913 1,914 32,915 8.059,917 3.355,918 8.101,919 14.683,921 11.31,924 2.601,925 57.222,929 105.94,930 139.78,931 49.07,932 78.297,933 34.652,935 32.22,936 107.561,937 218.889,938 49.07,939 7.19,941 59.121,942 64.891,943 54.632,944 17.22,945 126.388,946 78.297,947 105.94,948 156.631,949 34.652,950 110.517,952 105.94,953 34.652,956 31.059,957 107.561,958 96.308,959 32.22,960 105.94,961 83.722,962 218.077,965 105.94,966 56.867,967 66.311,968 34.612,969 144.009,970 105.94,971 83.722,972 218.077,973 0.57,974 0.351,975 0.187,976 0.092,977 13,978 7,979 0.152,980 5,982 1,983 3.277,984 163.986,986 11,987 98.107,989 1,993 16.819,994 7.637,995 4.02,997 83.722,998 9.363,1001 5.047,1003 1.53,1005 18.011,1006 407.74,1007 32.5,1013 12.293,1017 -0.186,1020 33,1021 35.299,1022 0.389,1023 0.776,1024 0.873,1025 0.958,1026 0.97,1027 0.97,1028 4.734,1029 0.618,1030 5.509,1031 2.581,1032 4.143,1033 4.741,1034 3.38,1035 6.308,1036 4.016,1037 5.959,1038 0.618,1039 7.072,1040 1.372,1041 3.761,1042 4.511,1044 7.231,1045 3.532,1046 7.271,1047 0.427,1048 8.737,1049 1.251,1050 5.727,1051 6.92,1052 5.444,1053 10.305,1054 5.528,1055 8.619,1056 0.151,1057 10.461,1058 0.78,1059 6.176,1060 7.524,1062 12.031,1063 5.918,1064 9.997,1065 -0.203,1066 12.221,1067 0.247,1068 7.598,1069 9.355,1070 7.642,1071 14.631,1072 7.356,1073 11.395,1074 -0.635,1075 14.007,1076 -0.386,1077 8.408,1078 10.337,1080 16.683,1081 8.135,1082 12.809,1083 -1,1084 15.81,1085 -1.399,1086 9.629,1087 11.927,1088 9.894,1089 19.118,1090 9.361,1091 3.085,1092 -1.168,1093 17.626,1094 -2.397,1095 10.599,1096 13.094,1098 21.316,1099 10.316,1100 2.846,1101 10.44,1102 19.452,1103 -2.806,1104 11.745,1105 14.573,1106 12.169,1107 23.687,1108 11.462,1109 2.46,1110 8.833,1111 21.286,1112 4.005,1113 12.787,1114 15.834,1116 25.955,1117 12.497,1118 2.087,1119 7.505,1120 23.127,1121 3.857,1122 13.905,1123 17.259,1124 14.455,1125 28.303,1126 13.615,1127 1.756,1128 5.67,1129 24.974,1130 3.395,1131 14.981,1132 18.57,1134 30.605,1135 14.689,1136 1.418,1137 4.62,1138 26.825,1139 2.753,1140 16.09,1141 19.969,1142 16.744,1143 32.945,1144 15.798,1145 1.178,1146 3.63,1147 28.68,1148 2.263,1149 17.184,1150 21.307,1152 35.265,1153 16.891,1154 4381,1155 9232,1156 14.622,1157 25.091,1158 35.037,1159 39.954,1160 35.639,1161 33.513,1162 33.287,1163 45.048,1164 11.113,1165 93.859,1166 30.734,1167 5.284,1168 6.439,1169 6.209,1170 5.094,1171 5.085,1172 7.005,1173 6.293,1174 17.608,1175 5.063,1176 12.636,1177 1.523,1178 1.737,1179 1.55,1180 1.457,1181 1.447,1182 1.959,1183 0.483,1184 4.081,1185 1.336,1186 3.964,1187 3.974,1188 4.106,1189 3.885,1190 7.428,1191 3.879,1192 3.884,1193 3.892,1194 3.954,1195 3.774,1196 6.818,1197 3.786,1198 3.605,1199 3.623,1200 3.789,1201 3.544,1202 5.052,1203 3.516,1204 3.184,1205 3.253,1206 3.63,1207 3.091,1208 5.015,1209 3.011,1210 3.007,1211 3.08,1212 3.337,1213 2.891,1214 4.67,1215 2.863,1216 2.915,1217 2.932,1218 2.951,1219 2.787,1220 4.293,1221 2.776,1222 2.898,1223 2.917,1224 2.896,1225 2.667,1226 3.92,1227 2.717,1228 2.544,1229 2.599,1230 2.791,1231 2.377,1232 3.782,1233 2.37,1234 0.195,1235 0.193,1236 0.287,1237 0.177,1238 0.134,1239 4.479,1240 0.174,1241 4.439,1242 0.137,1243 6.612,1244 0.454,1245 4.071,1246 0.133,1247 3.085,1248 4.005,1249 3.147,1250 10.44,1251 3.063,1252 1.883,1253 1.866,1254 1.929,1255 1.962,1256 1.066,1257 1.968,1258 1.68,1259 1.678,1260 1.715,1261 1.795,1262 0.829,1263 1.775,1264 1.448,1265 1.412,1266 1.597,1267 1.587,1268 0.694,1269 1.599,1270 1.266,1271 1.254,1272 1.501,1273 1.494,1274 0.524,1275 1.512,1276 1.116,1277 1.055,1278 1.295,1279 1.357,1280 0.275,1281 1.369,1282 0.935,1283 0.875,1284 1.135,1285 1.176,1286 0.153,1287 1.161,1288 0.846,1289 0.827,1290 0.933,1291 0.962,1292 0.013,1293 0.997,1294 0.567,1295 0.528,1296 0.666,1297 0.862,1299 0.793,1300 3.85,1302 5.142,1303 2.398,1304 6.627,1305 4.443,1306 8.201,1307 6.293,1308 9.82,1310 1.744,1311 12.017,1317 2.973,1319 1.219,1324 9.316,1325 1.906,1326 23.949,1327 62.177,1328 124.126,1329 139.635,1330 153.245,1331 155.245,1332 155.245,1333 51.04,1334 6.182,1335 66.03,1336 91.33,1337 11,1338 12.092,1339 3.907,1340 3.392,1341 41.918,1342 66,1343 58,1344 0.308,1345 162.9,1346 286.29,1347 389.236,1348 3026,1349 6.3,1350 16.113,1351 0.732,1352 0.624,1353 17.466,1354 13.72,1355 10.562,1356 0.459,1357 0.349,1358 6.151,1359 9.174,1360 5.79,1361 4.813,1362 11.697,1363 8.032,1364 9.035,1365 0.291,1366 0.185,1367 10.281,1368 5.736,1369 7.65,1370 0.191,1371 0.099,1372 8.789,1373 3.971,1374 5.979,1375 0.125,1376 0.053,1377 6.965,1378 2.558,1379 4.164,1380 0.082,1381 0.034,1382 5.374,1383 1.716,1384 0.469,1385 77.548,1386 0.262,1387 21.406,1388 0.891,1389 108,1390 398.716,1391 166.931,1392 466.156,1393 596.78,1394 430,1395 125,1396 362.102,1397 170.914,1398 398.375,1399 575.31,1400 371,1401 4.951}
{0 CHEMBL1387904,1 1.872,2 11.882,3 3.579,4 12.806,5 128.568,6 9.415,7 0.486,8 4.099,9 4.18,10 3.973,11 3.697,12 5.307,13 3.682,14 4.6,15 4.715,16 4.303,17 4.065,18 6.012,19 4.048,20 4.822,21 4.948,22 4.488,23 4.218,24 6.195,25 4.192,26 4.915,27 5.043,28 4.531,29 4.216,30 6.352,31 4.181,32 4.924,33 5.06,34 4.434,35 4.159,36 6.438,37 4.144,38 4.916,39 5.086,40 4.212,41 4.082,42 6.323,43 4.055,44 4.774,45 4.945,46 4.235,47 4.076,48 6.177,49 4.025,50 4.741,51 4.908,52 4.205,53 4.085,54 5.999,55 4.007,56 0.199,57 0.794,58 8.87,59 4.83,60 20.788,61 4.688,62 0.604,63 1.22,64 16.21,65 7.839,66 61.345,67 8.084,68 0.674,69 1.488,70 23.501,71 10.157,72 71.449,73 10.016,74 1.009,75 1.563,76 33.569,77 11.559,78 99.335,79 10.688,80 1.045,81 1.57,82 34.872,83 11.85,84 117.691,85 10.666,86 1.191,87 1.49,88 29.731,89 10.422,90 181.171,91 9.581,92 0.938,93 1.318,94 25.716,95 9.778,96 125.521,97 11.163,98 0.62,99 1.309,100 22.724,101 9.934,102 52.568,103 11.562,104 51,105 54,106 0.305,107 0.616,108 0.739,109 0.856,110 0.893,111 0.899,112 3.561,113 0.957,114 -3.53,115 -3.5,116 -3.34,120 43.4,125 2,143 11,144 2,145 5,158 1,159 2,167 1,174 10,176 2,177 4,180 3,182 3,185 10,188 2,189 11,192 1,194 6,197 7,200 3,201 14,204 2,206 4,209 1,214 16,217 3,218 1,219 3,222 3,226 1,227 7,230 1,232 1,235 9,239 3,240 4,243 1,245 1,247 11,251 3,252 6,255 1,257 4,260 8,263 3,264 8,267 1,269 3,271 2,274 1992,275 22.463,276 22.463,277 22.463,278 22.463,279 22.463,280 19.593,281 22.757,282 12.905,283 23.006,284 18.149,285 18.149,286 18.149,287 18.149,288 18.149,289 13.574,290 23.259,291 5.998,292 18.989,293 3.856,294 1.955,295 1.199,296 0.481,297 0.255,298 0.217,299 4.249,303 1,307 1,308 865,309 4.123,313 420.483,317 160.278,320 1.779,321 56.936,324 1,325 0.67,326 1,327 0.4,329 1,330 1,331 0.72,332 75.333,333 404,334 4.899,335 4.712,336 7.415,337 4.371,338 3.453,339 4.756,340 1.058,341 12.974,342 3.206,343 4.566,344 3.775,345 6.843,346 4.226,347 3.235,348 4.156,349 1.058,350 11.308,351 3.141,352 4.155,353 3.557,354 6.092,355 3.723,356 2.78,357 3.773,358 0.86,359 8.7,360 2.651,361 4.02,362 3.143,363 6.054,364 3.629,365 2.654,366 3.575,368 8.534,369 2.536,370 3.872,371 2.79,372 5.708,373 3.428,374 2.458,375 3.244,377 7.634,378 2.359,379 3.574,380 2.68,381 5.511,382 3.234,383 2.263,384 2.828,386 6.898,387 2.194,388 3.461,389 2.389,390 5.237,391 3.056,392 2.105,393 2.752,395 6.409,396 1.991,397 2.967,398 2.269,399 4.545,400 2.527,401 1.519,402 2.064,404 4.243,405 1.52,406 2.891,407 1.928,408 4.382,409 2.433,410 1.462,411 2.034,413 3.849,414 1.421,415 2.838,416 1.645,417 4.054,418 2.402,419 1.414,420 1.961,422 3.205,423 1.4,424 2.833,425 1.537,426 3.69,427 2.337,428 1.402,429 1.961,431 3.035,432 1.231,433 2.66,434 1.324,435 3.642,436 2.143,437 1.154,438 1.711,440 2.951,441 1.137,442 2.487,443 1.313,444 3.599,445 1.912,446 0.908,447 1.369,449 2.286,450 0.905,451 1.923,452 1.104,453 3.259,454 1.53,455 0.633,456 0.724,458 1.193,459 0.558,460 1.797,461 1.09,462 3.205,463 1.371,464 0.367,465 0.501,467 0.831,468 0.364,469 16.314,470 0.48,471 1.05,472 0.031,473 48.75,474 1.434,475 27,476 0.794,477 21.75,478 0.64,479 26.458,480 0.778,481 35.886,482 0.677,483 44.372,484 1.305,485 9.855,486 0.29,487 6.352,488 0.187,489 0.187,490 0.051,491 0.331,496 0.596,497 1.214,498 0.664,499 1.1,500 0.62,501 0.843,502 0.735,503 1.069,504 0.722,505 0.839,506 0.589,507 0.792,508 0.959,509 1.157,510 0.916,511 1.056,512 0.928,513 0.95,514 1.194,515 1.165,516 1.113,517 1.133,518 1.263,519 1.032,520 1.269,521 1.171,522 1.25,523 1.283,524 1.393,525 1.056,526 1.557,527 0.817,528 0.966,529 0.738,530 1.712,531 0.895,532 0.72,533 0.871,534 0.781,535 0.82,536 0.62,537 0.9,538 0.65,539 1.055,540 0.858,541 1.06,542 0.575,543 1.128,544 8,545 0.301,546 5.111,547 3.375,548 3.111,549 1.389,550 0.954,551 0.599,552 0.471,553 0.452,554 15759,555 55069,556 2.018,557 35.8,559 17,562 2,567 1.763,568 1.846,569 3.528,570 0.264,575 99.218,576 1.872,577 3.773,578 4.529,579 5.247,580 5.473,581 5.511,582 2.903,583 4.793,584 5.063,585 3.717,586 2085.36,587 8.892,588 31380.4,593 303.58,594 1.667,595 4.989,596 0.216,597 0.008,598 0.095,599 0.056,600 0.054,601 0.025,602 0.021,603 0.013,604 0.011,605 0.012,606 0.51,607 0.33,608 0.75,609 0.769,610 180.83,611 0.031,612 -0.064,613 0.121,614 -0.077,615 -0.121,616 0.017,617 0.113,618 0.018,619 0.058,620 0.099,621 0.136,622 0.083,623 -0.043,624 -0.09,625 0.015,626 -0.067,627 -0.033,628 -0.046,629 -0.05,630 -0.124,631 -0.045,632 -0.084,633 -0.082,634 -0.118,635 -0.085,636 -0.126,637 -0.176,638 -0.215,639 -0.031,640 -0.134,641 -0.313,642 0.169,643 -0.135,644 0.157,645 -0.276,646 0.025,647 0.194,648 0.083,649 0.103,650 0.096,651 0.195,652 0.09,653 0.117,654 -0.091,655 0.042,656 -0.107,657 0.062,658 -0.123,659 5.037,660 6.086,661 0.647,662 32.657,663 1.029,664 1.117,665 2.296,666 5.273,667 0.715,668 3.638,669 4.007,670 4.29,671 4.554,672 4.804,673 4.796,674 4.898,675 4.949,676 5.05,677 5.112,678 7.219,679 0.696,680 498.98,681 3.638,682 5.209,683 6.075,684 6.978,685 7.864,686 8.768,687 9.66,688 10.565,689 11.46,690 12.364,691 7.5,696 1,698 2,700 1,709 11,714 7,716 18,735 1,737 1,738 53,739 23,740 3,741 37,743 56,744 23,745 18,746 7,747 11,748 3,752 4,753 5,754 1,755 1,768 21,769 2,772 5,776 1,778 4,781 1,782 3,789 19,790 9,791 2,792 11,793 2,797 4,803 0.75,804 5,823 4,827 1,838 1,855 3,857 1,859 2,860 1,862 34,866 1,871 2,872 1,875 1,885 1,886 9.4,889 4,891 1,893 18.417,894 10.21,895 7.403,896 2.813,898 3.531,899 1.445,900 0.997,901 6.73,902 11.464,903 3.951,904 4.59,905 5.14,906 5.687,907 6.216,908 6.345,909 6.672,910 6.894,911 7.2,912 7.428,913 0.875,914 60,915 12.962,917 6.02,918 8.123,919 23.072,921 18.873,924 2.623,925 89.194,929 200.109,930 163.671,931 54.081,932 39.149,933 105.603,935 5.807,936 157.864,937 344.86,938 54.081,939 19.279,940 21.013,941 110.046,942 123.174,943 49.842,945 200.109,946 39.149,947 200.109,948 211.944,949 105.603,950 44.956,952 200.109,953 105.603,956 37.676,957 157.864,958 61.361,960 200.109,961 159.683,962 202.82,964 5.807,965 200.109,966 34.345,967 126.52,968 34.416,969 161.414,970 200.109,971 159.683,972 202.82,973 0.593,974 0.358,975 0.193,976 0.11,977 26,978 13,979 0.107,980 6,981 1,982 1.091,983 4.247,984 327.284,985 0.091,986 22,987 170.974,992 1,993 23.921,994 9.565,995 4.864,997 159.683,998 17.183,1003 1.194,1005 34.416,1006 562.612,1007 51,1011 -4.12,1013 51.544,1016 4.09,1017 -0.929,1020 54.513,1021 59.226,1022 0.327,1023 0.659,1024 0.791,1025 0.916,1026 0.955,1027 0.962,1028 5.212,1029 1.519,1030 6.111,1031 6.409,1032 4.691,1033 5.278,1034 1.94,1035 6.999,1036 4.606,1037 6.467,1038 1.462,1039 7.73,1040 4.243,1041 4.511,1042 5.345,1044 8.202,1045 4.344,1046 7.825,1047 1.414,1048 9.458,1049 3.849,1050 6.399,1051 7.578,1052 1.962,1053 11.288,1054 6.218,1055 9.223,1056 1.402,1057 11.253,1058 3.205,1059 7.013,1060 8.446,1062 13.302,1063 6.74,1064 10.656,1065 1.154,1066 13.09,1067 3.035,1068 8.436,1069 10.217,1070 2.005,1071 15.988,1072 8.142,1073 12.113,1074 0.908,1075 14.957,1076 2.951,1077 9.389,1078 11.438,1080 18.319,1081 9.008,1082 13.591,1083 0.633,1084 16.846,1085 2.286,1086 10.656,1087 13.049,1088 2.066,1089 20.894,1090 10.24,1091 3.453,1092 0.367,1093 18.753,1094 1.193,1095 11.755,1096 14.434,1098 23.351,1099 11.26,1100 3.235,1101 12.974,1102 20.674,1103 0.831,1104 12.974,1105 15.988,1106 2.139,1107 25.898,1108 12.431,1109 2.78,1110 11.308,1111 22.606,1112 4.756,1113 14.137,1114 17.452,1116 28.407,1117 13.52,1118 2.654,1119 8.7,1120 24.547,1121 4.156,1122 15.346,1123 18.99,1124 2.222,1125 30.949,1126 14.672,1127 2.458,1128 8.534,1129 26.497,1130 3.773,1131 16.538,1132 20.494,1134 33.48,1135 15.795,1136 2.263,1137 7.634,1138 28.454,1139 3.575,1140 17.748,1141 22.03,1142 2.311,1143 36.025,1144 16.943,1145 2.105,1146 6.898,1147 30.416,1148 3.244,1149 18.954,1150 23.555,1152 38.567,1153 18.08,1154 15147,1155 28521,1156 23.868,1157 37.892,1158 56.626,1159 59.824,1160 58.906,1161 56.006,1162 55.89,1163 75.155,1164 5.953,1165 168.748,1166 53.445,1167 5.788,1168 6.712,1169 7.102,1170 5.447,1171 5.453,1172 7.756,1173 2.117,1174 20.801,1175 5.206,1176 20.227,1177 1.53,1178 1.617,1179 1.592,1180 1.514,1181 1.511,1182 2.031,1183 0.161,1184 4.561,1185 1.444,1186 4.106,1187 4.095,1188 4.739,1189 4.078,1190 7.717,1191 4.007,1192 3.993,1193 4.01,1194 3.982,1195 3.912,1196 7.432,1197 3.912,1198 3.868,1199 3.891,1200 3.969,1201 3.813,1202 7.425,1203 3.805,1204 3.637,1205 3.627,1206 3.749,1207 3.544,1208 6.999,1209 3.476,1210 3.51,1211 3.558,1212 3.452,1213 3.308,1214 4.942,1215 3.331,1216 3.379,1217 3.413,1218 3.317,1219 3.123,1220 4.835,1221 3.159,1222 3.215,1223 3.272,1224 3.292,1225 2.954,1226 4.776,1227 2.966,1228 2.983,1229 3.041,1230 3.059,1231 2.809,1232 4.449,1233 2.781,1234 0.132,1235 0.127,1236 0.2,1237 0.118,1238 0.093,1239 4.899,1240 0.129,1241 4.712,1242 0.029,1243 7.415,1244 0.351,1245 4.371,1246 0.087,1247 3.453,1248 4.756,1249 1.058,1250 12.974,1251 3.206,1252 1.978,1253 1.983,1254 2.036,1255 2.079,1256 1.187,1257 2.085,1258 1.946,1259 1.93,1260 1.977,1261 2.038,1262 1.139,1263 2.045,1264 1.856,1265 1.834,1266 1.946,1267 1.94,1268 1.046,1269 1.95,1270 1.473,1271 1.485,1272 1.659,1273 1.691,1274 0.694,1275 1.687,1276 1.408,1277 1.372,1278 1.575,1279 1.616,1280 0.596,1281 1.639,1282 1.262,1283 1.218,1284 1.404,1285 1.556,1286 0.576,1287 1.559,1288 1.164,1289 1.097,1290 1.245,1291 1.426,1292 0.411,1293 1.428,1294 0.961,1295 0.902,1296 1.189,1297 1.197,1298 0.235,1299 1.196,1300 4.317,1302 5.673,1304 7.232,1306 8.883,1308 10.584,1310 2.784,1311 6.085,1317 5.07,1318 5.216,1321 1.078,1326 36.889,1327 99.218,1328 199.963,1329 240.016,1330 278.07,1331 290.07,1332 292.07,1333 93.608,1334 7.932,1335 119.39,1336 127.77,1337 24,1338 12.885,1339 4.585,1340 3.907,1341 56.781,1342 149,1343 136,1344 0.186,1345 233.314,1346 414.31,1347 561.047,1348 32813,1349 1.9,1350 24.457,1351 0.719,1352 0.578,1353 25.207,1354 19.645,1355 16.208,1356 0.438,1357 0.319,1358 9.926,1359 14.49,1360 9.511,1361 7.907,1362 17.317,1363 11.799,1364 15.23,1365 0.282,1366 0.172,1367 16.882,1368 9.286,1369 12.785,1370 0.178,1371 0.093,1372 14.238,1373 6.717,1374 10.472,1375 0.111,1376 0.052,1377 11.973,1378 4.881,1379 8.892,1380 0.073,1381 0.029,1382 10.452,1383 3.456,1384 0.29,1385 113.759,1386 0.205,1387 31.142,1388 0.512,1389 182,1390 639.697,1391 253.924,1392 661.582,1393 878,1394 608,1395 217,1396 589.852,1397 297.042,1398 642.247,1399 938.73,1400 599,1401 4.736}
{0 CHEMBL1390620,1 1.841,2 10.667,3 2.54,4 6.451,5 103.388,6 8.933,7 0.414,8 3.947,9 4.025,10 3.802,11 3.505,12 5.052,13 3.479,14 4.504,15 4.634,16 4.095,17 3.871,18 5.831,19 3.837,20 4.712,21 4.863,22 4.235,23 4.028,24 5.95,25 3.968,26 4.765,27 4.922,28 4.269,29 4.024,30 6.088,31 3.945,32 4.763,33 4.926,34 4.23,35 3.952,36 6.168,37 3.902,38 4.651,39 4.813,40 4.036,41 3.912,42 6.108,43 3.835,44 4.651,45 4.838,46 3.94,47 3.91,48 5.781,49 3.794,50 4.675,51 4.874,52 3.82,53 3.739,54 5.899,55 3.656,56 0.158,57 0.661,58 9.634,59 4.629,60 20.106,61 4.857,62 0.643,63 1.033,64 18.695,65 7.559,66 63.019,67 8.09,68 0.679,69 1.242,70 27.247,71 10.006,72 56.305,73 10.728,74 0.753,75 1.264,76 32.431,77 10.797,78 89.242,79 11.076,80 1.018,81 1.192,82 36.907,83 10.251,84 129.407,85 10.897,86 0.929,87 1.138,88 23.977,89 9.108,90 120.466,91 10.542,92 0.541,93 1.162,94 30.583,95 10.664,96 56.058,97 11.834,98 0.893,99 1.019,100 33.528,101 9.597,102 122.439,103 10.107,104 27,105 41,106 0.316,107 0.636,108 0.767,109 0.84,110 0.847,111 0.847,112 3.34,113 1.046,114 -2.66,115 -2.68,116 -2.61,120 39.1,125 1,126 4,143 7,144 1,145 4,159 1,174 5,176 2,177 3,180 2,182 2,185 6,188 1,189 9,194 4,197 4,201 10,204 2,206 2,209 1,213 1,214 9,219 1,222 4,226 6,227 3,230 1,235 6,240 6,243 1,247 6,252 5,260 3,263 2,264 4,271 1,274 1114,275 17.946,276 17.946,277 17.946,278 17.946,279 17.946,280 16.089,281 19.628,282 10.501,283 18.649,284 14.216,285 14.216,286 14.216,287 14.216,288 14.216,289 11.264,290 19.191,291 4.86,292 15.281,293 3.682,294 1.812,295 1.052,296 0.625,297 0.582,298 0.582,299 4.016,303 1,306 1,307 1,308 607,309 3.742,313 275.903,320 1.531,321 44.99,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60.333,333 288,334 4.867,335 4.688,336 7.317,337 4.335,338 3.412,339 4.719,340 1.2,341 12.563,342 3.142,343 4.362,344 3.713,345 6.602,346 4.024,347 3.045,348 3.945,349 0.86,350 10.396,351 2.953,352 4.133,353 3.217,354 6.023,355 3.664,356 2.753,357 3.734,358 0.86,359 8.544,360 2.476,361 3.69,362 2.738,363 5.728,364 3.408,365 2.465,366 2.909,367 0.293,368 7.628,369 2.315,370 3.134,371 2.501,372 4.914,373 2.749,374 1.795,375 2.362,377 5.181,378 1.7,379 2.994,380 2.173,381 4.526,382 2.618,383 1.65,384 2.086,386 4.376,387 1.59,388 2.867,389 1.929,390 4.159,391 2.392,392 1.471,393 2.003,395 3.664,396 1.38,397 2.847,398 1.776,399 3.815,400 2.349,401 1.392,402 1.978,404 3.193,405 1.233,406 2.56,407 1.453,408 3.605,409 2.22,410 1.304,411 1.548,413 2.921,414 1.183,415 2.109,416 1.308,417 3.278,418 1.952,419 1,420 1,422 2.136,423 0.946,424 2,425 1.256,426 3.247,427 1.716,428 0.715,429 0.934,431 1.698,432 0.703,433 1.779,434 1.059,435 3.235,436 1.455,437 0.594,438 0.681,440 1.022,441 0.497,442 1.307,443 0.423,444 2.884,445 0.937,446 -0.041,447 -0.052,449 -0.108,450 -0.04,451 1,452 0.307,453 2.606,454 0.529,455 -0.29,456 -0.342,458 -0.518,459 -0.197,460 0.96,461 0.075,462 2.283,463 0.236,464 -0.695,465 -0.782,467 -1.604,468 -0.577,469 13.014,470 0.482,471 0.752,472 0.028,473 35,474 1.296,475 17.5,476 0.648,477 17.5,478 0.648,479 21.474,480 0.795,481 30.186,482 0.656,483 29.037,484 1.075,485 7.048,486 0.261,487 5.872,488 0.217,489 0.17,490 0.064,491 0.261,496 0.643,497 1.443,498 0.684,499 1.242,500 0.626,501 0.954,502 0.962,503 0.997,504 0.789,505 0.81,506 0.62,507 0.817,508 0.991,509 1.124,510 0.957,511 1.025,512 0.881,513 0.957,514 1.184,515 1.126,516 0.987,517 1.036,518 1.471,519 1.021,520 1.124,521 0.987,522 1.158,523 1.117,524 1.55,525 0.964,526 0.664,527 0.95,528 0.827,529 0.917,530 0.857,531 1.013,532 0.789,533 1.194,534 1.125,535 1.305,536 0.762,537 1.117,538 1.488,539 0.859,540 1.163,541 0.932,542 1.778,543 0.92,544 6,545 0.12,546 4,547 2.375,548 1.907,549 1.104,550 0.589,551 0.469,552 0.288,553 0.172,554 8095,555 28066,556 2.005,557 41.3,559 18,562 1,567 1.704,568 1.851,569 3.376,570 -0.236,571 1,572 1,575 84.705,576 1.841,577 3.711,578 4.471,579 4.898,580 4.942,581 4.942,582 2.844,583 4.533,584 4.726,585 3.494,586 1226.5,587 8.224,588 15460.4,590 1,592 1,593 254.084,594 1.623,595 4.663,596 0.207,597 0.007,598 0.098,599 0.054,600 0.047,601 0.028,602 0.016,603 0.014,604 0.011,605 0.008,606 0.489,607 0.33,608 1,609 0.803,610 132.749,611 0.02,612 -0.231,613 0.142,614 -0.137,615 -0.108,616 -0.013,617 0.005,618 0.111,619 0.02,620 0.143,621 0.142,622 0.085,623 -0.075,624 -0.059,625 -0.003,626 -0.01,627 -0.009,628 -0.003,629 -0.16,630 -0.082,631 0.013,632 -0.004,633 -0.148,634 -0.072,635 -0.011,636 0.003,637 -0.02,638 -0.089,639 -0.086,640 0.001,641 0.266,642 0.082,643 -0.015,644 0.022,645 0.251,646 -0.067,647 -0.022,648 -0.15,649 -0.099,650 -0.171,651 0.02,652 -0.083,653 -0.297,654 0.061,655 -0.111,656 0.059,657 -0.31,658 0.056,659 4.85,660 5.778,661 0.667,662 22.491,663 1.026,664 1.123,665 1.435,666 2.059,667 0.688,668 3.401,669 3.738,670 3.989,671 4.19,672 4.394,673 4.394,674 4.454,675 4.369,676 4.431,677 4.477,678 6.133,679 0.66,680 410.91,681 3.401,682 4.949,683 5.796,684 6.678,685 7.545,686 8.431,687 9.305,688 10.194,689 11.071,690 11.96,691 4.3,696 1,698 1,709 7,714 5,716 12,724 1,735 1,737 1,738 46,739 15,740 2,741 29,743 48,744 18,745 12,746 5,747 7,748 1,752 3,753 3,754 1,768 13,769 5,772 3,776 1,778 3,782 1,786 1,789 19,790 7,791 1,792 9,793 2,797 2,803 1,804 5,823 3,854 1,855 3,857 1,859 1,860 1,862 27,866 1,869 4,871 1,872 2,875 1,885 1,886 10.9,889 3,890 1,891 1,893 14.583,894 8.426,895 5.986,896 2.536,898 2.384,899 1.337,900 0.969,901 6.269,902 9.452,903 3.664,904 4.263,905 4.754,906 5.238,907 5.731,908 5.894,909 6.127,910 6.079,911 6.342,912 6.698,913 1,914 44,915 10.326,917 4.721,918 8.075,919 18.651,921 15.211,924 2.575,925 69.528,928 1,929 211.88,930 117.362,931 19.529,932 39.149,933 91.458,935 5.807,936 111.555,937 342.486,938 19.529,939 10.883,940 16.52,941 72.141,942 101.567,943 27.237,945 211.88,946 39.149,947 211.88,948 131.084,949 91.458,950 44.956,952 211.88,953 80.458,954 11,956 16.52,957 98.159,958 61.361,960 211.88,961 110.987,962 156.511,964 5.807,965 211.88,966 34.338,967 80.341,968 16.405,969 130.606,970 211.88,971 110.987,972 156.511,973 0.584,974 0.349,975 0.181,976 0.096,977 19,978 9,979 0.104,980 5,982 1,983 3.734,984 229.243,986 18,987 122.382,992 1,993 19.955,994 8.482,995 4.553,997 110.987,998 10.661,1003 1.016,1005 16.405,1006 479.378,1007 38,1011 -3.933,1013 38.277,1017 -0.246,1020 47.193,1021 51.644,1022 0.333,1023 0.672,1024 0.809,1025 0.887,1026 0.895,1027 0.895,1028 4.913,1029 1.392,1030 5.82,1031 3.664,1032 4.419,1033 4.949,1034 1.923,1035 6.683,1036 4.287,1037 6.145,1038 1.304,1039 7.426,1040 3.193,1041 4.205,1042 5.066,1043 0.325,1044 7.919,1045 3.975,1046 7.5,1047 1,1048 9.15,1049 2.921,1050 6.111,1051 7.25,1052 1.905,1053 10.96,1054 5.853,1055 8.9,1056 0.715,1057 10.945,1058 2.136,1059 6.723,1060 8.194,1061 0.653,1062 13.003,1063 6.36,1064 10.339,1065 0.594,1066 12.787,1067 1.698,1068 8.153,1069 9.934,1070 1.99,1071 15.65,1072 7.757,1073 11.806,1074 -0.041,1075 14.659,1076 1.022,1077 9.105,1078 11.211,1079 1.001,1080 17.981,1081 8.611,1082 13.292,1083 -0.29,1084 16.553,1085 -0.108,1086 10.372,1087 12.808,1088 2.144,1089 20.523,1090 9.831,1091 3.412,1092 -0.695,1093 18.463,1094 -0.518,1095 11.466,1096 14.224,1097 1.37,1098 22.964,1099 10.836,1100 3.045,1101 12.563,1102 20.385,1103 -1.604,1104 12.68,1105 15.775,1106 2.352,1107 25.481,1108 11.99,1109 2.753,1110 10.396,1111 22.317,1112 4.719,1113 13.834,1114 17.254,1115 1.754,1116 27.967,1117 13.06,1118 2.465,1119 8.544,1120 24.258,1121 3.945,1122 15.035,1123 18.791,1124 2.601,1125 30.482,1126 14.192,1127 1.795,1128 7.628,1129 26.204,1130 3.734,1131 16.217,1132 20.302,1133 2.143,1134 32.987,1135 15.291,1136 1.65,1137 5.181,1138 28.157,1139 2.909,1140 17.418,1141 21.838,1142 2.879,1143 35.505,1144 16.417,1145 1.471,1146 4.376,1147 30.114,1148 2.362,1149 18.614,1150 23.364,1151 2.535,1152 38.021,1153 17.531,1154 7977,1155 15022,1156 18.781,1157 31.642,1158 43.236,1159 45.754,1160 45.149,1161 43.339,1162 43.194,1163 55.795,1164 6.426,1165 126.643,1166 40.24,1167 5.867,1168 6.688,1169 7.119,1170 5.438,1171 5.412,1172 7.719,1173 2.293,1174 20.108,1175 5.142,1176 14.505,1177 1.491,1178 1.578,1179 1.557,1180 1.494,1181 1.489,1182 1.924,1183 0.222,1184 4.367,1185 1.388,1186 4.099,1187 4.083,1188 4.739,1189 4.078,1190 7.717,1191 4.001,1192 3.912,1193 3.93,1194 3.94,1195 3.838,1196 7.427,1197 3.835,1198 3.745,1199 3.793,1200 3.875,1201 3.56,1202 6.999,1203 3.552,1204 3.621,1205 3.59,1206 3.62,1207 3.515,1208 4.978,1209 3.464,1210 3.197,1211 3.266,1212 3.25,1213 2.977,1214 4.721,1215 3.005,1216 3.194,1217 3.21,1218 3.128,1219 2.941,1220 4.608,1221 2.913,1222 3.111,1223 3.206,1224 2.999,1225 2.914,1226 4.494,1227 2.91,1228 2.879,1229 2.922,1230 2.866,1231 2.795,1232 4.22,1233 2.767,1234 0.168,1235 0.162,1236 0.252,1237 0.149,1238 0.118,1239 4.867,1240 0.163,1241 4.688,1242 0.041,1243 7.317,1244 0.433,1245 4.335,1246 0.108,1247 3.412,1248 4.719,1249 1.2,1250 12.563,1251 3.142,1252 1.975,1253 1.983,1254 2.016,1255 2.064,1256 1.215,1257 2.082,1258 1.881,1259 1.864,1260 1.927,1261 1.983,1262 1.167,1263 1.989,1264 1.679,1265 1.624,1266 1.893,1267 1.895,1268 1.056,1269 1.899,1270 1.429,1271 1.47,1272 1.568,1273 1.62,1274 0.825,1275 1.646,1276 1.153,1277 1.073,1278 1.513,1279 1.433,1280 0.613,1281 1.468,1282 1.148,1283 1.064,1284 1.25,1285 1.376,1286 0.503,1287 1.429,1288 1.082,1289 1.06,1290 1.217,1291 1.346,1292 0.319,1293 1.304,1294 0.868,1295 0.824,1296 1.104,1297 1.033,1298 0.187,1299 1.069,1300 4.078,1302 5.407,1304 6.944,1306 8.567,1308 10.231,1310 1.446,1311 6.032,1315 1.857,1317 2.482,1318 10.297,1321 1.64,1326 30.373,1327 84.705,1328 170.727,1329 205.677,1330 225.329,1331 227.329,1332 227.329,1333 71.008,1334 7.067,1335 84.94,1336 93.32,1337 18,1338 12.492,1339 4,1340 3.322,1341 46.814,1342 98,1343 108,1344 0.233,1345 193.794,1346 342.27,1347 464.618,1348 10738,1349 2.2,1350 19.441,1351 0.72,1352 0.601,1353 20.191,1354 16.217,1355 12.92,1356 0.446,1357 0.349,1358 8.239,1359 11.236,1360 7.907,1361 6.504,1362 14.03,1363 10.107,1364 11.814,1365 0.288,1366 0.194,1367 13.485,1368 7.942,1369 9.801,1370 0.185,1371 0.109,1372 11.233,1373 5.792,1374 7.809,1375 0.12,1376 0.064,1377 9.219,1378 4.141,1379 6.063,1380 0.076,1381 0.036,1382 7.482,1383 2.88,1384 0.36,1385 93.554,1386 0.231,1387 25.687,1388 0.655,1389 140,1390 507.719,1391 208.814,1392 523.466,1393 683.19,1394 482,1395 164,1396 430.601,1397 238.502,1398 479.048,1399 699.73,1400 446,1401 4.337}
{0 CHEMBL1390804,1 1.659,2 10.125,3 3.719,4 13.828,5 98.126,6 10.059,7 0.778,8 3.769,9 3.876,10 3.608,11 3.403,12 4.933,13 3.381,14 4.264,15 4.414,16 4.029,17 3.809,18 5.371,19 3.775,20 4.48,21 4.637,22 4.193,23 3.939,24 5.63,25 3.868,26 4.529,27 4.722,28 4.27,29 3.895,30 5.665,31 3.788,32 4.388,33 4.593,34 3.681,35 3.675,36 5.478,37 3.545,38 4.184,39 4.396,40 3.77,41 3.465,42 5.394,43 3.403,44 4.047,45 4.226,46 3.688,47 3.441,48 5.254,49 3.36,50 4.049,51 4.268,52 3.634,53 3.42,54 5.08,55 3.307,56 0.067,57 0.572,58 3.723,59 3.023,60 5.84,61 3.605,62 0.145,63 0.924,64 9.534,65 5.111,66 10.107,67 5.925,68 0.271,69 1.071,70 18.934,71 7.075,72 25.785,73 8.198,74 0.288,75 1.094,76 20.594,77 8.019,78 32.343,79 9.363,80 0.275,81 0.898,82 40.496,83 8.328,84 35.033,85 8.917,86 0.283,87 0.771,88 16.205,89 5.476,90 32.221,91 6.286,92 0.207,93 0.667,94 10.591,95 4.859,96 26.19,97 5.767,98 0.161,99 0.673,100 21.532,101 5.559,102 19.73,103 6.46,104 10,105 39,106 0.29,107 0.625,108 0.747,109 0.838,110 0.86,111 0.878,112 3.229,113 0.934,114 -4.11,115 -4.05,116 -3.83,118 1,120 47.4,125 1,126 1,143 7,144 3,145 1,146 2,147 1,153 1,158 1,167 2,174 11,176 1,177 1,185 14,189 3,191 2,197 12,199 2,201 4,203 2,209 6,211 2,214 2,222 2,224 2,226 1,227 4,235 1,237 2,239 2,240 5,247 2,249 2,252 6,260 2,262 1,264 6,271 2,274 730,275 16.24,276 16.24,277 16.24,278 16.24,279 16.24,280 13.655,281 11.561,282 9.393,283 16.532,284 13.327,285 13.327,286 13.327,287 13.327,288 13.327,289 9.406,290 14.591,291 4.461,292 13.861,293 3.588,294 1.679,295 0.978,296 0.461,297 0.336,298 0.23,299 3.926,305 1,306 1,307 1,308 541,309 2.828,312 53.529,313 178.276,316 92.794,317 101.804,320 1.469,321 17.16,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50.75,333 243,334 4.631,335 3.63,336 6.748,337 4.118,338 3.178,339 4.603,340 1.38,341 10.938,342 3.009,343 4.436,344 3.316,345 6.255,346 3.982,347 2.978,348 4.352,350 9.437,351 2.956,352 4.007,353 2.867,354 5.929,355 3.641,356 2.638,357 3.453,359 8.307,360 2.649,361 3.681,362 2.491,363 5.374,364 3.223,365 2.286,366 3.13,368 6.934,369 2.129,370 3.406,371 2.371,372 5.065,373 2.861,374 1.984,375 2.786,377 5.786,378 1.686,379 3.118,380 1.913,381 4.721,382 2.64,383 1.685,384 2.427,386 4.781,387 1.618,388 3.072,389 1.787,390 4.437,391 2.618,392 1.618,393 2.275,395 4.394,396 1.577,397 2.945,398 1.618,399 4.068,400 2.459,401 1.464,402 2.128,404 3.433,405 1.437,406 2.709,407 1.379,408 3.621,409 2.201,410 1.181,411 1.73,413 2.87,414 1.196,415 2.281,416 0.949,417 3.582,418 1.759,419 0.823,420 1.183,422 2.072,423 0.73,424 2.147,425 0.697,426 3.161,427 1.649,428 0.647,429 0.963,431 1.521,432 0.647,433 1.252,434 0.59,435 2.842,436 0.872,437 -0.096,438 -0.121,440 -0.257,441 -0.083,442 1.031,443 0.229,444 2.647,445 0.545,446 -0.353,447 -0.44,449 -0.904,450 -0.216,451 0.979,452 -0.273,453 2.343,454 0.414,455 -0.486,456 -0.695,458 -1.168,459 -0.48,460 0.882,461 -0.429,462 2.15,463 0.382,464 -0.618,465 -0.852,467 -1.597,468 -0.599,469 12.267,470 0.511,471 0.644,472 0.027,473 33.75,474 1.406,475 18.5,476 0.771,477 15.25,478 0.635,479 18.091,480 0.754,481 23.433,482 0.617,483 22.299,484 0.929,485 6.606,486 0.275,487 5.008,488 0.209,489 0.177,491 0.351,496 0.537,497 1.055,498 0.462,499 0.767,500 0.515,501 0.787,502 0.886,503 0.969,504 0.556,505 0.683,506 0.611,507 0.725,508 0.872,509 1.078,510 0.877,511 1.063,512 1.082,513 1.063,514 0.986,515 1.015,516 0.956,517 1.056,518 1.166,519 1.082,520 1.467,521 0.999,522 1.805,523 1.411,524 1.661,525 1.242,526 1.162,527 0.843,528 0.594,529 0.792,530 1.333,531 0.814,532 0.943,533 1.036,534 0.682,535 0.875,536 1.327,537 0.955,538 0.983,539 0.94,540 1.31,541 0.988,542 0.771,543 0.897,544 5,545 0.099,546 2.889,547 2.035,548 1.48,549 0.663,550 0.407,551 0.348,552 0.185,553 0.163,554 6834,555 19554,556 2.135,557 36.8,559 12,561 2,567 1.666,568 2,569 3.314,570 -0.74,572 1,575 63.06,576 1.659,577 3.569,578 4.27,579 4.787,580 4.912,581 5.018,582 2.736,583 4.418,584 4.561,585 3.441,586 949.595,587 7.852,588 11063.2,589 1,590 1,592 1,593 199.421,594 1.406,595 4.518,596 0.185,597 0.007,598 0.074,599 0.052,600 0.045,601 0.028,602 0.017,603 0.015,604 0.009,605 0.009,606 0.441,607 0.67,608 1,609 0.566,610 113.987,611 0.141,612 0.017,613 0.006,614 -0.023,615 -0.011,616 -0.01,617 -0.077,618 0.105,619 0.022,620 0.115,621 -0.014,622 0.107,623 0.077,624 -0.09,625 -0.019,626 -0.152,627 -0.072,628 -0.16,629 0.057,630 -0.062,631 0.065,632 -0.064,633 -0.01,634 -0.102,635 -0.247,636 -0.099,637 -0.274,638 -0.25,639 -0.207,640 -0.189,641 0.099,642 0.132,643 0.1,644 0.116,645 0.172,646 0.155,647 0.183,648 -0.093,649 0.052,650 0.039,651 0.094,652 -0.007,653 -0.083,654 0.005,655 -0.042,656 0.095,657 0.025,658 0.153,659 1.61,660 5.633,661 0.792,662 18.118,663 1.009,664 1.114,665 2.876,666 8.274,667 0.737,668 3.332,669 3.689,670 3.989,671 4.277,672 4.454,673 4.522,674 4.615,675 4.71,676 4.736,677 4.663,678 5.925,679 0.703,680 382.26,681 3.332,682 4.89,683 5.759,684 6.653,685 7.532,686 8.428,687 9.311,688 10.208,689 11.092,690 11.989,691 10.5,699 1,701 3,708 4,709 9,710 2,714 2,715 2,716 21,721 1,737 1,738 38,739 22,740 2,741 27,742 1,743 41,744 18,745 15,746 3,747 7,748 1,752 4,753 6,768 16,769 2,772 1,778 1,782 1,786 1,789 14,790 3,792 6,793 1,797 4,798 1,803 0.5,804 1,816 1,822 1,823 3,826 1,827 1,855 2,858 1,859 1,862 24,869 1,883 1,885 1,886 2.6,889 1,893 12,894 7.41,895 5.139,896 2.235,898 4.199,899 1.565,900 1.041,901 3.812,902 11.626,903 3.676,904 4.379,905 5.054,906 5.705,907 6.247,908 6.589,909 6.974,910 7.343,911 7.565,912 7.581,913 0.857,914 39,915 8.836,917 3.803,918 7.705,919 16.86,921 13.988,924 2.205,925 52.917,929 164.795,930 115.739,931 82.833,933 25.145,936 161.693,937 189.94,938 36.879,939 8.396,940 2.106,941 66.334,942 88.923,943 33.402,944 2.144,945 141.253,946 45.954,947 164.795,948 152.618,949 25.145,951 45.954,952 164.795,953 25.145,956 24.121,957 93.394,958 35.103,959 45.954,960 164.795,961 62.024,962 161.693,965 164.795,966 22.914,967 96.501,968 45.954,969 58.348,970 164.795,971 62.024,972 161.693,973 0.592,974 0.354,975 0.196,976 0.099,977 21,978 9,979 0.073,980 3,981 2,982 1.211,983 3.653,984 201.457,985 0.211,986 19,987 110.039,993 15.279,994 5.987,995 2.836,996 3.854,997 58.348,998 17.539,999 8.119,1003 1.565,1004 3.535,1006 388.513,1007 38.5,1013 12.633,1017 0.056,1020 38.323,1021 42.328,1022 0.316,1023 0.68,1024 0.814,1025 0.912,1026 0.936,1027 0.956,1028 4.907,1029 1.464,1030 5.759,1031 4.394,1032 4.369,1033 5.066,1034 1.57,1035 6.594,1036 4.297,1037 6.157,1038 1.181,1039 7.334,1040 3.433,1041 4.007,1042 4.997,1044 7.519,1045 3.872,1046 7.491,1047 0.823,1048 9.006,1049 2.87,1050 5.989,1051 7.41,1052 2.11,1053 10.631,1054 5.861,1055 8.863,1056 0.647,1057 10.735,1058 2.072,1059 6.431,1060 8.176,1062 12.383,1063 6.252,1064 10.266,1065 -0.096,1066 12.501,1067 1.521,1068 7.897,1069 10.058,1070 2.695,1071 15.005,1072 7.713,1073 11.691,1074 -0.353,1075 14.292,1076 -0.257,1077 8.712,1078 11.22,1080 17.107,1081 8.482,1082 13.135,1083 -0.486,1084 16.102,1085 -0.904,1086 9.971,1087 12.884,1088 3.306,1089 19.559,1090 9.725,1091 3.178,1092 -0.618,1093 17.927,1094 -1.168,1095 10.959,1096 14.234,1098 21.813,1099 10.666,1100 2.978,1101 10.938,1102 19.763,1103 -1.597,1104 12.137,1105 15.806,1106 3.933,1107 24.207,1108 11.816,1109 2.638,1110 9.437,1111 21.608,1112 4.603,1113 13.203,1114 17.243,1116 26.528,1117 12.836,1118 2.286,1119 8.307,1120 23.461,1121 4.352,1122 14.35,1123 18.776,1124 4.567,1125 28.906,1126 13.948,1127 1.984,1128 6.934,1129 25.321,1130 3.453,1131 15.453,1132 20.253,1134 31.258,1135 15.004,1136 1.685,1137 5.786,1138 27.186,1139 3.13,1140 16.59,1141 21.772,1142 5.206,1143 33.633,1144 16.1,1145 1.618,1146 4.781,1147 29.055,1148 2.786,1149 17.711,1150 23.267,1152 36.001,1153 17.173,1154 6369,1155 10917,1156 18.205,1157 28.017,1158 41.495,1159 42.512,1160 42.364,1161 41.199,1162 40.962,1163 58.061,1164 2.76,1165 120.946,1166 39.268,1167 5.459,1168 5.63,1169 6.435,1170 5.156,1171 5.178,1172 7.603,1173 2.76,1174 17.827,1175 5.009,1176 10.463,1177 1.537,1178 1.575,1179 1.569,1180 1.526,1181 1.517,1182 2.15,1183 0.102,1184 4.479,1185 1.454,1186 4.134,1187 4.178,1188 6.881,1189 4.057,1190 7.427,1191 4.056,1192 4.062,1193 4.089,1194 4.066,1195 3.95,1196 5.16,1197 3.964,1198 3.648,1199 3.7,1200 3.999,1201 3.503,1202 4.887,1203 3.512,1204 3.441,1205 3.502,1206 3.586,1207 3.236,1208 4.476,1209 3.257,1210 3.17,1211 3.222,1212 3.345,1213 3.035,1214 4.284,1215 3.019,1216 3.02,1217 3.09,1218 3.042,1219 2.944,1220 3.976,1221 2.907,1222 2.999,1223 3.048,1224 2.885,1225 2.877,1226 3.851,1227 2.86,1228 2.784,1229 2.835,1230 2.778,1231 2.61,1232 3.694,1233 2.601,1234 0.172,1235 0.134,1236 0.25,1237 0.153,1238 0.118,1239 4.631,1240 0.17,1241 3.63,1242 0.051,1243 6.748,1244 0.405,1245 4.118,1246 0.111,1247 3.178,1248 4.603,1249 1.38,1250 10.938,1251 3.009,1252 2.079,1253 2.061,1254 2.16,1255 2.14,1256 1.295,1257 2.146,1258 1.919,1259 1.885,1260 1.97,1261 2.061,1262 1.168,1263 2.048,1264 1.569,1265 1.541,1266 1.718,1267 1.775,1268 0.845,1269 1.751,1270 1.403,1271 1.314,1272 1.638,1273 1.649,1274 0.686,1275 1.645,1276 1.208,1277 1.153,1278 1.416,1279 1.406,1280 0.557,1281 1.41,1282 1.047,1283 0.996,1284 1.273,1285 1.199,1286 0.356,1287 1.221,1288 0.946,1289 0.898,1290 1.08,1291 1.15,1292 0.164,1293 1.16,1294 0.709,1295 0.662,1296 0.942,1297 0.922,1298 0.044,1299 0.912,1300 4.007,1302 5.352,1303 2.398,1304 6.893,1305 4.727,1306 8.524,1307 6.823,1308 10.202,1309 3.523,1310 1.838,1315 0.253,1326 26.723,1327 63.06,1328 135.631,1329 162.26,1330 181.911,1331 186.666,1332 190.666,1333 32.815,1334 7.427,1335 51.66,1336 51.66,1337 23,1338 12.515,1339 4.524,1340 3.644,1341 34.01,1342 87,1343 74,1344 0.194,1345 169.136,1346 273.91,1347 404.452,1348 17215,1349 2.6,1350 16.681,1351 0.695,1352 0.609,1353 17.681,1354 14.617,1355 11.614,1356 0.43,1357 0.311,1358 7.562,1359 10.686,1360 7.325,1361 6.065,1362 12.192,1363 8.408,1364 10.798,1365 0.277,1366 0.171,1367 11.539,1368 6.675,1369 9.283,1370 0.175,1371 0.09,1372 9.903,1373 4.754,1374 8.171,1375 0.115,1376 0.052,1377 9.105,1378 3.702,1379 6.179,1380 0.073,1381 0.026,1382 6.643,1383 2.214,1384 0.304,1385 80.814,1386 0.234,1387 23.4,1388 0.53,1389 132,1390 369.658,1391 207.634,1392 401.637,1393 545.99,1394 374,1395 158,1396 389.082,1397 205.756,1398 407.754,1399 593.35,1400 383,1401 4.913}
{0 CHEMBL1391180,1 1.897,2 9.286,3 2.638,4 6.961,5 79.908,6 10.733,7 0.5,8 3.624,9 3.714,10 3.489,11 3.135,12 4.919,13 3.145,14 4.116,15 4.257,16 3.923,17 3.473,18 5.503,19 3.485,20 4.244,21 4.374,22 4.174,23 3.614,24 5.635,25 3.594,26 4.329,27 4.465,28 4.157,29 3.618,30 5.708,31 3.554,32 4.303,33 4.523,34 3.819,35 3.434,36 5.583,37 3.368,38 4.141,39 4.319,40 3.638,41 3.28,42 5.538,43 3.239,44 3.849,45 3.96,46 3.639,47 3.204,48 5.51,49 3.146,50 3.841,51 4.034,52 3.237,53 2.962,54 5.116,55 2.891,56 0.195,57 0.48,58 2.312,59 2.769,60 8.956,61 2.955,62 0.469,63 0.722,64 10.351,65 4.537,66 55.118,67 4.908,68 0.536,69 0.793,70 11.03,71 5.183,72 46.083,73 5.221,74 0.572,75 0.796,76 22.428,77 6.985,78 50.187,79 6.865,80 0.604,81 0.734,82 33.341,83 6.715,84 62.224,85 7.632,86 0.717,87 0.596,88 14.539,89 5.03,90 102.747,91 4.999,92 0.442,93 0.501,94 14.005,95 4.197,96 65.774,97 4.06,98 0.36,99 0.461,100 17.528,101 4.039,102 36.152,103 4.268,104 41,105 31,106 0.351,107 0.697,108 0.79,109 0.812,110 0.812,111 0.812,112 3.103,113 0.924,114 -4.31,115 -4.25,116 -4.01,119 1,120 39.4,121 1,125 1,126 1,143 4,144 1,145 1,148 1,154 1,158 1,162 1,167 2,174 4,176 3,177 6,185 4,188 4,189 7,197 2,200 2,201 8,209 1,213 1,214 7,222 2,226 2,227 3,235 4,239 3,240 6,247 4,252 6,263 1,264 6,274 544,275 13.646,276 13.646,277 13.646,278 13.646,279 13.646,280 11.799,281 14.912,282 7.788,283 14.129,284 10.708,285 10.708,286 10.708,287 10.708,288 10.708,289 7.895,290 16.872,291 3.551,292 11.467,293 3.148,294 1.273,295 0.773,296 0.652,297 0.652,298 0.652,299 3.753,305 1,306 1,307 1,308 397,309 3.317,312 64.795,313 74.243,320 1.442,321 31.128,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.25,333 195,334 4.585,335 3.845,336 6.745,337 4.1,338 3.198,339 4.348,340 2.612,341 10.873,342 2.921,343 4.185,344 3.631,345 6.05,346 3.81,347 2.807,348 3.767,349 1.38,350 8.648,351 2.759,352 3.87,353 3.186,354 5.749,355 3.37,356 2.421,357 3.371,358 0.86,359 7.414,360 2.291,361 3.684,362 2.822,363 5.28,364 3.232,365 2.283,366 3.037,368 6.682,369 2.156,370 3.05,371 2.297,372 4.771,373 2.551,374 1.681,375 2.209,377 4.704,378 1.471,379 2.905,380 1.996,381 4.246,382 2.403,383 1.441,384 1.983,386 3.765,387 1.267,388 2.622,389 1.679,390 3.864,391 2,392 1.033,393 1.572,395 2.661,396 1,397 2.5,398 1.101,399 3.414,400 1.999,401 1,402 1.5,404 2.275,405 0.99,406 1.648,407 1.059,408 2.942,409 1.359,410 0.489,411 0.548,413 0.781,414 0.418,415 1.379,416 1,417 2.615,418 0.992,419 0.139,420 0.161,422 0.313,423 0.092,424 1,425 1,426 2.331,427 0.404,428 -0.553,429 -0.68,431 -1.067,432 -0.466,433 0.813,434 0.242,435 2.137,436 0.187,437 -0.787,438 -0.969,440 -2,441 -0.591,442 0.544,443 -0.189,444 2,445 0.032,446 -0.82,447 -1.068,449 -2.022,450 -0.806,451 0.5,452 -0.349,453 1.69,455 -1,456 -1.5,458 -2.027,459 -1,460 0.463,461 -0.92,462 1.56,464 -1,465 -1.749,467 -3,468 -1,469 10.367,470 0.494,471 0.651,472 0.031,473 28.75,474 1.369,475 15,476 0.714,477 13.75,478 0.655,479 15.819,480 0.753,481 22.633,482 0.686,483 19.665,484 0.936,485 5.767,486 0.275,487 4.168,488 0.198,489 0.322,491 0.367,496 0.537,497 1.374,498 0.475,499 0.878,500 0.518,501 0.889,502 0.765,503 1.001,504 0.547,505 0.731,506 0.49,507 0.702,508 0.871,509 0.961,510 0.928,511 0.922,512 0.794,513 0.933,514 0.845,515 1.302,516 1.323,517 1.453,518 0.951,519 1.381,520 0.818,521 0.9,522 1.172,523 1.081,524 0.84,525 0.948,526 1.373,527 0.708,528 0.646,529 0.555,530 1.776,531 0.759,532 0.77,533 1.213,534 1.539,535 1.318,536 0.527,537 1.288,538 1.106,539 1.232,540 1.244,541 1.256,542 1.001,543 1.235,544 5,545 0.078,546 3.111,547 2.014,548 1.312,549 0.74,550 0.437,551 0.262,552 0.211,553 0.12,554 3917,555 16430,556 1.915,557 36.4,559 9,563 3,567 1.631,568 1.726,569 3.167,570 -0.61,572 1,574 1,575 62.585,576 1.897,577 3.772,578 4.271,579 4.393,580 4.393,581 4.393,582 2.684,583 3.88,584 4.362,585 3.315,586 696.165,587 7.471,588 7366.9,589 1,590 1,591 1,592 1,593 166.465,594 1.575,595 4.277,596 0.227,597 0.011,598 0.1,599 0.063,600 0.049,601 0.032,602 0.022,603 0.014,604 0.016,605 0.011,606 0.545,607 0.17,608 1,609 1.049,610 94.957,611 0.116,612 -0.183,613 0.006,614 -0.061,615 -0.014,616 -0.06,617 0.063,618 0.084,619 0.071,620 0.119,621 0.155,622 0.194,623 -0.009,624 0.138,625 0.028,626 0.033,627 -0.018,628 -0.042,629 0.026,630 -0.327,631 -0.063,632 -0.368,633 -0.047,634 -0.39,635 0.024,636 0.007,637 -0.023,638 -0.046,639 0.049,640 0.137,641 -0.196,642 0.178,643 0.032,644 0.329,645 -0.323,646 0.206,647 0.162,648 -0.193,649 -0.184,650 -0.208,651 0.361,652 -0.341,653 -0.192,654 -0.306,655 -0.138,656 -0.248,657 -0.097,658 -0.214,659 2.592,660 5.217,661 0.524,662 15.519,663 1.038,664 1.129,665 3.082,666 9.5,667 0.697,668 3.135,669 3.466,670 3.714,671 3.892,672 4.007,673 3.97,674 3.892,675 3.807,676 3.892,677 3.85,678 5.419,679 0.684,680 354.18,681 3.135,682 4.673,683 5.517,684 6.392,685 7.258,686 8.135,687 9.008,688 9.888,689 10.765,690 11.646,691 9.1,699 1,701 1,702 1,709 4,710 1,714 5,715 1,716 11,721 1,731 1,735 1,737 1,738 33,739 14,740 1,741 22,742 1,743 34,744 13,745 9,746 2,747 4,748 1,752 2,753 2,759 1,768 10,769 3,772 3,775 1,778 3,782 1,785 1,786 1,789 12,790 5,792 8,793 1,794 1,797 3,803 1,804 4,822 1,823 1,855 2,858 1,859 2,862 21,869 1,872 1,885 1,886 12.1,889 1,891 1,892 2,893 12.167,894 6.743,895 4.722,896 1.758,898 2.135,899 1.339,900 0.934,901 4.754,902 8.439,903 3.45,904 4.073,905 4.601,906 5.109,907 5.486,908 5.612,909 5.674,910 5.714,911 6.055,912 6.355,913 1,914 32,915 7.727,917 3.248,918 8.25,919 13.97,921 10.772,924 2.75,925 57.75,929 141.253,930 80.564,931 70.309,933 86.892,936 126.518,937 228.145,938 24.355,939 25.378,940 2.106,941 37.905,942 49.392,943 23.954,944 2.328,945 187.207,946 50.747,947 141.253,948 104.918,949 86.892,951 45.954,952 141.253,953 36.145,954 50.747,956 17.784,957 64.678,958 22.456,959 45.954,960 141.253,961 111.246,962 126.518,965 141.253,966 22.95,967 65.182,968 45.954,969 103.677,970 141.253,971 111.246,972 126.518,973 0.589,974 0.354,975 0.176,976 0.091,977 14,978 8,979 0.147,980 5,982 1,983 3.203,984 153.43,986 11,987 86.239,993 15.67,994 6.371,995 3.309,997 103.677,998 6.669,999 3.829,1003 1.443,1004 1.463,1006 379.017,1007 30.5,1010 -0.592,1013 33.846,1017 -0.172,1020 34.262,1021 37.25,1022 0.376,1023 0.748,1024 0.847,1025 0.871,1026 0.871,1027 0.871,1028 4.68,1029 1,1030 5.533,1031 2.661,1032 4.143,1033 4.758,1034 2.861,1035 6.361,1036 4.017,1037 5.922,1038 0.489,1039 7.122,1040 2.275,1041 3.892,1042 4.771,1043 2.361,1044 7.334,1045 3.692,1046 7.255,1047 0.139,1048 8.809,1049 0.781,1050 5.765,1051 7,1052 4.278,1053 10.403,1054 5.525,1055 8.625,1056 -0.553,1057 10.549,1058 0.313,1059 6.293,1060 7.791,1061 4.506,1062 12.17,1063 5.964,1064 10.023,1065 -0.787,1066 12.323,1067 -1.067,1068 7.69,1069 9.538,1070 5.985,1071 14.783,1072 7.322,1073 11.44,1074 -0.82,1075 14.121,1076 -2,1077 8.555,1078 10.671,1079 6.556,1080 16.888,1081 8.088,1082 12.874,1083 -1,1084 15.935,1085 -2.022,1086 9.78,1087 12.237,1088 7.805,1089 19.346,1090 9.263,1091 3.198,1092 -1,1093 17.763,1094 -2.027,1095 10.796,1096 13.531,1097 8.548,1098 21.602,1099 10.179,1100 2.807,1101 10.873,1102 19.602,1103 -3,1104 11.961,1105 15.026,1106 9.673,1107 24.007,1108 11.279,1109 2.421,1110 8.648,1111 21.451,1112 4.348,1113 13.046,1114 16.398,1115 10.509,1116 26.331,1117 12.265,1118 2.283,1119 7.414,1120 23.306,1121 3.767,1122 14.192,1123 17.866,1124 11.564,1125 28.718,1126 13.336,1127 1.681,1128 6.682,1129 25.169,1130 3.371,1131 15.31,1132 19.28,1133 12.452,1134 31.074,1135 14.356,1136 1.441,1137 4.704,1138 27.037,1139 3.037,1140 16.453,1141 20.74,1142 13.468,1143 33.457,1144 15.416,1145 1.033,1146 3.765,1147 28.909,1148 2.209,1149 17.588,1150 22.175,1151 14.386,1152 35.828,1153 16.454,1154 4065,1155 8477,1156 13.641,1157 22.994,1158 33.144,1159 35.475,1160 35.396,1161 32.992,1162 32.984,1163 44.994,1164 9.705,1165 96.231,1166 30.729,1167 5.425,1168 5.845,1169 6.296,1170 5.137,1171 5.198,1172 7.348,1173 4.612,1174 18.035,1175 4.921,1176 13.653,1177 1.507,1178 1.612,1179 1.609,1180 1.5,1181 1.499,1182 2.045,1183 0.441,1184 4.374,1185 1.397,1186 4.047,1187 4.089,1188 6.881,1189 3.892,1190 7.815,1191 3.904,1192 3.903,1193 3.924,1194 3.952,1195 3.773,1196 7.427,1197 3.789,1198 3.546,1199 3.576,1200 3.841,1201 3.213,1202 6.999,1203 3.258,1204 3.346,1205 3.382,1206 3.504,1207 3.034,1208 4.868,1209 3.082,1210 3.159,1211 3.239,1212 3.259,1213 2.902,1214 4.831,1215 2.895,1216 2.955,1217 3.014,1218 2.949,1219 2.735,1220 4.34,1221 2.726,1222 2.854,1223 2.925,1224 2.687,1225 2.727,1226 3.793,1227 2.715,1228 2.619,1229 2.689,1230 2.631,1231 2.469,1232 3.674,1233 2.442,1234 0.208,1235 0.175,1236 0.307,1237 0.186,1238 0.145,1239 4.585,1240 0.198,1241 3.845,1242 0.119,1243 6.745,1244 0.494,1245 4.1,1246 0.133,1247 3.198,1248 4.348,1249 2.612,1250 10.873,1251 2.921,1252 1.91,1253 1.891,1254 2.009,1255 2.017,1256 1.125,1257 2.013,1258 1.628,1259 1.582,1260 1.779,1261 1.938,1262 0.948,1263 1.83,1264 1.521,1265 1.479,1266 1.603,1267 1.83,1268 0.684,1269 1.802,1270 1.264,1271 1.222,1272 1.55,1273 1.547,1274 0.573,1275 1.553,1276 1.132,1277 1.049,1278 1.399,1279 1.429,1280 0.424,1281 1.45,1282 0.886,1283 0.821,1284 1.181,1285 1.094,1286 0.218,1287 1.107,1288 0.82,1289 0.784,1290 0.972,1291 1.062,1292 0.072,1293 1.059,1294 0.583,1295 0.542,1296 0.683,1297 0.893,1299 0.854,1300 3.807,1302 5.13,1303 2.398,1304 6.64,1305 4.844,1306 8.228,1307 7.002,1308 9.858,1309 3.113,1310 3.154,1315 -0.028,1318 5.026,1326 22.583,1327 62.585,1328 124.465,1329 140.955,1330 144.955,1331 144.955,1332 144.955,1333 49.165,1334 6.304,1335 89.94,1336 89.94,1337 11,1338 12.182,1339 3.907,1340 3.248,1341 39.355,1342 68,1343 75,1344 0.293,1345 148.474,1346 255.9,1347 354.037,1348 3638,1349 3,1350 15.569,1351 0.741,1352 0.617,1353 16.569,1354 12.955,1355 9.935,1356 0.452,1357 0.308,1358 5.888,1359 8.827,1360 5.657,1361 4.71,1362 10.512,1363 6.773,1364 9.046,1365 0.292,1366 0.162,1367 9.713,1368 5.02,1369 7.499,1370 0.187,1371 0.094,1372 8.356,1373 3.749,1374 5.768,1375 0.12,1376 0.051,1377 6.754,1378 2.45,1379 4.209,1380 0.078,1381 0.026,1382 4.717,1383 1.392,1384 0.454,1385 72.517,1386 0.271,1387 20.774,1388 0.815,1389 106,1390 434.532,1391 189.825,1392 442.667,1393 568.97,1394 406,1395 124,1396 381.618,1397 181.806,1398 390.54,1399 564.18,1400 362,1401 4.703}
{0 CHEMBL1391217,1 1.361,2 7.696,3 3.077,4 9.465,5 88.482,6 6.489,8 3.885,9 4.03,10 3.3,11 3.438,12 5.019,13 3.37,14 4.492,15 4.71,16 3.638,17 3.889,18 5.277,19 3.778,20 4.89,21 5.146,22 4,23 4.173,24 5.886,25 4.071,26 5.034,27 5.284,28 4.151,29 4.264,30 6.349,31 4.173,32 5.095,33 5.364,34 3.992,35 4.254,36 6.411,37 4.12,38 5.058,39 5.342,40 3.69,41 4.146,42 6.2,43 3.964,44 4.911,45 5.231,46 3.285,47 3.874,48 6.027,49 3.662,50 4.561,51 4.893,52 2.812,53 3.5,54 5.547,55 3.25,56 0.04,57 0.693,58 10.638,59 4.492,60 21.786,61 6.522,62 0.099,63 1.123,64 19.875,65 8.13,66 32.839,67 11.926,68 0.178,69 1.594,70 30.138,71 10.821,72 72.248,73 16.694,74 0.352,75 1.874,76 35.492,77 11.157,78 142.669,79 17.903,80 0.487,81 1.877,82 38.006,83 11.823,84 182.408,85 18.816,86 0.33,87 1.691,88 36.365,89 11.287,90 129.173,91 18.302,92 0.377,93 1.346,94 31.873,95 8.764,96 138.549,97 14.835,98 0.213,99 0.897,100 22.092,101 6.904,102 78.903,103 11.161,104 105,105 32,106 0.234,107 0.436,108 0.644,109 0.752,110 0.817,111 0.839,112 3.19,113 1.105,114 -2.08,115 -2.12,116 -2.11,120 37.5,121 3,122 5,123 2,124 2,126 1,128 1,159 4,174 10,177 4,182 3,185 10,189 6,194 4,197 8,200 2,201 8,204 2,206 3,209 9,213 4,214 8,217 2,219 1,222 8,227 10,232 1,235 8,240 6,247 6,252 4,260 4,264 2,271 2,274 691,275 15.863,276 15.863,277 15.863,278 15.863,279 15.863,280 15.496,281 12.925,282 9.101,283 15.946,284 10.752,285 10.752,286 10.752,287 10.752,288 10.752,289 9.905,290 13.27,291 3.516,292 10.904,293 4.224,294 3.05,295 1.844,296 1.219,297 0.839,298 0.714,299 3.823,305 1,306 1,307 1,308 336,309 4.301,312 73.133,320 1.04,321 32.4,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 48.5,333 177,334 5.104,335 4.995,336 8.834,337 5.013,338 4.018,339 4.203,340 3.164,341 18.416,342 3.999,343 3.984,344 4.347,345 6.886,346 3.649,347 2.662,348 2.978,349 3.164,350 10.54,351 2.629,352 3.668,353 3.893,354 6.367,355 3.536,356 2.545,357 2.632,358 1.684,359 9.127,360 2.519,361 3.303,362 3.893,363 4.761,364 2.697,365 1.725,366 1.821,367 1.684,368 4.107,369 1.676,370 3.303,371 3.39,372 4.159,373 2.469,374 1.476,375 1.565,376 0.4,377 3.183,378 1.465,379 3.033,380 2.71,381 3.682,382 2.118,383 1.149,384 1.303,386 2.301,387 1.111,388 2.825,389 2.587,390 3.588,391 1.697,392 0.706,393 1.303,395 1.112,396 0.698,397 2.638,398 1.892,399 3.414,400 1.547,401 0.618,402 1.199,404 0.854,405 0.572,406 2.261,407 1.524,408 3.414,409 1.547,410 0.618,411 0.792,413 0.828,414 0.572,415 1.95,416 1.246,417 3.208,418 1.518,419 0.546,420 0.606,422 0.828,423 0.529,424 1.568,425 0.693,426 2.918,427 1.067,428 0.136,429 0.249,431 0.164,432 0.126,433 1.316,434 0.616,435 2.554,436 0.774,437 -0.207,438 -0.212,440 -0.306,441 -0.202,442 0.795,443 0.187,444 2.464,445 0.648,446 -0.301,447 -0.425,449 -0.393,450 -0.286,451 0.352,452 0.187,453 1.831,454 0.232,455 -0.731,456 -0.9,458 -1.245,459 -0.704,460 0.037,461 -0.149,462 1.703,463 -0.01,464 -1,465 -1.098,467 -1.843,468 -0.99,469 11,470 0.478,471 0.417,472 0.018,473 25,474 1.087,475 12,476 0.522,477 13,478 0.565,479 25.989,480 1.13,481 25.6,482 0.533,483 18.434,484 0.801,485 3.513,486 0.153,487 7.57,488 0.329,489 0.282,490 0.091,491 0.136,496 0.679,497 1.306,498 0.958,499 1.233,500 0.394,501 1.143,502 0.584,503 1.058,504 0.897,505 1.086,506 0.361,507 1.035,508 0.65,509 1.075,510 0.698,511 0.909,512 0.52,513 0.824,514 0.917,515 1.218,516 0.868,517 1.033,518 0.85,519 0.959,520 1.099,521 1.001,522 1.097,523 1.047,524 1.053,525 1.068,526 1.247,527 1.138,528 1.224,529 1.172,530 1.393,531 1.192,532 1.583,533 0.848,534 1.254,535 0.933,536 1.728,537 1.038,538 1.054,539 0.883,540 1.084,541 0.99,542 1.198,543 1.032,544 5,546 4.667,547 4.181,548 2.395,549 0.993,550 0.382,551 0.228,552 0.074,553 0.02,554 3486,555 9058,556 1.814,557 52.1,558 18,559 3,562 1,564 3,567 1.674,568 1.643,569 2.769,570 -0.326,571 1,572 1,575 65.314,576 1.361,577 2.535,578 3.741,579 4.366,580 4.746,581 4.871,582 2.353,583 4.089,584 4.483,585 2.954,586 747.306,587 7.814,588 8181.15,590 1,592 1,593 268.078,594 1.721,595 4.387,596 0.217,598 0.146,599 0.091,600 0.047,601 0.024,602 0.014,603 0.013,604 0.007,605 0.005,606 0.565,607 0.33,608 1,609 1.941,610 103.117,611 -0.024,612 -0.035,614 -0.01,615 0.141,616 -0.003,617 0.007,618 0.038,619 0.046,620 0.055,621 0.018,622 0.055,623 0.126,624 -0.051,625 0.267,626 0.15,627 0.094,628 0.212,629 0.212,630 -0.142,631 0.135,632 -0.034,633 0.201,634 0.031,635 0.09,636 0.046,637 -0.094,638 -0.083,639 0.117,640 -0.104,641 -0.195,642 -0.152,643 -0.241,644 -0.21,645 -0.201,646 -0.227,647 -0.331,648 0.081,649 -0.252,650 -0.053,651 -0.31,652 -0.13,653 -0.125,654 -0.031,655 -0.119,656 -0.071,657 -0.141,658 -0.091,659 2.87,660 3.826,661 0.217,662 18.136,663 0.986,664 1.138,665 0.845,666 0.714,667 0.638,668 3.178,669 3.497,670 3.951,671 4.263,672 4.369,673 4.317,674 4.078,675 3.689,676 3.135,677 2.485,678 4.582,679 0.591,680 311.48,681 3.178,682 4.71,683 5.624,684 6.569,685 7.527,686 8.492,687 9.461,688 10.432,689 11.404,690 12.378,691 10.4,693 1,700 4,738 48,739 4,741 23,743 48,744 18,752 1,753 1,759 3,760 2,762 2,763 1,764 2,766 6,767 4,769 14,770 2,785 1,786 1,789 25,790 5,791 1,792 5,797 5,803 1,822 1,833 4,849 1,855 1,859 3,862 23,869 6,871 1,874 3,876 2,877 4,882 4,884 4,893 14,894 9.55,895 5.951,896 3.693,898 0.554,899 1.09,900 0.84,901 6.583,902 6.741,903 3.466,904 3.714,905 4.331,906 4.844,907 5.017,908 4.875,909 4.71,910 4.564,911 3.664,912 2.996,913 1,914 46,915 8.614,917 3.723,918 8.022,919 16.203,921 13.355,924 2.522,925 58,928 1,929 282.506,930 107.661,931 142.248,936 107.661,937 282.506,938 142.248,939 26.476,940 14.778,941 18.011,942 66.407,943 124.237,945 282.506,947 282.506,948 249.909,952 247.193,953 35.313,956 183.502,957 66.407,960 282.506,961 142.248,962 107.661,965 282.506,966 14.778,967 26.476,968 84.418,969 124.237,970 282.506,971 142.248,972 107.661,973 0.543,974 0.4,975 0.252,976 0.132,977 12,978 7,979 0.146,980 7,982 1,983 3.003,984 183.171,986 5,987 96.042,993 18.983,994 7.976,995 2.678,997 142.248,1005 18.011,1006 532.416,1007 31,1020 47.345,1021 54.644,1022 0.244,1023 0.454,1024 0.67,1025 0.782,1026 0.85,1027 0.872,1028 4.787,1029 0.618,1030 5.694,1031 1.112,1032 4.174,1033 4.394,1034 3.965,1035 6.792,1036 4.147,1037 6.016,1038 0.618,1039 7.458,1040 0.854,1041 4.205,1042 4.205,1044 8.7,1045 4.196,1046 7.378,1047 0.546,1048 9.367,1049 0.828,1050 6.107,1051 6.412,1052 6.073,1053 11.935,1054 6.072,1055 8.792,1056 0.136,1057 11.367,1058 0.828,1059 7.066,1060 7.252,1062 14.589,1063 7.041,1064 10.259,1065 -0.207,1066 13.423,1067 0.164,1068 8.543,1069 8.89,1070 8.32,1071 17.558,1072 8.506,1073 11.766,1074 -0.301,1075 15.515,1076 -0.306,1077 9.805,1078 10.121,1080 20.405,1081 9.771,1082 13.304,1083 -0.731,1084 17.629,1085 -0.393,1086 11.2,1087 11.6,1088 10.607,1089 23.328,1090 11.159,1091 4.018,1092 -1,1093 19.76,1094 -1.245,1095 12.551,1096 12.966,1098 26.224,1099 12.508,1100 2.662,1101 18.416,1102 21.903,1103 -1.843,1104 13.936,1105 14.408,1106 12.906,1107 29.139,1108 13.888,1109 2.545,1110 10.54,1111 24.054,1112 4.203,1113 15.314,1114 15.818,1116 32.047,1117 15.262,1118 1.725,1119 9.127,1120 26.212,1121 2.978,1122 16.7,1123 17.252,1124 15.209,1125 34.96,1126 16.645,1127 1.476,1128 4.107,1129 28.375,1130 2.632,1131 18.086,1132 18.679,1134 37.872,1135 18.026,1136 1.149,1137 3.183,1138 30.541,1139 1.821,1140 19.474,1141 20.112,1142 17.512,1143 40.786,1144 19.41,1145 0.706,1146 2.301,1147 32.71,1148 1.565,1149 20.863,1150 21.544,1152 43.698,1153 20.795,1154 3984,1155 6528,1156 13.693,1157 30.643,1158 37.621,1159 42.588,1160 41.246,1161 32.289,1162 32.397,1163 37.303,1164 20.192,1165 102.921,1166 31.796,1167 6.055,1168 6.906,1169 8.742,1170 6.005,1171 5.97,1172 6.506,1173 6.328,1174 28.024,1175 5.927,1176 15.344,1177 1.636,1178 1.852,1179 1.793,1180 1.404,1181 1.409,1182 1.622,1183 0.878,1184 4.475,1185 1.382,1186 4.043,1187 4.08,1188 3.991,1189 3.962,1190 6.866,1191 3.964,1192 3.677,1193 3.752,1194 3.509,1195 3.53,1196 6.833,1197 3.512,1198 3.57,1199 3.64,1200 3.433,1201 3.434,1202 6.782,1203 3.423,1204 3.494,1205 3.567,1206 3.338,1207 3.35,1208 6.782,1209 3.334,1210 3.332,1211 3.404,1212 3.253,1213 3.153,1214 4.386,1215 3.175,1216 3.22,1217 3.306,1218 3.027,1219 2.996,1220 4.171,1221 2.99,1222 3.03,1223 3.127,1224 2.915,1225 2.835,1226 4.056,1227 2.813,1228 2.912,1229 2.981,1230 2.915,1231 2.652,1232 3.942,1233 2.713,1234 0.222,1235 0.217,1236 0.384,1237 0.218,1238 0.175,1239 5.104,1240 0.183,1241 4.995,1242 0.138,1243 8.834,1244 0.801,1245 5.013,1246 0.174,1247 4.018,1248 4.203,1249 3.164,1250 18.416,1251 3.999,1252 1.832,1253 1.794,1254 2.032,1255 1.968,1256 1.429,1257 1.992,1258 1.793,1259 1.748,1260 1.978,1261 1.935,1262 1.274,1263 1.945,1264 1.657,1265 1.592,1266 1.884,1267 1.819,1268 1.175,1269 1.843,1270 1.527,1271 1.452,1272 1.764,1273 1.717,1274 0.979,1275 1.749,1276 1.309,1277 1.229,1278 1.617,1279 1.546,1280 0.79,1281 1.576,1282 1.184,1283 1.096,1284 1.507,1285 1.421,1286 0.698,1287 1.447,1288 1.006,1289 0.928,1290 1.256,1291 1.246,1292 0.391,1293 1.237,1294 0.842,1295 0.735,1296 1.104,1297 1.125,1298 0.229,1299 1.16,1300 3.85,1302 5.165,1303 2.398,1304 6.767,1305 5.13,1306 8.511,1307 7.554,1308 10.325,1310 6.084,1315 4.865,1317 3.341,1320 -0.721,1322 -3.193,1324 39.275,1325 8.349,1326 28.375,1327 65.314,1328 121.675,1329 179.575,1330 209.549,1331 227.814,1332 233.814,1333 118.526,1334 6.186,1335 107.19,1336 107.19,1337 5,1338 12.853,1339 2.322,1340 3.17,1341 61.278,1342 61,1343 86,1344 0.536,1345 186.591,1346 341.48,1347 447.043,1348 2424,1350 17.51,1351 0.761,1352 0.62,1353 17.51,1354 14.264,1355 11.083,1356 0.482,1357 0.368,1358 8.417,1359 10.85,1360 8.122,1361 6.882,1362 11.083,1363 8.468,1364 8.296,1365 0.259,1366 0.197,1367 8.296,1368 6.316,1369 8.158,1370 0.16,1371 0.103,1372 8.158,1373 5.261,1374 7.27,1375 0.104,1376 0.059,1377 7.27,1378 4.12,1379 5.259,1380 0.067,1381 0.038,1382 5.259,1383 2.93,1384 0.771,1385 68.365,1386 0.27,1387 21.518,1388 1.723,1389 110,1390 282.913,1391 114.496,1392 292.868,1393 379.32,1394 266,1395 138,1396 259.042,1397 143.495,1398 270.111,1399 393.22,1400 252,1401 4.953}
{0 CHEMBL1391630,1 1.69,2 13.871,3 2.261,4 5.113,5 114.593,6 7.879,7 0.5,8 4.122,9 4.231,10 3.73,11 3.554,12 5.303,13 3.583,14 4.64,15 4.792,16 4.066,17 3.905,18 5.767,19 3.928,20 4.8,21 4.965,22 4.16,23 4.02,24 5.997,25 4.025,26 4.853,27 5.035,28 4.074,29 4.04,30 6.052,31 4.004,32 4.897,33 5.118,34 3.889,35 3.986,36 5.942,37 3.918,38 4.797,39 5.037,40 3.844,41 3.855,42 5.871,43 3.793,44 4.714,45 4.954,46 3.791,47 3.732,48 5.835,49 3.702,50 4.589,51 4.811,52 3.735,53 3.666,54 5.777,55 3.636,56 0.184,57 0.804,58 10.488,59 4.651,60 13.728,61 5.626,62 0.563,63 1.192,64 21.122,65 7.342,66 34.787,67 9.164,68 0.807,69 1.379,70 25.258,71 8.464,72 53.478,73 10.941,74 0.731,75 1.452,76 26.498,77 9.041,78 64.167,79 12.139,80 0.836,81 1.42,82 30.467,83 8.916,84 68.146,85 12.623,86 0.71,87 1.271,88 27.945,89 8.06,90 54.557,91 12.052,92 0.764,93 1.129,94 26.749,95 6.95,96 65.582,97 10.252,98 0.707,99 1.049,100 22.467,101 6.086,102 62.447,103 8.998,104 21,105 47,106 0.279,107 0.617,108 0.758,109 0.83,110 0.848,111 0.86,112 3.471,113 0.857,114 -2.63,115 -2.65,116 -2.58,120 38.9,122 1,125 2,126 3,143 6,144 1,145 5,147 1,154 1,159 1,164 1,165 1,166 1,167 2,174 5,176 1,177 6,179 1,180 2,182 1,185 5,188 3,189 10,191 2,192 3,194 1,197 3,200 3,201 8,203 1,204 3,205 1,206 4,208 1,211 2,213 2,214 4,219 2,224 1,226 2,227 7,229 1,230 2,232 3,237 1,239 1,240 6,242 1,243 2,245 2,249 1,251 2,252 5,255 1,257 2,260 2,262 2,263 3,264 2,267 1,269 1,271 3,273 1,274 1698,275 21.309,276 21.309,277 21.309,278 21.309,279 21.309,280 19.157,281 30.415,282 12.447,283 22.083,284 16.62,285 16.62,286 16.62,287 16.62,288 16.62,289 13.127,290 33.702,291 5.679,292 17.66,293 4.065,294 2.02,295 1.167,296 0.732,297 0.621,298 0.546,299 4.168,306 1,307 1,308 933,309 3.536,312 91.379,313 297.522,317 154.125,320 2.214,321 35.233,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 69.5,333 430,334 4.545,335 3.607,336 6.734,337 4.139,338 3.182,339 4.259,340 1.058,341 10.861,342 3.043,343 4.264,344 3.283,345 6.207,346 3.854,347 2.9,348 3.909,349 0.86,350 9.254,351 2.768,352 4.237,353 3.208,354 6.165,355 3.833,356 2.885,357 3.847,358 0.86,359 9.124,360 2.736,361 3.804,362 3.031,363 5.939,364 3.461,365 2.499,366 3.132,367 0.86,368 8.211,369 2.384,370 3.558,371 2.589,372 5.253,373 3.241,374 2.268,375 2.864,376 0.86,377 6.643,378 2.193,379 3.242,380 2.275,381 4.954,382 2.837,383 1.87,384 2.447,386 5.304,387 1.796,388 2.923,389 2.177,390 4.427,391 2.53,392 1.618,393 2.061,395 4.366,396 1.469,397 2.919,398 2.169,399 4.366,400 2.521,401 1.61,402 2.057,404 4.127,405 1.461,406 2.573,407 1.819,408 4.119,409 2.347,410 1.429,411 1.59,413 3.325,414 1.3,415 2.563,416 1.525,417 3.793,418 2.178,419 1.228,420 1.573,422 2.928,423 1.162,424 2.427,425 1.265,426 3.606,427 2.109,428 1.138,429 1.417,431 2.753,432 1.102,433 2.205,434 1.19,435 3.346,436 1.846,437 0.871,438 1.096,440 2.051,441 0.839,442 1.885,443 1.103,444 3.163,445 1.58,446 0.679,447 0.795,449 1.52,450 0.605,451 1.864,452 0.965,453 3.015,454 1.53,455 0.618,456 0.747,458 1.207,459 0.557,460 1.469,461 0.936,462 2.735,463 1.206,464 0.351,465 0.381,467 0.477,468 0.297,469 14.167,470 0.457,471 0.657,472 0.021,473 40.75,474 1.315,475 20,476 0.645,477 20.75,478 0.669,479 24.096,480 0.777,481 34.433,482 0.638,483 32.858,484 1.06,485 8.529,486 0.275,487 6.572,488 0.212,489 0.122,491 0.346,496 0.859,497 1.271,498 0.733,499 1.192,500 0.743,501 0.969,502 1.212,503 1.079,504 0.838,505 0.933,506 0.801,507 0.825,508 1.019,509 1.066,510 0.909,511 0.992,512 0.871,513 0.937,514 0.906,515 1.195,516 1.088,517 1.222,518 1.038,519 1.21,520 1.102,521 1.081,522 1.184,523 1.024,524 1.33,525 1.103,526 0.786,527 1.082,528 0.95,529 1.035,530 0.871,531 1.023,532 1.081,533 0.925,534 0.923,535 0.793,536 1.49,537 0.804,538 0.902,539 1.085,540 0.952,541 0.919,542 1.246,543 0.924,544 5.5,545 0.148,546 4,547 2.097,548 1.829,549 1,550 0.543,551 0.403,552 0.337,553 0.236,554 14575,555 42971,556 2.084,557 42.6,559 18,562 3,564 2,567 1.731,568 1.958,569 3.739,570 0.94,571 1,572 1,575 91.264,576 1.69,577 3.735,578 4.588,579 5.023,580 5.134,581 5.208,582 3.228,583 4.825,584 4.926,585 3.921,586 1823.45,587 8.574,588 27213.6,590 1,592 1,593 310.764,594 1.383,595 4.888,596 0.162,597 0.006,598 0.085,599 0.042,600 0.042,601 0.028,602 0.016,603 0.012,604 0.011,605 0.008,606 0.411,607 0.33,608 1,609 0.796,610 164.38,611 -0.037,612 -0.031,613 0.06,614 -0.099,615 -0.07,616 -0.011,617 -0.127,618 -0.002,619 0.082,620 0.092,621 -0.026,622 0.125,623 0.036,624 0.007,625 0.022,626 0.011,627 0.079,628 0.009,629 0.008,630 -0.116,631 -0.171,632 -0.225,633 0.033,634 -0.251,635 -0.166,636 -0.084,637 -0.206,638 -0.065,639 -0.239,640 -0.134,641 0.053,642 -0.097,643 0.038,644 -0.087,645 0.071,646 -0.036,647 -0.059,648 0.027,649 0.11,650 0.123,651 -0.059,652 0.157,653 0.059,654 -0.076,655 0.041,656 0.012,657 0.064,658 0.029,659 2.068,660 5.56,661 0.677,662 34.656,663 1.02,664 1.135,665 1.396,666 1.95,667 0.651,668 3.555,669 3.871,670 4.174,671 4.407,672 4.575,673 4.635,674 4.727,675 4.812,676 4.927,677 4.956,678 8.037,679 0.637,680 425.49,681 3.555,682 5.094,683 5.953,684 6.828,685 7.699,686 8.579,687 9.455,688 10.337,689 11.216,690 12.1,691 9.3,695 1,698 1,699 1,701 2,709 6,710 2,714 8,715 1,716 17,723 1,728 1,735 4,738 54,739 18,740 2,741 34,743 57,744 21,745 14,746 6,747 6,748 1,752 4,753 5,766 1,768 15,769 6,772 1,778 1,782 1,786 1,789 23,790 9,791 3,792 10,797 5,803 0.75,804 5,822 1,823 3,827 1,855 3,859 2,862 31,863 1,869 4,871 1,872 4,883 1,886 9.3,889 1,891 4,893 15.833,894 10.267,895 7,896 2.973,898 3.092,899 1.394,900 0.971,901 6.604,902 10.937,903 3.795,904 4.385,905 4.983,906 5.524,907 5.966,908 6.228,909 6.529,910 6.818,911 7.142,912 7.361,913 1,914 50,915 11.42,917 4.814,918 7.839,919 21.405,921 17.003,924 2.339,925 72.5,929 235.422,930 129.154,931 85.888,933 69.144,936 129.154,937 304.567,938 85.888,939 21.766,940 31.836,941 89.755,942 63.053,943 77.777,945 235.422,947 235.422,948 215.042,949 69.144,952 211.88,953 92.687,956 38.697,957 143.141,958 33.203,960 235.422,961 155.032,962 129.154,965 235.422,966 50.53,967 80.4,968 18.011,969 135.245,970 235.422,971 155.032,972 129.154,973 0.576,974 0.356,975 0.192,976 0.096,977 22,978 10,979 0.123,980 7,981 1,982 1.095,983 4.309,984 271.935,985 0.095,986 21,987 153.58,993 21.428,994 9.554,995 4.61,997 153.256,998 10.911,999 7.965,1003 4.352,1004 1.39,1005 50.908,1006 519.608,1007 43.5,1013 12.56,1017 -0.401,1020 55.098,1021 61.275,1022 0.294,1023 0.649,1024 0.797,1025 0.873,1026 0.892,1027 0.905,1028 5.032,1029 1.61,1030 5.932,1031 4.366,1032 4.554,1033 5.072,1034 2.214,1035 6.749,1036 4.447,1037 6.231,1038 1.429,1039 7.498,1040 4.127,1041 4.111,1042 4.902,1044 7.676,1045 3.974,1046 7.542,1047 1.228,1048 9.165,1049 3.325,1050 6.155,1051 7.268,1052 2.065,1053 10.769,1054 5.959,1055 8.893,1056 1.138,1057 10.892,1058 2.928,1059 6.567,1060 7.943,1062 12.519,1063 6.33,1064 10.277,1065 0.871,1066 12.657,1067 2.753,1068 8.047,1069 9.765,1070 1.953,1071 15.121,1072 7.765,1073 11.685,1074 0.679,1075 14.448,1076 2.051,1077 8.844,1078 10.817,1080 17.2,1081 8.512,1082 13.109,1083 0.618,1084 16.256,1085 1.52,1086 10.103,1087 12.418,1088 1.878,1089 19.639,1090 9.731,1091 3.182,1092 0.351,1093 18.078,1094 1.207,1095 11.076,1096 13.65,1098 21.862,1099 10.652,1100 2.9,1101 10.861,1102 19.911,1103 0.477,1104 12.247,1105 15.154,1106 1.84,1107 24.244,1108 11.783,1109 2.885,1110 9.254,1111 21.751,1112 4.259,1113 13.301,1114 16.476,1116 26.536,1117 12.787,1118 2.499,1119 9.124,1120 23.598,1121 3.909,1122 14.44,1123 17.935,1124 1.834,1125 28.9,1126 13.884,1127 2.268,1128 8.211,1129 25.45,1130 3.847,1131 15.533,1132 19.304,1134 31.229,1135 14.928,1136 1.87,1137 6.643,1138 27.307,1139 3.132,1140 16.662,1141 20.743,1142 1.855,1143 33.591,1144 16.015,1145 1.618,1146 5.304,1147 29.168,1148 2.864,1149 17.774,1150 22.138,1152 35.939,1153 17.08,1154 13813,1155 23895,1156 22.77,1157 35.154,1158 50.57,1159 52.291,1160 52.766,1161 50.188,1162 50.289,1163 64.352,1164 8.997,1165 144.301,1166 47.425,1167 5.489,1168 5.607,1169 6.421,1170 5.279,1171 5.182,1172 7.259,1173 2.117,1174 18.215,1175 5.043,1176 14.936,1177 1.487,1178 1.538,1179 1.552,1180 1.476,1181 1.479,1182 1.893,1183 0.265,1184 4.244,1185 1.395,1186 4.042,1187 4.085,1188 4.015,1189 3.897,1190 7.429,1191 3.915,1192 3.938,1193 3.958,1194 3.885,1195 3.85,1196 5.229,1197 3.856,1198 3.802,1199 3.832,1200 3.767,1201 3.592,1202 4.94,1203 3.635,1204 3.531,1205 3.593,1206 3.425,1207 3.306,1208 4.92,1209 3.321,1210 3.409,1211 3.463,1212 3.272,1213 3.224,1214 4.736,1215 3.227,1216 3.247,1217 3.314,1218 3.113,1219 2.964,1220 4.496,1221 2.985,1222 3.239,1223 3.305,1224 3.051,1225 2.945,1226 4.342,1227 2.957,1228 3.036,1229 3.094,1230 2.872,1231 2.799,1232 4.281,1233 2.812,1234 0.134,1235 0.106,1236 0.198,1237 0.122,1238 0.094,1239 4.545,1240 0.125,1241 3.607,1242 0.031,1243 6.734,1244 0.319,1245 4.139,1246 0.09,1247 3.182,1248 4.259,1249 1.058,1250 10.861,1251 3.043,1252 1.912,1253 1.892,1254 2.025,1255 2.047,1256 1.231,1257 2.028,1258 1.903,1259 1.885,1260 1.988,1261 2.019,1262 1.12,1263 2.019,1264 1.586,1265 1.547,1266 1.74,1267 1.823,1268 0.933,1269 1.793,1270 1.45,1271 1.395,1272 1.691,1273 1.723,1274 0.889,1275 1.704,1276 1.362,1277 1.312,1278 1.576,1279 1.589,1280 0.589,1281 1.588,1282 1.192,1283 1.116,1284 1.568,1285 1.523,1286 0.574,1287 1.539,1288 1.172,1289 1.092,1290 1.503,1291 1.478,1292 0.555,1293 1.487,1294 1.079,1295 1,1296 1.226,1297 1.399,1298 0.25,1299 1.366,1300 4.234,1302 5.549,1303 2.398,1304 7.067,1305 4.727,1306 8.675,1307 6.823,1308 10.328,1310 3.164,1313 6.14,1315 1.968,1317 2.818,1318 21.634,1326 34.422,1327 91.264,1328 201.687,1329 247.744,1330 271.254,1331 277.254,1332 281.254,1333 55.699,1334 7.845,1335 122.75,1336 122.75,1337 23,1338 12.634,1339 4.248,1340 3.392,1341 49.799,1342 150,1343 144,1344 0.159,1345 210.242,1346 364.91,1347 504.751,1348 31387,1350 21.794,1351 0.703,1352 0.557,1353 21.794,1354 17.253,1355 15.101,1356 0.444,1357 0.286,1358 9.464,1359 14.146,1360 9.265,1361 7.669,1362 15.101,1363 9.707,1364 13.066,1365 0.278,1366 0.144,1367 13.066,1368 6.758,1369 11.67,1370 0.182,1371 0.076,1372 11.67,1373 4.838,1374 9.661,1375 0.119,1376 0.04,1377 9.661,1378 3.246,1379 7.271,1380 0.076,1381 0.022,1382 7.271,1383 2.093,1384 0.257,1385 97.418,1386 0.21,1387 29.713,1388 0.413,1389 162,1390 569.258,1391 186.105,1392 526.88,1393 719.46,1394 496,1395 192,1396 533.687,1397 218.298,1398 530.254,1399 775.59,1400 496,1401 6.357}
{0 CHEMBL1391931,1 1.476,2 11.759,3 4.402,4 19.374,5 114.602,6 7.414,7 0.667,8 4.067,9 4.189,10 3.653,11 3.636,12 5.153,13 3.61,14 4.593,15 4.768,16 3.99,17 4.046,18 5.557,19 3.998,20 4.816,21 5.034,22 3.961,23 4.154,24 5.68,25 4.057,26 4.914,27 5.147,28 3.988,29 4.164,30 5.806,31 4.067,32 4.909,33 5.142,34 3.964,35 4.163,36 5.792,37 4.065,38 4.922,39 5.176,40 3.778,41 4.073,42 5.758,43 3.944,44 4.74,45 5.025,46 3.714,47 3.895,48 5.571,49 3.784,50 4.528,51 4.739,52 3.734,53 3.818,54 5.535,55 3.741,56 0.154,57 0.796,58 10.709,59 4.635,60 13.773,61 6.222,62 0.13,63 1.308,64 19.565,65 7.738,66 16.331,67 10.687,68 0.179,69 1.537,70 26.1,71 10.25,72 23.298,73 14.465,74 0.407,75 1.659,76 30.175,77 10.665,78 34.584,79 15.045,80 0.265,81 1.645,82 29.798,83 10.556,84 32.494,85 14.982,86 0.346,87 1.604,88 31.5,89 10.606,90 37.095,91 15.149,92 0.282,93 1.339,94 27.014,95 9.184,96 30.775,97 13.583,98 0.269,99 1.15,100 19.731,101 7.256,102 27.717,103 10.231,104 2,105 46,106 0.243,107 0.573,108 0.719,109 0.803,110 0.849,111 0.849,112 3.408,113 0.91,114 -4.65,115 -4.57,116 -4.3,120 44.2,121 1,122 2,126 2,128 1,143 9,144 4,147 3,152 1,167 2,170 1,174 14,176 1,177 6,182 1,185 17,188 1,189 5,194 1,197 16,200 3,201 7,204 1,206 2,209 15,214 6,219 2,222 10,227 7,232 3,235 8,239 1,240 4,243 1,245 1,247 7,251 2,252 8,255 2,257 3,260 7,264 9,269 2,271 5,274 1363,275 20.275,276 20.275,277 20.275,278 20.275,279 20.275,280 17.655,281 14.176,282 12.05,283 20.509,284 16.318,285 16.318,286 16.318,287 16.318,288 16.318,289 12.54,290 19.852,291 5.691,292 16.697,293 4.225,294 2.222,295 1.337,296 0.827,297 0.553,298 0.553,299 4.12,306 1,307 1,308 765,309 2.345,312 231.573,313 183.698,320 1.99,321 14.233,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 61.5,333 341,334 4.423,335 3.448,336 6.679,337 4.109,338 3.146,339 4.094,340 0.995,341 10.768,342 3.039,343 4.328,344 3.112,345 6.505,346 4.001,347 3.02,348 3.89,349 0.359,350 10.188,351 2.954,352 4.185,353 2.845,354 6.134,355 3.814,356 2.818,357 3.795,359 9.024,360 2.805,361 3.701,362 2.684,363 5.706,364 3.435,365 2.484,366 3.137,368 7.57,369 2.361,370 3.559,371 2.247,372 5.215,373 3.147,374 2.157,375 2.736,377 6.252,378 2.134,379 3.227,380 1.852,381 4.524,382 2.791,383 1.794,384 2.524,386 4.594,387 1.788,388 2.746,389 1.717,390 4.424,391 2.44,392 1.484,393 1.814,395 4.103,396 1.415,397 2.659,398 1.405,399 3.933,400 2.251,401 1.276,402 1.728,404 3.087,405 1.243,406 2.568,407 1.228,408 3.663,409 2.172,410 1.183,411 1.593,413 2.718,414 1.168,415 2.531,416 1.187,417 3.497,418 2.115,419 1.125,420 1.541,422 2.495,423 1.113,424 2.5,425 1.099,426 3.438,427 2,428 1,429 1.5,431 2.373,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.301,443 1,444 3.396,445 1.972,446 1,447 1.206,449 2.136,450 0.969,451 2.135,452 0.814,453 3.329,454 1.772,455 0.813,456 1.11,458 2.086,459 0.777,460 1.826,461 0.679,462 3.247,463 1.579,464 0.618,465 0.73,467 1.609,468 0.592,469 13.833,470 0.477,471 0.551,472 0.019,473 38.75,474 1.336,475 20,476 0.69,477 18.75,478 0.647,479 23.553,480 0.812,481 29.967,482 0.576,483 26.931,484 0.929,485 7.669,486 0.264,487 6.624,488 0.228,489 0.036,491 0.318,496 0.521,497 1.075,498 0.759,499 0.969,500 0.569,501 0.908,502 0.847,503 1.126,504 0.878,505 0.999,506 0.707,507 0.945,508 0.732,509 1.074,510 0.986,511 1.091,512 0.739,513 1.07,514 1.079,515 0.935,516 1.051,517 0.963,518 1.13,519 0.999,520 1.147,521 1.049,522 1.075,523 1.028,524 1.224,525 1.035,526 1.363,527 1.045,528 1.192,529 1.037,530 1.344,531 1.088,532 0.761,533 0.781,534 0.756,535 0.744,536 0.737,537 0.741,538 0.805,539 1.144,540 0.965,541 1.109,542 0.868,543 1.069,544 4,545 0.095,546 3.556,547 1.563,548 0.813,549 0.723,550 0.527,551 0.334,552 0.207,553 0.131,554 12090,555 28660,556 2.215,557 44.2,559 14,560 1,562 1,563 3,564 4,567 1.718,568 2.148,569 3.509,570 -0.371,572 1,575 76.729,576 1.476,577 3.479,578 4.363,579 4.873,580 5.147,581 5.147,582 2.928,583 4.211,584 4.829,585 3.702,586 1503.05,587 8.401,588 20466,590 1,592 1,593 296.423,594 1.091,595 4.82,596 0.121,597 0.005,598 0.077,599 0.036,600 0.019,601 0.017,602 0.016,603 0.01,604 0.006,605 0.005,606 0.313,607 0.17,608 0.88,609 0.335,610 148.019,611 0.378,612 0.07,613 0.089,614 0.037,615 0.269,616 0.026,617 -0.019,618 -0.032,619 0.016,620 -0.011,621 0.061,622 0.005,623 -0.006,624 -0.064,625 -0.057,626 -0.09,627 0.026,628 -0.08,629 0.011,630 0.073,631 -0.068,632 0.002,633 -0.103,634 -0.039,635 -0.142,636 -0.045,637 -0.101,638 -0.058,639 -0.229,640 -0.069,641 -0.217,642 -0.079,643 -0.182,644 -0.077,645 -0.272,646 -0.119,647 0.104,648 0.163,649 0.267,650 0.226,651 0.214,652 0.262,653 0.263,654 -0.117,655 -0.005,656 -0.139,657 0.224,658 -0.115,659 1.079,660 1.538,661 0.931,662 29.034,663 0.996,664 1.124,665 3.418,666 11.684,667 0.68,668 3.526,669 3.85,670 4.174,671 4.454,672 4.564,673 4.663,674 4.844,675 4.942,676 5.03,677 5.118,678 6.987,679 0.645,680 385.51,681 3.526,682 5.069,683 5.938,684 6.819,685 7.699,686 8.585,687 9.47,688 10.358,689 11.245,690 12.134,691 9.6,694 1,699 1,701 3,709 10,710 3,711 1,712 1,714 7,716 22,738 52,739 22,740 2,741 33,743 56,744 23,745 17,746 3,747 9,752 5,753 5,759 1,763 3,766 3,768 17,769 6,786 1,789 23,790 5,791 1,792 6,797 5,803 1,804 1,814 1,819 1,822 3,823 2,851 1,855 5,859 1,862 29,869 4,874 1,875 1,886 1.9,891 1,893 13.5,894 9.633,895 6.333,896 3.242,898 3.97,899 1.494,900 1.02,901 4.906,902 12.012,903 3.807,904 4.401,905 5.002,906 5.573,907 5.932,908 6.195,909 6.668,910 7.044,911 7.409,912 7.753,913 0.875,914 43,915 10.674,917 4.547,918 7.5,919 20.938,921 17.664,924 2,925 58,927 1,928 1,929 258.964,930 133.452,931 75.644,933 9.961,936 133.452,937 268.925,938 75.644,939 8.825,940 9.28,941 94.334,942 55.856,943 50.761,944 11.771,945 247.193,947 258.964,948 209.095,949 9.961,952 211.88,953 57.045,956 46.163,957 107.076,958 55.856,960 258.964,961 85.604,962 133.452,965 258.964,966 30.293,967 106.283,968 16.663,969 65.817,970 258.964,971 85.604,972 133.452,973 0.578,974 0.351,975 0.198,976 0.093,977 24,978 9,979 0.089,980 5,982 1,983 4.202,984 263.01,986 27,987 132.881,993 18.141,994 7.842,995 3.585,997 68.941,998 21.038,999 12.643,1000 3.055,1001 4.937,1003 7.586,1005 16.663,1006 478.021,1007 44,1020 51.789,1021 58.438,1022 0.259,1023 0.61,1024 0.765,1025 0.855,1026 0.903,1027 0.903,1028 5.034,1029 1.276,1030 5.905,1031 4.103,1032 4.533,1033 5.088,1034 1.114,1035 6.725,1036 4.487,1037 6.221,1038 1.183,1039 7.463,1040 3.087,1041 4.007,1042 4.677,1043 0.325,1044 7.644,1045 3.931,1046 7.513,1047 1.125,1048 9.127,1049 2.718,1050 6.125,1051 7.238,1052 0.897,1053 10.773,1054 6.031,1055 8.845,1056 1,1057 10.856,1058 2.495,1059 6.524,1060 7.754,1061 0.504,1062 12.566,1063 6.394,1064 10.213,1065 1,1066 12.627,1067 2.373,1068 8.027,1069 9.677,1070 0.792,1071 15.174,1072 7.883,1073 11.606,1074 1,1075 14.427,1076 2.275,1077 8.825,1078 10.617,1079 0.585,1080 17.292,1081 8.645,1082 13.017,1083 0.813,1084 16.246,1085 2.136,1086 10.092,1087 12.263,1088 0.735,1089 19.731,1090 9.895,1091 3.146,1092 0.618,1093 18.078,1094 2.086,1095 11.067,1096 13.414,1097 0.622,1098 21.98,1099 10.835,1100 3.02,1101 10.768,1102 19.921,1103 1.609,1104 12.241,1105 14.929,1106 0.703,1107 24.361,1108 11.988,1109 2.818,1110 10.188,1111 21.77,1112 4.094,1113 13.295,1114 16.188,1115 0.639,1116 26.666,1117 13.009,1118 2.484,1119 9.024,1120 23.625,1121 3.89,1122 14.434,1123 17.639,1124 0.683,1125 29.028,1126 14.122,1127 2.157,1128 7.57,1129 25.485,1130 3.795,1131 15.524,1132 18.955,1133 0.646,1134 31.359,1135 15.18,1136 1.794,1137 6.252,1138 27.349,1139 3.137,1140 16.65,1141 20.374,1142 0.67,1143 33.715,1144 16.278,1145 1.484,1146 4.594,1147 29.215,1148 2.736,1149 17.757,1150 21.722,1151 0.648,1152 36.059,1153 17.354,1154 11049,1155 17171,1156 23.057,1157 35.336,1158 50.374,1159 49.691,1160 50.567,1161 49.832,1162 49.835,1163 65.8,1164 2.707,1165 142.555,1166 48.717,1167 5.364,1168 5.448,1169 6.481,1170 5.159,1171 5.146,1172 7.094,1173 1.754,1174 17.933,1175 5.039,1176 7.156,1177 1.526,1178 1.506,1179 1.532,1180 1.51,1181 1.51,1182 1.994,1183 0.082,1184 4.32,1185 1.476,1186 4.068,1187 4.108,1188 4.019,1189 3.991,1190 5.349,1191 3.991,1192 3.95,1193 3.989,1194 3.893,1195 3.818,1196 5.021,1197 3.828,1198 3.87,1199 3.914,1200 3.819,1201 3.741,1202 4.804,1203 3.75,1204 3.685,1205 3.73,1206 3.604,1207 3.554,1208 4.56,1209 3.562,1210 3.626,1211 3.685,1212 3.528,1213 3.421,1214 4.301,1215 3.437,1216 3.051,1217 3.157,1218 2.868,1219 2.876,1220 3.915,1221 2.867,1222 3.002,1223 3.102,1224 2.852,1225 2.77,1226 3.718,1227 2.779,1228 2.941,1229 2.985,1230 2.758,1231 2.746,1232 3.674,1233 2.727,1234 0.134,1235 0.104,1236 0.202,1237 0.125,1238 0.095,1239 4.423,1240 0.124,1241 3.448,1242 0.03,1243 6.679,1244 0.326,1245 4.109,1246 0.092,1247 3.146,1248 4.094,1249 0.995,1250 10.768,1251 3.039,1252 1.997,1253 1.976,1254 2.092,1255 2.056,1256 1.237,1257 2.069,1258 1.794,1259 1.765,1260 1.917,1261 1.896,1262 1.215,1263 1.903,1264 1.695,1265 1.648,1266 1.875,1267 1.839,1268 1.136,1269 1.848,1270 1.601,1271 1.542,1272 1.82,1273 1.778,1274 0.976,1275 1.803,1276 1.456,1277 1.396,1278 1.692,1279 1.67,1280 0.831,1281 1.669,1282 1.275,1283 1.191,1284 1.52,1285 1.606,1286 0.698,1287 1.58,1288 1.213,1289 1.141,1290 1.359,1291 1.46,1292 0.337,1293 1.428,1294 0.898,1295 0.839,1296 1.181,1297 1.303,1298 0.293,1299 1.199,1300 4.205,1302 5.525,1303 3.434,1304 7.034,1305 5.687,1306 8.627,1307 7.67,1308 10.264,1310 1.958,1315 4.085,1320 0.254,1321 2.444,1326 33.563,1327 76.729,1328 180.9,1329 226.874,1330 253.403,1331 267.668,1332 267.668,1333 35.506,1334 8.041,1335 70.84,1336 70.84,1337 27,1338 12.664,1339 4.524,1340 3.585,1341 39.706,1342 121,1343 124,1344 0.158,1345 203.121,1346 338.45,1347 487.375,1348 39917,1350 19.631,1351 0.677,1352 0.565,1353 19.631,1354 16.376,1355 14.293,1356 0.433,1357 0.303,1358 9.897,1359 13.795,1360 9.665,1361 8.013,1362 14.293,1363 10.01,1364 12.59,1365 0.274,1366 0.164,1367 12.59,1368 7.566,1369 11.258,1370 0.176,1371 0.089,1372 11.258,1373 5.725,1374 9.75,1375 0.115,1376 0.05,1377 9.75,1378 4.221,1379 7.036,1380 0.074,1381 0.028,1382 7.036,1383 2.635,1384 0.25,1385 89.194,1386 0.208,1387 27.695,1388 0.427,1389 158,1390 408.649,1391 169.898,1392 403.19,1393 571.25,1394 380,1395 189,1396 451.408,1397 203.284,1398 453.392,1399 655.6,1400 427,1401 4.453}
{0 CHEMBL1392142,1 1.6,2 10.962,3 4.015,4 16.119,5 102.116,6 8.21,7 0.571,8 3.901,9 3.988,10 3.587,11 3.511,12 5.083,13 3.47,14 4.399,15 4.536,16 3.948,17 3.87,18 5.571,19 3.815,20 4.572,21 4.717,22 3.927,23 3.917,24 5.802,25 3.862,26 4.701,27 4.863,28 3.932,29 3.928,30 6.011,31 3.854,32 4.716,33 4.926,34 3.905,35 3.907,36 5.927,37 3.804,38 4.625,39 4.815,40 3.697,41 3.862,42 5.751,43 3.739,44 4.547,45 4.763,46 3.664,47 3.687,48 5.787,49 3.59,50 4.306,51 4.494,52 3.546,53 3.509,54 5.565,55 3.455,56 0.056,57 0.581,58 8.346,59 4.474,60 10.504,61 5.036,62 0.256,63 0.958,64 17.163,65 7.458,66 27.271,67 8.544,68 0.351,69 1.133,70 22.638,71 8.539,72 39.267,73 9.611,74 0.529,75 1.193,76 23.027,77 9.594,78 77.812,79 11.236,80 0.602,81 1.214,82 28.126,83 10.329,84 94.09,85 12.029,86 0.425,87 1.128,88 30.057,89 10.622,90 63.573,91 11.543,92 0.476,93 1.004,94 23.458,95 8.695,96 64.921,97 10.621,98 0.298,99 0.797,100 19.475,101 6.892,102 51.873,103 7.77,104 26,105 39,106 0.274,107 0.618,108 0.777,109 0.86,110 0.89,111 0.89,112 3.304,113 0.967,114 -4.26,115 -4.2,116 -3.97,120 44.4,121 2,126 2,143 7,144 2,145 1,152 1,153 3,158 1,159 1,174 6,176 1,177 7,182 2,185 8,188 1,189 6,194 2,197 4,200 1,201 7,204 2,206 1,209 1,213 2,214 6,222 9,227 3,235 6,239 1,240 6,243 1,245 1,247 4,252 6,257 1,260 5,264 3,267 1,269 1,271 4,274 1016,275 17.259,276 17.259,277 17.259,278 17.259,279 17.259,280 14.923,281 17.054,282 10.126,283 17.681,284 13.757,285 13.757,286 13.757,287 13.757,288 13.757,289 10.263,290 19.339,291 4.767,292 14.41,293 3.892,294 1.886,295 0.959,296 0.478,297 0.3,298 0.3,299 3.977,305 1,306 1,307 1,308 606,309 3.536,312 161.756,313 100.307,320 1.737,321 31.892,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56.5,333 285,334 4.564,335 3.743,336 6.758,337 4.172,338 3.204,339 4.281,340 1.797,341 10.936,342 3.111,343 4.31,344 3.613,345 6.386,346 3.934,347 2.951,348 3.916,349 1.338,350 9.621,351 2.89,352 3.938,353 3.182,354 5.883,355 3.532,356 2.583,357 3.478,358 0.522,359 8.008,360 2.455,361 3.712,362 2.702,363 5.306,364 3.288,365 2.343,366 3.024,368 6.742,369 2.176,370 3.403,371 2.654,372 4.922,373 2.976,374 2.012,375 2.644,377 5.365,378 1.921,379 3.027,380 2.094,381 4.804,382 2.678,383 1.692,384 2.173,386 4.744,387 1.663,388 2.862,389 1.729,390 4.279,391 2.393,392 1.414,393 2.017,395 3.752,396 1.378,397 2.768,398 1.656,399 3.82,400 2.367,401 1.403,402 1.829,404 3.068,405 1.341,406 2.582,407 1.542,408 3.578,409 2.115,410 1.157,411 1.589,413 2.706,414 1.097,415 2.493,416 1.311,417 3.472,418 1.989,419 1,420 1.444,422 2.453,423 0.976,424 2.118,425 1.25,426 3.005,427 1.464,428 0.618,429 0.927,431 1.372,432 0.507,433 1.695,434 0.638,435 3,436 1.325,437 0.371,438 0.439,440 0.851,441 0.346,442 1.358,443 0.618,444 2.739,445 1.101,446 0.121,447 0.145,449 0.286,450 0.117,451 1.092,452 0.389,453 2.369,454 0.683,455 -0.276,456 -0.351,458 -0.59,459 -0.258,460 0.635,461 0.136,462 2.218,463 0.256,464 -0.706,465 -0.836,467 -1.842,468 -0.672,469 12.567,470 0.483,471 0.703,472 0.027,473 33.5,474 1.288,475 17.5,476 0.673,477 16,478 0.615,479 21.249,480 0.817,481 27.633,482 0.614,483 25.002,484 0.962,485 6.837,486 0.263,487 5.633,488 0.217,489 0.159,491 0.35,496 0.75,497 1.111,498 0.729,499 0.926,500 0.666,501 0.888,502 0.756,503 1.044,504 0.83,505 0.91,506 0.564,507 0.847,508 1.015,509 1.205,510 1.18,511 1.219,512 0.933,513 1.107,514 1.032,515 1.202,516 0.905,517 1.073,518 1.088,519 1.181,520 1.158,521 0.736,522 0.867,523 0.74,524 1.07,525 0.82,526 1.244,527 1.022,528 1.465,529 1.225,530 1.217,531 1.074,532 0.936,533 0.918,534 0.757,535 0.879,536 0.919,537 0.933,538 1.263,539 0.976,540 0.941,541 0.977,542 1.545,543 0.859,544 5,545 0.103,546 3.556,547 2.611,548 1.387,549 0.733,550 0.594,551 0.357,552 0.248,553 0.209,554 8148,555 24595,556 2.014,557 42.2,559 11,560 1,562 1,563 6,567 1.689,568 1.857,569 3.413,570 -0.332,572 1,575 71.984,576 1.6,577 3.606,578 4.533,579 5.014,580 5.192,581 5.192,582 2.907,583 4.239,584 4.673,585 3.608,586 1172.67,587 8.087,588 14936,590 1,592 1,593 247.133,594 1.502,595 4.615,596 0.179,597 0.006,598 0.091,599 0.069,600 0.04,601 0.022,602 0.02,603 0.014,604 0.01,605 0.01,606 0.46,607 0.17,608 1,609 0.638,610 128.373,611 -0.054,612 -0.061,613 0.048,614 0.031,615 -0.082,616 0.025,617 0.064,618 0.012,619 0.087,620 0.074,621 0.053,622 0.091,623 -0.03,624 -0.142,625 -0.218,626 -0.241,627 -0.006,628 -0.188,629 0.104,630 -0.245,631 -0.09,632 -0.203,633 0.07,634 -0.261,635 -0.013,636 0.226,637 0.124,638 0.212,639 0.043,640 0.157,641 -0.184,642 -0.045,643 -0.262,644 -0.105,645 -0.136,646 -0.063,647 0.119,648 0.001,649 0.145,650 0.026,651 0.13,652 0.055,653 -0.095,654 -0.024,655 0.056,656 -0.007,657 -0.11,658 0.111,659 2.385,660 5.504,661 0.615,662 24.154,663 1.01,664 1.111,665 3.031,666 9.184,667 0.696,668 3.367,669 3.689,670 3.951,671 4.159,672 4.205,673 4.174,674 4.234,675 4.277,676 4.263,677 4.277,678 6.594,679 0.662,680 369.47,681 3.367,682 4.905,683 5.753,684 6.624,685 7.487,686 8.362,687 9.232,688 10.109,689 10.982,690 11.861,691 2.2,699 1,709 8,713 1,714 6,715 1,716 16,721 1,726 1,734 1,738 45,739 18,740 1,741 28,743 47,744 20,745 14,746 2,747 4,748 2,752 3,753 3,759 2,768 16,769 4,772 2,778 2,782 2,786 1,789 19,790 4,791 1,792 6,793 1,797 1,803 1,804 4,818 1,822 2,823 1,855 3,857 1,859 2,862 26,868 1,869 2,872 1,880 1,886 8.9,888 1,889 2,891 1,893 14,894 8.733,895 5.75,896 2.528,898 2.543,899 1.369,900 0.953,901 5.694,902 9.437,903 3.664,904 4.263,905 4.816,906 5.323,907 5.562,908 5.659,909 5.897,910 6.135,911 6.321,912 6.534,913 1,914 38,915 9.66,917 4.121,918 7.949,919 18.045,921 14.518,924 2.449,925 63.667,928 1,929 211.88,930 155.177,931 1.899,933 103.973,935 31.278,936 123.899,937 315.853,938 1.899,939 17.65,940 6.698,941 73.983,942 105.298,943 19.27,944 18.643,945 231.386,947 211.88,948 125.798,949 103.973,950 31.278,952 211.88,953 103.973,956 26.248,957 99.551,959 31.278,960 211.88,961 105.872,962 155.177,965 211.88,966 63.544,967 93.532,969 103.973,970 211.88,971 105.872,972 155.177,973 0.585,974 0.351,975 0.184,976 0.085,977 18,978 9,979 0.149,980 7,982 1,983 3.789,984 210.04,986 16,987 122.211,989 1,993 18.554,994 7.979,995 4.137,997 103.973,998 13.979,1002 1.667,1003 3.453,1004 2.073,1005 42.683,1006 472.929,1007 38,1013 24.535,1017 -0.983,1020 45.44,1021 49.993,1022 0.291,1023 0.657,1024 0.825,1025 0.913,1026 0.945,1027 0.945,1028 4.89,1029 1.403,1030 5.746,1031 3.752,1032 4.369,1033 4.949,1034 2.45,1035 6.561,1036 4.288,1037 6.109,1038 1.157,1039 7.318,1040 3.068,1041 4.007,1042 4.783,1044 7.493,1045 3.915,1046 7.422,1047 1,1048 8.993,1049 2.706,1050 5.969,1051 7.136,1052 3.347,1053 10.6,1054 5.822,1055 8.773,1056 0.618,1057 10.728,1058 2.453,1059 6.447,1060 7.823,1062 12.374,1063 6.285,1064 10.157,1065 0.371,1066 12.501,1067 1.372,1068 7.879,1069 9.625,1070 4.381,1071 14.998,1072 7.68,1073 11.564,1074 0.121,1075 14.302,1076 0.851,1077 8.726,1078 10.7,1080 17.109,1081 8.508,1082 12.99,1083 -0.276,1084 16.121,1085 0.286,1086 9.964,1087 12.283,1088 5.478,1089 19.57,1090 9.718,1091 3.204,1092 -0.706,1093 17.954,1094 -0.59,1095 10.974,1096 13.54,1098 21.826,1099 10.706,1100 2.951,1101 10.936,1102 19.799,1103 -1.842,1104 12.143,1105 15.033,1106 6.608,1107 24.228,1108 11.849,1109 2.583,1110 9.621,1111 21.653,1112 4.281,1113 13.224,1114 16.379,1116 26.548,1117 12.907,1118 2.343,1119 8.008,1120 23.514,1121 3.916,1122 14.37,1123 17.835,1124 7.758,1125 28.93,1126 14.027,1127 2.012,1128 6.742,1129 25.38,1130 3.478,1131 15.484,1132 19.224,1134 31.281,1135 15.116,1136 1.692,1137 5.365,1138 27.251,1139 3.024,1140 16.626,1141 20.667,1142 8.917,1143 33.658,1144 16.232,1145 1.414,1146 4.744,1147 29.127,1148 2.644,1149 17.756,1150 22.079,1152 36.024,1153 17.335,1154 7923,1155 13902,1156 18.205,1157 31.324,1158 42.377,1159 43.741,1160 43.567,1161 41.69,1162 41.739,1163 55.814,1164 7.314,1165 119.808,1166 39.957,1167 5.47,1168 5.743,1169 6.442,1170 5.261,1171 5.204,1172 7.281,1173 3.595,1174 18.186,1175 5.111,1176 14.183,1177 1.513,1178 1.562,1179 1.556,1180 1.489,1181 1.491,1182 1.993,1183 0.261,1184 4.279,1185 1.427,1186 4.06,1187 4.095,1188 4.231,1189 3.979,1190 7.436,1191 3.961,1192 3.917,1193 3.932,1194 3.96,1195 3.843,1196 7.423,1197 3.841,1198 3.807,1199 3.817,1200 3.867,1201 3.816,1202 6.468,1203 3.763,1204 3.494,1205 3.511,1206 3.424,1207 3.258,1208 4.766,1209 3.29,1210 3.211,1211 3.29,1212 3.138,1213 3.03,1214 4.621,1215 3.027,1216 3.155,1217 3.174,1218 2.946,1219 2.959,1220 4.604,1221 2.965,1222 2.989,1223 3.085,1224 2.819,1225 2.811,1226 4.341,1227 2.792,1228 2.937,1229 2.972,1230 2.782,1231 2.746,1232 3.863,1233 2.749,1234 0.163,1235 0.134,1236 0.241,1237 0.149,1238 0.114,1239 4.564,1240 0.153,1241 3.743,1242 0.064,1243 6.758,1244 0.391,1245 4.172,1246 0.111,1247 3.204,1248 4.281,1249 1.797,1250 10.936,1251 3.111,1252 1.888,1253 1.872,1254 1.989,1255 1.992,1256 1.109,1257 1.987,1258 1.735,1259 1.695,1260 1.875,1261 1.913,1262 1.058,1263 1.908,1264 1.671,1265 1.645,1266 1.817,1267 1.809,1268 0.959,1269 1.807,1270 1.465,1271 1.422,1272 1.664,1273 1.587,1274 0.772,1275 1.615,1276 1.339,1277 1.328,1278 1.559,1279 1.549,1280 0.68,1281 1.552,1282 1.282,1283 1.249,1284 1.449,1285 1.393,1286 0.64,1287 1.472,1288 1.048,1289 1.02,1290 1.245,1291 1.293,1292 0.322,1293 1.267,1294 0.883,1295 0.839,1296 1.161,1297 1.145,1298 0.236,1299 1.132,1300 4.043,1302 5.361,1303 3.045,1304 6.858,1305 5.352,1306 8.435,1307 7.391,1308 10.057,1310 3.837,1314 9.681,1315 0.344,1318 5.079,1326 29.809,1327 71.984,1328 162.263,1329 203.972,1330 225.624,1331 233.624,1332 233.624,1333 56.596,1334 6.895,1335 68.53,1336 96.77,1337 16,1338 12.399,1339 4.248,1340 3.459,1341 44.473,1342 103,1343 88,1344 0.21,1345 188.001,1346 325.69,1347 450.482,1348 8696,1350 18.681,1351 0.719,1352 0.591,1353 19.035,1354 15.377,1355 12.469,1356 0.445,1357 0.322,1358 8.12,1359 11.541,1360 7.758,1361 6.452,1362 12.923,1363 9.025,1364 11.244,1365 0.288,1366 0.179,1367 11.853,1368 6.999,1369 9.523,1370 0.187,1371 0.1,1372 10.139,1373 5.088,1374 7.627,1375 0.121,1376 0.056,1377 8.215,1378 3.511,1379 5.222,1380 0.079,1381 0.031,1382 5.592,1383 2.061,1384 0.333,1385 82.534,1386 0.234,1387 25.352,1388 0.566,1389 134,1390 433.862,1391 169.105,1392 433.93,1393 578.94,1394 404,1395 157,1396 396.679,1397 186.89,1398 415.562,1399 604.35,1400 389,1401 6.796}
{0 CHEMBL1392228,1 1.854,2 9.409,3 0.567,4 0.321,5 78.806,6 9.422,7 0.4,8 3.718,9 3.778,10 3.527,11 3.231,12 4.887,13 3.256,14 4.261,15 4.356,16 3.937,17 3.589,18 5.46,19 3.613,20 4.391,21 4.517,22 3.882,23 3.623,24 5.641,25 3.61,26 4.191,27 4.31,28 3.783,29 3.497,30 5.481,31 3.459,32 4.097,33 4.256,34 3.677,35 3.33,36 5.291,37 3.309,38 3.994,39 4.16,40 3.514,41 3.286,42 5.168,43 3.218,44 3.846,45 3.97,46 3.274,47 3.109,48 5.037,49 3.08,50 3.713,51 3.823,52 3.12,53 2.943,54 5.039,55 2.952,56 0.193,57 0.498,58 4.596,59 3.312,60 9.698,61 2.916,62 0.581,63 0.811,64 12.6,65 5.496,66 30.646,67 4.702,68 0.917,69 0.876,70 18.22,71 6.709,72 50.625,73 5.954,74 0.546,75 0.774,76 13.148,77 5.623,78 37.731,79 5.296,80 0.465,81 0.697,82 13.302,83 4.926,84 32.296,85 4.886,86 0.43,87 0.647,88 15.18,89 5.052,90 28.8,91 4.981,92 0.346,93 0.541,94 12.254,95 4.256,96 24.651,97 3.555,98 0.418,99 0.442,100 8.203,101 3.144,102 27.748,103 2.765,104 2,105 35,106 0.34,107 0.669,108 0.727,109 0.781,110 0.856,111 0.867,112 3.147,113 0.909,114 -1.41,115 -1.49,116 -1.54,120 41.2,126 4,138 1,139 1,143 2,145 2,147 1,153 1,159 1,163 1,177 4,180 2,182 1,185 1,188 3,189 3,192 1,197 2,200 3,201 2,204 1,206 2,213 2,214 2,226 1,227 3,230 2,240 2,251 2,252 2,263 2,274 586,275 15.24,276 15.24,277 15.24,278 15.24,279 15.24,280 13.754,281 21.278,282 9.11,283 16.059,284 12.404,285 12.404,286 12.404,287 12.404,288 12.404,289 9.929,290 26.69,291 4.4,292 13.745,293 3.233,294 1.434,295 1.118,296 0.824,297 0.412,298 0.353,299 3.851,306 1,307 1,308 464,309 2.646,312 36.39,313 160.005,316 64.832,317 79.209,320 1.5,321 27.962,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 50,333 207,334 4.548,335 3.631,336 6.405,337 4.032,338 3.106,339 4.487,340 1.058,341 10.021,342 2.878,343 4.148,344 3.299,345 6.058,346 3.769,347 2.816,348 3.547,349 0.86,350 8.749,351 2.682,352 3.975,353 2.871,354 5.934,355 3.517,356 2.617,357 3.424,358 0.86,359 8.35,360 2.338,361 3.352,362 2.675,363 5.111,364 2.924,365 2.03,366 2.595,367 0.86,368 6.114,369 1.793,370 3.178,371 2.215,372 4.732,373 2.691,374 1.771,375 2.471,376 0.86,377 5.206,378 1.617,379 2.945,380 2.113,381 4.172,382 2.569,383 1.66,384 1.963,386 3.855,387 1.482,388 2.48,389 1.936,390 4,391 2.322,392 1.405,393 1.479,395 3.148,396 1.274,397 2.399,398 1.77,399 3.62,400 1.975,401 1.136,402 1.376,404 3.003,405 0.955,406 2.36,407 1.539,408 3.441,409 1.961,410 1.009,411 1.247,413 2.436,414 0.93,415 2.041,416 1.427,417 3.247,418 1.817,419 1,420 1.022,422 2.136,423 0.813,424 1.554,425 0.518,426 3,427 1.106,428 0.241,429 0.311,431 0.629,432 0.205,433 1.127,434 0.46,435 2.734,436 0.705,437 -0.235,438 -0.29,440 -0.646,441 -0.216,442 0.799,443 0.032,444 2.583,445 0.388,446 -0.552,447 -0.648,449 -1.487,450 -0.504,451 0.625,452 -0.229,453 2,454 0.169,455 -0.709,456 -0.868,458 -1.634,459 -0.609,460 0.385,461 -0.288,462 2,463 0.167,464 -0.758,465 -0.869,467 -1.896,468 -0.676,469 10.3,470 0.468,471 0.465,472 0.021,473 28.25,474 1.284,475 12.5,476 0.568,477 15.75,478 0.716,479 15.874,480 0.722,481 23.9,482 0.703,483 18.475,484 0.84,485 5.624,486 0.256,487 5.168,488 0.235,489 0.032,491 0.34,496 0.893,497 1.266,498 0.641,499 1.009,500 0.639,501 0.853,502 1.264,503 1.043,504 0.84,505 0.904,506 0.823,507 0.799,508 1.15,509 0.884,510 1.086,511 0.829,512 0.992,513 0.835,514 0.742,515 1.228,516 1.046,517 1.237,518 1.03,519 1.185,520 0.855,521 1.109,522 0.828,523 1.025,524 1.275,525 0.916,526 0.719,527 0.93,528 1.283,529 1.176,530 1.102,531 0.949,532 1.238,533 1.274,534 1.647,535 1.461,536 1.512,537 1.192,538 1.022,539 0.956,540 1.256,541 1.142,542 0.759,543 1.149,544 4,545 0.019,546 2,547 1.479,548 1.018,549 0.608,550 0.274,551 0.228,552 0.145,553 0.101,554 5528,555 17973,556 2.205,557 35.3,559 10,560 1,562 1,567 1.641,568 2.129,569 3.251,570 -0.175,572 1,574 1,575 63.042,576 1.854,577 3.653,578 3.97,579 4.264,580 4.676,581 4.735,582 2.72,583 3.732,584 4.432,585 3.368,586 777.917,587 7.595,588 8490.72,590 1,593 172.974,594 1.143,595 4.418,596 0.16,597 0.002,598 0.057,599 0.045,600 0.038,601 0.025,602 0.013,603 0.013,604 0.009,605 0.007,606 0.369,607 0.5,608 1,609 0.405,610 101.262,611 -0.123,612 -0.193,613 0.057,614 -0.074,615 -0.057,616 -0.013,617 -0.214,618 -0.029,619 0.053,620 0.065,621 -0.07,622 0.077,623 -0.035,624 0.102,625 -0.074,626 0.17,627 -0.003,628 0.095,629 0.121,630 -0.171,631 -0.042,632 -0.202,633 0.08,634 -0.252,635 0.014,636 -0.066,637 0.21,638 -0.028,639 -0.088,640 0.058,641 0.074,642 0.166,643 -0.016,644 -0.001,645 -0.012,646 0.083,647 -0.297,648 -0.199,649 -0.445,650 -0.303,651 -0.267,652 -0.237,653 0.024,654 0.069,655 -0.385,656 -0.22,657 0.191,658 -0.28,659 2.045,660 5.033,661 0.864,662 17.421,663 1.039,664 1.119,665 0.181,666 0.033,667 0.698,668 3.258,669 3.584,670 3.871,671 4.159,672 4.394,673 4.454,674 4.644,675 4.787,676 4.844,677 4.852,678 5.623,679 0.689,680 320.35,681 3.258,682 4.796,683 5.652,684 6.532,685 7.405,686 8.291,687 9.172,688 10.061,689 10.947,690 11.838,691 5.9,698 1,701 1,708 2,709 2,710 1,713 1,714 3,716 10,735 2,738 34,739 12,740 1,741 25,743 37,744 14,745 7,746 4,747 2,748 3,752 4,753 7,768 10,769 4,772 2,778 1,780 1,782 2,785 1,786 1,789 12,790 7,791 1,792 8,793 1,797 2,803 0.5,804 5,822 1,823 3,826 1,827 1,838 1,845 1,854 2,855 2,857 1,862 22,869 4,871 1,872 4,879 1,886 14.7,889 1,890 2,891 2,893 10.333,894 6.2,895 4.75,896 1.968,898 2.356,899 1.321,900 1.007,901 3.795,902 9.691,903 3.497,904 4.099,905 4.695,906 5.296,907 5.819,908 6.204,909 6.663,910 7.048,911 7.128,912 7.311,913 1,914 33,915 8.132,917 3.544,918 7.864,919 15.274,921 12.549,924 2.364,925 52,929 129.482,930 103.959,931 34.796,933 69.144,935 31.278,936 72.682,937 198.627,938 34.796,940 47.914,941 18.952,942 73.878,943 35.132,944 12.517,945 148.989,947 129.482,948 107.478,949 69.144,950 31.278,952 129.482,953 47.145,954 22,956 39.025,957 46.424,958 22.029,959 31.278,960 129.482,961 103.941,962 103.959,965 129.482,966 73.473,967 30.487,968 18.011,969 85.93,970 129.482,971 103.941,972 103.959,973 0.58,974 0.339,975 0.188,976 0.102,977 19,978 7,979 0.054,980 2,981 2,982 1.211,983 3.572,984 177.282,985 0.211,986 19,987 98.107,989 1,993 14.085,994 5.928,995 2.882,996 1.661,997 103.941,998 3.687,999 4.383,1002 1.36,1003 1.859,1005 18.011,1006 337.382,1007 32,1013 12.033,1015 1.312,1017 -0.229,1020 35.335,1021 38.04,1022 0.364,1023 0.718,1024 0.78,1025 0.838,1026 0.919,1027 0.931,1028 4.741,1029 1.136,1030 5.624,1031 3.148,1032 4.263,1033 4.783,1034 2.214,1035 6.422,1036 4.075,1037 5.937,1038 1.009,1039 7.166,1040 3.003,1041 3.761,1042 4.663,1044 7.235,1045 3.552,1046 7.25,1047 1,1048 8.807,1049 2.436,1050 5.838,1051 7.012,1052 2.065,1053 10.348,1054 5.499,1055 8.599,1056 0.241,1057 10.506,1058 2.136,1059 6.176,1060 7.755,1062 11.991,1063 5.812,1064 9.984,1065 -0.235,1066 12.242,1067 0.629,1068 7.697,1069 9.578,1070 1.953,1071 14.581,1072 7.226,1073 11.392,1074 -0.552,1075 14.002,1076 -0.646,1077 8.435,1078 10.716,1080 16.569,1081 7.925,1082 12.818,1083 -0.709,1084 15.78,1085 -1.487,1086 9.716,1087 12.335,1088 1.878,1089 18.965,1090 9.118,1091 3.106,1092 -0.758,1093 17.57,1094 -1.634,1095 10.648,1096 13.661,1098 21.108,1099 9.996,1100 2.816,1101 10.021,1102 19.369,1103 -1.896,1104 11.825,1105 15.2,1106 1.84,1107 23.429,1108 11.096,1109 2.617,1110 8.749,1111 21.175,1112 4.487,1113 12.849,1114 16.615,1116 25.644,1117 12.056,1118 2.03,1119 8.35,1120 22.986,1121 3.547,1122 13.984,1123 18.124,1124 1.834,1125 27.939,1126 13.117,1127 1.771,1128 6.114,1129 24.802,1130 3.424,1131 15.053,1132 19.582,1134 30.189,1135 14.117,1136 1.66,1137 5.206,1138 26.621,1139 2.595,1140 16.171,1141 21.082,1142 1.855,1143 32.476,1144 15.164,1145 1.405,1146 3.855,1147 28.443,1148 2.471,1149 17.263,1150 22.561,1152 34.746,1153 16.183,1154 5120,1155 9375,1156 17.394,1157 23.739,1158 37.803,1159 39.229,1160 37.838,1161 37.479,1162 37.581,1163 47.844,1164 8.997,1165 107.294,1166 33.937,1167 5.492,1168 5.631,1169 6.207,1170 5.174,1171 5.106,1172 7.487,1173 2.117,1174 16.759,1175 4.878,1176 5.575,1177 1.512,1178 1.569,1179 1.514,1180 1.499,1181 1.503,1182 1.914,1183 0.36,1184 4.292,1185 1.357,1186 4.073,1187 4.08,1188 4.324,1189 4.042,1190 7.429,1191 4.006,1192 3.779,1193 3.786,1194 3.727,1195 3.558,1196 5.039,1197 3.595,1198 3.598,1199 3.623,1200 3.652,1201 3.42,1202 4.854,1203 3.413,1204 3.349,1205 3.398,1206 3.238,1207 3.132,1208 4.69,1209 3.141,1210 3.086,1211 3.131,1212 3.104,1213 3.006,1214 4.213,1215 2.965,1216 2.933,1217 2.964,1218 2.886,1219 2.795,1220 4.148,1221 2.79,1222 2.794,1223 2.84,1224 2.668,1225 2.543,1226 3.973,1227 2.57,1228 2.567,1229 2.622,1230 2.434,1231 2.192,1232 3.648,1233 2.224,1234 0.182,1235 0.145,1236 0.256,1237 0.161,1238 0.124,1239 4.548,1240 0.179,1241 3.631,1242 0.042,1243 6.405,1244 0.401,1245 4.032,1246 0.115,1247 3.106,1248 4.487,1249 1.058,1250 10.021,1251 2.878,1252 1.902,1253 1.897,1254 1.954,1255 2.015,1256 1.135,1257 2,1258 1.661,1259 1.647,1260 1.816,1261 1.912,1262 1.004,1263 1.877,1264 1.423,1265 1.384,1266 1.666,1267 1.654,1268 0.933,1269 1.653,1270 1.379,1271 1.34,1272 1.486,1273 1.597,1274 0.581,1275 1.596,1276 1.131,1277 1.101,1278 1.218,1279 1.272,1280 0.379,1281 1.292,1282 0.8,1283 0.748,1284 1.06,1285 1.065,1286 0.112,1287 1.064,1288 0.745,1289 0.731,1290 0.926,1291 0.942,1292 0.072,1293 0.92,1294 0.556,1295 0.527,1296 0.894,1297 0.854,1298 0.034,1299 0.852,1300 3.932,1302 5.252,1303 2.398,1304 6.772,1305 4.727,1306 8.38,1307 6.823,1308 10.034,1315 1.869,1317 2.705,1318 21.359,1326 23.438,1327 63.042,1328 124.219,1329 134.974,1330 144.974,1331 158.974,1332 160.974,1333 29.506,1334 7.335,1335 78.91,1336 107.15,1337 23,1338 12.367,1339 3.7,1340 3,1341 30.034,1342 75,1343 68,1344 0.2,1345 142.626,1346 248.14,1347 339.767,1348 15008,1350 14.941,1351 0.679,1352 0.558,1353 15.295,1354 12.274,1355 10.793,1356 0.432,1357 0.303,1358 6.645,1359 9.631,1360 6.526,1361 5.277,1362 11.201,1363 7.572,1364 9.745,1365 0.278,1366 0.162,1367 10.413,1368 5.669,1369 8.376,1370 0.178,1371 0.087,1372 9.111,1373 4.079,1374 7.211,1375 0.114,1376 0.048,1377 8.108,1378 3.036,1379 5.891,1380 0.074,1381 0.026,1382 6.698,1383 2.079,1384 0.312,1385 73.958,1386 0.24,1387 21.756,1388 0.549,1389 120,1390 459.516,1391 166.62,1392 435.466,1393 591.86,1394 412,1395 142,1396 414.359,1397 184.709,1398 421.895,1399 628.29,1400 398,1401 5.76}
{0 CHEMBL1392570,1 1.683,2 10,3 1.133,4 1.284,5 71.612,6 8.221,7 0.571,8 3.607,9 3.715,10 3.238,11 3.108,12 4.883,13 3.125,14 4.047,15 4.189,16 3.517,17 3.398,18 5.345,19 3.404,20 4.215,21 4.38,22 3.566,23 3.448,24 5.59,25 3.441,26 4.191,27 4.369,28 3.373,29 3.298,30 5.535,31 3.288,32 4.127,33 4.353,34 3.229,35 3.148,36 5.511,37 3.126,38 3.929,39 4.156,40 3.139,41 3.036,42 5.259,43 3.009,44 3.749,45 3.905,46 3.105,47 2.978,48 5.173,49 2.988,50 3.743,51 3.902,52 2.93,53 2.932,54 5.106,55 2.925,56 0.103,57 0.485,58 5.514,59 2.717,60 6.107,61 3.141,62 0.292,63 0.693,64 10.236,65 4.029,66 21.25,67 4.855,68 0.401,69 0.775,70 13.14,71 4.857,72 37.579,73 6.028,74 0.38,75 0.726,76 13.481,77 4.402,78 42.246,79 5.256,80 0.438,81 0.658,82 14.231,83 3.964,84 67.193,85 5.343,86 0.393,87 0.536,88 11.705,89 3.573,90 36.591,91 4.972,92 0.248,93 0.452,94 8.507,95 3.113,96 26.366,97 3.64,98 0.305,99 0.45,100 8.678,101 2.738,102 43.902,103 2.932,104 11,105 27,106 0.312,107 0.618,108 0.742,109 0.853,110 0.864,111 0.864,112 3.056,113 0.837,114 -2.42,115 -2.45,116 -2.4,120 42.4,125 1,143 7,144 1,145 1,146 1,147 1,159 2,171 1,174 6,177 5,180 2,182 1,185 5,188 1,189 6,192 3,194 4,197 2,201 4,204 1,206 6,213 1,214 2,219 4,226 2,227 4,230 1,232 1,235 1,240 5,243 1,247 3,252 3,260 5,263 1,271 4,274 492,275 13.56,276 13.56,277 13.56,278 13.56,279 13.56,280 11.902,281 11.08,282 8.181,283 13.828,284 10.266,285 10.266,286 10.266,287 10.266,288 10.266,289 7.698,290 10.797,291 3.788,292 10.538,293 3.361,294 1.709,295 1.043,296 0.447,297 0.387,298 0.387,299 3.716,306 1,307 1,308 414,309 3.24,313 148.887,320 1.5,321 23.666,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44.5,333 200,334 4.198,335 3.594,336 6.052,337 3.845,338 2.846,339 3.769,340 0.98,341 8.652,342 2.839,343 4.128,344 3.499,345 5.994,346 3.747,347 2.754,348 3.668,349 0.98,350 8.472,351 2.727,352 3.713,353 2.821,354 5.283,355 3.325,356 2.373,357 3.061,358 0.86,359 6.713,360 2.248,361 3.283,362 2.184,363 4.377,364 2.825,365 1.839,366 2.548,368 4.395,369 1.806,370 2.876,371 1.991,372 4.082,373 2.455,374 1.467,375 1.943,377 3.583,378 1.438,379 2.582,380 1.324,381 3.465,382 2.085,383 1.087,384 1.548,386 2.55,387 1.076,388 2.5,389 1.21,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1.063,399 3.247,400 1.958,401 1,402 1.5,404 2.136,405 0.955,406 1.719,407 1,408 2.883,409 1.438,410 0.521,411 0.586,413 0.88,414 0.463,415 1.614,416 1,417 2.595,418 1.261,419 0.243,420 0.309,422 0.463,423 0.247,424 0.812,425 0.159,426 2.118,427 0.403,428 -0.566,429 -0.718,431 -1.082,432 -0.536,433 0.751,434 -0.185,435 2,436 0.255,437 -0.744,438 -1.036,440 -1.603,441 -0.732,442 0.5,443 -0.588,444 1.595,445 0.039,446 -1,447 -1.392,449 -2.347,450 -0.973,451 0.5,452 -0.985,453 1.555,455 -1,456 -1.5,458 -2.432,459 -1,460 0.414,461 -1,462 1.336,463 -0.025,464 -1,465 -1.5,467 -3,468 -1.034,469 9.2,470 0.46,471 0.383,472 0.019,473 28,474 1.4,475 15.5,476 0.775,477 12.5,478 0.625,479 11.105,480 0.555,481 21.4,482 0.648,483 19.642,484 0.982,485 6.062,486 0.303,487 3.641,488 0.182,489 0.127,491 0.272,496 0.731,497 1.146,498 0.71,499 1.039,500 0.579,501 0.892,502 0.926,503 1.126,504 0.869,505 0.98,506 0.673,507 0.922,508 0.918,509 1.109,510 0.933,511 1.083,512 0.935,513 1.036,514 1.405,515 1.255,516 1.236,517 1.199,518 1.52,519 1.18,520 1.127,521 1.044,522 1.022,523 0.911,524 1.218,525 0.915,526 0.688,527 0.77,528 0.745,529 0.759,530 0.809,531 0.753,532 1.271,533 1.002,534 0.926,535 0.985,536 1.532,537 0.904,538 1.833,539 0.871,540 1.421,541 0.838,542 2.124,543 0.99,544 3.5,545 0.049,546 2.444,547 0.938,548 0.613,549 0.59,550 0.366,551 0.156,552 0.09,553 0.082,554 3953,555 13079,556 1.995,557 39.4,559 10,561 1,562 2,567 1.612,568 1.875,569 3.312,570 0.41,572 1,574 1,575 55.547,576 1.683,577 3.335,578 4.002,579 4.597,580 4.658,581 4.658,582 2.771,583 3.546,584 4.294,585 3.428,586 651.278,587 7.306,588 6911.76,589 1,590 1,593 166.465,594 1.353,595 4.255,596 0.167,597 0.006,598 0.091,599 0.035,600 0.029,601 0.033,602 0.022,603 0.009,604 0.006,605 0.007,606 0.405,607 0.5,608 1,609 0.843,610 90.61,611 -0.038,612 0.023,613 0.023,614 -0.028,615 -0.072,616 0.006,617 -0.02,618 -0.044,619 -0.021,620 -0.002,621 -0.005,622 -0.014,623 0.075,624 -0.089,625 -0.014,626 -0.12,627 0.054,628 -0.108,629 -0.258,630 -0.267,631 -0.266,632 -0.275,633 -0.221,634 -0.276,635 -0.053,636 -0.09,637 0.03,638 -0.005,639 0.06,640 0.038,641 0.285,642 0.172,643 0.298,644 0.189,645 0.207,646 0.244,647 -0.103,648 -0.046,649 0.029,650 0.004,651 -0.087,652 0.037,653 -0.511,654 0.124,655 -0.457,656 0.096,657 -0.496,658 -0.113,659 2.146,660 4.793,661 0.6,662 15.12,663 1.021,664 1.127,665 1.189,666 1.414,667 0.672,668 3.091,669 3.332,670 3.526,671 3.611,672 3.761,673 3.664,674 3.611,675 3.367,676 3.434,677 3.497,678 5.802,679 0.662,680 271.3,681 3.091,682 4.575,683 5.38,684 6.201,685 7.02,686 7.844,687 8.668,688 9.493,689 10.317,690 11.143,691 9.1,698 2,701 1,709 8,710 1,714 3,716 12,735 1,738 33,739 14,740 1,741 21,743 34,744 14,745 11,746 2,747 4,748 2,752 2,753 2,768 13,769 1,772 2,778 2,782 2,785 1,786 1,789 13,790 6,791 2,792 6,797 3,801 1,803 1,804 3,816 1,823 2,855 2,859 1,862 20,871 2,872 1,886 9.1,889 2,891 1,893 10.667,894 6.117,895 4.639,896 1.693,898 2.02,899 1.332,900 0.947,901 4.688,902 8.107,903 3.401,904 3.912,905 4.419,906 4.832,907 5.301,908 5.22,909 5.318,910 4.888,911 5.192,912 5.538,913 0.857,914 27,915 7.33,917 2.999,918 8.092,919 13.37,921 10.051,924 2.592,925 51.833,929 129.482,930 106.859,931 52.562,933 61.29,936 106.859,937 190.772,938 52.562,939 10.883,940 35.776,941 66.334,942 88.256,943 31.233,945 117.711,947 129.482,948 159.421,949 61.29,952 129.482,953 61.29,956 47.581,957 95.055,958 16.786,960 129.482,961 113.852,962 106.859,965 129.482,966 20.595,967 86.264,968 35.776,969 78.075,970 129.482,971 113.852,972 106.859,973 0.564,974 0.33,975 0.157,976 0.082,977 11,978 5,979 0.118,980 4,982 1,983 3.317,984 134.625,986 12,987 82.439,993 14.029,994 6.683,995 3.8,997 113.852,998 12.96,999 3.872,1003 1.286,1005 35.776,1006 350.193,1007 29,1013 23.466,1017 -0.899,1020 33.705,1021 37.199,1022 0.334,1023 0.661,1024 0.793,1025 0.911,1026 0.923,1027 0.923,1028 4.575,1029 1,1030 5.323,1031 2.275,1032 4.007,1033 4.595,1034 1.844,1035 6.033,1036 3.967,1037 5.748,1038 0.521,1039 6.83,1040 2.136,1041 3.434,1042 4.182,1044 6.783,1045 3.407,1046 7.018,1047 0.243,1048 8.438,1049 0.88,1050 5.509,1051 6.684,1052 1.754,1053 9.785,1054 5.44,1055 8.325,1056 -0.566,1057 10.105,1058 0.463,1059 5.771,1060 7.07,1062 11.351,1063 5.719,1064 9.661,1065 -0.744,1066 11.809,1067 -1.082,1068 7.277,1069 9.029,1070 1.677,1071 13.833,1072 7.192,1073 11.018,1074 -1,1075 13.538,1076 -1.603,1077 7.923,1078 9.792,1080 15.719,1081 7.854,1082 12.39,1083 -1,1084 15.284,1085 -2.347,1086 9.178,1087 11.494,1088 1.609,1089 18.008,1090 9.086,1091 2.846,1092 -1,1093 17.042,1094 -2.432,1095 10.012,1096 12.464,1098 20.035,1099 9.933,1100 2.754,1101 8.652,1102 18.808,1103 -3,1104 11.149,1105 14.023,1106 1.548,1107 22.244,1108 11.054,1109 2.373,1110 8.472,1111 20.58,1112 3.769,1113 12.079,1114 15.117,1116 24.334,1117 11.992,1118 1.839,1119 6.713,1120 22.356,1121 3.668,1122 13.16,1123 16.588,1124 1.495,1125 26.508,1126 13.064,1127 1.467,1128 4.395,1129 24.136,1130 3.061,1131 14.139,1132 17.76,1134 28.629,1135 14.047,1136 1.087,1137 3.583,1138 25.918,1139 2.548,1140 15.194,1141 19.177,1142 1.446,1143 30.789,1144 15.095,1145 1,1146 2.55,1147 27.703,1148 1.943,1149 16.198,1150 20.399,1152 32.923,1153 16.101,1154 3980,1155 7350,1156 13.811,1157 22.188,1158 30.61,1159 32.403,1160 31.354,1161 30.259,1162 30.26,1163 40.862,1164 5.639,1165 80.235,1166 29.598,1167 5.096,1168 5.594,1169 5.854,1170 4.884,1171 4.846,1172 6.769,1173 1.96,1174 14.727,1175 4.839,1176 9.426,1177 1.458,1178 1.543,1179 1.493,1180 1.441,1181 1.441,1182 1.946,1183 0.269,1184 3.821,1185 1.409,1186 3.944,1187 3.971,1188 3.895,1189 3.853,1190 7.435,1191 3.857,1192 3.872,1193 3.904,1194 3.82,1195 3.761,1196 7.424,1197 3.77,1198 3.483,1199 3.541,1200 3.42,1201 3.189,1202 4.872,1203 3.241,1204 3.271,1205 3.318,1206 3.184,1207 3.025,1208 4.846,1209 3.056,1210 3.093,1211 3.129,1212 2.93,1213 2.834,1214 4.36,1215 2.841,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.179,1221 2.715,1222 2.786,1223 2.865,1224 2.634,1225 2.611,1226 3.83,1227 2.608,1228 2.647,1229 2.734,1230 2.507,1231 2.4,1232 3.674,1233 2.418,1234 0.2,1235 0.171,1236 0.288,1237 0.183,1238 0.136,1239 4.198,1240 0.179,1241 3.594,1242 0.047,1243 6.052,1244 0.412,1245 3.845,1246 0.135,1247 2.846,1248 3.769,1249 0.98,1250 8.652,1251 2.839,1252 1.896,1253 1.877,1254 1.995,1255 2.012,1256 1.075,1257 2.003,1258 1.833,1259 1.798,1260 1.943,1261 1.966,1262 0.948,1263 1.961,1264 1.331,1265 1.284,1266 1.578,1267 1.669,1268 0.578,1269 1.622,1270 1.188,1271 1.134,1272 1.435,1273 1.499,1274 0.354,1275 1.508,1276 1.01,1277 0.965,1278 1.181,1279 1.264,1280 0.218,1281 1.224,1282 0.886,1283 0.821,1284 1.172,1285 1.062,1286 0.207,1287 1.107,1288 0.779,1289 0.705,1290 1.049,1291 1.004,1292 0.045,1293 1.032,1294 0.589,1295 0.501,1296 0.86,1297 0.872,1299 0.871,1300 3.761,1302 5.017,1304 6.475,1306 8.011,1308 9.583,1310 1.544,1317 4.609,1318 4.995,1326 21.843,1327 55.547,1328 110.059,1329 132.059,1330 151.71,1331 153.71,1332 153.71,1333 36.548,1334 6.087,1335 80.32,1336 80.32,1337 12,1338 11.72,1339 3.907,1340 3.17,1341 36.677,1342 70,1343 68,1344 0.258,1345 139.229,1346 242.49,1347 331.478,1348 3022,1350 14.372,1351 0.719,1352 0.54,1353 14.372,1354 10.791,1355 9.703,1356 0.462,1357 0.279,1358 5.744,1359 9.213,1360 5.613,1361 4.715,1362 9.703,1363 5.862,1364 8.119,1365 0.301,1366 0.143,1367 8.119,1368 3.852,1369 6.805,1370 0.206,1371 0.077,1372 6.805,1373 2.539,1374 4.866,1375 0.135,1376 0.041,1377 4.866,1378 1.489,1379 3.705,1380 0.088,1381 0.022,1382 3.705,1383 0.906,1384 0.411,1385 61.849,1386 0.269,1387 20.399,1388 0.684,1389 96,1390 361.517,1391 108.469,1392 342.24,1393 451.51,1394 318,1395 108,1396 316.869,1397 120.417,1398 319.58,1399 456.64,1400 298,1401 5.956}
{0 CHEMBL1392590,1 1.727,2 11.464,3 2.861,4 8.188,5 110.748,6 8.457,7 0.4,8 3.958,9 4.058,10 3.623,11 3.487,12 5.167,13 3.486,14 4.448,15 4.591,16 3.982,17 3.829,18 5.648,19 3.819,20 4.629,21 4.768,22 4.115,23 4,24 5.858,25 3.96,26 4.749,27 4.919,28 4.121,29 3.98,30 6.152,31 3.914,32 4.7,33 4.914,34 3.948,35 3.942,36 5.813,37 3.859,38 4.671,39 4.85,40 3.989,41 3.908,42 5.909,43 3.85,44 4.59,45 4.755,46 3.94,47 3.828,48 5.967,49 3.776,50 4.549,51 4.753,52 3.736,53 3.699,54 5.769,55 3.633,56 0.093,57 0.666,58 7.745,59 4.058,60 7.994,61 4.623,62 0.415,63 1.047,64 16.755,65 6.392,66 27.568,67 7.519,68 0.332,69 1.236,70 20.057,71 8.684,72 33.789,73 9.731,74 0.851,75 1.36,76 27.923,77 9.612,78 103.74,79 10.755,80 0.474,81 1.275,82 25.174,83 9.368,84 49.944,85 11.542,86 0.528,87 1.232,88 27.174,89 9.218,90 60.333,91 10.083,92 0.642,93 1.142,94 23.432,95 8.241,96 64.133,97 9.149,98 0.461,99 1.052,100 22.818,101 7.866,102 61.469,103 9.065,104 30,105 41,106 0.294,107 0.617,108 0.741,109 0.835,110 0.852,111 0.874,112 3.374,113 0.884,114 -2.82,115 -2.83,116 -2.74,120 42.6,125 2,126 1,137 1,138 1,143 8,144 1,145 3,159 2,160 1,174 7,176 1,177 7,180 2,182 3,185 7,189 4,192 1,194 2,197 4,200 3,201 4,204 4,205 1,206 1,209 2,214 4,217 1,219 2,222 4,227 6,232 4,235 2,239 3,240 10,243 1,245 5,247 1,252 2,257 2,260 1,263 3,264 2,267 1,269 1,271 4,274 1294,275 18.947,276 18.947,277 18.947,278 18.947,279 18.947,280 16.898,281 27.251,282 11.122,283 19.533,284 14.638,285 14.638,286 14.638,287 14.638,288 14.638,289 11.341,290 36.517,291 5.091,292 15.382,293 3.828,294 1.926,295 1.197,296 0.644,297 0.543,298 0.415,299 4.054,306 1,307 1,308 675,309 3.082,313 294.906,320 1.679,321 33.209,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 61.5,333 321,334 4.446,335 4.059,336 6.728,337 4.144,338 3.178,339 3.923,340 1.834,341 10.817,342 3.081,343 4.262,344 3.517,345 6.173,346 3.853,347 2.9,348 3.792,349 1.122,350 9.166,351 2.76,352 3.924,353 3.338,354 5.893,355 3.556,356 2.567,357 3.446,358 0.953,359 8.045,360 2.536,361 3.673,362 3.155,363 5.288,364 3.243,365 2.298,366 2.92,367 0.86,368 6.692,369 2.165,370 3.537,371 2.731,372 5.223,373 3.156,374 2.223,375 2.829,376 0.86,377 6.507,378 2.063,379 3.368,380 2.662,381 5.073,382 2.943,383 1.973,384 2.497,385 0.486,386 5.672,387 1.875,388 2.937,389 2.113,390 4.403,391 2.552,392 1.626,393 2.068,394 0.4,395 4.259,396 1.498,397 2.902,398 1.837,399 3.741,400 2.457,401 1.46,402 2.06,404 3.127,405 1.452,406 2.608,407 1.632,408 3.651,409 2.009,410 1.045,411 1.5,413 2.492,414 1,415 2.5,416 1.41,417 3.368,418 2,419 1,420 1.444,422 2.136,423 0.994,424 1.99,425 1.148,426 3.247,427 1.58,428 0.647,429 0.798,431 1.577,432 0.59,433 1.866,434 1,435 3.1,436 1.474,437 0.525,438 0.65,440 1.074,441 0.49,442 1.592,443 0.94,444 2.777,445 1.32,446 0.464,447 0.512,449 0.673,450 0.394,451 1.305,452 0.865,453 2.735,454 1,455 0.052,456 0.062,458 0.101,459 0.048,460 1,461 0.67,462 2.599,463 0.615,464 -0.386,465 -0.471,467 -0.954,468 -0.382,469 13.367,470 0.477,471 0.644,472 0.023,473 37.25,474 1.33,475 19,476 0.679,477 18.25,478 0.652,479 20.808,480 0.743,481 29.833,482 0.635,483 30.967,484 1.106,485 8.017,486 0.286,487 5.511,488 0.197,489 0.187,491 0.329,496 0.817,497 1.272,498 0.628,499 0.943,500 0.583,501 0.89,502 1.01,503 1.004,504 0.713,505 0.812,506 0.668,507 0.801,508 0.987,509 1.285,510 0.907,511 1.106,512 0.967,513 1.054,514 0.908,515 1.003,516 1.096,517 1.095,518 1.049,519 1.08,520 0.887,521 0.918,522 0.795,523 0.817,524 0.888,525 0.885,526 1.341,527 1.057,528 1.139,529 1.02,530 1.306,531 0.922,532 1.038,533 1.096,534 1.136,535 1.095,536 1.372,537 1.035,538 1.303,539 0.989,540 0.974,541 0.913,542 1.592,543 0.938,544 5.5,545 0.099,546 3.333,547 2.063,548 1.88,549 1.042,550 0.692,551 0.503,552 0.361,553 0.242,554 9332,555 29658,556 2.013,557 40.4,559 16,560 1,562 2,567 1.712,568 1.867,569 3.47,570 0.282,571 1,572 1,575 81.162,576 1.727,577 3.628,578 4.357,579 4.911,580 5.012,581 5.139,582 2.924,583 4.307,584 4.778,585 3.613,586 1365.89,587 8.32,588 18078.8,590 1,592 1,593 261.066,594 1.47,595 4.727,596 0.183,597 0.005,598 0.081,599 0.046,600 0.047,601 0.028,602 0.018,603 0.014,604 0.012,605 0.01,606 0.445,607 0.33,608 1,609 0.887,610 140.686,611 -0.075,612 -0.174,613 0.023,614 -0.073,615 -0.064,616 -0.016,617 -0.016,618 0.05,619 0.075,620 0.071,621 0.001,622 0.092,623 -0.062,624 -0.252,625 -0.03,626 -0.145,627 -0.056,628 -0.127,629 0.209,630 0.045,631 -0.058,632 -0.102,633 0.202,634 -0.153,635 -0.037,636 0.058,637 0.112,638 0.107,639 -0.015,640 0.105,641 -0.212,642 -0.059,643 -0.057,644 0.012,645 -0.119,646 0.041,647 0.106,648 -0.066,649 -0.107,650 -0.1,651 0.031,652 -0.105,653 -0.186,654 -0.031,655 -0.005,656 0.02,657 -0.167,658 0.027,659 2.223,660 5.845,661 0.643,662 26.515,663 1.016,664 1.119,665 1.588,666 2.523,667 0.693,668 3.434,669 3.738,670 4.007,671 4.22,672 4.419,673 4.431,674 4.443,675 4.511,676 4.625,677 4.644,678 6.615,679 0.666,680 397.49,681 3.434,682 4.963,683 5.808,684 6.676,685 7.537,686 8.411,687 9.278,688 10.155,689 11.026,690 11.904,691 6.4,696 1,698 2,709 8,714 4,716 12,729 1,735 2,738 47,739 16,740 2,741 30,743 49,744 20,745 12,746 4,747 8,748 4,752 3,753 3,757 1,768 17,769 3,772 4,778 2,779 1,780 1,782 4,786 1,789 19,790 7,791 2,792 8,793 1,797 3,800 2,803 1,804 4,823 3,846 1,855 3,857 1,859 2,862 28,869 1,871 2,872 2,875 1,886 8.5,889 2,891 2,893 15,894 9.033,895 6.389,896 2.464,898 2.578,899 1.359,900 0.963,901 6.541,902 9.769,903 3.714,904 4.248,905 4.762,906 5.215,907 5.64,908 5.737,909 5.945,910 6.218,911 6.585,912 6.769,913 0.875,914 45,915 10.335,917 4.34,918 7.946,919 19.111,921 14.93,924 2.446,925 68.5,928 1,929 200.109,930 183.23,931 39.146,933 72.29,935 45.192,936 138.038,937 272.398,938 39.146,939 21.766,940 32.288,941 75.81,942 77.71,943 41.615,944 12.056,945 188.338,946 45.192,947 200.109,948 177.184,949 72.29,950 45.192,952 200.109,953 72.29,956 23.241,957 135.932,958 18.011,959 45.192,960 200.109,961 111.435,962 183.23,965 200.109,966 31.414,967 109.748,968 36.022,969 117.482,970 200.109,971 111.435,972 183.23,973 0.574,974 0.35,975 0.186,976 0.099,977 18,978 9,979 0.122,980 6,982 1,983 3.888,984 235.718,986 18,987 130.606,990 1,993 20.17,994 9.08,995 4.655,997 111.435,998 14.57,1003 2.62,1005 36.022,1006 494.774,1007 40,1013 25.129,1014 5.17,1015 1.349,1017 -1.002,1020 47.76,1021 52.574,1022 0.311,1023 0.653,1024 0.784,1025 0.884,1026 0.902,1027 0.925,1028 4.942,1029 1.46,1030 5.79,1031 4.259,1032 4.419,1033 4.934,1034 2.691,1035 6.594,1036 4.332,1037 6.137,1038 1.045,1039 7.352,1040 3.127,1041 4.007,1042 4.691,1043 1.404,1044 7.503,1045 3.886,1046 7.437,1047 1,1048 9.014,1049 2.492,1050 6.009,1051 7.037,1052 3.168,1053 10.592,1054 5.849,1055 8.77,1056 0.647,1057 10.735,1058 2.136,1059 6.415,1060 7.568,1061 2.761,1062 12.306,1063 6.22,1064 10.133,1065 0.525,1066 12.493,1067 1.577,1068 7.88,1069 9.4,1070 3.999,1071 14.928,1072 7.655,1073 11.516,1074 0.464,1075 14.277,1076 1.074,1077 8.665,1078 10.291,1079 4.08,1080 16.987,1081 8.405,1082 12.915,1083 0.052,1084 16.08,1085 0.673,1086 9.92,1087 11.901,1088 5.031,1089 19.448,1090 9.633,1091 3.178,1092 -0.386,1093 17.897,1094 0.101,1095 10.888,1096 12.983,1097 5.36,1098 21.666,1099 10.565,1100 2.9,1101 10.817,1102 19.725,1103 -0.954,1104 12.061,1105 14.48,1106 6.159,1107 24.069,1108 11.71,1109 2.567,1110 9.166,1111 21.563,1112 3.923,1113 13.115,1114 15.67,1115 6.614,1116 26.363,1117 12.73,1118 2.298,1119 8.045,1120 23.409,1121 3.792,1122 14.259,1123 17.106,1124 7.33,1125 28.744,1126 13.845,1127 2.223,1128 6.692,1129 25.262,1130 3.446,1131 15.356,1132 18.359,1133 7.851,1134 31.077,1135 14.909,1136 1.973,1137 6.507,1138 27.121,1139 2.92,1140 16.492,1141 19.759,1142 8.521,1143 33.451,1144 16.015,1145 1.626,1146 5.672,1147 28.985,1148 2.829,1149 17.61,1150 21.05,1151 9.078,1152 35.804,1153 17.101,1154 9184,1155 16529,1156 19.592,1157 32.574,1158 44.542,1159 47.635,1160 46.268,1161 43.881,1162 43.917,1163 57.003,1164 13.029,1165 124.675,1166 41.893,1167 5.446,1168 6.059,1169 6.53,1170 5.215,1171 5.178,1172 6.923,1173 3.25,1174 18.308,1175 5.081,1176 15.207,1177 1.485,1178 1.588,1179 1.542,1180 1.463,1181 1.464,1182 1.9,1183 0.434,1184 4.156,1185 1.396,1186 3.981,1187 4.009,1188 4.03,1189 3.881,1190 7.444,1191 3.883,1192 3.905,1193 3.93,1194 3.874,1195 3.824,1196 7.412,1197 3.827,1198 3.787,1199 3.809,1200 3.8,1201 3.659,1202 4.937,1203 3.668,1204 3.357,1205 3.41,1206 3.544,1207 3.242,1208 4.815,1209 3.196,1210 3.282,1211 3.338,1212 3.17,1213 3.007,1214 4.723,1215 3.028,1216 3.198,1217 3.266,1218 3.133,1219 2.988,1220 4.585,1221 2.965,1222 3.134,1223 3.192,1224 3.019,1225 2.926,1226 4.368,1227 2.916,1228 2.9,1229 2.933,1230 2.871,1231 2.735,1232 4.095,1233 2.715,1234 0.148,1235 0.135,1236 0.224,1237 0.138,1238 0.106,1239 4.446,1240 0.131,1241 4.059,1242 0.061,1243 6.728,1244 0.361,1245 4.144,1246 0.103,1247 3.178,1248 3.923,1249 1.834,1250 10.817,1251 3.081,1252 1.92,1253 1.891,1254 2.041,1255 2.036,1256 1.166,1257 2.032,1258 1.882,1259 1.862,1260 1.972,1261 1.994,1262 1.071,1263 1.993,1264 1.704,1265 1.685,1266 1.758,1267 1.875,1268 0.837,1269 1.852,1270 1.287,1271 1.237,1272 1.589,1273 1.567,1274 0.631,1275 1.569,1276 1.217,1277 1.154,1278 1.549,1279 1.504,1280 0.583,1281 1.518,1282 1.157,1283 1.078,1284 1.464,1285 1.425,1286 0.559,1287 1.446,1288 1.054,1289 1.004,1290 1.211,1291 1.32,1292 0.228,1293 1.308,1294 0.886,1295 0.821,1296 1.181,1297 1.074,1298 0.218,1299 1.107,1300 4.111,1302 5.416,1304 6.929,1306 8.536,1308 10.193,1310 3.074,1315 0.266,1317 5.502,1318 10.47,1321 1.352,1326 31.325,1327 81.162,1328 170.536,1329 204.801,1330 230.801,1331 235.556,1332 241.556,1333 60.349,1334 7.191,1335 85.35,1336 117.44,1337 18,1338 12.443,1339 4.087,1340 3.459,1341 49.612,1342 109,1343 118,1344 0.218,1345 198.662,1346 355.95,1347 476.495,1348 12477,1350 20.096,1351 0.718,1352 0.579,1353 20.596,1354 16.208,1355 13.528,1356 0.451,1357 0.295,1358 8.294,1359 12.633,1360 8.028,1361 6.711,1362 13.817,1363 8.838,1364 11.71,1365 0.286,1366 0.153,1367 12.081,1368 6.291,1369 10.107,1370 0.187,1371 0.083,1372 10.439,1373 4.472,1374 8.173,1375 0.122,1376 0.043,1377 8.579,1378 2.911,1379 6.258,1380 0.076,1381 0.024,1382 6.513,1383 1.935,1384 0.342,1385 88.842,1386 0.226,1387 26.737,1388 0.601,1389 142,1390 490.113,1391 172.687,1392 485.616,1393 644.41,1394 452,1395 166,1396 444.482,1397 193.204,1398 459.283,1399 667.26,1400 427,1401 5.562}
{0 CHEMBL1392611,1 1.571,2 10.96,3 3.501,4 12.255,5 92.58,6 7.87,7 0.444,8 3.865,9 3.961,10 3.472,11 3.399,12 5.057,13 3.401,14 4.369,15 4.517,16 3.838,17 3.742,18 5.582,19 3.737,20 4.544,21 4.678,22 3.948,23 3.865,24 5.806,25 3.862,26 4.67,27 4.825,28 3.816,29 3.868,30 5.873,31 3.826,32 4.672,33 4.884,34 3.678,35 3.791,36 5.815,37 3.714,38 4.543,39 4.756,40 3.528,41 3.568,42 5.761,43 3.508,44 4.345,45 4.566,46 3.32,47 3.384,48 5.5,49 3.324,50 4.147,51 4.363,52 3.28,53 3.334,54 5.231,55 3.284,56 0.063,57 0.584,58 7.765,59 3.952,60 7.454,61 4.646,62 0.342,63 0.911,64 15.425,65 6.446,66 32.613,67 7.946,68 0.413,69 1.064,70 18.145,71 7.275,72 43.27,73 8.572,74 0.629,75 1.122,76 22.584,77 8.423,78 56.888,79 9.757,80 0.456,81 1.114,82 24.206,83 8.895,84 56.252,85 11.416,86 0.523,87 0.942,88 22.141,89 7.488,90 69.256,91 9.495,92 0.567,93 0.784,94 18.676,95 5.78,96 63.818,97 7.375,98 0.291,99 0.682,100 14.48,101 5.012,102 33.998,103 6.494,104 26,105 38,106 0.273,107 0.636,108 0.765,109 0.853,110 0.877,111 0.877,112 3.267,113 0.872,114 -3.97,115 -3.92,116 -3.72,120 44.2,121 3,126 1,137 2,143 5,144 2,145 2,146 1,148 1,159 2,174 9,176 1,177 8,180 2,182 1,185 9,188 1,189 9,192 1,194 1,197 9,200 2,201 7,206 1,209 7,213 1,214 7,219 2,222 4,226 1,227 7,232 2,235 1,239 1,240 5,243 1,245 1,247 2,252 3,257 1,260 4,263 2,264 4,267 1,269 2,271 5,274 900,275 16.552,276 16.552,277 16.552,278 16.552,279 16.552,280 14.398,281 17.701,282 9.648,283 16.844,284 13.253,285 13.253,286 13.253,287 13.253,288 13.253,289 10.043,290 22.184,291 4.565,292 13.719,293 3.855,294 1.766,295 1.026,296 0.518,297 0.378,298 0.378,299 3.944,305 1,306 1,307 1,308 583,309 3.162,313 222.195,317 114.403,320 1.645,321 30.058,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55,333 274,334 4.615,335 3.779,336 6.848,337 4.231,338 3.255,339 4.287,340 2.03,341 11.256,342 3.177,343 4.149,344 3.622,345 6.25,346 3.75,347 2.771,348 3.629,349 1.674,350 9.024,351 2.708,352 3.961,353 3.237,354 5.646,355 3.575,356 2.616,357 3.476,358 0.892,359 7.404,360 2.502,361 3.573,362 2.799,363 5.483,364 3.215,365 2.233,366 2.829,367 0.141,368 7.096,369 2.18,370 3.491,371 2.546,372 5.193,373 3.116,374 2.126,375 2.718,377 6.026,378 2.094,379 3.295,380 2.453,381 4.803,382 2.881,383 1.939,384 2.486,386 5.42,387 1.803,388 2.86,389 1.777,390 4.29,391 2.397,392 1.419,393 2.001,395 3.573,396 1.384,397 2.84,398 1.56,399 3.594,400 2.362,401 1.365,402 1.903,404 3.028,405 1.354,406 2.5,407 1.518,408 3.369,409 1.958,410 1,411 1.5,413 2.136,414 0.956,415 1.967,416 1.223,417 3.247,418 1.697,419 0.791,420 0.885,422 1.861,423 0.705,424 1.614,425 1,426 3.157,427 1.375,428 0.374,429 0.413,431 0.855,432 0.368,433 1.408,434 0.898,435 3.008,436 1.132,437 0.176,438 0.208,440 0.442,441 0.166,442 1.179,443 0.516,444 2.708,445 0.826,446 -0.13,447 -0.156,449 -0.327,450 -0.123,451 1.04,452 0.313,453 2.32,454 0.671,455 -0.323,456 -0.418,458 -0.738,459 -0.314,460 0.587,461 -0.021,462 2.162,463 0.155,464 -0.84,465 -1.07,467 -2.201,468 -0.82,469 11.633,470 0.465,471 0.703,472 0.028,473 34,474 1.36,475 18,476 0.72,477 16,478 0.64,479 19.036,480 0.761,481 26.767,482 0.622,483 25.009,484 1,485 6.958,486 0.278,487 5.012,488 0.2,489 0.186,491 0.387,496 0.745,497 1.246,498 0.721,499 1.107,500 0.591,501 0.94,502 0.743,503 0.969,504 0.679,505 0.911,506 0.557,507 0.806,508 1.078,509 1.11,510 0.965,511 1.09,512 0.969,513 1.01,514 1.414,515 1.058,516 1.283,517 1.109,518 1.106,519 1.164,520 1.038,521 1.036,522 1.043,523 1.109,524 1.109,525 1.088,526 1.238,527 1.065,528 1.053,529 1.058,530 1.435,531 1.03,532 1.312,533 0.784,534 1.097,535 0.764,536 1.37,537 0.86,538 1.1,539 0.917,540 0.884,541 0.778,542 0.984,543 0.784,544 5,545 0.124,546 3.333,547 2,548 1.911,549 0.75,550 0.485,551 0.283,552 0.243,553 0.162,554 7271,555 21466,556 2.015,557 41.9,558 9,559 7,561 1,562 1,567 1.676,568 1.852,569 3.403,570 -0.317,572 1,574 1,575 67.56,576 1.571,577 3.66,578 4.4,579 4.908,580 5.048,581 5.048,582 2.855,583 4.244,584 4.616,585 3.565,586 1069.44,587 7.962,588 13137.4,590 1,592 1,593 233.329,594 1.516,595 4.555,596 0.185,597 0.008,598 0.088,599 0.049,600 0.056,601 0.026,602 0.02,603 0.014,604 0.012,605 0.008,606 0.465,607 0.33,608 1,609 0.65,610 121.588,611 -0.044,612 -0.125,613 0.044,614 -0.071,615 -0.068,616 -0.006,617 0.159,618 0.081,619 0.21,620 0.09,621 0.106,622 0.145,623 -0.01,624 -0.05,625 -0.067,626 -0.113,627 -0.027,628 -0.099,629 -0.16,630 -0.084,631 -0.316,632 -0.134,633 -0.118,634 -0.24,635 -0.053,636 -0.106,637 -0.042,638 -0.126,639 -0.035,640 -0.09,641 -0.044,642 -0.164,643 0.002,644 -0.096,645 -0.056,646 -0.049,647 -0.064,648 0.156,649 -0.025,650 0.172,651 -0.123,652 0.099,653 -0.131,654 0.047,655 0.12,656 0.194,657 -0.07,658 0.207,659 2.029,660 4.964,661 0.64,662 22.24,663 1.014,664 1.12,665 2.738,666 7.497,667 0.673,668 3.332,669 3.664,670 3.932,671 4.143,672 4.369,673 4.394,674 4.419,675 4.454,676 4.5,677 4.394,678 6.419,679 0.654,680 338.39,681 3.332,682 4.875,683 5.727,684 6.603,685 7.473,686 8.355,687 9.233,688 10.12,689 11.004,690 11.895,691 4.7,698 1,701 1,709 6,710 1,714 5,716 12,735 1,738 43,739 15,740 1,741 27,743 45,744 19,745 11,746 4,747 2,748 3,752 3,753 4,759 3,768 15,769 4,772 3,778 2,782 4,785 1,786 1,789 18,790 6,791 1,792 6,797 2,803 0.667,804 4,816 1,823 3,827 1,838 1,841 1,846 2,855 2,859 3,862 25,869 1,871 1,872 2,886 9.3,889 2,891 2,893 13.5,894 8.867,895 5.5,896 2.478,898 2.52,899 1.357,900 0.964,901 4.863,902 9.587,903 3.611,904 4.205,905 4.732,906 5.236,907 5.755,908 5.929,909 6.184,910 6.43,911 6.613,912 6.515,913 1,914 41,915 9.236,917 3.897,918 7.94,919 17.187,921 13.618,924 2.44,925 61,928 1,929 200.109,930 124.95,931 34.796,933 72.29,936 124.95,937 272.398,938 34.796,939 26.476,940 22.603,941 47.381,942 90.742,943 54.276,944 2.328,945 188.338,947 200.109,948 159.746,949 72.29,952 200.109,953 72.29,956 58.126,957 84.834,958 16.786,960 200.109,961 107.086,962 124.95,965 200.109,966 42.045,967 82.904,968 18.011,969 89.075,970 200.109,971 107.086,972 124.95,973 0.588,974 0.35,975 0.178,976 0.097,977 18,978 9,979 0.089,980 4,981 1,982 1.125,983 3.671,984 201.501,985 0.125,986 16,987 116.096,993 17.183,994 7.076,995 3.566,997 107.086,998 10.443,999 4.023,1003 2.984,1005 18.011,1006 432.144,1007 36,1013 23.872,1017 0.794,1020 43.582,1021 48.156,1022 0.29,1023 0.675,1024 0.811,1025 0.905,1026 0.93,1027 0.93,1028 4.852,1029 1.365,1030 5.727,1031 3.573,1032 4.344,1033 4.89,1034 2.728,1035 6.55,1036 4.278,1037 6.074,1038 1,1039 7.305,1040 3.028,1041 4.007,1042 4.758,1043 1.593,1044 7.486,1045 3.945,1046 7.395,1047 0.791,1048 8.984,1049 2.136,1050 5.953,1051 7.067,1052 3.736,1053 10.607,1054 5.828,1055 8.75,1056 0.374,1057 10.722,1058 1.861,1059 6.415,1060 7.712,1061 3.201,1062 12.355,1063 6.293,1064 10.134,1065 0.176,1066 12.498,1067 0.855,1068 7.857,1069 9.532,1070 4.894,1071 15.027,1072 7.684,1073 11.541,1074 -0.13,1075 14.299,1076 0.442,1077 8.687,1078 10.549,1079 4.75,1080 17.129,1081 8.508,1082 12.965,1083 -0.323,1084 16.12,1085 -0.327,1086 9.941,1087 12.165,1088 6.128,1089 19.643,1090 9.724,1091 3.255,1092 -0.84,1093 17.956,1094 -0.738,1095 10.946,1096 13.379,1097 6.248,1098 21.912,1099 10.716,1100 2.771,1101 11.256,1102 19.805,1103 -2.201,1104 12.131,1105 14.901,1106 7.41,1107 24.365,1108 11.871,1109 2.616,1110 9.024,1111 21.663,1112 4.287,1113 13.22,1114 16.22,1115 7.714,1116 26.712,1117 12.942,1118 2.233,1119 7.404,1120 23.53,1121 3.629,1122 14.384,1123 17.698,1124 8.728,1125 29.142,1126 14.08,1127 2.126,1128 7.096,1129 25.405,1130 3.476,1131 15.513,1132 19.076,1133 9.16,1134 31.525,1135 15.188,1136 1.939,1137 6.026,1138 27.286,1139 2.829,1140 16.675,1141 20.535,1142 10.074,1143 33.947,1144 16.325,1145 1.419,1146 5.42,1147 29.172,1148 2.718,1149 17.825,1150 21.945,1151 10.594,1152 36.348,1153 17.453,1154 7088,1155 12319,1156 17.512,1157 28.921,1158 40.542,1159 42.537,1160 42.218,1161 40.091,1162 40.129,1163 52.668,1164 9.476,1165 116.24,1166 38.795,1167 5.513,1168 5.779,1169 6.65,1170 5.326,1171 5.255,1172 7.287,1173 3.705,1174 18.9,1175 5.177,1176 13.973,1177 1.502,1178 1.575,1179 1.564,1180 1.485,1181 1.486,1182 1.951,1183 0.351,1184 4.305,1185 1.437,1186 4.026,1187 4.035,1188 3.991,1189 3.947,1190 7.434,1191 3.955,1192 3.871,1193 3.917,1194 3.815,1195 3.743,1196 7.428,1197 3.753,1198 3.647,1199 3.671,1200 3.579,1201 3.527,1202 4.913,1203 3.531,1204 3.489,1205 3.523,1206 3.41,1207 3.27,1208 4.868,1209 3.302,1210 3.204,1211 3.266,1212 3.077,1213 3.033,1214 4.487,1215 3.024,1216 3.077,1217 3.172,1218 2.862,1219 2.864,1220 4.143,1221 2.844,1222 3.004,1223 3.053,1224 2.851,1225 2.758,1226 4.049,1227 2.769,1228 2.923,1229 2.99,1230 2.717,1231 2.691,1232 3.91,1233 2.702,1234 0.171,1235 0.14,1236 0.254,1237 0.157,1238 0.121,1239 4.615,1240 0.159,1241 3.779,1242 0.075,1243 6.848,1244 0.417,1245 4.231,1246 0.118,1247 3.255,1248 4.287,1249 2.03,1250 11.256,1251 3.177,1252 1.973,1253 1.963,1254 2.056,1255 2.069,1256 1.227,1257 2.062,1258 1.822,1259 1.781,1260 1.94,1261 1.978,1262 0.947,1263 1.967,1264 1.616,1265 1.587,1266 1.806,1267 1.775,1268 0.929,1269 1.778,1270 1.401,1271 1.366,1272 1.6,1273 1.644,1274 0.729,1275 1.634,1276 1.205,1277 1.135,1278 1.549,1279 1.425,1280 0.613,1281 1.468,1282 1.103,1283 1.005,1284 1.497,1285 1.36,1286 0.555,1287 1.413,1288 0.913,1289 0.865,1290 1.168,1291 1.242,1292 0.224,1293 1.202,1294 0.869,1295 0.817,1296 1.097,1297 1.151,1298 0.125,1299 1.148,1300 4.007,1302 5.333,1304 6.862,1306 8.488,1308 10.168,1310 5.42,1315 -0.169,1317 2.646,1318 10.988,1326 28.116,1327 67.56,1328 157.401,1329 189.19,1330 211.065,1331 217.065,1332 217.065,1333 47.291,1334 7.067,1335 81.43,1336 81.43,1337 18,1338 12.425,1339 4,1340 3.322,1341 42.007,1342 96,1343 96,1344 0.214,1345 174.072,1346 311.78,1347 416.495,1348 10797,1350 17.974,1351 0.719,1352 0.57,1353 17.974,1354 14.251,1355 11.969,1356 0.443,1357 0.291,1358 7.722,1359 11.46,1360 7.423,1361 6.211,1362 11.969,1363 7.844,1364 10.878,1365 0.286,1366 0.151,1367 10.878,1368 5.757,1369 9.377,1370 0.188,1371 0.082,1372 9.377,1373 4.115,1374 7.233,1375 0.117,1376 0.041,1377 7.233,1378 2.54,1379 5.765,1380 0.074,1381 0.021,1382 5.765,1383 1.647,1384 0.339,1385 75.557,1386 0.239,1387 24.474,1388 0.575,1389 130,1390 442.92,1391 146.119,1392 417.644,1393 564.29,1394 390,1395 153,1396 411.718,1397 168.955,1398 413.212,1399 603.88,1400 387,1401 6.796}
{0 CHEMBL1392956,1 1.79,2 12.04,3 4.613,4 21.28,5 105.251,6 9.389,7 0.407,8 3.837,9 3.936,10 3.606,11 3.462,12 4.946,13 3.42,14 4.39,15 4.553,16 4.01,17 3.855,18 5.417,19 3.792,20 4.652,21 4.846,22 4.22,23 4.039,24 5.707,25 3.913,26 4.658,27 4.857,28 3.988,29 4.027,30 5.648,31 3.853,32 4.627,33 4.857,34 3.86,35 3.873,36 5.591,37 3.724,38 4.426,39 4.639,40 3.833,41 3.739,42 5.52,43 3.601,44 4.193,45 4.39,46 3.665,47 3.612,48 5.296,49 3.443,50 4.031,51 4.183,52 3.703,53 3.539,54 5.145,55 3.381,56 0.036,57 0.574,58 5.489,59 3.496,60 8.355,61 4.313,62 0.193,63 0.993,64 14.312,65 6.17,66 15.531,67 7.417,68 0.472,69 1.213,70 29.738,71 9.492,72 43.84,73 11.056,74 0.311,75 1.229,76 32.167,77 11.462,78 44.573,79 13.011,80 0.442,81 1.161,82 33.511,83 10.971,84 48.054,85 12.495,86 0.404,87 0.953,88 21.515,89 7.735,90 44.76,91 9.11,92 0.223,93 0.818,94 21.34,95 6.962,96 34.315,97 7.602,98 0.196,99 0.658,100 19.089,101 6.029,102 23.067,103 6.319,104 20,105 37,106 0.313,107 0.594,108 0.707,109 0.827,110 0.844,111 0.844,112 3.266,113 1.021,114 -4.15,115 -4.09,116 -3.87,120 42.9,122 1,126 5,143 5,144 1,145 2,153 2,159 2,174 4,177 5,185 5,188 2,189 3,197 9,200 1,201 2,209 5,214 3,222 2,226 1,227 4,235 2,239 1,240 2,247 1,252 3,260 1,264 3,271 1,274 946,275 16.87,276 16.87,277 16.87,278 16.87,279 16.87,280 15.236,281 14.739,282 10.019,283 17.398,284 13.249,285 13.249,286 13.249,287 13.249,288 13.249,289 10.702,290 15.73,291 4.704,292 14.266,293 3.602,294 1.996,295 1.353,296 0.667,297 0.571,298 0.571,299 3.946,303 2,306 1,307 1,308 636,309 3.082,312 74.654,313 177.861,320 2.045,321 22.543,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 53.167,333 301,334 4.406,335 4.038,336 6.437,337 4.025,338 3.062,339 4.081,340 2.308,341 9.901,342 2.969,343 4.189,344 3.894,345 6.181,346 3.8,347 2.875,348 3.742,349 1.26,350 9.117,351 2.656,352 3.864,353 3.319,354 5.806,355 3.507,356 2.598,357 3.186,358 0.8,359 7.774,360 2.348,361 3.579,362 2.874,363 5.399,364 3.338,365 2.425,366 2.638,367 0.305,368 7.043,369 2.132,370 3.442,371 2.793,372 5.122,373 2.94,374 1.995,375 2.397,377 6.047,378 1.848,379 3.219,380 2.266,381 4.335,382 2.436,383 1.47,384 1.99,386 3.902,387 1.407,388 2.821,389 2.158,390 4.033,391 2.31,392 1.414,393 1.948,395 3.501,396 1.25,397 2.72,398 2.023,399 3.626,400 2.27,401 1.318,402 1.735,404 2.679,405 1.189,406 2.292,407 1.617,408 3.414,409 1.967,410 1,411 1.117,413 2.275,414 0.965,415 2.141,416 1.256,417 3.383,418 1.74,419 0.787,420 1,422 1.94,423 0.735,424 2,425 1.146,426 3.255,427 1.567,428 0.618,429 0.901,431 1.517,432 0.58,433 1.83,434 0.736,435 2.632,436 1.203,437 0.279,438 0.375,440 0.467,441 0.255,442 1.358,443 0.611,444 2.477,445 0.839,446 0.084,447 0.102,449 0.184,450 0.051,451 0.783,452 0.367,453 2.373,454 0.461,455 -0.477,456 -0.564,458 -0.92,459 -0.432,460 0.747,461 -0.091,462 2.15,463 0.255,464 -0.629,465 -0.809,467 -1.664,468 -0.445,469 12.795,470 0.512,471 0.592,472 0.024,473 30.75,474 1.23,475 14.5,476 0.58,477 16.25,478 0.65,479 21.621,480 0.865,481 26.205,482 0.624,483 20.823,484 0.833,485 6.016,486 0.241,487 6.063,488 0.243,489 0.208,491 0.297,496 0.725,497 1.297,498 0.511,499 0.829,500 0.456,501 0.849,502 1.012,503 1.066,504 0.615,505 0.75,506 0.493,507 0.81,508 0.991,509 0.809,510 0.78,511 0.803,512 0.726,513 0.896,514 0.9,515 1.072,516 1.061,517 1.224,518 0.886,519 1.129,520 0.948,521 0.973,522 0.841,523 1.031,524 0.768,525 0.917,526 0.987,527 0.914,528 0.757,529 0.79,530 1.246,531 0.905,532 0.936,533 1.046,534 1.236,535 1.206,536 1.445,537 1.054,538 0.925,539 1.138,540 1.066,541 1.243,542 0.819,543 1.123,544 5,545 0.111,546 3.333,547 1.313,548 1.291,549 0.803,550 0.597,551 0.314,552 0.191,553 0.167,554 7438,555 26071,556 2.038,557 40.5,559 15,563 2,567 1.675,568 1.899,569 3.545,570 -0.711,575 75.177,576 1.79,577 3.396,578 4.039,579 4.726,580 4.821,581 4.821,582 3.083,583 4.374,584 4.608,585 3.68,586 1103.94,587 7.948,588 13695.1,590 1,593 226.477,594 1.44,595 4.569,596 0.185,597 0.007,598 0.09,599 0.035,600 0.04,601 0.028,602 0.023,603 0.014,604 0.009,605 0.009,606 0.441,607 0.33,608 1,609 1.166,610 122.551,611 -0.024,612 -0.239,613 0.013,614 -0.079,615 0.068,616 -0.035,617 -0.114,618 0.01,619 0.039,620 0.052,621 0.03,622 0.045,623 0.025,624 0.201,625 0.097,626 0.121,627 0.063,628 0.045,629 -0.048,630 -0.092,631 -0.106,632 -0.13,633 -0.069,634 -0.112,635 0.041,636 -0.025,637 0.044,638 0.029,639 -0.013,640 0.116,641 0.048,642 0.067,643 0.076,644 0.139,645 -0.113,646 0.059,647 -0.11,648 0.048,649 -0.147,650 -0.065,651 -0.234,652 -0.061,653 -0.034,654 -0.093,655 -0.029,656 -0.104,657 -0.043,658 -0.149,659 1.173,660 2.679,661 0.68,662 25.888,663 1.01,664 1.115,665 2.916,666 8.505,667 0.736,668 3.332,669 3.638,670 3.892,671 4.078,672 4.277,673 4.357,674 4.419,675 4.477,676 4.543,677 4.564,678 6.762,679 0.687,680 394.35,681 3.332,682 4.86,683 5.7,684 6.561,685 7.421,686 8.288,687 9.155,688 10.026,689 10.897,690 11.77,691 7.1,694 1,698 1,700 1,709 5,712 1,714 5,716 11,737 2,738 42,739 13,740 1,741 27,743 44,744 18,745 10,746 3,747 3,748 1,752 3,753 3,754 2,766 1,767 1,768 11,769 6,772 1,779 1,782 1,786 1,788 1,789 17,790 4,792 7,793 3,797 3,803 1,804 1,822 1,823 2,833 1,851 1,855 3,857 1,860 2,862 25,869 6,875 2,877 1,882 1,884 1,885 2,886 2.4,891 1,893 13.167,894 7.636,895 5.611,896 2.581,898 2.193,899 1.31,900 0.97,901 6.236,902 9.26,903 3.597,904 4.107,905 4.626,906 5.103,907 5.528,908 5.845,909 6.112,910 6.431,911 6.748,912 6.881,913 1,914 37,915 9.183,917 3.825,918 7.776,919 17.58,921 14.292,924 2.276,925 56.889,928 1,929 200.109,930 144.036,931 37.308,932 78.297,933 9.507,935 45.192,936 98.844,937 287.913,938 37.308,940 16.187,941 47.381,942 17.315,943 53.878,944 10.898,945 200.109,946 123.489,947 200.109,948 136.152,949 9.507,950 123.489,952 200.109,953 9.507,956 50.371,957 85.781,958 78.297,959 45.192,960 200.109,961 46.815,962 222.333,965 200.109,966 34.861,967 53.63,968 16.602,969 164.056,970 200.109,971 46.815,972 222.333,973 0.577,974 0.338,975 0.166,976 0.092,977 17,978 8,979 0.091,980 4,982 1,983 3.755,984 197.567,986 17,987 112.096,990 1,993 18.529,994 8.414,995 4.478,997 46.815,998 9.185,1001 5.93,1003 3.269,1006 469.257,1007 35.5,1014 5.591,1017 0.714,1020 42.425,1021 46.834,1022 0.332,1023 0.63,1024 0.749,1025 0.876,1026 0.894,1027 0.894,1028 4.842,1029 1.318,1030 5.68,1031 3.501,1032 4.317,1033 4.792,1034 2.761,1035 6.466,1036 4.177,1037 6.033,1038 1,1039 7.232,1040 2.679,1041 3.892,1042 4.527,1043 0.57,1044 7.318,1045 3.593,1046 7.327,1047 0.787,1048 8.883,1049 2.275,1050 5.894,1051 6.888,1052 4.137,1053 10.383,1054 5.641,1055 8.652,1056 0.618,1057 10.589,1058 1.94,1059 6.293,1060 7.487,1061 0.846,1062 12.03,1063 5.905,1064 10.007,1065 0.279,1066 12.331,1067 1.517,1068 7.749,1069 9.294,1070 5.738,1071 14.6,1072 7.391,1073 11.383,1074 0.084,1075 14.095,1076 0.467,1077 8.511,1078 10.286,1079 1.206,1080 16.572,1081 8.056,1082 12.775,1083 -0.477,1084 15.876,1085 0.184,1086 9.751,1087 11.869,1088 7.392,1089 18.963,1090 9.302,1091 3.062,1092 -0.629,1093 17.668,1094 -0.92,1095 10.683,1096 13.052,1097 1.648,1098 21.087,1099 10.168,1100 2.875,1101 9.901,1102 19.468,1103 -1.664,1104 11.832,1105 14.533,1106 9.06,1107 23.407,1108 11.309,1109 2.598,1110 9.117,1111 21.276,1112 4.081,1113 12.846,1114 15.812,1115 2.135,1116 25.604,1117 12.277,1118 2.425,1119 7.774,1120 23.09,1121 3.742,1122 13.96,1123 17.246,1124 10.732,1125 27.895,1126 13.374,1127 1.995,1128 7.043,1129 24.908,1130 3.186,1131 15.014,1132 18.576,1133 2.64,1134 30.13,1135 14.393,1136 1.47,1137 6.047,1138 26.729,1139 2.638,1140 16.114,1141 19.987,1142 12.404,1143 32.41,1144 15.473,1145 1.414,1146 3.902,1147 28.555,1148 2.397,1149 17.19,1150 21.345,1151 3.149,1152 34.665,1153 16.519,1154 7323,1155 13866,1156 17.8,1157 30.926,1158 41.538,1159 44.555,1160 41.688,1161 40.163,1162 39.848,1163 50.425,1164 9.347,1165 112.691,1166 36.771,1167 5.406,1168 6.038,1169 6.301,1170 5.093,1171 5.062,1172 7.081,1173 4.616,1174 16.766,1175 4.969,1176 13.101,1177 1.538,1178 1.65,1179 1.544,1180 1.488,1181 1.476,1182 1.868,1183 0.346,1184 4.174,1185 1.362,1186 4.026,1187 4.037,1188 4.145,1189 3.945,1190 6.818,1191 3.945,1192 3.854,1193 3.912,1194 4.02,1195 3.736,1196 5.137,1197 3.724,1198 3.731,1199 3.748,1200 3.709,1201 3.596,1202 4.994,1203 3.603,1204 3.523,1205 3.587,1206 3.577,1207 3.369,1208 4.632,1209 3.365,1210 3.133,1211 3.206,1212 3.4,1213 3.111,1214 4.49,1215 3.031,1216 3.111,1217 3.182,1218 3.358,1219 2.941,1220 4.271,1221 2.91,1222 2.886,1223 2.922,1224 3.156,1225 2.804,1226 4.154,1227 2.776,1228 2.87,1229 2.918,1230 2.866,1231 2.756,1232 3.752,1233 2.737,1234 0.163,1235 0.15,1236 0.238,1237 0.149,1238 0.113,1239 4.406,1240 0.151,1241 4.038,1242 0.085,1243 6.437,1244 0.367,1245 4.025,1246 0.11,1247 3.062,1248 4.081,1249 2.308,1250 9.901,1251 2.969,1252 1.895,1253 1.884,1254 1.993,1255 2.019,1256 1.315,1257 2.02,1258 1.804,1259 1.742,1260 1.949,1261 1.954,1262 1.092,1263 1.964,1264 1.563,1265 1.527,1266 1.743,1267 1.728,1268 0.989,1269 1.74,1270 1.445,1271 1.395,1272 1.603,1273 1.572,1274 0.825,1275 1.588,1276 1.277,1277 1.279,1278 1.513,1279 1.46,1280 0.711,1281 1.432,1282 1.153,1283 1.064,1284 1.305,1285 1.376,1286 0.431,1287 1.429,1288 0.912,1289 0.847,1290 1.145,1291 1.198,1292 0.274,1293 1.183,1294 0.867,1295 0.824,1296 1.077,1297 1.013,1298 0.158,1299 1.056,1300 4.007,1302 5.313,1303 2.398,1304 6.81,1305 4.595,1306 8.39,1307 6.605,1308 10.013,1311 12.029,1315 4.874,1321 4.432,1324 8.679,1325 2.187,1326 28.836,1327 75.177,1328 142.629,1329 169.648,1330 198.477,1331 202.477,1332 202.477,1333 42.305,1334 7.067,1335 43.41,1336 75.5,1337 17,1338 12.311,1339 3.807,1340 3.248,1341 42.047,1342 100,1343 119,1344 0.206,1345 190.009,1346 330.68,1347 455.382,1348 10659,1349 4.8,1350 17.811,1351 0.712,1352 0.635,1353 19.311,1354 15.872,1355 12.08,1356 0.447,1357 0.34,1358 8.021,1359 10.909,1360 7.763,1361 6.338,1362 12.946,1363 9.185,1364 10.643,1365 0.288,1366 0.19,1367 11.718,1368 7.036,1369 9.164,1370 0.191,1371 0.113,1372 10.55,1373 5.419,1374 6.856,1375 0.118,1376 0.058,1377 7.56,1378 3.386,1379 5.397,1380 0.076,1381 0.032,1382 6.026,1383 2.272,1384 0.329,1385 84.073,1386 0.237,1387 24.671,1388 0.548,1389 128,1390 387.938,1391 181.804,1392 459.72,1393 595.13,1394 426,1395 149,1396 368.708,1397 199.067,1398 399.88,1399 584.39,1400 376,1401 5.429}
{0 CHEMBL1393294,1 1.617,2 8.609,3 4.061,4 16.488,5 92.867,6 8.319,7 0.48,8 3.754,9 3.853,10 3.472,11 3.42,12 4.922,13 3.363,14 4.245,15 4.395,16 3.889,17 3.785,18 5.387,19 3.717,20 4.422,21 4.567,22 3.973,23 3.844,24 5.707,25 3.785,26 4.486,27 4.681,28 3.84,29 3.825,30 5.638,31 3.733,32 4.449,33 4.623,34 3.848,35 3.779,36 5.702,37 3.694,38 4.473,39 4.665,40 3.751,41 3.759,42 5.783,43 3.651,44 4.376,45 4.575,46 3.549,47 3.697,48 5.552,49 3.58,50 4.225,51 4.38,52 3.292,53 3.55,54 5.47,55 3.433,56 0.032,57 0.529,58 6.869,59 3.666,60 4.879,61 4.373,62 0.108,63 0.869,64 14.291,65 6.207,66 13.35,67 7.584,68 0.268,69 1.049,70 18.336,71 6.9,72 36.595,73 7.766,74 0.226,75 1.12,76 21.045,77 7.783,78 27.539,79 9.123,80 0.202,81 1.038,82 19.998,83 7.578,84 36.038,85 8.376,86 0.378,87 1.04,88 24.385,89 8.537,90 73.182,91 9.142,92 0.217,93 0.928,94 22.455,95 8.182,96 38.813,97 9.155,98 0.209,99 0.728,100 13.427,101 6.101,102 49.766,103 6.892,104 27,105 36,106 0.287,107 0.589,108 0.699,109 0.835,110 0.872,111 0.872,112 3.189,113 0.968,114 -4.88,115 -4.78,116 -4.49,120 46.2,121 3,143 7,144 3,145 2,158 1,159 2,167 1,174 10,176 1,177 6,185 13,188 2,189 10,197 10,200 1,201 11,209 5,214 11,222 6,226 1,227 8,235 7,240 6,247 11,252 3,260 14,264 1,271 9,274 695,275 15.137,276 15.137,277 15.137,278 15.137,279 15.137,280 13.138,281 14.509,282 8.741,283 15.344,284 12.301,285 12.301,286 12.301,287 12.301,288 12.301,289 9.265,290 16.661,291 4.116,292 12.666,293 3.668,294 1.964,295 1.338,296 0.571,297 0.366,298 0.366,299 3.863,305 1,306 1,307 1,308 422,309 3.24,312 48.556,313 140.653,316 95.617,320 1.191,321 23.656,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 49,333 198,334 4.519,335 4.695,336 6.712,337 4.156,338 3.196,339 4.088,340 3.37,341 10.847,342 3.071,343 4.346,344 3.702,345 6.585,346 4.013,347 3.039,348 3.944,349 1.907,350 10.361,351 2.958,352 3.842,353 3.387,354 5.616,355 3.474,356 2.481,357 3.218,358 0.149,359 7.292,360 2.458,361 3.594,362 3.088,363 5.427,364 3.124,365 2.152,366 2.912,368 6.587,369 2.08,370 3.338,371 2.978,372 4.898,373 2.969,374 1.961,375 2.573,377 5.397,378 1.972,379 3.094,380 2.395,381 4.802,382 2.63,383 1.705,384 2.219,386 5.016,387 1.547,388 2.873,389 1.93,390 4.166,391 2.427,392 1.426,393 2.018,395 3.585,396 1.416,397 2.82,398 1.802,399 3.695,400 2.354,401 1.371,402 1.938,404 3.011,405 1.341,406 2.444,407 1.321,408 3.563,409 1.932,410 0.903,411 1.285,413 2.242,414 0.924,415 2.026,416 1.277,417 3.336,418 1.654,419 0.681,420 0.86,422 1.662,423 0.645,424 1.358,425 0.794,426 2.842,427 0.966,428 0.016,429 0.02,431 0.041,432 0.015,433 1.06,434 0.515,435 2.359,436 0.62,437 -0.367,438 -0.5,440 -0.893,441 -0.352,442 0.796,443 0.336,444 2.337,445 0.485,446 -0.515,447 -0.621,449 -1.243,450 -0.515,451 0.704,452 -0.073,453 2.137,454 0.211,455 -0.779,456 -1.038,458 -1.947,459 -0.746,460 0.543,461 -0.165,462 2,463 0.102,464 -0.919,465 -1.187,467 -2,468 -0.878,469 11.3,470 0.491,471 0.703,472 0.031,473 31.25,474 1.359,475 17.5,476 0.761,477 13.75,478 0.598,479 17.966,480 0.781,481 23.5,482 0.603,483 22.267,484 0.968,485 6.195,486 0.269,487 4.774,488 0.208,489 0.192,491 0.389,496 0.509,497 0.984,498 0.699,499 0.867,500 0.537,501 0.861,502 0.542,503 1.068,504 0.665,505 0.852,506 0.546,507 0.767,508 1.069,509 1.245,510 0.967,511 1.064,512 1.034,513 0.982,514 1.018,515 1.079,516 1.018,517 0.971,518 0.804,519 0.941,520 1.347,521 1.145,522 1.041,523 1.081,524 1.31,525 1.032,526 1.47,527 0.878,528 1.284,529 1.014,530 1.419,531 0.906,532 1.236,533 0.847,534 1.299,535 1.105,536 1.187,537 0.962,538 1.717,539 1.015,540 1.118,541 1.048,542 2.019,543 1.318,544 5,545 0.038,546 3.111,547 2.451,548 1.396,549 0.9,550 0.736,551 0.393,552 0.191,553 0.11,554 5088,555 14173,556 2.016,557 41,558 6,559 7,563 3,567 1.662,568 1.84,569 3.092,570 -0.772,572 1,575 63.072,576 1.617,577 3.322,578 3.947,579 4.715,580 4.92,581 4.92,582 2.468,583 4.263,584 4.499,585 3.213,586 812.832,587 7.77,588 9043.84,590 1,591 1,592 1,593 206.131,594 1.538,595 4.428,596 0.2,597 0.009,598 0.086,599 0.066,600 0.042,601 0.029,602 0.025,603 0.015,604 0.01,605 0.01,606 0.494,607 0.33,608 1,609 0.872,610 105.796,611 0.07,612 0.043,613 0.066,614 0.037,615 -0.056,616 0.018,617 0.165,618 -0.043,619 0.255,620 0.114,621 0.055,622 0.168,623 0.072,624 -0.163,625 0.002,626 -0.116,627 0.001,628 -0.106,629 -0.033,630 -0.004,631 -0.021,632 -0.015,633 0.017,634 -0.011,635 -0.12,636 -0.112,637 -0.028,638 -0.109,639 -0.083,640 -0.114,641 -0.067,642 0.138,643 -0.093,644 0.067,645 0.049,646 0.06,647 -0.147,648 0.117,649 -0.163,650 -0.025,651 -0.014,652 0.044,653 -0.354,654 -0.16,655 -0.378,656 -0.193,657 -0.362,658 -0.402,659 1.895,660 5.436,661 0.652,662 15.86,663 1.003,664 1.109,665 3.645,666 13.288,667 0.715,668 3.258,669 3.611,670 3.892,671 4.159,672 4.344,673 4.357,674 4.443,675 4.511,676 4.419,677 4.369,678 5.212,679 0.676,680 324.43,681 3.258,682 4.812,683 5.673,684 6.567,685 7.448,686 8.345,687 9.234,688 10.131,689 11.024,690 11.922,691 5.1,698 1,700 1,709 7,714 5,716 12,721 1,738 39,739 15,740 2,741 25,743 41,744 18,745 12,746 5,747 7,748 2,752 3,753 4,759 3,768 15,769 3,772 3,778 2,781 1,782 3,786 1,789 16,790 4,792 5,793 1,797 2,803 0.667,804 2,822 1,823 2,826 1,855 2,856 1,857 1,859 3,862 23,873 1,875 1,886 5.1,889 2,893 12.5,894 8.233,895 5,896 2.301,898 2.854,899 1.416,900 0.982,901 4.164,902 9.712,903 3.555,904 4.159,905 4.71,906 5.256,907 5.759,908 5.92,909 6.229,910 6.556,911 6.775,912 7.039,913 0.833,914 37,915 8.515,917 3.631,918 7.855,919 16.047,921 13.01,924 2.355,925 54.167,929 188.338,930 149.853,931 19.665,933 50.29,935 32.22,936 117.634,937 238.627,938 19.665,939 26.476,940 3.002,941 66.334,942 61.25,943 30.527,945 220.557,947 188.338,948 137.298,949 50.29,950 32.22,952 188.338,953 50.29,956 46.14,957 91.158,959 32.22,960 188.338,961 69.955,962 149.853,965 188.338,966 57.044,967 95.811,969 66.953,970 188.338,971 69.955,972 149.853,973 0.592,974 0.351,975 0.191,976 0.104,977 18,978 9,979 0.049,980 2,981 1,982 1.133,983 3.387,984 187.101,985 0.133,986 15,987 102.042,989 1,993 15.666,994 6.113,995 2.983,997 69.955,998 13.147,1003 4.263,1006 408.145,1007 34,1013 24.483,1016 4.345,1017 -0.045,1020 39.12,1021 43.242,1022 0.306,1023 0.628,1024 0.747,1025 0.892,1026 0.931,1027 0.931,1028 4.804,1029 1.371,1030 5.687,1031 3.585,1032 4.29,1033 4.844,1034 3.393,1035 6.535,1036 4.234,1037 6.034,1038 0.903,1039 7.277,1040 3.011,1041 4.007,1042 4.705,1043 1.593,1044 7.516,1045 3.93,1046 7.356,1047 0.681,1048 8.968,1049 2.242,1050 5.922,1051 7.015,1052 5.621,1053 10.633,1054 5.803,1055 8.711,1056 0.016,1057 10.716,1058 1.662,1059 6.431,1060 7.637,1061 3.032,1062 12.434,1063 6.283,1064 10.096,1065 -0.367,1066 12.5,1067 0.041,1068 7.863,1069 9.462,1070 8.002,1071 15.075,1072 7.679,1073 11.502,1074 -0.515,1075 14.309,1076 -0.893,1077 8.728,1078 10.449,1079 4.409,1080 17.211,1081 8.506,1082 12.925,1083 -0.779,1084 16.136,1085 -1.243,1086 9.977,1087 12.061,1088 10.418,1089 19.683,1090 9.721,1091 3.196,1092 -0.919,1093 17.978,1094 -1.947,1095 11,1096 13.236,1097 5.75,1098 21.956,1099 10.703,1100 3.039,1101 10.847,1102 19.83,1103 -2,1104 12.18,1105 14.745,1106 12.844,1107 24.365,1108 11.849,1109 2.481,1110 10.361,1111 21.691,1112 4.088,1113 13.271,1114 16.02,1115 7.068,1116 26.693,1117 12.899,1118 2.152,1119 7.292,1120 23.558,1121 3.944,1122 14.426,1123 17.474,1124 15.273,1125 29.077,1126 14.018,1127 1.961,1128 6.587,1129 25.431,1130 3.218,1131 15.548,1132 18.803,1133 8.374,1134 31.429,1135 15.099,1136 1.705,1137 5.397,1138 27.308,1139 2.912,1140 16.695,1141 20.23,1142 17.702,1143 33.804,1144 16.21,1145 1.426,1146 5.016,1147 29.188,1148 2.573,1149 17.83,1150 21.589,1151 9.674,1152 36.165,1153 17.305,1154 5023,1155 8544,1156 16.126,1157 27.898,1158 38.591,1159 42.03,1160 39.999,1161 37.868,1162 37.861,1163 50.149,1164 10.852,1165 112.083,1166 36.854,1167 5.321,1168 6.695,1169 6.393,1170 5.278,1171 5.196,1172 7.088,1173 6.74,1174 17.958,1175 5.071,1176 12.982,1177 1.544,1178 1.681,1179 1.6,1180 1.515,1181 1.514,1182 2.006,1183 0.434,1184 4.483,1185 1.474,1186 4.006,1187 4.028,1188 4.141,1189 3.96,1190 7.431,1191 3.939,1192 3.924,1193 3.943,1194 3.893,1195 3.878,1196 7.425,1197 3.869,1198 3.573,1199 3.619,1200 3.527,1201 3.375,1202 4.788,1203 3.392,1204 3.364,1205 3.387,1206 3.383,1207 3.234,1208 4.696,1209 3.225,1210 3.253,1211 3.336,1212 3.059,1213 3.104,1214 4.427,1215 3.082,1216 3.057,1217 3.142,1218 3.029,1219 2.901,1220 3.945,1221 2.88,1222 2.886,1223 2.937,1224 2.867,1225 2.813,1226 3.812,1227 2.772,1228 2.757,1229 2.845,1230 2.622,1231 2.525,1232 3.727,1233 2.537,1234 0.181,1235 0.188,1236 0.268,1237 0.166,1238 0.128,1239 4.519,1240 0.164,1241 4.695,1242 0.135,1243 6.712,1244 0.434,1245 4.156,1246 0.123,1247 3.196,1248 4.088,1249 3.37,1250 10.847,1251 3.071,1252 1.94,1253 1.913,1254 2.055,1255 2.037,1256 1.191,1257 2.042,1258 1.872,1259 1.853,1260 1.967,1261 1.938,1262 1.076,1263 1.952,1264 1.502,1265 1.462,1266 1.713,1267 1.741,1268 0.752,1269 1.729,1270 1.306,1271 1.292,1272 1.629,1273 1.504,1274 0.699,1275 1.548,1276 1.286,1277 1.208,1278 1.437,1279 1.483,1280 0.498,1281 1.475,1282 1.081,1283 1.002,1284 1.333,1285 1.298,1286 0.408,1287 1.341,1288 0.889,1289 0.873,1290 1.084,1291 1.055,1292 0.181,1293 1.056,1294 0.805,1295 0.735,1296 1.003,1297 0.99,1298 0.104,1299 1.032,1300 3.932,1302 5.273,1303 2.398,1304 6.806,1305 4.844,1306 8.426,1307 7.018,1308 10.09,1310 5.366,1319 1.3,1321 1.306,1326 26.347,1327 63.072,1328 129.544,1329 153.95,1330 183.866,1331 191.866,1332 191.866,1333 42.69,1334 6.859,1335 49.74,1336 77.98,1337 17,1338 12.446,1339 4,1340 3.322,1341 36.639,1342 71,1343 71,1344 0.255,1345 167.618,1346 295.41,1347 400.748,1348 7573,1350 16.56,1351 0.72,1352 0.608,1353 16.914,1354 13.977,1355 10.969,1356 0.439,1357 0.323,1358 7.261,1359 10.242,1360 6.866,1361 5.766,1362 11.377,1363 8.069,1364 10.266,1365 0.285,1366 0.18,1367 10.908,1368 6.484,1369 8.471,1370 0.176,1371 0.097,1372 9.297,1373 4.638,1374 7.101,1375 0.113,1376 0.055,1377 8.019,1378 3.453,1379 5.593,1380 0.074,1381 0.03,1382 6.474,1383 2.242,1384 0.387,1385 71.998,1386 0.249,1387 22.133,1388 0.738,1389 122,1390 365.622,1391 157.299,1392 378.223,1393 516.38,1394 352,1395 145,1396 366.886,1397 179.087,1398 388.926,1399 570.73,1400 365,1401 6.796}
{0 CHEMBL1393564,1 1.785,2 15.647,3 5.372,4 28.856,5 136.975,6 8.469,7 0.595,8 4.194,9 4.29,10 3.935,11 3.741,12 5.353,13 3.706,14 4.697,15 4.846,16 4.349,17 4.09,18 5.773,19 4.037,20 4.772,21 4.916,22 4.313,23 4.157,24 5.867,25 4.099,26 4.929,27 5.11,28 4.302,29 4.216,30 5.974,31 4.131,32 4.978,33 5.176,34 4.262,35 4.166,36 6.025,37 4.069,38 4.822,39 5.02,40 4.191,41 4.041,42 5.894,43 3.932,44 4.736,45 4.982,46 3.997,47 3.92,48 5.683,49 3.787,50 4.552,51 4.754,52 3.994,53 3.845,54 5.534,55 3.717,56 0.13,57 0.89,58 11.198,59 5.846,60 11.54,61 6.454,62 0.529,63 1.378,64 30.381,65 9.92,66 31.049,67 10.725,68 0.547,69 1.476,70 25.83,71 10.098,72 30.46,73 11.728,74 0.526,75 1.672,76 32.344,77 11.973,78 37.426,79 14.248,80 0.992,81 1.663,82 38.637,83 12.629,84 59.415,85 14.572,86 0.74,87 1.506,88 31.615,89 10.731,90 47.555,91 12.577,92 0.656,93 1.368,94 34.384,95 10.324,96 44.222,97 12.061,98 0.503,99 1.185,100 28.447,101 8.865,102 33.031,103 9.383,104 42,105 51,106 0.288,107 0.593,108 0.728,109 0.762,110 0.77,111 0.792,112 3.56,113 0.995,114 -4.83,115 -4.74,116 -4.45,120 39,121 2,123 1,125 3,126 1,143 6,144 2,145 4,162 2,163 2,167 2,174 9,176 2,177 7,180 1,182 3,185 11,188 2,189 12,192 1,194 2,197 8,200 1,201 8,206 2,209 6,213 6,214 6,219 1,222 3,226 7,227 4,232 2,235 5,239 2,240 3,243 2,247 4,252 8,255 1,260 5,264 9,269 1,271 1,274 2168,275 23.229,276 23.229,277 23.229,278 23.229,279 23.229,280 20.681,281 29.768,282 13.513,283 24.358,284 18.069,285 18.069,286 18.069,287 18.069,288 18.069,289 13.954,290 37.201,291 6.155,292 19.673,293 4.097,294 2.209,295 1.374,296 1.166,297 1.119,298 0.979,299 4.253,307 1,308 1135,309 3.742,312 215.2,313 256.678,320 2.512,321 28.443,324 1,325 0.5,326 0.83,327 0.8,328 0.5,329 0.83,330 1,331 0.78,332 74.5,333 532,334 4.476,335 4.438,336 6.556,337 4.07,338 3.112,339 4.186,340 3.272,341 10.395,342 2.985,343 4.184,344 3.378,345 6.118,346 3.794,347 2.837,348 3.789,349 0.86,350 8.976,351 2.775,352 4.145,353 3.091,354 5.933,355 3.745,356 2.789,357 3.745,358 0.86,359 8.303,360 2.647,361 4.052,362 3.002,363 5.71,364 3.588,365 2.709,366 3.631,367 0.86,368 8.009,369 2.386,370 3.625,371 2.786,372 5.348,373 3.289,374 2.362,375 2.917,376 0.4,377 6.941,378 2.17,379 3.559,380 2.659,381 5.25,382 3.185,383 2.23,384 2.88,386 6.658,387 2.083,388 3.355,389 2.555,390 5.19,391 2.972,392 2.061,393 2.604,395 6.118,396 1.867,397 3.135,398 2.208,399 4.752,400 2.676,401 1.822,402 2.316,404 5.257,405 1.528,406 2.76,407 2.055,408 4.346,409 2.328,410 1.398,411 1.854,413 3.952,414 1.295,415 2.5,416 1.915,417 3.776,418 2.217,419 1.236,420 1.5,422 2.927,423 1.204,424 2.455,425 1.308,426 3.682,427 2,428 1.073,429 1.448,431 2.275,432 1,433 2.242,434 1.272,435 3.414,436 1.919,437 1,438 1.177,440 2.234,441 0.9,442 2.209,443 1,444 3.306,445 1.688,446 0.781,447 1.093,449 1.844,450 0.694,451 2.103,452 0.958,453 3.272,454 1.655,455 0.691,456 0.991,458 1.658,459 0.661,460 1.699,461 0.916,462 3.106,463 1.27,464 0.455,465 0.557,467 1.125,468 0.359,469 16.5,470 0.485,471 0.759,472 0.022,473 44.5,474 1.309,475 22.5,476 0.662,477 22,478 0.647,479 31.009,480 0.912,481 36.9,482 0.625,483 33.048,484 0.972,485 8.625,486 0.254,487 7.874,488 0.232,489 0.152,491 0.333,496 0.847,497 1.155,498 0.712,499 0.992,500 0.804,501 0.935,502 1.145,503 1.025,504 0.785,505 0.886,506 0.956,507 0.742,508 0.879,509 1.149,510 0.832,511 1.04,512 0.851,513 1.01,514 0.966,515 1.194,516 0.911,517 1.077,518 0.981,519 1.078,520 1.134,521 0.982,522 0.989,523 0.94,524 1.121,525 0.973,526 0.913,527 1.105,528 0.99,529 1.017,530 0.902,531 1.041,532 0.997,533 0.756,534 1.049,535 0.799,536 1.008,537 0.749,538 1.229,539 0.961,540 1.24,541 1.022,542 1.283,543 0.902,544 7.5,545 0.143,546 3.556,547 2.167,548 2.127,549 1.049,550 0.651,551 0.446,552 0.251,553 0.26,554 19219,555 54713,556 2.059,557 42.4,558 7,559 17,562 1,567 1.753,568 1.925,569 3.883,570 -0.275,575 105.328,576 1.785,577 3.673,578 4.509,579 4.717,580 4.763,581 4.903,582 3.374,583 4.536,584 5.059,585 4.112,586 2306.79,587 8.829,588 38089.5,593 347.076,594 1.419,595 5.016,596 0.203,597 0.005,598 0.07,599 0.042,600 0.043,601 0.023,602 0.016,603 0.013,604 0.008,605 0.009,606 0.433,607 0.17,608 0.88,609 0.92,610 187.569,611 0.014,612 -0.03,613 0.079,614 -0.024,615 0.013,616 -0.015,617 0.003,618 0.015,619 0.243,620 0.166,621 0.069,622 0.215,623 0.117,624 -0.109,625 0.04,626 -0.077,627 0.066,628 -0.066,629 -0.011,630 -0.193,631 -0.004,632 -0.122,633 -0.031,634 -0.112,635 0.082,636 -0.019,637 0.002,638 0.027,639 0.023,640 -0.015,641 0.161,642 -0.079,643 0.036,644 -0.029,645 0.165,646 -0.088,647 -0.018,648 0.262,649 0.103,650 0.242,651 0.024,652 0.246,653 -0.183,654 0.12,655 0.016,656 0.128,657 -0.208,658 0.084,659 1.306,660 2.343,661 0.647,662 43.972,663 1.014,664 1.124,665 3.6,666 12.958,667 0.691,668 3.638,669 3.951,670 4.22,671 4.454,672 4.605,673 4.691,674 4.796,675 4.875,676 4.927,677 4.997,678 9.122,679 0.654,680 499.67,681 3.638,682 5.176,683 6.023,684 6.895,685 7.757,686 8.63,687 9.497,688 10.371,689 11.241,690 12.116,691 8.5,699 1,701 4,709 6,710 4,712 1,713 1,714 10,716 22,729 1,735 3,738 59,739 22,740 2,741 37,743 62,744 23,745 16,746 6,747 6,752 4,753 4,759 2,768 16,769 7,770 1,789 25,790 9,791 1,792 11,793 2,797 5,803 1,804 4,822 2,823 2,855 4,856 1,857 2,859 5,862 34,869 1,871 1,872 3,873 1,874 1,886 6.8,891 4,893 17.667,894 12.383,895 7.694,896 3.273,898 4.049,899 1.499,900 0.955,901 8.292,902 12.158,903 3.892,904 4.494,905 5.077,906 5.633,907 6.038,908 6.319,909 6.682,910 7.02,911 7.328,912 7.589,913 1,914 51,915 12.474,917 5.108,918 7.667,919 23.764,921 18.668,924 2.167,925 73.667,929 282.506,930 206.953,931 84.663,933 42.507,935 63.497,936 143.456,937 325.013,938 84.663,939 50.3,940 0.9,941 56.857,942 76.692,943 85.877,945 346.004,947 282.506,948 228.118,949 42.507,950 63.497,952 282.506,953 42.507,956 47.102,957 114.365,958 66.652,959 63.497,960 282.506,961 127.17,962 206.953,965 282.506,966 99.796,967 107.157,968 18.011,969 109.159,970 282.506,971 127.17,972 206.953,973 0.575,974 0.346,975 0.186,976 0.095,977 23,978 11,979 0.161,980 10,982 1,983 4.584,984 302.424,986 22,987 158.974,989 2,993 24.764,994 11.384,995 6.026,997 127.17,998 11.861,999 16.761,1001 5.843,1002 1.467,1003 6.829,1005 18.011,1006 616.629,1007 48,1020 59.807,1021 66.321,1022 0.303,1023 0.624,1024 0.766,1025 0.802,1026 0.81,1027 0.834,1028 5.121,1029 1.822,1030 6.004,1031 6.118,1032 4.635,1033 5.182,1034 3.302,1035 6.797,1036 4.489,1037 6.325,1038 1.398,1039 7.554,1040 5.257,1041 4.205,1042 4.956,1044 7.656,1045 4.019,1046 7.628,1047 1.236,1048 9.198,1049 3.952,1050 6.221,1051 7.368,1052 5.454,1053 10.705,1054 5.968,1055 8.968,1056 1.073,1057 10.895,1058 2.927,1059 6.608,1060 7.965,1062 12.363,1063 6.315,1064 10.338,1065 1,1066 12.627,1067 2.275,1068 8.065,1069 9.814,1070 7.808,1071 14.918,1072 7.729,1073 11.727,1074 0.781,1075 14.381,1076 2.234,1077 8.817,1078 10.789,1080 16.92,1081 8.441,1082 13.13,1083 0.691,1084 16.152,1085 1.844,1086 10.054,1087 12.399,1088 10.177,1089 19.309,1090 9.645,1091 3.112,1092 0.455,1093 17.936,1094 1.658,1095 10.981,1096 13.568,1098 21.472,1099 10.532,1100 2.837,1101 10.395,1102 19.73,1103 1.125,1104 12.129,1105 15.066,1106 12.548,1107 23.805,1108 11.649,1109 2.789,1110 8.976,1111 21.532,1112 4.186,1113 13.141,1114 16.339,1116 26.048,1117 12.623,1118 2.709,1119 8.303,1120 23.343,1121 3.789,1122 14.254,1123 17.784,1124 14.919,1125 28.367,1126 13.705,1127 2.362,1128 8.009,1129 25.159,1130 3.745,1131 15.309,1132 19.113,1134 30.65,1135 14.724,1136 2.23,1137 6.941,1138 26.981,1139 3.631,1140 16.411,1141 20.534,1142 17.29,1143 32.968,1144 15.794,1145 2.061,1146 6.658,1147 28.809,1148 2.917,1149 17.49,1150 21.897,1152 35.273,1153 16.836,1154 18438,1155 31484,1156 24.561,1157 40.756,1158 54.84,1159 58.037,1160 57.074,1161 54.356,1162 54.512,1163 70.935,1164 12.505,1165 155.324,1166 50.298,1167 5.317,1168 6.438,1169 6.098,1170 5.271,1171 5.112,1172 7.186,1173 6.545,1174 17.316,1175 4.985,1176 18.622,1177 1.482,1178 1.569,1179 1.543,1180 1.469,1181 1.473,1182 1.917,1183 0.338,1184 4.198,1185 1.359,1186 4.009,1187 4.027,1188 4.304,1189 3.916,1190 5.26,1191 3.91,1192 3.95,1193 3.976,1194 3.97,1195 3.859,1196 5.017,1197 3.869,1198 3.767,1199 3.787,1200 3.869,1201 3.747,1202 4.945,1203 3.651,1204 3.688,1205 3.717,1206 3.737,1207 3.464,1208 4.729,1209 3.495,1210 3.488,1211 3.553,1212 3.425,1213 3.363,1214 4.58,1215 3.342,1216 3.303,1217 3.355,1218 3.312,1219 3.051,1220 4.46,1221 3.03,1222 3.244,1223 3.308,1224 3.144,1225 3.006,1226 4.165,1227 3.026,1228 3.187,1229 3.262,1230 3.033,1231 2.901,1232 4.135,1233 2.897,1234 0.121,1235 0.12,1236 0.177,1237 0.11,1238 0.084,1239 4.476,1240 0.113,1241 4.438,1242 0.088,1243 6.556,1244 0.281,1245 4.07,1246 0.081,1247 3.112,1248 4.186,1249 3.272,1250 10.395,1251 2.985,1252 1.938,1253 1.909,1254 2.068,1255 2.028,1256 1.252,1257 2.043,1258 1.88,1259 1.875,1260 1.946,1261 2.002,1262 1.082,1263 1.981,1264 1.546,1265 1.494,1266 1.796,1267 1.727,1268 0.916,1269 1.756,1270 1.471,1271 1.454,1272 1.59,1273 1.653,1274 0.867,1275 1.648,1276 1.257,1277 1.234,1278 1.576,1279 1.558,1280 0.584,1281 1.565,1282 1.227,1283 1.182,1284 1.559,1285 1.544,1286 0.578,1287 1.544,1288 1.213,1289 1.163,1290 1.531,1291 1.496,1292 0.565,1293 1.511,1294 1.164,1295 1.077,1296 1.417,1297 1.435,1298 0.469,1299 1.407,1300 4.317,1302 5.631,1303 3.045,1304 7.127,1305 5.283,1306 8.705,1307 7.261,1308 10.328,1310 9.02,1315 0.467,1317 3.291,1318 16.15,1319 1.48,1320 0.498,1326 38.608,1327 105.328,1328 216.733,1329 266.017,1330 278.282,1331 281.037,1332 289.302,1333 55.057,1334 8.11,1335 104.42,1336 157.96,1337 22,1338 12.656,1339 4.524,1340 3.585,1341 57.444,1342 190,1343 180,1344 0.146,1345 244.765,1346 414.2,1347 588.987,1348 44551,1350 24.079,1351 0.708,1352 0.621,1353 24.786,1354 21.12,1355 16.499,1356 0.446,1357 0.332,1358 10.396,1359 14.807,1360 9.82,1361 8.28,1362 17.361,1363 12.266,1364 14.462,1365 0.284,1366 0.19,1367 15.807,1368 9.678,1369 12.324,1370 0.184,1371 0.103,1372 13.817,1373 6.889,1374 10.091,1375 0.119,1376 0.056,1377 11.639,1378 4.759,1379 7.615,1380 0.077,1381 0.032,1382 9.081,1383 3.178,1384 0.241,1385 114.005,1386 0.202,1387 32.317,1388 0.373,1389 176,1390 593.576,1391 253.767,1392 598.418,1393 822.16,1394 564,1395 206,1396 584.887,1397 269.723,1398 617.189,1399 898.6,1400 572,1401 4.498}
{0 CHEMBL1393596,1 1.881,2 8.706,3 2.746,4 7.538,5 77.008,6 9.37,7 0.294,8 3.507,9 3.601,10 3.374,11 3.148,12 4.621,13 3.032,14 4.01,15 4.175,16 3.862,17 3.453,18 5.141,19 3.296,20 4.028,21 4.191,22 3.624,23 3.416,24 5.161,25 3.26,26 4.011,27 4.15,28 3.531,29 3.451,30 5.188,31 3.22,32 3.921,33 4.106,34 3.531,35 3.251,36 5.21,37 3.05,38 3.763,39 3.966,40 3.186,41 3.108,42 4.823,43 2.934,44 3.8,45 3.98,46 3.385,47 3.055,48 5.078,49 2.865,50 3.674,51 3.917,52 2.9,53 2.926,54 4.615,55 2.678,56 0.046,57 0.454,58 5.281,59 3.257,60 4.872,61 3.556,62 0.27,63 0.738,64 20.589,65 6.635,66 21.889,67 6.203,68 0.304,69 0.733,70 18.495,71 6.105,72 28.662,73 5.565,74 0.234,75 0.752,76 22.67,77 7.53,78 23.851,79 6.654,80 0.368,81 0.68,82 25.284,83 6.595,84 39.412,85 5.636,86 0.115,87 0.505,88 11.609,89 4.799,90 15.149,91 5.311,92 0.329,93 0.519,94 15.403,95 4.9,96 45.201,97 4.258,98 0.211,99 0.475,100 18.815,101 5.382,102 23.606,103 4.965,104 33,105 22,106 0.365,107 0.648,108 0.81,109 0.848,110 0.848,111 0.848,112 2.905,113 1.283,114 -2.25,115 -2.29,116 -2.26,120 32.3,121 3,126 2,147 1,153 1,159 1,160 1,163 1,177 4,180 2,182 1,185 1,189 2,194 1,197 2,200 1,201 1,206 2,209 1,213 1,214 1,217 1,222 1,227 2,239 1,240 2,245 1,247 2,264 3,271 1,274 335,275 10.939,276 10.939,277 10.939,278 10.939,279 10.939,280 9.93,281 13.913,282 6.658,283 11.799,284 8.332,285 8.332,286 8.332,287 8.332,288 8.332,289 6.723,290 17.958,291 3.11,292 9.677,293 3.073,294 1.616,295 0.783,296 0.589,297 0.589,298 0.589,299 3.526,305 1,306 1,307 1,308 289,309 3.536,312 55.262,320 1.405,321 17.662,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 37,333 148,334 4.291,335 4.805,336 6.044,337 3.807,338 2.912,339 3.962,340 4.989,341 8.724,342 2.606,343 3.744,344 3.738,345 5.303,346 3.386,347 2.469,348 2.941,349 2.199,350 6.692,351 2.317,352 3.572,353 3.096,354 5.028,355 3.064,356 2.253,357 2.754,358 0.991,359 6.022,360 1.753,361 3.125,362 2.98,363 4.647,364 2.676,365 1.765,366 2.288,367 0.22,368 4.893,369 1.572,370 2.601,371 2.149,372 4,373 2.122,374 1.247,375 1.635,377 3.27,378 1.069,379 2.155,380 1.874,381 3.239,382 1.956,383 1.095,384 1.13,386 1.946,387 0.923,388 1.712,389 1.582,390 2.791,391 1.274,392 0.458,393 0.515,395 0.9,396 0.361,397 1.035,398 1.547,399 2.266,400 0.636,401 -0.314,402 -0.373,404 -0.771,405 -0.285,406 0.773,407 0.526,408 2,409 0.454,410 -0.445,411 -0.528,413 -0.93,414 -0.4,415 0.677,416 0.162,417 1.781,418 0.299,419 -0.578,420 -0.658,422 -1.056,423 -0.491,424 0.361,425 -0.118,426 1.516,427 -0.083,428 -1,429 -1.281,431 -2.414,432 -0.824,433 0.078,434 -0.185,435 1.275,436 -0.228,437 -1.153,438 -1.443,440 -2.806,441 -1.048,442 -0.216,443 -0.765,444 1.202,445 -0.565,446 -1.497,447 -1.844,449 -3.559,450 -1.334,451 -0.373,452 -0.938,453 1,454 -0.771,455 -1.604,456 -1.887,457 -0.825,458 -4.495,459 -1.447,460 -0.417,461 -1.257,462 1,463 -0.939,464 -1.802,465 -2,466 -1.47,467 -5.097,468 -1.46,469 8.967,470 0.527,471 0.476,472 0.028,473 17.25,474 1.015,475 7,476 0.412,477 10.25,478 0.603,479 16.229,480 0.955,481 19.233,482 0.62,483 9.06,484 0.533,485 3.008,486 0.177,487 5.016,488 0.295,489 0.297,491 0.279,496 0.81,497 1.161,498 0.678,499 0.81,500 0.625,501 0.913,502 0.763,503 1.05,504 0.701,505 0.911,506 0.557,507 0.788,508 1.509,509 0.987,510 1.079,511 0.941,512 1.475,513 0.893,514 0.995,515 1.434,516 1.612,517 1.586,518 0.993,519 1.422,520 0.852,521 1.054,522 1.272,523 1.252,524 0.96,525 1.01,526 0.798,527 0.95,528 0.646,529 0.784,530 0.9,531 0.921,532 1.769,533 0.81,534 0.704,535 0.663,536 2.718,537 0.897,538 1.17,539 0.742,540 1.242,541 0.997,542 1.222,543 0.788,544 4.5,545 0.053,546 1.778,547 1.417,548 0.525,549 0.438,550 0.26,551 0.103,552 0.161,553 0.065,554 2240,555 8331,556 1.838,557 45.2,559 4,562 1,563 6,564 3,567 1.563,568 1.672,569 3.128,570 -0.083,572 1,574 1,575 58.303,576 1.881,577 3.338,578 4.171,579 4.365,580 4.365,581 4.365,582 2.542,583 3.617,584 4.058,585 3.267,586 444.298,587 6.832,588 4222.26,589 1,590 1,591 1,592 1,593 153.58,594 1.566,595 3.976,596 0.265,597 0.013,598 0.081,599 0.075,600 0.033,601 0.029,602 0.02,603 0.009,604 0.018,605 0.008,606 0.551,607 0.5,608 1,609 2.443,610 72.525,611 -0.066,612 -0.109,613 0.04,614 0.025,615 -0.072,616 -0.01,617 0.24,618 -0.032,619 0.29,620 0.082,621 0.162,622 0.172,623 -0.299,624 0.064,625 -0.102,626 0.034,627 -0.242,628 0.019,629 -0.085,630 -0.329,631 -0.398,632 -0.397,633 -0.055,634 -0.423,635 0.23,636 0.048,637 -0.077,638 -0.124,639 0.246,640 -0.038,641 0.037,642 -0.095,643 0.117,644 0.034,645 0.073,646 0.043,647 -0.194,648 0.096,649 0.156,650 0.201,651 -0.38,652 -0.016,653 -0.161,654 0.21,655 -0.078,656 0.105,657 -0.128,658 0.245,659 1.786,660 4.561,661 0.294,662 12.394,663 1.013,664 1.118,665 1.024,666 1.05,667 0.724,668 2.89,669 3.135,670 3.219,671 3.332,672 3.258,673 3.135,674 3.091,675 2.773,676 2.833,677 2.708,678 5.272,679 0.651,680 290.47,681 2.89,682 4.369,683 5.142,684 5.969,685 6.765,686 7.597,687 8.405,688 9.24,689 10.056,690 10.892,691 6.5,698 1,701 1,710 1,713 1,714 3,716 5,738 31,739 7,741 17,743 31,744 10,745 3,752 1,753 1,758 1,759 3,768 5,769 5,772 2,778 1,779 1,782 2,785 1,786 1,789 14,790 4,791 1,792 7,793 3,797 2,803 1,804 2,822 1,838 1,855 1,857 3,859 3,862 17,869 2,871 1,872 1,873 1,879 1,886 6.5,889 1,891 1,893 10.167,894 6.533,895 3.944,896 1.829,898 1.01,899 1.185,900 0.904,901 6.371,902 6.461,903 3.114,904 3.59,905 3.91,906 4.325,907 4.355,908 4.265,909 4.387,910 3.842,911 4.08,912 4.21,913 0.833,914 19,915 6.249,917 2.421,918 7.892,919 11.749,921 8.646,924 2.392,925 40.667,926 0.001,929 153.024,930 151.543,931 34.796,933 36.145,935 108.689,936 42.853,937 189.169,938 34.796,939 26.476,940 23.503,942 46.635,943 14.257,944 2.924,945 216.522,946 45.192,947 153.024,948 77.65,949 36.145,950 108.689,952 117.711,953 71.458,956 53.236,957 7.628,958 16.786,959 108.689,960 153.024,961 70.941,962 151.543,965 153.024,966 79.875,967 26.476,968 18.011,969 98.122,970 153.024,971 70.941,972 151.543,973 0.565,974 0.305,975 0.147,976 0.068,977 8,978 5,979 0.194,980 6,982 1,983 2.926,984 100.135,986 5,987 69.487,989 2,990 1,993 14.865,994 7.286,995 5.315,997 70.941,999 4.227,1002 1.471,1003 2.688,1005 18.011,1006 375.508,1007 21.5,1013 11.561,1014 4.909,1017 0.278,1020 31.389,1021 34.667,1022 0.38,1023 0.674,1024 0.842,1025 0.881,1026 0.881,1027 0.881,1028 4.307,1029 -0.314,1030 5.118,1031 0.9,1032 3.807,1033 4.27,1034 4.032,1035 5.82,1036 3.544,1037 5.488,1038 -0.445,1039 6.624,1040 -0.771,1041 3.434,1042 4.182,1043 3.862,1044 6.503,1045 3.128,1046 6.772,1047 -0.578,1048 8.222,1049 -0.93,1050 5.303,1051 6.321,1052 6.911,1053 9.495,1054 4.81,1055 8.087,1056 -1,1057 9.869,1058 -1.056,1059 5.673,1060 7.008,1061 7.404,1062 10.944,1063 5.144,1064 9.429,1065 -1.153,1066 11.544,1067 -2.414,1068 7.062,1069 8.684,1070 9.995,1071 13.45,1072 6.371,1073 10.789,1074 -1.497,1075 13.24,1076 -2.806,1077 7.781,1078 9.733,1079 10.815,1080 15.262,1081 7.04,1082 12.164,1083 -1.604,1084 14.951,1085 -3.559,1086 8.97,1087 11.229,1088 13.126,1089 17.572,1090 8.091,1091 2.912,1092 -1.802,1093 16.675,1094 -4.495,1095 9.86,1096 12.453,1097 14.159,1098 19.565,1099 8.909,1100 2.469,1101 8.724,1102 18.409,1103 -5.097,1104 10.966,1105 13.876,1106 16.277,1107 21.79,1108 9.891,1109 2.253,1110 6.692,1111 20.152,1112 3.962,1113 11.94,1114 15.182,1115 17.461,1116 23.872,1117 10.776,1118 1.765,1119 6.022,1120 21.902,1121 2.941,1122 13.013,1123 16.576,1124 19.443,1125 26.063,1126 11.731,1127 1.247,1128 4.893,1129 23.659,1130 2.754,1131 14.03,1132 17.92,1133 20.736,1134 28.187,1135 12.647,1136 1.095,1137 3.27,1138 25.421,1139 2.288,1140 15.092,1141 19.303,1142 22.619,1143 30.363,1144 13.595,1145 0.458,1146 1.946,1147 27.189,1148 1.635,1149 16.131,1150 20.664,1151 23.993,1152 32.508,1153 14.525,1154 2447,1155 4847,1156 10.345,1157 22.432,1158 24.694,1159 28.801,1160 25.868,1161 24.298,1162 24.396,1163 30.45,1164 16.798,1165 64.895,1166 21.202,1167 5.213,1168 6.591,1169 5.817,1170 4.954,1171 4.891,1172 6.57,1173 9.292,1174 14.83,1175 4.365,1176 11.037,1177 1.453,1178 1.694,1179 1.522,1180 1.429,1181 1.435,1182 1.791,1183 0.988,1184 3.817,1185 1.247,1186 3.894,1187 3.919,1188 4.242,1189 3.874,1190 7.429,1191 3.805,1192 3.607,1193 3.625,1194 4.106,1195 3.585,1196 4.916,1197 3.474,1198 3.482,1199 3.534,1200 3.484,1201 3.272,1202 4.827,1203 3.27,1204 3.123,1205 3.194,1206 3.204,1207 3.087,1208 4.174,1209 3,1210 3.083,1211 3.151,1212 3.026,1213 2.903,1214 3.943,1215 2.845,1216 2.924,1217 2.965,1218 2.918,1219 2.799,1220 3.771,1221 2.738,1222 2.512,1223 2.607,1224 2.729,1225 2.284,1226 3.553,1227 2.211,1228 2.336,1229 2.454,1230 2.215,1231 2.063,1232 3.503,1233 2.006,1234 0.252,1235 0.283,1236 0.356,1237 0.224,1238 0.171,1239 4.291,1240 0.233,1241 4.805,1242 0.293,1243 6.044,1244 0.513,1245 3.807,1246 0.153,1247 2.912,1248 3.962,1249 4.989,1250 8.724,1251 2.606,1252 1.612,1253 1.579,1254 1.802,1255 1.778,1256 0.951,1257 1.782,1258 1.555,1259 1.536,1260 1.801,1261 1.741,1262 0.943,1263 1.771,1264 1.472,1265 1.414,1266 1.608,1267 1.706,1268 0.848,1269 1.717,1270 1.257,1271 1.224,1272 1.54,1273 1.429,1274 0.631,1275 1.487,1276 1.035,1277 0.997,1278 1.124,1279 1.217,1280 0.304,1281 1.273,1282 0.866,1283 0.831,1284 1.023,1285 1.041,1286 0.128,1287 1.071,1288 0.416,1289 0.335,1290 0.656,1291 0.747,1293 0.774,1294 0.41,1295 0.301,1296 0.48,1297 0.61,1299 0.691,1300 3.555,1302 4.812,1303 2.398,1304 6.221,1305 4.727,1306 7.698,1307 6.763,1308 9.215,1310 5.746,1315 0.773,1317 2.733,1318 5.067,1319 1.213,1326 20.195,1327 58.303,1328 103.474,1329 129.315,1330 135.315,1331 135.315,1332 135.315,1333 33.979,1334 5.451,1335 51.22,1336 136.85,1337 5,1338 11.465,1339 3,1340 2.459,1341 38.393,1342 53,1343 54,1344 0.359,1345 142.565,1346 242.85,1347 339.618,1348 1185,1350 12.836,1351 0.755,1352 0.727,1353 14.044,1354 12.352,1355 8.024,1356 0.472,1357 0.428,1358 5.175,1359 6.571,1360 4.718,1361 3.972,1362 9.175,1363 7.27,1364 7.104,1365 0.323,1366 0.271,1367 8.98,1368 5.961,1369 5.051,1370 0.21,1371 0.17,1372 6.811,1373 4.078,1374 3.698,1375 0.137,1376 0.097,1377 5.282,1378 2.613,1379 2.294,1380 0.092,1381 0.059,1382 3.51,1383 1.464,1384 0.57,1385 61.957,1386 0.311,1387 17.634,1388 0.953,1389 78,1390 290.03,1391 157.549,1392 335.839,1393 435.55,1394 312,1395 85,1396 258.333,1397 139.358,1398 295.426,1399 427.4,1400 274,1401 5.108}
{0 CHEMBL1393598,1 1.809,2 9.56,3 2.512,4 6.308,5 92.391,6 8.888,7 0.423,8 3.836,9 3.916,10 3.527,11 3.277,12 5.119,13 3.313,14 4.312,15 4.436,16 3.872,17 3.565,18 5.625,19 3.605,20 4.367,21 4.467,22 3.937,23 3.695,24 5.749,25 3.7,26 4.501,27 4.615,28 4.051,29 3.75,30 5.938,31 3.753,32 4.592,33 4.74,34 4.004,35 3.792,36 5.89,37 3.739,38 4.54,39 4.708,40 4.026,41 3.742,42 5.896,43 3.673,44 4.526,45 4.723,46 3.751,47 3.595,48 5.76,49 3.544,50 4.36,51 4.496,52 3.599,53 3.496,54 5.827,55 3.445,56 0.203,57 0.556,58 6.174,59 3.623,60 8,61 3.681,62 0.676,63 0.816,64 15.425,65 5.397,66 45.138,67 5.703,68 0.634,69 0.904,70 15.255,71 6.428,72 41.833,73 6.357,74 0.714,75 1,76 17.272,77 7.08,78 61.722,79 6.975,80 0.966,81 1.067,82 23.27,83 8.264,84 77.86,85 8.371,86 0.782,87 1.062,88 24.586,89 8.178,90 58.805,91 8.866,92 0.839,93 0.928,94 25.815,95 7.79,96 78.25,97 8.404,98 0.875,99 0.805,100 22.626,101 6.867,102 98.277,103 6.418,104 47,105 35,106 0.32,107 0.664,108 0.743,109 0.807,110 0.851,111 0.86,112 3.267,113 0.855,114 -1.69,115 -1.75,116 -1.78,120 39,125 3,143 4,144 1,145 3,152 1,153 1,159 2,160 1,174 2,176 1,177 6,180 1,181 1,182 2,185 1,188 2,189 6,192 1,194 2,197 1,201 4,204 4,206 3,213 2,217 2,219 2,226 2,227 2,230 3,232 1,240 3,243 1,247 2,251 3,252 1,260 3,263 4,264 3,271 1,274 976,275 16.748,276 16.748,277 16.748,278 16.748,279 16.748,280 15.064,281 20.189,282 9.805,283 17.426,284 12.603,285 12.603,286 12.603,287 12.603,288 12.603,289 9.754,290 24.971,291 4.361,292 13.362,293 3.549,294 1.601,295 1.153,296 0.793,297 0.543,298 0.494,299 3.923,305 1,306 1,307 1,308 485,309 4.062,312 81.104,313 94.552,320 1.373,321 35.462,323 1,324 1,325 1,326 1,327 0.8,329 1,330 1,331 0.83,332 57,333 239,334 4.464,335 3.848,336 6.541,337 4.078,338 3.106,339 4.142,340 1.773,341 10.337,342 3.017,343 4.174,344 3.676,345 6.047,346 3.82,347 2.823,348 3.706,349 1.674,350 8.662,351 2.815,352 3.915,353 3.465,354 6.008,355 3.544,356 2.601,357 3.298,358 0.99,359 8.473,360 2.436,361 3.655,362 3.183,363 5.257,364 3.227,365 2.317,366 2.89,367 0.86,368 6.53,369 2.094,370 3.281,371 2.489,372 4.826,373 2.852,374 1.895,375 2.496,376 0.86,377 5.29,378 1.81,379 3.081,380 2.199,381 4.411,382 2.553,383 1.598,384 2.217,385 0.14,386 4.106,387 1.5,388 2.894,389 2.197,390 4.136,391 2.477,392 1.55,393 1.974,395 3.714,396 1.414,397 2.276,398 1.461,399 3.538,400 1.795,401 0.875,402 1.109,404 1.947,405 0.792,406 2.118,407 1.346,408 3.183,409 1.704,410 0.744,411 0.955,413 1.673,414 0.707,415 2.033,416 1.05,417 3,418 1.618,419 0.618,420 0.927,422 1.372,423 0.618,424 1.495,425 1.019,426 2.784,427 1.228,428 0.38,429 0.41,431 0.517,432 0.319,433 1.467,434 0.905,435 2.688,436 1.128,437 0.224,438 0.257,440 0.314,441 0.198,442 1.216,443 0.618,444 2.439,445 0.875,446 -0.07,447 -0.085,449 -0.134,450 -0.065,451 1,452 0.549,453 2.388,454 0.465,455 -0.495,456 -0.616,458 -1.134,459 -0.459,460 0.747,461 0.058,462 2.071,463 0.27,464 -0.66,465 -0.901,467 -1.5,468 -0.573,469 11.633,470 0.465,471 0.592,472 0.024,473 32,474 1.28,475 15.5,476 0.62,477 16.5,478 0.66,479 18.201,480 0.728,481 27.967,482 0.682,483 27.058,484 1.082,485 7.132,486 0.285,487 4.862,488 0.194,489 0.258,491 0.344,496 0.894,497 1.337,498 0.608,499 1.042,500 0.633,501 0.933,502 1.153,503 0.918,504 0.679,505 0.73,506 0.709,507 0.666,508 0.947,509 1.21,510 0.997,511 1.098,512 0.952,513 1.006,514 1.109,515 1.201,516 0.915,517 1.058,518 1.322,519 1.04,520 1.068,521 1.02,522 1.103,523 0.981,524 1.126,525 1.019,526 0.64,527 1.149,528 1.081,529 1.27,530 0.62,531 1.104,532 1.19,533 0.827,534 1.053,535 0.9,536 1.25,537 0.854,538 1.267,539 0.981,540 1.691,541 1.291,542 1.326,543 1.16,544 5.5,545 0.098,546 3.111,547 1.778,548 1.694,549 1.094,550 0.66,551 0.331,552 0.263,553 0.167,554 6221,555 24040,556 1.928,557 39,559 13,560 1,562 2,567 1.685,568 1.765,569 3.239,570 0.391,571 1,572 1,575 74.15,576 1.809,577 3.756,578 4.204,579 4.564,580 4.815,581 4.863,582 2.649,583 4.404,584 4.615,585 3.404,586 1021.1,587 8.007,588 12514.9,589 1,590 1,592 1,593 219.66,594 1.541,595 4.546,596 0.212,597 0.006,598 0.089,599 0.048,600 0.045,601 0.032,602 0.021,603 0.012,604 0.011,605 0.008,606 0.483,607 0.33,608 1,609 1.233,610 120.214,611 -0.118,612 -0.219,613 0.019,614 -0.141,615 -0.088,616 -0.05,617 -0.085,618 0.091,619 0.139,620 0.167,621 0.029,622 0.234,623 -0.004,624 -0.118,625 -0.117,626 -0.095,627 -0.022,628 -0.103,629 -0.092,630 -0.141,631 -0.026,632 -0.096,633 -0.088,634 -0.146,635 -0.052,637 -0.055,638 0.053,639 -0.129,640 -0.064,641 0.191,642 -0.064,643 0.097,644 -0.145,645 0.187,646 -0.101,647 -0.168,648 0.11,649 0.046,650 0.103,651 -0.123,652 0.157,653 -0.115,654 0.043,655 -0.457,656 -0.137,657 -0.025,658 -0.203,659 2.274,660 4.988,661 0.44,662 21.638,663 1.035,664 1.124,665 0.455,666 0.207,667 0.676,668 3.296,669 3.584,670 3.829,671 4.025,672 4.127,673 4.205,674 4.159,675 4.025,676 3.892,677 3.912,678 5.923,679 0.664,680 364.41,681 3.296,682 4.812,683 5.645,684 6.509,685 7.363,686 8.233,687 9.094,688 9.966,689 10.83,690 11.703,691 4.9,698 2,709 5,712 1,714 5,716 11,726 1,735 2,738 41,739 14,740 1,741 26,743 42,744 16,745 10,746 4,747 2,748 2,752 2,753 2,757 1,768 13,769 3,772 3,778 2,779 1,782 3,785 1,786 1,788 1,789 16,790 8,791 2,792 9,793 1,797 2,800 1,803 1,804 6,822 1,823 1,855 2,857 1,859 3,862 25,871 2,872 3,886 14.6,889 2,891 4,893 14.167,894 8.333,895 5.861,896 1.986,898 1.945,899 1.298,900 0.919,901 6.805,902 8.476,903 3.57,904 4.107,905 4.631,906 5.132,907 5.457,908 5.71,909 5.772,910 5.719,911 5.594,912 5.897,913 1,914 37,915 9.17,917 3.745,918 8.14,919 16.535,921 12.256,924 2.64,925 66,928 1,929 164.795,930 161.544,931 36.022,933 92.797,935 45.192,936 116.352,937 257.592,938 36.022,939 32.649,940 36.022,941 49.644,942 62.186,943 58.936,944 17.504,945 153.024,946 45.192,947 164.795,948 152.374,949 92.797,950 45.192,952 164.795,953 92.797,956 36.022,957 116.352,959 45.192,960 164.795,961 128.818,962 161.544,965 164.795,966 34.059,967 82.294,968 36.022,969 137.989,970 164.795,971 128.818,972 161.544,973 0.567,974 0.348,975 0.185,976 0.092,977 14,978 8,979 0.143,980 6,982 1,983 3.544,984 194.443,986 11,987 116.096,990 1,993 19.237,994 8.844,995 4.717,997 128.818,998 7.402,1001 4.982,1003 1.269,1005 36.022,1006 455.158,1007 34.5,1013 23.925,1014 5.1,1017 -1.162,1020 42.429,1021 46.079,1022 0.338,1023 0.701,1024 0.785,1025 0.852,1026 0.899,1027 0.908,1028 4.785,1029 0.875,1030 5.631,1031 3.714,1032 4.263,1033 4.792,1034 2.829,1035 6.431,1036 4.167,1037 5.987,1038 0.744,1039 7.194,1040 1.947,1041 3.892,1042 4.649,1043 1.305,1044 7.345,1045 3.776,1046 7.293,1047 0.618,1048 8.855,1049 1.673,1050 5.849,1051 6.936,1052 3.545,1053 10.409,1054 5.692,1055 8.636,1056 0.38,1057 10.573,1058 1.372,1059 6.293,1060 7.607,1061 2.579,1062 12.11,1063 6.124,1064 10.008,1065 0.224,1066 12.326,1067 0.517,1068 7.713,1069 9.366,1070 4.467,1071 14.692,1072 7.513,1073 11.4,1074 -0.07,1075 14.102,1076 0.314,1077 8.514,1078 10.4,1079 3.828,1080 16.722,1081 8.302,1082 12.807,1083 -0.495,1084 15.894,1085 -0.134,1086 9.733,1087 11.955,1088 5.479,1089 19.133,1090 9.498,1091 3.106,1092 -0.66,1093 17.699,1094 -1.134,1095 10.697,1096 13.167,1097 5.043,1098 21.312,1099 10.447,1100 2.823,1101 10.337,1102 19.512,1103 -1.5,1104 11.84,1105 14.637,1106 6.529,1107 23.659,1108 11.569,1109 2.601,1110 8.662,1111 21.333,1112 4.142,1113 12.88,1114 15.939,1115 6.232,1116 25.91,1117 12.589,1118 2.317,1119 8.473,1120 23.159,1121 3.706,1122 13.996,1123 17.371,1124 7.598,1125 28.235,1126 13.684,1127 1.895,1128 6.53,1129 24.991,1130 3.298,1131 15.072,1132 18.721,1133 7.405,1134 30.522,1135 14.738,1136 1.598,1137 5.29,1138 26.827,1139 2.89,1140 16.182,1141 20.138,1142 8.677,1143 32.842,1144 15.825,1145 1.55,1146 4.106,1147 28.666,1148 2.496,1149 17.276,1150 21.514,1151 8.567,1152 35.148,1153 16.895,1154 6390,1155 12695,1156 16.414,1157 27.716,1158 37.86,1159 40.549,1160 40.233,1161 37.434,1162 37.461,1163 48.762,1164 12.596,1165 105.867,1166 35.441,1167 5.373,1168 5.848,1169 6.138,1170 5.131,1171 5.106,1172 7.142,1173 3.448,1174 17.18,1175 5.017,1176 15.391,1177 1.456,1178 1.56,1179 1.547,1180 1.44,1181 1.441,1182 1.875,1183 0.484,1184 4.072,1185 1.363,1186 3.975,1187 3.987,1188 4.011,1189 3.871,1190 7.434,1191 3.883,1192 3.899,1193 3.902,1194 3.868,1195 3.738,1196 7.429,1197 3.763,1198 3.484,1199 3.522,1200 3.772,1201 3.373,1202 5.055,1203 3.315,1204 3.441,1205 3.451,1206 3.375,1207 3.146,1208 4.944,1209 3.195,1210 3.246,1211 3.312,1212 3.103,1213 2.953,1214 4.799,1215 2.968,1216 3.205,1217 3.274,1218 3.057,1219 2.919,1220 4.506,1221 2.926,1222 3.002,1223 3.042,1224 3.006,1225 2.813,1226 4.49,1227 2.805,1228 2.905,1229 2.962,1230 2.716,1231 2.703,1232 4.21,1233 2.683,1234 0.172,1235 0.148,1236 0.252,1237 0.157,1238 0.119,1239 4.464,1240 0.159,1241 3.848,1242 0.068,1243 6.541,1244 0.398,1245 4.078,1246 0.116,1247 3.106,1248 4.142,1249 1.773,1250 10.337,1251 3.017,1252 1.896,1253 1.886,1254 1.957,1255 2.018,1256 1.095,1257 1.999,1258 1.568,1259 1.55,1260 1.681,1261 1.776,1262 0.728,1263 1.733,1264 1.394,1265 1.365,1266 1.607,1267 1.638,1268 0.592,1269 1.615,1270 1.305,1271 1.281,1272 1.576,1273 1.586,1274 0.575,1275 1.589,1276 1.226,1277 1.197,1278 1.557,1279 1.53,1280 0.568,1281 1.54,1282 1.182,1283 1.106,1284 1.496,1285 1.507,1286 0.433,1287 1.513,1288 1.109,1289 1.044,1290 1.231,1291 1.355,1292 0.247,1293 1.358,1294 0.886,1295 0.826,1296 1.099,1297 1.132,1298 0.154,1299 1.119,1300 3.97,1302 5.263,1303 2.398,1304 6.746,1305 4.443,1306 8.322,1307 6.293,1308 9.951,1310 4.149,1317 5.211,1318 15.124,1326 27.206,1327 74.15,1328 154.011,1329 172.375,1330 187.13,1331 197.395,1332 199.395,1333 58.986,1334 6.531,1335 99.03,1336 131.12,1337 11,1338 12.246,1339 3.907,1340 3.248,1341 51.417,1342 86,1343 83,1344 0.287,1345 174.739,1346 310.97,1347 418.123,1348 4929,1350 18.397,1351 0.736,1352 0.582,1353 18.897,1354 14.561,1355 11.994,1356 0.461,1357 0.285,1358 6.819,1359 10.894,1360 6.57,1361 5.524,1362 12.283,1363 7.408,1364 10.216,1365 0.292,1366 0.144,1367 10.624,1368 5.038,1369 8.56,1370 0.19,1371 0.075,1372 8.796,1373 3.353,1374 6.728,1375 0.122,1376 0.04,1377 7.065,1378 2.19,1379 4.624,1380 0.076,1381 0.021,1382 4.856,1383 1.283,1384 0.444,1385 81.076,1386 0.247,1387 24.147,1388 0.807,1389 122,1390 517.939,1391 156.804,1392 494.68,1393 644.99,1394 460,1395 141,1396 435.151,1397 169.737,1398 444.413,1399 642.63,1400 410,1401 4.55}
{0 CHEMBL1396012,1 1.622,2 14.794,3 2.794,4 7.804,5 130.301,6 7.472,7 0.324,8 4.262,9 4.369,10 3.952,11 3.807,12 5.291,13 3.762,14 4.859,15 5.032,16 4.312,17 4.243,18 6.008,19 4.183,20 5.133,21 5.302,22 4.453,23 4.462,24 6.261,25 4.374,26 5.345,27 5.555,28 4.307,29 4.451,30 6.504,31 4.341,32 5.212,33 5.443,34 4.194,35 4.344,36 6.268,37 4.198,38 5.143,39 5.396,40 4.194,41 4.24,42 6.142,43 4.1,44 5.017,45 5.224,46 4.088,47 4.132,48 6.429,49 4.043,50 4.962,51 5.184,52 3.905,53 4.133,54 5.973,55 4.003,56 0.093,57 0.958,58 16.844,59 6.582,60 18.327,61 8.242,62 0.559,63 1.576,64 29.746,65 11.066,66 68.151,67 14.356,68 0.313,69 2.023,70 43.379,71 15.988,72 58.062,73 19.608,74 0.972,75 2.207,76 55.691,77 17.061,78 162.846,79 21.349,80 0.7,81 1.943,82 47.38,83 16.061,84 119.812,85 20.919,86 0.694,87 1.795,88 50.512,89 15.724,90 91.873,91 20.502,92 1.118,93 1.575,94 39.953,95 12.208,96 209.703,97 15.76,98 0.511,99 1.569,100 34.816,101 12.093,102 78.757,103 16.331,104 66,105 56,106 0.258,107 0.573,108 0.77,109 0.814,110 0.814,111 0.814,112 3.56,113 1.04,114 -3.28,115 -3.27,116 -3.14,120 38.5,121 2,122 2,123 1,124 1,125 2,126 3,143 7,144 2,145 3,159 2,174 11,176 4,177 9,180 1,182 2,185 11,189 18,194 4,197 7,201 14,206 2,209 4,213 1,214 8,217 1,222 10,226 3,227 8,230 1,235 12,239 5,240 1,243 2,247 8,251 1,252 7,257 2,260 5,264 11,269 2,271 2,274 2132,275 22.122,276 22.122,277 22.122,278 22.122,279 22.122,280 20.276,281 33.899,282 12.3,283 22.619,284 18.051,285 18.051,286 18.051,287 18.051,288 18.051,289 14.874,290 47.494,291 5.654,292 18.716,293 4.401,294 2.421,295 1.18,296 0.908,297 0.908,298 0.908,299 4.245,307 1,308 1080,309 4.416,312 93.458,313 358.074,316 162.671,320 2.407,321 51.826,324 1,325 0.83,326 1,327 1,328 1,329 1,330 1,331 0.98,332 74.5,333 503,334 4.953,335 4.728,336 7.81,337 4.647,338 3.66,339 4.772,340 2.015,341 14.278,342 3.62,343 4.769,344 4.217,345 7.66,346 4.419,347 3.49,348 4.174,349 1.909,350 13.591,351 3.209,352 4.048,353 3.706,354 6.108,355 3.795,356 2.795,357 3.636,358 0.86,359 8.578,360 2.789,361 3.934,362 2.927,363 6.028,364 3.612,365 2.634,366 3.121,367 0.625,368 8.454,369 2.577,370 3.747,371 2.901,372 5.838,373 3.445,374 2.475,375 3.087,376 0.561,377 7.332,378 2.404,379 3.474,380 2.718,381 5.507,382 3.188,383 2.23,384 2.75,385 0.4,386 7.17,387 2.129,388 3.439,389 2.6,390 5.476,391 3.13,392 2.171,393 2.576,394 0.111,395 6.28,396 2.065,397 3.166,398 2.557,399 5.108,400 2.877,401 1.909,402 2.284,404 6.091,405 1.829,406 2.918,407 1.976,408 4.395,409 2.504,410 1.506,411 1.954,413 4.175,414 1.496,415 2.5,416 1.596,417 4.084,418 2.163,419 1.196,420 1.5,422 3.344,423 1.151,424 2.491,425 1.336,426 3.922,427 2.047,428 1.052,429 1.479,431 2.801,432 1.045,433 2.422,434 1.229,435 3.446,436 2,437 1,438 1.36,440 2.275,441 1,442 2,443 1.082,444 3.414,445 1.984,446 1,447 1,449 2.275,450 0.983,451 1.903,452 1.077,453 3.414,454 1.622,455 0.682,456 0.778,458 1.379,459 0.629,460 1.857,461 1,462 3.138,463 1.432,464 0.397,465 0.514,467 0.946,468 0.404,469 16.2,470 0.476,471 1.207,472 0.036,473 40.75,474 1.199,475 19,476 0.559,477 21.75,478 0.64,479 34.531,480 1.016,481 38.4,482 0.591,483 35.208,484 1.036,485 7.572,486 0.223,487 8.479,488 0.249,489 0.206,490 0.082,491 0.296,496 0.585,497 1.469,498 0.832,499 1.308,500 0.589,501 1.057,502 0.712,503 0.926,504 0.77,505 0.803,506 0.534,507 0.811,508 0.931,509 1.349,510 1.209,511 1.356,512 0.847,513 1.158,514 1.584,515 1.024,516 1.329,517 1.053,518 1.704,519 1.089,520 1.055,521 1.011,522 1.046,523 1.036,524 1.292,525 1.086,526 0.722,527 0.989,528 1.013,529 1.127,530 0.874,531 0.913,532 1.116,533 0.923,534 1.131,535 0.952,536 1.208,537 0.968,538 0.89,539 1.136,540 1.07,541 1.109,542 0.903,543 1.18,544 9.5,545 0.276,546 6.667,547 4.021,548 1.716,549 1.757,550 1.08,551 0.604,552 0.383,553 0.316,554 17852,555 48536,556 1.994,557 47.7,558 6,559 19,562 1,563 1,564 4,567 1.754,568 1.805,569 3.772,570 -0.334,575 105.413,576 1.622,577 3.602,578 4.843,579 5.114,580 5.114,581 5.114,582 3.282,583 4.558,584 5.055,585 3.996,586 2241.67,587 8.835,588 35251.1,593 391.454,594 1.778,595 4.972,596 0.257,597 0.01,598 0.119,599 0.065,600 0.034,601 0.042,602 0.025,603 0.014,604 0.011,605 0.011,606 0.588,607 0.33,608 0.88,609 0.79,610 184.836,611 0.058,612 -0.208,613 0.193,614 -0.096,615 -0.082,616 0.002,617 0.157,618 0.221,619 0.165,620 0.217,621 0.151,622 0.177,623 -0.064,624 -0.229,625 -0.095,626 -0.197,627 0.017,628 -0.131,629 -0.304,630 -0.015,631 -0.262,632 -0.06,633 -0.237,634 -0.145,635 -0.079,636 -0.041,637 -0.044,638 -0.039,639 -0.151,640 -0.096,641 0.15,642 -0.03,643 0.162,644 -0.028,645 0.04,646 0.111,647 0.171,648 0.075,649 -0.092,650 0.022,651 0.28,652 -0.023,653 -0.047,654 -0.122,655 -0.174,656 -0.157,657 -0.046,658 -0.194,659 4.637,660 6.317,661 0.618,662 42.007,663 1.006,664 1.127,665 2.054,666 4.217,667 0.655,668 3.638,669 4.043,670 4.344,671 4.533,672 4.754,673 4.86,674 4.997,675 5.037,676 5.069,677 5.094,678 8.429,679 0.618,680 485.66,681 3.638,682 5.231,683 6.111,684 7.02,685 7.92,686 8.834,687 9.742,688 10.661,689 11.575,690 12.499,691 4.6,694 1,698 2,709 7,714 5,716 12,735 1,738 65,739 16,740 2,741 37,743 68,744 25,745 12,746 5,747 7,752 4,753 5,759 2,760 1,762 1,763 2,764 1,766 2,768 14,769 11,770 1,772 4,776 1,778 4,782 2,789 31,790 8,791 1,792 9,793 1,797 3,803 0.75,804 5,822 1,823 3,826 1,838 1,839 1,855 3,857 1,859 4,862 34,866 1,869 5,871 1,872 1,874 1,875 2,876 1,886 7.7,889 4,891 1,893 18.833,894 12.817,895 7.278,896 3.839,898 2.131,899 1.265,900 0.956,901 6.782,902 10.165,903 3.871,904 4.477,905 4.987,906 5.408,907 5.909,908 6.161,909 6.475,910 6.588,911 6.606,912 6.523,913 0.9,914 62,915 13,917 5.978,918 7.931,919 24.181,921 20.654,924 2.431,925 82.667,929 353.133,930 145.789,931 22.654,933 105.603,935 5.807,936 139.981,937 458.736,938 22.654,939 36.93,940 32.521,941 72.141,942 104.012,943 28.441,945 353.133,947 353.133,948 162.635,949 105.603,950 5.807,952 306.049,953 152.687,956 51.69,957 110.945,958 5.807,960 353.133,961 128.256,962 145.789,964 5.807,965 353.133,966 36.718,967 107.906,968 18.011,969 105.603,970 353.133,971 128.256,972 145.789,973 0.608,974 0.371,975 0.173,976 0.09,977 28,978 14,979 0.088,980 6,981 1,982 1.095,983 4.361,984 319.058,985 0.095,986 21,987 158.974,992 1,993 24.713,994 9.33,995 4.625,997 128.256,998 12.383,1003 3.368,1005 18.011,1006 627.178,1007 47,1011 -3.72,1013 51.818,1017 -0.118,1020 65.389,1021 73.275,1022 0.269,1023 0.598,1024 0.804,1025 0.849,1026 0.849,1027 0.849,1028 5.176,1029 1.909,1030 6.184,1031 6.28,1032 4.727,1033 5.165,1034 2.833,1035 7.124,1036 4.662,1037 6.429,1038 1.506,1039 7.85,1040 6.091,1041 4.691,1042 5.33,1043 2.221,1044 8.554,1045 4.587,1046 7.803,1047 1.196,1048 9.638,1049 4.175,1050 6.524,1051 7.436,1052 3.74,1053 11.645,1054 6.39,1055 9.22,1056 1.052,1057 11.498,1058 3.344,1059 7.287,1060 8.403,1061 3.821,1062 13.888,1063 7.113,1064 10.676,1065 1,1066 13.407,1067 2.801,1068 8.7,1069 10.103,1070 4.922,1071 16.643,1072 8.499,1073 12.159,1074 1,1075 15.35,1076 2.275,1077 9.777,1078 11.394,1079 5.292,1080 19.157,1081 9.541,1082 13.664,1083 0.682,1084 17.318,1085 2.275,1086 11.076,1087 12.976,1088 6.198,1089 21.829,1090 10.814,1091 3.66,1092 0.397,1093 19.305,1094 1.379,1095 12.275,1096 14.404,1097 6.71,1098 24.429,1099 11.983,1100 3.49,1101 14.278,1102 21.305,1103 0.946,1104 13.548,1105 15.953,1106 7.516,1107 27.078,1108 13.233,1109 2.795,1110 13.591,1111 23.317,1112 4.772,1113 14.793,1114 17.444,1115 8.104,1116 29.706,1117 14.456,1118 2.634,1119 8.578,1120 25.336,1121 4.174,1122 16.065,1123 18.985,1124 8.855,1125 32.35,1126 15.707,1127 2.475,1128 8.454,1129 27.363,1130 3.636,1131 17.33,1132 20.506,1133 9.485,1134 34.987,1135 16.954,1136 2.23,1137 7.332,1138 29.394,1139 3.121,1140 18.605,1141 22.049,1142 10.207,1143 37.63,1144 18.213,1145 2.171,1146 7.17,1147 31.429,1148 3.087,1149 19.879,1150 23.584,1151 10.862,1152 40.271,1153 19.473,1154 17121,1155 28386,1156 23.463,1157 42.597,1158 57.697,1159 60.319,1160 59.889,1161 57.117,1162 57.083,1163 70.763,1164 12.961,1165 179.099,1166 55.285,1167 5.953,1168 6.728,1169 7.365,1170 5.727,1171 5.66,1172 7.772,1173 3.529,1174 22.606,1175 5.62,1176 22.169,1177 1.559,1178 1.63,1179 1.619,1180 1.544,1181 1.543,1182 1.913,1183 0.35,1184 4.841,1185 1.494,1186 4.143,1187 4.142,1188 4.743,1189 4.11,1190 7.715,1191 4.05,1192 3.94,1193 3.973,1194 3.947,1195 3.855,1196 7.43,1197 3.855,1198 3.905,1199 3.927,1200 3.872,1201 3.802,1202 7.425,1203 3.774,1204 3.728,1205 3.729,1206 3.7,1207 3.623,1208 6.999,1209 3.59,1210 3.451,1211 3.506,1212 3.363,1213 3.299,1214 4.868,1215 3.282,1216 3.363,1217 3.422,1218 3.282,1219 3.159,1220 4.698,1221 3.163,1222 3.264,1223 3.331,1224 3.098,1225 3.025,1226 4.398,1227 3.026,1228 3.194,1229 3.252,1230 3.06,1231 2.941,1232 4.232,1233 2.929,1234 0.134,1235 0.128,1236 0.211,1237 0.126,1238 0.099,1239 4.953,1240 0.129,1241 4.728,1242 0.054,1243 7.81,1244 0.386,1245 4.647,1246 0.098,1247 3.66,1248 4.772,1249 2.015,1250 14.278,1251 3.62,1252 1.988,1253 1.993,1254 2.048,1255 2.081,1256 1.43,1257 2.111,1258 1.908,1259 1.883,1260 2.013,1261 2.01,1262 1.252,1263 2.018,1264 1.823,1265 1.781,1266 1.991,1267 1.952,1268 1.151,1269 1.967,1270 1.649,1271 1.615,1272 1.832,1273 1.837,1274 1.016,1275 1.84,1276 1.467,1277 1.468,1278 1.61,1279 1.686,1280 0.825,1281 1.69,1282 1.322,1283 1.264,1284 1.598,1285 1.578,1286 0.773,1287 1.597,1288 1.193,1289 1.119,1290 1.513,1291 1.478,1292 0.689,1293 1.497,1294 1.153,1295 1.064,1296 1.504,1297 1.376,1298 0.604,1299 1.429,1300 4.317,1302 5.7,1303 2.398,1304 7.283,1305 5.043,1306 8.946,1307 7.357,1308 10.652,1310 6.927,1315 1.903,1317 2.953,1318 5.143,1320 -0.227,1321 3.011,1322 -0.773,1326 40.2,1327 105.413,1328 234.109,1329 314.783,1330 332.434,1331 332.434,1332 332.434,1333 101.024,1334 8.034,1335 96.02,1336 104.4,1337 23,1338 13.007,1339 4.087,1340 3.459,1341 57.397,1342 172,1343 204,1344 0.161,1345 249.081,1346 444.16,1347 599.518,1348 37737,1350 24.673,1351 0.726,1352 0.612,1353 24.923,1354 20.815,1355 16.051,1356 0.434,1357 0.347,1358 11.341,1359 14.612,1360 10.802,1361 8.966,1362 16.84,1363 12.829,1364 15.532,1365 0.277,1366 0.203,1367 16.851,1368 11.35,1369 13.752,1370 0.181,1371 0.116,1372 15.08,1373 8.825,1374 10.169,1375 0.111,1376 0.067,1377 11.234,1378 6.193,1379 7.92,1380 0.069,1381 0.04,1382 8.905,1383 4.593,1384 0.261,1385 109.091,1386 0.206,1387 31.918,1388 0.423,1389 186,1390 557.161,1391 244.052,1392 549.082,1393 737.05,1394 506,1395 225,1396 504.711,1397 291.813,1398 549.786,1399 804.89,1400 512,1401 4.258}
{0 CHEMBL1396166,1 1.845,2 11.516,3 4.666,4 21.775,5 124.461,6 8.865,7 0.364,8 4.055,9 4.154,10 3.799,11 3.613,12 5.266,13 3.585,14 4.563,15 4.723,16 4.191,17 3.979,18 5.82,19 3.941,20 4.723,21 4.876,22 4.273,23 4.114,24 5.926,25 4.046,26 4.87,27 5.073,28 4.26,29 4.111,30 6.101,31 4.008,32 4.747,33 4.945,34 4.185,35 4.062,36 5.926,37 3.97,38 4.688,39 4.836,40 4.199,41 4.078,42 5.931,43 4.002,44 4.77,45 4.931,46 4.24,47 4.056,48 6.021,49 3.975,50 4.693,51 4.868,52 4.119,53 3.962,54 6.088,55 3.906,56 0.178,57 0.763,58 8.271,59 4.683,60 7.48,61 5.407,62 0.529,63 1.202,64 19.993,65 7.415,66 50.749,67 8.7,68 0.436,69 1.352,70 24.444,71 9.768,72 30.858,73 11.071,74 0.795,75 1.461,76 37.083,77 11.984,78 99.065,79 13.781,80 0.632,81 1.421,82 33.224,83 10.632,84 51.77,85 11.766,86 0.443,87 1.334,88 25.647,89 9.907,90 52.219,91 10.662,92 0.716,93 1.392,94 35.278,95 10.598,96 71.827,97 10.657,98 0.714,99 1.217,100 22.911,101 8.956,102 100.099,103 11.147,104 61,105 46,106 0.306,107 0.634,108 0.768,109 0.831,110 0.831,111 0.831,112 3.472,113 0.955,114 -4.68,115 -4.6,116 -4.33,120 40.4,125 3,126 2,136 1,139 1,143 7,144 1,145 4,159 1,160 1,167 2,174 6,176 3,177 7,185 8,188 1,189 12,197 7,200 1,201 13,209 5,213 3,214 12,222 4,227 8,235 2,239 3,240 9,247 5,251 5,252 6,260 6,263 3,264 3,271 6,274 1726,275 20.386,276 20.386,277 20.386,278 20.386,279 20.386,280 18.124,281 24.194,282 11.877,283 21.161,284 16.184,285 16.184,286 16.184,287 16.184,288 16.184,289 12.651,290 26.191,291 5.569,292 17.409,293 3.855,294 1.88,295 1.075,296 0.697,297 0.697,298 0.697,299 4.149,303 1,306 1,307 1,308 740,309 3.937,312 96.253,313 227.231,320 1.854,321 38.963,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 68.333,333 357,334 4.462,335 4.732,336 6.691,337 4.097,338 3.178,339 4.149,340 3.659,341 10.784,342 2.93,343 4.378,344 3.82,345 6.366,346 3.913,347 2.969,348 3.819,349 2.612,350 9.563,351 2.786,352 4.055,353 3.466,354 5.659,355 3.612,356 2.648,357 3.619,358 1.187,359 7.665,360 2.549,361 3.796,362 3.222,363 5.456,364 3.344,365 2.387,366 3.22,367 0.86,368 7.171,369 2.281,370 3.597,371 2.943,372 5.215,373 3.147,374 2.224,375 2.942,376 0.8,377 6.455,378 2.06,379 3.408,380 2.86,381 5.056,382 3.114,383 2.174,384 2.674,385 0.63,386 5.837,387 2.019,388 3.241,389 2.576,390 4.734,391 2.832,392 1.903,393 2.384,394 0.218,395 5.179,396 1.746,397 3.171,398 2.418,399 4.692,400 2.713,401 1.799,402 2.212,404 4.751,405 1.575,406 2.903,407 2.299,408 4.59,409 2.443,410 1.574,411 1.905,413 4.611,414 1.332,415 2.607,416 1.825,417 3.61,418 2,419 1,420 1.596,422 2.425,423 1,424 2.5,425 1.41,426 3.432,427 2,428 1,429 1.5,431 2.275,432 1,433 2.161,434 1.198,435 3.414,436 1.768,437 0.791,438 0.958,440 1.875,441 0.758,442 1.724,443 1,444 3.037,445 1.447,446 0.578,447 0.638,449 0.988,450 0.496,451 1.459,452 1,453 2.886,454 1.095,455 0.208,456 0.244,458 0.509,459 0.165,460 1.277,461 0.852,462 2.603,463 0.953,464 0.021,465 0.025,467 0.044,468 0.019,469 14.981,470 0.483,471 0.894,472 0.029,473 40.75,474 1.315,475 20.5,476 0.661,477 20.25,478 0.653,479 26.598,480 0.858,481 33.619,482 0.647,483 33.671,484 1.086,485 8.229,486 0.265,487 6.549,488 0.211,489 0.215,491 0.347,496 0.548,497 1.336,498 0.616,499 0.962,500 0.513,501 0.927,502 0.82,503 0.904,504 0.69,505 0.715,506 0.467,507 0.689,508 0.843,509 1.194,510 0.94,511 1.13,512 0.704,513 1.075,514 0.9,515 1.027,516 1.007,517 1.013,518 0.922,519 0.944,520 0.876,521 0.92,522 1.066,523 1.031,524 0.883,525 0.811,526 1.022,527 1.268,528 1.063,529 1.203,530 1.132,531 1.058,532 1.148,533 1.154,534 1.19,535 1.307,536 1.402,537 1.138,538 0.582,539 1.066,540 0.658,541 0.955,542 0.651,543 1.03,544 7.5,545 0.285,546 3.556,547 2.576,548 1.691,549 1.355,550 0.82,551 0.579,552 0.573,553 0.277,554 11960,555 42067,556 1.975,557 40.4,559 21,567 1.742,568 1.806,569 3.468,570 -0.671,575 95.946,576 1.845,577 3.82,578 4.625,579 5.003,580 5.003,581 5.003,582 2.961,583 4.567,584 4.921,585 3.684,586 1713.24,587 8.628,588 24831.5,593 296.423,594 1.541,595 4.858,596 0.227,597 0.01,598 0.077,599 0.055,600 0.039,601 0.031,602 0.018,603 0.014,604 0.014,605 0.008,606 0.493,607 0.17,608 0.88,609 1.29,610 161.221,611 0.109,612 -0.17,613 0.049,614 -0.03,615 -0.014,616 -0.037,617 0.032,618 0.214,619 0.142,620 0.24,621 0.166,622 0.229,623 -0.04,624 -0.123,625 -0.019,626 -0.131,627 -0.008,628 -0.122,629 0.033,630 -0.043,631 0.08,632 0.042,633 0.05,634 0.071,635 -0.034,636 0.194,637 0.011,638 0.133,639 0.007,640 0.189,641 -0.15,642 -0.182,643 -0.097,644 -0.099,645 -0.09,646 -0.092,647 -0.123,648 -0.042,649 -0.137,650 -0.184,651 -0.213,652 -0.194,653 0.322,654 -0.091,655 0.109,656 -0.091,657 0.304,658 -0.078,659 2.548,660 6.067,661 0.548,662 34.098,663 1.021,664 1.124,665 3.454,666 11.929,667 0.696,668 3.526,669 3.85,670 4.078,671 4.304,672 4.511,673 4.585,674 4.718,675 4.844,676 4.963,677 5.056,678 7.07,679 0.667,680 460.98,681 3.526,682 5.069,683 5.905,684 6.779,685 7.639,686 8.518,687 9.389,688 10.272,689 11.149,690 12.035,691 7.7,694 1,698 1,700 1,702 1,709 7,714 5,716 12,731 1,735 1,737 1,738 52,739 17,740 2,741 33,743 54,744 21,745 12,746 5,747 7,748 4,752 3,753 3,754 1,768 16,769 5,772 5,775 1,778 3,780 1,781 1,782 3,786 1,789 21,790 7,792 10,793 2,797 4,803 1,804 4,822 1,823 2,839 1,845 2,851 1,855 3,856 1,857 1,859 3,860 1,862 31,869 2,872 1,873 1,875 2,885 1,886 7.7,889 1,891 1,892 2,893 17.167,894 10.443,895 6.889,896 2.827,898 3.275,899 1.441,900 0.948,901 7.73,902 10.708,903 3.807,904 4.382,905 4.887,906 5.399,907 5.915,908 6.176,909 6.575,910 6.916,911 7.256,912 7.602,913 0.875,914 47,915 11.447,917 4.813,918 8.009,919 21.207,921 16.682,924 2.509,925 77.778,928 1,929 247.193,930 164.308,931 28.704,932 39.149,933 86.892,935 32.22,936 132.089,937 373.234,938 28.704,939 33.346,940 7.336,941 75.81,942 31.4,943 48.353,944 0.693,945 279.413,946 89.896,947 247.193,948 160.793,949 86.892,950 71.368,952 247.193,953 36.145,954 50.747,956 27.246,957 116.85,958 55.846,959 32.22,960 247.193,961 115.596,962 203.457,965 247.193,966 60.823,967 115.404,969 142.826,970 247.193,971 115.596,972 203.457,973 0.583,974 0.33,975 0.168,976 0.094,977 20,978 11,979 0.13,980 7,982 1,983 4.102,984 270.677,986 17,987 145.58,989 1,993 23.29,994 10.289,995 5.862,997 109.926,998 11.664,1003 1.767,1006 566.246,1007 44,1010 -0.548,1013 35.397,1015 1.621,1016 4.636,1017 0.783,1020 53.069,1021 58.432,1022 0.324,1023 0.67,1024 0.811,1025 0.878,1026 0.878,1027 0.878,1028 5.05,1029 1.799,1030 5.905,1031 5.179,1032 4.533,1033 5.069,1034 3.785,1035 6.706,1036 4.396,1037 6.266,1038 1.574,1039 7.467,1040 4.751,1041 4.205,1042 4.945,1043 2.876,1044 7.6,1045 3.975,1046 7.579,1047 1,1048 9.124,1049 4.611,1050 6.125,1051 7.224,1052 5.98,1053 10.666,1054 5.864,1055 8.923,1056 1,1057 10.835,1058 2.425,1059 6.567,1060 7.855,1061 5.468,1062 12.375,1063 6.204,1064 10.295,1065 0.791,1066 12.582,1067 2.275,1068 7.995,1069 9.65,1070 8.427,1071 14.979,1072 7.605,1073 11.687,1074 0.578,1075 14.355,1076 1.875,1077 8.794,1078 10.633,1079 8.105,1080 17.05,1081 8.298,1082 13.095,1083 0.208,1084 16.147,1085 0.988,1086 10.033,1087 12.225,1088 10.935,1089 19.491,1090 9.499,1091 3.178,1092 0.021,1093 17.955,1094 0.509,1095 11.006,1096 13.391,1097 10.779,1098 21.724,1099 10.367,1100 2.969,1101 10.784,1102 19.776,1103 0.044,1104 12.171,1105 14.885,1106 13.469,1107 24.109,1108 11.481,1109 2.648,1110 9.563,1111 21.608,1112 4.149,1113 13.227,1114 16.152,1115 13.468,1116 26.412,1117 12.439,1118 2.387,1119 7.665,1120 23.45,1121 3.819,1122 14.366,1123 17.598,1124 16.016,1125 28.779,1126 13.514,1127 2.224,1128 7.171,1129 25.299,1130 3.619,1131 15.462,1132 18.922,1133 16.156,1134 31.114,1135 14.518,1136 2.174,1137 6.455,1138 27.154,1139 3.22,1140 16.595,1141 20.344,1142 18.57,1143 33.477,1144 15.579,1145 1.903,1146 5.837,1147 29.015,1148 2.942,1149 17.712,1150 21.702,1151 18.836,1152 35.828,1153 16.607,1154 11939,1155 22658,1156 21.096,1157 36.199,1158 49.591,1159 53.574,1160 51.619,1161 49.048,1162 48.908,1163 63.77,1164 19.934,1165 140.266,1166 45.434,1167 5.408,1168 6.732,1169 6.243,1170 5.242,1171 5.178,1172 7.149,1173 7.14,1174 17.875,1175 4.93,1176 19.859,1177 1.503,1178 1.623,1179 1.564,1180 1.486,1181 1.482,1182 1.932,1183 0.604,1184 4.25,1185 1.377,1186 4.024,1187 4.044,1188 4.132,1189 3.938,1190 7.815,1191 3.933,1192 3.921,1193 3.948,1194 4.017,1195 3.829,1196 7.428,1197 3.832,1198 3.779,1199 3.821,1200 3.812,1201 3.651,1202 6.999,1203 3.637,1204 3.609,1205 3.667,1206 3.519,1207 3.407,1208 4.927,1209 3.404,1210 3.47,1211 3.5,1212 3.505,1213 3.108,1214 4.892,1215 3.166,1216 3.269,1217 3.325,1218 3.355,1219 2.991,1220 4.601,1221 3.034,1222 3.175,1223 3.245,1224 3.126,1225 2.962,1226 4.398,1227 2.965,1228 2.992,1229 3.063,1230 3.041,1231 2.839,1232 4.327,1233 2.804,1234 0.135,1235 0.143,1236 0.203,1237 0.124,1238 0.096,1239 4.462,1240 0.126,1241 4.732,1242 0.111,1243 6.691,1244 0.327,1245 4.097,1246 0.089,1247 3.178,1248 4.149,1249 3.659,1250 10.784,1251 2.93,1252 1.933,1253 1.917,1254 1.993,1255 2.073,1256 1.146,1257 2.037,1258 1.88,1259 1.857,1260 1.981,1261 1.99,1262 1.119,1263 1.988,1264 1.658,1265 1.584,1266 1.895,1267 1.905,1268 1.049,1269 1.907,1270 1.462,1271 1.449,1272 1.623,1273 1.721,1274 0.745,1275 1.664,1276 1.338,1277 1.276,1278 1.569,1279 1.628,1280 0.624,1281 1.59,1282 1.197,1283 1.142,1284 1.453,1285 1.517,1286 0.573,1287 1.527,1288 1.151,1289 1.104,1290 1.417,1291 1.402,1292 0.469,1293 1.412,1294 0.994,1295 0.919,1296 1.264,1297 1.239,1298 0.286,1299 1.308,1300 4.205,1302 5.525,1303 2.398,1304 7.024,1305 4.844,1306 8.604,1307 7.002,1308 10.229,1310 5.447,1311 5.89,1315 1.125,1318 5.17,1319 1.231,1321 3.596,1326 34.701,1327 95.946,1328 198.666,1329 240.507,1330 260.158,1331 260.158,1332 260.158,1333 76.92,1334 7.434,1335 92.65,1336 120.89,1337 17,1338 12.569,1339 4.17,1340 3.585,1341 57.911,1342 130,1343 147,1344 0.217,1345 223.381,1346 399.46,1347 536.811,1348 15896,1349 1.9,1350 22.543,1351 0.727,1352 0.607,1353 23.397,1354 18.814,1355 14.778,1356 0.448,1357 0.318,1358 9.232,1359 13.32,1360 8.816,1361 7.374,1362 15.475,1363 10.505,1364 13.581,1365 0.295,1366 0.181,1367 14.594,1368 8.347,1369 10.746,1370 0.185,1371 0.099,1372 11.911,1373 5.747,1374 8.486,1375 0.116,1376 0.054,1377 9.805,1378 3.978,1379 6.752,1380 0.075,1381 0.03,1382 7.814,1383 2.706,1384 0.339,1385 101.245,1386 0.218,1387 29.092,1388 0.601,1389 158,1390 562.586,1391 217.797,1392 585.287,1393 766.69,1394 540,1395 183,1396 513.899,1397 237.409,1398 543.085,1399 786.3,1400 503,1401 5.123}
{0 CHEMBL1397452,1 1.485,2 8.5,3 3.983,4 15.861,5 78.795,6 7.412,7 0.55,8 3.646,9 3.772,10 3.294,11 3.269,12 4.618,13 3.187,14 4.203,15 4.393,16 3.628,17 3.669,18 5.063,19 3.553,20 4.46,21 4.709,22 3.549,23 3.721,24 5.241,25 3.569,26 4.464,27 4.746,28 3.413,29 3.618,30 5.247,31 3.448,32 4.31,33 4.615,34 3.137,35 3.408,36 5.089,37 3.242,38 3.911,39 4.177,40 2.894,41 3.126,42 4.697,43 2.976,44 3.673,45 3.913,46 2.875,47 3.019,48 4.463,49 2.853,50 3.647,51 3.851,52 2.834,53 3.104,54 4.403,55 2.882,56 0.054,57 0.541,58 8.154,59 3.52,60 6.934,61 4.657,62 0.118,63 0.901,64 16.306,65 6.153,66 10.529,67 8.106,68 0.187,69 1.085,70 22.504,71 7.642,72 15.439,73 10.502,74 0.183,75 1.046,76 22.694,77 7.368,78 19.312,79 10.387,80 0.193,81 0.875,82 19.542,83 6.003,84 20.793,85 8.506,86 0.113,87 0.602,88 12.188,89 3.975,90 12.534,91 5.833,92 0.073,93 0.49,94 9.801,95 3.532,96 8.639,97 4.733,98 0.076,99 0.495,100 12.784,101 4.471,102 6.952,103 5.148,104 2,105 27,106 0.275,107 0.586,108 0.775,109 0.817,110 0.817,111 0.817,112 2.96,113 1.1,114 -5.03,115 -4.93,116 -4.62,120 40,121 1,122 2,123 1,126 2,143 4,147 1,148 1,152 1,153 1,167 1,174 5,176 1,177 5,185 5,188 1,189 6,197 2,201 6,209 5,214 4,222 4,227 4,235 2,240 2,247 1,260 4,271 4,274 330,275 12.43,276 12.43,277 12.43,278 12.43,279 12.43,280 11.173,281 9.679,282 7.436,283 12.815,284 9.875,285 9.875,286 9.875,287 9.875,288 9.875,289 8.045,290 13.321,291 3.536,292 10.498,293 3.644,294 1.961,295 0.936,296 0.707,297 0.707,298 0.707,299 3.641,305 1,306 1,307 1,308 335,309 1.581,312 51.005,313 113.826,320 1.5,321 7.444,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 37.5,333 153,334 4.275,335 3.122,336 6.199,337 3.877,338 2.938,339 3.915,340 0.8,341 9.232,342 2.756,343 3.987,344 2.825,345 6.078,346 3.688,347 2.758,348 3.412,350 8.844,351 2.569,352 3.446,353 2.326,354 5.047,355 3.294,356 2.311,357 2.681,359 6.108,360 2.261,361 3.242,362 1.929,363 4.578,364 2.813,365 1.883,366 2.357,368 4.848,369 1.739,370 2.655,371 1.512,372 4.222,373 2.36,374 1.414,375 1.681,377 3.798,378 1.332,379 2.5,380 1.077,381 3.414,382 1.984,383 1,384 1.5,386 2.275,387 0.983,388 2.294,389 1,390 3.414,391 1.983,392 1,393 1.208,395 2.275,396 0.982,397 2.118,398 0.862,399 3.275,400 1.783,401 0.846,402 1,404 2.02,405 0.78,406 2,407 0.618,408 3,409 1.462,410 0.618,411 0.927,413 1.372,414 0.506,415 1.065,416 -0.044,417 2.565,418 0.877,419 -0.102,420 -0.111,422 -0.228,423 -0.1,424 0.655,425 -0.526,426 2.112,427 0.395,428 -0.58,429 -0.71,431 -1.357,432 -0.563,433 0.5,434 -0.784,435 2,436 -0.049,437 -1,438 -1,440 -2.994,441 -0.946,442 0.046,443 -1,444 2,445 -0.05,446 -1,447 -1.329,449 -3,450 -0.947,452 -1.192,453 1.615,454 -0.278,455 -1.252,456 -1.5,458 -3,459 -1.201,460 -0.118,461 -1.407,462 1.064,463 -0.451,464 -1.414,465 -1.724,467 -3.16,468 -1.273,469 9.033,470 0.502,471 0.346,472 0.019,473 21.75,474 1.208,475 10.5,476 0.583,477 11.25,478 0.625,479 14.48,480 0.804,481 19.167,482 0.548,483 11.154,484 0.62,485 3.742,486 0.208,487 5.084,488 0.282,489 0.055,491 0.266,496 0.672,497 1.169,498 0.765,499 0.95,500 0.653,501 0.966,502 0.998,503 1.105,504 0.914,505 0.963,506 0.64,507 0.963,508 1.027,509 1.1,510 0.929,511 1.003,512 0.783,513 1.013,514 1.148,515 1.04,516 0.808,517 0.868,518 1.13,519 0.919,520 1.527,521 0.746,522 0.793,523 0.639,524 1.567,525 0.744,526 1.222,527 0.964,528 0.774,529 0.833,530 1.458,531 0.964,532 1.231,533 0.94,534 0.906,535 0.86,536 1.162,537 0.97,538 1.237,539 0.999,540 1.892,541 1.527,542 1.234,543 1.26,544 3,545 0.038,546 2.222,547 0.528,548 0.454,549 0.479,550 0.348,551 0.084,552 0.054,553 0.061,554 3109,555 6577,556 2.154,557 48.6,558 4,559 8,560 1,564 4,567 1.58,568 2.077,569 3.09,570 -0.763,572 1,575 51.98,576 1.485,577 3.168,578 4.193,579 4.422,580 4.422,581 4.422,582 2.585,583 3.197,584 4.14,585 3.21,586 491.138,587 6.995,588 4616.93,590 1,592 1,593 179.525,594 1.135,595 4.128,596 0.15,597 0.009,598 0.082,599 0.022,600 0.023,601 0.03,602 0.029,603 0.008,604 0.005,605 0.009,606 0.367,607 0.83,608 1,609 0.463,610 76.942,611 0.244,612 -0.039,613 0.096,614 0.017,615 0.223,616 0.009,617 0.063,618 -0.029,619 0.033,620 0.012,621 0.188,622 -0.001,623 0.057,624 -0.114,625 -0.022,626 -0.088,627 0.145,628 -0.066,629 -0.013,630 -0.099,631 0.058,633 0.042,634 0.015,635 -0.2,636 0.201,637 0.054,638 0.185,639 -0.197,640 0.165,641 -0.107,642 -0.008,643 -0.004,644 -0.016,645 -0.263,646 -0.04,647 -0.162,648 0.065,649 0.026,650 0.081,651 -0.166,652 -0.016,653 -0.358,654 0.093,655 -0.385,656 -0.177,657 -0.408,658 -0.207,659 0.695,660 1.366,661 0.944,662 13.259,663 0.988,664 1.123,665 3.796,666 14.412,667 0.686,668 3.045,669 3.332,670 3.584,671 3.784,672 3.932,673 3.97,674 4.043,675 4.043,676 4.111,677 4.111,678 5.038,679 0.627,680 259.41,681 3.045,682 4.554,683 5.389,684 6.24,685 7.089,686 7.944,687 8.797,688 9.654,689 10.509,690 11.367,691 8.6,697 1,701 2,709 5,710 2,713 1,714 3,716 11,732 1,738 35,739 11,741 20,743 37,744 14,745 8,752 3,753 3,759 1,763 2,764 1,766 2,768 8,769 6,770 1,786 1,789 17,790 3,792 4,793 1,797 3,803 1,815 1,822 1,823 2,855 3,857 1,859 1,862 18,869 4,874 1,875 1,880 1,893 8.667,894 6.517,895 3.972,896 2.3,898 1.926,899 1.302,900 0.985,901 3.485,902 8.3,903 3.277,904 3.801,905 4.339,906 4.859,907 5.22,908 5.503,909 5.874,910 6.116,911 6.36,912 6.428,913 0.833,914 24,915 6.658,917 2.77,918 7.398,919 13.299,921 11.128,924 1.898,925 34.167,926 0.004,929 200.109,930 101.38,931 36.45,935 31.278,936 70.103,937 200.109,938 36.45,939 8.825,940 9.28,941 45.554,942 33.326,943 5.881,944 15.457,945 219.615,947 200.109,948 106.553,950 31.278,952 153.024,953 47.084,956 20.862,957 52.365,958 33.326,959 31.278,960 200.109,961 36.45,962 101.38,965 200.109,966 47.001,967 57.504,969 33.326,970 200.109,971 36.45,972 101.38,973 0.575,974 0.333,975 0.173,976 0.087,977 14,978 5,979 0.054,980 2,982 1,983 3.188,984 126.844,986 17,987 71.059,989 1,993 11.945,994 5.252,995 2.679,997 36.45,998 10.361,999 8.7,1002 1.702,1003 3.169,1006 337.94,1007 25.5,1020 34.567,1021 39.321,1022 0.29,1023 0.618,1024 0.818,1025 0.862,1026 0.862,1027 0.862,1028 4.486,1029 0.846,1030 5.342,1031 2.275,1032 4.007,1033 4.483,1034 0.673,1035 6.094,1036 3.893,1037 5.639,1038 0.618,1039 6.862,1040 2.02,1041 3.434,1042 3.98,1043 0.325,1044 6.88,1045 3.252,1046 6.902,1047 -0.102,1048 8.481,1049 1.372,1050 5.541,1051 6.544,1052 0.379,1053 9.932,1054 5.312,1055 8.202,1056 -0.58,1057 10.16,1058 -0.228,1059 5.832,1060 6.952,1061 0.268,1062 11.571,1063 5.509,1064 9.536,1065 -1,1066 11.879,1067 -1.357,1068 7.345,1069 8.892,1070 0.239,1071 14.092,1072 6.993,1073 10.893,1074 -1,1075 13.624,1076 -2.994,1077 8.028,1078 9.732,1079 0.188,1080 16.063,1081 7.576,1082 12.268,1083 -1.252,1084 15.388,1085 -3,1086 9.291,1087 11.391,1088 0.156,1089 18.396,1090 8.805,1091 2.938,1092 -1.414,1093 17.164,1094 -3,1095 10.164,1096 12.457,1097 0.125,1098 20.502,1099 9.583,1100 2.758,1101 9.232,1102 18.95,1103 -3.16,1104 11.314,1105 13.975,1106 0.102,1107 22.761,1108 10.691,1109 2.311,1110 8.844,1111 20.743,1112 3.915,1113 12.281,1114 15.165,1115 0.082,1116 24.925,1117 11.57,1118 1.883,1119 6.108,1120 22.541,1121 3.412,1122 13.38,1123 16.609,1124 0.066,1125 27.155,1126 12.618,1127 1.414,1128 4.848,1129 24.343,1130 2.681,1131 14.394,1132 17.87,1133 0.054,1134 29.343,1135 13.551,1136 1,1137 3.798,1138 26.148,1139 2.357,1140 15.471,1141 19.275,1142 0.043,1143 31.56,1144 14.572,1145 1,1146 2.275,1147 27.956,1148 1.681,1149 16.509,1150 20.576,1151 0.035,1152 33.76,1153 15.534,1154 2977,1155 4484,1156 13.811,1157 23.995,1158 30.082,1159 29.463,1160 29.854,1161 29.48,1162 29.538,1163 37.361,1164 1.6,1165 81.544,1166 27.816,1167 5.275,1168 5.122,1169 5.796,1170 4.951,1171 4.938,1172 6.915,1173 1.2,1174 15.477,1175 4.708,1176 5.266,1177 1.504,1178 1.473,1179 1.493,1180 1.474,1181 1.477,1182 1.868,1183 0.08,1184 4.077,1185 1.391,1186 3.98,1187 4.023,1188 4.233,1189 3.951,1190 5.039,1191 3.895,1192 3.837,1193 3.875,1194 3.821,1195 3.744,1196 4.615,1197 3.726,1198 3.63,1199 3.672,1200 3.592,1201 3.532,1202 4.309,1203 3.52,1204 3.206,1205 3.3,1206 3.034,1207 3.004,1208 3.899,1209 2.996,1210 3.111,1211 3.206,1212 2.866,1213 2.941,1214 3.833,1215 2.91,1216 2.767,1217 2.852,1218 2.682,1219 2.622,1220 3.501,1221 2.611,1222 2.643,1223 2.745,1224 2.607,1225 2.376,1226 3.474,1227 2.374,1228 2.492,1229 2.603,1230 2.54,1231 2.357,1232 3.131,1233 2.235,1234 0.214,1235 0.156,1236 0.31,1237 0.194,1238 0.147,1239 4.275,1240 0.196,1241 3.122,1242 0.04,1243 6.199,1244 0.462,1245 3.877,1246 0.138,1247 2.938,1248 3.915,1249 0.8,1250 9.232,1251 2.756,1252 1.886,1253 1.834,1254 2.076,1255 2.058,1256 1.43,1257 2.063,1258 1.745,1259 1.706,1260 1.851,1261 1.882,1262 0.948,1263 1.883,1264 1.452,1265 1.414,1266 1.631,1267 1.569,1268 0.825,1269 1.596,1270 1.296,1271 1.28,1272 1.55,1273 1.466,1274 0.759,1275 1.509,1276 1.153,1277 1.07,1278 1.513,1279 1.376,1280 0.657,1281 1.429,1282 1.14,1283 1.064,1284 1.179,1285 1.207,1286 0.487,1287 1.294,1288 0.686,1289 0.585,1290 1.072,1291 0.969,1292 0.278,1293 1.021,1294 0.45,1295 0.346,1296 0.785,1297 0.837,1299 0.798,1300 3.714,1302 5.004,1303 2.398,1304 6.491,1305 4.443,1306 8.06,1307 6.293,1308 9.67,1310 2.322,1315 4.727,1320 0.847,1321 2.338,1326 21.939,1327 51.98,1328 110.896,1329 146.77,1330 154.77,1331 154.77,1332 154.77,1333 19.122,1334 6.373,1335 29.02,1336 57.26,1337 17,1338 11.919,1339 3.585,1340 2.7,1341 25.934,1342 55,1343 50,1344 0.24,1345 139.76,1346 230.19,1347 332.774,1348 4185,1350 12.372,1351 0.687,1352 0.631,1353 12.726,1354 11.359,1355 8.826,1356 0.441,1357 0.367,1358 6.473,1359 8.108,1360 6.213,1361 5.174,1362 9.281,1363 7.333,1364 7.739,1365 0.287,1366 0.217,1367 8.323,1368 5.871,1369 6.61,1370 0.189,1371 0.126,1372 7.291,1373 4.424,1374 5.274,1375 0.123,1376 0.069,1377 5.929,1378 2.978,1379 3.931,1380 0.079,1381 0.037,1382 4.249,1383 1.849,1384 0.374,1385 58.983,1386 0.269,1387 18.289,1388 0.659,1389 94,1390 223.796,1391 122.194,1392 243.25,1393 341.63,1394 230,1395 109,1396 246.679,1397 134.59,1398 263.985,1399 383.08,1400 249,1401 5.556}
{0 CHEMBL1398826,1 1.966,2 5.947,3 2.482,4 6.159,5 78.441,6 12.044,7 0.476,8 3.493,9 3.585,10 3.511,11 3.171,12 4.759,13 3.13,14 3.959,15 4.068,16 3.963,17 3.591,18 5.138,19 3.524,20 4.12,21 4.227,22 4.164,23 3.695,24 5.296,25 3.596,26 4.238,27 4.403,28 3.938,29 3.686,30 5.55,31 3.614,32 4.224,33 4.387,34 4.096,35 3.659,36 5.512,37 3.57,38 4.068,39 4.235,40 3.922,41 3.437,42 5.44,43 3.297,44 3.776,45 4.045,46 3.913,47 2.863,48 5.009,49 2.64,50 2.905,51 3.262,52 1.491,53 1.902,54 3.384,55 1.353,56 0.105,57 0.443,58 0.522,59 2.161,60 11.15,61 1.971,62 0.208,63 0.672,64 5.248,65 4.326,66 17.473,67 4.368,68 0.267,69 0.776,70 24.053,71 6.085,72 22.585,73 4.808,74 0.341,75 0.928,76 6.075,77 5.321,78 47.649,79 5.181,80 0.334,81 0.922,82 14.366,83 6.16,84 33.084,85 5.557,86 0.271,87 0.787,88 10.721,89 5.868,90 28.638,91 4.658,92 0.361,93 0.478,94 14.324,95 4.478,96 46.342,97 3.99,98 0.155,99 0.14,100 41.272,101 4.16,102 14.988,103 4.241,104 18,105 31,106 0.375,107 0.816,108 0.87,109 0.87,110 0.87,111 0.87,112 3.014,113 1.022,114 -3.36,115 -3.34,116 -3.2,118 1,120 42.9,121 1,123 1,137 1,140 1,143 1,144 1,145 1,148 1,152 1,153 2,159 1,164 1,165 1,166 1,170 1,174 2,176 1,177 4,179 1,180 1,182 3,185 6,187 1,189 4,192 1,194 2,197 6,199 1,200 1,201 3,203 2,204 2,206 2,209 2,211 1,214 6,218 1,219 4,221 1,222 4,224 2,226 1,227 1,230 1,232 1,237 1,240 3,245 2,247 1,249 1,274 415,275 12.732,276 12.732,277 12.732,278 12.732,279 12.732,280 11.031,281 15.402,282 7.218,283 13.319,284 10.277,285 10.277,286 10.277,287 10.277,288 10.277,289 7.693,290 17.53,291 3.306,292 11.311,293 2.841,294 0.527,295 0.241,296 0.241,297 0.241,298 0.241,299 3.681,306 1,307 1,308 240,309 2.236,312 76.808,313 43.34,316 67.225,320 0.809,321 18.417,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.75,333 113,334 4.642,335 4.154,336 7.087,337 4.311,338 3.344,339 4.231,340 2.278,341 12.27,342 3.235,343 4.122,344 3.636,345 6.159,346 3.636,347 2.706,348 3.723,349 1.248,350 8.853,351 2.548,352 4.028,353 3.017,354 5.756,355 3.466,356 2.554,357 3.502,358 1.041,359 7.769,360 2.259,361 3.334,362 2.804,363 5.145,364 2.962,365 2.091,366 2.492,368 6.135,369 1.764,370 3.276,371 2.705,372 4.846,373 2.665,374 1.75,375 2.266,377 5.073,378 1.569,379 3.025,380 2.098,381 4.36,382 2.208,383 1.332,384 1.708,386 3.749,387 1.106,388 2.636,389 1.71,390 3.867,391 2.029,392 1.082,393 1.567,395 2.626,396 1.016,397 2.234,398 1.226,399 3.346,400 1.543,401 0.733,402 1.081,404 1.73,405 0.565,406 2.091,407 0.81,408 3.243,409 1.425,410 0.477,411 0.727,413 0.942,414 0.446,415 1.123,416 0.554,417 2.731,418 0.704,419 -0.224,420 -0.255,422 -0.457,423 -0.204,424 0.89,425 0.199,426 2.356,427 0.514,428 -0.395,429 -0.57,431 -1.018,432 -0.294,433 0.452,434 -0.121,435 2.202,436 0.12,437 -0.754,438 -0.861,440 -1.82,441 -0.436,442 0.356,443 -0.358,444 2,445 -0.243,446 -0.881,447 -1.081,449 -2.142,450 -0.779,451 -0.016,452 -0.852,453 1.641,454 -0.421,455 -1.331,456 -1.536,458 -3.577,459 -1.19,460 -0.069,461 -0.889,462 1.601,463 -0.516,464 -1.462,465 -1.819,467 -4.192,468 -1.29,469 10.1,470 0.532,471 0.559,472 0.029,473 24.5,474 1.289,475 12.5,476 0.658,477 12,478 0.632,479 17.166,480 0.903,481 18.7,482 0.668,483 13.703,484 0.721,485 4.398,486 0.231,487 4.715,488 0.248,489 0.261,491 0.396,496 0.908,497 0.789,498 0.491,499 0.582,500 0.721,501 0.608,502 0.675,503 0.888,504 0.588,505 0.727,506 0.409,507 0.694,508 1.164,509 1.096,510 0.972,511 1.047,512 0.792,513 1.066,514 0.982,515 0.885,516 0.346,517 0.633,518 0.914,519 0.825,520 1.019,521 1.192,522 0.726,523 0.981,524 1.162,525 0.925,526 1.207,527 1.43,528 1.147,529 1.41,530 1.339,531 1.412,532 0.992,533 0.789,534 1.609,535 1.146,536 1.899,537 1.233,538 0.915,539 0.275,540 4.567,541 2.122,542 0.4,543 1.409,544 4,546 2.444,547 2.007,548 1.506,549 0.928,550 0.488,551 0.069,554 2677,555 10580,556 2.05,557 32.1,559 1,560 1,562 3,563 4,567 1.615,568 1.869,569 2.567,570 1.251,572 1,574 1,575 55.057,576 1.966,577 4.28,578 4.566,579 4.566,580 4.566,581 4.566,582 1.871,583 3.932,584 4.222,585 2.689,586 459.899,587 7.251,588 4466.54,589 1,590 1,592 1,593 134.606,594 1.529,595 4.153,596 0.19,598 0.079,599 0.065,600 0.047,601 0.031,602 0.024,603 0.011,606 0.448,607 0.5,608 1,609 0.92,610 78.922,611 -0.111,612 0.251,613 -0.01,614 0.13,615 -0.075,616 0.108,617 0.173,618 0.076,619 0.024,620 0.111,621 0.128,622 0.153,623 -0.159,624 -0.133,625 -0.058,626 -0.109,627 -0.119,628 -0.21,629 -0.04,630 0.121,631 0.027,632 0.118,633 0.096,634 0.034,635 -0.038,636 -0.204,637 0.009,638 -0.037,639 -0.076,640 0.023,641 -0.228,642 -0.383,643 -0.128,644 -0.371,645 -0.109,646 -0.474,647 0.151,648 0.089,649 0.167,650 0.008,651 -0.28,652 -0.003,653 0.058,654 0.255,655 -0.769,656 -0.155,657 0.264,658 0.513,659 1.552,660 3.348,661 0.737,662 10.044,663 1.025,664 1.115,665 2.125,666 4.518,667 0.777,668 3.091,669 3.466,670 3.807,671 4.159,672 4.344,673 4.454,674 4.533,675 4.489,676 4.234,677 4.06,678 3.974,679 0.735,680 337.22,681 3.091,682 4.654,683 5.541,684 6.463,685 7.375,686 8.302,687 9.221,688 10.149,689 11.071,690 11.998,691 14.3,692 1,699 1,700 1,701 1,709 2,710 1,711 1,713 1,714 5,716 10,735 1,737 1,738 28,739 12,741 21,742 1,743 30,744 12,745 7,752 3,753 4,759 1,764 1,767 1,768 9,769 2,770 1,772 1,782 2,786 1,789 9,790 4,791 3,792 7,793 2,797 4,803 0.667,804 1,814 1,822 2,823 1,826 1,833 1,846 1,848 1,855 2,857 1,858 1,859 1,862 19,863 1,872 1,874 1,877 1,880 1,882 1,884 1,885 1,886 3.6,891 1,893 10.167,894 5.46,895 4.167,896 1.512,898 2.273,899 1.343,900 1.016,901 3.213,902 8.896,903 3.401,904 4.016,905 4.618,906 5.225,907 5.545,908 5.933,909 6.346,910 6.614,911 6.605,912 6.697,913 0.75,914 31,915 6.953,917 3.006,918 7.873,919 13.036,921 10.83,924 2.373,925 45.083,926 0.001,929 70.627,930 97.001,931 143.237,933 11,935 31.278,936 111.677,937 81.626,938 97.283,939 8.825,940 32.897,941 17.125,942 33.265,943 72.963,944 20.701,945 90.133,946 45.954,947 70.627,948 163.005,949 11,950 31.278,951 45.954,952 70.627,953 11,956 89.445,957 56.898,958 16.663,959 77.232,960 70.627,961 108.282,962 142.955,965 70.627,966 54.448,967 25.951,968 79.219,969 91.619,970 70.627,971 108.282,972 142.955,973 0.591,974 0.367,975 0.217,976 0.117,977 17,978 8,979 0.033,980 1,981 1,982 1.143,983 2.968,984 150.925,985 0.143,986 14,987 80.711,989 1,993 12.857,994 4.748,995 2.022,997 91.619,998 3.965,999 4.08,1000 2.877,1002 1.568,1003 4.214,1005 49.56,1006 321.864,1007 29,1017 0.544,1020 28.691,1021 31.21,1022 0.409,1023 0.89,1024 0.95,1025 0.95,1026 0.95,1027 0.95,1028 4.677,1029 0.733,1030 5.565,1031 2.626,1032 4.143,1033 4.7,1034 2.759,1035 6.463,1036 3.977,1037 5.929,1038 0.477,1039 7.179,1040 1.73,1041 3.892,1042 4.59,1043 1.06,1044 7.542,1045 3.665,1046 7.269,1047 -0.224,1048 8.893,1049 0.942,1050 5.814,1051 6.924,1052 4.07,1053 10.707,1054 5.554,1055 8.644,1056 -0.395,1057 10.666,1058 -0.457,1059 6.382,1060 7.648,1061 2.057,1062 12.639,1063 6.098,1064 10.048,1065 -0.754,1066 12.479,1067 -1.018,1068 7.807,1069 9.425,1070 5.62,1071 15.348,1072 7.49,1073 11.474,1074 -0.881,1075 14.319,1076 -1.82,1077 8.731,1078 10.523,1079 3.537,1080 17.627,1081 8.4,1082 12.917,1083 -1.331,1084 16.181,1085 -2.142,1086 9.987,1087 12.078,1088 7.233,1089 20.193,1090 9.629,1091 3.344,1092 -1.462,1093 18.059,1094 -3.577,1095 11.065,1096 13.348,1097 5.286,1098 22.611,1099 10.691,1100 2.706,1101 12.27,1102 19.951,1103 -4.192,1104 12.27,1105 14.815,1106 8.862,1107 25.133,1108 11.87,1109 2.554,1110 8.853,1111 21.853,1112 4.231,1113 13.415,1114 16.165,1115 7.087,1116 27.605,1117 12.995,1118 2.091,1119 7.769,1120 23.764,1121 3.723,1122 14.609,1123 17.599,1124 10.494,1125 30.114,1126 14.162,1127 1.75,1128 6.135,1129 25.683,1130 3.502,1131 15.784,1132 18.987,1133 8.88,1134 32.607,1135 15.313,1136 1.332,1137 5.073,1138 27.608,1139 2.492,1140 16.978,1141 20.412,1142 12.128,1143 35.114,1144 16.479,1145 1.082,1146 3.749,1147 29.538,1148 2.266,1149 18.167,1150 21.82,1151 10.654,1152 37.615,1153 17.641,1154 2705,1155 5464,1156 13.641,1157 21.762,1158 33.921,1159 34.886,1160 34.474,1161 32.291,1162 32.138,1163 42.594,1164 9.135,1165 98.297,1166 29.015,1167 5.481,1168 5.973,1169 6.591,1170 5.418,1171 5.344,1172 6.948,1173 4.525,1174 19.815,1175 5.183,1176 10.059,1177 1.615,1178 1.661,1179 1.642,1180 1.538,1181 1.53,1182 2.028,1183 0.435,1184 4.681,1185 1.382,1186 4.052,1187 4.08,1188 6.881,1189 4.014,1190 6.82,1191 3.971,1192 3.782,1193 3.797,1194 4.199,1195 3.744,1196 5.179,1197 3.711,1198 3.552,1199 3.598,1200 3.911,1201 3.397,1202 4.928,1203 3.418,1204 3.053,1205 3.14,1206 3.522,1207 2.815,1208 4.645,1209 2.817,1210 2.95,1211 3.071,1212 2.955,1213 2.732,1214 4.17,1215 2.692,1216 2.831,1217 2.903,1218 2.738,1219 2.602,1220 3.827,1221 2.632,1222 2.452,1223 2.53,1224 2.707,1225 2.467,1226 3.586,1227 2.278,1228 2.373,1229 2.427,1230 2.474,1231 2.141,1232 3.226,1233 2.127,1234 0.221,1235 0.198,1236 0.337,1237 0.205,1238 0.159,1239 4.642,1240 0.201,1241 4.154,1242 0.108,1243 7.087,1244 0.584,1245 4.311,1246 0.154,1247 3.344,1248 4.231,1249 2.278,1250 12.27,1251 3.235,1252 1.839,1253 1.828,1254 1.9,1255 1.941,1256 1.19,1257 1.932,1258 1.484,1259 1.429,1260 1.689,1261 1.758,1262 0.778,1263 1.732,1264 1.435,1265 1.413,1266 1.472,1267 1.499,1268 0.645,1269 1.526,1270 1.249,1271 1.258,1272 1.253,1273 1.403,1274 0.407,1275 1.381,1276 1.122,1277 1.071,1278 1.197,1279 1.299,1280 0.149,1281 1.351,1282 0.813,1283 0.706,1284 1.031,1285 1.171,1286 0.036,1287 1.152,1288 0.76,1289 0.642,1290 1.016,1291 1.036,1293 1.071,1294 0.309,1295 0.227,1296 0.63,1297 0.586,1299 0.613,1300 3.761,1302 5.118,1303 3.045,1304 6.668,1305 5.352,1306 8.319,1307 7.391,1308 10.033,1309 3.43,1310 1.904,1313 5.822,1318 5.4,1320 -0.219,1324 9.348,1325 2.149,1326 20.593,1327 55.057,1328 119.851,1329 127.851,1330 127.851,1331 127.851,1332 127.851,1333 28.464,1334 6.623,1335 87.72,1336 115.96,1337 16,1338 12.503,1339 3.7,1340 3.17,1341 27.393,1342 43,1343 48,1344 0.319,1345 137.425,1346 229.38,1347 327.076,1348 5168,1349 3.6,1350 13.569,1351 0.714,1352 0.647,1353 14.922,1354 12.301,1355 9.113,1356 0.434,1357 0.341,1358 5.529,1359 7.788,1360 5.249,1361 4.325,1362 10.145,1363 7.151,1364 8.433,1365 0.272,1366 0.194,1367 9.8,1368 6.018,1369 7.29,1370 0.166,1371 0.108,1372 8.693,1373 4.76,1374 6.551,1375 0.104,1376 0.059,1377 7.959,1378 3.725,1379 4.964,1380 0.065,1381 0.033,1382 6.264,1383 2.541,1384 0.46,1385 69.96,1386 0.271,1387 18.092,1388 1.021,1389 104,1390 328.186,1391 201.744,1392 380.016,1393 507.81,1394 352,1395 127,1396 339.111,1397 194.702,1398 369.575,1399 540.81,1400 346,1401 4.834}
{0 CHEMBL1399064,1 1.618,2 7.65,3 4.107,4 16.867,5 75.705,6 8.558,7 0.773,8 3.57,9 3.667,10 3.253,11 3.162,12 4.9,13 3.165,14 3.981,15 4.098,16 3.574,17 3.51,18 5.193,19 3.499,20 4.225,21 4.403,22 3.658,23 3.55,24 5.499,25 3.537,26 4.213,27 4.397,28 3.617,29 3.458,30 5.63,31 3.463,32 4.125,33 4.29,34 3.529,35 3.393,36 5.496,37 3.414,38 4.078,39 4.236,40 3.361,41 3.296,42 5.499,43 3.3,44 3.934,45 4.113,46 3.006,47 3.137,48 5.27,49 3.08,50 3.702,51 3.927,52 2.528,53 2.925,54 4.799,55 2.782,56 0.118,57 0.454,58 4.623,59 2.511,60 11.797,61 2.785,62 0.107,63 0.69,64 7.141,65 3.862,66 7.051,67 4.52,68 0.276,69 0.861,70 12.141,71 4.961,72 25.692,73 6.163,74 0.383,75 0.836,76 12.649,77 4.466,78 46.252,79 5.393,80 0.26,81 0.752,82 11.127,83 3.997,84 28.8,85 4.143,86 0.301,87 0.672,88 10.977,89 4.013,90 38.19,91 3.861,92 0.272,93 0.548,94 10.368,95 4.013,96 40.813,97 4.237,98 0.171,99 0.43,100 8.879,101 3.682,102 27.135,103 4.61,104 6,105 30,106 0.299,107 0.52,108 0.601,109 0.74,110 0.809,111 0.82,112 3.059,113 0.828,114 -4.05,115 -3.99,116 -3.78,120 48.4,143 10,144 1,145 2,147 1,154 1,167 2,174 10,177 3,180 1,185 10,188 2,189 8,192 2,197 5,200 2,201 10,204 1,206 3,214 10,219 4,222 2,227 8,232 3,235 6,240 4,245 1,247 9,252 1,260 8,271 4,274 442,275 13.905,276 13.905,277 13.905,278 13.905,279 13.905,280 11.802,281 10.395,282 8.366,283 14.101,284 10.804,285 10.804,286 10.804,287 10.804,288 10.804,289 7.705,290 8.977,291 3.877,292 11.105,293 3.336,294 2.143,295 1.701,296 0.952,297 0.581,298 0.516,299 3.739,306 1,307 1,308 329,309 2,312 52.14,313 126.084,320 1.185,321 18.856,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43.5,333 153,334 4.633,335 3.428,336 6.879,337 4.22,338 3.266,339 4.39,340 0.894,341 11.453,342 3.117,343 4.06,344 2.823,345 6.192,346 3.673,347 2.699,348 3.622,350 9.064,351 2.624,352 3.738,353 2.567,354 5.553,355 3.292,356 2.315,357 3.261,359 6.999,360 2.259,361 3.204,362 2.215,363 4.685,364 2.732,365 1.757,366 2.489,368 4.546,369 1.71,370 3.045,371 1.749,372 4.355,373 2.587,374 1.613,375 2.246,377 4.002,378 1.568,379 2.671,380 1.617,381 3.603,382 2.162,383 1.199,384 1.697,386 2.764,387 1.151,388 2.529,389 1.156,390 3.505,391 2.024,392 1.057,393 1.542,395 2.617,396 1.018,397 2.5,398 1.022,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 2.169,416 1,417 3.023,418 1.467,419 0.491,420 0.755,422 0.873,423 0.477,424 0.994,425 0.234,426 2.513,427 0.569,428 -0.365,429 -0.49,431 -0.678,432 -0.337,433 0.798,434 -0.542,435 2.303,436 0.382,437 -0.602,438 -0.803,440 -1.407,441 -0.591,442 0.544,443 -0.796,444 2.088,445 0.075,446 -0.889,447 -1.24,449 -1.959,450 -0.854,451 0.5,452 -0.991,453 1.555,455 -1,456 -1.5,458 -2.347,459 -1,460 0.5,461 -1,462 1.555,464 -1,465 -1.5,467 -2.347,468 -1,469 9.367,470 0.468,471 0.363,472 0.018,473 31,474 1.55,475 18.5,476 0.925,477 12.5,478 0.625,479 10.512,480 0.526,481 20.033,482 0.646,483 20.934,484 1.047,485 6.426,486 0.321,487 3.383,488 0.169,489 0.071,491 0.31,496 0.596,497 0.924,498 0.665,499 0.825,500 0.626,501 0.782,502 0.523,503 1.346,504 0.766,505 1.138,506 0.502,507 1.033,508 0.655,509 1.074,510 0.779,511 1.007,512 0.603,513 0.935,514 0.879,515 1.101,516 0.862,517 0.917,518 0.737,519 0.87,520 1.541,521 1.076,522 1.056,523 0.922,524 1.305,525 0.871,526 1.889,527 0.958,528 1.316,529 0.99,530 1.831,531 1.018,532 1.703,533 0.824,534 1.397,535 1.02,536 1.941,537 1.135,538 0.952,539 0.809,540 1.262,541 1.103,542 1.239,543 1.242,544 2.5,546 2.222,547 1.764,548 1.167,549 0.737,550 0.296,551 0.106,552 0.053,553 0.023,554 3503,555 10683,556 2.107,557 35.5,559 10,562 1,567 1.624,568 2,569 2.953,570 -0.271,572 1,575 50.168,576 1.618,577 2.811,578 3.253,579 4.002,580 4.374,581 4.438,582 2.441,583 3.646,584 4.292,585 3.036,586 576.875,587 7.366,588 5752.58,590 1,591 1,592 1,593 153.58,594 1.295,595 4.266,596 0.114,598 0.074,599 0.057,600 0.04,601 0.027,602 0.013,603 0.007,604 0.006,605 0.006,606 0.344,607 0.67,608 1,609 0.764,610 86.738,611 0.129,612 0.133,613 0.031,614 0.093,615 -0.009,616 0.038,617 0.078,618 -0.309,619 -0.039,620 -0.218,621 -0.038,622 -0.176,623 0.202,624 -0.046,625 0.145,626 -0.076,627 0.111,628 -0.006,629 0.195,630 -0.047,631 0.112,632 -0.01,633 0.246,634 0.034,635 -0.3,636 -0.029,637 -0.109,638 -0.022,639 -0.118,640 -0.01,641 -0.421,642 0.025,643 -0.333,644 -0.061,645 -0.257,646 -0.143,647 -0.364,648 0.06,649 -0.359,650 -0.017,651 -0.329,652 -0.152,653 -0.109,654 0.007,655 -0.186,656 -0.029,657 -0.184,658 -0.112,659 1.926,660 4.131,661 0.85,662 13.11,663 1.016,664 1.115,665 2.815,666 7.927,667 0.709,668 3.135,669 3.434,670 3.761,671 4.043,672 4.234,673 4.263,674 4.344,675 4.344,676 4.29,677 4.143,678 4.638,679 0.697,680 265.29,681 3.135,682 4.654,683 5.517,684 6.399,685 7.286,686 8.18,687 9.076,688 9.977,689 10.878,690 11.782,691 9.7,699 1,701 1,704 1,709 10,710 1,714 5,715 1,716 17,730 1,734 1,738 31,739 18,740 2,741 22,743 33,744 15,745 15,746 2,747 10,752 3,753 3,768 15,772 1,778 1,781 1,786 1,789 11,790 4,791 1,792 5,797 3,803 1,804 2,814 1,822 1,823 2,855 3,862 20,868 1,886 6.5,888 1,889 1,893 10,894 5.55,895 4.556,896 1.733,898 2.969,899 1.453,900 0.97,901 3.214,902 9.528,903 3.481,904 4.082,905 4.735,906 5.358,907 5.864,908 6.142,909 6.579,910 6.941,911 7.254,912 7.464,913 1,914 31,915 7.324,917 3.135,918 7.967,919 13.592,921 10.923,924 2.467,925 49.333,929 117.711,930 106.218,931 37.723,933 68.057,936 106.218,937 185.768,938 37.723,941 94.762,942 84.72,943 13.232,944 19.284,945 117.711,947 117.711,948 143.941,949 68.057,952 117.711,953 68.057,956 4.533,957 103.462,958 35.947,960 117.711,961 105.78,962 106.218,965 117.711,966 11.456,967 96.539,969 104.003,970 117.711,971 105.78,972 106.218,973 0.566,974 0.351,975 0.205,976 0.111,977 15,978 6,979 0.091,980 3,982 1,983 3.213,984 153.692,986 17,987 78.439,993 12.425,994 5.174,995 2.197,997 104.003,998 18.251,999 4.294,1003 1.441,1004 1.305,1005 42.683,1006 329.709,1007 31.5,1013 11.003,1016 2.909,1020 31.494,1021 34.575,1022 0.327,1023 0.567,1024 0.657,1025 0.808,1026 0.883,1027 0.896,1028 4.675,1029 1,1030 5.485,1031 2.617,1032 4.111,1033 4.766,1034 0.956,1035 6.323,1036 4.051,1037 5.882,1038 1,1039 7.055,1040 2.136,1041 3.611,1042 4.407,1044 7.306,1045 3.478,1046 7.181,1047 0.491,1048 8.738,1049 2.136,1050 5.707,1051 6.985,1052 0.824,1053 10.47,1054 5.573,1055 8.527,1056 -0.365,1057 10.49,1058 0.873,1059 6.133,1060 7.555,1062 12.333,1063 5.914,1064 9.913,1065 -0.602,1066 12.287,1067 -0.678,1068 7.65,1069 9.513,1070 0.705,1071 15.004,1072 7.426,1073 11.329,1074 -0.889,1075 14.112,1076 -1.407,1077 8.494,1078 10.532,1080 17.199,1081 8.189,1082 12.767,1083 -1,1084 15.959,1085 -1.959,1086 9.787,1087 12.218,1088 0.598,1089 19.711,1090 9.463,1091 3.266,1092 -1,1093 17.82,1094 -2.347,1095 10.818,1096 13.463,1098 22.041,1099 10.423,1100 2.699,1101 11.453,1102 19.692,1103 -2.347,1104 12.028,1105 15.027,1106 0.504,1107 24.499,1108 11.601,1109 2.315,1110 9.064,1111 21.573,1112 4.39,1113 13.14,1114 16.386,1116 26.887,1117 12.651,1118 1.757,1119 6.999,1120 23.46,1121 3.622,1122 14.323,1123 17.896,1124 0.422,1125 29.328,1126 13.794,1127 1.613,1128 4.546,1129 25.353,1130 3.261,1131 15.471,1132 19.313,1134 31.741,1135 14.886,1136 1.199,1137 4.002,1138 27.251,1139 2.489,1140 16.647,1141 20.801,1142 0.35,1143 34.177,1144 16.018,1145 1.057,1146 2.764,1147 29.152,1148 2.246,1149 17.811,1150 22.247,1152 36.602,1153 17.13,1154 3438,1155 6128,1156 14.909,1157 21.972,1158 33.46,1159 33.961,1160 34.033,1161 32.86,1162 32.793,1163 46.004,1164 1.789,1165 93.18,1166 31.848,1167 5.292,1168 5.428,1169 6.681,1170 5.22,1171 5.266,1172 7.39,1173 1.789,1174 18.965,1175 5.117,1176 7.31,1177 1.521,1178 1.544,1179 1.547,1180 1.494,1181 1.491,1182 2.091,1183 0.081,1184 4.235,1185 1.448,1186 4.06,1187 4.099,1188 4.035,1189 3.94,1190 7.529,1191 3.954,1192 3.861,1193 3.892,1194 3.792,1195 3.805,1196 6.47,1197 3.798,1198 3.672,1199 3.71,1200 3.615,1201 3.523,1202 4.913,1203 3.546,1204 3.002,1205 3.047,1206 2.979,1207 2.8,1208 4.73,1209 2.804,1210 2.874,1211 2.925,1212 2.79,1213 2.735,1214 4.53,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.915,1224 2.687,1225 2.657,1226 3.674,1227 2.678,1228 2.69,1229 2.725,1230 2.575,1231 2.243,1232 3.674,1233 2.363,1234 0.211,1235 0.156,1236 0.313,1237 0.192,1238 0.148,1239 4.633,1240 0.2,1241 3.428,1242 0.041,1243 6.879,1244 0.521,1245 4.22,1246 0.142,1247 3.266,1248 4.39,1249 0.894,1250 11.453,1251 3.117,1252 1.91,1253 1.883,1254 2.022,1255 2.014,1256 1.097,1257 2.014,1258 1.895,1259 1.865,1260 2.011,1261 1.979,1262 1.078,1263 1.991,1264 1.419,1265 1.4,1266 1.465,1267 1.64,1268 0.568,1269 1.583,1270 1.212,1271 1.15,1272 1.303,1273 1.486,1274 0.344,1275 1.433,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.766,1289 0.718,1290 1.007,1291 1.013,1292 0.06,1293 0.989,1294 0.558,1295 0.494,1296 0.814,1297 0.926,1299 0.882,1300 3.807,1302 5.106,1303 2.398,1304 6.624,1305 4.844,1306 8.234,1307 7.034,1308 9.89,1314 10.131,1326 21.601,1327 50.168,1328 87.142,1329 100.851,1330 124.07,1331 135.58,1332 137.58,1333 30.477,1334 6.558,1335 67.48,1336 67.48,1337 17,1338 12.302,1339 4.248,1340 3.392,1341 29.717,1342 56,1343 51,1344 0.276,1345 134.504,1346 225.1,1347 319.95,1348 4932,1350 13.949,1351 0.697,1352 0.524,1353 13.949,1354 10.471,1355 9.809,1356 0.446,1357 0.276,1358 5.996,1359 9.441,1360 5.897,1361 4.916,1362 9.809,1363 6.072,1364 8.291,1365 0.276,1366 0.141,1367 8.291,1368 4.225,1369 7.427,1370 0.177,1371 0.071,1372 7.427,1373 2.976,1374 6.374,1375 0.114,1376 0.036,1377 6.374,1378 2.025,1379 4.965,1380 0.073,1381 0.019,1382 4.965,1383 1.306,1384 0.411,1385 61.641,1386 0.259,1387 19.53,1388 0.823,1389 104,1390 336.821,1391 113.843,1392 330.694,1393 450.78,1394 306,1395 124,1396 342.287,1397 135.702,1398 343.61,1399 497.62,1400 323,1401 5.413}
{0 CHEMBL1399287,1 1.529,2 12.313,3 5.444,4 29.634,5 124.608,6 7.423,7 0.611,8 4.175,9 4.287,10 3.748,11 3.703,12 5.27,13 3.693,14 4.709,15 4.871,16 4.146,17 4.104,18 5.767,19 4.085,20 4.953,21 5.132,22 4.219,23 4.244,24 6.011,25 4.196,26 5.074,27 5.322,28 4.144,29 4.241,30 6.046,31 4.166,32 4.946,33 5.158,34 4.096,35 4.224,36 5.947,37 4.148,38 4.957,39 5.173,40 4.072,41 4.233,42 5.957,43 4.151,44 4.971,45 5.16,46 4.02,47 4.227,48 6.036,49 4.129,50 5.108,51 5.377,52 3.848,53 4.132,54 6.064,55 3.995,56 0.062,57 0.849,58 12.054,59 5.351,60 10.935,61 6.791,62 0.229,63 1.375,64 22.72,65 8.803,66 27.583,67 11.607,68 0.352,69 1.723,70 29.82,71 10.838,72 38.128,73 14.651,74 0.628,75 1.878,76 37.043,77 11.523,78 59.142,79 16.756,80 0.393,81 1.71,82 30.46,83 10.646,84 37.741,85 14.992,86 0.366,87 1.702,88 31.02,89 11.169,90 43.352,91 15.41,92 0.23,93 1.656,94 30.633,95 12.119,96 47.077,97 16.085,98 0.695,99 1.714,100 40.538,101 13.316,102 85.534,103 18.783,104 18,105 53,106 0.247,107 0.589,108 0.703,109 0.777,110 0.798,111 0.804,112 3.503,113 0.893,114 -5.11,115 -5.01,116 -4.69,120 43.1,121 3,124 1,126 3,143 9,144 2,145 4,147 1,148 1,162 1,167 1,174 10,176 1,177 9,180 1,182 4,185 10,188 2,189 14,194 3,197 7,201 12,204 3,205 1,206 2,209 8,214 6,217 2,222 12,227 4,230 2,232 6,235 16,240 3,245 9,247 11,251 1,252 6,255 1,257 3,260 6,263 1,264 3,267 1,269 2,271 7,274 1680,275 21.488,276 21.488,277 21.488,278 21.488,279 21.488,280 18.939,281 30.767,282 12.498,283 21.998,284 17.82,285 17.82,286 17.82,287 17.82,288 17.82,289 13.836,290 39.67,291 5.993,292 18.686,293 4.329,294 2.214,295 1.506,296 1.048,297 0.919,298 0.884,299 4.21,306 1,307 1,308 875,309 3.606,312 70.873,313 348.837,316 125.942,317 147.219,320 1.813,321 27.225,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 69,333 394,334 4.798,335 3.653,336 7.333,337 4.456,338 3.476,339 4.72,340 0.86,341 12.735,342 3.41,343 4.279,344 3.258,345 6.638,346 3.984,347 3.019,348 3.917,349 0.86,350 10.492,351 2.911,352 4.225,353 3.172,354 6.184,355 3.868,356 2.924,357 3.658,358 0.657,359 9.228,360 2.757,361 4.091,362 2.963,363 6.064,364 3.697,365 2.736,366 3.554,368 8.738,369 2.629,370 3.692,371 2.538,372 5.697,373 3.301,374 2.332,375 3.072,377 7.419,378 2.264,379 3.555,380 2.36,381 5.252,382 3.187,383 2.235,384 2.866,386 6.648,387 2.113,388 3.222,389 2.179,390 4.931,391 2.752,392 1.787,393 2.509,395 5.311,396 1.721,397 2.962,398 1.941,399 4.416,400 2.531,401 1.618,402 2.144,404 4.37,405 1.485,406 2.923,407 1.804,408 4.412,409 2.513,410 1.554,411 2.061,413 4.052,414 1.469,415 2.609,416 1.665,417 4.195,418 2.329,419 1.412,420 1.655,422 3.461,423 1.281,424 2.5,425 1.333,426 3.624,427 2.141,428 1.195,429 1.5,431 3.015,432 1.128,433 2.49,434 1.14,435 3.556,436 2.023,437 1.058,438 1.49,440 2.636,441 1.016,442 2.406,443 1.013,444 3.332,445 2,446 1,447 1.379,449 2.136,450 1,451 1.986,452 1,453 3.247,454 1.664,455 0.742,456 0.896,458 1.771,459 0.678,460 1.752,461 0.744,462 3.156,463 1.455,464 0.528,465 0.631,467 1.324,468 0.486,469 15.1,470 0.472,471 0.946,472 0.03,473 43,474 1.344,475 22,476 0.688,477 21,478 0.656,479 28.817,480 0.901,481 34.1,482 0.588,483 33.162,484 1.036,485 8.213,486 0.257,487 7.185,488 0.225,489 0.121,490 0.033,491 0.325,496 0.892,497 1.218,498 0.787,499 1.07,500 0.978,501 0.938,502 1.001,503 1.134,504 0.771,505 0.944,506 0.682,507 0.844,508 1.046,509 1.362,510 1.021,511 1.174,512 0.852,513 1.106,514 0.979,515 0.886,516 0.939,517 0.771,518 1.093,519 0.82,520 0.9,521 1.077,522 1.059,523 1.01,524 0.922,525 1.036,526 0.958,527 0.916,528 1.067,529 0.979,530 1.024,531 1.014,532 1.086,533 1.311,534 1.239,535 1.386,536 1.493,537 1.35,538 1.131,539 0.847,540 1.03,541 0.883,542 1.747,543 0.936,544 7,545 0.21,546 4,547 2.194,548 2.571,549 1.445,550 1.003,551 0.573,552 0.411,553 0.242,554 14715,555 35773,556 2.127,557 44.8,558 9,559 15,562 2,567 1.746,568 1.99,569 3.545,570 0.177,575 88.7,576 1.529,577 3.644,578 4.352,579 4.81,580 4.939,581 4.974,582 3.043,583 4.195,584 4.97,585 3.726,586 1848.21,587 8.7,588 26518.5,593 339.763,594 1.54,595 4.926,596 0.194,597 0.008,598 0.075,599 0.041,600 0.051,601 0.03,602 0.021,603 0.014,604 0.012,605 0.008,606 0.454,607 0.17,608 0.88,609 0.688,610 167.323,611 -0.012,612 -0.059,613 0.062,614 -0.026,615 -0.133,616 0.018,617 0.02,618 -0.044,619 0.15,620 0.061,621 0.108,622 0.111,623 0.002,624 -0.288,625 -0.079,626 -0.196,627 0.003,628 -0.162,629 0.001,630 0.16,631 0.064,632 0.154,633 -0.037,634 0.127,635 -0.049,636 0.006,637 -0.116,638 -0.047,640 -0.081,641 -0.1,642 0.147,643 -0.121,644 -0.007,645 -0.045,646 -0.05,647 -0.123,648 -0.307,649 -0.304,650 -0.373,651 -0.089,652 -0.368,653 -0.009,654 0.048,655 0.018,656 0.08,657 -0.113,658 0.057,659 1.68,660 4.725,661 0.781,662 33.469,663 1.002,664 1.124,665 3.882,666 15.069,667 0.668,668 3.611,669 3.989,670 4.277,671 4.585,672 4.89,673 5.037,674 5.176,675 5.293,676 5.38,677 5.429,678 7.115,679 0.638,680 430.55,681 3.611,682 5.187,683 6.057,684 6.965,685 7.858,686 8.773,687 9.677,688 10.596,689 11.507,690 12.429,691 6.9,696 1,699 1,701 2,708 2,709 9,710 2,714 7,715 1,716 22,729 1,734 1,735 2,738 58,739 22,740 2,741 36,743 62,744 25,745 18,746 4,747 8,752 5,753 7,759 3,760 1,768 18,769 7,789 26,790 6,791 2,792 7,797 4,803 0.6,804 3,814 1,816 1,822 1,823 4,826 1,827 1,855 3,859 3,862 32,868 1,869 3,871 1,872 2,876 1,886 5.2,888 1,891 2,893 16.083,894 11.383,895 6.75,896 3.437,898 4.028,899 1.483,900 0.977,901 5.375,902 12.36,903 3.871,904 4.535,905 5.173,906 5.821,907 6.434,908 6.827,909 7.266,910 7.693,911 8.007,912 8.352,913 1,914 54,915 11.834,917 5.111,918 7.633,919 22.772,921 19.04,924 2.133,925 68.25,929 282.506,930 149.283,931 53.236,933 64.683,936 149.283,937 347.19,938 53.236,939 26.476,940 11.29,941 85.286,942 95.858,943 48.292,945 282.506,947 282.506,948 202.519,949 64.683,952 282.506,953 64.683,956 44.015,957 107.045,958 51.459,960 282.506,961 117.919,962 149.283,965 282.506,966 37.521,967 113.538,968 18.011,969 98.132,970 282.506,971 117.919,972 149.283,973 0.595,974 0.341,975 0.187,976 0.112,977 28,978 12,979 0.081,980 5,981 2,982 1.16,983 4.273,984 308.645,985 0.16,986 25,987 151.245,993 20.952,994 8.209,995 4.126,996 1.569,997 116.142,998 17.567,999 9.412,1003 4.871,1004 1.799,1005 60.694,1006 549.709,1007 47,1020 58.109,1021 65.189,1022 0.261,1023 0.622,1024 0.743,1025 0.821,1026 0.843,1027 0.849,1028 5.139,1029 1.618,1030 6.084,1031 5.311,1032 4.673,1033 5.223,1034 1.573,1035 6.963,1036 4.586,1037 6.381,1038 1.554,1039 7.688,1040 4.37,1041 4.443,1042 5.156,1044 8.122,1045 4.342,1046 7.721,1047 1.412,1048 9.403,1049 4.052,1050 6.368,1051 7.504,1052 1.27,1053 11.2,1054 6.215,1055 9.1,1056 1.195,1057 11.184,1058 3.461,1059 6.948,1060 8.257,1062 13.175,1063 6.786,1064 10.512,1065 1.058,1066 13.009,1067 3.015,1068 8.394,1069 10.11,1070 1.022,1071 15.843,1072 8.193,1073 11.948,1074 1,1075 14.863,1076 2.636,1077 9.325,1078 11.255,1080 18.139,1081 9.113,1082 13.404,1083 0.742,1084 16.74,1085 2.136,1086 10.602,1087 12.908,1088 0.818,1089 20.693,1090 10.362,1091 3.476,1092 0.528,1093 18.634,1094 1.771,1095 11.689,1096 14.251,1098 23.122,1099 11.436,1100 3.019,1101 12.735,1102 20.541,1103 1.324,1104 12.911,1105 15.825,1106 0.65,1107 25.649,1108 12.638,1109 2.924,1110 10.492,1111 22.46,1112 4.72,1113 14.068,1114 17.268,1116 28.135,1117 13.782,1118 2.736,1119 9.228,1120 24.388,1121 3.917,1122 15.278,1123 18.814,1124 0.511,1125 30.66,1126 14.976,1127 2.332,1128 8.738,1129 26.325,1130 3.658,1131 16.469,1132 20.308,1134 33.173,1135 16.153,1136 2.235,1137 7.419,1138 28.268,1139 3.554,1140 17.681,1141 21.848,1142 0.399,1143 35.703,1144 17.352,1145 1.787,1146 6.648,1147 30.218,1148 3.072,1149 18.89,1150 23.367,1152 38.229,1153 18.547,1154 13618,1155 21428,1156 24.156,1157 38.762,1158 55.809,1159 55.902,1160 55.737,1161 55.217,1162 55.227,1163 72.102,1164 4.755,1165 166.672,1166 52.694,1167 5.742,1168 5.653,1169 7.135,1170 5.596,1171 5.476,1172 7.72,1173 1.72,1174 20.655,1175 5.41,1176 14.557,1177 1.55,1178 1.553,1179 1.548,1180 1.534,1181 1.534,1182 2.003,1183 0.132,1184 4.63,1185 1.464,1186 4.155,1187 4.196,1188 4.133,1189 4.027,1190 6.475,1191 4.047,1192 3.947,1193 3.966,1194 3.9,1195 3.838,1196 5.055,1197 3.849,1198 3.836,1199 3.867,1200 3.767,1201 3.775,1202 4.95,1203 3.769,1204 3.673,1205 3.728,1206 3.561,1207 3.55,1208 4.691,1209 3.544,1210 3.495,1211 3.553,1212 3.372,1213 3.279,1214 4.436,1215 3.294,1216 3.366,1217 3.427,1218 3.257,1219 3.19,1220 4.316,1221 3.198,1222 3.049,1223 3.118,1224 2.935,1225 2.816,1226 4.215,1227 2.832,1228 2.898,1229 3.009,1230 2.806,1231 2.735,1232 4.143,1233 2.731,1234 0.133,1235 0.101,1236 0.204,1237 0.124,1238 0.097,1239 4.798,1240 0.131,1241 3.653,1242 0.024,1243 7.333,1244 0.354,1245 4.456,1246 0.095,1247 3.476,1248 4.72,1249 0.86,1250 12.735,1251 3.41,1252 1.952,1253 1.925,1254 2.043,1255 2.075,1256 1.259,1257 2.062,1258 1.895,1259 1.872,1260 2.013,1261 2.023,1262 1.134,1263 2.014,1264 1.864,1265 1.838,1266 1.986,1267 1.976,1268 1.095,1269 1.983,1270 1.69,1271 1.64,1272 1.867,1273 1.849,1274 1.027,1275 1.863,1276 1.43,1277 1.377,1278 1.684,1279 1.673,1280 0.913,1281 1.675,1282 1.249,1283 1.183,1284 1.446,1285 1.489,1286 0.647,1287 1.476,1288 1.112,1289 1.042,1290 1.417,1291 1.357,1292 0.469,1293 1.348,1294 0.934,1295 0.842,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 4.29,1302 5.652,1303 2.398,1304 7.209,1305 4.844,1306 8.852,1307 7.081,1308 10.543,1310 6.387,1314 10.725,1315 1.513,1317 3.351,1318 11.238,1322 -0.183,1326 37.025,1327 88.7,1328 211.346,1329 252.44,1330 278.969,1331 286.479,1332 288.479,1333 49.835,1334 8.332,1335 81.43,1336 81.43,1337 29,1338 12.938,1339 4.524,1340 3.585,1341 45.716,1342 138,1343 140,1344 0.163,1345 223.504,1346 379.63,1347 537.11,1348 52157,1350 22.294,1351 0.697,1352 0.576,1353 22.294,1354 18.423,1355 15.398,1356 0.428,1357 0.298,1358 10.557,1359 14.798,1360 10.206,1361 8.49,1362 15.398,1363 10.71,1364 14.868,1365 0.281,1366 0.168,1367 14.868,1368 8.9,1369 12.128,1370 0.171,1371 0.077,1372 12.128,1373 5.451,1374 10.336,1375 0.107,1376 0.04,1377 10.336,1378 3.857,1379 8.972,1380 0.068,1381 0.021,1382 8.972,1383 2.737,1384 0.256,1385 96.59,1386 0.203,1387 29.812,1388 0.448,1389 178,1390 488.889,1391 195.932,1392 470.961,1393 663.21,1394 444,1395 213,1396 512.317,1397 233.153,1398 516.316,1399 763.76,1400 486,1401 4.08}
{0 CHEMBL1399938,1 1.472,2 7.211,3 3.971,4 15.769,5 78.594,6 7.822,7 0.6,8 3.615,9 3.727,10 3.224,11 3.245,12 4.708,13 3.19,14 4.116,15 4.283,16 3.507,17 3.587,18 5.167,19 3.505,20 4.325,21 4.509,22 3.621,23 3.679,24 5.439,25 3.587,26 4.406,27 4.634,28 3.533,29 3.678,30 5.387,31 3.555,32 4.408,33 4.63,34 3.639,35 3.708,36 5.489,37 3.595,38 4.36,39 4.551,40 3.642,41 3.708,42 5.528,43 3.578,44 4.35,45 4.586,46 3.386,47 3.567,48 5.413,49 3.377,50 4.029,51 4.309,52 2.623,53 3.151,54 4.876,55 2.881,56 0.01,57 0.44,58 6.567,59 3.21,60 4.32,61 4.282,62 0.129,63 0.709,64 14.166,65 5.368,66 12.793,67 7.206,68 0.239,69 0.867,70 17.125,71 6.351,72 32.599,73 8.451,74 0.131,75 0.918,76 19.097,77 7.387,78 25.434,79 9.949,80 0.187,81 0.881,82 21.991,83 7.483,84 30.952,85 9.777,86 0.144,87 0.8,88 20.823,89 7.564,90 34.376,91 9.633,92 0.216,93 0.757,94 23.531,95 7.775,96 45.821,97 9.94,98 0.163,99 0.538,100 20.482,101 6.02,102 28.064,103 8.017,104 12,105 26,106 0.271,107 0.531,108 0.682,109 0.811,110 0.857,111 0.857,112 3.01,113 1.006,114 -5.09,115 -4.98,116 -4.67,120 45.7,121 1,126 2,143 9,144 2,145 1,159 1,174 11,176 1,177 3,185 12,189 6,197 6,201 7,209 3,214 5,222 9,227 4,235 14,240 1,247 14,260 7,271 2,274 481,275 12.853,276 12.853,277 12.853,278 12.853,279 12.853,280 11.22,281 14.696,282 7.819,283 12.989,284 9.815,285 9.815,286 9.815,287 9.815,288 9.815,289 7.411,290 19.706,291 3.652,292 10.071,293 3.657,294 2.249,295 1.43,296 0.729,297 0.479,298 0.479,299 3.667,300 1,305 1,306 1,307 1,308 281,309 3.082,313 134.198,320 0.981,321 13.299,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39.833,333 137,334 4.258,335 3.788,336 6.471,337 3.971,338 3.017,339 3.755,340 2.116,341 10.05,342 2.876,343 3.891,344 2.899,345 5.356,346 3.488,347 2.491,348 3.444,349 0.825,350 6.99,351 2.484,352 3.718,353 2.666,354 5.226,355 3.338,356 2.343,357 3.031,358 0.316,359 6.423,360 2.319,361 3.198,362 2.292,363 4.729,364 2.811,365 1.822,366 2.393,368 4.938,369 1.784,370 2.913,371 1.896,372 3.822,373 2.483,374 1.488,375 2.078,377 3.213,378 1.479,379 2.673,380 1.614,381 3.521,382 2.204,383 1.212,384 1.747,386 2.653,387 1.199,388 2.5,389 1.324,390 3.434,391 2,392 1,393 1.5,395 2.136,396 1,397 2.079,398 1.024,399 3.247,400 1.752,401 0.829,402 0.984,404 2.049,405 0.735,406 1.462,407 1,408 2.662,409 0.913,410 0.168,411 0.197,413 0.235,414 0.097,415 1.011,416 0.12,417 2.369,418 0.66,419 -0.329,420 -0.419,422 -0.772,423 -0.321,424 0.893,425 -0.13,426 2,427 0.565,428 -0.435,429 -0.539,431 -1.009,432 -0.432,433 0.597,434 -0.225,435 1.705,436 0.146,437 -0.844,438 -1.141,440 -2.168,441 -0.831,442 0.5,443 -0.735,444 1.555,446 -1,447 -1.5,449 -2.347,450 -1,451 0.214,452 -1,453 1.452,454 -0.177,455 -1.173,456 -1.576,458 -2.795,459 -1.172,460 -0.063,461 -1.027,462 1.362,463 -0.369,464 -1.352,465 -1.739,467 -3.338,468 -1.265,469 9.448,470 0.497,471 0.383,472 0.02,473 25.25,474 1.329,475 14,476 0.737,477 11.25,478 0.592,479 13.133,480 0.691,481 19.952,482 0.57,483 16.509,484 0.869,485 5.144,486 0.271,487 4.059,488 0.214,489 0.164,491 0.254,496 0.568,497 1.223,498 0.627,499 0.953,500 0.547,501 0.926,502 0.77,503 1.097,504 0.947,505 1.003,506 0.673,507 0.978,508 0.843,509 1.195,510 0.773,511 1.086,512 0.963,513 1.086,514 0.911,515 1.11,516 0.71,517 0.942,518 0.932,519 0.962,520 1.268,521 0.829,522 0.978,523 0.839,524 1.155,525 0.842,526 1.322,527 1.038,528 1.148,529 1.081,530 1.413,531 1.07,532 1.472,533 0.912,534 1.311,535 1.018,536 1.616,537 1.057,538 1.084,539 0.856,540 1.721,541 1.224,542 0.849,543 1.169,544 3.5,546 1.778,547 1.063,548 1.013,549 0.549,550 0.307,551 0.21,552 0.074,553 0.016,554 2888,555 8289,556 1.995,557 45.7,558 3,559 13,567 1.61,568 1.869,569 2.877,570 -0.828,572 1,575 51.525,576 1.472,577 2.88,578 3.7,579 4.4,580 4.651,581 4.651,582 2.215,583 3.932,584 4.221,585 2.98,586 509.65,587 7.224,588 5100.05,590 1,591 1,592 1,593 179.525,594 1.384,595 4.178,596 0.175,598 0.068,599 0.041,600 0.042,601 0.021,602 0.013,603 0.013,604 0.011,605 0.008,606 0.392,607 0.83,608 1,609 1.091,610 81.491,611 0.006,612 -0.132,613 0.018,614 -0.038,615 -0.048,616 -0.01,617 0.052,618 -0.024,619 -0.094,620 -0.073,621 -0.031,622 -0.052,623 0.145,624 -0.129,625 -0.036,626 -0.188,627 0.028,628 -0.178,629 -0.02,630 -0.103,631 0.051,632 -0.016,633 0.002,634 -0.013,635 -0.103,636 0.168,637 0.034,638 0.125,639 0.012,640 0.113,641 -0.1,642 -0.106,643 -0.053,644 -0.081,645 -0.029,646 -0.102,647 -0.177,648 -0.03,649 -0.083,650 0.011,651 -0.173,652 -0.058,653 -0.14,654 -0.007,655 -0.273,656 -0.148,657 -0.123,658 -0.113,659 1.754,660 5.022,661 0.632,662 11.668,663 0.995,664 1.114,665 3.857,666 14.873,667 0.697,668 3.045,669 3.296,670 3.497,671 3.689,672 3.871,673 3.761,674 3.738,675 3.689,676 3.526,677 3.135,678 4.62,679 0.651,680 273.78,681 3.045,682 4.533,683 5.342,684 6.184,685 7.017,686 7.867,687 8.707,688 9.56,689 10.404,690 11.258,691 2.9,698 1,709 9,714 3,716 12,738 35,739 13,740 2,741 20,743 36,744 16,745 12,746 3,747 9,750 1,752 2,753 2,754 1,759 2,768 13,769 3,772 1,778 1,782 1,786 1,789 16,790 2,792 3,793 1,797 1,803 1,804 1,823 2,839 1,855 2,859 1,860 1,862 19,869 2,875 1,885 1,886 2.9,889 1,893 10.167,894 6.51,895 4.389,896 1.98,898 1.991,899 1.333,900 0.958,901 4.722,902 7.965,903 3.332,904 3.85,905 4.317,906 4.794,907 5.279,908 5.19,909 5.388,910 5.674,911 5.815,912 5.815,913 0.8,914 26,915 7.004,917 2.834,918 7.751,919 13.381,921 10.467,924 2.251,925 42.778,926 0.001,929 188.338,930 112.899,931 3.124,932 39.149,933 25.145,936 112.899,937 252.631,938 3.124,939 8.825,940 8.08,941 85.286,942 29.85,943 9.128,945 227.486,947 188.338,948 116.024,949 25.145,950 39.149,952 188.338,953 25.145,956 16.905,957 99.119,958 39.149,960 188.338,961 28.269,962 152.048,965 188.338,966 18.788,967 97.236,969 64.294,970 188.338,971 28.269,972 152.048,973 0.561,974 0.324,975 0.172,976 0.098,977 11,978 5,979 0.083,980 3,982 1,983 3.089,984 131.613,986 12,987 74.711,993 13.787,994 6.507,995 3.662,997 28.269,998 17.787,1003 3.093,1006 368.655,1007 27,1013 12.022,1017 -0.087,1020 34.822,1021 38.973,1022 0.287,1023 0.562,1024 0.721,1025 0.858,1026 0.907,1027 0.907,1028 4.511,1029 0.829,1030 5.293,1031 2.136,1032 3.97,1033 4.533,1034 2.337,1035 6.033,1036 3.92,1037 5.682,1038 0.168,1039 6.808,1040 2.049,1041 3.434,1042 4.086,1043 1.668,1044 6.823,1045 3.376,1046 6.95,1047 -0.329,1048 8.426,1049 0.235,1050 5.485,1051 6.598,1052 3.41,1053 9.905,1054 5.379,1055 8.25,1056 -0.435,1057 10.106,1058 -0.772,1059 5.771,1060 6.894,1061 3.401,1062 11.563,1063 5.62,1064 9.579,1065 -0.844,1066 11.828,1067 -1.009,1068 7.28,1069 8.9,1070 4.732,1071 14.154,1072 7.101,1073 10.927,1074 -1,1075 13.581,1076 -2.168,1077 7.967,1078 9.567,1079 5.04,1080 16.183,1081 7.722,1082 12.291,1083 -1.173,1084 15.355,1085 -2.347,1086 9.238,1087 11.32,1088 6.14,1089 18.598,1090 8.968,1091 3.017,1092 -1.352,1093 17.148,1094 -2.795,1095 10.129,1096 12.204,1097 6.621,1098 20.788,1099 9.787,1100 2.491,1101 10.05,1102 18.953,1103 -3.338,1104 11.294,1105 13.806,1106 7.586,1107 23.137,1108 10.921,1109 2.343,1110 6.99,1111 20.77,1112 3.755,1113 12.288,1114 14.828,1115 8.169,1116 25.395,1117 11.845,1118 1.822,1119 6.423,1120 22.597,1121 3.444,1122 13.409,1123 16.332,1124 9.052,1125 27.718,1126 12.927,1127 1.488,1128 4.938,1129 24.43,1130 3.031,1131 14.455,1132 17.448,1133 9.698,1134 30.005,1135 13.907,1136 1.212,1137 3.213,1138 26.27,1139 2.393,1140 15.56,1141 18.887,1142 10.53,1143 32.318,1144 14.968,1145 1,1146 2.653,1147 28.114,1148 2.078,1149 16.632,1150 20.067,1151 11.215,1152 34.617,1153 15.979,1154 2966,1155 5103,1156 13.118,1157 24.409,1158 29.083,1159 30.525,1160 30.137,1161 28.655,1162 28.737,1163 38.259,1164 6.514,1165 77.375,1166 27.946,1167 5.1,1168 5.788,1169 6.273,1170 4.971,1171 5.017,1172 6.755,1173 3.785,1174 16.7,1175 4.876,1176 8.891,1177 1.454,1178 1.526,1179 1.507,1180 1.433,1181 1.437,1182 1.913,1183 0.326,1184 3.869,1185 1.397,1186 3.983,1187 4.017,1188 3.945,1189 3.904,1190 7.427,1191 3.902,1192 3.863,1193 3.894,1194 3.791,1195 3.81,1196 4.784,1197 3.802,1198 3.559,1199 3.59,1200 3.754,1201 3.377,1202 4.712,1203 3.389,1204 3.191,1205 3.262,1206 3.24,1207 3.044,1208 4.652,1209 3.024,1210 3.11,1211 3.186,1212 2.932,1213 2.972,1214 3.971,1215 2.95,1216 2.854,1217 2.925,1218 2.814,1219 2.735,1220 3.844,1221 2.715,1222 2.821,1223 2.883,1224 2.687,1225 2.709,1226 3.674,1227 2.695,1228 2.553,1229 2.634,1230 2.631,1231 2.336,1232 3.591,1233 2.318,1234 0.213,1235 0.189,1236 0.324,1237 0.199,1238 0.151,1239 4.258,1240 0.188,1241 3.788,1242 0.106,1243 6.471,1244 0.503,1245 3.971,1246 0.144,1247 3.017,1248 3.755,1249 2.116,1250 10.05,1251 2.876,1252 1.948,1253 1.918,1254 2.066,1255 2.05,1256 1.201,1257 2.056,1258 1.877,1259 1.849,1260 2.008,1261 1.955,1262 1.101,1263 1.975,1264 1.471,1265 1.435,1266 1.632,1267 1.686,1268 0.795,1269 1.68,1270 1.197,1271 1.126,1272 1.512,1273 1.405,1274 0.627,1275 1.451,1276 1.126,1277 1.059,1278 1.395,1279 1.321,1280 0.572,1281 1.361,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.834,1289 0.777,1290 1.096,1291 1.003,1292 0.184,1293 1.039,1294 0.555,1295 0.459,1296 0.929,1297 0.807,1298 0.014,1299 0.853,1300 3.714,1302 4.977,1304 6.444,1306 7.999,1308 9.596,1310 2.009,1311 5.711,1315 0.524,1321 1.718,1326 22.778,1327 51.525,1328 100.815,1329 129.486,1330 154.015,1331 162.77,1332 162.77,1333 29.971,1334 5.974,1335 20.31,1336 20.31,1337 12,1338 11.815,1339 3.807,1340 3,1341 33.324,1342 49,1343 51,1344 0.322,1345 148.093,1346 255.36,1347 353.106,1348 2301,1349 2.9,1350 13.665,1351 0.719,1352 0.611,1353 14.165,1354 11.6,1355 9.203,1356 0.46,1357 0.335,1358 6.177,1359 8.729,1360 5.899,1361 4.946,1362 9.556,1363 6.709,1364 7.821,1365 0.301,1366 0.181,1367 8.025,1368 4.705,1369 6.288,1370 0.196,1371 0.098,1372 6.61,1373 3.141,1374 4.87,1375 0.125,1376 0.054,1377 5.021,1378 2.102,1379 3.888,1380 0.083,1381 0.03,1382 4.033,1383 1.419,1384 0.483,1385 60.22,1386 0.276,1387 18.786,1388 0.95,1389 92,1390 257.584,1391 108.578,1392 282.297,1393 369.05,1394 264,1395 104,1396 237.589,1397 117.938,1398 251.275,1399 361.19,1400 234,1401 5.536}
{0 CHEMBL1400298,1 1.526,2 7.947,3 4.229,4 17.884,5 76.678,6 8.31,7 0.81,8 3.526,9 3.626,10 3.191,11 3.15,12 4.788,13 3.142,14 3.933,15 4.058,16 3.496,17 3.482,18 5.155,19 3.459,20 4.165,21 4.349,22 3.54,23 3.522,24 5.381,25 3.487,26 4.075,27 4.279,28 3.347,29 3.324,30 5.298,31 3.289,32 3.908,33 4.117,34 3.187,35 3.157,36 5.115,37 3.136,38 3.776,39 3.955,40 3.12,41 3.108,42 5.052,43 3.083,44 3.756,45 3.931,46 3.048,47 3.145,48 4.953,49 3.093,50 3.752,51 3.957,52 2.761,53 3.078,54 4.818,55 2.958,56 0.054,57 0.428,58 4.693,59 2.426,60 8.136,61 2.792,62 0.051,63 0.651,64 7.386,65 3.713,66 8.502,67 4.464,68 0.172,69 0.81,70 11.811,71 4.778,72 24.077,73 5.993,74 0.183,75 0.75,76 11.385,77 4.042,78 25.609,79 4.98,80 0.149,81 0.632,82 9.919,83 3.314,84 21.583,85 3.929,86 0.168,87 0.526,88 8.273,89 3.084,90 23.523,91 3.58,92 0.104,93 0.507,94 7.822,95 3.254,96 17.242,97 3.832,98 0.097,99 0.488,100 8.347,101 3.621,102 16.721,103 4.554,104 2,105 28,106 0.284,107 0.505,108 0.677,109 0.842,110 0.901,111 0.913,112 3.011,113 0.84,114 -4.16,115 -4.1,116 -3.88,120 50,143 9,144 2,145 2,146 1,148 1,167 1,174 10,176 1,177 4,182 1,185 10,188 1,189 7,192 1,194 2,197 7,201 8,204 1,206 2,209 3,214 6,219 2,222 2,227 4,230 1,232 2,235 4,240 3,245 1,247 7,252 1,257 1,260 7,271 4,274 437,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 10.994,281 7.831,282 8.03,283 13.362,284 10.382,285 10.382,286 10.382,287 10.382,288 10.382,289 7.205,290 4.869,291 3.82,292 10.671,293 3.38,294 2.192,295 1.268,296 0.384,297 0.067,299 3.696,306 1,307 1,308 329,309 2.121,313 142.501,317 74.757,320 1.019,321 14.264,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.5,333 151,334 4.572,335 3.216,336 6.67,337 4.105,338 3.122,339 4.509,341 10.718,342 3.07,343 3.948,344 2.626,345 5.615,346 3.469,347 2.521,348 3.519,350 7.255,351 2.39,352 3.731,353 2.454,354 5.332,355 3.28,356 2.311,357 3.227,359 6.898,360 2.232,361 3.242,362 1.89,363 4.657,364 2.758,365 1.776,366 2.571,368 4.783,369 1.742,370 3.01,371 1.558,372 3.805,373 2.494,374 1.514,375 2.202,377 3.246,378 1.482,379 2.896,380 1.451,381 3.626,382 2.406,383 1.414,384 2.084,386 3.028,387 1.401,388 2.563,389 1.117,390 3.552,391 2.017,392 1.038,393 1.51,395 2.539,396 1.015,397 2.5,398 1,399 3.247,400 1.958,401 1,402 1.5,404 2.136,405 0.955,406 2.188,407 0.682,408 3.094,409 1.595,410 0.612,411 0.935,413 1.391,414 0.6,415 1.383,416 0.27,417 2.692,418 0.966,419 0.028,420 0.036,422 0.066,423 0.026,424 0.999,425 -0.33,426 2.355,427 0.534,428 -0.444,429 -0.614,431 -1.071,432 -0.432,433 0.773,434 -0.661,435 2.081,436 0.274,437 -0.7,438 -1.027,440 -1.606,441 -0.681,442 0.547,443 -0.837,444 2,445 0.054,446 -0.925,447 -1.333,449 -2.202,450 -0.9,451 0.5,452 -1,453 1.555,454 -0.025,455 -1,456 -1.5,458 -2.347,459 -0.972,460 0.154,461 -1.053,462 1.414,463 -0.269,464 -1.216,465 -1.635,467 -3.044,468 -1.144,469 9.033,470 0.475,471 0.329,472 0.017,473 30.75,474 1.618,475 19,476 1,477 11.75,478 0.618,479 9.297,480 0.489,481 18.567,482 0.619,483 18.919,484 0.996,485 6.197,486 0.326,487 3.147,488 0.166,489 0.037,491 0.277,496 0.806,497 0.935,498 0.701,499 0.839,500 0.932,501 0.779,502 0.684,503 1.163,504 0.827,505 1.085,506 0.67,507 0.999,508 0.894,509 1.108,510 0.885,511 1.003,512 0.867,513 0.955,514 1.232,515 1.216,516 1.066,517 1.032,518 1.087,519 1.013,520 1.566,521 1.02,522 1.065,523 0.853,524 1.364,525 0.854,526 1.478,527 0.883,528 1.044,529 0.849,530 1.491,531 0.874,532 1.332,533 0.911,534 1.113,535 0.977,536 1.338,537 1.009,538 1.009,539 0.924,540 1.281,541 1.18,542 1.14,543 1.266,544 2.5,546 2,547 0.938,548 0.818,549 0.465,550 0.265,551 0.097,552 0.073,553 0.023,554 3357,555 9322,556 2.145,557 36.7,559 9,561 1,562 1,567 1.603,568 2.073,569 2.991,570 -0.301,572 1,575 45.795,576 1.526,577 2.715,578 3.639,579 4.523,580 4.84,581 4.907,582 2.36,583 3.892,584 4.223,585 3.094,586 529.009,587 7.193,588 5193.17,590 1,592 1,593 147.207,594 1.105,595 4.207,596 0.119,598 0.071,599 0.033,600 0.037,601 0.024,602 0.015,603 0.006,604 0.006,605 0.005,606 0.317,607 0.83,608 1,609 0.447,610 81.948,611 0.009,612 0.076,613 0.024,614 0.061,615 -0.135,616 0.04,617 0.034,618 -0.156,619 -0.063,620 -0.182,621 -0.019,622 -0.15,623 0.108,624 -0.106,625 0.051,626 -0.07,627 0.089,628 -0.032,629 -0.049,630 -0.166,631 -0.075,632 -0.123,633 -0.003,634 -0.104,635 -0.265,636 0.047,637 -0.053,638 0.055,639 -0.151,640 0.051,641 -0.089,642 0.122,643 -0.074,644 0.085,645 -0.044,646 0.026,647 -0.228,648 0.042,649 -0.185,650 -0.016,651 -0.153,652 -0.076,653 -0.16,654 -0.043,655 -0.305,656 -0.162,657 -0.184,658 -0.24,659 1.557,660 3.912,661 0.842,662 11.895,663 1.006,664 1.112,665 2.929,666 8.58,667 0.717,668 3.091,669 3.367,670 3.638,671 3.871,672 4.094,673 4.025,674 4.078,675 4.127,676 4.174,677 4.025,678 4.816,679 0.696,680 249.29,681 3.091,682 4.595,683 5.434,684 6.29,685 7.146,686 8.01,687 8.873,688 9.741,689 10.609,690 11.48,691 10,701 1,704 2,708 2,709 10,710 1,714 3,716 17,734 1,738 30,739 18,740 2,741 21,743 32,744 15,745 15,746 4,747 6,752 3,753 4,768 15,772 1,781 2,786 1,789 11,790 4,791 1,792 4,797 3,802 1,803 0.667,804 1,816 1,823 3,827 1,855 2,862 19,868 1,886 3.3,888 1,893 9.167,894 5.383,895 4.25,896 1.689,898 3.968,899 1.604,900 0.985,901 3.011,902 10.534,903 3.45,904 4.078,905 4.73,906 5.35,907 5.95,908 6.179,909 6.601,910 7.01,911 7.424,912 7.554,913 1,914 28,915 6.948,917 2.917,918 7.781,919 13.084,921 10.438,924 2.281,925 43.333,926 0.001,929 117.711,930 104.564,931 50.112,933 42.683,936 104.564,937 160.394,938 50.112,941 85.286,942 71.24,943 16.95,944 35.654,945 105.94,947 117.711,948 154.676,949 42.683,952 117.711,953 42.683,956 9.047,957 95.517,958 50.112,960 117.711,961 92.795,962 104.564,965 117.711,966 10.231,967 94.334,969 92.795,970 117.711,971 92.795,972 104.564,973 0.568,974 0.335,975 0.184,976 0.101,977 14,978 5,979 0.063,980 2,981 1,982 1.125,983 3.229,984 138.498,985 0.125,986 16,987 80.711,993 11.515,994 4.967,995 2.347,996 1.873,997 92.795,998 18.248,999 4.061,1003 1.081,1005 42.683,1006 315.07,1007 30.5,1016 8.158,1020 30.167,1021 33.365,1022 0.311,1023 0.553,1024 0.742,1025 0.922,1026 0.986,1027 1,1028 4.627,1029 1,1030 5.38,1031 2.539,1032 4.043,1033 4.762,1035 6.151,1036 3.99,1037 5.836,1038 0.612,1039 6.907,1040 2.136,1041 3.434,1042 4.407,1044 7.002,1045 3.334,1046 7.129,1047 0.028,1048 8.543,1049 1.391,1050 5.58,1051 7.03,1053 10.124,1054 5.477,1055 8.467,1056 -0.444,1057 10.248,1058 0.066,1059 5.861,1060 7.591,1062 11.884,1063 5.719,1064 9.839,1065 -0.7,1066 11.999,1067 -1.071,1068 7.421,1069 9.599,1071 14.51,1072 7.278,1073 11.239,1074 -0.925,1075 13.783,1076 -1.606,1077 8.141,1078 10.629,1080 16.631,1081 7.97,1082 12.661,1083 -1,1084 15.591,1085 -2.202,1086 9.447,1087 12.356,1089 19.095,1090 9.271,1091 3.122,1092 -1.216,1093 17.416,1094 -2.347,1095 10.383,1096 13.628,1098 21.363,1099 10.189,1100 2.521,1101 10.718,1102 19.255,1103 -3.044,1104 11.581,1105 15.227,1107 23.771,1108 11.378,1109 2.311,1110 7.255,1111 21.104,1112 4.509,1113 12.622,1114 16.62,1116 26.099,1117 12.405,1118 1.776,1119 6.898,1120 22.962,1121 3.519,1122 13.777,1123 18.163,1125 28.485,1126 13.549,1127 1.514,1128 4.783,1129 24.827,1130 3.227,1131 14.867,1132 19.615,1134 30.838,1135 14.626,1136 1.414,1137 3.246,1138 26.698,1139 2.571,1140 16.007,1141 21.134,1143 33.216,1144 15.754,1145 1.038,1146 3.028,1147 28.573,1148 2.202,1149 17.121,1150 22.614,1152 35.58,1153 16.854,1154 3231,1155 5491,1156 14.504,1157 21.517,1158 31.156,1159 30.948,1160 31.245,1161 30.682,1162 30.67,1163 44.186,1165 84.117,1166 29.825,1167 5.169,1168 5.216,1169 6.472,1170 5.145,1171 5.122,1172 7.509,1174 17.86,1175 5.07,1176 5.002,1177 1.484,1178 1.474,1179 1.488,1180 1.461,1181 1.46,1182 2.104,1184 4.006,1185 1.42,1186 4.087,1187 4.108,1188 4.05,1189 4.038,1190 6.47,1191 4.038,1192 3.849,1193 3.895,1194 3.793,1195 3.73,1196 5.067,1197 3.739,1198 3.492,1199 3.527,1200 3.416,1201 3.387,1202 4.835,1203 3.387,1204 3.181,1205 3.25,1206 3.116,1207 3.014,1208 4.572,1209 3.026,1210 2.933,1211 2.987,1212 2.835,1213 2.781,1214 4.172,1215 2.786,1216 2.775,1217 2.857,1218 2.639,1219 2.589,1220 3.83,1221 2.593,1222 2.741,1223 2.777,1224 2.622,1225 2.559,1226 3.732,1227 2.569,1228 2.558,1229 2.638,1230 2.41,1231 2.372,1232 3.483,1233 2.372,1234 0.218,1235 0.153,1236 0.318,1237 0.195,1238 0.149,1239 4.572,1240 0.215,1241 3.216,1243 6.67,1244 0.51,1245 4.105,1246 0.146,1247 3.122,1248 4.509,1250 10.718,1251 3.07,1252 2.064,1253 2.047,1254 2.137,1255 2.129,1256 1.274,1257 2.131,1258 1.809,1259 1.768,1260 1.927,1261 1.951,1262 0.92,1263 1.946,1264 1.473,1265 1.441,1266 1.629,1267 1.614,1268 0.665,1269 1.617,1270 1.119,1271 1.068,1272 1.275,1273 1.334,1274 0.334,1275 1.312,1276 0.906,1277 0.849,1278 1.141,1279 1.105,1280 0.182,1281 1.112,1282 0.74,1283 0.667,1284 0.984,1285 0.995,1286 0.018,1287 1.011,1288 0.692,1289 0.646,1290 0.923,1291 0.946,1293 0.936,1294 0.541,1295 0.469,1296 0.836,1297 0.78,1299 0.809,1300 3.761,1302 5.043,1304 6.547,1306 8.151,1308 9.807,1314 9.912,1326 20.886,1327 45.795,1328 81.458,1329 109.168,1330 135.697,1331 145.207,1332 147.207,1333 22.585,1334 6.567,1335 57.84,1336 57.84,1337 18,1338 12.023,1339 4.248,1340 3.392,1341 27.776,1342 53,1343 54,1344 0.253,1345 130.508,1346 216.31,1347 310.199,1348 5711,1350 13.079,1351 0.688,1352 0.53,1353 13.079,1354 10.062,1355 9.343,1356 0.445,1357 0.28,1358 5.82,1359 9.076,1360 5.708,1361 4.761,1362 9.343,1363 5.879,1364 8.008,1365 0.286,1366 0.144,1367 8.008,1368 4.042,1369 6.875,1370 0.186,1371 0.075,1372 6.875,1373 2.781,1374 5.674,1375 0.121,1376 0.04,1377 5.674,1378 1.863,1379 4.695,1380 0.08,1381 0.021,1382 4.695,1383 1.244,1384 0.387,1385 58,1386 0.263,1387 18.934,1388 0.72,1389 98,1390 289.085,1391 105.321,1392 288.653,1393 400.23,1394 270,1395 114,1396 302.957,1397 121.822,1398 308.462,1399 445.36,1400 291,1401 4.944}
{0 CHEMBL1400375,1 1.627,2 9.429,3 -0.331,4 0.11,5 79.595,6 7.562,7 0.261,8 3.752,9 3.866,10 3.33,11 3.24,12 4.848,13 3.242,14 4.322,15 4.499,16 3.65,17 3.619,18 5.385,19 3.605,20 4.562,21 4.772,22 3.721,23 3.762,24 5.661,25 3.71,26 4.562,27 4.788,28 3.581,29 3.672,30 5.703,31 3.585,32 4.507,33 4.772,34 3.363,35 3.446,36 5.698,37 3.353,38 4.214,39 4.472,40 3.101,41 3.242,42 5.211,43 3.153,44 4.006,45 4.206,46 3.121,47 3.24,48 5.039,49 3.164,50 4.083,51 4.288,52 3.15,53 3.242,54 5.175,55 3.175,56 0.055,57 0.569,58 7.605,59 3.319,60 7.26,61 4.334,62 0.281,63 0.902,64 15.772,65 5.162,66 21.882,67 7.028,68 0.465,69 1.059,70 21.376,71 7.031,72 37.748,73 9.741,74 0.372,75 0.994,76 21.806,77 7.499,78 53.68,79 10.635,80 0.589,81 0.866,82 22.672,83 6.263,84 90.95,85 9.304,86 0.444,87 0.678,88 16.565,89 4.477,90 44.721,91 6.659,92 0.218,93 0.603,94 11.885,95 4.316,96 24.318,97 5.918,98 0.235,99 0.614,100 13.222,101 4.669,102 33.753,103 6.22,104 5,105 31,106 0.295,107 0.621,108 0.76,109 0.836,110 0.836,111 0.836,112 3.103,113 0.919,114 -1.21,115 -1.3,116 -1.37,120 39.5,126 6,136 1,139 1,143 1,144 2,146 2,158 2,174 2,177 5,182 1,185 2,188 1,189 5,192 2,194 1,197 2,200 1,201 1,204 1,206 1,213 2,214 2,217 1,219 1,226 1,227 1,230 1,239 1,240 1,251 1,252 2,263 1,264 1,274 567,275 14.397,276 14.397,277 14.397,278 14.397,279 14.397,280 13.317,281 15.688,282 8.713,283 14.747,284 11.356,285 11.356,286 11.356,287 11.356,288 11.356,289 9.561,290 20.557,291 4.135,292 11.837,293 3.621,294 1.816,295 1.053,296 0.632,297 0.632,298 0.632,299 3.787,306 1,307 1,308 429,309 2.449,313 172.696,317 89.964,320 1.361,321 27.629,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.5,333 198,334 4.545,335 3.718,336 6.759,337 4.203,338 3.19,339 4.151,340 0.86,341 10.98,342 3.227,343 3.8,344 3.356,345 5.854,346 3.466,347 2.531,348 3.158,349 0.8,350 7.841,351 2.451,352 3.554,353 2.889,354 5.343,355 3.4,356 2.413,357 2.806,358 0.4,359 6.963,360 2.299,361 3.513,362 2.427,363 5.273,364 3.128,365 2.115,366 2.518,368 6.301,369 2.125,370 2.947,371 2.2,372 3.929,373 2.512,374 1.59,375 2.102,377 3.389,378 1.466,379 2.584,380 2.076,381 3.691,382 2.368,383 1.452,384 1.58,386 3.134,387 1.319,388 2.53,389 1.35,390 3.651,391 2.057,392 1.122,393 1.5,395 2.621,396 1.041,397 2.342,398 1.262,399 3.48,400 1.985,401 1,402 1.215,404 2.368,405 0.976,406 2.04,407 1.256,408 3.247,409 1.952,410 1,411 1,413 2.136,414 0.946,415 2,416 1.237,417 3.121,418 1.553,419 0.51,420 0.723,422 1.225,423 0.523,424 1.115,425 0.34,426 2.658,427 0.859,428 -0.105,429 -0.123,431 -0.25,432 -0.1,433 0.926,434 0.08,435 2.422,436 0.474,437 -0.506,438 -0.595,440 -1.27,441 -0.491,442 0.609,443 -0.36,444 2,445 0.324,446 -0.7,447 -0.851,449 -1.572,450 -0.7,451 0.549,452 -0.384,453 1.746,454 0.087,455 -0.888,456 -1,458 -2.127,459 -0.846,460 0.143,461 -0.735,462 1.617,463 0.007,464 -1,465 -1.227,467 -2.289,468 -0.86,469 9.7,470 0.462,471 0.418,472 0.02,473 24.75,474 1.179,475 10.5,476 0.5,477 14.25,478 0.679,479 15.364,480 0.732,481 23.3,482 0.613,483 17.504,484 0.834,485 5.155,486 0.245,487 5.099,488 0.243,489 0.069,491 0.299,496 0.729,497 1.497,498 0.744,499 1.215,500 0.518,501 1.013,502 1.15,503 1.078,504 0.981,505 0.916,506 0.648,507 0.891,508 0.948,509 0.879,510 0.967,511 0.917,512 0.793,513 0.934,514 0.776,515 1.207,516 0.925,517 1.217,518 1.038,519 1.133,520 0.995,521 0.878,522 0.924,523 0.842,524 1.082,525 0.867,526 1.103,527 0.745,528 1.047,529 0.71,530 1.135,531 0.834,532 0.848,533 1.084,534 1.03,535 1.135,536 0.966,537 1.128,538 1.073,539 1.007,540 1.049,541 1.154,542 1.361,543 1.113,544 3,545 0.033,546 2.222,547 1.5,548 1.129,549 0.444,550 0.222,551 0.2,552 0.185,553 0.08,554 4627,555 13065,556 2.102,557 44.7,559 14,561 2,562 1,567 1.628,568 2,569 3.202,570 -0.244,572 1,575 61.821,576 1.627,577 3.432,578 4.195,579 4.616,580 4.616,581 4.616,582 2.661,583 4.107,584 4.365,585 3.338,586 700.914,587 7.459,588 7518.9,593 199.421,594 1.268,595 4.338,596 0.13,597 0.004,598 0.072,599 0.047,600 0.043,601 0.022,602 0.014,603 0.012,604 0.011,605 0.006,606 0.36,607 0.5,608 1,609 0.532,610 95.458,611 -0.049,612 -0.262,613 0.056,614 -0.11,615 -0.006,616 -0.022,617 -0.216,618 0.055,619 -0.07,620 0.072,621 -0.033,622 0.049,623 -0.025,624 0.157,625 -0.019,626 0.062,627 0.035,628 0.032,629 0.083,630 -0.267,631 0.033,632 -0.214,633 0.064,634 -0.126,635 0.072,636 -0.005,637 0.123,638 0.07,639 0.131,640 0.098,641 -0.073,642 0.195,643 -0.022,644 0.195,645 -0.132,646 0.113,647 -0.019,648 -0.067,649 -0.111,650 -0.109,651 -0.1,652 -0.129,653 -0.084,654 -0.042,655 -0.092,656 -0.145,657 -0.166,658 -0.125,659 1.834,660 5.288,661 0.762,662 16,663 1.012,664 1.132,665 -0.022,667 0.65,668 3.178,669 3.466,670 3.738,671 3.97,672 4.174,673 4.094,674 4.127,675 4.159,676 4.234,677 4.159,678 5.568,679 0.629,680 287.35,681 3.178,682 4.691,683 5.533,684 6.395,685 7.255,686 8.124,687 8.992,688 9.866,689 10.738,690 11.616,691 7.9,693 1,694 1,701 1,709 3,710 1,714 2,716 6,721 2,738 38,739 9,741 23,743 40,744 15,745 5,748 4,752 3,753 4,768 9,769 6,772 3,778 2,780 1,782 3,786 1,789 17,790 6,791 1,792 6,797 3,803 0.667,804 3,816 1,823 3,827 1,845 2,849 1,851 1,854 1,855 2,862 21,869 6,871 1,872 1,875 1,886 7.9,889 2,890 1,893 10.5,894 6.733,895 4.694,896 2.315,898 1.729,899 1.257,900 0.971,901 4.204,902 8.46,903 3.401,904 3.882,905 4.428,906 4.904,907 5.384,908 5.49,909 5.745,910 5.906,911 6.17,912 6.061,913 1,914 32,915 7.815,917 3.359,918 7.897,919 14.808,921 12.104,924 2.397,925 50.333,929 188.338,930 74.05,931 37.921,933 61.29,936 74.05,937 249.627,938 37.921,940 17.608,941 36.963,942 114.641,943 27.59,945 164.795,947 188.338,948 111.97,949 61.29,952 188.338,953 50.29,954 11,956 56.837,957 26.114,958 29.019,960 188.338,961 99.21,962 74.05,965 188.338,966 37.002,967 40.172,968 18.011,969 78.075,970 188.338,971 99.21,972 74.05,973 0.571,974 0.34,975 0.187,976 0.1,977 15,978 6,979 0.1,980 4,981 1,982 1.125,983 3.42,984 157.013,985 0.125,986 16,987 88.239,993 14.083,994 6.269,995 3.081,997 99.21,998 4.553,999 3.921,1003 0.799,1005 18.011,1006 361.598,1007 29,1013 24.271,1015 1.379,1017 0.036,1020 38.473,1021 43.03,1022 0.31,1023 0.654,1024 0.799,1025 0.88,1026 0.88,1027 0.88,1028 4.63,1029 1,1030 5.493,1031 2.621,1032 4.143,1033 4.564,1034 1.324,1035 6.282,1036 4.087,1037 5.788,1038 1,1039 7.036,1040 2.368,1041 3.611,1042 4.248,1043 0.325,1044 7.163,1045 3.616,1046 7.071,1047 0.51,1048 8.689,1049 2.136,1050 5.7,1051 6.623,1052 0.958,1053 10.299,1054 5.63,1055 8.393,1056 -0.105,1057 10.409,1058 1.225,1059 6.043,1060 7.202,1061 0.268,1062 12.057,1063 6.057,1064 9.755,1065 -0.506,1066 12.173,1067 -0.25,1068 7.568,1069 9.033,1070 0.736,1071 14.712,1072 7.522,1073 11.146,1074 -0.7,1075 13.968,1076 -1.27,1077 8.333,1078 10.039,1079 0.188,1080 16.828,1081 8.363,1082 12.56,1083 -0.888,1084 15.785,1085 -1.572,1086 9.625,1087 11.646,1088 0.57,1089 19.324,1090 9.624,1091 3.19,1092 -1,1093 17.618,1094 -2.127,1095 10.597,1096 12.861,1097 0.125,1098 21.596,1099 10.653,1100 2.531,1101 10.98,1102 19.465,1103 -2.289,1104 11.796,1105 14.37,1106 0.439,1107 24.033,1108 11.844,1109 2.413,1110 7.841,1111 21.322,1112 4.151,1113 12.867,1114 15.689,1115 0.082,1116 26.373,1117 12.954,1118 2.115,1119 6.963,1120 23.187,1121 3.158,1122 14.033,1123 17.153,1124 0.334,1125 28.787,1126 14.125,1127 1.59,1128 6.301,1129 25.059,1130 2.806,1131 15.15,1132 18.524,1133 0.054,1134 31.157,1135 15.269,1136 1.452,1137 3.389,1138 26.937,1139 2.518,1140 16.306,1141 19.966,1142 0.252,1143 33.561,1144 16.437,1145 1.122,1146 3.134,1147 28.82,1148 2.102,1149 17.444,1150 21.363,1151 0.035,1152 35.945,1153 17.596,1154 4449,1155 7582,1156 15.603,1157 24.71,1158 34.494,1159 36.133,1160 34.783,1161 33.856,1162 33.844,1163 41.508,1164 4.12,1165 93.916,1166 32.746,1167 5.545,1168 5.718,1169 6.561,1170 5.306,1171 5.19,1172 7.151,1173 1.72,1174 18.484,1175 5.227,1176 7.605,1177 1.5,1178 1.571,1179 1.512,1180 1.472,1181 1.471,1182 1.805,1183 0.179,1184 4.083,1185 1.424,1186 4.008,1187 4.029,1188 3.977,1189 3.91,1190 7.437,1191 3.924,1192 3.81,1193 3.872,1194 3.69,1195 3.594,1196 7.419,1197 3.608,1198 3.559,1199 3.619,1200 3.474,1201 3.383,1202 4.853,1203 3.398,1204 3.329,1205 3.384,1206 3.194,1207 3.134,1208 4.629,1209 3.134,1210 3.12,1211 3.206,1212 3.087,1213 2.941,1214 4.359,1215 2.95,1216 3.111,1217 3.112,1218 2.866,1219 2.916,1220 3.962,1221 2.91,1222 2.854,1223 2.934,1224 2.723,1225 2.584,1226 3.714,1227 2.605,1228 2.647,1229 2.706,1230 2.5,1231 2.374,1232 3.598,1233 2.4,1234 0.198,1235 0.162,1236 0.294,1237 0.183,1238 0.139,1239 4.545,1240 0.18,1241 3.718,1242 0.037,1243 6.759,1244 0.477,1245 4.203,1246 0.14,1247 3.19,1248 4.151,1249 0.86,1250 10.98,1251 3.227,1252 1.943,1253 1.928,1254 2.011,1255 2.063,1256 1.264,1257 2.047,1258 1.742,1259 1.678,1260 1.954,1261 1.982,1262 1.099,1263 1.977,1264 1.508,1265 1.453,1266 1.722,1267 1.729,1268 0.958,1269 1.729,1270 1.296,1271 1.237,1272 1.513,1273 1.51,1274 0.825,1275 1.51,1276 1.153,1277 1.064,1278 1.507,1279 1.376,1280 0.571,1281 1.429,1282 1.002,1283 0.994,1284 1.164,1285 1.234,1286 0.258,1287 1.191,1288 0.762,1289 0.688,1290 1.099,1291 1.11,1292 0.201,1293 1.106,1294 0.59,1295 0.524,1296 0.922,1297 0.881,1298 0.063,1299 0.896,1300 3.85,1302 5.142,1304 6.65,1306 8.262,1308 9.93,1315 4.752,1317 3.07,1318 5.287,1321 2.266,1326 23.896,1327 61.821,1328 130.402,1329 159.421,1330 175.421,1331 175.421,1332 175.421,1333 38.893,1334 6.731,1335 71.53,1336 71.53,1337 18,1338 12.155,1339 3.322,1340 2.807,1341 32.341,1342 69,1343 69,1344 0.227,1345 147.283,1346 263.61,1347 351.13,1348 7154,1350 14.656,1351 0.698,1352 0.556,1353 14.656,1354 11.671,1355 10.254,1356 0.446,1357 0.306,1358 6.906,1359 9.728,1360 6.809,1361 5.558,1362 10.254,1363 7.042,1364 8.879,1365 0.286,1366 0.163,1367 8.879,1368 5.053,1369 7.611,1370 0.186,1371 0.09,1372 7.611,1373 3.698,1374 6.289,1375 0.121,1376 0.048,1377 6.289,1378 2.515,1379 5.097,1380 0.08,1381 0.026,1382 5.097,1383 1.646,1384 0.356,1385 65.245,1386 0.253,1387 21,1388 0.62,1389 108,1390 358.83,1391 120.276,1392 334.981,1393 444.13,1394 314,1395 126,1396 305.825,1397 138.999,1398 307.132,1399 450.82,1400 289,1401 4.984}
{0 CHEMBL1400481,1 2.107,2 6.353,3 1.371,4 1.88,5 57.131,6 12.011,7 0.611,8 3.26,9 3.32,10 3.254,11 2.816,12 4.787,13 2.842,14 3.654,15 3.707,16 3.651,17 3.156,18 5.485,19 3.185,20 3.728,21 3.815,22 3.716,23 3.102,24 5.264,25 3.153,26 3.713,27 3.81,28 3.53,29 2.916,30 5.369,31 3.053,32 3.59,33 3.664,34 3.444,35 2.805,36 5.45,37 2.892,38 3.577,39 3.638,40 3.328,41 2.582,42 5.926,43 2.709,44 3.056,45 3.171,46 2.418,47 1.933,48 4.848,49 2.085,50 2.505,51 2.62,52 1.489,53 1.158,54 4.29,55 1.324,56 0.205,57 0.374,58 0.222,59 1.57,60 29.061,61 1.001,62 0.4,63 0.549,64 1.11,65 2.523,66 78.318,67 1.415,68 0.339,69 0.558,70 5.885,71 3.429,72 63.398,73 1.916,74 0.461,75 0.504,76 2.849,77 2.23,78 78.111,79 1.094,80 0.396,81 0.42,82 1.107,83 2.099,84 59.27,85 1.316,86 0.543,87 0.342,88 5.706,89 2.594,90 112.764,91 1.749,92 0.336,93 0.175,94 4.043,95 1.546,96 61.684,97 0.783,98 0.26,99 0.069,100 1.978,101 0.795,102 53.179,103 0.192,104 21,105 25,106 0.423,107 0.634,108 0.71,109 0.749,110 0.787,111 0.787,112 2.909,113 0.852,114 -2.81,115 -2.82,116 -2.73,120 38.1,143 2,144 1,146 2,150 1,154 2,167 4,174 1,176 3,177 8,185 2,189 12,200 3,201 6,209 1,213 10,222 1,226 8,227 1,235 1,240 3,252 2,274 318,275 11.121,276 11.121,277 11.121,278 11.121,279 11.121,280 9.23,281 9.907,282 6.592,283 11.517,284 8.873,285 8.873,286 8.873,287 8.873,288 8.873,289 6.095,290 12.787,291 3.11,292 9.544,293 2.286,294 1.238,295 0.857,296 0.667,297 0.476,298 0.476,299 3.554,306 1,307 1,308 219,309 2.828,312 46.553,313 52.506,320 0.962,321 32.7,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 40,333 108,334 4.577,335 3.845,336 6.697,337 4.098,338 3.169,339 4.353,340 2.612,341 10.843,342 2.947,343 4.059,344 3.742,345 5.841,346 3.485,347 2.563,348 3.655,349 2.612,350 7.902,351 2.355,352 3.883,353 2.875,354 5.569,355 3.292,356 2.361,357 3.442,359 6.999,360 2.191,361 3.331,362 2.185,363 4.408,364 2.684,365 1.707,366 2.692,368 4.103,369 1.665,370 2.898,371 1.614,372 3.767,373 2.25,374 1.304,375 2.039,377 2.975,378 1.221,379 2.5,380 1.335,381 3.505,382 1.917,383 1,384 1.5,386 2.156,387 0.916,388 2.482,389 1,390 3.442,391 1.785,392 0.84,393 1.357,395 2.136,396 0.782,397 2.268,398 1,399 3.247,400 1.61,401 0.732,402 1.125,404 1.948,405 0.626,406 1,407 1,408 2.386,409 0.306,410 -0.627,411 -0.844,413 -1.481,414 -0.58,415 1,416 0.827,417 2,419 -1,420 -1.488,422 -2,423 -0.946,424 0.78,425 -0.542,426 1.784,428 -1,429 -1.5,431 -2,432 -1,433 0.5,434 -0.707,435 1.555,436 -0.049,437 -1,438 -1.702,440 -2.347,441 -1,442 0.268,443 -1,444 1.368,445 -0.229,446 -1.126,447 -2,449 -3.368,450 -1.008,451 0.168,452 -1.028,453 1.227,454 -0.322,455 -1.241,456 -2,458 -3.907,459 -1.112,460 -0.5,461 -1.626,462 1.006,463 -0.908,464 -1.838,465 -2.276,466 -0.612,467 -4.789,468 -1.505,469 7.767,470 0.457,471 0.494,472 0.029,473 27.5,474 1.618,475 16,476 0.941,477 11.5,478 0.676,479 8.188,480 0.482,481 18.033,482 0.859,483 17.816,484 1.048,485 5.399,486 0.318,487 2.693,488 0.158,489 0.172,491 0.361,496 0.333,497 0.984,498 0.625,499 0.67,500 0.535,501 0.722,502 0.552,503 1.134,504 0.818,505 0.99,506 0.431,507 0.9,508 0.803,509 1.514,510 1.076,511 1.59,512 0.7,513 1.144,514 1.264,515 1.002,516 0.755,517 0.904,518 1.185,519 0.83,520 0.714,521 0.648,522 0.776,523 0.709,524 1.109,525 0.963,526 0.694,527 0.922,528 1.244,529 1.169,530 0.653,531 1.19,532 2.113,533 0.876,534 1.578,535 1.071,536 1.876,537 1.255,538 3.227,539 0.317,540 1.782,541 0.338,542 3.173,543 1.107,544 3.5,546 2,547 1.16,548 1.261,549 0.702,550 0.225,551 0.122,552 0.041,554 1985,555 10627,556 1.96,557 19,559 2,561 2,567 1.577,568 1.789,569 2.717,570 -0.461,574 1,575 44.239,576 2.107,577 3.154,578 3.535,579 3.726,580 3.916,581 3.916,582 2.162,583 3.499,584 4.057,585 2.802,586 381.082,587 6.9,588 3442.95,590 1,593 92.239,594 1.549,595 3.989,596 0.194,598 0.08,599 0.048,600 0.055,601 0.035,602 0.013,603 0.017,604 0.02,606 0.464,607 0.67,608 1,609 1.095,610 68.872,611 0.308,612 0.123,613 0.032,614 0.197,615 0.01,616 0.021,617 0.18,618 -0.076,619 0.047,620 0.011,621 0.255,622 -0.052,623 -0.07,624 -0.473,625 0.166,626 -0.426,627 -0.029,628 -0.086,629 -0.372,630 -0.04,631 0.01,632 -0.111,633 -0.305,634 0.043,635 0.271,636 0.337,637 -0.012,638 0.119,639 -0.131,640 -0.169,641 0.559,642 -0.069,643 -0.115,644 -0.137,645 0.692,646 -0.174,647 -0.831,648 -0.157,649 -0.436,650 -0.132,651 -0.505,652 -0.02,653 -1.53,654 0.195,655 -0.689,656 0.514,657 -1.257,658 0.203,659 2.677,660 3.769,661 0.647,662 10.63,663 1.085,664 1.131,665 1.577,666 2.487,667 0.738,668 2.944,669 3.258,670 3.497,671 3.738,672 3.932,673 3.951,674 3.761,675 3.611,676 3.434,677 3.045,678 4.099,679 0.768,680 252.23,681 2.944,682 4.466,683 5.303,684 6.18,685 7.052,686 7.937,687 8.82,688 9.708,689 10.594,690 11.484,691 19,701 2,702 2,709 4,710 2,713 1,714 4,716 11,731 2,738 21,739 15,741 18,743 22,744 8,745 8,752 2,753 2,768 8,772 4,775 2,778 4,786 1,789 4,790 6,792 9,793 1,797 4,803 1,804 4,817 1,822 1,823 1,855 2,857 1,862 17,880 1,886 19,892 4,893 9.5,894 3.967,895 3.778,896 1.064,898 2.389,899 1.403,900 0.935,901 3.065,902 8.321,903 3.35,904 3.984,905 4.507,906 5.086,907 5.587,908 5.952,909 6.086,910 6.292,911 6.512,912 6.503,913 1,914 24,915 6.22,917 2.725,918 8.706,919 10.746,921 8.315,924 3.206,925 54.5,929 47.084,930 75.698,931 44.911,933 101.494,935 31.278,936 44.42,937 148.578,938 44.911,939 11.34,941 18.952,942 57.113,943 25.467,945 54.82,946 101.494,947 47.084,948 89.331,949 101.494,950 31.278,952 49.412,954 101.494,956 19.954,957 22.138,958 44.911,959 31.278,960 47.084,961 146.405,962 75.698,965 47.084,966 38.65,967 48.387,969 135.065,970 47.084,971 146.405,972 75.698,973 0.582,974 0.333,975 0.177,976 0.108,977 12,978 6,979 0.136,980 3,982 1,983 2.829,984 116.48,986 11,987 61.487,989 1,993 11.547,994 4.513,995 2.265,997 135.065,998 5.485,999 7.666,1002 0.492,1003 -0.474,1006 269.187,1007 27.5,1010 -1.354,1013 42.684,1020 22.793,1021 23.751,1022 0.48,1023 0.718,1024 0.805,1025 0.848,1026 0.892,1027 0.892,1028 4.551,1029 0.732,1030 5.303,1031 2.136,1032 3.932,1033 4.668,1034 3.153,1035 6.125,1036 3.788,1037 5.793,1038 -0.627,1039 6.876,1040 1.948,1041 3.611,1042 4.635,1043 3.006,1044 7.091,1045 3.409,1046 7.122,1047 -1,1048 8.555,1049 -1.481,1050 5.525,1051 6.928,1052 4.84,1053 10.19,1054 5.232,1055 8.489,1056 -1,1057 10.295,1058 -2,1059 6.019,1060 7.704,1061 5.194,1062 11.992,1063 5.65,1064 9.887,1065 -1,1066 12.072,1067 -2,1068 7.446,1069 9.481,1070 6.64,1071 14.617,1072 7.004,1073 11.306,1074 -1.126,1075 13.876,1076 -2.347,1077 8.292,1078 10.608,1079 7.248,1080 16.753,1081 7.77,1082 12.742,1083 -1.241,1084 15.697,1085 -3.368,1086 9.536,1087 12.19,1088 8.487,1089 19.218,1090 8.946,1091 3.169,1092 -1.838,1093 17.532,1094 -3.907,1095 10.543,1096 13.482,1097 9.241,1098 21.497,1099 9.875,1100 2.563,1101 10.843,1102 19.378,1103 -4.789,1104 11.718,1105 14.987,1106 10.363,1107 23.906,1108 10.983,1109 2.361,1110 7.902,1111 21.231,1112 4.353,1113 12.8,1114 16.362,1115 11.202,1116 26.245,1117 11.989,1118 1.707,1119 6.999,1120 23.091,1121 3.655,1122 13.952,1123 17.836,1124 12.256,1125 28.636,1126 13.073,1127 1.304,1128 4.103,1129 24.957,1130 3.442,1131 15.069,1132 19.253,1133 13.145,1134 31.001,1135 14.116,1136 1,1137 2.975,1138 26.827,1139 2.692,1140 16.216,1141 20.717,1142 14.161,1143 33.386,1144 15.193,1145 0.84,1146 2.156,1147 28.701,1148 2.039,1149 17.35,1150 22.156,1151 15.079,1152 35.761,1153 16.254,1154 2099,1155 4986,1156 11.444,1157 15.489,1158 27.553,1159 29.067,1160 28.508,1161 27.31,1162 27.35,1163 40.326,1164 10.45,1165 78.124,1166 25.405,1167 5.229,1168 5.845,1169 6.499,1170 5.218,1171 5.169,1172 7.353,1173 4.612,1174 17.84,1175 4.817,1176 9.423,1177 1.531,1178 1.615,1179 1.584,1180 1.517,1181 1.519,1182 2.24,1183 0.581,1184 4.34,1185 1.411,1186 4.052,1187 4.065,1188 4.326,1189 3.976,1190 7.819,1191 3.937,1192 3.751,1193 3.797,1194 3.738,1195 3.581,1196 7.811,1197 3.587,1198 3.613,1199 3.63,1200 3.615,1201 3.05,1202 6.999,1203 3.193,1204 3.201,1205 3.211,1206 3.29,1207 2.784,1208 6.999,1209 2.881,1210 2.679,1211 2.776,1212 2.846,1213 2.464,1214 5.012,1215 2.472,1216 2.637,1217 2.682,1218 2.56,1219 2.423,1220 4.431,1221 2.442,1222 2.12,1223 2.139,1224 2.323,1225 2.111,1226 3.962,1227 1.989,1228 1.718,1229 1.784,1230 1.714,1231 1.548,1232 3.641,1233 1.571,1234 0.254,1235 0.214,1236 0.372,1237 0.228,1238 0.176,1239 4.577,1240 0.242,1241 3.845,1242 0.145,1243 6.697,1244 0.602,1245 4.098,1246 0.164,1247 3.169,1248 4.353,1249 2.612,1250 10.843,1251 2.947,1252 1.793,1253 1.753,1254 1.876,1255 1.991,1256 0.881,1257 1.948,1258 1.537,1259 1.537,1260 1.596,1261 1.914,1262 0.653,1263 1.801,1264 1.487,1265 1.461,1266 1.388,1267 1.833,1268 0.574,1269 1.734,1270 0.928,1271 0.908,1272 0.982,1273 1.283,1275 1.242,1276 0.618,1277 0.565,1278 0.921,1279 0.912,1281 0.918,1282 0.561,1283 0.524,1284 0.697,1285 0.813,1287 0.824,1288 0.329,1289 0.304,1290 0.322,1291 0.493,1293 0.54,1296 0.068,1297 0.016,1299 0.116,1300 3.611,1302 4.92,1303 2.398,1304 6.418,1305 4.727,1306 8.001,1307 6.862,1308 9.631,1326 16.132,1327 44.239,1328 66.239,1329 74.239,1330 78.239,1331 82.239,1332 82.239,1333 38.555,1334 5.932,1335 117.42,1336 145.66,1337 11,1338 12.014,1339 4,1340 3.392,1341 28.132,1342 40,1343 38,1344 0.358,1345 106.524,1346 179.63,1347 251.678,1348 2094,1350 12.414,1351 0.73,1352 0.527,1353 12.767,1354 8.956,1355 8.092,1356 0.45,1357 0.284,1358 4.245,1359 7.058,1360 4.148,1361 3.431,1362 8.5,1363 5.11,1364 7.445,1365 0.298,1366 0.156,1367 8.061,1368 3.899,1369 5.754,1370 0.18,1371 0.09,1372 6.748,1373 2.89,1374 4.56,1375 0.111,1376 0.048,1377 5.383,1378 1.977,1379 3.697,1380 0.074,1381 0.024,1382 4.41,1383 1.196,1384 0.525,1385 57.342,1386 0.296,1387 16.731,1388 1.098,1389 86,1390 424.383,1391 128.586,1392 418.573,1393 538.2,1394 380,1395 100,1396 374.402,1397 142.742,1398 379.247,1399 545.39,1400 352,1401 5.178}
{0 CHEMBL1400908,1 1.725,2 9.394,3 2.156,4 4.649,5 126.14,6 7.671,7 0.314,8 4.219,9 4.34,10 3.828,11 3.694,12 5.366,13 3.676,14 4.763,15 4.936,16 4.22,17 4.082,18 5.896,19 4.047,20 5.034,21 5.222,22 4.358,23 4.236,24 6.209,25 4.192,26 5.167,27 5.394,28 4.427,29 4.317,30 6.385,31 4.254,32 5.133,33 5.298,34 4.421,35 4.374,36 6.44,37 4.314,38 5.248,39 5.442,40 4.536,41 4.481,42 6.48,43 4.407,44 5.354,45 5.557,46 4.55,47 4.557,48 6.536,49 4.466,50 5.425,51 5.642,52 4.453,53 4.544,54 6.544,55 4.419,56 0.133,57 0.923,58 13.706,59 5.444,60 18.447,61 7.157,62 0.44,63 1.41,64 26.137,65 9.475,66 52.515,67 12.529,68 0.864,69 1.744,70 37.011,71 10.997,72 78.891,73 15.027,74 0.887,75 1.88,76 45.731,77 13.762,78 109.544,79 18.689,80 0.963,81 1.91,82 41.901,83 13.492,84 153.332,85 16.733,86 1.038,87 2.17,88 49.317,89 15.253,90 136.121,91 19.931,92 1.082,93 2.329,94 53.522,95 17.745,96 131.497,97 23.279,98 1.173,99 2.343,100 58.614,101 18.778,102 150.789,103 24.755,104 97,105 51,106 0.279,107 0.598,108 0.743,109 0.812,110 0.817,111 0.822,112 3.533,113 0.978,114 -1.7,115 -1.77,116 -1.79,120 35.5,121 4,122 2,126 2,128 1,131 1,143 3,145 4,147 1,153 1,159 3,164 2,165 2,166 2,174 3,176 1,177 5,179 1,180 2,182 3,185 5,188 3,189 6,191 2,192 3,194 1,197 1,200 3,201 9,203 3,204 3,205 1,206 1,208 2,209 2,212 1,213 2,214 8,217 1,219 3,222 6,226 3,227 6,229 2,230 2,232 4,235 6,237 3,239 3,240 7,242 1,243 3,244 1,245 2,246 1,247 10,249 2,251 2,252 6,254 1,255 2,257 4,260 3,262 4,263 2,264 9,266 2,267 3,268 1,269 5,270 1,273 5,274 2176,275 21.284,276 21.284,277 21.284,278 21.284,279 21.284,280 19.568,281 31.166,282 12.291,283 21.793,284 17.189,285 17.189,286 17.189,287 17.189,288 17.189,289 14.403,290 47.222,291 5.676,292 18.013,293 4.229,294 2.26,295 1.363,296 0.936,297 0.904,298 0.872,299 4.203,306 1,307 1,308 638,309 5.196,312 106.192,313 198.975,317 168.873,320 1.315,321 53.454,324 1,325 0.67,326 1,327 1,328 1,329 0.83,330 0.5,331 0.86,332 73.5,333 310,334 4.565,335 3.913,336 6.983,337 4.257,338 3.298,339 4.211,340 1.96,341 11.802,342 3.154,343 4.35,344 3.646,345 6.603,346 4.104,347 3.135,348 3.95,349 1.197,350 10.399,351 3.031,352 4.2,353 3.512,354 6.437,355 3.968,356 3.008,357 3.429,358 0.98,359 10.055,360 2.888,361 4.046,362 3.249,363 6.165,364 3.771,365 2.826,366 3.194,367 0.86,368 9.132,369 2.668,370 3.71,371 3.12,372 5.868,373 3.422,374 2.42,375 2.925,376 0.86,377 7.802,378 2.408,379 3.515,380 2.778,381 5.546,382 3.164,383 2.194,384 2.73,385 0.357,386 6.944,387 2.106,388 3.116,389 2.544,390 4.822,391 2.681,392 1.681,393 2.228,394 0.127,395 4.731,396 1.663,397 2.923,398 2.187,399 4.425,400 2.53,401 1.618,402 2.061,404 4.317,405 1.469,406 2.672,407 2.03,408 4.29,409 2.443,410 1.434,411 1.634,413 3.516,414 1.439,415 2.562,416 1.768,417 3.908,418 2.32,419 1.391,420 1.583,422 3.005,423 1.275,424 2.476,425 1.411,426 3.649,427 2.073,428 1.144,429 1.471,431 2.743,432 1.051,433 2.372,434 1.245,435 3.614,436 1.985,437 1.016,438 1.27,440 2.432,441 0.973,442 2.031,443 1.181,444 3.336,445 1.638,446 0.678,447 0.861,449 1.599,450 0.627,451 1.849,452 0.991,453 3.15,454 1.569,455 0.642,456 0.749,458 1.346,459 0.593,460 1.243,461 0.674,462 3.025,463 1.009,464 0.027,465 0.031,467 0.062,468 0.027,469 15.5,470 0.47,471 1.142,472 0.035,473 37.75,474 1.144,475 16.5,476 0.5,477 21.25,478 0.644,479 37.44,480 1.135,481 37.9,482 0.611,483 34.039,484 1.031,485 7.027,486 0.213,487 8.503,488 0.258,489 0.245,490 0.032,491 0.348,496 0.81,497 1.397,498 0.774,499 1.128,500 0.704,501 1.009,502 0.799,503 1.217,504 0.679,505 0.946,506 0.52,507 0.87,508 1.046,509 1.076,510 0.901,511 0.994,512 0.942,513 0.992,514 0.821,515 0.913,516 0.777,517 0.916,518 0.901,519 0.807,520 1.356,521 1.116,522 1.189,523 1.066,524 1.728,525 1.06,526 0.94,527 1.063,528 1.079,529 1.09,530 0.986,531 1.006,532 0.809,533 1.074,534 1.019,535 1.142,536 0.844,537 1.093,538 1.001,539 1.13,540 1.104,541 1.172,542 1.104,543 1.192,544 8,545 0.268,546 4.444,547 3.285,548 2.531,549 1.542,550 1.45,551 1.043,552 0.765,553 0.503,554 12028,555 36459,556 1.935,557 46.8,558 5,559 8,562 5,564 11,567 1.765,568 1.744,569 3.177,570 2.401,572 1,575 106.952,576 1.725,577 3.694,578 4.591,579 5.018,580 5.05,581 5.083,582 2.625,583 4.658,584 5.015,585 3.386,586 1787.79,587 8.859,588 26009.4,593 369.16,594 1.723,595 4.925,596 0.229,597 0.011,598 0.087,599 0.061,600 0.043,601 0.026,602 0.022,603 0.016,604 0.014,605 0.011,606 0.52,607 0.17,608 0.75,609 1.529,610 170.294,611 -0.08,612 -0.112,613 0.057,614 -0.029,615 -0.103,616 0.021,617 0.073,618 -0.103,619 0.203,620 0.082,621 0.118,622 0.141,623 0.001,624 0.016,625 0.024,626 -0.026,627 -0.05,628 -0.036,629 0.115,630 0.092,631 0.22,632 0.086,633 0.138,634 0.186,635 -0.178,636 -0.022,637 -0.165,638 0.003,639 -0.158,640 -0.085,641 0.014,642 0.034,643 -0.027,644 -0.004,645 0.054,646 -0.007,647 0.086,648 -0.025,649 -0.032,650 -0.087,651 0.05,652 -0.079,653 -0.034,654 -0.147,655 -0.109,656 -0.143,657 -0.111,658 -0.187,659 2.496,660 6.769,661 0.455,662 30.244,663 1.013,664 1.136,665 0.473,666 0.223,667 0.647,668 3.584,669 3.951,670 4.19,671 4.477,672 4.644,673 4.762,674 4.913,675 5.011,676 5.106,677 5.037,678 6.183,679 0.616,680 475.63,681 3.584,682 5.153,683 6.004,684 6.911,685 7.784,686 8.695,687 9.581,688 10.492,689 11.385,690 12.297,691 8.1,695 1,698 3,701 1,709 3,710 1,713 1,714 6,716 11,722 1,724 1,728 1,735 2,738 62,739 14,740 1,741 35,743 64,744 22,745 9,746 3,747 3,748 2,752 3,753 4,759 4,766 3,768 12,769 10,770 1,772 3,778 3,782 3,789 29,790 10,791 5,792 11,793 1,795 1,797 5,803 0.667,804 5,822 1,823 2,827 1,838 1,855 2,857 1,859 4,862 33,863 2,869 4,871 1,872 2,874 1,875 1,876 1,886 8.1,889 3,891 2,893 18.917,894 12.15,895 7.208,896 3.715,898 1.847,899 1.251,900 0.929,901 7.979,902 9.207,903 3.795,904 4.353,905 4.849,906 5.383,907 5.747,908 6.027,909 6.299,910 6.575,911 6.845,912 6.953,913 1,914 54,915 12.357,917 5.376,918 8.013,919 22.806,921 18.44,924 2.513,925 82.917,929 282.506,930 143.265,931 101.905,933 97.435,935 31.052,936 112.213,937 379.941,938 101.905,939 35.301,940 68.286,941 61.326,942 104.525,943 40.757,944 1.358,945 313.558,947 282.506,948 214.118,949 97.435,950 31.052,952 153.024,953 226.917,956 106.344,957 92.799,958 14.976,959 31.052,960 282.506,961 199.34,962 143.265,965 282.506,966 79.535,967 66.854,968 18.011,969 178.205,970 282.506,971 199.34,972 143.265,973 0.591,974 0.334,975 0.188,976 0.099,977 23,978 13,979 0.125,980 8,981 1,982 1.133,983 3.972,984 314.634,985 0.133,986 15,987 161.71,989 1,993 25.403,994 10.366,995 5.831,997 199.34,998 5.038,999 3.942,1002 0.77,1003 1.21,1005 83.805,1006 625.111,1007 43.5,1013 38.703,1017 -1.702,1020 62.825,1021 70.441,1022 0.29,1023 0.62,1024 0.771,1025 0.843,1026 0.848,1027 0.854,1028 5.08,1029 1.618,1030 6.052,1031 4.731,1032 4.635,1033 5.04,1034 2.731,1035 6.934,1036 4.549,1037 6.307,1038 1.434,1039 7.667,1040 4.317,1041 4.511,1042 5.037,1043 1.668,1044 8.111,1045 4.412,1046 7.64,1047 1.391,1048 9.387,1049 3.516,1050 6.34,1051 7.178,1052 3.346,1053 11.154,1054 6.173,1055 9.006,1056 1.144,1057 11.166,1058 3.005,1059 6.976,1060 7.941,1061 3.162,1062 13.07,1063 6.787,1064 10.401,1065 1.016,1066 12.979,1067 2.743,1068 8.36,1069 9.636,1070 4.334,1071 15.696,1072 8.113,1073 11.817,1074 0.678,1075 14.815,1076 2.432,1077 9.3,1078 10.732,1079 4.591,1080 17.896,1081 9.02,1082 13.247,1083 0.642,1084 16.667,1085 1.599,1086 10.53,1087 12.26,1088 5.524,1089 20.388,1090 10.202,1091 3.298,1092 0.027,1093 18.53,1094 1.346,1095 11.595,1096 13.513,1097 5.987,1098 22.711,1099 11.228,1100 3.135,1101 11.802,1102 20.401,1103 0.062,1104 12.773,1105 14.975,1106 6.801,1107 25.159,1108 12.361,1109 3.008,1110 10.399,1111 22.279,1112 4.211,1113 13.889,1114 16.306,1115 7.363,1116 27.54,1117 13.437,1118 2.826,1119 10.055,1120 24.163,1121 3.95,1122 15.051,1123 17.74,1124 8.114,1125 29.977,1126 14.555,1127 2.42,1128 9.132,1129 26.052,1130 3.429,1131 16.191,1132 19.112,1133 8.727,1134 32.389,1135 15.654,1136 2.194,1137 7.802,1138 27.945,1139 3.194,1140 17.35,1141 20.536,1142 9.443,1143 34.827,1144 16.771,1145 1.681,1146 6.944,1147 29.842,1148 2.925,1149 18.503,1150 21.93,1151 10.083,1152 37.256,1153 17.881,1154 12118,1155 21352,1156 21.789,1157 40.085,1158 53.974,1159 56.395,1160 56.212,1161 52.98,1162 53.026,1163 64.652,1164 12.682,1165 159.772,1166 50.745,1167 5.51,1168 5.913,1169 6.741,1170 5.397,1171 5.298,1172 7.211,1173 3.435,1174 19.508,1175 5.154,1176 22.398,1177 1.542,1178 1.611,1179 1.606,1180 1.514,1181 1.515,1182 1.847,1183 0.362,1184 4.565,1185 1.45,1186 4.015,1187 4.037,1188 4.242,1189 3.914,1190 7.439,1191 3.909,1192 3.873,1193 3.885,1194 3.922,1195 3.805,1196 7.431,1197 3.782,1198 3.796,1199 3.846,1200 3.711,1201 3.64,1202 7.423,1203 3.642,1204 3.654,1205 3.718,1206 3.515,1207 3.511,1208 5.108,1209 3.498,1210 3.482,1211 3.535,1212 3.367,1213 3.271,1214 4.946,1215 3.282,1216 3.352,1217 3.403,1218 3.31,1219 3.143,1220 4.873,1221 3.154,1222 3.282,1223 3.332,1224 3.169,1225 3.034,1226 4.462,1227 3.057,1228 3.043,1229 3.098,1230 3.05,1231 2.767,1232 4.399,1233 2.79,1234 0.13,1235 0.112,1236 0.2,1237 0.122,1238 0.094,1239 4.565,1240 0.12,1241 3.913,1242 0.056,1243 6.983,1244 0.337,1245 4.257,1246 0.09,1247 3.298,1248 4.211,1249 1.96,1250 11.802,1251 3.154,1252 1.913,1253 1.894,1254 2.021,1255 2.057,1256 1.291,1257 2.043,1258 1.765,1259 1.716,1260 1.969,1261 1.953,1262 1.151,1263 1.957,1264 1.673,1265 1.618,1266 1.927,1267 1.854,1268 1.105,1269 1.879,1270 1.591,1271 1.561,1272 1.7,1273 1.786,1274 0.933,1275 1.757,1276 1.436,1277 1.391,1278 1.645,1279 1.677,1280 0.772,1281 1.676,1282 1.343,1283 1.313,1284 1.555,1285 1.55,1286 0.683,1287 1.559,1288 1.24,1289 1.198,1290 1.417,1291 1.482,1292 0.469,1293 1.472,1294 0.934,1295 0.843,1296 1.417,1297 1.277,1298 0.469,1299 1.308,1300 4.263,1302 5.617,1303 2.398,1304 7.152,1305 4.727,1306 8.773,1307 6.823,1308 10.441,1310 7.523,1313 11.361,1315 1.83,1317 2.955,1318 11.267,1320 -0.845,1321 1.372,1322 -0.507,1326 38.19,1327 106.952,1328 229.047,1329 284.631,1330 311.121,1331 313.121,1332 315.121,1333 111.087,1334 7.359,1335 149.87,1336 178.11,1337 17,1338 12.814,1339 3.907,1340 3.248,1341 63.308,1342 112,1343 128,1344 0.257,1345 241.286,1346 426.62,1347 580.498,1348 13065,1350 24.336,1351 0.737,1352 0.605,1353 24.69,1354 19.953,1355 15.53,1356 0.444,1357 0.326,1358 10.518,1359 14.342,1360 10.081,1361 8.441,1362 15.984,1363 11.406,1364 15.017,1365 0.294,1366 0.185,1367 15.541,1368 9.458,1369 11.229,1370 0.173,1371 0.088,1372 12.017,1373 5.704,1374 9.931,1375 0.114,1376 0.048,1377 10.85,1378 4.205,1379 7.149,1380 0.069,1381 0.026,1382 7.796,1383 2.696,1384 0.387,1385 103.182,1386 0.214,1387 29.744,1388 0.764,1389 172,1390 569.786,1391 217.254,1392 557.421,1393 744.12,1394 516,1395 202,1396 523.658,1397 249.021,1398 541.197,1399 793.66,1400 506,1401 5.801}
{0 CHEMBL1401165,1 1.617,2 8.577,3 2.463,4 6.066,5 96.611,6 8.079,7 0.69,8 3.893,9 4.009,10 3.53,11 3.423,12 5.098,13 3.434,14 4.374,15 4.524,16 3.9,17 3.789,18 5.547,19 3.79,20 4.575,21 4.764,22 3.951,23 3.85,24 5.726,25 3.841,26 4.616,27 4.812,28 3.98,29 3.857,30 5.909,31 3.847,32 4.608,33 4.801,34 3.978,35 3.87,36 5.866,37 3.87,38 4.626,39 4.796,40 3.942,41 3.918,42 5.854,43 3.898,44 4.651,45 4.859,46 3.805,47 3.862,48 5.868,49 3.8,50 4.605,51 4.848,52 3.517,53 3.726,54 5.692,55 3.627,56 0.07,57 0.676,58 7.547,59 3.384,60 11.537,61 4.11,62 0.23,63 1.057,64 13.78,65 5.546,66 18.914,67 6.977,68 0.369,69 1.237,70 19.144,71 6.533,72 35.138,73 8.492,74 0.514,75 1.287,76 20.09,77 6.591,78 61.186,79 8.655,80 0.501,81 1.245,82 20.268,83 6.358,84 59.288,85 8.156,86 0.391,87 1.274,88 19.322,89 6.749,90 45.605,91 8.234,92 0.429,93 1.25,94 21.344,95 7.51,96 52.832,97 9.994,98 0.399,99 1.095,100 22.884,101 7.734,102 54.986,103 10.287,104 14,105 41,106 0.276,107 0.647,108 0.793,109 0.863,110 0.871,111 0.887,112 3.306,113 0.843,114 -2.97,115 -2.97,116 -2.87,120 44.2,126 2,135 1,136 1,143 6,144 1,147 3,152 1,153 1,154 1,159 1,162 1,164 1,165 1,166 1,174 5,176 1,177 7,179 1,180 2,182 3,185 2,187 1,188 3,189 6,194 1,197 1,200 2,201 5,203 3,204 5,205 1,208 1,209 2,213 2,214 5,216 1,217 2,219 1,222 4,224 1,226 1,227 6,232 5,235 2,237 4,239 1,240 8,243 1,245 6,247 1,249 3,252 5,257 2,260 4,264 2,271 7,274 932,275 17.922,276 17.922,277 17.922,278 17.922,279 17.922,280 15.333,281 16.032,282 10.753,283 18.172,284 14.309,285 14.309,286 14.309,287 14.309,288 14.309,289 10.326,290 21.237,291 5.087,292 14.743,293 3.809,294 1.633,295 0.779,296 0.372,297 0.326,298 0.233,299 4.002,305 1,306 1,307 1,308 485,309 3.317,312 99.637,313 109.895,316 76.841,317 92.282,320 1.423,321 28.177,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 56.5,333 223,334 4.82,335 3.671,336 7.118,337 4.35,338 3.394,339 4.831,340 1.081,341 12.353,342 3.25,343 4.289,344 3.223,345 6.189,346 3.791,347 2.82,348 4.109,349 0.522,350 9.182,351 2.737,352 3.955,353 2.851,354 6.006,355 3.588,356 2.602,357 3.494,358 0.473,359 8.394,360 2.565,361 3.751,362 2.64,363 5.564,364 3.326,365 2.346,366 3.161,368 7.052,369 2.287,370 3.409,371 2.051,372 5.279,373 2.926,374 1.977,375 2.786,377 6.37,378 1.87,379 3.205,380 1.998,381 4.776,382 2.731,383 1.782,384 2.463,386 5.003,387 1.686,388 2.901,389 1.938,390 4.394,391 2.479,392 1.514,393 2.094,395 4.002,396 1.459,397 2.892,398 1.554,399 3.63,400 2.393,401 1.403,402 1.978,404 3.004,405 1.389,406 2.727,407 1.407,408 3.599,409 2.263,410 1.265,411 1.675,413 2.656,414 1.258,415 2.583,416 1.27,417 3.471,418 2.112,419 1.118,420 1.59,422 2.354,423 1.108,424 2.118,425 0.756,426 3.255,427 1.618,428 0.618,429 0.927,431 1.49,432 0.618,433 2.018,434 0.644,435 3,436 1.525,437 0.576,438 0.808,440 1.372,441 0.545,442 1.658,443 0.618,444 2.953,445 1.19,446 0.237,447 0.294,449 0.445,450 0.224,451 1.351,452 0.363,453 2.669,454 0.948,455 -0.043,456 -0.059,458 -0.09,459 -0.042,460 1.047,461 -0.233,462 2.551,463 0.552,464 -0.402,465 -0.558,467 -1.085,468 -0.382,469 12.167,470 0.468,471 0.572,472 0.022,473 36.75,474 1.413,475 19,476 0.731,477 17.75,478 0.683,479 17.862,480 0.687,481 26.833,482 0.624,483 28.48,484 1.095,485 7.62,486 0.293,487 5.066,488 0.195,489 0.101,491 0.362,496 0.888,497 1.295,498 0.723,499 1,500 0.782,501 0.85,502 0.86,503 1.184,504 0.784,505 1.006,506 0.645,507 0.901,508 1.107,509 1.225,510 0.886,511 0.958,512 1.013,513 0.897,514 0.961,515 0.977,516 0.927,517 0.925,518 1.17,519 0.914,520 1.248,521 0.898,522 0.937,523 0.766,524 1.314,525 0.773,526 1.426,527 1.182,528 1.182,529 1.067,530 1.484,531 1.073,532 0.949,533 1.128,534 1.123,535 1.161,536 1.001,537 1.16,538 1.234,539 0.838,540 1.162,541 0.995,542 1.279,543 1.052,544 4,545 0.045,546 2.667,547 2.458,548 1.832,549 1.195,550 0.772,551 0.405,552 0.194,553 0.087,554 7165,555 20033,556 2.124,557 39.5,559 13,560 1,562 3,567 1.7,568 2,569 3.088,570 0.974,571 1,572 1,574 1,575 69.522,576 1.617,577 3.793,578 4.647,579 5.054,580 5.101,581 5.194,582 2.563,583 4.008,584 4.664,585 3.259,586 1059.06,587 8.141,588 12789.5,590 1,592 1,593 233.329,594 1.37,595 4.637,596 0.138,597 0.005,598 0.065,599 0.059,600 0.044,601 0.028,602 0.019,603 0.012,604 0.008,605 0.005,606 0.382,607 0.33,608 1,609 1.263,610 124.007,611 -0.106,612 -0.149,613 0.038,614 -0.031,615 -0.143,616 0.024,617 0.05,618 -0.083,619 0.06,620 -0.053,621 0.009,622 -0.009,623 -0.04,624 -0.175,625 0.055,626 -0.025,627 -0.075,628 0.013,629 0.157,630 0.103,631 0.026,632 -0.021,633 0.128,634 -0.027,635 -0.037,636 0.17,637 0.025,638 0.146,639 -0.007,640 0.114,641 -0.252,642 -0.122,643 -0.268,644 -0.134,645 -0.196,646 -0.19,647 0.03,648 -0.133,649 -0.16,650 -0.201,651 0.06,652 -0.204,653 -0.18,654 0.063,655 -0.115,657 -0.123,658 -0.03,659 1.977,660 5.647,661 0.692,662 23.219,663 1.011,664 1.126,665 1.742,666 3.034,667 0.686,668 3.401,669 3.738,670 4.078,671 4.419,672 4.673,673 4.868,674 5.106,675 5.273,676 5.328,677 5.318,678 5.44,679 0.667,680 347.41,681 3.401,682 4.949,683 5.826,684 6.73,685 7.636,686 8.555,687 9.476,688 10.404,689 11.332,690 12.265,691 11.6,695 1,698 1,699 1,701 2,708 4,709 7,710 2,712 1,714 3,715 1,716 20,723 1,728 1,738 43,739 22,740 1,741 29,743 46,744 19,745 14,746 2,747 4,748 1,752 4,753 7,768 17,769 2,772 2,773 1,778 1,780 1,782 1,785 1,786 1,788 1,789 17,790 6,791 3,792 7,797 5,803 0.5,804 2,813 1,818 1,822 2,823 2,826 1,827 1,843 1,845 1,855 2,862 26,863 1,869 2,871 1,886 4.7,889 1,891 1,893 13,894 7.683,895 5.778,896 2.386,898 3.998,899 1.525,900 1.034,901 4.288,902 11.618,903 3.738,904 4.401,905 5.089,906 5.792,907 6.389,908 6.915,909 7.504,910 8.033,911 8.417,912 8.711,913 0.833,914 42,915 9.584,917 4.145,918 7.821,919 17.971,921 14.701,924 2.321,925 60.333,928 1,929 164.795,930 121.866,931 86.378,933 34.652,936 121.866,937 199.448,938 86.378,940 37.989,941 110.97,942 65.136,943 23.352,944 17.22,945 153.024,947 164.795,948 208.244,949 34.652,952 164.795,953 34.652,956 34.597,957 130.6,958 43.047,960 164.795,961 121.03,962 121.866,965 164.795,966 28.026,967 79.972,968 18.011,969 116.887,970 164.795,971 121.03,972 121.866,973 0.574,974 0.345,975 0.2,976 0.111,977 21,978 9,979 0.109,980 5,981 2,982 1.222,983 3.71,984 232.671,985 0.222,986 18,987 122.211,993 16.517,994 6.75,995 2.932,996 2.444,997 119.131,998 12.739,999 9.318,1001 5.425,1003 1.321,1004 1.746,1005 50.908,1006 407.692,1007 41,1008 3.616,1013 12.647,1015 1.608,1017 -0.31,1020 43.465,1021 48.402,1022 0.298,1023 0.699,1024 0.856,1025 0.931,1026 0.94,1027 0.957,1028 4.963,1029 1.403,1030 5.814,1031 4.002,1032 4.419,1033 5.088,1034 1.465,1035 6.681,1036 4.356,1037 6.195,1038 1.265,1039 7.401,1040 3.004,1041 4.007,1042 4.997,1044 7.687,1045 3.907,1046 7.525,1047 1.118,1048 9.095,1049 2.656,1050 6.047,1051 7.425,1052 1.381,1053 10.871,1054 5.912,1055 8.9,1056 0.618,1057 10.854,1058 2.354,1059 6.524,1060 8.239,1062 12.762,1063 6.347,1064 10.312,1065 0.576,1066 12.655,1067 1.49,1068 8.01,1069 10.107,1070 1.448,1071 15.472,1072 7.796,1073 11.753,1074 0.237,1075 14.486,1076 1.372,1077 8.893,1078 11.335,1080 17.73,1081 8.633,1082 13.217,1083 -0.043,1084 16.339,1085 0.445,1086 10.181,1087 12.998,1088 1.557,1089 20.295,1090 9.88,1091 3.394,1092 -0.402,1093 18.209,1094 -0.09,1095 11.246,1096 14.413,1098 22.705,1099 10.898,1100 2.82,1101 12.353,1102 20.093,1103 -1.085,1104 12.469,1105 16.003,1106 1.679,1107 25.228,1108 12.078,1109 2.602,1110 9.182,1111 21.989,1112 4.831,1113 13.615,1114 17.501,1116 27.699,1117 13.175,1118 2.346,1119 8.394,1120 23.894,1121 4.109,1122 14.821,1123 19.068,1124 1.807,1125 30.211,1126 14.337,1127 1.977,1128 7.052,1129 25.808,1130 3.494,1131 16.003,1132 20.603,1134 32.706,1135 15.471,1136 1.782,1137 6.37,1138 27.728,1139 3.161,1140 17.209,1141 22.165,1142 1.939,1143 35.217,1144 16.631,1145 1.514,1146 5.003,1147 29.654,1148 2.786,1149 18.408,1150 23.717,1152 37.723,1153 17.784,1154 6897,1155 11657,1156 19.592,1157 29.506,1158 43.892,1159 44.795,1160 44.949,1161 43.307,1162 43.302,1163 60.42,1164 4.15,1165 127.354,1166 41.992,1167 5.65,1168 5.671,1169 6.981,1170 5.422,1171 5.394,1172 7.831,1173 2.162,1174 19.808,1175 5.25,1176 10.955,1177 1.514,1178 1.545,1179 1.55,1180 1.493,1181 1.493,1182 2.083,1183 0.143,1184 4.392,1185 1.448,1186 4.187,1187 4.226,1188 4.171,1189 4.053,1190 7.429,1191 4.078,1192 3.899,1193 3.918,1194 3.844,1195 3.769,1196 5.208,1197 3.782,1198 3.787,1199 3.813,1200 3.737,1201 3.664,1202 5.057,1203 3.679,1204 3.619,1205 3.686,1206 3.5,1207 3.463,1208 4.956,1209 3.459,1210 3.254,1211 3.299,1212 3.173,1213 3.026,1214 4.719,1215 3.059,1216 3.137,1217 3.215,1218 3.043,1219 2.948,1220 4.452,1221 2.961,1222 2.971,1223 3.068,1224 2.865,1225 2.796,1226 4.133,1227 2.798,1228 2.908,1229 2.993,1230 2.724,1231 2.686,1232 3.937,1233 2.686,1234 0.166,1235 0.127,1236 0.245,1237 0.15,1238 0.117,1239 4.82,1240 0.167,1241 3.671,1242 0.037,1243 7.118,1244 0.426,1245 4.35,1246 0.112,1247 3.394,1248 4.831,1249 1.081,1250 12.353,1251 3.25,1252 2.007,1253 1.977,1254 2.071,1255 2.129,1256 1.153,1257 2.111,1258 1.696,1259 1.653,1260 1.856,1261 1.911,1262 1.012,1263 1.886,1264 1.636,1265 1.592,1266 1.798,1267 1.822,1268 0.91,1269 1.822,1270 1.517,1271 1.476,1272 1.629,1273 1.647,1274 0.726,1275 1.65,1276 1.435,1277 1.393,1278 1.604,1279 1.587,1280 0.637,1281 1.597,1282 1.24,1283 1.219,1284 1.381,1285 1.508,1286 0.37,1287 1.469,1288 1.007,1289 0.936,1290 1.295,1291 1.335,1292 0.205,1293 1.324,1294 0.918,1295 0.856,1296 1.166,1297 1.123,1298 0.158,1299 1.135,1300 4.078,1302 5.407,1303 3.045,1304 6.938,1305 5.416,1306 8.571,1307 7.545,1308 10.265,1313 6.323,1315 0.696,1317 2.76,1326 28.697,1327 69.522,1328 163.091,1329 199.82,1330 217.329,1331 219.329,1332 223.329,1333 41.779,1334 7.62,1335 98.97,1336 98.97,1337 22,1338 12.766,1339 4.524,1340 3.7,1341 37.611,1342 85,1343 99,1344 0.227,1345 176.141,1346 290.4,1347 421.545,1348 19147,1350 18.096,1351 0.696,1352 0.538,1353 18.096,1354 13.976,1355 12.686,1356 0.437,1357 0.281,1358 8.018,1359 12.173,1360 7.879,1361 6.528,1362 12.686,1363 8.147,1364 11.21,1365 0.273,1366 0.142,1367 11.21,1368 5.809,1369 9.843,1370 0.17,1371 0.071,1372 9.843,1373 4.12,1374 8.633,1375 0.105,1376 0.036,1377 8.633,1378 2.913,1379 6.89,1380 0.065,1381 0.018,1382 6.89,1383 1.92,1384 0.34,1385 79.698,1386 0.226,1387 24.492,1388 0.675,1389 140,1390 422.052,1391 155.471,1392 409.509,1393 570.14,1394 384,1395 169,1396 434.69,1397 185.778,1398 437.259,1399 647.62,1400 413,1401 4.363}
{0 CHEMBL1401342,1 1.273,2 6.267,3 3.162,4 10,5 58.332,6 6.59,7 0.353,8 3.536,9 3.644,10 2.999,11 3.117,12 4.536,13 3.068,14 4.126,15 4.284,16 3.406,17 3.61,18 5.018,19 3.521,20 4.494,21 4.73,22 3.289,23 3.683,24 5.441,25 3.517,26 4.414,27 4.707,28 3.02,29 3.472,30 5.198,31 3.289,32 4.122,33 4.382,34 2.883,35 3.286,36 4.906,37 3.121,38 3.998,39 4.248,40 2.729,41 3.028,42 4.931,43 2.888,44 3.76,45 4.018,46 2.26,47 2.549,48 4.819,49 2.418,50 3.243,51 3.534,52 1.306,53 1.856,54 4.265,55 1.669,56 0.046,57 0.402,58 7.426,59 3.439,60 7.965,61 4.436,62 0.038,63 0.725,64 13.474,65 6.291,66 9.943,67 8.42,68 0.226,69 0.952,70 20.396,71 8.309,72 42.545,73 11.557,74 0.187,75 0.831,76 19.158,77 7.277,78 32.187,79 10.315,80 0.1,81 0.644,82 14.001,83 5.637,84 18.613,85 7.899,86 0.129,87 0.533,88 12.722,89 4.565,90 21.909,91 6.256,92 0.183,93 0.375,94 10.481,95 3.117,96 28.392,97 4.152,98 0.146,99 0.203,100 6.318,101 1.683,102 22.074,103 2.264,104 5,105 25,106 0.246,107 0.562,108 0.716,109 0.858,110 0.896,111 0.908,112 2.797,113 1.016,114 -3.88,115 -3.84,116 -3.64,120 41.9,122 4,123 3,143 3,144 1,145 2,174 12,182 2,185 17,193 1,194 4,197 11,206 3,209 9,219 3,222 5,232 5,235 1,245 4,257 1,274 194,275 10.102,276 10.102,277 10.102,278 10.102,279 10.102,280 9.298,281 7.77,282 5.751,283 10.17,284 8.383,285 8.383,286 8.383,287 8.383,288 8.383,289 7.23,290 5.893,291 2.75,292 8.528,293 3.681,294 2.05,295 1.25,296 0.516,297 0.323,298 0.258,299 3.463,306 1,307 1,308 208,309 1.732,312 62.272,313 80.986,320 0.951,321 13.498,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 32,333 94,334 4.318,335 3.295,336 6.572,337 4.138,338 3.14,339 3.906,341 10.484,342 3.133,343 3.996,344 2.962,345 5.911,346 3.714,347 2.75,348 3.175,350 8.166,351 2.648,352 3.434,353 2.402,354 5.394,355 3.217,356 2.232,357 2.6,359 6.844,360 2.189,361 2.821,362 1.73,363 4.868,364 2.686,365 1.689,366 1.949,368 5.253,369 1.683,370 2.748,371 1.691,372 4.098,373 2.372,374 1.414,375 1.757,377 3.543,378 1.347,379 2.238,380 1.176,381 3.996,382 2.128,383 1.134,384 1.222,386 3.137,387 1.125,388 1.634,389 0.653,390 3.261,391 1.612,392 0.614,393 0.622,395 1.556,396 0.612,397 1.325,398 0.439,399 2.717,400 1.015,401 0.098,402 0.115,404 0.218,405 0.089,406 0.744,407 -0.28,408 2.376,409 0.393,410 -0.569,411 -0.654,413 -1.561,414 -0.541,415 0.269,416 -0.644,417 2.272,418 0.129,419 -0.848,420 -0.975,422 -2.466,423 -0.822,424 -0.053,425 -1.119,426 1.921,427 -0.292,428 -1.267,429 -1.316,431 -3.453,432 -1.217,433 -0.172,434 -1.197,435 1.511,436 -0.382,437 -1.358,438 -1.506,440 -3.708,441 -1.301,442 -0.321,443 -1.334,444 1.281,445 -0.506,446 -1.414,447 -1.764,449 -4.029,450 -1.343,451 -0.5,452 -1.556,453 1.262,454 -0.662,455 -1.655,456 -1.85,458 -4.989,459 -1.648,460 -0.589,461 -1.819,462 1.106,463 -0.962,464 -1.959,465 -2,467 -5.956,468 -1.955,469 7.167,470 0.478,471 0.435,472 0.029,473 16,474 1.067,475 7,476 0.467,477 9,478 0.6,479 12.474,480 0.832,481 16.833,482 0.543,483 8.02,484 0.535,485 2.452,486 0.163,487 4.785,488 0.319,489 0.093,491 0.419,496 0.955,497 0.964,498 0.935,499 0.96,500 0.941,501 0.947,502 0.491,503 1.186,504 0.928,505 1.184,506 0.43,507 1.125,508 0.559,509 1.222,510 1.061,511 1.232,512 0.496,513 1.217,514 0.778,515 0.818,516 0.842,517 0.823,518 0.789,519 0.839,520 0.645,521 1.041,522 0.93,523 1.045,524 0.708,525 1.028,526 1.269,527 1.105,528 1.052,529 1.09,530 1.345,531 1.048,532 2.295,533 0.922,534 1.272,535 0.904,536 2.338,537 0.942,538 2.744,539 0.58,540 1.369,541 0.583,542 2.723,543 0.76,544 3.5,546 2,547 0.75,548 0.694,549 0.413,550 0.263,551 0.115,552 0.02,554 1675,555 3568,556 2.145,557 51.6,558 11,559 3,562 2,567 1.53,568 2,569 2.692,570 0.366,574 1,575 39.474,576 1.273,577 2.904,578 3.704,579 4.438,580 4.632,581 4.696,582 2.149,583 3.64,584 3.884,585 2.735,586 287.164,587 6.503,588 2289.1,590 1,593 153.58,594 1.429,595 3.837,596 0.206,598 0.08,599 0.039,600 0.046,601 0.032,602 0.026,603 0.023,604 0.02,606 0.473,607 1,608 1,609 0.648,610 57.493,611 -0.113,612 0.189,613 0.013,614 0.179,615 -0.079,616 0.122,617 0.017,618 -0.081,619 -0.025,620 -0.078,621 0.086,622 -0.06,623 0.146,624 -0.235,625 -0.133,626 -0.24,627 0.208,628 -0.227,629 -0.009,630 0.106,631 0.104,632 0.112,633 -0.027,634 0.122,635 0.013,636 -0.075,637 -0.002,638 -0.069,639 -0.053,640 -0.042,641 -0.055,642 -0.174,643 -0.053,644 -0.163,645 -0.133,646 -0.115,647 -0.271,648 -0.059,649 -0.168,650 -0.064,651 -0.312,652 -0.097,653 -0.444,654 0.222,655 -0.228,656 0.193,657 -0.422,658 0.037,659 1.679,660 3.481,661 0.867,662 6.996,663 0.991,664 1.121,665 2.653,666 7.037,667 0.645,668 2.89,669 3.258,670 3.555,671 3.829,672 3.989,673 3.989,674 3.989,675 4.007,676 3.951,677 3.738,678 3.807,679 0.601,680 204.29,681 2.89,682 4.443,683 5.313,684 6.209,685 7.098,686 7.996,687 8.891,688 9.791,689 10.689,690 11.59,709 3,714 3,716 6,734 2,738 31,739 6,740 1,741 17,743 33,744 13,745 6,746 3,747 3,752 3,753 4,763 4,764 3,766 4,768 6,769 7,770 3,786 1,789 16,790 2,791 2,792 2,803 0.667,804 2,822 2,823 2,855 2,862 15,868 2,869 4,874 3,886 6.5,888 2,893 7.5,894 5.15,895 3.167,896 2.051,898 1.157,899 1.188,900 0.912,901 2.078,902 7.312,903 3.045,904 3.597,905 4.082,906 4.542,907 4.985,908 5.052,909 5.166,910 5.312,911 5.395,912 5.321,913 1,914 19,915 5.596,916 -0.001,917 2.518,918 7.7,919 11.126,921 10.253,924 2.2,925 33,926 0.008,929 164.795,930 41.752,933 85.367,936 41.752,937 250.162,940 10.138,941 28.429,942 85.367,943 3.186,945 164.795,947 164.795,948 41.752,949 85.367,952 164.795,953 85.367,956 10.138,957 31.614,960 164.795,961 85.367,962 41.752,965 164.795,966 13.324,967 28.429,969 85.367,970 164.795,971 85.367,972 41.752,973 0.6,974 0.355,975 0.182,976 0.094,977 15,978 6,979 0.03,980 1,981 2,982 1.231,983 2.786,984 104.561,985 0.308,986 12,987 58.603,993 9.375,994 3.325,995 1.486,997 85.367,998 5.303,1003 1.217,1005 85.367,1006 291.915,1007 20,1020 30.723,1021 34.74,1022 0.257,1023 0.586,1024 0.748,1025 0.896,1026 0.935,1027 0.948,1028 4.324,1029 0.098,1030 5.323,1031 1.556,1032 3.932,1033 4.277,1035 6.159,1036 3.9,1037 5.502,1038 -0.569,1039 6.901,1040 0.218,1041 3.611,1042 4.086,1044 7.066,1045 3.544,1046 6.803,1047 -0.848,1048 8.573,1049 -1.561,1050 5.557,1051 6.332,1053 10.164,1054 5.503,1055 8.133,1056 -1.267,1057 10.297,1058 -2.466,1059 6.043,1060 6.919,1062 11.889,1063 5.959,1064 9.494,1065 -1.358,1066 12.055,1067 -3.453,1068 7.48,1069 8.699,1071 14.499,1072 7.409,1073 10.874,1074 -1.414,1075 13.836,1076 -3.708,1077 8.319,1078 9.636,1080 16.571,1081 8.23,1082 12.269,1083 -1.655,1084 15.635,1085 -4.029,1086 9.564,1087 11.222,1089 19.011,1090 9.482,1091 3.14,1092 -1.959,1093 17.446,1094 -4.989,1095 10.561,1096 12.338,1098 21.235,1099 10.469,1100 2.75,1101 10.484,1102 19.268,1103 -5.956,1104 11.73,1105 13.827,1107 23.613,1108 11.643,1109 2.232,1110 8.166,1111 21.098,1112 3.906,1113 12.799,1114 15.043,1116 25.906,1117 12.708,1118 1.689,1119 6.844,1120 22.936,1121 3.175,1122 13.941,1123 16.478,1125 28.262,1126 13.853,1127 1.414,1128 5.253,1129 24.779,1130 2.6,1131 15.042,1132 17.752,1134 30.585,1135 14.954,1136 1.134,1137 3.543,1138 26.628,1139 1.949,1140 16.176,1141 19.157,1143 32.934,1144 16.09,1145 0.614,1146 3.137,1147 28.48,1148 1.757,1149 17.294,1150 20.466,1152 35.271,1153 17.209,1154 1642,1155 2454,1156 11.444,1157 20,1158 26.204,1159 26.439,1160 27.024,1161 26.138,1162 26.142,1163 30.694,1165 78.404,1166 25.654,1167 5.318,1168 5.295,1169 5.87,1170 5.138,1171 5.14,1172 6.906,1174 17.381,1175 5.133,1176 6.097,1177 1.541,1178 1.555,1179 1.59,1180 1.538,1181 1.538,1182 1.806,1184 4.612,1185 1.509,1186 4.061,1187 4.098,1188 3.974,1189 3.99,1190 6.53,1191 3.981,1192 3.82,1193 3.844,1194 3.74,1195 3.731,1196 6.402,1197 3.729,1198 3.149,1199 3.21,1200 3.013,1201 2.997,1202 4.557,1203 2.989,1204 2.944,1205 3.003,1206 2.798,1207 2.767,1208 4.279,1209 2.754,1210 2.915,1211 2.966,1212 2.726,1213 2.745,1214 3.566,1215 2.741,1216 2.799,1217 2.9,1218 2.554,1219 2.606,1220 3.393,1221 2.579,1222 2.628,1223 2.709,1224 2.375,1225 2.388,1226 3.177,1227 2.372,1228 2.32,1229 2.386,1230 2.061,1231 1.727,1232 3.102,1233 1.795,1234 0.254,1235 0.194,1236 0.387,1237 0.243,1238 0.185,1239 4.318,1240 0.23,1241 3.295,1243 6.572,1244 0.617,1245 4.138,1246 0.184,1247 3.14,1248 3.906,1250 10.484,1251 3.133,1252 1.932,1253 1.911,1254 2.057,1255 2.024,1256 1.439,1257 2.034,1258 1.68,1259 1.635,1260 1.875,1261 1.821,1262 1.223,1263 1.842,1264 1.529,1265 1.474,1266 1.766,1267 1.678,1268 1.033,1269 1.711,1270 1.152,1271 1.088,1272 1.454,1273 1.36,1274 0.742,1275 1.392,1276 0.883,1277 0.839,1278 1.139,1279 1.138,1280 0.173,1281 1.131,1282 0.716,1283 0.666,1284 0.989,1285 1.022,1286 0.114,1287 1.011,1288 0.312,1289 0.164,1290 0.866,1291 0.715,1292 0.01,1293 0.751,1294 0.119,1295 0.033,1296 0.666,1297 0.66,1299 0.686,1300 3.555,1302 4.905,1303 3.045,1304 6.454,1305 5.352,1306 8.088,1307 7.402,1308 9.767,1314 18.749,1315 5.378,1320 2.352,1326 18.644,1327 39.474,1328 90.017,1329 114.825,1330 137.58,1331 143.58,1332 145.58,1333 21.628,1334 6.155,1335 40.46,1336 40.46,1337 16,1338 12.112,1339 2.807,1340 2,1341 19.971,1342 34,1343 30,1344 0.305,1345 112.501,1346 195.14,1347 266.262,1348 2929,1350 10.414,1351 0.694,1352 0.579,1353 10.414,1354 8.687,1355 7.237,1356 0.426,1357 0.339,1358 5.726,1359 7.103,1360 5.617,1361 4.604,1362 7.237,1363 5.757,1364 6.866,1365 0.275,1366 0.201,1367 6.866,1368 5.03,1369 6.037,1370 0.178,1371 0.123,1372 6.037,1373 4.166,1374 4.849,1375 0.108,1376 0.076,1377 4.849,1378 3.424,1379 3.685,1380 0.07,1381 0.043,1382 3.685,1383 2.298,1384 0.451,1385 44.578,1386 0.296,1387 14.88,1388 0.913,1389 84,1390 184.299,1391 88.207,1392 181.447,1393 246.11,1394 168,1395 101,1396 180.061,1397 105.097,1398 183.972,1399 269.16,1400 174,1401 4.699}
{0 CHEMBL1403014,1 1.689,2 11.52,3 5.888,4 34.664,5 106.909,6 8.39,7 0.462,8 3.871,9 3.97,10 3.577,11 3.5,12 5.024,13 3.431,14 4.377,15 4.546,16 3.962,17 3.842,18 5.513,19 3.761,20 4.533,21 4.66,22 4.081,23 3.997,24 5.785,25 3.888,26 4.696,27 4.883,28 3.894,29 3.983,30 5.776,31 3.828,32 4.509,33 4.68,34 3.976,35 3.948,36 5.648,37 3.799,38 4.659,39 4.868,40 3.796,41 3.939,42 5.8,43 3.765,44 4.557,45 4.766,46 3.526,47 3.823,48 5.574,49 3.633,50 4.571,51 4.888,52 3.532,53 3.646,54 5.616,55 3.46,56 0.02,57 0.642,58 8.204,59 4.536,60 6.115,61 5.328,62 0.226,63 1.058,64 20.49,65 7.822,66 21.405,67 8.942,68 0.178,69 1.236,70 21.936,71 9.835,72 33.789,73 10.322,74 0.521,75 1.331,76 35.371,77 12.268,78 66.13,79 12.197,80 0.116,81 1.179,82 23.1,83 9.934,84 20.017,85 11.322,86 0.483,87 1.282,88 33.603,89 11.471,90 76.98,91 12.394,92 0.265,93 1.187,94 27.7,95 10.564,96 39.593,97 12.026,98 0.445,99 1.098,100 29.614,101 10.315,102 81.278,103 13.619,104 53,105 36,106 0.293,107 0.606,108 0.721,109 0.757,110 0.757,111 0.757,112 3.266,113 1.049,114 -5.56,115 -5.43,116 -5.07,120 42.2,121 2,125 2,126 1,143 6,144 3,145 3,158 1,160 1,174 8,176 1,177 3,185 10,189 7,197 11,201 5,209 5,214 8,222 4,226 1,227 3,235 8,240 1,247 8,251 1,260 8,264 3,271 4,274 953,275 15.999,276 15.999,277 15.999,278 15.999,279 15.999,280 14.172,281 15.326,282 9.278,283 16.514,284 12.746,285 12.746,286 12.746,287 12.746,288 12.746,289 9.908,290 11.958,291 4.391,292 13.636,293 3.803,294 2.007,295 1.345,296 1.134,297 1.134,298 1.134,299 3.922,307 1,308 585,309 3.873,313 192.339,320 1.901,321 28.21,324 0.75,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.89,332 54,333 288,334 4.439,335 4.458,336 6.476,337 4.055,338 3.079,339 4.124,340 3.325,341 10.017,342 3.023,343 4.027,344 3.966,345 5.969,346 3.649,347 2.704,348 3.616,349 2.334,350 8.357,351 2.591,352 3.949,353 3.593,354 5.692,355 3.534,356 2.605,357 3.293,358 1.133,359 7.26,360 2.425,361 3.758,362 3.157,363 5.409,364 3.4,365 2.473,366 2.96,367 0.656,368 7.127,369 2.206,370 3.414,371 2.886,372 4.89,373 2.983,374 2.09,375 2.701,376 0.132,377 5.696,378 1.879,379 3.232,380 2.566,381 4.879,382 2.879,383 1.879,384 2.481,386 5.225,387 1.836,388 2.852,389 2.147,390 4.295,391 2.432,392 1.461,393 1.904,395 3.958,396 1.404,397 2.5,398 2.074,399 3.712,400 2,401 1.122,402 1.5,404 2.66,405 1,406 2.34,407 1.954,408 3.414,409 1.987,410 1,411 1.26,413 2.275,414 0.958,415 1.85,416 1.334,417 3.158,418 1.444,419 0.581,420 0.694,422 1.353,423 0.482,424 1.642,425 1.021,426 2.805,427 1.221,428 0.316,429 0.381,431 0.745,432 0.278,433 1.096,434 1,435 2.653,436 0.676,437 -0.219,438 -0.269,440 -0.466,441 -0.186,442 1,443 0.27,444 2.287,445 0.653,446 -0.347,447 -0.445,449 -0.898,450 -0.347,451 0.645,452 0.097,453 2,454 0.071,455 -0.791,456 -1,458 -2,459 -0.66,460 0.5,461 -0.071,462 2,463 0.037,464 -1,465 -1,467 -2.024,468 -0.851,469 12.519,470 0.501,471 0.812,472 0.032,473 30.25,474 1.21,475 15.5,476 0.62,477 14.75,478 0.59,479 22.245,480 0.89,481 27.081,482 0.602,483 22.704,484 0.908,485 6.093,486 0.244,487 5.681,488 0.227,489 0.276,491 0.351,494 1,496 0.629,497 1.02,498 0.657,499 0.881,500 0.556,501 0.93,502 0.734,503 0.813,504 0.769,505 0.841,506 0.544,507 0.73,508 1.132,509 1.161,510 1.023,511 1.169,512 1.088,513 1.157,514 1.545,515 0.817,516 1.365,517 1.026,518 1.128,519 0.971,520 0.52,521 1.059,522 0.916,523 1.155,524 0.613,525 1.153,526 0.978,527 0.767,528 1.292,529 1.058,530 1.204,531 1.024,532 0.845,533 1.086,534 1.203,535 1.27,536 0.924,537 1.33,538 0.229,539 0.529,540 0.347,541 0.499,542 0.265,543 0.546,544 6.5,545 0.124,546 3.556,547 1.375,548 1.787,549 1.083,550 0.384,551 0.389,552 0.329,553 0.142,554 6870,555 23110,556 1.906,557 44.4,558 6,559 14,567 1.677,568 1.724,569 3.466,570 -0.751,575 75.984,576 1.689,577 3.485,578 4.147,579 4.358,580 4.358,581 4.358,582 2.973,583 3.974,584 4.611,585 3.648,586 1094.33,587 7.96,588 13643.5,593 247.133,594 1.575,595 4.531,596 0.25,597 0.01,598 0.099,599 0.037,600 0.058,601 0.034,602 0.014,603 0.019,604 0.015,605 0.007,606 0.542,607 0.33,608 0.88,609 1.257,610 122.46,611 -0.008,612 -0.092,613 0.041,614 -0.017,615 -0.053,616 -0.014,617 0.07,618 0.135,619 0.148,620 0.11,621 0.083,622 0.218,623 -0.08,624 -0.152,625 -0.079,626 -0.171,627 -0.062,628 -0.214,629 -0.287,630 0.082,631 -0.222,632 0.053,633 -0.191,635 0.061,636 -0.225,637 0.032,638 -0.163,639 0.067,640 -0.165,641 -0.081,642 0.066,643 -0.196,644 -0.02,645 -0.115,646 -0.045,647 -0.076,648 -0.2,649 -0.267,650 -0.303,651 -0.13,652 -0.335,653 0.372,654 0.213,655 0.477,656 0.344,657 0.395,658 0.501,659 1.951,660 5.461,661 0.48,662 25.494,663 1.006,664 1.117,665 4.331,666 18.762,667 0.706,668 3.296,669 3.611,670 3.784,671 3.912,672 4.143,673 4.094,674 4.007,675 4.078,676 4.078,677 3.97,678 6.681,679 0.655,680 377.54,681 3.296,682 4.828,683 5.645,684 6.5,685 7.34,686 8.195,687 9.044,688 9.901,689 10.754,690 11.613,691 2.2,698 1,709 6,714 6,716 12,721 1,733 1,737 1,738 45,739 14,740 2,741 26,743 46,744 19,745 12,746 6,747 6,748 1,752 2,753 2,759 2,768 14,769 5,772 2,778 1,779 1,782 2,787 1,789 20,790 4,792 6,793 2,797 1,803 1,804 2,823 2,855 2,856 1,857 2,859 4,861 1,862 25,869 1,872 1,873 1,875 1,885 1,886 4.4,889 1,891 1,893 14.5,894 9.51,895 5.528,896 2.479,898 2.158,899 1.326,900 0.94,901 6.852,902 8.768,903 3.555,904 4.127,905 4.6,906 5.04,907 5.573,908 5.606,909 5.701,910 5.844,911 5.985,912 6.075,913 0.875,914 37,915 9.238,917 3.776,918 7.933,919 17.318,921 13.432,924 2.433,925 60.833,929 235.422,930 202.988,931 3.124,933 36.145,934 14.96,935 77.412,936 125.577,937 271.567,938 18.084,939 34.443,940 4.024,941 56.857,942 30.278,943 36.472,944 17.731,945 267.642,946 45.192,947 235.422,948 128.701,949 51.105,950 77.412,952 250.382,953 36.145,956 21.674,957 107.027,959 77.412,960 250.382,961 39.269,962 202.988,965 235.422,966 66.496,967 94.425,969 96.297,970 235.422,971 54.229,972 202.988,973 0.591,974 0.333,975 0.15,976 0.09,977 15,978 9,979 0.13,980 6,982 1,983 3.614,984 189.767,986 12,987 104.096,989 1,990 1,993 19.737,994 8.68,995 5.447,997 54.229,998 9.746,1003 3.612,1006 492.64,1007 34,1013 12.461,1014 5.175,1017 0.388,1020 45.258,1021 50.249,1022 0.307,1023 0.635,1024 0.755,1025 0.794,1026 0.794,1027 0.794,1028 4.787,1029 1.122,1030 5.652,1031 3.958,1032 4.29,1033 4.812,1034 3.58,1035 6.425,1036 4.173,1037 6.005,1038 1,1039 7.209,1040 2.66,1041 4.007,1042 4.718,1043 1.969,1044 7.277,1045 3.846,1046 7.312,1047 0.581,1048 8.859,1049 2.275,1050 5.866,1051 6.958,1052 5.671,1053 10.3,1054 5.663,1055 8.648,1056 0.316,1057 10.56,1058 1.353,1059 6.312,1060 7.583,1061 3.907,1062 11.91,1063 6.072,1064 10.01,1065 -0.219,1066 12.292,1067 0.745,1068 7.703,1069 9.373,1070 7.975,1071 14.48,1072 7.439,1073 11.39,1074 -0.347,1075 14.045,1076 -0.466,1077 8.474,1078 10.336,1079 5.741,1080 16.434,1081 8.186,1082 12.783,1083 -0.791,1084 15.814,1085 -0.898,1086 9.682,1087 11.935,1088 10.338,1089 18.833,1090 9.379,1091 3.079,1092 -1,1093 17.595,1094 -2,1095 10.613,1096 13.082,1097 7.515,1098 20.958,1099 10.294,1100 2.704,1101 10.017,1102 19.387,1103 -2.024,1104 11.747,1105 14.588,1106 12.724,1107 23.29,1108 11.417,1109 2.605,1110 8.357,1111 21.187,1112 4.124,1113 12.759,1114 15.842,1115 9.256,1116 25.501,1117 12.418,1118 2.473,1119 7.26,1120 22.995,1121 3.616,1122 13.866,1123 17.299,1124 15.118,1125 27.808,1126 13.517,1127 2.09,1128 7.127,1129 24.808,1130 3.293,1131 14.921,1132 18.617,1133 10.978,1134 30.062,1135 14.562,1136 1.879,1137 5.696,1138 26.628,1139 2.96,1140 16.02,1141 20.048,1142 17.518,1143 32.361,1144 15.654,1145 1.461,1146 5.225,1147 28.452,1148 2.701,1149 17.099,1150 21.404,1151 12.69,1152 34.637,1153 16.724,1154 7017,1155 12994,1156 16.126,1157 31.762,1158 39.236,1159 44.098,1160 40.478,1161 38.609,1162 38.622,1163 49.828,1164 15.16,1165 109.344,1166 36.164,1167 5.312,1168 6.458,1169 5.89,1170 5.157,1171 5.079,1172 7.124,1173 6.65,1174 16.851,1175 5.023,1176 16.935,1177 1.509,1178 1.696,1179 1.557,1180 1.485,1181 1.485,1182 1.916,1183 0.583,1184 4.206,1185 1.391,1186 3.99,1187 4.005,1188 4.055,1189 3.935,1190 8.201,1191 3.927,1192 3.882,1193 3.904,1194 3.96,1195 3.838,1196 7.427,1197 3.82,1198 3.611,1199 3.676,1200 3.818,1201 3.461,1202 4.994,1203 3.424,1204 3.453,1205 3.477,1206 3.554,1207 3.345,1208 4.636,1209 3.31,1210 3.266,1211 3.35,1212 3.147,1213 3.125,1214 4.612,1215 3.101,1216 3.012,1217 3.056,1218 3.101,1219 2.943,1220 4.084,1221 2.885,1222 2.946,1223 3.009,1224 3.067,1225 2.87,1226 3.966,1227 2.768,1228 2.874,1229 2.975,1230 2.687,1231 2.735,1232 3.902,1233 2.715,1234 0.171,1235 0.171,1236 0.249,1237 0.156,1238 0.118,1239 4.439,1240 0.159,1241 4.458,1242 0.128,1243 6.476,1244 0.385,1245 4.055,1246 0.116,1247 3.079,1248 4.124,1249 3.325,1250 10.017,1251 3.023,1252 1.95,1253 1.936,1254 2.043,1255 2.032,1256 1.209,1257 2.038,1258 1.866,1259 1.846,1260 1.949,1261 1.943,1262 1.066,1263 1.956,1264 1.529,1265 1.47,1266 1.774,1267 1.784,1268 0.844,1269 1.794,1270 1.403,1271 1.373,1272 1.639,1273 1.578,1274 0.793,1275 1.591,1276 1.303,1277 1.226,1278 1.575,1279 1.507,1280 0.719,1281 1.557,1282 0.995,1283 0.946,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.854,1290 1.309,1291 1.193,1292 0.45,1293 1.254,1294 0.886,1295 0.821,1296 1.181,1297 1.068,1298 0.218,1299 1.107,1300 3.97,1302 5.283,1304 6.774,1306 8.346,1308 9.961,1310 7.421,1312 12.917,1315 0.292,1318 5.718,1319 1.388,1321 1.715,1326 29.477,1327 75.984,1328 156.811,1329 186.604,1330 196.114,1331 196.114,1332 196.114,1333 61.805,1334 6.611,1335 29.54,1336 86.93,1337 12,1338 12.165,1339 3.907,1340 3.17,1341 51.9,1342 99,1343 104,1344 0.256,1345 193.066,1346 341.29,1347 462.841,1348 5783,1349 2.2,1350 18.56,1351 0.742,1352 0.65,1353 18.543,1354 16.262,1355 11.774,1356 0.453,1357 0.35,1358 7.714,1359 10.658,1360 7.193,1361 6.076,1362 12.123,1363 9.09,1364 10.987,1365 0.305,1366 0.202,1367 11.314,1368 7.265,1369 8.563,1370 0.199,1371 0.116,1372 9.323,1373 4.981,1374 5.945,1375 0.121,1376 0.063,1377 6.594,1378 3.09,1379 5.027,1380 0.081,1381 0.035,1382 5.585,1383 2.175,1384 0.408,1385 81.074,1386 0.249,1387 24.641,1388 0.686,1389 124,1390 438.948,1391 172.761,1392 441.039,1393 573.8,1394 408,1395 141,1396 373.784,1397 181.502,1398 398.389,1399 573.74,1400 368,1401 6.796}
{0 CHEMBL1403050,1 1.406,2 8.6,3 2.703,4 7.308,5 88.898,6 6.178,7 0.238,8 3.914,9 4.058,10 3.369,11 3.432,12 4.769,13 3.33,14 4.526,15 4.759,16 3.727,17 3.851,18 5.256,19 3.706,20 4.791,21 5.042,22 3.616,23 3.996,24 5.454,25 3.798,26 4.954,27 5.263,28 3.62,29 4.027,30 5.533,31 3.813,32 4.899,33 5.178,34 3.641,35 4.046,36 5.56,37 3.828,38 4.961,39 5.261,40 3.516,41 4,42 5.618,43 3.753,44 4.845,45 5.176,46 3.305,47 3.787,48 5.523,49 3.527,50 4.506,51 4.803,52 3.114,53 3.539,54 5.267,55 3.279,56 0.068,57 0.685,58 13.215,59 5.032,60 7.275,61 7.06,62 0.198,63 1.126,64 24.641,65 8.093,66 14.394,67 11.611,68 0.279,69 1.371,70 33.575,71 10.702,72 18.981,73 15.136,74 0.311,75 1.431,76 33.518,77 11.482,78 21.072,79 16.901,80 0.3,81 1.404,82 34.75,83 12.134,84 22.31,85 16.731,86 0.282,87 1.391,88 36.018,89 12.153,90 26.537,91 17.108,92 0.283,93 1.145,94 31.481,95 10.337,96 32.59,97 14.351,98 0.232,99 0.845,100 25.283,101 8.265,102 27.344,103 10.73,104 25,105 28,106 0.247,107 0.491,108 0.769,109 0.827,110 0.849,111 0.849,112 3.057,113 1.218,114 -3.38,115 -3.36,116 -3.21,120 33.3,121 3,122 1,123 1,126 6,128 1,143 2,153 2,174 3,177 2,182 1,185 5,188 1,189 5,197 1,201 1,204 1,209 1,214 2,217 1,222 2,227 4,232 1,235 2,240 1,245 2,247 1,252 1,257 2,260 3,269 1,271 5,274 474,275 13.248,276 13.248,277 13.248,278 13.248,279 13.248,280 12.602,281 19.321,282 8.064,283 13.707,284 10.369,285 10.369,286 10.369,287 10.369,288 10.369,289 9.43,290 28.393,291 3.803,292 11.144,293 4.179,294 2.794,295 1.214,296 0.881,297 0.756,298 0.756,299 3.713,305 1,306 1,307 1,308 350,309 3.082,312 60.915,313 69.875,320 1.44,321 11.332,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 42,333 172,334 4.108,335 3.222,336 6.198,337 3.874,338 2.94,339 3.712,340 0.916,341 9.297,342 2.748,343 3.91,344 2.94,345 5.643,346 3.611,347 2.708,348 2.924,349 0.8,350 7.857,351 2.431,352 3.364,353 2.566,354 5.191,355 3.228,356 2.29,357 2.452,358 0.172,359 6.517,360 2.162,361 3.113,362 2.154,363 4.742,364 3.029,365 2.061,366 2.158,368 5.276,369 1.969,370 2.904,371 1.977,372 4.531,373 2.626,374 1.687,375 1.947,377 4.664,378 1.569,379 2.553,380 1.768,381 4.181,382 2.497,383 1.548,384 1.554,386 3.867,387 1.461,388 2.205,389 1.374,390 3.275,391 1.931,392 1,393 1.068,395 1.8,396 0.923,397 2,398 0.806,399 3.193,400 1.661,401 0.736,402 1,404 1.742,405 0.666,406 1.356,407 0.527,408 2.947,409 1.252,410 0.319,411 0.328,413 0.742,414 0.295,415 0.881,416 0.138,417 2.543,418 0.707,419 -0.196,420 -0.207,422 -0.445,423 -0.175,424 0.548,425 -0.161,426 2.271,427 0.449,428 -0.473,429 -0.48,431 -1.049,432 -0.433,433 0.403,434 -0.448,435 1.952,436 0.172,437 -0.772,438 -0.848,440 -1.881,441 -0.724,442 0.117,443 -0.616,444 1.62,446 -1,447 -1,449 -2,450 -0.898,452 -0.802,453 1.592,454 -0.015,455 -1,456 -1,458 -2.346,459 -0.983,461 -1,462 1.308,463 -0.102,464 -1,465 -1.097,467 -2.797,468 -1,469 9.967,470 0.498,471 0.506,472 0.025,473 16.25,474 0.813,475 4,476 0.2,477 12.25,478 0.613,479 23.459,480 1.173,481 24.233,482 0.505,483 8.077,484 0.404,485 2.734,486 0.137,487 6.846,488 0.342,489 0.184,491 0.281,496 1.016,497 1.536,498 0.953,499 1.185,500 1.059,501 1.216,502 1.319,503 1.063,504 0.96,505 0.872,506 0.858,507 0.958,508 1.058,509 1.294,510 1.405,511 1.349,512 0.762,513 1.248,514 0.751,515 0.882,516 0.711,517 0.768,518 0.53,519 0.89,520 0.899,521 1.025,522 1.056,523 1.058,524 0.855,525 1.059,526 0.994,527 1.051,528 0.959,529 1.032,530 1.127,531 1.048,532 1.204,533 0.757,534 0.821,535 0.762,536 1.293,537 0.797,538 1.388,539 0.947,540 1.178,541 1.104,542 1.849,543 0.99,544 5,545 0.073,546 1.556,547 1.382,548 0.933,549 0.653,550 0.5,551 0.165,552 0.182,553 0.105,554 3514,555 6955,556 1.966,557 58.3,558 6,559 15,562 1,563 3,564 1,565 2,567 1.619,568 1.818,569 3.128,570 -0.32,571 1,572 1,575 67.472,576 1.406,577 2.791,578 4.371,579 4.704,580 4.829,581 4.829,582 2.571,583 3.484,584 4.289,585 3.258,586 618.952,587 7.338,588 6435.48,590 1,592 1,593 268.078,594 1.485,595 4.237,596 0.238,597 0.012,598 0.056,599 0.055,600 0.037,601 0.026,602 0.025,603 0.01,604 0.015,605 0.01,606 0.485,607 0.83,608 1,609 1.345,610 89.024,611 0.004,612 -0.206,613 0.079,614 -0.009,615 -0.1,616 -0.011,617 -0.135,618 0.125,619 0.084,620 0.162,621 -0.046,622 0.087,623 -0.082,624 -0.157,625 -0.245,626 -0.237,627 -0.089,628 -0.205,629 0.062,630 0.066,631 0.07,632 0.071,633 0.051,634 0.05,635 0.024,636 -0.01,637 -0.065,638 -0.052,639 0.01,640 -0.057,641 -0.02,642 -0.121,643 -0.041,644 -0.095,645 -0.057,646 -0.087,647 -0.042,648 0.094,649 0.077,650 0.105,651 0.021,652 0.099,653 -0.055,654 -0.034,655 -0.039,656 -0.046,657 -0.087,658 -0.024,659 1.203,660 3.307,661 0.55,662 16.7,663 0.981,664 1.136,665 2.147,666 4.609,667 0.625,668 3.091,669 3.367,670 3.526,671 3.784,672 3.892,673 3.871,674 3.97,675 3.951,676 3.951,677 3.892,678 5.285,679 0.558,680 296.53,681 3.091,682 4.595,683 5.398,684 6.256,685 7.084,686 7.946,687 8.785,688 9.646,689 10.491,690 11.351,691 4.2,694 2,709 2,713 1,714 2,716 5,738 48,739 5,741 21,743 49,744 16,745 4,752 2,753 2,759 4,763 1,766 2,768 4,769 12,770 1,785 1,786 1,789 28,790 3,791 1,792 4,793 1,797 2,803 1,804 1,805 1,822 1,823 1,851 2,853 1,855 2,857 1,859 3,862 20,868 1,869 7,874 2,875 2,880 1,886 2.1,887 1,893 11,894 9.1,895 4.528,896 3.069,898 0.767,899 1.123,900 0.898,901 6.151,902 6.983,903 3.199,904 3.618,905 3.949,906 4.377,907 4.39,908 4.363,909 4.59,910 4.696,911 4.894,912 5.017,913 0.833,914 25,915 7.454,917 2.983,918 7.417,919 15.093,921 12.432,924 1.917,925 38.333,926 0.003,928 1,929 317.82,930 92.486,931 6.249,933 42.683,935 31.278,936 61.208,937 360.503,938 6.249,939 26.476,940 13.063,941 61.636,943 6.249,944 2.717,945 349.097,947 317.82,948 67.457,949 42.683,950 31.278,952 282.506,953 35.313,954 42.683,956 45.787,957 21.669,959 31.278,960 317.82,961 48.932,962 92.486,965 317.82,966 47.058,967 51.677,969 42.683,970 317.82,971 48.932,972 92.486,973 0.565,974 0.303,975 0.175,976 0.098,977 12,978 6,979 0.122,980 6,982 1,983 3.219,984 139.297,986 11,987 84.439,989 1,993 16.091,994 7.646,995 4.901,997 48.932,998 4.46,1002 1.903,1003 2.855,1005 42.683,1006 459.237,1007 23.5,1020 47.094,1021 54.524,1022 0.252,1023 0.5,1024 0.783,1025 0.842,1026 0.865,1027 0.865,1028 4.434,1029 0.736,1030 5.371,1031 1.8,1032 4.043,1033 4.297,1034 1.242,1035 6.111,1036 3.902,1037 5.556,1038 0.319,1039 6.882,1040 1.742,1041 3.611,1042 3.951,1043 0.57,1044 6.843,1045 3.386,1046 6.804,1047 -0.196,1048 8.486,1049 0.742,1050 5.565,1051 6.18,1052 0.883,1053 9.885,1054 5.275,1055 8.074,1056 -0.473,1057 10.142,1058 -0.445,1059 5.889,1060 6.657,1061 0.581,1062 11.413,1063 5.497,1064 9.376,1065 -0.772,1066 11.83,1067 -1.049,1068 7.339,1069 8.385,1070 0.68,1071 13.955,1072 6.894,1073 10.698,1074 -1,1075 13.542,1076 -1.881,1077 8.028,1078 9.272,1079 0.515,1080 15.847,1081 7.48,1082 12.035,1083 -1,1084 15.272,1085 -2,1086 9.259,1087 10.775,1088 0.541,1089 18.194,1090 8.657,1091 2.94,1092 -1,1093 17.016,1094 -2.346,1095 10.134,1096 11.873,1097 0.441,1098 20.258,1099 9.437,1100 2.708,1101 9.297,1102 18.771,1103 -2.797,1104 11.266,1105 13.272,1106 0.438,1107 22.526,1108 10.51,1109 2.29,1110 7.857,1111 20.535,1112 3.712,1113 12.234,1114 14.476,1115 0.373,1116 24.671,1117 11.393,1118 2.061,1119 6.517,1120 22.307,1121 2.924,1122 13.323,1123 15.827,1124 0.358,1125 26.908,1126 12.42,1127 1.687,1128 5.276,1129 24.086,1130 2.452,1131 14.337,1132 17.084,1133 0.314,1134 29.092,1135 13.358,1136 1.548,1137 4.664,1138 25.87,1139 2.158,1140 15.409,1141 18.413,1142 0.296,1143 31.319,1144 14.365,1145 1,1146 3.867,1147 27.659,1148 1.947,1149 16.447,1150 19.697,1151 0.264,1152 33.523,1153 15.332,1154 3632,1155 5181,1156 13.523,1157 30.012,1158 30.886,1159 30.705,1160 31.801,1161 30.62,1162 30.578,1163 34.286,1164 3.778,1165 83.524,1166 28.448,1167 5.108,1168 5.004,1169 5.961,1170 4.964,1171 4.94,1172 6.313,1173 1.605,1174 15.664,1175 4.637,1176 11.205,1177 1.471,1178 1.462,1179 1.514,1180 1.458,1181 1.456,1182 1.633,1183 0.18,1184 3.977,1185 1.355,1186 3.963,1187 4.013,1188 4.241,1189 3.953,1190 6.456,1191 3.878,1192 3.833,1193 3.864,1194 3.784,1195 3.714,1196 4.669,1197 3.708,1198 3.625,1199 3.696,1200 3.455,1201 3.484,1202 4.388,1203 3.466,1204 3.46,1205 3.528,1206 3.295,1207 3.262,1208 4.163,1209 3.256,1210 3.196,1211 3.289,1212 3.006,1213 3.01,1214 3.825,1215 2.994,1216 3.028,1217 3.117,1218 2.798,1219 2.813,1220 3.672,1221 2.795,1222 2.981,1223 3.082,1224 2.753,1225 2.733,1226 3.591,1227 2.724,1228 2.874,1229 3.009,1230 2.682,1231 2.618,1232 3.467,1233 2.57,1234 0.196,1235 0.153,1236 0.295,1237 0.184,1238 0.14,1239 4.108,1240 0.177,1241 3.222,1242 0.044,1243 6.198,1244 0.443,1245 3.874,1246 0.131,1247 2.94,1248 3.712,1249 0.916,1250 9.297,1251 2.748,1252 1.858,1253 1.795,1254 2.054,1255 2.059,1256 1.409,1257 2.063,1258 1.663,1259 1.601,1260 1.922,1261 1.84,1262 1.195,1263 1.874,1264 1.571,1265 1.532,1266 1.778,1267 1.721,1268 1.054,1269 1.74,1270 1.528,1271 1.496,1272 1.731,1273 1.67,1274 0.894,1275 1.713,1276 1.379,1277 1.318,1278 1.594,1279 1.542,1280 0.88,1281 1.588,1282 1.051,1283 0.963,1284 1.417,1285 1.306,1286 0.656,1287 1.343,1288 0.974,1289 0.876,1290 1.4,1291 1.263,1292 0.523,1293 1.308,1294 0.934,1295 0.804,1296 1.337,1297 1.239,1298 0.469,1299 1.293,1300 3.761,1302 5.043,1303 2.398,1304 6.494,1305 4.595,1306 8.031,1307 6.529,1308 9.62,1310 6.719,1314 9.307,1315 6.771,1320 1.208,1321 5.111,1326 26.793,1327 67.472,1328 133.982,1329 209.814,1330 225.814,1331 231.814,1332 231.814,1333 32.847,1334 6.217,1335 26.71,1336 54.95,1337 11,1338 11.904,1339 2.585,1340 1.807,1341 36.357,1342 64,1343 58,1344 0.291,1345 172.322,1346 293.76,1347 412.226,1348 3243,1350 14.535,1351 0.727,1352 0.691,1353 14.889,1354 13.826,1355 9.58,1356 0.456,1357 0.406,1358 7.696,1359 8.777,1360 7.287,1361 6.108,1362 9.988,1363 8.524,1364 8.637,1365 0.308,1366 0.274,1367 9.392,1368 7.675,1369 6.152,1370 0.186,1371 0.149,1372 6.807,1373 4.912,1374 5.289,1375 0.123,1376 0.092,1377 5.975,1378 3.956,1379 3.964,1380 0.083,1381 0.056,1382 4.391,1383 2.704,1384 0.45,1385 63.455,1386 0.272,1387 19.987,1388 0.816,1389 98,1390 208.3,1391 129.558,1392 222.119,1393 299.84,1394 210,1395 110,1396 192.835,1397 135.532,1398 214.348,1399 309.26,1400 200,1401 4.008}
{0 CHEMBL1403085,1 1.565,2 7.962,3 3.531,4 12.469,5 108.714,6 9.114,7 0.393,8 3.75,9 3.833,10 3.544,11 3.491,12 5.067,13 3.444,14 4.17,15 4.275,16 3.854,17 3.834,18 5.373,19 3.764,20 4.416,21 4.579,22 3.914,23 3.895,24 5.67,25 3.83,26 4.44,27 4.595,28 3.972,29 3.908,30 5.846,31 3.866,32 4.495,33 4.634,34 4.07,35 4.011,36 5.89,37 3.963,38 4.582,39 4.72,40 4.146,41 4.113,42 5.997,43 4.037,44 4.603,45 4.757,46 4.068,47 4.132,48 6.023,49 4.007,50 4.518,51 4.721,52 3.733,53 3.922,54 5.728,55 3.764,56 0.007,57 0.456,58 4.83,59 2.9,60 6.899,61 3.331,62 0.026,63 0.725,64 9.271,65 4.899,66 8.995,67 5.429,68 0.159,69 0.992,70 16.464,71 7.032,72 20.676,73 7.934,74 0.183,75 1.018,76 14.194,77 6.543,78 44.866,79 7.637,80 0.151,81 1.054,82 15.311,83 6.949,84 40.285,85 7.2,86 0.193,87 1.157,88 17.169,89 7.805,90 55.242,91 7.793,92 0.262,93 1.194,94 21.658,95 9.257,96 87.203,97 9.795,98 0.115,99 1.114,100 21.302,101 8.991,102 24.441,103 10.919,104 15,105 37,106 0.27,107 0.55,108 0.742,109 0.847,110 0.859,111 0.859,112 3.305,113 0.928,114 -3.19,115 -3.19,116 -3.06,120 53.8,136 4,137 1,138 1,139 2,143 7,144 1,152 1,153 1,158 1,159 2,174 10,177 6,185 12,188 1,189 5,197 6,200 3,201 8,209 7,214 10,222 7,227 8,235 18,239 2,240 3,247 19,252 8,260 10,264 6,271 2,274 1122,275 18.052,276 18.052,277 18.052,278 18.052,279 18.052,280 15.662,281 12.732,282 10.918,283 18.345,284 13.698,285 13.698,286 13.698,287 13.698,288 13.698,289 9.918,290 14.32,291 4.988,292 14.182,293 3.72,294 2.096,295 0.985,296 0.378,297 0.308,298 0.308,299 3.985,305 1,306 1,307 1,308 433,309 3.742,312 77.259,313 185.543,320 1.05,321 25.308,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 54.5,333 207,334 4.527,335 4.256,336 6.828,337 4.161,338 3.197,339 3.993,340 2.689,341 11.287,342 3.084,343 4.266,344 3.869,345 6.265,346 3.787,347 2.811,348 3.761,349 1.539,350 9.256,351 2.747,352 3.947,353 3.658,354 5.606,355 3.503,356 2.518,357 3.51,358 0.8,359 7.382,360 2.482,361 3.725,362 3.106,363 5.297,364 3.198,365 2.248,366 3.036,368 6.629,369 2.119,370 3.431,371 2.543,372 4.738,373 2.815,374 1.841,375 2.551,377 4.758,378 1.781,379 3.303,380 2.307,381 4.031,382 2.478,383 1.48,384 2.121,386 3.278,387 1.472,388 3,389 2.176,390 3.722,391 2.38,392 1.396,393 1.879,395 3.091,396 1.366,397 2.969,398 1.711,399 3.594,400 2.157,401 1.18,402 1.65,404 2.736,405 1.15,406 2.838,407 1.449,408 3.476,409 2,410 1,411 1.5,413 2.301,414 1,415 2.512,416 1.232,417 3.247,418 1.9,419 0.941,420 1.328,422 2.136,423 0.894,424 2.5,425 1.055,426 3.034,427 1.547,428 0.618,429 1.303,431 1.372,432 0.572,433 2.179,434 1,435 3,436 1.484,437 0.618,438 0.927,440 1.085,441 0.509,442 2.118,443 0.998,444 2.657,445 1.444,446 0.444,447 0.727,449 0.791,450 0.442,451 1.964,452 0.618,453 2.618,454 0.874,455 -0.084,456 -0.157,458 -0.136,459 -0.08,460 1.045,461 -0.119,462 2.35,463 0.587,464 -0.393,465 -0.57,467 -0.828,468 -0.383,469 12.867,470 0.495,471 0.431,472 0.017,473 39,474 1.5,475 23.5,476 0.904,477 15.5,478 0.596,479 17.239,480 0.663,481 24.333,482 0.624,483 29.607,484 1.139,485 7.822,486 0.301,487 4.919,488 0.189,489 0.088,491 0.264,496 0.577,497 0.939,498 0.667,499 0.788,500 0.445,501 0.76,502 0.721,503 1.071,504 0.954,505 1.03,506 0.507,507 0.976,508 0.819,509 1.069,510 0.918,511 1.044,512 0.637,513 0.953,514 1.108,515 0.903,516 0.668,517 0.835,518 0.962,519 0.849,520 1.511,521 0.981,522 0.901,523 0.862,524 1.299,525 0.838,526 1.593,527 0.896,528 1.081,529 0.916,530 1.413,531 0.924,532 0.98,533 0.919,534 1.391,535 1.175,536 0.946,537 1.118,538 0.472,539 1.237,540 1.22,541 1.353,542 0.641,543 1.321,544 3.5,545 0.025,546 2.667,547 1.715,548 1.333,549 1.063,550 0.639,551 0.312,552 0.187,553 0.107,554 6701,555 21782,556 2.059,557 33.3,559 11,560 2,567 1.703,568 1.95,569 2.973,570 -0.798,572 1,575 61.031,576 1.565,577 3.189,578 4.301,579 4.907,580 4.978,581 4.978,582 2.377,583 4.162,584 4.673,585 3.136,586 1019.32,587 8.165,588 12754.4,589 1,590 1,592 1,593 206.131,594 1.3,595 4.642,596 0.125,597 0.012,598 0.072,599 0.044,600 0.032,601 0.023,602 0.014,603 0.007,604 0.006,605 0.008,606 0.344,607 0.33,608 1,609 1.006,610 123.989,611 -0.005,612 -0.055,613 0.049,614 0.02,615 0.031,616 0.013,617 -0.041,618 -0.158,619 -0.089,620 -0.132,621 -0.035,622 -0.143,623 0.143,624 -0.097,625 0.022,626 -0.097,627 0.087,628 -0.005,629 0.138,630 0.052,631 0.122,632 0.023,633 0.104,634 0.057,635 -0.186,637 -0.019,638 0.043,639 -0.116,640 0.034,641 -0.266,642 0.087,643 -0.095,644 0.055,645 -0.155,646 -0.035,647 0.003,648 0.041,649 -0.209,650 -0.071,651 0.084,652 -0.136,653 0.074,654 -0.319,655 -0.102,656 -0.27,657 0.025,658 -0.219,659 1.837,660 6.108,661 0.654,662 19.592,663 1.003,664 1.095,665 1.965,666 3.859,667 0.767,668 3.367,669 3.638,670 3.932,671 4.174,672 4.331,673 4.369,674 4.454,675 4.489,676 4.454,677 4.344,678 5.323,679 0.733,680 355.44,681 3.367,682 4.875,683 5.72,684 6.583,685 7.451,686 8.325,687 9.201,688 10.082,689 10.962,690 11.845,691 7.7,694 1,700 2,709 8,713 1,714 2,716 11,721 1,738 39,739 18,740 1,741 28,743 41,744 21,745 10,746 1,747 5,748 9,752 3,753 3,767 2,768 19,772 5,778 1,780 5,782 4,786 1,789 13,790 4,792 5,793 1,797 3,803 1,804 1,822 1,823 2,833 2,845 6,846 1,851 1,855 3,857 1,862 26,875 1,877 2,880 1,882 2,884 2,886 2.6,889 1,893 13.333,894 7.267,895 6.056,896 2.218,898 2.932,899 1.434,900 0.989,901 5.469,902 9.69,903 3.773,904 4.259,905 4.876,906 5.401,907 5.784,908 6.064,909 6.424,910 6.771,911 7.057,912 7.332,913 1,914 39,915 9.544,917 4.011,918 7.955,919 17.745,921 14.065,924 2.455,925 63.833,929 153.024,930 203.793,931 65.243,933 25.145,935 31.278,936 172.515,937 178.169,938 65.243,940 9.047,941 111.888,942 68.995,943 71.614,944 24.901,945 160.76,947 153.024,948 237.758,949 25.145,950 31.278,952 153.024,953 25.145,956 65.243,957 129.097,958 43.418,959 31.278,960 153.024,961 90.388,962 203.793,965 153.024,966 49.654,967 124.06,968 33.203,969 87.264,970 153.024,971 90.388,972 203.793,973 0.559,974 0.346,975 0.196,976 0.1,977 16,978 7,979 0.098,980 4,982 1,983 3.649,984 219.605,986 17,987 114.211,989 1,993 17.459,994 8.144,995 3.845,997 90.388,998 14.872,1002 1.35,1003 1.44,1006 447.205,1007 42.5,1013 13.108,1015 8.594,1017 0.53,1020 39.127,1021 42.7,1022 0.296,1023 0.603,1024 0.814,1025 0.928,1026 0.942,1027 0.942,1028 4.996,1029 1.18,1030 5.673,1031 3.091,1032 4.317,1033 4.945,1034 3.052,1035 6.475,1036 4.255,1037 6.207,1038 1,1039 7.223,1040 2.736,1041 3.761,1042 4.407,1043 0.325,1044 7.409,1045 3.678,1046 7.5,1047 0.941,1048 8.884,1049 2.301,1050 5.883,1051 7.067,1052 4.765,1053 10.549,1054 5.762,1055 8.83,1056 0.618,1057 10.615,1058 2.136,1059 6.256,1060 7.472,1061 0.268,1062 12.363,1063 6.099,1064 10.193,1065 0.618,1066 12.392,1067 1.372,1068 7.764,1069 9.445,1070 6.665,1071 15.014,1072 7.582,1073 11.58,1074 0.444,1075 14.199,1076 1.085,1077 8.553,1078 10.298,1079 0.188,1080 17.168,1081 8.33,1082 12.986,1083 -0.084,1084 16.028,1085 0.791,1086 9.826,1087 11.962,1088 8.619,1089 19.664,1090 9.578,1091 3.197,1092 -0.393,1093 17.872,1094 -0.136,1095 10.806,1096 13.047,1097 0.125,1098 21.961,1099 10.516,1100 2.811,1101 11.287,1102 19.728,1103 -0.828,1104 11.99,1105 14.561,1106 10.59,1107 24.403,1108 11.671,1109 2.518,1110 9.256,1111 21.594,1112 3.993,1113 13.058,1114 15.77,1115 0.082,1116 26.764,1117 12.698,1118 2.248,1119 7.382,1120 23.467,1121 3.761,1122 14.211,1123 17.209,1124 12.566,1125 29.188,1126 13.818,1127 1.841,1128 6.629,1129 25.346,1130 3.51,1131 15.32,1132 18.486,1133 0.054,1134 31.58,1135 14.888,1136 1.48,1137 4.758,1138 27.23,1139 3.036,1140 16.466,1141 19.887,1142 14.544,1143 33.998,1144 15.998,1145 1.396,1146 3.278,1147 29.118,1148 2.551,1149 17.595,1150 21.202,1151 0.035,1152 36.404,1153 17.088,1154 6634,1155 12087,1156 18.781,1157 29.926,1158 44.057,1159 46.859,1160 42.275,1161 40.545,1162 40.584,1163 56.569,1164 10.058,1165 112.203,1166 39.236,1167 5.413,1168 6.256,1169 6.63,1170 5.23,1171 5.197,1172 6.993,1173 5.379,1174 18.805,1175 5.084,1176 10.98,1177 1.573,1178 1.674,1179 1.51,1180 1.448,1181 1.449,1182 2.02,1183 0.359,1184 4.007,1185 1.401,1186 4.001,1187 4.025,1188 4.232,1189 3.964,1190 7.427,1191 3.934,1192 3.849,1193 3.88,1194 3.909,1195 3.844,1196 6.856,1197 3.794,1198 3.828,1199 3.837,1200 3.789,1201 3.769,1202 6.782,1203 3.767,1204 3.472,1205 3.511,1206 3.452,1207 3.358,1208 4.794,1209 3.372,1210 3.383,1211 3.411,1212 3.336,1213 3.29,1214 4.665,1215 3.288,1216 2.912,1217 2.981,1218 2.915,1219 2.759,1220 4.624,1221 2.763,1222 2.905,1223 2.945,1224 2.827,1225 2.735,1226 4.086,1227 2.729,1228 2.876,1229 2.926,1230 2.736,1231 2.732,1232 3.816,1233 2.715,1234 0.162,1235 0.152,1236 0.244,1237 0.149,1238 0.114,1239 4.527,1240 0.143,1241 4.256,1242 0.096,1243 6.828,1244 0.403,1245 4.161,1246 0.11,1247 3.197,1248 3.993,1249 2.689,1250 11.287,1251 3.084,1252 1.941,1253 1.916,1254 2.044,1255 2.032,1256 1.129,1257 2.034,1258 1.836,1259 1.805,1260 1.937,1261 1.934,1262 1.005,1263 1.94,1264 1.579,1265 1.572,1266 1.686,1267 1.679,1268 0.764,1269 1.679,1270 1.424,1271 1.397,1272 1.518,1273 1.55,1274 0.636,1275 1.546,1276 1.406,1277 1.376,1278 1.479,1279 1.501,1280 0.461,1281 1.526,1282 1.186,1283 1.171,1284 1.196,1285 1.23,1286 0.401,1287 1.293,1288 0.887,1289 0.823,1290 1.181,1291 1.07,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.151,1297 1.062,1298 0.157,1299 1.103,1300 4.043,1302 5.323,1303 2.398,1304 6.812,1305 4.443,1306 8.396,1307 6.293,1308 10.03,1321 1.594,1324 18.546,1325 3.799,1326 28.6,1327 61.031,1328 124.373,1329 167.724,1330 191.376,1331 194.131,1332 194.131,1333 51.112,1334 6.758,1335 69.58,1336 97.82,1337 17,1338 12.38,1339 4.248,1340 3.954,1341 43.651,1342 77,1343 86,1344 0.262,1345 184.556,1346 336.32,1347 442.076,1348 6245,1350 18.355,1351 0.706,1352 0.557,1353 18.709,1354 14.48,1355 12.741,1356 0.455,1357 0.309,1358 7.803,1359 12.01,1360 7.539,1361 6.296,1362 13.195,1363 8.658,1364 10.496,1365 0.284,1366 0.169,1367 11.079,1368 6.249,1369 9.228,1370 0.185,1371 0.091,1372 9.928,1373 4.548,1374 7.619,1375 0.119,1376 0.049,1377 8.258,1378 3.155,1379 5.618,1380 0.075,1381 0.024,1382 5.934,1383 1.833,1384 0.392,1385 82.807,1386 0.231,1387 24.435,1388 0.787,1389 130,1390 397.531,1391 158.521,1392 422.802,1393 568.39,1394 392,1395 152,1396 392.727,1397 178.138,1398 419.616,1399 603.81,1400 394,1401 5.393}
{0 CHEMBL1403329,1 1.961,2 8.667,3 1.379,4 1.902,5 90.82,6 9.221,7 0.577,8 3.804,9 3.906,10 3.577,11 3.263,12 5.103,13 3.273,14 4.278,15 4.43,16 3.947,17 3.64,18 5.605,19 3.635,20 4.417,21 4.597,22 4.013,23 3.756,24 5.556,25 3.694,26 4.505,27 4.675,28 4.074,29 3.702,30 5.871,31 3.688,32 4.442,33 4.603,34 3.941,35 3.61,36 5.874,37 3.631,38 4.399,39 4.551,40 3.916,41 3.633,42 5.677,43 3.619,44 4.457,45 4.643,46 3.742,47 3.517,48 5.711,49 3.523,50 4.355,51 4.536,52 3.534,53 3.235,54 5.907,55 3.251,56 0.302,57 0.632,58 5.89,59 3.097,60 16.263,61 3.374,62 0.511,63 0.963,64 13.278,65 4.874,66 59.403,67 5.633,68 0.522,69 1.06,70 18.645,71 6.893,72 46.029,73 7.796,74 0.742,75 1.055,76 24.717,77 6.651,78 56.369,79 7.483,80 0.854,81 0.944,82 17.594,83 5.491,84 85.673,85 6.29,86 0.605,87 0.963,88 17.127,89 6.039,90 50.515,91 6.439,92 0.742,93 0.895,94 18.785,95 5.438,96 68.253,97 6.096,98 1.013,99 0.696,100 18.585,101 3.976,102 107.944,103 4.112,104 24,105 36,106 0.348,107 0.739,108 0.863,109 0.873,110 0.873,111 0.873,112 3.229,113 0.908,114 -2.51,115 -2.54,116 -2.48,120 34.2,122 1,125 1,126 2,143 1,145 3,146 1,147 2,152 1,163 1,167 4,176 3,177 2,182 3,185 1,188 1,189 3,192 1,200 4,201 8,204 3,205 1,206 1,209 1,213 6,214 2,217 2,226 4,227 5,230 2,232 1,235 1,239 2,240 2,243 1,251 4,252 2,255 3,257 1,267 2,274 768,275 16.267,276 16.267,277 16.267,278 16.267,279 16.267,280 14.139,281 16.932,282 9.793,283 16.832,284 12.809,285 12.809,286 12.809,287 12.809,288 12.809,289 9.616,290 21.036,291 4.574,292 13.763,293 3.287,294 1.086,295 0.388,296 0.336,297 0.336,298 0.336,299 3.906,305 1,306 1,307 1,308 438,309 3.391,312 112.827,313 62.035,316 95.196,320 1.278,321 32.263,324 1,325 0.83,326 1,327 0.6,329 0.83,330 1,331 0.75,332 55,333 208,334 4.724,335 4.588,336 6.945,337 4.242,338 3.282,339 4.689,340 2.95,341 11.728,342 3.152,343 4.211,344 3.833,345 6.188,346 3.717,347 2.84,348 3.833,349 2.612,350 9.067,351 2.494,352 4.021,353 3.313,354 5.988,355 3.499,356 2.551,357 3.645,358 0.4,359 8.358,360 2.403,361 3.593,362 2.76,363 5.374,364 3.143,365 2.197,366 3.005,368 6.693,369 2.071,370 3.326,371 2.456,372 4.695,373 2.753,374 1.815,375 2.614,377 4.64,378 1.692,379 2.72,380 2.052,381 4.152,382 2.521,383 1.557,384 1.765,386 3.501,387 1.495,388 2.641,389 1.85,390 3.837,391 2.175,392 1.289,393 1.68,395 3.132,396 1.133,397 2.565,398 1.434,399 3.58,400 2.105,401 1.132,402 1.582,404 2.6,405 1.095,406 2.553,407 1.198,408 3.452,409 2.039,410 1.104,411 1.573,413 2.391,414 1.027,415 2.188,416 1.105,417 3.406,418 1.738,419 0.807,420 1.065,422 1.979,423 0.746,424 1.806,425 1.03,426 3.081,427 1.541,428 0.628,429 0.729,431 1.202,432 0.568,433 1.436,434 1,435 2.86,436 0.987,437 0.06,438 0.08,440 0.159,441 0.054,442 1,443 0.501,444 2.502,445 0.713,446 -0.18,447 -0.201,449 -0.354,450 -0.159,451 0.992,452 0.271,453 2.387,454 0.381,455 -0.525,456 -0.626,458 -1.151,459 -0.469,460 0.72,461 0.147,462 1.85,463 0.087,464 -0.853,465 -0.99,467 -1.963,468 -0.776,469 11.067,470 0.461,471 0.559,472 0.023,473 32.75,474 1.365,475 16,476 0.667,477 16.75,478 0.698,479 17.38,480 0.724,481 26.733,482 0.704,483 24.291,484 1.012,485 6.521,486 0.272,487 5.092,488 0.212,489 0.136,491 0.343,496 0.583,497 1.285,498 0.667,499 0.906,500 0.607,501 0.879,502 0.745,503 1.143,504 0.746,505 0.91,506 0.534,507 0.813,508 0.71,509 1.141,510 0.917,511 1.07,512 0.625,513 0.908,514 0.777,515 1.172,516 1.213,517 1.347,518 0.781,519 0.978,520 0.953,521 0.916,522 0.828,523 0.848,524 1.147,525 0.853,526 0.897,527 1.19,528 1.07,529 1.309,530 1.007,531 1.202,532 1.292,533 1.096,534 1.096,535 1.048,536 1.172,537 1.089,538 1.537,539 0.852,540 1.409,541 0.943,542 1.252,543 1.154,544 4,545 0.037,546 2.667,547 1.812,548 1.426,549 0.993,550 0.569,551 0.427,552 0.224,553 0.119,554 5534,555 20994,556 2.04,557 36.8,559 8,560 1,561 1,562 2,565 2,567 1.677,568 1.895,569 3.074,570 0.502,571 1,572 1,574 1,575 74.503,576 1.961,577 4.162,578 4.86,579 4.912,580 4.912,581 4.912,582 2.507,583 4.418,584 4.55,585 3.241,586 894.516,587 7.902,588 10335.4,589 1,590 1,593 199.421,594 1.459,595 4.507,596 0.154,597 0.007,598 0.074,599 0.05,600 0.038,601 0.028,602 0.017,603 0.015,604 0.011,605 0.008,606 0.402,607 0.33,608 1,609 1.494,610 112.02,611 0.16,612 -0.06,613 0.055,614 0.089,615 -0.01,616 0.007,617 0.006,618 -0.009,619 0.139,620 0.118,621 0.14,622 0.142,623 -0.007,624 -0.061,625 0.19,626 0.11,627 -0.005,628 0.153,629 0.134,630 -0.093,631 0.014,632 -0.151,633 0.09,634 0.016,635 0.108,636 0.077,637 0.044,638 0.064,639 0.005,640 0.066,641 -0.013,642 -0.111,643 -0.114,644 -0.262,645 -0.131,646 -0.249,647 -0.259,648 -0.138,649 -0.196,650 -0.164,651 -0.205,652 -0.165,653 -0.173,654 0.061,655 -0.429,656 -0.111,657 0.065,658 -0.329,659 2.525,660 4.432,661 0.583,662 20.25,663 1.04,664 1.142,665 1.283,666 1.647,667 0.672,668 3.296,669 3.611,670 3.912,671 4.22,672 4.369,673 4.543,674 4.673,675 4.779,676 4.754,677 4.635,678 5.346,679 0.665,680 350.4,681 3.296,682 4.828,683 5.687,684 6.578,685 7.465,686 8.368,687 9.266,688 10.176,689 11.079,690 11.992,691 15.8,696 1,699 1,701 3,702 1,708 2,709 3,710 3,712 1,714 4,715 1,716 15,729 1,731 1,738 38,739 17,740 1,741 26,743 40,744 13,745 9,746 5,747 1,752 3,753 4,759 1,766 1,768 9,769 4,772 2,775 1,778 2,785 1,786 1,789 14,790 8,791 2,792 11,793 1,794 1,797 6,803 0.667,804 4,805 1,822 2,823 1,826 1,853 1,855 2,856 1,857 1,859 1,862 24,868 1,869 3,871 1,873 1,886 10.5,887 1,891 1,892 2,893 12.667,894 7.117,895 5.417,896 2.115,898 2.886,899 1.413,900 0.934,901 5.109,902 9.88,903 3.597,904 4.241,905 4.862,906 5.526,907 5.963,908 6.416,909 6.838,910 7.234,911 7.441,912 7.628,913 0.833,914 36,915 8.815,917 3.766,918 8.139,919 16.141,921 12.81,924 2.639,925 63.333,929 141.253,930 84.873,931 81.559,933 103.391,935 32.22,936 52.653,937 244.644,938 81.559,939 14.066,940 4.64,941 61.207,942 85.761,943 32.953,944 11.771,945 149.931,946 50.747,947 141.253,948 134.212,949 103.391,950 32.22,952 117.711,953 33.503,954 93.43,956 20.568,957 33.984,958 79.66,959 32.22,960 141.253,961 184.95,962 84.873,965 141.253,966 48.905,967 43.537,968 18.011,969 159.37,970 141.253,971 184.95,972 84.873,973 0.571,974 0.338,975 0.192,976 0.098,977 17,978 8,979 0.175,980 7,981 1,982 1.143,983 3.505,984 197.529,985 0.143,986 14,987 108.039,989 1,993 16.856,994 7.275,995 3.445,996 0.383,997 177.381,998 5.083,999 11.701,1001 4.714,1003 1.439,1004 1.824,1005 60.694,1006 411.076,1007 35.5,1010 -0.525,1013 22.865,1020 39.531,1021 43.408,1022 0.374,1023 0.793,1024 0.926,1025 0.936,1026 0.936,1027 0.936,1028 4.818,1029 1.132,1030 5.673,1031 3.132,1032 4.29,1033 4.927,1034 3.399,1035 6.521,1036 4.153,1037 6.044,1038 1.104,1039 7.252,1040 2.6,1041 3.892,1042 4.89,1043 2.361,1044 7.522,1045 3.688,1046 7.374,1047 0.807,1048 8.939,1049 2.391,1050 5.9,1051 7.237,1052 5.372,1053 10.673,1054 5.636,1055 8.749,1056 0.628,1057 10.692,1058 1.979,1059 6.382,1060 8.086,1061 4.506,1062 12.537,1063 6.059,1064 10.161,1065 0.06,1066 12.487,1067 1.202,1068 7.84,1069 9.888,1070 7.439,1071 15.204,1072 7.469,1073 11.598,1074 -0.18,1075 14.31,1076 0.159,1077 8.708,1078 11.117,1079 6.556,1080 17.409,1081 8.29,1082 13.055,1083 -0.525,1084 16.154,1085 -0.354,1086 9.967,1087 12.732,1088 9.539,1089 19.925,1090 9.51,1091 3.282,1092 -0.853,1093 18.012,1094 -1.151,1095 11.004,1096 14.127,1097 8.548,1098 22.273,1099 10.509,1100 2.84,1101 11.728,1102 19.882,1103 -1.963,1104 12.196,1105 15.68,1106 11.658,1107 24.744,1108 11.666,1109 2.551,1110 9.067,1111 21.761,1112 4.689,1113 13.307,1114 17.15,1115 10.509,1116 27.153,1117 12.743,1118 2.197,1119 8.358,1120 23.647,1121 3.833,1122 14.48,1123 18.686,1124 13.789,1125 29.612,1126 13.884,1127 1.815,1128 6.693,1129 25.54,1130 3.645,1131 15.624,1132 20.191,1133 12.452,1134 32.049,1135 14.997,1136 1.557,1137 4.64,1138 27.438,1139 3.005,1140 16.794,1141 21.724,1142 15.928,1143 34.506,1144 16.135,1145 1.289,1146 3.501,1147 29.341,1148 2.614,1149 17.956,1150 23.247,1151 14.386,1152 36.955,1153 17.265,1154 5546,1155 10981,1156 17.107,1157 25.546,1158 38.798,1159 41.88,1160 40.652,1161 38.581,1162 38.525,1163 52.524,1164 11.925,1165 110.901,1166 35.857,1167 5.576,1168 6.588,1169 6.854,1170 5.42,1171 5.282,1172 7.689,1173 5.9,1174 19.29,1175 5.152,1176 12.355,1177 1.492,1178 1.611,1179 1.564,1180 1.484,1181 1.482,1182 2.02,1183 0.459,1184 4.265,1185 1.379,1186 4.113,1187 4.136,1188 4.193,1189 3.982,1190 7.815,1191 3.991,1192 3.893,1193 3.955,1194 3.932,1195 3.697,1196 6.999,1197 3.717,1198 3.644,1199 3.71,1200 3.592,1201 3.448,1202 6.456,1203 3.446,1204 3.56,1205 3.579,1206 3.487,1207 3.123,1208 5.381,1209 3.199,1210 3.286,1211 3.331,1212 3.351,1213 3.035,1214 4.922,1215 3.061,1216 3.039,1217 3.148,1218 3.087,1219 2.794,1220 4.486,1221 2.774,1222 3.006,1223 3.067,1224 2.785,1225 2.732,1226 4.014,1227 2.747,1228 2.68,1229 2.709,1230 2.701,1231 2.531,1232 3.869,1233 2.496,1234 0.182,1235 0.176,1236 0.267,1237 0.163,1238 0.126,1239 4.724,1240 0.18,1241 4.588,1242 0.113,1243 6.945,1244 0.451,1245 4.242,1246 0.121,1247 3.282,1248 4.689,1249 2.95,1250 11.728,1251 3.152,1252 1.934,1253 1.917,1254 1.971,1255 2.095,1256 1.207,1257 2.05,1258 1.602,1259 1.538,1260 1.837,1261 1.828,1262 1.098,1263 1.834,1264 1.555,1265 1.486,1266 1.759,1267 1.808,1268 0.844,1269 1.798,1270 1.319,1271 1.285,1272 1.449,1273 1.649,1274 0.496,1275 1.561,1276 1.185,1277 1.142,1278 1.346,1279 1.484,1280 0.428,1281 1.466,1282 1.055,1283 0.983,1284 1.229,1285 1.435,1286 0.264,1287 1.371,1288 0.837,1289 0.808,1290 1.001,1291 1.365,1292 0.114,1293 1.248,1294 0.773,1295 0.718,1296 0.975,1297 1.03,1299 1.062,1300 3.97,1302 5.283,1303 3.045,1304 6.788,1305 5.283,1306 8.4,1307 7.273,1308 10.078,1310 1.847,1314 8.891,1315 0.845,1317 2.96,1319 1.306,1326 25.282,1327 74.503,1328 158.137,1329 184.666,1330 186.666,1331 186.666,1332 186.666,1333 49.034,1334 6.995,1335 134.82,1336 160.12,1337 16,1338 12.507,1339 4.17,1340 3.392,1341 38.904,1342 77,1343 91,1344 0.259,1345 160.681,1346 264.87,1347 383.821,1348 8683,1350 17.104,1351 0.713,1352 0.562,1353 17.458,1354 13.486,1355 11.613,1356 0.447,1357 0.303,1358 6.938,1359 10.349,1360 6.763,1361 5.613,1362 12.022,1363 7.867,1364 10.236,1365 0.284,1366 0.165,1367 10.878,1368 5.925,1369 8.467,1370 0.173,1371 0.09,1372 9.308,1373 4.395,1374 7.389,1375 0.11,1376 0.046,1377 8.278,1378 3.072,1379 5.333,1380 0.068,1381 0.026,1382 6.256,1383 2.056,1384 0.39,1385 79.845,1386 0.242,1387 22.966,1388 0.758,1389 124,1390 492.775,1391 170.305,1392 483.013,1393 644.74,1394 446,1395 147,1396 469.368,1397 191.734,1398 474.701,1399 686.74,1400 442,1401 4.928}
{0 CHEMBL1403869,1 1.743,2 6.474,3 2.011,4 4.043,5 72.544,6 8.729,7 0.25,8 3.57,9 3.65,10 3.318,11 3.152,12 4.784,13 3.12,14 4.093,15 4.235,16 3.755,17 3.509,18 5.371,19 3.463,20 4.179,21 4.297,22 3.793,23 3.574,24 5.501,25 3.529,26 4.233,27 4.308,28 3.958,29 3.6,30 5.766,31 3.56,32 4.281,33 4.432,34 3.636,35 3.492,36 5.618,37 3.491,38 4.26,39 4.373,40 3.57,41 3.444,42 5.93,43 3.402,44 4.281,45 4.495,46 2.662,47 3.261,48 5.418,49 3.061,50 3.943,51 4.282,52 2.056,53 2.732,54 4.828,55 2.468,56 0.083,57 0.436,58 5.277,59 3.236,60 8.384,61 3.418,62 0.39,63 0.709,64 13.12,65 5.353,66 29.111,67 6.02,68 0.34,69 0.759,70 16.63,71 6.415,72 42.053,73 6.028,74 0.469,75 0.792,76 18.653,77 6.865,78 62.608,79 6.094,80 0.491,81 0.771,82 17.2,83 5.912,84 64.304,85 5.889,86 0.681,87 0.733,88 14.952,89 6.028,90 96.305,91 6.169,92 0.576,93 0.734,94 19.973,95 6.559,96 90.28,97 7.21,98 0.339,99 0.494,100 16.351,101 4.916,102 51.589,103 7.087,104 40,105 29,106 0.329,107 0.643,108 0.764,109 0.8,110 0.8,111 0.8,112 3.012,113 0.993,114 -3.35,115 -3.34,116 -3.19,120 40.6,121 3,126 1,136 2,144 2,153 1,154 1,159 3,174 3,176 3,177 9,185 5,189 5,197 3,200 3,201 11,209 5,214 4,222 3,226 4,227 9,235 6,247 1,252 2,260 2,274 420,275 12.336,276 12.336,277 12.336,278 12.336,279 12.336,280 11.176,281 17.381,282 7.093,283 12.764,284 9.752,285 9.752,286 9.752,287 9.752,288 9.752,289 7.754,290 22.647,291 3.208,292 10.318,293 3.257,294 1.588,295 0.946,296 0.758,297 0.758,298 0.758,299 3.653,305 1,306 1,307 1,308 248,309 2.915,312 102.779,320 1.025,321 31.796,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42.5,333 123,334 4.65,335 3.908,336 7.051,337 4.28,338 3.334,339 4.333,340 1.674,341 12.065,342 3.154,343 4.185,344 3.686,345 6.444,346 3.867,347 2.884,348 3.519,349 1.349,350 9.717,351 2.823,352 3.619,353 3.205,354 5.514,355 3.227,356 2.282,357 2.879,358 0.8,359 6.715,360 2.132,361 3.214,362 3.031,363 5.029,364 2.795,365 1.803,366 2.358,368 5.383,369 1.822,370 3.191,371 2.278,372 4.732,373 2.739,374 1.732,375 2.303,377 4.726,378 1.657,379 2.679,380 1.822,381 4.302,382 2.272,383 1.384,384 1.704,386 3.598,387 1.206,388 2.443,389 1.685,390 3.805,391 1.879,392 0.934,393 1.197,395 2.281,396 0.865,397 2.079,398 1.142,399 3.076,400 1.749,401 0.777,402 0.967,404 1.425,405 0.743,406 1.487,407 0.992,408 2.596,409 0.944,410 -0.109,411 -0.141,413 -0.242,414 -0.111,415 0.971,416 0.41,417 2.355,418 0.659,419 -0.298,420 -0.406,422 -0.672,423 -0.279,424 0.659,425 0.112,426 2,427 0.39,428 -0.604,429 -0.722,431 -0.979,432 -0.59,433 0.461,434 -0.046,435 2,436 0.099,437 -1,438 -1.25,440 -2.414,441 -0.92,442 0.315,443 -0.551,444 1.697,445 -0.056,446 -1,447 -1.303,449 -2.597,450 -1.09,451 -0.167,452 -0.853,453 1.592,454 -0.381,455 -1.385,456 -1.705,458 -3.397,459 -1.383,460 -0.271,461 -1.095,462 1.274,463 -0.594,464 -1.562,465 -1.848,467 -4.122,468 -1.43,469 9.067,470 0.477,471 0.618,472 0.033,473 22.5,474 1.184,475 10.5,476 0.553,477 12,478 0.632,479 16.083,480 0.846,481 20.933,482 0.654,483 15.906,484 0.837,485 4.457,486 0.235,487 4.512,488 0.237,489 0.276,491 0.43,496 0.648,497 1.267,498 0.683,499 0.999,500 0.542,501 0.941,502 0.595,503 0.92,504 0.635,505 0.764,506 0.509,507 0.678,508 1.181,509 1.055,510 1.175,511 1.089,512 1.017,513 0.828,514 0.957,515 1.394,516 1.293,517 1.608,518 1.129,519 1.208,520 1.462,521 0.812,522 0.97,523 0.798,524 1.314,525 0.769,526 1.008,527 1.222,528 1.126,529 1.212,530 0.859,531 1.321,532 1.347,533 1.055,534 1.473,535 1.156,536 1.503,537 1.47,538 0.525,539 0.651,540 0.535,541 0.605,542 0.664,543 0.817,544 4,546 2.889,547 2.514,548 1.22,549 1.16,550 0.4,551 0.103,552 0.031,554 2478,555 8995,556 1.906,557 40.6,558 3,559 4,563 3,564 3,567 1.614,568 1.701,569 2.678,570 -0.672,572 1,573 1,574 1,575 55.789,576 1.743,577 3.412,578 4.054,579 4.242,580 4.242,581 4.242,582 2.149,583 3.827,584 4.218,585 2.809,586 480.42,587 7.242,588 4685.44,589 1,590 1,592 1,593 160,594 1.557,595 4.121,596 0.2,598 0.1,599 0.084,600 0.041,601 0.041,602 0.017,603 0.015,604 0.008,606 0.505,607 0.5,608 1,609 1.419,610 79.805,611 -0.034,612 -0.174,613 0.059,614 -0.028,615 -0.049,616 -0.021,617 0.221,618 0.136,619 0.306,620 0.237,621 0.112,622 0.282,623 -0.194,624 0.022,625 -0.02,626 0.063,627 -0.091,628 0.127,629 0.128,630 -0.297,631 -0.032,632 -0.369,633 0.023,634 -0.276,635 -0.301,636 0.182,637 -0.099,638 0.085,639 -0.189,640 0.125,641 0.195,642 -0.269,643 -0.286,644 -0.317,645 0.306,646 -0.444,647 -0.334,648 -0.164,649 -0.536,650 -0.258,651 -0.344,652 -0.493,653 0.135,654 0.108,655 0.355,656 0.195,657 0.071,658 0.326,659 2.174,660 4.984,661 0.526,662 11.679,663 1.025,664 1.117,665 2.123,666 4.506,667 0.689,668 3.045,669 3.401,670 3.714,671 4.007,672 4.078,673 4.143,674 4.043,675 3.829,676 3.664,677 3.219,678 4.198,679 0.663,680 279.34,681 3.045,682 4.595,683 5.468,684 6.378,685 7.279,686 8.198,687 9.107,688 10.029,689 10.94,690 11.863,691 3.1,698 1,713 1,714 4,716 5,726 1,738 32,739 9,741 20,743 33,744 13,745 4,748 5,752 2,753 2,759 3,768 9,769 4,772 4,778 3,780 2,782 3,785 1,786 1,789 13,790 5,792 6,793 1,797 1,800 1,803 1,804 4,822 2,845 2,855 2,857 1,859 3,862 19,869 1,872 1,875 1,880 1,886 12.5,889 3,891 1,893 11.167,894 6.95,895 4.278,896 2.011,898 1.61,899 1.261,900 0.934,901 3.855,902 7.771,903 3.314,904 3.876,905 4.447,906 4.994,907 5.281,908 5.515,909 5.664,910 5.631,911 5.823,912 5.619,913 1,914 30,915 7.071,917 3.035,918 8.211,919 12.888,921 10.184,924 2.711,925 51.5,929 153.024,930 106.558,931 3.124,933 86.435,935 31.278,936 75.28,937 239.459,938 3.124,939 26.476,940 7.717,941 18.952,942 92.035,943 18.301,944 1.358,945 184.302,947 153.024,948 78.405,949 86.435,950 31.278,952 117.711,953 121.748,956 35.122,957 24.33,958 18.952,959 31.278,960 153.024,961 89.559,962 106.558,965 153.024,966 61.13,967 48.552,969 86.435,970 153.024,971 89.559,972 106.558,973 0.588,974 0.365,975 0.206,976 0.103,977 14,978 8,979 0.121,980 4,982 1,983 2.89,984 141.14,986 10,987 74.711,989 1,993 13.94,994 5.254,995 2.347,997 89.559,1002 1.243,1003 2.264,1006 349.141,1007 26.5,1013 35.407,1015 2.392,1017 -1.375,1020 32.789,1021 35.747,1022 0.349,1023 0.682,1024 0.811,1025 0.848,1026 0.848,1027 0.848,1028 4.577,1029 0.777,1030 5.501,1031 2.281,1032 4.078,1033 4.559,1034 2.434,1035 6.402,1036 3.982,1037 5.811,1038 -0.109,1039 7.128,1040 1.425,1041 3.892,1042 4.575,1043 0.325,1044 7.509,1045 3.786,1046 7.147,1047 -0.298,1048 8.859,1049 -0.242,1050 5.753,1051 6.738,1052 3.15,1053 10.671,1054 5.566,1055 8.522,1056 -0.604,1057 10.647,1058 -0.672,1059 6.382,1060 7.575,1061 0.931,1062 12.615,1063 6.17,1064 9.931,1065 -1,1066 12.472,1067 -0.979,1068 7.778,1069 9.268,1070 4.009,1071 15.315,1072 7.5,1073 11.365,1074 -1,1075 14.323,1076 -2.414,1077 8.744,1078 10.461,1079 1.621,1080 17.583,1081 8.424,1082 12.818,1083 -1.385,1084 16.193,1085 -2.597,1086 9.989,1087 11.992,1088 4.946,1089 20.133,1090 9.611,1091 3.334,1092 -1.562,1093 18.077,1094 -3.397,1095 11.088,1096 13.339,1097 2.316,1098 22.528,1099 10.66,1100 2.884,1101 12.065,1102 19.973,1103 -4.122,1104 12.287,1105 14.816,1106 5.925,1107 25.029,1108 11.802,1109 2.282,1110 9.717,1111 21.878,1112 4.333,1113 13.439,1114 16.227,1115 2.996,1116 27.475,1117 12.899,1118 1.803,1119 6.715,1120 23.79,1121 3.519,1122 14.627,1123 17.689,1124 6.926,1125 29.962,1126 14.03,1127 1.732,1128 5.383,1129 25.707,1130 2.879,1131 15.802,1132 19.128,1133 3.659,1134 32.429,1135 15.147,1136 1.384,1137 4.726,1138 27.629,1139 2.358,1140 16.99,1141 20.587,1142 7.939,1143 34.914,1144 16.277,1145 0.934,1146 3.598,1147 29.555,1148 2.303,1149 18.175,1150 22.038,1151 4.307,1152 37.392,1153 17.404,1154 2664,1155 5186,1156 12.255,1157 22.04,1158 31.246,1159 33.167,1160 33.507,1161 30.172,1162 30.261,1163 38.52,1164 7.647,1165 91.823,1166 28.805,1167 5.501,1168 5.792,1169 6.82,1170 5.419,1171 5.334,1172 7.03,1173 3.349,1174 19.633,1175 5.058,1176 12.287,1177 1.562,1178 1.658,1179 1.675,1180 1.509,1181 1.513,1182 1.926,1183 0.382,1184 4.591,1185 1.44,1186 4.004,1187 4.009,1188 4.279,1189 3.994,1190 7.449,1191 3.941,1192 3.749,1193 3.764,1194 3.745,1195 3.613,1196 7.432,1197 3.629,1198 3.518,1199 3.571,1200 3.446,1201 3.295,1202 7.408,1203 3.295,1204 3.176,1205 3.236,1206 3.08,1207 2.985,1208 4.622,1209 2.977,1210 3.059,1211 3.151,1212 2.956,1213 2.898,1214 4.418,1215 2.837,1216 2.864,1217 2.896,1218 2.854,1219 2.652,1220 4.211,1221 2.643,1222 2.864,1223 2.821,1224 2.726,1225 2.525,1226 3.738,1227 2.607,1228 2.525,1229 2.58,1230 2.474,1231 2.263,1232 3.684,1233 2.267,1234 0.233,1235 0.195,1236 0.353,1237 0.214,1238 0.167,1239 4.65,1240 0.217,1241 3.908,1242 0.084,1243 7.051,1244 0.603,1245 4.28,1246 0.158,1247 3.334,1248 4.333,1249 1.674,1250 12.065,1251 3.154,1252 1.697,1253 1.676,1254 1.852,1255 1.848,1256 1.016,1257 1.84,1258 1.536,1259 1.527,1260 1.793,1261 1.709,1262 0.936,1263 1.746,1264 1.5,1265 1.478,1266 1.645,1267 1.656,1268 0.775,1269 1.646,1270 1.449,1271 1.386,1272 1.578,1273 1.649,1274 0.645,1275 1.644,1276 1.145,1277 1.106,1278 1.403,1279 1.414,1280 0.513,1281 1.434,1282 0.995,1283 0.93,1284 1.145,1285 1.299,1286 0.133,1287 1.268,1288 0.615,1289 0.614,1290 0.954,1291 0.85,1292 0.053,1293 0.893,1294 0.438,1295 0.331,1296 0.482,1297 0.655,1299 0.725,1300 3.714,1302 5.056,1303 3.045,1304 6.586,1305 5.476,1306 8.208,1307 7.6,1308 9.883,1310 5.324,1315 0.243,1318 4.991,1321 1.011,1326 21.229,1327 55.789,1328 109.191,1329 129.735,1330 135.735,1331 135.735,1332 135.735,1333 47.465,1334 6.161,1335 65.37,1336 93.61,1337 10,1338 12.372,1339 3.322,1340 2.907,1341 33.205,1342 46,1343 55,1344 0.371,1345 137.03,1346 246.67,1347 326.113,1348 2740,1350 14.154,1351 0.745,1352 0.614,1353 14.508,1354 11.667,1355 8.968,1356 0.448,1357 0.331,1358 5.776,1359 8.068,1360 5.468,1361 4.559,1362 9.377,1363 6.619,1364 8.189,1365 0.282,1366 0.18,1367 8.864,1368 5.232,1369 6.93,1370 0.173,1371 0.101,1372 7.71,1373 4.051,1374 5.888,1375 0.109,1376 0.055,1377 6.901,1378 2.965,1379 3.928,1380 0.068,1381 0.031,1382 4.749,1383 1.807,1384 0.54,1385 61.033,1386 0.286,1387 18.276,1388 1.16,1389 98,1390 375.448,1391 137.556,1392 368.949,1393 488.14,1394 342,1395 118,1396 330.332,1397 153.684,1398 344.098,1399 511.96,1400 323,1401 5.375}
{0 CHEMBL1403980,1 1.811,2 8,3 4.516,4 20.396,5 102.133,6 10.062,7 0.429,8 3.891,9 3.978,10 3.71,11 3.475,12 5.04,13 3.454,14 4.446,15 4.591,16 4.119,17 3.871,18 5.567,19 3.835,20 4.65,21 4.784,22 4.317,23 4.066,24 5.868,25 4.024,26 4.804,27 4.96,28 4.317,29 4.161,30 5.945,31 4.096,32 4.954,33 5.136,34 4.505,35 4.22,36 6.107,37 4.148,38 4.909,39 5.083,40 4.5,41 4.189,42 6.199,43 4.098,44 4.878,45 5.091,46 4.498,47 4.042,48 6.14,49 3.907,50 4.565,51 4.787,52 4.276,53 3.677,54 5.753,55 3.503,56 0.103,57 0.624,58 4.615,59 4.186,60 8.934,61 4.705,62 0.447,63 1.018,64 17.628,65 7.406,66 31.226,67 8.125,68 0.601,69 1.308,70 24.617,71 9.321,72 57.097,73 9.993,74 0.583,75 1.547,76 23.339,77 11.05,78 62.674,79 12.229,80 0.851,81 1.605,82 42.341,83 13.424,84 73.41,85 14.867,86 0.851,87 1.599,88 30.901,89 13.088,90 104.447,91 14.212,92 1.15,93 1.394,94 54.366,95 13.886,96 120.582,97 14.756,98 0.913,99 0.89,100 64.735,101 10.849,102 71.594,103 11.616,104 47,105 40,106 0.316,107 0.627,108 0.79,109 0.836,110 0.852,111 0.86,112 3.306,113 1.005,114 -4.99,115 -4.9,116 -4.59,118 1,120 43.2,122 1,125 2,126 2,128 1,143 5,144 3,145 4,159 1,174 6,176 1,177 5,185 9,188 1,189 9,197 9,201 8,209 5,213 1,214 7,222 9,226 1,227 4,235 9,239 1,240 4,247 6,251 1,252 4,260 2,264 3,274 1024,275 17.541,276 17.541,277 17.541,278 17.541,279 17.541,280 15.907,281 22.708,282 10.002,283 18.238,284 13.58,285 13.58,286 13.58,287 13.58,288 13.58,289 10.884,290 26.244,291 4.446,292 14.621,293 3.648,294 1.865,295 0.935,296 0.671,297 0.58,298 0.534,299 3.982,300 1,306 1,307 1,308 430,309 3.24,313 194.504,317 107.149,320 1.154,321 36.43,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57.083,333 208,334 4.56,335 3.876,336 7.036,337 4.29,338 3.319,339 4.162,340 2.12,341 12.092,342 3.222,343 4.252,344 3.474,345 6.271,346 3.847,347 2.894,348 3.891,349 1.227,350 9.458,351 2.753,352 3.964,353 3.214,354 6.003,355 3.619,356 2.674,357 3.276,358 0.86,359 8.384,360 2.511,361 3.696,362 2.939,363 5.849,364 3.353,365 2.389,366 2.971,367 0.86,368 7.873,369 2.279,370 3.448,371 2.712,372 5.085,373 2.996,374 2.111,375 2.754,376 0.506,377 5.885,378 1.871,379 3.175,380 2.413,381 4.894,382 2.809,383 1.877,384 2.367,385 0.084,386 5.423,387 1.612,388 2.913,389 2.191,390 4.561,391 2.53,392 1.594,393 2.04,395 4.386,396 1.47,397 2.583,398 1.979,399 4.124,400 2.318,401 1.378,402 1.559,404 3.399,405 1.273,406 2.36,407 1.851,408 4.016,409 2.096,410 1.148,411 1.344,413 2.997,414 1.075,415 1.744,416 1.481,417 3.284,418 1.471,419 0.556,420 0.642,422 1.137,423 0.502,424 1.518,425 1.032,426 2.972,427 1.248,428 0.405,429 0.437,431 0.623,432 0.33,433 1.464,434 0.871,435 2.728,436 1.061,437 0.275,438 0.306,440 0.411,441 0.175,442 1.372,443 0.796,444 2.522,445 0.882,446 0.096,447 0.114,449 0.171,450 0.061,451 0.976,452 0.277,453 2.4,454 0.623,455 -0.298,456 -0.355,458 -0.738,459 -0.234,460 0.843,461 0.12,462 2.37,463 0.544,464 -0.384,465 -0.441,467 -0.766,468 -0.349,469 13.233,470 0.509,471 0.678,472 0.026,473 31,474 1.192,475 14.5,476 0.558,477 16.5,478 0.635,479 26.148,480 1.006,481 28.167,482 0.64,483 23.434,484 0.901,485 6.115,486 0.235,487 6.379,488 0.245,489 0.277,491 0.37,494 1,496 0.662,497 1.126,498 0.481,499 0.882,500 0.533,501 0.879,502 0.978,503 0.856,504 0.614,505 0.693,506 0.665,507 0.729,508 0.859,509 1.085,510 0.872,511 0.971,512 0.899,513 0.959,514 0.969,515 1.144,516 0.648,517 0.956,518 1.125,519 1.058,520 0.999,521 1.018,522 0.721,523 0.935,524 0.931,525 0.947,526 1.099,527 1.18,528 0.753,529 0.944,530 1.158,531 1.03,532 1.072,533 0.985,534 1.307,535 1.058,536 1.155,537 1.007,538 0.828,539 0.784,540 1.658,541 1.239,542 0.627,543 1.085,544 5.5,545 0.012,546 3.556,547 2.063,548 2.382,549 1.368,550 1.015,551 0.653,552 0.279,553 0.081,554 6112,555 23311,556 1.992,557 40.9,559 16,564 2,567 1.703,568 1.814,569 2.979,570 -0.722,575 79.691,576 1.811,577 3.594,578 4.525,579 4.789,580 4.88,581 4.925,582 2.411,583 4.023,584 4.671,585 3.114,586 1012.01,587 8.163,588 12138.4,590 1,593 240.215,594 1.549,595 4.601,596 0.196,597 0.004,598 0.089,599 0.044,600 0.051,601 0.028,602 0.023,603 0.019,604 0.013,605 0.007,606 0.474,607 0.5,608 1,609 1.209,610 122.687,611 -0.029,612 -0.136,613 0.004,614 -0.067,615 -0.022,616 -0.022,617 -0.118,618 0.096,619 0.004,620 0.158,621 -0.026,622 0.161,623 0.013,624 -0.035,625 -0.067,626 -0.071,627 -0.003,628 -0.068,629 -0.089,630 -0.062,631 -0.045,632 -0.098,633 -0.13,634 -0.153,635 -0.054,636 -0.082,637 0.022,638 -0.027,639 -0.036,640 0.008,641 -0.039,642 -0.107,643 0.015,644 -0.015,645 0.019,646 -0.08,647 0.069,648 0.046,649 0.001,650 0.026,651 0.05,652 0.023,653 0.201,654 -0.029,655 0.019,656 -0.063,657 0.157,658 -0.001,659 2.048,660 6.669,661 0.615,662 20,663 1.022,664 1.123,665 3.764,666 14.169,667 0.708,668 3.367,669 3.714,670 4.043,671 4.344,672 4.673,673 4.804,674 4.942,675 5.056,676 5.112,677 4.963,678 5.087,679 0.674,680 442.73,681 3.367,682 4.92,683 5.796,684 6.701,685 7.605,686 8.52,687 9.434,688 10.353,689 11.272,690 12.193,691 2.3,698 1,709 5,714 7,716 12,735 2,737 2,738 44,739 13,740 2,741 28,742 1,743 46,744 19,745 12,746 7,747 5,750 1,752 3,753 4,754 1,759 1,763 2,766 2,768 13,769 6,772 1,778 1,782 1,786 1,787 1,789 18,790 5,792 7,793 2,797 1,803 0.667,804 3,823 3,827 1,839 1,855 2,858 1,859 2,860 1,861 1,862 26,869 3,872 2,874 1,875 1,885 3,886 6.8,889 1,891 2,893 14.333,894 8.629,895 5.944,896 2.45,898 2.297,899 1.315,900 0.96,901 6.104,902 9.592,903 3.584,904 4.174,905 4.741,906 5.282,907 5.871,908 6.128,909 6.442,910 6.798,911 7.114,912 7.224,913 1,914 47,915 9.681,917 4.16,918 7.963,919 18.066,921 14.713,924 2.463,925 64.028,928 1,929 211.88,930 113.562,931 49.078,932 39.149,933 47.145,934 14.96,936 159.516,937 298.173,938 18.084,939 21.766,940 10.614,941 47.381,942 29.85,943 54.219,944 14.96,945 251.028,946 45.954,947 211.88,948 116.686,949 62.105,950 39.149,951 45.954,952 203.298,953 70.687,956 10.614,957 106.072,958 39.149,959 45.954,960 226.84,961 50.269,962 198.664,965 211.88,966 44.414,967 72.272,968 45.954,969 101.253,970 211.88,971 65.229,972 198.664,973 0.579,974 0.364,975 0.201,976 0.123,977 19,978 10,979 0.065,980 3,981 1,982 1.125,983 3.464,984 231.092,985 0.125,986 16,987 122.211,993 19.463,994 8.155,995 3.738,997 65.229,998 8.412,1003 3.706,1006 475.773,1007 35,1013 12.438,1017 -0.239,1020 44.985,1021 49.404,1022 0.332,1023 0.658,1024 0.829,1025 0.877,1026 0.894,1027 0.902,1028 4.844,1029 1.378,1030 5.808,1031 4.386,1032 4.394,1033 4.86,1034 2.693,1035 6.686,1036 4.268,1037 6.058,1038 1.148,1039 7.414,1040 3.399,1041 4.111,1042 4.783,1043 1.858,1044 7.738,1045 3.929,1046 7.384,1047 0.556,1048 9.119,1049 2.997,1050 6.052,1051 7.039,1052 3.546,1053 10.874,1054 5.852,1055 8.744,1056 0.405,1057 10.882,1058 1.137,1059 6.567,1060 7.722,1061 3.485,1062 12.743,1063 6.319,1064 10.134,1065 0.275,1066 12.681,1067 0.623,1068 8.005,1069 9.501,1070 4.782,1071 15.43,1072 7.748,1073 11.543,1074 0.096,1075 14.505,1076 0.411,1077 8.879,1078 10.528,1079 5.079,1080 17.649,1081 8.582,1082 12.967,1083 -0.298,1084 16.349,1085 0.171,1086 10.137,1087 12.115,1088 6.166,1089 20.191,1090 9.826,1091 3.319,1092 -0.384,1093 18.208,1094 -0.738,1095 11.175,1096 13.317,1097 6.647,1098 22.563,1099 10.831,1100 2.894,1101 12.092,1102 20.079,1103 -0.766,1104 12.37,1105 14.814,1106 7.606,1107 25.06,1108 12.008,1109 2.674,1110 9.458,1111 21.961,1112 4.162,1113 13.484,1114 16.109,1115 8.192,1116 27.499,1117 13.093,1118 2.389,1119 8.384,1120 23.851,1121 3.891,1122 14.662,1123 17.563,1124 9.073,1125 29.985,1126 14.249,1127 2.111,1128 7.873,1129 25.749,1130 3.276,1131 15.812,1132 18.909,1133 9.722,1134 32.452,1135 15.372,1136 1.877,1137 5.885,1138 27.654,1139 2.971,1140 16.988,1141 20.341,1142 10.553,1143 34.938,1144 16.525,1145 1.594,1146 5.423,1147 29.564,1148 2.754,1149 18.156,1150 21.716,1151 11.242,1152 37.418,1153 17.667,1154 6214,1155 12210,1156 17.918,1157 31.131,1158 41.6,1159 44.37,1160 45.332,1161 41.419,1162 41.432,1163 51.726,1164 11.312,1165 124.481,1166 38.271,1167 5.508,1168 5.876,1169 6.58,1170 5.33,1171 5.319,1172 7.162,1173 3.789,1174 19.492,1175 5.222,1176 15.664,1177 1.486,1178 1.585,1179 1.619,1180 1.479,1181 1.48,1182 1.847,1183 0.404,1184 4.446,1185 1.367,1186 4.063,1187 4.086,1188 6.88,1189 3.991,1190 8.201,1191 3.991,1192 3.849,1193 3.865,1194 4.015,1195 3.799,1196 7.427,1197 3.788,1198 3.628,1199 3.657,1200 3.792,1201 3.436,1202 4.926,1203 3.454,1204 3.375,1205 3.413,1206 3.738,1207 3.194,1208 4.668,1209 3.191,1210 3.253,1211 3.317,1212 3.402,1213 3.049,1214 4.634,1215 3.031,1216 3.135,1217 3.215,1218 3.077,1219 2.922,1220 4.495,1221 2.916,1222 3.055,1223 3.117,1224 3.023,1225 2.875,1226 4.343,1227 2.852,1228 2.913,1229 2.946,1230 2.924,1231 2.829,1232 3.855,1233 2.794,1234 0.163,1235 0.138,1236 0.251,1237 0.153,1238 0.119,1239 4.56,1240 0.149,1241 3.876,1242 0.076,1243 7.036,1244 0.432,1245 4.29,1246 0.115,1247 3.319,1248 4.162,1249 2.12,1250 12.092,1251 3.222,1252 2.011,1253 1.991,1254 2.092,1255 2.109,1256 1.379,1257 2.106,1258 1.827,1259 1.811,1260 1.895,1261 1.909,1262 1.068,1263 1.914,1264 1.536,1265 1.5,1266 1.705,1267 1.76,1268 0.879,1269 1.744,1270 1.311,1271 1.27,1272 1.576,1273 1.546,1274 0.734,1275 1.559,1276 1.2,1277 1.133,1278 1.539,1279 1.522,1280 0.595,1281 1.539,1282 1.139,1283 1.061,1284 1.48,1285 1.377,1286 0.573,1287 1.421,1288 1.053,1289 0.982,1290 1.291,1291 1.225,1292 0.518,1293 1.258,1294 0.847,1295 0.814,1296 1.07,1297 1.003,1298 0.188,1299 1.029,1300 4.043,1302 5.38,1304 6.936,1306 8.597,1308 10.315,1309 3.387,1310 3.116,1311 5.804,1312 14.669,1315 0.92,1318 10.778,1320 -0.581,1321 1.617,1326 29.67,1327 79.691,1328 158.135,1329 199.096,1330 210.705,1331 214.705,1332 216.705,1333 63.054,1334 7.294,1335 38.77,1336 38.77,1337 18,1338 12.701,1339 3.807,1340 3,1341 43.691,1342 75,1343 86,1344 0.283,1345 190.581,1346 337.83,1347 456.777,1348 12292,1349 6.8,1350 18.845,1351 0.725,1352 0.644,1353 19.474,1354 16.733,1355 12.494,1356 0.446,1357 0.335,1358 7.991,1359 11.03,1360 7.656,1361 6.288,1362 13.014,1363 9.377,1364 10.995,1365 0.275,1366 0.178,1367 11.489,1368 7.128,1369 9.75,1370 0.174,1371 0.094,1372 10.103,1373 5.283,1374 7.925,1375 0.104,1376 0.051,1377 8.365,1378 3.883,1379 7.08,1380 0.067,1381 0.028,1382 7.093,1383 3.005,1384 0.419,1385 91.436,1386 0.236,1387 24.068,1388 0.869,1389 136,1390 501.821,1391 228.037,1392 510.095,1393 655.13,1394 476,1395 164,1396 407.394,1397 215.951,1398 425.739,1399 626.79,1400 396,1401 5.51}
{0 CHEMBL1404327,1 1.531,2 9.8,3 2.655,4 7.048,5 73.543,6 8.259,7 0.818,8 3.589,9 3.678,10 3.235,11 3.201,12 4.867,13 3.198,14 3.995,15 4.11,16 3.562,17 3.55,18 5.264,19 3.53,20 4.24,21 4.395,22 3.574,23 3.625,24 5.472,25 3.58,26 4.234,27 4.448,28 3.342,29 3.473,30 5.362,31 3.398,32 4.06,33 4.302,34 3.18,35 3.302,36 5.107,37 3.225,38 3.82,39 4.031,40 3.04,41 3.088,42 5.035,43 3.025,44 3.591,45 3.759,46 2.903,47 2.915,48 4.931,49 2.875,50 3.506,51 3.671,52 2.726,53 2.91,54 4.656,55 2.835,56 0.06,57 0.419,58 5.224,59 2.714,60 11.191,61 2.969,62 0.072,63 0.657,64 8.029,65 4.132,66 9.791,67 4.825,68 0.143,69 0.805,70 12.328,71 5.557,72 25.734,73 6.557,74 0.218,75 0.837,76 14.239,77 5.319,78 33.658,79 6.621,80 0.159,81 0.725,82 12.45,83 4.467,84 22.189,85 5.992,86 0.191,87 0.538,88 9.381,89 3.59,90 23.437,91 4.706,92 0.19,93 0.401,94 7.07,95 2.836,96 24.857,97 3.368,98 0.086,99 0.366,100 6.102,101 2.767,102 14.472,103 3.264,104 5,105 30,106 0.282,107 0.507,108 0.622,109 0.691,110 0.737,111 0.772,112 3.057,113 0.836,114 -3.6,115 -3.57,116 -3.4,120 50,143 8,144 3,145 2,146 2,150 1,174 9,176 1,177 4,182 4,185 10,189 6,194 4,197 6,201 8,206 2,209 1,214 4,219 1,222 3,230 2,235 6,243 2,247 8,257 1,260 8,269 2,271 4,274 408,275 13.585,276 13.585,277 13.585,278 13.585,279 13.585,280 11.435,281 4.313,282 8.022,283 13.776,284 10.841,285 10.841,286 10.841,287 10.841,288 10.841,289 7.752,290 2.326,291 3.823,292 11.186,293 3.469,294 2.249,295 1.625,296 1.25,297 1,298 0.813,299 3.74,305 1,306 1,307 1,308 424,309 1.732,313 198.203,320 1.64,321 18.338,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43,333 196,334 4.319,335 2.954,336 6.2,337 3.918,338 2.941,339 3.995,341 9.236,342 2.878,343 4.144,344 2.814,345 6.079,346 3.757,347 2.77,348 3.755,350 8.851,351 2.728,352 3.774,353 2.563,354 5.064,355 3.312,356 2.356,357 3.312,359 6.161,360 2.246,361 3.614,362 2.455,363 5.028,364 3.204,365 2.248,366 3,368 6.044,369 2.139,370 3.105,371 1.732,372 4.481,373 2.621,374 1.661,375 2.361,377 4.53,378 1.589,379 2.703,380 1.293,381 4.146,382 2.2,383 1.235,384 1.796,386 3.516,387 1.187,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.414,409 1.917,410 1,411 1.5,413 2.275,414 0.916,415 1.316,416 0.229,417 2.689,418 0.942,424 1.091,425 0.072,426 2.312,427 0.701,428 -0.235,429 -0.296,431 -0.516,432 -0.217,433 0.726,434 -0.501,435 2,436 0.26,437 -0.661,438 -0.861,440 -1.53,441 -0.603,442 0.5,443 -1,444 2,446 -1,447 -1.5,449 -3,450 -0.946,451 0.5,452 -1,453 2,455 -1,456 -1.5,458 -3,459 -1,460 0.5,461 -1,462 1.665,463 -0.049,464 -1,465 -1.5,467 -3,468 -1,469 9.467,470 0.473,471 0.452,472 0.023,473 31.5,474 1.575,475 19,476 0.95,477 12.5,478 0.625,479 10.042,480 0.502,481 19.933,482 0.623,483 20.219,484 1.011,485 6.386,486 0.319,487 3.335,488 0.167,489 0.07,491 0.317,496 0.972,497 0.994,498 0.747,499 0.817,500 1.029,501 0.761,502 0.681,503 1.054,504 0.812,505 1.019,506 0.608,507 0.951,508 1.013,509 1.262,510 1.027,511 1.147,512 0.979,513 1.109,514 1.057,515 1.134,516 1.138,517 1,518 0.963,519 1.055,520 0.725,521 0.987,522 0.936,523 0.859,524 0.558,525 0.892,526 0.657,527 0.885,528 0.899,529 0.922,530 0.627,531 0.939,532 1.056,533 0.733,534 0.997,535 0.879,536 1.134,537 0.925,538 1.043,539 0.869,540 1.169,541 1.057,542 1.126,543 1.123,544 4,545 0.082,546 2.667,547 0.75,548 0.587,549 0.611,550 0.483,551 0.125,552 0.082,553 0.102,554 4136,555 12553,556 2.107,557 37.5,559 8,561 2,562 2,567 1.611,568 2,569 3.269,570 0.311,572 1,574 1,575 48.98,576 1.531,577 2.751,578 3.375,579 3.75,580 4,581 4.188,582 2.722,583 2.446,584 4.29,585 3.38,586 642.107,587 7.297,588 6596.23,589 1,590 1,591 1,592 1,593 160,594 1.295,595 4.266,596 0.182,597 0.01,598 0.089,599 0.026,600 0.027,601 0.032,602 0.03,603 0.009,604 0.007,605 0.01,606 0.422,607 0.67,608 1,609 0.548,610 89.655,611 -0.144,612 0.004,613 -0.013,614 0.105,615 -0.211,616 0.072,617 -0.001,618 -0.03,619 -0.057,620 -0.105,621 0.019,622 -0.095,623 -0.11,624 -0.297,625 -0.139,626 -0.198,627 -0.077,628 -0.186,629 -0.166,630 -0.101,631 -0.142,632 -0.058,633 -0.154,634 -0.087,635 -0.054,636 0.08,637 0.081,638 0.088,639 -0.021,640 0.117,641 0.224,642 0.132,643 0.104,644 0.036,645 0.195,646 0.048,647 0.166,648 0.237,649 -0.022,650 0.084,651 0.119,652 0.01,653 -0.167,654 0.055,655 -0.262,656 -0.073,657 -0.206,658 -0.159,659 1.45,660 3.267,661 0.9,662 16.08,663 1.009,664 1.109,665 2.367,666 5.6,667 0.71,668 3.135,669 3.434,670 3.664,671 3.85,672 4.111,673 4.111,674 4.174,675 4.174,676 4.29,677 4.394,678 5.588,679 0.691,680 264.3,681 3.135,682 4.654,683 5.485,684 6.337,685 7.183,686 8.038,687 8.89,688 9.746,689 10.601,690 11.458,691 6.3,701 2,709 10,710 2,714 6,716 18,734 2,738 32,739 18,740 2,741 22,743 34,744 16,745 16,746 4,747 8,752 3,753 3,768 16,785 1,786 1,789 12,790 4,791 2,792 4,797 2,803 1,804 2,817 1,823 3,855 3,862 20,868 2,886 6.3,888 2,893 10,894 5.633,895 4.389,896 1.736,898 3.244,899 1.489,900 0.954,901 3.255,902 9.873,903 3.466,904 4.086,905 4.67,906 5.229,907 5.829,908 6.031,909 6.46,910 6.816,911 7.238,912 7.659,913 0.857,914 29,915 7.31,917 3.092,918 7.9,919 13.69,921 11.021,924 2.4,925 48,929 117.711,930 105.789,931 33.571,933 85.367,936 105.789,937 203.078,938 33.571,941 75.81,942 142.48,943 29.979,945 94.169,947 117.711,948 139.361,949 85.367,952 120.039,953 85.367,956 18.095,957 85.367,958 33.571,960 117.711,961 118.938,962 105.789,965 117.711,966 11.885,967 93.905,969 118.938,970 117.711,971 118.938,972 105.789,973 0.581,974 0.329,975 0.164,976 0.096,977 15,978 6,979 0.059,980 2,982 1,983 3.348,984 146.131,986 18,987 74.439,993 12.486,994 5.214,995 2.746,997 118.938,998 17.104,999 8.644,1003 3.727,1005 85.367,1006 342.438,1007 31,1020 32.276,1021 35.491,1022 0.306,1023 0.55,1024 0.675,1025 0.75,1026 0.8,1027 0.838,1028 4.659,1029 1,1030 5.451,1031 2.275,1032 4.111,1033 4.771,1035 6.201,1036 4.051,1037 5.869,1038 1,1039 6.974,1040 2.275,1041 3.611,1042 4.407,1044 6.986,1045 3.51,1046 7.159,1048 8.593,1049 2.275,1050 5.652,1051 6.958,1053 10.012,1054 5.545,1055 8.485,1056 -0.235,1057 10.267,1059 5.943,1060 7.37,1062 11.619,1063 5.802,1064 9.836,1065 -0.661,1066 11.977,1067 -0.516,1068 7.448,1069 9.376,1071 14.14,1072 7.301,1073 11.207,1074 -1,1075 13.711,1076 -1.53,1077 8.112,1078 10.176,1080 16.089,1081 7.938,1082 12.593,1083 -1,1084 15.464,1085 -3,1086 9.378,1087 11.91,1089 18.422,1090 9.194,1091 2.941,1092 -1,1093 17.23,1094 -3,1095 10.231,1096 12.932,1098 20.519,1099 10.025,1100 2.77,1101 9.236,1102 19.007,1103 -3,1104 11.384,1105 14.513,1107 22.777,1108 11.165,1109 2.356,1110 8.851,1111 20.792,1112 3.995,1113 12.337,1114 15.67,1116 24.937,1117 12.098,1118 2.248,1119 6.161,1120 22.583,1121 3.755,1122 13.438,1123 17.161,1125 27.166,1126 13.184,1127 1.661,1128 6.044,1129 24.378,1130 3.312,1131 14.443,1132 18.401,1134 29.353,1135 14.169,1136 1.235,1137 4.53,1138 26.178,1139 3,1140 15.521,1141 19.841,1143 31.571,1144 15.23,1145 1,1146 3.516,1147 27.981,1148 2.361,1149 16.553,1150 21.132,1152 33.77,1153 16.243,1154 3992,1155 7038,1156 14.909,1157 22.727,1158 32.954,1159 32.517,1160 33.391,1161 32.512,1162 32.422,1163 45.437,1165 90.326,1166 31.366,1167 4.988,1168 4.954,1169 5.614,1170 4.986,1171 4.941,1172 6.995,1174 15.471,1175 4.878,1176 8.097,1177 1.498,1178 1.478,1179 1.518,1180 1.478,1181 1.474,1182 2.065,1184 4.106,1185 1.426,1186 4.012,1187 4.042,1188 3.971,1189 3.931,1190 6.473,1191 3.936,1192 3.878,1193 3.899,1194 3.822,1195 3.817,1196 6.468,1197 3.815,1198 3.635,1199 3.676,1200 3.582,1201 3.495,1202 5.015,1203 3.511,1204 3.041,1205 3.056,1206 2.988,1207 2.902,1208 4.609,1209 2.919,1210 2.854,1211 2.925,1212 2.714,1213 2.735,1214 4.491,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.962,1221 2.715,1222 2.816,1223 2.842,1224 2.687,1225 2.597,1226 3.674,1227 2.616,1228 2.679,1229 2.776,1230 2.56,1231 2.423,1232 3.674,1233 2.442,1234 0.196,1235 0.134,1236 0.282,1237 0.178,1238 0.134,1239 4.319,1240 0.182,1241 2.954,1243 6.2,1244 0.42,1245 3.918,1246 0.131,1247 2.941,1248 3.995,1250 9.236,1251 2.878,1252 1.964,1253 1.939,1254 2.047,1255 2.065,1256 1.131,1257 2.059,1258 1.874,1259 1.853,1260 1.977,1261 1.958,1262 1.061,1263 1.965,1264 1.582,1265 1.543,1266 1.69,1267 1.748,1268 0.691,1269 1.734,1270 0.974,1271 0.955,1272 1.181,1273 1.175,1274 0.218,1275 1.146,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.101,1285 1.062,1286 0.176,1287 1.107,1288 0.719,1289 0.687,1290 0.953,1291 1.029,1293 0.996,1294 0.618,1295 0.524,1296 0.921,1297 0.912,1299 0.918,1300 3.807,1302 5.106,1304 6.608,1306 8.19,1308 9.809,1314 18.525,1326 22.106,1327 48.98,1328 88.026,1329 108,1330 120,1331 128,1332 134,1333 26.511,1334 6.629,1335 66.24,1336 66.24,1337 18,1338 12.011,1339 4.248,1340 3.322,1341 30.204,1342 70,1343 60,1344 0.225,1345 137.302,1346 231.4,1347 326.777,1348 5920,1350 13.949,1351 0.697,1352 0.528,1353 13.949,1354 10.562,1355 9.72,1356 0.442,1357 0.279,1358 6.068,1359 9.448,1360 5.944,1361 4.943,1362 9.72,1363 6.131,1364 8.715,1365 0.29,1366 0.146,1367 8.715,1368 4.389,1369 7.271,1370 0.191,1371 0.078,1372 7.271,1373 2.978,1374 5.602,1375 0.122,1376 0.041,1377 5.602,1378 1.891,1379 4.767,1380 0.079,1381 0.021,1382 4.767,1383 1.281,1384 0.355,1385 60.385,1386 0.259,1387 20.197,1388 0.609,1389 104,1390 309.59,1391 111.704,1392 307.506,1393 419.42,1394 286,1395 120,1396 308.99,1397 127.319,1398 316.894,1399 456.34,1400 298,1401 5.302}
{0 CHEMBL1404783,1 1.588,2 9.208,3 2.415,4 5.83,5 95.009,6 7.261,7 0.231,8 3.952,9 4.067,10 3.546,11 3.497,12 4.949,13 3.437,14 4.554,15 4.738,16 3.921,17 3.909,18 5.485,19 3.817,20 4.784,21 4.999,22 3.996,23 4.036,24 5.759,25 3.922,26 4.816,27 5.006,28 4.124,29 4.047,30 5.937,31 3.956,32 4.832,33 5.034,34 3.994,35 4.109,36 5.929,37 3.967,38 4.912,39 5.151,40 3.904,41 4.091,42 5.853,43 3.921,44 4.793,45 5.03,46 3.649,47 3.891,48 5.803,49 3.745,50 4.657,51 4.907,52 3.332,53 3.742,54 5.576,55 3.566,56 0.001,57 0.692,58 11.247,59 4.968,60 5.874,61 6.373,62 0.285,63 1.178,64 25.399,65 8.417,66 22.084,67 10.997,68 0.337,69 1.369,70 30.564,71 10.574,72 39.256,73 13.71,74 0.449,75 1.385,76 35.312,77 10.665,78 62.154,79 13.133,80 0.438,81 1.448,82 34.254,83 11.902,84 77.172,85 14.96,86 0.375,87 1.489,88 40.128,89 13.24,90 49.273,91 16.719,92 0.368,93 1.244,94 32.749,95 10.677,96 62.188,97 13.754,98 0.423,99 1.071,100 27.728,101 9.308,102 52.156,103 12.447,104 22,105 36,106 0.275,107 0.561,108 0.795,109 0.816,110 0.816,111 0.816,112 3.229,113 1.103,114 -3.34,115 -3.32,116 -3.18,120 37.5,121 1,122 3,125 1,126 3,128 1,129 1,143 4,144 1,145 1,159 2,174 6,176 2,177 8,185 5,188 2,189 6,197 4,201 9,209 4,213 2,214 8,222 4,226 1,227 9,235 6,240 6,247 6,251 1,252 1,260 6,263 2,264 1,271 4,274 858,275 16.43,276 16.43,277 16.43,278 16.43,279 16.43,280 15.496,281 20.868,282 9.571,283 16.934,284 12.654,285 12.654,286 12.654,287 12.654,288 12.654,289 11.049,290 20.314,291 4.317,292 13.367,293 3.997,294 2.342,295 0.99,296 0.865,297 0.865,298 0.865,299 3.904,305 1,306 1,307 1,308 466,309 3.317,312 140.47,313 79.02,320 1.41,321 26.256,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 52,333 221,334 4.393,335 4.613,336 6.984,337 4.22,338 3.283,339 3.734,340 3.533,341 11.839,342 3.078,343 4.061,344 3.825,345 6.266,346 3.774,347 2.812,348 3.419,349 2.005,350 9.249,351 2.701,352 3.836,353 3.623,354 5.748,355 3.525,356 2.562,357 3.039,358 1.914,359 7.654,360 2.467,361 3.53,362 3.012,363 5.281,364 3.197,365 2.245,366 2.771,367 0.86,368 6.654,369 2.119,370 3.173,371 2.784,372 5.086,373 3.022,374 2.034,375 2.2,376 0.681,377 5.663,378 1.992,379 2.777,380 2.489,381 4.435,382 2.492,383 1.537,384 1.77,385 0.52,386 4.022,387 1.45,388 2.5,389 2.148,390 3.876,391 2.053,392 1.116,393 1.5,394 0.094,395 2.803,396 1.033,397 2.21,398 2.013,399 3.644,400 2,401 1,402 1.176,404 2.275,405 1,406 1.929,407 1.136,408 3.414,409 1.751,410 0.9,411 0.911,413 2.142,414 0.746,415 1.824,416 1.094,417 3.12,418 1.591,419 0.618,420 0.654,422 1.372,423 0.6,424 1.618,425 1.01,426 3,427 1.553,428 0.579,429 0.618,431 1.277,432 0.547,433 1.617,434 1,435 2.792,436 1.323,437 0.423,438 0.485,440 0.71,441 0.378,442 1.457,443 0.744,444 2.502,445 1.181,446 0.152,447 0.178,449 0.21,450 0.153,451 0.829,452 0.693,453 2.215,454 0.484,455 -0.471,456 -0.569,458 -0.944,459 -0.443,460 0.5,461 0.05,462 2.037,463 0.04,464 -0.928,465 -1.095,467 -2.315,468 -0.839,469 11.633,470 0.485,471 0.521,472 0.022,473 25,474 1.042,475 9.5,476 0.396,477 15.5,478 0.646,479 24.556,480 1.023,481 27.367,482 0.57,483 17.296,484 0.721,485 4.351,486 0.181,487 7.301,488 0.304,489 0.143,491 0.327,496 0.69,497 1.444,498 0.783,499 1.123,500 0.513,501 1.073,502 0.876,503 1.179,504 1.085,505 1.09,506 0.572,507 0.974,508 1.025,509 0.97,510 0.931,511 0.926,512 1.001,513 0.947,514 1.556,515 1.073,516 1.121,517 1.05,518 1.951,519 0.939,520 0.97,521 1.103,522 1.215,523 1.146,524 1.136,525 1.111,526 0.85,527 1.082,528 1.241,529 1.243,530 0.905,531 1.081,532 1.305,533 1.023,534 1.14,535 1.065,536 1.586,537 1.053,538 1.035,539 0.952,540 1.094,541 1.021,542 0.995,543 1.106,544 4,545 0.038,546 3.111,547 1.556,548 1.687,549 1.06,550 0.519,551 0.368,552 0.211,553 0.101,554 5650,555 14243,556 2.04,557 50,558 3,559 14,560 1,563 2,564 4,567 1.675,568 1.895,569 3.166,570 -0.74,571 1,572 1,575 76.226,576 1.588,577 3.242,578 4.595,579 4.72,580 4.72,581 4.72,582 2.69,583 4.085,584 4.551,585 3.294,586 909.033,587 7.892,588 10393.9,590 1,592 1,593 268.078,594 1.459,595 4.507,596 0.154,597 0.005,598 0.086,599 0.042,600 0.043,601 0.029,602 0.016,603 0.014,604 0.011,605 0.008,606 0.41,607 0.33,608 1,609 1.112,610 112.198,611 0.001,612 -0.225,613 0.083,614 -0.046,615 0.003,616 -0.018,617 0.036,618 -0.017,620 -0.002,621 0.019,622 0.027,623 -0.027,624 0.09,625 0.043,626 0.058,627 -0.025,628 0.027,629 -0.171,630 -0.008,631 0.037,632 0.025,633 -0.198,634 0.026,635 0.004,636 -0.028,637 -0.117,638 -0.055,639 0.079,640 -0.107,641 0.008,642 -0.07,643 -0.081,644 -0.127,645 0.029,646 -0.065,647 -0.157,648 -0.072,649 -0.144,650 -0.094,651 -0.145,652 -0.089,653 -0.04,654 -0.026,655 -0.19,656 -0.098,657 -0.059,658 -0.138,659 1.673,660 5.854,661 0.667,662 19.438,663 1,664 1.127,665 2.107,666 4.44,667 0.654,668 3.296,669 3.611,670 3.932,671 4.19,672 4.331,673 4.443,674 4.511,675 4.595,676 4.635,677 4.511,678 5.422,679 0.608,680 348.51,681 3.296,682 4.828,683 5.694,684 6.578,685 7.466,686 8.36,687 9.257,688 10.157,689 11.058,690 11.961,691 4.2,698 2,709 4,714 2,716 6,735 1,738 48,739 8,740 1,741 26,743 50,744 18,745 6,746 2,747 4,752 3,753 3,759 1,763 3,766 4,768 8,769 10,772 2,778 2,782 2,785 1,786 1,789 24,790 5,792 6,793 1,797 2,803 1,804 3,819 1,822 2,823 1,839 2,855 3,856 1,857 1,859 2,862 24,869 6,872 1,873 1,874 2,875 2,886 6.3,889 2,891 1,893 12.667,894 9.067,895 5.5,896 3.128,898 1.115,899 1.163,900 0.933,901 5.721,902 7.973,903 3.466,904 3.922,905 4.385,906 4.782,907 5.184,908 5.3,909 5.488,910 5.711,911 5.91,912 5.874,913 1,914 37,915 8.992,917 3.841,918 7.736,919 17.415,921 14.545,924 2.236,925 53.667,928 1,929 282.506,930 120.386,931 6.249,933 61.29,935 32.22,936 88.166,937 343.796,938 6.249,939 19.708,940 18.963,941 37.905,942 59.699,943 19.429,944 11.771,945 302.955,947 282.506,948 94.415,949 61.29,950 32.22,952 235.422,953 108.374,956 27.789,957 66.626,959 32.22,960 282.506,961 67.538,962 120.386,965 282.506,966 62.773,967 63.862,969 61.29,970 282.506,971 67.538,972 120.386,973 0.574,974 0.359,975 0.193,976 0.098,977 17,978 8,979 0.08,980 4,982 1,983 3.499,984 197.409,986 16,987 102.039,989 1,993 17.623,994 7.791,995 3.599,997 67.538,998 7.768,1003 1.833,1006 470.431,1007 31,1013 25.422,1017 0.149,1020 47.982,1021 54.112,1022 0.284,1023 0.581,1024 0.823,1025 0.845,1026 0.845,1027 0.845,1028 4.723,1029 1,1030 5.68,1031 2.803,1032 4.29,1033 4.605,1034 3.707,1035 6.526,1036 4.189,1037 5.873,1038 0.9,1039 7.265,1040 2.275,1041 3.892,1042 4.331,1043 2.668,1044 7.545,1045 3.754,1046 7.16,1047 0.618,1048 8.955,1049 2.142,1050 5.911,1051 6.573,1052 5.798,1053 10.68,1054 5.706,1055 8.483,1056 0.579,1057 10.708,1058 1.372,1059 6.399,1060 7.113,1061 4.996,1062 12.56,1063 6.137,1064 9.84,1065 0.423,1066 12.504,1067 1.277,1068 7.849,1069 8.836,1070 8.189,1071 15.23,1072 7.53,1073 11.218,1074 0.152,1075 14.327,1076 0.71,1077 8.715,1078 9.709,1079 7.554,1080 17.451,1081 8.327,1082 12.612,1083 -0.471,1084 16.172,1085 0.21,1086 9.969,1087 11.242,1088 10.652,1089 19.98,1090 9.525,1091 3.283,1092 -0.928,1093 18.033,1094 -0.944,1095 11.003,1096 12.276,1097 10.211,1098 22.343,1099 10.485,1100 2.812,1101 11.839,1102 19.906,1103 -2.315,1104 12.192,1105 13.719,1106 13.135,1107 24.827,1108 11.614,1109 2.562,1110 9.249,1111 21.79,1112 3.734,1113 13.301,1114 14.846,1115 12.876,1116 27.249,1117 12.651,1118 2.245,1119 7.654,1120 23.682,1121 3.419,1122 14.473,1123 16.24,1124 15.625,1125 29.72,1126 13.759,1127 2.034,1128 6.654,1129 25.582,1130 3.039,1131 15.617,1132 17.424,1133 15.524,1134 32.168,1135 14.832,1136 1.537,1137 5.663,1138 27.487,1139 2.771,1140 16.788,1141 18.788,1142 18.118,1143 34.636,1144 15.935,1145 1.116,1146 4.022,1147 29.398,1148 2.2,1149 17.949,1150 20.012,1151 18.153,1152 37.096,1153 17.027,1154 5616,1155 9012,1156 17.107,1157 31.398,1158 38.85,1159 42.212,1160 40.833,1161 38.566,1162 38.522,1163 44.912,1164 19.217,1165 111.742,1166 36.53,1167 5.393,1168 6.613,1169 6.581,1170 5.343,1171 5.283,1172 6.734,1173 6.925,1174 19.371,1175 5.078,1176 12.148,1177 1.494,1178 1.624,1179 1.57,1180 1.483,1181 1.482,1182 1.727,1183 0.739,1184 4.298,1185 1.405,1186 3.991,1187 4.024,1188 4.083,1189 3.912,1190 7.431,1191 3.897,1192 3.853,1193 3.901,1194 3.775,1195 3.707,1196 7.422,1197 3.711,1198 3.713,1199 3.758,1200 3.685,1201 3.579,1202 4.865,1203 3.562,1204 3.494,1205 3.55,1206 3.455,1207 3.359,1208 4.399,1209 3.331,1210 3.265,1211 3.321,1212 3.183,1213 3.032,1214 4.277,1215 3.042,1216 3.074,1217 3.118,1218 3.044,1219 2.866,1220 4.096,1221 2.847,1222 2.902,1223 2.979,1224 2.786,1225 2.735,1226 3.944,1227 2.715,1228 2.869,1229 2.961,1230 2.687,1231 2.671,1232 3.674,1233 2.647,1234 0.169,1235 0.177,1236 0.269,1237 0.162,1238 0.126,1239 4.393,1240 0.144,1241 4.613,1242 0.136,1243 6.984,1244 0.455,1245 4.22,1246 0.118,1247 3.283,1248 3.734,1249 3.533,1250 11.839,1251 3.078,1252 1.902,1253 1.882,1254 2.002,1255 2,1256 1.211,1257 2.002,1258 1.674,1259 1.631,1260 1.869,1261 1.888,1262 1.174,1263 1.876,1264 1.577,1265 1.507,1266 1.86,1267 1.764,1268 1.113,1269 1.793,1270 1.541,1271 1.487,1272 1.76,1273 1.751,1274 1.002,1275 1.772,1276 1.307,1277 1.256,1278 1.58,1279 1.541,1280 0.913,1281 1.556,1282 1.271,1283 1.207,1284 1.566,1285 1.508,1286 0.687,1287 1.545,1288 1.109,1289 1.03,1290 1.313,1291 1.32,1292 0.553,1293 1.368,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.97,1302 5.283,1303 3.045,1304 6.795,1305 5.283,1306 8.396,1307 7.31,1308 10.049,1310 3.491,1315 4.849,1318 5.206,1319 1.673,1320 -0.437,1321 3.713,1326 29.169,1327 76.226,1328 155.64,1329 220.568,1330 226.568,1331 226.568,1332 226.568,1333 51.691,1334 6.858,1335 49.85,1336 75.15,1337 16,1338 12.481,1339 3.17,1340 2.585,1341 38.984,1342 74,1343 95,1344 0.255,1345 183.324,1346 325.66,1347 439.07,1348 7179,1350 17.104,1351 0.713,1352 0.627,1353 17.458,1354 15.051,1355 11.651,1356 0.448,1357 0.368,1358 8.478,1359 10.742,1360 8.151,1361 6.731,1362 12.106,1363 9.557,1364 9.961,1365 0.277,1366 0.202,1367 10.485,1368 7.275,1369 9.016,1370 0.18,1371 0.12,1372 9.736,1373 6.018,1374 7.224,1375 0.111,1376 0.074,1377 8.18,1378 4.8,1379 5.263,1380 0.07,1381 0.041,1382 6.095,1383 3.077,1384 0.387,1385 77.795,1386 0.242,1387 23.036,1388 0.744,1389 124,1390 363.357,1391 159.641,1392 359.481,1393 480.94,1394 338,1395 148,1396 325.87,1397 183.546,1398 336.458,1399 499.99,1400 316,1401 4.492}
{0 CHEMBL1404932,1 1.452,2 8.667,3 2.575,4 6.629,5 93.688,6 7.581,7 0.231,8 3.819,9 3.925,10 3.397,11 3.44,12 5.014,13 3.41,14 4.341,15 4.492,16 3.785,17 3.853,18 5.42,19 3.804,20 4.654,21 4.808,22 3.898,23 4.045,24 5.777,25 3.973,26 4.821,27 5.07,28 3.904,29 3.972,30 6.051,31 3.892,32 4.534,33 4.706,34 3.687,35 3.787,36 5.856,37 3.741,38 4.356,39 4.526,40 3.67,41 3.774,42 5.694,43 3.702,44 4.495,45 4.705,46 3.578,47 3.779,48 5.737,49 3.689,50 4.449,51 4.685,52 3.384,53 3.615,54 5.642,55 3.501,56 0.022,57 0.545,58 7.84,59 3.843,60 13.014,61 4.799,62 0.088,63 0.884,64 14.688,65 6.936,66 23.212,67 8.973,68 0.135,69 1.19,70 20.797,71 9.197,72 43.986,73 11.461,74 0.384,75 1.385,76 29.155,77 10.903,78 89.983,79 14.853,80 0.366,81 1.029,82 20.562,83 7.226,84 86.22,85 8.371,86 0.133,87 0.935,88 15.17,89 6.644,90 56.924,91 8.924,92 0.18,93 1.085,94 18.948,95 7.015,96 58.421,97 9.343,98 0.173,99 0.98,100 19.312,101 7.214,102 51.462,103 9.705,104 27,105 38,106 0.252,107 0.659,108 0.747,109 0.795,110 0.807,111 0.807,112 3.23,113 0.902,114 -3.4,115 -3.38,116 -3.24,120 47.6,121 2,122 2,123 1,124 1,137 2,139 1,140 1,142 2,143 5,144 1,157 1,159 1,164 1,165 1,166 1,174 15,177 6,179 1,180 1,182 1,185 21,187 1,189 5,194 1,197 13,199 1,200 2,201 11,203 1,204 1,206 3,209 14,211 3,214 3,219 2,222 13,224 2,226 1,227 5,229 1,230 1,232 4,235 12,237 4,240 7,245 2,247 9,249 2,252 8,257 2,260 8,262 2,264 3,269 1,271 8,273 1,274 836,275 15.801,276 15.801,277 15.801,278 15.801,279 15.801,280 14.022,281 15.878,282 9.13,283 15.923,284 12.775,285 12.775,286 12.775,287 12.775,288 12.775,289 9.981,290 15.519,291 4.25,292 12.978,293 3.94,294 1.602,295 1.092,296 0.816,297 0.75,298 0.75,299 3.904,305 1,306 1,307 1,308 439,309 3.082,313 187.728,317 100.052,320 1.139,321 28.489,322 1,323 1,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 51,333 208,334 4.646,335 4.179,336 7.022,337 4.382,338 3.388,339 4.061,340 2.358,341 12.023,342 3.369,343 4.257,344 3.848,345 6.679,346 4.055,347 3.066,348 3.595,349 1.6,350 10.815,351 3.034,352 4.083,353 3.384,354 6.031,355 3.515,356 2.517,357 3.485,358 1.277,359 8.348,360 2.515,361 3.881,362 3.133,363 5.369,364 3.462,365 2.469,366 3.009,367 1.24,368 6.996,369 2.449,370 3.512,371 2.928,372 5.281,373 3.018,374 2.085,375 2.548,376 0.362,377 6.451,378 1.935,379 3.347,380 2.727,381 4.885,382 2.766,383 1.753,384 2.351,386 5.032,387 1.758,388 3.157,389 2.513,390 3.787,391 2.482,392 1.486,393 1.964,395 3.175,396 1.476,397 2.861,398 1.672,399 3.613,400 2,401 1.041,402 1.577,404 2.334,405 1,406 2.576,407 1.392,408 3.397,409 1.992,410 1,411 1.5,413 2.136,414 0.985,415 2.5,416 1.093,417 3.247,418 1.561,419 0.572,420 0.946,422 1.326,423 0.563,424 1.431,425 1,426 3.235,427 1.005,428 0.024,429 0.031,431 0.05,432 0.023,433 1.167,434 0.567,435 2.888,436 0.769,437 -0.174,438 -0.192,440 -0.483,441 -0.161,442 0.896,443 0.362,444 2.64,445 0.608,446 -0.388,447 -0.508,449 -0.9,450 -0.377,451 0.795,452 0.194,453 2.385,454 0.491,455 -0.513,456 -0.617,458 -1.354,459 -0.525,460 0.647,461 -0.307,462 2.15,463 0.199,464 -0.791,465 -1,467 -1.792,468 -0.783,469 11.467,470 0.478,471 0.762,472 0.032,473 29.25,474 1.219,475 15,476 0.625,477 14.25,478 0.594,479 21.859,480 0.911,481 24.533,482 0.584,483 21.528,484 0.897,485 5.527,486 0.23,487 5.882,488 0.245,489 0.186,490 0.044,491 0.305,496 0.745,497 0.939,498 0.779,499 0.92,500 0.613,501 0.859,502 0.589,503 0.89,504 0.697,505 0.926,506 0.475,507 0.849,508 1.189,509 1.204,510 1.127,511 1.224,512 0.916,513 1.188,514 0.835,515 0.85,516 0.687,517 0.829,518 0.791,519 0.756,520 2.317,521 0.896,522 1.295,523 0.811,524 2.027,525 0.906,526 0.474,527 1.268,528 0.914,529 1.174,530 0.652,531 1.12,532 1.109,533 1.084,534 1.196,535 1.064,536 1.395,537 1.108,538 1.106,539 1.137,540 1.083,541 1.081,542 1.197,543 1.077,544 6,545 0.05,546 2.889,547 2.563,548 1.982,549 1.118,550 0.732,551 0.368,552 0.226,553 0.149,554 5522,555 14760,556 2.005,557 42.9,558 7,559 5,562 2,563 2,564 2,567 1.676,568 1.834,569 3.045,570 0.214,571 1,572 1,574 1,575 60.98,576 1.452,577 3.791,578 4.3,579 4.576,580 4.642,581 4.642,582 2.424,583 4.085,584 4.555,585 3.217,586 887.97,587 7.899,588 10126.8,589 1,590 1,592 1,593 226.477,594 1.697,595 4.483,596 0.231,597 0.01,598 0.076,599 0.064,600 0.051,601 0.035,602 0.023,603 0.013,604 0.01,605 0.012,606 0.525,607 0.5,608 1,609 0.854,610 111.612,611 -0.051,612 0.109,613 0.021,614 0.065,615 -0.029,616 0.06,617 0.14,618 0.083,619 0.171,620 0.083,621 0.073,622 0.123,623 -0.123,624 -0.242,625 -0.219,626 -0.238,627 -0.122,628 -0.245,629 0.276,630 0.09,631 0.361,632 0.154,633 0.254,634 0.25,635 -0.449,636 0.098,637 -0.264,638 0.13,639 -0.313,640 -0.018,641 0.209,642 -0.245,643 -0.032,644 -0.205,645 0.255,646 -0.169,647 -0.177,648 -0.015,649 -0.244,650 -0.134,651 -0.21,652 -0.179,653 -0.085,654 -0.159,655 -0.073,656 -0.118,657 -0.088,658 -0.099,659 1.956,660 5.656,661 0.667,662 18.403,663 0.998,664 1.113,665 2.173,666 4.721,667 0.691,668 3.296,669 3.664,670 3.912,671 4.234,672 4.454,673 4.595,674 4.605,675 4.718,676 4.663,677 4.605,678 5.25,679 0.659,680 318.4,681 3.296,682 4.86,683 5.714,684 6.627,685 7.502,686 8.423,687 9.308,688 10.234,689 11.126,690 12.055,691 4.8,692 1,700 1,709 5,714 1,716 6,738 42,739 11,740 1,741 26,743 44,744 20,745 6,746 1,747 5,748 3,752 3,753 4,759 2,760 1,762 1,763 2,764 1,766 2,767 3,768 11,769 6,770 1,772 3,778 1,782 5,785 1,786 1,789 18,790 4,791 2,792 4,797 2,803 0.667,804 2,823 3,827 1,830 2,833 1,836 1,845 1,846 2,848 1,854 1,855 2,859 2,862 24,863 1,869 2,872 1,874 1,876 1,877 2,882 1,884 3,886 4.8,889 1,890 1,893 13.083,894 8.367,895 5.222,896 2.494,898 2.763,899 1.392,900 0.952,901 4.12,902 9.819,903 3.611,904 4.151,905 4.68,906 5.245,907 5.715,908 5.998,909 6.362,910 6.698,911 7.011,912 7.316,913 0.833,914 40,915 8.891,917 3.866,918 7.899,919 16.709,921 13.921,924 2.399,925 57.583,928 1,929 188.338,930 145.512,931 63.957,933 36.145,936 145.512,937 224.482,938 63.957,939 17.65,940 37.966,941 47.381,942 63.123,943 45.431,944 34.061,945 188.338,947 188.338,948 209.468,949 36.145,952 164.795,953 48.687,954 11,956 86.676,957 83.488,958 39.305,960 188.338,961 100.101,962 145.512,965 188.338,966 29.817,967 65.032,968 50.663,969 100.101,970 188.338,971 100.101,972 145.512,973 0.59,974 0.341,975 0.194,976 0.105,977 19,978 9,981 1,982 1.125,983 3.43,984 200.849,985 0.125,986 16,987 104.039,993 16.217,994 6.098,995 3.198,997 100.101,998 9.454,1003 0.825,1005 32.897,1006 433.951,1007 36,1013 12.656,1017 1.289,1020 41.927,1021 46.737,1022 0.269,1023 0.703,1024 0.797,1025 0.849,1026 0.861,1027 0.861,1028 4.909,1029 1.041,1030 5.759,1031 3.175,1032 4.344,1033 4.836,1034 3.109,1035 6.648,1036 4.316,1037 6.168,1038 1,1039 7.371,1040 2.334,1041 4.205,1042 4.649,1043 1.63,1044 7.877,1045 4.179,1046 7.516,1047 0.572,1048 9.091,1049 2.136,1050 6.061,1051 6.988,1052 4.336,1053 10.919,1054 6.018,1055 8.89,1056 0.024,1057 10.874,1058 1.326,1059 6.686,1060 7.533,1061 3.148,1062 12.901,1063 6.647,1064 10.29,1065 -0.174,1066 12.696,1067 0.05,1068 8.096,1069 9.387,1070 5.836,1071 15.546,1072 8.043,1073 11.709,1074 -0.388,1075 14.543,1076 -0.483,1077 9.046,1078 10.294,1079 4.837,1080 17.815,1081 8.995,1082 13.143,1083 -0.513,1084 16.408,1085 -0.9,1086 10.304,1087 11.922,1088 7.45,1089 20.337,1090 10.243,1091 3.388,1092 -0.791,1093 18.286,1094 -1.354,1095 11.395,1096 13.029,1097 6.628,1098 22.721,1099 11.332,1100 3.066,1101 12.023,1102 20.175,1103 -1.792,1104 12.605,1105 14.539,1106 9.108,1107 25.203,1108 12.534,1109 2.517,1110 10.815,1111 22.071,1112 4.061,1113 13.756,1114 15.762,1115 8.451,1116 27.635,1117 13.681,1118 2.469,1119 8.348,1120 23.974,1121 3.595,1122 14.954,1123 17.209,1124 10.782,1125 30.106,1126 14.873,1127 2.085,1128 6.996,1129 25.882,1130 3.485,1131 16.133,1132 18.5,1133 10.274,1134 32.558,1135 16.047,1136 1.753,1137 6.451,1138 27.795,1139 3.009,1140 17.33,1141 19.916,1142 12.464,1143 35.028,1144 17.238,1145 1.486,1146 5.032,1147 29.712,1148 2.548,1149 18.523,1150 21.247,1151 12.087,1152 37.491,1153 18.425,1154 5483,1155 9080,1156 16.701,1157 29.012,1158 42.042,1159 43.379,1160 40.786,1161 38.815,1162 38.802,1163 50.132,1164 13.675,1165 117.37,1166 38.213,1167 5.613,1168 6.179,1169 6.824,1170 5.471,1171 5.388,1172 7.061,1173 4.623,1174 19.568,1175 5.369,1176 13.321,1177 1.617,1178 1.668,1179 1.569,1180 1.493,1181 1.492,1182 1.928,1183 0.526,1184 4.514,1185 1.47,1186 4.026,1187 4.044,1188 3.981,1189 3.948,1190 7.427,1191 3.951,1192 3.882,1193 3.91,1194 3.815,1195 3.822,1196 6.82,1197 3.817,1198 3.686,1199 3.727,1200 3.608,1201 3.583,1202 5.131,1203 3.583,1204 3.313,1205 3.358,1206 3.241,1207 3.176,1208 4.876,1209 3.188,1210 3.201,1211 3.232,1212 3.126,1213 3.097,1214 4.558,1215 3.098,1216 3.082,1217 3.127,1218 3.014,1219 2.867,1220 4.417,1221 2.885,1222 2.928,1223 3.037,1224 2.784,1225 2.735,1226 4.169,1227 2.715,1228 2.874,1229 3.009,1230 2.687,1231 2.618,1232 3.674,1233 2.649,1234 0.179,1235 0.161,1236 0.27,1237 0.169,1238 0.13,1239 4.646,1240 0.156,1241 4.179,1242 0.091,1243 7.022,1244 0.462,1245 4.382,1246 0.13,1247 3.388,1248 4.061,1249 2.358,1250 12.023,1251 3.369,1252 1.974,1253 1.956,1254 2.09,1255 2.079,1256 1.404,1257 2.08,1258 1.889,1259 1.863,1260 2.017,1261 1.968,1262 1.077,1263 1.986,1264 1.669,1265 1.634,1266 1.805,1267 1.809,1268 0.997,1269 1.811,1270 1.259,1271 1.221,1272 1.463,1273 1.471,1274 0.561,1275 1.468,1276 1.186,1277 1.157,1278 1.417,1279 1.327,1280 0.556,1281 1.335,1282 1.019,1283 0.969,1284 1.338,1285 1.254,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.306,1291 1.239,1292 0.22,1293 1.268,1294 0.886,1295 0.804,1296 1.181,1297 1.174,1298 0.218,1299 1.152,1300 3.97,1302 5.323,1304 6.878,1306 8.536,1308 10.25,1310 4.033,1313 5.912,1315 1.022,1318 5.608,1320 -0.623,1322 -0.183,1324 9.439,1325 8.153,1326 27.687,1327 60.98,1328 159.204,1329 180.603,1330 192.213,1331 194.968,1332 194.968,1333 55.198,1334 7.056,1335 76.11,1336 76.11,1337 18,1338 12.565,1339 3.585,1340 3.459,1341 38.963,1342 72,1343 84,1344 0.262,1345 172.744,1346 319.76,1347 413.256,1348 9762,1350 17.32,1351 0.722,1352 0.572,1353 17.32,1354 13.719,1355 11.41,1356 0.439,1357 0.301,1358 7.757,1359 11.142,1360 7.45,1361 6.229,1362 11.41,1363 7.816,1364 10.918,1365 0.287,1366 0.18,1367 10.918,1368 6.838,1369 8.445,1370 0.172,1371 0.086,1372 8.445,1373 4.21,1374 7.789,1375 0.115,1376 0.046,1377 7.789,1378 3.106,1379 5.722,1380 0.067,1381 0.025,1382 5.722,1383 2.087,1384 0.395,1385 70.495,1386 0.245,1387 22.894,1388 0.77,1389 128,1390 358.428,1391 136.143,1392 356.717,1393 480.91,1394 330,1395 151,1396 349.163,1397 158.978,1398 359.6,1399 520.68,1400 336,1401 4.417}
{0 CHEMBL1404962,1 1.536,2 10.192,3 2.852,4 8.134,5 98.589,6 6.695,7 0.214,8 4.059,9 4.197,10 3.52,11 3.555,12 5.047,13 3.515,14 4.671,15 4.873,16 3.861,17 3.973,18 5.634,19 3.894,20 5.049,21 5.304,22 3.978,23 4.174,24 5.971,25 4.064,26 5.117,27 5.39,28 3.865,29 4.123,30 6.069,31 3.984,32 5,33 5.278,34 3.865,35 3.996,36 6.087,37 3.891,38 4.866,39 5.095,40 3.861,41 3.954,42 5.995,43 3.887,44 4.888,45 5.131,46 3.815,47 3.926,48 6.105,49 3.84,50 4.823,51 5.086,52 3.658,53 3.841,54 5.954,55 3.726,56 0.021,57 0.848,58 12.575,59 5.155,60 5.969,61 7.271,62 0.217,63 1.375,64 24.293,65 8.629,66 28.228,67 12.751,68 0.443,69 1.766,70 36.863,71 11.908,72 63.633,73 17.657,74 0.607,75 1.739,76 40.269,77 12.312,78 79.701,79 18.388,80 0.675,81 1.466,82 36.067,83 10.616,84 107.829,85 15.909,86 0.426,87 1.477,88 31.405,89 9.524,90 76.396,91 13.445,92 0.646,93 1.469,94 32.517,95 9.398,96 114.227,97 13.708,98 0.589,99 1.266,100 30.161,101 8.544,102 99.922,103 13.173,104 10,105 37,106 0.259,107 0.534,108 0.724,109 0.82,110 0.852,111 0.852,112 3.304,113 1.037,114 -3.64,115 -3.61,116 -3.44,120 37,122 7,126 3,128 2,143 4,144 1,145 1,159 2,174 9,177 3,180 2,182 3,185 9,188 1,189 2,192 1,194 3,197 7,200 1,201 4,204 1,206 2,209 3,213 1,214 4,217 2,218 1,219 1,222 3,227 6,232 2,235 4,240 7,245 5,247 1,252 7,257 5,260 2,264 3,269 3,271 4,274 1100,275 17.621,276 17.621,277 17.621,278 17.621,279 17.621,280 16.532,281 19.395,282 10.77,283 17.84,284 13.849,285 13.849,286 13.849,287 13.849,288 13.849,289 12.188,290 25.097,291 5.16,292 14.206,293 4.219,294 2.586,295 1.463,296 0.889,297 0.704,298 0.704,299 3.988,305 1,306 1,307 1,308 562,309 3,313 173.092,314 97.964,320 1.592,321 35.497,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 57,333 265,334 4.217,335 3.819,336 6.486,337 4.01,338 3.046,339 3.781,340 1.959,341 10.108,342 2.935,343 4.064,344 3.551,345 6.018,346 3.73,347 2.758,348 3.247,349 1.907,350 8.544,351 2.674,352 3.709,353 3.213,354 5.475,355 3.558,356 2.583,357 2.837,358 0.922,359 7.361,360 2.512,361 3.284,362 2.748,363 5.025,364 3.1,365 2.085,366 2.315,367 0.241,368 5.7,369 2.106,370 3.184,371 2.525,372 4.807,373 2.919,374 1.954,375 2.262,376 0.149,377 5.404,378 1.867,379 2.87,380 1.933,381 4.167,382 2.58,383 1.588,384 2.024,385 0.111,386 3.7,387 1.573,388 2.792,389 1.712,390 3.951,391 2.411,392 1.414,393 1.877,395 3.41,396 1.407,397 2.598,398 1.653,399 3.685,400 2.371,401 1.414,402 1.596,404 3.184,405 1.337,406 2.421,407 1.526,408 3.599,409 2.339,410 1.377,411 1.409,413 2.968,414 1.318,415 2.247,416 1.247,417 3.414,418 2.247,419 1.247,420 1.247,422 2.606,423 1.247,424 1.76,425 1.238,426 3.14,427 1.512,428 0.518,429 0.586,431 1.296,432 0.509,433 1.3,434 0.689,435 2.858,436 1.106,437 0.141,438 0.151,440 0.331,441 0.134,442 1.204,443 0.569,444 2.415,445 0.984,451 0.874,452 0.368,453 2.326,454 0.586,455 -0.37,456 -0.42,458 -0.835,459 -0.342,460 0.712,461 0.085,462 2,463 0.555,464 -0.445,465 -0.445,467 -1,468 -0.445,469 12.152,470 0.467,471 0.541,472 0.021,473 25.5,474 0.981,475 9,476 0.346,477 16.5,478 0.635,479 26.81,480 1.031,481 30.448,482 0.564,483 18.67,484 0.718,485 4.679,486 0.18,487 7.952,488 0.306,489 0.078,491 0.28,494 1,496 0.626,497 1.31,498 0.87,499 1.239,500 0.49,501 1.119,502 0.624,503 1.213,504 0.978,505 1.225,506 0.487,507 1.172,508 0.89,509 0.999,510 0.975,511 1.011,512 0.831,513 1.005,514 1.01,515 0.988,516 1.038,517 1.047,518 1.047,519 1.049,520 0.96,521 0.765,522 0.823,523 0.773,524 1.052,525 0.773,526 1.559,527 1.149,528 1.117,529 1.018,530 1.666,531 0.99,532 1.378,533 1.098,534 1.121,535 1.019,536 1.404,537 1.02,538 1.026,539 0.888,540 1.038,541 0.963,542 0.988,543 0.991,544 4.5,545 0.055,546 2.444,547 1.563,548 1.441,549 0.552,550 0.66,551 0.355,552 0.176,553 0.151,554 7827,555 18478,556 2.059,557 51.9,558 8,559 12,562 2,563 2,564 4,567 1.693,568 1.95,569 3.335,570 0.251,571 1,572 1,575 82.965,576 1.536,577 3.169,578 4.292,579 4.866,580 5.051,581 5.051,582 2.724,583 4.316,584 4.674,585 3.501,586 1137.91,587 8.111,588 14373.3,590 1,592 1,593 310.764,594 1.3,595 4.642,596 0.161,597 0.004,598 0.066,599 0.039,600 0.044,601 0.016,602 0.019,603 0.011,604 0.007,605 0.007,606 0.373,607 0.33,608 1,609 0.54,610 127.297,611 -0.029,612 -0.109,613 0.038,614 -0.02,615 0.006,616 0.015,617 0.056,618 -0.14,619 -0.048,620 -0.139,621 0.059,622 -0.119,623 -0.025,624 -0.033,625 -0.01,626 -0.022,627 -0.025,628 -0.015,630 -0.032,631 -0.051,632 -0.094,633 -0.043,634 -0.086,635 0.094,636 0.069,637 0.175,638 0.144,639 0.062,640 0.17,641 -0.19,642 -0.078,643 -0.073,644 -0.029,645 -0.173,646 -0.027,647 -0.012,648 -0.008,649 -0.074,650 -0.053,651 0.034,652 -0.071,653 0.049,654 0.019,655 -0.037,656 -0.033,657 0.101,658 -0.047,659 1.944,660 5.972,661 0.731,662 21.87,663 0.999,664 1.142,665 2.411,666 5.813,667 0.625,668 3.367,669 3.638,670 3.85,671 4.06,672 4.248,673 4.248,674 4.248,675 4.317,676 4.357,677 4.317,678 6.236,679 0.588,680 361.51,681 3.367,682 4.875,683 5.694,684 6.541,685 7.377,686 8.23,687 9.074,688 9.929,689 10.778,690 11.635,691 5.6,694 1,698 2,709 4,714 2,716 6,737 1,738 54,739 8,740 1,741 28,743 56,744 20,745 6,746 2,747 4,752 3,753 3,763 8,766 9,768 8,769 12,772 2,778 2,782 2,785 1,786 1,787 1,789 28,790 6,791 2,792 6,797 3,803 1,804 2,823 2,824 1,838 2,851 1,855 3,861 1,862 26,869 10,871 2,874 2,875 1,885 1,886 3.7,889 2,893 13.333,894 9.176,895 5.833,896 3.615,898 1.085,899 1.155,900 0.948,901 6.899,902 8.089,903 3.526,904 3.942,905 4.287,906 4.653,907 5.021,908 4.934,909 5.032,910 5.248,911 5.434,912 5.51,913 0.857,914 40,915 9.802,917 4.24,918 7.859,919 18.905,921 15.923,924 2.359,925 61.333,928 1,929 306.049,930 83.68,931 39.146,933 50.29,934 14.96,936 83.68,937 356.339,938 54.106,940 60.08,941 37.905,942 59.699,943 15.431,944 14.96,945 306.049,947 306.049,948 122.826,949 65.25,952 273.924,953 97.374,956 63.205,957 59.621,960 321.009,961 89.436,962 83.68,965 306.049,966 45.775,967 41.029,968 36.022,969 65.25,970 306.049,971 104.396,972 83.68,973 0.568,974 0.324,975 0.174,976 0.096,977 16,978 7,979 0.089,980 5,982 1,983 3.8,984 209.527,986 19,987 116.211,993 19.16,994 9.362,995 5.442,997 104.396,998 6.591,1003 0.275,1005 36.022,1006 494.124,1007 33,1013 24.846,1017 -0.235,1020 53.96,1021 61.651,1022 0.267,1023 0.551,1024 0.746,1025 0.846,1026 0.878,1027 0.878,1028 4.758,1029 1.414,1030 5.645,1031 3.41,1032 4.317,1033 4.625,1034 2.718,1035 6.389,1036 4.266,1037 5.878,1038 1.377,1039 7.16,1040 3.184,1041 3.761,1042 4.248,1043 2.221,1044 7.154,1045 3.672,1046 7.132,1047 1.247,1048 8.778,1049 2.968,1050 5.838,1051 6.52,1052 3.664,1053 10.249,1054 5.725,1055 8.411,1056 0.518,1057 10.458,1058 2.606,1059 6.111,1060 6.956,1061 3.759,1062 11.88,1063 5.952,1064 9.726,1065 0.141,1066 12.18,1067 1.296,1068 7.631,1069 8.735,1070 4.823,1071 14.469,1072 7.449,1073 11.062,1075 13.931,1076 0.331,1077 8.319,1078 9.562,1079 5.184,1080 16.466,1081 8.089,1082 12.416,1083 -0.37,1084 15.703,1086 9.591,1087 11.137,1088 6.065,1089 18.871,1090 9.335,1091 3.046,1092 -0.445,1093 17.491,1094 -0.835,1095 10.486,1096 12.163,1097 6.562,1098 21.032,1099 10.182,1100 2.758,1101 10.108,1102 19.292,1103 -1,1104 11.649,1105 13.638,1106 7.345,1107 23.368,1108 11.315,1109 2.583,1110 8.544,1111 21.102,1112 3.781,1113 12.644,1114 14.775,1115 7.915,1116 25.604,1117 12.266,1118 2.085,1119 7.361,1120 22.92,1121 3.247,1122 13.761,1123 16.195,1124 8.644,1125 27.916,1126 13.349,1127 1.954,1128 5.7,1129 24.745,1130 2.837,1131 14.805,1132 17.4,1133 9.255,1134 30.188,1135 14.352,1136 1.588,1137 5.404,1138 26.575,1139 2.315,1140 15.905,1141 18.786,1142 9.954,1143 32.493,1144 15.416,1145 1.414,1146 3.7,1147 28.409,1148 2.262,1149 16.974,1150 20.033,1151 10.587,1152 34.782,1153 16.445,1154 7602,1155 11844,1156 18.781,1157 33.762,1158 40.657,1159 42.493,1160 41.824,1161 40.29,1162 40.249,1163 46.664,1164 10.581,1165 109.221,1166 39.239,1167 5.217,1168 5.819,1169 6.285,1170 5.078,1171 5.046,1172 6.781,1173 3.431,1174 16.883,1175 4.935,1176 10.968,1177 1.452,1178 1.518,1179 1.494,1180 1.439,1181 1.437,1182 1.667,1183 0.378,1184 3.901,1185 1.401,1186 3.978,1187 4.024,1188 3.91,1189 3.87,1190 8.201,1191 3.872,1192 3.876,1193 3.928,1194 3.774,1195 3.757,1196 7.433,1197 3.748,1198 3.797,1199 3.846,1200 3.694,1201 3.631,1202 7.424,1203 3.644,1204 3.515,1205 3.574,1206 3.405,1207 3.298,1208 4.654,1209 3.312,1210 3.278,1211 3.364,1212 3.091,1213 3.125,1214 4.334,1215 3.097,1216 3.258,1217 3.337,1218 3.064,1219 3.1,1220 4.274,1221 3.082,1222 3.201,1223 3.272,1224 3.057,1225 3.006,1226 3.912,1227 3.007,1228 3.042,1229 3.082,1230 2.901,1231 2.795,1232 3.828,1233 2.825,1234 0.151,1235 0.136,1236 0.232,1237 0.143,1238 0.109,1239 4.217,1240 0.135,1241 3.819,1242 0.07,1243 6.486,1244 0.361,1245 4.01,1246 0.105,1247 3.046,1248 3.781,1249 1.959,1250 10.108,1251 2.935,1252 1.917,1253 1.886,1254 2.038,1255 2.061,1256 1.341,1257 2.054,1258 1.781,1259 1.732,1260 1.975,1261 1.952,1262 1.336,1263 1.956,1264 1.712,1265 1.649,1266 1.968,1267 1.896,1268 1.286,1269 1.912,1270 1.709,1271 1.647,1272 1.907,1273 1.873,1274 1.083,1275 1.906,1276 1.395,1277 1.335,1278 1.649,1279 1.623,1280 0.936,1281 1.632,1282 1.165,1283 1.095,1284 1.439,1285 1.408,1286 0.635,1287 1.417,1288 1.002,1289 0.955,1290 1.271,1291 1.293,1292 0.528,1293 1.285,1294 0.86,1295 0.804,1296 1.253,1297 1.104,1298 0.518,1299 1.153,1300 4.043,1302 5.323,1304 6.786,1305 2.708,1306 8.338,1307 4.977,1308 9.939,1312 13.972,1315 8.376,1317 5.93,1320 -0.328,1321 1.907,1326 31.726,1327 82.965,1328 171.147,1329 231.744,1330 262.764,1331 272.764,1332 272.764,1333 67.718,1334 7.004,1335 61.44,1336 61.44,1337 19,1338 12.19,1339 3.17,1340 2.585,1341 44.189,1342 94,1343 89,1344 0.221,1345 195.374,1346 350.03,1347 468.472,1348 10638,1349 1.9,1350 18.355,1351 0.706,1352 0.584,1353 17.485,1354 15.177,1355 12.631,1356 0.451,1357 0.346,1358 9.557,1359 12.152,1360 9.416,1361 7.76,1362 12.22,1363 9.678,1364 11.024,1365 0.298,1366 0.198,1367 10.506,1368 7.329,1369 8.85,1370 0.192,1371 0.117,1372 8.317,1373 5.372,1374 7.174,1375 0.126,1376 0.069,1377 6.893,1378 3.905,1379 5.757,1380 0.083,1381 0.041,1382 5.532,1383 2.796,1384 0.345,1385 79.244,1386 0.231,1387 25.141,1388 0.611,1389 130,1390 405.893,1391 144.449,1392 361.367,1393 470.56,1394 336,1395 148,1396 322.733,1397 161.918,1398 317.684,1399 461.61,1400 300,1401 4.619}
{0 CHEMBL1405271,1 1.431,2 9.45,3 4.078,4 16.632,5 87.226,6 7.011,7 0.273,8 3.787,9 3.928,10 3.314,11 3.376,12 4.71,13 3.303,14 4.367,15 4.56,16 3.671,17 3.791,18 5.22,19 3.679,20 4.681,21 4.95,22 3.632,23 3.888,24 5.449,25 3.714,26 4.589,27 4.876,28 3.508,29 3.74,30 5.348,31 3.546,32 4.414,33 4.702,34 3.446,35 3.586,36 5.242,37 3.37,38 4.164,39 4.419,40 3.387,41 3.452,42 5.101,43 3.248,44 3.986,45 4.214,46 3.147,47 3.352,48 4.888,49 3.166,50 3.975,51 4.198,52 3.037,53 3.373,54 4.724,55 3.199,56 0.076,57 0.611,58 9.483,59 3.956,60 6.739,61 5.589,62 0.141,63 1.032,64 18.548,65 6.88,66 13.988,67 10.073,68 0.223,69 1.293,70 27.935,71 9.542,72 23.56,73 13.467,74 0.197,75 1.163,76 25.806,77 8.488,78 20.89,79 11.852,80 0.199,81 1.01,82 25.463,83 7.648,84 21.865,85 9.826,86 0.182,87 0.845,88 22.493,89 6.327,90 21.32,91 7.509,92 0.132,93 0.699,94 17.439,95 5.429,96 17.542,97 6.649,98 0.076,99 0.651,100 13.81,101 5.426,102 10.051,103 7.208,104 2,105 29,106 0.256,107 0.565,108 0.706,109 0.813,110 0.846,111 0.846,112 3.057,113 1.084,114 -4.59,115 -4.51,116 -4.25,120 39,122 7,128 1,143 4,144 2,158 1,160 1,170 1,174 12,177 2,181 1,182 2,185 14,189 3,192 1,194 4,197 9,201 2,206 6,209 3,214 3,219 6,227 2,232 5,240 1,245 2,247 4,257 1,260 10,271 12,274 464,275 13.845,276 13.845,277 13.845,278 13.845,279 13.845,280 12.717,281 14.17,282 8.49,283 14.065,284 10.898,285 10.898,286 10.898,287 10.898,288 10.898,289 9.171,290 17.817,291 4.069,292 11.268,293 3.927,294 2.2,295 1.414,296 0.817,297 0.634,298 0.634,299 3.742,305 1,306 1,307 1,308 413,309 2.828,312 43.365,313 120.922,316 81.179,320 1.405,321 10.076,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 41.5,333 189,334 4.403,335 3.783,336 6.526,337 4.054,338 3.063,339 3.998,340 1.737,341 10.265,342 3.037,343 3.777,344 3.317,345 5.486,346 3.564,347 2.623,348 2.968,349 0.782,350 7.396,351 2.482,352 3.485,353 2.556,354 5.141,355 3.126,356 2.187,357 2.71,358 0.142,359 6.081,360 2.053,361 3.274,362 2.425,363 4.791,364 2.896,365 1.946,366 2.319,368 5.375,369 1.818,370 2.924,371 1.678,372 4.18,373 2.546,374 1.546,375 2.085,377 3.756,378 1.546,379 2.664,380 1.53,381 3.605,382 2.4,383 1.418,384 1.695,386 3.035,387 1.389,388 2.43,389 1.315,390 3.568,391 2.178,392 1.19,393 1.422,395 2.786,396 1.173,397 2,398 1.125,399 3.247,400 2,401 1,402 1,404 2.136,405 1,406 1.965,407 1,408 3.22,409 1.747,410 0.768,411 0.879,413 1.758,414 0.748,415 1.534,416 0.709,417 2.951,418 1.342,419 0.363,420 0.404,422 0.857,423 0.354,424 1,425 0.427,426 2.462,427 0.714,428 -0.205,429 -0.226,431 -0.491,432 -0.185,433 0.789,434 -0.077,435 2,436 0.258,437 -0.696,438 -0.909,440 -1.673,441 -0.642,442 0.604,443 -0.667,444 2,445 0.148,446 -0.848,447 -1,449 -2.078,450 -0.843,451 0.232,452 -0.786,453 1.8,455 -1,456 -1.109,458 -2.255,459 -0.908,460 0.075,461 -0.943,462 1.555,463 -0.073,464 -1,465 -1.169,467 -2.347,468 -1,469 10.033,470 0.502,471 0.346,472 0.017,473 20.5,474 1.025,475 8.5,476 0.425,477 12,478 0.6,479 18.366,480 0.918,481 21.767,482 0.531,483 11.178,484 0.559,485 3.539,486 0.177,487 6.288,488 0.314,489 0.083,491 0.249,496 0.871,497 1.058,498 0.736,499 0.874,500 0.649,501 0.961,502 0.711,503 1.253,504 0.783,505 1.066,506 0.569,507 1.109,508 1.005,509 1.062,510 0.905,511 0.975,512 0.859,513 0.995,514 1.321,515 1.028,516 0.898,517 0.874,518 1.078,519 0.928,520 1.644,521 1.02,522 1.287,523 1.021,524 1.609,525 0.877,526 2.156,527 1.055,528 1.821,529 1.257,530 2.314,531 0.911,532 1.864,533 1.017,534 1.787,535 1.322,536 2.003,537 1.064,538 0.888,539 0.974,540 1.158,541 1.129,542 1.006,543 1.13,544 3,545 0.021,546 1.778,547 1.104,548 0.573,549 0.264,550 0.313,551 0.141,552 0.12,553 0.044,554 4315,555 8558,556 2.138,557 51.2,558 8,559 5,562 2,563 2,564 4,567 1.611,568 2.069,569 3.229,570 0.311,572 1,575 58.666,576 1.431,577 3.157,578 3.944,579 4.54,580 4.723,581 4.723,582 2.666,583 3.822,584 4.298,585 3.36,586 638.446,587 7.308,588 6738.3,590 1,592 1,593 219.66,594 1.076,595 4.283,596 0.136,597 0.002,598 0.061,599 0.042,600 0.027,601 0.015,602 0.018,603 0.009,604 0.008,605 0.003,606 0.324,607 0.67,608 1,609 0.432,610 90.149,611 0.137,612 0.1,613 0.03,614 0.044,615 0.121,616 0.044,617 0.202,618 -0.198,619 0.013,620 -0.153,621 0.203,622 -0.118,623 0.07,624 -0.087,625 -0.001,626 -0.06,627 0.086,628 -0.041,629 -0.071,630 -0.054,631 0.046,632 0.033,633 -0.028,634 0.004,635 -0.142,636 0.027,637 0.021,638 0.079,639 -0.137,640 0.072,641 -0.335,642 0.132,643 -0.125,644 0.061,645 -0.32,646 0.064,647 -0.407,648 0.146,649 -0.292,650 -0.063,651 -0.324,652 -0.063,653 -0.173,654 0.04,655 -0.175,656 -0.088,657 -0.134,658 -0.108,659 1.006,660 1.672,661 0.75,662 14.02,663 0.984,664 1.126,665 3.36,666 11.289,667 0.671,668 3.135,669 3.401,670 3.638,671 3.871,672 3.989,673 3.892,674 3.951,675 4.007,676 3.829,677 3.892,678 5.641,679 0.61,680 287.47,681 3.135,682 4.635,683 5.46,684 6.308,685 7.149,686 8.004,687 8.852,688 9.71,689 10.563,690 11.424,691 7.3,698 2,700 1,709 4,714 2,716 6,738 41,739 8,740 1,741 22,743 43,744 16,745 6,746 2,747 4,748 1,752 3,753 4,755 1,757 1,763 8,766 8,768 8,769 8,772 2,779 1,781 1,782 2,786 1,789 21,790 3,791 2,792 4,793 1,797 3,803 0.667,822 1,823 2,826 1,855 2,857 1,862 20,869 7,871 2,874 1,893 9.667,894 7.033,895 4.472,896 2.808,898 1.756,899 1.268,900 0.982,901 4.56,902 8.307,903 3.332,904 3.795,905 4.245,906 4.726,907 5.129,908 5.202,909 5.482,910 5.697,911 5.684,912 5.84,913 1,914 26,915 7.414,917 3.087,918 7.408,919 14.873,921 12.552,924 1.908,925 38.167,926 0.002,928 1,929 223.651,930 110.251,931 52.562,935 45.192,936 65.059,937 223.651,938 52.562,940 53.641,941 37.905,942 2.757,943 23.034,944 0.285,945 223.651,946 45.192,947 223.651,948 117.621,950 45.192,952 176.567,953 47.084,956 70.304,957 47.317,959 45.192,960 223.651,961 52.562,962 110.251,965 223.651,966 27.154,967 37.905,968 35.899,969 61.855,970 223.651,971 52.562,972 110.251,973 0.565,974 0.323,975 0.179,976 0.093,977 14,978 5,979 0.047,980 2,981 1,982 1.133,983 3.427,984 142.82,985 0.133,986 15,987 82.439,990 1,993 13.872,994 6.574,995 3.528,997 52.562,998 8.472,1003 2.652,1005 35.899,1006 386.464,1007 27,1014 5.339,1016 4.493,1017 1.78,1020 40.334,1021 46.152,1022 0.267,1023 0.589,1024 0.736,1025 0.847,1026 0.882,1027 0.882,1028 4.549,1029 1,1030 5.398,1031 2.786,1032 4.078,1033 4.477,1034 1.994,1035 6.138,1036 4.017,1037 5.684,1038 0.768,1039 6.903,1040 2.136,1041 3.434,1042 4.06,1043 1.305,1044 6.899,1045 3.303,1046 6.948,1047 0.363,1048 8.511,1049 1.758,1050 5.587,1051 6.474,1052 2.649,1053 10.001,1054 5.476,1055 8.247,1056 -0.205,1057 10.185,1058 0.857,1059 5.832,1060 6.939,1061 2.523,1062 11.695,1063 5.678,1064 9.585,1065 -0.696,1066 11.905,1067 -0.491,1068 7.393,1069 8.813,1070 3.546,1071 14.277,1072 7.25,1073 10.949,1074 -0.848,1075 13.658,1076 -1.673,1077 8.077,1078 9.716,1079 3.713,1080 16.352,1081 7.916,1082 12.334,1083 -1,1084 15.436,1085 -2.078,1086 9.377,1087 11.35,1088 4.547,1089 18.765,1090 9.218,1091 3.063,1092 -1,1093 17.233,1094 -2.255,1095 10.281,1096 12.481,1097 4.876,1098 20.993,1099 10.116,1100 2.623,1101 10.265,1102 19.045,1103 -2.347,1104 11.465,1105 13.998,1106 5.596,1107 23.348,1108 11.3,1109 2.187,1110 7.396,1111 20.869,1112 3.998,1113 12.477,1114 15.248,1115 6.017,1116 25.636,1117 12.309,1118 1.946,1119 6.081,1120 22.703,1121 2.968,1122 13.614,1123 16.704,1124 6.669,1125 27.973,1126 13.444,1127 1.546,1128 5.375,1129 24.544,1130 2.71,1131 14.677,1132 18.017,1133 7.143,1134 30.285,1135 14.505,1136 1.418,1137 3.756,1138 26.392,1139 2.319,1140 15.795,1141 19.442,1142 7.755,1143 32.616,1144 15.622,1145 1.19,1146 3.035,1147 28.244,1148 2.085,1149 16.884,1150 20.788,1151 8.261,1152 34.937,1153 16.707,1154 4110,1155 5903,1156 15.197,1157 27.517,1158 32.367,1159 33.471,1160 32.704,1161 32.343,1162 32.207,1163 38.959,1164 5.323,1165 86.891,1166 31.201,1167 5.403,1168 5.783,1169 6.328,1170 5.093,1171 5.063,1172 6.998,1173 3.075,1174 16.922,1175 5.037,1176 5.227,1177 1.471,1178 1.521,1179 1.487,1180 1.47,1181 1.464,1182 1.771,1183 0.242,1184 3.95,1185 1.418,1186 4.018,1187 4.051,1188 3.992,1189 3.956,1190 4.954,1191 3.952,1192 3.873,1193 3.933,1194 3.888,1195 3.757,1196 4.754,1197 3.74,1198 3.52,1199 3.584,1200 3.658,1201 3.397,1202 4.396,1203 3.364,1204 3.375,1205 3.438,1206 3.323,1207 3.286,1208 4.245,1209 3.236,1210 3.111,1211 3.206,1212 2.937,1213 2.941,1214 3.83,1215 2.91,1216 3.095,1217 3.186,1218 2.906,1219 2.915,1220 3.663,1221 2.898,1222 2.921,1223 2.979,1224 2.866,1225 2.84,1226 3.602,1227 2.8,1228 2.619,1229 2.718,1230 2.571,1231 2.427,1232 3.474,1233 2.411,1234 0.2,1235 0.172,1236 0.297,1237 0.184,1238 0.139,1239 4.403,1240 0.182,1241 3.783,1242 0.079,1243 6.526,1244 0.467,1245 4.054,1246 0.138,1247 3.063,1248 3.998,1249 1.737,1250 10.265,1251 3.037,1252 1.894,1253 1.87,1254 2.092,1255 2.027,1256 1.476,1257 2.053,1258 1.87,1259 1.814,1260 2.003,1261 1.963,1262 1.174,1263 1.977,1264 1.568,1265 1.509,1266 1.774,1267 1.764,1268 1.031,1269 1.768,1270 1.343,1271 1.289,1272 1.529,1273 1.555,1274 0.825,1275 1.574,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.824,1281 1.429,1282 1.1,1283 1.03,1284 1.313,1285 1.334,1286 0.405,1287 1.351,1288 0.955,1289 0.91,1290 1.124,1291 1.103,1292 0.226,1293 1.142,1294 0.799,1295 0.73,1296 1.107,1297 0.983,1298 0.175,1299 1.03,1300 3.807,1302 5.081,1303 2.398,1304 6.55,1305 4.727,1306 8.103,1307 6.823,1308 9.701,1315 8.502,1317 6.401,1320 0.528,1326 24.993,1327 58.666,1328 129.447,1329 161.685,1330 186.15,1331 193.66,1332 193.66,1333 25.187,1334 6.551,1335 36.42,1336 68.51,1337 17,1338 11.975,1339 3.17,1340 2.585,1341 30.188,1342 69,1343 58,1344 0.216,1345 158.945,1346 275.69,1347 379.585,1348 5876,1350 13.786,1351 0.689,1352 0.625,1353 14.286,1354 12.508,1355 9.826,1356 0.447,1357 0.361,1358 7.528,1359 9.382,1360 7.354,1361 6.096,1362 10.115,1363 7.949,1364 8.468,1365 0.292,1366 0.208,1367 8.876,1368 6.044,1369 6.972,1370 0.188,1371 0.119,1372 7.235,1373 4.401,1374 5.824,1375 0.124,1376 0.071,1377 6.074,1378 3.319,1379 4.479,1380 0.085,1381 0.042,1382 4.703,1383 2.227,1384 0.343,1385 63.162,1386 0.257,1387 20.311,1388 0.575,1389 102,1390 221.171,1391 121.475,1392 245.164,1393 336.93,1394 230,1395 117,1396 239.795,1397 131.236,1398 252.148,1399 365.14,1400 239,1401 4.057}
{0 CHEMBL1405344,1 1.365,2 8.818,3 3.945,4 15.563,5 88.858,6 6.962,7 0.5,8 3.806,9 3.928,10 3.327,11 3.408,12 4.872,13 3.359,14 4.337,15 4.52,16 3.708,17 3.805,18 5.346,19 3.743,20 4.607,21 4.791,22 3.778,23 3.994,24 5.646,25 3.891,26 4.795,27 5.064,28 3.618,29 3.973,30 5.685,31 3.821,32 4.639,33 4.906,34 3.474,35 3.824,36 5.583,37 3.675,38 4.405,39 4.656,40 3.328,41 3.61,42 5.412,43 3.482,44 4.148,45 4.362,46 3.118,47 3.419,48 5.14,49 3.293,50 4.171,51 4.483,52 2.941,53 3.288,54 4.897,55 3.142,56 0.029,57 0.574,58 8.895,59 3.974,60 7.041,61 5.43,62 0.142,63 0.953,64 16.238,65 6.536,66 16.871,67 9.2,68 0.195,69 1.224,70 21.453,71 8.799,72 28.009,73 12.218,74 0.208,75 1.368,76 27.811,77 10.728,78 37.843,79 15.311,80 0.175,81 1.157,82 23.766,83 9.278,84 35.44,85 13.137,86 0.153,87 0.891,88 18.776,89 7.442,90 34.88,91 10.254,92 0.113,93 0.737,94 13.995,95 5.396,96 22.866,97 7.507,98 0.158,99 0.741,100 15.361,101 5.205,102 18.909,103 7.773,104 18,105 35,106 0.239,107 0.539,108 0.657,109 0.74,110 0.765,111 0.765,112 3.147,113 0.936,114 -4.64,115 -4.56,116 -4.29,120 45.2,121 3,124 1,126 1,143 8,144 2,145 2,155 1,159 1,174 13,176 1,177 3,185 16,188 2,189 6,197 12,201 6,209 8,214 6,222 7,227 6,235 7,240 6,247 7,252 2,260 5,264 4,271 6,274 592,275 14.403,276 14.403,277 14.403,278 14.403,279 14.403,280 12.755,281 21.585,282 8.304,283 14.525,284 11.84,285 11.84,286 11.84,287 11.84,288 11.84,289 9.278,290 28.375,291 3.928,292 12.04,293 4.027,294 2.318,295 1.65,296 1.173,297 1.031,298 1.031,299 3.824,305 1,306 1,307 1,308 413,309 3.162,313 174.709,317 93.881,320 1.306,321 14.873,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46,333 194,334 4.447,335 3.718,336 7.111,337 4.314,338 3.314,339 3.969,340 1.23,341 11.657,342 3.313,343 4.405,344 3.538,345 6.679,346 4.088,347 3.132,348 3.829,349 0.6,350 10.767,351 2.992,352 3.836,353 2.915,354 5.654,355 3.491,356 2.501,357 3.182,358 0.521,359 7.51,360 2.477,361 3.64,362 2.712,363 5.294,364 3.256,365 2.254,366 2.933,368 6.648,369 2.251,370 3.168,371 2.172,372 4.659,373 2.73,374 1.763,375 2.313,377 4.831,378 1.702,379 2.928,380 1.717,381 4.568,382 2.57,383 1.58,384 2.056,386 4.595,387 1.56,388 2.875,389 1.58,390 3.696,391 2.411,392 1.412,393 2.013,395 3.035,396 1.408,397 2.5,398 1.181,399 3.583,400 2,401 1,402 1.5,404 2.3,405 1,406 2.407,407 1.045,408 3.414,409 1.878,410 0.905,411 1.269,413 2.275,414 0.878,415 1.945,416 1,417 3.044,418 1.36,419 0.372,420 0.532,422 0.899,423 0.363,424 1.152,425 0.258,426 2.758,427 0.783,428 -0.225,429 -0.299,431 -0.545,432 -0.224,433 0.854,434 -0.269,435 2.48,436 0.487,437 -0.487,438 -0.614,440 -1.207,441 -0.472,442 0.6,443 -0.487,444 2.307,445 0.153,446 -0.837,447 -1,449 -2.065,450 -0.823,451 0.5,452 -0.704,453 2,455 -1,456 -1,458 -2.876,459 -1,460 0.318,461 -1,462 2,464 -1,465 -1.086,467 -3,468 -1,469 10.633,470 0.483,471 0.723,472 0.033,473 29.5,474 1.341,475 16,476 0.727,477 13.5,478 0.614,479 17.342,480 0.788,481 22.967,482 0.547,483 19.663,484 0.894,485 5.54,486 0.252,487 4.909,488 0.223,489 0.172,490 0.047,491 0.273,496 0.642,497 1.255,498 0.833,499 1.065,500 0.607,501 0.981,502 0.678,503 1.023,504 0.774,505 0.87,506 0.521,507 0.831,508 0.818,509 1.262,510 1.129,511 1.25,512 0.822,513 1.225,514 0.909,515 0.951,516 0.941,517 0.955,518 0.875,519 0.95,520 0.936,521 0.895,522 0.934,523 0.954,524 0.913,525 0.943,526 1.241,527 0.905,528 0.89,529 0.911,530 1.48,531 0.887,532 1.32,533 1.284,534 1.223,535 1.216,536 1.385,537 1.217,538 0.995,539 0.509,540 0.808,541 0.529,542 0.513,543 0.608,544 5.5,545 0.099,546 3.111,547 1.5,548 1.369,549 0.764,550 0.282,551 0.285,552 0.316,553 0.184,554 4788,555 10584,556 2.032,557 47.6,558 9,559 10,561 1,567 1.644,568 1.872,569 3.099,570 -0.851,572 1,575 57.328,576 1.365,577 3.075,578 3.743,579 4.219,580 4.362,581 4.362,582 2.534,583 3.698,584 4.434,585 3.288,586 759.515,587 7.609,588 8278.38,590 1,592 1,593 226.477,594 1.661,595 4.366,596 0.229,597 0.01,598 0.089,599 0.043,600 0.047,601 0.031,602 0.013,603 0.017,604 0.021,605 0.012,606 0.511,607 0.83,608 1,609 0.853,610 100.678,611 0.027,612 -0.145,613 0.056,614 -0.039,615 -0.061,616 0.001,617 0.158,618 0.06,619 0.164,620 0.119,621 0.108,622 0.137,623 0.101,624 -0.212,625 -0.193,626 -0.265,627 0.007,628 -0.261,629 -0.012,630 -0.001,631 0.041,632 0.017,633 -0.005,634 0.033,635 -0.002,636 0.046,637 0.05,638 0.024,639 0.061,640 0.043,641 -0.021,642 0.006,643 0.109,644 0.081,645 0.016,646 0.1,647 -0.153,648 -0.281,649 -0.25,650 -0.248,651 -0.177,652 -0.261,653 -0.092,654 0.493,655 0.209,656 0.395,657 0.015,658 0.352,659 1.737,660 5.164,661 0.727,662 15.802,663 0.988,664 1.118,665 3.413,666 11.649,667 0.674,668 3.219,669 3.584,670 3.807,671 4.025,672 4.277,673 4.304,674 4.344,675 4.443,676 4.585,677 4.419,678 5.43,679 0.631,680 292.41,681 3.219,682 4.779,683 5.624,684 6.515,685 7.38,686 8.27,687 9.141,688 10.031,689 10.904,690 11.794,691 4.8,698 1,700 1,709 8,714 4,716 12,738 42,739 14,740 2,741 24,743 44,744 19,745 12,746 4,747 8,748 2,752 3,753 4,759 3,760 1,768 14,769 5,772 2,778 1,780 1,781 1,782 1,786 1,789 20,790 3,792 3,797 2,803 0.667,804 1,823 3,827 1,834 1,839 1,855 2,859 3,862 22,869 1,875 1,876 1,886 2.4,889 1,893 11.75,894 8.567,895 4.667,896 2.497,898 2.765,899 1.4,900 0.961,901 3.677,902 9.677,903 3.497,904 4.078,905 4.615,906 5.122,907 5.678,908 5.837,909 6.105,910 6.389,911 6.787,912 6.859,913 0.833,914 35,915 8.13,917 3.421,918 7.64,919 15.732,921 12.978,924 2.14,925 47.083,928 1,929 235.422,930 130.028,931 19.91,933 25.145,936 130.028,937 260.567,938 19.91,939 26.476,940 5.23,941 75.81,942 50.668,943 28.67,945 223.651,947 235.422,948 149.938,949 25.145,952 235.422,953 25.145,956 48.491,957 92.399,958 9.047,960 235.422,961 45.055,962 130.028,965 235.422,966 18.695,967 114.457,969 41.93,970 235.422,971 45.055,972 130.028,973 0.598,974 0.337,975 0.17,976 0.095,977 18,978 8,979 0.068,980 3,981 1,982 1.125,983 3.356,984 173.348,985 0.125,986 16,987 87.353,993 14.681,994 5.51,995 3.029,997 45.055,998 16.212,1003 4.123,1006 410.505,1007 32,1013 12.164,1015 1.395,1016 4.196,1017 -0.071,1020 41.483,1021 46.943,1022 0.253,1023 0.57,1024 0.694,1025 0.782,1026 0.809,1027 0.809,1028 4.754,1029 1,1030 5.666,1031 3.035,1032 4.263,1033 4.762,1034 1.638,1035 6.529,1036 4.229,1037 5.985,1038 0.905,1039 7.272,1040 2.3,1041 4.111,1042 4.575,1043 0.325,1044 7.758,1045 4.072,1046 7.309,1047 0.372,1048 8.992,1049 2.275,1050 5.969,1051 6.908,1052 1.665,1053 10.756,1054 5.898,1055 8.667,1056 -0.225,1057 10.78,1058 0.899,1059 6.594,1060 7.459,1061 0.74,1062 12.759,1063 6.519,1064 10.054,1065 -0.487,1066 12.612,1067 -0.545,1068 8.008,1069 9.317,1070 1.867,1071 15.364,1072 7.908,1073 11.463,1074 -0.837,1075 14.473,1076 -1.207,1077 8.956,1078 10.226,1079 1.168,1080 17.639,1081 8.85,1082 12.888,1083 -1,1084 16.355,1085 -2.065,1086 10.214,1087 11.861,1088 2.144,1089 20.128,1090 10.09,1091 3.314,1092 -1,1093 18.251,1094 -2.876,1095 11.297,1096 12.964,1097 1.605,1098 22.502,1099 11.167,1100 3.132,1101 11.657,1102 20.158,1103 -3,1104 12.499,1105 14.481,1106 2.457,1107 24.953,1108 12.359,1109 2.501,1110 10.767,1111 22.073,1112 3.969,1113 13.638,1114 15.693,1115 2.049,1116 27.365,1117 13.492,1118 2.254,1119 7.51,1120 23.995,1121 3.829,1122 14.823,1123 17.145,1124 2.793,1125 29.806,1126 14.67,1127 1.763,1128 6.648,1129 25.922,1130 3.182,1131 15.986,1132 18.42,1133 2.494,1134 32.233,1135 15.829,1136 1.58,1137 4.831,1138 27.853,1139 2.933,1140 17.166,1141 19.835,1142 3.145,1143 34.671,1144 17.006,1145 1.412,1146 4.595,1147 29.788,1148 2.313,1149 18.339,1150 21.148,1151 2.938,1152 37.105,1153 18.178,1154 4714,1155 7170,1156 15.603,1157 28.319,1158 37.634,1159 37.939,1160 37.073,1161 36.447,1162 36.465,1163 47.192,1164 4.703,1165 109.035,1166 35.889,1167 5.289,1168 5.718,1169 6.795,1170 5.383,1171 5.314,1172 6.969,1173 2.335,1174 18.807,1175 5.313,1176 11.628,1177 1.568,1178 1.581,1179 1.545,1180 1.519,1181 1.519,1182 1.966,1183 0.196,1184 4.543,1185 1.495,1186 4.026,1187 4.06,1188 3.975,1189 3.946,1190 7.429,1191 3.945,1192 3.917,1193 3.949,1194 3.857,1195 3.845,1196 4.859,1197 3.845,1198 3.608,1199 3.666,1200 3.483,1201 3.499,1202 4.728,1203 3.485,1204 3.466,1205 3.503,1206 3.384,1207 3.288,1208 4.343,1209 3.311,1210 3.108,1211 3.186,1212 2.982,1213 2.93,1214 4.238,1215 2.93,1216 2.874,1217 3.009,1218 2.72,1219 2.735,1220 3.848,1221 2.715,1222 2.874,1223 3.009,1224 2.687,1225 2.713,1226 3.674,1227 2.701,1228 2.854,1229 2.925,1230 2.609,1231 2.618,1232 3.544,1233 2.57,1234 0.185,1235 0.155,1236 0.296,1237 0.18,1238 0.138,1239 4.447,1240 0.165,1241 3.718,1242 0.051,1243 7.111,1244 0.486,1245 4.314,1246 0.138,1247 3.314,1248 3.969,1249 1.23,1250 11.657,1251 3.313,1252 1.983,1253 1.955,1254 2.104,1255 2.085,1256 1.303,1257 2.087,1258 1.909,1259 1.88,1260 2.014,1261 2.008,1262 1.138,1263 2.016,1264 1.625,1265 1.57,1266 1.856,1267 1.772,1268 1.003,1269 1.804,1270 1.398,1271 1.359,1272 1.546,1273 1.601,1274 0.643,1275 1.588,1276 1.086,1277 1.015,1278 1.417,1279 1.307,1280 0.469,1281 1.322,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.338,1291 1.239,1292 0.362,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.892,1302 5.242,1304 6.79,1306 8.424,1308 10.101,1310 6.592,1315 0.562,1321 1.772,1322 0.138,1326 26.499,1327 57.328,1328 129.139,1329 157.193,1330 177.193,1331 183.193,1332 183.193,1333 33.38,1334 6.913,1335 34.89,1336 34.89,1337 18,1338 12.326,1339 3.907,1340 3.17,1341 34.526,1342 72,1343 60,1344 0.241,1345 165.01,1346 288.05,1347 394.385,1348 8570,1350 15.742,1351 0.716,1352 0.6,1353 15.742,1354 13.206,1355 10.449,1356 0.435,1357 0.312,1358 7.435,1359 10.225,1360 7.079,1361 5.976,1362 10.449,1363 7.49,1364 10.246,1365 0.293,1366 0.189,1367 10.246,1368 6.618,1369 7.919,1370 0.18,1371 0.089,1372 7.919,1373 3.913,1374 6.328,1375 0.115,1376 0.047,1377 6.328,1378 2.571,1379 5.279,1380 0.074,1381 0.024,1382 5.279,1383 1.736,1384 0.372,1385 64.26,1386 0.253,1387 21.524,1388 0.673,1389 118,1390 289.026,1391 124.683,1392 289.09,1393 400.38,1394 270,1395 138,1396 299.622,1397 145.433,1398 310.677,1399 450.67,1400 290,1401 5.644}
{0 CHEMBL1405721,1 1.457,2 10.227,3 4.751,4 22.574,5 89.812,6 7.471,7 0.667,8 3.75,9 3.87,10 3.332,11 3.353,12 4.895,13 3.318,14 4.236,15 4.401,16 3.665,17 3.715,18 5.325,19 3.662,20 4.461,21 4.665,22 3.674,23 3.805,24 5.565,25 3.724,26 4.505,27 4.743,28 3.524,29 3.714,30 5.593,31 3.61,32 4.352,33 4.612,34 3.272,35 3.508,36 5.39,37 3.389,38 4.115,39 4.349,40 3.189,41 3.307,42 5.246,43 3.232,44 3.906,45 4.095,46 3.114,47 3.253,48 5.034,49 3.184,50 3.951,51 4.183,52 3.055,53 3.271,54 4.906,55 3.168,56 0.063,57 0.563,58 7.505,59 3.53,60 6.843,61 4.619,62 0.114,63 0.881,64 13.372,65 5.743,66 12.852,67 7.811,68 0.153,69 1.052,70 18.091,71 7.191,72 28.086,73 9.891,74 0.212,75 1.069,76 20.145,77 7.301,78 35.968,79 10.201,80 0.148,81 0.878,82 17.927,83 6.578,84 30.832,85 9.189,86 0.154,87 0.687,88 14.016,89 4.965,90 31.493,91 6.636,92 0.11,93 0.599,94 10.349,95 3.832,96 20.825,97 5.06,98 0.074,99 0.624,100 11.141,101 4.354,102 14.84,103 6.133,104 11,105 33,106 0.257,107 0.566,108 0.708,109 0.807,110 0.816,111 0.816,112 3.146,113 0.91,114 -4.88,115 -4.79,116 -4.5,120 46.2,121 2,123 1,136 2,143 8,144 2,147 1,153 1,159 1,167 2,174 14,176 2,177 4,185 16,188 1,189 9,197 14,200 1,201 9,209 9,214 8,222 7,227 8,235 7,240 6,247 7,252 5,260 7,264 6,271 7,274 610,275 14.845,276 14.845,277 14.845,278 14.845,279 14.845,280 12.791,281 10.837,282 8.751,283 14.925,284 11.816,285 11.816,286 11.816,287 11.816,288 11.816,289 8.639,290 9.834,291 4.114,292 11.937,293 3.828,294 2.074,295 1.269,296 0.705,297 0.654,298 0.654,299 3.826,306 1,307 1,308 484,309 3.24,312 49.715,313 134.914,316 92.975,320 1.521,321 15.283,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46.5,333 225,334 4.581,335 3.619,336 6.679,337 4.101,338 3.135,339 4.514,340 0.98,341 10.751,342 3.024,343 4.124,344 2.991,345 5.929,346 3.785,347 2.785,348 3.713,350 8.228,351 2.785,352 3.833,353 2.871,354 5.629,355 3.444,356 2.442,357 3.226,359 7.288,360 2.442,361 3.612,362 2.406,363 5.291,364 3.272,365 2.274,366 2.922,368 6.733,369 2.265,370 3.051,371 1.785,372 4.482,373 2.546,374 1.549,375 2.32,377 4.22,378 1.544,379 3.029,380 1.545,381 3.984,382 2.505,383 1.52,384 2.216,386 3.467,387 1.491,388 2.627,389 1.329,390 3.781,391 2.276,392 1.274,393 1.632,395 2.97,396 1.275,397 2.5,398 1.131,399 3.561,400 2.056,401 1.054,402 1.5,404 2.569,405 1.056,406 2.483,407 1,408 3.414,409 2,410 1,411 1.457,413 2.275,414 1,415 2.234,416 0.852,417 3.14,418 1.614,419 0.618,420 0.938,422 1.43,423 0.614,424 1.93,425 0.587,426 2.893,427 1.344,428 0.328,429 0.513,431 0.768,432 0.331,433 0.957,434 -0.16,435 2.222,436 0.583,437 -0.433,438 -0.575,440 -0.987,441 -0.437,442 0.699,443 -0.517,444 2,445 0.196,446 -0.8,447 -1,449 -1.905,450 -0.792,451 0.624,452 -0.835,453 2,454 0.125,455 -0.875,456 -1.171,458 -2,459 -0.873,460 0.5,461 -0.922,462 2,464 -1,465 -1.286,467 -2.141,468 -1,469 10.533,470 0.479,471 0.524,472 0.024,473 30,474 1.364,475 17,476 0.773,477 13,478 0.591,479 14.833,480 0.674,481 22.467,482 0.576,483 20.254,484 0.921,485 5.958,486 0.271,487 4.69,488 0.213,489 0.127,491 0.323,496 0.465,497 0.984,498 0.754,499 0.98,500 0.557,501 0.918,502 0.509,503 1.139,504 0.776,505 1.026,506 0.545,507 0.951,508 0.82,509 1.145,510 0.931,511 1.074,512 0.79,513 1.027,514 1.041,515 1.055,516 1.03,517 1.046,518 1.011,519 1.034,520 1.08,521 0.928,522 0.941,523 0.969,524 1.106,525 0.942,526 1.646,527 0.91,528 0.932,529 0.84,530 1.861,531 0.82,532 1.539,533 1.072,534 1.138,535 0.988,536 1.616,537 1.015,538 0.715,539 0.99,540 0.926,541 0.977,542 0.622,543 0.969,544 4,545 0.099,546 2.889,547 1.319,548 0.969,549 0.58,550 0.304,551 0.212,552 0.145,553 0.093,554 5377,555 12870,556 2.07,557 43.6,558 7,559 10,567 1.639,568 1.941,569 3.326,570 -0.807,575 56.83,576 1.457,577 3.212,578 4.016,579 4.58,580 4.631,581 4.631,582 2.754,583 3.971,584 4.433,585 3.483,586 804.548,587 7.58,588 9066,590 1,593 206.131,594 1.395,595 4.392,596 0.167,597 0.009,598 0.088,599 0.041,600 0.037,601 0.029,602 0.016,603 0.012,604 0.009,605 0.006,606 0.413,607 0.67,608 1,609 0.797,610 102.754,611 0.214,612 0.117,613 0.063,614 0.002,615 -0.02,616 0.004,617 0.238,618 -0.094,619 0.102,620 -0.046,621 0.084,622 -0.004,623 0.086,624 -0.151,625 0.006,626 -0.098,627 0.097,628 -0.064,629 0.029,630 -0.075,631 -0.037,632 -0.088,633 0.043,634 -0.07,635 -0.018,636 -0.006,637 0.082,638 0.013,639 0.052,640 0.056,641 -0.137,642 0.023,643 0.108,644 0.131,645 -0.057,646 0.144,647 -0.257,648 -0.046,649 -0.184,650 -0.036,651 -0.241,652 -0.093,653 -0.022,654 -0.008,655 0.022,656 0.006,657 -0.045,658 0.02,659 1.873,660 5.242,661 0.682,662 16.95,663 0.995,664 1.118,665 3.653,666 13.347,667 0.687,668 3.219,669 3.526,670 3.784,671 3.989,672 4.143,673 4.143,674 4.143,675 4.159,676 4.127,677 4.159,678 6.057,679 0.653,680 291.38,681 3.219,682 4.745,683 5.587,684 6.45,685 7.31,686 8.177,687 9.042,688 9.912,689 10.78,690 11.652,691 7.7,699 1,701 2,708 2,709 8,710 2,714 2,715 1,716 16,738 39,739 18,740 2,741 24,743 41,744 18,745 12,746 4,747 8,748 3,752 3,753 4,759 2,768 15,769 3,770 1,772 2,778 1,780 2,782 1,789 17,790 3,792 4,797 3,803 0.667,804 1,822 1,823 2,826 1,845 2,855 2,859 2,862 22,874 1,883 1,886 2.6,889 1,893 11.333,894 7.683,895 4.861,896 2.417,898 3.647,899 1.537,900 0.98,901 3.949,902 10.441,903 3.555,904 4.171,905 4.815,906 5.398,907 5.899,908 6.163,909 6.503,910 6.828,911 6.929,912 7.257,913 0.857,914 32,915 8.095,917 3.381,918 7.712,919 15.464,921 12.454,924 2.212,925 48.667,929 200.109,930 127.777,931 34.98,933 25.145,936 127.777,937 225.254,938 34.98,939 17.65,941 94.762,942 63.053,943 10.292,944 2.144,945 200.109,947 200.109,948 162.757,949 25.145,952 200.109,953 25.145,956 21.571,957 89.03,958 52.156,960 200.109,961 60.125,962 127.777,965 200.109,966 15.364,967 114.189,969 58.348,970 200.109,971 60.125,972 127.777,973 0.581,974 0.341,975 0.174,976 0.09,977 16,978 7,979 0.073,980 3,981 1,982 1.133,983 3.512,984 165.771,985 0.133,986 15,987 92.107,993 14.369,994 6.046,995 3.053,996 1.429,997 58.348,998 15.594,999 7.895,1003 2.271,1004 1.314,1006 388.011,1007 34,1013 12.242,1015 3.314,1017 -0.207,1020 38.818,1021 43.611,1022 0.276,1023 0.608,1024 0.76,1025 0.867,1026 0.876,1027 0.876,1028 4.762,1029 1.054,1030 5.565,1031 2.97,1032 4.205,1033 4.856,1034 1.072,1035 6.354,1036 4.183,1037 5.979,1038 1,1039 7.116,1040 2.569,1041 3.761,1042 4.605,1044 7.252,1045 3.717,1046 7.281,1047 0.618,1048 8.769,1049 2.275,1050 5.778,1051 7.105,1052 1.045,1053 10.325,1054 5.72,1055 8.626,1056 0.328,1057 10.484,1058 1.43,1059 6.176,1060 7.748,1062 12.083,1063 6.084,1064 10.004,1065 -0.433,1066 12.238,1067 0.768,1068 7.65,1069 9.67,1070 1.019,1071 14.672,1072 7.545,1073 11.408,1074 -0.8,1075 14.02,1076 -0.987,1077 8.429,1078 10.747,1080 16.78,1081 8.282,1082 12.832,1083 -0.875,1084 15.822,1085 -1.905,1086 9.686,1087 12.424,1088 0.993,1089 19.216,1090 9.52,1091 3.135,1092 -1,1093 17.64,1094 -2,1095 10.645,1096 13.719,1098 21.473,1099 10.435,1100 2.785,1101 10.751,1102 19.469,1103 -2.141,1104 11.814,1105 15.289,1106 0.967,1107 23.862,1108 11.58,1109 2.442,1110 8.228,1111 21.307,1112 4.514,1113 12.859,1114 16.691,1116 26.184,1117 12.581,1118 2.274,1119 7.288,1120 23.154,1121 3.713,1122 13.996,1123 18.218,1124 0.942,1125 28.56,1126 13.687,1127 1.549,1128 6.733,1129 25.007,1130 3.226,1131 15.082,1132 19.672,1134 30.909,1135 14.731,1136 1.52,1137 4.22,1138 26.866,1139 2.922,1140 16.209,1141 21.182,1142 0.917,1143 33.282,1144 15.823,1145 1.274,1146 3.467,1147 28.731,1148 2.32,1149 17.317,1150 22.662,1152 35.645,1153 16.89,1154 5214,1155 8263,1156 16.008,1157 26.801,1158 36.842,1159 37.042,1160 37.07,1161 35.976,1162 35.958,1163 49.904,1164 1.96,1165 101.398,1166 35.65,1167 5.305,1168 5.619,1169 6.361,1170 5.119,1171 5.135,1172 7.514,1173 1.96,1174 17.8,1175 5.024,1176 10.27,1177 1.535,1178 1.543,1179 1.545,1180 1.499,1181 1.498,1182 2.079,1183 0.082,1184 4.225,1185 1.485,1186 4.099,1187 4.144,1188 4.074,1189 3.967,1190 7.429,1191 3.982,1192 3.952,1193 3.982,1194 3.887,1195 3.895,1196 5.137,1197 3.891,1198 3.609,1199 3.654,1200 3.521,1201 3.496,1202 4.76,1203 3.492,1204 3.449,1205 3.505,1206 3.32,1207 3.283,1208 4.425,1209 3.287,1210 3.206,1211 3.275,1212 3.106,1213 3.018,1214 4.228,1215 3.033,1216 2.921,1217 3.009,1218 2.813,1219 2.783,1220 3.998,1221 2.78,1222 2.874,1223 2.981,1224 2.687,1225 2.735,1226 3.76,1227 2.715,1228 2.854,1229 2.925,1230 2.633,1231 2.618,1232 3.674,1233 2.579,1234 0.191,1235 0.151,1236 0.278,1237 0.171,1238 0.131,1239 4.581,1240 0.188,1241 3.619,1242 0.041,1243 6.679,1244 0.448,1245 4.101,1246 0.126,1247 3.135,1248 4.514,1249 0.98,1250 10.751,1251 3.024,1252 1.964,1253 1.939,1254 2.085,1255 2.048,1256 1.261,1257 2.058,1258 1.914,1259 1.886,1260 2.01,1261 2.006,1262 1.113,1263 2.011,1264 1.617,1265 1.572,1266 1.838,1267 1.791,1268 0.962,1269 1.796,1270 1.431,1271 1.377,1272 1.598,1273 1.666,1274 0.614,1275 1.649,1276 1.105,1277 1.033,1278 1.417,1279 1.362,1280 0.469,1281 1.343,1282 0.943,1283 0.892,1284 1.261,1285 1.239,1286 0.302,1287 1.308,1288 0.934,1289 0.821,1290 1.181,1291 1.125,1292 0.218,1293 1.124,1294 0.886,1295 0.804,1296 1.113,1297 1.062,1298 0.189,1299 1.107,1300 3.892,1302 5.198,1303 2.398,1304 6.698,1305 4.727,1306 8.281,1307 6.843,1308 9.907,1310 4.314,1320 0.501,1326 25.467,1327 56.83,1328 125.26,1329 156.621,1330 178.621,1331 180.621,1332 180.621,1333 31.849,1334 6.793,1335 47.78,1336 47.78,1337 17,1338 12.194,1339 4.248,1340 3.459,1341 34.762,1342 81,1343 72,1344 0.212,1345 159.285,1346 268.21,1347 380.415,1348 7786,1350 15.527,1351 0.706,1352 0.573,1353 15.527,1354 12.601,1355 10.648,1356 0.444,1357 0.303,1358 7.215,1359 10.363,1360 6.965,1361 5.873,1362 10.648,1363 7.278,1364 9.529,1365 0.289,1366 0.166,1367 9.529,1368 5.483,1369 7.984,1370 0.186,1371 0.083,1372 7.984,1373 3.582,1374 6.342,1375 0.12,1376 0.043,1377 6.342,1378 2.262,1379 4.871,1380 0.079,1381 0.023,1382 4.871,1383 1.413,1384 0.338,1385 65.91,1386 0.25,1387 22.022,1388 0.564,1389 114,1390 314.671,1391 122.459,1392 312.873,1393 434.5,1394 292,1395 133,1396 333.152,1397 142.598,1398 338,1399 489.04,1400 318,1401 4.848}
{0 CHEMBL1405957,1 1.524,2 9.957,3 3.234,4 10.46,5 92.735,6 8.354,7 0.48,8 3.749,9 3.846,10 3.411,11 3.413,12 4.901,13 3.374,14 4.253,15 4.384,16 3.774,17 3.804,18 5.366,19 3.74,20 4.575,21 4.756,22 3.891,23 3.93,24 5.706,25 3.843,26 4.578,27 4.767,28 3.819,29 3.842,30 5.856,31 3.737,32 4.501,33 4.707,34 3.66,35 3.741,36 5.673,37 3.64,38 4.326,39 4.515,40 3.742,41 3.589,42 5.735,43 3.54,44 4.164,45 4.328,46 3.381,47 3.413,48 5.515,49 3.356,50 4.056,51 4.27,52 3.074,53 3.239,54 5.195,55 3.118,56 0.018,57 0.476,58 6.294,59 3.439,60 6.556,61 4.296,62 0.034,63 0.783,64 11.888,65 6.014,66 14.683,67 7.603,68 0.185,69 1.056,70 21.467,71 8.616,72 46.181,73 10.668,74 0.424,75 1.035,76 24.796,77 8.705,78 81.209,79 10.761,80 0.332,81 0.94,82 26.404,83 8.249,84 60.79,85 9.859,86 0.302,87 0.784,88 18.812,89 6.826,90 56.571,91 8.26,92 0.2,93 0.67,94 13.446,95 5.465,96 48.843,97 6.109,98 0.231,99 0.617,100 14.593,101 5.091,102 42.61,103 6.215,104 10,105 34,106 0.27,107 0.576,108 0.681,109 0.793,110 0.837,111 0.837,112 3.188,113 0.942,114 -4.27,115 -4.2,116 -3.97,120 48.7,122 2,123 1,137 1,138 1,143 9,144 1,145 2,157 2,174 11,177 4,182 3,185 16,189 2,194 2,197 12,200 1,201 4,204 2,206 3,209 11,214 2,219 1,222 5,227 10,232 1,235 8,240 6,245 1,247 7,252 2,257 3,260 6,269 1,271 5,274 678,275 15.552,276 15.552,277 15.552,278 15.552,279 15.552,280 13.553,281 17.158,282 9.32,283 15.659,284 12.333,285 12.333,286 12.333,287 12.333,288 12.333,289 9.369,290 21.497,291 4.427,292 12.538,293 3.762,294 2.035,295 1.439,296 0.811,297 0.564,298 0.564,299 3.87,303 1,305 1,306 1,307 1,308 491,309 2.345,313 237.429,320 1.788,321 26.558,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48.833,333 229,334 4.385,335 3.815,336 6.546,337 4.116,338 3.11,339 3.865,340 1.277,341 10.288,342 3.136,343 4.187,344 3.326,345 6.303,346 3.798,347 2.817,348 3.68,349 1.277,350 9.347,351 2.74,352 3.886,353 3.279,354 5.338,355 3.476,356 2.501,357 3.428,358 0.4,359 6.957,360 2.437,361 3.303,362 2.657,363 5.07,364 2.952,365 1.996,366 2.414,368 5.785,369 2,370 3.247,371 2.419,372 4.879,373 2.949,374 1.879,375 2.393,377 5.225,378 1.882,379 2.944,380 1.795,381 4.018,382 2.509,383 1.527,384 2.108,386 3.344,387 1.497,388 2.86,389 1.603,390 3.69,391 2.353,392 1.414,393 2.012,395 3.118,396 1.269,397 2.672,398 1.447,399 3.592,400 2.179,401 1.184,402 1.644,404 2.879,405 1.165,406 2.5,407 1.187,408 3.405,409 2,410 1,411 1.5,413 2.136,414 1,415 2.316,416 1,417 3.247,418 1.857,419 0.855,420 1.147,422 2.061,423 0.849,424 1.415,425 0.729,426 2.818,427 1.072,428 0.08,429 0.1,431 0.198,432 0.077,433 1.089,434 0.656,435 2.653,436 0.721,437 -0.228,438 -0.287,440 -0.504,441 -0.161,442 1,443 0.426,444 2.33,445 0.644,446 -0.347,447 -0.414,449 -0.898,450 -0.368,451 0.697,452 -0.106,453 2,454 0.283,455 -0.703,456 -0.878,458 -1.552,459 -0.675,460 0.634,461 -0.519,462 1.938,463 0.182,464 -0.796,465 -1.104,467 -1.909,468 -0.768,469 11.281,470 0.49,471 0.524,472 0.023,473 30.75,474 1.337,475 17,476 0.739,477 13.75,478 0.598,479 16.805,480 0.731,481 23.519,482 0.603,483 21.398,484 0.93,485 6.146,486 0.267,487 5.002,488 0.217,489 0.122,491 0.31,496 0.553,497 0.991,498 0.596,499 0.834,500 0.508,501 0.82,502 0.607,503 1.175,504 0.718,505 1.033,506 0.597,507 1.019,508 1.039,509 1.125,510 0.914,511 1.02,512 1.058,513 1.02,514 1.066,515 1.086,516 1.173,517 1.094,518 1.103,519 1.1,520 1.533,521 0.805,522 1.375,523 0.956,524 1.454,525 0.94,526 0.994,527 0.925,528 0.661,529 0.935,530 1.149,531 0.808,532 1.747,533 1.125,534 0.872,535 1.008,536 2.025,537 1.039,538 1.31,539 1.061,540 1.056,541 1.056,542 1.436,543 1.115,544 4,545 0.041,546 2.667,547 1.563,548 1.098,549 1.014,550 0.448,551 0.227,552 0.155,553 0.096,554 5759,555 16902,556 2.067,557 41,558 1,559 9,560 1,562 1,563 4,567 1.656,568 1.944,569 3.252,570 -0.369,571 1,572 1,574 1,575 59.42,576 1.524,577 3.251,578 3.846,579 4.475,580 4.721,581 4.721,582 2.699,583 4.089,584 4.493,585 3.437,586 869.464,587 7.729,588 9908.57,589 1,590 1,591 1,592 1,593 206.131,594 1.371,595 4.458,596 0.16,597 0.003,598 0.078,599 0.045,600 0.037,601 0.038,602 0.016,603 0.011,604 0.011,605 0.009,606 0.407,607 0.67,608 1,609 0.58,610 107.927,611 -0.027,612 0.046,613 0.009,614 0.046,615 -0.025,616 0.044,617 -0.004,618 -0.169,619 -0.025,620 -0.126,621 -0.018,622 -0.115,623 -0.082,624 -0.135,625 -0.024,626 -0.07,627 -0.087,628 -0.072,629 0.123,630 -0.099,631 -0.101,632 -0.121,633 0.074,634 -0.146,635 -0.231,636 0.173,637 -0.161,638 0.049,639 -0.178,640 0.04,641 0.264,642 0.027,643 0.284,644 0.039,645 0.262,646 0.16,647 -0.247,648 -0.16,649 -0.114,650 -0.082,651 -0.209,652 -0.139,653 -0.131,654 -0.07,655 -0.137,656 -0.096,657 -0.18,658 -0.148,659 1.811,660 5.349,661 0.783,662 20.106,663 1.004,664 1.107,665 3.035,666 9.211,667 0.714,668 3.258,669 3.555,670 3.807,671 4.025,672 4.205,673 4.22,674 4.248,675 4.317,676 4.317,677 4.344,678 5.882,679 0.679,680 325.81,681 3.258,682 4.779,683 5.617,684 6.479,685 7.331,686 8.2,687 9.059,688 9.932,689 10.794,690 11.671,691 2.6,696 1,709 9,714 3,716 12,729 1,737 1,738 39,739 15,740 2,741 25,743 41,744 19,745 12,746 3,747 9,748 4,752 3,753 3,754 1,763 2,764 1,766 2,768 16,769 3,770 1,772 3,778 2,780 1,782 3,785 1,786 1,789 16,790 3,791 1,792 4,793 1,797 1,803 1,804 2,823 3,836 2,846 1,855 3,860 1,862 23,869 2,871 1,874 1,885 1,886 5.1,889 2,893 11.833,894 6.893,895 5.111,896 2.313,898 2.546,899 1.374,900 0.986,901 4.705,902 9.348,903 3.555,904 4.094,905 4.6,906 5.04,907 5.454,908 5.505,909 5.75,910 6.054,911 6.329,912 6.566,913 0.857,914 35,915 8.544,917 3.694,918 7.889,919 16.099,921 13.293,924 2.389,925 54.944,929 176.567,930 122.298,931 18.011,932 39.149,933 50.29,936 122.298,937 266.005,938 18.011,940 14.116,941 85.286,942 78.568,943 12.629,944 11.771,945 164.795,946 39.149,947 176.567,948 140.309,949 50.29,950 39.149,952 176.567,953 50.29,956 5.069,957 117.229,958 57.159,960 176.567,961 68.301,962 161.447,965 176.567,966 27.965,967 94.334,968 18.011,969 89.438,970 176.567,971 68.301,972 161.447,973 0.576,974 0.338,975 0.18,976 0.093,977 16,978 7,979 0.073,980 3,982 1,983 3.552,984 178.843,986 18,987 94.042,993 15.666,994 6.907,995 3.582,997 68.301,998 16.814,1003 2.313,1005 18.011,1006 406.314,1007 34,1013 24.698,1015 1.517,1017 -0.054,1020 39.149,1021 43.183,1022 0.288,1023 0.615,1024 0.728,1025 0.847,1026 0.893,1027 0.893,1028 4.771,1029 1.184,1030 5.587,1031 3.118,1032 4.234,1033 4.779,1034 2.06,1035 6.372,1036 4.208,1037 5.96,1038 1,1039 7.132,1040 2.879,1041 3.761,1042 4.425,1044 7.235,1045 3.718,1046 7.248,1047 0.855,1048 8.781,1049 2.136,1050 5.796,1051 6.867,1052 2.46,1053 10.336,1054 5.759,1055 8.57,1056 0.08,1057 10.492,1058 2.061,1059 6.155,1060 7.309,1062 12.042,1063 6.112,1064 9.923,1065 -0.228,1066 12.244,1067 0.198,1068 7.651,1069 9.22,1070 2.912,1071 14.649,1072 7.611,1073 11.298,1074 -0.347,1075 14.024,1076 -0.504,1077 8.404,1078 10.048,1080 16.696,1081 8.367,1082 12.691,1083 -0.703,1084 15.823,1085 -0.898,1086 9.674,1087 11.71,1088 3.38,1089 19.125,1090 9.64,1091 3.11,1092 -0.796,1093 17.637,1094 -1.552,1095 10.616,1096 12.742,1098 21.318,1099 10.59,1100 2.817,1101 10.288,1102 19.462,1103 -1.909,1104 11.79,1105 14.27,1106 3.857,1107 23.677,1108 11.769,1109 2.501,1110 9.347,1111 21.295,1112 3.865,1113 12.822,1114 15.418,1116 25.934,1117 12.813,1118 1.996,1119 6.957,1120 23.135,1121 3.68,1122 13.957,1123 16.868,1124 4.338,1125 28.266,1126 13.956,1127 1.879,1128 5.785,1129 24.98,1130 3.428,1131 15.033,1132 18.085,1134 30.553,1135 15.044,1136 1.527,1137 5.225,1138 26.83,1139 2.414,1140 16.154,1141 19.489,1142 4.823,1143 32.874,1144 16.176,1145 1.414,1146 3.344,1147 28.682,1148 2.393,1149 17.252,1150 20.749,1152 35.177,1153 17.286,1154 5576,1155 9649,1156 16.701,1157 27.864,1158 37.51,1159 39.109,1160 37.969,1161 36.875,1162 36.729,1163 48.582,1164 5.91,1165 102.674,1166 36.104,1167 5.385,1168 5.815,1169 6.348,1170 5.116,1171 5.11,1172 6.865,1173 2.555,1174 17.122,1175 5.136,1176 9.97,1177 1.5,1178 1.564,1179 1.519,1180 1.475,1181 1.469,1182 1.943,1183 0.236,1184 4.107,1185 1.444,1186 4.009,1187 4.032,1188 4.04,1189 3.939,1190 7.442,1191 3.935,1192 3.891,1193 3.925,1194 3.857,1195 3.824,1196 7.411,1197 3.819,1198 3.762,1199 3.78,1200 3.742,1201 3.671,1202 4.929,1203 3.674,1204 3.299,1205 3.365,1206 3.3,1207 3.165,1208 4.79,1209 3.161,1210 3.166,1211 3.187,1212 3.176,1213 2.933,1214 4.347,1215 2.958,1216 2.961,1217 3.008,1218 3.084,1219 2.811,1220 4.288,1221 2.807,1222 2.878,1223 2.925,1224 2.857,1225 2.784,1226 3.94,1227 2.766,1228 2.854,1229 2.922,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.175,1235 0.153,1236 0.262,1237 0.165,1238 0.124,1239 4.385,1240 0.155,1241 3.815,1242 0.051,1243 6.546,1244 0.412,1245 4.116,1246 0.125,1247 3.11,1248 3.865,1249 1.277,1250 10.288,1251 3.136,1252 1.968,1253 1.946,1254 2.073,1255 2.062,1256 1.363,1257 2.068,1258 1.889,1259 1.858,1260 2.011,1261 1.981,1262 1.067,1263 1.994,1264 1.737,1265 1.717,1266 1.86,1267 1.849,1268 0.974,1269 1.855,1270 1.289,1271 1.233,1272 1.49,1273 1.473,1274 0.603,1275 1.486,1276 1.081,1277 1.045,1278 1.352,1279 1.342,1280 0.564,1281 1.335,1282 0.916,1283 0.867,1284 1.181,1285 1.124,1286 0.218,1287 1.122,1288 0.886,1289 0.824,1290 1.139,1291 1.062,1292 0.211,1293 1.107,1294 0.868,1295 0.821,1296 1.092,1297 1.018,1298 0.17,1299 1.06,1300 3.932,1302 5.231,1304 6.737,1306 8.336,1308 9.98,1311 6.181,1315 0.607,1317 3.011,1320 -0.141,1326 26.493,1327 59.42,1328 126.772,1329 149.992,1330 174.521,1331 184.131,1332 184.131,1333 49.162,1334 6.802,1335 46.17,1336 46.17,1337 18,1338 12.212,1339 4,1340 3.322,1341 36.914,1342 82,1343 78,1344 0.226,1345 167.618,1346 298.41,1347 400.748,1348 7504,1349 2.6,1350 16.234,1351 0.706,1352 0.575,1353 16.734,1354 13.215,1355 11.148,1356 0.446,1357 0.314,1358 7.459,1359 10.652,1360 7.262,1361 5.994,1362 11.437,1363 7.853,1364 9.857,1365 0.29,1366 0.175,1367 10.228,1368 5.949,1369 8.227,1370 0.187,1371 0.098,1372 8.586,1373 4.311,1374 6.83,1375 0.124,1376 0.056,1377 7.151,1378 3.062,1379 5.117,1380 0.078,1381 0.031,1382 5.327,1383 2.018,1384 0.353,1385 71.671,1386 0.245,1387 22.704,1388 0.623,1389 118,1390 344.007,1391 139.448,1392 366.82,1393 481.04,1394 340,1395 137,1396 317.107,1397 154.529,1398 333.581,1399 482.54,1400 315,1401 5.327}
{0 CHEMBL1406361,1 1.517,2 9.913,3 4.446,4 19.77,5 93.233,6 8.121,7 0.68,8 3.774,9 3.886,10 3.42,11 3.406,12 4.907,13 3.368,14 4.256,15 4.41,16 3.8,17 3.77,18 5.373,19 3.715,20 4.476,21 4.657,22 3.836,23 3.876,24 5.573,25 3.805,26 4.549,27 4.746,28 3.751,29 3.874,30 5.649,31 3.777,32 4.536,33 4.734,34 3.664,35 3.836,36 5.666,37 3.736,38 4.589,39 4.839,40 3.532,41 3.779,42 5.605,43 3.642,44 4.382,45 4.625,46 3.46,47 3.589,48 5.458,49 3.459,50 4.184,51 4.436,52 3.238,53 3.429,54 5.143,55 3.281,56 0.014,57 0.529,58 6.989,59 3.416,60 4.921,61 4.442,62 0.08,63 0.847,64 13.216,65 5.795,66 13.415,67 7.703,68 0.176,69 1.051,70 19.766,71 6.89,72 22.096,73 8.802,74 0.217,75 1.094,76 21.429,77 8.118,78 26.486,79 10.606,80 0.221,81 1.058,82 19.788,83 7.932,84 39.722,85 10.163,86 0.225,87 1.088,88 24.544,89 9.13,90 45.41,91 12.052,92 0.228,93 0.898,94 19.77,95 7.218,96 40.772,97 9.602,98 0.132,99 0.732,100 16.145,101 6.048,102 24.645,103 8.136,104 17,105 35,106 0.267,107 0.549,108 0.648,109 0.768,110 0.824,111 0.824,112 3.188,113 0.93,114 -5.21,115 -5.1,116 -4.77,120 47.5,121 2,143 10,144 1,145 3,153 2,159 1,174 7,177 7,180 1,182 3,185 10,189 3,194 3,197 8,200 1,201 4,204 1,206 1,209 11,214 3,219 2,222 12,227 4,232 2,235 8,240 5,245 2,247 5,252 1,257 1,260 7,264 1,271 9,274 723,275 15.345,276 15.345,277 15.345,278 15.345,279 15.345,280 13.061,281 16.633,282 9.038,283 15.625,284 12.312,285 12.312,286 12.312,287 12.312,288 12.312,289 8.976,290 17.817,291 4.297,292 12.824,293 3.805,294 2.199,295 1.637,296 0.957,297 0.638,298 0.638,299 3.865,303 1,306 1,307 1,308 487,309 2.739,312 66.154,313 159.003,320 1.49,321 15.719,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48.333,333 228,334 4.627,335 3.643,336 6.913,337 4.226,338 3.265,339 4.367,340 1.058,341 11.51,342 3.143,343 4.069,344 3.24,345 6.107,346 3.688,347 2.718,348 3.636,350 8.726,351 2.629,352 3.916,353 2.936,354 5.439,355 3.478,356 2.514,357 3.44,359 7.175,360 2.414,361 3.562,362 2.435,363 5.075,364 3.116,365 2.165,366 2.918,368 5.917,369 2.064,370 3.341,371 2.345,372 4.919,373 2.902,374 1.967,375 2.625,377 5.535,378 1.751,379 3.013,380 2.077,381 4.741,382 2.639,383 1.656,384 2.175,386 4.607,387 1.609,388 2.867,389 1.596,390 4.082,391 2.406,392 1.409,393 1.978,395 3.296,396 1.395,397 2.5,398 1.155,399 3.545,400 2,401 1,402 1.5,404 2.455,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.385,416 1,417 3.247,418 1.882,419 0.895,420 1.288,422 2.136,423 0.875,424 1.401,425 0.776,426 2.874,427 0.996,428 0.086,429 0.105,431 0.196,432 0.068,433 1.087,434 0.292,435 2.539,436 0.845,437 -0.134,438 -0.155,440 -0.313,441 -0.128,442 0.712,443 0.153,444 2.281,445 0.239,446 -0.65,447 -0.781,449 -1.596,450 -0.495,451 0.553,452 -0.423,453 2,454 0.218,455 -0.812,456 -1.051,458 -1.941,459 -0.822,460 0.5,461 -0.766,462 1.941,463 0.112,464 -0.873,465 -1.197,467 -2.024,468 -0.858,469 11.348,470 0.493,471 0.613,472 0.027,473 32.25,474 1.402,475 18,476 0.783,477 14.25,478 0.62,479 16.694,480 0.726,481 23.452,482 0.586,483 22.283,484 0.969,485 6.554,486 0.285,487 4.505,488 0.196,489 0.18,491 0.344,496 0.661,497 1.175,498 0.617,499 0.886,500 0.585,501 0.852,502 0.594,503 1.245,504 0.634,505 0.925,506 0.507,507 0.881,508 1.302,509 1.05,510 1.049,511 0.944,512 0.969,513 0.959,514 1.002,515 1.071,516 0.948,517 1.088,518 1.089,519 1.081,520 1.217,521 1.057,522 0.807,523 1.049,524 1.594,525 1.094,526 1.113,527 0.924,528 0.793,529 0.902,530 1.402,531 0.935,532 0.846,533 1.012,534 0.748,535 0.97,536 0.955,537 0.979,538 0.903,539 0.887,540 0.787,541 0.848,542 0.915,543 0.915,544 4.5,545 0.049,546 2.667,547 2.229,548 1.513,549 0.705,550 0.536,551 0.313,552 0.182,553 0.08,554 5524,555 15822,556 2.041,557 42.5,559 10,562 1,563 6,567 1.657,568 1.89,569 3.272,570 -0.369,572 1,575 60.68,576 1.517,577 3.123,578 3.685,579 4.365,580 4.684,581 4.684,582 2.752,583 3.795,584 4.493,585 3.395,586 859.061,587 7.738,588 9649.84,590 1,592 1,593 212.877,594 1.478,595 4.443,596 0.18,597 0.005,598 0.076,599 0.064,600 0.047,601 0.024,602 0.021,603 0.015,604 0.011,605 0.006,606 0.449,607 0.67,608 1,609 0.636,610 107.297,611 -0.027,612 -0.091,613 0.019,614 -0.009,615 -0.084,616 0.014,617 0.149,618 -0.188,619 0.102,620 -0.022,621 0.102,622 0.022,623 -0.21,624 0.045,625 -0.144,626 -0.04,627 -0.074,628 -0.07,629 0.03,630 -0.057,631 -0.115,632 -0.157,633 0.007,634 -0.148,635 -0.098,636 -0.065,637 -0.108,638 -0.127,639 -0.137,640 -0.164,641 -0.075,642 0.016,643 0.037,644 0.074,645 -0.091,646 0.067,647 0.129,648 -0.045,649 0.102,650 -0.005,651 0.141,652 0.012,653 -0.043,654 0.071,655 0.099,656 0.133,657 -0.016,658 0.096,659 1.789,660 5.559,661 0.739,662 18.677,663 0.998,664 1.112,665 3.977,666 15.817,667 0.71,668 3.258,669 3.584,670 3.85,671 4.111,672 4.263,673 4.22,674 4.29,675 4.331,676 4.317,677 4.317,678 5.691,679 0.67,680 324.83,681 3.258,682 4.796,683 5.645,684 6.526,685 7.396,686 8.283,687 9.162,688 10.054,689 10.938,690 11.833,691 5,698 1,699 1,709 10,714 6,715 1,716 17,723 1,737 1,738 40,739 18,740 2,741 25,743 42,744 19,745 16,746 3,747 9,748 1,752 3,753 3,754 1,759 2,768 17,769 2,772 1,778 1,782 1,786 1,789 17,790 2,791 1,792 4,793 1,797 2,803 1,804 1,818 1,822 1,823 2,855 3,859 2,860 1,862 23,871 1,885 1,886 2.5,889 1,893 12.167,894 7.843,895 5.056,896 2.311,898 2.888,899 1.426,900 1,901 4.44,902 9.668,903 3.57,904 4.193,905 4.774,906 5.355,907 5.799,908 5.926,909 6.255,910 6.576,911 6.819,912 7.094,913 0.857,914 35,915 8.463,917 3.538,918 7.729,919 16.118,921 12.975,924 2.229,925 51.278,928 1,929 188.338,930 134.831,931 19.91,932 39.149,933 25.145,936 134.831,937 252.631,938 19.91,939 17.65,940 18.011,941 94.762,942 29.85,943 14.099,944 5.513,945 188.338,946 39.149,947 188.338,948 154.741,949 25.145,950 39.149,952 188.338,953 25.145,956 37.56,957 117.18,958 39.149,960 188.338,961 45.055,962 173.979,965 188.338,966 22.418,967 114.312,968 18.011,969 64.294,970 188.338,971 45.055,972 173.979,973 0.584,974 0.344,975 0.188,976 0.101,977 17,978 8,979 0.071,980 3,982 1,983 3.492,984 181.973,986 17,987 96.042,993 15.691,994 6.508,995 3.272,997 43.156,998 19.007,1003 5.027,1004 2.08,1005 18.011,1006 407.372,1007 34.5,1013 12.559,1017 -0.123,1020 39.923,1021 44.472,1022 0.285,1023 0.587,1024 0.692,1025 0.82,1026 0.88,1027 0.88,1028 4.79,1029 1,1030 5.638,1031 3.296,1032 4.263,1033 4.879,1034 1.176,1035 6.46,1036 4.187,1037 6.015,1038 1,1039 7.207,1040 2.455,1041 3.892,1042 4.677,1044 7.402,1045 3.734,1046 7.327,1047 0.895,1048 8.879,1049 2.275,1050 5.861,1051 7.087,1052 1.255,1053 10.534,1054 5.71,1055 8.677,1056 0.086,1057 10.613,1058 2.136,1059 6.312,1060 7.705,1062 12.354,1063 6.089,1064 10.059,1065 -0.134,1066 12.388,1067 0.196,1068 7.773,1069 9.586,1070 1.338,1071 15.022,1072 7.548,1073 11.466,1074 -0.65,1075 14.194,1076 -0.313,1077 8.608,1078 10.608,1080 17.207,1081 8.323,1082 12.892,1083 -0.812,1084 16.023,1085 -1.596,1086 9.874,1087 12.257,1088 1.422,1089 19.721,1090 9.574,1091 3.265,1092 -0.873,1093 17.87,1094 -1.941,1095 10.891,1096 13.491,1098 22.057,1099 10.54,1100 2.718,1101 11.51,1102 19.733,1103 -2.024,1104 12.086,1105 15.035,1106 1.51,1107 24.52,1108 11.71,1109 2.514,1110 8.726,1111 21.607,1112 4.367,1113 13.187,1114 16.38,1116 26.917,1117 12.766,1118 2.165,1119 7.175,1120 23.491,1121 3.636,1122 14.361,1123 17.877,1124 1.599,1125 29.364,1126 13.908,1127 1.967,1128 5.917,1129 25.383,1130 3.44,1131 15.501,1132 19.281,1134 31.787,1135 15.006,1136 1.656,1137 5.535,1138 27.281,1139 2.918,1140 16.671,1141 20.759,1142 1.69,1143 34.229,1144 16.141,1145 1.409,1146 4.607,1147 29.185,1148 2.625,1149 17.83,1150 22.194,1152 36.663,1153 17.26,1154 5397,1155 9257,1156 16.414,1157 28.415,1158 38.001,1159 38.73,1160 39.11,1161 37.457,1162 37.35,1163 51.065,1164 2.117,1165 107.656,1166 35.896,1167 5.461,1168 5.643,1169 6.715,1170 5.255,1171 5.265,1172 7.367,1173 2.117,1174 18.893,1175 5.143,1176 11.627,1177 1.52,1178 1.549,1179 1.564,1180 1.498,1181 1.494,1182 2.043,1183 0.085,1184 4.306,1185 1.436,1186 4.081,1187 4.118,1188 4.053,1189 3.973,1190 7.429,1191 3.984,1192 3.896,1193 3.925,1194 3.974,1195 3.833,1196 4.948,1197 3.827,1198 3.77,1199 3.801,1200 3.707,1201 3.704,1202 4.847,1203 3.698,1204 3.32,1205 3.363,1206 3.422,1207 3.103,1208 4.575,1209 3.123,1210 3.178,1211 3.269,1212 3.111,1213 2.989,1214 4.368,1215 2.973,1216 2.866,1217 2.963,1218 2.934,1219 2.75,1220 3.865,1221 2.742,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.689,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.185,1235 0.146,1236 0.277,1237 0.169,1238 0.131,1239 4.627,1240 0.175,1241 3.643,1242 0.042,1243 6.913,1244 0.46,1245 4.226,1246 0.126,1247 3.265,1248 4.367,1249 1.058,1250 11.51,1251 3.143,1252 1.917,1253 1.884,1254 2.03,1255 2.027,1256 1.124,1257 2.029,1258 1.884,1259 1.859,1260 1.974,1261 1.979,1262 1.063,1263 1.984,1264 1.634,1265 1.611,1266 1.784,1267 1.752,1268 0.909,1269 1.76,1270 1.542,1271 1.484,1272 1.756,1273 1.715,1274 0.855,1275 1.733,1276 1.123,1277 1.06,1278 1.384,1279 1.406,1280 0.422,1281 1.406,1282 0.886,1283 0.821,1284 1.181,1285 1.099,1286 0.255,1287 1.131,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.868,1295 0.792,1296 1.156,1297 1.062,1298 0.218,1299 1.107,1300 3.932,1302 5.252,1303 2.398,1304 6.765,1305 4.844,1306 8.361,1307 7.018,1308 10.002,1310 3.954,1311 5.866,1317 2.907,1326 26.8,1327 60.68,1328 124.929,1329 147.393,1330 174.612,1331 187.367,1332 187.367,1333 34.041,1334 6.78,1335 34.03,1336 34.03,1337 17,1338 12.361,1339 4.248,1340 3.392,1341 36.85,1342 77,1343 85,1344 0.235,1345 170.416,1346 289.72,1347 407.575,1348 7047,1349 2.5,1350 16.397,1351 0.713,1352 0.598,1353 16.897,1354 13.763,1355 11.059,1356 0.442,1357 0.31,1358 7.35,1359 10.52,1360 7.046,1361 5.898,1362 11.347,1363 7.751,1364 10.05,1365 0.287,1366 0.167,1367 10.459,1368 5.853,1369 8.349,1370 0.182,1371 0.088,1372 8.638,1373 4.044,1374 7.034,1375 0.117,1376 0.047,1377 7.2,1378 2.825,1379 5.396,1380 0.077,1381 0.026,1382 5.631,1383 1.797,1384 0.365,1385 71.012,1386 0.247,1387 22.537,1388 0.657,1389 120,1390 325.917,1391 142.868,1392 354.229,1393 479.86,1394 330,1395 141,1396 336.978,1397 158.081,1398 354.49,1399 515.5,1400 334,1401 6.796}
{0 CHEMBL1407590,1 1.512,2 9.571,3 4.01,4 16.078,5 116.481,6 7.909,7 0.387,8 3.977,9 4.087,10 3.645,11 3.653,12 5.112,13 3.591,14 4.494,15 4.642,16 3.993,17 4.064,18 5.501,19 3.976,20 4.788,21 4.968,22 4.164,23 4.243,24 5.821,25 4.161,26 4.897,27 5.077,28 4.214,29 4.313,30 6.056,31 4.234,32 4.994,33 5.191,34 4.246,35 4.374,36 6.168,37 4.292,38 5.046,39 5.259,40 4.182,41 4.347,42 6.294,43 4.23,44 4.971,45 5.224,46 3.915,47 4.173,48 6.064,49 4.002,50 4.673,51 4.949,52 3.743,53 3.876,54 5.63,55 3.675,56 0.034,57 0.667,58 9.463,59 4.492,60 11.402,61 5.681,62 0.087,63 1.117,64 19.679,65 8.538,66 11.597,67 10.609,68 0.17,69 1.492,70 26.116,71 10.555,72 30.604,73 13.365,74 0.303,75 1.667,76 28.271,77 11.369,78 48.722,79 14.557,80 0.209,81 1.797,82 29.828,83 12.333,84 52.599,85 16.347,86 0.34,87 1.9,88 34.207,89 13.516,90 98.656,91 17.673,92 0.349,93 1.745,94 35.374,95 13.187,96 90.242,97 16.888,98 0.256,99 1.295,100 30.649,101 10.93,102 49.36,103 14.33,104 21,105 44,106 0.253,107 0.617,108 0.748,109 0.832,110 0.841,111 0.841,112 3.376,113 1.019,114 -4.45,115 -4.38,116 -4.12,120 46.9,122 3,123 1,125 1,137 2,139 1,140 1,143 9,144 1,145 2,157 1,159 1,164 1,165 1,166 1,174 13,177 8,179 1,180 1,182 1,185 18,187 1,189 7,194 1,197 15,199 1,200 2,201 8,203 1,204 1,206 5,209 16,211 5,214 6,219 5,222 17,224 5,226 1,227 12,229 1,230 1,232 4,235 19,237 4,240 5,247 12,252 5,257 1,260 12,262 1,271 7,274 1102,275 19.345,276 19.345,277 19.345,278 19.345,279 19.345,280 17.163,281 23.863,282 11.294,283 19.726,284 15.154,285 15.154,286 15.154,287 15.154,288 15.154,289 11.726,290 30.374,291 5.136,292 15.631,293 4.103,294 1.924,295 1.144,296 0.643,297 0.587,298 0.587,299 4.072,306 1,307 1,308 579,309 2.646,313 282.504,317 113.257,320 1.439,321 25.267,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58.5,333 268,334 4.722,335 4.327,336 7.242,337 4.411,338 3.434,339 4.177,340 2.95,341 12.857,342 3.368,343 4.114,344 4.167,345 6.536,346 3.818,347 2.854,348 3.647,349 2.278,350 10.195,351 2.744,352 4.075,353 3.807,354 6.192,355 3.644,356 2.642,357 3.471,358 1.277,359 8.88,360 2.648,361 3.91,362 3.384,363 5.544,364 3.437,365 2.487,366 3.382,367 1.248,368 7.186,369 2.366,370 3.52,371 3.163,372 5.258,373 3.128,374 2.17,375 2.802,376 0.961,377 6.448,378 2.063,379 3.385,380 2.554,381 5.067,382 2.934,383 1.935,384 2.474,385 0.3,386 5.642,387 1.918,388 3.157,389 2.503,390 4.641,391 2.555,392 1.565,393 2.064,395 4.366,396 1.539,397 2.916,398 2.337,399 4.053,400 2.419,401 1.424,402 1.716,404 3.263,405 1.415,406 2.641,407 1.914,408 3.726,409 2.195,410 1.217,411 1.5,413 2.812,414 1.186,415 2.5,416 1.578,417 3.48,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1.344,426 3.414,427 2,428 1,429 1.491,431 2.136,432 1,433 2.29,434 1.091,435 3.247,436 1.715,437 0.771,438 1.07,440 1.528,441 0.719,442 1.714,443 1,444 3.243,445 1.317,446 0.48,447 0.562,449 0.801,450 0.39,451 1.401,452 1,453 2.768,454 1.084,455 0.142,456 0.164,458 0.357,459 0.134,460 1.328,461 0.823,462 2.566,463 0.869,464 -0.14,465 -0.197,467 -0.264,468 -0.139,469 13.867,470 0.495,471 0.607,472 0.022,473 37,474 1.321,475 20,476 0.714,477 17,478 0.607,479 25.412,480 0.908,481 28.133,482 0.574,483 28.196,484 1.007,485 6.78,486 0.242,487 6.871,488 0.245,489 0.118,491 0.353,496 0.725,497 0.973,498 0.748,499 0.824,500 0.575,501 0.828,502 0.603,503 1.061,504 1.004,505 1.076,506 0.481,507 0.955,508 1.096,509 1.043,510 0.892,511 0.915,512 0.827,513 0.899,514 1.129,515 1.019,516 0.905,517 0.938,518 1.088,519 0.976,520 1.141,521 1.054,522 0.752,523 0.873,524 1.147,525 0.961,526 1.103,527 1.123,528 0.927,529 1.016,530 1.154,531 1.097,532 1.479,533 0.904,534 0.998,535 0.887,536 1.727,537 1.022,538 0.727,539 0.883,540 0.853,541 0.952,542 0.998,543 0.895,544 4,545 0.062,546 3.111,547 2.625,548 2.733,549 1.535,550 0.907,551 0.54,552 0.209,553 0.104,554 8177,555 21594,556 2.094,557 42.9,558 3,559 12,562 2,563 2,564 2,567 1.721,568 1.953,569 3.132,570 0.176,572 1,575 74.085,576 1.512,577 3.691,578 4.471,579 4.972,580 5.028,581 5.028,582 2.669,583 4.022,584 4.773,585 3.28,586 1239.87,587 8.362,588 15260.3,590 1,592 1,593 275.121,594 1.432,595 4.736,596 0.129,597 0.008,598 0.071,599 0.05,600 0.05,601 0.027,602 0.019,603 0.016,604 0.009,605 0.006,606 0.385,607 0.33,608 1,609 0.845,610 135.71,611 -0.049,612 0.058,613 0.053,614 0.085,615 -0.013,616 0.064,617 0.078,618 -0.06,619 -0.036,620 -0.07,621 0.014,622 -0.005,623 -0.078,624 -0.032,625 -0.012,626 0.005,627 -0.047,628 0.03,629 0.036,630 -0.005,631 -0.089,632 -0.067,633 -0.006,634 -0.068,635 -0.073,636 -0.074,637 -0.02,638 -0.045,639 -0.015,640 -0.041,641 0.049,642 -0.137,643 -0.088,644 -0.136,645 0.12,646 -0.16,647 -0.205,648 0.071,649 -0.044,650 0.053,651 -0.216,652 -0.045,653 0.152,654 0.047,655 0.296,656 0.133,657 0.006,658 0.171,659 1.733,660 6.019,661 0.786,662 23.071,663 0.993,664 1.109,665 3.216,666 10.342,667 0.714,668 3.466,669 3.807,670 4.174,671 4.522,672 4.844,673 4.984,674 5.147,675 5.288,676 5.323,677 5.293,678 5.443,679 0.667,680 387.54,681 3.466,682 5.017,683 5.905,684 6.817,685 7.731,686 8.657,687 9.582,688 10.514,689 11.445,690 12.38,691 6.1,692 1,697 1,700 1,709 9,714 3,716 12,732 1,738 49,739 16,740 2,741 31,743 52,744 23,745 12,746 3,747 9,748 3,752 4,753 5,763 3,764 1,766 3,767 1,768 17,769 5,770 1,772 3,778 1,782 5,786 1,789 21,790 4,791 2,792 5,793 1,797 3,803 0.75,804 1,823 4,827 1,833 1,836 1,845 1,846 2,848 1,855 3,856 1,857 1,859 1,862 28,863 1,869 3,873 1,874 1,875 1,877 1,882 1,884 1,886 2,889 1,893 14.333,894 9.15,895 6.333,896 2.95,898 2.406,899 1.315,900 1.007,901 5.195,902 10.044,903 3.761,904 4.317,905 4.913,906 5.491,907 6.054,908 6.34,909 6.738,910 7.159,911 7.427,912 7.652,913 0.857,914 52,915 10.395,917 4.522,918 7.732,919 19.948,921 16.863,924 2.232,925 62.5,927 1,928 1,929 223.651,930 172.984,931 67.081,933 25.145,935 32.22,936 140.764,937 248.796,938 67.081,939 7.19,940 40.501,941 85.286,942 49.637,943 50.376,945 255.87,947 223.651,948 207.845,949 25.145,950 32.22,952 200.109,953 48.687,956 71.56,957 133.528,958 2.757,959 32.22,960 223.651,961 92.226,962 172.984,965 223.651,966 63.905,967 95.601,968 16.602,969 89.101,970 223.651,971 92.226,972 172.984,973 0.575,974 0.364,975 0.215,976 0.127,977 22,978 10,979 0.058,980 3,981 1,982 1.091,983 3.714,984 265.116,985 0.091,986 22,987 126.606,989 1,993 18.714,994 7.773,995 3.242,997 92.226,998 17.802,1003 2.962,1005 32.897,1006 488.861,1007 42,1013 13.019,1017 2.618,1020 48.662,1021 54.361,1022 0.269,1023 0.657,1024 0.796,1025 0.885,1026 0.895,1027 0.895,1028 5.024,1029 1.424,1030 5.9,1031 4.366,1032 4.489,1033 5.004,1034 3.587,1035 6.792,1036 4.439,1037 6.239,1038 1.217,1039 7.505,1040 3.263,1041 4.111,1042 4.732,1043 1.185,1044 7.886,1045 4.033,1046 7.562,1047 1,1048 9.218,1049 2.812,1050 6.142,1051 7.156,1052 5.367,1053 11.077,1054 6.048,1055 8.92,1056 1,1057 10.998,1058 2.275,1059 6.635,1060 7.701,1061 2.129,1062 13.034,1063 6.509,1064 10.312,1065 0.771,1066 12.82,1067 2.136,1068 8.123,1069 9.578,1070 7.378,1071 15.77,1072 7.988,1073 11.729,1074 0.48,1075 14.673,1076 1.528,1077 9.012,1078 10.511,1079 3.556,1080 18.074,1081 8.85,1082 13.165,1083 0.142,1084 16.547,1085 0.801,1086 10.306,1087 12.147,1088 9.463,1089 20.67,1090 10.132,1091 3.434,1092 -0.14,1093 18.438,1094 0.357,1095 11.377,1096 13.286,1097 5.289,1098 23.116,1099 11.18,1100 2.854,1101 12.857,1102 20.343,1103 -0.264,1104 12.607,1105 14.806,1106 11.58,1107 25.672,1108 12.396,1109 2.642,1110 10.195,1111 22.258,1112 4.177,1113 13.76,1114 16.061,1115 7.088,1116 28.177,1117 13.529,1118 2.487,1119 8.88,1120 24.182,1121 3.647,1122 14.975,1123 17.524,1124 13.716,1125 30.723,1126 14.727,1127 2.17,1128 7.186,1129 26.113,1130 3.471,1131 16.166,1132 18.846,1133 8.88,1134 33.253,1135 15.899,1136 1.935,1137 6.448,1138 28.05,1139 3.382,1140 17.381,1141 20.282,1142 15.863,1143 35.8,1144 17.098,1145 1.565,1146 5.642,1147 29.993,1148 2.802,1149 18.591,1150 21.645,1151 10.654,1152 38.341,1153 18.289,1154 7925,1155 12972,1156 20.69,1157 34.972,1158 47.751,1159 52.517,1160 49.478,1161 46.13,1162 46.242,1163 60.041,1164 18.03,1165 137.493,1166 44.979,1167 5.696,1168 6.327,1169 7.044,1170 5.451,1171 5.434,1172 7.177,1173 5.9,1174 20.857,1175 5.368,1176 13.218,1177 1.54,1178 1.694,1179 1.596,1180 1.488,1181 1.492,1182 1.937,1183 0.582,1184 4.435,1185 1.451,1186 4.075,1187 4.103,1188 4.065,1189 4.004,1190 7.427,1191 4.004,1192 3.874,1193 3.902,1194 3.929,1195 3.828,1196 6.82,1197 3.814,1198 3.79,1199 3.821,1200 3.751,1201 3.727,1202 5.066,1203 3.714,1204 3.584,1205 3.631,1206 3.551,1207 3.472,1208 4.75,1209 3.471,1210 3.224,1211 3.288,1212 3.421,1213 3.188,1214 4.709,1215 3.088,1216 3.121,1217 3.178,1218 3.058,1219 2.931,1220 4.296,1221 2.948,1222 3.066,1223 3.123,1224 2.953,1225 2.902,1226 3.924,1227 2.892,1228 2.95,1229 3.052,1230 2.795,1231 2.735,1232 3.8,1233 2.733,1234 0.152,1235 0.14,1236 0.234,1237 0.142,1238 0.111,1239 4.722,1240 0.135,1241 4.327,1242 0.095,1243 7.242,1244 0.415,1245 4.411,1246 0.109,1247 3.434,1248 4.177,1249 2.95,1250 12.857,1251 3.368,1252 2.021,1253 1.998,1254 2.107,1255 2.117,1256 1.401,1257 2.115,1258 1.879,1259 1.853,1260 1.992,1261 1.953,1262 1.167,1263 1.971,1264 1.792,1265 1.763,1266 1.94,1267 1.892,1268 1.068,1269 1.914,1270 1.553,1271 1.513,1272 1.679,1273 1.706,1274 0.879,1275 1.707,1276 1.226,1277 1.169,1278 1.516,1279 1.409,1280 0.639,1281 1.488,1282 1.062,1283 1.009,1284 1.328,1285 1.305,1286 0.564,1287 1.307,1288 1.03,1289 0.977,1290 1.244,1291 1.233,1292 0.274,1293 1.251,1294 0.899,1295 0.829,1296 1.181,1297 1.201,1298 0.218,1299 1.168,1300 4.143,1302 5.476,1304 7.041,1306 8.717,1308 10.454,1310 2.025,1313 6.535,1315 2.086,1319 1.663,1320 -0.399,1321 1.901,1324 9.983,1325 2.306,1326 32.707,1327 74.085,1328 180.843,1329 219.082,1330 243.611,1331 246.366,1332 246.366,1333 55.256,1334 7.638,1335 70.12,1336 95.42,1337 24,1338 12.88,1339 4.087,1340 3.585,1341 41.938,1342 91,1343 116,1344 0.236,1345 205.129,1346 366.48,1347 492.276,1348 18911,1350 19.673,1351 0.703,1352 0.589,1353 20.027,1354 16.5,1355 13.651,1356 0.44,1357 0.34,1358 9.359,1359 12.9,1360 8.981,1361 7.434,1362 14.209,1363 10.53,1364 11.822,1365 0.269,1366 0.177,1367 12.315,1368 7.805,1369 10.743,1370 0.168,1371 0.096,1372 11.236,1373 6.12,1374 9.495,1375 0.104,1376 0.049,1377 9.817,1378 4.496,1379 8.135,1380 0.065,1381 0.027,1382 8.404,1383 3.369,1384 0.351,1385 89.205,1386 0.22,1387 25.801,1388 0.713,1389 150,1390 381.198,1391 175.902,1392 404.237,1393 556.05,1394 378,1395 183,1396 397.83,1397 203.851,1398 420.187,1399 616.24,1400 396,1401 4.569}
{0 CHEMBL1408298,1 1.845,2 11.24,3 3.45,4 11.903,5 99.144,6 8.791,7 0.462,8 3.828,9 3.933,10 3.508,11 3.321,12 5.133,13 3.325,14 4.261,15 4.393,16 3.836,17 3.631,18 5.648,19 3.626,20 4.476,21 4.644,22 3.914,23 3.729,24 5.778,25 3.706,26 4.48,27 4.647,28 3.891,29 3.676,30 5.873,31 3.652,32 4.475,33 4.658,34 3.808,35 3.65,36 5.813,37 3.578,38 4.368,39 4.575,40 3.747,41 3.548,42 5.735,43 3.445,44 4.195,45 4.419,46 3.493,47 3.369,48 5.492,49 3.264,50 3.987,51 4.197,52 3.355,53 3.248,54 5.19,55 3.175,56 0.229,57 0.609,58 6.51,59 3.393,60 11.089,61 3.803,62 0.371,63 0.89,64 12.512,65 5.249,66 48.976,67 6.215,68 0.545,69 1.048,70 19.744,71 6.888,72 41.924,73 7.894,74 0.603,75 1.019,76 17.803,77 6.385,78 54.861,79 7.064,80 0.67,81 1.014,82 22.127,83 6.919,84 75.307,85 7.393,86 0.594,87 0.921,88 22.428,89 6.738,90 76.195,91 7.472,92 0.476,93 0.766,94 18.825,95 5.593,96 56.712,97 6.663,98 0.329,99 0.636,100 14.862,101 4.507,102 30.965,103 5.201,104 31,105 34,106 0.324,107 0.669,108 0.789,109 0.865,110 0.894,111 0.902,112 3.266,113 0.89,114 -3.77,115 -3.73,116 -3.55,120 39,121 1,126 1,143 7,144 1,145 4,156 1,160 1,167 2,170 1,174 6,176 1,177 4,181 1,182 2,185 4,189 7,192 3,194 5,197 2,201 7,204 3,206 4,209 1,213 1,214 4,217 1,218 1,219 5,222 2,226 1,227 2,230 3,232 3,235 1,239 2,240 2,244 1,245 1,247 1,252 1,255 1,257 2,260 3,264 3,269 1,271 4,274 895,275 16.681,276 16.681,277 16.681,278 16.681,279 16.681,280 14.484,281 17.942,282 10.156,283 17.182,284 12.772,285 12.772,286 12.772,287 12.772,288 12.772,289 9.545,290 20.139,291 4.678,292 13.522,293 3.512,294 1.543,295 0.858,296 0.427,297 0.262,298 0.214,299 3.929,305 1,306 1,307 1,308 574,309 3.808,313 190.16,320 1.69,321 32.576,323 1,324 1,325 1,326 1,327 0.6,329 0.83,330 1,331 0.78,332 56,333 281,334 4.392,335 3.829,336 6.414,337 3.942,338 2.981,339 4.097,340 2.612,341 9.796,342 2.867,343 4.35,344 3.752,345 6.395,346 3.935,347 2.972,348 4.021,349 1.737,350 9.677,351 2.856,352 3.724,353 3.223,354 5.213,355 3.245,356 2.353,357 3.045,358 0.86,359 6.373,360 2.1,361 3.496,362 2.636,363 5.169,364 3.049,365 2.106,366 2.805,367 0.142,368 6.201,369 1.976,370 3.402,371 2.472,372 4.68,373 2.833,374 1.87,375 2.657,377 4.818,378 1.786,379 2.881,380 1.899,381 3.942,382 2.422,383 1.442,384 2.037,386 3.215,387 1.41,388 2.865,389 1.556,390 3.725,391 2.393,392 1.414,393 2.014,395 3.141,396 1.38,397 2.711,398 1.531,399 3.48,400 2.14,401 1.237,402 1.628,404 2.575,405 1.105,406 2.606,407 1.4,408 3.466,409 2,410 1,411 1.593,413 2.304,414 1,415 2.192,416 1.325,417 3.209,418 1.935,419 1,420 1.159,422 1.902,423 0.925,424 1.423,425 1,426 2.811,427 1.211,428 0.281,429 0.307,431 0.593,432 0.258,433 1.295,434 0.811,435 2.371,436 0.897,437 -0.032,438 -0.04,440 -0.074,441 -0.03,442 1.129,443 0.566,444 2.315,445 0.716,446 -0.226,447 -0.285,449 -0.471,450 -0.208,451 1,452 0.284,453 2,454 0.323,455 -0.6,456 -0.762,458 -1.202,459 -0.541,460 0.84,461 -0.197,462 2,463 0.173,464 -0.789,465 -1.079,467 -1.863,468 -0.741,469 11.767,470 0.471,471 0.562,472 0.022,473 34.5,474 1.38,475 19,476 0.76,477 15.5,478 0.62,479 16.568,480 0.663,481 27.233,482 0.664,483 26.627,484 1.065,485 7.222,486 0.289,487 4.802,488 0.192,489 0.198,491 0.289,496 0.677,497 1.014,498 0.624,499 0.81,500 0.668,501 0.844,502 0.764,503 1.249,504 0.682,505 1.04,506 0.502,507 0.986,508 0.926,509 1.108,510 0.915,511 1.04,512 0.663,513 0.945,514 1.189,515 1.159,516 0.918,517 0.94,518 1.105,519 1.01,520 1.278,521 1.059,522 1.256,523 1.045,524 1.403,525 1.044,526 0.89,527 1.004,528 1.207,529 1.125,530 0.965,531 1.015,532 0.73,533 0.95,534 1.108,535 1.027,536 0.689,537 0.946,538 0.797,539 0.829,540 1.104,541 1.001,542 0.64,543 0.854,544 4.5,545 0.149,546 2.889,547 1.938,548 1.236,549 0.757,550 0.364,551 0.203,552 0.185,553 0.169,554 7138,555 26168,556 1.95,557 39,559 9,561 1,562 3,564 3,567 1.676,568 1.807,569 3.435,570 1.084,572 1,575 75.66,576 1.845,577 3.815,578 4.5,579 4.93,580 5.095,581 5.144,582 2.884,583 4.324,584 4.62,585 3.637,586 1091.16,587 7.965,588 14017.5,589 1,590 1,592 1,593 219.66,594 1.469,595 4.56,596 0.173,597 0.007,598 0.085,599 0.054,600 0.037,601 0.027,602 0.015,603 0.01,604 0.01,605 0.008,606 0.427,607 0.33,608 1,609 1.127,610 123.276,611 0.08,612 0.132,613 0.006,614 0.064,615 -0.075,616 0.025,617 0.068,618 -0.198,619 0.067,620 -0.126,621 0.163,622 -0.062,623 0.006,624 -0.089,625 0.017,626 -0.071,627 0.044,628 0.007,629 -0.115,630 -0.147,631 -0.035,632 -0.044,633 -0.057,634 -0.107,635 -0.191,636 -0.044,637 -0.137,638 0.001,639 -0.23,640 -0.092,641 0.038,642 0.026,643 0.046,644 0.008,645 0.021,646 -0.005,647 0.097,648 0.058,649 0.076,650 0.054,651 0.092,652 0.085,653 -0.021,654 0.215,655 0.03,656 0.082,657 0.009,658 0.165,659 2.508,660 4.05,661 0.48,662 21.472,663 1.027,664 1.128,665 2.539,666 6.447,667 0.684,668 3.296,669 3.555,670 3.761,671 3.932,672 4.025,673 3.912,674 3.829,675 3.761,676 3.738,677 3.85,678 6.821,679 0.666,680 360.43,681 3.296,682 4.796,683 5.609,684 6.454,685 7.286,686 8.134,687 8.97,688 9.819,689 10.658,690 11.507,691 9.8,698 2,700 1,702 1,709 7,714 5,716 12,731 1,734 1,735 1,738 41,739 16,740 2,741 26,743 42,744 16,745 12,746 5,747 7,748 1,752 2,753 2,755 1,757 1,759 1,768 14,769 2,772 4,775 1,778 2,779 1,780 1,781 1,782 1,785 1,786 1,789 16,790 7,791 3,792 9,793 1,797 4,803 1,804 4,823 2,855 2,857 1,859 1,862 25,868 1,869 1,871 2,872 1,886 9.8,888 1,891 1,892 2,893 13.833,894 7.433,895 5.778,896 2.297,898 2.999,899 1.455,900 0.915,901 6.973,902 9.591,903 3.611,904 4.159,905 4.64,906 5.152,907 5.57,908 5.623,909 5.771,910 5.826,911 5.906,912 6.306,913 1,914 36,915 9.148,917 3.759,918 8.167,919 16.598,921 12.513,924 2.667,925 66.667,928 1,929 153.024,930 148.218,931 58.232,933 104.43,935 45.192,936 103.026,937 257.454,938 58.232,939 14.495,940 40.491,941 66.334,942 63.502,943 41.605,944 0.285,945 141.253,946 95.939,947 153.024,948 161.258,949 104.43,950 45.192,952 117.711,953 88.997,954 50.747,956 65.98,957 80.561,958 14.717,959 45.192,960 153.024,961 162.662,962 148.218,965 153.024,966 18.819,967 89.876,968 35.899,969 166.285,970 153.024,971 162.662,972 148.218,973 0.563,974 0.328,975 0.178,976 0.091,977 13,978 7,979 0.143,980 6,982 1,983 3.694,984 185.345,986 12,987 114.096,990 1,993 18.955,994 9.197,995 5.304,997 156.992,998 11.13,1003 0.908,1005 78.582,1006 463.904,1007 36,1010 -0.508,1013 21.915,1014 5.052,1015 1.366,1016 3.91,1017 0.075,1020 42.094,1021 46.242,1022 0.344,1023 0.712,1024 0.84,1025 0.92,1026 0.951,1027 0.96,1028 4.804,1029 1.237,1030 5.572,1031 3.141,1032 4.234,1033 4.844,1034 2.934,1035 6.333,1036 4.131,1037 6.003,1038 1,1039 7.107,1040 2.575,1041 3.761,1042 4.649,1043 2.587,1044 7.195,1045 3.589,1046 7.298,1047 1,1048 8.75,1049 2.304,1050 5.771,1051 7.005,1052 4.346,1053 10.268,1054 5.578,1055 8.632,1056 0.281,1057 10.457,1058 1.902,1059 6.133,1060 7.631,1061 4.626,1062 11.971,1063 5.876,1064 9.997,1065 -0.032,1066 12.205,1067 0.593,1068 7.607,1069 9.467,1070 6.033,1071 14.551,1072 7.336,1073 11.385,1074 -0.226,1075 13.98,1076 -0.074,1077 8.36,1078 10.478,1079 6.611,1080 16.585,1081 8.033,1082 12.791,1083 -0.6,1084 15.776,1085 -0.471,1086 9.61,1087 12.094,1088 7.832,1089 18.988,1090 9.266,1091 2.981,1092 -0.789,1093 17.586,1094 -1.202,1095 10.545,1096 13.295,1097 8.573,1098 21.16,1099 10.152,1100 2.972,1101 9.796,1102 19.406,1103 -1.863,1104 11.701,1105 14.806,1106 9.687,1107 23.492,1108 11.285,1109 2.353,1110 9.677,1111 21.234,1112 4.097,1113 12.72,1114 16.103,1115 10.52,1116 25.722,1117 12.259,1118 2.106,1119 6.373,1120 23.068,1121 4.021,1122 13.836,1123 17.563,1124 11.571,1125 28.023,1126 13.348,1127 1.87,1128 6.201,1129 24.907,1130 3.045,1131 14.893,1132 18.91,1133 12.457,1134 30.279,1135 14.363,1136 1.442,1137 4.818,1138 26.75,1139 2.805,1140 15.993,1141 20.343,1142 13.471,1143 32.567,1144 15.431,1145 1.414,1146 3.215,1147 28.595,1148 2.657,1149 17.068,1150 21.715,1151 14.388,1152 34.834,1153 16.465,1154 7234,1155 14030,1156 16.701,1157 28.057,1158 37.623,1159 40.122,1160 39.467,1161 37.394,1162 37.314,1163 50.725,1164 10.703,1165 101.193,1166 35.326,1167 5.235,1168 5.829,1169 6.183,1170 4.978,1171 4.981,1172 7.097,1173 4.612,1174 16.569,1175 4.867,1176 14.468,1177 1.447,1178 1.543,1179 1.518,1180 1.438,1181 1.435,1182 1.951,1183 0.412,1184 3.892,1185 1.359,1186 3.999,1187 4.029,1188 4.014,1189 3.874,1190 7.815,1191 3.882,1192 3.927,1193 3.944,1194 3.886,1195 3.835,1196 6.999,1197 3.842,1198 3.532,1199 3.591,1200 3.817,1201 3.377,1202 6.468,1203 3.325,1204 3.476,1205 3.526,1206 3.432,1207 3.263,1208 4.967,1209 3.245,1210 3.434,1211 3.486,1212 3.306,1213 3.036,1214 4.767,1215 3.133,1216 3.147,1217 3.208,1218 3.13,1219 3.011,1220 4.675,1221 3.001,1222 2.935,1223 2.964,1224 2.816,1225 2.725,1226 4.499,1227 2.739,1228 2.823,1229 2.887,1230 2.779,1231 2.714,1232 4.266,1233 2.687,1234 0.169,1235 0.147,1236 0.247,1237 0.152,1238 0.115,1239 4.392,1240 0.158,1241 3.829,1242 0.1,1243 6.414,1244 0.377,1245 3.942,1246 0.11,1247 2.981,1248 4.097,1249 2.612,1250 9.796,1251 2.867,1252 1.915,1253 1.888,1254 2.006,1255 2.087,1256 1.084,1257 2.049,1258 1.888,1259 1.872,1260 1.98,1261 1.999,1262 1.075,1263 1.991,1264 1.466,1265 1.395,1266 1.787,1267 1.717,1268 0.924,1269 1.736,1270 1.364,1271 1.311,1272 1.449,1273 1.671,1274 0.406,1275 1.604,1276 1.195,1277 1.165,1278 1.29,1279 1.597,1280 0.3,1281 1.548,1282 1.097,1283 1.05,1284 1.243,1285 1.296,1286 0.213,1287 1.301,1288 0.851,1289 0.821,1290 1.087,1291 1.141,1292 0.14,1293 1.115,1294 0.817,1295 0.764,1296 1.039,1297 1.017,1298 0.047,1299 1.042,1300 3.97,1302 5.242,1304 6.711,1306 8.275,1308 9.889,1310 1.814,1314 10.05,1315 0.427,1317 5.242,1318 5.285,1326 27.293,1327 75.66,1328 156.399,1329 184.498,1330 202.15,1331 208.905,1332 210.905,1333 60.769,1334 6.592,1335 111.7,1336 143.79,1337 12,1338 12.067,1339 4.087,1340 3.459,1341 51.964,1342 105,1343 96,1344 0.243,1345 177.408,1346 312.75,1347 424.635,1348 6236,1350 18.234,1351 0.729,1352 0.565,1353 18.734,1354 14.117,1355 12.024,1356 0.462,1357 0.297,1358 7.203,1359 11.116,1360 7.036,1361 5.883,1362 12.313,1363 7.716,1364 10.323,1365 0.304,1366 0.151,1367 10.731,1368 5.134,1369 8.098,1370 0.193,1371 0.077,1372 8.36,1373 3.242,1374 6.508,1375 0.13,1376 0.043,1377 6.761,1378 2.127,1379 4.778,1380 0.087,1381 0.023,1382 4.984,1383 1.288,1384 0.391,1385 79.778,1386 0.245,1387 24.727,1388 0.636,1389 120,1390 462.173,1391 150.965,1392 461.877,1393 602.25,1394 424,1395 136,1396 422.574,1397 161.674,1398 425.864,1399 609.43,1400 398,1401 5.448}
{0 CHEMBL1408404,1 1.685,2 11.292,3 3.588,4 12.877,5 94.076,6 8.652,7 0.48,8 3.735,9 3.823,10 3.474,11 3.397,12 5.018,13 3.35,14 4.211,15 4.351,16 3.795,17 3.723,18 5.413,19 3.652,20 4.38,21 4.536,22 3.938,23 3.854,24 5.621,25 3.771,26 4.437,27 4.597,28 3.908,29 3.812,30 5.806,31 3.71,32 4.367,33 4.535,34 3.666,35 3.697,36 5.631,37 3.6,38 4.252,39 4.426,40 3.692,41 3.645,42 5.63,43 3.56,44 4.334,45 4.574,46 3.483,47 3.619,48 5.477,49 3.495,50 4.179,51 4.396,52 3.279,53 3.444,54 5.401,55 3.32,56 0.025,57 0.512,58 6.022,59 3.51,60 10.746,61 3.965,62 0.228,63 0.822,64 15.17,65 6.303,66 28.67,67 7.06,68 0.174,69 0.986,70 16.048,71 7.135,72 29.872,73 7.885,74 0.355,75 1.071,76 20.893,77 7.782,78 59.448,79 8.034,80 0.31,81 0.943,82 21.653,83 7.762,84 67.633,85 7.713,86 0.246,87 0.885,88 14.314,89 5.81,90 55.761,91 6.877,92 0.207,93 0.956,94 17.322,95 6.496,96 50.524,97 8.464,98 0.211,99 0.783,100 16.268,101 6.077,102 47.976,103 7.102,104 37,105 33,106 0.297,107 0.65,108 0.782,109 0.826,110 0.835,111 0.835,112 3.228,113 0.993,114 -3.56,115 -3.53,116 -3.37,120 46.2,121 2,126 2,143 5,144 4,147 1,148 1,159 3,174 8,176 1,177 9,185 10,189 6,197 7,200 3,201 10,209 7,214 3,222 5,226 2,227 7,235 8,240 4,247 7,252 5,260 6,263 1,264 6,271 2,274 870,275 16.248,276 16.248,277 16.248,278 16.248,279 16.248,280 14.473,281 17.675,282 9.662,283 16.701,284 12.136,285 12.136,286 12.136,287 12.136,288 12.136,289 9.182,290 14.565,291 4.31,292 12.766,293 3.6,294 1.601,295 0.849,296 0.603,297 0.552,298 0.552,299 3.89,305 1,306 1,307 1,308 550,309 3.464,313 177.454,320 1.674,321 27.731,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51.5,333 271,334 4.464,335 4.484,336 6.487,337 4.048,338 3.08,339 4.152,340 3.272,341 10.089,342 2.987,343 4.103,344 4.057,345 6.01,346 3.651,347 2.672,348 3.689,349 2.035,350 8.481,351 2.629,352 3.974,353 4.027,354 5.478,355 3.538,356 2.576,357 3.341,358 2.035,359 7.327,360 2.452,361 3.659,362 3.68,363 5.108,364 3.162,365 2.179,366 2.883,367 1.674,368 6.266,369 2.139,370 3.445,371 3.08,372 4.915,373 2.913,374 1.958,375 2.569,377 5.378,378 1.855,379 3.137,380 2.611,381 4.448,382 2.501,383 1.605,384 2.062,386 4.312,387 1.412,388 2.961,389 2.45,390 3.592,391 2,392 1.084,393 1.5,395 2.285,396 1,397 2.778,398 2.118,399 3.414,400 1.989,401 1,402 1.317,404 2.275,405 0.964,406 2.5,407 1.87,408 3.115,409 1.699,410 0.755,411 1.135,413 1.433,414 0.696,415 2.121,416 1.807,417 2.881,418 1.586,419 0.63,420 0.955,422 1.082,423 0.598,424 1.934,425 1.131,426 2.713,427 1.29,428 0.4,429 0.63,431 0.633,432 0.351,433 1.414,434 1,435 2.55,436 0.848,437 -0.103,438 -0.151,440 -0.179,441 -0.096,442 1.006,443 0.337,444 2.245,445 0.525,446 -0.41,447 -0.546,449 -0.845,450 -0.38,451 0.733,452 0.266,453 2.057,454 0.394,455 -0.585,456 -0.693,458 -0.917,459 -0.563,460 0.65,461 0.184,462 2,463 0.227,464 -0.73,465 -1.025,467 -1.872,468 -0.677,469 11.7,470 0.488,471 0.503,472 0.021,473 34.25,474 1.427,475 20,476 0.833,477 14.25,478 0.594,479 17.467,480 0.728,481 24.3,482 0.623,483 23.825,484 0.993,485 6.489,486 0.27,487 5.094,488 0.212,489 0.182,491 0.299,496 0.67,497 1.042,498 0.7,499 0.917,500 0.484,501 0.874,502 0.737,503 0.984,504 0.962,505 1.008,506 0.449,507 0.852,508 1.038,509 1.013,510 0.89,511 0.904,512 0.693,513 0.891,514 1.21,515 1.049,516 1.35,517 1.206,518 1.264,519 1.084,520 1.629,521 1.061,522 1.494,523 1.194,524 1.45,525 1.037,526 0.593,527 1.125,528 0.877,529 1.101,530 0.688,531 1.132,532 0.653,533 0.897,534 0.804,535 0.838,536 0.903,537 0.967,538 1.077,539 1.006,540 1.118,541 1.026,542 1.208,543 1.07,544 5,545 0.099,546 2.889,547 1.375,548 1.467,549 0.958,550 0.385,551 0.311,552 0.25,553 0.151,554 5973,555 20634,556 1.948,557 38.5,559 9,563 3,564 3,567 1.668,568 1.8,569 3.431,570 -0.74,572 1,574 1,575 65.714,576 1.685,577 3.684,578 4.436,579 4.683,580 4.734,581 4.734,582 2.924,583 4.137,584 4.55,585 3.571,586 985.502,587 7.85,588 11799.3,589 1,590 1,591 1,592 1,593 206.131,594 1.49,595 4.498,596 0.2,597 0.007,598 0.088,599 0.038,600 0.046,601 0.034,602 0.014,603 0.014,604 0.013,605 0.009,606 0.463,607 0.33,608 1,609 1.42,610 115.364,611 -0.014,612 -0.065,613 0.053,615 0.032,616 -0.002,617 0.162,618 -0.016,619 0.073,620 0.05,621 0.092,622 0.111,623 -0.101,624 -0.021,625 0.096,626 0.102,627 -0.01,628 0.052,629 -0.009,631 -0.131,632 -0.088,633 -0.087,634 -0.141,635 -0.305,636 -0.081,637 -0.277,638 -0.068,639 -0.222,640 -0.061,641 0.179,642 -0.105,643 -0.006,644 -0.191,645 0.135,646 -0.205,647 -0.027,648 0.083,649 0.068,650 0.06,651 -0.097,652 0.049,653 -0.148,654 -0.058,655 -0.126,656 -0.045,657 -0.166,658 -0.056,659 2.136,660 4.88,661 0.5,662 22.958,663 1.009,664 1.111,665 2.328,666 5.418,667 0.722,668 3.258,669 3.526,670 3.761,671 3.932,672 4.127,673 4.143,674 4.078,675 4.06,676 4.127,677 4.127,678 6.333,679 0.688,680 337.43,681 3.258,682 4.762,683 5.587,684 6.438,685 7.284,686 8.142,687 8.995,688 9.856,689 10.713,690 11.577,691 7.7,700 2,701 1,709 5,710 1,714 6,716 12,718 2,726 1,738 39,739 15,740 1,741 25,743 40,744 18,745 11,746 2,747 4,748 1,752 2,753 2,759 2,767 2,768 12,769 4,772 1,778 1,782 1,785 1,786 1,789 15,790 5,792 6,793 1,797 3,803 1,804 2,816 1,823 2,855 2,856 1,857 1,859 2,862 24,869 2,872 1,873 1,877 2,882 2,884 2,886 5.1,889 1,891 1,893 13.333,894 8.017,895 5.667,896 2.401,898 2.612,899 1.396,900 0.933,901 6.101,902 9.207,903 3.611,904 4.111,905 4.696,906 5.186,907 5.691,908 5.927,909 6.024,910 6.061,911 6.37,912 6.725,913 0.875,914 36,915 8.802,917 3.588,918 8.042,919 16.315,921 12.553,924 2.542,925 61,929 176.567,930 159.759,931 78.904,933 36.145,935 32.22,936 127.539,937 212.711,938 78.904,939 17.65,940 5.492,941 47.381,942 82.325,943 88.618,944 1.122,945 208.786,947 176.567,948 206.444,949 36.145,950 32.22,952 141.253,953 71.458,956 88.018,957 101.64,958 16.786,959 32.22,960 176.567,961 115.049,962 159.759,965 176.567,966 61.524,967 65.032,968 33.203,969 115.049,970 176.567,971 115.049,972 159.759,973 0.561,974 0.339,975 0.177,976 0.095,977 13,978 7,979 0.15,980 6,982 1,983 3.553,984 179.38,986 12,987 106.039,989 1,993 17.701,994 8.272,995 4.438,997 115.049,998 8.781,999 4.383,1003 3.409,1006 451.375,1007 36,1013 11.88,1017 -0.47,1020 39.338,1021 43.325,1022 0.319,1023 0.697,1024 0.839,1025 0.886,1026 0.896,1027 0.896,1028 4.836,1029 1,1030 5.557,1031 2.285,1032 4.205,1033 4.796,1034 3.797,1035 6.33,1036 4.118,1037 6.053,1038 0.755,1039 7.101,1040 2.275,1041 3.761,1042 4.543,1044 7.195,1045 3.687,1046 7.355,1047 0.63,1048 8.744,1049 1.433,1050 5.765,1051 6.967,1052 5.751,1053 10.236,1054 5.619,1055 8.689,1056 0.4,1057 10.443,1058 1.082,1059 6.133,1060 7.539,1062 11.895,1063 5.992,1064 10.051,1065 -0.103,1066 12.178,1067 0.633,1068 7.594,1069 9.409,1070 7.932,1071 14.46,1072 7.398,1073 11.432,1074 -0.41,1075 13.937,1076 -0.179,1077 8.336,1078 10.364,1080 16.458,1081 8.131,1082 12.829,1083 -0.585,1084 15.713,1085 -0.845,1086 9.578,1087 11.997,1088 10.226,1089 18.855,1090 9.332,1091 3.08,1092 -0.73,1093 17.503,1094 -0.917,1095 10.503,1096 13.153,1098 21.012,1099 10.236,1100 2.672,1101 10.089,1102 19.304,1103 -1.872,1104 11.656,1105 14.673,1106 12.567,1107 23.345,1108 11.354,1109 2.576,1110 8.481,1111 21.113,1112 4.152,1113 12.671,1114 15.94,1116 25.577,1117 12.344,1118 2.179,1119 7.327,1120 22.93,1121 3.689,1122 13.79,1123 17.403,1124 14.926,1125 27.888,1126 13.431,1127 1.958,1128 6.266,1129 24.753,1130 3.341,1131 14.851,1132 18.732,1134 30.157,1135 14.463,1136 1.605,1137 5.378,1138 26.581,1139 2.883,1140 15.959,1141 20.168,1142 17.293,1143 32.461,1144 15.541,1145 1.084,1146 4.312,1147 28.414,1148 2.569,1149 17.045,1150 21.534,1152 34.748,1153 16.596,1154 6139,1155 11518,1156 16.008,1157 28.142,1158 38.467,1159 44.583,1160 38.241,1161 35.812,1162 35.878,1163 48.468,1164 18.032,1165 99.122,1166 34.167,1167 5.3,1168 6.484,1169 6.256,1170 5.169,1171 5.08,1172 7.152,1173 6.545,1174 16.867,1175 4.987,1176 14.101,1177 1.539,1178 1.783,1179 1.53,1180 1.432,1181 1.435,1182 1.939,1183 0.721,1184 3.965,1185 1.367,1186 3.972,1187 3.994,1188 4.07,1189 3.922,1190 7.433,1191 3.908,1192 3.896,1193 3.92,1194 3.851,1195 3.824,1196 6.822,1197 3.828,1198 3.533,1199 3.58,1200 3.597,1201 3.347,1202 6.818,1203 3.333,1204 3.341,1205 3.388,1206 3.353,1207 3.25,1208 4.789,1209 3.218,1210 3.281,1211 3.334,1212 3.209,1213 3.143,1214 4.676,1215 3.15,1216 3.12,1217 3.155,1218 3.105,1219 2.909,1220 4.444,1221 2.908,1222 2.942,1223 3.003,1224 2.943,1225 2.794,1226 3.856,1227 2.774,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.792,1233 2.715,1234 0.179,1235 0.179,1236 0.259,1237 0.162,1238 0.123,1239 4.464,1240 0.166,1241 4.484,1242 0.131,1243 6.487,1244 0.404,1245 4.048,1246 0.119,1247 3.08,1248 4.152,1249 3.272,1250 10.089,1251 2.987,1252 1.931,1253 1.91,1254 2.02,1255 2.005,1256 1.169,1257 2.014,1258 1.87,1259 1.85,1260 1.937,1261 1.971,1262 1.048,1263 1.967,1264 1.483,1265 1.424,1266 1.796,1267 1.734,1268 0.933,1269 1.753,1270 1.323,1271 1.284,1272 1.537,1273 1.475,1274 0.691,1275 1.505,1276 1.247,1277 1.197,1278 1.412,1279 1.403,1280 0.569,1281 1.424,1282 1.024,1283 0.989,1284 1.181,1285 1.303,1286 0.218,1287 1.256,1288 0.886,1289 0.821,1290 1.141,1291 1.074,1292 0.134,1293 1.107,1294 0.867,1295 0.816,1296 1.001,1297 1.062,1298 0.029,1299 1.076,1300 3.932,1302 5.209,1304 6.693,1306 8.272,1308 9.9,1310 3.451,1315 0.89,1318 4.978,1319 1.417,1324 18.125,1325 4.155,1326 26.842,1327 65.714,1328 143.692,1329 173.011,1330 182.621,1331 184.621,1332 184.621,1333 54.577,1334 6.594,1335 86.77,1336 112.07,1337 12,1338 12.126,1339 4,1340 3.585,1341 48.544,1342 89,1343 102,1344 0.266,1345 175.951,1346 313.49,1347 421.08,1348 5539,1350 17.527,1351 0.73,1352 0.591,1353 17.88,1354 14.184,1355 11.583,1356 0.463,1357 0.331,1358 7.303,1359 10.764,1360 6.945,1361 5.818,1362 12.037,1363 8.279,1364 9.679,1365 0.293,1366 0.178,1367 10.23,1368 5.868,1369 8.136,1370 0.194,1371 0.103,1372 8.859,1373 4.315,1374 6.313,1375 0.126,1376 0.059,1377 7.122,1378 2.973,1379 4.775,1380 0.078,1381 0.034,1382 5.498,1383 2.055,1384 0.42,1385 76.642,1386 0.25,1387 23.676,1388 0.721,1389 116,1390 399.267,1391 148.148,1392 412.217,1393 543.62,1394 382,1395 133,1396 364.782,1397 161.524,1398 386.361,1399 555.44,1400 360,1401 4.378}
{0 CHEMBL1409113,1 1.392,2 6.4,3 2.491,4 6.204,5 79.239,6 7.343,7 0.545,8 3.672,9 3.801,10 3.234,11 3.279,12 4.817,13 3.244,14 4.195,15 4.375,16 3.582,17 3.693,18 5.189,19 3.627,20 4.484,21 4.697,22 3.702,23 3.872,24 5.465,25 3.784,26 4.564,27 4.806,28 3.69,29 3.873,30 5.611,31 3.771,32 4.491,33 4.707,34 3.677,35 3.824,36 5.606,37 3.736,38 4.507,39 4.752,40 3.481,41 3.704,42 5.678,43 3.591,44 4.382,45 4.681,46 2.932,47 3.396,48 5.396,49 3.202,50 3.959,51 4.317,52 1.8,53 2.751,54 4.847,55 2.462,56 0.032,57 0.545,58 7.164,59 3.094,60 10.578,61 4.229,62 0.084,63 0.874,64 13.15,65 5.609,66 12.86,67 7.808,68 0.106,69 1.126,70 18.505,71 7.335,72 18.756,73 10.451,74 0.18,75 1.19,76 20.969,77 8.032,78 34.687,79 11.576,80 0.108,81 1.143,82 18.725,83 7.006,84 28.344,85 10.106,86 0.276,87 1.153,88 20.009,89 6.326,90 55.384,91 9.305,92 0.177,93 0.914,94 18.985,95 6.134,96 44.537,97 9.27,98 0.189,99 0.548,100 13.547,101 3.753,102 41.35,103 5.882,104 11,105 31,106 0.252,107 0.668,108 0.832,109 0.872,110 0.872,111 0.872,112 3.06,113 0.93,114 -3.48,115 -3.46,116 -3.3,120 44.4,121 1,122 3,123 1,143 2,144 4,146 2,147 1,148 1,159 1,164 1,165 1,166 1,174 10,177 6,179 1,180 1,182 1,185 12,187 1,189 6,194 1,197 11,199 1,200 1,201 6,203 1,204 1,206 3,209 9,211 3,214 5,219 3,222 7,224 3,226 2,227 6,229 1,230 1,232 2,235 4,237 2,240 4,245 1,247 2,249 1,274 484,275 13.646,276 13.646,277 13.646,278 13.646,279 13.646,280 12.061,281 10.485,282 8.032,283 13.798,284 10.803,285 10.803,286 10.803,287 10.803,288 10.803,289 8.339,290 8.553,291 3.723,292 11.053,293 3.778,294 1.478,295 0.577,296 0.354,297 0.354,298 0.354,299 3.738,305 1,306 1,307 1,308 272,309 2.121,313 137.816,317 75.922,320 0.9,321 16.499,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42,333 128,334 4.653,335 4.088,336 6.984,337 4.277,338 3.288,339 4.396,340 2.035,341 11.897,342 3.252,343 3.892,344 3.342,345 5.961,346 3.587,347 2.596,348 3.421,350 8.312,351 2.573,352 3.866,353 2.71,354 5.703,355 3.419,356 2.45,357 3.19,359 7.53,360 2.373,361 3.346,362 2.506,363 4.967,364 3.05,365 2.061,366 2.58,368 5.805,369 2.037,370 3.197,371 2.133,372 4.806,373 2.814,374 1.853,375 2.205,377 5.088,378 1.778,379 3.094,380 1.947,381 3.955,382 2.299,383 1.327,384 1.869,386 3.062,387 1.288,388 2.694,389 1.456,390 3.689,391 2.126,392 1.161,393 1.5,395 2.803,396 1.118,397 2.5,398 1.282,399 3.275,400 1.956,401 1,402 1.475,404 2.136,405 0.953,406 2.102,407 1,408 3.247,409 1.535,410 0.571,411 0.838,413 1.136,414 0.549,415 1.276,416 0.437,417 2.848,418 1.04,419 0.074,420 0.085,422 0.179,423 0.071,424 1.231,425 0.214,426 2.438,427 0.641,428 -0.309,429 -0.491,431 -0.588,432 -0.293,433 0.621,434 -0.469,435 2.34,436 0.302,437 -0.663,438 -0.749,440 -1.623,441 -0.636,442 0.5,443 -0.642,444 2.206,445 0.226,446 -0.744,447 -0.875,449 -1.854,450 -0.721,451 0.495,452 -0.813,453 1.806,454 -0.025,455 -1,456 -1.382,458 -2.347,459 -0.973,460 0.169,461 -1,462 1.593,463 -0.089,464 -1.068,465 -1.479,467 -3.034,468 -1.047,469 9.6,470 0.48,471 0.469,472 0.023,473 28,474 1.4,475 15.5,476 0.775,477 12.5,478 0.625,479 15.075,480 0.754,481 20.4,482 0.567,483 17.606,484 0.88,485 5.004,486 0.25,487 4.699,488 0.235,489 0.135,491 0.365,496 0.885,497 1.104,498 0.811,499 0.946,500 0.651,501 0.884,502 0.623,503 0.976,504 0.797,505 0.952,506 0.402,507 0.905,508 0.822,509 1.073,510 0.903,511 1.023,512 0.552,513 0.981,514 0.699,515 0.936,516 0.846,517 0.944,518 0.602,519 0.918,520 0.97,521 1.287,522 0.988,523 1.156,524 1.107,525 1.089,526 1.466,527 1.055,528 1.304,529 1.115,530 1.624,531 1.177,532 1.263,533 1.084,534 1.209,535 1.123,536 1.448,537 1.154,538 1.747,539 0.563,540 1.312,541 0.759,542 2.035,543 0.946,544 3.5,546 2.222,547 1.688,548 1.64,549 0.736,550 0.504,551 0.155,552 0.02,554 3170,555 7910,556 2.077,557 44.4,558 8,559 2,561 2,562 2,563 2,567 1.63,568 1.935,569 2.709,570 0.311,572 1,574 1,575 50.117,576 1.392,577 3.692,578 4.593,579 4.816,580 4.816,581 4.816,582 2.088,583 3.684,584 4.295,585 2.8,586 532.088,587 7.397,588 5340.78,589 1,590 1,592 1,593 186.117,594 1.441,595 4.248,596 0.159,598 0.072,599 0.05,600 0.05,601 0.023,602 0.021,603 0.013,604 0.01,606 0.397,607 0.67,608 1,609 0.843,610 85.213,611 -0.082,612 0.014,613 0.03,614 0.058,615 0.023,616 0.057,617 0.104,618 0.054,619 0.089,620 0.065,621 0.092,622 0.074,623 -0.021,624 -0.082,625 0.021,626 -0.021,627 0.045,629 0.157,630 0.025,631 0.113,632 0.05,633 0.195,634 0.072,635 -0.025,636 -0.281,637 -0.05,638 -0.184,639 -0.034,640 -0.132,641 -0.112,642 -0.004,643 -0.316,644 -0.214,645 -0.195,646 -0.275,647 -0.158,648 -0.173,649 -0.176,650 -0.18,651 -0.163,652 -0.18,653 -0.411,654 0.315,655 -0.199,656 0.151,657 -0.427,658 0.027,659 1.334,660 3.438,661 0.8,662 11.44,663 0.992,664 1.125,665 2.252,666 5.07,667 0.683,668 3.135,669 3.466,670 3.784,671 4.111,672 4.407,673 4.443,674 4.522,675 4.533,676 4.489,677 4.19,678 4.205,679 0.646,680 264.36,681 3.135,682 4.673,683 5.541,684 6.441,685 7.336,686 8.245,687 9.15,688 10.062,689 10.97,690 11.883,691 11.1,695 1,700 1,701 2,709 4,710 2,714 6,716 12,718 1,728 1,738 36,739 13,741 22,743 38,744 16,745 10,752 3,753 4,759 1,763 3,764 1,766 3,767 1,768 10,769 5,770 1,785 1,786 1,789 16,790 4,791 2,792 4,797 4,803 0.667,816 2,823 3,827 1,855 2,859 1,862 20,863 1,869 3,874 1,877 1,882 1,884 1,893 10.333,894 6.85,895 4.472,896 2.297,898 2.464,899 1.366,900 0.992,901 3.219,902 9.202,903 3.434,904 4.007,905 4.64,906 5.274,907 5.863,908 6.128,909 6.486,910 6.745,911 6.987,912 6.96,913 1,914 34,915 7.36,917 3.131,918 7.717,919 14.194,921 11.9,924 2.217,925 44.333,926 0.001,929 164.795,930 87.905,931 97.528,936 87.905,937 164.795,938 97.528,939 8.825,940 7.604,941 51.85,942 73.715,943 64.653,944 2.328,945 141.253,947 164.795,948 185.432,952 164.795,956 68.34,957 83.522,958 33.571,960 164.795,961 97.528,962 87.905,965 164.795,966 25.431,967 45.873,968 16.602,969 97.528,970 164.795,971 97.528,972 87.905,973 0.576,974 0.352,975 0.21,976 0.127,977 16,978 7,979 0.026,980 1,981 1,982 1.125,983 3.094,984 159.222,985 0.125,986 16,987 86.439,993 12.783,994 5.036,995 2.209,997 97.528,998 7.373,999 8.603,1003 4.893,1005 32.897,1006 350.228,1007 30,1020 35.709,1021 40.484,1022 0.269,1023 0.714,1024 0.888,1025 0.931,1026 0.931,1027 0.931,1028 4.682,1029 1,1030 5.533,1031 2.803,1032 4.143,1033 4.691,1034 2.228,1035 6.392,1036 4.102,1037 5.901,1038 0.571,1039 7.117,1040 2.136,1041 3.761,1042 4.477,1044 7.405,1045 3.72,1046 7.217,1047 0.074,1048 8.807,1049 1.136,1050 5.765,1051 6.899,1052 3.563,1053 10.569,1054 5.698,1055 8.568,1056 -0.309,1057 10.561,1058 0.179,1059 6.217,1060 7.542,1062 12.447,1063 6.151,1064 9.954,1065 -0.663,1066 12.357,1067 -0.588,1068 7.701,1069 9.428,1070 4.962,1071 15.149,1072 7.615,1073 11.366,1074 -0.744,1075 14.182,1076 -1.623,1077 8.547,1078 10.488,1080 17.385,1081 8.461,1082 12.8,1083 -1,1084 16.03,1085 -1.854,1086 9.831,1087 12.145,1088 6.378,1089 19.935,1090 9.729,1091 3.288,1092 -1.068,1093 17.895,1094 -2.347,1095 10.864,1096 13.416,1098 22.317,1099 10.757,1100 2.596,1101 11.897,1102 19.773,1103 -3.034,1104 12.075,1105 14.971,1106 7.797,1107 24.817,1108 11.955,1109 2.45,1110 8.312,1111 21.662,1112 4.396,1113 13.193,1114 16.348,1116 27.256,1117 13.066,1118 2.061,1119 7.53,1120 23.561,1121 3.421,1122 14.381,1123 17.859,1124 9.217,1125 29.739,1126 14.243,1127 1.853,1128 5.805,1129 25.466,1130 3.19,1131 15.537,1132 19.288,1134 32.2,1135 15.39,1136 1.327,1137 5.088,1138 27.378,1139 2.58,1140 16.721,1141 20.78,1142 10.638,1143 34.679,1144 16.563,1145 1.161,1146 3.062,1147 29.295,1148 2.205,1149 17.894,1150 22.235,1152 37.149,1153 17.726,1154 3161,1155 5091,1156 14.622,1157 24.591,1158 34.142,1159 35.886,1160 34.504,1161 32.752,1162 32.761,1163 43.118,1164 4.069,1165 95.893,1166 31.986,1167 5.599,1168 6.088,1169 6.786,1170 5.316,1171 5.288,1172 7.396,1173 4.069,1174 19.407,1175 5.252,1176 9.057,1177 1.552,1178 1.631,1179 1.568,1180 1.489,1181 1.489,1182 1.96,1183 0.185,1184 4.359,1185 1.454,1186 4.058,1187 4.09,1188 4.019,1189 3.985,1190 6.82,1191 3.989,1192 3.792,1193 3.84,1194 3.714,1195 3.686,1196 5.14,1197 3.685,1198 3.602,1199 3.66,1200 3.51,1201 3.474,1202 4.894,1203 3.478,1204 3.214,1205 3.292,1206 3.107,1207 3.053,1208 4.526,1209 3.047,1210 3.071,1211 3.154,1212 2.946,1213 2.923,1214 4.076,1215 2.921,1216 3.004,1217 3.101,1218 2.846,1219 2.728,1220 3.874,1221 2.747,1222 2.808,1223 2.883,1224 2.644,1225 2.654,1226 3.761,1227 2.649,1228 2.726,1229 2.821,1230 2.589,1231 2.504,1232 3.525,1233 2.516,1234 0.212,1235 0.186,1236 0.317,1237 0.194,1238 0.149,1239 4.653,1240 0.2,1241 4.088,1242 0.092,1243 6.984,1244 0.541,1245 4.277,1246 0.148,1247 3.288,1248 4.396,1249 2.035,1250 11.897,1251 3.252,1252 2.017,1253 1.99,1254 2.122,1255 2.112,1256 1.449,1257 2.115,1258 1.783,1259 1.739,1260 1.935,1261 1.916,1262 1.059,1263 1.926,1264 1.574,1265 1.526,1266 1.713,1267 1.744,1268 0.812,1269 1.741,1270 1.221,1271 1.145,1272 1.537,1273 1.431,1274 0.749,1275 1.472,1276 1.058,1277 0.992,1278 1.352,1279 1.299,1280 0.455,1281 1.319,1282 0.903,1283 0.816,1284 1.157,1285 1.205,1286 0.212,1287 1.187,1288 0.825,1289 0.748,1290 1.057,1291 1.027,1292 0.147,1293 1.058,1294 0.696,1295 0.602,1296 1.042,1297 0.986,1299 1.014,1300 3.807,1302 5.13,1304 6.678,1306 8.335,1308 10.052,1310 2.234,1313 5.974,1315 2.999,1320 0.606,1324 9.438,1325 2.212,1326 23.246,1327 50.117,1328 132.898,1329 165.362,1330 173.362,1331 173.362,1332 173.362,1333 29.71,1334 6.738,1335 75.59,1336 75.59,1337 18,1338 12.397,1339 3.807,1340 3.17,1341 29.513,1342 48,1343 50,1344 0.305,1345 145.826,1346 249.36,1347 347.575,1348 6251,1350 14.113,1351 0.706,1352 0.571,1353 14.113,1354 11.427,1355 9.703,1356 0.441,1357 0.31,1358 6.771,1359 9.486,1360 6.567,1361 5.476,1362 9.703,1363 6.821,1364 8.603,1365 0.278,1366 0.173,1367 8.603,1368 5.374,1369 7.37,1370 0.171,1371 0.091,1372 7.37,1373 3.9,1374 6.494,1375 0.108,1376 0.048,1377 6.494,1378 2.895,1379 5.617,1380 0.069,1381 0.027,1382 5.617,1383 2.21,1384 0.443,1385 59.767,1386 0.262,1387 19.101,1388 0.958,1389 106,1390 266.248,1391 111.218,1392 272.501,1393 377.4,1394 254,1395 127,1396 282.183,1397 132.329,1398 292.343,1399 425.07,1400 275,1401 5.737}
{0 CHEMBL141,1 1.948,2 6.867,3 -0.621,4 0.386,5 55.18,6 8.819,8 3.414,9 3.516,10 3.163,11 2.866,12 4.614,13 2.861,14 3.946,15 4.076,16 3.564,17 3.242,18 5.196,19 3.204,20 4.101,21 4.277,22 3.471,23 3.234,24 5.313,25 3.201,26 4.039,27 4.22,28 3.343,29 3.157,30 5.384,31 3.09,32 3.957,33 4.179,34 3.159,35 2.971,36 5.127,37 2.877,38 3.501,39 3.713,40 2.718,41 2.647,42 4.685,43 2.55,44 3.454,45 3.669,46 2.534,47 2.321,48 4.997,49 2.264,50 3.05,51 3.332,52 1.577,53 1.956,54 4.019,55 1.736,56 0.15,57 0.407,58 4.969,59 2.326,60 18.483,61 2.531,62 0.421,63 0.611,64 14,65 4.406,66 31.92,67 4.577,68 0.518,69 0.632,70 17.151,71 4.318,72 41.371,73 5.149,74 0.522,75 0.557,76 13.576,77 4.441,78 57.293,79 5.264,80 0.531,81 0.474,82 16.246,83 3.729,84 60.193,85 4.491,86 0.232,87 0.328,88 8.548,89 2.667,90 25.855,91 3.348,92 0.394,93 0.254,94 8.361,95 1.73,96 55.637,97 2.398,98 0.176,99 0.164,100 7.954,101 1.763,102 22.786,103 2.279,104 11,105 22,106 0.397,107 0.805,108 0.911,109 0.911,110 0.911,111 0.911,112 2.795,113 1.027,114 -1.24,115 -1.33,116 -1.4,120 30.8,126 2,129 2,136 1,138 1,159 1,160 1,164 1,165 1,166 1,176 4,177 3,179 1,180 1,182 1,187 1,189 1,192 1,194 1,200 2,201 2,203 2,204 2,214 2,217 1,222 1,229 1,230 1,243 2,245 2,249 1,268 1,270 1,274 213,275 10.025,276 10.025,277 10.025,278 10.025,279 10.025,280 9.504,281 12.137,282 5.842,283 10.545,284 7.815,285 7.815,286 7.815,287 7.815,288 7.815,289 6.945,290 13.409,291 2.691,292 8.733,293 2.752,294 0.75,295 0.231,296 0.231,297 0.231,298 0.231,299 3.437,307 1,308 212,309 1.871,312 38.692,313 46.741,320 0.96,321 22.403,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 34.5,333 103,334 4.227,335 4.519,336 6.474,337 3.956,338 3.043,339 3.524,340 3.38,341 10.05,342 2.785,343 3.728,344 3.747,345 5.485,346 3.43,347 2.551,348 2.81,349 1.747,350 7.261,351 2.228,352 3.369,353 2.877,354 5.073,355 3.061,356 2.152,357 2.43,358 1.006,359 6.072,360 1.936,361 3.02,362 2.715,363 4.639,364 2.652,365 1.682,366 2.025,367 0.685,368 4.629,369 1.603,370 2.589,371 2.606,372 3.919,373 2.146,374 1.215,375 1.489,376 0.372,377 3.096,378 1.121,379 1.807,380 1.701,381 3.278,382 1.497,383 0.727,384 0.751,386 1.716,387 0.551,388 1.441,389 1.307,390 2.752,391 1.164,392 0.333,393 0.339,395 0.495,396 0.274,397 1.25,398 0.814,399 2.426,400 0.868,401 -0.088,402 -0.11,404 -0.202,405 -0.082,406 0.861,407 0.37,408 2.359,409 0.465,410 -0.515,411 -0.691,413 -1.242,414 -0.499,416 -0.035,417 1.884,418 -0.17,419 -1.079,420 -1.085,422 -2.717,423 -0.938,424 -0.085,425 -0.664,426 1.374,427 -0.322,428 -1.24,429 -1.272,430 -0.288,431 -3.213,432 -1.13,433 -0.233,434 -0.736,435 1.325,436 -0.505,437 -1.435,438 -1.561,439 -0.343,440 -4.042,441 -1.212,442 -0.433,443 -0.976,444 1,445 -0.665,446 -1.546,447 -1.844,448 -0.838,449 -4.216,450 -1.475,451 -0.756,452 -1.281,453 0.859,454 -0.988,455 -1.843,456 -2,457 -1.012,458 -5.058,459 -1.581,460 -0.843,461 -1.441,462 0.711,463 -1.068,464 -1.958,465 -2.154,466 -1.329,467 -5.827,468 -1.706,469 7.033,470 0.469,471 0.383,472 0.026,473 15,474 1,475 4.5,476 0.3,477 10.5,478 0.7,479 11.682,480 0.779,481 17.567,482 0.676,483 9.363,484 0.624,485 2.876,486 0.192,487 4.327,488 0.288,489 0.152,491 0.341,496 0.976,497 1.444,498 0.734,499 0.972,500 0.87,501 0.906,502 0.905,503 1.098,504 1.195,505 1.257,506 0.693,507 1.026,508 1.071,509 1.214,510 1.11,511 1.184,512 0.787,513 1.039,514 0.892,515 0.956,516 0.903,517 0.984,518 0.951,519 1.103,520 1.296,521 0.773,522 1.043,523 0.835,524 1.578,525 0.861,526 0.74,527 1.063,528 0.921,529 1.065,530 0.863,531 1.113,532 1.228,533 0.852,534 0.911,535 0.749,536 1.305,537 1.007,538 0.881,539 0.968,540 1.367,541 1.233,542 1.053,543 1.154,544 3.5,546 1.778,547 1.16,548 0.743,549 0.476,550 0.167,551 0.115,552 0.045,554 1507,555 5862,556 1.993,557 42.3,559 5,560 3,562 3,567 1.531,568 1.837,569 2.791,570 1.508,575 50.648,576 1.948,577 3.95,578 4.47,579 4.47,580 4.47,581 4.47,582 2.2,583 3.774,584 3.877,585 2.837,586 297.904,587 6.499,588 2398.2,593 122.211,594 1.506,595 3.82,596 0.219,598 0.081,599 0.058,600 0.044,601 0.04,602 0.019,603 0.019,604 0.023,606 0.501,607 0.67,608 1,609 0.985,610 58.131,611 -0.21,612 -0.202,613 0.028,614 0.041,615 -0.17,616 0.038,617 0.045,618 0.077,619 -0.103,620 -0.081,621 0.014,622 -0.063,623 -0.107,624 -0.197,625 -0.121,626 -0.176,627 -0.023,628 -0.088,629 0.097,630 -0.006,631 -0.041,632 -0.077,633 0.072,634 -0.153,635 -0.219,636 0.095,637 0.013,638 0.13,639 -0.291,640 0.102,641 0.04,642 -0.115,643 -0.019,644 -0.123,645 -0.003,646 -0.108,647 0.002,648 -0.059,649 -0.047,650 -0.003,651 0.108,652 -0.137,653 -0.075,654 -0.186,655 -0.183,656 -0.197,657 -0.112,658 -0.088,659 2.098,660 4.442,661 0.733,662 7.973,663 1.035,664 1.142,665 0.015,667 0.657,668 2.833,669 3.135,670 3.367,671 3.584,672 3.664,673 3.689,674 3.526,675 3.401,676 3.296,677 2.773,678 4.004,679 0.635,680 229.29,681 2.833,682 4.344,683 5.176,684 6.043,685 6.895,686 7.767,687 8.625,688 9.499,689 10.359,690 11.234,691 11.5,692 1,698 1,700 1,738 26,739 3,741 16,743 27,744 8,748 4,752 2,753 2,759 1,768 4,769 4,772 3,778 1,780 2,781 1,782 2,786 1,789 11,790 6,791 3,792 7,793 1,797 3,799 1,803 1,804 3,805 1,822 1,823 1,845 1,848 1,853 1,854 1,855 2,856 1,857 1,862 15,863 1,868 1,869 2,872 1,873 1,874 2,875 1,886 11.5,887 1,889 1,890 1,893 8.167,894 4.267,895 3.389,896 1.286,898 0.825,899 1.144,900 0.894,901 3.184,902 6.542,903 2.996,904 3.401,905 3.784,906 4.143,907 4.369,908 4.489,909 4.369,910 4.431,911 4.443,912 4.205,913 0.8,914 20,915 5.532,916 -0.001,917 2.366,918 8.189,919 10.172,921 8.198,924 2.689,925 40.333,926 0.002,929 94.169,930 58.247,931 52.807,933 78.828,935 32.22,936 26.027,937 172.997,938 52.807,940 45.969,941 52.16,942 38.473,943 16.786,944 39.589,945 91.075,947 94.169,948 78.834,949 78.828,950 32.22,952 94.169,953 25.145,954 53.683,956 53.707,957 15.651,958 9.476,959 32.22,960 94.169,961 131.635,962 58.247,965 94.169,966 39.723,967 21.648,969 128.511,970 94.169,971 131.635,972 58.247,973 0.578,974 0.34,975 0.179,976 0.09,977 11,978 5,979 0.074,980 2,982 1,983 2.706,984 95.885,986 11,987 58.603,989 1,993 10.792,994 4.426,995 2.273,997 131.635,1005 75.581,1006 284.051,1007 19,1013 11.442,1015 3.095,1016 3.602,1017 -0.236,1020 26.898,1021 29.704,1022 0.414,1023 0.84,1024 0.951,1025 0.951,1026 0.951,1027 0.951,1028 4.248,1029 -0.088,1030 5.165,1031 0.495,1032 3.807,1033 4.078,1034 3.472,1035 5.953,1036 3.602,1037 5.398,1038 -0.515,1039 6.715,1040 -0.202,1041 3.434,1042 3.761,1043 1.305,1044 6.823,1045 3.167,1046 6.672,1047 -1.079,1048 8.362,1049 -1.242,1050 5.38,1051 5.948,1052 5.625,1053 9.883,1054 4.974,1055 7.972,1056 -1.24,1057 10.065,1058 -2.717,1059 5.802,1060 6.399,1061 2.553,1062 11.571,1063 5.315,1064 9.302,1065 -1.435,1066 11.802,1067 -3.213,1068 7.232,1069 8.09,1070 8.012,1071 14.155,1072 6.635,1073 10.65,1074 -1.546,1075 13.566,1076 -4.042,1077 8.015,1078 8.912,1079 3.765,1080 16.19,1081 7.336,1082 12.013,1083 -1.843,1084 15.349,1085 -4.216,1086 9.243,1087 10.389,1088 10.438,1089 18.607,1090 8.469,1091 3.043,1092 -1.958,1093 17.146,1094 -5.058,1095 10.195,1096 11.407,1097 4.946,1098 20.794,1099 9.339,1100 2.551,1101 10.05,1102 18.957,1103 -5.827,1104 11.344,1105 12.78,1106 12.871,1107 23.145,1108 10.399,1109 2.152,1110 7.261,1111 20.777,1112 3.524,1113 12.376,1114 13.904,1115 6.125,1116 25.399,1117 11.349,1118 1.682,1119 6.072,1120 22.605,1121 2.81,1122 13.495,1123 15.224,1124 15.306,1125 27.725,1126 12.382,1127 1.215,1128 4.629,1129 24.44,1130 2.43,1131 14.565,1132 16.407,1133 7.377,1134 30.008,1135 13.37,1136 0.727,1137 3.096,1138 26.281,1139 2.025,1140 15.673,1141 17.699,1142 17.741,1143 32.323,1144 14.394,1145 0.333,1146 1.716,1147 28.127,1148 1.489,1149 16.762,1150 18.915,1151 8.885,1152 34.619,1153 15.399,1154 1585,1155 3183,1156 10.345,1157 17.074,1158 23.861,1159 26.887,1160 24.738,1161 23.214,1162 23.407,1163 26.736,1164 14.379,1165 66.637,1166 20.997,1167 5.169,1168 6.263,1169 6.03,1170 5.079,1171 5.043,1172 6.174,1173 6.759,1174 16.852,1175 4.66,1176 7.607,1177 1.491,1178 1.68,1179 1.546,1180 1.451,1181 1.463,1182 1.671,1183 0.899,1184 4.165,1185 1.312,1186 3.884,1187 3.924,1188 4.006,1189 3.714,1190 7.432,1191 3.715,1192 3.637,1193 3.664,1194 3.735,1195 3.513,1196 6.456,1197 3.481,1198 3.24,1199 3.309,1200 3.089,1201 3,1202 5.128,1203 3.005,1204 2.991,1205 3.058,1206 2.965,1207 2.724,1208 4.611,1209 2.77,1210 2.943,1211 2.998,1212 2.876,1213 2.639,1214 4.281,1215 2.651,1216 2.461,1217 2.53,1218 2.529,1219 2.177,1220 3.752,1221 2.1,1222 2.39,1223 2.486,1224 2.226,1225 2.026,1226 3.377,1227 2.058,1228 2.071,1229 2.168,1230 1.91,1231 1.684,1232 3.235,1233 1.692,1234 0.264,1235 0.282,1236 0.405,1237 0.247,1238 0.19,1239 4.227,1240 0.22,1241 4.519,1242 0.211,1243 6.474,1244 0.628,1245 3.956,1246 0.174,1247 3.043,1248 3.524,1249 3.38,1250 10.05,1251 2.785,1252 1.734,1253 1.688,1254 1.838,1255 1.962,1256 1.052,1257 1.926,1258 1.439,1259 1.414,1260 1.631,1261 1.678,1262 0.93,1263 1.676,1264 1.34,1265 1.29,1266 1.544,1267 1.548,1268 0.699,1269 1.57,1270 0.871,1271 0.822,1272 1.19,1273 1.226,1274 0.129,1275 1.234,1276 0.819,1277 0.742,1278 0.968,1279 1.134,1281 1.088,1282 0.568,1283 0.522,1284 0.843,1285 0.973,1287 0.961,1288 0.155,1289 0.01,1290 0.631,1291 0.578,1293 0.599,1296 0.474,1297 0.411,1299 0.435,1300 3.497,1302 4.796,1303 2.398,1304 6.286,1305 4.595,1306 7.864,1307 6.581,1308 9.487,1313 5.369,1314 8.875,1315 0.565,1318 5.412,1319 1.467,1320 -0.632,1321 1.374,1326 16.503,1327 50.648,1328 102.702,1329 116.211,1330 116.211,1331 116.211,1332 116.211,1333 24.987,1334 5.717,1335 90.37,1336 115.67,1337 11,1338 11.776,1339 2,1340 2,1341 23.582,1342 35,1343 37,1344 0.349,1345 107.443,1346 192.2,1347 253.92,1348 1633,1350 10.836,1351 0.722,1352 0.579,1353 11.19,1354 8.684,1355 7.203,1356 0.45,1357 0.342,1358 4.406,1359 6.303,1360 4.269,1361 3.463,1362 7.657,1363 5.479,1364 6.407,1365 0.291,1366 0.194,1367 6.984,1368 4.271,1369 5.262,1370 0.188,1371 0.113,1372 5.963,1373 3.154,1374 4.262,1375 0.122,1376 0.065,1377 4.921,1378 2.261,1379 2.884,1380 0.076,1381 0.035,1382 3.375,1383 1.313,1384 0.519,1385 51.093,1386 0.311,1387 15.034,1388 1.03,1389 76,1390 291.084,1391 113.414,1392 286.776,1393 374.61,1394 268,1395 88,1396 244.503,1397 121.174,1398 250.847,1399 374.59,1400 235,1401 6.542}
{0 CHEMBL1410536,1 1.334,2 9.389,3 4.263,4 18.169,5 78.906,6 7.949,7 0.632,8 3.516,9 3.61,10 3.213,11 3.261,12 4.652,13 3.169,14 3.954,15 4.088,16 3.495,17 3.585,18 5.049,19 3.461,20 4.157,21 4.328,22 3.48,23 3.642,24 5.251,25 3.481,26 4.127,27 4.337,28 3.291,29 3.45,30 5.206,31 3.27,32 3.905,33 4.138,34 3.122,35 3.252,36 4.921,37 3.073,38 3.7,39 3.884,40 3.015,41 3.162,42 4.761,43 2.972,44 3.582,45 3.749,46 2.898,47 3.036,48 4.746,49 2.912,50 3.568,51 3.747,52 2.718,53 3.001,54 4.65,55 2.885,56 0.017,57 0.338,58 6.149,59 3.029,60 3.935,61 3.913,62 0.04,63 0.557,64 11.513,65 5.198,66 7.399,67 6.467,68 0.079,69 0.719,70 16.808,71 6.952,72 17.949,73 8.213,74 0.139,75 0.715,76 17.569,77 6.831,78 26.905,79 7.925,80 0.085,81 0.57,82 12.875,83 5.337,84 19.499,85 6.556,86 0.072,87 0.488,88 14.24,89 5.203,90 13.778,91 5.475,92 0.068,93 0.396,94 9.58,95 3.791,96 15.075,97 4.291,98 0.059,99 0.377,100 7.88,101 3.38,102 12.626,103 4.238,104 5,105 24,106 0.249,107 0.517,108 0.676,109 0.796,110 0.812,111 0.812,112 2.958,113 1.046,114 -5.51,115 -5.38,116 -5.03,120 50,121 1,136 1,138 1,143 9,144 2,145 1,158 1,174 11,177 2,185 16,189 2,197 11,201 3,209 6,214 1,222 6,227 2,235 5,240 2,247 8,252 1,260 9,264 1,271 9,274 356,275 12.19,276 12.19,277 12.19,278 12.19,279 12.19,280 10.388,281 6.627,282 7.53,283 12.373,284 9.377,285 9.377,286 9.377,287 9.377,288 9.377,289 6.768,290 3.958,291 3.602,292 9.648,293 3.666,294 2.229,295 1.376,296 0.735,297 0.649,298 0.649,299 3.618,306 1,307 1,308 353,309 2.739,313 130.569,320 1.389,321 10.166,323 1,324 0.75,325 1,326 1,327 0.5,328 0.5,329 1,330 1,331 0.82,332 37,333 169,334 4.164,335 4.407,336 6.018,337 3.806,338 2.786,339 3.701,340 2.95,341 8.538,342 2.841,343 4.012,344 3.486,345 5.412,346 3.571,347 2.614,348 3.614,350 7.153,351 2.511,352 3.464,353 2.789,354 4.889,355 3.051,356 2.115,357 2.765,359 5.696,360 1.952,361 3.328,362 2.46,363 4.312,364 2.848,365 1.833,366 2.619,368 4.27,369 1.852,370 2.827,371 2.175,372 3.546,373 2.264,374 1.299,375 1.878,377 2.841,378 1.245,379 2.5,380 1.323,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.5,389 1,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 2.407,398 1,399 3.208,400 1.815,401 0.859,402 1.198,404 1.938,405 0.791,406 1.456,407 0.908,408 2.525,409 1.014,410 0.059,411 0.079,413 0.13,414 0.056,415 0.828,416 0.505,417 2,418 0.466,419 -0.485,420 -0.602,422 -1.066,423 -0.453,424 0.744,425 -0.293,426 1.916,427 0.279,428 -0.755,429 -1.109,431 -1.613,432 -0.774,433 0.5,434 -0.511,435 1.585,437 -1,438 -1.409,440 -2.347,441 -1,442 0.5,443 -1,444 1.555,446 -1,447 -1.5,449 -2.857,450 -1,451 0.13,452 -1,453 1.279,454 -0.209,455 -1.179,456 -1.5,458 -3,459 -1.071,460 -0.095,461 -1.149,462 1,463 -0.458,464 -1.469,465 -2.069,467 -3.476,468 -1.488,469 9.167,470 0.509,471 0.332,472 0.018,473 25.25,474 1.403,475 15.5,476 0.861,477 9.75,478 0.542,479 10.568,480 0.587,481 17.833,482 0.557,483 15.183,484 0.844,485 5.161,486 0.287,487 3.593,488 0.2,489 0.091,491 0.218,496 0.503,497 0.848,498 0.745,499 0.806,500 0.566,501 0.841,502 0.636,503 0.998,504 0.961,505 0.995,506 0.611,507 0.975,508 1.01,509 1.149,510 1.242,511 1.205,512 0.932,513 1.116,514 1.401,515 1.094,516 1.137,517 1.134,518 1.475,519 1.07,520 1.193,521 0.821,522 0.804,523 0.779,524 1.236,525 0.826,526 1.272,527 1.139,528 1.824,529 1.477,530 1.093,531 1.053,532 1.706,533 0.993,534 1.226,535 1.077,536 1.635,537 0.959,538 1.361,539 0.989,540 0.941,541 0.94,542 1.415,543 1.026,544 3,545 0.049,546 1.778,547 0.688,548 0.453,549 0.299,550 0.243,551 0.134,552 0.07,553 0.063,554 3115,555 8051,556 2.026,557 43.8,558 3,559 10,560 1,567 1.578,568 1.929,569 3.237,570 -0.873,572 1,575 42.697,576 1.334,577 2.771,578 3.624,579 4.265,580 4.351,581 4.351,582 2.684,583 3.503,584 4.145,585 3.343,586 511.505,587 6.989,588 5080.7,590 1,592 1,593 160,594 1.224,595 4.116,596 0.158,597 0.008,598 0.074,599 0.031,600 0.028,601 0.021,602 0.019,603 0.01,604 0.006,605 0.006,606 0.362,607 0.67,608 0.88,609 0.584,610 78.746,611 0.007,612 0.044,613 0.06,614 0.063,615 -0.062,616 0.037,617 0.014,618 -0.066,619 -0.01,620 -0.042,621 0.016,622 -0.054,623 -0.039,624 -0.175,625 -0.138,626 -0.166,627 0.018,628 -0.159,629 -0.011,630 -0.096,631 -0.034,632 -0.098,633 -0.08,634 -0.093,636 0.173,637 0.205,638 0.215,639 -0.034,640 0.168,641 -0.074,642 -0.067,643 -0.234,644 -0.16,645 0.024,646 -0.027,647 -0.146,648 -0.011,649 -0.141,650 -0.058,651 -0.059,652 -0.02,653 -0.176,654 -0.065,655 -0.187,656 -0.102,657 -0.184,658 -0.112,659 1.629,660 4.789,661 0.667,662 12.222,663 0.987,664 1.095,665 4.279,666 18.306,667 0.732,668 2.996,669 3.219,670 3.367,671 3.466,672 3.611,673 3.367,674 3.296,675 3.219,676 3.296,677 3.296,678 5.548,679 0.675,680 254.37,681 2.996,682 4.466,683 5.252,684 6.061,685 6.862,686 7.672,687 8.476,688 9.286,689 10.092,690 10.901,709 9,714 3,716 12,721 1,738 32,739 14,740 2,741 19,743 33,744 16,745 12,746 3,747 9,748 3,752 2,753 2,759 1,768 15,769 1,772 2,778 1,780 2,782 1,786 1,789 14,790 1,792 2,793 1,803 1,804 1,823 2,845 1,855 2,856 1,857 1,859 1,862 18,873 1,886 3.1,889 1,893 9.333,894 6,895 4.111,896 1.813,898 2.614,899 1.443,900 0.97,901 4.378,902 8.508,903 3.332,904 3.85,905 4.344,906 4.787,907 5.259,908 5.093,909 5.282,910 5.411,911 5.719,912 6.006,913 1,914 22,915 6.623,917 2.662,918 7.694,919 12.7,921 9.869,924 2.194,925 39.5,926 0.002,929 164.795,930 156.704,933 25.145,935 32.22,936 124.484,937 189.94,939 8.825,940 7.841,941 94.762,942 30.278,943 7.922,944 11.771,945 185.244,947 164.795,948 124.484,949 25.145,950 32.22,952 164.795,953 25.145,956 8.825,957 106.183,958 9.476,959 32.22,960 164.795,961 25.145,962 156.704,965 164.795,966 45.275,967 111.429,969 25.145,970 164.795,971 25.145,972 156.704,973 0.561,974 0.312,975 0.152,976 0.083,977 10,978 4,979 0.121,980 4,982 1,983 3.196,984 113.885,986 12,987 67.059,989 1,993 12.659,994 6.225,995 3.882,997 25.145,998 17.523,1003 3.097,1006 346.644,1007 27,1013 11.789,1015 3.444,1017 0.037,1020 31.589,1021 35.036,1022 0.267,1023 0.554,1024 0.725,1025 0.853,1026 0.87,1027 0.87,1028 4.489,1029 0.859,1030 5.176,1031 2.136,1032 3.892,1033 4.533,1034 2.913,1035 5.838,1036 3.85,1037 5.661,1038 0.059,1039 6.645,1040 1.938,1041 3.219,1042 3.98,1044 6.447,1045 3.195,1046 6.916,1047 -0.485,1048 8.212,1049 0.13,1050 5.342,1051 6.614,1052 5.027,1053 9.453,1054 5.278,1055 8.206,1056 -0.755,1057 9.838,1058 -1.066,1059 5.485,1060 6.856,1062 10.914,1063 5.455,1064 9.523,1065 -1,1066 11.502,1067 -1.613,1068 7.045,1069 8.928,1070 7.185,1071 13.386,1072 6.984,1073 10.86,1074 -1,1075 13.194,1076 -2.347,1077 7.588,1078 9.574,1080 15.205,1081 7.569,1082 12.213,1083 -1.179,1084 14.904,1085 -2.857,1086 8.879,1087 11.357,1088 9.348,1089 17.476,1090 8.84,1091 2.786,1092 -1.469,1093 16.629,1094 -3,1095 9.635,1096 12.237,1098 19.46,1099 9.638,1100 2.614,1101 8.538,1102 18.366,1103 -3.476,1104 10.788,1105 13.849,1106 11.511,1107 21.649,1108 10.784,1109 2.115,1110 7.153,1111 20.11,1112 3.701,1113 11.66,1114 14.876,1116 23.712,1117 11.693,1118 1.833,1119 5.696,1120 21.862,1121 3.614,1122 12.742,1123 16.381,1124 13.675,1125 25.868,1126 12.779,1127 1.299,1128 4.27,1129 23.62,1130 2.765,1131 13.677,1132 17.5,1134 27.969,1135 13.747,1136 1,1137 2.841,1138 25.382,1139 2.619,1140 14.723,1141 18.936,1142 15.838,1143 30.113,1144 14.804,1145 1,1146 2.275,1147 27.148,1148 1.878,1149 15.692,1150 20.117,1152 32.233,1153 15.804,1154 3107,1155 5091,1156 12.712,1157 23.432,1158 27.737,1159 30.656,1160 27.67,1161 27.118,1162 27.131,1163 37.708,1164 5.9,1165 69.953,1166 26.496,1167 4.9,1168 6.407,1169 5.82,1170 4.894,1171 4.786,1172 6.701,1173 5.9,1174 14.421,1175 4.841,1176 7.245,1177 1.46,1178 1.613,1179 1.456,1180 1.427,1181 1.428,1182 1.985,1183 0.311,1184 3.682,1185 1.395,1186 3.946,1187 3.968,1188 4.036,1189 3.911,1190 7.428,1191 3.888,1192 3.888,1193 3.914,1194 3.845,1195 3.841,1196 4.749,1197 3.83,1198 3.506,1199 3.528,1200 3.582,1201 3.452,1202 4.715,1203 3.414,1204 3.171,1205 3.237,1206 3.207,1207 3.072,1208 4.209,1209 3.034,1210 2.905,1211 2.944,1212 2.808,1213 2.791,1214 3.829,1215 2.766,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.51,1229 2.569,1230 2.471,1231 2.386,1232 3.548,1233 2.321,1234 0.219,1235 0.232,1236 0.317,1237 0.2,1238 0.147,1239 4.164,1240 0.195,1241 4.407,1242 0.155,1243 6.018,1244 0.449,1245 3.806,1246 0.15,1247 2.786,1248 3.701,1249 2.95,1250 8.538,1251 2.841,1252 1.922,1253 1.902,1254 2.027,1255 1.996,1256 1.136,1257 2.011,1258 1.896,1259 1.872,1260 2.014,1261 1.967,1262 1.083,1263 1.989,1264 1.486,1265 1.465,1266 1.606,1267 1.601,1268 0.697,1269 1.622,1270 1.188,1271 1.126,1272 1.502,1273 1.382,1274 0.561,1275 1.431,1276 0.89,1277 0.85,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.096,1291 1.049,1292 0.188,1293 1.076,1294 0.511,1295 0.447,1296 0.794,1297 0.703,1299 0.754,1300 3.664,1302 4.905,1304 6.34,1306 7.854,1308 9.403,1310 2.059,1319 1.551,1326 21.59,1327 42.697,1328 88.662,1329 115.961,1330 136.49,1331 139.245,1332 139.245,1333 24.991,1334 5.894,1335 17.07,1336 42.37,1337 12,1338 11.491,1339 3.907,1340 3.17,1341 31.323,1342 61,1343 52,1344 0.253,1345 141.169,1346 245.02,1347 336.213,1348 2431,1350 12.795,1351 0.711,1352 0.61,1353 13.148,1354 10.984,1355 8.754,1356 0.461,1357 0.349,1358 5.811,1359 8.182,1360 5.514,1361 4.655,1362 9.208,1363 6.628,1364 7.432,1365 0.31,1366 0.206,1367 8.042,1368 4.943,1369 5.862,1370 0.209,1371 0.119,1372 6.474,1373 3.319,1374 4.285,1375 0.138,1376 0.069,1377 4.912,1378 2.132,1379 3.376,1380 0.094,1381 0.043,1382 4.022,1383 1.566,1384 0.407,1385 57.643,1386 0.28,1387 18.689,1388 0.661,1389 86,1390 230.596,1391 110.386,1392 252.649,1393 339.95,1394 236,1395 95,1396 225.036,1397 113.696,1398 248.351,1399 352.21,1400 233,1401 5.055}
{0 CHEMBL1410641,1 1.519,2 9.765,3 4.419,4 19.523,5 124.547,6 8.096,7 0.486,8 4.151,9 4.232,10 3.781,11 3.703,12 5.388,13 3.704,14 4.678,15 4.802,16 4.151,17 4.112,18 5.909,19 4.107,20 4.909,21 5.026,22 4.37,23 4.33,24 6.139,25 4.321,26 5.111,27 5.236,28 4.488,29 4.467,30 6.438,31 4.448,32 5.3,33 5.461,34 4.572,35 4.545,36 6.607,37 4.525,38 5.318,39 5.472,40 4.62,41 4.516,42 6.845,43 4.509,44 5.246,45 5.418,46 4.448,47 4.4,48 6.546,49 4.378,50 5.164,51 5.338,52 4.292,53 4.225,54 6.529,55 4.196,56 0.182,57 0.727,58 9.707,59 5.535,60 9.386,61 6.22,62 0.523,63 1.171,64 20.162,65 9.194,66 71.311,67 10.267,68 0.546,69 1.482,70 24.418,71 11.726,72 70.248,73 13.148,74 0.666,75 1.809,76 30.407,77 14.159,78 105.672,79 16.025,80 0.996,81 2.147,82 41.224,83 16.504,84 124.003,85 19.211,86 1.401,87 2.133,88 42.546,89 16.458,90 233.352,91 19.195,92 1.157,93 1.972,94 40.963,95 15.444,96 133.198,97 18.244,98 1.456,99 1.75,100 39.286,101 13.988,102 157.342,103 16.527,104 67,105 54,106 0.245,107 0.536,108 0.654,109 0.753,110 0.782,111 0.811,112 3.562,113 0.855,114 -4.55,115 -4.47,116 -4.21,120 45.6,123 1,124 1,125 3,126 1,143 11,144 4,145 3,158 2,167 2,174 16,176 1,177 9,185 20,188 1,189 18,197 20,200 1,201 21,209 19,213 2,214 23,222 23,226 6,227 24,235 22,239 4,240 16,247 12,251 7,252 16,260 4,263 2,264 7,274 2238,275 23.02,276 23.02,277 23.02,278 23.02,279 23.02,280 20.388,281 25.21,282 13.163,283 23.548,284 17.975,285 17.975,286 17.975,287 17.975,288 17.975,289 13.807,290 26.563,291 5.857,292 18.491,293 4.314,294 2.516,295 1.783,296 1.172,297 0.992,298 0.812,299 4.25,306 1,307 1,308 700,309 4.183,312 73.711,313 333.777,316 147.238,320 1.249,321 58.619,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 75.5,333 332,334 5.02,335 4.502,336 8.52,337 4.888,338 3.877,339 4.417,340 2.612,341 17.43,342 3.918,343 4.26,344 3.683,345 6.546,346 3.882,347 2.894,348 3.9,349 1.975,350 10.071,351 2.877,352 4.162,353 3.287,354 6.197,355 3.797,356 2.833,357 3.713,358 0.982,359 9.123,360 2.718,361 3.936,362 3.214,363 6.025,364 3.545,365 2.573,366 3.412,367 0.86,368 8.301,369 2.493,370 3.814,371 3.095,372 5.75,373 3.28,374 2.322,375 3.301,376 0.86,377 6.756,378 2.214,379 3.508,380 2.842,381 5.331,382 3.079,383 2.059,384 2.803,385 0.86,386 6.639,387 2.125,388 3.441,389 2.598,390 5.216,391 3.023,392 2.026,393 2.65,395 5.44,396 1.977,397 3.205,398 2.274,399 4.746,400 2.764,401 1.769,402 2.464,404 5.181,405 1.754,406 2.919,407 2.177,408 4.379,409 2.521,410 1.607,411 2.057,413 4.101,414 1.461,415 2.836,416 1.685,417 4.348,418 2.407,419 1.411,420 1.963,422 3.273,423 1.403,424 2.5,425 1.35,426 3.876,427 2.009,428 1.01,429 1.5,431 2.642,432 1.003,433 2.48,434 1.271,435 3.655,436 2,437 1,438 1.387,440 2.275,441 1,442 2.401,443 1.261,444 3.414,445 1.948,446 0.914,447 1.289,449 2.239,450 0.94,451 1.936,452 1.022,453 3.376,454 1.598,455 0.688,456 0.82,458 1.275,459 0.617,460 1.706,461 1,462 3.015,463 1.366,464 0.476,465 0.542,467 0.75,468 0.416,469 15.733,470 0.463,471 0.882,472 0.026,473 46.75,474 1.375,475 25.5,476 0.75,477 21.25,478 0.625,479 29.107,480 0.856,481 36.467,482 0.64,483 45.54,484 1.339,485 9.692,486 0.285,487 6.684,488 0.197,489 0.18,490 0.032,491 0.343,496 0.57,497 1.059,498 0.673,499 1.047,500 0.518,501 0.925,502 0.936,503 0.774,504 0.789,505 0.769,506 0.584,507 0.743,508 0.88,509 1.009,510 0.839,511 0.999,512 0.933,513 0.927,514 0.927,515 1.206,516 0.969,517 1.165,518 1.019,519 1.098,520 1.065,521 1.064,522 0.969,523 1.011,524 1.252,525 0.974,526 0.969,527 1.069,528 0.917,529 1.03,530 1.139,531 0.971,532 1.067,533 1.047,534 0.987,535 1.037,536 1.121,537 1,538 1.071,539 1.053,540 1.07,541 1.068,542 1.072,543 1.07,544 7.5,545 0.127,546 5.111,547 4.396,548 3.233,549 2.365,550 1.488,551 1.068,552 0.676,553 0.246,554 12492,555 40681,556 2.018,557 40.4,559 22,564 1,567 1.775,568 1.846,569 3.125,570 -0.758,572 1,575 86.57,576 1.519,577 3.317,578 4.05,579 4.661,580 4.841,581 5.021,582 2.602,583 4.558,584 5.053,585 3.317,586 1860.74,587 8.953,588 26304.2,593 332.475,594 1.667,595 4.989,596 0.203,597 0.008,598 0.095,599 0.067,600 0.045,601 0.031,602 0.019,603 0.016,604 0.013,605 0.007,606 0.503,607 0.17,608 0.88,609 1.132,610 174.367,611 0.092,612 0.034,613 0.058,614 -0.009,615 -0.01,616 0.004,617 -0.068,618 0.259,619 0.065,620 0.25,621 0.052,622 0.208,623 -0.046,624 0.021,625 -0.002,626 0.024,627 -0.082,628 0.024,629 -0.066,630 -0.182,631 -0.11,632 -0.155,633 -0.025,634 -0.148,635 -0.104,636 -0.051,637 -0.026,638 -0.029,639 -0.102,640 -0.013,641 0.104,642 -0.069,643 0.051,644 -0.057,645 0.182,646 -0.024,647 -0.015,648 -0.06,649 0.006,650 -0.067,651 -0.058,652 -0.034,653 0.125,654 -0.094,655 -0.031,656 -0.108,657 0.038,658 -0.112,659 3.106,660 7.063,661 0.618,662 30.99,663 1.02,664 1.115,665 3.319,666 11.018,667 0.677,668 3.638,669 4.007,670 4.394,671 4.745,672 5.043,673 5.215,674 5.403,675 5.545,676 5.545,677 5.438,678 5.814,679 0.664,680 461.5,681 3.638,682 5.209,683 6.111,684 7.043,685 7.98,686 8.929,687 9.882,688 10.842,689 11.804,690 12.77,691 1.8,703 1,709 11,714 7,716 18,721 2,735 3,738 57,739 22,740 3,741 37,743 60,744 26,745 18,746 7,747 11,748 2,752 4,753 5,760 1,762 1,768 20,769 6,770 1,772 4,775 1,778 4,782 2,786 1,789 23,790 7,792 8,797 1,803 0.75,804 7,822 1,823 3,826 1,850 1,855 3,859 3,862 34,869 1,872 3,874 1,876 1,886 12.3,889 2,891 3,892 2,893 18.417,894 11.367,895 7.722,896 3.146,898 2.42,899 1.315,900 0.941,901 6.514,902 10.109,903 3.932,904 4.538,905 5.125,906 5.712,907 6.275,908 6.562,909 6.976,910 7.361,911 7.665,912 7.853,913 0.857,914 66,915 12.786,917 5.789,918 8.076,919 23.27,921 19.182,924 2.576,925 87.583,928 1,929 270.735,930 177.733,931 5.67,933 134.036,936 177.733,937 404.772,938 5.67,939 38.319,940 2.106,941 104.239,942 60.557,943 61.472,945 270.735,946 50.747,947 270.735,948 183.403,949 134.036,952 258.964,953 95.061,954 50.747,956 2.106,957 181.297,960 270.735,961 139.706,962 177.733,965 270.735,966 40.845,967 142.558,969 134.036,970 270.735,971 139.706,972 177.733,973 0.58,974 0.368,975 0.215,976 0.126,977 26,978 13,979 0.133,980 8,981 1,982 1.095,983 3.972,984 354.615,985 0.095,986 21,987 156.974,993 23.62,994 9.376,995 3.807,997 134.036,998 17.856,1003 2.53,1006 588.175,1007 50,1010 -0.499,1013 51.845,1017 -0.967,1020 58.113,1021 63.531,1022 0.26,1023 0.569,1024 0.694,1025 0.799,1026 0.83,1027 0.861,1028 5.196,1029 1.769,1030 6.146,1031 5.44,1032 4.691,1033 5.226,1034 3.256,1035 7.119,1036 4.658,1037 6.433,1038 1.607,1039 7.813,1040 5.181,1041 4.511,1042 5.156,1043 2.525,1044 8.625,1045 4.491,1046 7.783,1047 1.411,1048 9.607,1049 4.101,1050 6.45,1051 7.436,1052 4.539,1053 11.867,1054 6.416,1055 9.176,1056 1.01,1057 11.488,1058 3.273,1059 7.163,1060 8.152,1061 4.656,1062 14.339,1063 7.154,1064 10.609,1065 1,1066 13.433,1067 2.642,1068 8.638,1069 9.939,1070 6.156,1071 17.265,1072 8.631,1073 12.07,1074 0.914,1075 15.426,1076 2.275,1077 9.736,1078 11.012,1079 6.66,1080 20.027,1081 9.757,1082 13.556,1083 0.688,1084 17.456,1085 2.239,1086 11.089,1087 12.608,1088 7.911,1089 22.897,1090 11.122,1091 3.877,1092 0.476,1093 19.515,1094 1.275,1095 12.341,1096 13.86,1097 8.614,1098 25.731,1099 12.398,1100 2.894,1101 17.43,1102 21.596,1103 0.75,1104 13.675,1105 15.376,1106 9.736,1107 28.59,1108 13.747,1109 2.833,1110 10.071,1111 23.693,1112 4.417,1113 14.987,1114 16.724,1115 10.549,1116 31.443,1117 15.077,1118 2.573,1119 9.123,1120 25.802,1121 3.9,1122 16.325,1123 18.206,1124 11.6,1125 34.301,1126 16.43,1127 2.322,1128 8.301,1129 27.92,1130 3.713,1131 17.66,1132 19.607,1133 12.476,1134 37.157,1135 17.78,1136 2.059,1137 6.756,1138 30.044,1139 3.412,1140 19.004,1141 21.077,1142 13.489,1143 40.015,1144 19.138,1145 2.026,1146 6.639,1147 32.174,1148 3.301,1149 20.35,1150 22.509,1151 14.4,1152 42.873,1153 20.497,1154 12373,1155 22428,1156 23.868,1157 38.563,1158 56.276,1159 59.561,1160 61.224,1161 55.752,1162 55.85,1163 73.519,1164 16.298,1165 172.491,1166 54.662,1167 5.937,1168 6.502,1169 8.199,1170 5.888,1171 5.877,1172 7.417,1173 4.612,1174 26.128,1175 5.918,1176 19.98,1177 1.521,1178 1.61,1179 1.655,1180 1.507,1181 1.509,1182 1.987,1183 0.44,1184 4.662,1185 1.477,1186 4.123,1187 4.134,1188 4.091,1189 4.056,1190 7.814,1191 4.061,1192 3.906,1193 3.927,1194 3.852,1195 3.834,1196 7.444,1197 3.833,1198 3.86,1199 3.873,1200 3.812,1201 3.782,1202 7.408,1203 3.785,1204 3.736,1205 3.767,1206 3.694,1207 3.45,1208 6.999,1209 3.478,1210 3.463,1211 3.479,1212 3.403,1213 3.205,1214 4.934,1215 3.263,1216 3.249,1217 3.314,1218 3.097,1219 2.964,1220 4.858,1221 2.988,1222 3.247,1223 3.309,1224 3.052,1225 2.958,1226 4.682,1227 2.966,1228 3.192,1229 3.256,1230 3.021,1231 2.936,1232 4.496,1233 2.943,1234 0.136,1235 0.122,1236 0.23,1237 0.132,1238 0.105,1239 5.02,1240 0.119,1241 4.502,1242 0.071,1243 8.52,1244 0.471,1245 4.888,1246 0.106,1247 3.877,1248 4.417,1249 2.612,1250 17.43,1251 3.918,1252 1.986,1253 1.97,1254 2.074,1255 2.098,1256 1.363,1257 2.082,1258 1.887,1259 1.868,1260 1.986,1261 1.969,1262 1.085,1263 1.968,1264 1.859,1265 1.842,1266 1.956,1267 1.959,1268 1.073,1269 1.96,1270 1.591,1271 1.564,1272 1.74,1273 1.904,1274 0.894,1275 1.837,1276 1.342,1277 1.322,1278 1.576,1279 1.641,1280 0.6,1281 1.598,1282 1.192,1283 1.117,1284 1.57,1285 1.523,1286 0.575,1287 1.539,1288 1.187,1289 1.114,1290 1.557,1291 1.502,1292 0.569,1293 1.522,1294 1.149,1295 1.077,1296 1.381,1297 1.422,1298 0.498,1299 1.432,1300 4.317,1302 5.673,1303 2.398,1304 7.258,1305 5.043,1306 8.952,1307 7.402,1308 10.71,1310 4.427,1315 -0.633,1318 15.964,1320 -1.084,1322 -1.856,1326 37.82,1327 86.57,1328 189.083,1329 230.872,1330 265.681,1331 275.945,1332 286.21,1333 103.376,1334 7.688,1335 107.65,1336 107.65,1337 23,1338 13.25,1339 4.524,1340 3.807,1341 55.969,1342 107,1343 160,1344 0.242,1345 230.237,1346 417.07,1347 553.538,1348 17813,1350 24.457,1351 0.719,1352 0.557,1353 24.457,1354 18.94,1355 16.376,1356 0.443,1357 0.285,1358 10.349,1359 15.534,1360 10.041,1361 8.324,1362 16.376,1363 10.549,1364 14.461,1365 0.268,1366 0.147,1367 14.461,1368 7.923,1369 13.038,1370 0.163,1371 0.079,1372 13.038,1373 6.344,1374 11.438,1375 0.1,1376 0.042,1377 11.438,1378 4.746,1379 9.563,1380 0.062,1381 0.022,1382 9.563,1383 3.4,1384 0.356,1385 104.692,1386 0.205,1387 30.017,1388 0.747,1389 182,1390 637.794,1391 200.687,1392 594.627,1393 788.35,1394 552,1395 225,1396 559.57,1397 244.052,1398 562.764,1399 823.42,1400 524,1401 4.875}
{0 CHEMBL1410986,1 1.57,2 9.333,3 3.237,4 10.479,5 80.764,6 8.245,7 0.522,8 3.633,9 3.736,10 3.29,11 3.252,12 4.859,13 3.242,14 4.105,15 4.25,16 3.643,17 3.598,18 5.35,19 3.582,20 4.336,21 4.51,22 3.716,23 3.696,24 5.641,25 3.666,26 4.332,27 4.528,28 3.474,29 3.596,30 5.548,31 3.532,32 4.209,33 4.425,34 3.304,35 3.468,36 5.359,37 3.383,38 4.086,39 4.308,40 3.208,41 3.305,42 5.288,43 3.235,44 3.937,45 4.149,46 3.129,47 3.192,48 5.144,49 3.144,50 3.802,51 3.982,52 3.047,53 3.156,54 5.057,55 3.085,56 0.026,57 0.526,58 5.263,59 2.942,60 4.709,61 3.446,62 0.131,63 0.848,64 9.925,65 4.621,66 9.483,67 5.556,68 0.239,69 1.059,70 14.178,71 6.092,72 32.558,73 7.22,74 0.281,75 0.975,76 15.426,77 6.079,78 46.407,79 7.056,80 0.19,81 0.813,82 13.956,83 5.578,84 28.348,85 7.069,86 0.187,87 0.732,88 12.976,89 5.094,90 32.069,91 6.38,92 0.205,93 0.645,94 11.089,95 4.136,96 34.267,97 4.925,98 0.169,99 0.606,100 8.465,101 3.73,102 23.974,103 4.511,104 10,105 32,106 0.286,107 0.584,108 0.73,109 0.847,110 0.858,111 0.858,112 3.103,113 0.854,114 -4.49,115 -4.41,116 -4.16,120 50,125 1,136 2,143 8,144 1,145 3,157 1,159 1,174 9,176 1,177 3,185 9,188 2,189 7,197 7,201 6,209 3,214 6,222 3,227 7,235 4,240 4,247 5,260 7,271 6,274 557,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.254,281 14.493,282 8.299,283 14.332,284 11.312,285 11.312,286 11.312,287 11.312,288 11.312,289 8.405,290 19.261,291 3.94,292 11.639,293 3.517,294 1.882,295 1.081,296 0.434,297 0.375,298 0.375,299 3.784,305 1,306 1,307 1,308 423,309 2.345,313 169.797,317 89.815,320 1.302,321 22.946,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 196,334 4.488,335 3.784,336 6.719,337 4.142,338 3.18,339 4.04,340 1.2,341 10.791,342 3.056,343 4.046,344 2.917,345 5.906,346 3.614,347 2.629,348 3.656,349 0.6,350 8.048,351 2.589,352 3.863,353 2.899,354 5.419,355 3.452,356 2.457,357 3.287,358 0.293,359 7.143,360 2.439,361 3.493,362 2.554,363 5.262,364 3.082,365 2.135,366 2.784,368 6.272,369 2.006,370 3.348,371 2.328,372 4.885,373 2.957,374 2.016,375 2.518,377 5.671,378 1.885,379 2.894,380 1.801,381 4.022,382 2.424,383 1.431,384 2.059,386 3.149,387 1.419,388 2.706,389 1.443,390 3.657,391 2.175,392 1.172,393 1.698,395 2.958,396 1.171,397 2.5,398 1.029,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.353,407 1,408 3.297,409 1.71,410 0.728,411 1.078,413 1.695,414 0.711,415 1.86,416 0.855,417 3.038,418 1.313,419 0.3,420 0.426,422 0.699,423 0.299,424 1.209,425 0.344,426 2.656,427 0.871,428 -0.071,429 -0.085,431 -0.168,432 -0.065,433 0.987,434 -0.062,435 2.208,436 0.574,437 -0.372,438 -0.492,440 -0.859,441 -0.345,442 0.61,443 -0.479,444 2,445 0.159,446 -0.82,447 -1.058,449 -1.99,450 -0.792,451 0.5,452 -0.65,453 2,455 -1,456 -1.291,458 -2.616,459 -0.943,460 0.437,461 -0.811,462 1.679,463 -0.041,464 -1,465 -1.5,467 -3,468 -1,469 9.919,470 0.472,471 0.524,472 0.025,473 30.75,474 1.464,475 17.5,476 0.833,477 13.25,478 0.631,479 12.306,480 0.586,481 21.281,482 0.626,483 21.276,484 1.013,485 6.362,486 0.303,487 3.786,488 0.18,489 0.113,491 0.343,494 1,496 0.549,497 1.024,498 0.653,499 0.963,500 0.524,501 0.863,502 0.658,503 1.018,504 0.751,505 0.934,506 0.571,507 0.874,508 0.938,509 1.046,510 0.939,511 1.03,512 0.893,513 0.992,514 1.206,515 0.921,516 1.225,517 1.027,518 1.21,519 1.1,520 0.789,521 0.796,522 1.04,523 1.018,524 0.761,525 1.064,526 0.954,527 0.885,528 0.95,529 0.972,530 0.982,531 0.964,532 1.199,533 0.787,534 1.001,535 0.779,536 1.202,537 0.822,538 0.839,539 0.886,540 1.088,541 1.099,542 0.94,543 1.151,544 4,545 0.062,546 2.667,547 1.313,548 1.44,549 0.521,550 0.344,551 0.295,552 0.156,553 0.092,554 4447,555 13690,556 2.074,557 38.2,559 13,567 1.629,568 1.938,569 3.191,570 -0.797,572 1,574 1,575 53.381,576 1.57,577 3.206,578 4.006,579 4.653,580 4.712,581 4.712,582 2.643,583 4.011,584 4.365,585 3.305,586 693.954,587 7.466,588 7331.47,589 1,590 1,591 1,592 1,593 172.974,594 1.418,595 4.322,596 0.174,597 0.009,598 0.083,599 0.04,600 0.058,601 0.025,602 0.018,603 0.016,604 0.01,605 0.008,606 0.44,607 0.83,608 1,609 0.61,610 94.909,611 -0.011,612 -0.12,613 0.041,614 -0.049,615 -0.055,616 -0.007,617 0.035,618 -0.084,619 0.046,620 -0.027,621 0.022,622 0.002,623 0.001,624 -0.052,625 -0.039,626 -0.097,627 0.009,628 -0.083,629 -0.207,630 -0.023,631 -0.268,632 -0.086,633 -0.177,634 -0.163,635 -0.072,636 -0.039,637 -0.081,638 -0.067,639 -0.029,640 -0.07,641 -0.061,642 -0.062,643 0.064,644 0.005,645 -0.032,646 0.05,647 -0.169,648 0.096,649 0.006,650 0.179,651 -0.126,652 0.149,653 0.044,654 0.027,655 -0.177,656 -0.134,657 -0.029,658 -0.198,659 1.952,660 5.247,661 0.762,662 14.88,663 1.01,664 1.119,665 3.255,666 10.595,667 0.705,668 3.178,669 3.497,670 3.761,671 3.97,672 4.22,673 4.19,674 4.205,675 4.277,676 4.369,677 4.277,678 5.408,679 0.685,680 280.32,681 3.178,682 4.71,683 5.557,684 6.425,685 7.29,686 8.163,687 9.034,688 9.91,689 10.785,690 11.664,691 5.9,698 1,700 1,709 8,714 4,716 12,737 1,738 34,739 15,740 2,741 23,743 36,744 17,745 12,746 4,747 8,748 4,752 3,753 4,768 16,769 1,772 3,778 1,780 2,781 1,782 2,785 1,786 1,787 1,789 13,790 4,792 4,797 2,803 0.667,804 1,823 3,827 1,834 1,839 1,845 2,855 2,859 1,861 1,862 21,875 1,885 1,886 2.9,889 1,893 10.833,894 6.543,895 4.611,896 1.936,898 3.312,899 1.489,900 1.005,901 3.469,902 10.09,903 3.497,904 4.078,905 4.663,906 5.175,907 5.743,908 5.926,909 6.242,910 6.617,911 6.998,912 7.2,913 1,914 33,915 7.746,917 3.313,918 7.976,919 14.442,921 11.638,924 2.476,925 52,929 153.024,930 128.44,931 19.91,933 25.145,934 14.96,936 128.44,937 178.169,938 34.87,939 8.396,940 3.124,941 94.762,942 32.606,943 34.606,944 14.96,945 153.024,947 153.024,948 148.35,949 40.105,952 167.984,953 25.145,956 19.91,957 109.488,958 18.952,960 167.984,961 45.055,962 128.44,965 153.024,966 25.281,967 106.283,969 56.891,970 153.024,971 60.015,972 128.44,973 0.585,974 0.345,975 0.177,976 0.1,977 16,978 7,979 0.056,980 2,981 1,982 1.125,983 3.358,984 159.536,985 0.125,986 16,987 88.239,993 13.413,994 5.432,995 2.669,997 60.015,998 13.54,1003 2.083,1006 341.48,1007 32,1013 12.247,1015 3.403,1016 4.374,1017 0.201,1020 34.345,1021 38.037,1022 0.309,1023 0.63,1024 0.788,1025 0.915,1026 0.926,1027 0.926,1028 4.718,1029 1,1030 5.541,1031 2.958,1032 4.174,1033 4.762,1034 1.526,1035 6.34,1036 4.118,1037 5.931,1038 0.728,1039 7.099,1040 2.275,1041 3.761,1042 4.443,1043 0.325,1044 7.226,1045 3.644,1046 7.231,1047 0.3,1048 8.758,1049 1.695,1050 5.759,1051 6.916,1052 1.567,1053 10.328,1054 5.641,1055 8.566,1056 -0.071,1057 10.477,1058 0.699,1059 6.155,1060 7.385,1061 0.653,1062 12.037,1063 5.977,1064 9.931,1065 -0.372,1066 12.233,1067 -0.168,1068 7.629,1069 9.316,1070 1.756,1071 14.681,1072 7.445,1073 11.317,1074 -0.82,1075 14.017,1076 -0.859,1077 8.408,1078 10.175,1079 1.001,1080 16.748,1081 8.165,1082 12.72,1083 -1,1084 15.822,1085 -1.99,1086 9.674,1087 11.852,1088 1.997,1089 19.233,1090 9.414,1091 3.18,1092 -1,1093 17.642,1094 -2.616,1095 10.642,1096 12.928,1097 1.37,1098 21.465,1099 10.327,1100 2.629,1101 10.791,1102 19.475,1103 -3,1104 11.826,1105 14.47,1106 2.265,1107 23.889,1108 11.484,1109 2.457,1110 8.048,1111 21.319,1112 4.04,1113 12.888,1114 15.672,1115 1.754,1116 26.198,1117 12.493,1118 2.135,1119 7.143,1120 23.172,1121 3.656,1122 14.043,1123 17.14,1124 2.551,1125 28.597,1126 13.614,1127 2.016,1128 6.272,1129 25.033,1130 3.287,1131 15.15,1132 18.417,1133 2.143,1134 30.942,1135 14.672,1136 1.431,1137 5.671,1138 26.9,1139 2.784,1140 16.298,1141 19.845,1142 2.851,1143 33.329,1144 15.781,1145 1.172,1146 3.149,1147 28.773,1148 2.518,1149 17.427,1150 21.166,1151 2.535,1152 35.691,1153 16.864,1154 4314,1155 7669,1156 15.315,1157 23.972,1158 35.276,1159 35.778,1160 35.589,1161 34.261,1162 34.099,1163 46.093,1164 4.186,1165 97.4,1166 33.147,1167 5.358,1168 5.784,1169 6.401,1170 5.212,1171 5.18,1172 7.04,1173 2.293,1174 18.318,1175 5.056,1176 9.615,1177 1.534,1178 1.556,1179 1.547,1180 1.49,1181 1.483,1182 2.004,1183 0.182,1184 4.235,1185 1.441,1186 4.011,1187 4.043,1188 3.972,1189 3.917,1190 8.201,1191 3.924,1192 3.9,1193 3.928,1194 3.848,1195 3.831,1196 7.428,1197 3.831,1198 3.564,1199 3.596,1200 3.504,1201 3.445,1202 4.863,1203 3.455,1204 3.322,1205 3.396,1206 3.214,1207 3.13,1208 4.676,1209 3.14,1210 3.037,1211 3.098,1212 2.933,1213 2.857,1214 4.375,1215 2.862,1216 2.854,1217 2.925,1218 2.688,1219 2.735,1220 4.018,1221 2.715,1222 2.827,1223 2.894,1224 2.687,1225 2.667,1226 3.902,1227 2.653,1228 2.697,1229 2.743,1230 2.586,1231 2.566,1232 3.674,1233 2.563,1234 0.195,1235 0.165,1236 0.292,1237 0.18,1238 0.138,1239 4.488,1240 0.176,1241 3.784,1242 0.052,1243 6.719,1244 0.469,1245 4.142,1246 0.133,1247 3.18,1248 4.04,1249 1.2,1250 10.791,1251 3.056,1252 1.953,1253 1.926,1254 2.042,1255 2.07,1256 1.128,1257 2.06,1258 1.89,1259 1.865,1260 1.994,1261 1.978,1262 1.079,1263 1.985,1264 1.527,1265 1.496,1266 1.674,1267 1.679,1268 0.718,1269 1.679,1270 1.292,1271 1.219,1272 1.575,1273 1.521,1274 0.623,1275 1.542,1276 0.995,1277 0.937,1278 1.184,1279 1.212,1280 0.218,1281 1.208,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.216,1287 1.107,1288 0.837,1289 0.768,1290 1.128,1291 1.038,1292 0.188,1293 1.071,1294 0.668,1295 0.629,1296 0.88,1297 0.85,1299 0.856,1300 3.85,1302 5.165,1304 6.688,1306 8.308,1308 9.978,1310 1.724,1312 12.852,1321 1.576,1326 23.302,1327 53.381,1328 109,1329 136.219,1330 158.219,1331 160.219,1332 160.219,1333 34.143,1334 6.778,1335 34.89,1336 34.89,1337 18,1338 12.202,1339 4,1340 3.322,1341 32.287,1342 67,1343 73,1344 0.236,1345 144.097,1346 256.88,1347 343.355,1348 7349,1349 2.9,1350 14.82,1351 0.706,1352 0.545,1353 13.949,1354 11.454,1355 10.148,1356 0.441,1357 0.285,1358 6.46,1359 9.806,1360 6.291,1361 5.241,1362 9.754,1363 6.544,1364 9.126,1365 0.285,1366 0.148,1367 8.504,1368 4.735,1369 7.903,1370 0.188,1371 0.079,1372 7.492,1373 3.311,1374 6.092,1375 0.117,1376 0.042,1377 5.95,1378 2.159,1379 5.124,1380 0.076,1381 0.022,1382 4.84,1383 1.443,1384 0.367,1385 63.361,1386 0.256,1387 20.839,1388 0.651,1389 110,1390 379.137,1391 120.514,1392 345.877,1393 465.33,1394 322,1395 129,1396 337.956,1397 139.675,1398 339.179,1399 494.36,1400 319,1401 4.438}
{0 CHEMBL1411024,1 1.85,2 11.4,3 3.52,4 12.392,5 99.468,6 9.776,7 0.593,8 3.761,9 3.838,10 3.633,11 3.448,12 5.043,13 3.394,14 4.19,15 4.284,16 4.062,17 3.811,18 5.562,19 3.717,20 4.36,21 4.505,22 3.994,23 3.81,24 5.646,25 3.72,26 4.338,27 4.503,28 3.843,29 3.678,30 5.633,31 3.579,32 4.208,33 4.361,34 3.736,35 3.468,36 5.636,37 3.387,38 4.043,39 4.215,40 3.492,41 3.344,42 5.344,43 3.274,44 4.032,45 4.195,46 3.507,47 3.35,48 5.364,49 3.289,50 4.04,51 4.196,52 3.56,53 3.316,54 5.643,55 3.233,56 0.12,57 0.542,58 4.706,59 3.374,60 12.56,61 3.226,62 0.281,63 0.869,64 14.192,65 6.26,66 36.904,67 5.632,68 0.361,69 0.988,70 15.378,71 7.069,72 44.969,73 6.715,74 0.335,75 1.003,76 20.054,77 7.578,78 33.057,79 6.835,80 0.507,81 0.864,82 17.034,83 6.277,84 63.175,85 5.105,86 0.345,87 0.743,88 15.375,89 5.368,90 34.807,91 5.052,92 0.247,93 0.658,94 10.239,95 4.913,96 32.941,97 4.943,98 0.461,99 0.678,100 14.059,101 5.53,102 83.93,103 4.924,104 11,105 36,106 0.326,107 0.654,108 0.758,109 0.86,110 0.907,111 0.916,112 3.266,113 1.007,114 -3.82,115 -3.78,116 -3.59,120 44.7,126 1,143 8,144 2,147 1,153 1,156 1,159 2,163 1,168 1,170 1,172 1,174 9,175 1,177 5,180 2,182 1,185 10,186 2,188 1,189 7,194 4,197 6,198 2,201 6,202 1,206 4,209 3,210 1,213 2,214 4,217 2,219 4,220 1,222 2,226 1,227 3,230 1,231 1,232 1,235 1,240 4,241 1,245 2,247 2,251 1,252 6,255 1,257 2,260 3,261 1,264 5,269 1,271 3,274 920,275 16.913,276 16.913,277 16.913,278 16.913,279 16.913,280 14.544,281 8.429,282 10.242,283 17.402,284 13.349,285 13.349,286 13.349,287 13.349,288 13.349,289 9.758,290 4.879,291 4.87,292 14.188,293 3.397,294 1.54,295 0.947,296 0.368,297 0.105,298 0.053,299 3.949,305 1,306 1,307 1,308 611,309 3.674,312 59.173,313 171.692,316 114.857,320 1.872,321 28.597,323 1,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 54.5,333 285,334 4.458,335 4.463,336 6.403,337 3.958,338 2.983,339 4.401,340 3.359,341 9.738,342 2.951,343 4.331,344 3.603,345 6.243,346 3.884,347 2.959,348 3.957,349 1.714,350 9.473,351 2.707,352 3.7,353 3.564,354 5.193,355 3.375,356 2.4,357 2.93,358 1.437,359 6.447,360 2.336,361 3.465,362 2.892,363 4.97,364 2.998,365 2.083,366 2.771,368 5.837,369 1.971,370 3.398,371 2.653,372 4.893,373 2.922,374 1.979,375 2.624,377 5.299,378 1.731,379 3.045,380 2.447,381 4.414,382 2.527,383 1.536,384 2.298,386 4.312,387 1.519,388 3.032,389 1.88,390 3.767,391 2.462,392 1.532,393 2.228,395 3.267,396 1.407,397 2.855,398 1.532,399 3.61,400 2.353,401 1.388,402 2.016,404 2.978,405 1.317,406 2.582,407 1.446,408 3.466,409 2.032,410 1.067,411 1.483,413 2.362,414 1.022,415 2.53,416 1.343,417 3.4,418 2.005,419 1,420 1.469,422 2.301,423 0.994,424 1.847,425 1.26,426 3,427 1.349,428 0.507,429 0.606,431 1.168,432 0.411,433 1.759,434 0.601,435 3,436 1.236,437 0.347,438 0.521,440 0.86,441 0.303,442 1.257,443 0.447,444 2.484,445 0.926,446 -0.074,447 -0.09,449 -0.171,450 -0.073,451 0.852,452 0.39,453 2,454 0.324,455 -0.649,456 -0.832,458 -1.553,459 -0.582,460 0.744,461 0.347,462 2,463 0.246,464 -0.714,465 -1.001,467 -1.741,468 -0.684,469 12.367,470 0.495,471 0.541,472 0.022,473 34.25,474 1.37,475 19,476 0.76,477 15.25,478 0.61,479 17.723,480 0.709,481 25.433,482 0.669,483 23.425,484 0.937,485 6.807,486 0.272,487 5.324,488 0.213,489 0.081,491 0.283,496 0.724,497 0.854,498 0.699,499 0.721,500 0.667,501 0.726,502 0.506,503 1.142,504 0.895,505 1.035,506 0.492,507 0.976,508 0.934,509 1.047,510 0.918,511 0.958,512 0.957,513 0.978,514 1.114,515 1.242,516 1.268,517 1.228,518 0.916,519 1.102,520 1.373,521 1.07,522 1.24,523 1.11,524 1.437,525 1.068,526 0.985,527 0.998,528 1.171,529 1.09,530 1.004,531 0.998,532 1.206,533 1.044,534 0.722,535 0.842,536 1.25,537 0.964,538 1.235,539 0.98,540 1.067,541 0.946,542 1.273,543 0.928,544 4.5,545 0.097,546 2.444,547 1.667,548 0.964,549 0.486,550 0.431,551 0.253,552 0.172,553 0.075,554 8280,555 28756,556 2.062,557 34.2,559 10,561 1,562 2,567 1.672,568 1.948,569 3.468,570 0.352,572 1,575 70.319,576 1.85,577 3.708,578 4.301,579 4.88,580 5.143,581 5.195,582 2.855,583 4.054,584 4.622,585 3.702,586 1110.72,587 7.946,588 14580.9,589 1,590 1,592 1,593 199.421,594 1.323,595 4.583,596 0.167,597 0.006,598 0.068,599 0.049,600 0.033,601 0.02,602 0.02,603 0.012,604 0.008,605 0.005,606 0.387,607 0.33,608 1,609 0.739,610 124.346,611 -0.059,612 0.147,613 0.027,614 0.129,615 -0.089,616 0.076,617 0.188,618 -0.112,619 0.08,620 -0.027,621 0.137,622 -0.095,623 -0.053,624 -0.055,625 0.026,626 0.001,627 -0.072,628 -0.033,629 -0.16,630 -0.196,631 -0.146,632 -0.169,633 -0.035,634 -0.114,635 -0.046,636 -0.007,637 -0.133,638 -0.071,639 -0.112,640 -0.133,641 0.04,642 0.052,643 -0.142,644 -0.103,645 -0.023,646 -0.03,647 -0.131,648 -0.136,649 0.082,650 0.008,651 -0.074,652 -0.003,653 0.119,654 -0.006,655 0.013,656 0.087,657 0.262,658 0.058,659 2.709,660 4.855,661 0.6,662 22.192,663 1.023,664 1.106,665 2.586,666 6.688,667 0.75,668 3.332,669 3.611,670 3.829,671 4.043,672 4.159,673 4.078,674 4.127,675 4.159,676 3.932,677 3.951,678 7.173,679 0.716,680 371.47,681 3.332,682 4.844,683 5.666,684 6.518,685 7.357,686 8.211,687 9.057,688 9.913,689 10.762,690 11.619,691 7.9,698 1,700 1,701 1,708 2,709 8,710 1,713 1,714 3,716 16,725 1,738 38,739 19,740 2,741 27,743 40,744 17,745 13,746 4,747 8,748 2,752 3,753 4,755 1,768 16,769 1,772 3,778 2,780 1,781 1,782 2,785 1,786 1,789 13,790 6,791 2,792 8,793 2,797 3,803 0.667,804 3,822 1,823 2,826 1,853 1,855 2,856 1,857 2,862 25,868 1,869 1,871 1,873 1,879 1,886 7.9,888 1,889 2,893 12.833,894 6.767,895 5.583,896 2.017,898 3.712,899 1.534,900 0.967,901 5.791,902 10.667,903 3.664,904 4.245,905 4.809,906 5.394,907 5.846,908 5.992,909 6.311,910 6.581,911 6.269,912 6.451,913 1,914 34,915 9.202,917 3.897,918 8.033,919 17.031,921 13.55,924 2.533,925 63.333,929 129.482,930 164.13,931 51.337,933 92.973,935 63.497,936 100.633,937 222.455,938 51.337,940 18.788,941 75.81,942 136.192,943 25.178,944 0.746,945 181.208,947 129.482,948 151.969,949 92.973,950 63.497,952 129.482,953 92.973,956 37.595,957 88.541,958 25.833,959 63.497,960 129.482,961 144.31,962 164.13,965 129.482,966 79.273,967 84.857,968 17.888,969 126.422,970 129.482,971 144.31,972 164.13,973 0.571,974 0.325,975 0.175,976 0.09,977 16,978 7,979 0.15,980 6,981 1,982 1.133,983 3.876,984 189.697,985 0.133,986 15,987 116.096,989 2,993 17.585,994 8.233,995 4.65,996 1.993,997 144.31,998 14.232,999 4.441,1002 1.533,1003 1.37,1005 60.572,1006 437.922,1007 38,1013 22.949,1015 1.323,1016 3.821,1017 -1.326,1020 38.858,1021 42.039,1022 0.353,1023 0.707,1024 0.819,1025 0.93,1026 0.98,1027 0.99,1028 4.86,1029 1.388,1030 5.624,1031 3.267,1032 4.29,1033 4.931,1034 3.474,1035 6.375,1036 4.183,1037 6.061,1038 1.067,1039 7.144,1040 2.978,1041 3.761,1042 4.663,1043 1.593,1044 7.172,1045 3.624,1046 7.353,1047 1,1048 8.767,1049 2.362,1050 5.82,1051 7.132,1052 5.6,1053 10.244,1054 5.623,1055 8.683,1056 0.507,1057 10.451,1058 2.301,1059 6.133,1060 7.741,1061 3.49,1062 11.919,1063 5.903,1064 10.045,1065 0.347,1066 12.177,1067 1.168,1068 7.639,1069 9.654,1070 7.951,1071 14.476,1072 7.366,1073 11.432,1074 -0.074,1075 13.931,1076 0.86,1077 8.356,1078 10.699,1079 5.885,1080 16.504,1081 8.048,1082 12.838,1083 -0.649,1084 15.707,1085 -0.171,1086 9.624,1087 12.368,1088 10.351,1089 18.88,1090 9.283,1091 2.983,1092 -0.714,1093 17.499,1094 -1.553,1095 10.538,1096 13.631,1097 8.462,1098 21.051,1099 10.16,1100 2.959,1101 9.738,1102 19.302,1103 -1.741,1104 11.701,1105 15.187,1106 12.762,1107 23.359,1108 11.295,1109 2.4,1110 9.473,1111 21.115,1112 4.401,1113 12.708,1114 16.555,1115 11.056,1116 25.585,1117 12.267,1118 2.083,1119 6.447,1120 22.935,1121 3.957,1122 13.826,1123 18.06,1124 15.175,1125 27.867,1126 13.358,1127 1.979,1128 5.837,1129 24.76,1130 2.93,1131 14.877,1132 19.48,1133 13.632,1134 30.117,1135 14.377,1136 1.536,1137 5.299,1138 26.59,1139 2.771,1140 15.976,1141 20.964,1142 17.589,1143 32.389,1144 15.451,1145 1.532,1146 4.312,1147 28.424,1148 2.624,1149 17.047,1150 22.408,1151 16.188,1152 34.647,1153 16.493,1154 7949,1155 14962,1156 18.087,1157 28.483,1158 40.229,1159 43.33,1160 40.718,1161 39.445,1162 39.561,1163 54.608,1164 13.019,1165 108.081,1166 37.34,1167 5.335,1168 6.463,1169 6.091,1170 5.143,1171 4.983,1172 7.401,1173 6.685,1174 16.187,1175 4.951,1176 11.204,1177 1.49,1178 1.605,1179 1.508,1180 1.461,1181 1.465,1182 2.023,1183 0.482,1184 4.003,1185 1.383,1186 4.042,1187 4.055,1188 4.374,1189 4.052,1190 7.475,1191 3.994,1192 3.943,1193 3.965,1194 3.899,1195 3.877,1196 7.429,1197 3.876,1198 3.605,1199 3.645,1200 3.746,1201 3.486,1202 6.351,1203 3.434,1204 3.319,1205 3.356,1206 3.447,1207 3.232,1208 4.96,1209 3.202,1210 3.279,1211 3.267,1212 3.241,1213 3.049,1214 4.814,1215 3.069,1216 3.169,1217 3.217,1218 3.21,1219 2.996,1220 4.521,1221 3.012,1222 2.884,1223 2.939,1224 2.937,1225 2.791,1226 4.287,1227 2.769,1228 2.763,1229 2.839,1230 2.815,1231 2.608,1232 3.728,1233 2.58,1234 0.165,1235 0.165,1236 0.237,1237 0.147,1238 0.11,1239 4.458,1240 0.163,1241 4.463,1242 0.124,1243 6.403,1244 0.361,1245 3.958,1246 0.109,1247 2.983,1248 4.401,1249 3.359,1250 9.738,1251 2.951,1252 1.919,1253 1.899,1254 2.015,1255 2.008,1256 1.105,1257 2.009,1258 1.898,1259 1.88,1260 1.98,1261 1.963,1262 1.1,1263 1.979,1264 1.516,1265 1.498,1266 1.605,1267 1.744,1268 0.857,1269 1.722,1270 1.251,1271 1.226,1272 1.359,1273 1.429,1274 0.39,1275 1.422,1276 1.132,1277 1.124,1278 1.246,1279 1.396,1280 0.356,1281 1.358,1282 1.09,1283 1.059,1284 1.204,1285 1.266,1286 0.227,1287 1.277,1288 0.917,1289 0.883,1290 1.032,1291 1.003,1292 0.182,1293 1.051,1294 0.762,1295 0.704,1296 1.018,1297 0.987,1298 0.01,1299 1.022,1300 4.007,1302 5.293,1303 2.398,1304 6.763,1305 4.727,1306 8.318,1307 6.823,1308 9.918,1314 9.086,1315 0.178,1317 2.395,1319 1.336,1326 27.217,1327 70.319,1328 140.892,1329 163.421,1330 185.421,1331 195.421,1332 197.421,1333 47.4,1334 6.955,1335 91.65,1336 145.19,1337 17,1338 12.173,1339 4.322,1340 3.585,1341 42.189,1342 110,1343 79,1344 0.183,1345 177.02,1346 302.87,1347 423.688,1348 10655,1350 17.648,1351 0.706,1352 0.58,1353 18.355,1354 14.511,1355 12.131,1356 0.449,1357 0.336,1358 7.327,1359 10.898,1360 7.017,1361 5.821,1362 12.993,1363 9.061,1364 10.708,1365 0.297,1366 0.199,1367 12.026,1368 7.175,1369 8.502,1370 0.189,1371 0.119,1372 10.068,1373 5.364,1374 6.959,1375 0.124,1376 0.07,1377 8.557,1378 3.911,1379 5.327,1380 0.085,1381 0.044,1382 6.978,1383 2.786,1384 0.3,1385 84.504,1386 0.235,1387 25.008,1388 0.469,1389 126,1390 438.965,1391 192.402,1392 465.433,1393 617.75,1394 432,1395 144,1396 408.019,1397 195.649,1398 441.581,1399 640.89,1400 413,1401 5.253}
{0 CHEMBL1411119,1 1.641,2 11.077,3 5.053,4 25.537,5 108.032,6 8.083,7 0.207,8 3.963,9 4.077,10 3.651,11 3.614,12 4.993,13 3.541,14 4.542,15 4.707,16 4.138,17 4.084,18 5.523,19 3.993,20 4.832,21 5.019,22 4.137,23 4.224,24 5.793,25 4.091,26 5.007,27 5.272,28 3.819,29 4.139,30 5.843,31 3.924,32 4.892,33 5.243,34 3.783,35 3.864,36 5.695,37 3.666,38 4.31,39 4.49,40 3.843,41 3.719,42 5.435,43 3.602,44 4.314,45 4.492,46 3.896,47 3.731,48 5.404,49 3.596,50 4.258,51 4.418,52 3.661,53 3.601,54 5.505,55 3.496,56 0.043,57 0.694,58 9.629,59 4.738,60 7.512,61 6.107,62 0.162,63 1.199,64 20.866,65 8.636,66 24.718,67 11.462,68 0.18,69 1.534,70 31.332,71 11.88,72 32.595,73 15.417,74 0.299,75 1.728,76 38.459,77 13.843,78 45.66,79 18.778,80 0.469,81 1.491,82 43.551,83 12.895,84 61.739,85 17.031,86 0.219,87 0.984,88 23.011,89 6.901,90 29.172,91 7.433,92 0.209,93 0.963,94 27.265,95 7.661,96 26.4,97 8.047,98 0.327,99 0.86,100 24.049,101 6.749,102 44.587,103 7.144,104 26,105 45,106 0.28,107 0.632,108 0.767,109 0.824,110 0.824,111 0.824,112 3.304,113 1.045,114 -6.54,115 -6.36,116 -5.9,120 41.7,121 3,122 3,123 1,124 2,136 1,139 1,143 4,144 1,145 1,157 1,159 1,160 1,170 1,174 14,176 1,177 3,180 1,182 1,185 24,188 1,189 8,194 2,197 19,201 5,204 1,206 5,209 3,213 1,214 7,219 4,222 5,227 9,232 2,235 4,240 7,245 2,247 6,252 8,260 6,264 3,269 1,271 11,274 964,275 16.938,276 16.938,277 16.938,278 16.938,279 16.938,280 15.409,281 15.002,282 9.425,283 17.364,284 14.252,285 14.252,286 14.252,287 14.252,288 14.252,289 11.878,290 16.02,291 4.459,292 15.021,293 3.944,294 1.883,295 1.094,296 0.756,297 0.756,298 0.756,299 3.991,303 1,306 1,307 1,308 633,309 3.536,312 210.763,313 173.064,320 1.923,321 22.541,324 0.75,325 0.83,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.78,332 54.833,333 288,334 4.969,335 4.692,336 8.6,337 4.935,338 3.937,339 4.049,340 3.653,341 16.885,342 3.929,343 4.328,344 4.115,345 6.562,346 3.893,347 2.964,348 3.808,349 1.497,350 9.331,351 2.765,352 3.991,353 3.426,354 6.172,355 3.539,356 2.585,357 3.525,358 1.114,359 9.194,360 2.474,361 3.7,362 3.043,363 5.48,364 3.476,365 2.489,366 2.894,367 0.371,368 7.172,369 2.441,370 3.52,371 2.927,372 5.407,373 3.068,374 2.157,375 2.757,377 6.308,378 1.981,379 3.284,380 2.803,381 5.081,382 2.951,383 1.996,384 2.43,386 5.967,387 1.825,388 3.069,389 2.304,390 4.865,391 2.819,392 1.866,393 2.078,395 5.514,396 1.722,397 2.766,398 2.183,399 4.485,400 2.43,401 1.45,402 1.694,404 4.005,405 1.413,406 2.57,407 1.582,408 4.124,409 2.186,410 1.265,411 1.546,413 3.508,414 1.125,415 2.5,416 1.208,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 1.772,425 1,426 3.34,427 1.61,428 0.645,429 0.69,431 1.569,432 0.615,433 1.445,434 0.959,435 3.271,436 1.034,437 0.15,438 0.18,440 0.367,441 0.119,442 1.165,443 0.645,444 2.935,445 0.941,446 -0.04,447 -0.042,449 -0.104,450 -0.039,451 1.012,452 0.241,453 2.883,454 0.481,455 -0.432,456 -0.606,458 -1.066,459 -0.329,460 0.619,461 0.094,462 2.675,463 0.317,464 -0.636,465 -0.722,467 -1.811,468 -0.608,469 13.081,470 0.503,471 0.965,472 0.037,473 28,474 1.077,475 12,476 0.462,477 16,478 0.615,479 29.293,480 1.127,481 27.719,482 0.577,483 16.986,484 0.653,485 4.59,486 0.177,487 7.703,488 0.296,489 0.195,490 0.076,491 0.268,496 0.566,497 1.033,498 0.651,499 0.857,500 0.567,501 0.886,502 0.45,503 0.989,504 0.61,505 0.836,506 0.426,507 0.81,508 0.716,509 1.318,510 0.969,511 1.241,512 0.633,513 1.224,514 0.739,515 1.239,516 0.852,517 1.083,518 0.651,519 1.228,520 0.773,521 0.489,522 0.495,523 0.399,524 0.596,525 0.354,526 1.799,527 1.117,528 1.392,529 1.115,530 1.545,531 0.871,532 1.573,533 1.228,534 1.35,535 1.263,536 1.559,537 0.953,538 1.773,539 1.197,540 1.698,541 1.552,542 1.949,543 1.177,544 8,545 0.156,546 5.111,547 3.035,548 1.223,549 0.695,550 0.65,551 0.445,552 0.377,553 0.172,554 8664,555 21775,556 2.059,557 45.8,558 14,559 5,562 1,563 2,567 1.685,568 1.88,569 3.376,570 -0.332,575 78.777,576 1.641,577 3.702,578 4.491,579 4.829,580 4.829,581 4.829,582 2.888,583 4.287,584 4.675,585 3.611,586 1173.6,587 8.07,588 14904.9,590 1,593 268.078,594 1.767,595 4.594,596 0.276,597 0.009,598 0.114,599 0.072,600 0.047,601 0.025,602 0.022,603 0.016,604 0.016,605 0.01,606 0.606,607 0.33,608 0.88,609 0.638,610 128.409,611 0.051,612 0.093,613 0.045,614 0.069,615 -0.02,616 0.05,617 0.206,618 0.073,619 0.175,620 0.124,621 0.185,622 0.157,623 0.032,624 -0.297,625 -0.113,626 -0.287,627 0.059,628 -0.259,629 0.014,630 -0.288,631 -0.077,632 -0.204,633 -0.008,634 -0.262,635 0.147,636 0.442,637 0.431,638 0.573,639 0.211,640 0.651,641 -0.325,642 0.124,643 -0.122,644 0.079,645 -0.134,646 0.048,647 -0.207,648 -0.022,649 -0.026,650 -0.003,651 -0.168,653 -0.084,654 -0.022,655 -0.37,656 -0.357,657 -0.026,658 -0.252,659 1.896,660 5.155,661 0.692,662 22.379,663 0.997,664 1.119,665 5.307,666 28.168,667 0.7,668 3.401,669 3.829,670 4.143,671 4.369,672 4.511,673 4.489,674 4.522,675 4.635,676 4.771,677 4.89,678 6.649,679 0.647,680 387.97,681 3.401,682 5.004,683 5.894,684 6.817,685 7.731,686 8.658,687 9.583,688 10.515,689 11.448,690 12.386,691 6.3,693 1,700 2,709 4,714 2,716 6,737 1,738 48,739 10,740 1,741 29,743 51,744 20,745 6,746 2,747 4,748 4,752 4,753 5,754 1,755 1,759 3,760 2,762 2,763 3,764 1,766 3,768 11,769 9,770 1,772 4,778 1,780 1,781 2,782 4,789 22,790 4,791 1,792 6,793 2,797 3,803 0.75,804 1,822 3,823 2,845 2,855 3,856 1,857 1,859 3,860 1,862 26,869 3,871 1,873 1,874 1,876 2,885 1,886 2.1,889 1,893 13.833,894 9.626,895 5.382,896 3,898 2.544,899 1.338,900 0.956,901 4.377,902 10.061,903 3.611,904 4.197,905 4.694,906 5.129,907 5.534,908 5.708,909 6.026,910 6.402,911 6.697,912 6.933,913 1,914 42,915 9.643,917 4.231,918 7.645,919 18.806,921 16.51,924 2.145,925 55.778,928 1,929 247.193,930 130.071,931 51.337,932 39.149,933 25.145,935 32.22,936 97.852,937 311.487,938 51.337,939 26.476,940 7.604,941 65.269,942 34.157,943 40.135,944 0.693,945 279.413,946 39.149,947 247.193,948 149.189,949 25.145,950 71.368,952 247.193,953 25.145,956 85.416,957 52.746,958 50.176,959 32.22,960 247.193,961 76.482,962 169.22,965 247.193,966 56.215,967 73.857,968 17.888,969 97.742,970 247.193,971 76.482,972 169.22,973 0.615,974 0.368,975 0.177,976 0.09,977 25,978 11,979 0.059,980 3,981 2,982 1.167,983 3.798,984 223.859,985 0.222,986 17,987 116.211,989 1,993 17.971,994 6.333,995 2.999,997 76.482,998 7.378,1003 1.602,1005 17.888,1006 492.895,1007 36,1013 12.155,1015 1.83,1016 8.755,1017 2.123,1020 47.869,1021 53.72,1022 0.294,1023 0.663,1024 0.804,1025 0.865,1026 0.865,1027 0.865,1028 4.938,1029 1.45,1030 5.979,1031 5.514,1032 4.511,1033 4.883,1034 3.491,1035 6.952,1036 4.427,1037 6.193,1038 1.265,1039 7.664,1040 4.005,1041 4.511,1042 4.868,1043 2.289,1044 8.529,1045 4.417,1046 7.561,1047 1,1048 9.485,1049 3.508,1050 6.34,1051 7.013,1052 5.813,1053 11.695,1054 6.227,1055 8.968,1056 0.645,1057 11.396,1058 2.275,1059 7.171,1060 7.725,1061 5.003,1062 14.169,1063 7.077,1064 10.412,1065 0.15,1066 13.372,1067 1.569,1068 8.617,1069 9.434,1070 8.334,1071 17.063,1072 8.519,1073 11.884,1074 -0.04,1075 15.396,1076 0.367,1077 9.786,1078 10.468,1079 7.839,1080 19.798,1081 9.707,1082 13.379,1083 -0.432,1084 17.455,1085 -0.104,1086 11.147,1087 12.001,1088 10.881,1089 22.64,1090 11.072,1091 3.937,1092 -0.636,1093 19.54,1094 -1.066,1095 12.441,1096 13.194,1097 10.629,1098 25.442,1099 12.379,1100 2.964,1101 16.885,1102 21.644,1103 -1.811,1104 13.793,1105 14.646,1106 13.434,1107 28.272,1108 13.736,1109 2.585,1110 9.331,1111 23.761,1112 4.049,1113 15.133,1114 15.922,1115 13.376,1116 31.092,1117 15.082,1118 2.489,1119 9.194,1120 25.888,1121 3.808,1122 16.49,1123 17.335,1124 15.989,1125 33.919,1126 16.442,1127 2.157,1128 7.172,1129 28.022,1130 3.525,1131 17.847,1132 18.655,1133 16.089,1134 36.744,1135 17.802,1136 1.996,1137 6.308,1138 30.161,1139 2.894,1140 19.209,1141 20.05,1142 18.546,1143 39.571,1144 19.166,1145 1.866,1146 5.967,1147 32.303,1148 2.757,1149 20.573,1150 21.395,1151 18.78,1152 42.396,1153 20.531,1154 8191,1155 13259,1156 18.781,1157 33.591,1158 46.037,1159 49.385,1160 47.118,1161 45.039,1162 45.005,1163 54.302,1164 13.272,1165 144.19,1166 42.817,1167 5.969,1168 6.692,1169 8.014,1170 6.06,1171 5.937,1172 7.049,1173 7.132,1174 26.216,1175 5.929,1176 14.599,1177 1.587,1178 1.703,1179 1.625,1180 1.553,1181 1.552,1182 1.872,1183 0.458,1184 4.972,1185 1.476,1186 4.076,1187 4.116,1188 4.107,1189 3.999,1190 7.431,1191 3.991,1192 3.939,1193 3.957,1194 3.976,1195 3.901,1196 4.949,1197 3.885,1198 3.709,1199 3.731,1200 3.943,1201 3.633,1202 4.805,1203 3.6,1204 3.333,1205 3.413,1206 3.371,1207 3.15,1208 4.514,1209 3.142,1210 3.228,1211 3.313,1212 3.185,1213 3.039,1214 4.365,1215 3.036,1216 3.16,1217 3.255,1218 3.014,1219 2.995,1220 4.163,1221 2.966,1222 3.045,1223 3.101,1224 2.924,1225 2.92,1226 3.822,1227 2.908,1228 2.874,1229 3.009,1230 2.888,1231 2.735,1232 3.739,1233 2.715,1234 0.171,1235 0.162,1236 0.297,1237 0.17,1238 0.136,1239 4.969,1240 0.14,1241 4.692,1242 0.126,1243 8.6,1244 0.582,1245 4.935,1246 0.135,1247 3.937,1248 4.049,1249 3.653,1250 16.885,1251 3.929,1252 1.91,1253 1.891,1254 1.994,1255 1.97,1256 1.351,1257 1.987,1258 1.794,1259 1.75,1260 1.976,1261 1.934,1262 1.321,1263 1.948,1264 1.74,1265 1.69,1266 1.958,1267 1.872,1268 1.104,1269 1.904,1270 1.427,1271 1.423,1272 1.533,1273 1.637,1274 0.715,1275 1.587,1276 1.309,1277 1.255,1278 1.487,1279 1.496,1280 0.646,1281 1.505,1282 1.121,1283 1.023,1284 1.456,1285 1.378,1286 0.615,1287 1.438,1288 1.088,1289 1.015,1290 1.417,1291 1.286,1292 0.469,1293 1.324,1294 0.934,1295 0.821,1296 1.269,1297 1.239,1298 0.311,1299 1.308,1300 4.078,1302 5.476,1303 3.434,1304 7.069,1305 6.009,1306 8.751,1307 8.247,1308 10.487,1310 7.026,1311 5.901,1315 3.506,1317 3.045,1319 1.33,1320 0.702,1322 0.425,1326 31.062,1327 78.777,1328 177.714,1329 215.549,1330 231.814,1331 231.814,1332 231.814,1333 46.033,1334 7.517,1335 54.35,1336 82.59,1337 21,1338 12.884,1339 3.459,1340 3,1341 38.332,1342 105,1343 107,1344 0.179,1345 196.395,1346 351.25,1347 470.963,1348 19273,1349 2.1,1350 18.527,1351 0.713,1352 0.644,1353 19.38,1354 16.747,1355 12.293,1356 0.424,1357 0.348,1358 8.949,1359 11.291,1360 8.475,1361 7.017,1362 12.99,1363 10.101,1364 12.321,1365 0.274,1366 0.211,1367 13.398,1368 9.515,1369 10.816,1370 0.174,1371 0.125,1372 11.892,1373 7.727,1374 8.275,1375 0.106,1376 0.067,1377 9.283,1378 5.262,1379 6.384,1380 0.071,1381 0.038,1382 7.3,1383 3.45,1384 0.286,1385 82.908,1386 0.231,1387 25.295,1388 0.478,1389 148,1390 366.422,1391 198.02,1392 413.132,1393 559.79,1394 384,1395 181,1396 381.51,1397 221.683,1398 416.407,1399 611.15,1400 390,1401 5.919}
{0 CHEMBL1411344,1 1.827,2 9.136,3 2.664,4 7.096,5 85.117,6 9.496,7 0.458,8 3.641,9 3.733,10 3.395,11 3.222,12 4.939,13 3.232,14 4.082,15 4.186,16 3.806,17 3.585,18 5.456,19 3.586,20 4.329,21 4.474,22 3.796,23 3.701,24 5.661,25 3.663,26 4.301,27 4.455,28 3.793,29 3.616,30 5.828,31 3.577,32 4.208,33 4.392,34 3.57,35 3.559,36 5.427,37 3.491,38 4.2,39 4.376,40 3.563,41 3.465,42 5.521,43 3.434,44 4.093,45 4.272,46 3.444,47 3.303,48 5.468,49 3.264,50 3.918,51 4.086,52 3.291,53 3.143,54 5.341,55 3.062,56 0.128,57 0.487,58 3.951,59 2.544,60 14.206,61 2.383,62 0.24,63 0.777,64 6.978,65 3.996,66 18.877,67 4.236,68 0.373,69 0.926,70 14.095,71 6.208,72 48.696,73 5.79,74 0.51,75 0.863,76 14.202,77 6.067,78 85.499,79 6.129,80 0.377,81 0.801,82 12.019,83 5.667,84 33.287,85 6.952,86 0.319,87 0.794,88 12.811,89 5.422,90 38.319,91 5.705,92 0.359,93 0.693,94 12.191,95 4.861,96 48.375,97 4.903,98 0.358,99 0.586,100 11.725,101 4.495,102 52.939,103 3.787,104 17,105 34,106 0.334,107 0.658,108 0.769,109 0.833,110 0.833,111 0.833,112 3.147,113 0.85,114 -2.46,115 -2.49,116 -2.44,120 45.5,136 1,137 1,143 6,145 2,152 1,153 1,159 2,160 1,174 4,177 7,180 2,181 1,182 4,185 3,189 5,194 4,197 4,200 1,204 2,209 7,213 2,214 2,217 3,219 2,222 8,227 2,232 2,235 2,240 4,245 7,252 4,257 5,274 624,275 14.585,276 14.585,277 14.585,278 14.585,279 14.585,280 12.705,281 16.206,282 8.479,283 14.884,284 11.826,285 11.826,286 11.826,287 11.826,288 11.826,289 8.855,290 13.1,291 4.021,292 12.327,293 3.217,294 1.44,295 0.834,296 0.485,297 0.485,298 0.485,299 3.822,305 1,306 1,307 1,308 427,309 2.236,312 59.958,313 135.515,320 1.331,321 28.312,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48.5,333 201,334 4.469,335 3.933,336 6.558,337 4.077,338 3.104,339 4.123,340 1.784,341 10.375,342 3.038,343 4.27,344 3.516,345 6.376,346 3.901,347 2.936,348 3.707,349 1.037,350 9.655,351 2.815,352 3.85,353 3.273,354 5.307,355 3.399,356 2.434,357 3.393,358 0.938,359 6.671,360 2.346,361 3.521,362 3.127,363 5.018,364 3.026,365 2.131,366 2.719,368 5.962,369 1.916,370 3.303,371 2.615,372 4.901,373 2.905,374 1.915,375 2.564,377 5.511,378 1.906,379 3.299,380 2.125,381 4.879,382 2.868,383 1.879,384 2.414,386 5.225,387 1.783,388 2.732,389 1.568,390 3.975,391 2.229,392 1.245,393 1.751,395 3.129,396 1.219,397 2.5,398 1.076,399 3.447,400 2,401 1,402 1.5,404 2.275,405 1,406 2.354,407 1,408 3.414,409 1.85,410 0.888,411 1.284,413 2.188,414 0.851,415 2.227,416 0.977,417 3.255,418 1.524,419 0.516,420 0.825,422 1.335,423 0.509,424 1.135,425 0.948,426 2.653,427 0.749,428 -0.188,429 -0.237,431 -0.417,432 -0.174,433 1,434 0.679,435 2.497,436 0.658,437 -0.347,438 -0.414,440 -0.898,441 -0.343,442 1,443 0.11,444 2.364,445 0.384,446 -0.558,447 -0.686,449 -1.403,450 -0.485,451 0.699,452 -0.274,453 2,454 0.237,455 -0.725,456 -1.149,458 -1.699,459 -0.704,460 0.5,461 -0.717,462 1.618,464 -1,465 -1.479,467 -3,468 -1,469 10.533,470 0.479,471 0.63,472 0.029,473 30.5,474 1.386,475 16,476 0.727,477 14.5,478 0.659,479 13.659,480 0.621,481 22.467,482 0.681,483 22.994,484 1.045,485 6.413,486 0.291,487 4.129,488 0.188,489 0.174,491 0.37,496 0.853,497 1.106,498 0.58,499 0.709,500 0.685,501 0.709,502 0.553,503 1.244,504 0.613,505 0.991,506 0.536,507 0.962,508 1.126,509 1.039,510 1.068,511 1.013,512 1.025,513 1.023,514 0.836,515 0.93,516 0.801,517 0.943,518 0.842,519 0.995,520 0.437,521 0.768,522 0.629,523 0.791,524 0.65,525 0.99,526 1.015,527 1.113,528 0.859,529 0.987,530 0.953,531 1.031,532 1.275,533 1.011,534 0.872,535 0.911,536 1.218,537 0.99,538 1.626,539 0.964,540 1.337,541 1,542 1.613,543 1.042,544 5,545 0.033,546 2.889,547 1.625,548 1.232,549 0.604,550 0.652,551 0.299,552 0.187,553 0.174,554 4709,555 17641,556 2.043,557 33.3,559 7,560 1,562 3,567 1.647,568 1.886,569 3.143,570 1.114,572 1,574 1,575 60.298,576 1.827,577 3.605,578 4.211,579 4.56,580 4.56,581 4.56,582 2.629,583 4.005,584 4.432,585 3.27,586 755.367,587 7.623,588 8164.08,589 1,590 1,591 1,592 1,593 166.465,594 1.495,595 4.376,596 0.208,597 0.005,598 0.085,599 0.049,600 0.041,601 0.022,602 0.025,603 0.014,604 0.012,605 0.017,606 0.479,607 0.5,608 1,609 0.65,610 100.316,611 -0.161,612 -0.063,613 -0.021,614 0.051,615 -0.126,616 0.059,617 0.145,618 -0.208,619 0.029,620 -0.195,621 0.06,622 -0.158,623 -0.216,624 -0.053,625 -0.178,626 -0.082,627 -0.132,628 -0.099,629 0.145,630 0.01,631 0.083,632 -0.027,633 0.184,634 -0.032,635 0.274,636 0.136,637 0.129,638 0.05,639 0.04,640 0.032,641 -0.113,642 -0.171,643 -0.012,644 -0.114,645 -0.049,646 -0.051,647 -0.189,648 -0.097,649 0.049,650 0.001,651 -0.103,652 0.012,653 -0.376,654 0.002,655 -0.147,656 0.087,657 -0.29,658 -0.035,659 2.202,660 4.864,661 0.773,662 15.306,663 1.027,664 1.112,665 1.232,666 1.517,667 0.73,668 3.219,669 3.555,670 3.807,671 4.06,672 4.205,673 4.263,674 4.277,675 4.317,676 4.344,677 4.369,678 5.303,679 0.712,680 313.36,681 3.219,682 4.762,683 5.609,684 6.491,685 7.354,686 8.239,687 9.109,688 9.994,689 10.868,690 11.753,691 9.1,698 2,699 1,709 7,714 3,715 1,716 11,734 1,738 33,739 15,740 1,741 24,743 35,744 15,745 10,746 2,747 4,748 4,752 3,753 3,757 1,768 15,772 4,778 2,779 1,780 1,782 4,785 1,786 1,789 11,790 5,791 3,792 7,793 1,797 3,800 2,803 1,804 3,818 1,822 1,823 2,845 1,846 1,855 3,857 1,862 22,868 1,871 2,886 9.1,888 1,889 2,893 11.667,894 5.817,895 4.778,896 1.744,898 2.943,899 1.431,900 0.98,901 3.895,902 9.764,903 3.541,904 4.123,905 4.669,906 5.221,907 5.627,908 5.969,909 6.326,910 6.657,911 6.902,912 7.195,913 1,914 33,915 8.094,917 3.529,918 8.152,919 14.737,921 11.895,924 2.652,925 58.333,929 94.169,930 138.966,931 37.921,933 92.973,935 45.192,936 93.774,937 187.142,938 37.921,940 36.022,941 75.381,942 102.382,943 7.841,944 14.812,945 82.398,946 45.192,947 94.169,948 131.695,949 92.973,950 45.192,952 94.169,953 92.973,956 37.921,957 84.298,958 9.476,959 45.192,960 94.169,961 130.894,962 138.966,965 94.169,966 18.393,967 77.28,968 36.022,969 138.165,970 94.169,971 130.894,972 138.966,973 0.589,974 0.342,975 0.184,976 0.094,977 17,978 8,979 0.057,980 2,982 1,983 3.373,984 172.912,986 17,987 86.107,990 1,993 14.656,994 5.846,995 3.019,997 128.995,998 11.939,1003 1.607,1004 1.792,1005 78.705,1006 364.029,1007 33.5,1013 23.728,1014 4.755,1015 1.485,1017 -1.09,1020 33.898,1021 36.704,1022 0.362,1023 0.715,1024 0.835,1025 0.904,1026 0.904,1027 0.904,1028 4.777,1029 1,1030 5.609,1031 3.129,1032 4.234,1033 4.808,1034 2.33,1035 6.422,1036 4.161,1037 5.999,1038 0.888,1039 7.174,1040 2.275,1041 3.892,1042 4.635,1043 1.305,1044 7.322,1045 3.769,1046 7.312,1047 0.516,1048 8.836,1049 2.188,1050 5.832,1051 6.962,1052 2.954,1053 10.414,1054 5.691,1055 8.658,1056 -0.188,1057 10.554,1058 1.335,1059 6.275,1060 7.582,1061 2.579,1062 12.134,1063 6.096,1064 10.032,1065 -0.347,1066 12.309,1067 -0.417,1068 7.712,1069 9.386,1070 3.814,1071 14.747,1072 7.514,1073 11.426,1074 -0.558,1075 14.09,1076 -0.898,1077 8.514,1078 10.38,1079 3.848,1080 16.81,1081 8.287,1082 12.837,1083 -0.725,1084 15.89,1085 -1.403,1086 9.754,1087 11.965,1088 4.818,1089 19.249,1090 9.505,1091 3.104,1092 -1,1093 17.704,1094 -1.699,1095 10.725,1096 13.148,1097 5.083,1098 21.458,1099 10.45,1100 2.936,1101 10.375,1102 19.53,1103 -3,1104 11.886,1105 14.632,1106 5.896,1107 23.827,1108 11.589,1109 2.434,1110 9.655,1111 21.366,1112 4.123,1113 12.934,1114 15.914,1115 6.289,1116 26.099,1117 12.612,1118 2.131,1119 6.671,1120 23.208,1121 3.707,1122 14.065,1123 17.352,1124 7.01,1125 28.44,1126 13.721,1127 1.915,1128 5.962,1129 25.056,1130 3.393,1131 15.149,1132 18.688,1133 7.477,1134 30.74,1135 14.781,1136 1.879,1137 5.511,1138 26.909,1139 2.719,1140 16.269,1141 20.105,1142 8.142,1143 33.07,1144 15.879,1145 1.245,1146 5.225,1147 28.765,1148 2.564,1149 17.37,1150 21.47,1151 8.653,1152 35.382,1153 16.957,1154 4636,1155 9093,1156 15.72,1157 24.074,1158 37.134,1159 39.215,1160 37.595,1161 36.226,1162 36.097,1163 48.561,1164 7.517,1165 104.651,1166 34.766,1167 5.469,1168 5.933,1169 6.047,1170 5.147,1171 5.104,1172 7.123,1173 3.193,1174 17.221,1175 5.038,1176 11.596,1177 1.547,1178 1.634,1179 1.566,1180 1.509,1181 1.504,1182 2.023,1183 0.313,1184 4.36,1185 1.449,1186 4.059,1187 4.096,1188 4.043,1189 3.948,1190 7.445,1191 3.96,1192 3.828,1193 3.85,1194 3.937,1195 3.723,1196 7.413,1197 3.726,1198 3.702,1199 3.735,1200 3.695,1201 3.57,1202 6.471,1203 3.571,1204 3.155,1205 3.181,1206 3.464,1207 3.161,1208 4.865,1209 3.07,1210 3.064,1211 3.085,1212 3.031,1213 2.739,1214 4.811,1215 2.767,1216 2.929,1217 2.957,1218 2.841,1219 2.735,1220 4.496,1221 2.757,1222 2.854,1223 2.925,1224 2.687,1225 2.68,1226 3.998,1227 2.715,1228 2.631,1229 2.639,1230 2.658,1231 2.499,1232 3.674,1233 2.479,1234 0.186,1235 0.164,1236 0.273,1237 0.17,1238 0.129,1239 4.469,1240 0.172,1241 3.933,1242 0.074,1243 6.558,1244 0.432,1245 4.077,1246 0.127,1247 3.104,1248 4.123,1249 1.784,1250 10.375,1251 3.038,1252 1.909,1253 1.883,1254 2.002,1255 2.027,1256 1.1,1257 2.019,1258 1.752,1259 1.734,1260 1.813,1261 1.917,1262 0.896,1263 1.89,1264 1.465,1265 1.427,1266 1.63,1267 1.593,1268 0.659,1269 1.613,1270 1.374,1271 1.329,1272 1.45,1273 1.586,1274 0.504,1275 1.564,1276 0.985,1277 0.975,1278 1.181,1279 1.242,1280 0.218,1281 1.159,1282 0.886,1283 0.821,1284 1.069,1285 1.142,1286 0.138,1287 1.147,1288 0.828,1289 0.806,1290 0.98,1291 1.062,1293 1.107,1294 0.687,1295 0.663,1296 0.907,1297 0.973,1299 0.951,1300 3.892,1302 5.22,1303 2.398,1304 6.735,1305 4.595,1306 8.337,1307 6.581,1308 9.985,1314 9.34,1317 4.778,1326 23.503,1327 60.298,1328 118.955,1329 138.955,1330 150.465,1331 150.465,1332 150.465,1333 40.834,1334 6.821,1335 90.88,1336 122.97,1337 17,1338 12.288,1339 4,1340 3.392,1341 34.393,1342 69,1343 73,1344 0.247,1345 149.631,1346 263.3,1347 356.86,1348 7695,1350 15.69,1351 0.713,1352 0.548,1353 16.19,1354 12.054,1355 10.542,1356 0.439,1357 0.283,1358 6.331,1359 9.864,1360 6.204,1361 5.124,1362 10.83,1363 6.804,1364 9.805,1365 0.288,1366 0.148,1367 10.214,1368 5.023,1369 7.969,1370 0.181,1371 0.076,1372 8.205,1373 3.348,1374 6.783,1375 0.119,1376 0.04,1377 7.155,1378 2.3,1379 4.833,1380 0.073,1381 0.021,1382 5.007,1383 1.408,1384 0.378,1385 69.223,1386 0.252,1387 21.463,1388 0.701,1389 116,1390 396.792,1391 143.367,1392 406.066,1393 537.14,1394 374,1395 136,1396 375.055,1397 156.827,1398 386.063,1399 562.87,1400 363,1401 4.976}
{0 CHEMBL1411904,1 1.589,2 12.741,3 1.757,4 3.088,5 106.326,6 7.225,7 0.533,8 4.049,9 4.179,10 3.603,11 3.487,12 5.092,13 3.49,14 4.612,15 4.808,16 3.911,17 3.856,18 5.586,19 3.84,20 4.792,21 5.021,22 3.929,23 3.979,24 5.7,25 3.92,26 4.83,27 5.086,28 3.826,29 3.994,30 5.708,31 3.889,32 4.824,33 5.103,34 3.674,35 3.938,36 5.61,37 3.802,38 4.699,39 4.974,40 3.622,41 3.777,42 5.542,43 3.671,44 4.545,45 4.805,46 3.586,47 3.622,48 5.463,49 3.559,50 4.436,51 4.679,52 3.524,53 3.601,54 5.361,55 3.54,56 0.054,57 0.798,58 11.282,59 4.162,60 8.374,61 5.949,62 0.382,63 1.221,64 22.395,65 6.396,66 26.068,67 9.519,68 0.416,69 1.396,70 27.395,71 7.93,72 29.905,73 12.354,74 0.446,75 1.421,76 28.711,77 9.047,78 33.787,79 13.847,80 0.36,81 1.317,82 29.247,83 9.217,84 30.886,85 14.515,86 0.385,87 1.165,88 25.957,89 7.277,90 31.423,91 11.782,92 0.403,93 1.021,94 22.157,95 5.397,96 30.275,97 9.092,98 0.358,99 0.962,100 19.397,101 5.221,102 25.062,103 8.177,104 3,105 40,106 0.267,107 0.607,108 0.772,109 0.825,110 0.825,111 0.825,112 3.339,113 0.922,114 -3.83,115 -3.79,116 -3.6,120 37.3,122 1,125 1,126 6,143 4,144 1,145 2,146 1,148 1,149 1,162 1,167 1,174 2,176 2,177 9,180 1,182 2,185 2,188 2,189 6,197 2,200 2,201 5,204 4,209 3,213 1,214 3,222 2,226 2,227 6,232 2,239 1,240 3,243 1,245 2,251 3,260 2,263 2,264 1,267 1,271 2,274 1209,275 18.991,276 18.991,277 18.991,278 18.991,279 18.991,280 17.181,281 27.417,282 11.502,283 19.725,284 14.78,285 14.78,286 14.78,287 14.78,288 14.78,289 11.999,290 35.245,291 5.388,292 15.846,293 4.084,294 2.059,295 1.074,296 0.76,297 0.76,298 0.76,299 4.044,305 1,306 1,307 1,308 751,309 2.915,312 58.319,313 246.357,316 111.13,320 2.195,321 18.543,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59,333 344,334 4.654,335 3.283,336 6.815,337 4.168,338 3.215,339 4.613,340 0.86,341 11.272,342 3.061,343 4.088,344 2.89,345 6.077,346 3.661,347 2.7,348 3.704,349 0.86,350 8.748,351 2.594,352 3.741,353 2.874,354 5.357,355 3.438,356 2.522,357 3.176,358 0.8,359 6.966,360 2.309,361 3.521,362 2.681,363 5.339,364 3.324,365 2.391,366 2.561,367 0.4,368 6.876,369 2.224,370 3.281,371 2.182,372 5.097,373 2.869,374 1.932,375 2.517,377 5.832,378 1.805,379 3.047,380 2.082,381 4.252,382 2.534,383 1.608,384 2.321,386 3.749,387 1.489,388 2.657,389 1.562,390 4.045,391 2.468,392 1.548,393 1.67,395 3.413,396 1.422,397 2.567,398 1.543,399 3.721,400 2.228,401 1.33,402 1.593,404 3.161,405 1.182,406 2.5,407 1.256,408 3.497,409 2.047,410 1.096,411 1.5,413 2.73,414 1.037,415 2.402,416 1.245,417 3.414,418 2,419 1,420 1.391,422 2.275,423 1,424 2.164,425 1,426 3.296,427 1.952,428 1,429 1.077,431 2.136,432 0.946,433 2,434 0.973,435 3.247,436 1.76,437 0.837,438 1,440 1.944,441 0.77,442 1.65,443 0.88,444 2.885,445 1.38,446 0.498,447 0.554,449 0.908,450 0.435,451 1.493,452 0.537,453 2.749,454 1.255,455 0.341,456 0.386,458 0.66,459 0.311,460 0.954,461 -0.078,462 2.369,463 0.644,464 -0.281,465 -0.319,467 -0.654,468 -0.259,469 12.567,470 0.465,471 0.41,472 0.015,473 34,474 1.259,475 15,476 0.556,477 19,478 0.704,479 21.172,480 0.784,481 30.033,482 0.589,483 23.699,484 0.878,485 6.878,486 0.255,487 6.47,488 0.24,489 0.04,491 0.263,496 0.89,497 1.613,498 0.791,499 1.313,500 0.756,501 1.074,502 1.434,503 1.089,504 1.001,505 0.902,506 1.135,507 0.884,508 1.096,509 1.15,510 0.978,511 0.972,512 0.834,513 0.957,514 0.705,515 0.915,516 0.996,517 1.016,518 0.779,519 1.044,520 0.63,521 1,522 0.893,523 0.991,524 0.832,525 0.984,526 0.837,527 1.007,528 0.928,529 0.939,530 0.923,531 0.938,532 1.1,533 1.047,534 0.987,535 0.868,536 1.048,537 0.884,538 1.188,539 0.803,540 1.1,541 0.832,542 1.376,543 0.913,544 3.5,545 0.11,546 2.667,547 1.222,548 0.997,549 0.587,550 0.402,551 0.295,552 0.184,553 0.122,554 10125,555 25066,556 2.165,557 47.1,559 19,561 2,562 1,565 2,567 1.696,568 2.104,569 3.608,570 -0.272,571 1,572 1,575 81.034,576 1.589,577 3.614,578 4.599,579 4.913,580 4.913,581 4.913,582 3.102,583 4.385,584 4.719,585 3.78,586 1326.62,587 8.172,588 17627.5,590 1,592 1,593 289.294,594 1.038,595 4.719,596 0.117,597 0.006,598 0.067,599 0.031,600 0.028,601 0.02,602 0.014,603 0.011,604 0.007,605 0.005,606 0.305,607 0.33,608 1,609 0.528,610 136.336,611 0.016,612 -0.333,613 0.092,614 -0.191,615 0.086,616 -0.06,617 -0.172,618 0.036,619 -0.02,620 0.08,621 -0.053,622 0.055,623 -0.087,624 -0.097,625 -0.008,626 0.013,627 0.086,628 0.012,629 0.054,630 0.117,631 -0.045,632 -0.03,633 0.079,634 -0.056,635 0.042,636 -0.063,637 0.063,638 0.012,639 -0.003,640 0.037,641 0.011,642 -0.045,643 0.053,644 0.013,645 0.014,646 0.038,647 -0.04,648 -0.035,649 0.018,650 0.038,651 0.01,652 0.044,653 -0.15,654 0.278,655 -0.116,656 0.096,657 -0.254,658 0.017,659 0.883,660 1.885,661 0.778,662 31.07,663 1.004,664 1.14,665 2.602,666 6.769,667 0.643,668 3.434,669 3.714,670 4.007,671 4.263,672 4.466,673 4.522,674 4.663,675 4.779,676 4.828,677 4.898,678 7.233,679 0.614,680 368.49,681 3.434,682 4.949,683 5.796,684 6.658,685 7.523,686 8.397,687 9.272,688 10.153,689 11.036,690 11.923,691 11.8,694 1,696 1,699 1,701 3,708 2,709 6,710 3,714 3,715 1,716 16,729 1,735 1,738 51,739 16,740 1,741 30,743 54,744 19,745 11,746 2,747 4,752 4,753 5,766 1,768 11,769 8,785 1,786 1,789 24,790 7,791 1,792 8,797 6,803 0.75,804 2,814 1,817 1,822 1,823 3,826 1,851 1,854 1,855 3,859 1,862 27,869 7,871 1,872 2,875 1,886 3.9,890 1,891 1,893 12.833,894 9.333,895 6.111,896 3.066,898 3.25,899 1.427,900 0.984,901 5.823,902 10.869,903 3.664,904 4.23,905 4.861,906 5.481,907 6.017,908 6.384,909 6.849,910 7.287,911 7.542,912 7.87,913 0.889,914 40,915 9.945,917 4.107,918 7.549,919 19.386,921 15.631,924 2.049,925 55.333,929 270.735,930 101.213,931 73.146,933 22,936 101.213,937 292.735,938 73.146,939 10.883,940 20.142,941 37.905,942 104.502,943 44.14,944 2.328,945 247.193,947 270.735,948 174.358,949 22,952 247.193,953 34.542,954 11,956 44.424,957 61.689,958 68.245,960 270.735,961 95.145,962 101.213,965 270.735,966 34.758,967 71.355,968 18.011,969 72.234,970 270.735,971 95.145,972 101.213,973 0.564,974 0.337,975 0.184,976 0.097,977 19,978 7,979 0.13,980 7,981 1,982 1.095,983 4.091,984 224.232,985 0.095,986 21,987 120.382,993 18.169,994 8.654,995 4.212,996 1.7,997 93.369,998 11.132,999 13.309,1003 2.567,1004 1.815,1005 18.011,1006 467.093,1007 38,1020 51.218,1021 58.145,1022 0.28,1023 0.637,1024 0.811,1025 0.866,1026 0.866,1027 0.866,1028 4.875,1029 1.33,1030 5.74,1031 3.413,1032 4.394,1033 4.916,1034 1.656,1035 6.521,1036 4.268,1037 6.04,1038 1.096,1039 7.27,1040 3.161,1041 3.761,1042 4.62,1043 0.325,1044 7.391,1045 3.588,1046 7.327,1047 1,1048 8.908,1049 2.73,1050 5.943,1051 7.127,1052 1.308,1053 10.516,1054 5.706,1055 8.659,1056 1,1057 10.615,1058 2.275,1059 6.236,1060 7.808,1061 0.268,1062 12.31,1063 5.959,1064 10.035,1065 0.837,1066 12.368,1067 2.136,1068 7.797,1069 9.72,1070 1.064,1071 14.942,1072 7.465,1073 11.441,1074 0.498,1075 14.156,1076 1.944,1077 8.534,1078 10.853,1079 0.188,1080 17.102,1081 8.161,1082 12.871,1083 0.341,1084 15.967,1085 0.908,1086 9.838,1087 12.529,1088 0.862,1089 19.585,1090 9.416,1091 3.215,1092 -0.281,1093 17.797,1094 0.66,1095 10.792,1096 13.875,1097 0.125,1098 21.894,1099 10.328,1100 2.7,1101 11.272,1102 19.642,1103 -0.654,1104 11.994,1105 15.456,1106 0.69,1107 24.332,1108 11.483,1109 2.522,1110 8.748,1111 21.499,1112 4.613,1113 13.054,1114 16.899,1115 0.082,1116 26.703,1117 12.498,1118 2.391,1119 6.966,1120 23.365,1121 3.704,1122 14.219,1123 18.443,1124 0.544,1125 29.127,1126 13.617,1127 1.932,1128 6.876,1129 25.24,1130 3.176,1131 15.329,1132 19.931,1133 0.054,1134 31.525,1135 14.681,1136 1.608,1137 5.832,1138 27.12,1139 2.561,1140 16.485,1141 21.462,1142 0.424,1143 33.946,1144 15.79,1145 1.548,1146 3.749,1147 29.007,1148 2.517,1149 17.62,1150 22.971,1151 0.035,1152 36.356,1153 16.878,1154 9520,1155 15139,1156 20.86,1157 32.796,1158 44.065,1159 44.528,1160 44.914,1161 44.036,1162 44.036,1163 56.126,1164 5.84,1165 121.338,1166 41.169,1167 5.654,1168 5.283,1169 6.617,1170 5.271,1171 5.215,1172 7.613,1173 1.72,1174 18.649,1175 5.061,1176 7.216,1177 1.469,1178 1.484,1179 1.497,1180 1.468,1181 1.468,1182 1.871,1183 0.195,1184 4.045,1185 1.372,1186 4.118,1187 4.168,1188 4.097,1189 3.959,1190 5.164,1191 3.986,1192 3.84,1193 3.891,1194 3.782,1195 3.74,1196 4.851,1197 3.747,1198 3.817,1199 3.86,1200 3.697,1201 3.61,1202 4.629,1203 3.621,1204 3.543,1205 3.615,1206 3.399,1207 3.343,1208 4.589,1209 3.342,1210 3.305,1211 3.375,1212 3.213,1213 3.028,1214 4.295,1215 3.065,1216 3.18,1217 3.262,1218 3.017,1219 2.941,1220 4.232,1221 2.925,1222 3.111,1223 3.206,1224 2.916,1225 2.91,1226 3.97,1227 2.91,1228 3.055,1229 3.146,1230 2.866,1231 2.78,1232 3.682,1233 2.799,1234 0.155,1235 0.109,1236 0.227,1237 0.139,1238 0.107,1239 4.654,1240 0.154,1241 3.283,1242 0.029,1243 6.815,1244 0.376,1245 4.168,1246 0.102,1247 3.215,1248 4.613,1249 0.86,1250 11.272,1251 3.061,1252 1.914,1253 1.885,1254 2.004,1255 2.06,1256 1.299,1257 2.039,1258 1.804,1259 1.76,1260 1.985,1261 1.999,1262 1.111,1263 1.998,1264 1.738,1265 1.68,1266 1.865,1267 1.934,1268 1.084,1269 1.918,1270 1.502,1271 1.435,1272 1.747,1273 1.724,1274 0.903,1275 1.737,1276 1.285,1277 1.22,1278 1.573,1279 1.595,1280 0.825,1281 1.571,1282 1.153,1283 1.064,1284 1.513,1285 1.439,1286 0.578,1287 1.44,1288 1.141,1289 1.055,1290 1.349,1291 1.376,1292 0.526,1293 1.429,1294 0.978,1295 0.884,1296 1.309,1297 1.3,1298 0.306,1299 1.306,1300 4.111,1302 5.398,1303 2.398,1304 6.893,1305 4.727,1306 8.481,1307 6.862,1308 10.119,1310 1.655,1315 6.693,1317 3.428,1318 10.601,1321 2.433,1326 31.299,1327 81.034,1328 184.297,1329 234.539,1330 250.539,1331 250.539,1332 250.539,1333 32.745,1334 7.619,1335 77.33,1336 77.33,1337 23,1338 12.455,1339 4.087,1340 3.17,1341 40.447,1342 115,1343 119,1344 0.169,1345 191.718,1346 320.22,1347 459.551,1348 23316,1350 18.476,1351 0.684,1352 0.573,1353 18.476,1354 15.466,1355 13.348,1356 0.445,1357 0.307,1358 9.019,1359 12.583,1360 8.857,1361 7.307,1362 13.348,1363 9.221,1364 11.237,1365 0.281,1366 0.161,1367 11.237,1368 6.448,1369 9.887,1370 0.183,1371 0.088,1372 9.887,1373 4.73,1374 8.258,1375 0.118,1376 0.046,1377 8.258,1378 3.232,1379 6.573,1380 0.076,1381 0.025,1382 6.573,1383 2.121,1384 0.271,1385 85.168,1386 0.219,1387 26.491,1388 0.446,1389 140,1390 420.029,1391 157.636,1392 395.094,1393 548.95,1394 376,1395 164,1396 408.433,1397 183.22,1398 409.127,1399 599.54,1400 384,1401 5.817}
{0 CHEMBL1412583,1 1.997,2 12.758,3 5.886,4 34.646,5 123.75,6 9.819,7 0.472,8 4.051,9 4.134,10 3.873,11 3.633,12 5.295,13 3.631,14 4.565,15 4.682,16 4.282,17 3.984,18 6.058,19 3.971,20 4.68,21 4.827,22 4.297,23 4.075,24 5.9,25 4.042,26 4.717,27 4.868,28 4.253,29 4.042,30 6.042,31 4.026,32 4.783,33 4.947,34 4.33,35 4.064,36 6.129,37 4.051,38 4.739,39 4.883,40 4.323,41 4.099,42 6.023,43 4.06,44 4.783,45 4.947,46 4.299,47 4.125,48 6.029,49 4.044,50 4.756,51 4.947,52 4.173,53 4.062,54 5.918,55 3.967,56 0.239,57 0.865,58 5.283,59 4.556,60 21.858,61 4.408,62 0.995,63 1.459,64 17.17,65 7.895,66 98.473,67 7.495,68 0.66,69 1.41,70 20.451,71 8.819,72 51.322,73 9.206,74 0.784,75 1.511,76 19.381,77 8.542,78 64.068,79 8.255,80 0.979,81 1.674,82 23.977,83 9.691,84 93.963,85 8.558,86 0.829,87 1.573,88 21.062,89 9.57,90 81.944,91 8.44,92 0.85,93 1.497,94 28.717,95 10.94,96 71.924,97 10.793,98 0.844,99 1.455,100 31.952,101 11.449,102 67.309,103 12.539,104 35,105 50,106 0.332,107 0.658,108 0.783,109 0.837,110 0.85,111 0.85,112 3.532,113 0.931,114 -6.46,115 -6.28,116 -5.83,120 44,121 1,126 2,130 1,136 1,137 1,143 8,144 2,145 2,157 1,159 1,162 1,163 1,167 2,174 10,176 3,177 10,185 13,188 2,189 14,197 11,200 2,201 14,209 6,213 2,214 16,222 5,227 14,235 8,239 4,240 9,247 10,251 3,252 8,260 9,263 1,264 11,271 10,274 2140,275 22.248,276 22.248,277 22.248,278 22.248,279 22.248,280 19.745,281 16.829,282 13.196,283 23.302,284 17.745,285 17.745,286 17.745,287 17.745,288 17.745,289 13.829,290 14.93,291 6.216,292 19.427,293 3.647,294 1.691,295 0.935,296 0.615,297 0.535,298 0.535,299 4.226,303 1,307 1,308 900,309 4.123,312 84.665,313 320.501,316 148.58,320 1.886,321 46.056,324 0.75,325 0.67,326 0.83,327 0.3,328 0.5,329 0.83,330 1,331 0.7,332 74.333,333 421,334 4.561,335 4.479,336 6.734,337 4.133,338 3.196,339 4.257,340 3.291,341 11.002,342 3.015,343 4.322,344 3.693,345 6.445,346 3.934,347 2.954,348 3.839,349 2.621,350 9.952,351 2.88,352 4.019,353 3.49,354 5.75,355 3.604,356 2.657,357 3.579,358 1.674,359 7.775,360 2.54,361 3.94,362 3.124,363 5.523,364 3.477,365 2.549,366 3.476,367 0.701,368 7.474,369 2.347,370 3.547,371 2.995,372 5.191,373 3.182,374 2.277,375 2.838,376 0.302,377 6.534,378 2.066,379 3.503,380 2.862,381 5.05,382 3.077,383 2.186,384 2.767,386 6.024,387 1.919,388 3.375,389 2.696,390 5.02,391 2.907,392 1.977,393 2.563,395 5.676,396 1.774,397 2.994,398 2.437,399 4.548,400 2.668,401 1.834,402 2.022,404 4.511,405 1.469,406 2.809,407 2.26,408 4.401,409 2.374,410 1.502,411 1.901,413 4.357,414 1.283,415 2.665,416 1.821,417 4.007,418 2.189,419 1.259,420 1.659,422 3.172,423 1.152,424 2.5,425 1.712,426 3.821,427 2.013,428 1.08,429 1.5,431 2.657,432 1,433 2.5,434 1.347,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.438,443 1.005,444 3.414,445 2,446 1,447 1.332,449 2.275,450 0.994,451 2.064,452 1,453 3.232,454 1.693,455 0.725,456 0.897,458 1.46,459 0.683,460 1.901,461 1,462 2.956,463 1.44,464 0.548,465 0.72,467 1.242,468 0.476,469 15.719,470 0.476,471 0.818,472 0.025,473 43.25,474 1.311,475 22,476 0.667,477 21.25,478 0.644,479 28.273,480 0.857,481 35.281,482 0.706,483 35.917,484 1.088,485 8.676,486 0.263,487 7.264,488 0.22,489 0.135,491 0.344,493 2,496 0.625,497 0.939,498 0.569,499 0.905,500 0.579,501 0.842,502 0.642,503 0.857,504 0.823,505 0.954,506 0.557,507 0.877,508 0.745,509 0.864,510 0.86,511 0.952,512 0.527,513 0.931,514 0.952,515 0.977,516 0.892,517 0.908,518 0.872,519 0.972,520 1.163,521 0.989,522 0.868,523 0.884,524 1.26,525 0.85,526 1.052,527 0.976,528 1.019,529 1.047,530 1.024,531 1.024,532 0.675,533 0.769,534 1.183,535 1.184,536 0.569,537 1.088,538 0.548,539 0.853,540 0.911,541 1.112,542 0.525,543 1.091,544 7,545 0.199,546 3.778,547 2.007,548 1.903,549 1.073,550 0.894,551 0.747,552 0.446,553 0.342,554 14919,555 59560,556 2.061,557 34,559 13,561 1,564 3,567 1.757,568 1.922,569 3.608,570 -0.661,575 99.844,576 1.997,577 3.953,578 4.709,579 5.029,580 5.109,581 5.109,582 3.075,583 4.741,584 5.01,585 3.778,586 1995.02,587 8.802,588 29750,593 282.193,594 1.434,595 4.971,596 0.194,597 0.006,598 0.076,599 0.039,600 0.038,601 0.021,602 0.018,603 0.016,604 0.011,605 0.009,606 0.427,607 0.17,608 0.75,609 1.208,610 174.851,611 -0.002,612 -0.012,613 0.034,614 -0.024,615 -0.07,616 -0.015,617 0.271,618 0.153,619 0.015,620 0.035,621 0.232,622 0.01,623 -0.06,624 -0.092,625 0.027,626 -0.018,627 -0.012,628 0.021,629 -0.14,630 -0.119,631 -0.097,632 -0.036,633 -0.069,634 -0.074,635 -0.186,636 0.012,637 -0.019,638 0.09,639 -0.164,640 0.073,641 -0.188,642 -0.021,643 -0.124,644 -0.034,645 -0.153,646 -0.105,647 0.024,648 0.017,649 -0.111,650 -0.078,651 0.045,652 -0.078,653 0.136,654 -0.056,655 0.069,656 -0.055,657 0.084,658 -0.005,659 4.247,660 5.742,661 0.636,662 37.15,663 1.038,664 1.13,665 5.226,666 27.308,667 0.717,668 3.611,669 3.932,670 4.19,671 4.466,672 4.71,673 4.82,674 5.011,675 5.176,676 5.252,677 5.333,678 7.364,679 0.705,680 490.95,681 3.611,682 5.153,683 5.999,684 6.878,685 7.747,686 8.634,687 9.514,688 10.406,689 11.293,690 12.187,691 8,699 1,700 1,701 2,709 8,710 2,714 6,715 1,716 17,735 1,737 1,738 50,739 20,740 2,741 36,743 53,744 22,745 14,746 4,747 8,748 4,752 4,753 5,754 1,759 1,768 18,769 4,772 3,778 1,780 1,781 1,782 3,787 2,789 17,790 8,792 11,793 2,797 4,803 0.75,804 3,822 1,823 3,826 1,841 1,845 1,846 1,855 3,856 1,857 1,859 1,860 1,861 2,862 33,869 2,872 2,873 1,874 1,883 1,885 3,886 6,889 1,891 2,893 17.167,894 9.479,895 7.306,896 2.94,898 3.964,899 1.498,900 0.981,901 7.435,902 11.932,903 3.882,904 4.469,905 5.049,906 5.622,907 6.15,908 6.483,909 6.931,910 7.386,911 7.718,912 8.028,913 0.889,914 51,915 12.263,917 5.289,918 8.114,919 22.366,921 17.855,924 2.614,925 86.278,929 200.109,930 173.265,931 51.766,932 39.149,933 47.145,934 29.92,935 32.22,936 141.046,937 286.402,938 81.686,939 8.825,940 5.492,941 85.286,942 82.518,943 89.353,945 220.557,946 49.321,947 200.109,948 192.812,949 77.065,950 71.368,952 164.795,953 112.378,956 45.95,957 104.059,958 81.951,959 32.22,960 230.029,961 98.91,962 212.414,965 210.281,966 68.981,967 95.888,969 166.203,970 200.109,971 128.831,972 212.414,973 0.577,974 0.326,975 0.179,976 0.101,977 23,978 11,979 0.132,980 7,981 1,982 1.095,983 4.326,984 305.701,985 0.095,986 21,987 156.465,989 1,993 23.432,994 10.471,995 5.615,997 127.054,998 13.018,999 8.394,1003 3.059,1004 1.569,1006 541.353,1007 47.5,1013 12.742,1015 1.598,1016 4.622,1017 0.163,1020 51.883,1021 56.486,1022 0.354,1023 0.7,1024 0.834,1025 0.891,1026 0.905,1027 0.905,1028 5.119,1029 1.834,1030 5.984,1031 5.676,1032 4.615,1033 5.156,1034 3.701,1035 6.788,1036 4.467,1037 6.329,1038 1.502,1039 7.537,1040 4.511,1041 4.205,1042 4.924,1043 2.547,1044 7.678,1045 3.967,1046 7.634,1047 1.259,1048 9.189,1049 4.357,1050 6.201,1051 7.325,1052 5.73,1053 10.774,1054 5.949,1055 8.975,1056 1.08,1057 10.899,1058 3.172,1059 6.594,1060 7.907,1061 4.711,1062 12.514,1063 6.28,1064 10.348,1065 1,1066 12.648,1067 2.657,1068 8.066,1069 9.773,1070 7.982,1071 15.134,1072 7.733,1073 11.743,1074 1,1075 14.425,1076 2.275,1077 8.838,1078 10.747,1079 6.71,1080 17.237,1081 8.451,1082 13.157,1083 0.725,1084 16.224,1085 2.275,1086 10.098,1087 12.377,1088 10.305,1089 19.694,1090 9.685,1091 3.196,1092 0.548,1093 18.04,1094 1.46,1095 11.056,1096 13.556,1097 8.66,1098 21.954,1099 10.59,1100 2.954,1101 11.002,1102 19.869,1103 1.242,1104 12.231,1105 15.073,1106 12.656,1107 24.357,1108 11.731,1109 2.657,1110 9.952,1111 21.709,1112 4.257,1113 13.28,1114 16.364,1115 10.594,1116 26.684,1117 12.728,1118 2.549,1119 7.775,1120 23.558,1121 3.839,1122 14.424,1123 17.829,1124 15.019,1125 29.069,1126 13.831,1127 2.277,1128 7.474,1129 25.415,1130 3.579,1131 15.518,1132 19.181,1133 12.523,1134 31.425,1135 14.872,1136 2.186,1137 6.534,1138 27.278,1139 3.476,1140 16.654,1141 20.624,1142 17.389,1143 33.806,1144 15.961,1145 1.977,1146 6.024,1147 29.146,1148 2.838,1149 17.772,1150 22.01,1151 14.451,1152 36.177,1153 17.024,1154 14431,1155 29006,1156 23.868,1157 35.858,1158 54.692,1159 57.401,1160 55.68,1161 53.942,1162 53.629,1163 69.87,1164 17.178,1165 153.12,1166 49.327,1167 5.486,1168 6.479,1169 6.503,1170 5.298,1171 5.196,1172 7.257,1173 6.581,1174 18.147,1175 5.015,1176 17.728,1177 1.519,1178 1.594,1179 1.547,1180 1.498,1181 1.49,1182 1.941,1183 0.477,1184 4.253,1185 1.37,1186 4.044,1187 4.085,1188 4.148,1189 3.937,1190 8.365,1191 3.939,1192 3.927,1193 3.948,1194 3.96,1195 3.86,1196 7.999,1197 3.859,1198 3.783,1199 3.813,1200 3.877,1201 3.685,1202 7.433,1203 3.673,1204 3.62,1205 3.645,1206 3.6,1207 3.423,1208 5.127,1209 3.448,1210 3.44,1211 3.499,1212 3.447,1213 3.246,1214 4.907,1215 3.239,1216 3.333,1217 3.379,1218 3.342,1219 3.058,1220 4.824,1221 3.058,1222 3.128,1223 3.169,1224 3.212,1225 2.92,1226 4.538,1227 2.95,1228 2.879,1229 2.925,1230 3.113,1231 2.735,1232 4.412,1233 2.715,1234 0.127,1235 0.124,1236 0.187,1237 0.115,1238 0.089,1239 4.561,1240 0.118,1241 4.479,1242 0.091,1243 6.734,1244 0.306,1245 4.133,1246 0.084,1247 3.196,1248 4.257,1249 3.291,1250 11.002,1251 3.015,1252 1.93,1253 1.91,1254 2.019,1255 2.025,1256 1.137,1257 2.022,1258 1.897,1259 1.876,1260 1.979,1261 1.977,1262 1.091,1263 1.984,1264 1.686,1265 1.661,1266 1.813,1267 1.845,1268 0.964,1269 1.834,1270 1.486,1271 1.43,1272 1.716,1273 1.735,1274 0.932,1275 1.748,1276 1.315,1277 1.28,1278 1.39,1279 1.556,1280 0.549,1281 1.501,1282 1.141,1283 1.099,1284 1.231,1285 1.441,1286 0.396,1287 1.387,1288 1.068,1289 1.035,1290 1.209,1291 1.374,1292 0.241,1293 1.329,1294 0.886,1295 0.821,1296 1.181,1297 1.158,1298 0.218,1299 1.141,1300 4.29,1302 5.609,1303 2.398,1304 7.116,1305 4.727,1306 8.709,1307 6.843,1308 10.351,1310 1.708,1311 5.979,1312 24.803,1315 0.557,1318 9.598,1319 1.38,1320 -2.914,1326 35.226,1327 99.844,1328 197.663,1329 235.438,1330 251.438,1331 255.438,1332 255.438,1333 67.049,1334 7.968,1335 78.6,1336 103.9,1337 23,1338 12.715,1339 4.392,1340 3.644,1341 54.165,1342 140,1343 164,1344 0.182,1345 221.053,1346 394.21,1347 531.13,1348 32434,1349 6,1350 23.372,1351 0.708,1352 0.57,1353 22.648,1354 18.816,1355 15.94,1356 0.443,1357 0.31,1358 9.721,1359 14.364,1360 9.433,1361 7.766,1362 15.827,1363 11.167,1364 14.44,1365 0.289,1366 0.161,1367 14.178,1368 8.065,1369 11.632,1370 0.179,1371 0.087,1372 12.401,1373 5.678,1374 9.807,1375 0.114,1376 0.046,1377 10.233,1378 3.973,1379 7.997,1380 0.073,1381 0.026,1382 8.717,1383 2.9,1384 0.285,1385 109.244,1386 0.205,1387 30.626,1388 0.502,1389 172,1390 721.073,1391 238.456,1392 679.388,1393 893.16,1394 634,1395 201,1396 598.707,1397 255.061,1398 612.111,1399 908.04,1400 572,1401 5.179}
{0 CHEMBL1412929,1 1.509,2 8.278,3 2.903,4 8.425,5 67.167,6 7.433,7 0.579,8 3.585,9 3.684,10 3.133,11 3.117,12 4.759,13 3.102,14 4.084,15 4.243,16 3.47,17 3.449,18 5.268,19 3.42,20 4.275,21 4.446,22 3.494,23 3.536,24 5.451,25 3.502,26 4.26,27 4.449,28 3.432,29 3.468,30 5.523,31 3.409,32 4.205,33 4.4,34 3.219,35 3.324,36 5.388,37 3.259,38 4.091,39 4.314,40 3.041,41 3.129,42 5.402,43 3.045,44 3.881,45 4.129,46 2.758,47 2.913,48 4.944,49 2.824,50 3.588,51 3.768,52 2.495,53 2.728,54 4.719,55 2.636,56 0.042,57 0.432,58 6.627,59 3.209,60 8.684,61 3.906,62 0.21,63 0.675,64 12.357,65 5.026,66 24.89,67 6.509,68 0.275,69 0.793,70 15.702,71 5.541,72 35.993,73 7.037,74 0.307,75 0.76,76 15.604,77 5.77,78 43.276,79 7.634,80 0.259,81 0.679,82 15.335,83 5.349,84 44.594,85 6.837,86 0.416,87 0.602,88 14.236,89 4.468,90 61.228,91 6.099,92 0.198,93 0.474,94 11.697,95 3.798,96 29.041,97 5.163,98 0.158,99 0.351,100 8.153,101 2.974,102 24.451,103 3.666,104 21,105 26,106 0.283,107 0.665,108 0.823,109 0.868,110 0.868,111 0.868,112 2.96,113 0.923,114 -3.18,115 -3.17,116 -3.05,120 42.4,121 2,122 1,126 1,143 4,144 2,145 1,147 2,159 1,174 5,176 1,177 7,182 2,185 8,189 2,194 1,197 5,200 2,201 4,204 1,206 3,209 5,214 1,219 2,222 4,227 5,230 2,235 2,240 4,247 1,252 2,257 1,260 2,264 2,271 2,274 328,275 11.886,276 11.886,277 11.886,278 11.886,279 11.886,280 10.395,281 12.19,282 7.123,283 12.17,284 9.353,285 9.353,286 9.353,287 9.353,288 9.353,289 7.05,290 11.736,291 3.339,292 9.713,293 3.535,294 1.491,295 0.652,296 0.409,297 0.409,298 0.409,299 3.613,306 1,307 1,308 305,309 2.915,313 87.437,317 74.843,320 1.309,321 21.984,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39.5,333 149,334 4.544,335 3.715,336 6.504,337 4.06,338 3.084,339 4.492,340 2.491,341 10.189,342 3.009,343 3.844,344 3.159,345 5.46,346 3.505,347 2.522,348 3.264,349 0.473,350 7.299,351 2.469,352 3.596,353 2.547,354 5.079,355 3.211,356 2.228,357 2.905,359 5.953,360 2.181,361 3.402,362 2.319,363 4.963,364 2.92,365 1.976,366 2.769,368 5.741,369 1.861,370 3.284,371 2.075,372 4.773,373 2.864,374 1.888,375 2.527,377 5.276,378 1.828,379 2.456,380 1.812,381 3.754,382 2.015,383 1.059,384 1.437,386 2.623,387 1.005,388 2.12,389 1.137,390 3.131,391 1.926,392 0.968,393 1.072,395 1.673,396 0.915,397 1.526,398 0.697,399 2.743,400 1.135,401 0.167,402 0.215,404 0.402,405 0.16,406 1.029,407 0.329,408 2.596,409 0.685,410 -0.281,411 -0.318,413 -0.605,414 -0.265,415 0.889,416 0.091,417 2.339,418 0.464,419 -0.49,420 -0.627,422 -1.056,423 -0.464,424 0.652,425 -0.243,426 2.137,427 0.383,428 -0.629,429 -0.786,431 -1.369,432 -0.63,433 0.613,434 -0.615,435 1.661,436 0.2,437 -0.779,438 -1.085,440 -2.266,441 -0.758,442 0.2,443 -0.719,444 1.444,445 -0.136,446 -1.125,447 -1.478,449 -2.869,450 -1.11,451 -0.069,452 -0.986,453 1.313,454 -0.395,455 -1.366,456 -1.816,458 -3.497,459 -1.323,460 -0.302,461 -1.179,462 1.11,463 -0.646,464 -1.584,465 -1.859,467 -4.005,468 -1.422,469 8.4,470 0.467,471 0.489,472 0.027,473 23,474 1.278,475 12,476 0.667,477 11,478 0.611,479 12.328,480 0.685,481 19.8,482 0.6,483 15.359,484 0.853,485 4.651,486 0.258,487 3.946,488 0.219,489 0.198,491 0.357,496 0.804,497 1.207,498 0.797,499 1.105,500 0.758,501 0.977,502 0.714,503 1.11,504 0.737,505 0.974,506 0.541,507 0.88,508 1.31,509 1.031,510 1.074,511 0.924,512 1.128,513 0.937,514 0.83,515 1.066,516 0.951,517 1.102,518 1.027,519 1.063,520 1.345,521 1.114,522 1.138,523 1.099,524 1.534,525 1.084,526 0.966,527 0.944,528 1.068,529 0.971,530 0.972,531 1.015,532 1.139,533 0.816,534 0.956,535 0.869,536 1.041,537 0.866,538 1.511,539 1.1,540 1.382,541 1.201,542 1.527,543 1.267,544 4.5,545 0.029,546 1.778,547 1.438,548 1.178,549 0.458,550 0.364,551 0.165,552 0.123,553 0.046,554 2521,555 7353,556 1.963,557 45.5,558 3,559 6,562 1,563 2,564 3,567 1.587,568 1.8,569 3.022,570 -0.28,572 1,573 1,574 1,575 49.804,576 1.509,577 3.553,578 4.393,579 4.635,580 4.635,581 4.635,582 2.53,583 3.725,584 4.136,585 3.119,586 477.18,587 7.024,588 4438.95,590 1,592 1,593 166.465,594 1.53,595 4.076,596 0.237,597 0.014,598 0.068,599 0.055,600 0.051,601 0.025,602 0.026,603 0.015,604 0.015,605 0.009,606 0.517,607 0.67,608 1,609 1.641,610 76.117,611 -0.063,612 -0.074,613 0.019,614 -0.016,615 -0.105,616 0.011,617 0.131,618 -0.055,619 0.161,620 0.052,621 0.111,622 0.101,623 -0.228,624 0.027,625 -0.126,626 0.043,627 -0.174,628 -0.008,629 0.13,630 -0.046,631 -0.005,632 -0.129,633 0.07,634 -0.107,635 -0.184,636 -0.162,637 -0.149,638 -0.139,639 -0.192,640 -0.139,641 0.179,642 0.025,643 -0.051,644 -0.056,645 0.178,646 -0.084,647 -0.103,648 0.104,649 0.067,650 0.062,651 -0.036,652 0.101,653 -0.275,654 -0.179,655 -0.399,656 -0.222,657 -0.241,658 -0.321,659 2.004,660 4.37,661 0.556,662 12.914,663 1.008,664 1.122,665 1.95,666 3.802,667 0.658,668 2.996,669 3.296,670 3.497,671 3.761,672 3.97,673 3.989,674 4.025,675 4.025,676 4.007,677 3.555,678 4.753,679 0.632,680 245.3,681 2.996,682 4.511,683 5.333,684 6.205,685 7.052,686 7.931,687 8.79,688 9.673,689 10.539,690 11.422,691 3,701 1,708 2,709 4,710 1,714 3,716 11,734 1,738 33,739 12,740 1,741 19,743 34,744 14,745 9,746 3,747 3,752 2,753 3,759 2,766 1,768 10,769 4,772 1,778 1,782 1,786 1,789 15,790 4,791 1,792 4,797 1,803 0.5,804 3,816 1,823 2,827 1,841 1,855 1,859 2,862 18,868 1,869 2,872 1,886 9.1,888 1,889 1,891 1,893 10,894 6.567,895 4.056,896 2.053,898 2.431,899 1.393,900 0.917,901 3.703,902 8.62,903 3.277,904 3.902,905 4.472,906 5.111,907 5.712,908 6.016,909 6.371,910 6.692,911 6.997,912 6.57,913 0.833,914 26,915 6.648,917 2.757,918 7.972,919 12.421,921 9.73,924 2.472,925 44.5,926 0.001,929 164.795,930 80.533,931 16.786,933 78.828,936 80.533,937 243.624,938 16.786,939 17.65,940 7.127,941 37.905,942 91.805,943 21.659,945 164.795,947 164.795,948 97.319,949 78.828,952 129.482,953 114.141,956 29.678,957 50.855,958 16.786,960 164.795,961 95.614,962 80.533,965 164.795,966 24.978,967 55.555,969 95.614,970 164.795,971 95.614,972 80.533,973 0.572,974 0.321,975 0.178,976 0.097,977 12,978 6,979 0.118,980 4,981 1,982 1.2,983 2.978,984 123.327,985 0.2,986 10,987 75.059,993 12.685,994 5.255,995 2.933,996 1.377,997 95.614,998 7.131,999 4.339,1003 1.711,1005 42.683,1006 340.942,1007 25.5,1013 11.37,1017 -0.337,1020 33.269,1021 37.033,1022 0.299,1023 0.704,1024 0.871,1025 0.919,1026 0.919,1027 0.919,1028 4.486,1029 0.167,1030 5.323,1031 1.673,1032 3.97,1033 4.585,1034 2.482,1035 6.107,1036 3.908,1037 5.711,1038 -0.281,1039 6.866,1040 0.402,1041 3.611,1042 4.543,1043 2.243,1044 6.934,1045 3.537,1046 7.028,1047 -0.49,1048 8.505,1049 -0.605,1050 5.533,1051 6.861,1052 3.934,1053 10.02,1054 5.423,1055 8.38,1056 -0.629,1057 10.197,1058 -1.056,1059 5.916,1060 7.594,1061 4.356,1062 11.65,1063 5.79,1064 9.759,1065 -0.779,1066 11.924,1067 -1.369,1068 7.363,1069 9.448,1070 5.606,1071 14.273,1072 7.211,1073 11.16,1074 -1.125,1075 13.677,1076 -2.266,1077 8.116,1078 10.572,1079 6.296,1080 16.283,1081 7.941,1082 12.579,1083 -1.366,1084 15.45,1085 -2.869,1086 9.363,1087 12.229,1088 7.363,1089 18.727,1090 9.167,1091 3.084,1092 -1.584,1093 17.24,1094 -3.497,1095 10.305,1096 13.553,1097 8.171,1098 20.913,1099 10.084,1100 2.522,1101 10.189,1102 19.043,1103 -4.005,1104 11.47,1105 15.123,1106 9.157,1107 23.284,1108 11.228,1109 2.228,1110 7.299,1111 20.859,1112 4.492,1113 12.505,1114 16.544,1115 10.02,1116 25.547,1117 12.237,1118 1.976,1119 5.953,1120 22.684,1121 3.264,1122 13.639,1123 18.074,1124 10.968,1125 27.889,1126 13.349,1127 1.888,1128 5.741,1129 24.517,1130 2.905,1131 14.72,1132 19.54,1133 11.856,1134 30.184,1135 14.403,1136 1.059,1137 5.276,1138 26.358,1139 2.769,1140 15.843,1141 21.054,1142 12.786,1143 32.514,1144 15.504,1145 0.968,1146 2.623,1147 28.204,1148 2.527,1149 16.946,1150 22.54,1151 13.687,1152 34.824,1153 16.58,1154 2639,1155 4589,1156 12.137,1157 21.699,1158 28.069,1159 29.01,1160 29.024,1161 27.78,1162 27.786,1163 37.361,1164 5.928,1165 78.309,1166 26.858,1167 5.383,1168 5.715,1169 6.276,1170 5.103,1171 5.084,1172 7.492,1173 4.241,1174 17.083,1175 5.009,1176 10.112,1177 1.477,1178 1.527,1179 1.528,1180 1.462,1181 1.462,1182 1.966,1183 0.312,1184 4.122,1185 1.414,1186 4.082,1187 4.104,1188 4.047,1189 4.011,1190 7.432,1191 4.016,1192 3.671,1193 3.696,1194 3.591,1195 3.524,1196 6.47,1197 3.531,1198 3.499,1199 3.554,1200 3.378,1201 3.304,1202 4.91,1203 3.311,1204 3.271,1205 3.322,1206 3.104,1207 3.094,1208 4.471,1209 3.088,1210 3.104,1211 3.165,1212 2.975,1213 2.955,1214 4.358,1215 2.948,1216 2.857,1217 2.903,1218 2.726,1219 2.638,1220 3.822,1221 2.652,1222 2.587,1223 2.649,1224 2.427,1225 2.321,1226 3.677,1227 2.334,1228 2.498,1229 2.599,1230 2.236,1231 2.23,1232 3.59,1233 2.228,1234 0.239,1235 0.196,1236 0.342,1237 0.214,1238 0.162,1239 4.544,1240 0.236,1241 3.715,1242 0.131,1243 6.504,1244 0.536,1245 4.06,1246 0.158,1247 3.084,1248 4.492,1249 2.491,1250 10.189,1251 3.009,1252 2.043,1253 2.023,1254 2.116,1255 2.13,1256 1.252,1257 2.126,1258 1.621,1259 1.59,1260 1.825,1261 1.818,1262 0.966,1263 1.814,1264 1.473,1265 1.413,1266 1.752,1267 1.682,1268 0.908,1269 1.709,1270 1.245,1271 1.195,1272 1.518,1273 1.471,1274 0.645,1275 1.482,1276 1.098,1277 1.04,1278 1.344,1279 1.306,1280 0.399,1281 1.323,1282 0.79,1283 0.741,1284 1.062,1285 1.061,1286 0.124,1287 1.048,1288 0.506,1289 0.437,1290 0.987,1291 0.869,1292 0.099,1293 0.906,1294 0.492,1295 0.399,1296 0.772,1297 0.812,1299 0.806,1300 3.664,1302 4.963,1304 6.46,1306 8.061,1308 9.72,1310 3.706,1314 9.927,1315 0.419,1318 4.856,1326 20.853,1327 49.804,1328 117.246,1329 144.955,1330 152.955,1331 152.955,1332 152.955,1333 32.508,1334 6.188,1335 59.42,1336 59.42,1337 12,1338 11.959,1339 3.7,1340 2.907,1341 31.016,1342 52,1343 56,1344 0.315,1345 131.495,1346 225.77,1347 312.608,1348 3107,1350 13.121,1351 0.729,1352 0.58,1353 13.121,1354 10.435,1355 8.597,1356 0.452,1357 0.308,1358 5.77,1359 8.244,1360 5.563,1361 4.645,1362 8.597,1363 5.847,1364 7.786,1365 0.299,1366 0.159,1367 7.786,1368 4.135,1369 5.9,1370 0.184,1371 0.082,1372 5.9,1373 2.626,1374 5.074,1375 0.121,1376 0.043,1377 5.074,1378 1.826,1379 3.9,1380 0.075,1381 0.023,1382 3.9,1383 1.211,1384 0.481,1385 54.051,1386 0.287,1387 17.998,1388 0.899,1389 90,1390 299.266,1391 100.025,1392 283.709,1393 378.45,1394 264,1395 103,1396 269.938,1397 111.477,1398 271.401,1399 393.56,1400 255,1401 4.065}
{0 CHEMBL1412954,1 1.508,2 10.13,3 2.942,4 8.655,5 85.347,6 7.784,7 0.5,8 3.764,9 3.861,10 3.348,11 3.327,12 4.981,13 3.314,14 4.248,15 4.387,16 3.651,17 3.643,18 5.501,19 3.61,20 4.477,21 4.655,22 3.721,23 3.702,24 5.767,25 3.671,26 4.457,27 4.623,28 3.668,29 3.593,30 5.826,31 3.587,32 4.406,33 4.568,34 3.621,35 3.535,36 5.839,37 3.534,38 4.338,39 4.504,40 3.522,41 3.518,42 5.767,43 3.481,44 4.33,45 4.532,46 3.382,47 3.469,48 5.599,49 3.406,50 4.198,51 4.386,52 3.217,53 3.359,54 5.461,55 3.298,56 0.049,57 0.511,58 7.141,59 3.751,60 8.811,61 4.441,62 0.27,63 0.788,64 13.408,65 6,66 31.548,67 7.394,68 0.379,69 0.956,70 18.804,71 7.078,72 57.64,73 8.825,74 0.462,75 0.9,76 18.868,77 6.481,78 64.985,79 7.574,80 0.482,81 0.812,82 18.39,83 6.453,84 85.108,85 7.362,86 0.477,87 0.788,88 16.682,89 6.195,90 77.474,91 7.445,92 0.373,93 0.776,94 17.435,95 6.353,96 57.76,97 7.905,98 0.375,99 0.676,100 15.302,101 5.398,102 67.938,103 6.399,104 20,105 31,106 0.267,107 0.573,108 0.705,109 0.802,110 0.857,111 0.869,112 3.187,113 0.907,114 -4.09,115 -4.03,116 -3.82,120 45,121 1,122 1,126 1,143 9,144 2,145 1,158 1,159 2,174 11,176 1,177 4,180 1,182 3,185 10,188 1,189 6,194 3,197 5,201 10,204 2,206 1,209 2,213 1,214 9,222 5,226 2,227 7,235 6,240 6,243 1,245 1,247 7,252 2,257 2,260 8,263 1,264 2,269 2,271 8,274 766,275 15.474,276 15.474,277 15.474,278 15.474,279 15.474,280 13.634,281 13.38,282 9.408,283 15.564,284 11.76,285 11.76,286 11.76,287 11.76,288 11.76,289 8.894,290 15.431,291 4.38,292 11.846,293 3.814,294 2.087,295 1.341,296 0.797,297 0.488,298 0.419,299 3.849,305 1,306 1,307 1,308 477,309 3.808,313 170.978,320 1.452,321 32.548,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 50.5,333 233,334 4.346,335 3.732,336 6.457,337 3.987,338 3.001,339 3.946,340 1.907,341 9.975,342 2.952,343 4.139,344 3.599,345 6.018,346 3.797,347 2.779,348 3.67,349 1.797,350 8.539,351 2.826,352 3.656,353 3.545,354 5.24,355 3.347,356 2.344,357 2.852,358 1.338,359 6.437,360 2.337,361 3.388,362 2.625,363 4.764,364 2.971,365 1.986,366 2.629,367 0.149,368 5.119,369 1.938,370 3.251,371 2.196,372 4.303,373 2.794,374 1.774,375 2.502,377 4.182,378 1.801,379 2.858,380 1.717,381 3.878,382 2.407,383 1.414,384 1.998,386 3.192,387 1.402,388 2.639,389 1.539,390 3.593,391 2.208,392 1.238,393 1.671,395 2.846,396 1.194,397 2.535,398 1.323,399 3.445,400 2.017,401 1,402 1.5,404 2.408,405 1.008,406 2.5,407 1.311,408 3.247,409 2,410 1,411 1.473,413 2.136,414 1,415 1.693,416 1.01,417 2.871,418 1.403,419 0.416,420 0.459,422 0.747,423 0.406,424 1.514,425 1,426 2.729,427 1.264,428 0.274,429 0.338,431 0.487,432 0.264,433 1.272,434 0.487,435 2.173,436 0.848,437 -0.179,438 -0.236,440 -0.379,441 -0.181,442 0.751,443 0.349,444 2,445 0.281,446 -0.742,447 -0.996,449 -1.603,450 -0.748,451 0.692,452 -0.307,453 1.866,454 0.23,455 -0.795,456 -1.131,458 -1.916,459 -0.807,460 0.5,461 -0.51,462 1.579,463 0.04,464 -1,465 -1.404,467 -2.347,468 -1,469 10.733,470 0.467,471 0.473,472 0.021,473 30.75,474 1.337,475 17,476 0.739,477 13.75,478 0.598,479 15.067,480 0.655,481 24.667,482 0.617,483 23.414,484 1.018,485 6.433,486 0.28,487 4.681,488 0.204,489 0.14,491 0.28,496 0.647,497 1.146,498 0.739,499 1.061,500 0.549,501 0.941,502 0.658,503 1.146,504 0.84,505 1.09,506 0.59,507 1.025,508 0.993,509 1.1,510 0.915,511 1.016,512 1.019,513 0.954,514 1.463,515 1.01,516 1.116,517 1.014,518 1.449,519 0.985,520 1.559,521 0.941,522 1.044,523 0.937,524 1.32,525 0.889,526 1.133,527 1.022,528 1.066,529 1.047,530 1.039,531 1.042,532 1.179,533 0.927,534 1.024,535 0.947,536 1.21,537 0.958,538 1.519,539 0.859,540 1.214,541 0.832,542 1.621,543 0.939,544 4,545 0.07,546 2.667,547 1.438,548 0.853,549 0.701,550 0.507,551 0.253,552 0.148,553 0.101,554 5408,555 16657,556 1.971,557 42.5,558 3,559 11,562 1,563 2,567 1.657,568 1.84,569 3.33,570 -0.326,571 1,572 1,574 1,575 60.332,576 1.508,577 3.235,578 3.981,579 4.525,580 4.834,581 4.903,582 2.736,583 4.089,584 4.496,585 3.463,586 876.084,587 7.742,588 10265.7,589 1,590 1,591 1,592 1,593 212.877,594 1.41,595 4.449,596 0.167,597 0.005,598 0.086,599 0.045,600 0.029,601 0.025,602 0.02,603 0.012,604 0.008,605 0.006,606 0.403,607 0.33,608 1,609 1.226,610 108.75,611 -0.033,612 -0.039,613 0.02,614 -0.023,615 -0.049,616 0.006,617 0.148,618 -0.105,619 0.022,620 -0.083,621 0.043,622 -0.068,623 0.005,624 -0.086,625 0.043,626 -0.054,627 -0.031,628 -0.005,629 -0.133,630 0.006,631 -0.108,632 -0.086,633 -0.149,634 -0.089,635 -0.125,636 0.003,637 -0.011,638 0.018,639 -0.002,640 0.028,641 0.068,642 -0.051,643 -0.08,644 -0.081,645 0.105,646 -0.105,647 -0.089,648 0.013,649 -0.013,650 0.025,651 -0.08,652 0.019,653 -0.298,654 0.088,655 -0.199,656 0.133,657 -0.275,658 0.012,659 2.318,660 5.145,661 0.522,662 19.161,663 1.012,664 1.116,665 2.858,666 8.166,667 0.673,668 3.219,669 3.466,670 3.664,671 3.807,672 3.951,673 3.829,674 3.807,675 3.714,676 3.714,677 3.738,678 6.025,679 0.652,680 311.36,681 3.219,682 4.71,683 5.517,684 6.351,685 7.179,686 8.018,687 8.852,688 9.694,689 10.531,690 11.374,691 2.5,698 1,709 9,714 3,716 12,721 1,726 1,738 40,739 15,740 2,741 24,743 41,744 18,745 12,746 3,747 9,748 2,752 2,753 2,759 1,766 1,768 15,769 3,772 3,778 3,782 3,785 1,786 1,789 17,790 5,791 1,792 5,797 1,803 1,804 4,823 2,838 1,855 2,859 1,862 23,869 2,871 1,872 1,886 10,889 3,891 1,893 12.5,894 7.417,895 5.333,896 2.424,898 2.235,899 1.351,900 0.939,901 5.927,902 8.61,903 3.526,904 4.025,905 4.505,906 4.952,907 5.397,908 5.302,909 5.467,910 5.394,911 5.511,912 5.828,913 0.857,914 32,915 8.531,917 3.551,918 8.109,919 15.653,921 12.042,924 2.609,925 60,928 1,929 188.338,930 127.396,931 18.011,933 86.435,936 127.396,937 274.772,938 18.011,939 8.825,940 25.138,941 85.286,942 92.464,943 20.128,945 188.338,947 188.338,948 145.406,949 86.435,952 188.338,953 86.435,956 33.963,957 111.444,960 188.338,961 104.445,962 127.396,965 188.338,966 33.284,967 94.111,968 18.011,969 86.435,970 188.338,971 104.445,972 127.396,973 0.562,974 0.327,975 0.165,976 0.089,977 12,978 6,979 0.171,980 7,982 1,983 3.512,984 166.66,986 12,987 100.042,993 16.755,994 8.136,995 4.682,997 104.445,998 15.125,1003 1.069,1005 18.011,1006 420.179,1007 33,1013 35.578,1017 -1.138,1020 40.48,1021 44.658,1022 0.283,1023 0.608,1024 0.748,1025 0.85,1026 0.908,1027 0.921,1028 4.71,1029 1,1030 5.468,1031 2.846,1032 4.143,1033 4.71,1034 2.838,1035 6.205,1036 4.13,1037 5.885,1038 1,1039 6.987,1040 2.408,1041 3.611,1042 4.35,1043 1.593,1044 7.018,1045 3.633,1046 7.16,1047 0.416,1048 8.613,1049 2.136,1050 5.659,1051 6.785,1052 3.818,1053 10.082,1054 5.633,1055 8.471,1056 0.274,1057 10.302,1058 0.747,1059 5.969,1060 7.233,1061 3.032,1062 11.758,1063 5.975,1064 9.813,1065 -0.179,1066 12.033,1067 0.487,1068 7.463,1069 9.144,1070 4.91,1071 14.324,1072 7.43,1073 11.178,1074 -0.742,1075 13.794,1076 -0.379,1077 8.169,1078 9.986,1079 4.409,1080 16.345,1081 8.156,1082 12.561,1083 -0.795,1084 15.575,1085 -1.603,1086 9.427,1087 11.656,1088 6.061,1089 18.735,1090 9.386,1091 3.001,1092 -1,1093 17.372,1094 -1.916,1095 10.326,1096 12.712,1097 5.75,1098 20.903,1099 10.293,1100 2.779,1101 9.975,1102 19.179,1103 -2.347,1104 11.48,1105 14.252,1106 7.249,1107 23.227,1108 11.427,1109 2.344,1110 8.539,1111 20.996,1112 3.946,1113 12.473,1114 15.431,1115 7.068,1116 25.459,1117 12.418,1118 1.986,1119 6.437,1120 22.819,1121 3.67,1122 13.583,1123 16.896,1124 8.457,1125 27.76,1126 13.512,1127 1.774,1128 5.119,1129 24.647,1130 2.852,1131 14.621,1132 18.147,1133 8.374,1134 30.022,1135 14.543,1136 1.414,1137 4.182,1138 26.48,1139 2.629,1140 15.713,1141 19.569,1142 9.679,1143 32.315,1144 15.621,1145 1.238,1146 3.192,1147 28.317,1148 2.502,1149 16.774,1150 20.863,1151 9.674,1152 34.593,1153 16.67,1154 5488,1155 9746,1156 15.603,1157 26.915,1158 34.787,1159 37.089,1160 36.256,1161 34.391,1162 34.452,1163 46.073,1164 10.383,1165 92.137,1166 34.256,1167 5.254,1168 5.732,1169 6.258,1170 5.038,1171 5.001,1172 6.946,1173 3.704,1174 16.682,1175 4.952,1176 11.937,1177 1.449,1178 1.545,1179 1.511,1180 1.433,1181 1.436,1182 1.92,1183 0.433,1184 3.839,1185 1.427,1186 3.967,1187 3.989,1188 3.917,1189 3.882,1190 7.437,1191 3.884,1192 3.903,1193 3.928,1194 3.843,1195 3.838,1196 7.427,1197 3.835,1198 3.614,1199 3.663,1200 3.505,1201 3.43,1202 7.423,1203 3.434,1204 3.482,1205 3.496,1206 3.399,1207 3.265,1208 4.745,1209 3.293,1210 3.174,1211 3.186,1212 3.127,1213 2.98,1214 4.714,1215 3.009,1216 3.083,1217 3.151,1218 2.896,1219 2.843,1220 4.345,1221 2.848,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.05,1227 2.715,1228 2.777,1229 2.839,1230 2.618,1231 2.605,1232 3.834,1233 2.6,1234 0.181,1235 0.156,1236 0.269,1237 0.166,1238 0.125,1239 4.346,1240 0.164,1241 3.732,1242 0.079,1243 6.457,1244 0.416,1245 3.987,1246 0.123,1247 3.001,1248 3.946,1249 1.907,1250 9.975,1251 2.952,1252 1.917,1253 1.896,1254 2.027,1255 2.025,1256 1.107,1257 2.021,1258 1.899,1259 1.875,1260 2.006,1261 1.988,1262 1.091,1263 1.997,1264 1.58,1265 1.524,1266 1.848,1267 1.79,1268 1.001,1269 1.807,1270 1.384,1271 1.364,1272 1.577,1273 1.635,1274 0.71,1275 1.611,1276 1.074,1277 1.059,1278 1.291,1279 1.335,1280 0.298,1281 1.332,1282 1.016,1283 0.948,1284 1.197,1285 1.286,1286 0.232,1287 1.24,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.771,1295 0.71,1296 1.07,1297 0.989,1298 0.155,1299 1.02,1300 3.892,1302 5.153,1304 6.613,1306 8.159,1308 9.748,1310 1.717,1315 -0.047,1317 2.636,1318 5.06,1326 26.095,1327 60.332,1328 129.412,1329 159.228,1330 181.003,1331 193.367,1332 196.122,1333 57.952,1334 6.375,1335 72.47,1336 72.47,1337 12,1338 11.938,1339 4,1340 3.322,1341 45.28,1342 82,1343 77,1344 0.267,1345 165.078,1346 295.84,1347 394.551,1348 4497,1350 16.656,1351 0.724,1352 0.554,1353 16.656,1354 12.743,1355 11.113,1356 0.463,1357 0.302,1358 7.165,1359 10.721,1360 6.988,1361 5.847,1362 11.113,1363 7.257,1364 9.388,1365 0.303,1366 0.155,1367 9.388,1368 4.813,1369 7.633,1370 0.201,1371 0.083,1372 7.633,1373 3.172,1374 5.64,1375 0.128,1376 0.044,1377 5.64,1378 1.925,1379 4.443,1380 0.087,1381 0.024,1382 4.443,1383 1.237,1384 0.42,1385 69.729,1386 0.253,1387 22.804,1388 0.726,1389 110,1390 395.275,1391 122.239,1392 373.457,1393 488.19,1394 346,1395 124,1396 335.617,1397 135.411,1398 337.754,1399 487.67,1400 317,1401 4.329}
{0 CHEMBL1413661,1 1.734,2 7.714,3 4.241,4 17.987,5 80.492,6 10.301,7 0.875,8 3.548,9 3.641,10 3.393,11 3.199,12 4.828,13 3.21,14 4.007,15 4.116,16 3.813,17 3.577,18 5.317,19 3.588,20 4.214,21 4.372,22 3.89,23 3.656,24 5.499,25 3.65,26 4.184,27 4.354,28 3.881,29 3.55,30 5.492,31 3.554,32 4.056,33 4.235,34 3.749,35 3.372,36 5.457,37 3.38,38 3.753,39 3.916,40 3.398,41 3.152,42 5.206,43 3.133,44 3.543,45 3.681,46 3.13,47 3.054,48 4.796,49 2.983,50 3.469,51 3.623,52 3.059,53 2.876,54 4.912,55 2.801,56 0.11,57 0.52,58 1.996,59 1.994,60 5.746,61 1.983,62 0.199,63 0.823,64 3.928,65 3.28,66 8.858,67 3.222,68 0.327,69 0.999,70 8.63,71 4.76,72 29.427,73 4.882,74 0.361,75 0.927,76 10.844,77 4.399,78 26.877,79 4.043,80 0.458,81 0.824,82 11.666,83 3.497,84 38.755,85 2.42,86 0.343,87 0.681,88 6.188,89 2.579,90 24.796,91 2.099,92 0.169,93 0.452,94 6.432,95 2.631,96 15.295,97 2.546,98 0.218,99 0.412,100 6.651,101 2.822,102 21.223,103 3.111,104 5,105 35,106 0.321,107 0.592,108 0.715,109 0.868,110 0.898,111 0.898,112 3.105,113 0.834,114 -5.34,115 -5.23,116 -4.89,120 51.7,143 8,144 2,145 1,147 1,148 1,153 1,162 1,167 2,174 8,176 2,177 5,185 9,188 2,189 10,197 5,201 15,209 2,214 10,222 4,227 4,235 8,247 8,260 7,271 3,274 489,275 14.43,276 14.43,277 14.43,278 14.43,279 14.43,280 11.99,281 3.229,282 8.399,283 14.764,284 11.864,285 11.864,286 11.864,287 11.864,288 11.864,289 8.231,290 1.303,291 3.981,292 12.498,293 3.124,294 1.655,295 0.992,296 0.164,299 3.805,304 1,306 1,307 1,308 361,309 2,312 30.613,313 128.118,316 55.143,317 64.634,320 1.279,321 22.199,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 45.833,333 162,334 4.777,335 3.385,336 6.944,337 4.258,338 3.308,339 4.855,341 11.745,342 3.14,343 4.288,344 3.03,345 6.419,346 3.848,347 2.874,348 4.023,350 9.845,351 2.793,352 3.903,353 2.812,354 5.762,355 3.404,356 2.454,357 3.529,359 7.642,360 2.326,361 3.6,362 2.495,363 5.319,364 3.075,365 2.174,366 3.068,368 6.505,369 1.941,370 3.324,371 2.09,372 4.923,373 2.857,374 1.921,375 2.639,377 5.513,378 1.753,379 2.941,380 1.514,381 4.216,382 2.436,383 1.455,384 2.152,386 3.502,387 1.422,388 2.751,389 1.307,390 3.897,391 2.235,392 1.268,393 1.872,395 3.103,396 1.22,397 2.64,398 1.19,399 3.729,400 2.141,401 1.151,402 1.709,404 2.658,405 1.137,406 2.397,407 1.154,408 3.544,409 1.867,410 0.934,411 1.348,413 2.352,414 0.859,415 2.334,416 0.873,417 3.47,418 1.819,419 0.86,420 1.259,422 2.296,423 0.778,424 1.177,425 0.193,426 2.756,427 0.68,428 -0.205,429 -0.271,431 -0.519,432 -0.154,433 0.987,434 0.145,435 2.603,436 0.48,437 -0.412,438 -0.517,440 -0.927,441 -0.35,442 0.923,443 -0.507,444 2.261,445 0.453,446 -0.512,447 -0.766,449 -1.36,450 -0.493,451 0.651,452 -0.606,453 2,454 0.179,455 -0.776,456 -1.031,458 -2.091,459 -0.652,460 0.562,461 -0.831,462 2,463 0.047,464 -0.886,465 -1.28,467 -2.164,468 -0.827,469 10.1,470 0.481,471 0.521,472 0.025,473 31.75,474 1.512,475 18,476 0.857,477 13.75,478 0.655,479 12.8,480 0.61,481 20.5,482 0.707,483 20.941,484 0.997,485 6.405,486 0.305,487 3.833,488 0.183,489 0.099,491 0.386,494 1,496 0.499,497 0.826,498 0.463,499 0.748,500 0.514,501 0.705,502 0.583,503 1.034,504 0.565,505 0.973,506 0.565,507 0.894,508 0.935,509 1.086,510 0.729,511 0.91,512 0.935,513 0.893,514 1.091,515 1.167,516 1.011,517 0.96,518 0.886,519 0.889,520 1.34,521 0.879,522 1.421,523 0.822,524 1.071,525 0.833,526 0.991,527 0.656,528 1.185,529 0.825,530 0.998,531 0.973,532 1.144,533 0.874,534 1.629,535 1.214,536 1.095,537 1.269,538 0.831,539 1.154,540 1.221,541 1.546,542 1.054,543 1.464,544 3.5,545 0.012,546 2.667,547 1.66,548 1.37,549 0.771,550 0.359,551 0.175,552 0.127,553 0.041,554 4193,555 14324,556 2.185,557 27.6,559 8,567 1.636,568 2.066,569 2.964,570 -0.704,572 1,575 50.278,576 1.734,577 3.203,578 3.866,579 4.694,580 4.858,581 4.858,582 2.453,583 3.975,584 4.365,585 3.066,586 643.892,587 7.499,588 6479,590 1,592 1,593 140.881,594 1.342,595 4.334,596 0.146,597 0.006,598 0.076,599 0.046,600 0.042,601 0.029,602 0.018,603 0.012,604 0.011,605 0.007,606 0.391,607 0.67,608 1,609 0.532,610 92.224,611 0.07,612 0.058,613 0.02,614 0.002,615 -0.038,617 0.079,618 -0.135,619 0.022,620 -0.188,621 0.019,622 -0.143,623 -0.056,624 -0.129,625 0.077,626 0.008,627 -0.058,628 0.03,629 -0.16,630 -0.246,631 0.025,632 -0.032,633 -0.069,634 0.034,635 -0.215,636 0.126,637 -0.19,638 0.111,639 -0.106,640 0.041,641 0.113,642 0.415,643 -0.21,644 0.098,645 0.085,646 -0.112,647 -0.21,649 -0.382,650 -0.186,651 -0.165,652 -0.272,653 0.28,654 -0.194,655 0.01,656 -0.427,657 0.226,658 -0.332,659 2,660 5.39,661 0.905,662 13.728,663 1.031,664 1.121,665 4.113,666 16.916,667 0.762,668 3.219,669 3.584,670 3.932,671 4.277,672 4.543,673 4.673,674 4.836,675 4.99,676 5.043,677 5.05,678 4.68,679 0.754,680 298.72,681 3.219,682 4.779,683 5.666,684 6.578,685 7.485,686 8.404,687 9.319,688 10.242,689 11.161,690 12.086,691 13.8,699 1,701 3,708 3,709 8,710 3,714 4,716 21,737 2,738 29,739 21,740 2,741 24,743 32,744 15,745 15,746 4,747 8,752 4,753 7,754 1,768 15,786 1,787 1,789 8,790 4,792 6,793 1,797 4,803 0.5,817 1,822 1,823 3,826 1,827 1,855 2,860 1,861 1,862 21,883 1,885 2,893 10.167,894 5.502,895 4.5,896 1.707,898 4.314,899 1.586,900 1.075,901 2.709,902 11.679,903 3.57,904 4.301,905 5.037,906 5.765,907 6.407,908 6.884,909 7.431,910 7.956,911 8.373,912 8.727,913 1,914 36,915 7.71,917 3.418,918 7.918,919 14.365,921 12.021,924 2.418,925 50.778,929 94.169,930 100.378,931 51.153,932 39.149,934 14.96,936 100.378,937 133.317,938 66.113,941 75.81,942 51.704,943 18.8,944 59.325,945 94.169,947 94.169,948 151.53,949 14.96,950 39.149,952 109.129,956 5.636,957 95.905,958 49.989,959 39.149,960 109.129,961 51.153,962 139.526,965 94.169,966 24.568,967 76.974,969 104.098,970 94.169,971 66.113,972 139.526,973 0.589,974 0.357,975 0.208,976 0.116,977 20,978 8,979 0.031,980 1,981 2,982 1.211,983 3.303,984 176.939,985 0.211,986 19,987 92.239,993 12.395,994 4.59,995 1.904,996 2.106,997 64.949,998 13.692,999 12.591,1003 1.157,1006 299.808,1007 34.5,1020 29.894,1021 32.523,1022 0.357,1023 0.659,1024 0.796,1025 0.966,1026 1,1027 1,1028 4.798,1029 1.151,1030 5.666,1031 3.103,1032 4.263,1033 4.987,1035 6.541,1036 4.162,1037 6.054,1038 0.934,1039 7.259,1040 2.658,1041 3.892,1042 4.913,1044 7.554,1045 3.686,1046 7.396,1047 0.86,1048 8.956,1049 2.352,1050 5.905,1051 7.376,1053 10.721,1054 5.718,1055 8.781,1056 -0.205,1057 10.715,1058 2.296,1059 6.382,1060 8.18,1062 12.586,1063 6.102,1064 10.201,1065 -0.412,1066 12.514,1067 -0.519,1068 7.867,1069 10.089,1071 15.273,1072 7.589,1073 11.647,1074 -0.512,1075 14.342,1076 -0.927,1077 8.731,1078 11.306,1080 17.476,1081 8.375,1082 13.113,1083 -0.776,1084 16.189,1085 -1.36,1086 10.013,1087 12.997,1089 20.005,1090 9.64,1091 3.308,1092 -0.886,1093 18.051,1094 -2.091,1095 11.053,1096 14.408,1098 22.349,1099 10.612,1100 2.874,1101 11.745,1102 19.925,1103 -2.164,1104 12.262,1105 16.016,1107 24.825,1108 11.788,1109 2.454,1110 9.845,1111 21.808,1112 4.855,1113 13.38,1114 17.515,1116 27.229,1117 12.845,1118 2.174,1119 7.642,1120 23.698,1121 4.023,1122 14.566,1123 19.095,1125 29.688,1126 13.988,1127 1.921,1128 6.505,1129 25.594,1130 3.529,1131 15.72,1132 20.634,1134 32.119,1135 15.084,1136 1.455,1137 5.513,1138 27.495,1139 3.068,1140 16.901,1141 22.207,1143 34.574,1144 16.216,1145 1.268,1146 3.502,1147 29.4,1148 2.639,1149 18.072,1150 23.765,1152 37.019,1153 17.33,1154 3958,1155 7439,1156 16.414,1157 22.102,1158 37.159,1159 37.306,1160 38.113,1161 37.044,1162 36.796,1163 52.907,1165 110.321,1166 34.742,1167 5.431,1168 5.385,1169 6.623,1170 5.331,1171 5.308,1172 7.855,1174 19.414,1175 5.14,1176 7.751,1177 1.548,1178 1.554,1179 1.588,1180 1.543,1181 1.533,1182 2.204,1184 4.597,1185 1.448,1186 4.189,1187 4.234,1188 4.221,1189 4.055,1190 8.201,1191 4.075,1192 3.892,1193 3.917,1194 3.863,1195 3.831,1196 5.261,1197 3.83,1198 3.615,1199 3.667,1200 3.597,1201 3.453,1202 4.835,1203 3.477,1204 3.185,1205 3.223,1206 3.544,1207 3.064,1208 4.604,1209 3.063,1210 2.938,1211 2.988,1212 2.884,1213 2.81,1214 4.551,1215 2.812,1216 2.89,1217 2.951,1218 2.779,1219 2.733,1220 3.961,1221 2.733,1222 2.685,1223 2.762,1224 2.668,1225 2.523,1226 3.75,1227 2.521,1228 2.546,1229 2.612,1230 2.529,1231 2.366,1232 3.609,1233 2.376,1234 0.199,1235 0.141,1236 0.289,1237 0.177,1238 0.138,1239 4.777,1240 0.202,1241 3.385,1243 6.944,1244 0.489,1245 4.258,1246 0.131,1247 3.308,1248 4.855,1250 11.745,1251 3.14,1252 2.044,1253 2.018,1254 2.096,1255 2.165,1256 1.237,1257 2.145,1258 1.888,1259 1.864,1260 1.984,1261 1.975,1262 1.073,1263 1.978,1264 1.433,1265 1.391,1266 1.516,1267 1.599,1268 0.601,1269 1.586,1270 1.123,1271 1.061,1272 1.225,1273 1.435,1274 0.3,1275 1.364,1276 1.04,1277 1.001,1278 1.193,1279 1.166,1280 0.259,1281 1.183,1282 0.859,1283 0.804,1284 1.094,1285 1.068,1286 0.133,1287 1.076,1288 0.627,1289 0.554,1290 0.849,1291 0.884,1293 0.894,1294 0.558,1295 0.495,1296 0.716,1297 0.734,1299 0.76,1300 3.892,1302 5.242,1303 2.398,1304 6.804,1305 4.727,1306 8.466,1307 6.862,1308 10.182,1311 6.23,1312 13.39,1326 21.877,1327 50.278,1328 92.881,1329 112.127,1330 136.127,1331 140.881,1332 140.881,1333 28.428,1334 7.365,1335 43.08,1336 43.08,1337 23,1338 12.592,1339 4.459,1340 3.524,1341 27.879,1342 59,1343 54,1344 0.243,1345 135.444,1346 216.54,1347 322.243,1348 14416,1349 6.9,1350 14.397,1351 0.686,1352 0.544,1353 14.027,1354 11.42,1355 10.237,1356 0.427,1357 0.278,1358 6.236,1359 9.57,1360 6.116,1361 5.03,1362 10.132,1363 6.673,1364 9.426,1365 0.269,1366 0.142,1367 9.163,1368 4.962,1369 8.315,1370 0.166,1371 0.072,1372 8.32,1373 3.591,1374 7.497,1375 0.106,1376 0.036,1377 7.533,1378 2.588,1379 6.227,1380 0.067,1381 0.019,1382 6.378,1383 1.753,1384 0.362,1385 67.319,1386 0.247,1387 20.218,1388 0.723,1389 118,1390 412.895,1391 146.354,1392 410.385,1393 556.49,1394 382,1395 144,1396 403.529,1397 169.056,1398 410.518,1399 607.51,1400 387,1401 4.866}
{0 CHEMBL1413680,1 2.161,2 7.133,3 1.725,4 2.975,5 58.956,6 12.647,7 0.688,8 3.147,9 3.205,10 3.269,11 2.837,12 4.577,13 2.784,14 3.522,15 3.589,16 3.764,17 3.162,18 5.154,19 3.081,20 3.464,21 3.548,22 3.541,23 3.053,24 4.876,25 2.946,26 3.347,27 3.43,28 3.28,29 2.772,30 4.953,31 2.715,32 3.034,33 3.116,34 3.137,35 2.617,36 4.425,37 2.564,38 3.039,39 3.168,40 2.751,41 2.438,42 4.405,43 2.42,44 2.945,45 3.09,46 2.489,47 2.034,48 4.648,49 2.128,50 2.722,51 2.891,52 2.107,53 1.517,54 4.454,55 1.713,56 0.14,57 0.353,58 0.662,59 1.492,60 10.552,61 0.982,62 0.246,63 0.552,64 4.328,65 2.947,66 40.067,67 1.221,68 0.185,69 0.477,70 6.07,71 3.38,72 23.085,73 1.937,74 0.239,75 0.409,76 7.204,77 2.962,78 35.706,79 1.668,80 0.105,81 0.306,82 3.886,83 2.07,84 14.77,85 1.189,86 0.137,87 0.305,88 3.874,89 1.728,90 15.072,91 1.032,92 0.182,93 0.221,94 1.474,95 1.153,96 17.069,97 1.015,98 0.206,99 0.151,100 2.821,101 1.175,102 26.472,103 0.713,104 6,105 21,106 0.452,107 0.704,108 0.844,109 0.866,110 0.866,111 0.866,112 2.793,113 1.018,114 -1.88,115 -1.94,116 -1.94,120 36.8,143 1,146 2,148 1,149 1,154 1,163 1,167 2,176 2,177 6,185 2,188 1,189 2,200 3,201 4,209 1,214 2,226 2,227 2,239 2,240 2,251 1,263 2,274 213,275 10.069,276 10.069,277 10.069,278 10.069,279 10.069,280 8.419,281 8.447,282 6.146,283 10.729,284 7.917,285 7.917,286 7.917,287 7.917,288 7.917,289 5.552,290 8.437,291 2.954,292 9.072,293 2.087,294 0.882,295 0.211,296 0.105,297 0.105,298 0.105,299 3.441,307 1,308 222,309 2.345,312 40.962,313 49.232,320 1.093,321 18.951,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 34,333 107,334 4.312,335 4.555,336 6.007,337 3.73,338 2.872,339 4.02,340 2.95,341 8.623,342 2.489,343 3.935,344 3.778,345 5.504,346 3.421,347 2.537,348 3.473,349 2.612,350 7.348,351 2.225,352 3.609,353 3.11,354 4.977,355 2.963,356 2.091,357 3.071,359 5.806,360 1.789,361 2.923,362 2.011,363 3.717,364 2.339,365 1.446,366 2.085,368 3.101,369 1.281,370 2.666,371 1.711,372 3.528,373 2,374 1.08,375 1.668,377 2.586,378 0.976,379 2.5,380 1,381 3.253,382 1.941,383 1,384 1.5,386 2.136,387 0.939,388 2.176,389 1,390 3.247,391 1.488,392 0.66,393 1,395 1.607,396 0.537,397 1.176,398 0.81,399 2.695,400 0.7,401 -0.116,402 -0.146,404 -0.305,405 -0.093,406 1,407 0.564,408 1.789,410 -0.901,411 -1.19,413 -2,414 -0.761,415 0.5,416 0.19,417 1.608,418 -0.027,419 -1,420 -1.5,422 -2.168,423 -0.923,424 0.49,425 -0.903,426 1.555,427 -0.077,428 -1,429 -1.69,431 -2.347,432 -1,433 0.121,434 -1,435 1.233,436 -0.383,437 -1.275,438 -2,440 -3.639,441 -1.126,442 -0.117,443 -1.109,444 1,445 -0.698,446 -1.55,447 -2.065,449 -4.469,450 -1.264,451 -0.5,452 -1.656,453 0.939,454 -1.028,455 -1.885,456 -2.58,457 -0.612,458 -4.789,459 -1.468,460 -0.531,461 -1.76,462 0.751,463 -1.068,464 -1.96,465 -2.647,466 -2,467 -5.574,468 -1.728,469 7.433,470 0.496,471 0.332,472 0.022,473 23.75,474 1.583,475 13.5,476 0.9,477 10.25,478 0.683,479 7.653,480 0.51,481 15.367,482 0.809,483 12.54,484 0.836,485 4.51,486 0.301,487 2.744,488 0.183,489 0.09,491 0.256,496 0.463,497 1.05,498 0.721,499 0.688,500 0.514,501 0.701,502 0.658,503 1.072,504 0.775,505 0.887,506 0.48,507 0.773,508 0.843,509 1.038,510 1.36,511 1.335,512 0.739,513 1.146,514 1.039,515 1.078,516 1.496,517 1.4,518 1.198,519 1.213,520 0.695,521 1.317,522 1.069,523 1.32,524 0.61,525 1.028,526 0.825,527 0.909,528 1.189,529 1.136,530 0.693,531 1.28,532 0.938,533 1.152,534 0.402,535 0.723,536 0.939,537 1.255,538 2.465,539 0.428,540 0.576,541 0.372,542 2.473,543 0.629,544 3,546 1.111,547 0.785,548 0.561,549 0.167,550 0.232,551 0.109,552 0.054,553 0.031,554 1683,555 8203,556 2.032,557 21.1,559 1,561 3,567 1.525,568 1.915,569 2.891,570 -0.456,575 41.059,576 2.161,577 3.366,578 4.037,579 4.143,580 4.143,581 4.143,582 2.289,583 3.374,584 3.88,585 2.973,586 312.119,587 6.476,588 2583.94,590 1,593 80.711,594 1.338,595 3.843,596 0.188,598 0.053,599 0.046,600 0.04,601 0.014,602 0.023,603 0.014,604 0.011,605 0.016,606 0.404,607 0.67,608 1,609 0.909,610 59.332,611 0.172,612 -0.048,613 -0.011,614 0.114,615 -0.01,616 0.002,617 0.081,618 -0.023,619 0.213,620 0.124,621 0.192,622 0.05,623 -0.074,624 -0.036,625 -0.135,626 -0.166,627 -0.022,628 -0.099,629 -0.009,630 -0.113,631 -0.322,632 -0.261,633 -0.104,634 -0.181,635 0.006,636 -0.336,637 0.013,638 -0.28,639 -0.011,640 -0.051,641 -0.074,642 0.056,643 -0.358,644 -0.32,645 -0.091,646 -0.347,647 0.191,648 -0.386,649 0.148,650 -0.173,651 0.181,652 -0.299,653 -0.766,654 0.297,655 0.165,656 0.355,657 -0.476,658 0.538,659 2.457,660 3.408,661 0.733,662 8.907,663 1.064,664 1.119,665 0.653,666 0.426,667 0.801,668 2.833,669 3.091,670 3.258,671 3.434,672 3.497,673 3.401,674 3.367,675 3.367,676 3.219,677 3.045,678 4.376,679 0.784,680 240.29,681 2.833,682 4.317,683 5.118,684 5.953,685 6.774,686 7.613,687 8.442,688 9.283,689 10.115,690 10.956,691 21.1,701 3,702 1,709 4,710 3,713 1,714 3,716 11,731 1,738 19,739 13,741 16,743 20,744 7,745 7,752 2,753 2,768 7,772 2,775 1,778 2,789 4,790 5,792 8,793 2,797 4,803 1,804 2,817 1,822 1,823 1,855 2,856 1,857 2,862 15,873 1,879 1,886 10.5,892 2,893 7.833,894 3.55,895 3.361,896 0.928,898 2.202,899 1.389,900 0.951,901 3.113,902 7.861,903 3.199,904 3.778,905 4.243,906 4.747,907 5.069,908 5.138,909 5.29,910 5.686,911 5.922,912 6.124,913 0.8,914 17,915 5.445,916 -0.001,917 2.259,918 8.278,919 9.824,921 7.493,924 2.778,925 41.667,926 0.001,929 47.084,930 101.738,931 56.027,933 50.747,935 63.497,936 38.241,937 97.831,938 56.027,939 5.67,941 9.476,942 85.67,943 27.643,944 1.122,945 75.268,946 50.747,947 47.084,948 94.268,949 50.747,950 63.497,952 47.084,954 50.747,956 27.643,957 10.598,958 56.027,959 63.497,960 47.084,961 106.774,962 101.738,965 47.084,966 65.549,967 41.86,969 101.104,970 47.084,971 106.774,972 101.738,973 0.569,974 0.313,975 0.159,976 0.082,977 10,978 4,979 0.15,980 3,982 1,983 2.819,984 91.786,986 11,987 56.603,989 2,993 10.302,994 4.532,995 2.626,997 101.104,998 5.994,999 11.66,1002 1.028,1003 1.348,1006 255.596,1007 23.5,1010 -0.457,1013 20.816,1020 20.215,1021 21.252,1022 0.509,1023 0.792,1024 0.95,1025 0.975,1026 0.975,1027 0.975,1028 4.366,1029 -0.116,1030 5.069,1031 1.607,1032 3.761,1033 4.46,1034 3.388,1035 5.778,1036 3.498,1037 5.565,1038 -0.901,1039 6.564,1040 -0.305,1041 3.219,1042 4.182,1043 2.361,1044 6.457,1045 2.81,1046 6.851,1047 -1,1048 8.156,1049 -2,1050 5.252,1051 6.624,1052 5.372,1053 9.481,1054 4.706,1055 8.173,1056 -1,1057 9.803,1058 -2.168,1059 5.525,1060 7.178,1061 4.506,1062 10.976,1063 4.806,1064 9.524,1065 -1.275,1066 11.486,1067 -2.347,1068 7.013,1069 9.045,1070 7.439,1071 13.464,1072 6.187,1073 10.896,1074 -1.55,1075 13.192,1076 -3.639,1077 7.663,1078 9.984,1079 6.556,1080 15.298,1081 6.656,1082 12.282,1083 -1.885,1084 14.915,1085 -4.469,1086 8.911,1087 11.603,1088 9.539,1089 17.583,1090 7.804,1091 2.872,1092 -1.96,1093 16.649,1094 -4.789,1095 9.75,1096 12.738,1097 8.548,1098 19.575,1099 8.462,1100 2.537,1101 8.623,1102 18.391,1103 -5.574,1104 10.886,1105 14.239,1106 11.658,1107 21.776,1108 9.493,1109 2.091,1110 7.348,1111 20.14,1112 4.02,1113 11.823,1114 15.482,1115 10.509,1116 23.845,1117 10.255,1118 1.446,1119 5.806,1120 21.895,1121 3.473,1122 12.907,1123 16.923,1124 13.789,1125 26.012,1126 11.225,1127 1.08,1128 3.101,1129 23.653,1130 3.071,1131 13.895,1132 18.227,1133 12.452,1134 28.12,1135 12.045,1136 1,1137 2.586,1138 25.415,1139 2.085,1140 14.956,1141 19.639,1142 15.928,1143 30.273,1144 12.983,1145 0.66,1146 2.136,1147 27.18,1148 1.668,1149 15.97,1150 20.978,1151 14.386,1152 32.4,1153 13.837,1154 1726,1155 3943,1156 10.633,1157 15.227,1158 23.679,1159 25.65,1160 23.853,1161 23.43,1162 23.373,1163 33.633,1164 11.125,1165 62.411,1166 20.471,1167 5.073,1168 6.555,1169 5.809,1170 4.932,1171 4.872,1172 7.02,1173 5.9,1174 14.537,1175 4.361,1176 6.325,1177 1.48,1178 1.603,1179 1.491,1180 1.464,1181 1.461,1182 2.102,1183 0.695,1184 3.901,1185 1.279,1186 3.935,1187 3.949,1188 4.341,1189 3.883,1190 7.815,1191 3.804,1192 3.781,1193 3.829,1194 3.856,1195 3.623,1196 6.999,1197 3.625,1198 3.351,1199 3.365,1200 3.502,1201 2.952,1202 5.006,1203 3.006,1204 2.793,1205 2.868,1206 3.121,1207 2.625,1208 4.765,1209 2.626,1210 2.712,1211 2.76,1212 2.628,1213 2.553,1214 3.93,1215 2.542,1216 2.271,1217 2.317,1218 2.596,1219 2.225,1220 3.736,1221 2.137,1222 1.866,1223 1.853,1224 2.21,1225 1.837,1226 3.151,1227 1.735,1228 1.492,1229 1.668,1230 1.565,1231 1.226,1232 3.075,1233 1.125,1234 0.27,1235 0.285,1236 0.375,1237 0.233,1238 0.18,1239 4.312,1240 0.251,1241 4.555,1242 0.184,1243 6.007,1244 0.539,1245 3.73,1246 0.156,1247 2.872,1248 4.02,1249 2.95,1250 8.623,1251 2.489,1252 1.73,1253 1.692,1254 1.802,1255 1.913,1256 0.805,1257 1.885,1258 1.527,1259 1.516,1260 1.529,1261 1.898,1262 0.594,1263 1.797,1264 1.196,1265 1.186,1266 1.063,1267 1.365,1268 0.28,1269 1.349,1270 0.771,1271 0.715,1272 1.049,1273 1.002,1274 0.019,1275 1.03,1276 0.715,1277 0.681,1278 0.727,1279 0.921,1281 0.979,1282 0.494,1283 0.454,1284 0.518,1285 0.693,1287 0.71,1290 0.072,1293 0.067,1300 3.497,1302 4.762,1303 2.398,1304 6.205,1305 4.595,1306 7.72,1307 6.581,1308 9.272,1319 1.278,1326 14.889,1327 41.059,1328 63.956,1329 76.711,1330 78.711,1331 78.711,1332 78.711,1333 20.452,1334 5.659,1335 84.49,1336 138.03,1337 11,1338 11.522,1339 3.807,1340 3.087,1341 23.732,1342 39,1343 31,1344 0.31,1345 102.997,1346 165.9,1347 243.073,1348 1625,1350 10.673,1351 0.712,1352 0.591,1353 11.38,1354 8.864,1355 7.254,1356 0.453,1357 0.339,1358 3.846,1359 5.999,1360 3.654,1361 3.038,1362 8.071,1363 5.429,1364 6.423,1365 0.306,1366 0.221,1367 7.859,1368 4.648,1369 4.916,1370 0.197,1371 0.135,1372 6.563,1373 3.373,1374 3.827,1375 0.128,1376 0.082,1377 5.487,1378 2.466,1379 2.759,1380 0.086,1381 0.05,1382 4.325,1383 1.608,1384 0.476,1385 54.996,1386 0.307,1387 15.387,1388 0.864,1389 74,1390 331.772,1391 144.112,1392 356.577,1393 467.03,1394 328,1395 83,1396 304.893,1397 136.821,1398 333.417,1399 479.48,1400 309,1401 5.385}
{0 CHEMBL1414079,1 1.944,2 10.885,3 5.34,4 28.516,5 110.035,6 11.88,7 0.429,8 3.808,9 3.873,10 3.774,11 3.476,12 4.962,13 3.44,14 4.34,15 4.448,16 4.23,17 3.866,18 5.543,19 3.811,20 4.578,21 4.715,22 4.448,23 4.05,24 5.754,25 3.942,26 4.536,27 4.665,28 4.392,29 3.998,30 5.827,31 3.854,32 4.393,33 4.513,34 4.584,35 3.873,36 5.799,37 3.75,38 4.288,39 4.437,40 4.182,41 3.783,42 5.413,43 3.661,44 4.336,45 4.501,46 4.455,47 3.831,48 5.416,49 3.645,50 4.11,51 4.24,52 4.267,53 3.526,54 5.381,55 3.369,56 0.116,57 0.466,58 0.285,59 3.075,60 9.11,61 3.426,62 0.434,63 0.823,64 6.028,65 5.971,66 28.957,67 5.858,68 0.594,69 1.009,70 23.442,71 9.336,72 38.939,73 9.139,74 0.621,75 0.991,76 31.285,77 10.759,78 63.583,79 9.736,80 0.606,81 0.842,82 40.593,83 9.869,84 64.329,85 8.25,86 0.358,87 0.734,88 9.039,89 6.86,90 34.451,91 7.567,92 0.419,93 0.722,94 50.406,95 9.412,96 31.428,97 9.609,98 0.527,99 0.551,100 52.235,101 7.866,102 41.132,103 6.518,104 26,105 39,106 0.344,107 0.655,108 0.768,109 0.846,110 0.854,111 0.854,112 3.304,113 1.045,114 -5.21,115 -5.1,116 -4.78,118 1,120 45,126 4,143 6,144 2,145 4,159 2,174 5,176 1,177 4,185 9,188 1,189 7,197 9,201 7,209 2,214 9,222 5,226 1,227 3,235 6,240 1,247 9,251 1,252 2,260 8,263 1,264 1,271 2,274 976,275 17.206,276 17.206,277 17.206,278 17.206,279 17.206,280 15.442,281 17.863,282 10.082,283 17.999,284 13.767,285 13.767,286 13.767,287 13.767,288 13.767,289 11.039,290 16.45,291 4.775,292 15.21,293 3.378,294 1.625,295 0.988,296 0.55,297 0.5,298 0.5,299 3.981,303 2,306 1,307 1,308 600,309 3.24,313 285.027,320 1.911,321 31.127,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 55.917,333 283,334 4.394,335 3.894,336 6.44,337 3.992,338 3.053,339 4.024,340 1.674,341 9.876,342 2.855,343 4.311,344 3.734,345 6.402,346 3.916,347 2.973,348 3.94,349 1.26,350 9.72,351 2.785,352 3.987,353 3.172,354 6.01,355 3.598,356 2.703,357 3.322,358 0.86,359 8.515,360 2.382,361 3.577,362 2.99,363 5.213,364 3.139,365 2.221,366 2.904,367 0.305,368 6.295,369 2.014,370 3.319,371 2.731,372 5.007,373 3.012,374 2.1,375 2.499,377 5.856,378 1.867,379 3.217,380 2.61,381 4.813,382 2.731,383 1.866,384 2.372,386 5.086,387 1.482,388 2.83,389 2.027,390 4.204,391 2.357,392 1.481,393 1.959,395 3.754,396 1.281,397 2.698,398 1.98,399 3.886,400 2.324,401 1.428,402 1.684,404 3.283,405 1.185,406 2.535,407 1.942,408 3.773,409 2.029,410 1.038,411 1.49,413 2.682,414 1.018,415 2.119,416 1.411,417 3.353,418 1.952,419 1,420 1,422 2.136,423 0.946,424 2,425 1.256,426 3.247,427 1.633,428 0.761,429 0.961,431 1.871,432 0.648,433 1.489,434 0.872,435 2.888,436 1.009,437 0.185,438 0.224,440 0.431,441 0.125,442 1.357,443 0.841,444 2.431,445 0.812,446 0.023,447 0.028,449 0.05,450 0.014,451 0.792,452 0.276,453 2.372,454 0.266,455 -0.579,456 -0.72,458 -1.496,459 -0.368,460 0.697,461 -0.037,462 2.348,463 0.21,464 -0.736,465 -0.794,467 -1.609,468 -0.493,469 13.995,470 0.538,471 0.72,472 0.028,473 32,474 1.231,475 15.5,476 0.596,477 16.5,478 0.635,479 24.411,480 0.939,481 26.805,482 0.67,483 22.162,484 0.852,485 6.211,486 0.239,487 6.241,488 0.24,489 0.281,491 0.314,496 0.719,497 1.155,498 0.467,499 0.701,500 0.566,501 0.75,502 0.979,503 0.995,504 0.568,505 0.641,506 0.604,507 0.733,508 1.064,509 0.886,510 0.89,511 0.842,512 0.814,513 0.88,514 1.033,515 1.11,516 1.079,517 1.247,518 1.214,519 1.07,520 0.764,521 1.099,522 1.053,523 1.244,524 1.165,525 0.979,526 0.74,527 0.95,528 0.88,529 0.797,530 0.932,531 0.941,532 0.853,533 0.957,534 2.002,535 1.167,536 0.59,537 1.081,538 1.369,539 0.904,540 2.28,541 1.427,542 0.959,543 1.169,544 5.5,545 0.124,546 3.556,547 2.063,548 1.698,549 0.799,550 0.567,551 0.377,552 0.242,553 0.171,554 8022,555 31454,556 2.014,557 35,559 14,567 1.688,568 1.857,569 3.414,570 -0.684,575 77.761,576 1.944,577 3.696,578 4.334,579 4.772,580 4.822,581 4.822,582 2.917,583 3.979,584 4.673,585 3.596,586 1168.75,587 8.082,588 14766.3,593 212.877,594 1.502,595 4.615,596 0.196,597 0.007,598 0.091,599 0.05,600 0.047,601 0.023,602 0.02,603 0.014,604 0.012,605 0.011,606 0.472,607 0.17,608 0.88,609 0.638,610 128.079,611 -0.045,612 -0.171,614 -0.053,615 -0.037,616 -0.026,617 -0.058,618 0.045,619 0.019,620 0.114,621 0.065,622 0.074,623 -0.101,624 0.12,625 -0.019,626 0.077,627 -0.011,628 0.054,629 -0.041,630 -0.073,631 -0.097,632 -0.127,633 -0.024,634 -0.07,635 0.229,636 -0.075,637 0.123,638 -0.101,639 0.182,640 0.019,641 0.034,642 -0.033,643 0.063,644 0.079,645 -0.051,646 0.026,647 -0.025,648 -0.081,649 -0.062,650 0.006,651 0.026,652 0.036,653 -0.111,654 0.006,655 -0.174,656 -0.155,657 0.01,658 -0.096,659 2.248,660 5.371,661 0.692,662 23.846,663 1.028,664 1.102,665 3.984,666 15.87,667 0.779,668 3.367,669 3.689,670 3.932,671 4.127,672 4.331,673 4.248,674 4.331,675 4.357,676 4.407,677 4.477,678 6.546,679 0.731,680 475.2,681 3.367,682 4.905,683 5.746,684 6.613,685 7.47,686 8.338,687 9.2,688 10.068,689 10.934,690 11.802,691 2.5,698 1,709 6,714 6,716 12,726 1,737 3,738 40,739 14,740 2,741 28,742 1,743 42,744 18,745 12,746 6,747 6,748 2,752 3,753 3,754 2,768 14,769 4,772 2,778 1,779 1,782 2,789 14,790 4,792 8,793 4,797 1,803 1,804 3,823 3,854 1,855 3,857 1,858 1,860 2,862 26,869 4,872 2,875 1,885 3,886 7.5,889 1,890 1,891 1,893 14,894 7.295,895 5.722,896 2.329,898 2.228,899 1.318,900 0.972,901 6.8,902 9.225,903 3.611,904 4.174,905 4.696,906 5.172,907 5.667,908 5.725,909 5.966,910 6.119,911 6.357,912 6.669,913 1,914 41,915 9.588,917 4.057,918 7.884,919 17.971,921 14.447,924 2.384,925 61.972,929 164.795,930 145.021,931 49.078,932 78.297,933 47.145,935 45.192,936 145.783,937 290.237,938 3.124,940 16.52,941 56.857,942 44.049,943 32.671,945 164.795,946 169.443,947 164.795,948 102.954,949 47.145,950 123.489,951 45.954,952 164.795,953 36.145,954 11,956 16.52,957 86.433,958 78.297,959 91.146,960 164.795,961 50.269,962 269.273,965 164.795,966 42.972,967 59.982,968 45.954,969 170.634,970 164.795,971 50.269,972 269.273,973 0.586,974 0.345,975 0.178,976 0.098,977 18,978 9,979 0.095,980 4,982 1,983 3.752,984 211.782,986 18,987 118.211,990 1,993 19.892,994 8.888,995 4.911,997 50.269,998 9.993,1003 2.761,1006 484.337,1007 36,1013 12.371,1014 5.549,1017 0.159,1020 41.105,1021 44.098,1022 0.365,1023 0.695,1024 0.814,1025 0.897,1026 0.906,1027 0.906,1028 4.852,1029 1.428,1030 5.74,1031 3.754,1032 4.369,1033 4.86,1034 2.424,1035 6.538,1036 4.177,1037 6.053,1038 1.038,1039 7.302,1040 3.283,1041 4.007,1042 4.718,1043 0.325,1044 7.42,1045 3.646,1046 7.359,1047 1,1048 8.963,1049 2.682,1050 5.958,1051 7.001,1052 3.101,1053 10.502,1054 5.627,1055 8.697,1056 0.761,1057 10.681,1058 2.136,1059 6.382,1060 7.635,1061 0.705,1062 12.174,1063 5.901,1064 10.065,1065 0.185,1066 12.434,1067 1.871,1068 7.828,1069 9.434,1070 3.959,1071 14.773,1072 7.364,1073 11.454,1074 0.023,1075 14.212,1076 0.431,1077 8.608,1078 10.422,1079 1.142,1080 16.774,1081 8.02,1082 12.859,1083 -0.579,1084 16.006,1085 0.05,1086 9.849,1087 12.016,1088 4.905,1089 19.188,1090 9.252,1091 3.053,1092 -0.736,1093 17.813,1094 -1.496,1095 10.797,1096 13.182,1097 1.622,1098 21.335,1099 10.099,1100 2.973,1101 9.876,1102 19.629,1103 -1.609,1104 11.952,1105 14.678,1106 5.893,1107 23.671,1108 11.224,1109 2.703,1110 9.72,1111 21.452,1112 4.024,1113 12.979,1114 15.938,1115 2.125,1116 25.886,1117 12.165,1118 2.221,1119 8.515,1120 23.281,1121 3.94,1122 14.099,1123 17.383,1124 6.903,1125 28.189,1126 13.241,1127 2.1,1128 6.295,1129 25.115,1130 3.322,1131 15.163,1132 18.696,1133 2.636,1134 30.436,1135 14.229,1136 1.866,1137 5.856,1138 26.952,1139 2.904,1140 16.269,1141 20.112,1142 7.922,1143 32.724,1144 15.283,1145 1.481,1146 5.086,1147 28.793,1148 2.499,1149 17.351,1150 21.455,1151 3.147,1152 34.987,1153 16.296,1154 7820,1155 15650,1156 18.205,1157 31.176,1158 42.237,1159 45.51,1160 43.613,1161 42.043,1162 41.664,1163 52.815,1164 8.2,1165 119.111,1166 37.204,1167 5.394,1168 5.894,1169 6.242,1170 5.095,1171 5.053,1172 7.024,1173 3.349,1174 16.737,1175 4.855,1176 14.33,1177 1.508,1178 1.625,1179 1.558,1180 1.502,1181 1.488,1182 1.886,1183 0.293,1184 4.254,1185 1.329,1186 3.979,1187 3.99,1188 6.88,1189 3.931,1190 7.433,1191 3.916,1192 3.889,1193 3.905,1194 4.098,1195 3.856,1196 5.002,1197 3.84,1198 3.739,1199 3.782,1200 4.011,1201 3.558,1202 4.902,1203 3.557,1204 3.302,1205 3.284,1206 3.653,1207 3.194,1208 4.674,1209 3.151,1210 3.111,1211 3.206,1212 3.616,1213 3.018,1214 4.657,1215 2.998,1216 3.102,1217 3.105,1218 3.464,1219 2.941,1220 4.541,1221 2.91,1222 2.902,1223 2.918,1224 3.234,1225 2.854,1226 4.082,1227 2.812,1228 2.87,1229 2.915,1230 2.866,1231 2.84,1232 3.905,1233 2.782,1234 0.157,1235 0.139,1236 0.23,1237 0.143,1238 0.109,1239 4.394,1240 0.144,1241 3.894,1242 0.06,1243 6.44,1244 0.353,1245 3.992,1246 0.102,1247 3.053,1248 4.024,1249 1.674,1250 9.876,1251 2.855,1252 1.917,1253 1.908,1254 1.967,1255 2.006,1256 1.213,1257 2.008,1258 1.87,1259 1.857,1260 1.925,1261 1.949,1262 1.078,1263 1.953,1264 1.676,1265 1.625,1266 1.867,1267 1.872,1268 1.051,1269 1.88,1270 1.166,1271 1.177,1272 1.513,1273 1.391,1274 0.825,1275 1.429,1276 1.153,1277 1.064,1278 1.237,1279 1.376,1280 0.331,1281 1.34,1282 1.015,1283 1.014,1284 1.144,1285 1.187,1286 0.236,1287 1.188,1288 0.872,1289 0.83,1290 1.066,1291 1.003,1292 0.185,1293 1.05,1294 0.848,1295 0.827,1296 0.977,1297 0.975,1298 0.106,1299 1.01,1300 4.043,1302 5.361,1304 6.876,1306 8.476,1308 10.116,1309 3.434,1311 11.967,1315 2.857,1318 10.786,1321 2.095,1326 29.248,1327 77.761,1328 147.858,1329 173.367,1330 190.877,1331 192.877,1332 192.877,1333 51.514,1334 6.998,1335 38.77,1336 70.86,1337 18,1338 12.347,1339 3.907,1340 3.17,1341 44.495,1342 103,1343 94,1344 0.213,1345 196.327,1346 345.54,1347 470.797,1348 9774,1349 7.5,1350 18.681,1351 0.719,1352 0.67,1353 21.181,1354 17.421,1355 12.452,1356 0.445,1357 0.348,1358 7.827,1359 10.651,1360 7.538,1361 6.126,1362 13.896,1363 9.75,1364 11.34,1365 0.291,1366 0.196,1367 13.194,1368 7.648,1369 9.45,1370 0.189,1371 0.11,1372 11.249,1373 5.506,1374 7.395,1375 0.121,1376 0.059,1377 8.853,1378 3.61,1379 6.061,1380 0.081,1381 0.034,1382 7.783,1383 2.539,1384 0.337,1385 95.292,1386 0.234,1387 25.28,1388 0.577,1389 134,1390 462.773,1391 256.102,1392 555.775,1393 708.06,1394 514,1395 156,1396 416.193,1397 236.867,1398 458.296,1399 674.82,1400 430,1401 4.162}
{0 CHEMBL1414311,1 1.922,2 6.353,3 2.419,4 5.85,5 65.912,6 10.844,7 0.333,8 3.363,9 3.438,10 3.236,11 2.952,12 4.643,13 2.959,14 3.823,15 3.932,16 3.636,17 3.28,18 5.119,19 3.281,20 3.981,21 4.091,22 4.025,23 3.367,24 5.517,25 3.375,26 3.906,27 4.045,28 3.75,29 3.218,30 5.386,31 3.231,32 3.832,33 3.959,34 3.478,35 3.199,36 5.259,37 3.154,38 3.73,39 3.839,40 3.296,41 3.091,42 5.096,43 2.998,44 3.487,45 3.624,46 2.825,47 2.751,48 4.772,49 2.597,50 3.086,51 3.346,52 1.888,53 2.211,54 3.965,55 1.936,56 0.132,57 0.342,58 1.389,59 1.894,60 6.286,61 1.899,62 0.337,63 0.506,64 5.239,65 3.223,66 19.312,67 3.119,68 0.521,69 0.559,70 12.196,71 3.814,72 39.138,73 3.618,74 0.457,75 0.518,76 8.61,77 3.438,78 33.383,79 3.086,80 0.439,81 0.442,82 10.344,83 3.611,84 35.704,85 3.242,86 0.387,87 0.343,88 12.062,89 3.755,90 33.39,91 3.369,92 0.355,93 0.252,94 10.44,95 3.114,96 36.316,97 2.745,98 0.204,99 0.177,100 10.331,101 2.476,102 16.484,103 3.121,104 18,105 25,106 0.384,107 0.673,108 0.728,109 0.805,110 0.827,111 0.827,112 2.91,113 0.914,114 -4.55,115 -4.47,116 -4.21,120 44,125 1,139 2,143 5,145 1,159 2,167 1,174 4,176 2,177 2,185 4,188 2,189 8,197 3,201 9,213 1,214 5,222 2,227 3,235 4,240 1,247 3,260 1,274 296,275 11.336,276 11.336,277 11.336,278 11.336,279 11.336,280 9.959,281 12.193,282 6.591,283 11.776,284 8.747,285 8.747,286 8.747,287 8.747,288 8.747,289 6.683,290 16.144,291 2.995,292 9.515,293 2.722,294 1.279,295 1.005,296 0.62,297 0.51,298 0.51,299 3.555,303 2,306 1,307 1,308 220,309 2,313 105.648,320 0.962,321 21.528,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 37.667,333 108,334 4.53,335 3.871,336 6.763,337 4.132,338 3.204,339 3.997,340 1.23,341 10.902,342 2.964,343 3.993,344 3.239,345 6.129,346 3.57,347 2.653,348 3.484,349 1.058,350 8.723,351 2.39,352 3.58,353 2.85,354 5.497,355 3.142,356 2.206,357 2.777,359 6.722,360 2.035,361 3.275,362 2.423,363 4.77,364 2.764,365 1.834,366 2.467,368 4.907,369 1.654,370 2.777,371 1.825,372 3.743,373 2.243,374 1.283,375 1.832,377 2.918,378 1.186,379 2.5,380 1.713,381 3.363,382 2,383 1,384 1.5,386 2.136,387 1,388 1.944,389 1.237,390 3.247,391 1.621,392 0.75,393 0.815,395 1.525,396 0.619,397 1.544,398 1,399 3.071,400 1.071,401 0.29,402 0.341,404 0.653,405 0.17,406 1.361,407 0.782,408 2.561,409 0.829,415 0.629,416 -0.148,417 2.141,418 0.217,419 -0.718,420 -0.862,422 -1.58,423 -0.626,424 0.5,425 -0.426,426 1.576,428 -1,429 -1.445,431 -2.347,432 -0.788,433 0.187,434 -0.663,435 1.555,436 -0.156,437 -1.103,438 -1.5,440 -2.763,441 -1,443 -1,444 1.473,445 -0.544,446 -1.313,447 -1.511,449 -3.319,450 -1.036,451 -0.159,452 -1.01,453 1.224,454 -0.728,455 -1.478,456 -1.679,458 -4.332,459 -1.285,460 -0.5,461 -1.269,462 1.199,463 -0.858,464 -1.718,465 -2.15,467 -4.789,468 -1.583,469 8.395,470 0.494,471 0.439,472 0.026,473 22,474 1.294,475 11,476 0.647,477 11,478 0.647,479 11.668,480 0.686,481 18.005,482 0.72,483 14.728,484 0.866,485 4.664,486 0.274,487 3.483,488 0.205,489 0.269,491 0.345,496 0.67,497 1.21,498 0.474,499 0.843,500 0.58,501 0.786,502 0.908,503 1.202,504 0.586,505 0.68,506 0.736,507 0.693,508 0.567,509 1.209,510 0.588,511 0.948,512 0.686,513 0.794,514 0.822,515 1.039,516 0.693,517 0.931,518 0.847,519 0.807,520 1.248,521 0.782,522 1.183,523 0.902,524 1.318,525 0.963,526 1.596,527 0.932,528 1.695,529 1.339,530 1.534,531 1.375,532 1.771,533 0.898,534 1.838,535 1.353,536 2.005,537 1.56,538 0.826,539 0.811,540 1.495,541 1.328,542 0.605,543 1.456,544 3,546 2.444,547 1.5,548 1.267,549 0.618,550 0.244,551 0.118,552 0.041,554 1962,555 8322,556 1.96,557 32,559 8,567 1.577,568 1.789,569 2.724,570 -0.634,574 1,575 48.043,576 1.922,577 3.365,578 3.639,579 4.023,580 4.134,581 4.134,582 2.162,583 3.455,584 4.061,585 2.783,586 378.427,587 6.901,588 3367.78,590 1,592 1,593 116.096,594 1.549,595 3.989,596 0.167,598 0.098,599 0.054,600 0.055,601 0.033,602 0.017,603 0.017,604 0.02,606 0.46,607 0.67,608 1,609 0.972,610 68.537,611 -0.015,612 -0.096,613 0.008,614 -0.085,615 -0.074,616 -0.049,617 -0.039,618 -0.135,619 0.065,620 0.159,621 -0.067,622 0.126,623 0.403,624 -0.147,625 0.343,626 -0.062,627 0.288,628 0.045,629 0.139,630 0.038,631 0.158,632 -0.05,633 0.159,634 0.064,635 -0.203,636 0.192,637 -0.218,638 0.052,639 -0.102,640 -0.05,641 -0.447,642 -0.112,643 -0.471,644 -0.287,645 -0.317,646 -0.398,647 -0.542,648 -0.136,649 -0.546,650 -0.244,651 -0.59,652 -0.503,653 -0.018,654 -0.082,655 -0.155,656 -0.132,657 -0.002,658 -0.068,659 2.149,660 4.887,661 0.706,662 9.495,663 1.042,664 1.119,665 3.316,666 10.998,667 0.747,668 2.944,669 3.258,670 3.555,671 3.738,672 3.932,673 3.892,674 3.807,675 3.638,676 3.434,677 3.135,678 4.011,679 0.729,680 271.11,681 2.944,682 4.466,683 5.323,684 6.196,685 7.074,686 7.956,687 8.839,688 9.725,689 10.61,690 11.497,691 8,698 1,700 1,709 5,714 1,716 6,738 25,739 9,740 1,741 18,743 26,744 11,745 6,746 1,747 5,748 4,749 2,752 2,753 2,754 2,768 10,769 1,771 2,772 3,778 1,781 1,782 4,786 1,789 8,790 4,792 6,793 2,797 2,803 1,804 2,823 2,845 2,854 1,855 2,859 1,860 2,862 17,872 1,875 1,885 2,886 8,889 1,891 1,893 9.5,894 4.936,895 3.889,896 1.31,898 1.863,899 1.313,900 0.948,901 3.593,902 7.811,903 3.219,904 3.773,905 4.314,906 4.763,907 5.224,908 5.317,909 5.55,910 5.786,911 5.909,912 5.973,913 1,914 28,915 6.22,917 2.608,918 8.092,919 11.299,921 8.695,924 2.592,925 44.056,926 0.001,929 94.169,930 77.542,931 19.665,932 78.297,933 36.145,936 77.542,937 208.611,938 19.665,939 10.883,940 3.002,941 47.381,942 41.665,943 30.42,945 94.169,946 78.297,947 94.169,948 97.206,949 36.145,950 78.297,952 94.169,953 36.145,956 19.665,957 70.54,958 85.299,960 94.169,961 55.81,962 155.839,965 94.169,966 19.277,967 61.266,969 131.105,970 94.169,971 55.81,972 155.839,973 0.579,974 0.366,975 0.19,976 0.101,977 12,978 6,979 0.077,980 2,982 1,983 2.795,984 117.83,986 12,987 65.487,993 12.267,994 4.979,995 2.256,997 55.81,998 8.885,1003 0.592,1006 305.817,1007 24,1013 11.887,1016 3.987,1017 -0.461,1020 26.04,1021 27.964,1022 0.414,1023 0.725,1024 0.784,1025 0.866,1026 0.89,1027 0.89,1028 4.449,1029 0.29,1030 5.323,1031 1.525,1032 3.932,1033 4.454,1034 1.835,1035 6.168,1036 3.768,1037 5.664,1039 6.919,1040 0.653,1041 3.611,1042 4.227,1044 7.168,1045 3.291,1046 6.983,1047 -0.718,1048 8.621,1050 5.557,1051 6.589,1052 2.091,1053 10.296,1054 5.247,1055 8.341,1056 -1,1057 10.382,1058 -1.58,1059 6.066,1060 7.151,1062 12.077,1063 5.583,1064 9.729,1065 -1.103,1066 12.179,1067 -2.347,1068 7.501,1069 8.994,1070 2.374,1071 14.746,1072 7.03,1073 11.14,1074 -1.313,1075 14,1076 -2.763,1077 8.369,1078 9.927,1080 16.845,1081 7.75,1082 12.568,1083 -1.478,1084 15.837,1085 -3.319,1086 9.619,1087 11.542,1088 2.684,1089 19.348,1090 8.983,1091 3.204,1092 -1.718,1093 17.685,1094 -4.332,1095 10.647,1096 12.671,1098 21.594,1099 9.891,1100 2.653,1101 10.902,1102 19.543,1103 -4.789,1104 11.831,1105 14.172,1106 3.016,1107 24.029,1108 11.033,1109 2.206,1110 8.723,1111 21.408,1112 3.997,1113 12.93,1114 15.409,1116 26.345,1117 12.032,1118 1.834,1119 6.722,1120 23.279,1121 3.484,1122 14.092,1123 16.851,1124 3.367,1125 28.751,1126 13.137,1127 1.283,1128 4.907,1129 25.155,1130 2.777,1131 15.223,1132 18.148,1134 31.102,1135 14.179,1136 1,1137 2.918,1138 27.034,1139 2.467,1140 16.38,1141 19.56,1142 3.733,1143 33.496,1144 15.27,1145 0.75,1146 2.136,1147 28.918,1148 1.832,1149 17.526,1150 20.892,1152 35.865,1153 16.334,1154 2066,1155 4375,1156 11.444,1157 18.682,1158 27.004,1159 28.939,1160 28.719,1161 26.598,1162 26.442,1163 34.425,1164 4.577,1165 76.972,1166 24.037,1167 5.36,1168 5.871,1169 6.565,1170 5.169,1171 5.204,1172 6.997,1173 2.461,1174 18.504,1175 4.964,1176 9.185,1177 1.5,1178 1.608,1179 1.595,1180 1.478,1181 1.469,1182 1.913,1183 0.254,1184 4.276,1185 1.335,1186 3.952,1187 3.983,1188 4.112,1189 3.85,1190 7.428,1191 3.854,1192 3.734,1193 3.748,1194 3.803,1195 3.632,1196 5.048,1197 3.638,1198 3.272,1199 3.32,1200 3.39,1201 2.974,1202 4.754,1203 2.998,1204 2.969,1205 3.005,1206 3.267,1207 2.82,1208 4.638,1209 2.827,1210 2.854,1211 2.925,1212 3.036,1213 2.735,1214 4.407,1215 2.715,1216 2.817,1217 2.846,1218 2.687,1219 2.571,1220 4.12,1221 2.591,1222 2.554,1223 2.595,1224 2.648,1225 2.336,1226 3.674,1227 2.355,1228 1.786,1229 1.802,1230 2.556,1231 1.673,1232 3.548,1233 1.586,1234 0.252,1235 0.215,1236 0.376,1237 0.23,1238 0.178,1239 4.53,1240 0.222,1241 3.871,1242 0.068,1243 6.763,1244 0.606,1245 4.132,1246 0.165,1247 3.204,1248 3.997,1249 1.23,1250 10.902,1251 2.964,1252 1.899,1253 1.87,1254 2.01,1255 2.018,1256 1.073,1257 2.012,1258 1.642,1259 1.636,1260 1.662,1261 1.803,1262 0.728,1263 1.779,1264 1.188,1265 1.123,1266 1.5,1267 1.503,1268 0.555,1269 1.511,1270 0.902,1271 0.859,1272 1.181,1273 1.062,1274 0.218,1275 1.107,1276 0.886,1277 0.821,1278 1.072,1279 1.055,1280 0.19,1281 1.071,1282 0.669,1283 0.649,1284 0.694,1285 0.965,1287 0.895,1288 0.412,1289 0.372,1290 0.423,1291 0.667,1293 0.657,1296 0.381,1297 0.133,1299 0.23,1300 3.611,1302 4.92,1304 6.457,1306 8.093,1308 9.781,1310 1.407,1311 11.657,1318 4.956,1321 1.146,1326 18.235,1327 48.043,1328 84.122,1329 90.977,1330 100.587,1331 103.342,1332 103.342,1333 29.248,1334 5.948,1335 44.12,1336 44.12,1337 12,1338 12.028,1339 3.322,1340 2.807,1341 28.162,1342 40,1343 38,1344 0.364,1345 122.182,1346 217.4,1347 289.884,1348 2146,1349 8,1350 12.414,1351 0.73,1352 0.61,1353 13.414,1354 10.365,1355 8.147,1356 0.453,1357 0.305,1358 4.695,1359 7.262,1360 4.513,1361 3.755,1362 8.724,1363 5.482,1364 7.043,1365 0.282,1366 0.158,1367 7.71,1368 3.946,1369 6.432,1370 0.189,1371 0.087,1372 7.54,1373 2.944,1374 4.799,1375 0.117,1376 0.041,1377 5.397,1378 1.692,1379 3.668,1380 0.073,1381 0.021,1382 4.043,1383 1.044,1384 0.533,1385 57.872,1386 0.296,1387 16.647,1388 1.117,1389 86,1390 333.168,1391 127.044,1392 374.609,1393 483.06,1394 346,1395 102,1396 304.778,1397 146.446,1398 325.503,1399 480.2,1400 303,1401 5.005}
{0 CHEMBL1414738,1 1.629,2 11.077,3 3.631,4 13.184,5 98.45,6 7.964,7 0.643,8 3.898,9 4.005,10 3.496,11 3.421,12 5.176,13 3.425,14 4.319,15 4.469,16 3.841,17 3.761,18 5.555,19 3.753,20 4.547,21 4.705,22 3.943,23 3.855,24 5.847,25 3.851,26 4.651,27 4.84,28 3.831,29 3.778,30 6.007,31 3.745,32 4.553,33 4.795,34 3.64,35 3.676,36 5.683,37 3.623,38 4.419,39 4.645,40 3.587,41 3.613,42 5.585,43 3.56,44 4.387,45 4.599,46 3.469,47 3.58,48 5.586,49 3.505,50 4.337,51 4.593,52 3.37,53 3.512,54 5.36,55 3.426,56 0.139,57 0.646,58 8.175,59 3.762,60 17.909,61 4.389,62 0.163,63 0.976,64 13.354,65 5.843,66 19.124,67 7.419,68 0.269,69 1.164,70 17.666,71 6.661,72 32.525,73 8.31,74 0.675,75 1.186,76 22.512,77 7.168,78 93.28,79 9.208,80 0.475,81 1.128,82 21.353,83 6.072,84 53.303,85 8.604,86 0.379,87 0.981,88 18.016,89 5.76,90 42.072,91 8.055,92 0.442,93 0.93,94 17.228,95 5.717,96 48.918,97 7.69,98 0.279,99 0.85,100 17.821,101 6.093,102 37.59,103 8.602,104 26,105 39,106 0.281,107 0.629,108 0.742,109 0.861,110 0.903,111 0.903,112 3.304,113 0.847,114 -3.81,115 -3.77,116 -3.58,120 43.2,121 2,143 7,144 3,145 3,147 1,148 1,150 1,156 1,170 1,174 7,176 1,177 6,180 1,182 7,185 8,188 1,189 4,194 7,197 5,201 7,204 4,205 1,206 6,209 3,213 1,214 6,218 1,219 3,222 3,227 2,230 1,231 1,232 5,235 5,240 5,243 2,244 1,245 2,247 6,252 3,260 4,264 2,267 2,269 4,271 7,274 1008,275 17.206,276 17.206,277 17.206,278 17.206,279 17.206,280 14.625,281 13.444,282 10.063,283 17.489,284 13.763,285 13.763,286 13.763,287 13.763,288 13.763,289 10.051,290 10.575,291 4.75,292 14.28,293 3.83,294 1.805,295 1.152,296 0.461,297 0.216,298 0.216,299 3.982,305 1,306 1,307 1,308 610,309 2.739,313 269.483,320 1.544,321 31.183,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 57,333 288,334 4.429,335 3.257,336 6.508,337 4.024,338 3.05,339 4.136,341 10.055,342 2.967,343 4.403,344 3.112,345 6.471,346 3.996,347 3.034,348 4.09,350 9.907,351 2.918,352 3.98,353 2.752,354 5.575,355 3.548,356 2.59,357 3.562,359 7.562,360 2.477,361 3.632,362 2.518,363 5.516,364 3.235,365 2.266,366 2.983,368 6.857,369 2.191,370 3.334,371 2.24,372 4.938,373 2.948,374 2.009,375 2.592,377 5.615,378 1.883,379 3.239,380 2.024,381 4.739,382 2.819,383 1.859,384 2.509,386 5.128,387 1.781,388 3.064,389 1.949,390 4.535,391 2.632,392 1.669,393 2.262,395 4.368,396 1.6,397 2.861,398 1.524,399 3.879,400 2.392,401 1.414,402 2.016,404 3.103,405 1.377,406 2.724,407 1.501,408 3.582,409 2.128,410 1.169,411 1.682,413 2.739,414 1.118,415 2.547,416 1.071,417 3.516,418 2.015,419 1.043,420 1.556,422 2.53,423 1.011,424 1.502,425 0.914,426 2.983,427 1.268,428 0.329,429 0.36,431 0.766,432 0.305,433 1.445,434 0.448,435 2.776,436 1.198,437 0.253,438 0.296,440 0.561,441 0.237,442 1.171,443 0.123,444 2.66,445 0.785,446 -0.153,447 -0.192,449 -0.351,450 -0.142,451 1.121,452 0.039,453 2.492,454 0.621,455 -0.297,456 -0.402,458 -0.748,459 -0.271,460 0.895,461 -0.133,462 2.194,463 0.527,464 -0.435,465 -0.545,467 -1.063,468 -0.417,469 12.1,470 0.465,471 0.72,472 0.028,473 37.75,474 1.452,475 21.5,476 0.827,477 16.25,478 0.625,479 17.656,480 0.679,481 27.5,482 0.625,483 28.39,484 1.092,485 7.734,486 0.297,487 4.718,488 0.181,489 0.165,491 0.372,496 0.995,497 1.06,498 0.801,499 0.902,500 1.059,501 0.833,502 0.659,503 1.146,504 0.686,505 1.024,506 0.613,507 0.887,508 1.099,509 1.304,510 0.972,511 1.181,512 0.993,513 1.063,514 1.251,515 1.212,516 1.151,517 1.073,518 1.292,519 1.1,520 1.049,521 0.97,522 1.07,523 0.831,524 0.876,525 0.905,526 0.852,527 1.004,528 0.958,529 0.901,530 0.716,531 0.923,532 0.974,533 0.98,534 1.192,535 1.002,536 0.941,537 1.11,538 0.748,539 0.819,540 0.814,541 0.818,542 0.693,543 0.818,544 5.5,545 0.182,546 3.333,547 2.188,548 1.4,549 0.847,550 0.406,551 0.259,552 0.259,553 0.222,554 8118,555 24662,556 2.014,557 40.9,558 3,559 7,561 1,562 4,563 3,567 1.688,568 1.857,569 3.424,570 1.735,572 1,575 71.691,576 1.629,577 3.654,578 4.308,579 4.999,580 5.243,581 5.243,582 2.841,583 4.547,584 4.677,585 3.594,586 1167.95,587 8.086,588 15007.1,590 1,592 1,593 240.215,594 1.502,595 4.615,596 0.196,597 0.009,598 0.085,599 0.053,600 0.041,601 0.029,602 0.014,603 0.011,604 0.011,605 0.01,606 0.46,607 0.17,608 1,609 0.638,610 128.571,611 -0.128,612 0.079,613 -0.018,614 0.117,615 -0.215,616 0.074,617 0.048,618 -0.042,619 0.141,620 -0.016,621 0.036,622 0.062,623 -0.12,624 -0.219,625 -0.085,626 -0.222,627 -0.056,628 -0.155,629 0.019,630 -0.213,631 -0.151,632 -0.143,633 -0.008,634 -0.189,635 -0.128,636 0.083,637 -0.065,638 0.065,639 -0.101,640 0.031,641 -0.001,642 0.03,643 0.016,644 0.037,645 0.027,646 0.037,647 -0.027,648 0.044,649 -0.226,650 -0.056,651 -0.065,652 -0.161,653 -0.012,654 0.11,655 0.198,656 0.178,657 0.017,658 0.23,659 1.704,660 4.011,661 0.692,662 22,663 1.013,664 1.126,665 2.579,666 6.651,667 0.675,668 3.367,669 3.689,670 3.932,671 4.127,672 4.29,673 4.277,674 4.248,675 4.304,676 4.344,677 4.419,678 6.62,679 0.657,680 350.41,681 3.367,682 4.905,683 5.746,684 6.613,685 7.467,686 8.337,687 9.194,688 10.065,689 10.923,690 11.794,691 9.1,696 1,700 1,701 2,709 7,710 2,714 9,716 18,734 3,738 44,739 19,740 2,741 28,743 46,744 19,745 16,746 6,747 6,748 1,752 3,753 3,755 1,759 2,768 17,769 2,772 1,780 1,781 1,785 1,786 1,789 18,790 7,791 4,792 7,797 4,803 1,804 3,817 1,823 3,855 3,859 2,862 26,868 3,871 1,886 6.8,888 3,893 14,894 8.367,895 5.722,896 2.369,898 3.882,899 1.549,900 0.919,901 5.166,902 10.957,903 3.664,904 4.297,905 4.869,906 5.421,907 5.937,908 6.113,909 6.372,910 6.725,911 7.043,912 7.414,913 1,914 41,915 9.545,917 4.037,918 7.981,919 17.632,921 13.93,924 2.481,925 64.5,928 1,929 164.795,930 110.001,931 68.122,933 128.05,936 110.001,937 292.845,938 68.122,939 17.65,941 66.334,942 200.328,943 31.304,944 2.328,945 153.024,947 164.795,948 178.123,949 128.05,952 167.123,953 128.05,956 37.07,957 78.218,958 60.507,960 164.795,961 196.172,962 110.001,965 164.795,966 16.969,967 93.032,968 17.888,969 178.284,970 164.795,971 196.172,972 110.001,973 0.586,974 0.346,975 0.177,976 0.091,977 18,978 9,979 0.087,980 4,982 1,983 3.77,984 209.988,986 18,987 122.211,993 17.862,994 7.519,995 4.014,997 196.172,998 11.578,999 8.687,1003 2.973,1005 145.938,1006 470.969,1007 38,1015 1.429,1016 4.072,1020 44.574,1021 49.528,1022 0.298,1023 0.669,1024 0.789,1025 0.916,1026 0.96,1027 0.96,1028 4.887,1029 1.414,1030 5.74,1031 4.368,1032 4.369,1033 4.984,1035 6.538,1036 4.294,1037 6.118,1038 1.169,1039 7.302,1040 3.103,1041 4.007,1042 4.808,1044 7.416,1045 3.882,1046 7.431,1047 1.043,1048 8.963,1049 2.739,1050 5.958,1051 7.205,1053 10.506,1054 5.816,1055 8.779,1056 0.329,1057 10.681,1058 2.53,1059 6.382,1060 7.803,1062 12.181,1063 6.189,1064 10.155,1065 0.253,1066 12.435,1067 0.766,1068 7.828,1069 9.689,1071 14.797,1072 7.619,1073 11.552,1074 -0.153,1075 14.214,1076 0.561,1077 8.616,1078 10.668,1080 16.811,1081 8.362,1082 12.965,1083 -0.297,1084 16.011,1085 -0.351,1086 9.859,1087 12.321,1089 19.248,1090 9.585,1091 3.05,1092 -0.435,1093 17.822,1094 -0.748,1095 10.819,1096 13.5,1098 21.415,1099 10.504,1100 3.034,1101 10.055,1102 19.644,1103 -1.063,1104 11.979,1105 15.036,1107 23.777,1108 11.64,1109 2.59,1110 9.907,1111 21.474,1112 4.136,1113 13.018,1114 16.322,1116 26.015,1117 12.642,1118 2.266,1119 7.562,1120 23.311,1121 4.09,1122 14.146,1123 17.797,1125 28.343,1126 13.742,1127 2.009,1128 6.857,1129 25.153,1130 3.562,1131 15.221,1132 19.14,1134 30.614,1135 14.783,1136 1.859,1137 5.615,1138 27,1139 2.983,1140 16.336,1141 20.584,1143 32.927,1144 15.868,1145 1.669,1146 5.128,1147 28.851,1148 2.592,1149 17.429,1150 21.958,1152 35.214,1153 16.928,1154 7928,1155 13943,1156 18.205,1157 29.716,1158 41.751,1159 42.129,1160 43.197,1161 41.437,1162 41.373,1163 56.091,1165 118.38,1166 39.732,1167 5.152,1168 5.257,1169 6.193,1170 5.097,1171 5.05,1172 7.136,1174 17.18,1175 4.967,1176 14.738,1177 1.491,1178 1.505,1179 1.543,1180 1.48,1181 1.478,1182 2.003,1184 4.228,1185 1.419,1186 3.998,1187 4.032,1188 3.96,1189 3.899,1190 6.491,1191 3.908,1192 3.93,1193 3.948,1194 3.889,1195 3.855,1196 6.469,1197 3.86,1198 3.752,1199 3.794,1200 3.692,1201 3.627,1202 6.446,1203 3.639,1204 3.373,1205 3.451,1206 3.291,1207 3.163,1208 5.014,1209 3.178,1210 3.155,1211 3.244,1212 2.976,1213 2.97,1214 4.72,1215 2.962,1216 3.095,1217 3.169,1218 2.945,1219 2.928,1220 4.573,1221 2.926,1222 2.976,1223 3.01,1224 2.894,1225 2.799,1226 4.362,1227 2.808,1228 2.928,1229 2.968,1230 2.807,1231 2.746,1232 4.015,1233 2.748,1234 0.158,1235 0.116,1236 0.232,1237 0.144,1238 0.109,1239 4.429,1240 0.148,1241 3.257,1243 6.508,1244 0.359,1245 4.024,1246 0.106,1247 3.05,1248 4.136,1250 10.055,1251 2.967,1252 1.929,1253 1.904,1254 2.016,1255 2.054,1256 1.125,1257 2.039,1258 1.907,1259 1.89,1260 1.998,1261 2.004,1262 1.087,1263 2.001,1264 1.716,1265 1.674,1266 1.852,1267 1.864,1268 0.907,1269 1.864,1270 1.31,1271 1.241,1272 1.577,1273 1.566,1274 0.631,1275 1.562,1276 1.16,1277 1.074,1278 1.462,1279 1.401,1280 0.476,1281 1.439,1282 1.073,1283 1.01,1284 1.294,1285 1.309,1286 0.273,1287 1.317,1288 0.919,1289 0.875,1290 1.152,1291 1.159,1292 0.22,1293 1.135,1294 0.883,1295 0.838,1296 1.099,1297 1.13,1298 0.135,1299 1.114,1300 4.043,1302 5.361,1304 6.876,1306 8.482,1308 10.133,1310 3.428,1314 29.544,1317 2.788,1326 28.918,1327 71.691,1328 160.789,1329 189.544,1330 219.95,1331 230.705,1332 230.705,1333 52.583,1334 7.074,1335 110.86,1336 110.86,1337 18,1338 12.339,1339 4.322,1340 3.459,1341 44.511,1342 104,1343 92,1344 0.207,1345 180.737,1346 311.45,1347 432.757,1348 11282,1350 18.681,1351 0.719,1352 0.55,1353 18.681,1354 14.302,1355 12.452,1356 0.445,1357 0.282,1358 7.794,1359 11.987,1360 7.546,1361 6.326,1362 12.452,1363 7.901,1364 11.328,1365 0.29,1366 0.148,1367 11.328,1368 5.753,1369 9.511,1370 0.19,1371 0.076,1372 9.511,1373 3.816,1374 7.459,1375 0.122,1376 0.039,1377 7.459,1378 2.392,1379 5.587,1380 0.078,1381 0.02,1382 5.587,1383 1.461,1384 0.329,1385 78.217,1386 0.234,1387 25.304,1388 0.554,1389 134,1390 421.717,1391 147.638,1392 414.596,1393 562.91,1394 384,1395 156,1396 418.824,1397 169.917,1398 425.784,1399 614.39,1400 399,1401 5.431}
{0 CHEMBL1415374,1 1.595,2 9.792,3 3.104,4 9.636,5 89.01,6 8.109,7 0.63,8 3.839,9 3.925,10 3.478,11 3.352,12 5.026,13 3.373,14 4.335,15 4.456,16 3.824,17 3.721,18 5.472,19 3.738,20 4.494,21 4.628,22 3.875,23 3.831,24 5.635,25 3.822,26 4.511,27 4.662,28 3.824,29 3.84,30 5.68,31 3.798,32 4.593,33 4.805,34 3.724,35 3.795,36 5.676,37 3.733,38 4.467,39 4.681,40 3.579,41 3.622,42 5.539,43 3.561,44 4.261,45 4.44,46 3.506,47 3.443,48 5.383,49 3.416,50 4.202,51 4.4,52 3.323,53 3.321,54 5.298,55 3.282,56 0.121,57 0.556,58 7.215,59 3.718,60 10.297,61 4.041,62 0.313,63 0.86,64 14.053,65 5.943,66 21.66,67 6.487,68 0.459,69 0.986,70 17.132,71 7.188,72 28.639,73 8.094,74 0.404,75 1.053,76 16.923,77 7.327,78 32.164,79 8.905,80 0.424,81 1.135,82 21.106,83 7.657,84 39.414,85 10.053,86 0.485,87 0.952,88 19.403,89 6.867,90 40.49,91 8.957,92 0.396,93 0.754,94 14.984,95 5.632,96 29.658,97 6.945,98 0.395,99 0.725,100 14.5,101 4.918,102 30.929,103 6.112,104 6,105 38,106 0.281,107 0.609,108 0.768,109 0.845,110 0.871,111 0.88,112 3.229,113 0.841,114 -2.86,115 -2.87,116 -2.78,120 45,125 1,126 2,143 6,144 3,145 4,146 1,153 1,170 1,174 6,177 5,182 4,185 8,188 1,189 7,194 3,197 5,201 7,204 1,205 1,206 6,209 5,214 4,217 1,219 2,222 5,226 1,227 2,230 2,232 2,235 5,239 2,240 3,243 1,245 1,247 2,252 5,255 1,264 3,267 1,274 786,275 16.662,276 16.662,277 16.662,278 16.662,279 16.662,280 14.666,281 14.465,282 9.763,283 17.203,284 13.275,285 13.275,286 13.275,287 13.275,288 13.275,289 10.177,290 16.561,291 4.534,292 14.056,293 3.726,294 1.858,295 0.957,296 0.519,297 0.369,298 0.319,299 3.93,305 1,306 1,307 1,308 518,309 2.236,312 59.392,313 180.925,317 94.985,320 1.476,321 23.388,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 53,333 235,334 4.552,335 3.291,336 6.787,337 4.176,338 3.194,339 4.27,340 0.86,341 11.159,342 3.138,343 4.269,344 3.183,345 6.222,346 3.86,347 2.908,348 3.916,349 0.86,350 9.309,351 2.775,352 4.018,353 2.867,354 5.992,355 3.606,356 2.652,357 3.581,358 0.86,359 8.446,360 2.516,361 3.563,362 2.541,363 5.344,364 3.194,365 2.247,366 2.889,368 6.792,369 2.119,370 3.264,371 2.191,372 4.95,373 2.818,374 1.872,375 2.558,377 5.363,378 1.761,379 2.923,380 2.065,381 4.43,382 2.53,383 1.618,384 2.061,386 4.371,387 1.469,388 2.837,389 1.779,390 4.197,391 2.397,392 1.448,393 1.973,395 3.648,396 1.371,397 2.507,398 1.51,399 3.737,400 2.314,401 1.378,402 1.508,404 3.013,405 1.273,406 2.395,407 1.151,408 3.596,409 1.904,410 0.95,411 1.35,413 2.379,414 0.903,415 2.323,416 1.034,417 3.407,418 1.868,419 0.902,420 1.257,422 2.156,423 0.867,424 1.859,425 0.846,426 3.154,427 1.524,428 0.618,429 0.75,431 1.479,432 0.555,433 1.643,434 0.811,435 2.876,436 1.328,437 0.457,438 0.525,440 0.727,441 0.394,442 1.096,443 0.109,444 2.56,445 0.743,446 -0.18,447 -0.221,449 -0.392,450 -0.164,451 0.865,452 -0.03,453 2.466,454 0.502,455 -0.437,456 -0.531,458 -1.072,459 -0.402,460 0.686,461 -0.301,462 2.196,463 0.311,464 -0.618,465 -0.729,467 -1.597,468 -0.565,469 11.133,470 0.464,471 0.5,472 0.021,473 33.75,474 1.406,475 18,476 0.75,477 15.75,478 0.656,479 16.104,480 0.671,481 25.467,482 0.637,483 24.055,484 1.002,485 6.95,486 0.29,487 4.808,488 0.2,489 0.075,491 0.359,496 0.908,497 1.043,498 0.715,499 1.015,500 0.933,501 0.856,502 1.263,503 0.985,504 0.862,505 0.876,506 0.893,507 0.791,508 1.146,509 1.02,510 0.973,511 0.973,512 1.008,513 0.945,514 0.775,515 1.291,516 1.023,517 1.206,518 0.892,519 1.185,520 0.8,521 1.081,522 0.98,523 1.014,524 0.995,525 1.022,526 0.839,527 0.916,528 0.949,529 0.941,530 1.168,531 0.963,532 0.972,533 1.048,534 0.916,535 1.051,536 1.067,537 0.998,538 1.087,539 1.049,540 1.104,541 1.045,542 0.966,543 1.054,544 4,545 0.082,546 2.889,547 1.306,548 1.499,549 0.803,550 0.389,551 0.327,552 0.209,553 0.076,554 6354,555 18435,556 2.161,557 40,559 13,561 1,562 2,567 1.671,568 2.057,569 3.262,570 0.296,571 1,572 1,574 1,575 63.818,576 1.595,577 3.464,578 4.365,579 4.803,580 4.953,581 5.003,582 2.721,583 4.502,584 4.555,585 3.365,586 928.788,587 7.871,588 10555,589 1,590 1,591 1,592 1,593 212.877,594 1.281,595 4.532,596 0.148,597 0.009,598 0.076,599 0.033,600 0.042,601 0.025,602 0.014,603 0.013,604 0.01,605 0.005,606 0.377,607 0.5,608 1,609 0.681,610 112.706,611 -0.059,612 0.055,613 0.046,614 -0.011,615 -0.119,616 0.032,617 -0.207,618 0.047,619 0.009,620 0.111,621 -0.096,622 0.115,623 -0.098,624 -0.024,625 -0.077,626 0.022,627 -0.071,628 -0.015,629 0.038,630 -0.261,631 -0.156,632 -0.22,633 0.038,634 -0.239,635 -0.037,636 -0.055,637 -0.02,638 -0.058,639 0.004,640 -0.036,641 0.057,642 0.068,643 0.054,644 0.021,645 -0.039,646 0.032,647 0.081,648 -0.086,649 0.069,650 -0.079,651 0.009,652 -0.033,653 -0.041,654 -0.045,655 -0.098,656 -0.109,657 0.03,658 -0.105,659 1.544,660 4.285,661 0.875,662 18.479,663 1.017,664 1.119,665 1.631,666 2.661,667 0.679,668 3.332,669 3.664,670 3.989,671 4.277,672 4.5,673 4.585,674 4.718,675 4.844,676 4.949,677 4.898,678 5.59,679 0.665,680 324.36,681 3.332,682 4.875,683 5.746,684 6.635,685 7.521,686 8.416,687 9.308,688 10.205,689 11.1,690 11.998,691 5,699 1,701 1,709 7,710 1,711 1,714 8,716 17,734 1,735 3,738 40,739 17,740 2,741 27,743 43,744 18,745 15,746 6,747 6,752 4,753 5,768 15,769 3,785 1,786 1,789 16,790 5,791 2,792 6,797 2,803 0.75,804 4,814 1,822 1,823 3,827 1,855 3,859 1,862 24,868 1,869 2,872 3,886 10,888 1,891 3,893 11.667,894 7.483,895 5.306,896 2.222,898 3.396,899 1.453,900 0.985,901 3.979,902 10.887,903 3.597,904 4.223,905 4.859,906 5.47,907 5.982,908 6.328,909 6.74,910 7.136,911 7.507,912 7.734,913 0.857,914 39,915 8.828,917 3.785,918 7.764,919 16.708,921 13.669,924 2.264,925 54.333,928 1,929 164.795,930 114.016,931 33.326,933 75.683,936 114.016,937 240.478,938 33.326,939 10.883,940 9.185,941 56.857,942 71.117,943 83.997,944 2.757,945 153.024,947 164.795,948 147.343,949 75.683,952 164.795,953 75.683,956 34.895,957 95.784,958 16.663,960 164.795,961 109.009,962 114.016,965 164.795,966 37.229,967 76.788,968 16.663,969 92.346,970 164.795,971 109.009,972 114.016,973 0.579,974 0.355,975 0.198,976 0.106,977 20,978 8,979 0.07,980 3,981 1,982 1.095,983 3.622,984 204.458,985 0.095,986 21,987 108.039,993 15.205,994 6.281,995 2.811,997 92.346,998 12.64,999 4.131,1000 2.956,1003 5.344,1005 59.346,1006 387.821,1007 35.5,1020 40.698,1021 44.741,1022 0.3,1023 0.651,1024 0.82,1025 0.903,1026 0.931,1027 0.94,1028 4.83,1029 1.378,1030 5.727,1031 3.648,1032 4.344,1033 4.909,1034 1.693,1035 6.561,1036 4.246,1037 6.039,1038 0.95,1039 7.296,1040 3.013,1041 3.892,1042 4.691,1044 7.506,1045 3.775,1046 7.352,1047 0.902,1048 8.968,1049 2.379,1050 5.953,1051 7.131,1052 1.454,1053 10.631,1054 5.791,1055 8.707,1056 0.618,1057 10.702,1058 2.156,1059 6.365,1060 7.771,1062 12.421,1063 6.188,1064 10.095,1065 0.457,1066 12.475,1067 1.479,1068 7.86,1069 9.64,1070 1.232,1071 15.055,1072 7.652,1073 11.506,1074 -0.18,1075 14.276,1076 0.727,1077 8.663,1078 10.672,1080 17.184,1081 8.439,1082 12.935,1083 -0.437,1084 16.096,1085 -0.392,1086 9.934,1087 12.301,1088 1.028,1089 19.657,1090 9.688,1091 3.194,1092 -0.618,1093 17.93,1094 -1.072,1095 10.917,1096 13.526,1098 21.933,1099 10.655,1100 2.908,1101 11.159,1102 19.775,1103 -1.597,1104 12.1,1105 15.046,1106 0.845,1107 24.352,1108 11.82,1109 2.652,1110 9.309,1111 21.629,1112 4.27,1113 13.166,1114 16.368,1116 26.693,1117 12.87,1118 2.247,1119 8.446,1120 23.49,1121 3.916,1122 14.317,1123 17.839,1124 0.684,1125 29.097,1126 14.005,1127 1.872,1128 6.792,1129 25.357,1130 3.581,1131 15.421,1132 19.213,1134 31.47,1135 15.094,1136 1.618,1137 5.363,1138 27.23,1139 2.889,1140 16.562,1141 20.662,1142 0.546,1143 33.871,1144 16.221,1145 1.448,1146 4.371,1147 29.106,1148 2.558,1149 17.686,1150 22.063,1152 36.26,1153 17.331,1154 6004,1155 10334,1156 18.493,1157 27.159,1158 40.75,1159 41.185,1160 41.825,1161 40.464,1162 40.486,1163 53.275,1164 5.16,1165 117.682,1166 38.284,1167 5.496,1168 5.291,1169 6.474,1170 5.317,1171 5.194,1172 7.27,1173 1.72,1174 18.54,1175 5.138,1176 8.782,1177 1.509,1178 1.525,1179 1.549,1180 1.499,1181 1.499,1182 1.973,1183 0.191,1184 4.359,1185 1.418,1186 4.07,1187 4.098,1188 4.036,1189 3.976,1190 6.469,1191 3.986,1192 3.889,1193 3.901,1194 3.844,1195 3.798,1196 5.045,1197 3.805,1198 3.705,1199 3.747,1200 3.651,1201 3.515,1202 4.902,1203 3.543,1204 3.409,1205 3.466,1206 3.271,1207 3.215,1208 4.78,1209 3.219,1210 3.234,1211 3.298,1212 3.066,1213 2.951,1214 4.29,1215 2.964,1216 2.933,1217 2.971,1218 2.799,1219 2.746,1220 4.248,1221 2.749,1222 2.903,1223 2.944,1224 2.794,1225 2.734,1226 4.208,1227 2.735,1228 2.74,1229 2.795,1230 2.617,1231 2.617,1232 3.529,1233 2.606,1234 0.169,1235 0.122,1236 0.251,1237 0.155,1238 0.118,1239 4.552,1240 0.158,1241 3.291,1242 0.032,1243 6.787,1244 0.413,1245 4.176,1246 0.116,1247 3.194,1248 4.27,1249 0.86,1250 11.159,1251 3.138,1252 1.949,1253 1.937,1254 2.023,1255 2.044,1256 1.174,1257 2.035,1258 1.857,1259 1.843,1260 1.949,1261 1.977,1262 1.067,1263 1.966,1264 1.474,1265 1.443,1266 1.699,1267 1.677,1268 0.936,1269 1.683,1270 1.302,1271 1.252,1272 1.576,1273 1.628,1274 0.61,1275 1.586,1276 1.227,1277 1.148,1278 1.408,1279 1.496,1280 0.537,1281 1.496,1282 1.13,1283 1.036,1284 1.367,1285 1.36,1286 0.259,1287 1.38,1288 0.883,1289 0.839,1290 1.14,1291 1.141,1292 0.175,1293 1.131,1294 0.855,1295 0.808,1296 1.113,1297 1.074,1298 0.157,1299 1.081,1300 4.007,1302 5.333,1303 2.398,1304 6.868,1305 4.595,1306 8.498,1307 6.605,1308 10.174,1310 1.561,1314 10.285,1315 1.094,1318 16.321,1326 26.59,1327 63.818,1328 138.555,1329 174.612,1330 192.122,1331 198.122,1332 200.122,1333 32.896,1334 7.492,1335 76.6,1336 76.6,1337 23,1338 12.522,1339 4.17,1340 3.248,1341 33.801,1342 79,1343 89,1344 0.21,1345 160.013,1346 273.86,1347 382.193,1348 18290,1350 16.518,1351 0.688,1352 0.545,1353 16.518,1354 13.075,1355 11.758,1356 0.435,1357 0.28,1358 7.412,1359 11.135,1360 7.267,1361 5.983,1362 11.758,1363 7.568,1364 10.365,1365 0.273,1366 0.142,1367 10.365,1368 5.4,1369 9.282,1370 0.175,1371 0.075,1372 9.282,1373 3.967,1374 7.971,1375 0.112,1376 0.039,1377 7.971,1378 2.771,1379 6.389,1380 0.072,1381 0.021,1382 6.389,1383 1.839,1384 0.323,1385 75.013,1386 0.233,1387 23.144,1388 0.597,1389 130,1390 423.334,1391 145.177,1392 395.785,1393 546.44,1394 374,1395 156,1396 406.584,1397 171.928,1398 407.335,1399 597.98,1400 383,1401 5.553}
{0 CHEMBL1415958,1 1.596,2 10.714,3 3.478,4 12.098,5 106.798,6 8.254,7 0.781,8 3.953,9 4.064,10 3.615,11 3.52,12 5.144,13 3.528,14 4.444,15 4.582,16 4.007,17 3.923,18 5.605,19 3.92,20 4.634,21 4.794,22 4.062,23 4.015,24 5.832,25 3.997,26 4.695,27 4.885,28 3.975,29 3.982,30 5.866,31 3.94,32 4.655,33 4.877,34 3.884,35 3.852,36 5.843,37 3.811,38 4.54,39 4.737,40 3.822,41 3.751,42 5.775,43 3.74,44 4.446,45 4.641,46 3.757,47 3.7,48 5.647,49 3.681,50 4.387,51 4.584,52 3.665,53 3.676,54 5.591,55 3.631,56 0.087,57 0.705,58 7.498,59 3.618,60 9.467,61 4.209,62 0.242,63 1.115,64 14.051,65 6.226,66 19.353,67 7.464,68 0.328,69 1.325,70 18.078,71 7.321,72 35.633,73 8.824,74 0.374,75 1.379,76 20.475,77 7.72,78 37.844,79 9.741,80 0.381,81 1.269,82 22.151,83 7.88,84 49.223,85 10.436,86 0.425,87 1.15,88 19.029,89 6.202,90 50.961,91 7.401,92 0.327,93 1.051,94 16.883,95 5.945,96 38.171,97 7.349,98 0.388,99 0.989,100 15.876,101 5.812,102 41.368,103 7.393,104 11,105 47,106 0.267,107 0.646,108 0.784,109 0.873,110 0.888,111 0.888,112 3.375,113 0.83,114 -4.06,115 -4.01,116 -3.79,120 46.7,122 1,125 1,143 8,144 4,145 1,147 1,148 1,152 1,153 1,159 1,162 1,164 1,165 1,166 1,167 1,174 10,176 2,177 9,179 1,180 1,182 4,185 11,187 1,188 2,189 8,191 1,192 1,194 4,197 9,199 1,200 2,201 10,203 1,204 1,206 2,209 6,211 1,214 9,216 1,217 3,219 2,222 3,224 2,226 1,227 11,230 1,232 3,235 4,237 3,239 1,240 6,243 1,245 2,247 5,249 1,251 1,252 5,254 1,255 1,256 1,257 2,259 1,260 7,262 1,264 2,269 4,271 7,273 2,274 1196,275 19.265,276 19.265,277 19.265,278 19.265,279 19.265,280 16.326,281 16.344,282 11.05,283 19.646,284 15.747,285 15.747,286 15.747,287 15.747,288 15.747,289 11.149,290 20.384,291 5.182,292 16.267,293 3.896,294 1.637,295 0.817,296 0.283,297 0.195,298 0.195,299 4.087,305 1,306 1,307 1,308 674,309 3.162,312 101.841,313 183.287,316 184.568,317 97.497,320 1.663,321 26.853,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.5,333 300,334 4.732,335 3.758,336 6.853,337 4.243,338 3.281,339 4.758,340 1.969,341 11.41,342 3.158,343 4.528,344 3.184,345 6.533,346 4.053,347 3.067,348 4.475,349 0.86,350 10.299,351 3.025,352 4.282,353 3.066,354 6.164,355 3.804,356 2.828,357 4.086,358 0.219,359 9.147,360 2.756,361 3.811,362 2.883,363 5.834,364 3.426,365 2.438,366 3.211,368 7.801,369 2.403,370 3.565,371 2.488,372 5.22,373 3.141,374 2.201,375 2.94,377 6.482,378 2.061,379 3.402,380 2.137,381 5.179,382 2.958,383 1.984,384 2.774,386 6.091,387 1.93,388 3.233,389 2.014,390 4.946,391 2.726,392 1.754,393 2.537,395 5.297,396 1.695,397 3.045,398 1.548,399 4.455,400 2.518,401 1.546,402 2.318,404 4.266,405 1.501,406 2.929,407 1.546,408 4.262,409 2.442,410 1.484,411 2.114,413 3.8,414 1.418,415 2.706,416 1.476,417 4.043,418 2.231,419 1.234,420 1.776,422 3.239,423 1.228,424 2.588,425 1.238,426 3.579,427 2.069,428 1.07,429 1.59,431 2.665,432 1.063,433 2.108,434 1.097,435 3.372,436 1.647,437 0.698,438 0.951,440 1.659,441 0.657,442 2.044,443 0.81,444 3.107,445 1.541,446 0.578,447 0.816,449 1.312,450 0.551,451 1.621,452 0.659,453 2.889,454 1.29,455 0.394,456 0.475,458 0.684,459 0.351,460 1.062,461 0.324,462 2.684,463 0.683,464 -0.328,465 -0.431,467 -0.802,468 -0.322,469 13.167,470 0.47,471 0.709,472 0.025,473 41.25,474 1.473,475 22.5,476 0.804,477 18.75,478 0.67,479 19.314,480 0.69,481 28.233,482 0.627,483 31.092,484 1.11,485 8.316,486 0.297,487 5.319,488 0.19,489 0.094,491 0.41,496 0.814,497 1.081,498 0.695,499 0.901,500 0.73,501 0.791,502 0.867,503 1.06,504 0.732,505 0.894,506 0.646,507 0.816,508 1.045,509 1.133,510 0.956,511 1.02,512 1.028,513 0.983,514 0.973,515 1.139,516 1.086,517 1.126,518 0.982,519 1.116,520 0.917,521 1.066,522 0.873,523 1.005,524 1.083,525 0.941,526 1.545,527 1.027,528 1.088,529 0.881,530 1.943,531 0.894,532 1.241,533 1.048,534 0.985,535 0.951,536 1.472,537 0.922,538 0.912,539 0.939,540 1.005,541 0.929,542 1.008,543 0.966,544 5.5,545 0.107,546 3.556,547 2.368,548 1.88,549 1.014,550 0.655,551 0.491,552 0.349,553 0.15,554 10134,555 26956,556 2.177,557 37.8,559 11,560 1,562 3,563 2,567 1.712,568 2.049,569 3.395,570 0.917,572 1,575 71.798,576 1.596,577 3.855,578 4.675,579 5.208,580 5.297,581 5.297,582 2.88,583 4.664,584 4.779,585 3.529,586 1333.88,587 8.318,588 17084.5,590 1,592 1,593 247.133,594 1.375,595 4.745,596 0.172,597 0.006,598 0.076,599 0.049,600 0.045,601 0.027,602 0.018,603 0.014,604 0.011,605 0.006,606 0.424,607 0.5,608 0.88,609 0.689,610 139.137,611 -0.043,612 0.029,613 0.043,614 0.033,615 -0.117,616 0.052,617 0.044,618 -0.007,619 0.093,620 0.06,621 0.009,622 0.072,623 -0.048,624 -0.085,625 -0.077,626 -0.079,627 -0.029,628 -0.088,629 -0.01,630 -0.103,631 -0.154,632 -0.187,633 0.002,634 -0.191,635 0.105,636 -0.095,637 0.153,638 -0.034,639 0.173,640 0.05,641 -0.2,642 0.005,643 -0.082,644 0.038,645 -0.216,646 0.009,647 -0.077,648 -0.03,649 -0.005,650 -0.011,651 -0.106,652 0.004,653 0.116,654 0.071,655 -0.04,656 0.027,657 0.096,658 -0.018,659 1.86,660 6.009,661 0.786,662 24.551,663 1.01,664 1.12,665 2.827,666 7.992,667 0.7,668 3.497,669 3.871,670 4.22,671 4.543,672 4.804,673 4.934,674 5.118,675 5.313,676 5.398,677 5.464,678 6.263,679 0.682,680 371.43,681 3.497,682 5.069,683 5.958,684 6.868,685 7.774,686 8.689,687 9.601,688 10.518,689 11.433,690 12.351,691 11.1,695 1,699 2,701 2,708 6,709 9,710 2,711 1,714 3,715 1,716 25,728 1,735 1,738 45,739 26,740 2,741 32,743 49,744 21,745 18,746 5,747 7,748 1,752 5,753 9,766 1,768 19,769 2,772 1,778 1,782 1,785 1,786 1,789 17,790 5,791 3,792 7,797 5,803 0.4,804 2,814 1,816 1,818 1,822 2,823 3,826 2,827 1,855 2,859 1,862 28,863 1,869 1,872 1,886 4.4,889 1,891 1,893 13.667,894 8.517,895 6.028,896 2.526,898 5.149,899 1.623,900 1.072,901 3.897,902 13.409,903 3.839,904 4.57,905 5.293,906 5.994,907 6.605,908 7.063,909 7.583,910 8.102,911 8.438,912 8.757,913 1,914 48,915 10.328,917 4.553,918 7.756,919 19.54,921 16.449,924 2.256,925 63.167,928 1,929 164.795,930 127.459,931 84.908,933 36.145,936 127.459,937 200.94,938 84.908,939 10.883,940 2.535,941 117.755,942 65.013,943 47.854,944 16.243,945 153.024,947 164.795,948 212.367,949 36.145,952 164.795,953 36.145,956 24.956,957 153.962,958 33.449,960 164.795,961 121.053,962 127.459,965 164.795,966 31.719,967 97.517,968 16.786,969 102.491,970 164.795,971 121.053,972 127.459,973 0.591,974 0.362,975 0.203,976 0.113,977 26,978 11,979 0.061,980 3,981 3,982 1.273,983 3.969,984 261.965,985 0.273,986 22,987 134.606,993 16.929,994 6.445,995 2.782,996 4.735,997 102.491,998 17.214,999 8.888,1000 3.188,1003 1.89,1004 1.297,1005 49.683,1006 413.307,1007 45.5,1013 13.009,1017 -0.193,1020 45.465,1021 50.402,1022 0.291,1023 0.702,1024 0.851,1025 0.948,1026 0.965,1027 0.965,1028 5.083,1029 1.546,1030 5.964,1031 5.297,1032 4.554,1033 5.257,1034 2.212,1035 6.832,1036 4.495,1037 6.341,1038 1.484,1039 7.556,1040 4.266,1041 4.205,1042 5.239,1043 1.593,1044 7.811,1045 4.122,1046 7.688,1047 1.234,1048 9.247,1049 3.8,1050 6.205,1051 7.648,1052 3.111,1053 10.947,1054 6.092,1055 9.075,1056 1.07,1057 10.994,1058 3.239,1059 6.686,1060 8.48,1061 3.123,1062 12.755,1063 6.545,1064 10.495,1065 0.698,1066 12.778,1067 2.665,1068 8.156,1069 10.352,1070 4.272,1071 15.404,1072 7.99,1073 11.938,1074 0.578,1075 14.587,1076 1.659,1077 9.012,1078 11.571,1079 4.586,1080 17.555,1081 8.815,1082 13.4,1083 0.394,1084 16.414,1085 1.312,1086 10.281,1087 13.235,1088 5.535,1089 20.04,1090 10.058,1091 3.281,1092 -0.328,1093 18.254,1094 0.684,1095 11.307,1096 14.629,1097 6.005,1098 22.337,1099 11.05,1100 3.067,1101 11.41,1102 20.106,1103 -0.802,1104 12.5,1105 16.21,1106 6.84,1107 24.766,1108 12.216,1109 2.828,1110 10.299,1111 21.967,1112 4.758,1113 13.6,1114 17.683,1115 7.398,1116 27.126,1117 13.281,1118 2.438,1119 9.147,1120 23.835,1121 4.475,1122 14.768,1123 19.232,1124 8.167,1125 29.539,1126 14.419,1127 2.201,1128 7.801,1129 25.709,1130 4.086,1131 15.902,1132 20.74,1133 8.774,1134 31.928,1135 15.518,1136 1.984,1137 6.482,1138 27.588,1139 3.211,1140 17.064,1141 22.279,1142 9.505,1143 34.339,1144 16.647,1145 1.754,1146 6.091,1147 29.471,1148 2.94,1149 18.215,1150 23.803,1151 10.141,1152 36.742,1153 17.762,1154 9328,1155 15364,1156 21.789,1157 31.506,1158 49.376,1159 50.571,1160 50.722,1161 49.052,1162 49.115,1163 69.64,1164 6.096,1165 148.303,1166 47.595,1167 5.58,1168 5.758,1169 6.535,1170 5.298,1171 5.281,1172 7.758,1173 3.473,1174 18.724,1175 5.158,1176 11.655,1177 1.543,1178 1.58,1179 1.585,1180 1.533,1181 1.535,1182 2.176,1183 0.19,1184 4.634,1185 1.487,1186 4.192,1187 4.227,1188 4.169,1189 4.084,1190 7.428,1191 4.098,1192 4.103,1193 4.136,1194 4.064,1195 4.021,1196 5.24,1197 4.028,1198 3.798,1199 3.833,1200 3.763,1201 3.647,1202 4.967,1203 3.672,1204 3.492,1205 3.53,1206 3.405,1207 3.379,1208 4.933,1209 3.377,1210 3.32,1211 3.371,1212 3.225,1213 3.102,1214 4.656,1215 3.128,1216 3.233,1217 3.303,1218 3.103,1219 2.973,1220 4.346,1221 2.991,1222 3.034,1223 3.121,1224 2.937,1225 2.855,1226 4.301,1227 2.865,1228 2.952,1229 3.026,1230 2.811,1231 2.788,1232 4.006,1233 2.784,1234 0.148,1235 0.117,1236 0.214,1237 0.133,1238 0.103,1239 4.732,1240 0.149,1241 3.758,1242 0.062,1243 6.853,1244 0.357,1245 4.243,1246 0.099,1247 3.281,1248 4.758,1249 1.969,1250 11.41,1251 3.158,1252 2.046,1253 2.026,1254 2.104,1255 2.138,1256 1.242,1257 2.127,1258 1.939,1259 1.916,1260 2.034,1261 2.017,1262 1.187,1263 2.024,1264 1.655,1265 1.613,1266 1.789,1267 1.87,1268 0.936,1269 1.84,1270 1.538,1271 1.51,1272 1.661,1273 1.7,1274 0.753,1275 1.688,1276 1.364,1277 1.297,1278 1.531,1279 1.658,1280 0.562,1281 1.617,1282 1.18,1283 1.106,1284 1.475,1285 1.482,1286 0.463,1287 1.497,1288 1.094,1289 1.024,1290 1.303,1291 1.338,1292 0.287,1293 1.342,1294 0.923,1295 0.871,1296 1.168,1297 1.132,1298 0.209,1299 1.148,1300 4.174,1302 5.533,1303 3.045,1304 7.089,1305 5.476,1306 8.734,1307 7.627,1308 10.428,1310 1.604,1313 6.071,1315 0.193,1318 5.271,1326 30.697,1327 71.798,1328 173.485,1329 210.379,1330 234.379,1331 238.379,1332 238.379,1333 40.926,1334 8.26,1335 98.82,1336 98.82,1337 28,1338 12.861,1339 4.755,1340 3.858,1341 37.636,1342 104,1343 108,1344 0.176,1345 185.005,1346 299.1,1347 443.173,1348 47603,1350 19.25,1351 0.688,1352 0.541,1353 19.25,1354 15.139,1355 13.635,1356 0.426,1357 0.277,1358 8.717,1359 13.103,1360 8.522,1361 7.044,1362 13.635,1363 8.85,1364 12.542,1365 0.267,1366 0.141,1367 12.542,1368 6.645,1369 11.337,1370 0.169,1371 0.074,1372 11.337,1373 4.942,1374 9.825,1375 0.106,1376 0.038,1377 9.825,1378 3.512,1379 8.282,1380 0.068,1381 0.02,1382 8.282,1383 2.405,1384 0.273,1385 85.602,1386 0.214,1387 26.449,1388 0.492,1389 158,1390 456.052,1391 172.807,1392 445.001,1393 624.81,1394 418,1395 193,1396 480.686,1397 209.03,1398 487.242,1399 719.28,1400 459,1401 6.57}
{0 CHEMBL1416493,1 2.227,2 11.655,3 5.193,4 26.965,5 111.059,6 11.548,7 0.387,8 3.853,9 3.92,10 3.789,11 3.444,12 5.206,13 3.452,14 4.351,15 4.443,16 4.334,17 3.818,18 6.157,19 3.819,20 4.478,21 4.567,22 4.355,23 3.887,24 6.043,25 3.89,26 4.583,27 4.728,28 4.251,29 3.859,30 6.124,31 3.824,32 4.446,33 4.57,34 4.338,35 3.832,36 6.031,37 3.784,38 4.34,39 4.454,40 4.367,41 3.831,42 5.882,43 3.73,44 4.267,45 4.407,46 3.972,47 3.612,48 5.739,49 3.531,50 4.07,51 4.153,52 3.913,53 3.471,54 5.7,55 3.45,56 0.375,57 0.788,58 1.314,59 3.471,60 50.879,61 2.609,62 1.074,63 1.615,64 9.49,65 6.478,66 158.104,67 4.386,68 0.845,69 1.342,70 8.678,71 7.095,72 86.194,73 5.47,74 1.244,75 1.484,76 17.411,77 8.938,78 167.745,79 6.55,80 1.027,81 1.132,82 21.019,83 8.426,84 127.327,85 6.67,86 0.752,87 1.068,88 18.105,89 7.873,90 91.263,91 6.171,92 0.842,93 1.058,94 19.789,95 7.687,96 117.467,97 5.711,98 0.573,99 0.966,100 12.796,101 6.052,102 89.717,103 4.404,104 69,105 46,106 0.393,107 0.784,108 0.861,109 0.896,110 0.896,111 0.896,112 3.408,113 0.904,114 -4.35,115 -4.28,116 -4.04,120 42.5,125 1,133 1,136 1,139 1,143 4,144 2,145 3,146 1,148 1,159 1,160 1,170 1,174 5,176 1,177 3,180 1,182 1,185 6,188 1,189 7,192 2,194 5,197 4,201 6,206 3,209 2,213 1,214 6,219 2,222 1,227 6,232 2,235 2,239 2,240 2,245 2,247 3,252 2,255 3,260 3,264 1,268 1,271 5,274 1376,275 18.582,276 18.582,277 18.582,278 18.582,279 18.582,280 16.663,281 18.653,282 10.413,283 19.56,284 15.169,285 15.169,286 15.169,287 15.169,288 15.169,289 12.075,290 16.289,291 4.832,292 16.835,293 3.095,294 0.875,295 0.438,296 0.238,297 0.238,298 0.238,299 4.079,303 1,306 1,307 1,308 704,309 3.742,312 88.477,313 210.423,320 2.036,321 57.783,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 67.333,333 338,334 4.488,335 4.905,336 7.118,337 4.19,338 3.328,339 3.996,340 4.503,341 11.699,342 2.941,343 4.41,344 4.461,345 6.664,346 4.082,347 3.164,348 3.943,349 3.825,350 10.635,351 2.866,352 4.226,353 3.688,354 6.074,355 3.818,356 2.863,357 3.67,358 1.059,359 8.79,360 2.727,361 4.029,362 3.306,363 6.018,364 3.607,365 2.719,366 3.337,367 0.86,368 8.56,369 2.374,370 3.649,371 3.131,372 5.516,373 3.239,374 2.29,375 2.941,376 0.524,377 7.083,378 2.158,379 3.304,380 3.118,381 5.096,382 2.822,383 1.889,384 2.473,386 5.792,387 1.722,388 2.99,389 2.276,390 4.676,391 2.538,392 1.669,393 2.076,395 4.867,396 1.419,397 2.892,398 2.049,399 4.586,400 2.464,401 1.532,402 2.022,404 4.426,405 1.413,406 2.878,407 1.981,408 4.205,409 2.39,410 1.519,411 1.997,413 3.836,414 1.267,415 2.801,416 1.956,417 4.149,418 2.266,419 1.384,420 1.835,422 3.624,423 1.166,424 2,425 1.695,426 3.347,427 1.522,428 0.572,429 0.726,431 1.403,432 0.527,433 1.735,434 1.463,435 3.011,436 1.407,437 0.503,438 0.607,440 0.924,441 0.448,442 1.346,443 0.941,444 2.858,445 1.012,446 0.123,447 0.143,449 0.272,450 0.105,451 1.265,452 0.584,453 2.776,454 0.767,455 -0.123,456 -0.157,458 -0.275,459 -0.097,460 0.969,461 0.54,462 2.39,463 0.404,464 -0.442,465 -0.559,467 -1.032,468 -0.362,469 13.938,470 0.481,471 1.076,472 0.037,473 36.25,474 1.25,475 17.5,476 0.603,477 18.75,478 0.647,479 25.057,480 0.864,481 31.662,482 0.792,483 31.262,484 1.078,485 7.404,486 0.255,487 6.191,488 0.213,489 0.256,490 0.036,491 0.352,493 3,496 0.715,497 0.847,498 0.559,499 0.714,500 0.684,501 0.712,502 0.636,503 0.721,504 0.545,505 0.665,506 0.48,507 0.679,508 0.731,509 1.007,510 0.85,511 1.097,512 0.686,513 1.091,514 1.129,515 0.849,516 1.095,517 0.908,518 1.115,519 1.039,520 0.722,521 0.816,522 1.1,523 1.074,524 0.669,525 0.942,526 0.563,527 0.572,528 0.833,529 0.926,530 0.632,531 0.927,532 0.815,533 0.63,534 1.32,535 1.136,536 1.018,537 1.001,538 0.851,539 1.207,540 1.328,541 1.482,542 0.901,543 1.209,544 8.5,545 0.157,546 4.444,547 2.889,548 1.912,549 1.393,550 0.703,551 0.576,552 0.537,553 0.205,554 10334,555 50213,556 1.946,557 27.5,559 8,561 1,562 2,567 1.718,568 1.749,569 3.481,570 0.399,575 89.072,576 2.227,577 4.446,578 4.884,579 5.084,580 5.084,581 5.084,582 2.932,583 4.418,584 4.828,585 3.714,586 1508,587 8.401,588 20641,593 212.877,594 1.739,595 4.736,596 0.274,597 0.009,598 0.097,599 0.061,600 0.048,601 0.035,602 0.019,603 0.019,604 0.018,605 0.007,606 0.587,607 0.17,608 0.88,609 0.946,610 148.247,611 -0.092,612 -0.016,613 -0.014,614 0.046,615 -0.126,616 0.038,617 0.228,618 0.275,619 0.177,620 0.204,621 0.325,622 0.132,623 0.007,624 -0.209,625 -0.03,626 -0.232,627 -0.001,628 -0.229,629 -0.179,630 0.089,631 -0.127,632 0.05,633 -0.164,634 -0.043,635 0.065,636 -0.042,637 0.084,638 -0.016,639 0.075,640 0.112,641 0.115,642 0.133,643 0.323,644 0.178,645 0.056,646 0.123,647 0.02,648 0.234,649 -0.176,650 0.06,651 -0.146,652 0.082,654 -0.265,655 -0.269,656 -0.35,657 -0.024,658 -0.261,659 5.842,660 5.639,661 0.586,662 29.422,663 1.065,664 1.135,665 3.12,666 9.737,667 0.748,668 3.466,669 3.85,670 4.078,671 4.277,672 4.477,673 4.511,674 4.605,675 4.71,676 4.852,677 4.812,678 7.053,679 0.743,680 461.9,681 3.466,682 5.043,683 5.894,684 6.79,685 7.661,686 8.554,687 9.431,688 10.323,689 11.204,690 12.096,691 7.5,696 1,698 1,701 1,709 5,710 1,714 6,716 12,734 1,735 1,737 1,738 40,739 15,740 1,741 31,743 42,744 17,745 11,746 3,747 3,748 3,752 3,753 3,754 1,759 1,765 1,768 15,769 2,772 3,778 1,779 1,780 1,782 3,787 3,789 11,790 9,791 2,792 12,793 3,797 3,801 1,803 1,804 3,816 1,822 1,823 2,845 2,852 1,855 3,857 2,859 1,860 1,861 3,862 29,868 1,871 1,872 1,873 1,875 1,876 1,885 4,886 7.5,888 1,889 1,891 1,893 16.583,894 7.588,895 6.222,896 2.008,898 2.71,899 1.368,900 0.953,901 6.407,902 10.08,903 3.714,904 4.317,905 4.832,906 5.31,907 5.82,908 6.005,909 6.271,910 6.542,911 6.869,912 6.974,913 0.875,914 47,915 11.207,917 5.388,918 8.53,919 18.868,921 15.091,924 3.03,925 87.861,928 1,929 105.94,930 176.181,931 37.676,932 39.149,933 78.828,934 44.88,935 77.412,936 98.77,937 223.917,938 82.556,939 10.883,940 3.002,941 47.381,942 120.529,943 80.043,944 2.328,945 126.388,946 92.1,947 105.94,948 136.445,949 123.708,950 116.56,952 105.94,953 123.708,956 19.809,957 70.936,958 84.849,959 77.412,960 150.82,961 116.504,962 215.33,965 113.699,966 55.918,967 70.314,968 17.888,969 224.835,970 105.94,971 161.384,972 215.33,973 0.604,974 0.35,975 0.17,976 0.092,977 22,978 12,979 0.095,980 4,982 1,983 3.885,984 250.369,986 17,987 136.127,989 1,990 1,993 21.868,994 8.497,995 4.845,997 161.384,998 5.822,999 3.629,1003 -0.731,1005 60.572,1006 482.654,1007 40,1013 12.639,1014 5.157,1015 1.532,1017 -0.173,1020 42.604,1021 45.417,1022 0.418,1023 0.835,1024 0.918,1025 0.955,1026 0.955,1027 0.955,1028 4.997,1029 1.532,1030 5.953,1031 4.867,1032 4.533,1033 5.004,1034 4.144,1035 6.823,1036 4.34,1037 6.247,1038 1.519,1039 7.571,1040 4.426,1041 4.443,1042 4.997,1043 4.24,1044 7.995,1045 4.076,1046 7.59,1047 1.384,1048 9.292,1049 3.836,1050 6.248,1051 7.18,1052 6.84,1053 10.998,1054 5.879,1055 8.963,1056 0.572,1057 11.072,1058 3.624,1059 6.899,1060 7.875,1061 7.276,1062 12.925,1063 6.347,1064 10.362,1065 0.503,1066 12.888,1067 1.403,1068 8.276,1069 9.621,1070 9.711,1071 15.524,1072 7.701,1073 11.778,1074 0.123,1075 14.729,1076 0.924,1077 9.228,1078 10.63,1079 10.269,1080 17.748,1081 8.484,1082 13.208,1083 -0.123,1084 16.589,1085 0.272,1086 10.461,1087 12.193,1088 12.613,1089 20.223,1090 9.662,1091 3.328,1092 -0.442,1093 18.463,1094 -0.275,1095 11.539,1096 13.36,1097 13.276,1098 22.568,1099 10.589,1100 3.164,1101 11.699,1102 20.349,1103 -1.032,1104 12.724,1105 14.833,1106 15.531,1107 25.008,1108 11.694,1109 2.863,1110 10.635,1111 22.245,1112 3.996,1113 13.854,1114 16.086,1115 16.297,1116 27.405,1117 12.688,1118 2.719,1119 8.79,1120 24.148,1121 3.943,1122 15.027,1123 17.512,1124 18.463,1125 29.838,1126 13.763,1127 2.29,1128 8.56,1129 26.059,1130 3.67,1131 16.181,1132 18.813,1133 19.326,1134 32.258,1135 14.789,1136 1.889,1137 7.083,1138 27.975,1139 3.337,1140 17.353,1141 20.214,1142 21.406,1143 34.693,1144 15.852,1145 1.669,1146 5.792,1147 29.896,1148 2.941,1149 18.519,1150 21.543,1151 22.359,1152 37.124,1153 16.894,1154 10277,1155 22885,1156 19.304,1157 29.915,1158 47.947,1159 51.782,1160 49.693,1161 47.478,1162 47.11,1163 59.532,1164 21.543,1165 143.823,1166 42.264,1167 5.419,1168 6.905,1169 6.641,1170 5.316,1171 5.328,1172 6.996,1173 8.638,1174 18.743,1175 4.941,1176 20.04,1177 1.547,1178 1.67,1179 1.603,1180 1.532,1181 1.52,1182 1.92,1183 0.695,1184 4.639,1185 1.363,1186 3.976,1187 3.997,1188 4.217,1189 3.91,1190 8.513,1191 3.898,1192 3.903,1193 3.927,1194 4.009,1195 3.795,1196 7.999,1197 3.807,1198 3.705,1199 3.714,1200 3.859,1201 3.662,1202 7.999,1203 3.604,1204 3.339,1205 3.382,1206 3.518,1207 3.113,1208 7.428,1209 3.118,1210 3.253,1211 3.311,1212 3.407,1213 3.032,1214 6.47,1215 3.026,1216 3.093,1217 3.13,1218 3.165,1219 2.945,1220 5.001,1221 2.927,1222 2.81,1223 2.85,1224 3.061,1225 2.706,1226 4.797,1227 2.682,1228 2.789,1229 2.846,1230 2.966,1231 2.62,1232 4.735,1233 2.609,1234 0.145,1235 0.158,1236 0.23,1237 0.135,1238 0.107,1239 4.488,1240 0.129,1241 4.905,1242 0.145,1243 7.118,1244 0.377,1245 4.19,1246 0.095,1247 3.328,1248 3.996,1249 4.503,1250 11.699,1251 2.941,1252 1.903,1253 1.89,1254 1.986,1255 1.997,1256 1.1,1257 1.992,1258 1.833,1259 1.806,1260 1.875,1261 1.978,1262 0.977,1263 1.955,1264 1.45,1265 1.444,1266 1.585,1267 1.67,1268 0.632,1269 1.619,1270 1.297,1271 1.292,1272 1.478,1273 1.527,1274 0.556,1275 1.531,1276 1.182,1277 1.112,1278 1.257,1279 1.433,1280 0.377,1281 1.422,1282 1.024,1283 1.016,1284 1.086,1285 1.285,1286 0.158,1287 1.219,1288 0.834,1289 0.813,1290 0.977,1291 1.031,1292 0.095,1293 1.036,1294 0.76,1295 0.711,1296 0.929,1297 0.981,1299 0.992,1300 4.143,1302 5.509,1303 2.398,1304 7.052,1305 4.844,1306 8.67,1307 6.986,1308 10.325,1310 1.392,1311 5.858,1312 38.178,1314 9.645,1317 2.541,1318 5.022,1319 0.979,1321 0.963,1322 -4.592,1326 29.721,1327 89.072,1328 177.858,1329 195.367,1330 203.367,1331 203.367,1332 203.367,1333 85.038,1334 7.37,1335 76.38,1336 136.71,1337 17,1338 12.626,1339 4,1340 3.322,1341 52.615,1342 122,1343 111,1344 0.211,1345 191.874,1346 349.83,1347 459.934,1348 15275,1349 10,1350 21.345,1351 0.736,1352 0.581,1353 20.198,1354 16.84,1355 13.596,1356 0.439,1357 0.301,1358 7.679,1359 11.902,1360 7.425,1361 6.089,1362 13.37,1363 9.345,1364 13.405,1365 0.291,1366 0.167,1367 12.993,1368 7.695,1369 10.603,1370 0.183,1371 0.091,1372 11.142,1373 5.272,1374 8.162,1375 0.115,1376 0.052,1377 9.286,1378 3.669,1379 6.509,1380 0.075,1381 0.028,1382 7.216,1383 2.393,1384 0.334,1385 97.638,1386 0.228,1387 27.627,1388 0.571,1389 154,1390 745.501,1391 245.437,1392 703.312,1393 896.49,1394 646,1395 181,1396 571.514,1397 252.235,1398 591.308,1399 887.33,1400 550,1401 4.443}
{0 CHEMBL1416848,1 1.783,2 9.143,3 3.568,4 12.727,5 87.009,6 9.589,7 0.696,8 3.617,9 3.689,10 3.498,11 3.345,12 4.828,13 3.269,14 4.075,15 4.179,16 3.891,17 3.721,18 5.36,19 3.609,20 4.239,21 4.387,22 3.875,23 3.787,24 5.337,25 3.63,26 4.174,27 4.317,28 3.94,29 3.719,30 5.281,31 3.548,32 4.042,33 4.211,34 3.505,35 3.543,36 5.056,37 3.412,38 4.081,39 4.258,40 3.538,41 3.497,42 5.276,43 3.379,44 3.991,45 4.158,46 3.452,47 3.36,48 5.249,49 3.251,50 3.806,51 3.95,52 3.269,53 3.058,54 5.216,55 2.97,56 0.054,57 0.434,58 4.515,59 3.014,60 8.836,61 3.109,62 0.216,63 0.758,64 11.737,65 5.477,66 34.007,67 5.585,68 0.215,69 0.859,70 17.375,71 7.549,72 35.499,73 7.359,74 0.273,75 0.881,76 23.617,77 7.933,78 29.18,79 6.531,80 0.108,81 0.708,82 13.013,83 5.684,84 13.678,85 6.292,86 0.224,87 0.76,88 14.073,89 5.709,90 26.503,91 6.11,92 0.166,93 0.706,94 14.259,95 5.401,96 18.429,97 4.995,98 0.299,99 0.541,100 11.615,101 4.393,102 36.177,103 3.62,104 9,105 31,106 0.327,107 0.673,108 0.778,109 0.842,110 0.857,111 0.857,112 3.103,113 1.068,114 -3.97,115 -3.92,116 -3.72,120 45.5,122 1,126 1,143 6,144 2,148 1,149 1,153 1,159 1,162 1,168 1,172 1,174 7,175 1,176 1,177 5,180 1,182 1,185 12,189 2,197 9,198 1,201 5,206 1,209 8,214 3,215 1,222 6,223 1,226 1,227 6,230 1,232 1,235 4,236 1,240 4,241 1,245 1,247 3,248 1,251 1,252 2,255 1,257 1,260 3,261 1,264 1,269 1,271 2,272 2,274 579,275 14.345,276 14.345,277 14.345,278 14.345,279 14.345,280 12.32,281 4.783,282 8.746,283 14.854,284 11.403,285 11.403,286 11.403,287 11.403,288 11.403,289 8.368,290 3.173,291 4.198,292 12.254,293 3.261,294 1.369,295 0.796,296 0.447,297 0.364,298 0.364,299 3.787,305 1,306 1,307 1,308 408,309 2.915,312 40.644,313 116.301,316 80.473,320 1.592,321 18.248,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 45,333 192,334 4.59,335 4.434,336 6.592,337 4.069,338 3.143,339 4.54,340 2.95,341 10.556,342 2.911,343 4.06,344 3.596,345 6.053,346 3.642,347 2.685,348 3.64,349 2.341,350 8.725,351 2.572,352 3.564,353 3.087,354 5.201,355 3.227,356 2.244,357 2.904,359 6.251,360 2.19,361 3.477,362 2.747,363 4.653,364 2.94,365 2.065,366 2.703,368 5.156,369 1.785,370 3.2,371 2.364,372 4.4,373 2.679,374 1.73,375 2.521,377 4.324,378 1.61,379 2.921,380 1.746,381 4.126,382 2.38,383 1.439,384 2.121,386 3.501,387 1.349,388 2.5,389 1.443,390 3.489,391 2.014,392 1.149,393 1.5,395 2.564,396 1,397 2.5,398 1.122,399 3.432,400 2,401 1,402 1.5,404 2.464,405 0.966,406 2.359,407 1,408 3.247,409 1.95,410 1,411 1.319,413 2.136,414 0.936,415 1.956,416 1,417 3.104,418 1.444,419 0.567,420 0.762,422 1.423,423 0.484,424 1.187,425 0.863,426 2.476,427 0.766,428 -0.112,429 -0.135,431 -0.266,432 -0.096,433 0.793,434 0.241,435 2.39,436 0.368,437 -0.582,438 -0.746,440 -1.377,441 -0.528,442 0.651,443 0.14,444 2.237,445 0.17,446 -0.769,447 -0.998,449 -1.772,450 -0.711,451 0.5,452 -0.623,453 1.833,455 -1,456 -1.345,458 -2,459 -0.889,460 0.5,461 -0.963,462 1.555,463 -0.019,464 -1,465 -1.5,467 -2.347,468 -0.968,469 10.633,470 0.506,471 0.435,472 0.021,473 29,474 1.381,475 16,476 0.762,477 13,478 0.619,479 15.187,480 0.723,481 21.167,482 0.641,483 17.35,484 0.826,485 5.39,486 0.257,487 4.847,488 0.231,489 0.063,491 0.282,496 0.77,497 0.939,498 0.698,499 0.735,500 0.71,501 0.745,502 0.462,503 0.991,504 0.988,505 1.021,506 0.414,507 0.925,508 0.984,509 0.977,510 1.13,511 0.983,512 1.008,513 0.947,514 0.965,515 1.082,516 1.331,517 1.26,518 0.961,519 1.027,520 0.534,521 1.104,522 0.972,523 1.037,524 0.419,525 1.079,526 0.655,527 1.047,528 0.969,529 0.981,530 0.551,531 1.02,532 1.225,533 1.147,534 1.22,535 1.158,536 0.983,537 1.074,538 1.569,539 1.07,540 1.157,541 1.21,542 1.865,543 1.199,544 3.5,545 0.054,546 2,547 1.069,548 0.814,549 0.598,550 0.325,551 0.194,552 0.146,553 0.066,554 4372,555 15016,556 2.102,557 36.4,559 8,561 1,562 1,563 2,567 1.632,568 2,569 3.178,570 -0.244,572 1,574 1,575 58.842,576 1.783,577 3.676,578 4.248,579 4.597,580 4.681,581 4.681,582 2.653,583 4.011,584 4.357,585 3.326,586 698.539,587 7.469,588 7416.74,589 1,590 1,591 1,592 1,593 166.465,594 1.268,595 4.338,596 0.152,597 0.008,598 0.065,599 0.037,600 0.031,601 0.026,602 0.014,603 0.01,604 0.01,605 0.009,606 0.362,607 0.33,608 1,609 1.369,610 95.023,611 -0.088,613 0.038,614 0.098,615 -0.081,616 0.06,617 0.234,618 0.018,619 -0.005,620 -0.031,621 0.21,622 -0.038,623 -0.14,624 -0.005,625 -0.027,626 0.094,627 -0.148,628 0.045,629 -0.087,630 -0.011,631 0.007,632 -0.034,633 -0.151,634 -0.023,635 -0.003,636 -0.152,637 -0.097,638 -0.129,639 0.015,640 -0.109,641 0.135,642 -0.029,643 -0.072,644 -0.076,645 0.129,646 -0.071,647 -0.177,648 -0.081,649 -0.197,650 -0.171,651 -0.008,652 -0.138,653 0.045,654 -0.073,655 -0.164,656 -0.24,657 -0.13,658 -0.295,659 2.455,660 3.598,661 0.714,662 17.986,663 1.013,664 1.101,665 2.737,666 7.49,667 0.758,668 3.178,669 3.466,670 3.714,671 3.989,672 4.205,673 4.304,674 4.431,675 4.522,676 4.5,677 4.5,678 5.461,679 0.712,680 316.43,681 3.178,682 4.691,683 5.525,684 6.392,685 7.253,686 8.133,687 9.009,688 9.896,689 10.78,690 11.671,691 6.1,701 2,708 2,709 7,710 2,713 1,714 3,716 16,738 33,739 17,740 1,741 23,743 35,744 15,745 12,746 1,747 5,752 3,753 4,766 1,768 13,769 2,772 1,778 1,782 1,785 1,786 1,789 12,790 4,791 1,792 6,793 2,797 2,803 0.667,804 2,817 1,822 1,823 2,826 1,840 1,853 1,855 2,856 1,857 2,862 21,868 1,869 2,873 1,880 1,886 6.1,888 1,889 1,893 10.5,894 5.933,895 4.667,896 1.874,898 3.219,899 1.47,900 0.979,901 4.394,902 10.062,903 3.497,904 4.107,905 4.713,906 5.357,907 5.913,908 6.284,909 6.75,910 7.189,911 7.422,912 7.729,913 1,914 29,915 7.719,917 3.253,918 7.865,919 14.648,921 11.929,924 2.365,925 49.667,929 129.482,930 141.873,931 33.571,933 67.828,935 63.497,936 78.376,937 197.31,938 33.571,940 3.434,941 56.857,942 114.397,943 14.377,944 2.48,945 181.208,947 129.482,948 111.947,949 67.828,950 63.497,952 129.482,953 67.828,956 12.37,957 66.006,958 33.571,959 63.497,960 129.482,961 101.399,962 141.873,965 129.482,966 76.397,967 65.476,969 101.399,970 129.482,971 101.399,972 141.873,973 0.568,974 0.314,975 0.173,976 0.096,977 15,978 6,979 0.143,980 5,981 1,982 1.133,983 3.414,984 157.951,985 0.133,986 15,987 88.239,989 2,993 14.332,994 6.438,995 3.352,996 1.929,997 101.399,998 13.756,999 8.585,1002 1.624,1003 3.146,1005 42.683,1006 372.755,1007 32,1013 10.598,1017 -0.789,1020 33.429,1021 36.331,1022 0.353,1023 0.729,1024 0.842,1025 0.911,1026 0.928,1027 0.928,1028 4.691,1029 1,1030 5.485,1031 2.564,1032 4.143,1033 4.792,1034 3.295,1035 6.263,1036 4.005,1037 5.894,1038 1,1039 7.015,1040 2.464,1041 3.611,1042 4.543,1043 2.243,1044 7.111,1045 3.418,1046 7.192,1047 0.567,1048 8.65,1049 2.136,1050 5.687,1051 7.034,1052 5.242,1053 10.228,1054 5.425,1055 8.531,1056 -0.112,1057 10.352,1058 1.423,1059 6.019,1060 7.686,1061 4.112,1062 11.97,1063 5.683,1064 9.906,1065 -0.582,1066 12.098,1067 -0.266,1068 7.54,1069 9.614,1070 7.313,1071 14.582,1072 7.151,1073 11.309,1074 -0.769,1075 13.875,1076 -1.377,1077 8.288,1078 10.709,1079 5.889,1080 16.676,1081 7.811,1082 12.733,1083 -1,1084 15.674,1085 -1.772,1086 9.575,1087 12.396,1088 9.427,1089 19.115,1090 9.045,1091 3.143,1092 -1,1093 17.489,1094 -2,1095 10.528,1096 13.71,1097 7.625,1098 21.353,1099 9.903,1100 2.685,1101 10.556,1102 19.317,1103 -2.347,1104 11.717,1105 15.292,1106 11.56,1107 23.731,1108 11.033,1109 2.244,1110 8.725,1111 21.154,1112 4.54,1113 12.767,1114 16.711,1115 9.342,1116 26.03,1117 11.989,1118 2.065,1119 6.251,1120 22.999,1121 3.64,1122 13.919,1123 18.248,1124 13.706,1125 28.387,1126 13.074,1127 1.73,1128 5.156,1129 24.849,1130 2.904,1131 15.014,1132 19.716,1133 11.051,1134 30.714,1135 14.08,1136 1.439,1137 4.324,1138 26.704,1139 2.703,1140 16.154,1141 21.236,1142 15.858,1143 33.065,1144 15.146,1145 1.149,1146 3.501,1147 28.562,1148 2.521,1149 17.272,1150 22.726,1151 12.755,1152 35.405,1153 16.177,1154 4306,1155 8089,1156 15.603,1157 25.023,1158 34.428,1159 37.395,1160 34.679,1161 34.08,1162 34.041,1163 47.019,1164 10.582,1165 94.2,1166 31.602,1167 5.446,1168 6.434,1169 6.394,1170 5.223,1171 5.143,1172 7.54,1173 5.9,1174 17.427,1175 4.911,1176 8.393,1177 1.497,1178 1.626,1179 1.508,1180 1.482,1181 1.48,1182 2.044,1183 0.46,1184 4.096,1185 1.374,1186 4.074,1187 4.085,1188 4.353,1189 4.087,1190 7.474,1191 4.033,1192 3.823,1193 3.856,1194 3.874,1195 3.767,1196 6.351,1197 3.753,1198 3.622,1199 3.645,1200 3.733,1201 3.502,1202 5.044,1203 3.459,1204 3.254,1205 3.296,1206 3.418,1207 3.151,1208 4.746,1209 3.127,1210 3.034,1211 3.045,1212 3.163,1213 2.865,1214 4.255,1215 2.831,1216 2.854,1217 2.925,1218 2.787,1219 2.735,1220 3.983,1221 2.715,1222 2.764,1223 2.82,1224 2.687,1225 2.65,1226 3.708,1227 2.642,1228 2.663,1229 2.697,1230 2.645,1231 2.531,1232 3.674,1233 2.495,1234 0.2,1235 0.193,1236 0.287,1237 0.177,1238 0.137,1239 4.59,1240 0.197,1241 4.434,1242 0.128,1243 6.592,1244 0.459,1245 4.069,1246 0.127,1247 3.143,1248 4.54,1249 2.95,1250 10.556,1251 2.911,1252 1.911,1253 1.889,1254 2.018,1255 1.976,1256 1.122,1257 1.995,1258 1.795,1259 1.776,1260 1.808,1261 1.906,1262 1.095,1263 1.903,1264 1.543,1265 1.509,1266 1.733,1267 1.756,1268 0.899,1269 1.752,1270 1.333,1271 1.328,1272 1.358,1273 1.381,1274 0.571,1275 1.424,1276 0.886,1277 0.872,1278 1.181,1279 1.199,1280 0.218,1281 1.177,1282 0.874,1283 0.821,1284 1.064,1285 1.062,1286 0.198,1287 1.107,1288 0.836,1289 0.783,1290 1.035,1291 0.978,1292 0.082,1293 1.016,1294 0.653,1295 0.615,1296 0.718,1297 0.774,1299 0.833,1300 3.85,1302 5.142,1303 2.398,1304 6.627,1305 4.727,1306 8.205,1307 6.862,1308 9.836,1314 8.714,1315 0.643,1319 1.461,1326 23.481,1327 58.842,1328 121.304,1329 140.2,1330 151.71,1331 154.465,1332 154.465,1333 29.879,1334 6.844,1335 63.08,1336 116.62,1337 17,1338 12.201,1339 4.17,1340 3.322,1341 32.18,1342 67,1343 70,1344 0.239,1345 152.899,1346 253.76,1347 364.834,1348 7769,1350 14.656,1351 0.698,1352 0.603,1353 15.364,1354 12.655,1355 10.237,1356 0.445,1357 0.356,1358 6.481,1359 9.036,1360 6.182,1361 5.094,1362 11.1,1363 8.186,1364 9.069,1365 0.293,1366 0.209,1367 10.295,1368 6.481,1369 7.214,1370 0.18,1371 0.125,1372 8.663,1373 5.005,1374 6.105,1375 0.115,1376 0.074,1377 7.834,1378 3.9,1379 4.867,1380 0.074,1381 0.041,1382 6.381,1383 2.71,1384 0.369,1385 72.11,1386 0.253,1387 20.878,1388 0.667,1389 108,1390 342.896,1391 164.943,1392 374.632,1393 503.89,1394 350,1395 125,1396 330.396,1397 173.078,1398 363.645,1399 531.8,1400 342,1401 6.192}
{0 CHEMBL1417204,1 1.526,2 8.789,3 3.719,4 13.831,5 72.522,6 8.973,7 0.6,8 3.435,9 3.511,10 3.151,11 3.094,12 4.815,13 3.088,14 3.836,15 3.924,16 3.432,17 3.405,18 5.383,19 3.389,20 4.04,21 4.197,22 3.426,23 3.439,24 5.428,25 3.406,26 3.979,27 4.142,28 3.251,29 3.211,30 5.446,31 3.201,32 3.655,33 3.77,34 3.127,35 2.975,36 5.315,37 3.01,38 3.472,39 3.564,40 2.935,41 2.876,42 5.046,43 2.886,44 3.44,45 3.545,46 2.94,47 2.912,48 4.83,49 2.894,50 3.621,51 3.774,52 2.946,53 2.913,54 5.312,55 2.871,56 0.118,57 0.327,58 3.277,59 2.183,60 8.401,61 2.375,62 0.167,63 0.476,64 5.379,65 3.523,66 40.845,67 3.764,68 0.161,69 0.621,70 9.153,71 4.629,72 26.123,73 5.356,74 0.29,75 0.569,76 10.316,77 4.354,78 64.273,79 4.435,80 0.199,81 0.395,82 6.438,83 2.915,84 40.575,85 2.602,86 0.173,87 0.318,88 4.786,89 2.387,90 40.945,91 1.946,92 0.118,93 0.324,94 4.002,95 2.336,96 18.519,97 2.436,98 0.288,99 0.394,100 6.533,101 3.034,102 68.767,103 3.52,104 11,105 26,106 0.287,107 0.494,108 0.631,109 0.796,110 0.836,111 0.836,112 3.009,113 0.829,114 -4.83,115 -4.74,116 -4.45,120 53.6,142 2,143 9,144 2,145 1,158 1,167 2,174 12,176 1,177 4,185 14,189 9,197 11,201 9,209 7,214 8,222 8,227 3,235 8,239 1,240 2,247 8,251 2,252 4,260 6,264 6,271 3,274 414,275 12.69,276 12.69,277 12.69,278 12.69,279 12.69,280 10.636,281 9.586,282 7.72,283 12.716,284 9.862,285 9.862,286 9.862,287 9.862,288 9.862,289 6.774,290 9.352,291 3.659,292 9.876,293 3.282,294 2.181,295 1.447,296 0.571,297 0.357,298 0.357,299 3.667,306 1,307 1,308 345,309 3.082,313 135.209,320 1.296,321 24.14,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.5,333 167,334 4.345,335 3.782,336 6.023,337 3.836,338 2.835,339 4.01,340 2.612,341 8.569,342 2.859,343 4.211,344 3.707,345 5.972,346 3.766,347 2.765,348 3.745,349 1.661,350 8.438,351 2.741,352 3.884,353 2.885,354 5.238,355 3.27,356 2.283,357 3.316,359 6.525,360 2.251,361 3.445,362 2.197,363 4.289,364 2.825,365 1.805,366 2.698,368 4.194,369 1.836,370 3.088,371 1.955,372 3.778,373 2.388,374 1.389,375 2.178,377 3.079,378 1.388,379 2.787,380 1.324,381 3.485,382 2.139,383 1.128,384 1.718,386 2.622,387 1.139,388 2.584,389 1.253,390 3.435,391 2,392 1,393 1.583,395 2.323,396 1,397 2.5,398 1.11,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.435,407 1,408 2.939,409 1.464,410 0.426,411 0.801,413 0.974,414 0.44,415 1,416 1,417 2.236,418 0.448,419 -0.561,420 -0.75,422 -1.342,423 -0.564,424 0.882,425 0.241,426 2,427 0.28,428 -0.748,429 -1.072,431 -1.613,432 -0.753,433 0.751,434 -0.474,435 1.679,436 0.205,437 -0.794,438 -1.184,440 -2,441 -0.803,442 0.666,443 -0.563,444 1.555,446 -1,447 -1.5,449 -2.18,450 -1,451 0.5,452 -0.897,453 1.442,455 -1,456 -1.706,458 -2.347,459 -1,460 0.256,461 -1,462 1.328,463 -0.17,464 -1.205,465 -2,467 -3.079,468 -1.246,469 8.9,470 0.468,471 0.421,472 0.022,473 29.5,474 1.553,475 18.5,476 0.974,477 11,478 0.579,479 8.887,480 0.468,481 18.7,482 0.668,483 19.886,484 1.047,485 6.156,486 0.324,487 3.009,488 0.158,489 0.112,491 0.27,496 0.28,497 0.755,498 0.589,499 0.756,500 0.498,501 0.766,502 0.456,503 1.053,504 0.782,505 1.057,506 0.452,507 1.026,508 0.655,509 1.081,510 0.868,511 1.103,512 0.576,513 1.054,514 1.332,515 0.97,516 1.093,517 0.955,518 1.368,519 0.958,520 1.535,521 0.929,522 0.993,523 0.914,524 1.506,525 0.83,526 1.571,527 0.924,528 1.203,529 0.921,530 1.589,531 0.958,532 0.726,533 1.116,534 0.978,535 1.16,536 0.864,537 1.153,538 0.496,539 1.118,540 0.962,541 1.114,542 0.492,543 1.158,544 3.5,545 0.037,546 2,547 0.938,548 0.693,549 0.535,550 0.184,551 0.16,552 0.131,553 0.081,554 3320,555 12143,556 1.995,557 32.1,559 9,567 1.598,568 1.869,569 3.165,570 -0.776,572 1,574 1,575 42.718,576 1.526,577 2.627,578 3.36,579 4.236,580 4.45,581 4.45,582 2.524,583 3.616,584 4.224,585 3.281,586 560.97,587 7.169,588 5706.77,589 1,590 1,592 1,593 134.606,594 1.384,595 4.178,596 0.175,597 0.006,598 0.077,599 0.038,600 0.035,601 0.03,602 0.012,603 0.011,604 0.009,605 0.008,606 0.4,607 0.5,608 1,609 0.868,610 83.817,611 0.261,612 0.218,613 0.041,614 0.111,615 -0.015,616 0.025,617 0.177,618 -0.146,619 -0.068,620 -0.153,621 0.184,622 -0.174,623 0.014,624 -0.127,625 0.055,626 -0.142,627 0.072,628 -0.056,629 -0.204,630 -0.007,631 -0.024,632 0.041,633 -0.22,634 0.055,635 -0.262,636 0.024,637 -0.031,638 0.039,639 -0.193,640 0.065,641 -0.349,642 -0.003,643 -0.333,644 0.015,645 -0.309,646 -0.114,647 0.059,648 -0.177,649 -0.179,650 -0.246,651 -0.091,652 -0.28,653 0.44,654 -0.172,655 0.051,656 -0.13,657 0.448,658 -0.146,659 2.496,660 4.729,661 0.632,662 12.831,663 1.022,664 1.1,665 3.603,666 12.98,667 0.729,668 3.045,669 3.296,670 3.466,671 3.584,672 3.738,673 3.555,674 3.584,675 3.466,676 3.497,677 3.497,678 5.376,679 0.724,680 251.25,681 3.045,682 4.533,683 5.333,684 6.159,685 6.976,686 7.803,687 8.626,688 9.453,689 10.277,690 11.104,691 3.6,702 1,709 9,714 3,716 12,721 1,731 1,738 28,739 16,740 2,741 20,743 29,744 15,745 12,746 3,747 9,748 1,752 2,753 2,767 2,768 13,772 3,775 1,778 3,782 1,786 1,789 9,790 3,792 4,797 1,803 1,804 3,823 2,830 2,855 2,862 19,877 1,884 2,886 10.7,889 1,892 2,893 10.167,894 5.2,895 4.306,896 1.575,898 3.277,899 1.542,900 0.957,901 3.827,902 9.32,903 3.466,904 4.025,905 4.575,906 5.051,907 5.594,908 5.731,909 6.128,910 6.351,911 6.64,912 6.984,913 0.833,914 25,915 6.951,917 2.902,918 8.272,919 12.568,921 9.641,924 2.772,925 52.667,929 105.94,930 133.609,931 5.67,933 75.892,936 133.609,937 181.832,938 5.67,939 5.67,941 85.286,942 30.278,943 9.128,944 34.061,945 105.94,946 50.747,947 105.94,948 139.279,949 75.892,952 105.94,953 25.145,954 50.747,957 99.548,958 39.731,960 105.94,961 81.562,962 133.609,965 105.94,966 14.261,967 90.956,968 34.061,969 75.892,970 105.94,971 81.562,972 133.609,973 0.569,974 0.321,975 0.157,976 0.085,977 11,978 5,979 0.069,980 2,982 1,983 3.195,984 126.475,986 12,987 74.711,993 12.697,994 5.726,995 3.353,997 75.892,998 14.535,1003 0.901,1006 321.111,1007 31,1010 -0.496,1013 32.936,1017 -0.313,1020 28.618,1021 30.787,1022 0.317,1023 0.546,1024 0.699,1025 0.881,1026 0.926,1027 0.926,1028 4.654,1029 1,1030 5.283,1031 2.323,1032 3.97,1033 4.71,1034 2.875,1035 5.994,1036 3.97,1037 5.879,1038 0.426,1039 6.788,1040 2.136,1041 3.434,1042 4.35,1043 2.361,1044 6.727,1045 3.434,1046 7.18,1047 -0.561,1048 8.394,1049 0.974,1050 5.468,1051 6.895,1052 4.369,1053 9.742,1054 5.464,1055 8.515,1056 -0.748,1057 10.06,1058 -1.342,1059 5.74,1060 7.342,1061 4.506,1062 11.288,1063 5.739,1064 9.878,1065 -0.794,1066 11.763,1067 -1.613,1068 7.238,1069 9.323,1070 6.052,1071 13.78,1072 7.233,1073 11.26,1074 -1,1075 13.49,1076 -2,1077 7.886,1078 10.164,1079 6.556,1080 15.653,1081 7.886,1082 12.658,1083 -1,1084 15.234,1085 -2.18,1086 9.141,1087 11.873,1088 7.841,1089 17.943,1090 9.139,1091 2.835,1092 -1.205,1093 16.99,1094 -2.347,1095 9.978,1096 12.932,1097 8.548,1098 19.96,1099 9.981,1100 2.765,1101 8.569,1102 18.753,1103 -3.079,1104 11.116,1105 14.493,1106 9.69,1107 22.165,1108 11.12,1109 2.283,1110 8.438,1111 20.522,1112 4.01,1113 12.048,1114 15.68,1115 10.509,1116 24.248,1117 12.056,1118 1.805,1119 6.525,1120 22.296,1121 3.745,1122 13.13,1123 17.158,1124 11.572,1125 26.417,1126 13.141,1127 1.389,1128 4.194,1129 24.072,1130 3.316,1131 14.11,1132 18.42,1133 12.452,1134 28.531,1135 14.126,1136 1.128,1137 3.079,1138 25.851,1139 2.698,1140 15.165,1141 19.852,1142 13.471,1143 30.684,1144 15.185,1145 1,1146 2.622,1147 27.632,1148 2.178,1149 16.17,1150 21.159,1151 14.386,1152 32.812,1153 16.195,1154 3359,1155 6545,1156 13.118,1157 20.415,1158 30.658,1159 31.326,1160 30.014,1161 29.288,1162 29.264,1163 43.097,1164 8.548,1165 77.72,1166 29.306,1167 4.972,1168 5.782,1169 5.825,1170 4.836,1171 4.835,1172 7.01,1173 4.612,1174 14.529,1175 4.859,1176 9.113,1177 1.533,1178 1.566,1179 1.501,1180 1.464,1181 1.463,1182 2.155,1183 0.427,1184 3.886,1185 1.465,1186 4.004,1187 4.026,1188 3.969,1189 3.916,1190 7.815,1191 3.919,1192 3.901,1193 3.925,1194 3.846,1195 3.823,1196 7.43,1197 3.822,1198 3.54,1199 3.553,1200 3.521,1201 3.334,1202 6.999,1203 3.359,1204 3.339,1205 3.349,1206 3.293,1207 3.014,1208 4.839,1209 3.099,1210 2.92,1211 2.957,1212 2.834,1213 2.815,1214 4.713,1215 2.813,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.383,1221 2.715,1222 2.649,1223 2.705,1224 2.516,1225 2.485,1226 3.674,1227 2.487,1228 2.546,1229 2.602,1230 2.412,1231 2.313,1232 3.594,1233 2.356,1234 0.217,1235 0.189,1236 0.301,1237 0.192,1238 0.142,1239 4.345,1240 0.201,1241 3.782,1242 0.131,1243 6.023,1244 0.428,1245 3.836,1246 0.143,1247 2.835,1248 4.01,1249 2.612,1250 8.569,1251 2.859,1252 1.946,1253 1.927,1254 2.036,1255 2.082,1256 1.089,1257 2.049,1258 1.887,1259 1.862,1260 1.997,1261 1.983,1262 1.063,1263 1.99,1264 1.387,1265 1.379,1266 1.437,1267 1.678,1268 0.321,1269 1.582,1270 1.16,1271 1.133,1272 1.268,1273 1.442,1274 0.218,1275 1.412,1276 0.915,1277 0.878,1278 1.181,1279 1.062,1280 0.213,1281 1.107,1282 0.886,1283 0.821,1284 1.123,1285 1.059,1286 0.18,1287 1.082,1288 0.62,1289 0.571,1290 0.868,1291 0.847,1293 0.866,1294 0.496,1295 0.446,1296 0.763,1297 0.758,1299 0.783,1300 3.714,1302 4.977,1304 6.435,1306 7.971,1308 9.546,1325 5.104,1326 20.273,1327 42.718,1328 73.547,1329 94.077,1330 118.606,1331 124.606,1332 124.606,1333 36.563,1334 6.043,1335 62.89,1336 62.89,1337 12,1338 11.679,1339 4.087,1340 3.585,1341 33.822,1342 62,1343 50,1344 0.271,1345 129.378,1346 232.51,1347 307.442,1348 2845,1350 13.665,1351 0.719,1352 0.519,1353 13.665,1354 9.868,1355 9.165,1356 0.458,1357 0.276,1358 5.467,1359 8.848,1360 5.355,1361 4.485,1362 9.165,1363 5.525,1364 7.989,1365 0.307,1366 0.144,1367 7.989,1368 3.753,1369 6.251,1370 0.202,1371 0.078,1372 6.251,1373 2.413,1374 4.638,1375 0.133,1376 0.043,1377 4.638,1378 1.488,1379 3.684,1380 0.09,1381 0.023,1382 3.684,1383 0.928,1384 0.427,1385 57.464,1386 0.276,1387 19.316,1388 0.731,1389 92,1390 348.852,1391 100.28,1392 339.365,1393 441.31,1394 310,1395 103,1396 313.001,1397 110.812,1398 315.153,1399 445.93,1400 294,1401 5.965}
{0 CHEMBL1417851,1 1.607,2 10.75,3 3.363,4 11.308,5 95.641,6 8.961,7 0.44,8 3.86,9 3.958,10 3.579,11 3.399,12 4.989,13 3.371,14 4.396,15 4.561,16 3.967,17 3.745,18 5.505,19 3.702,20 4.532,21 4.691,22 4.138,23 3.897,24 5.713,25 3.827,26 4.675,27 4.845,28 4.182,29 3.897,30 5.866,31 3.809,32 4.698,33 4.922,34 3.793,35 3.75,36 5.88,37 3.659,38 4.629,39 4.866,40 3.659,41 3.67,42 5.682,43 3.566,44 4.418,45 4.608,46 3.804,47 3.57,48 5.667,49 3.486,50 4.355,51 4.597,52 3.675,53 3.498,54 5.449,55 3.394,56 0.044,57 0.564,58 7.04,59 4.301,60 6.985,61 5.173,62 0.382,63 0.888,64 18.287,65 6.985,66 33.185,67 8.404,68 0.432,69 1.024,70 24.048,71 8.268,72 37.509,73 9.77,74 0.42,75 1.099,76 35.06,77 10.173,78 48.565,79 11.933,80 0.582,81 1.079,82 31.004,83 9.45,84 82.991,85 11.793,86 0.592,87 0.956,88 35.904,89 9.255,90 69.059,91 11.06,92 0.511,93 0.818,94 22.498,95 7.318,96 56.989,97 8.767,98 0.461,99 0.759,100 23.34,101 7.096,102 52.001,103 8.874,104 40,105 34,106 0.281,107 0.598,108 0.789,109 0.843,110 0.875,111 0.875,112 3.228,113 1.002,114 -3.79,115 -3.75,116 -3.57,118 1,120 40.9,121 2,125 1,126 3,143 5,144 2,145 1,153 2,158 1,159 1,174 5,176 1,177 7,185 8,188 2,189 4,197 6,200 1,201 8,209 2,213 2,214 10,222 1,227 3,235 2,239 2,240 5,247 5,251 1,252 3,260 6,264 3,271 5,274 826,275 15.82,276 15.82,277 15.82,278 15.82,279 15.82,280 14.105,281 14.37,282 9.437,283 16.332,284 12.223,285 12.223,286 12.223,287 12.223,288 12.223,289 9.58,290 11.277,291 4.358,292 12.961,293 3.852,294 2.041,295 0.952,296 0.642,297 0.461,298 0.461,299 3.884,306 1,307 1,308 526,309 3.742,312 76.867,313 92.898,320 1.688,321 28.55,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 52.25,333 258,334 4.556,335 3.748,336 6.75,337 4.164,338 3.194,339 4.274,340 1.797,341 10.898,342 3.108,343 4.31,344 3.618,345 6.385,346 3.908,347 2.951,348 3.916,349 1.338,350 9.621,351 2.798,352 3.763,353 3.134,354 5.851,355 3.437,356 2.451,357 3.049,358 0.86,359 7.793,360 2.401,361 3.405,362 2.892,363 4.922,364 2.947,365 2.018,366 2.645,368 5.369,369 1.831,370 3.029,371 2.207,372 4.805,373 2.684,374 1.706,375 2.176,377 4.755,378 1.666,379 2.862,380 2.088,381 4.316,382 2.537,383 1.597,384 2.017,386 3.909,387 1.49,388 2.797,389 1.733,390 3.827,391 2.343,392 1.414,393 1.831,395 3.081,396 1.216,397 2.573,398 1.654,399 3.585,400 2.163,401 1.245,402 1.557,404 2.761,405 1.126,406 2.395,407 1.621,408 3.513,409 2.019,410 1.036,411 1.359,413 2.436,414 1.003,415 1.698,416 1.314,417 2.948,418 1.401,419 0.479,420 0.516,422 0.938,423 0.434,424 1.489,425 0.893,426 2.626,427 1.207,428 0.24,429 0.297,431 0.485,432 0.221,433 1.092,434 0.446,435 2.369,436 0.668,437 -0.262,438 -0.283,440 -0.48,441 -0.155,442 0.819,443 0.301,444 2.153,445 0.559,446 -0.287,447 -0.355,449 -0.593,450 -0.256,451 0.635,452 0.249,453 2,454 0.218,455 -0.8,456 -0.961,458 -2.015,459 -0.79,460 0.535,461 -0.365,462 1.879,463 0.136,464 -0.848,465 -1.187,467 -2.024,468 -0.823,469 12.067,470 0.503,471 0.634,472 0.026,473 27.75,474 1.156,475 13,476 0.542,477 14.75,478 0.615,479 22.202,480 0.925,481 26.333,482 0.598,483 19.932,484 0.83,485 5.742,486 0.239,487 5.71,488 0.238,489 0.29,491 0.323,496 0.715,497 1.378,498 0.51,499 1.005,500 0.568,501 0.985,502 1.043,503 0.964,504 0.581,505 0.686,506 0.645,507 0.734,508 0.975,509 0.956,510 0.963,511 0.91,512 0.923,513 0.949,514 0.945,515 1.347,516 1.029,517 1.337,518 1.152,519 1.251,520 1.098,521 0.964,522 0.558,523 0.871,524 1.068,525 0.942,526 1.443,527 0.71,528 0.78,529 0.719,530 1.323,531 0.769,532 1.096,533 1.026,534 0.603,535 0.926,536 1.348,537 1.001,538 1.004,539 0.665,540 0.571,541 0.543,542 1.227,543 0.614,544 4.5,545 0.09,546 3.556,547 2.639,548 1.317,549 0.702,550 0.457,551 0.335,552 0.235,553 0.204,554 5986,555 19086,556 1.925,557 45.5,559 14,563 6,567 1.668,568 1.756,569 3.373,570 -0.74,571 1,572 1,575 70.718,576 1.607,577 3.418,578 4.508,579 4.817,580 4.999,581 4.999,582 2.907,583 4.418,584 4.556,585 3.537,586 976.142,587 7.855,588 11727.9,590 1,592 1,593 240.215,594 1.555,595 4.483,596 0.18,597 0.006,598 0.105,599 0.073,600 0.041,601 0.026,602 0.019,603 0.015,604 0.011,605 0.011,606 0.487,607 0.5,608 1,609 1.264,610 115.293,611 -0.019,612 -0.217,613 0.007,614 -0.097,615 -0.041,616 -0.043,617 -0.031,618 0.112,619 0.054,620 0.201,621 0.032,622 0.19,623 -0.017,624 0.156,625 -0.025,626 0.053,627 0.006,628 -0.013,629 0.051,630 -0.357,631 -0.021,632 -0.341,633 -0.001,634 -0.281,635 0.016,636 -0.006,637 0.01,638 -0.031,639 0.106,640 -0.012,641 -0.209,642 0.181,643 -0.013,644 0.183,645 -0.124,646 0.186,647 0.072,648 -0.065,649 0.053,650 -0.041,651 0.011,652 -0.068,653 0.028,654 0.259,655 0.129,656 0.352,657 -0.025,658 0.359,659 2.191,660 5.392,661 0.458,662 20.701,663 1.011,664 1.121,665 2.56,666 6.551,667 0.677,668 3.258,669 3.555,670 3.807,671 3.989,672 4.043,673 3.951,674 3.892,675 3.871,676 3.871,677 3.85,678 6.266,679 0.64,680 394.29,681 3.258,682 4.779,683 5.617,684 6.482,685 7.34,686 8.211,687 9.078,688 9.952,689 10.822,690 11.698,691 2.3,699 1,709 5,714 5,715 1,716 11,721 1,726 1,737 1,738 44,739 13,740 1,741 25,742 1,743 45,744 18,745 10,746 2,747 4,748 2,752 2,753 2,759 2,768 12,769 6,772 2,778 2,782 2,786 1,789 20,790 4,792 6,793 1,797 1,803 1,804 4,818 1,822 1,823 1,854 1,855 2,858 1,859 3,862 24,869 3,872 2,885 1,886 9.1,889 2,890 1,891 1,893 13.667,894 8.926,895 5.5,896 2.486,898 1.891,899 1.292,900 0.932,901 6.636,902 8.377,903 3.512,904 4.073,905 4.616,906 5.096,907 5.384,908 5.358,909 5.352,910 5.344,911 5.473,912 5.673,913 1,914 36,915 8.896,917 3.637,918 7.913,919 16.664,921 12.876,924 2.413,925 57.917,928 1,929 235.422,930 114.47,931 47.853,933 72.29,936 160.424,937 307.712,938 1.899,939 28.533,940 11.29,941 47.381,942 73.615,943 22.325,944 5.513,945 235.422,946 45.954,947 235.422,948 116.369,949 72.29,951 45.954,952 235.422,953 61.29,954 11,956 30.84,957 85.529,959 45.954,960 235.422,961 74.189,962 160.424,965 235.422,966 38.555,967 77.814,968 45.954,969 72.29,970 235.422,971 74.189,972 160.424,973 0.574,974 0.346,975 0.181,976 0.091,977 14,978 8,979 0.178,980 8,982 1,983 3.526,984 180.409,986 11,987 110.039,993 18.75,994 8.495,995 4.498,997 72.29,998 8.766,1003 3.441,1004 2.02,1006 470.035,1007 32.5,1013 24.466,1017 -0.74,1020 44.476,1021 49.33,1022 0.294,1023 0.626,1024 0.826,1025 0.882,1026 0.916,1027 0.916,1028 4.734,1029 1.245,1030 5.609,1031 3.081,1032 4.234,1033 4.758,1034 2.527,1035 6.428,1036 4.136,1037 5.943,1038 1.036,1039 7.188,1040 2.761,1041 3.892,1042 4.663,1044 7.398,1045 3.76,1046 7.257,1047 0.479,1048 8.873,1049 2.436,1050 5.832,1051 6.94,1052 3.38,1053 10.505,1054 5.668,1055 8.612,1056 0.24,1057 10.62,1058 0.938,1059 6.33,1060 7.687,1062 12.308,1063 6.136,1064 10.002,1065 -0.262,1066 12.405,1067 0.485,1068 7.759,1069 9.461,1070 4.391,1071 14.935,1072 7.537,1073 11.417,1074 -0.287,1075 14.216,1076 -0.48,1077 8.626,1078 10.579,1080 17.062,1081 8.371,1082 12.852,1083 -0.8,1084 16.046,1085 -0.593,1086 9.867,1087 12.157,1088 5.48,1089 19.523,1090 9.584,1091 3.194,1092 -0.848,1093 17.889,1094 -2.015,1095 10.891,1096 13.442,1098 21.785,1099 10.576,1100 2.951,1101 10.898,1102 19.742,1103 -2.024,1104 12.064,1105 14.938,1106 6.609,1107 24.186,1108 11.721,1109 2.451,1110 9.621,1111 21.602,1112 4.274,1113 13.154,1114 16.301,1116 26.507,1117 12.78,1118 2.018,1119 7.793,1120 23.469,1121 3.916,1122 14.304,1123 17.762,1124 7.758,1125 28.888,1126 13.901,1127 1.706,1128 5.369,1129 25.34,1130 3.049,1131 15.423,1132 19.162,1134 31.237,1135 14.991,1136 1.597,1137 4.755,1138 27.215,1139 2.645,1140 16.566,1141 20.609,1142 8.917,1143 33.612,1144 16.107,1145 1.414,1146 3.909,1147 29.094,1148 2.176,1149 17.699,1150 22.028,1152 35.975,1153 17.212,1154 6127,1155 11093,1156 15.72,1157 29.79,1158 37.155,1159 39.103,1160 39.404,1161 36.849,1162 36.663,1163 47.271,1164 7.99,1165 104.094,1166 34.587,1167 5.463,1168 5.748,1169 6.609,1170 5.227,1171 5.194,1172 7.274,1173 3.595,1174 18.138,1175 5.108,1176 14.995,1177 1.486,1178 1.564,1179 1.576,1180 1.474,1181 1.467,1182 1.891,1183 0.32,1184 4.164,1185 1.383,1186 4.045,1187 4.083,1188 6.88,1189 3.923,1190 7.436,1191 3.935,1192 3.913,1193 3.928,1194 3.997,1195 3.869,1196 7.423,1197 3.855,1198 3.55,1199 3.58,1200 3.773,1201 3.319,1202 4.76,1203 3.342,1204 3.435,1205 3.469,1206 3.45,1207 3.186,1208 4.719,1209 3.204,1210 3.21,1211 3.29,1212 3.298,1213 3.031,1214 4.583,1215 3.024,1216 3.151,1217 3.187,1218 3.119,1219 2.953,1220 4.343,1221 2.951,1222 3.049,1223 3.138,1224 2.942,1225 2.862,1226 3.863,1227 2.791,1228 2.87,1229 2.915,1230 2.778,1231 2.808,1232 3.78,1233 2.782,1234 0.182,1235 0.15,1236 0.27,1237 0.167,1238 0.128,1239 4.556,1240 0.171,1241 3.748,1242 0.072,1243 6.75,1244 0.436,1245 4.164,1246 0.124,1247 3.194,1248 4.274,1249 1.797,1250 10.898,1251 3.108,1252 1.893,1253 1.878,1254 1.967,1255 1.971,1256 1.143,1257 1.977,1258 1.725,1259 1.683,1260 1.902,1261 1.938,1262 1.08,1263 1.93,1264 1.668,1265 1.632,1266 1.817,1267 1.81,1268 0.961,1269 1.808,1270 1.365,1271 1.306,1272 1.677,1273 1.643,1274 0.796,1275 1.653,1276 1.285,1277 1.246,1278 1.559,1279 1.549,1280 0.68,1281 1.55,1282 1.073,1283 1.02,1284 1.495,1285 1.354,1286 0.557,1287 1.409,1288 1.047,1289 0.964,1290 1.245,1291 1.292,1292 0.323,1293 1.265,1294 0.873,1295 0.83,1296 1.16,1297 1.059,1298 0.227,1299 1.101,1300 3.932,1302 5.231,1303 2.398,1304 6.723,1305 4.844,1306 8.303,1307 7.002,1308 9.93,1309 3.296,1310 5.458,1315 0.966,1318 10.243,1326 28.174,1327 70.718,1328 150.392,1329 198.341,1330 211.95,1331 219.95,1332 219.95,1333 57.097,1334 6.486,1335 57.53,1336 57.53,1337 11,1338 12.238,1339 3.807,1340 3.087,1341 48.572,1342 90,1343 95,1344 0.265,1345 182.847,1346 320.4,1347 437.907,1348 4934,1349 2.3,1350 17.69,1351 0.737,1352 0.648,1353 18.69,1354 15.552,1355 11.452,1356 0.458,1357 0.334,1358 7.473,1359 10.38,1360 7.121,1361 5.941,1362 12.029,1363 8.352,1364 10,1365 0.294,1366 0.184,1367 10.741,1368 6.263,1369 8.334,1370 0.189,1371 0.103,1372 9.05,1373 4.513,1374 6.536,1375 0.123,1376 0.056,1377 7.236,1378 2.97,1379 4.605,1380 0.082,1381 0.03,1382 4.963,1383 1.667,1384 0.42,1385 80.889,1386 0.252,1387 23.637,1388 0.717,1389 118,1390 411.242,1391 196.804,1392 419.452,1393 542.87,1394 390,1395 137,1396 347.709,1397 183.714,1398 365.274,1399 530.75,1400 339,1401 6.796}
{0 CHEMBL1417867,1 1.557,2 10.957,3 2.288,4 5.233,5 82.395,6 7.884,7 0.48,8 3.815,9 3.901,10 3.406,11 3.309,12 5.021,13 3.324,14 4.314,15 4.435,16 3.756,17 3.666,18 5.506,19 3.668,20 4.604,21 4.766,22 3.833,23 3.749,24 5.902,25 3.733,26 4.56,27 4.748,28 3.568,29 3.63,30 5.739,31 3.574,32 4.45,33 4.677,34 3.369,35 3.51,36 5.479,37 3.428,38 4.346,39 4.573,40 3.323,41 3.376,42 5.484,43 3.316,44 4.204,45 4.407,46 3.26,47 3.276,48 5.414,49 3.239,50 4.081,51 4.263,52 3.21,53 3.235,54 5.345,55 3.189,56 0.137,57 0.529,58 7.683,59 3.822,60 17.388,61 4.259,62 0.288,63 0.832,64 13.957,65 6.154,66 26.896,67 7.171,68 0.785,69 1.014,70 21.795,71 7.692,72 78.403,73 9.372,74 0.691,75 0.957,76 21.806,77 7.296,78 78.757,79 9.06,80 0.487,81 0.874,82 20.277,83 6.702,84 58.731,85 8.913,86 0.492,87 0.773,88 18.566,89 5.86,90 54.44,91 7.78,92 0.453,93 0.664,94 15.677,95 5.022,96 54.728,97 6.317,98 0.374,99 0.594,100 13.054,101 4.782,102 54.573,103 5.947,104 10,105 34,106 0.277,107 0.623,108 0.768,109 0.855,110 0.886,111 0.912,112 3.187,113 0.876,114 -2.3,115 -2.33,116 -2.3,120 42.5,122 1,126 2,128 1,143 7,144 1,145 4,159 1,174 7,177 2,180 1,182 3,185 6,188 2,189 4,192 1,193 1,194 5,197 3,200 1,201 3,204 1,206 5,214 3,219 3,227 6,231 1,232 2,240 5,244 1,245 1,247 1,252 3,255 1,260 3,264 1,267 2,271 5,274 718,275 15.499,276 15.499,277 15.499,278 15.499,279 15.499,280 13.789,281 17.514,282 9.192,283 15.828,284 12.316,285 12.316,286 12.316,287 12.316,288 12.316,289 9.757,290 17.712,291 4.362,292 12.892,293 3.765,294 1.824,295 1.01,296 0.519,297 0.35,298 0.2,299 3.87,305 1,306 1,307 1,308 543,309 3,313 207.861,317 108.332,320 1.618,321 32.411,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51.5,333 252,334 4.25,335 3.786,336 6.25,337 3.911,338 2.975,339 3.869,340 2.03,341 9.416,342 2.779,343 4.214,344 3.192,345 5.951,346 3.795,347 2.829,348 3.82,349 0.892,350 8.322,351 2.731,352 3.863,353 3.068,354 5.896,355 3.571,356 2.59,357 3.066,358 0.86,359 8.141,360 2.526,361 3.517,362 2.531,363 5.208,364 3.194,365 2.219,366 2.819,367 0.141,368 6.416,369 2.152,370 2.95,371 2.286,372 4.452,373 2.562,374 1.618,375 2.119,377 4.445,378 1.522,379 2.919,380 2.115,381 4.198,382 2.528,383 1.609,384 2.05,386 3.91,387 1.465,388 2.82,389 1.719,390 4.042,391 2.372,392 1.414,393 1.949,395 3.525,396 1.347,397 2.611,398 1.506,399 3.611,400 2.331,401 1.359,402 1.603,404 2.966,405 1.314,406 2.188,407 1.46,408 3.34,409 1.942,410 0.952,411 1.096,413 2.137,414 0.932,415 1.866,416 1.02,417 3.146,418 1.544,419 0.639,420 0.758,422 1.497,423 0.572,424 1.46,425 0.69,426 2.701,427 1.143,428 0.208,429 0.247,431 0.453,432 0.192,433 0.968,434 0.323,435 2.378,436 0.693,437 -0.252,438 -0.286,440 -0.592,441 -0.235,442 0.831,443 0.125,444 2.319,445 0.459,446 -0.486,447 -0.591,449 -1.147,450 -0.449,451 0.689,452 -0.21,453 2.139,454 0.312,455 -0.618,456 -0.729,458 -1.599,459 -0.565,460 0.668,461 -0.331,462 2,463 0.268,464 -0.703,465 -0.896,467 -1.75,468 -0.67,469 10.567,470 0.459,471 0.541,472 0.024,473 30.25,474 1.315,475 15.5,476 0.674,477 14.75,478 0.641,479 15.653,480 0.681,481 25.433,482 0.636,483 21.501,484 0.935,485 6.219,486 0.27,487 4.912,488 0.214,489 0.095,491 0.331,496 0.92,497 1.135,498 0.774,499 1.034,500 0.84,501 0.891,502 0.925,503 1.205,504 0.879,505 1.173,506 0.652,507 1.041,508 0.994,509 1.032,510 0.999,511 1.031,512 0.885,513 1.017,514 1.173,515 1.082,516 1.203,517 1.065,518 1.262,519 1.128,520 0.99,521 1.055,522 1.04,523 0.986,524 0.978,525 1.017,526 1.036,527 0.958,528 0.973,529 0.896,530 1.052,531 0.911,532 1.206,533 0.862,534 1.049,535 0.863,536 1.424,537 0.898,538 0.961,539 0.995,540 1.01,541 1.06,542 0.916,543 1.048,544 4.5,545 0.087,546 2.889,547 1.125,548 1.169,549 0.549,550 0.326,551 0.205,552 0.168,553 0.148,554 6329,555 19700,556 2.067,557 42.5,559 12,562 3,564 2,567 1.65,568 1.944,569 3.435,570 1.032,571 1,572 1,574 1,575 62.294,576 1.557,577 3.498,578 4.312,579 4.803,580 4.972,581 5.122,582 2.893,583 4.35,584 4.499,585 3.573,586 904.001,587 7.706,588 10741.5,589 1,590 1,592 1,593 212.877,594 1.371,595 4.458,596 0.18,597 0.006,598 0.085,599 0.033,600 0.047,601 0.026,602 0.016,603 0.011,604 0.009,605 0.009,606 0.422,607 0.33,608 1,609 0.58,610 109.958,611 -0.126,612 0.009,613 0.004,614 0.038,615 -0.13,616 0.056,617 -0.058,618 -0.118,619 -0.031,620 -0.144,621 -0.011,622 -0.092,623 0.099,624 -0.034,625 -0.029,626 -0.065,627 0.075,628 -0.078,629 -0.105,630 -0.111,631 -0.208,632 -0.116,633 -0.148,634 -0.179,635 -0.118,636 -0.096,637 -0.039,638 -0.035,639 -0.085,640 -0.02,641 -0.08,642 -0.003,643 0.053,644 0.04,645 -0.028,646 0.073,647 -0.146,648 0.109,649 -0.032,650 0.075,651 -0.149,652 0.059,653 0.003,654 -0.025,655 -0.045,656 -0.076,657 0.081,658 -0.069,659 2.016,660 5.114,661 0.696,662 18.941,663 1.02,664 1.122,665 1.065,666 1.135,667 0.659,668 3.258,669 3.555,670 3.784,671 3.951,672 4.174,673 4.127,674 4.127,675 4.127,676 4.19,677 4.078,678 6.457,679 0.645,680 315.35,681 3.258,682 4.779,683 5.609,684 6.46,685 7.305,686 8.157,687 9.006,688 9.859,689 10.71,690 11.563,691 2.5,698 1,709 7,714 5,716 12,734 2,735 2,738 40,739 13,740 2,741 25,743 42,744 17,745 12,746 5,747 7,752 3,753 4,763 1,766 2,768 13,769 4,772 1,778 1,782 1,785 1,786 1,789 17,790 6,791 3,792 6,797 1,803 0.667,804 5,823 3,827 1,838 1,855 2,862 23,868 2,869 3,871 1,872 2,874 1,886 12.5,888 2,889 1,891 2,893 11.833,894 6.817,895 5.083,896 2.246,898 2.119,899 1.309,900 0.922,901 4.81,902 8.98,903 3.497,904 4.043,905 4.522,906 4.951,907 5.429,908 5.377,909 5.426,910 5.571,911 5.794,912 5.699,913 1,914 34,915 8.523,917 3.682,918 8.036,919 15.809,921 12.822,924 2.536,925 58.333,929 164.795,930 93.943,931 18.011,933 132.511,936 93.943,937 297.307,938 18.011,940 27.243,941 66.334,942 115.216,943 35.672,945 164.795,947 164.795,948 111.954,949 132.511,952 141.253,953 156.054,956 27.243,957 84.711,960 164.795,961 150.522,962 93.943,965 164.795,966 27.61,967 66.334,968 18.011,969 132.511,970 164.795,971 150.522,972 93.943,973 0.58,974 0.337,975 0.166,976 0.092,977 16,978 7,979 0.095,980 4,981 1,982 1.125,983 3.638,984 173.226,985 0.125,986 16,987 104.042,993 15.804,994 7,995 3.821,997 150.522,998 11.793,1003 1.67,1005 103.377,1006 409.261,1007 32,1013 12.114,1017 -0.248,1020 40.807,1021 44.867,1022 0.293,1023 0.657,1024 0.81,1025 0.903,1026 0.934,1027 0.962,1028 4.718,1029 1.359,1030 5.58,1031 3.525,1032 4.234,1033 4.727,1034 2.414,1035 6.337,1036 4.142,1037 5.899,1038 0.952,1039 7.112,1040 2.966,1041 3.761,1042 4.46,1043 1.593,1044 7.125,1045 3.624,1046 7.185,1047 0.639,1048 8.743,1049 2.137,1050 5.784,1051 6.828,1052 3.307,1053 10.172,1054 5.604,1055 8.503,1056 0.208,1057 10.429,1058 1.497,1059 6.111,1060 7.34,1061 3.201,1062 11.754,1063 5.874,1064 9.851,1065 -0.252,1066 12.15,1067 0.453,1068 7.598,1069 9.205,1070 4.503,1071 14.296,1072 7.325,1073 11.218,1074 -0.486,1075 13.894,1076 -0.592,1077 8.302,1078 10.085,1079 4.75,1080 16.21,1081 7.963,1082 12.601,1083 -0.618,1084 15.653,1085 -1.147,1086 9.557,1087 11.723,1088 5.815,1089 18.557,1090 9.181,1091 2.975,1092 -0.703,1093 17.424,1094 -1.599,1095 10.444,1096 12.797,1097 6.248,1098 20.624,1099 9.998,1100 2.829,1101 9.416,1102 19.203,1103 -1.75,1104 11.593,1105 14.316,1106 7.175,1107 22.892,1108 11.106,1109 2.59,1110 8.322,1111 20.988,1112 3.869,1113 12.57,1114 15.499,1115 7.714,1116 25.033,1117 12.013,1118 2.219,1119 8.141,1120 22.778,1121 3.82,1122 13.673,1123 16.95,1124 8.557,1125 27.269,1126 13.068,1127 1.618,1128 6.416,1129 24.571,1130 3.066,1131 14.695,1132 18.198,1133 9.16,1134 29.448,1135 14.022,1136 1.609,1137 4.445,1138 26.368,1139 2.819,1140 15.777,1141 19.608,1142 9.952,1143 31.673,1144 15.052,1145 1.414,1146 3.91,1147 28.167,1148 2.119,1149 16.822,1150 20.894,1151 10.594,1152 33.873,1153 16.031,1154 6083,1155 10828,1156 16.701,1157 26.369,1158 37.157,1159 38.192,1160 37.787,1161 36.843,1162 36.825,1163 46.791,1164 7.847,1165 102.456,1166 35.062,1167 5.197,1168 5.786,1169 5.937,1170 5.053,1171 4.975,1172 6.869,1173 3.634,1174 15.793,1175 4.779,1176 10.552,1177 1.486,1178 1.528,1179 1.511,1180 1.474,1181 1.473,1182 1.872,1183 0.314,1184 4.098,1185 1.402,1186 3.969,1187 3.986,1188 3.913,1189 3.868,1190 7.428,1191 3.873,1192 3.914,1193 3.93,1194 3.861,1195 3.825,1196 6.53,1197 3.831,1198 3.642,1199 3.683,1200 3.565,1201 3.45,1202 6.402,1203 3.472,1204 3.397,1205 3.45,1206 3.257,1207 3.221,1208 4.948,1209 3.221,1210 3.074,1211 3.104,1212 2.982,1213 2.812,1214 4.53,1215 2.847,1216 2.93,1217 2.969,1218 2.802,1219 2.746,1220 4.342,1221 2.749,1222 2.893,1223 2.939,1224 2.776,1225 2.733,1226 4.211,1227 2.731,1228 2.785,1229 2.819,1230 2.657,1231 2.603,1232 4.047,1233 2.604,1234 0.17,1235 0.151,1236 0.25,1237 0.156,1238 0.119,1239 4.25,1240 0.155,1241 3.786,1242 0.081,1243 6.25,1244 0.377,1245 3.911,1246 0.111,1247 2.975,1248 3.869,1249 2.03,1250 9.416,1251 2.779,1252 1.908,1253 1.887,1254 2.023,1255 2.036,1256 1.226,1257 2.026,1258 1.885,1259 1.87,1260 1.991,1261 2,1262 1.099,1263 1.998,1264 1.572,1265 1.532,1266 1.75,1267 1.789,1268 0.932,1269 1.778,1270 1.372,1271 1.319,1272 1.621,1273 1.588,1274 0.838,1275 1.6,1276 0.955,1277 0.92,1278 1.19,1279 1.266,1280 0.265,1281 1.237,1282 0.883,1283 0.839,1284 1.142,1285 1.137,1286 0.193,1287 1.13,1288 0.868,1289 0.818,1290 1.125,1291 1.084,1292 0.143,1293 1.096,1294 0.728,1295 0.689,1296 0.95,1297 0.995,1298 0.059,1299 0.979,1300 3.932,1302 5.231,1304 6.73,1306 8.317,1308 9.946,1314 18.689,1315 1.094,1317 2.778,1318 11.125,1320 -0.682,1326 25.81,1327 62.294,1328 139.923,1329 172.471,1330 192.122,1331 198.877,1332 204.877,1333 46.186,1334 6.861,1335 88.02,1336 88.02,1337 18,1338 12.119,1339 3.807,1340 3,1341 37.177,1342 90,1343 78,1344 0.199,1345 157.944,1346 280.25,1347 377.143,1348 8844,1350 16.234,1351 0.706,1352 0.537,1353 16.234,1354 12.359,1355 11.131,1356 0.445,1357 0.292,1358 7.175,1359 10.62,1360 7.082,1361 5.814,1362 11.131,1363 7.303,1364 9.92,1365 0.292,1366 0.154,1367 9.92,1368 5.228,1369 8.364,1370 0.195,1371 0.083,1372 8.364,1373 3.554,1374 6.312,1375 0.124,1376 0.045,1377 6.312,1378 2.317,1379 5.162,1380 0.081,1381 0.024,1382 5.162,1383 1.565,1384 0.322,1385 70.697,1386 0.245,1387 23.067,1388 0.522,1389 118,1390 407.839,1391 133.893,1392 379.917,1393 504.97,1394 354,1395 136,1396 359.205,1397 152.78,1398 356.103,1399 520.51,1400 336,1401 4.545}
{0 CHEMBL1417972,1 1.673,2 9.905,3 3.949,4 15.595,5 84.335,6 8.846,7 0.545,8 3.61,9 3.71,10 3.311,11 3.242,12 4.88,13 3.218,14 4.048,15 4.181,16 3.635,17 3.568,18 5.282,19 3.526,20 4.27,21 4.429,22 3.71,23 3.635,24 5.615,25 3.577,26 4.302,27 4.508,28 3.507,29 3.467,30 5.704,31 3.399,32 4.093,33 4.302,34 3.392,35 3.3,36 5.373,37 3.272,38 3.963,39 4.108,40 3.488,41 3.26,42 5.476,43 3.26,44 4.02,45 4.21,46 3.351,47 3.234,48 5.397,49 3.196,50 3.797,51 3.949,52 3.227,53 3.155,54 5.167,55 3.083,56 0.064,57 0.448,58 4.763,59 2.82,60 4.621,61 3.34,62 0.107,63 0.67,64 9.123,65 4.581,66 18.232,67 5.49,68 0.254,69 0.82,70 14.663,71 5.7,72 27.616,73 6.9,74 0.467,75 0.821,76 18.16,77 5.945,78 69.764,79 7.248,80 0.256,81 0.676,82 13.359,83 4.749,84 44.4,85 5.626,86 0.264,87 0.595,88 10.163,89 3.683,90 30.929,91 3.797,92 0.316,93 0.584,94 12.998,95 4.409,96 48.468,97 4.834,98 0.274,99 0.443,100 11.043,101 3.895,102 43.08,103 4.395,104 18,105 29,106 0.306,107 0.612,108 0.734,109 0.82,110 0.82,111 0.82,112 3.102,113 0.905,114 -4.23,115 -4.17,116 -3.94,120 47.1,121 1,143 8,144 2,145 2,155 1,157 1,158 1,170 1,174 9,177 1,182 2,185 12,188 2,189 5,194 2,197 8,200 1,201 7,204 2,206 2,209 1,214 5,219 3,227 8,232 2,235 2,240 5,247 6,252 3,257 1,260 9,264 2,271 7,274 614,275 14.008,276 14.008,277 14.008,278 14.008,279 14.008,280 12.09,281 9.812,282 8.292,283 14.174,284 10.738,285 10.738,286 10.738,287 10.738,288 10.738,289 7.862,290 5.27,291 3.848,292 11.033,293 3.415,294 1.744,295 1.081,296 0.61,297 0.61,298 0.61,299 3.76,303 1,305 1,306 1,307 1,308 429,309 3.317,313 157.963,320 1.442,321 23.726,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.333,333 208,334 4.332,335 3.651,336 6.387,337 3.979,338 2.967,339 3.868,341 9.638,342 3,343 4.016,344 2.938,345 5.428,346 3.603,347 2.618,348 3.618,350 7.181,351 2.579,352 3.843,353 2.855,354 5.274,355 3.352,356 2.414,357 3.314,359 6.555,360 2.258,361 3.457,362 2.734,363 4.928,364 3.085,365 2.113,366 2.746,368 5.733,369 2.044,370 3.334,371 2.347,372 4.868,373 2.875,374 1.926,375 2.593,377 5.513,378 1.748,379 2.583,380 2.029,381 3.692,382 2.01,383 1,384 1.5,386 2.36,387 1,388 2.5,389 1.898,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.414,400 2,401 0.974,402 1.423,404 2.275,405 0.975,406 2.334,407 1,408 3.114,409 1.814,410 0.76,411 1.017,413 1.438,414 0.794,415 1.533,416 0.663,417 2.42,418 1.09,419 0.062,420 0.088,422 0.108,423 0.062,424 1.114,425 0.444,426 2.265,427 0.677,428 -0.243,429 -0.303,431 -0.516,432 -0.174,433 0.952,434 0.008,435 2,436 0.579,437 -0.414,438 -0.57,440 -0.794,441 -0.415,442 0.5,443 -0.543,444 2,446 -1,447 -1.321,449 -2.756,450 -0.968,451 0.5,452 -0.771,453 1.701,455 -1,456 -1.5,458 -2.965,459 -1,460 0.25,461 -1,462 1.61,463 -0.123,464 -1.11,465 -1.5,467 -3,468 -1,469 10.181,470 0.485,471 0.489,472 0.023,473 29.25,474 1.393,475 17,476 0.81,477 12.25,478 0.583,479 12.938,480 0.616,481 21.619,482 0.636,483 20.8,484 0.99,485 6.191,486 0.295,487 3.905,488 0.186,489 0.185,491 0.295,496 0.536,497 0.938,498 0.572,499 0.83,500 0.527,501 0.815,502 0.71,503 1.186,504 0.676,505 0.941,506 0.671,507 0.917,508 0.819,509 1.289,510 1.027,511 1.184,512 0.705,513 1.14,514 0.998,515 1.046,516 0.976,517 0.981,518 1.002,519 1.005,520 1.235,521 0.989,522 0.623,523 0.73,524 1.314,525 0.722,526 1.383,527 1.125,528 0.847,529 0.995,530 1.351,531 0.939,532 1.545,533 0.739,534 0.846,535 0.737,536 1.726,537 0.785,538 1.038,539 0.823,540 1.081,541 1.096,542 1.324,543 1.074,544 4.5,545 0.082,546 2.667,547 1.125,548 0.964,549 0.549,550 0.406,551 0.299,552 0.131,553 0.102,554 4302,555 14743,556 1.968,557 38.2,558 3,559 8,561 1,562 1,567 1.63,568 1.826,569 3.289,570 -0.291,572 1,575 56.868,576 1.673,577 3.344,578 4.006,579 4.477,580 4.477,581 4.477,582 2.737,583 3.785,584 4.364,585 3.402,586 714.524,587 7.466,588 7779.78,590 1,591 1,592 1,593 172.974,594 1.461,595 4.311,596 0.205,597 0.01,598 0.092,599 0.039,600 0.042,601 0.025,602 0.018,603 0.016,604 0.008,605 0.009,606 0.463,607 0.33,608 1,609 0.874,610 96.133,611 0.025,612 0.142,613 0.006,614 0.041,615 -0.038,616 0.026,617 -0.042,618 -0.158,619 0.028,620 -0.034,621 -0.042,622 -0.022,623 0.052,624 -0.256,625 -0.123,626 -0.263,627 0.071,628 -0.232,629 0.122,630 -0.034,631 -0.052,632 -0.042,633 0.133,634 -0.048,635 -0.138,636 0.027,637 0.151,638 0.193,639 -0.115,640 0.235,641 -0.097,642 -0.044,643 -0.027,644 -0.122,645 -0.005,646 -0.107,647 -0.206,648 0.24,649 0.055,650 0.215,651 -0.203,652 0.157,653 0.083,654 0.073,655 -0.051,656 -0.091,657 -0.073,658 -0.105,659 2.124,660 5.117,661 0.571,662 16.272,663 1.014,664 1.113,665 3.002,666 9.011,667 0.716,668 3.135,669 3.401,670 3.584,671 3.689,672 3.871,673 3.761,674 3.664,675 3.664,676 3.611,677 3.497,678 5.731,679 0.69,680 300.76,681 3.135,682 4.635,683 5.442,684 6.275,685 7.099,686 7.933,687 8.763,688 9.598,689 10.431,690 11.266,691 5.9,696 1,700 1,709 8,714 4,716 12,721 1,737 1,738 34,739 15,740 2,741 22,743 35,744 16,745 12,746 4,747 8,748 3,752 2,753 2,754 1,755 1,759 1,768 15,769 1,772 3,778 2,780 1,781 1,782 2,786 1,789 13,790 4,791 1,792 5,793 1,797 2,803 1,804 2,823 2,831 1,855 2,859 1,860 1,862 21,871 1,885 1,886 5.9,889 2,893 11.5,894 6.426,895 4.806,896 1.865,898 2.558,899 1.415,900 0.956,901 4.989,902 8.723,903 3.466,904 4.007,905 4.527,906 4.954,907 5.436,908 5.46,909 5.606,910 5.849,911 6.101,912 6.229,913 0.857,914 29,915 7.705,917 3.178,918 8.053,919 14.178,921 10.922,924 2.553,925 53.611,929 141.253,930 116.578,931 34.551,932 39.149,933 50.29,936 116.578,937 230.692,938 34.551,939 8.825,941 75.81,942 99.264,943 29.292,945 129.482,946 39.149,947 141.253,948 151.129,949 50.29,950 39.149,952 141.253,953 50.29,956 25.488,957 96.329,958 68.461,960 141.253,961 84.841,962 155.727,965 141.253,966 20.519,967 96.059,968 17.888,969 106.102,970 141.253,971 84.841,972 155.727,973 0.572,974 0.329,975 0.157,976 0.087,977 12,978 6,979 0.143,980 5,982 1,983 3.343,984 146.58,986 12,987 84.239,993 15.11,994 6.934,995 4.087,997 84.841,998 13.71,1003 2.686,1005 17.888,1006 381.821,1007 31,1013 23.162,1015 0.429,1016 3.857,1017 -0.654,1020 34.484,1021 37.851,1022 0.329,1023 0.657,1024 0.788,1025 0.88,1026 0.88,1027 0.88,1028 4.654,1029 0.974,1030 5.407,1031 2.275,1032 4.078,1033 4.691,1035 6.133,1036 4.036,1037 5.854,1038 0.76,1039 6.927,1040 2.275,1041 3.611,1042 4.369,1044 6.911,1045 3.509,1046 7.138,1047 0.062,1048 8.541,1049 1.438,1050 5.602,1051 6.824,1053 9.913,1054 5.538,1055 8.456,1056 -0.243,1057 10.211,1058 0.108,1059 5.916,1060 7.264,1062 11.495,1063 5.832,1064 9.802,1065 -0.414,1066 11.917,1067 -0.516,1068 7.378,1069 9.185,1071 14.032,1072 7.316,1073 11.167,1074 -1,1075 13.648,1076 -0.794,1077 8.055,1078 9.987,1080 15.971,1081 8.002,1082 12.546,1083 -1,1084 15.398,1085 -2.756,1086 9.295,1087 11.659,1089 18.346,1090 9.255,1091 2.967,1092 -1.11,1093 17.164,1094 -2.965,1095 10.158,1096 12.663,1098 20.456,1099 10.141,1100 2.618,1101 9.638,1102 18.944,1103 -3,1104 11.298,1105 14.201,1107 22.768,1108 11.293,1109 2.414,1110 7.181,1111 20.735,1112 3.868,1113 12.259,1114 15.326,1116 24.959,1117 12.279,1118 2.113,1119 6.555,1120 22.535,1121 3.618,1122 13.356,1123 16.784,1125 27.245,1126 13.39,1127 1.926,1128 5.733,1129 24.343,1130 3.314,1131 14.37,1132 17.987,1134 29.474,1135 14.428,1136 1,1137 5.513,1138 26.159,1139 2.746,1140 15.45,1141 19.397,1143 31.749,1144 15.523,1145 1,1146 2.36,1147 27.981,1148 2.593,1149 16.493,1150 20.649,1152 33.997,1153 16.587,1154 4355,1155 8193,1156 14.216,1157 24.347,1158 32.683,1159 34.777,1160 33.586,1161 31.978,1162 31.668,1163 43.336,1165 86.153,1166 30.918,1167 5.106,1168 5.651,1169 5.932,1170 4.979,1171 4.967,1172 6.868,1174 16.361,1175 5,1176 11.389,1177 1.486,1178 1.581,1179 1.527,1180 1.454,1181 1.439,1182 1.97,1184 3.916,1185 1.405,1186 3.963,1187 3.991,1188 4.012,1189 3.89,1190 7.461,1191 3.889,1192 3.897,1193 3.922,1194 3.86,1195 3.841,1196 7.419,1197 3.835,1198 3.591,1199 3.619,1200 3.639,1201 3.406,1202 4.934,1203 3.438,1204 3.216,1205 3.29,1206 3.285,1207 3.049,1208 4.819,1209 3.042,1210 3.04,1211 3.032,1212 3.058,1213 2.856,1214 4.497,1215 2.869,1216 2.854,1217 2.925,1218 2.796,1219 2.735,1220 4.265,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.843,1227 2.715,1228 2.801,1229 2.904,1230 2.687,1231 2.45,1232 3.674,1233 2.479,1234 0.197,1235 0.166,1236 0.29,1237 0.181,1238 0.135,1239 4.332,1240 0.176,1241 3.651,1243 6.387,1244 0.438,1245 3.979,1246 0.136,1247 2.967,1248 3.868,1250 9.638,1251 3,1252 1.92,1253 1.896,1254 2.036,1255 2.021,1256 1.129,1257 2.025,1258 1.897,1259 1.873,1260 1.983,1261 1.972,1262 1.079,1263 1.982,1264 1.485,1265 1.462,1266 1.591,1267 1.704,1268 0.619,1269 1.672,1270 1.212,1271 1.14,1272 1.498,1273 1.433,1274 0.463,1275 1.461,1276 0.914,1277 0.906,1278 1.181,1279 1.153,1280 0.218,1281 1.108,1282 0.886,1283 0.821,1284 1.181,1285 1.082,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.029,1291 1.062,1292 0.073,1293 1.107,1294 0.699,1295 0.595,1296 1.009,1297 1.062,1298 0.001,1299 1.07,1300 3.807,1302 5.081,1304 6.55,1306 8.096,1308 9.679,1310 1.966,1311 5.76,1317 2.695,1326 23.461,1327 56.868,1328 113.69,1329 136.219,1330 152.219,1331 152.219,1332 152.219,1333 43.338,1334 6.165,1335 58.53,1336 58.53,1337 12,1338 11.835,1339 4,1340 3.322,1341 39.373,1342 70,1343 73,1344 0.269,1345 153.028,1346 269.87,1347 365.15,1348 3234,1349 2.9,1350 15.242,1351 0.726,1352 0.576,1353 15.742,1354 12.094,1355 10.097,1356 0.459,1357 0.302,1358 6.227,1359 9.51,1360 6.001,1361 5.033,1362 10.385,1363 6.635,1364 8.751,1365 0.302,1366 0.168,1367 9.159,1368 4.865,1369 7.153,1370 0.204,1371 0.087,1372 7.442,1373 3.06,1374 5.103,1375 0.131,1376 0.045,1377 5.27,1378 1.759,1379 4.012,1380 0.085,1381 0.026,1382 4.226,1383 1.223,1384 0.423,1385 65.947,1386 0.265,1387 21.11,1388 0.729,1389 102,1390 347.652,1391 124.504,1392 368.428,1393 476.92,1394 340,1395 115,1396 310.678,1397 132.437,1398 327.87,1399 467.28,1400 306,1401 5.32}
{0 CHEMBL1418885,1 1.509,2 8.25,3 2.712,4 7.354,5 85.483,6 10.683,7 0.286,8 3.521,9 3.589,10 3.388,11 3.222,12 4.82,13 3.189,14 3.933,15 4.02,16 3.786,17 3.561,18 5.256,19 3.508,20 4.252,21 4.38,22 3.918,23 3.707,24 5.709,25 3.641,26 4.236,27 4.384,28 3.914,29 3.558,30 5.7,31 3.481,32 4.067,33 4.216,34 4.044,35 3.333,36 5.664,37 3.297,38 3.892,39 4.043,40 3.308,41 3.224,42 5.196,43 3.131,44 3.777,45 3.948,46 3.265,47 3.155,48 5.026,49 3.068,50 3.711,51 3.871,52 3.44,53 3.136,54 5.048,55 3.05,56 0.058,57 0.312,58 2.238,59 2.551,60 11.074,61 2.774,62 0.067,63 0.481,64 3.68,65 4.107,66 13.017,67 4.575,68 0.283,69 0.681,70 18.308,71 6.574,72 55.335,73 6.994,74 0.358,75 0.681,76 16.621,77 6.637,78 69.883,79 6.694,80 0.448,81 0.568,82 18.43,83 5.801,84 67.537,85 5.436,86 0.255,87 0.48,88 16.854,89 4.834,90 44.858,91 4.57,92 0.165,93 0.44,94 12.554,95 4.258,96 27.938,97 4.671,98 0.149,99 0.407,100 7.799,101 3.847,102 26.633,103 4.156,104 17,105 28,106 0.282,107 0.561,108 0.732,109 0.86,110 0.877,111 0.877,112 3.057,113 0.953,114 -4.22,115 -4.16,116 -3.93,118 1,120 51.6,136 5,137 1,139 2,143 5,144 1,157 2,174 10,177 2,182 2,185 13,188 1,189 4,194 2,197 14,201 3,204 1,206 1,209 5,214 4,217 1,219 5,222 7,227 2,232 2,235 7,240 3,245 1,247 6,252 4,260 7,264 3,271 6,274 490,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 11.422,281 5.548,282 7.897,283 13.334,284 10.318,285 10.318,286 10.318,287 10.318,288 10.318,289 7.56,290 3.124,291 3.753,292 10.591,293 3.445,294 1.95,295 1.031,296 0.347,297 0.258,298 0.258,299 3.713,305 1,306 1,307 1,308 340,309 2.739,313 69.037,314 75.858,320 1.25,321 27.512,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42.75,333 165,334 4.455,335 3.812,336 6.559,337 4.072,338 3.06,339 3.951,341 10.179,342 3.099,343 3.956,344 2.997,345 5.522,346 3.537,347 2.536,348 3.507,350 7.055,351 2.537,352 3.745,353 2.832,354 5.328,355 3.313,356 2.302,357 3.052,359 6.708,360 2.311,361 3.668,362 2.597,363 5.004,364 3.099,365 2.228,366 2.922,368 5.956,369 1.825,370 3.079,371 2.438,372 4.345,373 2.595,374 1.588,375 2.236,377 3.961,378 1.595,379 2.835,380 1.523,381 3.627,382 2.392,383 1.392,384 1.847,386 3.079,387 1.382,388 2.5,389 1.248,390 3.272,391 2,392 1,393 1.5,395 2.136,396 1,397 2.348,398 1,399 3.247,400 1.631,401 0.623,402 0.974,404 1.475,405 0.597,406 2.203,407 0.978,408 2.962,409 1.404,410 0.342,411 0.572,413 0.787,414 0.359,415 1.552,416 0.597,417 2.776,418 1.173,419 0.262,420 0.322,422 0.591,423 0.203,424 0.801,425 0.028,426 2.14,427 0.384,428 -0.595,429 -0.734,431 -1.324,432 -0.466,433 0.655,434 -0.438,435 1.737,436 0.168,437 -0.801,438 -1.037,440 -2.024,441 -0.592,442 0.5,443 -0.517,444 1.6,446 -1,447 -1.215,449 -2.347,450 -0.926,451 0.359,452 -0.73,453 1.555,454 -0.115,455 -1,456 -1.5,458 -2.473,459 -1,461 -1,462 1.392,463 -0.271,464 -1.224,465 -1.584,467 -3.007,468 -1.172,469 10.333,470 0.517,471 0.511,472 0.026,473 26.25,474 1.313,475 15,476 0.75,477 11.25,478 0.563,479 14.22,480 0.711,481 19.667,482 0.634,483 18.213,484 0.911,485 5.428,486 0.271,487 4.147,488 0.207,489 0.226,491 0.29,496 0.659,497 0.814,498 0.481,499 0.663,500 0.676,501 0.721,502 0.623,503 1.104,504 0.612,505 0.896,506 0.64,507 0.953,508 0.83,509 1.051,510 0.958,511 1.027,512 0.78,513 1.008,514 1.177,515 1.098,516 0.951,517 0.998,518 1.195,519 1.023,520 1.026,521 0.955,522 0.938,523 1.054,524 1.136,525 0.871,526 1.427,527 0.963,528 1.14,529 1.045,530 1.31,531 1.109,532 0.948,533 0.933,534 0.806,535 0.893,536 0.905,537 0.942,538 0.994,539 0.927,540 0.755,541 0.789,542 1.022,543 0.864,544 4,545 0.029,546 2.444,547 1.313,548 1.281,549 0.473,550 0.22,551 0.24,552 0.149,553 0.074,554 3548,555 12873,556 1.966,557 35.5,559 10,562 1,567 1.618,568 1.818,569 3.019,570 -0.32,572 1,574 1,575 46.771,576 1.509,577 3.005,578 3.923,579 4.607,580 4.696,581 4.696,582 2.423,583 3.922,584 4.297,585 3.187,586 605.59,587 7.34,588 6275.42,589 1,590 1,591 1,592 1,593 153.58,594 1.485,595 4.237,596 0.19,597 0.007,598 0.087,599 0.042,600 0.051,601 0.021,602 0.014,603 0.015,604 0.009,605 0.007,606 0.445,607 0.83,608 1,609 0.68,610 88.618,611 -0.062,612 0.097,613 -0.006,614 0.069,615 -0.106,616 0.052,617 -0.008,618 -0.192,619 -0.001,620 -0.11,621 -0.022,622 -0.133,623 0.063,624 -0.1,625 -0.071,626 -0.106,627 0.116,628 -0.085,629 -0.006,630 -0.119,631 -0.01,632 -0.027,633 -0.022,634 -0.061,635 0.296,636 0.036,637 0.173,638 -0.023,639 0.167,640 0.118,641 -0.288,642 0.018,643 -0.159,644 -0.063,645 -0.243,646 -0.144,647 -0.085,648 0.049,649 -0.028,650 0.034,651 -0.062,652 0.058,653 -0.088,654 0.05,655 0.061,656 0.144,657 -0.051,658 0.116,659 2.397,660 4.826,661 0.65,662 13.5,663 1.017,664 1.096,665 2.993,666 8.958,667 0.751,668 3.091,669 3.367,670 3.555,671 3.689,672 3.85,673 3.761,674 3.664,675 3.664,676 3.555,677 3.466,678 5.149,679 0.72,680 331.17,681 3.091,682 4.595,683 5.407,684 6.248,685 7.079,686 7.922,687 8.76,688 9.604,689 10.446,690 11.292,709 5,714 1,716 6,738 31,739 12,740 1,741 21,742 1,743 32,744 16,745 6,746 1,747 5,748 10,749 1,752 2,753 2,768 16,771 1,772 6,778 2,780 5,782 5,785 1,786 1,789 11,790 3,791 1,792 4,793 1,803 1,804 3,823 1,824 1,836 2,845 7,846 1,853 1,855 2,858 1,862 20,868 1,885 1,886 9.7,888 1,889 2,893 11,894 5.51,895 4.5,896 1.69,898 3.035,899 1.493,900 0.944,901 4.617,902 9.194,903 3.434,904 3.961,905 4.497,906 4.914,907 5.381,908 5.517,909 5.823,910 6.157,911 6.452,912 6.682,913 1,914 31,915 7.397,917 3.144,918 8.138,919 13.486,921 10.551,924 2.638,925 52.75,929 117.711,930 114.456,931 45.954,933 92.973,936 160.41,937 210.684,941 94.762,942 106.295,943 6.371,945 117.711,946 45.954,947 117.711,948 114.456,949 92.973,951 45.954,952 117.711,953 92.973,957 64.019,958 50.436,959 45.954,960 117.711,961 92.973,962 160.41,965 117.711,966 19.693,967 94.762,968 45.954,969 92.973,970 117.711,971 92.973,972 160.41,973 0.576,974 0.331,975 0.163,976 0.091,977 12,978 6,979 0.063,980 2,982 1,983 3.179,984 140.555,986 13,987 82.439,993 14.385,994 6.42,995 3.737,997 92.973,998 9.341,1003 0.883,1005 42.683,1006 371.094,1007 30,1013 23.315,1015 7.137,1017 -1.116,1020 31.513,1021 33.961,1022 0.305,1023 0.606,1024 0.792,1025 0.93,1026 0.948,1027 0.948,1028 4.64,1029 0.623,1030 5.38,1031 2.136,1032 4.043,1033 4.644,1035 6.129,1036 4.007,1037 5.853,1038 0.342,1039 6.913,1040 1.475,1041 3.611,1042 4.311,1044 6.946,1045 3.526,1046 7.149,1047 0.262,1048 8.548,1049 0.787,1050 5.58,1051 6.763,1053 10.015,1054 5.544,1055 8.48,1056 -0.595,1057 10.243,1058 0.591,1059 5.943,1060 7.219,1062 11.667,1063 5.905,1064 9.84,1065 -0.801,1066 11.978,1067 -1.324,1068 7.392,1069 9.119,1071 14.269,1072 7.381,1073 11.221,1074 -1,1075 13.741,1076 -2.024,1077 8.128,1078 9.961,1080 16.287,1081 8.142,1082 12.618,1083 -1,1084 15.524,1085 -2.347,1086 9.368,1087 11.607,1089 18.722,1090 9.399,1091 3.06,1092 -1.224,1093 17.325,1094 -2.473,1095 10.292,1096 12.664,1098 20.906,1099 10.352,1100 2.536,1101 10.179,1102 19.139,1103 -3.007,1104 11.445,1105 14.179,1107 23.276,1108 11.521,1109 2.302,1110 7.055,1111 20.964,1112 3.951,1113 12.463,1114 15.362,1116 25.535,1117 12.566,1118 2.228,1119 6.708,1120 22.798,1121 3.507,1122 13.585,1123 16.807,1125 27.877,1126 13.703,1127 1.588,1128 5.956,1129 24.64,1130 3.052,1131 14.65,1132 18.063,1134 30.17,1135 14.79,1136 1.392,1137 3.961,1138 26.488,1139 2.922,1140 15.762,1141 19.471,1143 32.499,1144 15.917,1145 1,1146 3.079,1147 28.342,1148 2.236,1149 16.852,1150 20.772,1152 34.807,1153 17.025,1154 3599,1155 6973,1156 13.523,1157 23.284,1158 32.114,1159 33.244,1160 31.95,1161 30.906,1162 30.663,1163 41.767,1165 83.852,1166 29.818,1167 5.237,1168 5.812,1169 6.361,1170 5.072,1171 5.06,1172 6.951,1174 17.164,1175 5.099,1176 10.442,1177 1.529,1178 1.583,1179 1.521,1180 1.472,1181 1.46,1182 1.989,1184 3.993,1185 1.42,1186 3.959,1187 3.977,1188 6.88,1189 3.902,1190 7.497,1191 3.896,1192 3.857,1193 3.87,1194 3.888,1195 3.798,1196 7.352,1197 3.79,1198 3.485,1199 3.51,1200 3.775,1201 3.396,1202 6.467,1203 3.389,1204 3.245,1205 3.23,1206 3.404,1207 3.138,1208 4.782,1209 3.128,1210 3.115,1211 3.151,1212 3.032,1213 3.009,1214 4.525,1215 3.006,1216 2.854,1217 2.925,1218 2.999,1219 2.735,1220 4.196,1221 2.715,1222 2.746,1223 2.782,1224 2.687,1225 2.57,1226 3.816,1227 2.568,1228 2.484,1229 2.544,1230 2.597,1231 2.209,1232 3.674,1233 2.197,1234 0.212,1235 0.182,1236 0.312,1237 0.194,1238 0.146,1239 4.455,1240 0.188,1241 3.812,1243 6.559,1244 0.485,1245 4.072,1246 0.148,1247 3.06,1248 3.951,1250 10.179,1251 3.099,1252 1.925,1253 1.901,1254 2.042,1255 1.999,1256 1.111,1257 2.015,1258 1.718,1259 1.709,1260 1.779,1261 1.824,1262 0.911,1263 1.807,1264 1.635,1265 1.624,1266 1.724,1267 1.75,1268 0.759,1269 1.754,1270 1.312,1271 1.284,1272 1.46,1273 1.448,1274 0.507,1275 1.459,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.806,1283 0.781,1284 1.018,1285 1.057,1286 0.086,1287 1.031,1288 0.608,1289 0.58,1290 0.826,1291 0.86,1293 0.86,1294 0.475,1295 0.427,1296 0.777,1297 0.78,1299 0.801,1300 3.761,1302 5.043,1304 6.503,1305 2.708,1306 8.036,1307 5.293,1308 9.609,1309 3.198,1314 9.993,1326 22.33,1327 46.771,1328 93.142,1329 121.606,1330 142.825,1331 145.58,1332 145.58,1333 47.027,1334 6.159,1335 54.37,1336 54.37,1337 13,1338 11.854,1339 3.7,1340 3.322,1341 36.407,1342 61,1343 60,1344 0.294,1345 147.017,1346 271.63,1347 350.482,1348 3268,1349 3.2,1350 14.535,1351 0.727,1352 0.6,1353 15.535,1354 12.001,1355 9.575,1356 0.456,1357 0.318,1358 5.886,1359 8.805,1360 5.704,1361 4.74,1362 10.153,1363 6.673,1364 8.477,1365 0.303,1366 0.179,1367 9.294,1368 5.015,1369 6.848,1370 0.201,1371 0.093,1372 7.373,1373 3.147,1374 4.968,1375 0.127,1376 0.051,1377 5.407,1378 1.996,1379 4.052,1380 0.088,1381 0.03,1382 4.762,1383 1.375,1384 0.453,1385 67.556,1386 0.272,1387 19.932,1388 0.822,1389 98,1390 334.275,1391 170.182,1392 361.829,1393 463.7,1394 332,1395 111,1396 294.036,1397 145.687,1398 313.178,1399 450.77,1400 294,1401 4.797}
{0 CHEMBL1419117,1 1.733,2 10.429,3 4.84,4 23.427,5 112.677,6 8.595,7 0.516,8 3.981,9 4.08,10 3.751,11 3.625,12 5.106,13 3.561,14 4.501,15 4.66,16 4.186,17 4.013,18 5.602,19 3.929,20 4.673,21 4.84,22 4.29,23 4.127,24 5.791,25 4.041,26 4.757,27 4.92,28 4.294,29 4.117,30 5.978,31 4.012,32 4.726,33 4.916,34 4.115,35 4.04,36 5.865,37 3.894,38 4.636,39 4.832,40 3.834,41 3.94,42 5.667,43 3.79,44 4.537,45 4.749,46 3.856,47 3.847,48 5.62,49 3.722,50 4.6,51 4.851,52 3.798,53 3.837,54 5.565,55 3.699,56 0.042,57 0.721,58 8.822,59 4.64,60 8.262,61 5.307,62 0.281,63 1.239,64 21.639,65 8.183,66 21.512,67 9.704,68 0.208,69 1.443,70 26.289,71 9.753,72 22.312,73 10.92,74 0.431,75 1.528,76 31.756,77 10.879,78 48.045,79 11.18,80 0.549,81 1.464,82 35.52,83 11.317,84 62.527,85 11.045,86 0.356,87 1.286,88 28.923,89 10.225,90 50.532,91 11.005,92 0.35,93 1.186,94 21.943,95 8.232,96 40.424,97 10.659,98 0.263,99 1.24,100 31.057,101 10.248,102 31.187,103 12.046,104 28,105 45,106 0.292,107 0.666,108 0.814,109 0.863,110 0.871,111 0.871,112 3.375,113 1.052,114 -5.01,115 -4.91,116 -4.6,120 41.7,121 3,122 1,126 2,143 4,144 3,145 1,148 1,150 1,153 1,159 1,160 1,162 1,174 7,176 3,177 10,180 1,182 1,185 9,189 9,194 1,197 5,200 1,201 12,204 1,206 2,209 4,213 4,214 5,219 2,222 7,235 5,239 2,240 10,243 2,247 5,252 8,260 1,264 8,267 1,269 3,271 6,274 1134,275 18.87,276 18.87,277 18.87,278 18.87,279 18.87,280 16.588,281 20.09,282 10.947,283 19.548,284 15.234,285 15.234,286 15.234,287 15.234,288 15.234,289 11.679,290 22.672,291 5.081,292 16.398,293 3.852,294 1.638,295 0.756,296 0.464,297 0.422,298 0.422,299 4.069,306 1,307 1,308 635,309 3.082,312 61.674,313 212.993,316 107.084,317 123.666,320 1.398,321 29.606,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60,333 292,334 4.692,335 4.565,336 6.856,337 4.189,338 3.248,339 4.672,340 3.835,341 11.309,342 3.077,343 4.5,344 3.7,345 6.768,346 4.155,347 3.199,348 4.066,349 1.286,350 11.034,351 3.058,352 3.876,353 3.363,354 5.981,355 3.473,356 2.553,357 3.34,358 0.963,359 8.367,360 2.34,361 3.78,362 3.07,363 5.634,364 3.394,365 2.459,366 3.09,367 0.226,368 7.439,369 2.291,370 3.506,371 2.684,372 5.304,373 3.053,374 2.131,375 2.825,377 6.388,378 1.947,379 3.444,380 2.566,381 5.214,382 2.952,383 2.031,384 2.722,386 6.178,387 1.858,388 3.237,389 2.171,390 5.058,391 2.736,392 1.834,393 2.507,395 5.666,396 1.622,397 2.888,398 1.967,399 4.215,400 2.459,401 1.47,402 2.045,404 3.477,405 1.452,406 2.63,407 1.797,408 4.113,409 2.308,410 1.365,411 1.652,413 3.221,414 1.273,415 2.528,416 1.561,417 3.716,418 2.1,419 1.203,420 1.532,422 3.091,423 1.058,424 2.372,425 1.499,426 3.483,427 2.016,428 1.021,429 1.287,431 2.141,432 1.005,433 1.852,434 1.313,435 3.228,436 1.51,437 0.645,438 0.746,440 1.484,441 0.541,442 1.616,443 0.963,444 2.837,445 1.194,446 0.216,447 0.273,449 0.425,450 0.209,451 1.141,452 0.709,453 2.757,454 0.806,455 -0.138,456 -0.165,458 -0.357,459 -0.128,460 1.083,461 0.233,462 2.686,463 0.654,464 -0.246,465 -0.305,467 -0.621,468 -0.214,469 13.933,470 0.498,471 0.768,472 0.027,473 36.25,474 1.295,475 18,476 0.643,477 18.25,478 0.652,479 27.411,480 0.979,481 29.267,482 0.61,483 24.466,484 0.874,485 6.373,486 0.228,487 7.117,488 0.254,489 0.156,491 0.388,496 0.796,497 1.194,498 0.714,499 0.865,500 0.731,501 0.863,502 0.506,503 1.04,504 0.804,505 0.932,506 0.501,507 0.787,508 0.98,509 1.187,510 0.934,511 1.007,512 0.858,513 0.858,514 1.306,515 1.232,516 1.223,517 1.233,518 1.315,519 1.075,520 1.593,521 0.846,522 1.308,523 1.05,524 1.626,525 1.047,526 1.429,527 1.114,528 1.312,529 1.14,530 1.528,531 1.15,532 0.447,533 1.121,534 0.763,535 0.963,536 0.47,537 1.054,538 0.829,539 0.954,540 0.984,541 0.95,542 0.667,543 0.81,544 5.5,545 0.242,546 3.556,547 3.104,548 2.142,549 0.834,550 0.541,551 0.379,552 0.374,553 0.313,554 9624,555 26583,556 2.072,557 41.7,558 6,559 8,562 1,563 3,564 2,567 1.711,568 1.909,569 3.35,570 -0.288,575 83.201,576 1.733,577 3.947,578 4.829,579 5.121,580 5.163,581 5.163,582 2.678,583 4.495,584 4.784,585 3.513,586 1327.8,587 8.321,588 17415.2,590 1,593 268.078,594 1.497,595 4.723,596 0.177,597 0.01,598 0.079,599 0.063,600 0.049,601 0.024,602 0.018,603 0.012,604 0.012,605 0.01,606 0.455,607 0.17,608 1,609 0.959,610 139.751,611 -0.063,612 -0.131,613 0.061,614 0.043,615 -0.086,616 0.026,617 0.276,618 0.035,619 0.183,620 0.074,621 0.123,622 0.158,623 -0.04,624 -0.113,625 0.088,626 0.006,627 -0.001,628 0.079,629 -0.027,630 -0.145,631 -0.079,632 -0.161,633 0.008,634 -0.152,635 -0.223,636 0.223,637 -0.151,638 0.019,639 -0.21,640 -0.11,641 -0.288,642 -0.121,643 -0.26,644 -0.115,645 -0.265,646 -0.182,647 0.325,648 -0.145,649 0.069,650 -0.086,651 0.192,652 -0.091,653 0.013,654 0.016,655 0.088,656 0.073,657 0.057,658 0.222,659 1.696,660 5.86,661 0.679,662 23.071,663 1.006,664 1.116,665 3.778,666 14.27,667 0.715,668 3.466,669 3.829,670 4.159,671 4.466,672 4.673,673 4.745,674 4.836,675 4.927,676 4.997,677 5.017,678 6.36,679 0.669,680 412.58,681 3.466,682 5.03,683 5.911,684 6.817,685 7.713,686 8.623,687 9.524,688 10.435,689 11.337,690 12.248,691 8.3,698 1,700 1,701 2,708 2,709 4,710 2,713 1,714 6,716 16,724 1,734 1,738 48,739 18,740 1,741 31,743 51,744 20,745 12,746 2,747 4,748 2,752 4,753 6,759 3,766 1,768 14,769 6,772 2,778 1,781 1,782 2,789 20,790 6,791 1,792 8,793 2,797 4,803 0.5,804 2,817 1,822 1,823 3,826 1,827 1,855 2,856 1,857 2,859 3,862 28,868 1,869 3,873 1,875 1,880 1,886 4.2,888 1,889 1,893 14.667,894 9.833,895 6.139,896 3.05,898 3.648,899 1.468,900 0.981,901 5.392,902 11.44,903 3.738,904 4.391,905 5.038,906 5.669,907 6.174,908 6.471,909 6.814,910 7.138,911 7.291,912 7.401,913 0.857,914 49,915 10.395,917 4.484,918 7.744,919 19.848,921 16.452,924 2.244,925 62.833,928 1,929 223.651,930 154.52,931 53.481,933 67.828,935 63.497,936 91.022,937 291.479,938 53.481,939 26.476,940 8.664,941 37.905,942 106.421,943 30.814,944 2.051,945 287.148,947 223.651,948 144.503,949 67.828,950 63.497,952 202.437,953 91.37,956 52.242,957 56.362,958 33.571,959 63.497,960 223.651,961 121.309,962 154.52,965 223.651,966 90.139,967 67.505,969 118.185,970 223.651,971 121.309,972 154.52,973 0.587,974 0.362,975 0.208,976 0.112,977 23,978 11,979 0.098,980 5,981 2,982 1.211,983 3.871,984 251.457,985 0.211,986 19,987 134.606,989 2,993 19.347,994 7.804,995 3.569,996 1.512,997 121.309,998 7.389,999 8.871,1002 1.553,1003 3.995,1005 42.683,1006 499.48,1007 41,1013 12.86,1016 4.683,1017 0.617,1020 48.283,1021 53.574,1022 0.31,1023 0.707,1024 0.865,1025 0.917,1026 0.924,1027 0.924,1028 4.997,1029 1.47,1030 5.922,1031 5.666,1032 4.511,1033 5.078,1034 3.538,1035 6.795,1036 4.373,1037 6.234,1038 1.365,1039 7.522,1040 3.477,1041 4.205,1042 5.027,1043 2.048,1044 7.801,1045 4.022,1046 7.571,1047 1.203,1048 9.224,1049 3.221,1050 6.163,1051 7.36,1052 6.014,1053 10.949,1054 5.91,1055 8.946,1056 1.021,1057 10.983,1058 3.091,1059 6.673,1060 8.14,1061 4.991,1062 12.777,1063 6.385,1064 10.354,1065 0.645,1066 12.779,1067 2.141,1068 8.125,1069 9.972,1070 8.652,1071 15.451,1072 7.778,1073 11.786,1074 0.216,1075 14.601,1076 1.484,1077 9.006,1078 11.148,1079 7.962,1080 17.62,1081 8.623,1082 13.237,1083 -0.138,1084 16.44,1085 0.425,1086 10.27,1087 12.787,1088 11.306,1089 20.13,1090 9.836,1091 3.248,1092 -0.246,1093 18.295,1094 -0.357,1095 11.315,1096 14.152,1097 10.864,1098 22.442,1099 10.84,1100 3.199,1101 11.309,1102 20.16,1103 -0.621,1104 12.513,1105 15.717,1106 13.963,1107 24.892,1108 11.99,1109 2.553,1110 11.034,1111 22.035,1112 4.672,1113 13.629,1114 17.17,1115 13.717,1116 27.264,1117 13.061,1118 2.459,1119 8.367,1120 23.918,1121 4.066,1122 14.804,1123 18.708,1124 16.621,1125 29.692,1126 14.189,1127 2.131,1128 7.439,1129 25.806,1130 3.34,1131 15.95,1132 20.202,1133 16.537,1134 32.088,1135 15.289,1136 2.031,1137 6.388,1138 27.7,1139 3.09,1140 17.119,1141 21.732,1142 19.281,1143 34.508,1144 16.41,1145 1.834,1146 6.178,1147 29.597,1148 2.825,1149 18.278,1150 23.246,1151 19.334,1152 36.915,1153 17.521,1154 9172,1155 15436,1156 20.403,1157 34.318,1158 47.459,1159 51.479,1160 49.464,1161 46.84,1162 46.749,1163 61.514,1164 12.621,1165 140.438,1166 43.46,1167 5.617,1168 6.565,1169 6.615,1170 5.349,1171 5.248,1172 7.672,1173 7.527,1174 18.842,1175 5.077,1176 15.331,1177 1.531,1178 1.661,1179 1.596,1180 1.511,1181 1.508,1182 1.984,1183 0.407,1184 4.53,1185 1.402,1186 4.076,1187 4.09,1188 4.337,1189 4.066,1190 7.428,1191 4.019,1192 3.981,1193 4.008,1194 4.036,1195 3.897,1196 6.475,1197 3.899,1198 3.638,1199 3.703,1200 3.758,1201 3.525,1202 4.932,1203 3.492,1204 3.516,1205 3.566,1206 3.485,1207 3.414,1208 4.82,1209 3.381,1210 3.34,1211 3.398,1212 3.374,1213 3.182,1214 4.394,1215 3.173,1216 3.152,1217 3.216,1218 3.154,1219 3.011,1220 4.331,1221 2.989,1222 3.077,1223 3.145,1224 3.087,1225 2.937,1226 4.09,1227 2.883,1228 2.963,1229 3.02,1230 2.87,1231 2.808,1232 3.812,1233 2.793,1234 0.151,1235 0.147,1236 0.221,1237 0.135,1238 0.105,1239 4.692,1240 0.151,1241 4.565,1242 0.124,1243 6.856,1244 0.365,1245 4.189,1246 0.099,1247 3.248,1248 4.672,1249 3.835,1250 11.309,1251 3.077,1252 1.938,1253 1.914,1254 2.023,1255 2.051,1256 1.197,1257 2.044,1258 1.826,1259 1.803,1260 1.904,1261 1.963,1262 1.078,1263 1.942,1264 1.636,1265 1.585,1266 1.898,1267 1.817,1268 1.064,1269 1.85,1270 1.599,1271 1.56,1272 1.697,1273 1.702,1274 0.921,1275 1.748,1276 1.342,1277 1.309,1278 1.537,1279 1.513,1280 0.739,1281 1.53,1282 1.195,1283 1.144,1284 1.459,1285 1.402,1286 0.568,1287 1.452,1288 1.043,1289 0.963,1290 1.3,1291 1.27,1292 0.498,1293 1.309,1294 0.934,1295 0.877,1296 1.185,1297 1.134,1298 0.275,1299 1.145,1300 4.143,1302 5.493,1303 2.398,1304 7.047,1305 4.844,1306 8.7,1307 7.018,1308 10.407,1310 6.013,1314 10.343,1315 1.867,1319 1.418,1321 1.713,1326 32.104,1327 83.201,1328 189.475,1329 231.814,1330 245.814,1331 247.814,1332 247.814,1333 50.467,1334 7.792,1335 80.9,1336 134.44,1337 23,1338 12.764,1339 4.248,1340 3.459,1341 42.435,1342 109,1343 90,1344 0.192,1345 204.129,1346 347.26,1347 489.834,1348 26706,1350 19.836,1351 0.708,1352 0.626,1353 20.543,1354 17.525,1355 13.49,1356 0.435,1357 0.351,1358 9.13,1359 12.174,1360 8.639,1361 7.202,1362 14.353,1363 10.874,1364 12.317,1365 0.274,1366 0.194,1367 13.57,1368 8.73,1369 10.819,1370 0.172,1371 0.107,1372 12.269,1373 6.734,1374 9.482,1375 0.11,1376 0.059,1377 11.157,1378 5.067,1379 7.474,1380 0.071,1381 0.034,1382 9.112,1383 3.578,1384 0.301,1385 92.483,1386 0.221,1387 26.485,1388 0.532,1389 152,1390 444.186,1391 215.023,1392 473.753,1393 655.25,1394 444,1395 184,1396 462.438,1397 240.291,1398 496.404,1399 740.18,1400 467,1401 4.143}
{0 CHEMBL1419210,1 1.66,2 8.65,3 1.196,4 1.43,5 73.695,6 7.809,7 0.5,8 3.69,9 3.798,10 3.301,11 3.151,12 4.833,13 3.171,14 4.217,15 4.378,16 3.654,17 3.496,18 5.345,19 3.517,20 4.356,21 4.52,22 3.657,23 3.579,24 5.524,25 3.578,26 4.358,27 4.541,28 3.485,29 3.536,30 5.566,31 3.469,32 4.318,33 4.573,34 3.245,35 3.361,36 5.377,37 3.279,38 4.047,39 4.253,40 3.184,41 3.2,42 5.226,43 3.156,44 3.955,45 4.169,46 3.133,47 3.14,48 5.054,49 3.089,50 3.921,51 4.132,52 2.998,53 3.023,54 4.974,55 2.961,56 0.09,57 0.524,58 6.773,59 3.038,60 5.966,61 3.741,62 0.308,63 0.793,64 13.806,65 4.621,66 21.016,67 6.001,68 0.468,69 0.873,70 16.328,71 5.207,72 29.488,73 6.605,74 0.421,75 0.862,76 16.179,77 5.875,78 34.231,79 7.759,80 0.444,81 0.738,82 18.427,83 5.498,84 45.754,85 7.832,86 0.369,87 0.609,88 12.827,89 3.977,90 38.516,91 5.415,92 0.267,93 0.573,94 11.323,95 3.744,96 23.042,97 5.308,98 0.284,99 0.505,100 11.341,101 3.779,102 23.586,103 5.151,104 10,105 31,106 0.305,107 0.67,108 0.794,109 0.829,110 0.84,111 0.85,112 3.058,113 0.865,114 -2.44,115 -2.47,116 -2.42,120 40,121 1,125 1,126 2,143 3,144 1,145 3,146 1,153 1,159 1,167 1,174 1,177 6,180 1,182 3,185 2,188 1,189 4,194 1,197 1,200 2,201 4,204 3,206 1,209 2,214 1,217 1,222 1,226 1,227 5,235 2,239 1,240 3,247 1,251 2,252 1,263 2,264 1,274 442,275 13.43,276 13.43,277 13.43,278 13.43,279 13.43,280 11.888,281 19.271,282 7.816,283 13.821,284 10.823,285 10.823,286 10.823,287 10.823,288 10.823,289 8.45,290 25.394,291 3.692,292 11.442,293 3.469,294 1.485,295 0.808,296 0.615,297 0.557,298 0.5,299 3.735,306 1,307 1,308 374,309 2.646,312 53.885,313 100.415,317 85.447,320 1.285,321 21.001,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44.5,333 173,334 4.449,335 3.617,336 6.572,337 4.067,338 3.088,339 4.123,340 1.058,341 10.208,342 3.023,343 4.273,344 3.249,345 6.184,346 3.86,347 2.916,348 3.914,349 0.86,350 9.228,351 2.749,352 3.716,353 2.916,354 5.549,355 3.365,356 2.41,357 3.017,358 0.86,359 7.185,360 2.289,361 3.403,362 2.421,363 5.17,364 3.013,365 2.039,366 2.673,368 6.084,369 1.972,370 2.923,371 2.175,372 4.419,373 2.53,374 1.618,375 2.061,377 4.369,378 1.469,379 2.625,380 1.801,381 4.145,382 2.333,383 1.414,384 1.617,386 3.269,387 1.286,388 2.559,389 1.66,390 3.764,391 2.193,392 1.208,393 1.567,395 2.965,396 1.183,397 2.468,398 1.325,399 3.609,400 2.059,401 1.096,402 1.457,404 2.698,405 1.049,406 1.915,407 1.02,408 3.172,409 1.592,410 0.69,411 0.819,413 1.593,414 0.615,415 1.198,416 0.569,417 2.789,418 0.888,419 -0.053,420 -0.061,422 -0.133,423 -0.05,424 0.969,425 0.174,426 2.284,427 0.68,428 -0.302,429 -0.369,431 -0.667,432 -0.291,433 0.688,434 -0.09,435 2,436 0.313,437 -0.618,438 -0.729,440 -1.589,441 -0.564,442 0.59,443 -0.315,444 2,445 0.209,446 -0.753,447 -0.918,449 -1.842,450 -0.71,451 0.169,452 -0.809,453 2,454 -0.137,455 -1.107,456 -1.36,458 -2.785,459 -1.073,460 0.146,461 -0.893,462 1.715,463 -0.165,464 -1.135,465 -1.454,467 -2.959,468 -1.098,469 9.2,470 0.46,471 0.524,472 0.026,473 26.5,474 1.325,475 13,476 0.65,477 13.5,478 0.675,479 13.442,480 0.672,481 22,482 0.629,483 17.893,484 0.895,485 5.442,486 0.272,487 4.206,488 0.21,489 0.145,491 0.37,496 0.794,497 1.359,498 0.717,499 1.2,500 0.621,501 0.981,502 1.135,503 1.142,504 0.786,505 0.904,506 0.687,507 0.781,508 1.328,509 1.041,510 1.085,511 0.946,512 1.071,513 0.944,514 0.856,515 1.153,516 1.199,517 1.349,518 1.157,519 1.363,520 1.01,521 0.779,522 0.912,523 0.781,524 1.574,525 0.819,526 1.067,527 0.983,528 1.025,529 0.911,530 1.568,531 0.945,532 0.68,533 1.069,534 0.885,535 1.05,536 0.625,537 1.002,538 0.923,539 1.032,540 0.989,541 1.133,542 1.12,543 1.098,544 4,545 0.037,546 2.667,547 1.507,548 1.086,549 0.368,550 0.374,551 0.24,552 0.172,553 0.095,554 3889,555 11116,556 2.077,557 42.9,559 10,561 1,562 1,563 3,567 1.615,568 1.935,569 3.113,570 -0.222,572 1,574 1,575 58.109,576 1.66,577 3.644,578 4.322,579 4.515,580 4.572,581 4.629,582 2.504,583 4.022,584 4.299,585 3.221,586 611.948,587 7.327,588 6234.87,589 1,590 1,593 179.525,594 1.441,595 4.248,596 0.182,597 0.007,598 0.086,599 0.05,600 0.047,601 0.019,602 0.021,603 0.014,604 0.012,605 0.01,606 0.449,607 0.67,608 1,609 0.627,610 88.553,611 -0.016,612 -0.15,613 0.07,614 -0.133,615 -0.059,616 -0.034,617 -0.102,618 -0.061,619 0.13,620 0.082,621 0.03,622 0.15,623 -0.175,624 0.019,625 -0.148,626 0.019,627 -0.09,628 -0.035,629 0.071,630 -0.115,631 -0.286,632 -0.364,633 0.014,634 -0.413,635 -0.056,636 0.101,637 0.12,638 0.176,639 -0.103,640 0.187,641 -0.04,642 -0.002,643 -0.051,644 0.053,645 -0.089,646 0.012,647 0.123,648 -0.059,649 0.055,650 -0.073,651 0.139,652 -0.019,653 0.082,654 -0.104,655 -0.005,656 -0.151,657 -0.083,658 -0.113,659 1.854,660 5.18,661 0.75,662 12.82,663 1.017,664 1.132,665 1.208,666 1.46,667 0.656,668 3.135,669 3.466,670 3.738,671 3.951,672 4.078,673 4.043,674 4.094,675 4.205,676 4.277,677 4.19,678 5.164,679 0.639,680 273.32,681 3.135,682 4.673,683 5.525,684 6.399,685 7.263,686 8.138,687 9.006,688 9.881,689 10.75,690 11.625,691 8.6,698 1,699 1,701 1,709 4,710 1,714 5,715 1,716 11,723 1,735 2,738 35,739 12,740 1,741 22,743 37,744 14,745 9,746 3,747 3,748 1,752 3,753 4,759 1,768 10,769 4,772 1,778 1,782 1,785 1,786 1,789 15,790 5,791 1,792 6,797 3,803 0.667,804 3,814 1,822 1,823 2,827 1,855 2,859 2,862 20,869 2,871 1,872 2,886 8.6,889 1,891 2,893 10.333,894 6.983,895 4.361,896 1.989,898 2.001,899 1.301,900 0.975,901 3.464,902 8.642,903 3.384,904 3.984,905 4.539,906 5.051,907 5.385,908 5.496,909 5.669,910 5.975,911 6.228,912 6.396,913 0.833,914 30,915 7.372,917 3.111,918 7.825,919 13.887,921 11.091,924 2.325,925 46.5,926 0.001,929 164.795,930 87.773,931 36.45,933 47.145,936 87.773,937 211.94,938 36.45,939 17.222,940 27.196,941 28.429,942 58.284,943 49.253,944 2.757,945 153.024,947 164.795,948 124.223,949 47.145,952 164.795,953 47.145,956 46.845,957 60.716,958 16.663,960 164.795,961 83.595,962 87.773,965 164.795,966 33.075,967 56.474,968 18.011,969 63.808,970 164.795,971 83.595,972 87.773,973 0.589,974 0.352,975 0.183,976 0.09,977 16,978 7,979 0.054,980 2,981 1,982 1.133,983 3.264,984 149.693,985 0.133,986 15,987 86.439,993 13.153,994 5.268,995 2.58,997 81.818,998 6.901,999 4.06,1003 3.397,1004 1.665,1005 18.011,1006 336.164,1007 28.5,1013 12.18,1017 -0.188,1020 35.589,1021 39.614,1022 0.324,1023 0.71,1024 0.843,1025 0.88,1026 0.891,1027 0.902,1028 4.623,1029 1.096,1030 5.517,1031 2.965,1032 4.143,1033 4.668,1034 1.824,1035 6.326,1036 4.046,1037 5.832,1038 0.69,1039 7.083,1040 2.698,1041 3.761,1042 4.543,1044 7.217,1045 3.657,1046 7.147,1047 -0.053,1048 8.747,1049 1.593,1050 5.74,1051 6.857,1052 1.74,1053 10.307,1054 5.564,1055 8.497,1056 -0.302,1057 10.469,1058 -0.133,1059 6.176,1060 7.555,1062 12.012,1063 5.995,1064 9.88,1065 -0.618,1066 12.227,1067 -0.667,1068 7.631,1069 9.346,1070 1.692,1071 14.608,1072 7.392,1073 11.285,1074 -0.753,1075 14.009,1076 -1.589,1077 8.435,1078 10.411,1080 16.645,1081 8.186,1082 12.707,1083 -1.107,1084 15.809,1085 -1.842,1086 9.681,1087 11.989,1088 1.676,1089 19.063,1090 9.388,1091 3.088,1092 -1.135,1093 17.622,1094 -2.785,1095 10.652,1096 13.225,1098 21.244,1099 10.342,1100 2.916,1101 10.208,1102 19.446,1103 -2.959,1104 11.814,1105 14.709,1106 1.688,1107 23.594,1108 11.468,1109 2.41,1110 9.228,1111 21.277,1112 4.123,1113 12.86,1114 16.027,1116 25.84,1117 12.494,1118 2.039,1119 7.185,1120 23.114,1121 3.914,1122 13.988,1123 17.468,1124 1.723,1125 28.163,1126 13.594,1127 1.618,1128 6.084,1129 24.957,1130 3.017,1131 15.068,1132 18.826,1134 30.44,1135 14.653,1136 1.414,1137 4.369,1138 26.804,1139 2.673,1140 16.184,1141 20.247,1142 1.776,1143 32.754,1144 15.744,1145 1.208,1146 3.269,1147 28.655,1148 2.061,1149 17.281,1150 21.627,1152 35.047,1153 16.82,1154 3769,1155 6483,1156 14.622,1157 22.949,1158 33.345,1159 34.484,1160 34.437,1161 32.925,1162 32.956,1163 42.494,1164 5.557,1165 95.201,1166 31.272,1167 5.393,1168 5.617,1169 6.259,1170 5.207,1171 5.088,1172 7.123,1173 2.117,1174 17.224,1175 5.023,1176 9.221,1177 1.516,1178 1.567,1179 1.565,1180 1.497,1181 1.498,1182 1.932,1183 0.253,1184 4.327,1185 1.421,1186 4.007,1187 4.05,1188 3.968,1189 3.866,1190 7.429,1191 3.883,1192 3.91,1193 3.938,1194 3.865,1195 3.761,1196 4.959,1197 3.783,1198 3.491,1199 3.539,1200 3.385,1201 3.263,1202 4.906,1203 3.279,1204 3.269,1205 3.323,1206 3.165,1207 3.018,1208 4.377,1209 3.045,1210 3.075,1211 3.186,1212 2.812,1213 2.844,1214 4.213,1215 2.817,1216 2.946,1217 3.032,1218 2.784,1219 2.756,1220 3.823,1221 2.753,1222 2.869,1223 2.916,1224 2.707,1225 2.676,1226 3.787,1227 2.676,1228 2.651,1229 2.679,1230 2.546,1231 2.442,1232 3.668,1233 2.469,1234 0.202,1235 0.164,1236 0.299,1237 0.185,1238 0.14,1239 4.449,1240 0.187,1241 3.617,1242 0.048,1243 6.572,1244 0.464,1245 4.067,1246 0.137,1247 3.088,1248 4.123,1249 1.058,1250 10.208,1251 3.023,1252 1.895,1253 1.878,1254 1.986,1255 2.033,1256 1.109,1257 2.017,1258 1.667,1259 1.631,1260 1.834,1261 1.868,1262 0.97,1263 1.856,1264 1.453,1265 1.387,1266 1.69,1267 1.733,1268 0.914,1269 1.709,1270 1.392,1271 1.327,1272 1.62,1273 1.606,1274 0.652,1275 1.617,1276 1.074,1277 0.983,1278 1.424,1279 1.361,1280 0.454,1281 1.39,1282 0.919,1283 0.85,1284 1.162,1285 1.184,1286 0.201,1287 1.186,1288 0.824,1289 0.768,1290 1.057,1291 1.068,1292 0.091,1293 1.069,1294 0.589,1295 0.546,1296 0.905,1297 0.848,1298 0.055,1299 0.855,1300 3.807,1302 5.13,1303 2.398,1304 6.648,1305 4.727,1306 8.249,1307 6.783,1308 9.893,1310 3.655,1315 1.069,1317 2.835,1318 10.926,1326 22.369,1327 58.109,1328 127.551,1329 151.26,1330 158.015,1331 160.015,1332 162.015,1333 28.126,1334 6.641,1335 65.38,1336 65.38,1337 17,1338 12.166,1339 3.7,1340 2.907,1341 30.067,1342 63,1343 50,1344 0.24,1345 137.69,1346 235.41,1347 327.724,1348 6111,1350 14.113,1351 0.706,1352 0.567,1353 14.113,1354 11.343,1355 9.648,1356 0.439,1357 0.288,1358 6.203,1359 9.076,1360 6.022,1361 4.987,1362 9.648,1363 6.345,1364 8.774,1365 0.283,1366 0.148,1367 8.774,1368 4.58,1369 7.613,1370 0.186,1371 0.08,1372 7.613,1373 3.28,1374 6.091,1375 0.119,1376 0.04,1377 6.091,1378 2.041,1379 4.505,1380 0.078,1381 0.021,1382 4.505,1383 1.237,1384 0.373,1385 61.803,1386 0.262,1387 19.89,1388 0.668,1389 106,1390 360.83,1391 121.156,1392 335.59,1393 459.03,1394 316,1395 125,1396 341.261,1397 140.962,1398 338.545,1399 494.62,1400 318,1401 5.457}
{0 CHEMBL1419901,1 1.69,2 9.55,3 3.567,4 12.721,5 79.285,6 8.75,7 0.571,8 3.591,9 3.692,10 3.275,11 3.194,12 4.857,13 3.174,14 4.014,15 4.148,16 3.611,17 3.531,18 5.266,19 3.49,20 4.242,21 4.391,22 3.682,23 3.6,24 5.584,25 3.547,26 4.285,27 4.481,28 3.407,29 3.395,30 5.589,31 3.329,32 4.09,33 4.339,34 3.175,35 3.148,36 5.259,37 3.078,38 3.848,39 4.078,40 3.239,41 3.01,42 5.151,43 2.98,44 3.687,45 3.845,46 3.132,47 3.031,48 5.158,49 2.992,50 3.702,51 3.866,52 3.082,53 3.09,54 4.986,55 3.03,56 0.087,57 0.442,58 5.061,59 2.803,60 9.22,61 3.251,62 0.137,63 0.652,64 9.074,65 4.476,66 15.752,67 5.484,68 0.219,69 0.77,70 14.572,71 5.784,72 26.495,73 6.887,74 0.408,75 0.781,76 17.786,77 5.703,78 56.094,79 6.531,80 0.331,81 0.682,82 14.541,83 4.465,84 43.3,85 5.691,86 0.311,87 0.522,88 12.368,89 3.395,90 36.998,91 4.222,92 0.267,93 0.422,94 9.176,95 3.114,96 39.89,97 3.664,98 0.118,99 0.423,100 7.963,101 3.633,102 19.188,103 4.368,104 17,105 28,106 0.313,107 0.652,108 0.76,109 0.848,110 0.864,111 0.864,112 3.056,113 0.904,114 -4.74,115 -4.65,116 -4.37,120 45.5,121 1,143 7,144 3,145 2,156 1,159 1,170 1,174 9,177 2,180 1,182 3,185 11,188 1,189 4,194 6,197 8,201 6,204 1,206 4,209 2,214 5,218 1,219 2,222 1,227 2,232 3,235 3,240 3,243 1,245 1,247 6,252 2,257 2,260 8,269 2,271 9,274 466,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 11.283,281 9.454,282 7.811,283 13.394,284 10.295,285 10.295,286 10.295,287 10.295,288 10.295,289 7.545,290 6.541,291 3.666,292 10.67,293 3.355,294 1.527,295 0.944,296 0.47,297 0.387,298 0.387,299 3.713,303 1,305 1,306 1,307 1,308 395,309 2.915,313 146.128,320 1.495,321 22.034,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 43.333,333 191,334 4.331,335 3.552,336 6.335,337 3.928,338 2.949,339 4.005,340 0.98,341 9.396,342 2.883,343 4.179,344 3.133,345 6.026,346 3.81,347 2.81,348 3.757,350 8.57,351 2.805,352 3.665,353 2.905,354 5.036,355 3.195,356 2.288,357 3.022,359 6.022,360 2.038,361 3.403,362 2.267,363 5.017,364 2.999,365 2.012,366 2.677,368 5.673,369 1.962,370 2.923,371 1.976,372 4.177,373 2.48,374 1.519,375 2.037,377 3.837,378 1.417,379 2.866,380 1.681,381 3.88,382 2.393,383 1.414,384 1.995,386 3.185,387 1.379,388 2.603,389 1.524,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.359,400 1.955,401 0.973,402 1.454,404 2.189,405 0.934,406 1.453,407 0.772,408 2.702,409 1.231,410 0.276,411 0.308,413 0.606,414 0.258,415 1.152,416 0.487,417 2.359,418 0.793,419 -0.159,420 -0.198,422 -0.353,423 -0.126,424 1.111,425 0.324,426 2.19,427 0.601,428 -0.303,429 -0.394,431 -0.654,432 -0.257,433 0.83,434 -0.285,435 2,436 0.315,437 -0.669,438 -0.942,440 -1.499,441 -0.646,442 0.5,443 -0.698,444 1.817,446 -1,447 -1.489,449 -2.929,450 -0.97,451 0.074,452 -0.964,453 1.52,454 -0.257,455 -1.218,456 -1.5,458 -3,459 -1,460 -0.027,461 -1,462 1.303,463 -0.4,464 -1.293,465 -1.617,467 -3.186,468 -1.24,469 9.681,470 0.484,471 0.511,472 0.026,473 27.25,474 1.363,475 15.5,476 0.775,477 11.75,478 0.588,479 12.597,480 0.63,481 20.919,482 0.634,483 18.695,484 0.935,485 5.753,486 0.288,487 3.823,488 0.191,489 0.194,491 0.31,496 0.719,497 0.916,498 0.601,499 0.793,500 0.737,501 0.794,502 0.612,503 1.08,504 0.654,505 0.916,506 0.613,507 0.899,508 0.957,509 1.321,510 1.019,511 1.239,512 0.901,513 1.156,514 1.492,515 1.248,516 1.116,517 1.098,518 1.497,519 1.136,520 1.109,521 1.04,522 0.718,523 0.747,524 1.173,525 0.833,526 0.946,527 0.752,528 0.691,529 0.688,530 0.88,531 0.656,532 0.944,533 0.726,534 0.937,535 0.904,536 0.993,537 0.891,538 0.932,539 0.887,540 0.652,541 0.929,542 1.145,543 0.916,544 4,545 0.087,546 2.889,547 1.313,548 0.836,549 0.41,550 0.284,551 0.234,552 0.144,553 0.113,554 3933,555 13567,556 1.966,557 39.4,558 3,559 7,561 1,562 2,567 1.611,568 1.818,569 3.24,570 0.361,572 1,574 1,575 55.756,576 1.69,577 3.517,578 4.1,579 4.574,580 4.658,581 4.658,582 2.709,583 3.484,584 4.299,585 3.39,586 644.139,587 7.307,588 6890.26,589 1,590 1,591 1,592 1,593 166.465,594 1.485,595 4.237,596 0.19,597 0.01,598 0.103,599 0.047,600 0.042,601 0.026,602 0.018,603 0.015,604 0.009,605 0.009,606 0.468,607 0.5,608 1,609 0.68,610 90.607,611 -0.037,612 0.188,613 -0.01,614 0.096,615 -0.119,616 0.055,617 0.06,618 -0.026,619 0.047,620 0.003,621 0.02,622 0.004,623 -0.022,624 -0.328,625 -0.119,626 -0.294,627 0.037,628 -0.237,629 -0.223,630 -0.262,631 -0.205,632 -0.177,633 -0.197,634 -0.216,635 -0.086,636 0.01,637 0.087,638 0.144,639 -0.121,640 0.125,641 0.112,642 0.319,643 0.255,644 0.223,645 0.115,646 0.291,647 0.173,648 0.281,649 -0.041,650 0.038,651 0.242,652 0.023,653 -0.039,654 0.021,655 0.078,656 0.047,657 -0.006,658 0.067,659 2.009,660 4.768,661 0.6,662 14.23,663 1.015,664 1.117,665 3.508,666 12.307,667 0.707,668 3.091,669 3.367,670 3.555,671 3.638,672 3.761,673 3.638,674 3.497,675 3.434,676 3.434,677 3.526,678 5.774,679 0.681,680 288.75,681 3.091,682 4.595,683 5.407,684 6.24,685 7.066,686 7.9,687 8.728,688 9.563,689 10.392,690 11.227,691 6.1,698 1,700 1,709 7,714 5,716 12,734 1,737 1,738 33,739 14,740 2,741 21,743 34,744 15,745 12,746 5,747 7,748 2,752 2,753 2,754 1,755 1,759 1,768 14,769 1,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 13,790 4,791 2,792 5,793 1,797 2,803 1,804 2,823 2,855 2,859 1,860 1,862 20,868 1,871 1,885 1,886 6.1,888 1,889 1,893 11,894 6.126,895 4.5,896 1.772,898 2.685,899 1.438,900 0.935,901 4.638,902 8.818,903 3.401,904 3.97,905 4.489,906 4.943,907 5.404,908 5.405,909 5.455,910 5.547,911 5.799,912 6.199,913 1,914 28,915 7.325,917 3.022,918 8.031,919 13.501,921 10.436,924 2.531,925 50.611,929 129.482,930 101.968,931 34.551,932 39.149,933 67.828,936 101.968,937 236.459,938 34.551,939 8.825,940 17.888,941 66.334,942 93.351,943 29.72,945 117.711,946 39.149,947 129.482,948 136.52,949 67.828,950 39.149,952 129.482,953 67.828,956 43.376,957 84.096,958 48.196,960 129.482,961 102.38,962 141.117,965 129.482,966 17.762,967 84.206,968 17.888,969 123.64,970 129.482,971 102.38,972 141.117,973 0.579,974 0.335,975 0.155,976 0.078,977 12,978 6,979 0.088,980 3,982 1,983 3.275,984 135.734,986 12,987 80.439,993 14.41,994 6.438,995 3.75,997 102.38,998 11.782,1003 2.464,1005 60.572,1006 372.979,1007 29,1013 11.768,1015 1.399,1016 3.825,1017 -0.343,1020 33.484,1021 36.851,1022 0.335,1023 0.697,1024 0.813,1025 0.907,1026 0.923,1027 0.923,1028 4.595,1029 0.973,1030 5.38,1031 2.275,1032 4.043,1033 4.654,1034 1.072,1035 6.12,1036 3.981,1037 5.804,1038 0.276,1039 6.913,1040 2.189,1041 3.611,1042 4.388,1044 6.929,1045 3.487,1046 7.096,1047 -0.159,1048 8.547,1049 0.606,1050 5.58,1051 6.811,1052 1.045,1053 9.955,1054 5.479,1055 8.423,1056 -0.303,1057 10.238,1058 -0.353,1059 5.943,1060 7.33,1062 11.565,1063 5.801,1064 9.779,1065 -0.669,1066 11.966,1067 -0.654,1068 7.392,1069 9.231,1070 1.019,1071 14.109,1072 7.266,1073 11.154,1074 -1,1075 13.719,1076 -1.499,1077 8.12,1078 10.131,1080 16.048,1081 7.968,1082 12.546,1083 -1.218,1084 15.489,1085 -2.929,1086 9.353,1087 11.789,1088 0.993,1089 18.411,1090 9.206,1091 2.949,1092 -1.293,1093 17.273,1094 -3,1095 10.255,1096 12.893,1098 20.497,1099 10.089,1100 2.81,1101 9.396,1102 19.066,1103 -3.186,1104 11.394,1105 14.424,1106 0.967,1107 22.783,1108 11.225,1109 2.288,1110 8.57,1111 20.867,1112 4.005,1113 12.379,1114 15.641,1116 24.938,1117 12.194,1118 2.012,1119 6.022,1120 22.674,1121 3.757,1122 13.476,1123 17.103,1124 0.942,1125 27.191,1126 13.283,1127 1.519,1128 5.673,1129 24.486,1130 3.022,1131 14.502,1132 18.385,1134 29.38,1135 14.294,1136 1.414,1137 3.837,1138 26.302,1139 2.677,1140 15.581,1141 19.808,1142 0.917,1143 31.617,1144 15.361,1145 1,1146 3.185,1147 28.122,1148 2.037,1149 16.627,1150 21.129,1152 33.824,1153 16.391,1154 3967,1155 7477,1156 13.523,1157 23.347,1158 30.989,1159 32.118,1160 31.891,1161 30.668,1162 30.482,1163 41.507,1164 1.96,1165 83.507,1166 29.354,1167 5.109,1168 5.552,1169 5.917,1170 4.928,1171 4.949,1172 7.005,1173 1.96,1174 16.065,1175 4.883,1176 10.979,1177 1.476,1178 1.529,1179 1.519,1180 1.46,1181 1.452,1182 1.977,1183 0.093,1184 3.977,1185 1.398,1186 3.962,1187 3.987,1188 4.006,1189 3.889,1190 7.429,1191 3.889,1192 3.902,1193 3.921,1194 3.886,1195 3.847,1196 6.468,1197 3.842,1198 3.455,1199 3.52,1200 3.535,1201 3.215,1202 4.934,1203 3.246,1204 3.203,1205 3.262,1206 3.228,1207 3.055,1208 4.771,1209 3.054,1210 3.063,1211 3.108,1212 2.967,1213 2.909,1214 4.501,1215 2.903,1216 2.854,1217 2.925,1218 2.882,1219 2.735,1220 4.268,1221 2.715,1222 2.809,1223 2.846,1224 2.687,1225 2.541,1226 3.865,1227 2.563,1228 2.603,1229 2.661,1230 2.612,1231 2.339,1232 3.674,1233 2.352,1234 0.206,1235 0.169,1236 0.302,1237 0.187,1238 0.14,1239 4.331,1240 0.191,1241 3.552,1242 0.047,1243 6.335,1244 0.447,1245 3.928,1246 0.137,1247 2.949,1248 4.005,1249 0.98,1250 9.396,1251 2.883,1252 1.921,1253 1.9,1254 2.025,1255 2.018,1256 1.134,1257 2.019,1258 1.891,1259 1.873,1260 1.977,1261 1.969,1262 1.071,1263 1.978,1264 1.346,1265 1.285,1266 1.578,1267 1.621,1268 0.631,1269 1.593,1270 1.182,1271 1.128,1272 1.406,1273 1.408,1274 0.343,1275 1.437,1276 1.023,1277 0.983,1278 1.181,1279 1.221,1280 0.218,1281 1.212,1282 0.886,1283 0.821,1284 1.169,1285 1.062,1286 0.209,1287 1.107,1288 0.679,1289 0.629,1290 0.916,1291 1.045,1293 1,1294 0.543,1295 0.47,1296 0.871,1297 0.802,1299 0.837,1300 3.761,1302 5.043,1304 6.521,1306 8.082,1308 9.682,1310 1.791,1311 5.744,1314 9.792,1317 2.39,1326 22.461,1327 55.756,1328 116.059,1329 135.304,1330 150.955,1331 153.71,1332 153.71,1333 38.778,1334 6.133,1335 61.69,1336 61.69,1337 12,1338 11.797,1339 3.907,1340 3.17,1341 36.724,1342 71,1343 62,1344 0.257,1345 146.364,1346 255.21,1347 348.887,1348 3277,1349 3,1350 14.535,1351 0.727,1352 0.578,1353 15.035,1354 11.555,1355 9.575,1356 0.456,1357 0.301,1358 5.922,1359 8.998,1360 5.709,1361 4.785,1362 9.864,1363 6.331,1364 8.456,1365 0.302,1366 0.166,1367 8.864,1368 4.655,1369 6.975,1370 0.205,1371 0.088,1372 7.264,1373 2.997,1374 4.892,1375 0.132,1376 0.047,1377 5.059,1378 1.738,1379 3.627,1380 0.086,1381 0.026,1382 3.841,1383 1.09,1384 0.411,1385 62.737,1386 0.272,1387 20.345,1388 0.679,1389 98,1390 324.067,1391 120.946,1392 347.495,1393 452.03,1394 320,1395 111,1396 299.629,1397 128.547,1398 315.701,1399 450.68,1400 295,1401 4.041}
{0 CHEMBL1420119,1 1.782,2 9.481,3 3.273,4 10.71,5 99.901,6 8.467,7 0.517,8 3.947,9 4.035,10 3.653,11 3.459,12 5.134,13 3.453,14 4.47,15 4.619,16 4.039,17 3.802,18 5.69,19 3.779,20 4.557,21 4.712,22 4.083,23 3.847,24 5.736,25 3.823,26 4.593,27 4.728,28 4.112,29 3.895,30 5.906,31 3.857,32 4.667,33 4.845,34 4,35 3.919,36 5.848,37 3.852,38 4.627,39 4.781,40 4.079,41 3.935,42 5.84,43 3.876,44 4.676,45 4.857,46 4.007,47 3.911,48 5.773,49 3.857,50 4.734,51 4.923,52 3.855,53 3.845,54 5.884,55 3.779,56 0.132,57 0.665,58 8.172,59 4.416,60 9.537,61 4.8,62 0.612,63 1.038,64 19.106,65 7.138,66 48.197,67 8.085,68 0.607,69 1.127,70 22.232,71 7.459,72 46.635,73 8.082,74 0.582,75 1.227,76 22.83,77 7.889,78 57.429,79 8.819,80 0.728,81 1.258,82 28.311,83 8.773,84 69.099,85 9.621,86 0.593,87 1.229,88 26.153,89 9.007,90 42.849,91 10.196,92 0.509,93 1.187,94 23.543,95 9.184,96 48.389,97 11.029,98 0.824,99 1.193,100 30.525,101 9.32,102 73.872,103 10.078,104 38,105 40,106 0.305,107 0.68,108 0.862,109 0.87,110 0.87,111 0.87,112 3.34,113 0.946,114 -3.25,115 -3.24,116 -3.11,120 39.1,121 2,122 1,125 1,126 2,143 2,144 2,148 1,150 1,152 1,153 2,159 2,162 1,174 3,176 3,177 10,180 1,182 1,185 3,189 6,192 1,194 2,197 1,200 4,201 8,204 1,206 4,209 2,213 3,214 2,222 4,226 2,227 6,230 4,235 5,239 1,240 9,247 4,252 4,257 1,260 3,263 8,264 4,271 1,274 1196,275 18.24,276 18.24,277 18.24,278 18.24,279 18.24,280 16.197,281 23.01,282 10.854,283 18.917,284 14.215,285 14.215,286 14.215,287 14.215,288 14.215,289 10.906,290 31.718,291 5.022,292 15.113,293 3.742,294 1.551,295 0.484,296 0.441,297 0.441,298 0.441,299 4.017,305 1,306 1,307 1,308 532,309 3.937,312 133.644,313 74.66,316 113.851,320 1.462,321 36.214,324 1,325 1,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.88,332 60.5,333 256,334 4.732,335 3.716,336 6.949,337 4.248,338 3.302,339 4.699,340 2.491,341 11.707,342 3.122,343 4.059,344 3.699,345 6.125,346 3.671,347 2.721,348 3.533,349 1.674,350 8.811,351 2.575,352 3.918,353 3.236,354 5.478,355 3.532,356 2.543,357 3.473,358 0.657,359 7.257,360 2.511,361 3.75,362 2.775,363 5.372,364 3.407,365 2.431,366 3.043,367 0.473,368 7.021,369 2.35,370 3.431,371 2.567,372 5.182,373 2.967,374 2.03,375 2.785,377 6.19,378 1.898,379 3.403,380 2.248,381 4.931,382 2.921,383 2.012,384 2.617,386 5.447,387 1.8,388 2.966,389 1.911,390 4.65,391 2.553,392 1.62,393 2.07,395 4.541,396 1.491,397 2.678,398 1.808,399 4.107,400 2.289,401 1.331,402 1.734,404 3.2,405 1.274,406 2.443,407 1.495,408 3.518,409 2.065,410 1.155,411 1.419,413 2.674,414 1.03,415 2.118,416 1.461,417 3.113,418 1.69,419 0.748,420 0.927,422 1.372,423 0.682,424 2.057,425 1.25,426 3,427 1.618,428 0.618,429 0.92,431 1.355,432 0.618,433 1.717,434 0.686,435 2.972,436 1.388,437 0.464,438 0.563,440 1.088,441 0.425,442 1.509,443 0.618,444 2.913,445 1.255,446 0.382,447 0.411,449 0.58,450 0.329,451 1.221,452 0.616,453 2.598,454 0.82,455 -0.169,456 -0.214,458 -0.402,459 -0.163,460 0.96,461 0.275,462 2.38,463 0.482,464 -0.417,465 -0.513,467 -0.836,468 -0.368,469 12.7,470 0.47,471 0.644,472 0.024,473 33.5,474 1.241,475 15.5,476 0.574,477 18,478 0.667,479 23.805,480 0.882,481 29.9,482 0.65,483 25.534,484 0.946,485 6.805,486 0.252,487 6.223,488 0.23,489 0.171,491 0.354,496 0.807,497 1.358,498 0.699,499 1.09,500 0.599,501 0.964,502 0.885,503 0.941,504 0.741,505 0.804,506 0.589,507 0.742,508 1.194,509 1.099,510 0.906,511 0.884,512 1.063,513 0.813,514 0.925,515 1.424,516 1.186,517 1.318,518 1.196,519 1.156,520 1.107,521 0.954,522 1.357,523 1.043,524 1.206,525 0.951,526 0.638,527 1.167,528 1.232,529 1.387,530 0.668,531 1.164,532 0.847,533 1.106,534 0.772,535 1.052,536 0.855,537 1.041,538 1.491,539 0.91,540 1.324,541 1.007,542 1.358,543 1.004,544 5.5,545 0.113,546 2.667,547 2.514,548 1.499,549 1.042,550 0.813,551 0.509,552 0.406,553 0.171,554 7799,555 26288,556 2.014,557 41.3,558 3,559 9,560 1,562 1,563 2,564 3,567 1.709,568 1.862,569 3.215,570 -0.236,571 1,572 1,575 81.95,576 1.782,577 3.972,578 5.04,579 5.083,580 5.083,581 5.083,582 2.532,583 4.459,584 4.718,585 3.411,586 1197.42,587 8.242,588 15387.6,590 1,592 1,593 254.084,594 1.487,595 4.672,596 0.19,597 0.006,598 0.067,599 0.063,600 0.037,601 0.027,602 0.02,603 0.013,604 0.013,605 0.007,606 0.443,607 0.33,608 1,609 1.461,610 132.398,611 -0.071,612 -0.207,613 0.063,614 -0.074,615 -0.05,616 -0.026,617 0.093,618 0.12,619 0.207,620 0.202,621 0.113,622 0.206,623 -0.177,624 -0.017,625 0.093,626 0.127,627 -0.141,628 0.116,629 0.005,630 -0.277,631 -0.122,632 -0.233,633 -0.026,634 -0.228,635 -0.161,636 0.162,637 -0.211,638 0.047,639 -0.146,640 0.001,641 0.16,642 -0.035,643 -0.126,644 -0.256,645 0.092,646 -0.185,647 -0.002,648 -0.135,649 0.091,650 -0.104,651 -0.045,652 -0.048,653 -0.333,654 0.064,655 -0.245,656 0.002,657 -0.226,658 -0.049,659 2.106,660 5.231,661 0.519,662 27.863,663 1.024,664 1.126,665 2.024,666 4.096,667 0.675,668 3.401,669 3.714,670 3.989,671 4.277,672 4.431,673 4.635,674 4.812,675 4.956,676 4.99,677 4.934,678 6.013,679 0.653,680 389.47,681 3.401,682 4.934,683 5.784,684 6.668,685 7.544,686 8.443,687 9.333,688 10.241,689 11.141,690 12.054,691 6.5,696 1,701 2,708 2,709 3,710 2,712 1,713 1,714 5,716 15,726 1,729 1,738 46,739 17,741 29,743 48,744 18,745 10,748 1,752 3,753 4,759 2,766 1,768 12,769 6,772 2,778 2,782 2,786 1,788 1,789 19,790 8,791 1,792 9,793 1,797 3,803 0.667,804 5,817 1,822 2,823 1,826 1,841 1,855 2,857 1,859 3,862 27,869 3,871 1,872 2,880 1,886 10.9,889 2,891 3,893 14.5,894 9.4,895 6.139,896 2.728,898 2.835,899 1.392,900 0.951,901 6.318,902 10.075,903 3.676,904 4.284,905 4.888,906 5.522,907 5.969,908 6.444,909 6.875,910 7.296,911 7.496,912 7.635,913 0.714,914 40,915 9.982,917 4.174,918 7.957,919 18.549,921 14.529,924 2.457,925 66.333,928 1,929 211.88,930 131.657,931 51.582,933 81.797,935 31.278,936 100.379,937 293.677,938 51.582,939 28.533,940 9.233,941 30.692,942 116.571,943 39.594,944 20.906,945 231.386,947 211.88,948 151.961,949 81.797,950 31.278,952 178.894,953 117.11,956 27.2,957 70.851,958 51.582,959 31.278,960 211.88,961 133.379,962 131.657,965 211.88,966 72.432,967 59.225,968 18.011,969 115.368,970 211.88,971 133.379,972 131.657,973 0.571,974 0.336,975 0.183,976 0.091,977 18,978 9,979 0.188,980 9,981 1,982 1.143,983 3.775,984 228.602,985 0.143,986 14,987 128.382,989 1,993 19.614,994 8.697,995 4.407,996 1.328,997 133.379,998 5.221,999 8.886,1001 5.334,1002 1.217,1003 2.778,1005 18.011,1006 476.916,1007 38.5,1013 23.861,1017 -0.838,1020 47.087,1021 51.784,1022 0.323,1023 0.719,1024 0.912,1025 0.92,1026 0.92,1027 0.92,1028 4.903,1029 1.331,1030 5.771,1031 4.541,1032 4.394,1033 4.97,1034 2.914,1035 6.597,1036 4.281,1037 6.119,1038 1.155,1039 7.339,1040 3.2,1041 4.007,1042 4.89,1043 2.243,1044 7.535,1045 3.876,1046 7.439,1047 0.748,1048 9.008,1049 2.674,1050 5.994,1051 7.226,1052 4.208,1053 10.671,1054 5.784,1055 8.799,1056 0.618,1057 10.738,1058 1.372,1059 6.447,1060 8.019,1061 4.356,1062 12.48,1063 6.208,1064 10.194,1065 0.464,1066 12.509,1067 1.355,1068 7.898,1069 9.831,1070 5.756,1071 15.154,1072 7.592,1073 11.614,1074 0.382,1075 14.309,1076 1.088,1077 8.74,1078 11.032,1079 6.296,1080 17.341,1081 8.39,1082 13.055,1083 -0.169,1084 16.133,1085 0.58,1086 9.997,1087 12.659,1088 7.439,1089 19.866,1090 9.587,1091 3.302,1092 -0.417,1093 17.975,1094 -0.402,1095 11.022,1096 14.052,1097 8.171,1098 22.214,1099 10.558,1100 2.721,1101 11.707,1102 19.833,1103 -0.836,1104 12.215,1105 15.617,1106 9.193,1107 24.691,1108 11.692,1109 2.543,1110 8.811,1111 21.703,1112 4.699,1113 13.325,1114 17.095,1115 10.02,1116 27.104,1117 12.743,1118 2.431,1119 7.257,1120 23.585,1121 3.533,1122 14.503,1123 18.643,1124 10.984,1125 29.567,1126 13.862,1127 2.03,1128 7.021,1129 25.475,1130 3.473,1131 15.653,1132 20.159,1133 11.856,1134 32.007,1135 14.951,1136 2.012,1137 6.19,1138 27.374,1139 3.043,1140 16.831,1141 21.702,1142 12.794,1143 34.466,1144 16.07,1145 1.62,1146 5.447,1147 29.278,1148 2.785,1149 18,1150 23.235,1151 13.687,1152 36.917,1153 17.18,1154 7815,1155 14491,1156 18.898,1157 31.029,1158 43.041,1159 44.818,1160 44.896,1161 42.639,1162 42.717,1163 56.389,1164 10.592,1165 122.487,1166 40.211,1167 5.581,1168 5.716,1169 6.718,1170 5.393,1171 5.302,1172 7.699,1173 4.241,1174 19.092,1175 5.055,1176 14.998,1177 1.484,1178 1.545,1179 1.548,1180 1.47,1181 1.473,1182 1.944,1183 0.365,1184 4.224,1185 1.387,1186 4.092,1187 4.108,1188 4.344,1189 4.07,1190 7.434,1191 4.029,1192 3.889,1193 3.899,1194 3.844,1195 3.735,1196 7.43,1197 3.753,1198 3.648,1199 3.664,1200 3.639,1201 3.455,1202 5.087,1203 3.476,1204 3.535,1205 3.575,1206 3.433,1207 3.296,1208 4.995,1209 3.308,1210 3.358,1211 3.42,1212 3.322,1213 3.138,1214 4.498,1215 3.148,1216 3.21,1217 3.292,1218 3.111,1219 2.981,1220 4.475,1221 2.976,1222 3.091,1223 3.143,1224 2.956,1225 2.886,1226 4.252,1227 2.862,1228 3.03,1229 3.099,1230 2.932,1231 2.811,1232 4.14,1233 2.798,1234 0.163,1235 0.128,1236 0.24,1237 0.146,1238 0.114,1239 4.732,1240 0.162,1241 3.716,1242 0.086,1243 6.949,1244 0.404,1245 4.248,1246 0.108,1247 3.302,1248 4.699,1249 2.491,1250 11.707,1251 3.122,1252 1.858,1253 1.827,1254 1.923,1255 2.012,1256 1.092,1257 1.987,1258 1.606,1259 1.601,1260 1.807,1261 1.798,1262 0.944,1263 1.796,1264 1.56,1265 1.522,1266 1.734,1267 1.758,1268 0.908,1269 1.744,1270 1.466,1271 1.419,1272 1.716,1273 1.683,1274 0.884,1275 1.696,1276 1.388,1277 1.351,1278 1.59,1279 1.586,1280 0.657,1281 1.598,1282 1.349,1283 1.329,1284 1.55,1285 1.578,1286 0.581,1287 1.574,1288 1.123,1289 1.049,1290 1.362,1291 1.364,1292 0.557,1293 1.391,1294 0.999,1295 0.927,1296 1.194,1297 1.295,1298 0.329,1299 1.291,1300 4.078,1302 5.389,1303 3.045,1304 6.884,1305 5.352,1306 8.475,1307 7.424,1308 10.126,1310 4.892,1315 0.629,1317 3.204,1318 9.822,1326 30.04,1327 81.95,1328 182.726,1329 231.819,1330 233.819,1331 233.819,1332 233.819,1333 54.68,1334 7.239,1335 103.55,1336 131.79,1337 16,1338 12.57,1339 4.17,1340 3.392,1341 46.539,1342 94,1343 104,1344 0.242,1345 189.328,1346 324.52,1347 453.721,1348 11884,1350 19.389,1351 0.718,1352 0.593,1353 19.742,1354 16.014,1355 13.028,1356 0.449,1357 0.315,1358 8.221,1359 11.842,1360 7.896,1361 6.56,1362 13.437,1363 9.149,1364 11.437,1365 0.286,1366 0.166,1367 12.052,1368 6.63,1369 9.546,1370 0.18,1371 0.094,1372 10.44,1373 5.003,1374 8.021,1375 0.113,1376 0.052,1377 9.004,1378 3.66,1379 5.633,1380 0.068,1381 0.028,1382 6.535,1383 2.297,1384 0.369,1385 87.61,1386 0.23,1387 25.627,1388 0.697,1389 138,1390 519.161,1391 184.732,1392 499.083,1393 670.21,1394 468,1395 162,1396 465.703,1397 206.84,1398 478.385,1399 703.95,1400 448,1401 4.196}
{0 CHEMBL1420192,1 1.529,2 9.25,3 5.012,4 25.117,5 88.22,6 8.058,7 0.444,8 3.833,9 3.946,10 3.467,11 3.424,12 4.941,13 3.41,14 4.43,15 4.589,16 3.957,17 3.858,18 6.008,19 3.835,20 4.669,21 4.866,22 3.957,23 4.029,24 5.76,25 3.967,26 4.8,27 5.024,28 3.914,29 4.017,30 5.93,31 3.944,32 4.75,33 5,34 3.684,35 3.933,36 5.754,37 3.821,38 4.61,39 4.88,40 3.433,41 3.789,42 5.419,43 3.63,44 4.463,45 4.741,46 3.429,47 3.556,48 5.507,49 3.442,50 4.238,51 4.465,52 3.51,53 3.281,54 5.751,55 3.279,56 0.077,57 0.811,58 7.082,59 4.137,60 17.948,61 4.774,62 0.73,63 1.704,64 16.048,65 7.066,66 130.788,67 8.398,68 0.261,69 1.603,70 20.702,71 9.215,72 33.495,73 11.766,74 0.498,75 1.781,76 26.262,77 10.188,78 68.727,79 12.603,80 0.527,81 1.526,82 26.371,83 9.692,84 73.003,85 12.575,86 0.302,87 1.195,88 23.251,89 9.196,90 48.168,91 12.976,92 0.525,93 1.193,94 21.758,95 7.818,96 60.871,97 10.522,98 0.462,99 1.281,100 16.237,101 6.081,102 67.685,103 6.747,104 18,105 41,106 0.27,107 0.575,108 0.725,109 0.811,110 0.852,111 0.852,112 3.23,113 0.891,114 -6.18,115 -6.02,116 -5.6,120 46.3,122 2,123 1,125 1,128 1,133 1,143 8,144 4,158 1,167 1,174 15,177 4,185 18,189 8,197 15,201 10,209 11,214 6,222 11,227 2,235 11,247 11,260 8,271 4,274 760,275 15.903,276 15.903,277 15.903,278 15.903,279 15.903,280 14.346,281 20.438,282 9.008,283 16.235,284 13.328,285 13.328,286 13.328,287 13.328,288 13.328,289 10.921,290 27.274,291 4.241,292 13.959,293 3.828,294 2.099,295 1.247,296 0.759,297 0.525,298 0.525,299 3.924,306 1,307 1,308 486,309 3.162,312 39.341,313 162.206,316 70.78,317 83.141,320 1.542,321 32.571,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.84,332 53.5,333 222,334 4.55,335 4.46,336 7.112,337 4.316,338 3.348,339 4.045,340 3.825,341 11.99,342 3.267,343 4.432,344 3.657,345 7.009,346 4.164,347 3.295,348 3.853,349 0.782,350 11.653,351 2.899,352 4.105,353 3.061,354 6.418,355 3.823,356 2.839,357 3.408,358 0.657,359 9.829,360 2.757,361 3.652,362 2.559,363 5.553,364 3.25,365 2.274,366 2.981,368 7.061,369 2.205,370 3.14,371 2.191,372 5.024,373 2.84,374 1.88,375 2.267,377 5.557,378 1.802,379 2.981,380 2.016,381 4.865,382 2.793,383 1.812,384 2.122,386 5.222,387 1.766,388 2.843,389 1.807,390 4.576,391 2.511,392 1.558,393 1.925,395 4.535,396 1.467,397 2.781,398 1.483,399 4.029,400 2.394,401 1.407,402 1.819,404 3.18,405 1.367,406 2.5,407 1.153,408 3.607,409 2,410 1,411 1.5,413 2.568,414 1,415 2.45,416 1,417 3.414,418 1.918,419 0.942,420 1.348,422 2.275,423 0.916,424 1.838,425 0.761,426 3.345,427 1.652,428 0.664,429 0.752,431 1.668,432 0.655,433 1.115,434 0.51,435 2.878,436 0.783,437 -0.184,438 -0.221,440 -0.473,441 -0.177,442 0.825,443 0.51,444 2.578,445 0.516,446 -0.477,447 -0.572,449 -1.173,450 -0.473,451 0.65,452 0.221,453 2.481,454 0.282,455 -0.706,456 -0.839,458 -1.848,459 -0.696,460 0.5,461 -0.293,462 2.29,463 0.18,464 -0.78,465 -0.892,467 -1.908,468 -0.7,469 11.157,470 0.465,471 0.809,472 0.034,473 28.5,474 1.188,475 13.5,476 0.563,477 15,478 0.625,479 20.436,480 0.851,481 26.043,482 0.635,483 21.622,484 0.901,485 5.611,486 0.234,487 5.838,488 0.243,489 0.122,490 0.045,491 0.35,493 3,496 0.478,497 0.863,498 0.641,499 0.98,500 0.543,501 0.909,502 0.384,503 0.705,504 0.702,505 0.9,506 0.303,507 0.906,508 0.5,509 0.854,510 0.822,511 1.061,512 0.405,513 1.056,514 0.847,515 0.96,516 1.052,517 1.078,518 0.747,519 1.114,520 0.743,521 0.749,522 1.092,523 0.968,524 0.659,525 1.089,526 0.297,527 0.636,528 0.842,529 1.031,530 0.28,531 1.105,532 0.6,533 0.682,534 0.775,535 0.852,536 0.754,537 0.881,538 1.306,539 1.372,540 0.921,541 1.168,542 1.451,543 1.004,544 5.5,545 0.128,546 3.556,547 2.417,548 1.499,549 1.004,550 0.527,551 0.43,552 0.241,553 0.157,554 6128,555 19443,556 2.099,557 41.5,558 4,559 12,563 1,567 1.669,568 1.933,569 3.166,570 -0.782,575 62.707,576 1.529,577 3.259,578 4.111,579 4.599,580 4.833,581 4.833,582 2.678,583 4.137,584 4.555,585 3.335,586 920.594,587 7.864,588 10348.5,590 1,593 219.66,594 1.666,595 4.495,596 0.204,597 0.014,598 0.087,599 0.058,600 0.039,601 0.033,602 0.023,603 0.02,604 0.011,605 0.013,606 0.502,607 0.67,608 0.88,609 0.813,610 112.239,611 0.024,612 0.02,613 0.044,614 0.022,615 -0.066,616 0.031,617 0.409,618 0.271,619 0.12,620 0.08,621 0.466,622 0.024,623 0.003,624 -0.106,625 -0.006,626 -0.106,627 0.057,628 -0.072,629 -0.089,630 -0.108,631 -0.137,632 -0.133,633 -0.027,634 -0.145,635 -0.089,636 0.009,637 -0.164,638 -0.035,639 -0.059,640 -0.094,641 0.075,642 -0.072,643 0.066,644 -0.08,645 0.048,646 -0.033,647 0.171,648 0.098,649 0.246,650 0.119,651 0.004,652 0.173,653 0.118,654 -0.153,655 0.176,656 -0.162,657 0.031,658 -0.045,659 5.55,660 4.774,661 0.792,662 19.139,663 1.017,664 1.14,665 4.948,666 24.483,667 0.675,668 3.332,669 3.738,670 4.043,671 4.357,672 4.615,673 4.771,674 4.997,675 5.147,676 5.17,677 5.231,678 5.514,679 0.657,680 330.38,681 3.332,682 4.92,683 5.802,684 6.725,685 7.627,686 8.553,687 9.463,688 10.391,689 11.306,690 12.235,691 4.9,694 1,700 1,709 8,714 4,716 12,738 41,739 13,740 2,741 27,743 44,744 19,745 12,746 4,747 8,748 1,752 4,753 7,755 1,759 1,763 3,764 1,765 1,766 3,768 13,769 6,770 1,772 1,781 1,782 1,787 3,789 17,790 5,792 5,797 2,803 0.5,822 1,823 3,826 1,827 1,855 2,859 1,861 3,862 24,869 2,874 2,875 1,876 1,885 3,893 12.417,894 7.662,895 5,896 2.526,898 2.675,899 1.35,900 1.014,901 3.507,902 10.307,903 3.555,904 4.159,905 4.727,906 5.274,907 5.789,908 6.021,909 6.42,910 6.74,911 7.071,912 7.375,913 1,914 42,915 9.283,917 4.478,918 8.094,919 16.842,921 14.694,924 2.594,925 62.25,928 1,929 200.109,930 112.534,931 19.665,934 44.88,936 112.534,937 200.109,938 64.545,939 8.396,940 5.069,941 75.81,942 2.757,943 77.287,945 200.109,946 7.76,947 200.109,948 132.199,949 44.88,952 200.109,953 44.88,956 32.493,957 99.705,960 244.989,961 19.665,962 112.534,965 207.868,966 20.568,967 87.208,969 61.543,970 200.109,971 64.545,972 112.534,973 0.605,974 0.353,975 0.19,976 0.103,977 23,978 10,979 0.023,980 1,981 2,982 1.211,983 3.511,984 210.314,985 0.211,986 19,987 101.284,993 15.413,994 5.461,995 2.571,997 64.545,998 13.755,1003 2.75,1006 377.188,1007 34,1016 4.709,1017 1.059,1020 41.694,1021 46.753,1022 0.285,1023 0.608,1024 0.767,1025 0.858,1026 0.902,1027 0.902,1028 4.852,1029 1.407,1030 5.855,1031 4.535,1032 4.419,1033 4.844,1034 3.132,1035 6.772,1036 4.335,1037 6.083,1038 1,1039 7.488,1040 3.18,1041 4.29,1042 4.691,1043 3.903,1044 8.028,1045 4.052,1046 7.42,1047 0.942,1048 9.233,1049 2.568,1050 6.163,1051 6.991,1052 5.425,1053 11.095,1054 5.977,1055 8.792,1056 0.664,1057 11.042,1058 2.275,1059 6.825,1060 7.6,1061 6.69,1062 13.125,1063 6.491,1064 10.195,1065 -0.184,1066 12.891,1067 1.668,1068 8.248,1069 9.425,1070 8.058,1071 15.777,1072 7.933,1073 11.621,1074 -0.477,1075 14.767,1076 -0.473,1077 9.231,1078 10.39,1079 9.388,1080 18.08,1081 8.803,1082 13.064,1083 -0.706,1084 16.661,1085 -1.173,1086 10.499,1087 12.001,1088 10.734,1089 20.604,1090 10.059,1091 3.348,1092 -0.78,1093 18.568,1094 -1.848,1095 11.609,1096 13.148,1097 12.074,1098 23.007,1099 11.087,1100 3.295,1101 11.99,1102 20.485,1103 -1.908,1104 12.825,1105 14.651,1106 13.416,1107 25.49,1108 12.275,1109 2.839,1110 11.653,1111 22.408,1112 4.045,1113 13.986,1114 15.898,1115 14.758,1116 27.931,1117 13.374,1118 2.274,1119 9.829,1120 24.337,1121 3.853,1122 15.186,1123 17.344,1124 16.1,1125 30.403,1126 14.538,1127 1.88,1128 7.061,1129 26.271,1130 3.408,1131 16.366,1132 18.647,1133 17.441,1134 32.859,1135 15.67,1136 1.812,1137 5.557,1138 28.207,1139 2.981,1140 17.562,1141 20.063,1142 18.783,1143 35.328,1144 16.83,1145 1.558,1146 5.222,1147 30.147,1148 2.267,1149 18.752,1150 21.398,1151 20.124,1152 37.792,1153 17.979,1154 5861,1155 10622,1156 17.8,1157 27.677,1158 42.84,1159 41.715,1160 43.091,1161 42.302,1162 42.037,1163 52.043,1164 10.53,1165 131.074,1166 40.202,1167 5.497,1168 6.46,1169 6.796,1170 5.319,1171 5.348,1172 7.045,1173 5.335,1174 19.574,1175 5.267,1176 12.272,1177 1.587,1178 1.545,1179 1.596,1180 1.567,1181 1.557,1182 1.928,1183 0.39,1184 4.855,1185 1.489,1186 4.081,1187 4.116,1188 4.028,1189 4.003,1190 8.513,1191 4.003,1192 3.91,1193 3.936,1194 3.864,1195 3.849,1196 7.999,1197 3.846,1198 3.658,1199 3.711,1200 3.596,1201 3.52,1202 7.999,1203 3.526,1204 3.351,1205 3.428,1206 3.296,1207 3.173,1208 4.863,1209 3.171,1210 3.277,1211 3.333,1212 3.164,1213 2.99,1214 4.676,1215 3.034,1216 3.03,1217 3.116,1218 2.845,1219 2.863,1220 4.51,1221 2.846,1222 2.854,1223 2.925,1224 2.704,1225 2.735,1226 3.919,1227 2.715,1228 2.828,1229 2.889,1230 2.687,1231 2.675,1232 3.762,1233 2.674,1234 0.169,1235 0.165,1236 0.263,1237 0.16,1238 0.124,1239 4.55,1240 0.15,1241 4.46,1242 0.142,1243 7.112,1244 0.444,1245 4.316,1246 0.121,1247 3.348,1248 4.045,1249 3.825,1250 11.99,1251 3.267,1252 1.996,1253 1.971,1254 2.109,1255 2.07,1256 1.423,1257 2.085,1258 1.915,1259 1.89,1260 2.015,1261 2.005,1262 1.17,1263 2.007,1264 1.557,1265 1.51,1266 1.759,1267 1.726,1268 0.95,1269 1.73,1270 1.376,1271 1.295,1272 1.647,1273 1.632,1274 0.759,1275 1.643,1276 1.166,1277 1.11,1278 1.384,1279 1.425,1280 0.619,1281 1.378,1282 1.029,1283 0.974,1284 1.206,1285 1.269,1286 0.339,1287 1.259,1288 0.886,1289 0.821,1290 1.181,1291 1.073,1292 0.218,1293 1.107,1294 0.819,1295 0.754,1296 1.048,1297 1.062,1298 0.211,1299 1.081,1300 4.007,1302 5.389,1303 2.398,1304 6.969,1305 4.844,1306 8.635,1307 7.05,1308 10.347,1310 1.899,1312 38.323,1315 1.941,1320 0.22,1321 1.894,1322 -4.3,1326 26.934,1327 62.707,1328 133.621,1329 168.54,1330 188.54,1331 198.15,1332 198.15,1333 43.519,1334 7.632,1335 15.6,1336 15.6,1337 23,1338 12.74,1339 3.807,1340 3,1341 33.869,1342 78,1343 72,1344 0.217,1345 160.143,1346 287.75,1347 382.508,1348 20245,1349 7.3,1350 16.897,1351 0.704,1352 0.551,1353 14.397,1354 13.216,1355 11.449,1356 0.424,1357 0.297,1358 7.897,1359 10.989,1360 7.743,1361 6.338,1362 10.237,1363 8.017,1364 11.382,1365 0.278,1366 0.157,1367 9.424,1368 6.426,1369 9.275,1370 0.166,1371 0.089,1372 8.339,1373 4.998,1374 8.117,1375 0.105,1376 0.05,1377 7.417,1378 3.881,1379 6.663,1380 0.067,1381 0.029,1382 6.377,1383 2.856,1384 0.332,1385 72.009,1386 0.237,1387 23.01,1388 0.62,1389 136,1390 513.624,1391 157.152,1392 421.986,1393 558.39,1394 392,1395 165,1396 399.462,1397 180.916,1398 387.86,1399 590.9,1400 365,1401 4.1}
{0 CHEMBL1420268,1 1.574,2 8.692,3 4.484,4 20.105,5 104.267,6 8.757,7 0.444,8 3.938,9 4.04,10 3.633,11 3.495,12 5.064,13 3.46,14 4.462,15 4.613,16 4.008,17 3.84,18 5.608,19 3.776,20 4.712,21 4.905,22 4.097,23 3.958,24 5.767,25 3.887,26 4.735,27 4.891,28 4.116,29 3.966,30 6.121,31 3.919,32 4.822,33 4.994,34 4.169,35 4.068,36 6.015,37 4.035,38 4.981,39 5.153,40 4.243,41 4.17,42 6.235,43 4.134,44 5.03,45 5.216,46 4.176,47 4.178,48 6.216,49 4.093,50 4.906,51 5.137,52 4.093,53 4.126,54 5.849,55 3.929,56 0.039,57 0.608,58 8.093,59 4.696,60 8.244,61 5.712,62 0.373,63 0.957,64 18.213,65 7.795,66 43.319,67 9.575,68 0.399,69 1.182,70 33.661,71 9.938,72 50.345,73 11.938,74 0.921,75 1.199,76 30.585,77 9.478,78 108.963,79 11.443,80 0.397,81 1.318,82 26.924,83 10.358,84 68.513,85 12.765,86 0.556,87 1.496,88 34.763,89 12.24,90 82.982,91 14.355,92 0.795,93 1.522,94 40.057,95 13.078,96 107.944,97 15.072,98 0.425,99 1.387,100 40.003,101 13.728,102 62.336,103 17.266,104 39,105 35,106 0.27,107 0.564,108 0.697,109 0.771,110 0.781,111 0.781,112 3.305,113 1.029,114 -5.09,115 -4.99,116 -4.67,118 1,120 41.7,121 2,123 1,126 2,128 1,143 9,144 1,145 2,159 2,174 8,176 2,177 6,182 4,185 11,194 4,197 9,200 4,201 6,204 4,206 2,209 8,214 8,219 2,222 9,227 20,232 2,235 10,240 12,247 12,260 13,264 4,271 8,274 1176,275 17.552,276 17.552,277 17.552,278 17.552,279 17.552,280 15.789,281 19.936,282 10.851,283 18.157,284 13.252,285 13.252,286 13.252,287 13.252,288 13.252,289 10.621,290 24.595,291 4.988,292 14.062,293 4.011,294 2.293,295 1.517,296 1.089,297 1.031,298 1.031,299 3.967,306 1,307 1,308 454,309 4.301,313 202.23,320 1.124,321 31.618,324 1,325 0.83,326 0.83,327 1,328 1,329 1,330 1,331 0.95,332 56.25,333 226,334 4.336,335 4.066,336 6.846,337 4.164,338 3.178,339 3.688,340 2.643,341 11.326,342 3.127,343 4.001,344 3.486,345 5.844,346 3.587,347 2.626,348 3.567,349 2.298,350 7.967,351 2.528,352 3.866,353 3.12,354 5.393,355 3.468,356 2.495,357 3.259,358 0.657,359 7.061,360 2.41,361 3.423,362 2.893,363 4.899,364 2.975,365 2.085,366 2.711,367 0.405,368 5.713,369 1.891,370 3.372,371 2.418,372 4.894,373 2.971,374 2.026,375 2.491,376 0.211,377 5.288,378 1.768,379 3.049,380 1.953,381 4.425,382 2.652,383 1.684,384 2.225,386 4.148,387 1.579,388 2.5,389 1.81,390 3.63,391 2.18,392 1.249,393 1.5,395 2.731,396 1.151,397 2.5,398 1.798,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.47,407 1.408,408 3.394,409 2,410 1,411 1.453,413 2.136,414 1,415 2.115,416 1,417 3.247,418 1.89,419 0.929,420 1.06,422 1.903,423 0.877,424 2.085,425 1,426 2.915,427 1.877,428 0.914,429 1,431 1.423,432 0.863,433 1.487,434 0.97,435 2.787,436 1.147,437 0.202,438 0.235,440 0.448,441 0.169,442 1.115,443 0.459,444 2.403,445 0.723,446 -0.185,447 -0.213,449 -0.397,450 -0.135,451 0.692,452 0.331,453 2,454 0.395,455 -0.585,456 -0.657,458 -0.883,459 -0.499,460 0.667,461 0.14,462 1.941,463 0.385,464 -0.621,465 -0.751,467 -1.053,468 -0.563,469 13.067,470 0.503,471 0.524,472 0.02,473 31,474 1.192,475 15.5,476 0.596,477 15.5,478 0.596,479 24.048,480 0.925,481 28.333,482 0.59,483 24.096,484 0.927,485 6.172,486 0.237,487 6.39,488 0.246,489 0.23,491 0.268,496 0.727,497 1.235,498 0.521,499 0.964,500 0.595,501 0.958,502 0.798,503 1.149,504 0.607,505 0.899,506 0.585,507 0.961,508 1.239,509 1.044,510 0.923,511 0.899,512 1.042,513 0.878,514 0.991,515 0.995,516 0.795,517 0.92,518 1.323,519 0.976,520 1.251,521 1.088,522 0.358,523 0.854,524 1.478,525 0.884,526 1.55,527 1.034,528 0.534,529 0.875,530 1.461,531 0.922,532 1.757,533 0.88,534 0.694,535 0.818,536 1.727,537 0.987,538 0.815,539 1.066,540 0.908,541 1.039,542 0.861,543 1.18,544 4.5,545 0.07,546 2.667,547 1.938,548 1.573,549 1.104,550 0.531,551 0.465,552 0.352,553 0.153,554 6279,555 20359,556 1.952,557 45.8,559 14,562 1,563 1,564 6,567 1.704,568 1.814,569 3.037,570 -0.332,572 1,575 75.532,576 1.574,577 3.292,578 4.068,579 4.496,580 4.554,581 4.554,582 2.43,583 3.854,584 4.669,585 3.207,586 1042.23,587 8.163,588 13077.4,590 1,592 1,593 268.078,594 1.448,595 4.62,596 0.167,597 0.014,598 0.076,599 0.051,600 0.038,601 0.024,602 0.011,603 0.012,604 0.013,605 0.01,606 0.416,607 0.17,608 1,609 1.673,610 124.582,611 -0.029,612 -0.084,613 0.004,614 -0.047,615 -0.053,616 -0.011,617 0.148,618 -0.08,619 0.028,620 0.01,621 0.095,622 -0.022,623 -0.154,624 -0.016,625 -0.028,626 0.044,627 -0.118,628 0.066,629 0.346,630 0.07,631 -0.068,632 -0.034,633 0.219,634 -0.087,635 -0.107,636 -0.06,637 0.025,638 -0.03,639 -0.097,640 0.024,641 -0.214,642 -0.025,643 -0.036,644 -0.034,645 -0.071,646 -0.028,647 -0.349,648 0.1,649 -0.076,650 0.048,651 -0.261,652 -0.088,653 -0.082,654 -0.124,655 -0.011,656 -0.058,657 -0.111,658 -0.165,659 2.444,660 5.548,661 0.462,662 20.959,663 1.007,664 1.12,665 3.864,666 14.931,667 0.678,668 3.332,669 3.584,670 3.807,671 4.043,672 4.234,673 4.22,674 4.234,675 4.277,676 4.234,677 3.892,678 5.47,679 0.64,680 420.33,681 3.332,682 4.828,683 5.645,684 6.5,685 7.347,686 8.214,687 9.074,688 9.947,689 10.812,690 11.688,691 2.1,696 1,709 9,714 3,716 12,729 1,737 1,738 48,739 14,740 2,741 27,742 1,743 49,744 20,745 12,746 3,747 9,752 2,753 2,759 2,766 1,768 14,769 6,770 1,772 2,778 2,782 2,786 1,789 22,790 5,791 1,792 6,793 1,797 1,803 1,804 4,823 2,841 2,855 2,858 1,859 2,862 26,869 2,871 1,872 2,874 2,885 1,886 8.3,889 2,891 2,893 14.333,894 8.976,895 6.111,896 3.043,898 1.754,899 1.272,900 0.92,901 8.14,902 8.201,903 3.584,904 4.06,905 4.5,906 4.966,907 5.416,908 5.382,909 5.626,910 5.972,911 6.288,912 6.232,913 0.833,914 38,915 9.681,917 3.999,918 7.894,919 18.077,921 13.995,924 2.394,925 62.25,928 1,929 247.193,930 135.501,931 63.965,933 72.29,936 181.456,937 319.483,938 18.011,939 17.65,940 9.185,941 85.286,942 82.683,943 30.997,945 247.193,946 45.954,947 247.193,948 153.512,949 72.29,951 45.954,952 176.567,953 142.916,956 26.835,957 108.666,958 18.011,959 45.954,960 247.193,961 90.3,962 181.456,965 247.193,966 32.565,967 102.937,968 63.965,969 72.29,970 247.193,971 90.3,972 181.456,973 0.554,974 0.322,975 0.184,976 0.105,977 13,978 7,979 0.204,980 10,982 1,983 3.572,984 209.054,986 12,987 104.211,993 20.468,994 10.34,995 5.844,997 90.3,998 16.828,1003 2.508,1005 18.011,1006 518.949,1007 35,1013 25.096,1017 -1.214,1020 48.36,1021 53.745,1022 0.282,1023 0.589,1024 0.728,1025 0.805,1026 0.815,1027 0.815,1028 4.779,1029 1,1030 5.602,1031 2.731,1032 4.263,1033 4.745,1034 3.13,1035 6.378,1036 4.169,1037 5.939,1038 1,1039 7.138,1040 2.275,1041 3.761,1042 4.35,1043 2.882,1044 7.277,1045 3.614,1046 7.208,1047 0.929,1048 8.784,1049 2.136,1050 5.802,1051 6.766,1052 4.617,1053 10.403,1054 5.652,1055 8.511,1056 0.914,1057 10.497,1058 1.903,1059 6.155,1060 7.128,1061 5.043,1062 12.209,1063 5.982,1064 9.846,1065 0.202,1066 12.257,1067 1.423,1068 7.649,1069 9.043,1070 6.322,1071 14.864,1072 7.471,1073 11.202,1074 -0.185,1075 14.051,1076 0.448,1077 8.411,1078 9.757,1079 7.025,1080 17.043,1081 8.223,1082 12.574,1083 -0.585,1084 15.869,1085 -0.397,1086 9.683,1087 11.442,1088 8.12,1089 19.545,1090 9.488,1091 3.178,1092 -0.621,1093 17.708,1094 -0.883,1095 10.645,1096 12.351,1097 8.953,1098 21.875,1099 10.443,1100 2.626,1101 11.326,1102 19.562,1103 -1.053,1104 11.829,1105 13.906,1106 9.969,1107 24.326,1108 11.619,1109 2.495,1110 7.967,1111 21.429,1112 3.688,1113 12.889,1114 14.936,1115 10.865,1116 26.715,1117 12.669,1118 2.085,1119 7.061,1120 23.306,1121 3.567,1122 14.043,1123 16.406,1124 11.848,1125 29.15,1126 13.813,1127 2.026,1128 5.713,1129 25.192,1130 3.259,1131 15.149,1132 17.517,1133 12.776,1134 31.562,1135 14.908,1136 1.684,1137 5.288,1138 27.084,1139 2.711,1140 16.295,1141 18.932,1142 13.745,1143 33.991,1144 16.042,1145 1.249,1146 4.148,1147 28.982,1148 2.491,1149 17.424,1150 20.098,1151 14.69,1152 36.411,1153 17.159,1154 6501,1155 11809,1156 17.394,1157 32.551,1158 39.299,1159 40.68,1160 41.156,1161 38.98,1162 38.777,1163 49.379,1164 12.428,1165 104.836,1166 36.725,1167 5.247,1168 6.066,1169 6.648,1170 5.183,1171 5.178,1172 6.688,1173 4.455,1174 18.488,1175 5.127,1176 14.442,1177 1.456,1178 1.507,1179 1.524,1180 1.444,1181 1.436,1182 1.829,1183 0.46,1184 3.883,1185 1.36,1186 3.991,1187 4.021,1188 6.88,1189 3.917,1190 7.446,1191 3.911,1192 3.853,1193 3.879,1194 3.915,1195 3.817,1196 7.417,1197 3.799,1198 3.707,1199 3.718,1200 3.717,1201 3.519,1202 4.806,1203 3.544,1204 3.51,1205 3.566,1206 3.638,1207 3.275,1208 4.717,1209 3.274,1210 3.404,1211 3.479,1212 3.357,1213 3.228,1214 4.484,1215 3.211,1216 3.12,1217 3.168,1218 3.204,1219 2.968,1220 4.434,1221 2.948,1222 2.956,1223 2.943,1224 2.954,1225 2.774,1226 4.09,1227 2.74,1228 2.854,1229 2.925,1230 2.859,1231 2.735,1232 3.706,1233 2.715,1234 0.161,1235 0.151,1236 0.254,1237 0.154,1238 0.118,1239 4.336,1240 0.137,1241 4.066,1242 0.098,1243 6.846,1244 0.419,1245 4.164,1246 0.116,1247 3.178,1248 3.688,1249 2.643,1250 11.326,1251 3.127,1252 1.949,1253 1.922,1254 2.058,1255 2.051,1256 1.252,1257 2.055,1258 1.857,1259 1.833,1260 1.947,1261 1.926,1262 1.054,1263 1.945,1264 1.615,1265 1.598,1266 1.825,1267 1.839,1268 0.954,1269 1.825,1270 1.476,1271 1.409,1272 1.8,1273 1.738,1274 0.937,1275 1.756,1276 1.408,1277 1.333,1278 1.656,1279 1.613,1280 0.868,1281 1.639,1282 1.034,1283 0.995,1284 1.201,1285 1.289,1286 0.295,1287 1.27,1288 0.886,1289 0.821,1290 1.181,1291 1.146,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.007,1302 5.273,1304 6.742,1306 8.307,1308 9.924,1309 3.397,1310 3.416,1315 0.378,1317 3.279,1318 10.287,1320 -1.726,1326 30.701,1327 75.532,1328 158,1329 195.284,1330 215.814,1331 218.568,1332 218.568,1333 66.83,1334 6.447,1335 64.63,1336 64.63,1337 12,1338 12.229,1339 3.907,1340 3.17,1341 54.125,1342 78,1343 100,1344 0.32,1345 199.104,1346 352.36,1347 477.575,1348 3927,1349 2.1,1350 18.941,1351 0.728,1352 0.629,1353 19.941,1354 16.362,1355 12.562,1356 0.465,1357 0.343,1358 8.403,1359 11.498,1360 8.138,1361 6.766,1362 13.139,1363 9.26,1364 10.533,1365 0.301,1366 0.184,1367 11.349,1368 6.437,1369 8.293,1370 0.188,1371 0.097,1372 8.87,1373 4.268,1374 6.876,1375 0.123,1376 0.051,1377 7.21,1378 2.842,1379 5.246,1380 0.077,1381 0.03,1382 5.718,1383 2.016,1384 0.48,1385 87.124,1386 0.24,1387 24.543,1388 0.954,1389 124,1390 417.929,1391 203.659,1392 427.351,1393 555.59,1394 398,1395 141,1396 360.887,1397 181.562,1398 371.901,1399 541.53,1400 351,1401 4.817}
{0 CHEMBL1420325,1 1.733,2 7.864,3 3.118,4 9.723,5 86.55,6 9.47,7 0.458,8 3.661,9 3.716,10 3.648,11 3.438,12 4.808,13 3.344,14 4.214,15 4.311,16 4.011,17 3.86,18 5.56,19 3.75,20 4.495,21 4.63,22 4.108,23 3.978,24 5.722,25 3.867,26 4.519,27 4.66,28 4.082,29 3.973,30 5.737,31 3.856,32 4.512,33 4.667,34 3.899,35 3.835,36 6.039,37 3.736,38 4.41,39 4.584,40 3.632,41 3.609,42 6.025,43 3.513,44 4.069,45 4.304,46 3.321,47 3.332,48 5.308,49 3.161,50 3.541,51 3.675,52 3.12,53 2.997,54 5.003,55 2.854,56 0.067,57 0.436,58 6.486,59 3.74,60 21.145,61 3.671,62 0.205,63 0.767,64 16.814,65 7.325,66 54.893,67 7.172,68 0.348,69 1.014,70 18.735,71 8.78,72 80.679,73 8.71,74 0.237,75 1.073,76 23.452,77 9.994,78 61.15,79 10.057,80 0.46,81 1.075,82 25.274,83 9.666,84 125.191,85 9.679,86 0.562,87 0.94,88 18.359,89 7.559,90 163.729,91 7.26,92 0.281,93 0.741,94 17.949,95 6.42,96 70.285,97 6.722,98 0.116,99 0.438,100 11.04,101 4.049,102 24.655,103 3.473,104 30,105 36,106 0.311,107 0.648,108 0.751,109 0.811,110 0.825,111 0.825,112 3.148,113 1.183,114 -3.6,115 -3.57,116 -3.4,120 45.7,122 2,123 1,125 1,143 5,144 3,153 1,154 1,158 1,159 1,174 11,176 1,177 2,185 16,189 8,197 13,201 7,209 10,213 2,214 7,222 7,226 3,227 6,235 5,240 5,247 3,252 6,260 1,264 5,274 556,275 14.411,276 14.411,277 14.411,278 14.411,279 14.411,280 12.577,281 14.065,282 8.248,283 14.782,284 11.799,285 11.799,286 11.799,287 11.799,288 11.799,289 8.796,290 12.315,291 3.843,292 12.489,293 3.396,294 1.521,295 0.946,296 0.615,297 0.536,298 0.536,299 3.82,305 1,306 1,307 1,308 365,309 3.24,312 45.429,313 116.072,316 81.344,320 1.252,321 37.058,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 47.5,333 173,334 4.914,335 5.193,336 7.371,337 4.387,338 3.487,339 4.782,340 2.95,341 12.912,342 3.227,343 4.398,344 4.077,345 6.59,346 3.949,347 3.007,348 4.037,349 2.035,350 10.274,351 2.785,352 4.042,353 3.676,354 6.101,355 3.677,356 2.705,357 3.538,358 1.277,359 8.894,360 2.559,361 3.76,362 3.031,363 5.654,364 3.292,365 2.298,366 2.993,368 7.252,369 2.263,370 3.242,371 2.928,372 4.734,373 2.818,374 1.826,375 2.367,377 4.962,378 1.811,379 3.159,380 2.422,381 4.505,382 2.404,383 1.427,384 1.989,386 4.129,387 1.377,388 2.821,389 1.885,390 4.338,391 2.29,392 1.36,393 1.888,395 3.732,396 1.25,397 2.521,398 1.674,399 3.527,400 2,401 1.017,402 1.5,404 2.597,405 1,406 2.5,407 1.18,408 3.247,409 1.96,410 1,411 1.339,413 2.136,414 0.934,415 2.36,416 1,417 3.018,418 1.266,419 0.362,420 0.707,422 0.567,423 0.322,424 1.138,425 0.99,426 2.804,427 0.743,428 -0.273,429 -0.354,431 -0.69,432 -0.27,433 1,434 0.483,435 2.688,436 0.461,437 -0.537,438 -0.641,440 -1.335,441 -0.531,442 0.788,443 0.05,444 2.393,445 0.101,446 -0.86,447 -1.072,449 -2.235,450 -0.763,451 0.5,452 -0.119,453 2.177,455 -1,456 -1.218,458 -2.347,459 -0.82,460 0.447,461 -0.535,462 2,464 -1,465 -1.5,467 -3,468 -0.943,469 11.067,470 0.503,471 0.758,472 0.034,473 30.5,474 1.386,475 17.5,476 0.795,477 13,478 0.591,479 17.734,480 0.806,481 22.533,482 0.644,483 20.976,484 0.953,485 5.364,486 0.244,487 5.05,488 0.23,489 0.172,490 0.075,491 0.316,496 0.38,497 0.905,498 0.775,499 0.981,500 0.544,501 0.813,502 0.542,503 0.892,504 0.848,505 0.924,506 0.49,507 0.871,508 1.017,509 0.914,510 0.819,511 0.879,512 1.014,513 0.937,514 0.754,515 1.201,516 1.048,517 1.224,518 0.808,519 1.11,520 0.875,521 1.173,522 1.116,523 1.19,524 0.86,525 1.106,526 1.513,527 0.892,528 0.887,529 0.749,530 1.429,531 1.009,532 0.992,533 0.753,534 0.952,535 0.752,536 1.107,537 0.804,538 1.137,539 1.301,540 1.637,541 1.45,542 1.141,543 1.153,544 5.5,545 0.037,546 2.889,547 2.035,548 2.256,549 0.986,550 0.516,551 0.285,552 0.169,553 0.09,554 4205,555 14802,556 2.006,557 37.1,558 3,559 8,563 2,567 1.652,568 1.821,569 2.951,570 -0.717,572 1,574 1,575 60.664,576 1.733,577 3.609,578 4.183,579 4.515,580 4.593,581 4.593,582 2.477,583 3.971,584 4.429,585 3.094,586 714.733,587 7.645,588 7507.07,589 1,590 1,591 1,592 1,593 179.525,594 1.742,595 4.35,596 0.229,597 0.012,598 0.08,599 0.055,600 0.061,601 0.03,602 0.022,603 0.018,604 0.013,605 0.011,606 0.531,607 0.5,608 1,609 1.003,610 98.353,611 0.11,612 0.037,613 0.162,614 0.014,615 -0.047,616 0.062,617 0.149,618 0.036,619 0.092,620 0.059,621 0.17,622 0.052,623 -0.085,624 0.009,625 0.074,626 0.052,627 -0.13,628 0.005,629 0.037,630 -0.25,631 -0.033,632 -0.215,633 -0.045,634 -0.13,635 0.157,636 -0.204,637 -0.135,638 -0.218,639 0.171,640 -0.135,641 -0.141,642 0.077,643 -0.102,644 0.074,645 -0.028,646 -0.09,647 -0.113,648 0.303,649 0.11,650 0.256,651 -0.133,652 0.274,653 -0.17,654 -0.183,655 -0.292,656 -0.23,657 -0.068,658 -0.168,659 4.419,660 5.499,661 0.682,662 16.116,663 1.015,664 1.099,665 2.367,666 5.6,667 0.75,668 3.219,669 3.611,670 3.892,671 4.22,672 4.5,673 4.585,674 4.673,675 4.779,676 4.745,677 4.7,678 4.811,679 0.706,680 331.44,681 3.219,682 4.796,683 5.666,684 6.592,685 7.494,686 8.424,687 9.338,688 10.269,689 11.191,690 12.123,691 2.9,700 1,709 5,713 1,714 5,716 11,718 1,721 1,738 35,739 15,740 1,741 24,743 37,744 16,745 10,746 1,747 5,748 1,752 3,753 4,763 2,764 1,766 2,767 1,768 11,769 4,770 1,772 3,776 1,778 3,782 1,785 1,786 1,789 13,790 4,792 6,793 2,797 1,803 0.667,804 3,822 1,823 2,826 1,855 2,857 2,859 1,862 22,865 1,869 2,874 1,877 1,880 1,882 1,884 1,886 8.6,889 3,893 12.083,894 6.783,895 4.722,896 2.029,898 2.317,899 1.334,900 0.995,901 3.723,902 9.259,903 3.57,904 4.201,905 4.737,906 5.329,907 5.828,908 6.126,909 6.278,910 6.557,911 6.824,912 7.126,913 1,914 37,915 8.402,917 3.978,918 8.163,919 15.347,921 13.368,924 2.663,925 58.583,929 153.024,930 129.615,931 31.059,933 69.458,935 37.324,936 92.291,937 222.482,938 31.059,939 7.19,940 5.069,941 53.427,942 91.193,943 40.616,944 1.358,945 184.302,947 153.024,948 123.35,949 69.458,950 37.324,952 153.024,953 69.458,956 36.128,957 87.222,958 6.046,959 31.278,960 153.024,961 100.517,962 129.615,964 6.046,965 153.024,966 52.395,967 54.572,968 16.602,969 100.517,970 153.024,971 100.517,972 129.615,973 0.596,974 0.347,975 0.195,976 0.12,977 19,978 9,979 0.054,980 2,981 1,982 1.133,983 3.224,984 181.967,985 0.133,986 15,987 92.107,989 1,992 1,993 15.092,994 5.427,995 2.663,997 100.517,998 9.649,1002 0.913,1003 2.256,1006 383.156,1007 34.5,1011 -3.502,1013 36.259,1017 -0.187,1020 35.538,1021 38.458,1022 0.338,1023 0.704,1024 0.816,1025 0.88,1026 0.896,1027 0.896,1028 4.85,1029 1.017,1030 5.727,1031 3.732,1032 4.29,1033 4.887,1034 3.399,1035 6.65,1036 4.186,1037 6.127,1038 1,1039 7.365,1040 2.597,1041 4.205,1042 5.066,1044 7.936,1045 3.982,1046 7.503,1047 0.362,1048 9.115,1049 2.136,1050 6.043,1051 7.24,1052 5.258,1053 11.014,1054 5.808,1055 8.918,1056 -0.273,1057 10.931,1058 0.567,1059 6.735,1060 8.23,1062 13.073,1063 6.361,1064 10.369,1065 -0.537,1066 12.788,1067 -0.69,1068 8.143,1069 9.964,1070 7.293,1071 15.764,1072 7.747,1073 11.844,1074 -0.86,1075 14.673,1076 -1.335,1077 9.148,1078 11.279,1080 18.114,1081 8.624,1082 13.34,1083 -1,1084 16.578,1085 -2.235,1086 10.419,1087 12.876,1088 9.399,1089 20.695,1090 9.85,1091 3.487,1092 -1,1093 18.497,1094 -2.347,1095 11.552,1096 14.324,1098 23.162,1099 10.874,1100 3.007,1101 12.912,1102 20.429,1103 -3,1104 12.783,1105 15.881,1106 11.536,1107 25.713,1108 12.043,1109 2.705,1110 10.274,1111 22.37,1112 4.782,1113 13.971,1114 17.386,1116 28.228,1117 13.135,1118 2.298,1119 8.894,1120 24.318,1121 4.037,1122 15.195,1123 18.934,1124 13.686,1125 30.776,1126 14.288,1127 1.826,1128 7.252,1129 26.273,1130 3.538,1131 16.408,1132 20.465,1134 33.312,1135 15.413,1136 1.427,1137 4.962,1138 28.234,1139 2.993,1140 17.635,1141 22.015,1142 15.844,1143 35.861,1144 16.565,1145 1.36,1146 4.129,1147 30.2,1148 2.367,1149 18.86,1150 23.559,1152 38.408,1153 17.707,1154 4221,1155 8065,1156 15.315,1157 26.233,1158 38.685,1159 42.282,1160 38.169,1161 37.006,1162 36.979,1163 50.281,1164 12.524,1165 114.91,1166 35.053,1167 5.861,1168 7.193,1169 7.173,1170 5.545,1171 5.487,1172 7.782,1173 5.9,1174 20.813,1175 5.227,1176 12.46,1177 1.612,1178 1.762,1179 1.59,1180 1.542,1181 1.541,1182 2.095,1183 0.522,1184 4.788,1185 1.461,1186 4.129,1187 4.108,1188 4.789,1189 4.181,1190 7.716,1191 4.077,1192 3.917,1193 3.92,1194 4.106,1195 3.88,1196 7.426,1197 3.845,1198 3.719,1199 3.708,1200 3.844,1201 3.68,1202 6.999,1203 3.597,1204 3.414,1205 3.441,1206 3.485,1207 3.343,1208 6.82,1209 3.307,1210 3.11,1211 3.14,1212 3.072,1213 2.95,1214 4.754,1215 2.959,1216 2.936,1217 3.002,1218 2.946,1219 2.737,1220 4.447,1221 2.757,1222 2.854,1223 2.925,1224 2.691,1225 2.735,1226 3.864,1227 2.715,1228 2.722,1229 2.798,1230 2.687,1231 2.612,1232 3.674,1233 2.56,1234 0.205,1235 0.216,1236 0.307,1237 0.183,1238 0.145,1239 4.914,1240 0.199,1241 5.193,1242 0.123,1243 7.371,1244 0.538,1245 4.387,1246 0.134,1247 3.487,1248 4.782,1249 2.95,1250 12.912,1251 3.227,1252 1.974,1253 1.957,1254 2.09,1255 2.053,1256 1.39,1257 2.07,1258 1.816,1259 1.852,1260 1.872,1261 1.877,1262 1.092,1263 1.939,1264 1.687,1265 1.683,1266 1.613,1267 1.769,1268 0.977,1269 1.818,1270 1.357,1271 1.345,1272 1.415,1273 1.47,1274 0.663,1275 1.477,1276 1.082,1277 1.051,1278 1.259,1279 1.257,1280 0.467,1281 1.26,1282 0.935,1283 0.877,1284 1.181,1285 1.132,1286 0.333,1287 1.178,1288 0.886,1289 0.821,1290 1.102,1291 1.062,1292 0.218,1293 1.107,1294 0.737,1295 0.673,1296 0.987,1297 0.956,1298 0.098,1299 0.986,1300 3.892,1302 5.263,1303 2.398,1304 6.83,1305 4.844,1306 8.487,1307 7.081,1308 10.194,1310 1.08,1315 0.807,1320 -0.004,1324 9.27,1325 2.042,1326 24.701,1327 60.664,1328 126.306,1329 146.405,1330 158.015,1331 160.77,1332 160.77,1333 58.09,1334 6.942,1335 75,1336 111.62,1337 17,1338 12.626,1339 4,1340 3.524,1341 34.214,1342 64,1343 64,1344 0.281,1345 159.693,1346 279.75,1347 381.412,1348 7791,1350 15.905,1351 0.723,1352 0.614,1353 16.509,1354 13.5,1355 10.414,1356 0.434,1357 0.394,1358 6.944,1359 9.092,1360 6.485,1361 5.342,1362 11.717,1363 9.463,1364 10.225,1365 0.284,1366 0.24,1367 12.244,1368 8.627,1369 7.981,1370 0.166,1371 0.142,1372 9.891,1373 6.812,1374 6.91,1375 0.103,1376 0.078,1377 8.641,1378 5.218,1379 5.992,1380 0.067,1381 0.047,1382 7.824,1383 4.162,1384 0.418,1385 77.441,1386 0.256,1387 21.034,1388 0.842,1389 120,1390 384.573,1391 190.96,1392 417.083,1393 548.23,1394 380,1395 144,1396 345.512,1397 218.273,1398 402.248,1399 582.74,1400 374,1401 4.75}
{0 CHEMBL1420393,1 1.664,2 9.545,3 3.362,4 11.303,5 82.35,6 8.888,7 0.667,8 3.63,9 3.722,10 3.345,11 3.217,12 4.95,13 3.229,14 4.074,15 4.184,16 3.682,17 3.575,18 5.522,19 3.576,20 4.279,21 4.442,22 3.674,23 3.636,24 5.577,25 3.618,26 4.3,27 4.476,28 3.559,29 3.51,30 5.677,31 3.495,32 4.102,33 4.285,34 3.361,35 3.305,36 5.491,37 3.291,38 3.975,39 4.149,40 3.205,41 3.159,42 5.366,43 3.156,44 3.81,45 3.968,46 3.185,47 3.125,48 5.146,49 3.111,50 3.815,51 3.981,52 3.217,53 3.11,54 5.444,55 3.089,56 0.141,57 0.48,58 4.214,59 2.578,60 5.565,61 2.816,62 0.273,63 0.739,64 7.344,65 4.138,66 37.094,67 4.485,68 0.265,69 0.87,70 11.745,71 5.408,72 27.439,73 6.149,74 0.436,75 0.841,76 13.817,77 5.409,78 63.424,79 5.752,80 0.306,81 0.679,82 11.597,83 4.606,84 37.549,85 5.108,86 0.37,87 0.582,88 10.743,89 3.891,90 59.561,91 3.793,92 0.267,93 0.521,94 7.914,95 3.386,96 35.5,97 3.647,98 0.407,99 0.527,100 8.159,101 3.245,102 67.255,103 3.883,104 11,105 33,106 0.3,107 0.548,108 0.729,109 0.871,110 0.897,111 0.897,112 3.146,113 0.817,114 -4.4,115 -4.33,116 -4.08,120 48.5,136 2,143 8,144 1,145 1,147 1,153 1,159 1,161 1,167 2,174 9,176 3,177 6,185 9,189 12,197 6,200 1,201 12,209 3,214 12,222 4,227 6,235 4,239 2,240 4,247 5,251 4,252 1,260 6,263 1,264 2,271 5,274 598,275 14.845,276 14.845,277 14.845,278 14.845,279 14.845,280 12.463,281 10.94,282 8.792,283 15.035,284 11.833,285 11.833,286 11.833,287 11.833,288 11.833,289 8.213,290 12.036,291 4.141,292 12.123,293 3.381,294 2.002,295 0.993,296 0.205,297 0.061,298 0.061,299 3.826,305 1,306 1,307 1,308 451,309 3.24,312 47.923,313 133.053,316 89.922,320 1.405,321 27.637,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48.5,333 210,334 4.581,335 3.78,336 6.679,337 4.088,338 3.135,339 4.514,340 2.612,341 10.751,342 2.986,343 4.283,344 3.618,345 5.976,346 3.796,347 2.817,348 3.987,349 0.98,350 8.466,351 2.757,352 3.868,353 2.872,354 5.627,355 3.408,356 2.413,357 3.319,359 7.267,360 2.394,361 3.685,362 2.543,363 5.234,364 3.215,365 2.228,366 3.107,368 6.493,369 2.194,370 3.096,371 1.819,372 4.481,373 2.534,374 1.55,375 2.326,377 4.218,378 1.524,379 3.045,380 1.781,381 3.984,382 2.505,383 1.528,384 2.299,386 3.469,387 1.487,388 2.911,389 1.545,390 3.768,391 2.35,392 1.348,393 2.038,395 3.04,396 1.349,397 2.599,398 1.195,399 3.561,400 2.015,401 1.055,402 1.594,404 2.569,405 1.01,406 2.559,407 1.131,408 3.436,409 2,410 1,411 1.564,413 2.323,414 1,415 2.267,416 1,417 3.139,418 1.581,419 0.606,420 0.936,422 1.405,423 0.588,424 1.929,425 0.842,426 2.895,427 1.319,428 0.309,429 0.495,431 0.723,432 0.31,433 1,434 0.586,435 2.237,436 0.444,437 -0.57,438 -0.771,440 -1.357,441 -0.572,442 0.865,443 -0.26,444 2,445 0.205,446 -0.783,447 -1.094,449 -1.905,450 -0.767,451 0.7,452 -0.479,453 2,454 0.184,455 -0.805,456 -1.208,458 -2,459 -0.798,460 0.665,461 -0.668,462 2,463 0.115,464 -0.875,465 -1.306,467 -2.14,468 -0.862,469 10.2,470 0.464,471 0.524,472 0.024,473 34.25,474 1.557,475 20,476 0.909,477 14.25,478 0.648,479 11.297,480 0.513,481 22.2,482 0.673,483 24.077,484 1.094,485 7.056,486 0.321,487 3.592,488 0.163,489 0.098,491 0.324,496 0.39,497 1.116,498 0.59,499 0.899,500 0.49,501 0.826,502 0.485,503 1.098,504 0.772,505 1.024,506 0.442,507 0.984,508 0.797,509 1.142,510 0.919,511 1.102,512 0.654,513 1.048,514 1.222,515 1.011,516 1.146,517 1.024,518 1.209,519 1.052,520 1.155,521 1.018,522 1.04,523 1.074,524 1.08,525 1.031,526 1.619,527 0.846,528 1.228,529 0.822,530 1.631,531 0.899,532 1.024,533 0.898,534 1.007,535 0.939,536 1.163,537 0.975,538 0.456,539 0.874,540 0.873,541 0.854,542 0.476,543 0.942,544 4,545 0.106,546 2.667,547 1.444,548 1.049,549 0.524,550 0.264,551 0.25,552 0.122,553 0.127,554 5197,555 18008,556 2.07,557 33.3,559 10,561 1,567 1.641,568 1.941,569 3.258,570 -0.717,572 1,574 1,575 54.901,576 1.664,577 3.043,578 4.052,579 4.84,580 4.984,581 4.984,582 2.681,583 3.971,584 4.436,585 3.394,586 784.099,587 7.598,588 8790.74,589 1,590 1,591 1,592 1,593 166.465,594 1.395,595 4.392,596 0.167,597 0.009,598 0.081,599 0.045,600 0.039,601 0.024,602 0.014,603 0.013,604 0.006,605 0.008,606 0.406,607 0.5,608 1,609 0.797,610 102.067,611 0.196,612 -0.041,613 0.059,614 0.011,615 -0.018,616 -0.012,617 0.196,618 -0.049,619 -0.048,620 -0.103,621 0.162,622 -0.137,623 -0.066,624 -0.155,625 -0.023,626 -0.139,627 0.018,628 -0.079,629 -0.168,630 -0.049,631 -0.132,632 -0.055,633 -0.14,634 -0.074,635 -0.146,636 -0.083,637 -0.001,638 -0.085,639 -0.046,640 -0.014,641 -0.364,642 0.089,643 -0.164,644 0.162,645 -0.291,646 0.082,647 -0.041,648 0.067,649 -0.056,650 0.034,651 -0.167,652 -0.015,653 0.497,654 0.124,655 0.099,656 0.107,657 0.447,658 0.022,659 2.47,660 5.214,661 0.682,662 15.653,663 1.025,664 1.115,665 3.167,666 10.029,667 0.71,668 3.219,669 3.526,670 3.784,671 4.007,672 4.159,673 4.111,674 4.159,675 4.174,676 4.111,677 4.19,678 5.799,679 0.707,680 293.3,681 3.219,682 4.745,683 5.587,684 6.454,685 7.314,686 8.183,687 9.05,688 9.921,689 10.791,690 11.663,691 9.1,699 1,701 1,702 1,708 2,709 9,710 1,714 2,715 1,716 16,731 1,738 33,739 20,740 2,741 24,743 35,744 16,745 13,746 4,747 8,748 3,752 3,753 4,768 16,772 4,775 1,778 3,780 2,782 1,785 1,786 1,789 11,790 4,792 6,794 1,797 3,803 0.667,804 3,822 1,823 2,826 1,845 2,855 2,862 22,886 9.1,889 1,892 2,893 11.333,894 6.017,895 4.861,896 1.838,898 3.869,899 1.57,900 0.994,901 3.709,902 10.663,903 3.611,904 4.245,905 4.863,906 5.448,907 5.953,908 6.206,909 6.577,910 6.881,911 6.961,912 7.365,913 1,914 32,915 8.077,917 3.471,918 8.152,919 14.777,921 11.808,924 2.652,925 58.333,929 129.482,930 118.316,931 24.355,933 75.892,936 118.316,937 205.374,938 24.355,939 5.67,941 94.762,942 67.025,943 9.986,944 2.144,945 117.711,946 50.747,947 129.482,948 142.671,949 75.892,952 129.482,953 25.145,954 50.747,956 12.662,957 88.601,958 41.408,960 129.482,961 100.247,962 118.316,965 129.482,966 14.935,967 110.95,969 92.677,970 129.482,971 100.247,972 118.316,973 0.58,974 0.34,975 0.179,976 0.095,977 16,978 7,979 0.086,980 3,981 1,982 1.133,983 3.483,984 167.149,985 0.133,986 15,987 96.107,993 14.021,994 5.82,995 2.914,996 1.454,997 92.677,998 14.868,999 4.151,1003 0.578,1004 1.434,1006 348.045,1007 36,1010 -0.47,1013 33.667,1015 2.914,1017 -0.264,1020 33.822,1021 36.784,1022 0.33,1023 0.603,1024 0.803,1025 0.959,1026 0.988,1027 0.988,1028 4.812,1029 1.055,1030 5.565,1031 3.04,1032 4.205,1033 4.931,1034 2.648,1035 6.358,1036 4.157,1037 6.043,1038 1,1039 7.116,1040 2.569,1041 3.761,1042 4.771,1043 2.361,1044 7.252,1045 3.675,1046 7.357,1047 0.606,1048 8.77,1049 2.323,1050 5.778,1051 7.209,1052 4.183,1053 10.339,1054 5.666,1055 8.712,1056 0.309,1057 10.486,1058 1.405,1059 6.176,1060 7.916,1061 4.506,1062 12.094,1063 6.008,1064 10.099,1065 -0.57,1066 12.241,1067 0.723,1068 7.653,1069 9.794,1070 5.953,1071 14.691,1072 7.463,1073 11.511,1074 -0.783,1075 14.025,1076 -1.357,1077 8.435,1078 10.907,1079 6.556,1080 16.797,1081 8.182,1082 12.941,1083 -0.805,1084 15.828,1085 -1.905,1086 9.694,1087 12.555,1088 7.795,1089 19.236,1090 9.415,1091 3.135,1092 -0.875,1093 17.647,1094 -2,1095 10.657,1096 13.865,1097 8.548,1098 21.491,1099 10.314,1100 2.817,1101 10.751,1102 19.477,1103 -2.14,1104 11.828,1105 15.418,1106 9.67,1107 23.88,1108 11.451,1109 2.413,1110 8.466,1111 21.317,1112 4.514,1113 12.876,1114 16.822,1115 10.509,1116 26.199,1117 12.438,1118 2.228,1119 7.267,1120 23.165,1121 3.987,1122 14.014,1123 18.336,1124 11.563,1125 28.574,1126 13.535,1127 1.55,1128 6.493,1129 25.019,1130 3.319,1131 15.103,1132 19.786,1133 12.452,1134 30.922,1135 14.566,1136 1.528,1137 4.218,1138 26.878,1139 3.107,1140 16.23,1141 21.286,1142 13.468,1143 33.293,1144 15.648,1145 1.348,1146 3.469,1147 28.743,1148 2.326,1149 17.339,1150 22.759,1151 14.386,1152 35.654,1153 16.701,1154 5046,1155 9517,1156 16.008,1157 23.426,1158 36.645,1159 38.223,1160 37.061,1161 35.99,1162 35.978,1163 52.357,1164 7.184,1165 101.452,1166 35.195,1167 5.303,1168 5.78,1169 6.361,1170 5.123,1171 5.135,1172 7.514,1173 4.612,1174 17.8,1175 4.986,1176 10.109,1177 1.527,1178 1.593,1179 1.544,1180 1.5,1181 1.499,1182 2.182,1183 0.299,1184 4.227,1185 1.466,1186 4.117,1187 4.156,1188 4.087,1189 3.991,1190 7.815,1191 4.008,1192 3.986,1193 4.012,1194 3.949,1195 3.878,1196 7.429,1197 3.884,1198 3.611,1199 3.635,1200 3.568,1201 3.428,1202 6.999,1203 3.448,1204 3.449,1205 3.482,1206 3.398,1207 3.16,1208 5.021,1209 3.195,1210 3.249,1211 3.301,1212 3.154,1213 2.991,1214 4.723,1215 3.056,1216 2.939,1217 2.994,1218 2.843,1219 2.795,1220 4.333,1221 2.796,1222 2.8,1223 2.847,1224 2.679,1225 2.657,1226 4.133,1227 2.655,1228 2.621,1229 2.67,1230 2.492,1231 2.343,1232 3.764,1233 2.398,1234 0.191,1235 0.157,1236 0.278,1237 0.17,1238 0.131,1239 4.581,1240 0.188,1241 3.78,1242 0.109,1243 6.679,1244 0.448,1245 4.088,1246 0.124,1247 3.135,1248 4.514,1249 2.612,1250 10.751,1251 2.986,1252 1.95,1253 1.925,1254 2.042,1255 2.091,1256 1.133,1257 2.062,1258 1.909,1259 1.883,1260 2.005,1261 2.018,1262 1.102,1263 2.011,1264 1.569,1265 1.534,1266 1.678,1267 1.803,1268 0.687,1269 1.759,1270 1.286,1271 1.237,1272 1.424,1273 1.651,1274 0.445,1275 1.565,1276 1.137,1277 1.096,1278 1.267,1279 1.405,1280 0.213,1281 1.399,1282 0.957,1283 0.908,1284 1.127,1285 1.14,1286 0.195,1287 1.139,1288 0.779,1289 0.728,1290 1.052,1291 0.964,1292 0.09,1293 0.997,1294 0.712,1295 0.644,1296 0.995,1297 0.922,1298 0.045,1299 0.955,1300 3.892,1302 5.198,1303 2.398,1304 6.698,1305 4.727,1306 8.283,1307 6.843,1308 9.912,1326 23.316,1327 54.901,1328 100.411,1329 133.71,1330 159.71,1331 164.465,1332 164.465,1333 38.61,1334 6.793,1335 80.71,1336 80.71,1337 17,1338 12.205,1339 4.392,1340 3.7,1341 34.639,1342 78,1343 62,1344 0.22,1345 145.165,1346 248.55,1347 345.963,1348 7786,1350 15.527,1351 0.706,1352 0.519,1353 15.527,1354 11.417,1355 10.648,1356 0.444,1357 0.272,1358 6.442,1359 10.175,1360 6.339,1361 5.27,1362 10.648,1363 6.539,1364 9.541,1365 0.289,1366 0.14,1367 9.541,1368 4.627,1369 7.916,1370 0.184,1371 0.074,1372 7.916,1373 3.19,1374 6.398,1375 0.118,1376 0.039,1377 6.398,1378 2.125,1379 5.042,1380 0.08,1381 0.021,1382 5.042,1383 1.341,1384 0.348,1385 67.355,1386 0.25,1387 21.849,1388 0.596,1389 114,1390 408.142,1391 126.915,1392 393.49,1393 523.44,1394 362,1395 133,1396 385.339,1397 146.002,1398 384.511,1399 554.08,1400 360,1401 5.79}
{0 CHEMBL1420404,1 1.671,2 12.536,3 5.111,4 26.123,5 116.997,6 8.11,7 0.4,8 4.009,9 4.127,10 3.729,11 3.639,12 5.11,13 3.558,14 4.52,15 4.697,16 4.128,17 3.995,18 5.569,19 3.886,20 4.695,21 4.881,22 4.18,23 4.098,24 5.76,25 3.977,26 4.751,27 4.964,28 4.123,29 4.07,30 5.819,31 3.919,32 4.725,33 4.94,34 4.078,35 4.015,36 5.853,37 3.849,38 4.591,39 4.808,40 3.922,41 3.908,42 5.607,43 3.781,44 4.59,45 4.793,46 3.864,47 3.887,48 5.662,49 3.749,50 4.689,51 4.953,52 3.614,53 3.801,54 5.692,55 3.629,56 0.039,57 0.789,58 10.523,59 4.985,60 7.736,61 6.151,62 0.218,63 1.281,64 25.106,65 8.733,66 22.255,67 10.87,68 0.276,69 1.478,70 29.525,71 9.917,72 34.004,73 11.797,74 0.3,75 1.498,76 32.997,77 11.099,78 42.636,79 12.95,80 0.551,81 1.496,82 40.387,83 11.383,84 64.221,85 12.119,86 0.245,87 1.278,88 27.679,89 8.917,90 31.121,91 10.665,92 0.226,93 1.292,94 27.142,95 8.961,96 29.379,97 10.92,98 0.423,99 1.266,100 30.845,101 9.716,102 59.397,103 11.949,104 27,105 41,106 0.281,107 0.605,108 0.759,109 0.811,110 0.811,111 0.811,112 3.374,113 1.095,114 -4.74,115 -4.65,116 -4.37,120 39.2,121 4,122 1,126 1,128 1,143 5,144 2,147 2,151 1,158 1,159 1,160 1,167 1,174 8,176 1,177 8,180 2,182 1,185 11,189 6,192 1,194 2,197 7,200 1,201 10,206 1,209 7,213 3,214 7,217 2,219 1,222 4,227 5,232 2,235 5,239 2,240 8,245 5,247 4,251 2,252 2,257 1,260 2,264 5,269 1,271 8,274 1266,275 18.627,276 18.627,277 18.627,278 18.627,279 18.627,280 16.466,281 17.292,282 10.95,283 19.253,284 14.742,285 14.742,286 14.742,287 14.742,288 14.742,289 11.494,290 15.318,291 5.157,292 15.807,293 4.002,294 2.068,295 1.155,296 0.844,297 0.844,298 0.844,299 4.054,306 1,307 1,308 740,309 3.536,313 322.779,320 2.069,321 23.284,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 59.5,333 351,334 4.261,335 4.648,336 6.151,337 3.865,338 2.915,339 3.818,340 3.831,341 9.084,342 2.812,343 4.185,344 4.526,345 6.08,346 3.794,347 2.857,348 3.814,349 3.359,350 8.838,351 2.663,352 3.994,353 3.64,354 5.635,355 3.634,356 2.682,357 3.311,358 1.739,359 7.789,360 2.544,361 3.775,362 3.212,363 5.311,364 3.354,365 2.414,366 3.089,367 1.196,368 6.831,369 2.302,370 3.566,371 2.894,372 5.034,373 3.143,374 2.219,375 2.802,376 0.231,377 6.066,378 1.985,379 3.277,380 2.722,381 4.84,382 2.832,383 1.922,384 2.511,386 5.484,387 1.787,388 3.232,389 2.543,390 4.618,391 2.827,392 1.879,393 2.481,395 4.963,396 1.701,397 2.9,398 2.494,399 4.317,400 2.432,401 1.472,402 1.968,404 4.057,405 1.403,406 2.529,407 2.147,408 3.962,409 2.187,410 1.209,411 1.5,413 3.053,414 1.162,415 2.5,416 1.77,417 3.414,418 2,419 1,420 1.451,422 2.275,423 1,424 2.154,425 1,426 3.414,427 1.863,428 1,429 1.087,431 2.275,432 0.841,433 1.41,434 0.951,435 2.919,436 1.228,437 0.328,438 0.345,440 0.536,441 0.288,442 1.263,443 0.909,444 2.754,445 0.993,446 0.048,447 0.054,449 0.113,450 0.044,451 1.074,452 0.764,453 2.428,454 0.676,455 -0.287,456 -0.346,458 -0.684,459 -0.272,460 1,461 0.489,462 2.382,463 0.591,464 -0.347,465 -0.445,467 -0.891,468 -0.325,469 14,470 0.5,471 0.732,472 0.026,473 34.25,474 1.223,475 17,476 0.607,477 17.25,478 0.616,479 27.468,480 0.981,481 29.8,482 0.584,483 22.887,484 0.817,485 6.178,486 0.221,487 7.261,488 0.259,489 0.167,491 0.321,496 0.665,497 1.15,498 0.743,499 0.907,500 0.62,501 0.93,502 0.491,503 1.197,504 0.91,505 1.111,506 0.523,507 0.91,508 1.201,509 1.141,510 1.074,511 1.09,512 1.265,513 1.015,514 1.201,515 1.162,516 1.111,517 1.097,518 1.188,519 1.026,520 1.423,521 0.999,522 1.481,523 1.202,524 1.423,525 1.03,526 1.377,527 1.064,528 1.09,529 0.998,530 1.31,531 0.934,532 1.097,533 1.281,534 1.202,535 1.295,536 0.947,537 1.226,538 1.641,539 0.771,540 1.005,541 0.812,542 1.891,543 0.935,544 7,545 0.14,546 2.889,547 1.938,548 1.418,549 0.819,550 0.75,551 0.311,552 0.296,553 0.198,554 10412,555 27453,556 2.013,557 45.1,558 6,559 8,562 1,563 6,564 2,567 1.706,568 1.867,569 3.597,570 -0.288,575 85.204,576 1.671,577 3.605,578 4.518,579 4.829,580 4.829,581 4.829,582 3.101,583 4.066,584 4.779,585 3.792,586 1433.31,587 8.287,588 19746.7,593 289.294,594 1.47,595 4.727,596 0.233,597 0.007,598 0.07,599 0.047,600 0.038,601 0.024,602 0.023,603 0.01,604 0.013,605 0.008,606 0.474,607 0.17,608 1,609 0.787,610 143.286,611 0.052,612 -0.027,613 0.073,614 0.043,615 -0.029,616 0.016,617 0.327,618 -0.124,619 0.165,620 -0.03,621 0.162,622 0.083,623 -0.076,624 -0.058,625 -0.016,626 -0.056,627 -0.153,628 -0.064,629 -0.025,630 -0.122,631 -0.003,632 -0.045,633 0.012,634 -0.06,635 0.023,636 0.116,637 -0.152,638 -0.037,639 0.026,640 -0.075,641 -0.177,642 -0.021,643 -0.043,644 0.006,645 -0.101,646 0.017,647 -0.012,648 -0.232,649 -0.177,650 -0.293,651 0.075,652 -0.276,653 -0.214,654 0.156,655 -0.074,656 0.084,657 -0.22,658 0.008,659 1.768,660 5.676,661 0.643,662 29.357,663 0.999,664 1.123,665 3.51,666 12.317,667 0.699,668 3.434,669 3.738,670 3.932,671 4.143,672 4.317,673 4.331,674 4.344,675 4.369,676 4.466,677 4.394,678 7.385,679 0.646,680 413.62,681 3.434,682 4.963,683 5.784,684 6.642,685 7.476,686 8.336,687 9.174,688 10.034,689 10.874,690 11.733,691 9.8,698 1,700 2,701 2,709 5,710 2,714 5,716 12,719 1,738 51,739 15,740 1,741 30,743 53,744 20,745 10,746 2,747 4,748 2,752 3,753 3,759 4,766 2,768 13,769 7,772 3,778 1,781 2,782 3,789 23,790 6,791 1,792 8,793 2,797 5,803 1,804 1,817 1,823 3,838 1,855 3,856 2,857 2,859 4,862 28,869 2,871 1,873 2,874 1,886 2,889 1,893 15,894 10.55,895 6.222,896 3.139,898 2.707,899 1.38,900 0.953,901 7.008,902 9.827,903 3.689,904 4.248,905 4.71,906 5.205,907 5.668,908 5.775,909 5.92,910 6.162,911 6.464,912 6.532,913 1,914 41,915 10.349,917 4.261,918 7.673,919 19.857,921 15.793,924 2.173,925 60.833,928 1,929 258.964,930 171.288,931 84.908,933 25.145,935 64.439,936 106.848,937 284.109,938 84.908,939 35.301,940 21.445,941 47.381,942 66.177,943 45.211,944 1.386,945 323.403,947 258.964,948 191.756,949 25.145,950 64.439,952 235.422,953 48.687,956 96.278,957 61.907,958 33.571,959 64.439,960 258.964,961 110.053,962 171.288,965 258.964,966 88.606,967 82.682,968 18.011,969 92.042,970 258.964,971 110.053,972 171.288,973 0.579,974 0.327,975 0.172,976 0.091,977 18,978 9,979 0.113,980 6,982 1,983 4.002,984 227.446,986 18,987 124.606,989 2,993 20.727,994 9.467,995 5.75,997 110.053,998 10.119,999 8.83,1003 4.685,1005 18.011,1006 540.305,1007 39,1013 12.676,1016 8.491,1017 1.338,1020 50.942,1021 57.278,1022 0.295,1023 0.635,1024 0.796,1025 0.851,1026 0.851,1027 0.851,1028 4.92,1029 1.472,1030 5.765,1031 4.963,1032 4.419,1033 4.934,1034 4.086,1035 6.518,1036 4.291,1037 6.121,1038 1.209,1039 7.292,1040 4.057,1041 4.007,1042 4.705,1043 2.424,1044 7.273,1045 3.843,1046 7.417,1047 1,1048 8.909,1049 3.053,1050 5.969,1051 7.038,1052 6.504,1053 10.298,1054 5.726,1055 8.739,1056 1,1057 10.574,1058 2.275,1059 6.293,1060 7.511,1061 5.15,1062 11.811,1063 6.021,1064 10.084,1065 0.328,1066 12.27,1067 2.275,1068 7.752,1069 9.375,1070 9.051,1071 14.346,1072 7.41,1073 11.445,1074 0.048,1075 13.987,1076 0.536,1077 8.429,1078 10.193,1079 8.038,1080 16.206,1081 8.056,1082 12.818,1083 -0.287,1084 15.72,1085 0.113,1086 9.667,1087 11.837,1088 11.629,1089 18.543,1090 9.234,1091 2.915,1092 -0.347,1093 17.465,1094 -0.684,1095 10.524,1096 12.853,1097 10.905,1098 20.571,1099 10.055,1100 2.857,1101 9.084,1102 19.22,1103 -0.891,1104 11.659,1105 14.375,1106 14.222,1107 22.823,1108 11.137,1109 2.682,1110 8.838,1111 20.982,1112 3.818,1113 12.609,1114 15.511,1115 13.738,1116 24.932,1117 12.047,1118 2.414,1119 7.789,1120 22.751,1121 3.814,1122 13.696,1123 16.96,1124 16.828,1125 27.147,1126 13.086,1127 2.219,1128 6.831,1129 24.526,1130 3.311,1131 14.695,1132 18.171,1133 16.542,1134 29.298,1135 14.042,1136 1.922,1137 6.066,1138 26.306,1139 3.089,1140 15.76,1141 19.576,1142 19.444,1143 31.498,1144 15.062,1145 1.879,1146 5.484,1147 28.089,1148 2.802,1149 16.784,1150 20.835,1151 19.326,1152 33.668,1153 16.043,1154 10134,1155 16669,1156 19.592,1157 35.631,1158 44.365,1159 49.589,1160 45.832,1161 43.864,1162 43.89,1163 56.464,1164 20.712,1165 122.728,1166 41.064,1167 5.216,1168 6.648,1169 5.674,1170 5.031,1171 4.915,1172 6.818,1173 7.524,1174 15.388,1175 4.812,1176 15.696,1177 1.479,1178 1.653,1179 1.528,1180 1.462,1181 1.463,1182 1.882,1183 0.69,1184 4.091,1185 1.369,1186 3.966,1187 3.999,1188 4.07,1189 3.905,1190 7.428,1191 3.896,1192 3.884,1193 3.926,1194 3.99,1195 3.781,1196 4.962,1197 3.77,1198 3.724,1199 3.768,1200 3.796,1201 3.6,1202 4.933,1203 3.581,1204 3.585,1205 3.637,1206 3.65,1207 3.504,1208 4.672,1209 3.456,1210 3.28,1211 3.35,1212 3.204,1213 3.086,1214 4.118,1215 3.081,1216 3.236,1217 3.33,1218 3.109,1219 3.051,1220 4.099,1221 3.033,1222 3.11,1223 3.184,1224 3.041,1225 2.998,1226 3.994,1227 2.936,1228 2.997,1229 3.073,1230 3.035,1231 2.848,1232 3.861,1233 2.816,1234 0.142,1235 0.155,1236 0.205,1237 0.129,1238 0.097,1239 4.261,1240 0.127,1241 4.648,1242 0.128,1243 6.151,1244 0.303,1245 3.865,1246 0.094,1247 2.915,1248 3.818,1249 3.831,1250 9.084,1251 2.812,1252 1.939,1253 1.913,1254 2.049,1255 2.02,1256 1.182,1257 2.033,1258 1.82,1259 1.781,1260 1.933,1261 1.969,1262 1.17,1263 1.968,1264 1.67,1265 1.628,1266 1.881,1267 1.85,1268 0.991,1269 1.861,1270 1.545,1271 1.502,1272 1.656,1273 1.713,1274 0.891,1275 1.73,1276 1.258,1277 1.171,1278 1.615,1279 1.494,1280 0.678,1281 1.54,1282 1.237,1283 1.168,1284 1.474,1285 1.49,1286 0.579,1287 1.495,1288 1.11,1289 1.043,1290 1.386,1291 1.329,1292 0.544,1293 1.374,1294 0.955,1295 0.888,1296 1.224,1297 1.201,1298 0.255,1299 1.236,1300 4.111,1302 5.416,1304 6.905,1306 8.473,1308 10.08,1310 7.884,1315 1.342,1317 2.891,1319 2.863,1320 -0.285,1326 32.937,1327 85.204,1328 183.833,1329 230.4,1330 246.274,1331 246.274,1332 246.274,1333 52.776,1334 7.12,1335 79.6,1336 130.2,1337 18,1338 12.288,1339 4,1340 3.322,1341 49.963,1342 125,1343 126,1344 0.193,1345 214.32,1346 372.73,1347 514.701,1348 11948,1350 20.096,1351 0.718,1352 0.644,1353 20.803,1354 18.025,1355 13.44,1356 0.448,1357 0.365,1358 9.16,1359 12.16,1360 8.583,1361 7.232,1362 14.302,1363 10.95,1364 12.201,1365 0.298,1366 0.212,1367 13.447,1368 8.678,1369 9.565,1370 0.191,1371 0.124,1372 11.054,1373 6.195,1374 7.906,1375 0.128,1376 0.071,1377 9.485,1378 4.38,1379 5.882,1380 0.079,1381 0.039,1382 7.373,1383 2.908,1384 0.311,1385 91.973,1386 0.226,1387 27.256,1388 0.508,1389 142,1390 412.37,1391 204.059,1392 446.391,1393 609.09,1394 418,1395 162,1396 421.443,1397 215.072,1398 454.884,1399 659.39,1400 425,1401 4.915}
{0 CHEMBL1421123,1 1.987,2 10.826,3 5.575,4 31.076,5 98.334,6 11.304,7 0.44,8 3.655,9 3.729,10 3.661,11 3.416,12 4.857,13 3.335,14 4.124,15 4.218,16 4.087,17 3.806,18 5.342,19 3.69,20 4.298,21 4.437,22 4.095,23 3.771,24 5.516,25 3.633,26 4.2,27 4.383,28 3.772,29 3.574,30 5.357,31 3.448,32 4.099,33 4.27,34 3.719,35 3.526,36 5.317,37 3.396,38 4.024,39 4.163,40 3.953,41 3.534,42 5.298,43 3.394,44 3.878,45 3.994,46 3.923,47 3.401,48 5.31,49 3.293,50 3.732,51 3.876,52 3.575,53 3.169,54 5.121,55 3.085,56 0.097,57 0.475,58 1.512,59 2.494,60 6.958,61 2.681,62 0.212,63 0.79,64 7.073,65 5.027,66 19.948,67 4.927,68 0.377,69 0.908,70 24.361,71 7.792,72 32.614,73 7.007,74 0.365,75 0.806,76 14.888,77 5.994,78 38.383,79 6.182,80 0.357,81 0.772,82 20.013,83 6.419,84 35.671,85 5.533,86 0.317,87 0.695,88 19.445,89 5.746,90 31.753,91 4.342,92 0.336,93 0.574,94 12.82,95 4.432,96 37.142,97 3.364,98 0.297,99 0.506,100 11.432,101 4.162,102 26.937,103 3.331,104 10,105 34,106 0.363,107 0.714,108 0.835,109 0.908,110 0.918,111 0.918,112 3.187,113 1.103,114 -5.54,115 -5.41,116 -5.05,120 44.1,122 1,128 1,143 5,144 1,145 2,152 1,153 1,156 1,159 1,160 1,170 1,174 5,176 1,177 1,180 1,182 1,185 9,188 1,189 6,197 8,201 3,204 1,206 3,209 5,213 1,214 5,219 2,222 2,227 5,232 2,235 3,240 5,245 1,247 2,252 5,257 1,260 2,264 2,269 1,271 3,274 767,275 15.447,276 15.447,277 15.447,278 15.447,279 15.447,280 13.477,281 10.922,282 9.203,283 16.181,284 12.345,285 12.345,286 12.345,287 12.345,288 12.345,289 9.418,290 6.835,291 4.417,292 13.698,293 3.1,294 1.177,295 0.518,296 0.118,297 0.059,298 0.059,299 3.866,303 2,306 1,307 1,308 533,309 2.739,312 143.023,313 81.61,320 1.936,321 22.065,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 49.167,333 249,334 4.255,335 4.74,336 6.177,337 3.905,338 2.975,339 3.874,340 3.889,341 9.221,342 2.772,343 4.155,344 3.535,345 5.939,346 3.691,347 2.793,348 3.55,349 1.836,350 8.275,351 2.501,352 3.962,353 3.317,354 5.356,355 3.448,356 2.543,357 3.476,358 0.839,359 7.004,360 2.287,361 3.543,362 3.045,363 5.251,364 3.144,365 2.232,366 2.83,368 6.606,369 1.94,370 3.316,371 2.619,372 5.019,373 2.913,374 1.972,375 2.444,377 5.77,378 1.799,379 2.937,380 2.491,381 4.137,382 2.323,383 1.414,384 1.999,386 3.564,387 1.285,388 2.82,389 2.131,390 4.036,391 2.306,392 1.388,393 1.949,395 3.478,396 1.201,397 2.538,398 1.804,399 3.599,400 2.186,401 1.264,402 1.473,404 2.974,405 1.124,406 2.368,407 1.206,408 3.179,409 1.821,410 0.888,411 1.223,413 1.966,414 0.814,415 2.118,416 1.036,417 3,418 1.463,419 0.618,420 0.927,422 1.372,423 0.507,424 1.506,425 0.846,426 2.979,427 1.095,428 0.271,429 0.319,431 0.632,432 0.189,433 1.269,434 0.618,435 2.52,436 0.767,437 -0.143,438 -0.172,440 -0.354,441 -0.117,442 1.016,443 0.398,444 2.378,445 0.604,446 -0.239,447 -0.302,449 -0.62,450 -0.196,451 0.76,452 0.365,453 2.255,454 0.301,455 -0.633,456 -0.839,458 -1.601,459 -0.471,460 0.469,462 1.838,463 0.088,464 -0.86,465 -1.062,467 -2.182,468 -0.739,469 12.129,470 0.527,471 0.558,472 0.024,473 28.75,474 1.25,475 14.5,476 0.63,477 14.25,478 0.62,479 19.53,480 0.849,481 23.271,482 0.684,483 17.265,484 0.751,485 5.349,486 0.233,487 5.765,488 0.251,489 0.145,491 0.289,496 0.592,497 0.873,498 0.582,499 0.657,500 0.54,501 0.677,502 0.612,503 1.085,504 0.83,505 0.992,506 0.586,507 0.917,508 0.946,509 1.267,510 1.123,511 1.339,512 0.992,513 1.209,514 1.079,515 1.084,516 0.854,517 0.85,518 1.123,519 1.023,520 1.241,521 0.965,522 1.152,523 1.026,524 1.122,525 0.921,526 1.489,527 1.034,528 0.96,529 0.872,530 1.565,531 0.905,532 1.36,533 1.089,534 0.944,535 0.888,536 1.526,537 0.812,538 0.824,539 1.002,540 0.969,541 1.157,542 0.893,543 0.941,544 5,545 0.05,546 2.222,547 1.576,548 0.863,549 0.605,550 0.36,551 0.356,552 0.163,553 0.115,554 6341,555 24948,556 2.067,557 32.4,559 6,560 1,561 1,562 1,564 2,567 1.652,568 1.944,569 3.411,570 -0.198,575 67.562,576 1.987,577 3.911,578 4.57,579 4.97,580 5.029,581 5.029,582 2.914,583 4.263,584 4.493,585 3.598,586 910.276,587 7.708,588 10844.9,593 172.974,594 1.371,595 4.458,596 0.2,597 0.005,598 0.065,599 0.054,600 0.036,601 0.025,602 0.015,603 0.015,604 0.009,605 0.009,606 0.434,607 0.17,608 0.88,609 0.58,610 110.069,611 -0.006,612 0.126,613 0.005,614 0.085,615 -0.031,616 0.049,617 0.078,618 -0.063,619 -0.04,620 -0.075,621 0.047,622 -0.084,623 0.019,624 -0.285,625 -0.098,626 -0.309,627 -0.032,628 -0.227,629 -0.089,630 -0.113,631 -0.013,632 0.027,633 -0.107,634 -0.031,635 -0.201,636 0.117,637 -0.174,638 0.026,639 -0.046,640 0.078,641 -0.306,642 0.022,643 0.041,644 0.141,645 -0.243,646 0.02,647 -0.034,648 -0.019,649 0.092,650 0.109,651 -0.016,652 0.06,653 0.275,654 0.061,655 -0.008,656 -0.168,657 0.268,658 -0.003,659 1.838,660 4.976,661 0.696,662 22.045,663 1.025,664 1.103,665 4.309,666 18.571,667 0.803,668 3.258,669 3.555,670 3.761,671 3.951,672 4.007,673 4.007,674 4.078,675 4.19,676 4.263,677 4.234,678 6.514,679 0.748,680 384.33,681 3.258,682 4.779,683 5.602,684 6.454,685 7.291,686 8.144,687 8.988,688 9.842,689 10.689,690 11.545,691 8.8,693 1,700 2,709 6,713 1,714 4,716 11,737 2,738 34,739 14,740 1,741 25,743 36,744 15,745 10,746 3,747 3,748 3,752 3,753 3,754 2,755 1,763 1,766 2,768 13,769 2,772 3,778 1,780 1,781 2,782 2,789 11,790 4,791 1,792 8,793 4,797 3,803 1,804 1,822 2,823 1,855 3,856 1,857 2,860 2,862 23,869 1,871 1,873 1,874 1,880 1,885 2,886 2.9,889 1,893 11.833,894 6.102,895 5.056,896 1.858,898 2.612,899 1.386,900 0.983,901 5.617,902 9.373,903 3.541,904 4.09,905 4.571,906 5.033,907 5.28,908 5.395,909 5.556,910 5.901,911 6.232,912 6.4,913 1,914 29,915 8.452,917 3.583,918 7.857,919 15.908,921 12.917,924 2.357,925 54.222,929 117.711,930 147.052,931 51.337,932 78.297,933 25.145,935 63.497,936 83.555,937 221.153,938 51.337,940 2.535,941 72.919,942 50.668,943 43.635,944 13.823,945 157.666,946 78.297,947 117.711,948 134.892,949 25.145,950 141.795,952 94.169,953 48.687,956 53.871,957 71.973,958 87.345,959 63.497,960 117.711,961 76.482,962 225.35,965 117.711,966 82.975,967 64.078,968 17.888,969 136.891,970 117.711,971 76.482,972 225.35,973 0.58,974 0.33,975 0.165,976 0.078,977 16,978 7,979 0.139,980 5,982 1,983 3.684,984 171.797,986 16,987 104.042,989 2,993 16.806,994 7.687,995 4.492,997 76.482,998 11.248,1002 1.585,1003 2.963,1005 17.888,1006 419.542,1007 33.5,1013 11.976,1015 1.699,1016 8.076,1017 0.336,1020 34.851,1021 37.508,1022 0.391,1023 0.769,1024 0.898,1025 0.977,1026 0.988,1027 0.988,1028 4.76,1029 1.264,1030 5.572,1031 3.478,1032 4.234,1033 4.775,1034 3.618,1035 6.315,1036 4.037,1037 5.954,1038 0.888,1039 7.093,1040 2.974,1041 3.761,1042 4.443,1043 2.424,1044 7.034,1045 3.404,1046 7.239,1047 0.618,1048 8.706,1049 1.966,1050 5.771,1051 6.867,1052 6.08,1053 10.081,1054 5.411,1055 8.556,1056 0.271,1057 10.372,1058 1.372,1059 6.111,1060 7.346,1061 5.284,1062 11.6,1063 5.578,1064 9.901,1065 -0.143,1066 12.07,1067 0.632,1068 7.568,1069 9.201,1070 8.722,1071 14.128,1072 7.044,1073 11.264,1074 -0.239,1075 13.791,1076 -0.354,1077 8.281,1078 10.066,1079 8.227,1080 15.996,1081 7.6,1082 12.641,1083 -0.633,1084 15.527,1085 -0.62,1086 9.511,1087 11.668,1088 11.393,1089 18.329,1090 8.823,1091 2.975,1092 -0.86,1093 17.275,1094 -1.601,1095 10.403,1096 12.733,1097 11.138,1098 20.365,1099 9.582,1100 2.793,1101 9.221,1102 19.032,1103 -2.182,1104 11.536,1105 14.209,1106 14.072,1107 22.619,1108 10.689,1109 2.543,1110 8.275,1111 20.796,1112 3.874,1113 12.516,1114 15.385,1115 14.01,1116 24.738,1117 11.558,1118 2.232,1119 7.004,1120 22.566,1121 3.55,1122 13.608,1123 16.795,1124 16.753,1125 26.96,1126 12.609,1127 1.972,1128 6.606,1129 24.342,1130 3.476,1131 14.631,1132 18.033,1133 16.851,1134 29.122,1135 13.538,1136 1.414,1137 5.77,1138 26.122,1139 2.83,1140 15.708,1141 19.409,1142 19.436,1143 31.333,1144 14.562,1145 1.388,1146 3.564,1147 27.905,1148 2.444,1149 16.753,1150 20.684,1151 19.67,1152 33.517,1153 15.525,1154 6114,1155 12269,1156 16.701,1157 27.29,1158 37.553,1159 40.013,1160 37.505,1161 36.879,1162 36.717,1163 48.126,1164 13.127,1165 101.727,1166 32.837,1167 5.154,1168 6.74,1169 5.834,1170 5.034,1171 4.975,1172 6.874,1173 7.604,1174 15.497,1175 4.772,1176 10.54,1177 1.502,1178 1.601,1179 1.5,1180 1.475,1181 1.469,1182 1.925,1183 0.525,1184 4.069,1185 1.313,1186 3.956,1187 3.975,1188 4.221,1189 3.925,1190 7.43,1191 3.897,1192 3.864,1193 3.878,1194 4.132,1195 3.892,1196 5.04,1197 3.818,1198 3.725,1199 3.743,1200 4.022,1201 3.649,1202 4.861,1203 3.61,1204 3.301,1205 3.378,1206 3.407,1207 3.086,1208 4.596,1209 3.098,1210 3.077,1211 3.122,1212 3.359,1213 2.925,1214 4.491,1215 2.928,1216 2.877,1217 2.921,1218 3.192,1219 2.79,1220 4.317,1221 2.763,1222 2.731,1223 2.776,1224 2.888,1225 2.552,1226 4.224,1227 2.555,1228 2.54,1229 2.576,1230 2.74,1231 2.376,1232 3.606,1233 2.332,1234 0.17,1235 0.19,1236 0.247,1237 0.156,1238 0.119,1239 4.255,1240 0.155,1241 4.74,1242 0.156,1243 6.177,1244 0.369,1245 3.905,1246 0.111,1247 2.975,1248 3.874,1249 3.889,1250 9.221,1251 2.772,1252 1.909,1253 1.893,1254 1.987,1255 1.97,1256 1.232,1257 1.989,1258 1.57,1259 1.537,1260 1.695,1261 1.751,1262 0.868,1263 1.728,1264 1.466,1265 1.446,1266 1.584,1267 1.624,1268 0.751,1269 1.621,1270 1.408,1271 1.386,1272 1.463,1273 1.532,1274 0.611,1275 1.562,1276 1.238,1277 1.212,1278 1.215,1279 1.347,1280 0.28,1281 1.39,1282 0.888,1283 0.866,1284 1.097,1285 1.094,1286 0.199,1287 1.103,1288 0.864,1289 0.824,1290 0.977,1291 1.008,1292 0.141,1293 1.048,1294 0.698,1295 0.649,1296 0.825,1297 0.837,1299 0.893,1300 3.932,1302 5.231,1303 3.045,1304 6.693,1305 5.283,1306 8.231,1307 7.248,1308 9.81,1311 11.896,1315 0.545,1317 2.808,1319 1.364,1320 -0.272,1326 25.442,1327 67.562,1328 132.958,1329 155.364,1330 168.974,1331 170.974,1332 170.974,1333 39.409,1334 6.762,1335 53.82,1336 107.36,1337 16,1338 12.1,1339 3.907,1340 3.248,1341 37.085,1342 89,1343 79,1344 0.201,1345 172.363,1346 297.29,1347 412.326,1348 7567,1349 5.9,1350 16.234,1351 0.706,1352 0.645,1353 17.941,1354 14.846,1355 11.114,1356 0.445,1357 0.368,1358 6.827,1359 9.342,1360 6.461,1361 5.301,1362 12.554,1363 9.189,1364 10.026,1365 0.295,1366 0.226,1367 12.046,1368 7.685,1369 8.188,1370 0.195,1371 0.134,1372 10.526,1373 5.646,1374 6.335,1375 0.124,1376 0.075,1377 8.168,1378 3.813,1379 4.416,1380 0.082,1381 0.04,1382 5.682,1383 2.155,1384 0.322,1385 83.599,1386 0.245,1387 23.145,1388 0.53,1389 118,1390 387.486,1391 205.489,1392 478.383,1393 622.03,1394 444,1395 135,1396 370.078,1397 209.468,1398 422.144,1399 613.98,1400 396,1401 4.678}
{0 CHEMBL1421868,1 1.881,2 5.733,3 2.401,4 5.764,5 60.286,6 11.48,7 0.375,8 3.192,9 3.269,10 3.118,11 2.861,12 4.479,13 2.852,14 3.626,15 3.719,16 3.537,17 3.185,18 4.992,19 3.171,20 3.847,21 3.988,22 3.655,23 3.217,24 5.309,25 3.198,26 3.668,27 3.813,28 3.63,29 3.085,30 5.111,31 3.045,32 3.487,33 3.602,34 3.357,35 2.948,36 5.056,37 2.906,38 3.34,39 3.457,40 3.006,41 2.791,42 4.721,43 2.651,44 2.889,45 3.068,46 2.254,47 2.209,48 4.064,49 1.979,50 1.952,51 2.21,52 0.518,53 1.097,54 2.723,55 0.807,56 0.095,57 0.288,58 0.513,59 1.338,60 6.298,61 1.395,62 0.194,63 0.429,64 1.325,65 2.195,66 11.339,67 2.191,68 0.396,69 0.5,70 9.446,71 3.433,72 34.567,73 3.29,74 0.317,75 0.409,76 9.315,77 2.931,78 28.094,79 2.635,80 0.277,81 0.315,82 4.156,83 2.439,84 32.019,85 2.13,86 0.244,87 0.226,88 8.522,89 2.497,90 26.25,91 2.326,92 0.178,93 0.129,94 9.217,95 1.957,96 19.359,97 2.102,98 0.071,99 0.048,100 5.077,101 0.866,102 7.391,103 1.062,104 10,105 22,106 0.391,107 0.625,108 0.732,109 0.807,110 0.834,111 0.834,112 2.796,113 0.928,114 -4.27,115 -4.21,116 -3.97,120 47.6,136 1,139 1,143 5,145 1,159 2,167 1,174 4,176 1,177 4,185 6,188 1,189 9,197 2,201 6,209 1,214 4,222 6,227 1,235 6,247 3,274 216,275 9.914,276 9.914,277 9.914,278 9.914,279 9.914,280 8.576,281 11.461,282 5.899,283 10.255,284 7.879,285 7.879,286 7.879,287 7.879,288 7.879,289 5.911,290 15.639,291 2.802,292 8.509,293 2.511,294 1.387,295 0.875,296 0.512,297 0.381,298 0.381,299 3.439,303 1,304 1,306 1,307 1,308 177,309 1.581,313 89.049,320 0.853,321 17.452,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 32.667,333 86,334 4.392,335 3.8,336 6.609,337 4.051,338 3.104,339 3.811,340 1.185,341 10.434,342 2.925,343 3.868,344 3.079,345 5.622,346 3.392,347 2.451,348 3.359,349 1.058,350 7.276,351 2.289,352 3.501,353 2.771,354 4.971,355 2.933,356 2.076,357 2.686,359 5.734,360 1.695,361 3.152,362 2.333,363 4.543,364 2.687,365 1.739,366 2.318,368 4.449,369 1.611,370 2.701,371 1.699,372 3.573,373 2.15,374 1.183,375 1.688,377 2.775,378 1.106,379 2.5,380 1.067,381 3.247,382 2,383 1,384 1.5,386 2.136,387 1,388 1.799,389 1,390 2.956,391 1.289,392 0.342,393 0.444,395 0.804,396 0.272,397 0.947,398 0.331,399 2.675,400 0.483,401 -0.405,402 -0.494,404 -1.06,405 -0.278,406 0.637,407 0.21,408 2.107,409 0.141,410 -0.653,411 -0.766,413 -1.464,414 -0.44,415 0.5,416 -0.496,417 1.555,419 -1,420 -1.406,422 -2.347,423 -0.894,424 0.459,425 -0.932,426 1.533,427 -0.114,428 -1,429 -1.5,431 -2.394,432 -1,433 -0.114,434 -1,435 1.294,436 -0.533,437 -1.382,438 -1.609,440 -3.808,441 -1.1,442 -0.344,443 -1.173,444 1.118,445 -0.792,446 -1.58,447 -2.113,449 -4.444,450 -1.499,451 -0.5,452 -1.629,453 1,454 -0.953,455 -1.875,456 -2.231,458 -4.789,459 -1.75,460 -0.668,461 -1.841,462 1,463 -1,464 -2,465 -2.688,466 -1.058,467 -6.17,468 -1.937,469 7.562,470 0.504,471 0.404,472 0.027,473 20.5,474 1.367,475 11,476 0.733,477 9.5,478 0.633,479 9.052,480 0.603,481 15.238,482 0.726,483 12.468,484 0.831,485 4.233,486 0.282,487 2.949,488 0.197,489 0.233,491 0.317,496 0.547,497 1.066,498 0.457,499 0.707,500 0.553,501 0.705,502 0.592,503 1.429,504 0.576,505 0.943,506 0.606,507 0.922,508 0.791,509 1.104,510 0.861,511 1.042,512 0.799,513 0.938,514 1.027,515 0.901,516 0.633,517 0.688,518 1.065,519 0.725,520 1.189,521 0.792,522 0.826,523 0.762,524 1.362,525 0.808,526 1.65,527 0.846,528 1.881,529 1.388,530 1.601,531 1.474,532 1.588,533 0.772,534 2.304,535 1.664,536 1.351,537 1.706,538 1.257,539 0.6,540 2.364,541 1.852,542 0.869,543 1.797,544 3,546 1.778,547 1.188,548 0.956,549 0.389,550 0.162,551 0.056,554 1440,555 6276,556 1.993,557 28.6,559 6,567 1.536,568 1.837,569 2.6,570 -0.651,574 1,575 39.51,576 1.881,577 3.006,578 3.518,579 3.88,580 4.011,581 4.011,582 1.933,583 3.457,584 3.883,585 2.646,586 277.835,587 6.531,588 2272.85,590 1,593 92.239,594 1.506,595 3.82,596 0.188,598 0.081,599 0.054,600 0.053,601 0.026,602 0.018,603 0.019,606 0.438,607 0.83,608 1,609 0.725,610 57.308,611 0.027,612 -0.001,613 0.004,614 -0.026,615 -0.071,616 -0.024,617 0.109,618 -0.376,619 0.019,620 -0.203,621 0.009,622 -0.189,623 0.172,624 -0.072,625 0.021,626 -0.125,627 0.142,628 -0.015,629 -0.016,630 0.11,631 0.295,632 0.278,633 -0.003,634 0.237,635 -0.082,636 0.127,637 0.068,638 0.204,639 0.016,640 0.124,641 -0.476,642 -0.079,643 -0.511,644 -0.283,645 -0.396,646 -0.423,647 -0.414,648 -0.089,649 -0.598,650 -0.361,651 -0.344,652 -0.366,653 -0.212,654 0.065,655 -0.558,656 -0.374,657 -0.136,658 -0.107,659 2.049,660 4.631,661 0.8,662 7.227,663 1.039,664 1.111,665 3.04,666 9.244,667 0.784,668 2.833,669 3.135,670 3.367,671 3.584,672 3.761,673 3.584,674 3.497,675 3.367,676 3.135,677 2.708,678 3.698,679 0.762,680 241.08,681 2.833,682 4.344,683 5.176,684 6.043,685 6.897,686 7.768,687 8.629,688 9.501,689 10.366,690 11.238,691 9.5,698 1,700 1,709 5,714 1,716 6,738 21,739 9,740 1,741 16,743 22,744 10,745 6,746 1,747 5,748 4,749 2,752 2,753 2,754 2,768 10,771 2,772 3,778 1,780 1,781 1,782 3,786 1,789 6,790 3,792 5,793 2,797 2,803 1,804 1,823 2,845 2,855 2,860 2,862 15,875 1,885 2,886 4.8,889 1,893 8.167,894 3.852,895 3.333,896 1.143,898 1.921,899 1.336,900 0.97,901 2.866,902 7.631,903 3.135,904 3.676,905 4.171,906 4.646,907 5.134,908 5.098,909 5.367,910 5.618,911 5.699,912 5.663,913 0.75,914 22,915 5.476,916 -0.001,917 2.308,918 8.093,919 9.99,921 7.799,924 2.593,925 38.889,926 0.002,929 70.627,930 70.891,931 19.665,932 78.297,933 25.145,936 70.891,937 174.069,938 19.665,940 3.002,941 56.857,942 36.422,943 19.42,944 39.149,945 70.627,946 39.149,947 70.627,948 90.556,949 25.145,950 78.297,952 70.627,953 25.145,956 19.665,957 57.914,958 52.125,959 39.149,960 70.627,961 44.81,962 149.189,965 70.627,966 14.034,967 59.859,969 120.105,970 70.627,971 44.81,972 149.189,973 0.58,974 0.34,975 0.184,976 0.102,977 11,978 5,979 0.045,980 1,982 1,983 2.664,984 97.319,986 12,987 54.603,993 10.365,994 4.147,995 2.096,997 44.81,998 8.958,1003 0.631,1006 264.625,1007 22,1013 11.631,1015 1.324,1016 3.889,1017 -0.144,1020 21.829,1021 23.34,1022 0.428,1023 0.684,1024 0.801,1025 0.883,1026 0.913,1027 0.913,1028 4.35,1029 -0.405,1030 5.165,1031 0.804,1032 3.807,1033 4.357,1034 1.8,1035 5.964,1036 3.661,1037 5.558,1038 -0.653,1039 6.723,1040 -1.06,1041 3.434,1042 4.034,1044 6.855,1045 3.105,1046 6.857,1047 -1,1048 8.385,1049 -1.464,1050 5.38,1051 6.441,1052 2.008,1053 9.973,1054 5.117,1055 8.188,1056 -1,1057 10.109,1058 -2.347,1059 5.802,1060 6.862,1062 11.692,1063 5.389,1064 9.548,1065 -1.382,1066 11.872,1067 -2.394,1068 7.258,1069 8.767,1070 2.235,1071 14.342,1072 6.882,1073 10.928,1074 -1.58,1075 13.662,1076 -3.808,1077 8.055,1078 9.561,1080 16.411,1081 7.566,1082 12.325,1083 -1.875,1084 15.472,1085 -4.444,1086 9.312,1087 11.221,1088 2.478,1089 18.884,1090 8.824,1091 3.104,1092 -2,1093 17.297,1094 -4.789,1095 10.288,1096 12.225,1098 21.107,1099 9.71,1100 2.451,1101 10.434,1102 19.133,1103 -6.17,1104 11.464,1105 13.75,1106 2.737,1107 23.507,1108 10.862,1109 2.076,1110 7.276,1111 20.98,1112 3.811,1113 12.524,1114 14.879,1116 25.798,1117 11.846,1118 1.739,1119 5.734,1120 22.833,1121 3.359,1122 13.669,1123 16.325,1124 3.009,1125 28.167,1126 12.951,1127 1.183,1128 4.449,1129 24.693,1130 2.686,1131 14.767,1132 17.531,1134 30.488,1135 13.981,1136 1,1137 2.775,1138 26.558,1139 2.318,1140 15.901,1141 18.93,1142 3.293,1143 32.843,1144 15.066,1145 0.342,1146 2.136,1147 28.427,1148 1.688,1149 17.017,1150 20.183,1152 35.177,1153 16.118,1154 1508,1155 3251,1156 10.345,1157 16.466,1158 24.575,1159 25.182,1160 24.54,1161 24.144,1162 23.788,1163 31.612,1164 4.486,1165 67.213,1166 21.795,1167 5.22,1168 5.8,1169 6.411,1170 5.087,1171 5.104,1172 6.811,1173 2.37,1174 17.566,1175 4.925,1176 7.228,1177 1.536,1178 1.574,1179 1.534,1180 1.509,1181 1.487,1182 1.976,1183 0.28,1184 4.201,1185 1.362,1186 3.947,1187 3.98,1188 4.064,1189 3.849,1190 7.428,1191 3.852,1192 3.717,1193 3.739,1194 3.782,1195 3.618,1196 5.024,1197 3.62,1198 2.996,1199 3.017,1200 3.602,1201 2.82,1202 4.735,1203 2.835,1204 2.936,1205 2.956,1206 3.116,1207 2.777,1208 4.648,1209 2.782,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 4.008,1215 2.715,1216 2.555,1217 2.603,1218 2.637,1219 2.319,1220 3.674,1221 2.347,1222 1.772,1223 1.802,1224 2.411,1225 1.474,1226 3.525,1227 1.436,1228 1.631,1229 1.791,1230 2.136,1231 1.397,1232 3.273,1233 1.353,1234 0.274,1235 0.237,1236 0.413,1237 0.253,1238 0.194,1239 4.392,1240 0.238,1241 3.8,1242 0.074,1243 6.609,1244 0.652,1245 4.051,1246 0.183,1247 3.104,1248 3.811,1249 1.185,1250 10.434,1251 2.925,1252 1.9,1253 1.87,1254 2.01,1255 2.016,1256 1.073,1257 2.012,1258 1.647,1259 1.629,1260 1.666,1261 1.785,1262 0.739,1263 1.773,1264 0.916,1265 0.871,1266 1.181,1267 1.106,1268 0.218,1269 1.109,1270 0.886,1271 0.821,1272 1.11,1273 1.062,1274 0.206,1275 1.107,1276 0.765,1277 0.767,1278 0.746,1279 1.002,1281 0.944,1282 0.443,1283 0.391,1284 0.568,1285 0.727,1287 0.731,1290 0.381,1291 0.133,1293 0.23,1296 0.292,1297 0.045,1299 0.14,1300 3.497,1302 4.796,1304 6.308,1306 7.918,1308 9.576,1311 11.428,1321 1.171,1326 15.993,1327 39.51,1328 63.119,1329 73.874,1330 81.484,1331 84.239,1332 84.239,1333 22.003,1334 5.71,1335 34.89,1336 34.89,1337 12,1338 11.781,1339 3.322,1340 2.807,1341 23.402,1342 32,1343 30,1344 0.373,1345 108.593,1346 191.31,1347 256.728,1348 1624,1349 9.5,1350 10.836,1351 0.722,1352 0.602,1353 11.836,1354 9.035,1355 7.182,1356 0.449,1357 0.309,1358 4.201,1359 6.39,1360 4.062,1361 3.356,1362 7.759,1363 4.947,1364 6.475,1365 0.294,1366 0.166,1367 7.254,1368 3.662,1369 5.277,1370 0.188,1371 0.082,1372 5.893,1373 2.294,1374 4.231,1375 0.121,1376 0.046,1377 4.937,1378 1.605,1379 3.349,1380 0.08,1381 0.023,1382 3.826,1383 0.959,1384 0.543,1385 50.963,1386 0.311,1387 14.824,1388 1.153,1389 76,1390 277.433,1391 114.705,1392 328.292,1393 421.35,1394 302,1395 88,1396 262.232,1397 118.754,1398 282.529,1399 413.68,1400 265,1401 4.608}
{0 CHEMBL1421941,1 1.745,2 9.364,3 3.185,4 10.147,5 89.94,6 9.179,7 0.6,8 3.72,9 3.799,10 3.575,11 3.415,12 4.795,13 3.345,14 4.263,15 4.39,16 4.006,17 3.824,18 5.32,19 3.727,20 4.422,21 4.594,22 4.041,23 3.856,24 5.453,25 3.718,26 4.345,27 4.515,28 3.848,29 3.766,30 5.457,31 3.621,32 4.186,33 4.346,34 3.657,35 3.647,36 5.307,37 3.486,38 4.055,39 4.192,40 3.643,41 3.568,42 5.123,43 3.41,44 4.023,45 4.221,46 3.295,47 3.354,48 4.98,49 3.223,50 3.825,51 4.024,52 3.156,53 3.158,54 4.838,55 3.021,56 0.026,57 0.498,58 5.639,59 3.454,60 3.979,61 3.772,62 0.235,63 0.901,64 13.75,65 6.262,66 14.476,67 6.326,68 0.329,69 1.078,70 25.752,71 8.918,72 21.996,73 8.649,74 0.245,75 0.96,76 20.288,77 8.099,78 33.688,79 8.016,80 0.327,81 0.815,82 21.064,83 7.669,84 37.307,85 7.289,86 0.189,87 0.744,88 18.609,89 6.864,90 15.213,91 6.847,92 0.107,93 0.661,94 13.711,95 5.719,96 11.13,97 6.602,98 0.138,99 0.593,100 14.304,101 4.963,102 14.251,103 4.991,104 2,105 35,106 0.313,107 0.614,108 0.731,109 0.809,110 0.828,111 0.828,112 3.147,113 1.053,114 -3.34,115 -3.33,116 -3.19,120 44.4,126 4,143 6,147 1,153 3,159 1,162 1,174 4,176 1,177 2,185 5,188 1,189 8,197 5,201 4,209 2,213 1,222 4,226 2,227 4,235 6,240 1,247 2,252 4,263 1,264 5,274 584,275 15.292,276 15.292,277 15.292,278 15.292,279 15.292,280 13.557,281 8.912,282 9.103,283 15.931,284 12.371,285 12.371,286 12.371,287 12.371,288 12.371,289 9.652,290 9.739,291 4.358,292 13.458,293 3.425,294 1.751,295 1.097,296 0.667,297 0.556,298 0.556,299 3.848,305 1,306 1,307 1,308 462,309 2.449,312 98.789,313 130.869,316 86.507,320 1.545,321 18.075,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47,333 206,334 4.524,335 3.698,336 6.456,337 4.015,338 3.104,339 4.443,340 1.2,341 10.058,342 2.842,343 4.285,344 3.06,345 6.326,346 3.883,347 2.942,348 3.899,349 0.86,350 9.591,351 2.743,352 3.88,353 2.655,354 5.903,355 3.493,356 2.565,357 3.219,358 0.293,359 8.226,360 2.359,361 3.353,362 2.528,363 5.215,364 3.033,365 2.112,366 2.577,368 6.252,369 1.928,370 3.032,371 1.987,372 4.414,373 2.537,374 1.605,375 2.298,377 4.312,378 1.497,379 2.984,380 1.873,381 4.303,382 2.459,383 1.532,384 2.148,386 3.908,387 1.398,388 2.766,389 1.532,390 3.79,391 2.35,392 1.41,393 1.812,395 3.118,396 1.31,397 2.414,398 1.439,399 3.585,400 2.018,401 1.109,402 1.389,404 2.758,405 0.992,406 2.169,407 1.256,408 3.313,409 1.952,410 1,411 1.012,413 2.136,414 0.946,415 2.046,416 1.019,417 3.247,418 1.609,419 0.69,420 1,422 1.735,423 0.612,424 2,425 0.667,426 3.222,427 1.468,428 0.546,429 0.769,431 1.371,432 0.487,433 1.847,434 0.347,435 3,436 1.238,437 0.347,438 0.521,440 0.86,441 0.304,442 0.729,443 -0.175,444 2.44,445 0.227,446 -0.732,447 -0.795,449 -1.607,450 -0.681,451 0.5,452 -0.36,453 2.138,454 0.216,455 -0.753,456 -1,458 -1.87,459 -0.728,460 0.44,461 -0.724,462 2,463 -0.061,464 -1,465 -1.046,467 -2.347,468 -0.846,469 11.133,470 0.506,471 0.448,472 0.02,473 28,474 1.273,475 13.5,476 0.614,477 14.5,478 0.659,479 17.614,480 0.801,481 22.467,482 0.624,483 16.695,484 0.759,485 5.262,486 0.239,487 5.547,488 0.252,489 0.03,491 0.305,496 0.725,497 1.099,498 0.672,499 0.821,500 0.542,501 0.809,502 1.139,503 0.929,504 0.837,505 0.756,506 0.705,507 0.778,508 1.029,509 0.983,510 0.946,511 0.954,512 0.893,513 0.896,514 1.303,515 0.978,516 1.105,517 0.972,518 1.906,519 0.955,520 1.16,521 0.86,522 1.408,523 1.114,524 1.705,525 0.969,526 0.456,527 1.229,528 1.439,529 1.58,530 0.54,531 1.289,532 0.8,533 1.137,534 0.84,535 1.011,536 0.723,537 1.079,538 1.097,539 1.118,540 1.251,541 1.141,542 0.889,543 1.01,544 3.5,545 0.019,546 2.444,547 1.354,548 1.073,549 0.372,550 0.346,551 0.191,552 0.134,553 0.101,554 5517,555 15511,556 2.205,557 38.9,559 14,567 1.642,568 2.129,569 3.246,570 -0.717,571 1,572 1,574 1,575 62.814,576 1.745,577 3.419,578 4.072,579 4.503,580 4.614,581 4.614,582 2.698,583 3.914,584 4.432,585 3.367,586 777.686,587 7.596,588 8484.39,589 1,590 1,591 1,592 1,593 186.117,594 1.143,595 4.418,596 0.14,597 0.002,598 0.07,599 0.042,600 0.038,601 0.015,602 0.016,603 0.011,604 0.009,605 0.007,606 0.35,607 0.5,608 1,609 0.405,610 101.239,611 -0.023,612 -0.121,613 0.068,614 0.02,615 -0.02,616 0.017,617 -0.095,618 0.114,619 0.071,620 0.172,621 -0.04,622 0.09,623 -0.001,624 0.046,625 0.128,626 0.08,627 0.02,628 0.07,629 -0.19,630 0.025,631 -0.039,632 0.064,633 -0.19,634 0.012,635 -0.041,636 0.142,637 -0.188,638 0.04,639 -0.11,640 0.034,641 0.252,642 -0.226,643 -0.191,644 -0.401,645 0.138,646 -0.283,647 0.023,648 -0.237,649 0.002,650 -0.124,651 0.018,652 -0.083,653 -0.131,654 -0.066,655 -0.151,656 -0.101,657 0.015,658 -0.019,659 1.569,660 5.48,661 0.909,662 17.14,663 1.009,664 1.104,665 2.114,666 4.468,667 0.744,668 3.258,669 3.584,670 3.892,671 4.159,672 4.331,673 4.407,674 4.522,675 4.663,676 4.691,677 4.727,678 5.615,679 0.695,680 330.46,681 3.258,682 4.796,683 5.659,684 6.538,685 7.418,686 8.302,687 9.188,688 10.075,689 10.964,690 11.854,691 5.6,698 1,701 1,708 2,709 6,710 1,713 2,714 3,716 15,724 1,738 36,739 16,740 1,741 25,743 39,744 16,745 11,746 2,747 4,748 1,752 4,753 5,768 12,769 4,772 1,778 1,782 1,785 1,786 1,789 14,790 4,792 6,793 2,797 2,803 0.75,804 2,822 2,823 2,826 1,854 1,855 3,857 2,862 22,869 4,872 1,875 1,879 1,880 1,886 5.6,889 1,890 1,893 10.333,894 6.567,895 4.778,896 2.19,898 3.01,899 1.418,900 1.034,901 3.928,902 10.217,903 3.541,904 4.151,905 4.794,906 5.404,907 5.86,908 6.286,909 6.708,910 7.194,911 7.43,912 7.702,913 1,914 32,915 8.162,917 3.539,918 7.644,919 15.83,921 13.375,924 2.144,925 47.167,926 0.001,929 164.795,930 144.05,931 19.91,933 36.145,935 62.555,936 81.495,937 200.94,938 19.91,940 16.52,941 56.857,942 58.565,943 2.144,944 3.463,945 227.351,947 164.795,948 101.404,949 36.145,950 62.555,952 164.795,953 25.145,954 11,956 19.594,957 65.025,958 16.786,959 62.555,960 164.795,961 56.055,962 144.05,965 164.795,966 87.193,967 59.982,969 52.93,970 164.795,971 56.055,972 144.05,973 0.58,974 0.347,975 0.19,976 0.098,977 19,978 7,979 0.051,980 2,981 1,982 1.1,983 3.572,984 177.353,985 0.1,986 20,987 94.107,989 2,993 14.279,994 6.051,995 2.83,996 2.184,997 56.055,998 12.006,999 4.652,1002 3.184,1003 2.807,1006 364.9,1007 33.5,1013 12.48,1017 0.098,1020 36.313,1021 39.747,1022 0.337,1023 0.661,1024 0.788,1025 0.871,1026 0.893,1027 0.893,1028 4.769,1029 1.109,1030 5.631,1031 3.118,1032 4.263,1033 4.836,1034 1.679,1035 6.441,1036 4.1,1037 5.965,1038 1,1039 7.185,1040 2.758,1041 3.761,1042 4.605,1043 0.325,1044 7.306,1045 3.516,1046 7.27,1047 0.69,1048 8.84,1049 2.136,1050 5.849,1051 7.067,1052 1.728,1053 10.425,1054 5.53,1055 8.616,1056 0.546,1057 10.557,1058 1.735,1059 6.236,1060 7.765,1061 0.653,1062 12.133,1063 5.817,1064 9.999,1065 0.347,1066 12.313,1067 1.371,1068 7.739,1069 9.632,1070 1.872,1071 14.728,1072 7.262,1073 11.409,1074 -0.732,1075 14.094,1076 0.86,1077 8.52,1078 10.746,1079 1.001,1080 16.76,1081 7.939,1082 12.837,1083 -0.753,1084 15.893,1085 -1.607,1086 9.789,1087 12.379,1088 2.071,1089 19.17,1090 9.15,1091 3.104,1092 -1,1093 17.704,1094 -1.87,1095 10.749,1096 13.686,1097 1.37,1098 21.34,1099 10.008,1100 2.942,1101 10.058,1102 19.523,1103 -2.347,1104 11.922,1105 15.223,1106 2.309,1107 23.677,1108 11.117,1109 2.565,1110 9.591,1111 21.349,1112 4.443,1113 12.964,1114 16.62,1115 1.754,1116 25.91,1117 12.062,1118 2.112,1119 8.226,1120 23.18,1121 3.899,1122 14.099,1123 18.119,1124 2.576,1125 28.218,1126 13.125,1127 1.605,1128 6.252,1129 25.014,1130 3.219,1131 15.178,1132 19.559,1133 2.143,1134 30.48,1135 14.112,1136 1.532,1137 4.312,1138 26.851,1139 2.577,1140 16.299,1141 21.044,1142 2.865,1143 32.777,1144 15.156,1145 1.41,1146 3.908,1147 28.691,1148 2.298,1149 17.396,1150 22.505,1151 2.535,1152 35.054,1153 16.164,1154 5113,1155 8706,1156 17.394,1157 26.784,1158 38.44,1159 39.012,1160 38.349,1161 37.934,1162 37.922,1163 50.172,1164 4.706,1165 108.651,1166 34.834,1167 5.524,1168 5.698,1169 6.258,1170 5.181,1171 5.104,1172 7.443,1173 2.293,1174 16.942,1175 4.842,1176 5.529,1177 1.538,1178 1.56,1179 1.534,1180 1.517,1181 1.517,1182 2.007,1183 0.188,1184 4.346,1185 1.393,1186 4.078,1187 4.087,1188 4.397,1189 4.097,1190 7.427,1191 4.035,1192 3.879,1193 3.904,1194 4.129,1195 3.864,1196 4.981,1197 3.808,1198 3.713,1199 3.745,1200 3.659,1201 3.532,1202 4.624,1203 3.542,1204 3.286,1205 3.309,1206 3.434,1207 3.25,1208 4.568,1209 3.188,1210 3.111,1211 3.206,1212 3.071,1213 2.941,1214 4.221,1215 2.91,1216 3.074,1217 3.096,1218 2.866,1219 2.829,1220 3.741,1221 2.862,1222 2.884,1223 2.939,1224 2.849,1225 2.785,1226 3.712,1227 2.768,1228 2.598,1229 2.66,1230 2.682,1231 2.409,1232 3.474,1233 2.366,1234 0.181,1235 0.148,1236 0.258,1237 0.161,1238 0.124,1239 4.524,1240 0.178,1241 3.698,1242 0.048,1243 6.456,1244 0.402,1245 4.015,1246 0.114,1247 3.104,1248 4.443,1249 1.2,1250 10.058,1251 2.842,1252 1.898,1253 1.88,1254 1.98,1255 1.97,1256 1.197,1257 1.979,1258 1.73,1259 1.686,1260 1.921,1261 1.963,1262 1.101,1263 1.957,1264 1.556,1265 1.551,1266 1.651,1267 1.632,1268 0.825,1269 1.649,1270 1.434,1271 1.431,1272 1.513,1273 1.496,1274 0.78,1275 1.525,1276 1.153,1277 1.064,1278 1.323,1279 1.376,1280 0.677,1281 1.429,1282 1.011,1283 0.995,1284 1.163,1285 1.199,1286 0.285,1287 1.197,1288 0.917,1289 0.881,1290 1.044,1291 1.01,1292 0.223,1293 1.051,1294 0.767,1295 0.722,1296 1.003,1297 1.001,1298 0.182,1299 1.046,1300 3.932,1302 5.252,1303 3.045,1304 6.765,1305 5.352,1306 8.358,1307 7.424,1308 9.991,1315 2.601,1318 5.295,1321 1.859,1326 25.007,1327 62.814,1328 123.098,1329 146.608,1330 162.117,1331 166.117,1332 166.117,1333 28.581,1334 7.206,1335 42.43,1336 98.91,1337 22,1338 12.383,1339 4.087,1340 3.248,1341 30.024,1342 75,1343 66,1344 0.2,1345 158.025,1346 261.34,1347 377.342,1348 12749,1350 14.941,1351 0.679,1352 0.611,1353 15.648,1354 13.453,1355 10.81,1356 0.432,1357 0.351,1358 7.186,1359 9.562,1360 6.916,1361 5.636,1362 11.626,1363 8.772,1364 9.627,1365 0.275,1366 0.205,1367 10.911,1368 7.17,1369 8.595,1370 0.179,1371 0.123,1372 10.317,1373 5.899,1374 7.167,1375 0.114,1376 0.071,1377 8.929,1378 4.462,1379 5.521,1380 0.074,1381 0.041,1382 7.083,1383 3.061,1384 0.313,1385 75.583,1386 0.24,1387 21.751,1388 0.552,1389 120,1390 356.482,1391 181.363,1392 381.137,1393 524.43,1394 360,1395 143,1396 350.392,1397 204.203,1398 384.884,1399 574.18,1400 364,1401 5.972}
{0 CHEMBL1422161,1 1.818,2 10.148,3 2.837,4 8.047,5 98.915,6 8.553,7 0.345,8 3.955,9 4.048,10 3.665,11 3.448,12 5.166,13 3.442,14 4.504,15 4.653,16 4.084,17 3.846,18 5.806,19 3.824,20 4.681,21 4.838,22 4.14,23 3.983,24 5.938,25 3.927,26 4.819,27 4.991,28 4.213,29 4.048,30 6.03,31 3.975,32 4.817,33 5.034,34 4.065,35 3.967,36 5.914,37 3.869,38 4.706,39 4.873,40 3.997,41 3.876,42 6.182,43 3.793,44 4.539,45 4.704,46 3.819,47 3.713,48 5.791,49 3.678,50 4.57,51 4.749,52 3.829,53 3.59,54 5.848,55 3.605,56 0.231,57 0.682,58 8.162,59 4.38,60 10.54,61 4.878,62 0.673,63 1.079,64 19.135,65 7.225,66 70.274,67 8.528,68 0.809,69 1.276,70 25.66,71 9.078,72 62.302,73 10.548,74 0.754,75 1.367,76 31.335,77 11.171,78 84.26,79 12.813,80 0.871,81 1.308,82 34.853,83 11.132,84 96.955,85 13.215,86 1.131,87 1.179,88 35.215,89 10.176,90 151.694,91 11.039,92 0.706,93 0.991,94 20.335,95 7.411,96 75.25,97 9.168,98 0.821,99 0.934,100 23.298,101 6.6,102 76.995,103 7.546,104 60,105 42,106 0.312,107 0.671,108 0.827,109 0.834,110 0.834,111 0.834,112 3.34,113 0.947,114 -3.44,115 -3.42,116 -3.27,120 37,121 2,122 1,125 1,126 2,128 1,143 2,144 2,153 2,154 2,159 2,167 2,174 3,176 3,177 8,180 1,182 2,185 4,188 3,189 8,192 1,194 2,197 1,201 10,204 2,206 2,209 2,213 1,214 3,217 2,222 6,226 6,227 2,230 2,235 5,239 3,240 5,245 2,247 2,251 1,252 12,260 1,263 2,264 6,274 1172,275 17.662,276 17.662,277 17.662,278 17.662,279 17.662,280 15.958,281 27.784,282 10.038,283 18.193,284 14.19,285 14.19,286 14.19,287 14.19,288 14.19,289 11.351,290 40.168,291 4.627,292 14.912,293 3.706,294 1.609,295 0.701,296 0.658,297 0.658,298 0.658,299 4.012,306 1,307 1,308 571,309 4.183,312 136.355,313 76.9,316 115.955,320 1.435,321 43.16,324 1,325 0.83,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.85,332 61.5,333 274,334 4.617,335 3.788,336 6.921,337 4.23,338 3.277,339 4.324,340 2.612,341 11.655,342 3.127,343 4.354,344 3.744,345 6.172,346 3.925,347 2.934,348 4.057,349 1.674,350 9.103,351 2.907,352 3.944,353 3.551,354 5.997,355 3.666,356 2.729,357 3.379,358 1.058,359 8.472,360 2.553,361 3.806,362 3.252,363 5.773,364 3.481,365 2.499,366 2.99,367 0.916,368 7.66,369 2.443,370 3.516,371 2.853,372 5.609,373 3.202,374 2.25,375 2.634,376 0.172,377 7.041,378 2.125,379 3.311,380 2.344,381 5.117,382 2.872,383 1.954,384 2.508,386 5.908,387 1.773,388 3.041,389 2.199,390 4.499,391 2.461,392 1.513,393 2.175,395 4.177,396 1.43,397 2.768,398 1.929,399 4.185,400 2.428,401 1.446,402 1.802,404 3.616,405 1.383,406 2.419,407 1.461,408 3.79,409 2.177,410 1.215,411 1.297,413 2.9,414 1.163,415 2.262,416 1.427,417 3.565,418 1.826,419 0.826,420 1.214,422 2.137,423 0.82,424 2.156,425 1.379,426 3.406,427 1.65,428 0.655,429 0.973,431 1.597,432 0.65,433 1.754,434 1,435 3.253,436 1.527,437 0.618,438 0.685,440 1.495,441 0.551,442 1.461,443 0.897,444 2.784,445 1.08,446 0.152,447 0.183,449 0.227,450 0.137,451 1.106,452 0.705,453 2.419,454 0.706,455 -0.256,456 -0.319,458 -0.674,459 -0.24,460 1,461 0.438,462 2.355,463 0.31,464 -0.666,465 -0.733,467 -1.828,468 -0.647,469 12.533,470 0.464,471 0.86,472 0.032,473 32.5,474 1.204,475 14.5,476 0.537,477 18,478 0.667,479 25.124,480 0.931,481 30.667,482 0.667,483 25.61,484 0.949,485 6.352,486 0.235,487 6.46,488 0.239,489 0.226,491 0.423,496 0.611,497 1.319,498 0.68,499 1.051,500 0.513,501 0.972,502 0.673,503 1,504 0.697,505 0.829,506 0.416,507 0.769,508 0.667,509 1.127,510 1.052,511 1.125,512 0.546,513 1.022,514 0.782,515 1.24,516 1.001,517 1.301,518 0.894,519 1.152,520 0.816,521 0.891,522 1,523 1.023,524 0.813,525 0.918,526 0.808,527 0.987,528 1.609,529 1.375,530 0.677,531 1.076,532 0.794,533 1.225,534 0.845,535 1.128,536 0.934,537 1.149,538 1.4,539 0.973,540 0.902,541 0.914,542 1.19,543 0.925,544 6.5,545 0.116,546 3.778,547 2.479,548 1.923,549 1.199,550 0.827,551 0.444,552 0.367,553 0.294,554 7841,555 27740,556 1.971,557 41.3,559 10,562 1,564 8,567 1.705,568 1.78,569 3.315,570 -0.199,571 1,572 1,575 83.622,576 1.818,577 3.915,578 4.822,579 4.866,580 4.866,581 4.866,582 2.7,583 4.533,584 4.723,585 3.479,586 1221,587 8.225,588 15478.8,590 1,592 1,593 254.084,594 1.561,595 4.646,596 0.224,597 0.007,598 0.09,599 0.058,600 0.046,601 0.032,602 0.023,603 0.014,604 0.012,605 0.012,606 0.518,607 0.33,608 1,609 1.209,610 132.711,611 0.058,612 -0.095,613 0.066,614 -0.008,615 -0.006,616 -0.015,617 0.139,618 0.108,619 0.209,620 0.195,621 0.197,622 0.206,623 0.117,624 -0.01,625 -0.022,626 -0.019,627 0.121,628 -0.025,629 0.021,630 -0.212,631 0.061,632 -0.18,633 -0.028,634 -0.115,635 0.001,636 0.082,637 0.131,638 0.068,639 -0.036,640 0.137,641 0.187,642 0.081,643 -0.239,644 -0.097,645 0.277,646 -0.053,647 0.095,648 -0.251,649 -0.025,650 -0.2,651 -0.034,652 -0.165,653 -0.238,654 -0.029,655 -0.009,656 -0.058,657 -0.16,658 -0.013,659 2.721,660 5.415,661 0.519,662 24.23,663 1.031,664 1.13,665 2.215,666 4.905,667 0.663,668 3.401,669 3.761,670 4.043,671 4.304,672 4.5,673 4.663,674 4.779,675 4.875,676 4.86,677 4.898,678 6.131,679 0.647,680 393.46,681 3.401,682 4.963,683 5.826,684 6.723,685 7.611,686 8.514,687 9.413,688 10.319,689 11.223,690 12.132,691 6.5,694 1,698 1,702 1,709 2,712 1,713 1,714 6,716 10,723 1,726 1,731 1,738 46,739 14,741 29,743 48,744 17,745 8,748 2,752 3,753 4,759 2,763 1,766 2,768 10,769 7,772 4,775 1,778 4,782 2,786 1,788 1,789 19,790 8,791 1,792 10,793 1,797 3,803 0.667,804 6,822 2,823 1,826 1,851 1,855 2,857 1,859 3,862 27,869 3,871 1,872 1,874 1,875 1,880 1,886 13,889 2,891 2,892 2,893 15.167,894 9.317,895 5.944,896 2.724,898 2.031,899 1.279,900 0.938,901 5.863,902 9.315,903 3.664,904 4.256,905 4.79,906 5.326,907 5.648,908 6.023,909 6.159,910 6.395,911 6.638,912 6.95,913 0.857,914 43,915 10.039,917 4.367,918 8.185,919 18.414,921 14.931,924 2.685,925 72.5,928 1,929 211.88,930 116.534,931 26.805,933 121.544,935 31.278,936 85.256,937 333.424,938 26.805,939 34.204,940 24.757,941 18.952,942 62.186,943 35.952,944 6.807,945 243.158,946 50.747,947 211.88,948 112.061,949 121.544,950 31.278,952 117.711,953 164.966,954 50.747,956 51.481,957 54.91,958 5.67,959 31.278,960 211.88,961 148.349,962 116.534,965 211.88,966 69.048,967 56.28,968 18.011,969 121.544,970 211.88,971 148.349,972 116.534,973 0.593,974 0.352,975 0.179,976 0.099,977 20,978 11,979 0.125,980 6,981 1,982 1.143,983 3.693,984 231.759,985 0.143,986 14,987 122.382,989 1,993 19.829,994 7.984,995 4.013,997 142.679,998 2.329,1001 4.925,1002 1.313,1003 1.858,1005 18.011,1006 476.762,1007 38,1010 -0.721,1013 46.14,1017 -1.182,1020 47.414,1021 51.993,1022 0.329,1023 0.709,1024 0.873,1025 0.881,1026 0.881,1027 0.881,1028 4.931,1029 1.446,1030 5.849,1031 4.177,1032 4.443,1033 4.942,1034 3.07,1035 6.706,1036 4.353,1037 6.156,1038 1.215,1039 7.448,1040 3.616,1041 4.205,1042 4.956,1043 2.396,1044 7.711,1045 4.091,1046 7.487,1047 0.826,1048 9.144,1049 2.9,1050 6.089,1051 7.134,1052 4.418,1053 10.807,1054 5.92,1055 8.852,1056 0.655,1057 10.894,1058 2.137,1059 6.635,1060 7.967,1061 4.512,1062 12.628,1063 6.443,1064 10.248,1065 0.618,1066 12.677,1067 1.597,1068 8.036,1069 9.66,1070 6.065,1071 15.264,1072 7.798,1073 11.666,1074 0.152,1075 14.484,1076 1.495,1077 8.916,1078 10.839,1079 6.557,1080 17.437,1081 8.648,1082 13.101,1083 -0.256,1084 16.308,1085 0.227,1086 10.148,1087 12.365,1088 7.845,1089 19.929,1090 9.839,1091 3.277,1092 -0.666,1093 18.146,1094 -0.674,1095 11.177,1096 13.694,1097 8.548,1098 22.259,1099 10.832,1100 2.934,1101 11.655,1102 19.996,1103 -1.828,1104 12.351,1105 15.162,1106 9.692,1107 24.71,1108 11.965,1109 2.729,1110 9.103,1111 21.855,1112 4.324,1113 13.449,1114 16.555,1115 10.509,1116 27.108,1117 13.023,1118 2.499,1119 8.472,1120 23.723,1121 4.057,1122 14.607,1123 18.005,1124 11.572,1125 29.553,1126 14.138,1127 2.25,1128 7.66,1129 25.598,1130 3.379,1131 15.738,1132 19.427,1133 12.452,1134 31.981,1135 15.227,1136 1.954,1137 7.041,1138 27.479,1139 2.99,1140 16.896,1141 20.872,1142 13.471,1143 34.427,1144 16.34,1145 1.513,1146 5.908,1147 29.367,1148 2.634,1149 18.045,1150 22.307,1151 14.386,1152 36.869,1153 17.444,1154 7872,1155 15091,1156 18.323,1157 30.483,1158 44.749,1159 47.268,1160 47.054,1161 44.128,1162 44.138,1163 56.442,1164 12.868,1165 131.979,1166 42.122,1167 5.564,1168 5.69,1169 6.464,1170 5.375,1171 5.277,1172 7.024,1173 4.612,1174 18.831,1175 5.066,1176 17.801,1177 1.543,1178 1.63,1179 1.623,1180 1.522,1181 1.522,1182 1.946,1183 0.444,1184 4.551,1185 1.452,1186 4.05,1187 4.063,1188 4.287,1189 4.016,1190 7.816,1191 3.968,1192 3.966,1193 3.977,1194 3.972,1195 3.763,1196 7.434,1197 3.801,1198 3.672,1199 3.726,1200 3.594,1201 3.511,1202 7.428,1203 3.503,1204 3.5,1205 3.52,1206 3.481,1207 3.193,1208 6.999,1209 3.209,1210 3.402,1211 3.441,1212 3.384,1213 3.091,1214 4.975,1215 3.15,1216 3.263,1217 3.314,1218 3.185,1219 3.026,1220 4.642,1221 3.029,1222 3.068,1223 3.12,1224 3.048,1225 2.829,1226 4.455,1227 2.836,1228 3.007,1229 3.078,1230 2.816,1231 2.716,1232 4.25,1233 2.768,1234 0.159,1235 0.131,1236 0.239,1237 0.146,1238 0.113,1239 4.617,1240 0.149,1241 3.788,1242 0.09,1243 6.921,1244 0.402,1245 4.23,1246 0.108,1247 3.277,1248 4.324,1249 2.612,1250 11.655,1251 3.127,1252 1.838,1253 1.795,1254 2.008,1255 1.999,1256 1.325,1257 2.009,1258 1.626,1259 1.607,1260 1.817,1261 1.958,1262 1.042,1263 1.827,1264 1.562,1265 1.53,1266 1.688,1267 1.811,1268 0.795,1269 1.791,1270 1.515,1271 1.485,1272 1.617,1273 1.715,1274 0.721,1275 1.722,1276 1.385,1277 1.381,1278 1.537,1279 1.625,1280 0.642,1281 1.617,1282 1.199,1283 1.149,1284 1.417,1285 1.417,1286 0.557,1287 1.445,1288 1.063,1289 0.988,1290 1.397,1291 1.268,1292 0.469,1293 1.312,1294 0.934,1295 0.855,1296 1.344,1297 1.244,1298 0.378,1299 1.308,1300 4.078,1302 5.425,1303 3.045,1304 6.95,1305 5.416,1306 8.557,1307 7.545,1308 10.212,1310 5.496,1315 2.17,1317 2.639,1318 4.889,1320 0.364,1321 2.279,1326 29.755,1327 83.622,1328 180.084,1329 221.819,1330 223.819,1331 223.819,1332 223.819,1333 68.291,1334 7.284,1335 117.6,1336 145.84,1337 16,1338 12.649,1339 3.907,1340 3.322,1341 46.792,1342 96,1343 101,1344 0.237,1345 186.66,1346 329.55,1347 447.209,1348 12845,1350 19.715,1351 0.73,1352 0.59,1353 20.068,1354 15.922,1355 12.812,1356 0.442,1357 0.316,1358 8.223,1359 11.558,1360 7.905,1361 6.559,1362 13.22,1363 9.156,1364 11.99,1365 0.285,1366 0.178,1367 12.632,1368 7.468,1369 9.906,1370 0.177,1371 0.099,1372 10.663,1373 5.561,1374 7.86,1375 0.108,1376 0.058,1377 8.896,1378 4.239,1379 6.089,1380 0.068,1381 0.034,1382 7.114,1383 3.057,1384 0.365,1385 86.922,1386 0.234,1387 25.611,1388 0.67,1389 142,1390 550.897,1391 190.56,1392 528.89,1393 695.72,1394 488,1395 169,1396 485.917,1397 214.992,1398 494.024,1399 724.15,1400 460,1401 4.586}
{0 CHEMBL1422335,1 1.612,2 9.958,3 3.068,4 9.411,5 87.48,6 8.898,7 0.63,8 3.744,9 3.811,10 3.467,11 3.31,12 5.009,13 3.341,14 4.212,15 4.303,16 3.83,17 3.656,18 5.504,19 3.685,20 4.344,21 4.461,22 3.88,23 3.709,24 5.597,25 3.733,26 4.411,27 4.54,28 3.853,29 3.607,30 5.769,31 3.654,32 4.307,33 4.452,34 3.699,35 3.499,36 5.662,37 3.534,38 4.076,39 4.231,40 3.422,41 3.359,42 5.322,43 3.354,44 3.997,45 4.152,46 3.352,47 3.235,48 5.304,49 3.24,50 3.855,51 3.982,52 3.251,53 3.145,54 5.157,55 3.158,56 0.117,57 0.479,58 4.658,59 3.131,60 6.493,61 3.033,62 0.4,63 0.738,64 9.587,65 5.014,66 26.08,67 4.95,68 0.35,69 0.844,70 11.681,71 5.981,72 19.821,73 6.276,74 0.699,75 0.9,76 14.622,77 5.77,78 49.451,79 5.383,80 0.603,81 0.83,82 13.667,83 5.124,84 44.722,85 4.806,86 0.296,87 0.673,88 10.061,89 4.348,90 27.158,91 4.45,92 0.422,93 0.597,94 10.255,95 4.038,96 36.866,97 4.15,98 0.295,99 0.509,100 7.877,101 3.469,102 23.69,103 3.235,104 6,105 38,106 0.286,107 0.596,108 0.704,109 0.812,110 0.855,111 0.855,112 3.229,113 0.807,114 -5.15,115 -5.04,116 -4.72,120 50,125 1,136 1,137 1,143 8,144 2,145 2,159 1,162 2,167 1,174 11,176 3,177 8,185 10,188 1,189 14,197 6,200 4,201 13,209 3,213 3,214 10,222 4,227 7,235 5,239 2,240 7,247 6,251 1,252 5,260 6,264 3,271 6,274 774,275 16.662,276 16.662,277 16.662,278 16.662,279 16.662,280 14.392,281 8.34,282 9.8,283 16.99,284 13.285,285 13.285,286 13.285,287 13.285,288 13.285,289 9.774,290 8.876,291 4.568,292 13.705,293 3.558,294 1.813,295 1.209,296 0.597,297 0.354,298 0.354,299 3.929,305 1,306 1,307 1,308 527,309 2.236,312 56.315,313 189.99,317 99.841,320 1.545,321 25.938,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53,333 239,334 4.53,335 3.741,336 6.638,337 4.145,338 3.174,339 4.172,340 1.674,341 10.672,342 3.082,343 4.306,344 3.152,345 6.362,346 3.906,347 2.934,348 3.968,349 0.86,350 9.706,351 2.849,352 4.047,353 2.921,354 6.103,355 3.665,356 2.68,357 3.536,359 8.869,360 2.634,361 3.556,362 2.491,363 5.182,364 3.078,365 2.105,366 2.982,368 6.146,369 2.042,370 3.351,371 2.3,372 5.073,373 2.976,374 2.005,375 2.589,377 5.831,378 1.928,379 3.113,380 1.852,381 4.454,382 2.667,383 1.699,384 2.316,386 4.387,387 1.638,388 2.868,389 1.679,390 4.164,391 2.396,392 1.417,393 2.019,395 3.536,396 1.382,397 2.703,398 1.36,399 3.671,400 2.176,401 1.199,402 1.712,404 2.783,405 1.163,406 2.5,407 1.176,408 3.459,409 2,410 1,411 1.5,413 2.33,414 1,415 2.371,416 1,417 3.264,418 1.846,419 0.907,420 1.248,422 2.136,423 0.845,424 2.159,425 0.813,426 3.247,427 1.657,428 0.671,429 0.989,431 1.637,432 0.66,433 1.761,434 0.772,435 2.965,436 1.381,437 0.47,438 0.58,440 0.843,441 0.421,442 1.27,443 0.653,444 2.707,445 0.86,446 -0.119,447 -0.156,449 -0.254,450 -0.113,451 0.835,452 -0.13,453 2.511,454 0.523,455 -0.433,456 -0.522,458 -1.062,459 -0.414,460 0.74,461 -0.311,462 2.301,463 0.309,464 -0.682,465 -0.93,467 -1.557,468 -0.675,469 11.133,470 0.464,471 0.5,472 0.021,473 35.75,474 1.49,475 20,476 0.833,477 15.75,478 0.656,479 14.391,480 0.6,481 24.267,482 0.674,483 25.616,484 1.067,485 7.455,486 0.311,487 4.303,488 0.179,489 0.075,491 0.359,496 0.761,497 1.02,498 0.6,499 1.012,500 0.617,501 0.826,502 0.866,503 0.955,504 0.721,505 0.906,506 0.642,507 0.813,508 0.873,509 1.223,510 0.745,511 1.155,512 0.742,513 0.977,514 1.291,515 1.066,516 1.015,517 0.941,518 1.131,519 0.906,520 1.343,521 0.979,522 1.08,523 0.857,524 1.189,525 0.874,526 1.107,527 1.148,528 1.085,529 1.064,530 1.452,531 1.055,532 1.11,533 0.884,534 1.019,535 0.851,536 1.754,537 0.889,538 1.318,539 0.984,540 1.13,541 1.002,542 1.495,543 1.01,544 4,545 0.054,546 2.889,547 1.375,548 1.504,549 0.945,550 0.406,551 0.221,552 0.171,553 0.126,554 6526,555 19563,556 2.161,557 33.3,559 12,567 1.668,568 2.057,569 3.295,570 -0.74,571 1,572 1,574 1,575 58.039,576 1.612,577 3.356,578 3.961,579 4.572,580 4.816,581 4.816,582 2.736,583 4.335,584 4.555,585 3.41,586 941.079,587 7.859,588 10775.3,589 1,590 1,591 1,592 1,593 186.117,594 1.281,595 4.532,596 0.148,597 0.005,598 0.076,599 0.035,600 0.042,601 0.03,602 0.017,603 0.01,604 0.009,605 0.008,606 0.38,607 0.33,608 1,609 0.681,610 113.234,611 -0.011,612 -0.024,613 0.065,614 -0.089,615 -0.063,616 -0.018,617 0.111,618 0.023,619 0.081,620 0.036,621 0.071,622 0.04,623 0.055,624 -0.272,625 0.126,626 -0.196,627 0.061,628 -0.06,629 0.021,630 -0.052,631 -0.025,632 -0.011,633 0.045,634 -0.029,635 -0.089,636 0.064,637 -0.074,638 0.068,639 0.051,640 0.02,641 -0.186,642 -0.13,643 -0.141,644 -0.12,645 -0.179,646 -0.112,647 0.003,648 0.112,649 -0.006,650 0.11,651 -0.165,652 0.067,653 -0.187,654 -0.004,655 -0.194,656 -0.052,657 -0.167,658 -0.108,659 2.227,660 5.298,661 0.875,662 19.958,663 1.026,664 1.109,665 3.918,666 15.349,667 0.712,668 3.332,669 3.664,670 3.989,671 4.277,672 4.511,673 4.605,674 4.754,675 4.852,676 4.977,677 5.017,678 5.752,679 0.709,680 320.32,681 3.332,682 4.875,683 5.746,684 6.635,685 7.522,686 8.417,687 9.311,688 10.208,689 11.105,690 12.004,691 5.6,701 2,709 8,710 2,712 1,714 6,716 17,735 1,738 36,739 19,740 2,741 27,743 39,744 18,745 14,746 4,747 8,748 3,752 4,753 5,768 17,769 1,772 2,778 1,780 1,782 2,785 1,786 1,789 12,790 6,792 6,797 2,803 0.75,804 4,822 1,823 3,827 1,841 1,845 1,846 1,855 3,859 1,862 24,872 2,886 11.1,889 1,891 3,893 11.667,894 7.067,895 5.306,896 2.036,898 3.656,899 1.489,900 1.009,901 3.634,902 11.13,903 3.651,904 4.266,905 4.901,906 5.493,907 6.011,908 6.335,909 6.761,910 7.154,911 7.571,912 7.871,913 0.857,914 39,915 8.825,917 3.817,918 7.868,919 16.404,921 13.255,924 2.368,925 56.833,929 141.253,930 133.444,931 33.326,933 56.652,936 133.444,937 197.905,938 33.326,939 10.883,941 85.286,942 75.702,943 51.551,945 141.253,947 141.253,948 166.77,949 56.652,952 141.253,953 56.652,956 10.04,957 113.928,958 42.802,960 141.253,961 89.978,962 133.444,965 141.253,966 37.275,967 96.169,969 89.978,970 141.253,971 89.978,972 133.444,973 0.578,974 0.354,975 0.2,976 0.108,977 20,978 8,979 0.077,980 3,981 1,982 1.095,983 3.644,984 203.309,985 0.095,986 21,987 106.039,993 14.669,994 5.947,995 2.628,997 89.978,998 14.7,999 7.961,1001 5.629,1003 2.831,1006 364.675,1007 37.5,1013 12.298,1015 1.659,1017 -0.347,1020 36.931,1021 39.91,1022 0.312,1023 0.649,1024 0.766,1025 0.884,1026 0.931,1027 0.931,1028 4.877,1029 1.199,1030 5.727,1031 3.536,1032 4.344,1033 4.952,1034 2.09,1035 6.561,1036 4.286,1037 6.092,1038 1,1039 7.296,1040 2.783,1041 3.892,1042 4.663,1044 7.496,1045 3.81,1046 7.404,1047 0.907,1048 8.968,1049 2.33,1050 5.953,1051 7.154,1052 2.88,1053 10.619,1054 5.843,1055 8.754,1056 0.671,1057 10.701,1058 2.136,1059 6.365,1060 7.723,1062 12.383,1063 6.223,1064 10.137,1065 0.47,1066 12.473,1067 1.637,1068 7.86,1069 9.627,1070 3.826,1071 15.001,1072 7.697,1073 11.544,1074 -0.119,1075 14.27,1076 0.843,1077 8.66,1078 10.601,1080 17.091,1081 8.462,1082 12.968,1083 -0.433,1084 16.085,1085 -0.254,1086 9.931,1087 12.248,1088 4.83,1089 19.533,1090 9.712,1091 3.174,1092 -0.682,1093 17.912,1094 -1.062,1095 10.91,1096 13.428,1098 21.761,1099 10.655,1100 2.934,1101 10.672,1102 19.749,1103 -1.557,1104 12.091,1105 14.953,1106 5.852,1107 24.137,1108 11.813,1109 2.68,1110 9.706,1111 21.592,1112 4.172,1113 13.152,1114 16.24,1116 26.426,1117 12.839,1118 2.105,1119 8.869,1120 23.441,1121 3.968,1122 14.299,1123 17.705,1124 6.88,1125 28.779,1126 13.961,1127 2.005,1128 6.146,1129 25.295,1130 3.536,1131 15.397,1132 19.049,1134 31.097,1135 15.026,1136 1.699,1137 5.831,1138 27.152,1139 2.982,1140 16.533,1141 20.486,1142 7.91,1143 33.444,1144 16.134,1145 1.417,1146 4.387,1147 29.012,1148 2.589,1149 17.65,1150 21.86,1152 35.777,1153 17.219,1154 6146,1155 10814,1156 18.493,1157 25.636,1158 41.198,1159 42.195,1160 41.609,1161 40.497,1162 40.519,1163 55.221,1164 5.069,1165 117.751,1166 39.289,1167 5.424,1168 5.741,1169 6.44,1170 5.238,1171 5.174,1172 7.172,1173 3.349,1174 17.561,1175 5.082,1176 8.631,1177 1.526,1178 1.563,1179 1.541,1180 1.5,1181 1.501,1182 2.045,1183 0.188,1184 4.361,1185 1.455,1186 4.037,1187 4.048,1188 4.012,1189 3.927,1190 7.433,1191 3.941,1192 3.917,1193 3.936,1194 3.873,1195 3.841,1196 5.263,1197 3.842,1198 3.692,1199 3.718,1200 3.648,1201 3.514,1202 4.906,1203 3.547,1204 3.386,1205 3.401,1206 3.344,1207 3.158,1208 4.702,1209 3.201,1210 3.241,1211 3.297,1212 3.081,1213 2.971,1214 4.451,1215 2.986,1216 2.899,1217 2.925,1218 2.79,1219 2.735,1220 4.19,1221 2.715,1222 2.854,1223 2.922,1224 2.687,1225 2.678,1226 3.952,1227 2.696,1228 2.782,1229 2.836,1230 2.681,1231 2.668,1232 3.871,1233 2.666,1234 0.168,1235 0.139,1236 0.246,1237 0.154,1238 0.118,1239 4.53,1240 0.155,1241 3.741,1242 0.062,1243 6.638,1244 0.395,1245 4.145,1246 0.114,1247 3.174,1248 4.172,1249 1.674,1250 10.672,1251 3.082,1252 1.937,1253 1.928,1254 2.016,1255 2.042,1256 1.128,1257 2.027,1258 1.895,1259 1.87,1260 2.006,1261 1.98,1262 1.077,1263 1.991,1264 1.518,1265 1.507,1266 1.621,1267 1.693,1268 0.68,1269 1.662,1270 1.193,1271 1.128,1272 1.547,1273 1.498,1274 0.566,1275 1.516,1276 1.142,1277 1.112,1278 1.245,1279 1.402,1280 0.292,1281 1.343,1282 0.896,1283 0.869,1284 1.181,1285 1.254,1286 0.218,1287 1.154,1288 0.886,1289 0.821,1290 1.031,1291 1.062,1292 0.095,1293 1.107,1294 0.815,1295 0.775,1296 0.962,1297 1.037,1298 0.018,1299 1.035,1300 4.007,1302 5.333,1303 2.398,1304 6.868,1305 4.595,1306 8.498,1307 6.605,1308 10.176,1310 1.521,1318 10.582,1326 25.536,1327 58.039,1328 120.833,1329 142.608,1330 164.608,1331 173.362,1332 173.362,1333 33.775,1334 7.475,1335 78.36,1336 78.36,1337 23,1338 12.527,1339 4.322,1340 3.524,1341 33.896,1342 82,1343 82,1344 0.204,1345 154.159,1346 268.58,1347 367.907,1348 17453,1350 16.518,1351 0.688,1352 0.53,1353 16.518,1354 12.724,1355 11.758,1356 0.435,1357 0.269,1358 7.123,1359 11.187,1360 6.982,1361 5.8,1362 11.758,1363 7.262,1364 10.367,1365 0.273,1366 0.134,1367 10.367,1368 5.105,1369 9.271,1370 0.175,1371 0.068,1372 9.271,1373 3.62,1374 7.958,1375 0.112,1376 0.035,1377 7.958,1378 2.457,1379 6.452,1380 0.072,1381 0.018,1382 6.452,1383 1.623,1384 0.317,1385 74.784,1386 0.233,1387 23.265,1388 0.572,1389 130,1390 458.232,1391 147.281,1392 430.533,1393 594.03,1394 404,1395 156,1396 450.189,1397 174.586,1398 449.163,1399 662.42,1400 421,1401 4.153}
{0 CHEMBL1422588,1 1.861,2 10.929,3 2.062,4 4.252,5 113.559,6 9.535,7 0.2,8 3.941,9 4.011,10 3.874,11 3.594,12 5.081,13 3.525,14 4.491,15 4.604,16 4.261,17 3.981,18 5.836,19 3.903,20 4.72,21 4.872,22 4.213,23 4.041,24 6.002,25 3.968,26 4.722,27 4.877,28 4.206,29 4.046,30 6.061,31 3.941,32 4.693,33 4.829,34 4.269,35 4.022,36 6.104,37 3.91,38 4.625,39 4.793,40 4.131,41 3.971,42 6.014,43 3.841,44 4.605,45 4.767,46 4.121,47 3.984,48 5.874,49 3.827,50 4.515,51 4.642,52 4.132,53 3.892,54 5.867,55 3.717,56 0.139,57 0.661,58 8.128,59 4.914,60 20.639,61 4.701,62 0.495,63 1.131,64 22.064,65 8.858,66 64.214,67 8.382,68 0.658,69 1.342,70 25.86,71 10.424,72 86.889,73 10.143,74 0.751,75 1.326,76 27.621,77 11.05,78 105.241,79 10.338,80 0.709,81 1.334,82 34.148,83 12.022,84 122.323,85 10.792,86 0.728,87 1.239,88 28.118,89 10.758,90 113.524,91 11.08,92 0.583,93 1.248,94 34.416,95 12.033,96 72.035,97 11.094,98 0.622,99 1.113,100 34.655,101 11.548,102 105.977,103 8.556,104 51,105 44,106 0.318,107 0.695,108 0.848,109 0.885,110 0.893,111 0.893,112 3.375,113 1.127,114 -2.5,115 -2.52,116 -2.47,120 39.1,121 1,125 1,126 1,128 2,136 2,138 1,139 1,143 4,144 1,145 1,159 2,160 1,174 5,176 2,177 4,180 1,182 1,185 6,188 1,189 9,192 1,194 1,197 5,201 5,204 2,209 3,213 1,214 5,217 1,219 1,222 4,226 4,227 5,232 1,235 2,239 2,240 6,245 1,247 2,252 2,257 1,260 3,263 3,264 4,267 1,269 2,271 2,274 1270,275 18.162,276 18.162,277 18.162,278 18.162,279 18.162,280 16.43,281 18.771,282 10.311,283 18.991,284 14.68,285 14.68,286 14.68,287 14.68,288 14.68,289 11.686,290 18.416,291 4.774,292 15.946,293 3.663,294 1.454,295 0.555,296 0.337,297 0.294,298 0.294,299 4.045,306 1,307 1,308 642,309 3.937,312 174.354,313 104.208,320 1.934,321 47.669,324 1,325 1,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.88,332 62,333 306,334 4.737,335 5.141,336 6.895,337 4.183,338 3.27,339 4.55,340 4.507,341 11.389,342 3.023,343 4.47,344 4.914,345 6.76,346 4.112,347 3.236,348 3.93,349 2.95,350 11.103,351 2.801,352 4.196,353 3.759,354 6.173,355 3.82,356 2.85,357 3.636,358 1.961,359 9.134,360 2.747,361 3.862,362 3.689,363 5.904,364 3.559,365 2.592,366 3.071,367 1.189,368 8.061,369 2.488,370 3.455,371 3.269,372 5.376,373 3.11,374 2.163,375 2.617,376 0.86,377 6.701,378 2.04,379 3.256,380 3.015,381 5.069,382 2.822,383 1.91,384 2.314,385 0.581,386 5.667,387 1.729,388 3.039,389 2.63,390 4.663,391 2.542,392 1.613,393 2.128,394 0.544,395 4.532,396 1.47,397 2.917,398 2.306,399 4.334,400 2.457,401 1.497,402 2.081,403 0.104,404 3.947,405 1.433,406 2.747,407 2.156,408 3.757,409 2.316,410 1.374,411 1.769,413 3.029,414 1.242,415 2.412,416 1.92,417 3.724,418 1.86,419 0.877,420 1.178,422 2.209,423 0.847,424 2.234,425 1.691,426 3.613,427 1.668,428 0.712,429 0.96,431 1.797,432 0.666,433 1.707,434 1.443,435 3.025,436 1.413,437 0.523,438 0.6,440 0.89,441 0.459,442 1.251,443 0.94,444 2.764,445 0.932,446 -0.003,447 -0.004,449 -0.008,450 -0.003,451 1.165,452 0.925,453 2.636,454 0.676,455 -0.275,456 -0.336,458 -0.685,459 -0.247,460 1,461 0.642,462 2.472,463 0.608,464 -0.366,465 -0.473,467 -0.894,468 -0.342,469 13.967,470 0.499,471 0.958,472 0.034,473 33.75,474 1.205,475 16,476 0.571,477 17.75,478 0.634,479 25.775,480 0.921,481 30.433,482 0.662,483 27.701,484 0.989,485 6.477,486 0.231,487 6.737,488 0.241,489 0.227,490 0.06,491 0.315,496 0.601,497 1.177,498 0.711,499 0.977,500 0.602,501 0.872,502 0.758,503 1.093,504 0.784,505 0.893,506 0.58,507 0.857,508 1.118,509 0.95,510 0.858,511 0.871,512 1.12,513 0.938,514 1.214,515 0.877,516 0.955,517 0.84,518 1.158,519 0.929,520 0.983,521 1.263,522 1.207,523 1.312,524 1.087,525 1.135,526 0.641,527 0.989,528 0.959,529 0.967,530 0.64,531 0.963,532 0.908,533 1.022,534 1.351,535 1.221,536 0.953,537 1.032,538 1.515,539 1.051,540 1.416,541 1.201,542 1.663,543 1.16,544 7.5,545 0.099,546 3.778,547 3.208,548 1.672,549 1.136,550 0.855,551 0.573,552 0.433,553 0.194,554 9302,555 34474,556 1.964,557 39.1,559 13,560 1,562 1,564 3,567 1.711,568 1.778,569 3.42,570 -0.217,572 1,575 85.602,576 1.861,577 4.07,578 4.969,579 5.186,580 5.23,581 5.23,582 2.856,583 4.423,584 4.778,585 3.617,586 1367.15,587 8.312,588 18078.6,590 1,592 1,593 254.084,594 1.728,595 4.694,596 0.25,597 0.007,598 0.086,599 0.075,600 0.042,601 0.029,602 0.023,603 0.016,604 0.015,605 0.008,606 0.551,607 0.33,608 0.88,609 0.843,610 140.707,611 0.016,612 -0.103,613 0.114,614 -0.026,615 -0.094,616 0.019,617 0.09,618 -0.041,619 0.093,620 0.045,621 0.134,622 0.05,623 -0.13,624 0.041,625 -0.041,626 -0.012,627 -0.137,628 -0.025,629 -0.168,630 0.112,631 -0.05,632 0.083,633 -0.119,634 0.007,635 0.013,636 -0.242,637 -0.092,638 -0.222,639 -0.017,640 -0.153,641 0.22,642 0.007,643 0.028,644 0.02,645 0.205,646 0.031,647 -0.041,648 0.026,649 -0.13,650 -0.054,651 -0.038,652 0.005,653 -0.344,654 -0.009,655 -0.161,656 -0.002,657 -0.341,658 -0.176,659 4.201,660 5.825,661 0.571,662 27.383,663 1.025,664 1.111,665 1.267,666 1.604,667 0.724,668 3.434,669 3.807,670 4.043,671 4.29,672 4.369,673 4.344,674 4.489,675 4.533,676 4.585,677 4.585,678 6.655,679 0.682,680 438.59,681 3.434,682 5.004,683 5.855,684 6.756,685 7.623,686 8.524,687 9.399,688 10.299,689 11.18,690 12.079,691 4.3,698 2,709 4,714 2,716 6,735 1,738 46,739 13,740 1,741 30,743 48,744 18,745 6,746 2,747 4,748 3,752 3,753 3,759 1,763 1,766 2,768 13,769 5,772 7,776 1,778 4,779 1,780 3,782 4,786 1,789 18,790 7,791 1,792 10,793 3,797 2,800 1,803 1,804 5,822 2,823 1,838 1,845 3,852 1,855 3,857 3,859 2,862 28,865 1,869 1,871 1,872 1,873 1,874 2,875 1,886 10.9,889 4,891 1,893 15.75,894 8.783,895 6.083,896 2.521,898 2.12,899 1.297,900 0.954,901 6.296,902 9.266,903 3.714,904 4.284,905 4.698,906 5.129,907 5.514,908 5.575,909 5.91,910 6.136,911 6.378,912 6.547,913 1,914 43,915 10.608,917 4.853,918 8.164,919 19.251,921 16.046,924 2.664,925 74.583,929 200.109,930 188.153,931 21.135,933 105.603,935 83.458,936 104.696,937 305.711,938 21.135,939 19.708,940 29.876,941 62.903,942 105.563,943 19.429,944 11.771,945 220.557,946 45.192,947 200.109,948 125.831,949 105.603,950 83.458,952 164.795,953 140.916,956 30.86,957 74.468,958 26.549,959 77.412,960 200.109,961 126.738,962 188.153,964 6.046,965 200.109,966 52.508,967 87.531,968 18.011,969 150.795,970 200.109,971 126.738,972 188.153,973 0.597,974 0.35,975 0.185,976 0.09,977 21,978 11,979 0.104,980 5,982 1,983 3.821,984 239.011,986 16,987 132.606,989 1,990 1,992 1,993 21.056,994 8.373,995 4.682,997 126.738,998 7.25,1003 1.344,1005 18.011,1006 515,1007 40,1011 -3.284,1013 48.29,1014 5.293,1015 4.18,1017 -0.194,1020 47.138,1021 51.125,1022 0.337,1023 0.737,1024 0.9,1025 0.939,1026 0.947,1027 0.947,1028 4.994,1029 1.497,1030 5.905,1031 4.532,1032 4.489,1033 4.97,1034 4.226,1035 6.779,1036 4.338,1037 6.237,1038 1.374,1039 7.518,1040 3.947,1041 4.369,1042 5.112,1043 3.224,1044 7.964,1045 4.112,1046 7.592,1047 0.877,1048 9.234,1049 3.029,1050 6.201,1051 7.204,1052 6.784,1053 10.979,1054 5.886,1055 8.984,1056 0.712,1057 11.008,1058 2.209,1059 6.847,1060 8.133,1061 6.51,1062 12.92,1063 6.409,1064 10.409,1065 0.523,1066 12.817,1067 1.797,1068 8.229,1069 9.804,1070 9.6,1071 15.522,1072 7.731,1073 11.856,1074 -0.003,1075 14.65,1076 0.89,1077 9.185,1078 11.051,1079 9.752,1080 17.748,1081 8.561,1082 13.32,1083 -0.275,1084 16.5,1085 -0.008,1086 10.418,1087 12.594,1088 12.496,1089 20.222,1090 9.722,1091 3.27,1092 -0.366,1093 18.363,1094 -0.685,1095 11.498,1096 13.975,1097 12.933,1098 22.56,1099 10.684,1100 3.236,1101 11.389,1102 20.235,1103 -0.894,1104 12.683,1105 15.478,1106 15.428,1107 24.994,1108 11.785,1109 2.85,1110 11.103,1111 22.116,1112 4.55,1113 13.814,1114 16.919,1115 16.07,1116 27.377,1117 12.805,1118 2.592,1119 9.134,1120 24.002,1121 3.93,1122 14.986,1123 18.413,1124 18.38,1125 29.799,1126 13.885,1127 2.163,1128 8.061,1129 25.894,1130 3.636,1131 16.139,1132 19.883,1133 19.177,1134 32.202,1135 14.933,1136 1.91,1137 6.701,1138 27.789,1139 3.071,1140 17.308,1141 21.378,1142 21.344,1143 34.622,1144 16.008,1145 1.613,1146 5.667,1147 29.689,1148 2.617,1149 18.472,1150 22.864,1151 22.261,1152 37.034,1153 17.07,1154 9182,1155 17850,1156 18.898,1157 33.318,1158 46.065,1159 52.748,1160 48.184,1161 45.324,1162 45.232,1163 57.668,1164 25.391,1165 136.919,1166 41.89,1167 5.723,1168 7.141,1169 6.589,1170 5.32,1171 5.27,1172 7.55,1173 8.641,1174 18.779,1175 5.023,1176 17.87,1177 1.536,1178 1.758,1179 1.606,1180 1.511,1181 1.508,1182 1.922,1183 0.846,1184 4.564,1185 1.396,1186 4.095,1187 4.069,1188 4.751,1189 4.104,1190 7.715,1191 3.982,1192 3.957,1193 3.968,1194 4.217,1195 3.911,1196 7.432,1197 3.89,1198 3.79,1199 3.813,1200 3.844,1201 3.712,1202 7.423,1203 3.672,1204 3.513,1205 3.524,1206 3.589,1207 3.392,1208 6.999,1209 3.373,1210 3.249,1211 3.315,1212 3.387,1213 3.081,1214 4.879,1215 3.016,1216 3.208,1217 3.248,1218 3.204,1219 3.011,1220 4.744,1221 2.976,1222 3.018,1223 3.053,1224 3.063,1225 2.965,1226 4.393,1227 2.925,1228 2.914,1229 2.955,1230 2.891,1231 2.701,1232 4.372,1233 2.69,1234 0.158,1235 0.171,1236 0.23,1237 0.139,1238 0.109,1239 4.737,1240 0.152,1241 5.141,1242 0.15,1243 6.895,1244 0.38,1245 4.183,1246 0.101,1247 3.27,1248 4.55,1249 4.507,1250 11.389,1251 3.023,1252 1.91,1253 1.893,1254 2.008,1255 1.995,1256 1.172,1257 2,1258 1.727,1259 1.785,1260 1.861,1261 1.911,1262 1.109,1263 1.91,1264 1.685,1265 1.647,1266 1.728,1267 1.781,1268 1.03,1269 1.86,1270 1.518,1271 1.471,1272 1.573,1273 1.692,1274 0.882,1275 1.703,1276 1.413,1277 1.407,1278 1.511,1279 1.525,1280 0.634,1281 1.539,1282 1.197,1283 1.124,1284 1.494,1285 1.502,1286 0.574,1287 1.518,1288 1.097,1289 1.103,1290 1.193,1291 1.217,1292 0.291,1293 1.258,1294 0.873,1295 0.805,1296 1.112,1297 1.197,1298 0.171,1299 1.179,1300 4.111,1302 5.468,1303 3.045,1304 6.997,1305 5.476,1306 8.6,1307 7.591,1308 10.242,1310 3.098,1315 -0.183,1317 2.628,1318 5.29,1319 1.108,1320 -1.477,1321 1.24,1326 31.393,1327 85.602,1328 187.213,1329 228.574,1330 238.574,1331 240.574,1332 240.574,1333 84.152,1334 7.146,1335 94.47,1336 163.18,1337 16,1338 12.605,1339 3.807,1340 3.459,1341 49.701,1342 110,1343 102,1344 0.219,1345 204.796,1346 372.34,1347 491.462,1348 11663,1350 20.474,1351 0.731,1352 0.627,1353 21.578,1354 17.566,1355 13.214,1356 0.44,1357 0.376,1358 8.45,1359 11.267,1360 7.952,1361 6.569,1362 14.765,1363 11.271,1364 12.703,1365 0.289,1366 0.224,1367 15.187,1368 9.85,1369 10.159,1370 0.181,1371 0.125,1372 12.102,1373 6.999,1374 8.412,1375 0.117,1376 0.076,1377 10.648,1378 5.472,1379 5.955,1380 0.076,1381 0.04,1382 7.76,1383 3.138,1384 0.344,1385 98.969,1386 0.23,1387 26.732,1388 0.603,1389 148,1390 525.237,1391 242.528,1392 559.102,1393 728.87,1394 512,1395 174,1396 458.502,1397 263.069,1398 517.357,1399 753.5,1400 481,1401 4.237}
{0 CHEMBL1422613,1 2.036,2 9.25,3 4.129,4 17.046,5 94.844,6 12.363,7 0.48,8 3.673,9 3.718,10 3.798,11 3.388,12 4.941,13 3.329,14 4.18,15 4.244,16 4.081,17 3.765,18 5.776,19 3.701,20 4.433,21 4.528,22 4.269,23 3.878,24 5.904,25 3.814,26 4.503,27 4.619,28 4.197,29 3.828,30 5.985,31 3.763,32 4.508,33 4.649,34 4.236,35 3.745,36 5.937,37 3.674,38 4.309,39 4.4,40 4.218,41 3.596,42 6.229,43 3.591,44 4.223,45 4.33,46 4.185,47 3.526,48 6.076,49 3.481,50 4.142,51 4.257,52 4.234,53 3.352,54 5.803,55 3.335,56 0.206,57 0.447,58 1.726,59 3.338,60 36.955,61 2.914,62 0.491,63 0.693,64 16.72,65 6.278,66 103.908,67 5.629,68 0.678,69 0.89,70 14.263,71 7.915,72 111.231,73 6.562,74 0.795,75 0.974,76 17.169,77 8.673,78 135.709,79 6.941,80 0.984,81 0.933,82 33.383,83 9.816,84 193.381,85 7.713,86 0.955,87 0.729,88 18.229,89 6.963,90 198.073,91 5.782,92 0.814,93 0.686,94 34.7,95 7.11,96 161.412,97 5.489,98 0.768,99 0.579,100 14.839,101 6.037,102 116.856,103 3.886,104 55,105 36,106 0.367,107 0.66,108 0.761,109 0.841,110 0.841,111 0.841,112 3.229,113 1.169,114 -5.16,115 -5.05,116 -4.73,117 1,120 42.9,126 2,143 7,144 2,145 3,158 1,167 2,174 6,176 2,177 3,185 8,189 15,197 7,201 13,209 4,213 2,214 6,222 6,226 5,227 6,235 6,239 4,240 7,247 7,252 10,260 3,264 3,271 4,274 848,275 15.325,276 15.325,277 15.325,278 15.325,279 15.325,280 13.166,281 14.328,282 8.73,283 15.821,284 12.205,285 12.205,286 12.205,287 12.205,288 12.205,289 8.826,290 11.85,291 4.007,292 13.109,293 3.093,294 1.466,295 0.904,296 0.457,297 0.457,298 0.457,299 3.881,303 1,306 1,307 1,308 449,309 4.062,313 171.709,320 1.271,321 51.721,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.583,333 222,334 4.862,335 5.263,336 7.313,337 4.276,338 3.404,339 4.711,340 3.272,341 12.538,342 3.028,343 4.416,344 3.809,345 6.431,346 3.968,347 2.988,348 4.142,349 2.612,350 9.85,351 2.836,352 4.024,353 3.631,354 5.97,355 3.634,356 2.634,357 3.49,358 1.624,359 8.319,360 2.614,361 3.835,362 3.049,363 5.182,364 3.301,365 2.397,366 3.394,368 6.347,369 2.121,370 3.421,371 2.854,372 4.938,373 2.853,374 1.882,375 2.711,377 5.335,378 1.812,379 3.071,380 2.428,381 4.594,382 2.521,383 1.581,384 2.275,386 4.46,387 1.43,388 2.852,389 1.89,390 4.095,391 2.372,392 1.396,393 1.949,395 3.468,396 1.326,397 2.647,398 1.759,399 3.681,400 2.061,401 1.077,402 1.631,404 2.595,405 1.041,406 2.5,407 1.438,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 1.478,416 1.056,417 3.207,418 0.983,419 0.211,420 0.249,422 0.295,423 0.097,424 1.343,425 1,426 2.657,427 0.856,433 1.119,434 1,435 2.588,436 0.588,437 -0.234,438 -0.3,440 -0.522,441 -0.159,442 1,443 0.337,444 2.288,445 0.39,446 -0.606,447 -0.843,449 -1.653,450 -0.577,451 1,452 0.109,453 2,455 -1,456 -1.384,458 -2,459 -0.885,460 0.851,461 -0.139,462 2,464 -1,465 -1.5,467 -2.92,468 -0.93,469 12.448,470 0.519,471 0.845,472 0.035,473 33.75,474 1.406,475 19.5,476 0.813,477 14.25,478 0.594,479 18.68,480 0.778,481 25.352,482 0.724,483 25.783,484 1.074,485 5.994,486 0.25,487 5.247,488 0.219,489 0.298,490 0.067,491 0.273,496 0.35,497 0.947,498 0.531,499 0.868,500 0.579,501 0.767,502 0.589,503 1.092,504 0.959,505 1.062,506 0.541,507 0.996,508 1.008,509 1.151,510 0.648,511 1.007,512 0.954,513 1.057,514 1.202,515 1.18,516 0.664,517 1.038,518 1.141,519 1.098,520 1.271,521 0.917,522 0.886,523 0.884,524 1.459,525 0.899,526 0.792,527 1.007,528 0.806,529 0.909,530 0.879,531 0.852,532 0.897,533 1.018,534 1.088,535 1.032,536 0.759,537 1.011,538 1.419,539 0.875,540 1.197,541 0.951,542 1.515,543 0.973,544 7,545 0.078,546 4,547 2.063,548 1.596,549 1.403,550 0.732,551 0.439,552 0.213,553 0.157,554 5237,555 26526,556 1.893,557 31.4,559 11,567 1.675,568 1.704,569 3.148,570 -0.617,572 1,575 71.258,576 2.036,577 3.663,578 4.225,579 4.672,580 4.672,581 4.672,582 2.606,583 4.137,584 4.555,585 3.29,586 907.97,587 7.896,588 10549.4,590 1,592 1,593 179.525,594 1.759,595 4.458,596 0.28,597 0.01,598 0.111,599 0.054,600 0.046,601 0.044,602 0.022,603 0.015,604 0.01,605 0.012,606 0.603,607 0.17,608 1,609 1.199,610 112.606,611 0.204,612 0.15,613 0.021,614 0.008,615 -0.044,616 0.028,617 0.122,618 -0.095,619 -0.142,620 -0.134,621 0.178,622 -0.119,623 -0.161,624 -0.15,625 -0.038,626 -0.116,627 -0.099,628 -0.151,629 -0.256,630 -0.152,631 -0.056,632 -0.11,633 -0.156,634 -0.155,635 -0.191,636 0.075,637 -0.005,638 0.133,639 -0.302,640 0.139,641 0.34,642 -0.036,643 0.013,644 -0.004,645 0.31,646 0.059,647 0.151,648 0.001,649 -0.03,650 -0.062,651 0.288,652 -0.071,653 -0.219,654 0.029,655 0.089,656 -0.002,657 -0.273,658 -0.009,659 4.738,660 5.479,661 0.5,662 18.722,663 1.048,664 1.107,665 3.928,666 15.426,667 0.763,668 3.258,669 3.611,670 3.807,671 3.97,672 4.174,673 4.304,674 4.248,675 4.078,676 4.007,677 4.06,678 5.479,679 0.737,680 432.69,681 3.258,682 4.812,683 5.645,684 6.529,685 7.387,686 8.277,687 9.142,688 10.035,689 10.904,690 11.798,691 2.9,702 1,709 7,714 5,716 12,721 1,731 1,737 1,738 35,739 17,740 2,741 25,742 1,743 36,744 15,745 12,746 5,747 7,748 1,750 1,752 2,753 2,754 1,759 1,768 13,769 2,772 5,775 1,776 1,778 5,782 1,786 1,789 11,790 5,792 9,793 3,797 1,803 1,804 5,823 2,855 2,857 1,858 1,860 1,862 24,865 1,869 2,885 2,886 14.3,889 3,892 2,893 14.083,894 6.319,895 5.292,896 1.821,898 2.417,899 1.37,900 0.959,901 5.888,902 8.952,903 3.611,904 4.263,905 4.723,906 5.219,907 5.727,908 6.049,909 6.254,910 6.083,911 6.295,912 6.692,913 1,914 38,915 9.193,917 4.328,918 8.491,919 15.968,921 13.047,924 2.991,925 71.778,929 129.482,930 94.996,931 51.624,932 39.149,933 120.205,935 6.046,936 134.904,937 288.836,938 5.67,939 5.67,940 3.304,941 72.38,942 74.591,943 14.179,945 129.482,946 135.85,947 129.482,948 94.62,949 120.205,950 45.195,951 45.954,952 129.482,953 69.458,954 50.747,956 3.304,957 85.646,958 50.865,959 45.954,960 129.482,961 125.875,962 180.099,964 6.046,965 129.482,966 22.616,967 72.004,968 45.954,969 159.353,970 129.482,971 125.875,972 180.099,973 0.595,974 0.34,975 0.159,976 0.088,977 16,978 9,979 0.139,980 5,982 1,983 3.365,984 189.002,986 12,987 102.039,992 1,993 18.75,994 7.536,995 4.498,997 120.205,998 9.202,1003 0.197,1006 435.456,1007 36,1010 -0.672,1011 -3.821,1013 58.973,1017 -0.296,1020 36.669,1021 38.742,1022 0.397,1023 0.714,1024 0.824,1025 0.911,1026 0.911,1027 0.911,1028 4.852,1029 1.077,1030 5.7,1031 3.468,1032 4.29,1033 4.949,1034 3.661,1035 6.567,1036 4.159,1037 6.128,1038 1,1039 7.318,1040 2.595,1041 4.205,1042 5.173,1043 2.361,1044 7.842,1045 3.949,1046 7.502,1047 0.211,1048 9.048,1049 2.275,1050 6.004,1051 7.307,1052 5.727,1053 10.842,1054 5.722,1055 8.916,1057 10.845,1058 0.295,1059 6.673,1060 8.283,1061 4.506,1062 12.905,1063 6.242,1064 10.362,1065 -0.234,1066 12.686,1068 8.054,1069 10.002,1070 7.964,1071 15.538,1072 7.589,1073 11.831,1074 -0.606,1075 14.557,1076 -0.522,1077 9.029,1078 11.285,1079 6.556,1080 17.886,1081 8.414,1082 13.317,1083 -1,1084 16.45,1085 -1.653,1086 10.275,1087 12.872,1088 10.269,1089 20.425,1090 9.6,1091 3.404,1092 -1,1093 18.361,1094 -2,1095 11.379,1096 14.287,1097 8.548,1098 22.878,1099 10.561,1100 2.988,1101 12.538,1102 20.285,1103 -2.92,1104 12.585,1105 15.831,1106 12.604,1107 25.397,1108 11.682,1109 2.634,1110 9.85,1111 22.219,1112 4.711,1113 13.744,1114 17.307,1115 10.509,1116 27.891,1117 12.706,1118 2.397,1119 8.319,1120 24.162,1121 4.142,1122 14.943,1123 18.839,1124 14.954,1125 30.409,1126 13.802,1127 1.882,1128 6.347,1129 26.112,1130 3.49,1131 16.128,1132 20.345,1133 12.452,1134 32.92,1135 14.856,1136 1.581,1137 5.335,1138 28.068,1139 3.394,1140 17.329,1141 21.877,1142 17.312,1143 35.44,1144 15.944,1145 1.396,1146 4.46,1147 30.029,1148 2.711,1149 18.528,1150 23.399,1151 14.386,1152 37.96,1153 17.013,1154 5445,1155 12351,1156 15.315,1157 26.705,1158 37.41,1159 41.933,1160 40.049,1161 37.378,1162 37.14,1163 52.102,1164 15.018,1165 110.962,1166 34.608,1167 5.702,1168 7.263,1169 6.857,1170 5.383,1171 5.404,1172 7.711,1173 6.545,1174 19.968,1175 5.028,1176 16.028,1177 1.496,1178 1.677,1179 1.602,1180 1.495,1181 1.486,1182 2.084,1183 0.601,1184 4.438,1185 1.384,1186 4.127,1187 4.11,1188 6.88,1189 4.13,1190 7.815,1191 4.042,1192 3.949,1193 3.954,1194 4.744,1195 3.867,1196 7.714,1197 3.861,1198 3.636,1199 3.618,1200 3.956,1201 3.593,1202 7.427,1203 3.522,1204 3.6,1205 3.606,1206 3.919,1207 3.369,1208 6.999,1209 3.361,1210 3.271,1211 3.292,1212 3.533,1213 2.962,1214 6.999,1215 3.009,1216 2.913,1217 2.958,1218 3.172,1219 2.812,1220 4.928,1221 2.79,1222 2.854,1223 2.925,1224 3.062,1225 2.735,1226 4.627,1227 2.715,1228 2.682,1229 2.729,1230 2.769,1231 2.566,1232 4.257,1233 2.54,1234 0.194,1235 0.211,1236 0.293,1237 0.171,1238 0.136,1239 4.862,1240 0.188,1241 5.263,1242 0.131,1243 7.313,1244 0.502,1245 4.276,1246 0.121,1247 3.404,1248 4.711,1249 3.272,1250 12.538,1251 3.028,1252 2.02,1253 2.031,1254 2.034,1255 2.115,1256 1.322,1257 2.119,1258 1.897,1259 1.885,1260 1.946,1261 1.982,1262 1.1,1263 1.995,1264 1.521,1265 1.54,1266 1.53,1267 1.736,1268 0.847,1269 1.677,1270 1.393,1271 1.384,1272 1.413,1273 1.623,1274 0.694,1275 1.645,1276 1.074,1277 1.042,1278 1.181,1279 1.394,1280 0.218,1281 1.388,1282 0.901,1283 0.863,1284 1.171,1285 1.062,1286 0.208,1287 1.107,1288 0.886,1289 0.821,1290 1.019,1291 1.059,1292 0.158,1293 1.095,1294 0.646,1295 0.599,1296 0.895,1297 0.856,1299 0.895,1300 3.932,1302 5.273,1304 6.806,1306 8.42,1308 10.078,1309 3.014,1311 5.734,1315 -0.553,1326 25.796,1327 71.258,1328 128.222,1329 147.873,1330 163.525,1331 163.525,1332 163.525,1333 87.764,1334 6.535,1335 97.03,1336 105.41,1337 12,1338 12.329,1339 4.17,1340 3.585,1341 48.087,1342 76,1343 86,1344 0.309,1345 174.603,1346 308.37,1347 417.791,1348 4816,1349 5.7,1350 17.905,1351 0.746,1352 0.636,1353 19.655,1354 15.267,1355 11.241,1356 0.45,1357 0.39,1358 6.751,1359 9.194,1360 6.348,1361 5.207,1362 13.058,1363 9.743,1364 10.776,1365 0.299,1366 0.218,1367 12.893,1368 7.857,1369 8.296,1370 0.189,1371 0.129,1372 10.32,1373 5.681,1374 6.17,1375 0.119,1376 0.074,1377 7.683,1378 3.868,1379 4.632,1380 0.072,1381 0.044,1382 6.076,1383 2.833,1384 0.47,1385 92.563,1386 0.256,1387 23.044,1388 0.89,1389 122,1390 500.041,1391 240.665,1392 558.89,1393 696.99,1394 506,1395 141,1396 409.798,1397 230.733,1398 459.172,1399 658.29,1400 425,1401 4.496}
{0 CHEMBL1422749,1 1.707,2 9.524,3 0.814,4 0.663,5 78.903,6 7.981,7 0.545,8 3.692,9 3.818,10 3.292,11 3.165,12 4.966,13 3.172,14 4.151,15 4.306,16 3.595,17 3.515,18 5.512,19 3.5,20 4.416,21 4.622,22 3.633,23 3.612,24 5.621,25 3.577,26 4.466,27 4.687,28 3.561,29 3.532,30 5.82,31 3.488,32 4.395,33 4.626,34 3.431,35 3.401,36 5.755,37 3.356,38 4.195,39 4.406,40 3.234,41 3.22,42 5.511,43 3.186,44 4.055,45 4.281,46 3.176,47 3.105,48 5.561,49 3.069,50 3.921,51 4.154,52 2.983,53 3.067,54 5.065,55 3.009,56 0.17,57 0.552,58 6.634,59 2.743,60 9.976,61 3.624,62 0.293,63 0.81,64 11.561,65 4.554,66 43.354,67 6.153,68 0.379,69 0.956,70 17.223,71 5.665,72 41.361,73 7.888,74 0.572,75 0.907,76 19.388,77 5.631,78 71.949,79 7.941,80 0.567,81 0.769,82 19.335,83 5.561,84 80.045,85 7.803,86 0.458,87 0.64,88 15.394,89 4.374,90 70.886,91 5.866,92 0.49,93 0.578,94 13.442,95 3.707,96 90.935,97 5.308,98 0.314,99 0.534,100 11.609,101 3.453,102 42.672,103 4.803,104 18,105 29,106 0.309,107 0.629,108 0.767,109 0.835,110 0.856,111 0.856,112 3.102,113 0.879,114 -2.62,115 -2.64,116 -2.57,120 38.9,122 1,126 1,143 6,145 3,146 2,159 1,164 1,165 1,166 1,167 2,174 4,176 1,177 2,180 1,182 2,185 2,187 3,189 3,191 1,192 1,193 1,194 3,196 1,199 3,201 4,203 3,204 3,206 2,208 1,209 3,211 1,214 3,216 1,217 3,219 1,222 2,224 1,226 1,227 4,232 2,235 1,237 1,239 2,240 3,245 1,246 1,249 1,250 1,254 1,260 2,262 1,266 2,269 2,271 3,273 2,274 567,275 13.897,276 13.897,277 13.897,278 13.897,279 13.897,280 11.883,281 14.991,282 8.401,283 14.105,284 10.835,285 10.835,286 10.835,287 10.835,288 10.835,289 7.917,290 16.799,291 3.974,292 11.16,293 3.463,294 1.695,295 0.931,296 0.556,297 0.444,298 0.444,299 3.76,306 1,307 1,308 412,309 3.317,313 154.399,320 1.497,321 28.403,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47,333 200,334 4.463,335 3.808,336 6.558,337 4.029,338 3.059,339 4.191,340 2.612,341 10.176,342 2.964,343 3.92,344 3.594,345 5.606,346 3.522,347 2.567,348 3.448,349 1.907,350 7.309,351 2.464,352 3.842,353 2.869,354 5.354,355 3.37,356 2.414,357 3.304,358 0.149,359 6.964,360 2.29,361 3.521,362 2.608,363 4.917,364 3.065,365 2.063,366 2.742,368 5.576,369 2.052,370 2.927,371 1.869,372 4.123,373 2.474,374 1.491,375 2.09,377 3.315,378 1.462,379 2.881,380 1.579,381 3.741,382 2.403,383 1.414,384 2.036,386 3.128,387 1.398,388 2.848,389 1.466,390 3.623,391 2.256,392 1.268,393 1.938,395 3.001,396 1.25,397 2.5,398 1.013,399 3.247,400 1.984,401 1,402 1.5,404 2.136,405 0.983,406 1.798,407 1,408 3.107,409 1.575,410 0.594,411 0.683,413 1.382,414 0.579,415 1.452,416 1,417 2.632,418 1.109,419 0.137,420 0.169,422 0.321,423 0.132,424 1,425 0.695,426 2.328,427 0.559,428 -0.414,429 -0.528,431 -1.008,432 -0.401,433 0.976,434 0.12,435 2.124,436 0.399,437 -0.606,438 -0.797,440 -1.339,441 -0.603,442 0.79,443 -0.176,444 1.729,445 0.106,446 -0.908,447 -1.252,449 -2,450 -0.912,451 0.543,452 -0.567,453 1.555,455 -1,456 -1.5,458 -2.254,459 -0.946,460 0.5,461 -0.961,462 1.55,463 -0.049,464 -1,465 -1.663,467 -2.347,468 -1,469 9.6,470 0.457,471 0.511,472 0.024,473 30,474 1.429,475 16.5,476 0.786,477 13.5,478 0.643,479 12.167,480 0.579,481 23.1,482 0.642,483 21.679,484 1.032,485 6.214,486 0.296,487 3.861,488 0.184,489 0.146,491 0.292,496 0.542,497 1.253,498 0.735,499 0.992,500 0.572,501 0.912,502 0.557,503 1.332,504 0.827,505 1.176,506 0.435,507 1.078,508 0.868,509 1.152,510 0.97,511 1.113,512 0.754,513 1.066,514 0.973,515 0.931,516 1.081,517 1.045,518 0.947,519 1.075,520 1.096,521 0.901,522 0.957,523 0.943,524 1.178,525 0.932,526 1.422,527 1.023,528 1.139,529 0.998,530 1.553,531 1.014,532 0.885,533 0.843,534 0.935,535 0.848,536 0.795,537 0.883,538 1.081,539 0.733,540 1.023,541 0.75,542 1.016,543 0.848,544 4,545 0.078,546 2.222,547 1.375,548 1.084,549 0.5,550 0.346,551 0.208,552 0.107,553 0.121,554 4346,555 14461,556 1.968,557 41.7,559 8,561 2,562 3,563 2,567 1.628,568 1.826,569 3.239,570 1.156,572 1,574 1,575 61.456,576 1.707,577 3.475,578 4.239,579 4.614,580 4.725,581 4.725,582 2.684,583 3.916,584 4.366,585 3.4,586 713.902,587 7.461,588 7834.24,589 1,590 1,593 186.117,594 1.461,595 4.311,596 0.182,597 0.007,598 0.077,599 0.047,600 0.043,601 0.023,602 0.019,603 0.012,604 0.007,605 0.009,606 0.426,607 0.5,608 1,609 0.874,610 96.33,611 0.107,612 0.01,613 0.023,614 0.063,615 -0.046,616 0.026,617 0.142,618 -0.185,619 -0.008,620 -0.125,621 0.177,622 -0.105,623 -0.07,624 -0.108,625 -0.054,626 -0.131,627 -0.038,628 -0.095,629 0.014,630 0.054,631 -0.098,632 -0.116,633 0.014,634 -0.13,635 0.012,636 -0.029,637 0.086,638 0.014,639 -0.004,640 0.055,641 -0.208,642 -0.131,643 -0.11,644 -0.045,645 -0.234,646 -0.058,647 0.188,648 0.087,649 0.089,650 0.085,651 0.285,652 0.077,653 -0.168,654 0.225,655 -0.036,656 0.217,657 -0.147,658 0.14,659 2.579,660 4.869,661 0.571,662 16,663 1.021,664 1.136,665 1.387,666 1.925,667 0.655,668 3.135,669 3.401,670 3.584,671 3.738,672 3.85,673 3.664,674 3.689,675 3.611,676 3.584,677 3.497,678 5.789,679 0.642,680 287.33,681 3.135,682 4.635,683 5.442,684 6.282,685 7.107,686 7.95,687 8.782,688 9.626,689 10.463,690 11.308,691 11.1,695 1,698 1,701 1,702 1,709 8,714 3,715 1,716 12,728 1,731 1,738 36,739 15,740 1,741 22,743 37,744 14,745 11,746 3,747 3,752 2,753 2,766 1,768 12,769 2,772 3,775 1,778 3,782 1,785 1,786 1,789 15,790 5,791 3,792 7,797 4,798 1,803 1,804 3,816 1,823 2,838 1,855 2,862 21,863 1,869 2,871 1,886 8.3,889 1,892 2,893 11.5,894 6.2,895 4.75,896 1.992,898 2.26,899 1.363,900 0.955,901 4.979,902 8.482,903 3.466,904 4.025,905 4.472,906 4.952,907 5.393,908 5.277,909 5.517,910 5.446,911 5.537,912 5.451,913 1,914 29,915 7.727,917 3.245,918 8.222,919 14.069,921 10.914,924 2.722,925 57.167,929 141.253,930 92.567,931 58.477,933 75.892,936 92.567,937 217.145,938 58.477,939 5.67,940 22.651,941 89.755,942 55.291,943 26.365,945 117.711,946 50.747,947 141.253,948 151.045,949 75.892,952 141.253,953 25.145,954 50.747,956 40.746,957 102.73,958 7.569,960 141.253,961 134.369,962 92.567,965 141.253,966 17.615,967 82.521,968 18.011,969 108.789,970 141.253,971 134.369,972 92.567,973 0.571,974 0.325,975 0.167,976 0.086,977 12,978 6,979 0.135,980 5,982 1,983 3.347,984 146.489,986 12,987 83.484,993 15.097,994 6.925,995 4.081,997 126.8,998 13.661,1003 0.001,1004 1.871,1005 50.908,1006 368.19,1007 31,1010 -0.579,1013 33.429,1017 -0.251,1020 36.749,1021 40.905,1022 0.33,1023 0.672,1024 0.82,1025 0.893,1026 0.914,1027 0.914,1028 4.654,1029 1,1030 5.407,1031 3.001,1032 4.078,1033 4.71,1034 2.904,1035 6.151,1036 4.019,1037 5.854,1038 0.594,1039 6.932,1040 2.136,1041 3.611,1042 4.511,1043 2.675,1044 6.969,1045 3.51,1046 7.147,1047 0.137,1048 8.562,1049 1.382,1050 5.602,1051 6.862,1052 4.394,1053 10.033,1054 5.472,1055 8.476,1056 -0.414,1057 10.255,1058 0.321,1059 5.943,1060 7.455,1061 4.704,1062 11.699,1063 5.766,1064 9.835,1065 -0.606,1066 11.989,1067 -1.008,1068 7.415,1069 9.303,1070 6.084,1071 14.29,1072 7.213,1073 11.215,1074 -0.908,1075 13.752,1076 -1.339,1077 8.141,1078 10.277,1079 6.665,1080 16.313,1081 7.895,1082 12.613,1083 -1,1084 15.537,1085 -2,1086 9.394,1087 11.91,1088 7.87,1089 18.74,1090 9.124,1091 3.059,1092 -1,1093 17.338,1094 -2.254,1095 10.311,1096 13.085,1097 8.607,1098 20.924,1099 10.002,1100 2.567,1101 10.176,1102 19.153,1103 -2.347,1104 11.471,1105 14.614,1106 9.711,1107 23.288,1108 11.137,1109 2.414,1110 7.309,1111 20.979,1112 4.191,1113 12.484,1114 15.9,1115 10.54,1116 25.544,1117 12.115,1118 2.063,1119 6.964,1120 22.813,1121 3.448,1122 13.608,1123 17.377,1124 11.585,1125 27.883,1126 13.212,1127 1.491,1128 5.576,1129 24.655,1130 3.304,1131 14.669,1132 18.726,1133 12.469,1134 30.173,1135 14.241,1136 1.414,1137 3.315,1138 26.504,1139 2.742,1140 15.781,1141 20.178,1142 13.48,1143 32.502,1144 15.324,1145 1.268,1146 3.128,1147 28.357,1148 2.09,1149 16.867,1150 21.563,1151 14.395,1152 34.808,1153 16.379,1154 4393,1155 8157,1156 14.216,1157 23.574,1158 32.12,1159 33.923,1160 33.096,1161 32.028,1162 32.016,1163 44.202,1164 9.337,1165 86.614,1166 31.149,1167 5.358,1168 5.808,1169 6.36,1170 5.065,1171 5.059,1172 7.191,1173 4.612,1174 17.205,1175 4.964,1176 11.115,1177 1.46,1178 1.542,1179 1.504,1180 1.456,1181 1.455,1182 2.009,1183 0.424,1184 3.937,1185 1.416,1186 4.014,1187 4.051,1188 3.978,1189 3.873,1190 7.815,1191 3.888,1192 3.938,1193 3.986,1194 3.869,1195 3.799,1196 7.429,1197 3.808,1198 3.606,1199 3.642,1200 3.554,1201 3.394,1202 6.999,1203 3.408,1204 3.447,1205 3.479,1206 3.378,1207 3.047,1208 5.086,1209 3.137,1210 3.107,1211 3.185,1212 2.978,1213 2.884,1214 4.799,1215 2.899,1216 3.007,1217 3.111,1218 2.86,1219 2.735,1220 4.505,1221 2.736,1222 2.854,1223 2.925,1224 2.687,1225 2.701,1226 3.985,1227 2.715,1228 2.719,1229 2.81,1230 2.573,1231 2.422,1232 3.825,1233 2.469,1234 0.203,1235 0.173,1236 0.298,1237 0.183,1238 0.139,1239 4.463,1240 0.191,1241 3.808,1242 0.119,1243 6.558,1244 0.463,1245 4.029,1246 0.135,1247 3.059,1248 4.191,1249 2.612,1250 10.176,1251 2.964,1252 1.925,1253 1.894,1254 2.042,1255 2.102,1256 1.199,1257 2.075,1258 1.892,1259 1.846,1260 1.995,1261 2.062,1262 1.079,1263 2.042,1264 1.524,1265 1.479,1266 1.736,1267 1.769,1268 0.893,1269 1.735,1270 1.204,1271 1.17,1272 1.31,1273 1.622,1274 0.32,1275 1.546,1276 1.047,1277 0.975,1278 1.295,1279 1.328,1280 0.218,1281 1.332,1282 0.892,1283 0.821,1284 1.181,1285 1.28,1286 0.19,1287 1.257,1288 0.886,1289 0.813,1290 1.145,1291 1.062,1292 0.163,1293 1.107,1294 0.654,1295 0.565,1296 0.974,1297 0.967,1299 0.986,1300 3.807,1302 5.081,1304 6.55,1306 8.106,1308 9.707,1313 5.678,1315 0.762,1317 2.594,1326 23.127,1327 61.456,1328 125.098,1329 152.608,1330 166.117,1331 170.117,1332 170.117,1333 48.904,1334 6.223,1335 104.82,1336 104.82,1337 12,1338 11.871,1339 4,1340 3.322,1341 39.455,1342 73,1343 67,1344 0.265,1345 147.487,1346 254.81,1347 351.628,1348 3644,1350 15.242,1351 0.726,1352 0.537,1353 15.242,1354 11.282,1355 10.075,1356 0.458,1357 0.293,1358 6.328,1359 9.555,1360 6.246,1361 5.206,1362 10.075,1363 6.443,1364 8.88,1365 0.306,1366 0.156,1367 8.88,1368 4.529,1369 6.885,1370 0.197,1371 0.087,1372 6.885,1373 3.037,1374 5.395,1375 0.132,1376 0.047,1377 5.395,1378 1.936,1379 4.03,1380 0.088,1381 0.027,1382 4.03,1383 1.227,1384 0.419,1385 64.238,1386 0.265,1387 21.143,1388 0.713,1389 102,1390 362.83,1391 115.553,1392 348.356,1393 452.88,1394 318,1395 115,1396 326.353,1397 128.364,1398 323.06,1399 458.3,1400 302,1401 5.101}
{0 CHEMBL1422947,1 1.342,2 7.231,3 3.904,4 15.239,5 102.856,6 7.587,7 0.4,8 3.909,9 4.006,10 3.514,11 3.594,12 4.979,13 3.554,14 4.479,15 4.619,16 3.935,17 4.048,18 5.485,19 3.99,20 4.794,21 4.97,22 4.082,23 4.208,24 5.852,25 4.141,26 4.85,27 5.033,28 4.101,29 4.213,30 5.995,31 4.146,32 4.825,33 4.998,34 4.09,35 4.217,36 5.968,37 4.152,38 4.881,39 5.069,40 4.054,41 4.225,42 6.065,43 4.14,44 4.823,45 5.033,46 3.787,47 4.085,48 5.913,49 3.96,50 4.687,51 4.934,52 3.16,53 3.77,54 5.694,55 3.571,56 0.014,57 0.543,58 8.267,59 4.261,60 4.765,61 5.449,62 0.043,63 0.981,64 16.098,65 7.764,66 11.953,67 10.137,68 0.155,69 1.371,70 24.316,71 10.447,72 35.418,73 13.47,74 0.315,75 1.446,76 26.632,77 10.947,78 58.675,79 13.99,80 0.199,81 1.387,82 25.437,83 10.8,84 46.45,85 13.592,86 0.312,87 1.457,88 27.722,89 11.754,90 71.461,91 15.036,92 0.201,93 1.375,94 26.893,95 11.46,96 50.719,97 14.849,98 0.315,99 1.213,100 25.552,101 10.001,102 69.441,103 12.829,104 10,105 45,106 0.228,107 0.563,108 0.739,109 0.852,110 0.885,111 0.893,112 3.307,113 0.92,114 -4.85,115 -4.76,116 -4.47,120 51.1,121 1,122 3,123 2,137 1,139 1,143 8,144 4,157 1,158 2,174 18,177 8,185 24,189 9,197 21,200 2,201 11,209 21,214 8,222 23,226 1,227 10,235 24,240 9,247 23,252 2,260 13,271 4,274 920,275 17.845,276 17.845,277 17.845,278 17.845,279 17.845,280 15.778,281 20.718,282 10.29,283 17.839,284 14.827,285 14.827,286 14.827,287 14.827,288 14.827,289 11.527,290 27.101,291 4.877,292 14.801,293 4.15,294 2.179,295 1.145,296 0.478,297 0.283,298 0.239,299 4.019,305 1,306 1,307 1,308 421,309 2.345,312 30.068,313 177.553,316 118.464,317 67.978,320 0.959,321 28.417,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.5,333 188,334 4.737,335 4.021,336 7.285,337 4.48,338 3.48,339 4.254,340 1.521,341 13.038,342 3.48,343 4.376,344 3.687,345 6.74,346 4.045,347 3.036,348 3.886,349 1.277,350 10.945,351 3.061,352 4.043,353 3.161,354 6.064,355 3.659,356 2.659,357 3.602,358 0.945,359 8.604,360 2.66,361 3.586,362 2.971,363 5.65,364 3.285,365 2.282,366 2.862,367 0.68,368 7.173,369 2.289,370 3.58,371 2.636,372 5.54,373 3.169,374 2.171,375 2.816,376 0.362,377 6.914,378 2.16,379 3.307,380 2.468,381 5.055,382 2.946,383 1.931,384 2.553,386 5.708,387 1.953,388 3.175,389 2.258,390 4.923,391 2.829,392 1.815,393 2.262,395 5.356,396 1.832,397 2.823,398 1.709,399 4.362,400 2.476,401 1.475,402 1.935,404 3.795,405 1.476,406 2.689,407 1.447,408 3.782,409 2.319,410 1.319,411 1.753,413 2.979,414 1.319,415 2.557,416 1.341,417 3.694,418 2.191,419 1.19,420 1.531,422 2.645,423 1.191,424 2.474,425 1.265,426 3.585,427 1.97,428 0.976,429 1.41,431 2.474,432 0.967,433 2.204,434 1.188,435 3.468,436 1.846,437 0.814,438 1.057,440 2.059,441 0.835,442 1.297,443 0.908,444 3.047,445 0.915,446 -0.126,447 -0.153,449 -0.323,450 -0.127,451 1.114,452 0.339,453 2.875,454 0.769,455 -0.227,456 -0.27,458 -0.642,459 -0.228,460 0.98,461 0.082,462 2.43,463 0.622,464 -0.394,465 -0.5,467 -0.896,468 -0.397,469 12.567,470 0.483,471 0.696,472 0.027,473 34,474 1.308,475 18,476 0.692,477 16,478 0.615,479 22.678,480 0.872,481 25.833,482 0.574,483 25.097,484 0.965,485 6.368,486 0.245,487 6.28,488 0.242,489 0.093,491 0.438,496 0.49,497 0.947,498 0.722,499 0.887,500 0.489,501 0.84,502 0.543,503 1.034,504 0.783,505 0.965,506 0.55,507 0.912,508 1.008,509 1.075,510 0.928,511 0.989,512 0.998,513 0.953,514 1.161,515 0.973,516 0.958,517 0.936,518 1.181,519 0.924,520 1.268,521 0.993,522 0.984,523 0.976,524 1.218,525 0.95,526 1.106,527 1.002,528 1.014,529 1.021,530 1.111,531 1.009,532 1.143,533 1.149,534 1.164,535 1.183,536 1.147,537 1.181,538 1.596,539 1.07,540 1.48,541 1.168,542 1.597,543 1.289,544 4,546 2.889,547 2.986,548 2.088,549 1.445,550 0.782,551 0.408,552 0.127,553 0.031,554 6837,555 15955,556 2.192,557 42.2,558 6,559 8,563 3,564 2,567 1.704,568 2.053,569 2.858,570 -0.874,572 1,575 60.381,576 1.342,577 3.313,578 4.347,579 5.014,580 5.208,581 5.253,582 2.19,583 4.547,584 4.674,585 2.986,586 970.335,587 8.17,588 11404.7,590 1,592 1,593 247.133,594 1.399,595 4.635,596 0.133,598 0.064,599 0.06,600 0.042,601 0.029,602 0.017,603 0.012,604 0.008,605 0.008,606 0.373,607 0.67,608 0.88,609 0.54,610 121.109,611 0.004,612 0.023,613 0.055,614 0.052,615 -0.01,616 0.057,617 0.031,618 -0.059,619 0.06,620 -0.012,621 -0.006,622 0.019,623 -0.042,624 -0.068,625 0.003,626 -0.04,627 -0.077,628 -0.017,629 0.047,630 0.042,631 0.01,632 0.014,633 0.001,634 0.007,635 -0.092,636 -0.003,637 -0.033,638 -0.021,639 -0.027,640 -0.018,641 0.056,642 -0.031,643 -0.043,644 -0.051,645 0.085,646 -0.055,647 -0.081,648 -0.196,649 -0.176,650 -0.2,651 -0.042,652 -0.2,653 -0.285,654 -0.1,655 -0.417,656 -0.177,657 -0.243,658 -0.29,659 1.713,660 6.266,661 0.885,662 17.615,663 0.994,664 1.103,665 3.618,666 13.088,667 0.706,668 3.434,669 3.829,670 4.22,671 4.625,672 4.97,673 5.17,674 5.425,675 5.628,676 5.74,677 5.749,678 4.756,679 0.671,680 341.43,681 3.434,682 5.017,683 5.927,684 6.864,685 7.799,686 8.747,687 9.693,688 10.647,689 11.597,690 12.554,691 2.2,700 1,709 8,714 4,716 12,719 1,721 1,738 45,739 16,740 2,741 30,743 49,744 23,745 12,746 4,747 8,748 5,752 5,753 11,759 1,763 3,764 2,766 3,768 17,769 6,770 2,772 4,778 2,781 1,782 5,786 1,789 19,790 3,792 3,797 1,803 0.4,804 2,822 1,823 4,826 2,827 1,836 1,845 1,846 1,855 2,859 1,862 26,869 3,874 2,886 4.4,889 2,893 12.667,894 8.617,895 5.528,896 2.996,898 3.082,899 1.377,900 1.039,901 3.334,902 11.266,903 3.714,904 4.331,905 4.956,906 5.568,907 6.148,908 6.478,909 6.961,910 7.396,911 7.791,912 8.063,913 0.8,914 50,915 9.749,917 4.465,918 7.699,919 18.85,921 16.846,924 2.199,925 57.167,928 1,929 223.651,930 123.947,931 16.786,933 50.29,936 123.947,937 273.941,938 16.786,939 8.825,940 7.604,941 75.81,942 66.07,943 32.713,945 223.651,947 223.651,948 140.733,949 50.29,952 200.109,953 73.832,956 33.214,957 104.762,958 2.757,960 223.651,961 67.075,962 123.947,965 223.651,966 39.312,967 84.635,969 67.075,970 223.651,971 67.075,972 123.947,973 0.593,974 0.365,975 0.221,976 0.133,977 26,978 11,979 0.02,980 1,981 3,982 1.261,983 3.589,984 255.416,985 0.261,986 23,987 120.211,993 15.462,994 5.607,995 2.205,997 67.075,998 15.923,1003 3.858,1006 414.673,1007 40,1013 26.093,1016 4.861,1017 2.769,1020 44.709,1021 49.654,1022 0.244,1023 0.603,1024 0.792,1025 0.913,1026 0.948,1027 0.956,1028 4.997,1029 1.475,1030 5.943,1031 5.356,1032 4.511,1033 5.017,1034 2.474,1035 6.866,1036 4.515,1037 6.224,1038 1.319,1039 7.564,1040 3.795,1041 4.205,1042 4.844,1044 7.97,1045 4.222,1046 7.559,1047 1.19,1048 9.29,1049 2.979,1050 6.196,1051 7.196,1052 2.949,1053 11.184,1054 6.203,1055 8.929,1056 0.976,1057 11.078,1058 2.645,1059 6.735,1060 7.824,1062 13.158,1063 6.754,1064 10.334,1065 0.814,1066 12.908,1067 2.474,1068 8.219,1069 9.665,1070 3.586,1071 15.908,1072 8.229,1073 11.765,1074 -0.126,1075 14.768,1076 2.059,1077 9.146,1078 10.678,1080 18.235,1081 9.166,1082 13.216,1083 -0.227,1084 16.648,1085 -0.323,1086 10.447,1087 12.298,1088 4.302,1089 20.84,1090 10.461,1091 3.48,1092 -0.394,1093 18.546,1094 -0.642,1095 11.547,1096 13.506,1098 23.305,1099 11.566,1100 3.036,1101 13.038,1102 20.456,1103 -0.896,1104 12.788,1105 15.023,1106 5.061,1107 25.868,1108 12.805,1109 2.659,1110 10.945,1111 22.378,1112 4.254,1113 13.962,1114 16.333,1116 28.387,1117 13.981,1118 2.282,1119 8.604,1120 24.308,1121 3.886,1122 15.189,1123 17.801,1124 5.847,1125 30.942,1126 15.206,1127 2.171,1128 7.173,1129 26.246,1130 3.602,1131 16.395,1132 19.165,1134 33.483,1135 16.412,1136 1.931,1137 6.914,1138 28.19,1139 2.862,1140 17.621,1141 20.611,1142 6.65,1143 36.038,1144 17.638,1145 1.815,1146 5.708,1147 30.139,1148 2.816,1149 18.842,1150 22.005,1152 38.589,1153 18.859,1154 6378,1155 9839,1156 20.403,1157 31.767,1158 47.104,1159 48.705,1160 48.392,1161 46.269,1162 46.296,1163 59.842,1164 9.573,1165 143.383,1166 46.448,1167 5.709,1168 6.021,1169 6.963,1170 5.524,1171 5.48,1172 7.254,1173 3.042,1174 20.891,1175 5.48,1176 10.683,1177 1.57,1178 1.624,1179 1.613,1180 1.542,1181 1.543,1182 1.995,1183 0.319,1184 4.779,1185 1.548,1186 4.122,1187 4.142,1188 4.083,1189 4.056,1190 7.429,1191 4.059,1192 3.903,1193 3.927,1194 3.844,1195 3.854,1196 7.424,1197 3.848,1198 3.814,1199 3.846,1200 3.737,1201 3.727,1202 4.839,1203 3.724,1204 3.486,1205 3.531,1206 3.383,1207 3.375,1208 4.713,1209 3.37,1210 3.187,1211 3.259,1212 3.068,1213 3.052,1214 4.519,1215 3.039,1216 3.126,1217 3.161,1218 3.04,1219 2.947,1220 3.981,1221 2.96,1222 3.084,1223 3.126,1224 2.922,1225 2.919,1226 3.898,1227 2.915,1228 2.925,1229 2.978,1230 2.804,1231 2.787,1232 3.731,1233 2.783,1234 0.158,1235 0.134,1236 0.243,1237 0.149,1238 0.116,1239 4.737,1240 0.142,1241 4.021,1242 0.051,1243 7.285,1244 0.435,1245 4.48,1246 0.116,1247 3.48,1248 4.254,1249 1.521,1250 13.038,1251 3.48,1252 2.009,1253 1.986,1254 2.111,1255 2.095,1256 1.413,1257 2.1,1258 1.892,1259 1.87,1260 1.999,1261 1.966,1262 1.206,1263 1.978,1264 1.826,1265 1.796,1266 1.972,1267 1.929,1268 1.092,1269 1.945,1270 1.536,1271 1.498,1272 1.718,1273 1.689,1274 0.995,1275 1.698,1276 1.203,1277 1.133,1278 1.52,1279 1.406,1280 0.597,1281 1.45,1282 1.086,1283 1.052,1284 1.331,1285 1.302,1286 0.565,1287 1.304,1288 1.048,1289 1.005,1290 1.226,1291 1.252,1292 0.385,1293 1.237,1294 0.933,1295 0.882,1296 1.147,1297 1.096,1298 0.252,1299 1.122,1300 4.111,1302 5.485,1303 2.398,1304 7.076,1305 4.949,1306 8.77,1307 7.235,1308 10.522,1310 2.046,1315 2.213,1320 -0.597,1326 30.192,1327 60.381,1328 149.08,1329 195.624,1330 225.624,1331 234.379,1332 236.379,1333 48.505,1334 8.185,1335 46.5,1336 46.5,1337 29,1338 13.04,1339 4.087,1340 3.459,1341 33.385,1342 72,1343 72,1344 0.229,1345 179.94,1346 325.04,1347 430.814,1348 38840,1350 17.836,1351 0.686,1352 0.564,1353 17.836,1354 14.659,1355 12.648,1356 0.422,1357 0.307,1358 9.157,1359 12.457,1360 8.914,1361 7.315,1362 12.648,1363 9.199,1364 11.803,1365 0.262,1366 0.165,1367 11.803,1368 7.413,1369 10.623,1370 0.159,1371 0.086,1372 10.623,1373 5.775,1374 9.887,1375 0.098,1376 0.046,1377 9.887,1378 4.67,1379 8.7,1380 0.061,1381 0.025,1382 8.7,1383 3.595,1384 0.335,1385 77.45,1386 0.221,1387 23.829,1388 0.721,1389 150,1390 371.116,1391 156.261,1392 366.689,1393 510.81,1394 344,1395 187,1396 380.09,1397 193.817,1398 389.257,1399 581.71,1400 370,1401 4.583}
{0 CHEMBL1423440,1 1.754,2 9.318,3 3.862,4 14.911,5 83.29,6 8.458,7 0.478,8 3.724,9 3.818,10 3.422,11 3.331,12 4.964,13 3.287,14 4.215,15 4.355,16 3.799,17 3.694,18 5.553,19 3.629,20 4.457,21 4.633,22 3.812,23 3.776,24 5.7,25 3.692,26 4.563,27 4.777,28 3.936,29 3.736,30 5.834,31 3.656,32 4.377,33 4.531,34 3.747,35 3.663,36 5.684,37 3.58,38 4.381,39 4.551,40 3.708,41 3.612,42 5.976,43 3.501,44 4.243,45 4.401,46 3.343,47 3.394,48 5.628,49 3.336,50 4.116,51 4.327,52 3.273,53 3.228,54 5.413,55 3.164,56 0.096,57 0.573,58 6.809,59 3.892,60 15.175,61 4.219,62 0.281,63 0.916,64 14.352,65 6.537,66 46.423,67 7.589,68 0.318,69 1.129,70 19.191,71 8.261,72 52.469,73 9.322,74 0.554,75 1.136,76 28.287,77 9.183,78 75.163,79 10.351,80 0.446,81 0.93,82 19.87,83 7.373,84 79.096,85 7.39,86 0.676,87 0.965,88 26.256,89 8.534,90 123.93,91 8.927,92 0.551,93 0.776,94 17.434,95 5.744,96 91.955,97 5.444,98 0.312,99 0.713,100 15.437,101 5.652,102 47.489,103 6.574,104 42,105 32,106 0.317,107 0.69,108 0.798,109 0.817,110 0.817,111 0.817,112 3.146,113 1,114 -4.55,115 -4.47,116 -4.21,120 42.1,121 2,122 1,123 1,143 4,144 3,145 1,152 1,154 1,159 2,168 1,172 1,174 9,175 1,177 2,180 2,182 4,185 11,186 1,189 3,194 4,195 1,197 6,198 2,201 6,204 1,205 1,206 5,209 5,210 1,214 2,215 1,219 2,222 7,223 3,226 1,227 4,230 1,232 5,235 7,236 2,240 3,245 2,247 5,248 2,252 4,257 2,260 6,271 6,274 656,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.503,281 15.063,282 8.28,283 14.412,284 11.322,285 11.322,286 11.322,287 11.322,288 11.322,289 8.811,290 17.94,291 3.906,292 11.779,293 3.494,294 1.425,295 0.829,296 0.724,297 0.724,298 0.724,299 3.798,305 1,306 1,307 1,308 416,309 3.674,312 68.396,313 78.65,320 1.347,321 35.803,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49,333 205,334 4.505,335 3.674,336 6.748,337 4.12,338 3.156,339 4.175,340 1.437,341 10.964,342 3.044,343 4.169,344 3.547,345 6.036,346 3.8,347 2.797,348 3.75,349 1.058,350 8.617,351 2.799,352 3.665,353 2.902,354 5.225,355 3.278,356 2.316,357 3.019,359 6.404,360 2.244,361 3.406,362 2.872,363 5.024,364 3.208,365 2.229,366 2.565,368 5.972,369 2.141,370 3.293,371 2.338,372 4.866,373 2.845,374 1.917,375 2.466,377 5.204,378 1.752,379 2.917,380 1.969,381 4.381,382 2.652,383 1.682,384 1.968,386 4.27,387 1.61,388 2.705,389 1.786,390 4.014,391 2.198,392 1.213,393 1.697,395 3.201,396 1.169,397 2.5,398 1.043,399 3.469,400 2,401 1,402 1.5,404 2.275,405 1,406 2.294,407 1,408 3.414,409 1.641,410 0.78,411 1.139,413 1.881,414 0.645,415 1.222,416 0.683,417 2.797,418 0.967,424 1.113,425 0.443,426 2.423,427 0.682,428 -0.249,429 -0.305,431 -0.556,432 -0.223,433 0.771,434 0.343,435 2,436 0.45,437 -0.53,438 -0.669,440 -1.387,441 -0.503,442 0.5,443 -0.062,444 2,445 0.006,446 -1,447 -1,449 -2,450 -0.947,451 0.46,452 -0.687,453 1.913,455 -1,456 -1.248,458 -2,459 -1,460 0.153,461 -0.968,462 1.73,464 -1,465 -1.484,467 -2.889,468 -1,469 10.519,470 0.478,471 0.706,472 0.032,473 26.5,474 1.205,475 13.5,476 0.614,477 13,478 0.591,479 18.56,480 0.844,481 24.281,482 0.639,483 19.217,484 0.874,485 5.082,486 0.231,487 5.298,488 0.241,489 0.217,491 0.38,494 1,496 0.661,497 0.923,498 0.726,499 0.874,500 0.624,501 0.875,502 0.444,503 1.004,504 0.767,505 1.008,506 0.439,507 0.933,508 0.846,509 1.155,510 0.907,511 1.079,512 0.825,513 1.092,514 0.8,515 0.87,516 0.878,517 1.026,518 0.857,519 0.837,520 1.243,521 0.827,522 1.24,523 1.023,524 1.252,525 1.02,526 0.672,527 0.914,528 1.549,529 1.439,530 0.633,531 1.108,532 1.776,533 0.759,534 1.401,535 0.884,536 1.731,537 1.052,538 0.949,539 0.972,540 0.676,541 0.94,542 1.009,543 0.969,544 5.5,545 0.045,546 2.667,547 1.847,548 1.272,549 1.115,550 0.355,551 0.309,552 0.19,553 0.182,554 4392,555 15582,556 1.919,557 42.1,558 9,559 4,560 1,562 2,567 1.647,568 1.737,569 3.183,570 0.348,572 1,574 1,575 66.666,576 1.754,577 3.823,578 4.419,579 4.524,580 4.524,581 4.524,582 2.642,583 3.789,584 4.429,585 3.325,586 767.987,587 7.621,588 8451.78,590 1,591 1,592 1,593 199.421,594 1.573,595 4.349,596 0.239,597 0.006,598 0.083,599 0.06,600 0.041,601 0.041,602 0.014,603 0.016,604 0.011,605 0.015,606 0.526,607 0.17,608 1,609 1.231,610 101.031,611 -0.068,612 0.048,613 0.023,614 0.106,615 -0.071,616 0.064,617 0.182,618 -0.056,619 0.118,620 0.009,621 0.172,622 0.051,623 -0.057,624 -0.173,625 -0.019,626 -0.116,627 -0.039,628 -0.117,629 0.081,630 0.017,631 0.245,632 0.013,633 0.013,634 0.167,635 -0.25,636 0.006,637 -0.169,638 0.015,639 -0.232,640 -0.087,641 0.288,642 -0.013,643 -0.172,644 -0.196,645 0.347,646 -0.092,647 -0.466,648 0.119,649 -0.455,650 0.023,651 -0.395,652 -0.184,653 -0.018,654 -0.173,655 0.147,656 -0.085,657 -0.038,658 0.016,659 2.73,660 5.112,661 0.5,662 17.421,663 1.02,664 1.124,665 3.316,666 10.996,667 0.685,668 3.178,669 3.497,670 3.689,671 3.932,672 4.025,673 4.06,674 3.951,675 3.932,676 4.007,677 3.932,678 5.497,679 0.657,680 321.4,681 3.178,682 4.71,683 5.533,684 6.409,685 7.258,686 8.138,687 8.996,688 9.879,689 10.742,690 11.626,691 2.6,698 1,709 5,713 1,714 5,716 11,723 1,725 1,737 1,738 38,739 13,740 1,741 23,743 39,744 16,745 10,746 2,747 4,748 2,752 2,753 2,759 2,766 1,768 12,769 4,770 1,772 2,778 2,782 2,786 1,787 1,789 16,790 5,791 2,792 6,793 1,797 1,803 1,804 3,822 1,823 1,853 1,855 2,857 1,859 2,861 1,862 22,868 1,869 1,871 1,874 1,880 1,885 1,886 7.9,888 1,889 2,893 12.667,894 7.343,895 4.861,896 2.238,898 2.045,899 1.321,900 0.926,901 5.3,902 8.425,903 3.45,904 4.021,905 4.529,906 5.067,907 5.386,908 5.551,909 5.612,910 5.708,911 6.098,912 6.31,913 1,914 31,915 8.188,917 3.522,918 8.265,919 14.943,921 11.953,924 2.765,925 60.833,929 164.795,930 122.239,931 18.011,933 92.973,934 14.96,935 31.278,936 90.961,937 257.769,938 32.971,939 17.65,940 20.545,941 45.554,942 98.588,943 19.607,944 26.731,945 184.302,947 164.795,948 108.972,949 107.933,950 31.278,952 179.756,953 92.973,956 39.125,957 69.846,959 31.278,960 179.756,961 110.984,962 122.239,965 164.795,966 59.034,967 63.204,968 18.011,969 107.933,970 164.795,971 125.944,972 122.239,973 0.585,974 0.321,975 0.174,976 0.094,977 14,978 8,979 0.128,980 5,982 1,983 3.295,984 163.109,986 11,987 89.353,989 1,993 16.627,994 7.013,995 4.145,997 125.944,998 6.836,1002 1.186,1003 0.989,1005 60.694,1006 412.978,1007 30.5,1013 23.565,1017 -1.522,1020 38.742,1021 42.708,1022 0.334,1023 0.729,1024 0.842,1025 0.862,1026 0.862,1027 0.862,1028 4.68,1029 1,1030 5.541,1031 3.201,1032 4.174,1033 4.705,1034 1.997,1035 6.344,1036 4.103,1037 5.897,1038 0.78,1039 7.104,1040 2.275,1041 3.892,1042 4.59,1044 7.281,1045 3.812,1046 7.205,1048 8.766,1049 1.881,1050 5.759,1051 6.858,1052 2.487,1053 10.352,1054 5.639,1055 8.546,1056 -0.249,1057 10.486,1059 6.236,1060 7.533,1062 12.139,1063 6.104,1064 9.917,1065 -0.53,1066 12.245,1067 -0.556,1068 7.641,1069 9.319,1070 3.063,1071 14.752,1072 7.477,1073 11.312,1074 -1,1075 14.032,1076 -1.387,1077 8.465,1078 10.365,1080 16.896,1081 8.282,1082 12.725,1083 -1,1084 15.842,1085 -2,1086 9.694,1087 11.948,1088 3.7,1089 19.355,1090 9.48,1091 3.156,1092 -1,1093 17.669,1094 -2,1095 10.682,1096 13.175,1098 21.646,1099 10.442,1100 2.797,1101 10.964,1102 19.509,1103 -2.889,1104 11.844,1105 14.667,1106 4.375,1107 24.054,1108 11.572,1109 2.316,1110 8.617,1111 21.362,1112 4.175,1113 12.909,1114 15.985,1116 26.404,1117 12.605,1118 2.229,1119 6.404,1120 23.223,1121 3.75,1122 14.048,1123 17.435,1124 5.073,1125 28.797,1126 13.711,1127 1.917,1128 5.972,1129 25.092,1130 3.019,1131 15.15,1132 18.8,1134 31.17,1135 14.777,1136 1.682,1137 5.204,1138 26.967,1139 2.565,1140 16.284,1141 20.231,1142 5.783,1143 33.561,1144 15.875,1145 1.213,1146 4.27,1147 28.847,1148 2.466,1149 17.404,1150 21.62,1152 35.945,1153 16.958,1154 4552,1155 8718,1156 14.334,1157 26.046,1158 35.038,1159 36.24,1160 36.295,1161 34.201,1162 34.182,1163 44.558,1164 4.99,1165 97.573,1166 32.809,1167 5.345,1168 5.674,1169 6.162,1170 5.233,1171 5.156,1172 7.175,1173 2.873,1174 17.799,1175 5.044,1176 14.216,1177 1.523,1178 1.576,1179 1.578,1180 1.487,1181 1.486,1182 1.937,1183 0.217,1184 4.242,1185 1.426,1186 3.99,1187 4.004,1188 4.252,1189 3.974,1190 8.201,1191 3.926,1192 3.886,1193 3.905,1194 3.869,1195 3.831,1196 7.475,1197 3.823,1198 3.61,1199 3.666,1200 3.498,1201 3.498,1202 7.429,1203 3.465,1204 3.312,1205 3.333,1206 3.292,1207 3.065,1208 6.351,1209 3.11,1210 3.167,1211 3.15,1212 3.275,1213 2.903,1214 4.634,1215 2.928,1216 2.874,1217 3.009,1218 2.737,1219 2.735,1220 4.56,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.678,1226 4.182,1227 2.631,1228 2.817,1229 2.89,1230 2.61,1231 2.618,1232 3.752,1233 2.57,1234 0.196,1235 0.16,1236 0.293,1237 0.179,1238 0.137,1239 4.505,1240 0.182,1241 3.674,1242 0.062,1243 6.748,1244 0.477,1245 4.12,1246 0.132,1247 3.156,1248 4.175,1249 1.437,1250 10.964,1251 3.044,1252 1.895,1253 1.874,1254 2,1255 1.996,1256 1.28,1257 1.993,1258 1.783,1259 1.742,1260 1.987,1261 1.915,1262 1.063,1263 1.945,1264 1.513,1265 1.495,1266 1.632,1267 1.695,1268 0.799,1269 1.671,1270 1.349,1271 1.33,1272 1.417,1273 1.5,1274 0.609,1275 1.508,1276 1.072,1277 1.071,1278 1.384,1279 1.323,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.181,1285 1.239,1286 0.242,1287 1.292,1288 0.886,1289 0.804,1290 1.163,1291 1.062,1292 0.218,1293 1.107,1294 0.797,1295 0.775,1296 1.019,1297 1.039,1298 0.158,1299 1.069,1300 3.85,1302 5.165,1303 2.398,1304 6.65,1305 4.727,1306 8.219,1307 6.823,1308 9.835,1310 4,1312 12.864,1314 9.374,1315 0.63,1317 2.598,1320 0.313,1326 24.951,1327 66.666,1328 145.282,1329 167.911,1330 171.911,1331 171.911,1332 171.911,1333 63.934,1334 6.38,1335 66.4,1336 94.64,1337 11,1338 12.164,1339 3.807,1340 3.087,1341 42.144,1342 71,1343 76,1344 0.294,1345 160.081,1346 282.31,1347 382.359,1348 4034,1349 2.6,1350 16.276,1351 0.74,1352 0.593,1353 15.759,1354 13.038,1355 10.38,1356 0.451,1357 0.333,1358 6.779,1359 9.54,1360 6.47,1361 5.44,1362 10.44,1363 7.667,1364 9.781,1365 0.306,1366 0.194,1367 9.71,1368 6.209,1369 7.081,1370 0.182,1371 0.102,1372 7.344,1373 3.987,1374 5.967,1375 0.119,1376 0.061,1377 6.703,1378 3.049,1379 4.284,1380 0.078,1381 0.036,1382 4.873,1383 1.985,1384 0.454,1385 69.827,1386 0.264,1387 21.608,1388 0.828,1389 110,1390 424.925,1391 145.366,1392 402.956,1393 519.47,1394 370,1395 126,1396 342.29,1397 156.434,1398 355.891,1399 517.11,1400 332,1401 5.006}
{0 CHEMBL1423501,1 1.57,2 10.042,3 3.738,4 13.976,5 94.829,6 8.186,7 0.462,8 3.836,9 3.928,10 3.485,11 3.409,12 4.945,13 3.39,14 4.36,15 4.497,16 3.785,17 3.751,18 5.456,19 3.715,20 4.571,21 4.746,22 3.888,23 3.842,24 5.707,25 3.794,26 4.521,27 4.702,28 3.737,29 3.843,30 5.576,31 3.746,32 4.586,33 4.799,34 3.746,35 3.835,36 5.626,37 3.711,38 4.539,39 4.763,40 3.723,41 3.722,42 5.596,43 3.618,44 4.384,45 4.567,46 3.744,47 3.641,48 5.548,49 3.58,50 4.35,51 4.513,52 3.696,53 3.657,54 5.532,55 3.57,56 0.031,57 0.534,58 7.369,59 3.931,60 5.936,61 4.726,62 0.25,63 0.861,64 16.836,65 6.519,66 20.903,67 7.748,68 0.537,69 1.044,70 21.968,71 7.833,72 47.261,73 9.504,74 0.262,75 1.006,76 19.239,77 8.158,78 30.072,79 10.3,80 0.303,81 1.03,82 25.026,83 9.164,84 40.608,85 11.836,86 0.426,87 0.962,88 26.418,89 8.389,90 46.381,91 10.69,92 0.464,93 0.813,94 21.655,95 6.952,96 40.37,97 8.336,98 0.334,99 0.78,100 18.479,101 6.972,102 40.828,103 8.164,104 7,105 34,106 0.275,107 0.582,108 0.742,109 0.834,110 0.854,111 0.862,112 3.228,113 0.956,114 -4.21,115 -4.15,116 -3.92,120 45.2,126 4,136 2,143 8,144 1,145 3,159 1,174 9,176 1,177 5,185 10,188 1,189 7,197 8,200 1,201 5,209 5,213 1,214 4,222 7,226 1,227 4,235 5,239 1,240 6,247 6,252 5,260 8,264 4,271 6,274 928,275 16.629,276 16.629,277 16.629,278 16.629,279 16.629,280 14.866,281 19.053,282 10.122,283 17.042,284 12.787,285 12.787,286 12.787,287 12.787,288 12.787,289 10.068,290 24.219,291 4.726,292 13.483,293 3.822,294 2.077,295 1.161,296 0.637,297 0.524,298 0.476,299 3.915,300 1,305 1,306 1,307 1,308 517,309 3.464,313 220.05,317 112.893,320 1.465,321 21.968,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51.833,333 241,334 4.344,335 3.784,336 6.477,337 3.997,338 3.048,339 3.952,340 2.116,341 10.068,342 2.886,343 4.008,344 3.25,345 6.118,346 3.694,347 2.759,348 3.51,349 0.86,350 8.934,351 2.573,352 3.931,353 2.71,354 5.339,355 3.515,356 2.516,357 3.263,358 0.86,359 6.964,360 2.51,361 3.346,362 2.52,363 5.021,364 2.949,365 1.973,366 2.564,367 0.825,368 5.589,369 1.899,370 3.1,371 2.185,372 4.419,373 2.602,374 1.618,375 2.28,376 0.316,377 4.36,378 1.596,379 2.923,380 1.964,381 3.955,382 2.53,383 1.609,384 2.061,386 3.451,387 1.469,388 2.686,389 1.888,390 3.646,391 2.357,392 1.427,393 1.683,395 3.069,396 1.315,397 2.5,398 1.746,399 3.594,400 2.255,401 1.286,402 1.5,404 2.882,405 1.233,406 2.481,407 1.454,408 3.247,409 2,410 1,411 1.472,413 2.136,414 1,415 2.135,416 1.063,417 3.224,418 1.707,419 0.784,420 0.98,422 1.759,423 0.703,424 1.829,425 1,426 3.12,427 1.486,428 0.596,429 0.708,431 1.364,432 0.512,433 1.463,434 0.908,435 2.569,436 0.92,437 0.153,438 0.184,440 0.22,441 0.092,442 1.025,443 0.102,444 2.441,445 0.737,446 -0.226,447 -0.269,449 -0.528,450 -0.213,451 0.771,452 0.013,453 2.185,454 0.388,455 -0.564,456 -0.676,458 -1.316,459 -0.524,460 0.686,461 -0.228,462 2,463 0.309,464 -0.618,465 -0.729,467 -1.6,468 -0.567,469 11.614,470 0.484,471 0.397,472 0.017,473 31.75,474 1.323,475 16.5,476 0.688,477 15.25,478 0.635,479 17.237,480 0.718,481 25.586,482 0.609,483 22.378,484 0.932,485 6.511,486 0.271,487 5.264,488 0.219,489 0.09,491 0.25,496 0.729,497 1.275,498 0.607,499 1.028,500 0.588,501 0.922,502 1.133,503 1.134,504 0.982,505 1.04,506 0.812,507 0.989,508 1.064,509 0.937,510 0.768,511 0.877,512 0.978,513 0.9,514 0.835,515 1.153,516 0.839,517 1.073,518 1.002,519 1.129,520 0.802,521 1.115,522 1.009,523 1.077,524 1.134,525 1.077,526 1.01,527 0.929,528 1.094,529 0.917,530 1.07,531 0.896,532 1.154,533 0.826,534 1.063,535 0.887,536 0.969,537 0.853,538 1.223,539 1.026,540 1.032,541 1.036,542 1.617,543 1.078,544 3.5,545 0.049,546 2.444,547 1.125,548 0.947,549 0.549,550 0.549,551 0.278,552 0.164,553 0.145,554 6498,555 19200,556 2.089,557 42.9,559 18,567 1.671,568 2,569 3.3,570 -0.782,572 1,574 1,575 65.953,576 1.57,577 3.316,578 4.231,579 4.755,580 4.869,581 4.916,582 2.736,583 4.085,584 4.556,585 3.45,586 952.268,587 7.872,588 11398.5,589 1,590 1,592 1,593 226.477,594 1.189,595 4.536,596 0.135,597 0.004,598 0.072,599 0.032,600 0.032,601 0.02,602 0.02,603 0.01,604 0.007,605 0.008,606 0.339,607 0.5,608 1,609 0.872,610 114.543,611 -0.016,612 -0.181,613 0.033,614 -0.09,615 -0.043,616 -0.023,617 -0.099,618 -0.071,619 -0.133,620 -0.102,621 -0.088,622 -0.088,623 0.053,624 0.109,625 0.021,626 0.041,627 0.038,628 0.012,629 -0.032,630 -0.139,631 -0.079,632 -0.127,633 -0.05,634 -0.173,635 0.014,636 -0.152,637 -0.007,638 -0.087,639 -0.046,640 -0.073,641 0.018,642 0.045,643 0.044,644 0.07,645 0.027,646 0.096,647 0.066,648 0.16,649 0.047,650 0.094,651 0.144,652 0.098,653 -0.081,654 -0.071,655 -0.033,656 -0.049,657 -0.116,658 -0.126,659 1.828,660 5.211,661 0.667,662 20.444,663 1.009,664 1.114,665 2.977,666 8.861,667 0.692,668 3.296,669 3.555,670 3.807,671 4.007,672 4.205,673 4.174,674 4.317,675 4.382,676 4.369,677 4.234,678 6.011,679 0.66,680 343.83,681 3.296,682 4.796,683 5.624,684 6.469,685 7.314,686 8.167,687 9.019,688 9.876,689 10.732,690 11.593,691 2.4,698 1,709 8,714 4,716 12,735 2,738 42,739 14,740 2,741 26,743 44,744 19,745 12,746 4,747 8,748 2,750 1,752 3,753 4,754 1,759 1,768 15,769 4,772 2,778 1,780 2,782 1,786 1,789 18,790 4,792 5,793 1,797 1,803 0.667,804 3,823 3,827 1,839 1,845 2,855 2,860 1,862 24,869 4,872 2,875 1,885 1,886 7.1,889 1,891 2,893 12,894 7.426,895 5.5,896 2.417,898 2.557,899 1.374,900 0.968,901 5.778,902 9.392,903 3.555,904 4.06,905 4.575,906 5.063,907 5.561,908 5.628,909 5.952,910 6.173,911 6.323,912 6.468,913 0.857,914 35,915 8.863,917 3.674,918 7.769,919 16.857,921 13.38,924 2.269,925 54.444,928 1,929 211.88,930 130.036,931 3.124,932 39.149,933 47.145,936 130.036,937 298.173,938 3.124,940 17.264,941 94.762,942 29.85,943 38.429,945 251.028,947 211.88,948 133.161,949 47.145,950 39.149,952 211.88,953 47.145,956 17.264,957 96.944,958 58.101,960 211.88,961 50.269,962 169.185,965 211.88,966 35.274,967 97.887,969 86.293,970 211.88,971 50.269,972 169.185,973 0.561,974 0.333,975 0.177,976 0.094,977 15,978 6,979 0.091,980 4,981 1,982 1.125,983 3.692,984 186.194,985 0.125,986 16,987 106.039,993 16.869,994 8.221,995 4.32,997 50.269,998 15.408,1003 3.168,1006 431.334,1007 34,1013 12.211,1015 3.92,1017 -0.161,1020 42.36,1021 46.807,1022 0.291,1023 0.615,1024 0.785,1025 0.882,1026 0.903,1027 0.912,1028 4.754,1029 1.286,1030 5.565,1031 3.069,1032 4.234,1033 4.745,1034 2.589,1035 6.315,1036 4.136,1037 5.912,1038 1,1039 7.083,1040 2.882,1041 3.611,1042 4.29,1043 1.668,1044 7.125,1045 3.492,1046 7.181,1047 0.784,1048 8.706,1049 2.136,1050 5.759,1051 6.814,1052 3.48,1053 10.213,1054 5.571,1055 8.485,1056 0.596,1057 10.396,1058 1.759,1059 6.019,1060 7.201,1061 3.401,1062 11.899,1063 5.779,1064 9.824,1065 0.153,1066 12.129,1067 1.364,1068 7.571,1069 9.159,1070 4.746,1071 14.471,1072 7.286,1073 11.185,1074 -0.226,1075 13.892,1076 0.22,1077 8.256,1078 9.957,1079 5.04,1080 16.503,1081 7.903,1082 12.565,1083 -0.564,1084 15.676,1085 -0.528,1086 9.547,1087 11.65,1088 6.143,1089 18.897,1090 9.155,1091 3.048,1092 -0.618,1093 17.475,1094 -1.316,1095 10.441,1096 12.672,1097 6.621,1098 21.074,1099 9.976,1100 2.759,1101 10.068,1102 19.285,1103 -1.6,1104 11.616,1105 14.223,1106 7.586,1107 23.402,1108 11.11,1109 2.516,1110 8.934,1111 21.104,1112 3.952,1113 12.612,1114 15.377,1115 8.169,1116 25.641,1117 12.035,1118 1.973,1119 6.964,1120 22.929,1121 3.51,1122 13.737,1123 16.847,1124 9.052,1125 27.946,1126 13.114,1127 1.618,1128 5.589,1129 24.76,1130 3.263,1131 14.783,1132 18.082,1133 9.698,1134 30.215,1135 14.092,1136 1.609,1137 4.36,1138 26.595,1139 2.564,1140 15.889,1141 19.507,1142 10.53,1143 32.512,1144 15.148,1145 1.427,1146 3.451,1147 28.433,1148 2.28,1149 16.96,1150 20.791,1151 11.215,1152 34.795,1153 16.155,1154 6280,1155 10914,1156 17.682,1157 29.08,1158 38.108,1159 39.749,1160 38.783,1161 37.452,1162 37.538,1163 48.316,1164 9.954,1165 101.593,1166 35.574,1167 5.288,1168 5.784,1169 6.279,1170 5.137,1171 5.048,1172 6.952,1173 3.785,1174 16.771,1175 4.886,1176 8.613,1177 1.466,1178 1.529,1179 1.492,1180 1.44,1181 1.444,1182 1.858,1183 0.383,1184 3.907,1185 1.368,1186 3.988,1187 4.011,1188 3.956,1189 3.894,1190 7.427,1191 3.896,1192 3.901,1193 3.926,1194 3.836,1195 3.83,1196 4.95,1197 3.832,1198 3.647,1199 3.681,1200 3.778,1201 3.463,1202 4.783,1203 3.476,1204 3.408,1205 3.461,1206 3.442,1207 3.27,1208 4.66,1209 3.263,1210 3.389,1211 3.425,1212 3.268,1213 3.222,1214 4.376,1215 3.22,1216 2.955,1217 3.015,1218 3.024,1219 2.804,1220 4.229,1221 2.795,1222 2.871,1223 2.925,1224 2.776,1225 2.735,1226 4.201,1227 2.715,1228 2.854,1229 2.92,1230 2.687,1231 2.715,1232 3.674,1233 2.709,1234 0.167,1235 0.146,1236 0.249,1237 0.154,1238 0.117,1239 4.344,1240 0.152,1241 3.784,1242 0.081,1243 6.477,1244 0.387,1245 3.997,1246 0.111,1247 3.048,1248 3.952,1249 2.116,1250 10.068,1251 2.886,1252 1.932,1253 1.906,1254 2.05,1255 2.049,1256 1.16,1257 2.041,1258 1.89,1259 1.871,1260 1.987,1261 1.987,1262 1.099,1263 1.997,1264 1.575,1265 1.534,1266 1.761,1267 1.791,1268 0.964,1269 1.78,1270 1.399,1271 1.349,1272 1.656,1273 1.584,1274 0.849,1275 1.611,1276 1.339,1277 1.301,1278 1.511,1279 1.527,1280 0.701,1281 1.544,1282 0.938,1283 0.877,1284 1.206,1285 1.139,1286 0.343,1287 1.167,1288 0.886,1289 0.821,1290 1.181,1291 1.068,1292 0.218,1293 1.107,1294 0.853,1295 0.801,1296 1.12,1297 1.062,1298 0.186,1299 1.082,1300 3.97,1302 5.242,1304 6.725,1306 8.301,1308 9.924,1311 5.765,1315 1.401,1318 11.103,1321 1.63,1326 27.735,1327 65.953,1328 139.258,1329 177.722,1330 199.722,1331 204.477,1332 206.477,1333 38.159,1334 6.835,1335 38.77,1336 38.77,1337 18,1338 12.144,1339 3.907,1340 3.17,1341 39.188,1342 82,1343 90,1344 0.221,1345 174.541,1346 309.84,1347 417.641,1348 7976,1349 2.4,1350 16.778,1351 0.699,1352 0.579,1353 17.278,1354 13.908,1355 11.775,1356 0.453,1357 0.319,1358 7.689,1359 11.036,1360 7.487,1361 6.163,1362 12.129,1363 8.287,1364 9.862,1365 0.29,1366 0.163,1367 10.066,1368 5.546,1369 8.435,1370 0.192,1371 0.088,1372 8.757,1373 3.879,1374 6.704,1375 0.124,1376 0.049,1377 6.856,1378 2.626,1379 5.391,1380 0.082,1381 0.027,1382 5.547,1383 1.75,1384 0.345,1385 77.472,1386 0.238,1387 23.582,1388 0.609,1389 120,1390 385.055,1391 143.664,1392 389.754,1393 517.36,1394 368,1395 138,1396 346.498,1397 159.301,1398 352.536,1399 516.11,1400 332,1401 5.777}
{0 CHEMBL1423731,1 1.862,2 9.381,3 0.135,4 0.018,5 69.541,6 9.363,7 0.261,8 3.623,9 3.714,10 3.352,11 3.03,12 4.934,13 3.117,14 4.117,15 4.225,16 3.723,17 3.371,18 5.528,19 3.452,20 4.324,21 4.461,22 3.763,23 3.408,24 5.774,25 3.495,26 4.158,27 4.308,28 3.582,29 3.227,30 5.914,31 3.274,32 3.98,33 4.171,34 3.2,35 3.105,36 5.245,37 3.095,38 3.858,39 4.044,40 3.231,41 3.032,42 5.176,43 3.046,44 3.862,45 4.029,46 3.197,47 2.932,48 5.257,49 3.004,50 3.752,51 3.901,52 3.191,53 2.783,54 5.285,55 2.868,56 0.256,57 0.489,58 3.831,59 2.289,60 20.277,61 2.122,62 0.577,63 0.708,64 8.269,65 3.781,66 39.667,67 3.791,68 0.887,69 0.772,70 13.007,71 4.354,72 81.128,73 4.314,74 0.8,75 0.652,76 10.725,77 3.704,78 106.165,79 4.362,80 0.576,81 0.556,82 10.4,83 3.359,84 58.864,85 4.088,86 0.427,87 0.511,88 8.778,89 3.18,90 33.597,91 4.139,92 0.506,93 0.475,94 8.726,95 2.565,96 57.458,97 2.634,98 0.557,99 0.386,100 8.156,101 2.522,102 51.928,103 2.881,104 10,105 32,106 0.35,107 0.707,108 0.769,109 0.81,110 0.822,111 0.834,112 3.103,113 0.787,114 -0.79,115 -0.91,116 -1.02,120 38.7,126 2,143 3,145 3,157 1,159 2,160 1,170 1,174 1,177 2,180 4,181 1,182 2,185 1,188 3,189 5,192 2,194 1,197 1,200 3,201 2,204 5,205 2,213 2,217 1,226 1,227 4,230 1,232 4,240 2,245 2,251 2,252 2,255 2,263 2,264 1,267 2,274 509,275 14.085,276 14.085,277 14.085,278 14.085,279 14.085,280 12.738,281 19.668,282 8.288,283 14.467,284 11.349,285 11.349,286 11.349,287 11.349,288 11.349,289 9.089,290 20.446,291 3.94,292 11.911,293 3.092,294 1.194,295 0.863,296 0.645,297 0.581,298 0.516,299 3.784,306 1,307 1,308 425,309 2.345,313 172.657,317 89.878,320 1.315,321 34.657,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 49,333 197,334 4.347,335 3.88,336 6.418,337 4.006,338 3.017,339 3.921,340 1.684,341 9.771,342 2.975,343 4.268,344 3.364,345 6.183,346 3.862,347 2.917,348 3.722,349 1.037,350 9.224,351 2.752,352 3.601,353 3.273,354 5.258,355 3.25,356 2.299,357 2.886,358 0.929,359 6.682,360 2.175,361 3.486,362 3.254,363 5.009,364 3.089,365 2.099,366 2.68,367 0.86,368 5.912,369 2.056,370 3.303,371 2.543,372 4.879,373 2.905,374 1.879,375 2.414,376 0.86,377 5.225,378 1.906,379 2.923,380 2.181,381 4.415,382 2.53,383 1.618,384 2.061,386 4.369,387 1.469,388 2.618,389 2.013,390 3.64,391 2.338,392 1.421,393 1.511,395 3.034,396 1.289,397 2.466,398 1.783,399 3.55,400 2.017,401 1.02,402 1.386,404 2.427,405 1.006,406 1.926,407 1.02,408 3.17,409 1.584,410 0.677,411 0.817,413 1.579,414 0.606,415 1.41,416 0.92,417 2.843,418 1.108,419 0.117,420 0.144,422 0.296,423 0.114,424 1,425 0.679,426 2.653,427 0.658,428 -0.347,429 -0.414,431 -0.898,432 -0.343,433 1,434 0.555,435 2.337,436 0.49,437 -0.47,438 -0.547,440 -1.124,441 -0.439,442 0.787,443 -0.006,444 2.112,445 0.418,446 -0.618,447 -0.729,449 -1.505,450 -0.565,451 0.685,452 -0.268,453 2,454 0.31,455 -0.686,456 -1.08,458 -1.599,459 -0.747,460 0.224,461 -0.48,462 1.702,463 -0.106,464 -1.053,465 -1.278,467 -2.795,468 -0.997,469 9.267,470 0.441,471 0.541,472 0.026,473 28.25,474 1.345,475 13.5,476 0.643,477 14.75,478 0.702,479 12.545,480 0.597,481 23.133,482 0.746,483 20.85,484 0.993,485 6.018,486 0.287,487 4.113,488 0.196,489 0.108,491 0.378,496 0.84,497 1.305,498 0.622,499 1.105,500 0.584,501 0.828,502 0.895,503 1.198,504 0.78,505 1.102,506 0.616,507 0.958,508 1.2,509 1.035,510 1.031,511 0.973,512 1.048,513 0.944,514 0.607,515 0.918,516 0.96,517 1.034,518 0.505,519 1.13,520 0.847,521 0.904,522 1.111,523 0.91,524 0.87,525 1.074,526 0.61,527 1.169,528 0.742,529 1.128,530 0.548,531 1.031,532 1.315,533 1.02,534 1.139,535 0.94,536 1.401,537 0.921,538 0.885,539 0.838,540 0.821,541 0.926,542 1.03,543 0.858,544 4.5,545 0.086,546 2.444,547 1.438,548 1.16,549 0.486,550 0.222,551 0.311,552 0.238,553 0.094,554 4551,555 17668,556 2.074,557 32.3,559 7,562 3,567 1.628,568 1.938,569 3.187,570 1.25,572 1,575 57.732,576 1.862,577 3.76,578 4.091,579 4.309,580 4.374,581 4.438,582 2.629,583 3.88,584 4.369,585 3.321,586 697.481,587 7.462,588 7461.9,590 1,593 153.58,594 1.418,595 4.322,596 0.196,597 0.011,598 0.076,599 0.045,600 0.046,601 0.027,602 0.012,603 0.017,604 0.014,605 0.007,606 0.451,607 0.67,608 1,609 0.61,610 95.349,611 -0.151,612 -0.084,613 0.009,614 -0.073,615 -0.071,616 0.025,617 -0.023,618 -0.108,619 0.004,620 -0.099,621 0.019,622 -0.068,623 -0.173,624 -0.059,625 -0.089,626 -0.023,627 -0.13,628 -0.026,629 0.345,630 0.084,631 -0.007,632 -0.102,633 0.48,634 -0.197,635 -0.033,636 0.06,637 -0.1,638 0.075,639 -0.082,640 -0.018,641 0.122,642 -0.194,643 0.247,644 -0.102,645 0.131,646 0.064,647 -0.367,648 -0.051,649 -0.153,650 -0.008,651 -0.291,652 0.039,653 0.198,654 0.065,655 0.224,656 0.036,657 0.043,658 0.129,659 2.539,660 4.461,661 0.762,662 14.512,663 1.055,664 1.138,665 -0.435,666 0.189,667 0.664,668 3.178,669 3.497,670 3.738,671 3.97,672 4.143,673 4.127,674 4.06,675 4.205,676 4.331,677 4.277,678 5.514,679 0.685,680 290.26,681 3.178,682 4.71,683 5.549,684 6.418,685 7.269,686 8.14,687 8.994,688 9.865,689 10.719,690 11.591,691 12.9,696 1,698 2,700 1,709 3,714 3,716 6,735 2,738 31,739 10,740 1,741 23,743 33,744 12,745 6,746 3,747 3,748 3,752 3,753 4,755 1,757 1,768 10,769 2,772 4,778 3,781 1,782 4,785 1,786 1,789 10,790 9,791 3,792 9,797 4,800 2,803 0.667,804 5,823 3,827 1,855 2,862 21,869 2,871 3,872 2,886 16.1,889 3,891 2,893 10.833,894 5.533,895 4.583,896 1.669,898 1.971,899 1.29,900 0.975,901 3.661,902 8.757,903 3.434,904 3.961,905 4.434,906 4.901,907 5.278,908 5.487,909 5.66,910 6.034,911 6.38,912 6.529,913 1,914 32,915 7.754,917 3.417,918 8.317,919 13.854,921 10.999,924 2.817,925 59.167,929 82.398,930 67.299,931 70.573,933 97.435,936 67.299,937 179.832,938 70.573,940 45.206,941 28.429,942 105.489,943 51.906,944 4.276,945 82.398,947 82.398,948 137.872,949 97.435,952 82.398,953 97.435,956 61.869,957 58.114,958 17.888,960 82.398,961 168.007,962 67.299,965 82.398,966 38.87,967 28.429,968 53.91,969 114.098,970 82.398,971 168.007,972 67.299,973 0.584,974 0.339,975 0.183,976 0.093,977 16,978 7,979 0.061,980 2,981 1,982 1.125,983 3.375,984 158.131,985 0.125,986 16,987 86.239,993 13.699,994 5.613,995 2.924,997 168.007,998 4.964,1003 1.654,1005 53.91,1006 317.704,1007 30,1013 33.816,1016 3.693,1017 -3.046,1020 32.695,1021 35.286,1022 0.376,1023 0.759,1024 0.826,1025 0.87,1026 0.883,1027 0.896,1028 4.677,1029 1.02,1030 5.533,1031 3.034,1032 4.174,1033 4.644,1034 2.534,1035 6.319,1036 4.092,1037 5.87,1038 0.677,1039 7.079,1040 2.427,1041 3.761,1042 4.494,1043 1.195,1044 7.154,1045 3.694,1046 7.173,1047 0.117,1048 8.722,1049 1.579,1050 5.746,1051 6.731,1052 2.906,1053 10.227,1054 5.592,1055 8.506,1056 -0.347,1057 10.421,1058 0.296,1059 6.111,1060 7.349,1061 2.324,1062 11.865,1063 5.971,1064 9.868,1065 -0.47,1066 12.156,1067 -0.898,1068 7.587,1069 9.101,1070 3.553,1071 14.45,1072 7.374,1073 11.25,1074 -0.618,1075 13.915,1076 -1.124,1077 8.33,1078 10.073,1079 3.46,1080 16.433,1081 8.12,1082 12.648,1083 -0.686,1084 15.693,1085 -1.505,1086 9.587,1087 11.625,1088 4.389,1089 18.832,1090 9.322,1091 3.017,1092 -1.053,1093 17.484,1094 -1.599,1095 10.514,1096 12.773,1097 4.572,1098 20.967,1099 10.243,1100 2.917,1101 9.771,1102 19.286,1103 -2.795,1104 11.676,1105 14.231,1106 5.329,1107 23.289,1108 11.365,1109 2.299,1110 9.224,1111 21.097,1112 3.921,1113 12.69,1114 15.47,1115 5.659,1116 25.492,1117 12.366,1118 2.099,1119 6.682,1120 22.915,1121 3.722,1122 13.81,1123 16.88,1124 6.319,1125 27.782,1126 13.456,1127 1.879,1128 5.912,1129 24.738,1130 2.886,1131 14.866,1132 18.168,1133 6.73,1134 30.016,1135 14.496,1136 1.618,1137 5.225,1138 26.566,1139 2.68,1140 15.969,1141 19.553,1142 7.333,1143 32.291,1144 15.574,1145 1.421,1146 4.369,1147 28.397,1148 2.414,1149 17.044,1150 20.868,1151 7.789,1152 34.541,1153 16.632,1154 4401,1155 8811,1156 15.315,1157 20.58,1158 34.612,1159 36.869,1160 35.078,1161 34.073,1162 34.128,1163 43.084,1164 10.74,1165 97.035,1166 32.697,1167 5.347,1168 5.88,1169 6.105,1170 5.147,1171 5.017,1172 6.921,1173 3.005,1174 16.605,1175 4.975,1176 9.688,1177 1.505,1178 1.603,1179 1.525,1180 1.481,1181 1.484,1182 1.873,1183 0.467,1184 4.219,1185 1.422,1186 3.962,1187 3.984,1188 3.92,1189 3.842,1190 7.464,1191 3.856,1192 3.812,1193 3.839,1194 3.789,1195 3.562,1196 7.413,1197 3.618,1198 3.472,1199 3.524,1200 3.356,1201 3.254,1202 7.412,1203 3.265,1204 3.204,1205 3.258,1206 3.155,1207 2.892,1208 4.966,1209 2.956,1210 3.064,1211 3.085,1212 3.031,1213 2.742,1214 4.634,1215 2.767,1216 2.933,1217 2.963,1218 2.844,1219 2.68,1220 4.246,1221 2.754,1222 2.819,1223 2.859,1224 2.715,1225 2.632,1226 4.202,1227 2.645,1228 2.526,1229 2.59,1230 2.392,1231 2.13,1232 3.922,1233 2.183,1234 0.189,1235 0.169,1236 0.279,1237 0.174,1238 0.131,1239 4.347,1240 0.17,1241 3.88,1242 0.073,1243 6.418,1244 0.425,1245 4.006,1246 0.129,1247 3.017,1248 3.921,1249 1.684,1250 9.771,1251 2.975,1252 1.89,1253 1.873,1254 1.982,1255 2.037,1256 1.105,1257 2.016,1258 1.651,1259 1.624,1260 1.712,1261 1.931,1262 0.918,1263 1.868,1264 1.417,1265 1.365,1266 1.666,1267 1.662,1268 0.604,1269 1.664,1270 1.036,1271 0.985,1272 1.189,1273 1.374,1274 0.202,1275 1.32,1276 0.869,1277 0.829,1278 1.086,1279 1.242,1280 0.088,1281 1.159,1282 0.828,1283 0.806,1284 0.98,1285 1.105,1286 0.055,1287 1.095,1288 0.739,1289 0.705,1290 0.906,1291 1.001,1293 0.962,1294 0.424,1295 0.333,1296 0.875,1297 0.819,1299 0.845,1300 3.85,1302 5.165,1304 6.681,1306 8.292,1308 9.948,1315 0.925,1317 6.401,1318 10.76,1326 21.24,1327 57.732,1328 116.561,1329 126.825,1330 133.58,1331 135.58,1332 137.58,1333 40.039,1334 6.786,1335 125.64,1336 125.64,1337 18,1338 12.136,1339 3.459,1340 3,1341 32.34,1342 71,1343 58,1344 0.228,1345 130.365,1346 237.65,1347 309.85,1348 7631,1350 14.82,1351 0.706,1352 0.506,1353 14.82,1354 10.635,1355 10.131,1356 0.44,1357 0.262,1358 5.86,1359 9.411,1360 5.838,1361 4.77,1362 10.131,1363 6.033,1364 9.256,1365 0.289,1366 0.13,1367 9.256,1368 4.168,1369 7.567,1370 0.185,1371 0.066,1372 7.567,1373 2.723,1374 6.506,1375 0.125,1376 0.034,1377 6.506,1378 1.794,1379 4.747,1380 0.077,1381 0.019,1382 4.747,1383 1.147,1384 0.357,1385 66.059,1386 0.256,1387 20.903,1388 0.621,1389 110,1390 469.321,1391 131.444,1392 430.563,1393 567.98,1394 400,1395 128,1396 404.777,1397 149.087,1398 396.923,1399 582.05,1400 373,1401 6.796}
{0 CHEMBL1424082,1 1.755,2 8.118,3 3.154,4 9.945,5 71.935,6 10.82,7 0.667,8 3.413,9 3.519,10 3.292,11 3.022,12 4.678,13 3.001,14 3.799,15 3.93,16 3.663,17 3.344,18 5.037,19 3.294,20 4.01,21 4.19,22 3.668,23 3.37,24 5.227,25 3.287,26 3.914,27 4.13,28 3.475,29 3.121,30 5.107,31 3.02,32 3.68,33 3.915,34 3.465,35 2.88,36 4.871,37 2.811,38 3.465,39 3.661,40 3.107,41 2.823,42 4.572,43 2.752,44 3.454,45 3.63,46 3.113,47 2.904,48 4.662,49 2.816,50 3.458,51 3.626,52 3.317,53 2.89,54 4.683,55 2.798,56 0.081,57 0.393,58 2.113,59 2.124,60 7.739,61 2.319,62 0.099,63 0.574,64 3.516,65 3.319,66 8.882,67 3.715,68 0.196,69 0.663,70 16.641,71 4.817,72 19.388,73 5.105,74 0.259,75 0.579,76 14.342,77 4.311,78 29.735,79 4.598,80 0.265,81 0.467,82 16.505,83 3.307,84 21.99,85 3.587,86 0.142,87 0.374,88 10.952,89 2.628,90 13.349,91 2.893,92 0.123,93 0.362,94 9.468,95 2.861,96 12.752,97 3.314,98 0.111,99 0.35,100 6.036,101 2.723,102 12.088,103 3.065,104 5,105 23,106 0.342,107 0.642,108 0.815,109 0.927,110 0.927,111 0.927,112 2.906,113 0.956,114 -4.19,115 -4.14,116 -3.91,118 1,120 44.4,143 6,144 1,145 2,146 1,148 1,156 1,170 1,174 4,177 3,180 1,182 3,185 5,188 1,189 3,194 4,197 4,201 2,204 1,206 2,214 4,218 1,219 2,222 1,227 1,232 2,235 2,240 1,243 1,245 1,247 3,252 2,257 1,260 4,269 1,271 3,274 304,275 11.483,276 11.483,277 11.483,278 11.483,279 11.483,280 9.72,281 8.894,282 7.08,283 11.815,284 8.894,285 8.894,286 8.894,287 8.894,288 8.894,289 6.413,290 5.475,291 3.394,292 9.5,293 3,294 1.463,295 0.574,299 3.564,306 1,307 1,308 288,309 2.236,313 116.712,320 1.183,321 12.949,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 36.25,333 138,334 4.251,335 3.08,336 6.064,337 3.82,338 2.857,339 3.913,341 8.737,342 2.741,343 3.901,344 2.675,345 5.339,346 3.462,347 2.517,348 3.449,350 6.964,351 2.376,352 3.468,353 2.601,354 4.918,355 2.956,356 2.101,357 2.791,359 5.669,360 1.694,361 3.111,362 1.982,363 4.253,364 2.619,365 1.658,366 2.275,368 4.044,369 1.564,370 2.893,371 1.537,372 3.669,373 2.449,374 1.47,375 2.05,377 3.192,378 1.434,379 2.549,380 1.205,381 3.322,382 1.975,383 1,384 1.5,386 2.236,387 0.972,388 2.5,389 1,390 3.247,391 1.955,392 1,393 1.46,395 2.136,396 0.952,397 1.487,398 0.698,399 2.727,400 1.17,401 0.253,402 0.3,404 0.561,405 0.211,406 1.215,407 0.195,408 2.367,409 0.728,410 -0.141,411 -0.18,413 -0.323,414 -0.103,415 0.73,416 -0.225,417 2.159,418 0.293,419 -0.641,420 -0.81,422 -1.522,423 -0.486,424 0.5,425 -0.678,426 1.611,427 -0.017,428 -1,429 -1.181,431 -2.237,432 -0.754,433 0.472,434 -0.913,435 1.555,436 -0.032,437 -1,438 -1.481,440 -2.347,441 -0.963,442 0.193,443 -1,444 1.321,445 -0.269,446 -1,447 -1.5,449 -2.631,450 -0.982,451 -0.24,452 -1.302,453 1.111,454 -0.598,455 -1.526,456 -1.975,458 -3.9,459 -1.356,460 -0.337,461 -1.484,462 1,463 -0.779,464 -1.604,465 -2.101,467 -4.452,468 -1.505,469 8.867,470 0.522,471 0.332,472 0.02,473 24.75,474 1.456,475 14.5,476 0.853,477 10.25,478 0.603,479 10.11,480 0.595,481 16.933,482 0.627,483 13.867,484 0.816,485 4.967,486 0.292,487 3.288,488 0.193,489 0.188,491 0.226,496 0.889,497 0.977,498 0.48,499 0.656,500 0.982,501 0.721,502 0.8,503 1.159,504 0.624,505 0.852,506 0.719,507 0.935,508 1.156,509 1.166,510 1.081,511 1.106,512 1.033,513 1.096,514 1.363,515 1.17,516 0.902,517 0.931,518 1.393,519 1.016,520 0.864,521 0.935,522 1.018,523 0.975,524 0.764,525 0.842,526 1.083,527 0.933,528 0.93,529 0.957,530 1.047,531 0.922,532 0.713,533 0.857,534 0.926,535 0.936,536 0.697,537 0.94,538 0.995,539 0.946,540 0.821,541 0.976,542 1.153,543 1.01,544 3,545 0.012,546 1.556,547 0.75,548 0.604,549 0.236,550 0.202,551 0.132,552 0.103,553 0.057,554 2542,555 8919,556 2.028,557 37,559 6,561 2,562 2,567 1.563,568 1.925,569 3.045,570 0.468,574 1,575 47.388,576 1.755,577 3.292,578 4.18,579 4.755,580 4.755,581 4.755,582 2.419,583 3.499,584 4.065,585 3.162,586 430.05,587 6.836,588 4060.8,589 1,590 1,592 1,593 128.382,594 1.261,595 4.03,596 0.167,597 0.006,598 0.068,599 0.036,600 0.04,601 0.018,602 0.017,603 0.01,604 0.009,605 0.008,606 0.378,607 0.83,608 1,609 0.604,610 71.922,611 -0.067,612 0.109,613 -0.008,614 0.072,615 -0.178,616 0.047,617 -0.047,618 -0.095,619 -0.006,620 -0.066,621 -0.04,622 -0.12,623 -0.145,624 -0.168,625 -0.104,626 -0.165,627 -0.051,628 -0.181,629 -0.139,630 -0.195,631 -0.027,632 -0.003,633 -0.127,634 -0.068,635 0.221,636 0.094,637 0.05,638 0.005,639 0.157,640 0.137,641 -0.125,642 0.064,643 -0.049,644 -0.036,645 -0.15,646 0.019,647 0.132,648 0.091,649 -0.054,650 0.003,651 0.184,652 0.022,653 -0.017,654 -0.029,655 0.056,656 -0.03,657 -0.026,658 -0.051,659 1.486,660 3.577,661 0.706,662 10.609,663 1.015,664 1.119,665 2.963,666 8.782,667 0.736,668 2.944,669 3.178,670 3.332,671 3.466,672 3.611,673 3.332,674 3.258,675 3.296,676 3.296,677 3.332,678 5.05,679 0.7,680 292.15,681 2.944,682 4.419,683 5.209,684 6.028,685 6.834,686 7.654,687 8.465,688 9.286,689 10.1,690 10.92,691 11.1,696 1,700 1,701 1,709 7,710 1,714 4,716 12,734 1,737 1,738 27,739 13,740 1,741 18,742 1,743 28,744 12,745 11,746 3,747 3,748 1,752 2,753 2,755 1,768 12,772 1,780 1,781 1,786 1,789 10,790 4,791 2,792 5,793 1,797 3,803 1,804 1,816 1,823 2,855 2,858 1,862 17,868 1,871 1,885 1,886 3.7,888 1,893 8.833,894 4.66,895 3.861,896 1.388,898 2.745,899 1.469,900 0.949,901 3.988,902 8.597,903 3.258,904 3.807,905 4.304,906 4.8,907 5.284,908 5.122,909 5.295,910 5.621,911 5.915,912 6.333,913 1,914 21,915 6.188,917 2.489,918 7.848,919 11.554,921 8.788,924 2.348,925 39.917,926 0.001,929 94.169,930 83.521,931 97.291,933 42.683,936 129.475,937 136.852,938 51.337,941 56.857,942 109.947,943 31.951,944 2.328,945 70.627,946 45.954,947 94.169,948 134.858,949 42.683,951 45.954,952 94.169,953 42.683,956 25.71,957 65.426,958 43.721,959 45.954,960 94.169,961 94.02,962 129.475,965 94.169,966 8.569,967 74.952,968 63.842,969 76.132,970 94.169,971 94.02,972 129.475,973 0.563,974 0.313,975 0.158,976 0.086,977 10,978 4,979 0.107,980 3,982 1,983 3.062,984 106.783,986 12,987 69.487,993 11.926,994 5.685,995 3.46,997 94.02,998 12.312,999 4.053,1003 2.343,1005 60.572,1006 317.664,1007 25,1015 1.536,1016 3.995,1020 27.396,1021 30.207,1022 0.369,1023 0.692,1024 0.879,1025 1,1026 1,1027 1,1028 4.419,1029 0.253,1030 5.142,1031 2.136,1032 3.85,1033 4.489,1035 5.82,1036 3.724,1037 5.6,1038 -0.141,1039 6.619,1040 0.561,1041 3.219,1042 4.007,1044 6.447,1045 2.916,1046 6.864,1047 -0.641,1048 8.194,1049 -0.323,1050 5.313,1051 6.607,1053 9.477,1054 5.089,1055 8.162,1056 -1,1057 9.828,1058 -1.522,1059 5.485,1060 6.921,1062 10.943,1063 5.116,1064 9.488,1065 -1,1066 11.499,1067 -2.237,1068 7.033,1069 8.97,1071 13.454,1072 6.723,1073 10.834,1074 -1,1075 13.197,1076 -2.347,1077 7.609,1078 9.701,1080 15.284,1081 7.195,1082 12.197,1083 -1.526,1084 14.915,1085 -2.631,1086 8.897,1087 11.463,1089 17.594,1090 8.51,1091 2.857,1092 -1.604,1093 16.647,1094 -3.9,1095 9.689,1096 12.438,1098 19.595,1099 9.223,1100 2.517,1101 8.737,1102 18.39,1103 -4.452,1104 10.847,1105 14.034,1107 21.823,1108 10.384,1109 2.101,1110 6.964,1111 20.143,1112 3.913,1113 11.754,1114 15.157,1116 23.905,1117 11.228,1118 1.658,1119 5.669,1120 21.903,1121 3.449,1122 12.848,1123 16.655,1125 26.098,1126 12.31,1127 1.47,1128 4.044,1129 23.669,1130 2.791,1131 13.818,1132 17.868,1134 28.221,1135 13.226,1136 1,1137 3.192,1138 25.44,1139 2.275,1140 14.882,1141 19.309,1143 30.398,1144 14.267,1145 1,1146 2.236,1147 27.215,1148 2.05,1149 15.885,1150 20.577,1152 32.542,1153 15.221,1154 2551,1155 4873,1156 12.019,1157 19.87,1158 26.099,1159 26.318,1160 26.19,1161 25.964,1162 25.713,1163 35.479,1165 67.077,1166 23.887,1167 4.945,1168 5.08,1169 5.866,1170 4.859,1171 4.857,1172 6.913,1174 14.923,1175 4.741,1176 6.847,1177 1.45,1178 1.462,1179 1.455,1180 1.442,1181 1.428,1182 1.971,1184 3.726,1185 1.327,1186 3.935,1187 3.965,1188 6.88,1189 3.88,1190 6.469,1191 3.867,1192 3.843,1193 3.88,1194 3.84,1195 3.731,1196 4.963,1197 3.738,1198 3.321,1199 3.401,1200 3.753,1201 3.129,1202 4.715,1203 3.134,1204 2.962,1205 2.98,1206 3.212,1207 2.864,1208 4.48,1209 2.825,1210 2.899,1211 2.957,1212 2.778,1213 2.767,1214 3.84,1215 2.759,1216 2.768,1217 2.853,1218 2.666,1219 2.559,1220 3.73,1221 2.569,1222 2.571,1223 2.647,1224 2.625,1225 2.326,1226 3.608,1227 2.343,1228 2.177,1229 2.285,1230 2.429,1231 1.857,1232 3.377,1233 1.768,1234 0.236,1235 0.171,1236 0.337,1237 0.212,1238 0.159,1239 4.251,1240 0.217,1241 3.08,1243 6.064,1244 0.485,1245 3.82,1246 0.152,1247 2.857,1248 3.913,1250 8.737,1251 2.741,1252 1.892,1253 1.875,1254 1.957,1255 1.997,1256 1.075,1257 1.99,1258 1.81,1259 1.769,1260 1.923,1261 1.934,1262 0.932,1263 1.938,1264 1.236,1265 1.169,1266 1.398,1267 1.497,1268 0.368,1269 1.475,1270 0.902,1271 0.853,1272 1.154,1273 1.096,1274 0.212,1275 1.114,1276 0.869,1277 0.838,1278 1.049,1279 1.085,1280 0.107,1281 1.078,1282 0.736,1283 0.653,1284 0.972,1285 0.99,1287 1.01,1288 0.505,1289 0.43,1290 0.809,1291 0.815,1293 0.825,1294 0.067,1296 0.585,1297 0.518,1299 0.55,1300 3.611,1302 4.86,1304 6.304,1306 7.836,1308 9.407,1309 3.328,1314 9.577,1317 2.772,1326 18.911,1327 47.388,1328 88.872,1329 112.872,1330 128.382,1331 128.382,1332 128.382,1333 21.357,1334 5.852,1335 57.51,1336 57.51,1337 12,1338 11.502,1339 3.807,1340 3,1341 28.647,1342 52,1343 42,1344 0.273,1345 126.893,1346 212.23,1347 301.379,1348 2276,1349 3.7,1350 12.088,1351 0.711,1352 0.613,1353 13.088,1354 10.424,1355 8.254,1356 0.459,1357 0.319,1358 4.927,1359 7.403,1360 4.783,1361 3.995,1362 8.831,1363 5.735,1364 7.091,1365 0.308,1366 0.183,1367 7.907,1368 4.204,1369 5.537,1370 0.205,1371 0.094,1372 6.061,1373 2.53,1374 4.197,1375 0.135,1376 0.052,1377 4.666,1378 1.604,1379 3.381,1380 0.094,1381 0.029,1382 3.994,1383 1.047,1384 0.431,1385 59.881,1386 0.288,1387 17.546,1388 0.731,1389 82,1390 264.427,1391 154.859,1392 298.201,1393 391.16,1394 276,1395 91,1396 258.328,1397 126.364,1398 275.407,1399 390.62,1400 258,1401 5.496}
{0 CHEMBL1424276,1 1.88,2 6.471,3 3.108,4 9.662,5 70.826,6 10.13,7 0.263,8 3.409,9 3.49,10 3.365,11 3.129,12 4.577,13 3.051,14 3.904,15 4.025,16 3.775,17 3.486,18 5.082,19 3.398,20 3.978,21 4.126,22 3.709,23 3.485,24 5.143,25 3.373,26 3.915,27 4.069,28 3.805,29 3.45,30 5.063,31 3.327,32 3.78,33 3.903,34 3.542,35 3.327,36 5.054,37 3.201,38 3.824,39 4.019,40 3.056,41 3.14,42 4.926,43 2.961,44 3.498,45 3.704,46 2.502,47 2.759,48 4.676,49 2.582,50 3.195,51 3.476,52 1.761,53 2.258,54 4.295,55 2.027,56 0.039,57 0.407,58 2.816,59 2.279,60 5.796,61 2.293,62 0.2,63 0.739,64 11.309,65 4.524,66 14.764,67 4.144,68 0.207,69 0.732,70 11.209,71 5.063,72 22.351,73 4.668,74 0.23,75 0.79,76 17.219,77 5.318,78 15.248,79 3.74,80 0.153,81 0.567,82 6.079,83 3.775,84 15.576,85 3.604,86 0.199,87 0.595,88 16.725,89 5.619,90 18.855,91 4.993,92 0.137,93 0.377,94 7.466,95 3.326,96 24.091,97 3.573,98 0.115,99 0.285,100 9.325,101 3.034,102 19.493,103 3.315,104 8,105 27,106 0.368,107 0.757,108 0.875,109 0.875,110 0.875,111 0.875,112 2.911,113 1.098,114 -3.86,115 -3.82,116 -3.63,120 42.3,126 2,135 1,136 1,143 1,144 1,152 1,154 1,159 2,160 1,174 2,176 3,177 6,185 3,188 1,189 3,197 1,200 1,201 6,209 2,213 1,214 4,222 1,227 2,235 2,240 2,247 3,252 1,260 1,274 254,275 11.732,276 11.732,277 11.732,278 11.732,279 11.732,280 10.523,281 13.608,282 7.049,283 12.319,284 9.385,285 9.385,286 9.385,287 9.385,288 9.385,289 7.369,290 15.944,291 3.321,292 10.378,293 2.821,294 0.831,295 0.231,296 0.231,297 0.231,298 0.231,299 3.586,306 1,307 1,308 239,309 2.449,312 52.95,313 31.354,316 96.42,319 65.066,320 1.031,321 15.554,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 36.5,333 110,334 4.573,335 4.554,336 6.855,337 4.194,338 3.269,339 4.145,340 3.835,341 11.456,342 3.03,343 3.905,344 3.731,345 6.003,346 3.505,347 2.581,348 3.269,349 1.997,350 8.468,351 2.4,352 3.717,353 3.25,354 5.442,355 3.208,356 2.314,357 2.979,358 1.182,359 6.992,360 2.047,361 3.188,362 2.838,363 4.831,364 2.758,365 1.809,366 2.286,367 0.744,368 5.26,369 1.672,370 2.831,371 2.525,372 4.056,373 2.402,374 1.488,375 1.787,376 0.416,377 3.224,378 1.342,379 2.586,380 1.688,381 3.806,382 2.077,383 1.168,384 1.601,385 0.07,386 2.761,387 1.047,388 2.301,389 1.377,390 3.423,391 1.754,392 0.875,393 1.157,395 2.075,396 0.752,397 2.136,398 1.046,399 3.31,400 1.537,401 0.653,402 0.898,404 1.775,405 0.567,406 1.695,407 0.962,408 2.657,409 1.039,410 0.177,411 0.245,413 0.303,414 0.15,415 0.908,416 0.648,417 2.475,418 0.448,419 -0.501,420 -0.627,422 -1.146,423 -0.444,424 0.621,425 0.508,426 2.195,427 0.225,428 -0.777,429 -1.046,431 -1.773,432 -0.774,433 0.33,434 -0.537,435 2,436 -0.005,437 -0.936,438 -1.115,440 -2.514,441 -0.855,442 0.064,443 -0.686,444 1.564,445 -0.259,446 -1.182,447 -1.504,449 -2.873,450 -1.079,451 -0.114,452 -0.828,453 1.395,454 -0.667,455 -1.591,456 -1.915,457 -0.536,458 -4.125,459 -1.318,460 -0.372,461 -1.116,462 1.234,463 -0.804,464 -1.67,465 -2,466 -0.602,467 -4.96,468 -1.466,469 8.7,470 0.512,471 0.38,472 0.022,473 21.5,474 1.265,475 10,476 0.588,477 11.5,478 0.676,479 12.811,480 0.754,481 17.1,482 0.658,483 11.917,484 0.701,485 3.854,486 0.227,487 4.438,488 0.261,489 0.096,491 0.333,496 0.694,497 1.174,498 0.669,499 0.784,500 0.591,501 0.774,502 0.607,503 1.118,504 1.008,505 1.086,506 0.548,507 0.859,508 1.06,509 1.129,510 0.941,511 0.898,512 1.085,513 0.876,514 1.164,515 1.028,516 1.168,517 1.03,518 0.735,519 0.778,520 0.923,521 0.969,522 0.862,523 0.978,524 0.965,525 1.101,526 1.163,527 0.969,528 1.443,529 1.367,530 1.176,531 1.28,532 1.258,533 0.895,534 0.889,535 0.929,536 1.649,537 1.298,538 0.986,539 0.742,540 0.989,541 0.956,542 0.961,543 1.117,544 3,546 1.778,547 1.16,548 1.121,549 0.497,550 0.268,551 0.141,552 0.031,554 2157,555 7275,556 2.127,557 34.6,559 8,560 1,567 1.577,568 2,569 2.701,570 -0.634,574 1,575 48.873,576 1.88,577 3.869,578 4.47,579 4.47,580 4.47,581 4.47,582 2.184,583 3.735,584 4.053,585 2.798,586 380.53,587 6.892,588 3335.6,589 1,590 1,592 1,593 122.211,594 1.379,595 4.023,596 0.158,598 0.066,599 0.046,600 0.047,601 0.026,602 0.022,603 0.02,604 0.01,606 0.396,607 0.67,608 1,609 1.325,610 68.325,611 -0.054,612 -0.197,613 0.05,614 0.015,615 -0.069,616 -0.003,617 0.233,618 -0.051,619 -0.027,620 -0.115,621 0.065,622 -0.003,623 -0.054,624 -0.13,625 -0.006,626 0.044,627 -0.109,628 0.027,629 -0.18,630 0.151,631 0.012,632 0.073,633 -0.061,634 0.118,635 0.064,636 -0.032,637 -0.008,638 -0.085,639 0.126,640 -0.228,641 -0.156,642 -0.047,643 -0.312,644 -0.279,645 -0.077,646 -0.205,647 -0.185,648 -0.135,649 -0.117,650 -0.096,651 -0.213,652 -0.25,653 -0.016,654 0.043,655 0.013,656 0.027,657 0.168,658 0.118,659 1.772,660 4.45,661 0.706,662 10.173,663 1.017,664 1.107,665 2.634,666 6.936,667 0.771,668 2.996,669 3.332,670 3.664,671 4.025,672 4.234,673 4.382,674 4.477,675 4.533,676 4.277,677 4.043,678 4.002,679 0.721,680 263.37,681 2.996,682 4.533,683 5.407,684 6.315,685 7.22,686 8.139,687 9.055,688 9.977,689 10.896,690 11.819,691 11.5,694 1,700 2,709 2,713 1,714 2,716 5,738 26,739 9,741 19,743 28,744 11,745 4,748 3,752 3,753 6,768 9,769 2,772 4,773 1,778 1,780 1,781 2,782 3,786 1,789 9,790 4,792 6,793 2,797 3,799 1,803 0.333,804 1,822 2,823 1,826 2,829 1,843 1,845 1,851 1,855 1,856 1,857 2,862 17,869 2,873 1,875 1,880 1,886 3.8,889 1,893 8.5,894 4.85,895 3.778,896 1.442,898 1.95,899 1.297,900 1.013,901 2.787,902 8.512,903 3.277,904 3.812,905 4.387,906 4.982,907 5.384,908 5.786,909 6.113,910 6.448,911 6.456,912 6.494,913 1,914 25,915 6.263,917 2.693,918 7.794,919 11.922,921 9.89,924 2.294,925 39,926 0.002,929 105.94,930 120.712,931 36.695,933 25.145,935 63.497,936 57.215,937 131.085,938 36.695,940 18.772,941 26.602,942 32.177,943 40.811,944 12.464,945 157.666,947 105.94,948 93.91,949 25.145,950 63.497,952 105.94,953 25.145,956 40.63,957 43.803,958 9.476,959 63.497,960 105.94,961 61.84,962 120.712,965 105.94,966 78.343,967 29.726,969 74.483,970 105.94,971 61.84,972 120.712,973 0.572,974 0.34,975 0.205,976 0.118,977 15,978 6,979 0.107,980 3,981 2,982 1.333,983 2.93,984 125.691,985 0.333,986 12,987 69.487,989 2,993 11.026,994 4.297,995 1.824,997 61.84,998 3.932,1002 1.567,1003 1.894,1006 288.492,1007 25.5,1008 3.691,1013 11.45,1015 1.825,1016 8.636,1017 1.475,1020 26.436,1021 28.79,1022 0.4,1023 0.823,1024 0.951,1025 0.951,1026 0.951,1027 0.951,1028 4.525,1029 0.653,1030 5.398,1031 2.075,1032 4.007,1033 4.494,1034 3.694,1035 6.263,1036 3.825,1037 5.723,1038 0.177,1039 6.98,1040 1.775,1041 3.611,1042 4.248,1043 2.457,1044 7.248,1045 3.398,1046 7.033,1047 -0.501,1048 8.667,1049 0.303,1050 5.631,1051 6.612,1052 6.06,1053 10.419,1054 5.29,1055 8.382,1056 -0.777,1057 10.417,1058 -1.146,1059 6.111,1060 7.255,1061 5.136,1062 12.266,1063 5.726,1064 9.768,1065 -0.936,1066 12.209,1067 -1.773,1068 7.585,1069 9.043,1070 8.665,1071 14.946,1072 7.101,1073 11.179,1074 -1.182,1075 14.028,1076 -2.514,1077 8.459,1078 10.097,1079 7.998,1080 17.138,1081 7.918,1082 12.611,1083 -1.591,1084 15.868,1085 -2.873,1086 9.733,1087 11.657,1088 11.31,1089 19.659,1090 9.108,1091 3.269,1092 -1.67,1093 17.723,1094 -4.125,1095 10.782,1096 12.906,1097 10.872,1098 21.992,1099 10.09,1100 2.581,1101 11.456,1102 19.59,1103 -4.96,1104 11.987,1105 14.376,1106 13.964,1107 24.458,1108 11.217,1109 2.314,1110 8.468,1111 21.467,1112 4.145,1113 13.11,1114 15.715,1115 13.719,1116 26.851,1117 12.269,1118 1.809,1119 6.992,1120 23.35,1121 3.269,1122 14.294,1123 17.151,1124 16.621,1125 29.299,1126 13.377,1127 1.488,1128 5.26,1129 25.241,1130 2.979,1131 15.45,1132 18.533,1133 16.537,1134 31.717,1135 14.458,1136 1.168,1137 3.224,1138 27.136,1139 2.286,1140 16.629,1141 19.957,1142 19.281,1143 34.158,1144 15.562,1145 0.875,1146 2.761,1147 29.036,1148 1.787,1149 17.799,1150 21.359,1151 19.334,1152 36.587,1153 16.657,1154 2165,1155 4076,1156 12.83,1157 20.051,1158 29.704,1159 31.189,1160 29.977,1161 28.558,1162 28.668,1163 36.732,1164 16.49,1165 84.631,1166 26.011,1167 5.481,1168 6.453,1169 6.716,1170 5.327,1171 5.269,1172 6.918,1173 7.527,1174 18.994,1175 4.925,1176 6.927,1177 1.563,1178 1.642,1179 1.578,1180 1.503,1181 1.509,1182 1.933,1183 0.868,1184 4.454,1185 1.369,1186 4.006,1187 4.032,1188 4.271,1189 3.969,1190 7.431,1191 3.921,1192 3.608,1193 3.632,1194 3.889,1195 3.561,1196 4.887,1197 3.498,1198 3.563,1199 3.61,1200 3.643,1201 3.436,1202 4.699,1203 3.428,1204 3.136,1205 3.175,1206 3.194,1207 3.027,1208 4.323,1209 2.989,1210 2.709,1211 2.79,1212 2.842,1213 2.602,1214 4.227,1215 2.557,1216 2.656,1217 2.74,1218 2.674,1219 2.501,1220 3.427,1221 2.446,1222 2.466,1223 2.485,1224 2.371,1225 2.216,1226 3.333,1227 2.203,1228 2.123,1229 2.185,1230 2.215,1231 1.951,1232 2.92,1233 1.932,1234 0.241,1235 0.24,1236 0.361,1237 0.221,1238 0.172,1239 4.573,1240 0.218,1241 4.554,1242 0.202,1243 6.855,1244 0.603,1245 4.194,1246 0.159,1247 3.269,1248 4.145,1249 3.835,1250 11.456,1251 3.03,1252 1.699,1253 1.671,1254 1.793,1255 1.835,1256 0.966,1257 1.829,1258 1.561,1259 1.517,1260 1.709,1261 1.695,1262 0.847,1263 1.724,1264 1.419,1265 1.387,1266 1.582,1267 1.648,1268 0.736,1269 1.623,1270 1.331,1271 1.32,1272 1.319,1273 1.403,1274 0.555,1275 1.46,1276 0.886,1277 0.869,1278 1.146,1279 1.052,1280 0.16,1281 1.115,1282 0.802,1283 0.74,1284 0.812,1285 1.008,1287 1.013,1288 0.506,1289 0.422,1290 0.612,1291 0.701,1293 0.733,1296 0.432,1297 0.348,1299 0.298,1300 3.664,1302 4.99,1303 3.045,1304 6.515,1305 5.352,1306 8.149,1307 7.424,1308 9.85,1315 1.075,1319 1.574,1321 1.881,1326 18.734,1327 48.873,1328 100.602,1329 116.211,1330 116.211,1331 116.211,1332 116.211,1333 20.57,1334 6.562,1335 47.25,1336 100.79,1337 16,1338 12.326,1339 3.322,1340 2.907,1341 23.546,1342 42,1343 48,1344 0.308,1345 123.183,1346 213.85,1347 292.326,1348 4936,1350 11.828,1351 0.696,1352 0.621,1353 12.535,1354 10.553,1355 8.292,1356 0.436,1357 0.366,1358 5.181,1359 7.076,1360 4.895,1361 4.029,1362 9.2,1363 6.952,1364 7.397,1365 0.274,1366 0.201,1367 8.564,1368 5.431,1369 6.306,1370 0.166,1371 0.111,1372 7.629,1373 4.203,1374 5.693,1375 0.104,1376 0.06,1377 7.091,1378 3.283,1379 4.544,1380 0.067,1381 0.033,1382 5.857,1383 2.222,1384 0.45,1385 60.766,1386 0.279,1387 16.62,1388 0.948,1389 92,1390 290.392,1391 147.414,1392 321.801,1393 440.13,1394 302,1395 111,1396 296.248,1397 157.484,1398 324.887,1399 484.78,1400 305,1401 4.734}
{0 CHEMBL1424968,1 1.614,2 13.7,3 4.376,4 19.152,5 116.814,6 7.888,7 0.485,8 4.088,9 4.199,10 3.705,11 3.639,12 5.168,13 3.618,14 4.642,15 4.811,16 4.088,17 4.031,18 5.703,19 3.991,20 4.916,21 5.123,22 4.179,23 4.166,24 5.987,25 4.096,26 4.928,27 5.129,28 4.13,29 4.15,30 6.023,31 4.062,32 4.909,33 5.127,34 3.988,35 4.089,36 5.981,37 3.969,38 4.808,39 5.044,40 3.924,41 3.952,42 5.863,43 3.843,44 4.662,45 4.921,46 3.791,47 3.824,48 5.62,49 3.717,50 4.49,51 4.705,52 3.844,53 3.787,54 5.613,55 3.698,56 0.037,57 0.767,58 10.283,59 4.896,60 6.366,61 6.257,62 0.255,63 1.262,64 21.026,65 8.146,66 21.505,67 10.826,68 0.597,69 1.523,70 32.683,71 10.825,72 54.988,73 14.363,74 0.457,75 1.465,76 33.739,77 11.578,78 62.756,79 14.86,80 0.559,81 1.37,82 38.769,83 12.039,84 75.888,85 15.477,86 0.511,87 1.269,88 35.088,89 10.336,90 62.925,91 13.846,92 0.452,93 1.137,94 27.631,95 8.723,96 41.933,97 12.134,98 0.367,99 0.958,100 23.455,101 7.763,102 41.249,103 10.245,104 20,105 46,106 0.266,107 0.581,108 0.739,109 0.824,110 0.861,111 0.861,112 3.44,113 0.959,114 -4.11,115 -4.06,116 -3.84,120 42.6,121 1,122 2,126 4,143 8,144 1,145 3,153 2,159 2,174 8,176 1,177 6,180 1,182 2,185 8,188 2,189 8,192 1,194 2,197 6,201 6,206 2,209 2,213 1,214 7,217 1,219 2,222 2,227 8,232 2,235 3,239 1,240 3,247 7,251 1,252 4,255 1,260 11,264 1,271 8,274 1454,275 20.386,276 20.386,277 20.386,278 20.386,279 20.386,280 18.275,281 21.722,282 12.039,283 20.727,284 16.247,285 16.247,286 16.247,287 16.247,288 16.247,289 12.933,290 29.452,291 5.632,292 16.819,293 4.141,294 2.233,295 1.273,296 0.755,297 0.532,298 0.532,299 4.136,303 1,306 1,307 1,308 893,309 3.606,312 74.811,313 311.482,316 145.224,320 2.453,321 31.27,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 64.833,333 411,334 4.499,335 3.718,336 6.465,337 4.053,338 3.063,339 4.425,340 1.94,341 10.007,342 3.051,343 4.326,344 3.585,345 6.342,346 3.961,347 3.018,348 3.94,349 1.058,350 9.76,351 2.813,352 3.959,353 3.328,354 6.016,355 3.727,356 2.767,357 3.295,358 0.8,359 8.534,360 2.651,361 3.899,362 2.889,363 5.839,364 3.555,365 2.569,366 3.107,367 0.555,368 8.019,369 2.527,370 3.581,371 2.691,372 5.372,373 3.243,374 2.268,375 2.885,377 6.883,378 2.203,379 3.131,380 2.331,381 4.917,382 2.827,383 1.894,384 2.298,386 5.389,387 1.748,388 3.032,389 2.175,390 4.414,391 2.532,392 1.548,393 2.248,395 4.312,396 1.532,397 2.975,398 1.78,399 4.235,400 2.502,401 1.532,402 2.163,404 3.887,405 1.488,406 2.789,407 1.532,408 4.017,409 2.457,410 1.472,411 1.851,413 3.355,414 1.374,415 2.571,416 1.405,417 3.92,418 2.199,419 1.233,420 1.537,422 3.095,423 1.166,424 2.45,425 1.353,426 3.58,427 2.04,428 1.027,429 1.411,431 2.663,432 1.033,433 2.046,434 1.309,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3,445 1.838,446 0.818,447 0.925,449 1.372,450 0.826,451 1.847,452 0.58,453 2.977,454 1.347,455 0.347,456 0.521,458 0.86,459 0.347,460 1.367,461 0.376,462 2.819,463 1.023,464 0.074,465 0.089,467 0.181,468 0.065,469 14.414,470 0.48,471 0.712,472 0.024,473 37.75,474 1.258,475 18,476 0.6,477 19.75,478 0.658,479 26.141,480 0.871,481 32.386,482 0.6,483 28.267,484 0.942,485 7.354,486 0.245,487 7.192,488 0.24,489 0.13,491 0.333,496 0.704,497 1.388,498 0.644,499 1.051,500 0.528,501 0.946,502 0.775,503 1.19,504 0.722,505 0.96,506 0.527,507 0.922,508 0.989,509 0.92,510 0.892,511 0.882,512 0.89,513 0.901,514 1.238,515 1.1,516 1.02,517 1.051,518 1.357,519 1.051,520 1.261,521 0.96,522 1.377,523 1.085,524 1.459,525 1.068,526 1.018,527 1.018,528 1.157,529 1.055,530 0.921,531 0.989,532 0.758,533 0.793,534 0.733,535 0.734,536 0.665,537 0.761,538 0.767,539 0.775,540 0.948,541 0.859,542 0.836,543 0.841,544 6,545 0.16,546 3.778,547 2.229,548 1.663,549 0.826,550 0.767,551 0.405,552 0.305,553 0.213,554 13332,555 35591,556 2.087,557 44.4,558 5,559 16,562 1,563 2,567 1.722,568 1.957,569 3.716,570 -0.349,572 1,575 87.173,576 1.614,577 3.521,578 4.482,579 5,580 5.222,581 5.222,582 3.289,583 4.19,584 4.874,585 3.908,586 1699.88,587 8.472,588 24585.4,590 1,592 1,593 310.764,594 1.4,595 4.839,596 0.182,597 0.007,598 0.082,599 0.047,600 0.04,601 0.023,602 0.023,603 0.014,604 0.01,605 0.008,606 0.435,607 0.33,608 1,609 1.042,610 157.286,611 -0.03,612 -0.203,613 0.035,614 -0.068,615 -0.021,616 -0.009,617 0.047,618 -0.054,619 0.054,620 -0.016,621 0.067,622 0.009,623 0.041,624 0.128,625 0.03,626 0.065,627 0.022,628 0.044,629 -0.123,630 -0.117,631 -0.039,632 -0.071,633 -0.1,634 -0.087,635 -0.117,636 -0.03,637 -0.149,638 -0.062,639 -0.133,640 -0.072,641 0.009,642 -0.065,643 0.007,644 -0.061,645 0.044,646 0.003,647 0.097,648 0.187,649 0.219,650 0.22,651 0.07,652 0.231,653 0.143,654 0.225,655 0.171,656 0.151,657 0.111,658 0.155,659 1.988,660 5.539,661 0.7,662 35.093,663 1.006,664 1.123,665 2.883,666 8.314,667 0.678,668 3.526,669 3.85,670 4.127,671 4.369,672 4.564,673 4.635,674 4.754,675 4.868,676 4.844,677 4.949,678 7.893,679 0.645,680 425.95,681 3.526,682 5.069,683 5.922,684 6.797,685 7.664,686 8.543,687 9.416,688 10.297,689 11.173,690 12.055,691 5.6,697 1,698 2,708 2,709 8,712 1,714 4,716 16,723 1,732 1,737 1,738 54,739 18,740 2,741 33,743 57,744 23,745 14,746 5,747 7,748 1,752 4,753 5,754 1,759 1,766 2,768 16,769 7,772 2,778 2,782 2,786 1,788 1,789 24,790 6,791 1,792 7,793 1,797 3,803 0.75,804 3,822 1,823 3,826 1,839 1,855 3,859 1,860 1,862 30,869 6,871 1,875 2,885 1,886 5.6,889 2,891 1,893 15.333,894 9.96,895 6.639,896 3.501,898 3.121,899 1.401,900 0.992,901 6.421,902 10.909,903 3.784,904 4.366,905 4.935,906 5.492,907 5.981,908 6.253,909 6.562,910 6.949,911 6.976,912 7.309,913 1,914 47,915 11.141,917 4.774,918 7.781,919 21.29,921 17.572,924 2.281,925 68.444,928 1,929 270.735,930 129.408,931 24.259,932 39.149,933 59.797,936 129.408,937 369.681,938 24.259,939 8.825,940 34.627,941 75.81,942 59.699,943 24.219,944 10.285,945 270.735,946 39.149,947 270.735,948 153.668,949 59.797,950 39.149,952 270.735,953 59.797,956 43.452,957 110.216,958 39.149,960 270.735,961 84.057,962 168.557,965 270.735,966 44.773,967 90.884,968 18.011,969 98.946,970 270.735,971 84.057,972 168.557,973 0.579,974 0.344,975 0.184,976 0.096,977 22,978 10,979 0.088,980 5,981 1,982 1.095,983 4.239,984 260.833,985 0.095,986 21,987 141.207,993 20.916,994 9.21,995 4.72,996 1.556,997 84.057,998 14.69,1001 5.612,1003 2.321,1005 18.011,1006 523.349,1007 43,1013 24.602,1017 -0.107,1020 54.331,1021 60.634,1022 0.281,1023 0.612,1024 0.779,1025 0.869,1026 0.907,1027 0.907,1028 5.024,1029 1.532,1030 5.905,1031 4.312,1032 4.533,1033 5.053,1034 2.388,1035 6.711,1036 4.467,1037 6.221,1038 1.472,1039 7.463,1040 3.887,1041 4.111,1042 4.879,1043 1.738,1044 7.582,1045 3.987,1046 7.525,1047 1.233,1048 9.119,1049 3.355,1050 6.125,1051 7.238,1052 3.11,1053 10.666,1054 5.995,1055 8.864,1056 1.027,1057 10.832,1058 3.095,1059 6.524,1060 7.908,1061 3.144,1062 12.346,1063 6.344,1064 10.236,1065 1,1066 12.58,1067 2.663,1068 7.997,1069 9.751,1070 4.18,1071 14.923,1072 7.807,1073 11.63,1074 0.818,1075 14.351,1076 2.275,1077 8.768,1078 10.821,1079 4.541,1080 16.934,1081 8.536,1082 13.042,1083 0.347,1084 16.139,1085 1.372,1086 10.021,1087 12.452,1088 5.397,1089 19.328,1090 9.772,1091 3.063,1092 0.074,1093 17.938,1094 0.86,1095 10.965,1096 13.722,1097 5.912,1098 21.485,1099 10.683,1100 3.018,1101 10.007,1102 19.747,1103 0.181,1104 12.125,1105 15.26,1106 6.674,1107 23.808,1108 11.823,1109 2.767,1110 9.76,1111 21.562,1112 4.425,1113 13.151,1114 16.63,1115 7.263,1116 26.032,1117 12.822,1118 2.569,1119 8.534,1120 23.383,1121 3.94,1122 14.272,1123 18.128,1124 7.977,1125 28.329,1126 13.924,1127 2.268,1128 8.019,1129 25.208,1130 3.295,1131 15.337,1132 19.55,1133 8.602,1134 30.584,1135 14.967,1136 1.894,1137 6.883,1138 27.037,1139 3.107,1140 16.445,1141 21.032,1142 9.292,1143 32.873,1144 16.056,1145 1.548,1146 5.389,1147 28.868,1148 2.885,1149 17.528,1150 22.48,1151 9.936,1152 35.144,1153 17.122,1154 12644,1155 20859,1156 22.076,1157 36.614,1158 49.855,1159 51.161,1160 51.018,1161 49.453,1162 49.261,1163 63.39,1164 8.708,1165 141.189,1166 47.581,1167 5.499,1168 5.718,1169 6.235,1170 5.12,1171 5.063,1172 7.425,1173 3.348,1174 16.774,1175 5.051,1176 14.654,1177 1.511,1178 1.55,1179 1.546,1180 1.499,1181 1.493,1182 1.921,1183 0.264,1184 4.278,1185 1.442,1186 4.106,1187 4.114,1188 4.086,1189 4.005,1190 7.431,1191 4.018,1192 3.965,1193 4.004,1194 4.014,1195 3.87,1196 7.426,1197 3.872,1198 3.793,1199 3.84,1200 3.727,1201 3.621,1202 5.111,1203 3.632,1204 3.594,1205 3.664,1206 3.497,1207 3.431,1208 4.928,1209 3.423,1210 3.485,1211 3.509,1212 3.428,1213 3.336,1214 4.393,1215 3.349,1216 3.203,1217 3.265,1218 3.283,1219 2.974,1220 4.362,1221 2.994,1222 3.111,1223 3.206,1224 3.068,1225 2.941,1226 4.276,1227 2.91,1228 3.09,1229 3.136,1230 2.959,1231 2.87,1232 4.081,1233 2.885,1234 0.136,1235 0.113,1236 0.196,1237 0.123,1238 0.093,1239 4.499,1240 0.134,1241 3.718,1242 0.059,1243 6.465,1244 0.303,1245 4.053,1246 0.092,1247 3.063,1248 4.425,1249 1.94,1250 10.007,1251 3.051,1252 1.921,1253 1.897,1254 2.027,1255 2.063,1256 1.307,1257 2.058,1258 1.912,1259 1.887,1260 2.015,1261 1.992,1262 1.164,1263 1.999,1264 1.747,1265 1.693,1266 1.937,1267 1.931,1268 1.118,1269 1.93,1270 1.599,1271 1.536,1272 1.852,1273 1.801,1274 1.038,1275 1.824,1276 1.491,1277 1.48,1278 1.574,1279 1.691,1280 0.825,1281 1.655,1282 1.153,1283 1.066,1284 1.513,1285 1.409,1286 0.609,1287 1.429,1288 1.13,1289 1.064,1290 1.425,1291 1.376,1292 0.55,1293 1.408,1294 1.008,1295 0.961,1296 1.216,1297 1.241,1298 0.361,1299 1.236,1300 4.205,1302 5.525,1303 2.398,1304 7.04,1305 4.727,1306 8.638,1307 6.843,1308 10.278,1310 2.016,1311 6.508,1315 4.325,1317 2.838,1321 4.082,1326 34.831,1327 87.173,1328 190.161,1329 242.009,1330 270.009,1331 282.009,1332 282.009,1333 56.868,1334 7.787,1335 65.79,1336 65.79,1337 23,1338 12.591,1339 4.248,1340 3.459,1341 47.418,1342 145,1343 150,1344 0.161,1345 216.179,1346 375.14,1347 519.236,1348 27998,1349 1.9,1350 21.087,1351 0.703,1352 0.587,1353 21.587,1354 17.615,1355 14.546,1356 0.441,1357 0.32,1358 10.071,1359 13.742,1360 9.829,1361 8.115,1362 14.835,1363 10.549,1364 13.01,1365 0.283,1366 0.169,1367 13.381,1368 7.794,1369 11.102,1370 0.182,1371 0.092,1372 11.434,1373 5.595,1374 9.241,1375 0.118,1376 0.051,1377 9.627,1378 3.996,1379 7.118,1380 0.075,1381 0.028,1382 7.369,1383 2.651,1384 0.261,1385 93.981,1386 0.213,1387 28.933,1388 0.421,1389 158,1390 471.033,1391 189.039,1392 479.908,1393 645.08,1394 448,1395 186,1396 453.296,1397 214.554,1398 463.266,1399 682.08,1400 438,1401 5.124}
{0 CHEMBL1425350,1 1.903,2 12.185,3 2.417,4 5.839,5 101.532,6 8.829,7 0.533,8 3.93,9 4.04,10 3.678,11 3.457,12 5.106,13 3.452,14 4.468,15 4.62,16 4.043,17 3.83,18 5.64,19 3.806,20 4.672,21 4.877,22 4.075,23 3.861,24 5.831,25 3.811,26 4.567,27 4.787,28 3.963,29 3.769,30 5.68,31 3.714,32 4.488,33 4.709,34 3.834,35 3.702,36 5.684,37 3.649,38 4.413,39 4.598,40 3.9,41 3.655,42 5.717,43 3.616,44 4.327,45 4.505,46 3.797,47 3.582,48 5.716,49 3.491,50 4.174,51 4.386,52 3.456,53 3.428,54 5.234,55 3.33,56 0.161,57 0.799,58 7.076,59 3.966,60 12.596,61 4.341,62 0.434,63 1.247,64 17.663,65 6.849,66 32.063,67 7.598,68 0.749,69 1.38,70 25.63,71 8.097,72 66.952,73 9.387,74 0.58,75 1.259,76 24.947,77 7.12,78 55.666,79 8.726,80 0.626,81 1.098,82 21.559,83 6.523,84 55.415,85 8.177,86 0.551,87 1.077,88 18.947,89 6.184,90 54.002,91 6.744,92 0.635,93 1.043,94 20.415,95 6.663,96 68.28,97 6.848,98 0.338,99 0.862,100 20.021,101 6.07,102 26.659,103 6.8,104 5,105 41,106 0.328,107 0.699,108 0.838,109 0.87,110 0.87,111 0.87,112 3.34,113 0.953,114 -3.81,115 -3.77,116 -3.58,120 38.6,122 2,126 3,128 1,143 4,145 2,147 1,148 1,149 1,159 1,162 1,167 2,174 3,176 3,177 5,180 1,185 2,188 3,189 6,192 1,194 2,197 2,200 2,201 9,206 1,213 2,214 5,217 1,226 1,227 4,230 1,235 3,239 3,240 2,243 3,247 3,251 1,252 1,263 1,264 4,269 2,274 1193,275 18.568,276 18.568,277 18.568,278 18.568,279 18.568,280 16.551,281 18.924,282 11.09,283 19.201,284 14.819,285 14.819,286 14.819,287 14.819,288 14.819,289 11.741,290 16.01,291 5.285,292 15.872,293 3.556,294 1.401,295 0.591,296 0.409,297 0.409,298 0.409,299 4.038,305 1,306 1,307 1,308 720,309 3.24,312 140.295,313 155.407,316 112.561,320 2.058,321 34.369,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60.5,333 329,334 4.654,335 4.48,336 6.815,337 4.156,338 3.215,339 4.613,340 3.359,341 11.272,342 3.022,343 4.078,344 3.589,345 6.076,346 3.633,347 2.694,348 3.692,349 1.737,350 8.745,351 2.532,352 3.735,353 3.197,354 5.375,355 3.514,356 2.571,357 3.151,358 0.86,359 7.055,360 2.422,361 3.656,362 2.912,363 5.251,364 3.298,365 2.356,366 2.837,367 0.146,368 6.439,369 2.225,370 3.472,371 2.881,372 5.003,373 3.199,374 2.241,375 2.524,377 5.977,378 2.098,379 3.234,380 2.648,381 4.914,382 2.759,383 1.847,384 2.478,386 5.501,387 1.662,388 3.047,389 2.188,390 4.22,391 2.467,392 1.547,393 2.32,395 3.718,396 1.421,397 2.564,398 1.632,399 4.03,400 2.256,401 1.3,402 1.594,404 3.142,405 1.236,406 2.5,407 1.548,408 3.527,409 2.055,410 1.092,411 1.5,413 2.777,414 1.045,415 2.339,416 1.279,417 3.414,418 2,419 1,420 1.325,422 2.275,423 1,424 2.275,425 1.039,426 3.377,427 1.817,428 0.938,429 1.208,431 2.177,432 0.809,433 1.763,434 1.024,435 3.101,436 1.518,437 0.618,438 0.661,440 1.375,441 0.549,442 1.618,443 1,444 3,445 1.483,446 0.582,447 0.618,449 1.372,450 0.518,451 1.508,452 0.963,453 2.704,454 1.176,455 0.253,456 0.297,458 0.563,459 0.227,460 1.14,461 0.475,462 2.468,463 0.709,464 -0.194,465 -0.245,467 -0.434,468 -0.169,469 12.686,470 0.47,471 0.554,472 0.021,473 34.25,474 1.269,475 16,476 0.593,477 18.25,478 0.676,479 21.427,480 0.794,481 29.314,482 0.666,483 24.247,484 0.898,485 6.6,486 0.244,487 6.604,488 0.245,489 0.049,491 0.307,494 1,496 0.657,497 1.128,498 0.657,499 0.993,500 0.52,501 0.909,502 0.855,503 1.122,504 0.973,505 1.143,506 0.605,507 1.009,508 1.123,509 1.025,510 0.916,511 0.932,512 1.023,513 0.923,514 0.944,515 1.067,516 1.013,517 1.034,518 0.917,519 0.905,520 0.692,521 0.725,522 0.921,523 0.826,524 0.703,525 0.826,526 1.067,527 0.923,528 1.04,529 1.006,530 1.13,531 0.942,532 0.959,533 0.863,534 1.513,535 1.27,536 1.355,537 1.12,538 0.788,539 1.12,540 1.558,541 1.467,542 0.661,543 1.119,544 4.5,545 0.081,546 3.111,547 1.257,548 1.171,549 0.743,550 0.46,551 0.33,552 0.226,553 0.146,554 10012,555 31430,556 2.142,557 38.6,559 11,561 1,562 1,564 4,567 1.697,568 2.051,569 3.555,570 -0.199,571 1,572 1,575 83.731,576 1.903,577 4.058,578 4.869,579 5.05,580 5.05,581 5.05,582 3.106,583 4.236,584 4.722,585 3.741,586 1313.24,587 8.179,588 17355.6,590 1,592 1,593 240.215,594 1.218,595 4.706,596 0.15,597 0.004,598 0.076,599 0.033,600 0.033,601 0.023,602 0.014,603 0.012,604 0.01,605 0.006,606 0.362,607 0.33,608 1,609 0.454,610 135.936,612 -0.067,613 0.064,614 -0.022,615 0.002,616 -0.009,617 -0.021,618 -0.129,619 -0.034,620 -0.111,621 0.025,622 -0.074,623 -0.09,624 -0.084,625 0.098,626 0.058,627 -0.059,628 0.05,629 -0.086,630 -0.124,631 0.078,632 0.001,633 -0.07,634 0.087,635 0.097,636 0.119,637 0.06,638 0.125,639 0.066,640 0.149,641 -0.07,642 0.018,643 0.01,644 0.018,645 -0.031,646 -0.005,647 0.141,648 0.186,649 -0.181,650 -0.032,651 0.041,652 -0.146,653 -0.025,654 -0.15,655 -0.23,656 -0.212,657 0.007,658 -0.053,659 1.997,660 5.124,661 0.741,662 29.007,663 1.026,664 1.14,665 2.58,666 6.655,667 0.684,668 3.434,669 3.738,670 4.007,671 4.263,672 4.431,673 4.522,674 4.644,675 4.762,676 4.796,677 4.828,678 7.089,679 0.666,680 388.47,681 3.434,682 4.963,683 5.808,684 6.676,685 7.541,686 8.416,687 9.292,688 10.174,689 11.056,690 11.943,691 13.6,698 1,699 1,701 4,708 2,709 5,710 4,714 3,715 1,716 16,737 1,738 44,739 17,740 1,741 30,743 47,744 17,745 10,746 2,747 4,752 4,753 5,763 3,766 3,768 11,769 6,772 1,778 1,782 1,786 1,787 1,789 17,790 8,791 1,792 10,793 1,797 6,803 0.75,804 2,810 1,817 1,822 2,823 2,826 1,838 1,854 1,855 3,856 1,857 1,861 1,862 27,869 5,871 1,872 1,873 1,874 1,883 1,885 1,886 4.5,889 1,890 1,893 13.167,894 7.893,895 5.944,896 2.631,898 3.269,899 1.434,900 0.992,901 5.508,902 10.795,903 3.689,904 4.273,905 4.868,906 5.479,907 6.013,908 6.384,909 6.841,910 7.287,911 7.543,912 7.841,913 1,914 38,915 9.99,917 4.315,918 7.932,919 18.785,921 15.413,924 2.432,925 65.667,928 1,929 188.338,930 112.974,931 86.562,933 36.145,934 14.96,935 32.22,936 80.754,937 224.482,938 101.522,940 30.678,941 37.905,942 121.11,943 24.417,944 16.082,945 208.786,947 188.338,948 167.316,949 51.105,950 32.22,952 156.213,953 72.229,954 11,956 44.932,957 55.609,958 66.775,959 32.22,960 203.298,961 122.707,962 112.974,965 188.338,966 66.45,967 48.3,968 18.011,969 117.879,970 188.338,971 137.667,972 112.974,973 0.576,974 0.333,975 0.178,976 0.093,977 20,978 8,979 0.128,980 6,981 1,982 1.1,983 4.056,984 225.699,985 0.1,986 20,987 122.382,989 1,993 18.145,994 8.197,995 4.202,996 0.998,997 135.89,998 7.28,999 16.637,1003 0.881,1004 1.512,1005 18.011,1006 438.978,1007 39,1013 12.06,1017 -0.09,1020 45.156,1021 50.16,1022 0.349,1023 0.743,1024 0.892,1025 0.925,1026 0.925,1027 0.925,1028 4.913,1029 1.3,1030 5.771,1031 3.718,1032 4.419,1033 4.959,1034 3.399,1035 6.555,1036 4.288,1037 6.098,1038 1.092,1039 7.309,1040 3.142,1041 3.892,1042 4.732,1043 1.593,1044 7.424,1045 3.708,1046 7.394,1047 1,1048 8.948,1049 2.777,1050 5.979,1051 7.167,1052 5.576,1053 10.534,1054 5.726,1055 8.731,1056 0.938,1057 10.652,1058 2.275,1059 6.33,1060 7.858,1061 3.522,1062 12.316,1063 6.015,1064 10.105,1065 0.618,1066 12.401,1067 2.177,1068 7.832,1069 9.741,1070 7.946,1071 14.946,1072 7.461,1073 11.506,1074 0.582,1075 14.181,1076 1.375,1077 8.592,1078 10.871,1079 5.91,1080 17.1,1081 8.154,1082 12.929,1083 0.253,1084 15.987,1085 1.372,1086 9.866,1087 12.537,1088 10.351,1089 19.585,1090 9.374,1091 3.215,1092 -0.194,1093 17.812,1094 0.563,1095 10.828,1096 13.88,1097 8.482,1098 21.893,1099 10.267,1100 2.694,1101 11.272,1102 19.652,1103 -0.434,1104 12.014,1105 15.457,1106 12.763,1107 24.331,1108 11.399,1109 2.571,1110 8.745,1111 21.505,1112 4.613,1113 13.075,1114 16.899,1115 11.074,1116 26.702,1117 12.392,1118 2.356,1119 7.055,1120 23.369,1121 3.692,1122 14.232,1123 18.442,1124 15.176,1125 29.127,1126 13.493,1127 2.241,1128 6.439,1129 25.241,1130 3.151,1131 15.342,1132 19.93,1133 13.65,1134 31.525,1135 14.537,1136 1.847,1137 5.977,1138 27.121,1139 2.837,1140 16.494,1141 21.461,1142 17.59,1143 33.945,1144 15.629,1145 1.547,1146 5.501,1147 29.007,1148 2.524,1149 17.629,1150 22.969,1151 16.206,1152 36.356,1153 16.699,1154 9393,1155 16851,1156 20.572,1157 30.097,1158 44.487,1159 48.3,1160 45.142,1161 44.528,1162 44.507,1163 57.636,1164 12.207,1165 124.78,1166 41.532,1167 5.63,1168 6.48,1169 6.446,1170 5.295,1171 5.215,1172 7.613,1173 6.685,1174 18.65,1175 5.022,1176 9.692,1177 1.483,1178 1.61,1179 1.505,1180 1.484,1181 1.484,1182 1.921,1183 0.407,1184 4.159,1185 1.384,1186 4.093,1187 4.147,1188 4.147,1189 3.931,1190 8.201,1191 3.952,1192 3.843,1193 3.888,1194 3.858,1195 3.734,1196 7.429,1197 3.73,1198 3.819,1199 3.852,1200 3.73,1201 3.662,1202 5.231,1203 3.668,1204 3.566,1205 3.608,1206 3.632,1207 3.392,1208 4.691,1209 3.379,1210 3.247,1211 3.327,1212 3.288,1213 3.039,1214 4.642,1215 3.029,1216 3.129,1217 3.208,1218 3.091,1219 2.905,1220 4.534,1221 2.922,1222 2.876,1223 2.929,1224 2.842,1225 2.735,1226 4.037,1227 2.715,1228 2.854,1229 2.925,1230 2.772,1231 2.684,1232 3.941,1233 2.702,1234 0.155,1235 0.149,1236 0.227,1237 0.139,1238 0.107,1239 4.654,1240 0.154,1241 4.48,1242 0.112,1243 6.815,1244 0.376,1245 4.156,1246 0.101,1247 3.215,1248 4.613,1249 3.359,1250 11.272,1251 3.022,1252 1.909,1253 1.878,1254 1.992,1255 2.043,1256 1.261,1257 2.025,1258 1.744,1259 1.715,1260 1.894,1261 1.896,1262 1.084,1263 1.889,1264 1.654,1265 1.596,1266 1.758,1267 1.857,1268 0.985,1269 1.851,1270 1.486,1271 1.431,1272 1.719,1273 1.712,1274 0.9,1275 1.729,1276 1.323,1277 1.287,1278 1.514,1279 1.564,1280 0.715,1281 1.559,1282 1.123,1283 1.05,1284 1.229,1285 1.487,1286 0.449,1287 1.4,1288 0.886,1289 0.821,1290 1.181,1291 1.155,1292 0.218,1293 1.193,1294 0.857,1295 0.778,1296 1.157,1297 1.08,1298 0.173,1299 1.107,1300 4.111,1302 5.416,1303 3.045,1304 6.905,1305 5.283,1306 8.482,1307 7.298,1308 10.11,1312 13.124,1315 3.518,1317 2.874,1318 5.489,1319 1.272,1320 0.111,1326 29.289,1327 83.731,1328 178.552,1329 214.215,1330 222.215,1331 222.215,1332 222.215,1333 48.584,1334 7.526,1335 94.82,1336 120.12,1337 22,1338 12.475,1339 4.17,1340 3.322,1341 40.417,1342 113,1343 110,1344 0.171,1345 181.935,1346 307.56,1347 435.681,1348 20459,1349 2.3,1350 18.64,1351 0.69,1352 0.561,1353 18.123,1354 15.155,1355 13.204,1356 0.44,1357 0.318,1358 8.45,1359 12.022,1360 8.267,1361 6.77,1362 13.264,1363 9.525,1364 11.69,1365 0.285,1366 0.171,1367 11.619,1368 7.021,1369 9.89,1370 0.183,1371 0.095,1372 10.248,1373 5.145,1374 8.094,1375 0.116,1376 0.051,1377 8.661,1378 3.568,1379 6.228,1380 0.075,1381 0.026,1382 6.682,1383 2.183,1384 0.274,1385 88.922,1386 0.22,1387 26.408,1388 0.454,1389 142,1390 533.001,1391 185.945,1392 499.637,1393 669.71,1394 468,1395 166,1396 473.708,1397 208.564,1398 476.745,1399 698.72,1400 448,1401 4.441}
{0 CHEMBL1425525,1 1.324,2 9.774,3 6.262,4 39.211,5 123.684,6 6.927,7 0.364,8 4.177,9 4.279,10 3.661,11 3.718,12 5.291,13 3.683,14 4.706,15 4.874,16 4.024,17 4.094,18 5.743,19 4.045,20 4.926,21 5.071,22 4.165,23 4.266,24 6.031,25 4.208,26 5.139,27 5.349,28 4.215,29 4.319,30 6.308,31 4.235,32 5.109,33 5.317,34 4.108,35 4.344,36 6.082,37 4.24,38 5.147,39 5.365,40 4.146,41 4.355,42 6.172,43 4.248,44 5.172,45 5.39,46 4.129,47 4.36,48 6.129,49 4.259,50 5.147,51 5.335,52 4.031,53 4.368,54 6.196,55 4.232,56 0.044,57 0.756,58 13.477,59 6.398,60 12.963,61 7.998,62 0.143,63 1.221,64 24.304,65 10.389,66 22.404,67 13.442,68 0.185,69 1.504,70 30.346,71 12.682,72 38.044,73 16.075,74 0.853,75 1.754,76 40.022,77 14.976,78 113.45,79 20.02,80 0.355,81 1.756,82 37.869,83 15.048,84 62.75,85 19.975,86 0.519,87 1.812,88 39.667,89 15.584,90 79.054,91 20.974,92 0.491,93 1.827,94 41.181,95 15.6,96 59.894,97 20.644,98 0.363,99 1.846,100 38.701,101 15.841,102 70.826,103 20.998,104 82,105 47,106 0.215,107 0.551,108 0.717,109 0.739,110 0.749,111 0.749,112 3.472,113 0.947,114 -5,115 -4.9,116 -4.59,120 42.6,121 4,122 3,125 1,128 1,136 2,137 2,143 4,144 4,145 4,158 1,174 14,177 8,182 4,185 21,189 6,197 16,200 1,201 9,204 3,205 1,206 3,209 19,214 6,222 18,226 1,227 9,230 1,232 3,235 20,240 4,245 4,247 18,251 1,252 8,257 4,260 15,264 2,269 4,271 10,274 1673,275 20.179,276 20.179,277 20.179,278 20.179,279 20.179,280 17.78,281 32.252,282 11.732,283 20.494,284 16.225,285 16.225,286 16.225,287 16.225,288 16.225,289 12.616,290 44.212,291 5.516,292 16.671,293 4.607,294 2.531,295 1.504,296 1.373,297 1.308,298 1.308,299 4.148,307 1,308 623,309 4,313 271.937,317 142.837,320 1.488,321 38.102,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 67,333 303,334 4.532,335 3.746,336 6.761,337 4.189,338 3.211,339 4.192,340 1.277,341 11.019,342 3.14,343 4.432,344 3.379,345 6.554,346 4.051,347 3.07,348 4.116,349 1.151,350 10.394,351 3.01,352 3.839,353 3.09,354 6.06,355 3.578,356 2.616,357 3.131,358 0.86,359 8.74,360 2.515,361 3.698,362 2.94,363 5.245,364 3.303,365 2.303,366 2.965,367 0.68,368 6.465,369 2.303,370 3.641,371 2.749,372 5.241,373 3.25,374 2.264,375 2.962,376 0.68,377 6.412,378 2.224,379 3.609,380 2.64,381 5.061,382 3.178,383 2.183,384 2.86,385 0.68,386 5.829,387 2.169,388 3.282,389 2.341,390 4.688,391 2.932,392 1.946,393 2.535,394 0.68,395 5.158,396 1.932,397 3.279,398 2.318,399 4.659,400 2.879,401 1.932,402 2.502,404 4.967,405 1.801,406 3.081,407 2.278,408 4.598,409 2.691,410 1.707,411 2.193,413 4.796,414 1.659,415 2.591,416 1.924,417 4.368,418 2.298,419 1.366,420 1.595,422 3.888,423 1.259,424 2.11,425 1.499,426 3.734,427 1.981,428 1.04,429 1.092,431 2.454,432 0.969,433 1.667,434 1.008,435 3,436 1.518,437 0.518,438 0.577,440 1.182,441 0.518,442 1.515,443 0.967,444 3,445 1.344,446 0.416,447 0.445,449 0.749,450 0.383,451 1.339,452 0.887,453 2.822,454 0.921,455 -0.047,456 -0.057,458 -0.123,459 -0.044,460 1.11,461 0.296,462 2.697,463 0.779,464 -0.172,465 -0.21,467 -0.471,468 -0.161,469 14.667,470 0.473,471 0.983,472 0.032,473 35.75,474 1.153,475 17.5,476 0.565,477 18.25,478 0.589,479 32.833,480 1.059,481 34.533,482 0.566,483 29.851,484 0.963,485 7.062,486 0.228,487 7.627,488 0.246,489 0.239,491 0.409,496 0.854,497 1.118,498 0.881,499 1.101,500 0.841,501 1.011,502 0.871,503 0.961,504 0.765,505 0.939,506 0.602,507 0.849,508 1.14,509 1.292,510 1.093,511 1.273,512 1.105,513 1.19,514 0.798,515 0.934,516 0.854,517 0.931,518 0.615,519 0.906,520 0.989,521 1.036,522 1.018,523 1.036,524 0.977,525 1.033,526 0.789,527 1.029,528 0.933,529 1.029,530 0.681,531 1.009,532 1.168,533 0.919,534 1.019,535 0.919,536 0.767,537 0.94,538 0.907,539 1.434,540 1.313,541 1.448,542 0.992,543 1.45,544 8,545 0.21,546 3.556,547 2.625,548 2.493,549 1.34,550 1.06,551 0.762,552 0.469,553 0.519,554 10841,555 27658,556 1.957,557 49.2,558 16,559 10,562 2,563 2,567 1.745,568 1.771,569 3.274,570 0.129,575 80.747,576 1.324,577 3.4,578 4.426,579 4.557,580 4.623,581 4.623,582 2.66,583 4.285,584 4.924,585 3.492,586 1623.76,587 8.65,588 22922.5,593 361.775,594 1.565,595 4.847,596 0.242,597 0.007,598 0.076,599 0.051,600 0.048,601 0.028,602 0.022,603 0.016,604 0.012,605 0.014,606 0.516,607 0.17,608 1,609 1.5,610 158.722,611 -0.054,612 0.023,613 0.02,614 0.027,615 -0.108,616 0.035,617 -0.012,618 0.104,619 0.176,620 0.121,621 0.047,622 0.171,623 -0.09,624 -0.223,625 -0.135,626 -0.218,627 -0.134,628 -0.189,629 0.288,630 0.06,631 0.142,632 0.058,633 0.318,634 0.073,635 -0.083,636 -0.023,637 -0.056,638 -0.024,639 -0.081,640 -0.034,641 0.095,642 -0.026,643 0.031,644 -0.025,645 0.083,646 -0.011,647 -0.125,648 0.074,649 -0.031,650 0.071,651 -0.028,652 0.041,653 -0.038,654 -0.404,655 -0.37,656 -0.421,657 -0.075,658 -0.448,659 1.929,660 5.759,661 0.516,662 30.547,663 0.998,664 1.119,665 3.766,666 14.185,667 0.651,668 3.526,669 3.871,670 4.111,671 4.419,672 4.673,673 4.852,674 4.977,675 5.088,676 5.263,677 5.323,678 6.432,679 0.614,680 422.56,681 3.526,682 5.081,683 5.927,684 6.823,685 7.696,686 8.601,687 9.486,688 10.395,689 11.287,690 12.198,709 4,714 8,716 12,721 1,734 2,735 2,738 61,739 15,740 2,741 33,743 63,744 26,745 12,746 8,747 4,748 1,752 3,753 4,759 4,763 2,766 4,768 17,769 9,772 3,778 1,780 2,782 3,789 30,790 5,791 2,792 5,803 0.667,804 5,823 3,827 1,845 2,846 2,855 2,859 5,862 31,868 2,869 3,872 2,874 1,886 8.2,888 2,889 1,891 2,893 17.5,894 12.483,895 6.833,896 3.551,898 2.696,899 1.353,900 0.917,901 7.242,902 10.331,903 3.761,904 4.369,905 4.864,906 5.43,907 5.95,908 6.282,909 6.553,910 6.88,911 7.293,912 7.565,913 1,914 51,915 11.55,917 4.894,918 7.828,919 21.878,921 17.692,924 2.328,925 72.167,929 329.591,930 145.379,933 132.511,936 145.379,937 462.102,939 46.184,940 7.604,941 56.857,942 115.645,943 51.6,945 329.591,947 329.591,948 145.379,949 132.511,952 329.591,953 132.511,956 42.904,957 83.522,958 18.952,960 329.591,961 132.511,962 145.379,965 329.591,966 42.337,967 103.041,969 132.511,970 329.591,971 132.511,972 145.379,973 0.584,974 0.324,975 0.181,976 0.104,977 21,978 12,979 0.095,980 6,981 1,982 1.125,983 3.941,984 281.996,985 0.125,986 16,987 135.58,993 23.112,994 9.714,995 5.383,997 132.511,998 6.575,1003 3.685,1005 85.367,1006 607.481,1007 42,1013 12.759,1015 4.287,1017 2.209,1020 60.891,1021 68.275,1022 0.223,1023 0.573,1024 0.746,1025 0.768,1026 0.779,1027 0.779,1028 5.024,1029 1.932,1030 5.943,1031 5.158,1032 4.554,1033 5.056,1034 2.492,1035 6.779,1036 4.504,1037 6.257,1038 1.707,1039 7.521,1040 4.967,1041 4.29,1042 5.017,1044 7.738,1045 4.222,1046 7.584,1047 1.366,1048 9.196,1049 4.796,1050 6.172,1051 7.235,1052 2.537,1053 10.84,1054 6.082,1055 8.939,1056 1.04,1057 10.927,1058 3.888,1059 6.648,1060 7.926,1062 12.606,1063 6.535,1064 10.319,1065 0.518,1066 12.694,1067 2.454,1068 8.068,1069 9.693,1070 2.769,1071 15.253,1072 7.939,1073 11.719,1074 0.416,1075 14.488,1076 1.182,1077 8.897,1078 10.742,1080 17.37,1081 8.741,1082 13.134,1083 -0.047,1084 16.301,1085 0.749,1086 10.141,1087 12.325,1088 3.105,1089 19.848,1090 9.968,1091 3.211,1092 -0.172,1093 18.131,1094 -0.123,1095 11.14,1096 13.56,1098 22.115,1099 10.941,1100 3.07,1101 11.019,1102 19.973,1103 -0.471,1104 12.317,1105 15.06,1106 3.494,1107 24.529,1108 12.1,1109 2.616,1110 10.394,1111 21.826,1112 4.192,1113 13.397,1114 16.389,1116 26.859,1117 13.155,1118 2.303,1119 8.74,1120 23.687,1121 4.116,1122 14.551,1123 17.851,1124 3.912,1125 29.25,1126 14.29,1127 2.264,1128 6.465,1129 25.554,1130 3.131,1131 15.668,1132 19.227,1134 31.608,1135 15.384,1136 2.183,1137 6.412,1138 27.427,1139 2.965,1140 16.816,1141 20.67,1142 4.347,1143 33.991,1144 16.511,1145 1.946,1146 5.829,1147 29.304,1148 2.962,1149 17.951,1150 22.071,1152 36.362,1153 17.623,1154 10938,1155 17710,1156 20.808,1157 39.693,1158 49.589,1159 51.345,1160 51.876,1161 49.171,1162 49.142,1163 62.33,1164 12.017,1165 144.108,1166 47.765,1167 5.478,1168 5.746,1169 6.268,1170 5.287,1171 5.211,1172 7.192,1173 2.555,1174 18,1175 5.14,1176 20.944,1177 1.503,1178 1.556,1179 1.572,1180 1.49,1181 1.489,1182 1.889,1183 0.364,1184 4.367,1185 1.447,1186 4.056,1187 4.069,1188 4.012,1189 3.979,1190 7.427,1191 3.983,1192 3.92,1193 3.93,1194 3.88,1195 3.842,1196 6.492,1197 3.85,1198 3.713,1199 3.764,1200 3.59,1201 3.626,1202 6.445,1203 3.611,1204 3.657,1205 3.705,1206 3.539,1207 3.565,1208 4.86,1209 3.552,1210 3.49,1211 3.518,1212 3.399,1213 3.339,1214 4.679,1215 3.347,1216 3.242,1217 3.3,1218 3.115,1219 3.049,1220 4.437,1221 3.027,1222 3.181,1223 3.26,1224 2.995,1225 2.993,1226 4.434,1227 3.012,1228 3.095,1229 3.137,1230 2.945,1231 2.873,1232 4.308,1233 2.869,1234 0.137,1235 0.114,1236 0.205,1237 0.127,1238 0.097,1239 4.532,1240 0.127,1241 3.746,1242 0.039,1243 6.761,1244 0.334,1245 4.189,1246 0.095,1247 3.211,1248 4.192,1249 1.277,1250 11.019,1251 3.14,1252 1.997,1253 1.983,1254 2.094,1255 2.092,1256 1.332,1257 2.089,1258 1.889,1259 1.88,1260 1.976,1261 1.994,1262 1.157,1263 1.989,1264 1.736,1265 1.689,1266 1.951,1267 1.864,1268 1.101,1269 1.897,1270 1.664,1271 1.619,1272 1.861,1273 1.795,1274 0.988,1275 1.821,1276 1.449,1277 1.416,1278 1.651,1279 1.64,1280 0.862,1281 1.64,1282 1.217,1283 1.144,1284 1.56,1285 1.491,1286 0.726,1287 1.513,1288 1.184,1289 1.118,1290 1.532,1291 1.408,1292 0.575,1293 1.455,1294 1.06,1295 1.002,1296 1.417,1297 1.285,1298 0.51,1299 1.308,1300 4.205,1302 5.541,1304 7.066,1306 8.693,1308 10.381,1310 9.895,1314 19.906,1315 1.53,1318 11.832,1320 -0.511,1326 37.476,1327 80.747,1328 207.403,1329 270.001,1330 278.001,1331 282.001,1332 282.001,1333 85.477,1334 7.634,1335 75.99,1336 75.99,1337 18,1338 12.716,1339 4,1340 3.322,1341 57.708,1342 117,1343 110,1344 0.24,1345 231.626,1346 419.67,1347 556.927,1348 19487,1350 22.706,1351 0.732,1352 0.606,1353 22.706,1354 18.782,1355 14.689,1356 0.445,1357 0.316,1358 10.298,1359 14.215,1360 9.796,1361 8.247,1362 14.689,1363 10.414,1364 13.866,1365 0.295,1366 0.179,1367 13.866,1368 8.415,1369 10.407,1370 0.173,1371 0.088,1372 10.407,1373 5.286,1374 9.229,1375 0.113,1376 0.046,1377 9.229,1378 3.772,1379 7.234,1380 0.068,1381 0.026,1382 7.234,1383 2.71,1384 0.367,1385 91.797,1386 0.219,1387 28.57,1388 0.687,1389 160,1390 465.506,1391 173.397,1392 445.061,1393 596.92,1394 414,1395 187,1396 426.606,1397 200.621,1398 436.774,1399 635.21,1400 406,1401 4.928}
{0 CHEMBL1425921,1 1.814,2 10.308,3 3.649,4 13.319,5 101.163,6 8.639,7 0.571,8 3.878,9 3.99,10 3.609,11 3.435,12 5.115,13 3.409,14 4.37,15 4.535,16 4.027,17 3.807,18 5.682,19 3.776,20 4.478,21 4.619,22 3.983,23 3.895,24 5.754,25 3.842,26 4.652,27 4.835,28 4.06,29 3.9,30 5.981,31 3.832,32 4.583,33 4.793,34 3.953,35 3.795,36 5.995,37 3.714,38 4.483,39 4.682,40 3.837,41 3.705,42 5.704,43 3.62,44 4.332,45 4.508,46 3.775,47 3.632,48 5.603,49 3.537,50 4.28,51 4.482,52 3.443,53 3.498,54 5.448,55 3.413,56 0.179,57 0.69,58 7.26,59 3.774,60 5.282,61 4.393,62 0.379,63 1.067,64 16.351,65 6.111,66 50.485,67 7.605,68 0.337,69 1.18,70 18.611,71 7.52,72 29.879,73 8.305,74 0.651,75 1.26,76 21.966,77 8.3,78 54.009,79 10.131,80 0.666,81 1.157,82 25.014,83 8.035,84 92.361,85 9.784,86 0.575,87 1.049,88 22.959,89 7.09,90 79.29,91 7.889,92 0.398,93 0.94,94 21.528,95 7.02,96 44.571,97 7.585,98 0.326,99 0.856,100 20.892,101 6.407,102 37.56,103 7.243,104 51,105 41,106 0.312,107 0.668,108 0.758,109 0.818,110 0.826,111 0.85,112 3.304,113 0.924,114 -4.43,115 -4.36,116 -4.11,120 39.5,121 3,125 1,143 3,144 3,145 1,147 2,152 1,153 1,159 1,163 1,167 3,174 8,176 1,177 2,180 2,182 1,185 11,188 3,189 3,192 1,197 10,200 7,201 3,204 2,206 2,209 6,213 3,214 3,217 2,219 2,222 4,226 2,227 5,232 2,235 4,239 2,240 6,245 2,247 2,252 8,257 1,264 12,274 964,275 16.74,276 16.74,277 16.74,278 16.74,279 16.74,280 14.285,281 21.344,282 9.499,283 17.178,284 13.768,285 13.768,286 13.768,287 13.768,288 13.768,289 10.043,290 27.248,291 4.493,292 14.491,293 3.613,294 1.547,295 1.024,296 0.675,297 0.628,298 0.489,299 3.974,305 1,306 1,307 1,308 562,309 3.391,312 156.907,313 89.839,320 1.692,321 32.212,323 1,324 1,325 1,326 1,327 0.8,329 1,330 1,331 0.83,332 57.5,333 268,334 4.531,335 3.837,336 6.647,337 4.106,338 3.144,339 4.261,340 2.612,341 10.614,342 3.033,343 4.457,344 3.535,345 6.513,346 4.033,347 3.075,348 4.172,349 1.058,350 10.216,351 2.965,352 4.115,353 3.155,354 5.897,355 3.69,356 2.725,357 3.735,359 8.102,360 2.619,361 3.79,362 2.901,363 5.556,364 3.339,365 2.375,366 3.218,368 7.197,369 2.281,370 3.598,371 2.616,372 5.253,373 3.073,374 2.127,375 2.938,377 6.217,378 2.005,379 3.428,380 2.281,381 4.948,382 2.99,383 2.047,384 2.723,386 5.685,387 1.896,388 3.049,389 1.951,390 4.798,391 2.628,392 1.7,393 2.222,395 4.95,396 1.558,397 2.82,398 1.786,399 4.056,400 2.414,401 1.414,402 1.948,404 3.53,405 1.414,406 2.669,407 1.634,408 3.961,409 2.061,410 1.076,411 1.619,413 2.843,414 1.051,415 2.405,416 1.067,417 3.895,418 1.858,419 0.957,420 1.362,422 2.685,423 0.847,424 2.266,425 1.048,426 3.527,427 1.686,428 0.723,429 1.09,431 1.982,432 0.691,433 1.372,434 1,435 2.742,436 1.087,437 0.1,438 0.121,440 0.221,441 0.098,442 1.026,443 0.445,444 2.659,445 0.614,446 -0.33,447 -0.41,449 -0.871,450 -0.301,451 1,452 0.347,453 2.374,454 0.418,455 -0.543,456 -0.667,458 -1.429,459 -0.519,460 0.777,461 -0.276,462 2,463 0.196,464 -0.741,465 -0.873,467 -1.779,468 -0.688,469 12.333,470 0.474,471 0.915,472 0.035,473 35.75,474 1.375,475 19,476 0.731,477 16.75,478 0.644,479 20.965,480 0.806,481 27.867,482 0.648,483 26.841,484 1.032,485 6.984,486 0.269,487 5.273,488 0.203,489 0.243,491 0.43,496 0.454,497 1.157,498 0.679,499 0.911,500 0.517,501 0.896,502 0.513,503 1.039,504 0.605,505 0.805,506 0.389,507 0.68,508 0.779,509 1.197,510 1.215,511 1.31,512 0.72,513 1.17,514 0.656,515 1.04,516 0.857,517 1.058,518 0.873,519 1.12,520 0.717,521 0.956,522 0.971,523 0.99,524 0.606,525 0.916,526 1.389,527 0.878,528 1.151,529 0.903,530 1.471,531 0.895,532 0.871,533 1.246,534 1.402,535 1.465,536 0.875,537 1.174,538 1.057,539 1.168,540 1.52,541 1.411,542 0.927,543 1.159,544 7,545 0.136,546 3.556,547 2.604,548 2.088,549 0.782,550 0.689,551 0.375,552 0.368,553 0.201,554 7548,555 24352,556 1.97,557 39.5,558 6,559 6,560 1,562 1,563 3,567 1.69,568 1.773,569 3.348,570 -0.218,572 1,575 77.991,576 1.814,577 3.879,578 4.402,579 4.751,580 4.798,581 4.937,582 2.782,583 4.316,584 4.675,585 3.524,586 1145.17,587 8.095,588 14320.6,590 1,592 1,593 233.329,594 1.558,595 4.588,596 0.25,597 0.008,598 0.087,599 0.065,600 0.055,601 0.023,602 0.024,603 0.014,604 0.016,605 0.01,606 0.55,607 0.17,608 1,609 0.871,610 127.275,611 0.182,612 0.018,613 0.067,614 0.053,615 -0.03,616 0.003,617 0.217,618 0.045,619 0.311,620 0.203,621 0.23,622 0.284,623 -0.008,624 -0.073,625 -0.24,626 -0.239,627 -0.023,628 -0.229,629 0.293,630 -0.032,631 0.051,632 -0.114,633 0.054,634 -0.172,635 0.249,636 0.03,637 0.13,638 0.054,639 0.327,640 0.083,641 -0.24,642 0.108,643 -0.004,644 0.167,645 -0.257,646 0.082,647 0.034,648 -0.189,649 -0.105,650 -0.23,651 0.018,652 -0.158,653 -0.169,654 -0.155,655 -0.327,656 -0.276,657 -0.075,658 -0.142,659 2.629,660 5.384,661 0.615,662 21.929,663 1.02,664 1.129,665 3.202,666 10.255,667 0.689,668 3.367,669 3.738,670 3.989,671 4.248,672 4.382,673 4.382,674 4.431,675 4.511,676 4.585,677 4.654,678 6.287,679 0.665,680 371.46,681 3.367,682 4.934,683 5.79,684 6.686,685 7.562,686 8.456,687 9.339,688 10.232,689 11.118,690 12.01,691 11.6,698 1,699 1,701 2,702 1,709 4,710 2,713 1,714 8,715 1,716 16,723 1,731 1,738 43,739 19,740 1,741 28,743 45,744 17,745 12,746 3,747 3,748 1,752 3,753 3,759 3,768 13,769 4,772 3,775 1,778 3,782 1,785 1,786 1,789 17,790 6,791 1,792 9,793 1,797 5,803 1,804 3,814 1,822 2,823 1,855 3,857 1,859 4,862 26,871 1,879 1,886 7,889 1,892 2,893 14.667,894 9.3,895 5.583,896 2.414,898 3.045,899 1.429,900 0.968,901 4.987,902 10.147,903 3.689,904 4.357,905 4.913,906 5.497,907 5.885,908 6.1,909 6.351,910 6.718,911 7.002,912 7.303,913 0.857,914 40,915 9.601,917 4.115,918 8.051,919 17.702,921 14.131,924 2.551,925 66.333,928 1,929 188.338,930 128.017,931 58.906,933 75.892,935 31.278,936 96.739,937 264.229,938 58.906,939 40.542,940 18.011,941 37.476,942 63.298,943 20.104,944 13.13,945 207.844,946 50.747,947 188.338,948 155.645,949 75.892,950 31.278,952 188.338,953 25.145,954 50.747,956 52.277,957 64.249,958 39.119,959 31.278,960 188.338,961 134.798,962 128.017,965 188.338,966 55.668,967 79.795,968 18.011,969 109.34,970 188.338,971 134.798,972 128.017,973 0.601,974 0.351,975 0.184,976 0.1,977 20,978 11,979 0.089,980 4,982 1,983 3.659,984 216.8,986 16,987 120.211,989 1,993 18.365,994 7.06,995 3.743,997 127.351,998 7.258,999 8.356,1002 1.316,1003 4.836,1004 1.237,1005 18.011,1006 451.152,1007 39,1010 -0.629,1013 34.491,1017 -0.655,1020 43.869,1021 48.531,1022 0.334,1023 0.715,1024 0.811,1025 0.876,1026 0.884,1027 0.91,1028 4.942,1029 1.414,1030 5.82,1031 4.95,1032 4.419,1033 5.043,1034 2.67,1035 6.663,1036 4.327,1037 6.201,1038 1.076,1039 7.412,1040 3.53,1041 4.205,1042 5.066,1043 2.361,1044 7.612,1045 4.087,1046 7.541,1047 0.957,1048 9.097,1049 2.843,1050 6.057,1051 7.304,1052 4.193,1053 10.704,1054 5.887,1055 8.913,1056 0.723,1057 10.833,1058 2.685,1059 6.594,1060 8.091,1061 4.506,1062 12.449,1063 6.4,1064 10.313,1065 0.1,1066 12.601,1067 1.982,1068 7.984,1069 9.842,1070 5.955,1071 15.068,1072 7.746,1073 11.731,1074 -0.33,1075 14.392,1076 0.221,1077 8.848,1078 10.97,1079 6.556,1080 17.153,1081 8.582,1082 13.164,1083 -0.543,1084 16.2,1085 -0.871,1086 10.068,1087 12.532,1088 7.796,1089 19.601,1090 9.764,1091 3.144,1092 -0.741,1093 18.022,1094 -1.429,1095 11.077,1096 13.818,1097 8.548,1098 21.834,1099 10.741,1100 3.075,1101 10.614,1102 19.854,1103 -1.779,1104 12.235,1105 15.303,1106 9.67,1107 24.218,1108 11.863,1109 2.725,1110 10.216,1111 21.694,1112 4.261,1113 13.309,1114 16.665,1115 10.509,1116 26.515,1117 12.903,1118 2.375,1119 8.102,1120 23.542,1121 4.172,1122 14.445,1123 18.118,1124 11.563,1125 28.875,1126 14.004,1127 2.127,1128 7.197,1129 25.396,1130 3.735,1131 15.548,1132 19.516,1133 12.452,1134 31.201,1135 15.073,1136 2.047,1137 6.217,1138 27.254,1139 3.218,1140 16.678,1141 20.957,1142 13.468,1143 33.552,1144 16.167,1145 1.7,1146 5.685,1147 29.116,1148 2.938,1149 17.796,1150 22.373,1151 14.386,1152 35.89,1153 17.249,1154 7485,1155 13719,1156 17.63,1157 29.608,1158 43.611,1159 45.188,1160 45.675,1161 42.962,1162 42.925,1163 58.82,1164 7.342,1165 128.484,1166 40.912,1167 5.379,1168 5.837,1169 5.945,1170 5.232,1171 5.144,1172 7.261,1173 4.612,1174 17.593,1175 5.033,1176 17.28,1177 1.558,1178 1.614,1179 1.631,1180 1.534,1181 1.533,1182 2.101,1183 0.262,1184 4.589,1185 1.461,1186 4.052,1187 4.091,1188 4.256,1189 3.986,1190 7.815,1191 3.963,1192 3.984,1193 4.014,1194 3.998,1195 3.788,1196 7.429,1197 3.826,1198 3.753,1199 3.78,1200 3.84,1201 3.722,1202 6.999,1203 3.67,1204 3.478,1205 3.524,1206 3.457,1207 3.083,1208 4.902,1209 3.108,1210 3.33,1211 3.381,1212 3.255,1213 3.019,1214 4.849,1215 3.068,1216 3.155,1217 3.246,1218 3.047,1219 2.984,1220 4.616,1221 2.992,1222 3.135,1223 3.222,1224 2.924,1225 2.956,1226 3.925,1227 2.952,1228 2.977,1229 3.061,1230 2.793,1231 2.742,1232 3.872,1233 2.737,1234 0.162,1235 0.137,1236 0.237,1237 0.147,1238 0.112,1239 4.531,1240 0.152,1241 3.837,1242 0.093,1243 6.647,1244 0.379,1245 4.106,1246 0.108,1247 3.144,1248 4.261,1249 2.612,1250 10.614,1251 3.033,1252 1.955,1253 1.932,1254 2.066,1255 2.024,1256 1.215,1257 2.04,1258 1.655,1259 1.632,1260 1.755,1261 1.974,1262 0.882,1263 1.877,1264 1.529,1265 1.502,1266 1.708,1267 1.816,1268 0.817,1269 1.777,1270 1.498,1271 1.421,1272 1.639,1273 1.644,1274 0.664,1275 1.681,1276 1.305,1277 1.257,1278 1.566,1279 1.614,1280 0.629,1281 1.565,1282 1.192,1283 1.106,1284 1.51,1285 1.42,1286 0.593,1287 1.476,1288 1.139,1289 1.065,1290 1.322,1291 1.387,1292 0.346,1293 1.42,1294 0.906,1295 0.879,1296 1.092,1297 1.192,1298 0.165,1299 1.156,1300 4.043,1302 5.398,1303 3.045,1304 6.919,1305 5.416,1306 8.517,1307 7.506,1308 10.158,1310 7.512,1317 2.612,1326 28.599,1327 77.991,1328 166.8,1329 189.29,1330 204.31,1331 206.31,1332 212.31,1333 55.397,1334 7.102,1335 105.63,1336 133.87,1337 16,1338 12.538,1339 4.322,1340 3.585,1341 44.41,1342 99,1343 91,1344 0.223,1345 182.405,1346 309,1347 436.827,1348 10750,1350 19.008,1351 0.731,1352 0.598,1353 19.361,1354 15.548,1355 12.257,1356 0.438,1357 0.308,1358 7.742,1359 11.178,1360 7.326,1361 6.165,1362 12.665,1363 8.621,1364 11.868,1365 0.289,1366 0.175,1367 12.596,1368 7.174,1369 9.477,1370 0.179,1371 0.093,1372 10.148,1373 4.905,1374 7.738,1375 0.112,1376 0.049,1377 8.557,1378 3.365,1379 5.992,1380 0.076,1381 0.027,1382 6.639,1383 2.11,1384 0.35,1385 82.022,1386 0.238,1387 25.013,1388 0.613,1389 138,1390 478.98,1391 181.092,1392 482.014,1393 646.44,1394 444,1395 163,1396 467.277,1397 200.542,1398 483.886,1399 700.46,1400 450,1401 5.368}
{0 CHEMBL1426318,1 1.766,2 8.6,3 2.984,4 8.902,5 96.111,6 8.238,7 0.444,8 3.885,9 3.979,10 3.695,11 3.475,12 4.993,13 3.432,14 4.45,15 4.61,16 4.042,17 3.873,18 5.769,19 3.828,20 4.684,21 4.832,22 4.155,23 4.066,24 5.92,25 3.997,26 4.843,27 5.027,28 4.16,29 4.13,30 6.066,31 4.035,32 4.882,33 5.076,34 4.138,35 4.07,36 6.153,37 3.995,38 4.744,39 4.936,40 3.959,41 3.89,42 6.345,43 3.826,44 4.548,45 4.754,46 3.7,47 3.67,48 5.952,49 3.59,50 4.401,51 4.627,52 3.344,53 3.496,54 5.624,55 3.376,56 0.099,57 0.717,58 10.551,59 4.551,60 16.976,61 5.098,62 0.406,63 1.166,64 18.029,65 7.338,66 49.272,67 8.641,68 0.418,69 1.453,70 24.776,71 10.037,72 69.15,73 10.724,74 0.534,75 1.571,76 34.442,77 12.412,78 74.904,79 13.813,80 0.745,81 1.578,82 34.962,83 12.193,84 118.835,85 13.657,86 0.906,87 1.374,88 29.513,89 10.32,90 186.692,91 12.148,92 0.673,93 1.144,94 22.197,95 7.696,96 92.177,97 9.125,98 0.45,99 1.063,100 25.251,101 8.071,102 71.324,103 8.767,104 55,105 41,106 0.305,107 0.597,108 0.732,109 0.794,110 0.81,111 0.81,112 3.269,113 1.029,114 -3.67,115 -3.64,116 -3.47,120 40.9,121 1,122 1,125 2,128 1,143 7,144 1,145 4,157 1,174 4,176 3,177 8,185 6,189 10,197 5,200 1,201 13,209 6,213 1,214 5,222 10,226 2,227 5,235 9,239 2,240 5,247 5,252 2,263 1,264 2,274 916,275 15.979,276 15.979,277 15.979,278 15.979,279 15.979,280 14.106,281 22.182,282 9.061,283 16.286,284 13.299,285 13.299,286 13.299,287 13.299,288 13.299,289 10.348,290 31.569,291 4.273,292 13.849,293 3.694,294 2.007,295 1.225,296 0.87,297 0.779,298 0.779,299 3.938,305 1,306 1,307 1,308 448,309 3.674,312 51.957,313 136.327,316 100.511,320 1.264,321 44.746,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55.5,333 215,334 5.051,335 4.783,336 7.896,337 4.629,338 3.695,339 4.855,340 2.178,341 14.82,342 3.433,343 4.12,344 3.591,345 6.275,346 3.744,347 2.786,348 3.705,349 0.8,350 8.978,351 2.674,352 4.02,353 3.094,354 6.207,355 3.594,356 2.616,357 3.59,358 0.657,359 8.928,360 2.551,361 3.75,362 2.983,363 5.911,364 3.461,365 2.51,366 2.987,368 8.096,369 2.395,370 3.559,371 2.883,372 5.161,373 3.214,374 2.232,375 2.792,377 6.167,378 2.176,379 3.342,380 2.529,381 4.919,382 2.955,383 1.957,384 2.565,386 5.317,387 1.918,388 2.984,389 1.885,390 4.588,391 2.612,392 1.648,393 2.109,395 4.644,396 1.571,397 2.55,398 1.405,399 3.938,400 2.183,401 1.225,402 1.548,404 3.004,405 1.17,406 2.5,407 1.125,408 3.782,409 2,410 1.012,411 1.5,413 2.661,414 1,415 2.357,416 1,417 3.468,418 2,419 1,420 1.316,422 2.275,423 0.998,424 1.486,425 0.831,426 3.414,427 1.187,428 0.202,429 0.24,431 0.589,432 0.198,433 1.175,434 0.507,435 2.956,436 0.744,437 -0.17,438 -0.217,440 -0.422,441 -0.149,442 1,443 0.238,444 2.465,445 0.437,446 -0.54,447 -0.633,449 -1.379,450 -0.522,451 0.796,452 -0.069,453 2.399,454 0.292,455 -0.684,456 -0.872,458 -1.952,459 -0.661,460 0.695,461 -0.269,462 2.297,463 0.098,464 -1,465 -1,467 -2,468 -0.9,469 11.919,470 0.477,471 0.959,472 0.038,473 33.25,474 1.33,475 17.5,476 0.7,477 15.75,478 0.63,479 20.183,480 0.807,481 27.681,482 0.629,483 27.444,484 1.098,485 6.517,486 0.261,487 5.196,488 0.208,489 0.234,490 0.07,491 0.361,494 1,496 0.473,497 1.253,498 0.778,499 1.28,500 0.574,501 0.999,502 0.629,503 0.917,504 0.703,505 0.783,506 0.519,507 0.757,508 1.093,509 1.101,510 1.121,511 1.099,512 1.038,513 1.047,514 0.915,515 0.986,516 1.222,517 1.195,518 0.894,519 1.037,520 1.1,521 0.844,522 0.964,523 0.997,524 1.265,525 0.961,526 0.883,527 1.076,528 0.935,529 1.066,530 0.895,531 1.026,532 1.095,533 1.003,534 0.925,535 0.867,536 1.09,537 1.029,538 1.334,539 1.312,540 1.517,541 1.35,542 1.202,543 1.18,544 7,545 0.073,546 4,547 3.521,548 2.046,549 1.615,550 0.685,551 0.511,552 0.273,553 0.156,554 5722,555 18473,556 1.96,557 43.2,559 14,563 5,567 1.689,568 1.754,569 3.012,570 -0.711,571 1,572 1,575 77.691,576 1.766,577 3.452,578 4.234,579 4.59,580 4.681,581 4.681,582 2.483,583 4.054,584 4.609,585 3.21,586 962.892,587 8.023,588 11096.2,590 1,592 1,593 240.215,594 1.757,595 4.518,596 0.259,597 0.008,598 0.098,599 0.08,600 0.046,601 0.039,602 0.019,603 0.02,604 0.014,605 0.014,606 0.598,607 0.33,608 1,609 1.177,610 117.064,611 0.073,612 -0.192,613 0.213,614 -0.12,615 -0.088,616 -0.008,617 0.124,618 0.083,619 0.19,620 0.189,621 0.152,622 0.184,623 -0.174,624 -0.05,625 -0.111,626 -0.035,627 -0.124,628 -0.093,629 -0.068,630 -0.059,631 -0.091,632 -0.084,633 -0.031,634 -0.037,635 -0.062,636 0.044,637 0.028,638 -0.01,639 -0.149,640 0.015,641 0.247,642 -0.089,643 0.011,644 -0.107,645 0.3,646 -0.055,647 0.01,648 -0.041,649 -0.056,650 -0.004,651 0.009,652 -0.105,653 -0.184,654 -0.121,655 -0.319,656 -0.24,657 -0.085,658 -0.171,659 4.76,660 5.988,661 0.6,662 20.048,663 1.017,664 1.128,665 2.444,666 5.975,667 0.678,668 3.332,669 3.738,670 4.025,671 4.369,672 4.644,673 4.804,674 4.927,675 4.956,676 4.934,677 4.875,678 5.207,679 0.648,680 362.46,681 3.332,682 4.92,683 5.796,684 6.73,685 7.642,686 8.587,687 9.514,688 10.465,689 11.4,690 12.354,691 4.5,697 2,709 7,714 5,716 12,732 1,737 1,738 44,739 15,740 2,741 27,743 46,744 18,745 12,746 5,747 7,752 3,753 4,759 1,763 1,766 2,768 13,769 5,772 3,776 1,778 3,782 1,785 1,786 1,787 1,789 19,790 6,792 7,793 1,797 2,803 0.667,804 3,822 1,823 2,826 1,836 1,855 2,857 1,859 3,861 1,862 25,866 1,869 1,874 1,875 2,885 1,886 6.8,889 3,893 14.25,894 8.876,895 5.306,896 2.462,898 2.397,899 1.333,900 0.978,901 4.502,902 9.594,903 3.611,904 4.263,905 4.766,906 5.355,907 5.903,908 6.212,909 6.555,910 6.803,911 7.052,912 7.248,913 0.833,914 44,915 9.635,917 4.552,918 8.17,919 17.347,921 14.651,924 2.67,925 66.75,928 1,929 223.651,930 124.798,931 4.643,933 69.458,934 14.96,935 5.807,936 118.991,937 293.109,938 19.603,939 25.618,940 2.535,941 72.141,942 74.591,943 24.014,944 14.96,945 223.651,947 223.651,948 123.633,949 84.418,950 5.807,952 238.611,953 69.458,956 11.36,957 112.274,958 5.807,960 238.611,961 74.101,962 124.798,964 5.807,965 223.651,966 27.039,967 96.595,969 84.418,970 223.651,971 89.061,972 124.798,973 0.603,974 0.342,975 0.189,976 0.116,977 21,978 11,979 0.087,980 4,981 1,982 1.133,983 3.399,984 219.049,985 0.133,986 15,987 108.096,992 1,993 17.748,994 6.342,995 3.111,997 89.061,998 10.596,1003 1.233,1006 437.51,1007 36,1011 -3.843,1013 37.681,1017 -0.16,1020 44.727,1021 49.621,1022 0.323,1023 0.632,1024 0.776,1025 0.841,1026 0.857,1027 0.857,1028 4.898,1029 1.225,1030 5.866,1031 4.644,1032 4.419,1033 4.949,1034 2.33,1035 6.812,1036 4.337,1037 6.166,1038 1.012,1039 7.521,1040 3.004,1041 4.369,1042 5.139,1043 2.085,1044 8.179,1045 4.199,1046 7.542,1047 1,1048 9.293,1049 2.661,1050 6.18,1051 7.269,1052 3.388,1053 11.329,1054 5.985,1055 8.959,1056 0.202,1057 11.138,1058 2.275,1059 6.909,1060 8.24,1061 3.753,1062 13.559,1063 6.603,1064 10.414,1065 -0.17,1066 13.033,1067 0.589,1068 8.325,1069 9.975,1070 4.785,1071 16.364,1072 7.982,1073 11.899,1074 -0.54,1075 14.965,1076 -0.422,1077 9.389,1078 11.283,1079 5.38,1080 18.909,1081 8.934,1082 13.409,1083 -0.684,1084 16.925,1085 -1.379,1086 10.698,1087 12.899,1088 6.28,1089 21.631,1090 10.186,1091 3.695,1092 -1,1093 18.907,1094 -1.952,1095 11.903,1096 14.356,1097 6.973,1098 24.279,1099 11.291,1100 2.786,1101 14.82,1102 20.907,1103 -2,1104 13.192,1105 15.937,1106 7.81,1107 26.981,1108 12.51,1109 2.616,1110 8.978,1111 22.921,1112 4.855,1113 14.455,1114 17.46,1115 8.548,1116 29.662,1117 13.683,1118 2.51,1119 8.928,1120 24.947,1121 3.705,1122 15.747,1123 19.033,1124 9.354,1125 32.359,1126 14.9,1127 2.232,1128 8.096,1129 26.981,1130 3.59,1131 17.033,1132 20.586,1133 10.114,1134 35.05,1135 16.104,1136 1.957,1137 6.167,1138 29.022,1139 2.987,1140 18.33,1141 22.16,1142 10.905,1143 37.747,1144 17.324,1145 1.648,1146 5.317,1147 31.068,1148 2.792,1149 19.628,1150 23.726,1151 11.675,1152 40.441,1153 18.543,1154 5810,1155 10597,1156 16.819,1157 29.813,1158 42.105,1159 43.544,1160 44.308,1161 41.893,1162 41.765,1163 54.411,1164 7.271,1165 130.958,1166 40.171,1167 5.939,1168 6.783,1169 7.311,1170 5.691,1171 5.695,1172 7.855,1173 3.677,1174 23.386,1175 5.433,1176 16.387,1177 1.559,1178 1.613,1179 1.641,1180 1.552,1181 1.547,1182 2.015,1183 0.269,1184 4.85,1185 1.488,1186 4.178,1187 4.167,1188 4.766,1189 4.154,1190 8.201,1191 4.084,1192 3.882,1193 3.915,1194 3.84,1195 3.809,1196 7.715,1197 3.806,1198 3.623,1199 3.66,1200 3.738,1201 3.497,1202 7.427,1203 3.473,1204 3.59,1205 3.591,1206 3.527,1207 3.463,1208 6.999,1209 3.424,1210 3.411,1211 3.467,1212 3.275,1213 3.196,1214 4.758,1215 3.191,1216 3.11,1217 3.17,1218 2.99,1219 2.954,1220 4.56,1221 2.936,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 4.199,1227 2.715,1228 2.854,1229 2.925,1230 2.676,1231 2.618,1232 3.931,1233 2.579,1234 0.187,1235 0.177,1236 0.292,1237 0.171,1238 0.137,1239 5.051,1240 0.18,1241 4.783,1242 0.081,1243 7.896,1244 0.549,1245 4.629,1246 0.127,1247 3.695,1248 4.855,1249 2.178,1250 14.82,1251 3.433,1252 1.93,1253 1.937,1254 2.022,1255 2.032,1256 1.243,1257 2.042,1258 1.913,1259 1.885,1260 1.97,1261 1.986,1262 1.156,1263 2.003,1264 1.655,1265 1.638,1266 1.808,1267 1.833,1268 1.01,1269 1.85,1270 1.455,1271 1.438,1272 1.713,1273 1.687,1274 0.788,1275 1.703,1276 1.348,1277 1.291,1278 1.486,1279 1.54,1280 0.664,1281 1.581,1282 1.118,1283 1.063,1284 1.417,1285 1.32,1286 0.473,1287 1.358,1288 0.934,1289 0.821,1290 1.181,1291 1.239,1292 0.469,1293 1.308,1294 0.886,1295 0.804,1296 1.124,1297 1.062,1298 0.218,1299 1.107,1300 4.007,1302 5.389,1303 2.398,1304 6.963,1305 5.043,1306 8.632,1307 7.391,1308 10.359,1310 5.175,1312 13.692,1315 -0.009,1320 -0.738,1321 3.122,1326 28.499,1327 77.691,1328 151.892,1329 186.299,1330 201.95,1331 205.95,1332 205.95,1333 72.934,1334 7.197,1335 57.69,1336 66.07,1337 17,1338 12.844,1339 4,1340 3.322,1341 41.374,1342 74,1343 88,1344 0.276,1345 178.667,1346 315.55,1347 427.708,1348 10729,1349 2.3,1350 18.353,1351 0.734,1352 0.602,1353 17.733,1354 15.048,1355 11.713,1356 0.434,1357 0.343,1358 7.823,1359 10.464,1360 7.404,1361 6.163,1362 12.108,1363 9.263,1364 11.748,1365 0.287,1366 0.198,1367 12.377,1368 8.099,1369 8.999,1370 0.164,1371 0.112,1372 9.968,1373 6.163,1374 7.881,1375 0.101,1376 0.064,1377 9.153,1378 4.963,1379 6.511,1380 0.063,1381 0.035,1382 7.626,1383 3.624,1384 0.412,1385 81.831,1386 0.244,1387 23.472,1388 0.831,1389 136,1390 481.468,1391 190.959,1392 457.261,1393 603.85,1394 418,1395 164,1396 404.172,1397 230.755,1398 442.534,1399 647.85,1400 412,1401 4.471}
{0 CHEMBL1426411,1 1.558,2 9.696,3 2.208,4 4.875,5 85.98,6 8.279,7 0.48,8 3.716,9 3.814,10 3.368,11 3.321,12 4.952,13 3.316,14 4.189,15 4.312,16 3.718,17 3.674,18 5.471,19 3.651,20 4.442,21 4.616,22 3.697,23 3.728,24 5.697,25 3.693,26 4.402,27 4.596,28 3.651,29 3.642,30 5.786,31 3.599,32 4.351,33 4.527,34 3.556,35 3.556,36 5.693,37 3.531,38 4.251,39 4.452,40 3.448,41 3.439,42 5.573,43 3.395,44 4.087,45 4.274,46 3.197,47 3.351,48 5.298,49 3.284,50 4.001,51 4.189,52 3.263,53 3.275,54 5.521,55 3.217,56 0.048,57 0.5,58 5.713,59 3.122,60 7.05,61 3.586,62 0.199,63 0.795,64 10.213,65 5.096,66 11.981,67 6.174,68 0.305,69 0.984,70 16.444,71 6.487,72 47.069,73 7.478,74 0.334,75 0.921,76 16.866,77 6.797,78 57.671,79 8.497,80 0.341,81 0.865,82 15.877,83 5.924,84 57.511,85 6.575,86 0.386,87 0.786,88 15.176,89 5.585,90 48.988,91 6.915,92 0.258,93 0.661,94 12.223,95 4.791,96 44.93,97 5.533,98 0.297,99 0.589,100 11.246,101 4.77,102 69.514,103 6.153,104 10,105 34,106 0.277,107 0.546,108 0.685,109 0.803,110 0.841,111 0.841,112 3.188,113 0.856,114 -3.89,115 -3.85,116 -3.65,120 48.6,122 1,136 2,143 9,144 1,145 2,159 3,174 10,176 2,177 7,180 1,182 3,185 11,189 4,194 2,197 6,200 1,201 9,204 1,206 3,209 7,214 5,219 2,222 5,226 1,227 5,230 2,232 3,235 8,240 1,247 7,251 2,252 6,260 8,264 4,271 5,274 724,275 15.499,276 15.499,277 15.499,278 15.499,279 15.499,280 13.529,281 20.172,282 9.308,283 15.579,284 12.361,285 12.361,286 12.361,287 12.361,288 12.361,289 9.29,290 29.152,291 4.449,292 12.465,293 3.652,294 2.144,295 1.366,296 0.703,297 0.486,298 0.486,299 3.868,305 1,306 1,307 1,308 478,309 2.828,312 64.401,313 159.051,320 1.561,321 29.458,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50,333 223,334 4.396,335 3.874,336 6.731,337 4.106,338 3.141,339 3.849,340 1.987,341 10.864,342 3.025,343 4.015,344 3.628,345 5.611,346 3.684,347 2.69,348 3.485,349 1.349,350 7.742,351 2.669,352 3.894,353 3.205,354 5.409,355 3.486,356 2.492,357 3.384,358 0.8,359 7.131,360 2.471,361 3.523,362 2.733,363 5.024,364 3.111,365 2.103,366 2.783,367 0.324,368 5.835,369 2.11,370 3.214,371 2.6,372 4.732,373 2.795,374 1.772,375 2.4,377 4.804,378 1.822,379 3.196,380 2.207,381 4.59,382 2.773,383 1.732,384 2.303,386 4.726,387 1.764,388 2.85,389 1.561,390 3.755,391 2.395,392 1.391,393 1.985,395 3.002,396 1.394,397 2.686,398 1.325,399 3.567,400 2.199,401 1.203,402 1.75,404 2.704,405 1.197,406 2.5,407 1.103,408 3.467,409 2,410 1,411 1.5,413 2.136,414 1,415 2.436,416 1,417 3.247,418 1.801,419 0.819,420 1.181,422 2.124,423 0.802,424 1.498,425 0.869,426 2.867,427 0.973,433 1.216,434 0.682,435 2.546,436 0.912,437 -0.169,438 -0.271,440 -0.388,441 -0.179,442 1.15,443 0.287,444 2.245,445 0.706,446 -0.332,447 -0.455,449 -0.785,450 -0.341,451 0.598,452 -0.046,453 2,454 0.13,455 -0.881,456 -1.251,458 -2.191,459 -0.888,460 0.529,461 -0.47,462 1.746,463 0.099,464 -1,465 -1.303,467 -2.283,468 -0.987,469 10.8,470 0.47,471 0.541,472 0.024,473 33.5,474 1.457,475 19,476 0.826,477 14.5,478 0.63,479 13.432,480 0.584,481 23.4,482 0.632,483 24.319,484 1.057,485 6.957,486 0.302,487 4.174,488 0.181,489 0.093,491 0.315,496 0.604,497 1.16,498 0.676,499 0.946,500 0.521,501 0.843,502 0.469,503 1.249,504 0.804,505 1.12,506 0.55,507 1.056,508 1.186,509 1.035,510 1.103,511 1.009,512 1.087,513 1.019,514 0.801,515 1.019,516 0.842,517 1.025,518 0.75,519 0.96,520 1.488,521 1.042,522 1.161,523 0.991,524 1.451,525 0.998,526 0.995,527 0.927,528 0.943,529 0.896,530 1.091,531 0.912,532 1.264,533 0.849,534 1.228,535 0.947,536 1.254,537 1.048,538 0.455,539 0.984,540 0.752,541 1.039,542 0.481,543 0.981,544 4.5,545 0.077,546 2,547 2.035,548 0.823,549 0.583,550 0.402,551 0.216,552 0.144,553 0.137,554 5856,555 18044,556 2.067,557 37.8,559 11,562 1,563 2,567 1.655,568 1.944,569 3.248,570 -0.326,571 1,572 1,574 1,575 57.633,576 1.558,577 3.065,578 3.844,579 4.507,580 4.723,581 4.723,582 2.682,583 3.915,584 4.498,585 3.439,586 870.025,587 7.732,588 10090.2,589 1,590 1,592 1,593 192.75,594 1.371,595 4.458,596 0.18,597 0.006,598 0.059,599 0.064,600 0.027,601 0.022,602 0.017,603 0.011,604 0.007,605 0.01,606 0.402,607 0.33,608 1,609 0.58,610 108.418,611 -0.04,612 -0.094,613 0.027,614 -0.011,615 -0.049,616 0.016,617 0.209,618 -0.198,619 -0.022,620 -0.186,621 0.038,622 -0.173,623 -0.191,624 -0.013,625 -0.159,626 -0.067,627 -0.135,628 -0.09,629 0.137,630 -0.059,631 0.157,632 -0.045,633 0.189,634 0.039,635 -0.255,636 -0.052,637 -0.156,638 -0.042,639 -0.196,640 -0.068,641 0.095,642 0.057,643 0.096,644 0.07,645 -0.015,646 0.072,647 -0.24,648 0.121,649 -0.245,650 0.027,651 -0.218,652 -0.076,653 0.432,654 -0.078,655 0.242,656 -0.027,657 0.459,658 0.05,659 2.053,660 5.072,661 0.739,662 18.234,663 1.013,664 1.111,665 2.66,666 7.074,667 0.701,668 3.258,669 3.555,670 3.784,671 4.043,672 4.111,673 4.06,674 4.143,675 4.234,676 4.127,677 4.205,678 5.964,679 0.685,680 306.34,681 3.258,682 4.779,683 5.609,684 6.475,685 7.319,686 8.191,687 9.04,688 9.914,689 10.768,690 11.644,691 5.4,698 2,709 9,714 3,716 12,738 37,739 16,740 2,741 25,743 39,744 18,745 12,746 3,747 9,748 4,752 3,753 3,766 1,768 17,769 1,772 4,778 3,780 2,782 3,785 1,786 1,789 14,790 5,791 1,792 5,797 2,800 1,803 1,804 3,822 1,823 2,838 1,845 2,855 3,862 23,869 1,871 1,875 1,886 8.1,889 3,893 11.833,894 6.617,895 5.083,896 2.094,898 2.602,899 1.384,900 0.992,901 4.244,902 9.372,903 3.584,904 4.111,905 4.595,906 5.125,907 5.546,908 5.537,909 5.847,910 6.201,911 6.185,912 6.488,913 1,914 32,915 8.512,917 3.672,918 8.065,919 15.716,921 12.648,924 2.565,925 59,929 153.024,930 129.586,931 21.135,933 75.435,936 129.586,937 228.459,938 21.135,940 23.67,941 104.239,942 89.549,943 8.699,945 153.024,947 153.024,948 150.721,949 75.435,952 153.024,953 75.435,956 23.67,957 108.099,958 18.952,960 153.024,961 96.57,962 129.586,965 153.024,966 25.348,967 107.363,968 18.011,969 75.435,970 153.024,971 96.57,972 129.586,973 0.576,974 0.33,975 0.185,976 0.09,977 16,978 7,979 0.103,980 4,982 1,983 3.579,984 176.873,986 17,987 94.042,993 15.042,994 6.489,995 3.486,997 96.57,998 16.051,1003 1.883,1005 18.011,1006 379.18,1007 35,1013 35.454,1015 2.45,1017 -0.934,1020 37.487,1021 41.116,1022 0.299,1023 0.588,1024 0.738,1025 0.865,1026 0.907,1027 0.907,1028 4.796,1029 1.203,1030 5.58,1031 3.002,1032 4.234,1033 4.796,1034 2.547,1035 6.354,1036 4.216,1037 5.985,1038 1,1039 7.112,1040 2.704,1041 3.761,1042 4.425,1043 1.668,1044 7.186,1045 3.728,1046 7.267,1047 0.819,1048 8.746,1049 2.136,1050 5.784,1051 6.86,1052 3.36,1053 10.296,1054 5.721,1055 8.58,1057 10.441,1058 2.124,1059 6.133,1060 7.236,1061 3.231,1062 12.031,1063 6.031,1064 9.922,1065 -0.169,1066 12.18,1068 7.625,1069 9.166,1070 4.438,1071 14.651,1072 7.5,1073 11.284,1074 -0.332,1075 13.95,1076 -0.388,1077 8.376,1078 9.919,1079 4.692,1080 16.774,1081 8.199,1082 12.663,1083 -0.881,1084 15.746,1085 -0.785,1086 9.644,1087 11.603,1088 5.659,1089 19.232,1090 9.443,1091 3.141,1092 -1,1093 17.561,1094 -2.191,1095 10.592,1096 12.57,1097 6.111,1098 21.514,1099 10.338,1100 2.69,1101 10.864,1102 19.394,1103 -2.283,1104 11.769,1105 14.116,1106 6.953,1107 23.92,1108 11.484,1109 2.492,1110 7.742,1111 21.24,1112 3.849,1113 12.812,1114 15.213,1115 7.511,1116 26.264,1117 12.477,1118 2.103,1119 7.131,1120 23.097,1121 3.485,1122 13.954,1123 16.677,1124 8.285,1125 28.655,1126 13.585,1127 1.772,1128 5.835,1129 24.964,1130 3.384,1131 15.044,1132 17.857,1133 8.9,1134 31.024,1135 14.626,1136 1.732,1137 4.804,1138 26.838,1139 2.783,1140 16.176,1141 19.269,1142 9.636,1143 33.41,1144 15.721,1145 1.391,1146 4.726,1147 28.718,1148 2.4,1149 17.289,1150 20.503,1151 10.282,1152 35.788,1153 16.788,1154 5670,1155 10082,1156 16.701,1157 25.943,1158 37.621,1159 39.435,1160 38.159,1161 36.619,1162 36.688,1163 49.238,1164 8.919,1165 102.133,1166 36.508,1167 5.27,1168 5.874,1169 6.533,1170 5.146,1171 5.141,1172 6.849,1173 3.497,1174 17.666,1175 5.025,1176 10.238,1177 1.505,1178 1.577,1179 1.526,1180 1.465,1181 1.468,1182 1.97,1183 0.357,1184 4.085,1185 1.46,1186 3.995,1187 4.025,1188 3.95,1189 3.896,1190 7.449,1191 3.901,1192 3.904,1193 3.933,1194 3.838,1195 3.833,1196 7.428,1197 3.831,1198 3.737,1199 3.761,1200 3.684,1201 3.599,1202 7.408,1203 3.617,1204 3.451,1205 3.485,1206 3.374,1207 3.262,1208 4.765,1209 3.281,1210 2.957,1211 3.03,1212 2.854,1213 2.807,1214 4.726,1215 2.807,1216 2.871,1217 2.935,1218 2.834,1219 2.744,1220 4.223,1221 2.736,1222 2.864,1223 2.925,1224 2.744,1225 2.735,1226 3.943,1227 2.715,1228 2.854,1229 2.821,1230 2.687,1231 2.533,1232 3.704,1233 2.607,1234 0.176,1235 0.155,1236 0.269,1237 0.164,1238 0.126,1239 4.396,1240 0.154,1241 3.874,1242 0.079,1243 6.731,1244 0.435,1245 4.106,1246 0.121,1247 3.141,1248 3.849,1249 1.987,1250 10.864,1251 3.025,1252 1.928,1253 1.899,1254 2.049,1255 2.032,1256 1.167,1257 2.035,1258 1.883,1259 1.855,1260 1.989,1261 1.974,1262 1.084,1263 1.983,1264 1.5,1265 1.478,1266 1.645,1267 1.649,1268 0.709,1269 1.644,1270 1.399,1271 1.361,1272 1.581,1273 1.64,1274 0.645,1275 1.611,1276 1.234,1277 1.213,1278 1.306,1279 1.498,1280 0.338,1281 1.445,1282 0.936,1283 0.873,1284 1.185,1285 1.15,1286 0.233,1287 1.17,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.735,1295 0.692,1296 0.974,1297 0.941,1298 0.016,1299 0.96,1300 3.932,1302 5.231,1303 2.398,1304 6.715,1305 4.727,1306 8.283,1307 6.783,1308 9.894,1315 0.258,1317 2.775,1321 1.062,1326 25.348,1327 57.633,1328 113.412,1329 142.22,1330 166.75,1331 174.75,1332 174.75,1333 46,1334 6.771,1335 68.17,1336 68.17,1337 17,1338 12.188,1339 4.087,1340 3.459,1341 36.94,1342 82,1343 79,1344 0.219,1345 157.556,1346 283.05,1347 376.196,1348 7533,1350 16.234,1351 0.706,1352 0.532,1353 16.234,1354 12.23,1355 11.131,1356 0.445,1357 0.285,1358 7.052,1359 10.769,1360 6.917,1361 5.739,1362 11.131,1363 7.133,1364 9.983,1365 0.294,1366 0.15,1367 9.983,1368 5.106,1369 7.955,1370 0.185,1371 0.079,1372 7.955,1373 3.405,1374 6.954,1375 0.124,1376 0.042,1377 6.954,1378 2.364,1379 4.923,1380 0.082,1381 0.023,1382 4.923,1383 1.401,1384 0.345,1385 69.426,1386 0.245,1387 22.745,1388 0.594,1389 118,1390 389.185,1391 129.778,1392 375.718,1393 500.03,1394 348,1395 136,1396 356.388,1397 146.644,1398 359.955,1399 522.06,1400 339,1401 4.721}
{0 CHEMBL1426814,1 1.804,2 9.682,3 3.061,4 9.368,5 82.883,6 9.305,7 0.667,8 3.674,9 3.739,10 3.477,11 3.246,12 4.932,13 3.244,14 4.137,15 4.233,16 3.824,17 3.548,18 5.372,19 3.544,20 4.18,21 4.297,22 3.796,23 3.532,24 5.44,25 3.505,26 4.198,27 4.319,28 3.734,29 3.48,30 5.531,31 3.467,32 4.224,33 4.382,34 3.699,35 3.487,36 5.51,37 3.403,38 4.044,39 4.228,40 3.441,41 3.332,42 5.211,43 3.195,44 3.864,45 4.038,46 3.203,47 3.083,48 4.994,49 3.028,50 3.724,51 3.855,52 3.186,53 2.954,54 5.084,55 2.992,56 0.131,57 0.472,58 4.539,59 3.236,60 6.782,61 3.044,62 0.378,63 0.729,64 13.144,65 5.46,66 21.048,67 4.924,68 0.459,69 0.74,70 12.563,71 5.599,72 30.635,73 5.351,74 0.505,75 0.751,76 11.502,77 5.27,78 35.981,79 4.719,80 0.555,81 0.802,82 16.596,83 6.171,84 46.056,85 5.657,86 0.366,87 0.68,88 16.496,89 6.019,90 41.327,91 5.968,92 0.398,93 0.559,94 17.096,95 5.001,96 22.777,97 4.881,98 0.326,99 0.466,100 6.268,101 2.764,102 21.882,103 2.786,104 6,105 32,106 0.329,107 0.654,108 0.796,109 0.879,110 0.89,111 0.89,112 3.146,113 0.928,114 -3.76,115 -3.72,116 -3.54,120 44.1,125 1,126 1,143 6,144 1,145 1,152 1,153 1,158 1,162 1,163 1,167 1,174 5,176 2,177 7,185 4,188 2,189 7,197 3,200 2,201 6,209 1,213 2,214 6,222 3,226 1,227 3,235 2,239 2,240 5,251 2,252 6,260 1,264 3,271 2,274 604,275 15.215,276 15.215,277 15.215,278 15.215,279 15.215,280 13.219,281 8.8,282 9.129,283 15.615,284 11.787,285 11.787,286 11.787,287 11.787,288 11.787,289 8.743,290 8.277,291 4.231,292 12.321,293 3.283,294 1.493,295 0.714,296 0.257,297 0.199,298 0.199,299 3.826,305 1,306 1,307 1,308 458,309 2.915,312 128.156,313 80.102,320 1.529,321 24.528,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49,333 213,334 4.335,335 4.461,336 6.443,337 3.973,338 2.985,339 3.967,340 3.325,341 9.898,342 2.955,343 4.295,344 3.619,345 6.183,346 3.892,347 2.919,348 3.933,349 1.133,350 9.228,351 2.844,352 3.766,353 2.927,354 5.326,355 3.307,356 2.39,357 3.276,358 0.86,359 6.865,360 2.182,361 3.436,362 2.814,363 5.037,364 3.048,365 2.06,366 2.674,368 5.683,369 2.019,370 3.05,371 2.517,372 4.354,373 2.593,374 1.654,375 2.248,377 4.23,378 1.533,379 2.917,380 1.815,381 3.927,382 2.461,383 1.494,384 2.085,386 3.269,387 1.437,388 2.585,389 1.747,390 3.591,391 2.126,392 1.148,393 1.586,395 2.753,396 1.114,397 2.363,398 1.318,399 3.327,400 1.87,401 0.899,402 1.293,404 2.094,405 0.864,406 2.118,407 1.035,408 3.206,409 1.618,410 0.618,411 0.927,413 1.545,414 0.618,415 2.118,416 0.939,417 3,418 1.608,419 0.618,420 0.927,422 1.372,423 0.611,424 1.712,425 0.618,426 2.94,427 1.387,428 0.512,429 0.591,431 0.963,432 0.442,433 1.612,434 0.618,435 2.661,436 1.2,437 0.307,438 0.378,440 0.562,441 0.264,442 0.792,443 0.271,444 2.205,445 0.376,446 -0.591,447 -0.731,449 -1.165,450 -0.552,451 0.571,452 0.066,453 2.036,454 0.109,455 -0.853,456 -1.066,458 -2.076,459 -0.766,460 0.453,461 -0.283,462 2,463 0.096,464 -0.89,465 -1.285,467 -2.289,468 -0.884,469 10.467,470 0.476,471 0.397,472 0.018,473 30.75,474 1.398,475 16.5,476 0.75,477 14.25,478 0.648,479 14.113,480 0.642,481 23.133,482 0.68,483 20.373,484 0.926,485 6.318,486 0.287,487 4.457,488 0.203,489 0.08,491 0.287,496 0.788,497 1.056,498 0.649,499 0.962,500 0.602,501 0.858,502 1.019,503 1.099,504 0.997,505 1.148,506 0.781,507 0.89,508 0.97,509 1.075,510 0.849,511 1.03,512 1.217,513 0.966,514 1.241,515 1.087,516 0.926,517 0.929,518 1.237,519 0.987,520 1.036,521 1.011,522 1.205,523 1.098,524 1.316,525 1.075,526 0.902,527 1.05,528 1.438,529 1.241,530 1.501,531 1.087,532 0.89,533 1.064,534 1.637,535 1.353,536 0.585,537 0.893,538 1.03,539 1.126,540 0.667,541 0.824,542 0.817,543 0.953,544 3.5,545 0.037,546 2.444,547 1.125,548 0.967,549 0.438,550 0.253,551 0.148,552 0.177,553 0.135,554 5420,555 18036,556 2.097,557 35.3,559 11,560 1,567 1.64,568 2,569 3.279,570 -0.672,572 1,574 1,575 61.351,576 1.804,577 3.594,578 4.374,579 4.83,580 4.889,581 4.889,582 2.681,583 4.096,584 4.435,585 3.447,586 796.167,587 7.591,588 9055.91,589 1,590 1,591 1,592 1,593 172.974,594 1.241,595 4.407,596 0.146,597 0.003,598 0.076,599 0.039,600 0.035,601 0.019,602 0.014,603 0.008,604 0.01,605 0.009,606 0.359,607 0.33,608 1,609 0.72,610 102.724,611 -0.026,612 -0.038,613 0.065,614 -0.049,615 -0.033,616 -0.026,617 -0.018,618 -0.089,619 0.008,620 -0.102,621 -0.044,622 0.012,623 0.052,624 -0.114,625 0.106,626 -0.038,627 -0.058,628 -0.035,629 -0.095,630 -0.095,631 -0.047,632 -0.02,633 -0.024,634 -0.114,635 -0.029,636 0.019,637 -0.03,638 -0.011,639 -0.016,640 -0.09,641 -0.046,642 -0.033,643 -0.044,644 0.003,645 -0.102,646 0.011,647 0.104,648 -0.027,649 -0.201,650 -0.101,651 0.129,652 0.183,653 0.063,654 -0.127,655 -0.05,656 -0.116,657 0.152,658 -0.131,659 1.736,660 5.224,661 0.727,662 17.405,663 1.03,664 1.113,665 2.525,666 6.376,667 0.714,668 3.219,669 3.497,670 3.761,671 3.97,672 3.989,673 3.97,674 3.989,675 4.025,676 4.043,677 4.043,678 6.001,679 0.698,680 316.36,681 3.219,682 4.727,683 5.565,684 6.418,685 7.269,686 8.125,687 8.979,688 9.836,689 10.691,690 11.549,691 5.9,701 2,709 7,710 2,712 2,714 5,716 16,721 1,735 1,738 34,739 17,740 1,741 24,743 36,744 15,745 12,746 2,747 4,748 1,752 3,753 3,768 13,769 2,772 1,778 1,782 1,785 1,786 1,788 1,789 12,790 6,792 7,793 1,797 2,803 1,804 4,822 2,823 1,855 3,856 1,857 1,859 1,862 22,869 1,872 1,873 1,886 11.8,889 1,891 3,893 11,894 6.567,895 5,896 1.814,898 2.739,899 1.412,900 0.966,901 4.609,902 9.393,903 3.526,904 4.094,905 4.673,906 5.207,907 5.443,908 5.633,909 5.869,910 6.062,911 6.219,912 6.282,913 1,914 29,915 8.075,917 3.369,918 7.902,919 14.996,921 11.683,924 2.402,925 52.833,929 141.253,930 140.016,931 33.326,933 55.16,935 32.22,936 107.796,937 196.413,938 33.326,939 10.883,940 0.9,941 68.597,942 68.624,943 41.829,944 17.22,945 161.702,947 141.253,948 141.122,949 55.16,950 32.22,952 141.253,953 55.16,956 9.305,957 98.491,958 33.326,959 32.22,960 141.253,961 88.486,962 140.016,965 141.253,966 60.536,967 79.48,969 88.486,970 141.253,971 88.486,972 140.016,973 0.567,974 0.343,975 0.187,976 0.085,977 15,978 6,979 0.167,980 6,982 1,983 3.556,984 163.974,986 16,987 98.107,989 1,993 14.88,994 6.814,995 3.426,997 88.486,998 12.068,999 7.759,1001 10.603,1003 2.181,1006 369.754,1007 33,1013 12.224,1017 -0.069,1020 35.007,1021 37.83,1022 0.355,1023 0.706,1024 0.86,1025 0.949,1026 0.961,1027 0.961,1028 4.718,1029 0.899,1030 5.517,1031 2.753,1032 4.174,1033 4.779,1034 3.302,1035 6.286,1036 4.1,1037 5.905,1038 0.618,1039 7.048,1040 2.094,1041 3.611,1042 4.388,1044 7.125,1045 3.532,1046 7.191,1047 0.618,1048 8.683,1049 1.545,1050 5.72,1051 6.931,1052 5.521,1053 10.204,1054 5.593,1055 8.518,1056 0.512,1057 10.381,1058 1.372,1059 6.066,1060 7.464,1062 11.911,1063 5.942,1064 9.88,1065 0.307,1066 12.121,1067 0.963,1068 7.556,1069 9.354,1070 7.904,1071 14.465,1072 7.397,1073 11.265,1074 -0.591,1075 13.889,1076 0.562,1077 8.302,1078 10.306,1080 16.502,1081 8.145,1082 12.667,1083 -0.853,1084 15.676,1085 -1.165,1086 9.551,1087 11.923,1088 10.305,1089 18.882,1090 9.369,1091 2.985,1092 -0.89,1093 17.477,1094 -2.076,1095 10.48,1096 13.081,1098 21.052,1099 10.295,1100 2.919,1101 9.898,1102 19.288,1103 -2.289,1104 11.63,1105 14.573,1106 12.708,1107 23.367,1108 11.427,1109 2.39,1110 9.228,1111 21.107,1112 3.967,1113 12.641,1114 15.833,1116 25.595,1117 12.432,1118 2.06,1119 6.865,1120 22.932,1121 3.933,1122 13.751,1123 17.265,1124 15.111,1125 27.885,1126 13.527,1127 1.654,1128 5.683,1129 24.761,1130 3.276,1131 14.8,1132 18.578,1134 30.139,1135 14.567,1136 1.494,1137 4.23,1138 26.595,1139 2.674,1140 15.894,1141 19.981,1142 17.514,1143 32.42,1144 15.646,1145 1.148,1146 3.269,1147 28.431,1148 2.248,1149 16.961,1150 21.321,1152 34.685,1153 16.703,1154 5222,1155 9694,1156 16.296,1157 24.284,1158 35.615,1159 38.158,1160 36.001,1161 35.167,1162 35.206,1163 47.769,1164 10.637,1165 96.923,1166 33.762,1167 5.215,1168 6.461,1169 6.135,1170 5.105,1171 4.985,1172 6.967,1173 6.65,1174 16.507,1175 4.955,1176 8.184,1177 1.484,1178 1.59,1179 1.5,1180 1.465,1181 1.467,1182 1.99,1183 0.443,1184 4.038,1185 1.407,1186 3.977,1187 3.984,1188 4.062,1189 3.872,1190 7.427,1191 3.872,1192 3.919,1193 3.932,1194 3.876,1195 3.762,1196 5.293,1197 3.792,1198 3.637,1199 3.654,1200 3.759,1201 3.485,1202 4.977,1203 3.457,1204 3.381,1205 3.405,1206 3.382,1207 3.18,1208 4.841,1209 3.211,1210 3.249,1211 3.315,1212 3.063,1213 2.967,1214 4.382,1215 2.976,1216 2.805,1217 2.872,1218 2.974,1219 2.725,1220 3.935,1221 2.675,1222 2.727,1223 2.778,1224 2.588,1225 2.62,1226 3.706,1227 2.584,1228 2.5,1229 2.563,1230 2.386,1231 2.37,1232 3.621,1233 2.362,1234 0.181,1235 0.186,1236 0.268,1237 0.166,1238 0.124,1239 4.335,1240 0.165,1241 4.461,1242 0.139,1243 6.443,1244 0.412,1245 3.973,1246 0.123,1247 2.985,1248 3.967,1249 3.325,1250 9.898,1251 2.955,1252 1.903,1253 1.887,1254 2.001,1255 1.998,1256 1.106,1257 1.999,1258 1.534,1259 1.518,1260 1.669,1261 1.709,1262 0.798,1263 1.668,1264 1.419,1265 1.404,1266 1.573,1267 1.586,1268 0.727,1269 1.593,1270 1.337,1271 1.325,1272 1.528,1273 1.57,1274 0.574,1275 1.561,1276 1.197,1277 1.124,1278 1.44,1279 1.51,1280 0.377,1281 1.531,1282 1.035,1283 1.02,1284 1.124,1285 1.335,1286 0.192,1287 1.259,1288 0.817,1289 0.748,1290 0.996,1291 1.085,1292 0.105,1293 1.048,1294 0.702,1295 0.657,1296 0.914,1297 1.005,1299 1.002,1300 3.892,1302 5.176,1303 3.045,1304 6.645,1305 5.209,1306 8.198,1307 7.14,1308 9.796,1310 1.535,1315 0.181,1318 5.178,1319 1.174,1326 23.723,1327 61.351,1328 122.203,1329 148.709,1330 164.219,1331 166.219,1332 166.219,1333 33.65,1334 6.654,1335 78.36,1336 103.66,1337 16,1338 12.101,1339 4.17,1340 3.322,1341 34.678,1342 81,1343 62,1344 0.212,1345 149.761,1346 252.83,1347 357.176,1348 6570,1350 15.364,1351 0.698,1352 0.568,1353 15.717,1354 12.501,1355 10.775,1356 0.449,1357 0.309,1358 6.386,1359 9.748,1360 6.155,1361 5.12,1362 11.229,1363 7.426,1364 9.155,1365 0.286,1366 0.162,1367 9.732,1368 5.189,1369 7.902,1370 0.188,1371 0.088,1372 8.602,1373 3.691,1374 6.438,1375 0.124,1376 0.048,1377 7.091,1378 2.494,1379 4.379,1380 0.083,1381 0.029,1382 5.115,1383 1.546,1384 0.337,1385 73.518,1386 0.248,1387 22.034,1388 0.565,1389 112,1390 431.093,1391 152.344,1392 419.807,1393 566.21,1394 394,1395 130,1396 400.337,1397 166.352,1398 409.96,1399 597.59,1400 382,1401 4.187}
{0 CHEMBL1426833,1 1.806,2 12.25,3 4.52,4 20.428,5 114.044,6 9.042,7 0.4,8 3.931,9 4.026,10 3.697,11 3.543,12 5.139,13 3.508,14 4.414,15 4.552,16 4.099,17 3.894,18 5.618,19 3.845,20 4.563,21 4.704,22 4.217,23 4.01,24 5.775,25 3.933,26 4.714,27 4.907,28 4.039,29 3.919,30 5.951,31 3.836,32 4.542,33 4.736,34 3.989,35 3.853,36 5.74,37 3.761,38 4.521,39 4.704,40 3.968,41 3.866,42 5.7,43 3.742,44 4.347,45 4.488,46 4.039,47 3.814,48 5.575,49 3.706,50 4.406,51 4.562,52 4.084,53 3.695,54 5.873,55 3.622,56 0.095,57 0.648,58 6.871,59 4.122,60 7.57,61 4.607,62 0.423,63 1.011,64 16.548,65 6.768,66 27.994,67 7.583,68 0.211,69 1.145,70 21.394,71 8.512,72 21.019,73 9.65,74 0.69,75 1.268,76 31.426,77 9.493,78 79.32,79 10.321,80 0.428,81 1.099,82 22.163,83 8.289,84 45.404,85 9.561,86 0.586,87 1.019,88 27.679,89 8.96,90 57.933,91 9.596,92 0.245,93 0.896,94 19.903,95 7.789,96 29.949,97 8.046,98 0.685,99 0.916,100 30.762,101 8.384,102 78.808,103 8.057,104 28,105 41,106 0.308,107 0.644,108 0.786,109 0.875,110 0.9,111 0.9,112 3.374,113 0.96,114 -4.61,115 -4.53,116 -4.27,120 43.5,121 1,125 1,126 1,139 1,140 1,143 8,144 3,145 1,155 1,159 1,160 1,170 1,174 11,176 2,177 6,182 2,185 11,189 9,194 3,197 8,200 1,201 12,206 2,209 3,213 1,214 6,217 1,219 1,222 4,226 2,227 3,230 1,235 6,240 5,245 1,247 7,251 2,252 11,257 2,260 4,264 5,269 2,271 3,274 1312,275 18.784,276 18.784,277 18.784,278 18.784,279 18.784,280 16.515,281 17.868,282 11.058,283 19.377,284 14.695,285 14.695,286 14.695,287 14.695,288 14.695,289 11.256,290 16.206,291 5.13,292 15.594,293 3.718,294 1.751,295 0.919,296 0.397,297 0.25,298 0.25,299 4.053,304 1,306 1,307 1,308 721,309 3.464,312 84.31,313 207.878,320 2.179,321 30.312,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.833,333 343,334 4.431,335 4.832,336 6.653,337 4.037,338 3.153,339 3.844,340 4.341,341 10.586,342 2.851,343 4.204,344 3.651,345 6.057,346 3.822,347 2.833,348 3.782,349 1.674,350 8.725,351 2.75,352 4.162,353 3.512,354 6.021,355 3.776,356 2.792,357 3.749,358 1.108,359 8.547,360 2.694,361 3.673,362 3.081,363 5.497,364 3.308,365 2.336,366 2.973,367 0.515,368 7.042,369 2.255,370 3.47,371 2.954,372 5.186,373 2.999,374 2.045,375 2.658,376 0.392,377 6.119,378 1.918,379 3.055,380 2.641,381 4.647,382 2.595,383 1.661,384 2.167,386 4.538,387 1.555,388 2.909,389 2.009,390 4.226,391 2.489,392 1.568,393 2.018,395 3.968,396 1.428,397 2.862,398 1.915,399 4.077,400 2.414,401 1.414,402 1.997,404 3.447,405 1.414,406 2.789,407 1.606,408 3.618,409 2.336,410 1.409,411 1.826,413 2.998,414 1.23,415 2.57,416 1.485,417 3.513,418 2.083,419 1.106,420 1.567,422 2.496,423 1.072,424 2.441,425 1.461,426 3.461,427 1.974,428 1.033,429 1.352,431 2.381,432 0.96,433 1.607,434 1.415,435 3.107,436 1.284,437 0.401,438 0.453,440 1.002,441 0.316,442 1.471,443 1.342,444 2.722,445 1.113,446 0.188,447 0.223,449 0.249,450 0.169,451 1.399,452 1.154,453 2.48,454 0.988,455 0.061,456 0.076,458 0.14,459 0.055,460 0.932,461 0.461,462 2.32,463 0.577,464 -0.377,465 -0.43,467 -0.891,468 -0.333,469 13.748,470 0.491,471 0.682,472 0.024,473 36,474 1.286,475 18.5,476 0.661,477 17.5,478 0.625,479 23.096,480 0.825,481 29.452,482 0.64,483 27.345,484 0.977,485 7.465,486 0.267,487 6.026,488 0.215,489 0.173,491 0.32,496 0.667,497 1.115,498 0.617,499 0.877,500 0.551,501 0.848,502 0.716,503 0.989,504 0.683,505 0.831,506 0.596,507 0.782,508 0.762,509 1.427,510 0.785,511 1.144,512 0.745,513 1.115,514 1.3,515 1.034,516 1.175,517 1.031,518 1.331,519 1.035,520 0.892,521 0.953,522 0.838,523 0.889,524 0.884,525 0.911,526 1.217,527 0.722,528 1.31,529 0.886,530 1.292,531 0.877,532 1.08,533 1.173,534 1.248,535 1.164,536 1.11,537 0.986,538 1.009,539 1.124,540 1.563,541 1.418,542 0.914,543 0.923,544 5.5,545 0.103,546 3.556,547 2.389,548 1.289,549 0.768,550 0.54,551 0.531,552 0.374,553 0.159,554 10139,555 33037,556 2.013,557 39.1,558 3,559 13,561 1,562 1,567 1.708,568 1.867,569 3.548,570 -0.288,575 83.077,576 1.806,577 3.773,578 4.605,579 5.127,580 5.273,581 5.273,582 3.04,583 4.736,584 4.777,585 3.758,586 1420.64,587 8.294,588 19489.8,590 1,593 254.084,594 1.47,595 4.727,596 0.183,597 0.006,598 0.087,599 0.057,600 0.037,601 0.023,602 0.017,603 0.016,604 0.012,605 0.007,606 0.444,607 0.17,608 1,609 0.959,610 142.861,611 -0.005,612 -0.019,613 0.035,614 0.006,615 -0.044,616 0.004,617 0.15,618 0.083,619 0.135,620 0.115,621 0.053,622 0.119,623 0.004,624 -0.408,625 0.099,626 -0.199,627 0.013,628 -0.184,629 -0.134,630 -0.028,631 -0.122,632 -0.082,633 -0.11,634 -0.088,635 0.022,636 0.067,637 0.092,638 0.072,639 0.018,640 0.058,641 -0.089,642 0.264,643 -0.069,644 0.213,645 -0.146,646 0.127,647 -0.106,648 -0.148,649 0.03,650 0.01,651 -0.071,652 0.003,653 0.33,654 -0.071,655 0.024,656 -0.149,657 0.408,658 0.077,659 2.097,660 5.351,661 0.607,662 29.99,663 1.016,664 1.115,665 3.383,666 11.442,667 0.717,668 3.434,669 3.738,670 3.989,671 4.174,672 4.304,673 4.248,674 4.369,675 4.477,676 4.554,677 4.595,678 7.255,679 0.683,680 415.93,681 3.434,682 4.963,683 5.802,684 6.663,685 7.518,686 8.383,687 9.244,688 10.111,689 10.977,690 11.846,691 6.5,696 1,698 1,700 1,709 8,714 4,716 12,726 1,738 46,739 16,740 2,741 30,743 48,744 20,745 12,746 4,747 8,748 4,749 1,752 3,753 3,754 1,755 1,759 1,768 17,769 3,771 1,772 4,778 2,780 1,781 1,782 4,786 1,789 18,790 6,791 1,792 8,793 2,797 3,803 1,804 3,822 1,823 2,845 1,852 1,855 3,857 1,859 2,860 1,862 28,869 1,871 1,872 1,873 1,875 1,885 1,886 6.5,889 2,891 1,893 15,894 8.96,895 6.306,896 2.491,898 3.072,899 1.426,900 0.966,901 6.783,902 10.287,903 3.714,904 4.263,905 4.762,906 5.226,907 5.659,908 5.679,909 5.987,910 6.271,911 6.594,912 6.885,913 1,914 42,915 10.313,917 4.308,918 7.921,919 19.231,921 15.154,924 2.421,925 67.778,928 1,929 200.109,930 166.088,931 37.676,932 39.149,933 61.29,935 32.22,936 133.868,937 300.547,938 37.676,939 19.708,940 5.23,941 75.81,942 97.739,943 43.048,944 42.218,945 220.557,947 200.109,948 171.544,949 61.29,950 71.368,952 200.109,953 61.29,956 30.718,957 112.339,958 28.486,959 71.368,960 200.109,961 98.965,962 205.237,965 200.109,966 61.522,967 107.69,968 17.888,969 117.101,970 200.109,971 98.965,972 205.237,973 0.578,974 0.347,975 0.175,976 0.088,977 18,978 9,979 0.146,980 7,982 1,983 3.99,984 228.99,986 17,987 132.606,989 1,993 20.461,994 9.282,995 4.972,997 98.965,998 14.639,1003 3.123,1005 17.888,1006 504.311,1007 40,1013 24.027,1015 1.53,1016 4.181,1017 0.22,1020 46.756,1021 51.309,1022 0.327,1023 0.683,1024 0.834,1025 0.928,1026 0.955,1027 0.955,1028 4.942,1029 1.414,1030 5.784,1031 3.968,1032 4.419,1033 4.949,1034 3.811,1035 6.575,1036 4.305,1037 6.143,1038 1.409,1039 7.34,1040 3.447,1041 4.007,1042 4.691,1043 2.911,1044 7.452,1045 3.816,1046 7.444,1047 1.106,1048 8.997,1049 2.998,1050 5.999,1051 7.063,1052 6.447,1053 10.532,1054 5.778,1055 8.779,1056 1.033,1057 10.712,1058 2.496,1059 6.415,1060 7.59,1061 6.254,1062 12.236,1063 6.091,1064 10.145,1065 0.401,1066 12.464,1067 2.381,1068 7.874,1069 9.445,1070 9.29,1071 14.826,1072 7.526,1073 11.532,1074 0.188,1075 14.242,1076 1.002,1077 8.668,1078 10.34,1079 9.45,1080 16.878,1081 8.207,1082 12.935,1083 0.061,1084 16.037,1085 0.249,1086 9.915,1087 11.961,1088 12.163,1089 19.297,1090 9.42,1091 3.153,1092 -0.377,1093 17.846,1094 0.14,1095 10.882,1096 13.046,1097 12.564,1098 21.505,1099 10.276,1100 2.833,1101 10.586,1102 19.665,1103 -0.891,1104 12.046,1105 14.546,1106 15.045,1107 23.866,1108 11.387,1109 2.792,1110 8.725,1111 21.493,1112 3.844,1113 13.093,1114 15.734,1115 15.63,1116 26.147,1117 12.328,1118 2.336,1119 8.547,1120 23.329,1121 3.782,1122 14.225,1123 17.167,1124 17.934,1125 28.492,1126 13.392,1127 2.045,1128 7.042,1129 25.17,1130 3.749,1131 15.311,1132 18.414,1133 18.664,1134 30.807,1135 14.375,1136 1.661,1137 6.119,1138 27.017,1139 2.973,1140 16.434,1141 19.808,1142 20.828,1143 33.151,1144 15.419,1145 1.568,1146 4.538,1147 28.869,1148 2.658,1149 17.539,1150 21.09,1151 21.676,1152 35.484,1153 16.423,1154 9939,1155 18134,1156 19.592,1157 32.977,1158 44.751,1159 49.467,1160 46.527,1161 44.024,1162 43.999,1163 57.369,1164 16.06,1165 124.478,1166 41.336,1167 5.337,1168 6.832,1169 6.346,1170 5.168,1171 5.153,1172 6.844,1173 8.339,1174 17.493,1175 4.851,1176 15.514,1177 1.492,1178 1.649,1179 1.551,1180 1.467,1181 1.467,1182 1.912,1183 0.535,1184 4.149,1185 1.378,1186 3.98,1187 4.007,1188 4.167,1189 3.906,1190 7.433,1191 3.902,1192 3.918,1193 3.95,1194 3.872,1195 3.85,1196 7.426,1197 3.846,1198 3.762,1199 3.773,1200 3.855,1201 3.71,1202 4.914,1203 3.671,1204 3.421,1205 3.449,1206 3.436,1207 3.167,1208 4.771,1209 3.201,1210 3.3,1211 3.37,1212 3.347,1213 3.039,1214 4.705,1215 3.064,1216 3.17,1217 3.257,1218 3.235,1219 3.014,1220 4.526,1221 2.997,1222 3.046,1223 3.106,1224 2.985,1225 2.886,1226 4.466,1227 2.873,1228 2.958,1229 3.018,1230 2.958,1231 2.774,1232 3.899,1233 2.758,1234 0.148,1235 0.161,1236 0.222,1237 0.135,1238 0.105,1239 4.431,1240 0.128,1241 4.832,1242 0.145,1243 6.653,1244 0.353,1245 4.037,1246 0.095,1247 3.153,1248 3.844,1249 4.341,1250 10.586,1251 2.851,1252 1.926,1253 1.905,1254 2.034,1255 2.018,1256 1.179,1257 2.023,1258 1.912,1259 1.882,1260 2.03,1261 2.009,1262 1.132,1263 2.017,1264 1.532,1265 1.509,1266 1.615,1267 1.705,1268 0.774,1269 1.684,1270 1.356,1271 1.332,1272 1.571,1273 1.614,1274 0.612,1275 1.6,1276 1.24,1277 1.201,1278 1.552,1279 1.525,1280 0.603,1281 1.517,1282 1.208,1283 1.129,1284 1.457,1285 1.418,1286 0.573,1287 1.469,1288 0.983,1289 0.935,1290 1.184,1291 1.193,1292 0.228,1293 1.194,1294 0.962,1295 0.906,1296 1.16,1297 1.181,1298 0.226,1299 1.184,1300 4.111,1302 5.416,1303 2.398,1304 6.911,1305 4.844,1306 8.487,1307 6.986,1308 10.103,1310 3.3,1311 6.385,1315 0.248,1317 2.948,1318 4.726,1319 1.009,1321 1.442,1326 31.438,1327 83.077,1328 173.555,1329 211.819,1330 235.819,1331 242.574,1332 242.574,1333 58.347,1334 7.215,1335 72.69,1336 100.93,1337 17,1338 12.39,1339 4.087,1340 3.459,1341 49.866,1342 121,1343 112,1344 0.199,1345 202.999,1346 362.37,1347 487.076,1348 13658,1349 2.2,1350 20.096,1351 0.718,1352 0.603,1353 20.949,1354 16.881,1355 13.49,1356 0.45,1357 0.32,1358 8.379,1359 12.284,1360 8.002,1361 6.699,1362 14.187,1363 9.599,1364 11.863,1365 0.289,1366 0.179,1367 12.898,1368 7.337,1369 10.141,1370 0.191,1371 0.104,1372 11.426,1373 5.492,1374 7.808,1375 0.122,1376 0.057,1377 9.067,1378 3.679,1379 5.936,1380 0.081,1381 0.032,1382 6.982,1383 2.302,1384 0.318,1385 91.962,1386 0.226,1387 27.165,1388 0.528,1389 142,1390 479.893,1391 198.732,1392 510.732,1393 674.28,1394 474,1395 165,1396 444.044,1397 217.58,1398 478.41,1399 695.55,1400 444,1401 4.213}
{0 CHEMBL1427265,1 1.699,2 10.261,3 2.308,4 5.325,5 88.472,6 8.564,7 0.615,8 3.77,9 3.864,10 3.515,11 3.4,12 4.881,13 3.366,14 4.3,15 4.429,16 3.922,17 3.783,18 5.406,19 3.731,20 4.506,21 4.703,22 3.853,23 3.808,24 5.618,25 3.71,26 4.367,27 4.57,28 3.703,29 3.683,30 5.466,31 3.579,32 4.212,33 4.387,34 3.474,35 3.534,36 5.378,37 3.456,38 4.126,39 4.304,40 3.421,41 3.484,42 5.195,43 3.411,44 4.15,45 4.361,46 3.235,47 3.456,48 5.078,49 3.32,50 4.052,51 4.313,52 3.141,53 3.23,54 4.979,55 3.067,56 0.037,57 0.558,58 6.484,59 3.498,60 5.952,61 3.942,62 0.197,63 0.938,64 14.008,65 5.972,66 20.026,67 6.791,68 0.452,69 1.103,70 20.463,71 7.828,72 44.658,73 9.095,74 0.264,75 0.988,76 21.896,77 7.523,78 31.901,79 8.159,80 0.269,81 0.81,82 16.676,83 5.936,84 38.579,85 6.231,86 0.193,87 0.734,88 12.217,89 5.128,90 22.561,91 6.264,92 0.145,93 0.754,94 13.968,95 5.834,96 16.757,97 7.269,98 0.196,99 0.666,100 15.087,101 5.718,102 22.829,103 7.557,104 2,105 36,106 0.301,107 0.656,108 0.792,109 0.865,110 0.865,111 0.865,112 3.188,113 0.964,114 -2.45,115 -2.48,116 -2.43,120 44.7,122 2,126 1,128 1,143 6,144 1,145 1,146 1,147 1,159 1,162 2,174 6,177 7,180 1,182 2,185 5,188 2,189 5,192 1,194 3,197 5,201 6,206 2,209 4,214 6,222 5,227 5,230 1,232 1,235 8,240 1,247 5,251 1,252 1,255 1,257 1,260 1,263 1,264 2,269 1,271 1,274 649,275 15.947,276 15.947,277 15.947,278 15.947,279 15.947,280 14.019,281 10.533,282 9.501,283 16.398,284 12.87,285 12.87,286 12.87,287 12.87,288 12.87,289 9.927,290 13.17,291 4.548,292 13.649,293 3.549,294 1.548,295 0.777,296 0.368,297 0.368,298 0.368,299 3.889,305 1,306 1,307 1,308 529,309 2.646,312 118.811,313 138.673,316 98.06,320 1.815,321 20.427,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49.5,333 236,334 4.509,335 3.773,336 6.372,337 3.976,338 3.061,339 4.437,340 2.03,341 9.883,342 2.821,343 4.111,344 3.061,345 6.055,346 3.808,347 2.841,348 3.713,349 0.892,350 8.708,351 2.725,352 3.941,353 2.7,354 5.905,355 3.587,356 2.617,357 3.201,358 0.141,359 8.237,360 2.528,361 3.598,362 2.572,363 5.302,364 3.239,365 2.286,366 2.909,368 6.8,369 2.173,370 3.032,371 2.328,372 4.414,373 2.663,374 1.689,375 2.298,377 4.312,378 1.629,379 3.032,380 1.547,381 4.341,382 2.467,383 1.532,384 2.268,386 4.155,387 1.438,388 2.88,389 1.532,390 4.153,391 2.426,392 1.508,393 1.894,395 3.695,396 1.353,397 2.636,398 1.355,399 3.591,400 2.104,401 1.17,402 1.688,404 2.831,405 1.076,406 2.5,407 1.203,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 1.894,416 1,417 3.227,418 1.74,419 0.77,420 0.828,422 1.848,423 0.736,424 1.847,425 0.963,426 3,427 1.515,428 0.618,429 0.618,431 1.372,432 0.548,433 1.618,434 0.507,435 3,436 1.218,437 0.347,438 0.521,440 0.86,441 0.297,442 1.301,443 0.347,444 2.667,445 0.902,446 -0.085,447 -0.109,449 -0.209,450 -0.083,451 0.744,452 -0.289,453 2.36,454 0.27,455 -0.704,456 -0.946,458 -1.795,459 -0.668,460 0.579,461 -0.695,462 2,463 0.089,464 -0.896,465 -1.273,467 -2.151,468 -0.862,469 11.2,470 0.487,471 0.465,472 0.02,473 31.25,474 1.359,475 16,476 0.696,477 15.25,478 0.663,479 16.371,480 0.712,481 23.6,482 0.621,483 19.629,484 0.853,485 5.881,486 0.256,487 5.412,488 0.235,489 0.03,491 0.313,496 0.761,497 1.134,498 0.683,499 0.884,500 0.585,501 0.83,502 0.975,503 1.22,504 0.827,505 1.016,506 0.689,507 0.957,508 1.05,509 0.9,510 0.881,511 0.794,512 1.01,513 0.897,514 1.198,515 0.987,516 1.278,517 1.068,518 1.346,519 0.906,520 1.574,521 0.917,522 1.291,523 1.014,524 2.045,525 0.992,526 1.032,527 0.94,528 0.791,529 0.901,530 1.028,531 1.028,532 0.755,533 1.095,534 0.993,535 1.097,536 0.601,537 1.223,538 0.318,539 0.909,540 0.676,541 0.97,542 0.509,543 1.005,544 4,545 0.093,546 2.444,547 1.069,548 1.179,549 0.521,550 0.163,551 0.253,552 0.149,553 0.089,554 6664,555 18270,556 2.196,557 39.5,559 9,561 1,562 1,564 4,567 1.65,568 2.123,569 3.354,570 -0.284,571 1,572 1,574 1,575 64.576,576 1.699,577 3.7,578 4.471,579 4.88,580 4.88,581 4.88,582 2.752,583 3.828,584 4.496,585 3.528,586 892.695,587 7.703,588 10383.7,589 1,590 1,592 1,593 199.421,594 1.121,595 4.483,596 0.154,597 0.007,598 0.068,599 0.033,600 0.042,601 0.022,602 0.007,603 0.014,604 0.011,605 0.006,606 0.364,607 0.5,608 1,609 0.393,610 109.125,611 -0.049,612 -0.088,613 0.064,614 0.018,615 -0.035,616 0.029,617 0.003,618 -0.199,619 0.059,620 -0.068,621 -0.002,622 -0.066,623 0.072,624 0.084,625 0.073,626 0.15,627 0.05,628 0.057,629 -0.164,630 0.046,631 -0.068,632 0.038,633 -0.088,634 0.086,635 -0.329,636 0.081,637 -0.278,638 -0.023,639 -0.271,640 -0.06,641 -0.075,642 -0.017,643 -0.054,644 -0.055,645 -0.102,646 -0.089,647 -0.059,648 -0.179,649 -0.142,650 -0.177,651 -0.076,652 -0.218,653 0.349,654 -0.036,655 0.298,656 0.004,657 0.227,658 0.089,659 1.737,660 5.032,661 0.87,662 20.507,663 1.009,664 1.114,665 1.224,666 1.497,667 0.714,668 3.296,669 3.611,670 3.892,671 4.143,672 4.29,673 4.357,674 4.454,675 4.605,676 4.635,677 4.691,678 6.264,679 0.68,680 325.42,681 3.296,682 4.828,683 5.68,684 6.55,685 7.415,686 8.288,687 9.159,688 10.034,689 10.907,690 11.784,691 7.9,698 1,701 2,708 2,709 7,710 2,713 1,714 3,716 16,738 38,739 17,740 1,741 26,743 41,744 17,745 12,746 2,747 4,752 4,753 5,763 3,766 3,768 13,769 4,772 1,778 1,782 1,785 1,786 1,789 15,790 5,791 1,792 6,793 1,797 3,803 0.75,804 2,810 1,816 1,822 2,823 2,826 1,838 1,854 1,855 3,857 1,862 23,869 3,871 1,872 1,874 1,879 1,886 5.3,889 1,890 1,893 10.833,894 6.817,895 5,896 2.342,898 3.198,899 1.443,900 1.026,901 3.96,902 10.422,903 3.584,904 4.186,905 4.789,906 5.394,907 5.922,908 6.265,909 6.716,910 7.189,911 7.435,912 7.784,913 0.857,914 32,915 8.509,917 3.689,918 7.703,919 16.351,921 13.716,924 2.203,925 50.667,929 164.795,930 120.882,931 51.582,933 36.145,935 31.278,936 89.604,937 200.94,938 51.582,940 27.672,941 56.857,942 87.438,943 17.134,945 184.302,947 164.795,948 141.186,949 36.145,950 31.278,952 117.711,953 72.229,954 11,956 40.11,957 67.504,958 33.571,959 31.278,960 164.795,961 87.727,962 120.882,965 164.795,966 54.977,967 65.905,968 18.011,969 69.716,970 164.795,971 87.727,972 120.882,973 0.579,974 0.341,975 0.184,976 0.091,977 19,978 7,979 0.073,980 3,981 1,982 1.1,983 3.727,984 183.511,985 0.1,986 20,987 100.042,989 1,993 14.583,994 6.246,995 3.062,996 1.835,997 87.727,998 13.317,999 8.899,1002 1.561,1003 2.715,1005 18.011,1006 373.404,1007 35,1013 12.032,1017 -0.07,1020 38.338,1021 42.325,1022 0.324,1023 0.705,1024 0.852,1025 0.93,1026 0.93,1027 0.93,1028 4.804,1029 1.17,1030 5.645,1031 3.695,1032 4.29,1033 4.871,1034 2.272,1035 6.428,1036 4.177,1037 5.996,1038 1,1039 7.182,1040 2.831,1041 3.761,1042 4.605,1043 1.593,1044 7.235,1045 3.601,1046 7.293,1047 0.77,1048 8.816,1049 2.275,1050 5.855,1051 7.079,1052 3.266,1053 10.323,1054 5.632,1055 8.628,1056 0.618,1057 10.51,1058 1.848,1059 6.196,1060 7.699,1061 3.201,1062 11.971,1063 5.903,1064 9.997,1065 0.347,1066 12.241,1067 1.372,1068 7.7,1069 9.608,1070 4.494,1071 14.529,1072 7.36,1073 11.389,1074 -0.085,1075 13.997,1076 0.86,1077 8.435,1078 10.654,1079 4.75,1080 16.514,1081 8.011,1082 12.799,1083 -0.704,1084 15.77,1085 -0.209,1086 9.698,1087 12.324,1088 5.814,1089 18.884,1090 9.228,1091 3.061,1092 -0.896,1093 17.555,1094 -1.795,1095 10.619,1096 13.588,1097 6.248,1098 21.017,1099 10.06,1100 2.841,1101 9.883,1102 19.35,1103 -2.151,1104 11.779,1105 15.149,1106 7.174,1107 23.317,1108 11.168,1109 2.617,1110 8.708,1111 21.151,1112 4.437,1113 12.789,1114 16.523,1115 7.714,1116 25.519,1117 12.09,1118 2.286,1119 8.237,1120 22.957,1121 3.713,1122 13.907,1123 18.038,1124 8.557,1125 27.796,1126 13.148,1127 1.689,1128 6.8,1129 24.767,1130 3.201,1131 14.96,1132 19.467,1133 9.16,1134 30.032,1135 14.115,1136 1.532,1137 4.312,1138 26.581,1139 2.909,1140 16.063,1141 20.963,1142 9.952,1143 32.303,1144 15.15,1145 1.508,1146 4.155,1147 28.398,1148 2.298,1149 17.138,1150 22.42,1151 10.594,1152 34.557,1153 16.142,1154 6145,1155 10312,1156 18.087,1157 27.142,1158 38.889,1159 40.178,1160 39.088,1161 38.776,1162 38.88,1163 51.75,1164 6.127,1165 109.954,1166 36.651,1167 5.456,1168 5.773,1169 6.055,1170 5.093,1171 5.061,1172 7.437,1173 3.634,1174 16.49,1175 4.821,1176 5.928,1177 1.496,1178 1.545,1179 1.503,1180 1.491,1181 1.495,1182 1.99,1183 0.236,1184 4.229,1185 1.41,1186 4.066,1187 4.087,1188 4.323,1189 4.036,1190 7.428,1191 3.998,1192 3.885,1193 3.918,1194 3.839,1195 3.786,1196 5.058,1197 3.784,1198 3.787,1199 3.821,1200 3.69,1201 3.639,1202 4.731,1203 3.645,1204 3.355,1205 3.398,1206 3.429,1207 3.267,1208 4.598,1209 3.223,1210 3.207,1211 3.241,1212 3.192,1213 3.034,1214 4.334,1215 3.043,1216 2.854,1217 2.925,1218 2.817,1219 2.735,1220 3.872,1221 2.715,1222 2.795,1223 2.882,1224 2.687,1225 2.669,1226 3.792,1227 2.657,1228 2.77,1229 2.839,1230 2.672,1231 2.601,1232 3.674,1233 2.594,1234 0.173,1235 0.145,1236 0.245,1237 0.153,1238 0.118,1239 4.509,1240 0.171,1241 3.773,1242 0.078,1243 6.372,1244 0.38,1245 3.976,1246 0.109,1247 3.061,1248 4.437,1249 2.03,1250 9.883,1251 2.821,1252 1.91,1253 1.886,1254 2.002,1255 2.003,1256 1.219,1257 2.005,1258 1.83,1259 1.802,1260 1.903,1261 1.942,1262 1.106,1263 1.942,1264 1.612,1265 1.563,1266 1.855,1267 1.781,1268 0.968,1269 1.804,1270 1.41,1271 1.372,1272 1.605,1273 1.673,1274 0.821,1275 1.657,1276 1.216,1277 1.209,1278 1.25,1279 1.356,1280 0.444,1281 1.358,1282 0.917,1283 0.887,1284 1.181,1285 1.164,1286 0.218,1287 1.147,1288 0.886,1289 0.821,1290 1.088,1291 1.062,1292 0.202,1293 1.107,1294 0.859,1295 0.798,1296 0.932,1297 0.98,1298 0.124,1299 1.04,1300 3.97,1302 5.283,1303 3.045,1304 6.781,1305 5.283,1306 8.359,1307 7.298,1308 9.978,1315 2.411,1317 2.896,1318 5.386,1320 -0.315,1326 25.842,1327 64.576,1328 140.609,1329 169.911,1330 185.421,1331 185.421,1332 185.421,1333 31.246,1334 7.223,1335 64.11,1336 92.35,1337 22,1338 12.323,1339 4.17,1340 3.322,1341 32.135,1342 89,1343 68,1344 0.181,1345 160.354,1346 268.49,1347 383.023,1348 13329,1350 15.648,1351 0.68,1352 0.573,1353 16.002,1354 13.176,1355 11.293,1356 0.434,1357 0.321,1358 7.514,1359 10.475,1360 7.327,1361 6.015,1362 11.701,1363 8.356,1364 10.074,1365 0.28,1366 0.178,1367 10.717,1368 6.392,1369 8.745,1370 0.182,1371 0.1,1372 9.567,1373 4.816,1374 7.304,1375 0.118,1376 0.057,1377 8.202,1378 3.51,1379 5.433,1380 0.075,1381 0.03,1382 6.198,1383 2.137,1384 0.288,1385 74.596,1386 0.235,1387 22.952,1388 0.481,1389 124,1390 369.955,1391 162.321,1392 375.699,1393 517.59,1394 354,1395 146,1396 365.46,1397 181.665,1398 383.75,1399 567.93,1400 363,1401 4.948}
{0 CHEMBL1427279,1 1.417,2 9.25,3 3.287,4 10.806,5 78.275,6 7.716,7 0.773,8 3.619,9 3.729,10 3.226,11 3.264,12 4.782,13 3.234,14 4.081,15 4.226,16 3.556,17 3.619,18 5.232,19 3.57,20 4.307,21 4.486,22 3.576,23 3.7,24 5.451,25 3.628,26 4.33,27 4.561,28 3.362,29 3.531,30 5.447,31 3.438,32 4.119,33 4.351,34 3.195,35 3.318,36 5.267,37 3.24,38 3.849,39 4.04,40 3.117,41 3.212,42 5.005,43 3.147,44 3.909,45 4.119,46 3.013,47 3.178,48 5.086,49 3.106,50 3.746,51 3.961,52 2.852,53 3.098,54 4.794,55 2.997,56 0.017,57 0.449,58 6.058,59 2.9,60 4.521,61 3.703,62 0.085,63 0.713,64 10.565,65 4.769,66 11.22,67 6.271,68 0.105,69 0.898,70 14.377,71 6.046,72 19.916,73 7.877,74 0.148,75 0.902,76 16.724,77 6.249,78 31.836,79 8.243,80 0.212,81 0.714,82 14.007,83 5.038,84 35.636,85 6.523,86 0.048,87 0.552,88 9.344,89 3.867,90 11.744,91 5.076,92 0.153,93 0.581,94 10.875,95 3.895,96 29.122,97 4.818,98 0.083,99 0.479,100 9.012,101 3.728,102 17.095,103 4.909,104 5,105 30,106 0.257,107 0.569,108 0.714,109 0.845,110 0.856,111 0.856,112 3.057,113 0.88,114 -4.37,115 -4.3,116 -4.06,120 50,121 1,143 9,144 3,145 1,146 1,147 1,159 1,174 12,177 3,180 1,182 2,185 13,189 5,192 1,194 3,197 9,201 4,206 3,209 3,213 1,214 3,219 3,222 3,227 4,232 2,235 5,240 4,247 7,252 2,260 9,264 1,271 8,274 458,275 13.585,276 13.585,277 13.585,278 13.585,279 13.585,280 11.451,281 9.945,282 8.088,283 13.672,284 10.865,285 10.865,286 10.865,287 10.865,288 10.865,289 7.708,290 12.162,291 3.87,292 10.997,293 3.67,294 1.956,295 1.155,296 0.434,297 0.375,298 0.375,299 3.74,305 1,306 1,307 1,308 402,309 2.55,313 164.734,317 86.268,320 1.375,321 13.636,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 42,333 185,334 4.412,335 3.573,336 6.192,337 3.931,338 2.948,339 4.337,340 1.058,341 9.259,342 2.898,343 4.184,344 2.925,345 6.044,346 3.803,347 2.801,348 3.761,350 8.66,351 2.8,352 3.73,353 2.592,354 5.261,355 3.342,356 2.354,357 3.141,359 6.685,360 2.325,361 3.521,362 2.316,363 4.997,364 3.116,365 2.126,366 2.89,368 5.927,369 2.098,370 3.118,371 1.878,372 4.418,373 2.586,374 1.618,375 2.427,377 4.374,378 1.564,379 2.91,380 1.618,381 4.027,382 2.426,383 1.429,384 2.099,386 3.363,387 1.423,388 2.755,389 1.418,390 3.611,391 2.258,392 1.24,393 1.771,395 2.951,396 1.253,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.184,407 0.767,408 3.171,409 1.656,410 0.691,411 1.025,413 1.596,414 0.664,415 1.297,416 0.461,417 2.779,418 0.921,419 -0.053,420 -0.067,422 -0.132,423 -0.052,424 1.114,425 0.103,426 2.282,427 0.73,428 -0.291,429 -0.388,431 -0.636,432 -0.294,433 0.882,434 -0.423,435 2,436 0.361,437 -0.618,438 -0.927,440 -1.589,441 -0.603,442 0.723,443 -0.618,444 2,445 0.256,446 -0.753,447 -1.075,449 -1.842,450 -0.755,451 0.5,452 -0.91,453 2,455 -1,456 -1.5,458 -2.918,459 -1,460 0.389,461 -1,462 1.705,463 -0.109,464 -1.107,465 -1.559,467 -3,468 -1.101,469 9.633,470 0.482,471 0.452,472 0.023,473 30.25,474 1.513,475 18,476 0.9,477 12.25,478 0.613,479 11.123,480 0.556,481 19.767,482 0.581,483 19.413,484 0.971,485 6.127,486 0.306,487 3.593,488 0.18,489 0.087,491 0.311,496 0.674,497 1.05,498 0.745,499 0.894,500 0.587,501 0.834,502 0.58,503 1.098,504 0.813,505 0.981,506 0.565,507 0.932,508 0.976,509 1.183,510 1.044,511 1.146,512 0.922,513 1.109,514 1.363,515 1.094,516 1.069,517 1.039,518 1.285,519 1.019,520 1.602,521 0.849,522 0.99,523 0.793,524 1.758,525 0.822,526 1.027,527 1.165,528 0.928,529 1.095,530 0.952,531 1.014,532 2.007,533 0.784,534 1.187,535 0.796,536 2.033,537 0.879,538 1.111,539 0.789,540 0.988,541 0.87,542 1.196,543 0.913,544 4,545 0.062,546 2.222,547 0.938,548 1.058,549 0.465,550 0.262,551 0.24,552 0.119,553 0.057,554 4058,555 10103,556 2.107,557 41.2,558 3,559 9,561 1,562 1,567 1.613,568 2,569 3.21,570 -0.37,572 1,574 1,575 48.184,576 1.417,577 3.131,578 3.932,579 4.653,580 4.712,581 4.712,582 2.684,583 3.884,584 4.296,585 3.302,586 627.413,587 7.316,588 6430.51,589 1,590 1,591 1,592 1,593 172.974,594 1.295,595 4.266,596 0.182,597 0.01,598 0.074,599 0.032,600 0.048,601 0.024,602 0.015,603 0.015,604 0.008,605 0.006,606 0.415,607 0.83,608 1,609 0.548,610 89.166,611 -0.032,612 -0.025,613 0.035,614 0.023,615 -0.074,616 0.035,617 0.158,618 -0.088,619 0.031,620 -0.05,621 0.062,622 -0.031,623 -0.004,624 -0.177,625 -0.131,626 -0.212,627 -0.019,628 -0.193,629 -0.099,630 -0.098,631 -0.042,632 -0.084,633 -0.027,634 -0.058,635 -0.027,636 0.142,637 0.075,638 0.172,639 -0.076,640 0.139,641 0.01,642 -0.183,643 0.018,644 -0.145,645 0.076,646 -0.074,647 -0.354,648 0.231,649 -0.16,650 0.149,651 -0.256,652 0.043,653 -0.125,654 0.143,655 -0.009,656 0.126,657 -0.077,658 0.081,659 1.79,660 5.123,661 0.8,662 13.88,663 0.995,664 1.109,665 3.136,666 9.832,667 0.707,668 3.135,669 3.434,670 3.664,671 3.871,672 4.111,673 4.06,674 4.078,675 4.174,676 4.22,677 4.094,678 5.368,679 0.674,680 262.33,681 3.135,682 4.654,683 5.485,684 6.34,685 7.186,686 8.044,687 8.894,688 9.753,689 10.606,690 11.465,691 5.9,698 1,701 1,708 2,709 10,710 1,714 3,716 17,723 1,738 34,739 18,740 2,741 22,743 36,744 17,745 15,746 4,747 8,748 1,752 3,753 4,759 1,768 16,769 1,772 1,778 1,782 1,785 1,786 1,789 14,790 3,791 1,792 3,797 2,803 0.667,804 1,816 1,823 3,827 1,855 2,859 1,862 20,871 1,886 2.9,889 1,893 10,894 6.45,895 4.389,896 1.964,898 3.282,899 1.494,900 1.017,901 3.28,902 9.924,903 3.481,904 4.111,905 4.705,906 5.28,907 5.868,908 6.045,909 6.354,910 6.719,911 7.077,912 7.014,913 1,914 29,915 7.358,917 3.092,918 7.725,919 14.014,921 11.305,924 2.225,925 44.5,926 0.001,929 153.024,930 121.709,931 34.796,933 25.145,936 121.709,937 178.169,938 34.796,939 8.825,940 18.011,941 85.286,942 58.406,943 22.892,945 141.253,947 153.024,948 156.505,949 25.145,952 153.024,953 25.145,956 38.028,957 101.692,958 16.786,960 153.024,961 59.941,962 121.709,965 153.024,966 18.55,967 103.159,968 18.011,969 41.93,970 153.024,971 59.941,972 121.709,973 0.579,974 0.331,975 0.171,976 0.097,977 15,978 6,979 0.056,980 2,981 1,982 1.125,983 3.332,984 146.737,985 0.125,986 16,987 82.439,993 12.523,994 5.238,995 2.762,996 1.926,997 59.941,998 18.905,999 4.327,1003 2.479,1005 18.011,1006 334.674,1007 31.5,1013 12.123,1017 -0.123,1020 33.833,1021 37.697,1022 0.279,1023 0.616,1024 0.773,1025 0.915,1026 0.926,1027 0.926,1028 4.675,1029 1,1030 5.451,1031 2.951,1032 4.111,1033 4.796,1034 1.176,1035 6.205,1036 4.088,1037 5.89,1038 0.691,1039 6.974,1040 2.275,1041 3.611,1042 4.543,1044 6.969,1045 3.591,1046 7.189,1047 -0.053,1048 8.594,1049 1.596,1050 5.652,1051 7.038,1052 1.255,1053 10.02,1054 5.605,1055 8.524,1056 -0.291,1057 10.268,1058 -0.132,1059 5.943,1060 7.597,1062 11.59,1063 5.899,1064 9.886,1065 -0.618,1066 11.978,1067 -0.636,1068 7.452,1069 9.551,1070 1.338,1071 14.134,1072 7.384,1073 11.27,1074 -0.753,1075 13.712,1076 -1.589,1077 8.124,1078 10.525,1080 16.047,1081 8.056,1082 12.67,1083 -1,1084 15.463,1085 -1.842,1086 9.393,1087 12.225,1088 1.422,1089 18.396,1090 9.306,1091 2.948,1092 -1.107,1093 17.227,1094 -2.918,1095 10.259,1096 13.424,1098 20.466,1099 10.167,1100 2.801,1101 9.259,1102 19,1103 -3,1104 11.415,1105 14.997,1106 1.51,1107 22.733,1108 11.307,1109 2.354,1110 8.66,1111 20.781,1112 4.337,1113 12.379,1114 16.318,1116 24.875,1117 12.262,1118 2.126,1119 6.685,1120 22.568,1121 3.761,1122 13.484,1123 17.829,1124 1.599,1125 27.108,1126 13.352,1127 1.618,1128 5.927,1129 24.359,1130 3.141,1131 14.498,1132 19.215,1134 29.285,1135 14.355,1136 1.429,1137 4.374,1138 26.155,1139 2.89,1140 15.579,1141 20.697,1142 1.69,1143 31.504,1144 15.422,1145 1.24,1146 3.363,1147 27.953,1148 2.427,1149 16.619,1150 22.118,1152 33.698,1153 16.449,1154 3902,1155 6260,1156 14.909,1157 24.034,1158 32.852,1159 33.567,1160 33.28,1161 32.398,1162 32.413,1163 45.907,1164 2.117,1165 90.178,1166 32.051,1167 5.234,1168 5.573,1169 5.879,1170 4.971,1171 4.948,1172 7.337,1173 2.117,1174 15.608,1175 4.898,1176 7.678,1177 1.493,1178 1.526,1179 1.513,1180 1.473,1181 1.473,1182 2.087,1183 0.096,1184 4.099,1185 1.457,1186 4.07,1187 4.1,1188 4.029,1189 3.996,1190 7.429,1191 4,1192 3.928,1193 3.953,1194 3.869,1195 3.869,1196 4.998,1197 3.865,1198 3.533,1199 3.579,1200 3.459,1201 3.399,1202 4.714,1203 3.406,1204 3.291,1205 3.337,1206 3.202,1207 3.143,1208 4.405,1209 3.148,1210 3.005,1211 3.08,1212 2.893,1213 2.859,1214 4.029,1215 2.859,1216 2.952,1217 3.019,1218 2.771,1219 2.735,1220 3.847,1221 2.732,1222 2.854,1223 2.925,1224 2.687,1225 2.726,1226 3.674,1227 2.715,1228 2.636,1229 2.687,1230 2.518,1231 2.505,1232 3.642,1233 2.5,1234 0.201,1235 0.162,1236 0.281,1237 0.179,1238 0.134,1239 4.412,1240 0.197,1241 3.573,1242 0.048,1243 6.192,1244 0.421,1245 3.931,1246 0.132,1247 2.948,1248 4.337,1249 1.058,1250 9.259,1251 2.898,1252 2.032,1253 2.007,1254 2.112,1255 2.123,1256 1.208,1257 2.121,1258 1.923,1259 1.899,1260 2.039,1261 2.004,1262 1.138,1263 2.016,1264 1.496,1265 1.454,1266 1.649,1267 1.669,1268 0.696,1269 1.664,1270 1.268,1271 1.22,1272 1.536,1273 1.457,1274 0.607,1275 1.481,1276 0.984,1277 0.926,1278 1.21,1279 1.224,1280 0.244,1281 1.217,1282 0.911,1283 0.841,1284 1.181,1285 1.143,1286 0.218,1287 1.165,1288 0.886,1289 0.821,1290 1.145,1291 1.062,1292 0.136,1293 1.107,1294 0.637,1295 0.587,1296 0.913,1297 0.814,1299 0.848,1300 3.807,1302 5.106,1304 6.608,1306 8.197,1308 9.827,1310 1.995,1317 2.868,1326 22.918,1327 48.184,1328 106.47,1329 133.69,1330 158.219,1331 160.219,1332 160.219,1333 25.552,1334 6.642,1335 41.99,1336 41.99,1337 18,1338 12.017,1339 4.248,1340 3.392,1341 30.111,1342 65,1343 62,1344 0.231,1345 142.898,1346 239.91,1347 340.432,1348 6265,1350 13.949,1351 0.697,1352 0.556,1353 13.949,1354 11.129,1355 9.72,1356 0.442,1357 0.293,1358 6.404,1359 9.524,1360 6.202,1361 5.201,1362 9.72,1363 6.451,1364 8.717,1365 0.291,1366 0.158,1367 8.717,1368 4.737,1369 7.219,1370 0.19,1371 0.083,1372 7.219,1373 3.162,1374 5.758,1375 0.123,1376 0.044,1377 5.758,1378 2.048,1379 4.786,1380 0.08,1381 0.024,1382 4.786,1383 1.426,1384 0.361,1385 59.762,1386 0.259,1387 20.073,1388 0.631,1389 104,1390 281.714,1391 109.989,1392 282.369,1393 389.45,1394 264,1395 120,1396 288.355,1397 126.018,1398 297.926,1399 429.93,1400 280,1401 5.322}
{0 CHEMBL1427757,1 1.625,2 8.826,3 4.299,4 18.483,5 88.819,6 8.6,7 0.654,8 3.773,9 3.863,10 3.473,11 3.372,12 4.884,13 3.363,14 4.289,15 4.416,16 3.864,17 3.747,18 5.397,19 3.73,20 4.503,21 4.664,22 3.902,23 3.853,24 5.597,25 3.811,26 4.434,27 4.618,28 3.745,29 3.798,30 5.432,31 3.712,32 4.399,33 4.596,34 3.714,35 3.76,36 5.402,37 3.657,38 4.384,39 4.604,40 3.561,41 3.7,42 5.312,43 3.577,44 4.278,45 4.492,46 3.576,47 3.578,48 5.262,49 3.481,50 4.177,51 4.365,52 3.44,53 3.415,54 5.215,55 3.318,56 0.042,57 0.509,58 6.013,59 3.31,60 4.345,61 3.852,62 0.161,63 0.828,64 12.717,65 5.765,66 14.666,67 6.595,68 0.422,69 1.031,70 19.646,71 6.92,72 30.036,73 7.87,74 0.273,75 0.979,76 17.547,77 7.023,78 19.54,79 8.802,80 0.296,81 0.93,82 17.353,83 6.808,84 22.85,85 8.828,86 0.202,87 0.882,88 19.929,89 7.437,90 20.431,91 9.72,92 0.176,93 0.787,94 16.527,95 6.462,96 18.915,97 8.259,98 0.279,99 0.638,100 20.179,101 6.102,102 24.914,103 7.256,104 5,105 37,106 0.289,107 0.619,108 0.753,109 0.854,110 0.863,111 0.873,112 3.189,113 0.9,114 -3.84,115 -3.8,116 -3.61,120 47.4,121 1,126 2,143 7,144 1,145 5,147 2,174 3,177 6,182 4,185 7,188 1,189 5,194 2,197 6,201 1,204 2,206 2,209 7,214 1,217 1,219 2,222 8,227 4,235 5,240 4,247 7,251 1,252 3,260 2,263 1,264 4,274 678,275 15.687,276 15.687,277 15.687,278 15.687,279 15.687,280 13.627,281 21.508,282 9.229,283 16.212,284 12.886,285 12.886,286 12.886,287 12.886,288 12.886,289 9.717,290 32.818,291 4.452,292 13.792,293 3.623,294 1.762,295 1.011,296 0.441,297 0.388,298 0.336,299 3.892,303 1,306 1,307 1,308 451,309 2.236,313 204.7,317 174.377,320 1.255,321 17.397,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 49.333,333 203,334 4.557,335 3.27,336 6.557,337 4.082,338 3.11,339 4.5,340 0.86,341 10.431,342 3.023,343 4.273,344 3.189,345 6.183,346 3.857,347 2.913,348 3.916,349 0.86,350 9.225,351 2.746,352 3.745,353 2.82,354 5.43,355 3.322,356 2.389,357 3.208,358 0.4,359 7.114,360 2.221,361 3.618,362 2.536,363 5.099,364 3.207,365 2.273,366 2.978,368 6.267,369 2.122,370 3.357,371 2.255,372 5.025,373 2.91,374 1.97,375 2.69,377 5.798,378 1.852,379 3.321,380 2.181,381 4.86,382 2.835,383 1.893,384 2.649,386 5.449,387 1.681,388 2.923,389 2.008,390 4.413,391 2.53,392 1.618,393 2.061,395 4.362,396 1.469,397 2.503,398 1.767,399 3.831,400 2.322,401 1.404,402 1.503,404 3.03,405 1.276,406 2.444,407 1.102,408 3.612,409 2.014,410 1.03,411 1.43,413 2.723,414 1.012,415 1.921,416 0.993,417 3.187,418 1.597,419 0.696,420 0.828,422 1.615,423 0.621,424 1.539,425 0.582,426 3.008,427 1.109,428 0.208,429 0.266,431 0.535,432 0.175,433 1.173,434 0.258,435 2.625,436 0.822,437 -0.103,438 -0.125,440 -0.26,441 -0.088,442 0.915,443 -0.141,444 2.533,445 0.457,446 -0.501,447 -0.643,449 -1.351,450 -0.45,451 0.688,452 -0.19,453 2.342,454 0.312,455 -0.618,456 -0.729,458 -1.599,459 -0.515,460 0.655,461 -0.324,462 2.237,463 0.213,464 -0.675,465 -0.814,467 -1.644,468 -0.565,469 11.181,470 0.486,471 0.571,472 0.025,473 32.75,474 1.424,475 17.5,476 0.761,477 15.25,478 0.663,479 16.306,480 0.709,481 23.619,482 0.622,483 21.477,484 0.934,485 6.439,486 0.28,487 4.748,488 0.206,489 0.109,491 0.358,496 0.82,497 1.157,498 0.573,499 0.916,500 0.795,501 0.82,502 1.162,503 1.185,504 0.671,505 0.893,506 0.85,507 0.826,508 1.332,509 1.012,510 1.044,511 0.878,512 1.241,513 0.915,514 0.807,515 1.06,516 0.911,517 1.004,518 0.862,519 1.059,520 0.58,521 1.009,522 0.843,523 1.017,524 0.688,525 1.082,526 0.695,527 0.972,528 0.973,529 1.021,530 0.833,531 1.031,532 0.836,533 0.96,534 0.784,535 0.917,536 0.799,537 0.922,538 1.389,539 0.943,540 1.602,541 1.226,542 1.465,543 1.103,544 5,545 0.045,546 2.222,547 1.375,548 1.613,549 0.521,550 0.485,551 0.267,552 0.217,553 0.117,554 5774,555 16590,556 2.168,557 39.5,559 11,562 1,563 3,567 1.659,568 2.06,569 3.147,570 -0.326,572 1,575 61.759,576 1.625,577 3.486,578 4.237,579 4.807,580 4.86,581 4.912,582 2.496,583 4.263,584 4.5,585 3.267,586 826.623,587 7.753,588 9225.75,590 1,592 1,593 199.421,594 1.302,595 4.469,596 0.192,597 0.006,598 0.06,599 0.037,600 0.052,601 0.019,602 0.019,603 0.011,604 0.011,605 0.008,606 0.415,607 0.67,608 1,609 0.503,610 106.322,611 -0.048,612 -0.097,613 0.029,614 -0.041,615 -0.117,616 0.014,617 -0.117,618 -0.164,619 0.055,620 0.013,621 0.034,622 0.045,623 -0.148,624 0.049,625 -0.15,626 0.033,627 -0.18,628 -0.037,629 -0.011,630 -0.033,631 -0.084,632 -0.072,633 -0.061,634 -0.117,635 0.109,636 0.009,637 0.001,638 -0.072,639 0.067,640 -0.113,641 -0.011,642 -0.029,643 -0.002,644 -0.02,645 -0.019,646 0.005,648 -0.008,649 0.149,650 0.07,651 0.098,652 0.093,653 -0.081,654 -0.059,655 -0.195,656 -0.167,657 -0.113,658 -0.091,659 0.978,660 2.134,661 0.87,662 15.89,663 1.01,664 1.112,665 2.611,666 6.819,667 0.713,668 3.296,669 3.638,670 3.912,671 4.22,672 4.511,673 4.533,674 4.644,675 4.762,676 4.905,677 4.852,678 5.377,679 0.684,680 326.8,681 3.296,682 4.844,683 5.7,684 6.589,685 7.462,686 8.353,687 9.233,688 10.123,689 11.006,690 11.897,691 5.3,699 1,701 1,708 2,709 7,710 1,714 6,716 17,729 1,735 2,737 1,738 38,739 17,740 2,741 26,743 41,744 18,745 15,746 6,747 6,752 4,753 6,754 1,759 1,768 15,769 3,786 1,789 15,790 4,791 1,792 5,793 1,797 2,803 0.5,804 2,816 1,823 4,827 2,855 2,859 1,860 1,862 23,869 2,871 1,872 2,885 1,886 5.3,891 2,893 11.167,894 7.26,895 4.917,896 2.254,898 3.482,899 1.468,900 1.029,901 3.753,902 10.928,903 3.57,904 4.234,905 4.85,906 5.487,907 6.11,908 6.385,909 6.764,910 7.172,911 7.604,912 7.723,913 0.833,914 37,915 8.458,917 3.615,918 7.628,919 16.259,921 13.449,924 2.128,925 48.944,929 164.795,930 111.319,931 34.796,932 39.149,933 22,936 111.319,937 225.944,938 34.796,939 8.825,940 9.185,941 66.334,942 16.786,943 66.985,945 164.795,946 39.149,947 164.795,948 146.115,949 22,950 39.149,952 164.795,953 22,956 40.922,957 88.408,958 55.934,960 164.795,961 56.796,962 150.467,965 164.795,966 36.16,967 75.159,968 18.011,969 77.934,970 164.795,971 56.796,972 150.467,973 0.586,974 0.338,975 0.192,976 0.115,977 20,978 8,979 0.049,980 2,981 2,982 1.2,983 3.555,984 192.301,985 0.2,986 20,987 104.042,993 14.608,994 5.909,995 2.942,996 1.896,997 56.796,998 13.545,999 4.546,1003 5.066,1005 18.011,1006 372.059,1007 34.5,1020 38.367,1021 42.266,1022 0.31,1023 0.664,1024 0.807,1025 0.916,1026 0.926,1027 0.936,1028 4.806,1029 1.404,1030 5.687,1031 4.362,1032 4.317,1033 4.92,1034 1.454,1035 6.494,1036 4.196,1037 6.029,1038 1.03,1039 7.236,1040 3.03,1041 3.892,1042 4.808,1044 7.334,1045 3.704,1046 7.349,1047 0.696,1048 8.881,1049 2.723,1050 5.905,1051 7.197,1052 1.175,1053 10.442,1054 5.694,1055 8.702,1056 0.208,1057 10.58,1058 1.615,1059 6.256,1060 7.878,1062 12.103,1063 5.996,1064 10.085,1065 -0.103,1066 12.316,1067 0.535,1068 7.757,1069 9.763,1070 0.966,1071 14.724,1072 7.475,1073 11.489,1074 -0.501,1075 14.078,1076 -0.26,1077 8.494,1078 10.84,1080 16.753,1081 8.175,1082 12.911,1083 -0.618,1084 15.86,1085 -1.351,1086 9.772,1087 12.505,1088 0.788,1089 19.191,1090 9.429,1091 3.11,1092 -0.675,1093 17.656,1094 -1.599,1095 10.706,1096 13.789,1098 21.386,1099 10.33,1100 2.913,1101 10.431,1102 19.465,1103 -1.644,1104 11.886,1105 15.354,1106 0.634,1107 23.755,1108 11.485,1109 2.389,1110 9.225,1111 21.284,1112 4.5,1113 12.916,1114 16.743,1116 26.023,1117 12.484,1118 2.273,1119 7.114,1120 23.112,1121 3.916,1122 14.055,1123 18.265,1124 0.504,1125 28.365,1126 13.598,1127 1.97,1128 6.267,1129 24.946,1130 3.208,1131 15.131,1132 19.706,1134 30.667,1135 14.645,1136 1.893,1137 5.798,1138 26.787,1139 2.978,1140 16.256,1141 21.21,1142 0.395,1143 33.002,1144 15.743,1145 1.618,1146 5.449,1147 28.632,1148 2.69,1149 17.353,1150 22.679,1152 35.32,1153 16.813,1154 5397,1155 9266,1156 17.8,1157 27.108,1158 39.209,1159 39.939,1160 39.79,1161 39.097,1162 39.007,1163 52.059,1164 4.24,1165 113.097,1166 36.392,1167 5.501,1168 5.27,1169 6.244,1170 5.223,1171 5.11,1172 7.5,1173 1.72,1174 17.416,1175 5.023,1176 8.414,1177 1.508,1178 1.536,1179 1.53,1180 1.504,1181 1.5,1182 2.002,1183 0.163,1184 4.35,1185 1.4,1186 4.092,1187 4.118,1188 4.113,1189 4.02,1190 5.055,1191 4.025,1192 3.923,1193 3.936,1194 3.891,1195 3.822,1196 4.942,1197 3.832,1198 3.541,1199 3.581,1200 3.673,1201 3.447,1202 4.706,1203 3.439,1204 3.455,1205 3.508,1206 3.336,1207 3.254,1208 4.396,1209 3.263,1210 3.147,1211 3.221,1212 3.13,1213 2.991,1214 4.214,1215 2.988,1216 2.92,1217 2.976,1218 3.024,1219 2.807,1220 4.081,1221 2.788,1222 2.902,1223 2.945,1224 2.789,1225 2.743,1226 3.975,1227 2.742,1228 2.762,1229 2.823,1230 2.64,1231 2.625,1232 3.545,1233 2.624,1234 0.175,1235 0.126,1236 0.252,1237 0.157,1238 0.12,1239 4.557,1240 0.173,1241 3.27,1242 0.033,1243 6.557,1244 0.401,1245 4.082,1246 0.116,1247 3.11,1248 4.5,1249 0.86,1250 10.431,1251 3.023,1252 2.043,1253 2.021,1254 2.101,1255 2.132,1256 1.239,1257 2.127,1258 1.876,1259 1.861,1260 1.969,1261 2.005,1262 1.098,1263 1.992,1264 1.527,1265 1.488,1266 1.717,1267 1.674,1268 0.918,1269 1.69,1270 1.416,1271 1.363,1272 1.681,1273 1.632,1274 0.803,1275 1.654,1276 1.139,1277 1.071,1278 1.39,1279 1.342,1280 0.481,1281 1.364,1282 0.89,1283 0.84,1284 1.134,1285 1.097,1286 0.192,1287 1.109,1288 0.876,1289 0.828,1290 1.101,1291 1.062,1292 0.168,1293 1.084,1294 0.74,1295 0.691,1296 0.946,1297 0.951,1298 0.055,1299 0.962,1300 3.97,1302 5.303,1304 6.841,1306 8.475,1308 10.159,1310 1.975,1311 6.136,1315 1.163,1317 3.431,1318 11.187,1326 25.988,1327 61.759,1328 132.467,1329 161.015,1330 182.666,1331 184.666,1332 186.666,1333 26.511,1334 7.446,1335 43.38,1336 43.38,1337 24,1338 12.427,1339 4.17,1340 3.248,1341 31.799,1342 74,1343 69,1344 0.211,1345 160.354,1346 271.49,1347 383.023,1348 17441,1349 2.6,1350 15.811,1351 0.687,1352 0.581,1353 16.311,1354 13.353,1355 11.187,1356 0.43,1357 0.3,1358 7.356,1359 10.485,1360 7.143,1361 5.871,1362 11.475,1363 7.803,1364 10.398,1365 0.281,1366 0.159,1367 10.806,1368 5.893,1369 8.61,1370 0.176,1371 0.081,1372 8.873,1373 3.955,1374 7.546,1375 0.113,1376 0.043,1377 7.765,1378 2.883,1379 6.638,1380 0.074,1381 0.023,1382 6.937,1383 2.096,1384 0.324,1385 72.928,1386 0.237,1387 22.283,1388 0.598,1389 126,1390 369.652,1391 152.713,1392 383.803,1393 526.62,1394 362,1395 149,1396 374.842,1397 170.451,1398 387.016,1399 569.52,1400 366,1401 4.766}
{0 CHEMBL1427814,1 1.532,2 17.61,3 2.76,4 7.615,5 154.744,6 7.227,7 0.378,8 4.457,9 4.563,10 3.994,11 3.922,12 5.532,13 3.919,14 5.037,15 5.212,16 4.341,17 4.319,18 6.048,19 4.303,20 5.263,21 5.439,22 4.514,23 4.533,24 6.338,25 4.489,26 5.429,27 5.638,28 4.5,29 4.57,30 6.503,31 4.501,32 5.469,33 5.691,34 4.37,35 4.504,36 6.506,37 4.421,38 5.389,39 5.63,40 4.181,41 4.41,42 6.349,43 4.294,44 5.338,45 5.6,46 4.079,47 4.319,48 6.236,49 4.2,50 5.187,51 5.427,52 4.068,53 4.26,54 6.144,55 4.151,56 0.08,57 1.087,58 16.989,59 7.406,60 14.029,61 9.513,62 0.675,63 1.757,64 34.522,65 11.432,66 42.902,67 15.319,68 0.86,69 2.174,70 42.757,71 15.704,72 60.239,73 20.983,74 0.887,75 2.372,76 52.636,77 18.345,78 105.301,79 25.142,80 1.332,81 2.345,82 57.202,83 17.584,84 120.011,85 24.296,86 1.048,87 2.169,88 52.807,89 16.75,90 102.062,91 23.587,92 1.002,93 1.997,94 51.52,95 15.8,96 105.294,97 22.575,98 0.97,99 1.818,100 42.919,101 13.817,102 94.049,103 19.708,104 46,105 63,106 0.235,107 0.518,108 0.67,109 0.749,110 0.777,111 0.809,112 3.741,113 0.92,114 -2.45,115 -2.48,116 -2.43,120 39.7,125 3,126 9,128 1,143 8,144 5,145 3,159 2,174 13,176 2,177 7,185 15,188 4,189 13,192 2,197 12,200 3,201 12,209 6,213 4,214 10,219 1,222 2,226 2,227 6,230 1,232 2,239 1,240 5,251 2,252 4,255 2,263 2,264 4,267 2,274 3473,275 28.11,276 28.11,277 28.11,278 28.11,279 28.11,280 25.972,281 33.849,282 16.344,283 29.071,284 21.987,285 21.987,286 21.987,287 21.987,288 21.987,289 18.386,290 43.154,291 7.434,292 23.207,293 4.753,294 2.904,295 1.91,296 1.391,297 1.212,298 1.003,299 4.445,307 1,308 1573,309 4.301,313 652.557,317 588.87,319 239.737,320 2.817,321 50.487,324 0.75,325 0.5,326 0.67,327 0.9,328 1,329 0.67,330 0.5,331 0.71,332 90.5,333 722,334 4.737,335 3.926,336 7.091,337 4.359,338 3.365,339 4.633,340 1.349,341 12.231,342 3.343,343 4.419,344 3.381,345 6.523,346 4.007,347 3.061,348 4.104,349 1.151,350 10.257,351 2.892,352 4.01,353 3.336,354 6.257,355 3.675,356 2.724,357 3.398,358 0.86,359 9.158,360 2.615,361 3.795,362 3.031,363 5.945,364 3.604,365 2.658,366 3.186,367 0.86,368 8.021,369 2.483,370 3.7,371 2.949,372 5.558,373 3.435,374 2.414,375 2.882,376 0.86,377 7.59,378 2.458,379 3.573,380 2.807,381 5.298,382 3.322,383 2.394,384 2.702,385 0.8,386 6.779,387 2.219,388 3.39,389 2.654,390 5.251,391 3.223,392 2.265,393 2.604,394 0.8,395 6.695,396 2.158,397 3.355,398 2.555,399 5.19,400 2.972,401 2.061,402 2.529,403 0.8,404 6.118,405 1.867,406 3.247,407 2.358,408 5.137,409 2.913,410 1.981,411 2.366,413 5.847,414 1.86,415 2.976,416 1.992,417 4.761,418 2.812,419 1.85,420 2.083,422 5.338,423 1.755,424 2.94,425 1.944,426 4.022,427 2.433,428 1.414,429 1.98,431 3.196,432 1.435,433 2.768,434 1.824,435 4.016,436 2.273,437 1.274,438 1.899,440 3.04,441 1.273,442 2.288,443 1.8,444 3.822,445 2.068,446 1.225,447 1.276,449 2.709,450 1.027,451 2.215,452 1.683,453 3.556,454 1.967,455 1.028,456 1.091,458 2.305,459 0.965,460 2.191,461 1.27,462 3.414,463 1.95,464 1,465 1.023,467 2.275,468 0.939,469 19.033,470 0.464,471 0.917,472 0.022,473 48,474 1.171,475 20.5,476 0.5,477 27.5,478 0.671,479 41.272,480 1.007,481 46.367,482 0.594,483 42.998,484 1.049,485 10.064,486 0.245,487 9.863,488 0.241,489 0.131,491 0.352,496 0.832,497 1.511,498 0.799,499 1.277,500 0.669,501 1.068,502 1.237,503 0.909,504 0.957,505 0.782,506 0.772,507 0.79,508 0.843,509 1.031,510 0.948,511 1.057,512 0.846,513 1.02,514 0.93,515 1.148,516 0.945,517 1.123,518 1.007,519 1.052,520 1.264,521 1.008,522 1.141,523 0.985,524 1.278,525 1.03,526 1.087,527 1.013,528 1.125,529 1.046,530 1.165,531 1.085,532 1.133,533 0.889,534 1.004,535 0.857,536 1.286,537 0.9,538 0.911,539 0.978,540 1.016,541 0.944,542 1.108,543 0.994,544 7.5,545 0.289,546 4.667,547 3.5,548 3.08,549 1.479,550 0.727,551 0.582,552 0.39,553 0.265,554 33857,555 90231,556 2.075,557 47.4,559 36,562 1,567 1.797,568 1.937,569 4.014,570 -0.376,575 119.525,576 1.532,577 3.381,578 4.376,579 4.894,580 5.073,581 5.282,582 3.417,583 4.723,584 5.335,585 4.29,586 3517.7,587 9.366,588 68295.6,593 490.261,594 1.429,595 5.286,596 0.167,597 0.008,598 0.074,599 0.049,600 0.045,601 0.026,602 0.016,603 0.014,604 0.009,605 0.006,606 0.413,607 0.33,608 0.5,609 0.812,610 240.181,611 -0.04,612 -0.273,613 0.068,614 -0.131,615 -0.04,616 -0.031,617 -0.158,618 0.234,619 0.013,620 0.22,621 -0.051,622 0.168,623 0.092,624 0.082,625 -0.005,626 -0.019,627 0.053,628 -0.026,629 0.039,630 -0.142,631 0.028,632 -0.111,633 0.087,634 -0.055,635 -0.084,636 -0.036,637 -0.118,638 -0.033,639 -0.076,640 -0.076,641 -0.071,642 -0.05,643 -0.122,644 -0.09,645 -0.088,646 -0.112,647 -0.108,648 0.023,649 0.017,650 0.083,651 -0.132,652 0.075,653 0.038,654 -0.002,655 -0.024,656 0.024,657 -0.036,658 -0.011,659 1.963,660 6.15,661 0.61,662 54.934,663 1.008,664 1.128,665 1.222,666 1.493,667 0.643,668 3.829,669 4.159,670 4.477,671 4.762,672 5.011,673 5.075,674 5.176,675 5.263,676 5.398,677 5.407,678 10.583,679 0.616,680 563.71,681 3.829,682 5.38,683 6.248,684 7.138,685 8.023,686 8.919,687 9.81,688 10.71,689 11.607,690 12.51,691 3.8,694 2,698 1,708 2,709 8,714 6,716 17,735 3,738 78,739 19,740 3,741 45,743 82,744 31,745 16,746 8,747 8,748 2,752 5,753 9,766 1,768 18,769 13,772 2,778 2,782 2,789 37,790 10,791 1,792 10,797 3,800 1,803 0.6,804 7,806 1,823 5,827 3,829 1,851 2,853 1,854 1,855 3,859 3,862 41,868 1,869 9,872 4,874 1,875 3,886 9,887 1,889 2,890 1,891 3,893 21.167,894 14.8,895 9.25,896 4.499,898 3.352,899 1.376,900 0.943,901 9.55,902 12.269,903 4.034,904 4.595,905 5.201,906 5.788,907 6.337,908 6.606,909 6.94,910 7.222,911 7.589,912 7.641,913 1,914 72,915 15.301,917 6.549,918 7.78,919 29.162,921 23.953,924 2.28,925 93.5,929 423.76,930 172.226,931 9.373,933 136.973,936 172.226,937 560.732,938 9.373,939 32.649,940 27.049,941 118.493,942 70.699,943 69.681,945 423.76,947 423.76,948 181.599,949 136.973,952 423.76,953 83.29,954 53.683,956 33.298,957 148.301,960 423.76,961 146.346,962 172.226,965 423.76,966 63.767,967 117.832,969 136.973,970 423.76,971 146.346,972 172.226,973 0.576,974 0.358,975 0.203,976 0.11,977 29,978 14,979 0.146,980 12,981 3,982 1.2,983 5.102,984 401.159,985 0.24,986 24,987 195.66,993 29.453,994 13.294,995 6.409,996 1.659,997 146.346,998 14.832,1003 3.661,1005 42.683,1006 742.331,1007 55.5,1013 26.3,1017 -0.458,1020 78.618,1021 88.019,1022 0.244,1023 0.538,1024 0.696,1025 0.779,1026 0.807,1027 0.84,1028 5.295,1029 2.061,1030 6.236,1031 6.695,1032 4.844,1033 5.283,1034 2.695,1035 7.079,1036 4.754,1037 6.481,1038 1.981,1039 7.816,1040 6.118,1041 4.443,1042 5.139,1043 0.766,1044 8.059,1045 4.334,1046 7.789,1047 1.85,1048 9.496,1049 5.847,1050 6.466,1051 7.465,1052 2.729,1053 11.193,1054 6.312,1055 9.135,1056 1.414,1057 11.238,1058 5.338,1059 6.899,1060 8.192,1061 1.148,1062 13.018,1063 6.735,1064 10.519,1065 1.274,1066 13.02,1067 3.196,1068 8.378,1069 10.016,1070 2.924,1071 15.7,1072 8.183,1073 11.928,1074 1.225,1075 14.831,1076 3.04,1077 9.203,1078 11.157,1079 1.7,1080 17.891,1081 9.005,1082 13.36,1083 1.028,1084 16.663,1085 2.709,1086 10.477,1087 12.791,1088 3.234,1089 20.433,1090 10.26,1091 3.365,1092 1,1093 18.512,1094 2.305,1095 11.492,1096 14.131,1097 2.342,1098 22.788,1099 11.274,1100 3.061,1101 12.231,1102 20.375,1103 2.275,1104 12.694,1105 15.69,1106 3.625,1107 25.288,1108 12.466,1109 2.724,1110 10.257,1111 22.251,1112 4.633,1113 13.8,1114 17.124,1115 3.004,1116 27.717,1117 13.572,1118 2.658,1119 9.158,1120 24.136,1121 4.104,1122 14.982,1123 18.655,1124 4.073,1125 30.207,1126 14.749,1127 2.414,1128 8.021,1129 26.03,1130 3.398,1131 16.131,1132 20.133,1133 3.661,1134 32.67,1135 15.899,1136 2.394,1137 7.59,1138 27.931,1139 3.186,1140 17.312,1141 21.655,1142 4.559,1143 35.16,1144 17.079,1145 2.265,1146 6.779,1147 29.839,1148 2.882,1149 18.484,1150 23.156,1151 4.308,1152 37.641,1153 18.251,1154 31723,1155 51906,1156 29.937,1157 50.142,1158 66.758,1159 70.05,1160 70.453,1161 66.346,1162 66.427,1163 81.499,1164 14.959,1165 193.524,1166 63.172,1167 5.737,1168 5.926,1169 6.659,1170 5.426,1171 5.365,1172 7.633,1173 2.549,1174 20.231,1175 5.343,1176 22.47,1177 1.484,1178 1.557,1179 1.566,1180 1.474,1181 1.476,1182 1.811,1183 0.332,1184 4.301,1185 1.404,1186 4.141,1187 4.157,1188 4.11,1189 4.087,1190 7.444,1191 4.09,1192 3.955,1193 3.975,1194 3.911,1195 3.853,1196 7.411,1197 3.864,1198 3.865,1199 3.925,1200 3.756,1201 3.669,1202 6.449,1203 3.681,1204 3.643,1205 3.694,1206 3.551,1207 3.439,1208 4.98,1209 3.456,1210 3.543,1211 3.584,1212 3.447,1213 3.41,1214 4.853,1215 3.404,1216 3.488,1217 3.52,1218 3.409,1219 3.333,1220 4.58,1221 3.353,1222 3.341,1223 3.388,1224 3.216,1225 3.112,1226 4.557,1227 3.129,1228 3.303,1229 3.355,1230 3.144,1231 3.051,1232 4.452,1233 3.047,1234 0.105,1235 0.087,1236 0.158,1237 0.097,1238 0.075,1239 4.737,1240 0.103,1241 3.926,1242 0.03,1243 7.091,1244 0.272,1245 4.359,1246 0.074,1247 3.365,1248 4.633,1249 1.349,1250 12.231,1251 3.343,1252 2.104,1253 2.091,1254 2.165,1255 2.17,1256 1.356,1257 2.167,1258 1.889,1259 1.88,1260 2.014,1261 2.039,1262 1.324,1263 2.037,1264 1.808,1265 1.737,1266 1.974,1267 2.008,1268 1.153,1269 1.995,1270 1.583,1271 1.53,1272 1.802,1273 1.817,1274 1.098,1275 1.813,1276 1.492,1277 1.46,1278 1.691,1279 1.71,1280 0.974,1281 1.701,1282 1.469,1283 1.423,1284 1.655,1285 1.6,1286 0.825,1287 1.619,1288 1.271,1289 1.224,1290 1.59,1291 1.558,1292 0.705,1293 1.565,1294 1.227,1295 1.163,1296 1.584,1297 1.551,1298 0.65,1299 1.558,1300 4.511,1302 5.838,1304 7.376,1306 9.019,1308 10.721,1310 4.692,1314 10.572,1315 5.125,1318 21.909,1320 -0.63,1321 5.835,1326 48.023,1327 119.525,1328 263.739,1329 341.31,1330 381.758,1331 395.732,1332 411.997,1333 95.824,1334 8.917,1335 102.7,1336 102.7,1337 30,1338 13.031,1339 4.322,1340 3.524,1341 67.147,1342 271,1343 221,1344 0.119,1345 290.249,1346 518.49,1347 699.967,1348 129019,1350 28.932,1351 0.706,1352 0.58,1353 28.932,1354 23.798,1355 19.927,1356 0.443,1357 0.307,1358 13.506,1359 18.841,1360 13.147,1361 10.838,1362 19.927,1363 13.805,1364 17.391,1365 0.276,1366 0.164,1367 17.391,1368 10.316,1369 15.382,1370 0.177,1371 0.089,1372 15.382,1373 7.733,1374 13.183,1375 0.114,1376 0.048,1377 13.183,1378 5.603,1379 10.81,1380 0.073,1381 0.027,1382 10.81,1383 4.014,1384 0.197,1385 127.4,1386 0.183,1387 37.685,1388 0.298,1389 216,1390 685.498,1391 240.957,1392 632.686,1393 850.82,1394 596,1395 258,1396 597.565,1397 285.733,1398 605.203,1399 893.17,1400 563,1401 4.227}
{0 CHEMBL1428228,1 1.585,2 13.206,3 4.234,4 17.929,5 127.143,6 7.438,7 0.333,8 4.219,9 4.329,10 3.759,11 3.734,12 5.379,13 3.719,14 4.761,15 4.928,16 4.091,17 4.105,18 5.912,19 4.065,20 5.065,21 5.274,22 4.162,23 4.245,24 6.203,25 4.18,26 5.121,27 5.351,28 4.113,29 4.193,30 6.329,31 4.119,32 5.033,33 5.254,34 4.099,35 4.119,36 6.361,37 4.063,38 4.978,39 5.187,40 4.084,41 4.097,42 6.229,43 4.052,44 4.971,45 5.166,46 4.124,47 4.113,48 6.281,49 4.08,50 4.999,51 5.19,52 4.133,53 4.167,54 6.376,55 4.119,56 0.092,57 0.918,58 12.691,59 6.127,60 17.898,61 7.576,62 0.351,63 1.464,64 24.333,65 9.87,66 38.583,67 12.846,68 0.617,69 1.836,70 35.91,71 12.92,72 92.811,73 17.061,74 0.864,75 1.779,76 39.857,77 12.983,78 138.359,79 17.735,80 0.897,81 1.586,82 36.37,83 11.64,84 156.942,85 15.899,86 0.779,87 1.586,88 34.025,89 11.102,90 116.729,91 14.712,92 0.752,93 1.577,94 33.203,95 10.899,96 125.593,97 14.204,98 0.901,99 1.693,100 34.224,101 11.857,102 168.235,103 15.043,104 38,105 48,106 0.254,107 0.589,108 0.76,109 0.847,110 0.861,111 0.861,112 3.56,113 0.94,114 -4.3,115 -4.24,116 -4,120 41.3,122 5,125 1,126 2,128 1,136 2,143 7,144 2,145 3,158 1,159 2,174 11,176 1,177 7,180 1,182 4,185 12,188 1,189 7,192 1,194 3,197 7,201 8,204 2,206 3,209 4,213 3,214 10,217 1,219 3,222 5,226 1,227 11,232 3,235 4,240 11,243 2,245 2,247 7,251 1,252 5,255 1,257 1,260 13,263 2,264 4,269 2,271 18,274 2588,275 22.662,276 22.662,277 22.662,278 22.662,279 22.662,280 20.627,281 24.578,282 13.532,283 23.004,284 17.682,285 17.682,286 17.682,287 17.682,288 17.682,289 14.432,290 29.275,291 6.388,292 18.144,293 4.392,294 2.311,295 1.244,296 0.703,297 0.615,298 0.615,299 4.239,306 1,307 1,308 939,309 4.583,313 423.929,320 1.806,321 56.705,324 1,325 0.83,326 0.83,327 1,328 1,329 1,330 1,331 0.95,332 75.5,333 449,334 4.364,335 3.716,336 6.403,337 3.989,338 2.994,339 4.005,340 1.961,341 9.705,342 2.982,343 4.1,344 3.543,345 6.089,346 3.834,347 2.868,348 3.626,349 1.226,350 8.88,351 2.765,352 3.936,353 3.487,354 5.474,355 3.582,356 2.604,357 3.265,358 0.86,359 7.358,360 2.542,361 3.755,362 2.949,363 5.374,364 3.497,365 2.52,366 3.06,367 0.528,368 6.983,369 2.459,370 3.678,371 2.908,372 5.343,373 3.339,374 2.373,375 2.846,376 0.218,377 6.853,378 2.284,379 3.404,380 2.636,381 4.887,382 3.09,383 2.071,384 2.684,386 5.665,387 2.099,388 3.306,389 2.536,390 4.824,391 3.009,392 2.052,393 2.388,395 5.453,396 1.937,397 3.189,398 2.445,399 4.74,400 2.777,401 1.808,402 2.305,404 4.884,405 1.73,406 2.772,407 1.979,408 4.071,409 2.424,410 1.437,411 1.838,413 3.501,414 1.415,415 2.541,416 1.519,417 3.827,418 2.294,419 1.309,420 1.5,422 3.028,423 1.283,424 2.5,425 1.479,426 3.559,427 2.118,428 1.114,429 1.481,431 2.807,432 1.107,433 2.415,434 1.097,435 3.414,436 2,437 1,438 1.367,440 2.275,441 1,442 2.122,443 1.056,444 3.247,445 2,446 1,447 1,449 2.136,450 1,451 2,452 1,453 2.996,454 1.457,455 0.528,456 0.655,458 0.958,459 0.475,460 1.645,461 1,462 2.911,463 1.268,464 0.28,465 0.404,467 0.523,468 0.274,469 15.752,470 0.463,471 0.821,472 0.024,473 40,474 1.176,475 19,476 0.559,477 21,478 0.618,479 31.071,480 0.914,481 38.248,482 0.607,483 36.006,484 1.059,485 8.075,486 0.238,487 8.275,488 0.243,489 0.135,491 0.311,494 1,496 0.683,497 1.18,498 0.784,499 1.141,500 0.585,501 1.014,502 0.721,503 1.111,504 0.879,505 1.107,506 0.54,507 1.042,508 0.938,509 1.051,510 1,511 1.075,512 0.896,513 1.052,514 0.942,515 0.946,516 0.963,517 0.982,518 0.993,519 0.971,520 0.919,521 0.832,522 0.905,523 0.896,524 1.005,525 0.894,526 1.102,527 0.901,528 0.971,529 0.931,530 1.241,531 0.917,532 1.151,533 0.944,534 0.997,535 0.938,536 1.291,537 0.926,538 1.138,539 0.992,540 1.069,541 0.976,542 1.262,543 0.997,544 7.5,545 0.235,546 3.556,547 2.25,548 1.827,549 1.063,550 0.792,551 0.599,552 0.435,553 0.348,554 16602,555 48544,556 1.994,557 46,558 6,559 17,562 2,564 4,567 1.765,568 1.855,569 3.647,570 0.177,572 1,575 99.866,576 1.585,577 3.666,578 4.733,579 5.275,580 5.362,581 5.362,582 3.072,583 4.735,584 5.057,585 3.839,586 2153.88,587 8.898,588 34505.6,593 376.569,594 1.447,595 5.01,596 0.208,597 0.005,598 0.074,599 0.046,600 0.041,601 0.024,602 0.018,603 0.013,604 0.009,605 0.008,606 0.445,607 0.17,608 0.88,609 0.741,610 183.894,611 -0.047,612 -0.076,613 0.02,614 -0.016,615 -0.033,616 0.012,617 0.011,618 -0.074,619 -0.001,620 -0.064,621 0.057,622 -0.043,623 -0.059,624 -0.051,625 -0.051,626 -0.083,627 -0.038,628 -0.068,629 0.003,630 -0.045,631 0.025,632 -0.03,633 -0.002,634 0.001,635 0.055,636 0.006,637 0.083,638 0.044,639 0.082,640 0.066,641 -0.048,642 0.04,643 0.02,644 0.029,645 -0.085,646 0.041,647 -0.082,648 -0.024,649 -0.014,650 0.018,651 -0.066,652 0.02,653 -0.022,654 0.049,655 -0.084,656 0.015,657 0.014,658 -0.036,659 2.234,660 5.914,661 0.529,662 39.073,663 1.011,664 1.13,665 3.074,666 9.451,667 0.649,668 3.611,669 3.892,670 4.078,671 4.248,672 4.419,673 4.357,674 4.382,675 4.407,676 4.431,677 4.477,678 7.885,679 0.625,680 468.57,681 3.611,682 5.13,683 5.943,684 6.788,685 7.615,686 8.462,687 9.295,688 10.142,689 10.978,690 11.826,691 3.2,698 2,709 7,714 5,716 12,721 1,734 1,735 1,737 1,738 63,739 16,740 2,741 36,743 65,744 26,745 12,746 5,747 7,748 4,752 3,753 3,763 6,766 6,768 17,769 9,772 4,778 3,780 2,782 3,786 1,787 1,789 29,790 8,791 2,792 8,797 2,803 1,804 5,823 3,838 1,839 1,845 2,855 3,859 1,861 1,862 34,868 1,869 7,871 1,872 1,874 1,875 1,885 1,886 7.9,888 1,889 3,891 1,893 18.333,894 11.293,895 7.667,896 3.801,898 2.172,899 1.304,900 0.928,901 9.377,902 9.329,903 3.85,904 4.344,905 4.792,906 5.208,907 5.667,908 5.698,909 5.827,910 5.969,911 6.181,912 6.354,913 0.889,914 49,915 12.744,917 5.475,918 8.093,919 23.619,921 19.023,924 2.593,925 88.167,929 317.82,930 148.332,931 21.135,933 129.118,934 14.96,936 148.332,937 446.938,938 36.095,939 10.883,940 38.019,941 85.286,942 132.661,943 31.735,944 14.96,945 317.82,947 317.82,948 169.467,949 144.078,952 285.695,953 176.202,956 38.019,957 112.495,958 18.952,960 332.78,961 150.253,962 148.332,965 317.82,966 52.162,967 99.294,968 18.011,969 144.078,970 317.82,971 165.213,972 148.332,973 0.573,974 0.326,975 0.166,976 0.091,977 19,978 10,979 0.138,980 9,982 1,983 4.468,984 294.941,986 18,987 164.974,993 25.607,994 12.45,995 7.778,997 165.213,998 9.882,1003 0.388,1005 60.694,1006 631.365,1007 46,1013 38.041,1015 2.129,1017 -1.402,1020 63.723,1021 71.196,1022 0.265,1023 0.613,1024 0.792,1025 0.882,1026 0.897,1027 0.897,1028 5.075,1029 1.808,1030 5.911,1031 5.453,1032 4.575,1033 5.03,1034 2.525,1035 6.648,1036 4.529,1037 6.247,1038 1.437,1039 7.431,1040 4.884,1041 4.111,1042 4.758,1043 1.668,1044 7.402,1045 4.038,1046 7.524,1047 1.309,1048 9.045,1049 3.501,1050 6.107,1051 7.075,1052 3.256,1053 10.436,1054 6.019,1055 8.829,1056 1.114,1057 10.713,1058 3.028,1059 6.415,1060 7.569,1061 3.169,1062 11.988,1063 6.302,1064 10.163,1065 1,1066 12.415,1067 2.807,1068 7.886,1069 9.395,1070 4.31,1071 14.537,1072 7.762,1073 11.515,1074 1,1075 14.143,1076 2.275,1077 8.561,1078 10.257,1079 4.597,1080 16.449,1081 8.415,1082 12.883,1083 0.528,1084 15.888,1085 2.136,1086 9.806,1087 11.869,1088 5.521,1089 18.815,1090 9.651,1091 2.994,1092 0.28,1093 17.649,1094 0.958,1095 10.67,1096 12.936,1097 5.991,1098 20.902,1099 10.498,1100 2.868,1101 9.705,1102 19.422,1103 0.523,1104 11.812,1105 14.44,1106 6.803,1107 23.196,1108 11.632,1109 2.604,1110 8.88,1111 21.204,1112 4.005,1113 12.774,1114 15.628,1115 7.366,1116 25.368,1117 12.581,1118 2.52,1119 7.358,1120 22.995,1121 3.626,1122 13.872,1123 17.073,1124 8.117,1125 27.635,1126 13.671,1127 2.373,1128 6.983,1129 24.794,1130 3.265,1131 14.886,1132 18.334,1133 8.729,1134 29.849,1135 14.675,1136 2.071,1137 6.853,1138 26.599,1139 3.06,1140 15.966,1141 19.747,1142 9.446,1143 32.106,1144 15.748,1145 2.052,1146 5.665,1147 28.41,1148 2.846,1149 17.008,1150 21.053,1151 10.086,1152 34.342,1153 16.783,1154 16248,1155 28006,1156 23.463,1157 40.881,1158 53.269,1159 55.567,1160 54.488,1161 52.235,1162 52.186,1163 65.158,1164 9.586,1165 142.681,1166 50.957,1167 5.364,1168 5.716,1169 6.205,1170 5.015,1171 4.994,1172 7.005,1173 3.436,1174 16.348,1175 4.982,1176 19.22,1177 1.48,1178 1.544,1179 1.514,1180 1.451,1181 1.45,1182 1.81,1183 0.266,1184 3.963,1185 1.415,1186 3.985,1187 4.015,1188 3.932,1189 3.889,1190 8.201,1191 3.895,1192 3.917,1193 3.936,1194 3.866,1195 3.84,1196 7.437,1197 3.842,1198 3.871,1199 3.923,1200 3.752,1201 3.75,1202 7.426,1203 3.739,1204 3.7,1205 3.735,1206 3.634,1207 3.535,1208 7.422,1209 3.554,1210 3.514,1211 3.546,1212 3.433,1213 3.325,1214 6.468,1215 3.345,1216 3.313,1217 3.361,1218 3.23,1219 3.074,1220 4.798,1221 3.098,1222 3.207,1223 3.278,1224 3.058,1225 2.969,1226 4.64,1227 2.979,1228 3.111,1229 3.206,1230 2.914,1231 2.941,1232 4.324,1233 2.91,1234 0.121,1235 0.103,1236 0.178,1237 0.111,1238 0.083,1239 4.364,1240 0.111,1241 3.716,1242 0.054,1243 6.403,1244 0.27,1245 3.989,1246 0.083,1247 2.994,1248 4.005,1249 1.961,1250 9.705,1251 2.982,1252 1.915,1253 1.895,1254 2.095,1255 2.046,1256 1.476,1257 2.059,1258 1.896,1259 1.876,1260 2.021,1261 2.013,1262 1.175,1263 2.019,1264 1.871,1265 1.815,1266 1.98,1267 1.994,1268 1.075,1269 1.99,1270 1.631,1271 1.6,1272 1.768,1273 1.828,1274 0.911,1275 1.811,1276 1.447,1277 1.408,1278 1.632,1279 1.661,1280 0.825,1281 1.649,1282 1.231,1283 1.174,1284 1.555,1285 1.52,1286 0.801,1287 1.525,1288 1.172,1289 1.097,1290 1.513,1291 1.435,1292 0.659,1293 1.451,1294 1.153,1295 1.064,1296 1.48,1297 1.376,1298 0.566,1299 1.429,1300 4.29,1302 5.58,1304 7.05,1306 8.599,1308 10.187,1310 1.439,1312 13.283,1314 10.046,1315 4.986,1317 2.979,1318 5.003,1320 0.096,1321 1.295,1326 39.375,1327 99.866,1328 230.965,1329 298.188,1330 332.304,1331 337.814,1332 337.814,1333 117.327,1334 7.157,1335 95.94,1336 95.94,1337 18,1338 12.388,1339 4.087,1340 3.459,1341 66.995,1342 152,1343 182,1344 0.197,1345 243.485,1346 445.1,1347 585.864,1348 11836,1349 1.6,1350 24.501,1351 0.721,1352 0.563,1353 23.631,1354 19.129,1355 16.351,1356 0.454,1357 0.313,1358 11.105,1359 15.644,1360 10.872,1361 9.027,1362 15.957,1363 11.276,1364 14.463,1365 0.301,1366 0.173,1367 13.841,1368 8.304,1369 11.472,1370 0.198,1371 0.099,1372 11.061,1373 5.751,1374 8.882,1375 0.129,1376 0.057,1377 8.74,1378 3.904,1379 6.99,1380 0.085,1381 0.032,1382 6.699,1383 2.658,1384 0.313,1385 103.377,1386 0.206,1387 31.767,1388 0.532,1389 168,1390 605.181,1391 187.814,1392 547.238,1393 707.85,1394 506,1395 190,1396 482.607,1397 208.121,1398 481.538,1399 692.31,1400 450,1401 5.277}
{0 CHEMBL1428239,1 1.315,2 8.81,3 3.165,4 10.015,5 86.558,6 6.095,7 0.261,8 3.907,9 4.05,10 3.309,11 3.445,12 4.779,13 3.377,14 4.529,15 4.741,16 3.647,17 3.882,18 5.33,19 3.774,20 4.875,21 5.135,22 3.724,23 4.072,24 5.605,25 3.922,26 4.961,27 5.243,28 3.604,29 4.035,30 5.732,31 3.855,32 4.909,33 5.215,34 3.38,35 3.883,36 5.658,37 3.681,38 4.706,39 5.024,40 3.224,41 3.685,42 5.443,43 3.488,44 4.435,45 4.711,46 3.247,47 3.571,48 5.266,49 3.427,50 4.341,51 4.564,52 3.218,53 3.589,54 5.24,55 3.448,56 0.054,57 0.672,58 11.645,59 4.71,60 6.086,61 6.869,62 0.195,63 1.135,64 21.576,65 7.977,66 17.071,67 11.985,68 0.215,69 1.456,70 29.865,71 10.887,72 22.806,73 16.383,74 0.304,75 1.487,76 32.542,77 11.266,78 36.447,79 17.021,80 0.31,81 1.322,82 30.681,83 10.144,84 37.212,85 15.497,86 0.293,87 1.055,88 24.828,89 8.49,90 29.646,91 12.804,92 0.169,93 0.853,94 19.094,95 7.06,96 21.796,97 10.224,98 0.158,99 0.84,100 17.676,101 6.73,102 23.809,103 9.645,104 5,105 31,106 0.23,107 0.507,108 0.719,109 0.848,110 0.878,111 0.893,112 3.103,113 1.087,114 -4.34,115 -4.28,116 -4.04,120 38.3,121 1,122 5,123 1,126 3,128 1,143 4,144 2,159 1,174 11,177 5,180 1,182 2,185 11,189 4,194 3,197 7,201 4,204 1,206 5,209 6,214 2,219 2,222 5,226 1,227 3,232 1,235 7,240 3,247 9,252 4,260 10,264 1,271 7,274 515,275 14.397,276 14.397,277 14.397,278 14.397,279 14.397,280 13.501,281 18.043,282 8.652,283 14.535,284 11.343,285 11.343,286 11.343,287 11.343,288 11.343,289 10.015,290 23.708,291 4.063,292 11.551,293 4.24,294 2.651,295 1.436,296 0.697,297 0.527,298 0.442,299 3.787,305 1,306 1,307 1,308 400,309 2.739,313 170.025,317 87.806,320 1.188,321 13.342,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 44,333 185,334 4.311,335 3.589,336 6.507,337 4.005,338 3.038,339 3.916,340 1.058,341 10.198,342 2.972,343 4.029,344 3.216,345 6.384,346 3.941,347 2.942,348 3.032,349 0.8,350 9.617,351 2.903,352 3.425,353 2.643,354 5.212,355 3.135,356 2.168,357 2.655,359 6.281,360 2.095,361 3.092,362 2.267,363 4.886,364 2.953,365 1.953,366 2.104,368 5.275,369 1.94,370 2.861,371 1.674,372 4.172,373 2.602,374 1.618,375 2.015,377 3.804,378 1.59,379 2.618,380 1.511,381 3.847,382 2.414,383 1.414,384 1.618,386 3.125,387 1.414,388 2.579,389 1.368,390 3.601,391 2.268,392 1.281,393 1.574,395 2.887,396 1.262,397 2.276,398 1.31,399 3.574,400 2.16,401 1.18,402 1.273,404 2.751,405 1.153,406 2.024,407 1.268,408 3.348,409 1.919,410 0.92,411 0.987,413 2.146,414 0.916,415 1.553,416 0.821,417 2.937,418 1.4,419 0.415,420 0.453,422 0.938,423 0.406,424 1.092,425 0.167,426 2.397,427 0.764,428 -0.239,429 -0.277,431 -0.528,432 -0.238,433 0.698,434 -0.093,435 2.227,436 0.581,437 -0.415,438 -0.465,440 -0.967,441 -0.411,442 0.624,443 -0.516,444 2,445 0.367,446 -0.618,447 -0.618,449 -1.478,450 -0.608,451 0.382,452 -0.558,453 2,454 0.165,455 -0.848,456 -0.947,458 -2.015,459 -0.85,460 0.174,461 -0.792,462 1.85,463 0.066,464 -0.92,465 -1.204,467 -2.234,468 -0.908,469 10.133,470 0.483,471 0.418,472 0.02,473 20.5,474 0.976,475 7.5,476 0.357,477 13,478 0.619,479 21.115,480 1.005,481 24.067,482 0.512,483 11.89,484 0.566,485 3.501,486 0.167,487 6.753,488 0.322,489 0.082,491 0.286,496 0.748,497 1.404,498 0.994,499 1.216,500 0.539,501 1.136,502 0.827,503 1.193,504 1.062,505 1.111,506 0.492,507 1.098,508 0.921,509 1.128,510 1.016,511 1.075,512 0.68,513 1.051,514 1.166,515 1.08,516 1.09,517 1.081,518 1.044,519 1.076,520 1.436,521 0.941,522 1.046,523 0.923,524 1.483,525 0.946,526 1.179,527 0.742,528 0.873,529 0.762,530 1.369,531 0.788,532 1.351,533 0.829,534 0.863,535 0.834,536 1.761,537 0.819,538 1.627,539 1.143,540 1.227,541 1.146,542 2.076,543 1.166,544 3,545 0.029,546 2.667,547 1.438,548 0.778,549 0.389,550 0.326,551 0.226,552 0.148,553 0.073,554 4491,555 8041,556 2.102,557 55.3,558 7,559 11,562 1,564 6,565 1,567 1.63,568 2,569 3.13,570 -0.385,571 1,572 1,575 61.796,576 1.315,577 2.903,578 4.119,579 4.858,580 5.028,581 5.113,582 2.434,583 4.107,584 4.371,585 3.251,586 682.699,587 7.476,588 7341.33,590 1,592 1,593 261.066,594 1.268,595 4.338,596 0.13,597 0.005,598 0.086,599 0.045,600 0.03,601 0.019,602 0.018,603 0.011,604 0.008,605 0.005,606 0.358,607 0.83,608 1,609 0.532,610 94.988,611 0.013,612 -0.107,613 0.06,614 -0.011,615 0.015,616 0.021,617 0.068,618 -0.016,619 -0.032,620 -0.036,621 0.087,622 -0.041,623 -0.023,624 -0.08,625 -0.024,626 -0.066,627 0.05,628 -0.047,629 -0.026,630 -0.089,631 -0.094,632 -0.128,633 0.038,634 -0.118,635 -0.111,636 -0.019,637 -0.051,638 -0.018,639 -0.082,640 -0.028,641 0.053,642 0.151,643 0.105,644 0.14,645 -0.033,646 0.13,647 -0.031,648 0.114,649 0.138,650 0.15,651 -0.089,652 0.158,653 -0.206,654 -0.102,655 -0.193,656 -0.09,657 -0.237,658 -0.138,659 1.582,660 5.343,661 0.762,662 13.311,663 0.982,664 1.132,665 3.115,666 9.7,667 0.63,668 3.178,669 3.466,670 3.738,671 3.951,672 4.111,673 4.007,674 4.078,675 4.127,676 4.19,677 4.078,678 5.367,679 0.576,680 286.46,681 3.178,682 4.691,683 5.533,684 6.392,685 7.246,686 8.109,687 8.966,688 9.83,689 10.689,690 11.553,691 4.3,694 1,698 1,709 4,714 2,716 6,723 1,738 47,739 7,740 1,741 23,743 49,744 18,745 6,746 2,747 4,748 1,752 3,753 4,759 1,763 6,764 1,766 6,768 7,769 11,770 1,772 1,778 1,782 1,785 1,786 1,789 26,790 3,791 1,792 3,797 2,803 0.667,804 1,823 3,827 1,851 1,855 2,859 1,862 21,869 8,871 1,874 2,875 1,886 2.1,889 1,893 10.5,894 8.367,895 4.694,896 3.232,898 1.053,899 1.157,900 0.957,901 4.717,902 7.757,903 3.332,904 3.773,905 4.216,906 4.604,907 4.935,908 4.792,909 4.891,910 4.872,911 4.922,912 5.052,913 0.833,914 32,915 7.857,917 3.314,918 7.46,919 15.841,921 13.614,924 1.96,925 41.167,926 0.002,928 1,929 294.278,930 76.796,931 21.135,933 25.145,936 76.796,937 319.422,938 21.135,939 8.825,940 37.001,941 37.905,942 29.85,943 9.495,945 294.278,947 294.278,948 97.931,949 25.145,952 211.88,953 107.543,956 48.95,957 48.981,960 294.278,961 46.28,962 76.796,965 294.278,966 30.066,967 49.855,968 18.011,969 25.145,970 294.278,971 46.28,972 76.796,973 0.573,974 0.344,975 0.188,976 0.094,977 15,978 6,979 0.061,980 3,981 1,982 1.125,983 3.39,984 157.761,985 0.125,986 16,987 88.239,993 14.743,994 6.72,995 3.357,997 46.28,998 7.829,1003 1.867,1005 18.011,1006 417.353,1007 27,1013 12.343,1017 0.084,1020 46.134,1021 53.188,1022 0.237,1023 0.523,1024 0.742,1025 0.875,1026 0.905,1027 0.92,1028 4.57,1029 1.18,1030 5.493,1031 2.887,1032 4.143,1033 4.454,1034 1.435,1035 6.279,1036 4.108,1037 5.695,1038 0.92,1039 7.036,1040 2.751,1041 3.611,1042 4.06,1043 0.325,1044 7.168,1045 3.563,1046 6.958,1047 0.415,1048 8.688,1049 2.146,1050 5.7,1051 6.401,1052 1.379,1053 10.273,1054 5.626,1055 8.252,1056 -0.239,1057 10.406,1058 0.938,1059 6.043,1060 6.882,1061 0.268,1062 12.03,1063 5.954,1064 9.587,1065 -0.415,1066 12.168,1067 -0.528,1068 7.565,1069 8.706,1070 1.406,1071 14.626,1072 7.453,1073 10.947,1074 -0.618,1075 13.959,1076 -0.967,1077 8.319,1078 9.605,1079 0.188,1080 16.71,1081 8.193,1082 12.327,1083 -0.848,1084 15.77,1085 -1.478,1086 9.599,1087 11.209,1088 1.462,1089 19.128,1090 9.451,1091 3.038,1092 -0.92,1093 17.595,1094 -2.015,1095 10.544,1096 12.317,1097 0.125,1098 21.341,1099 10.381,1100 2.942,1101 10.198,1102 19.43,1103 -2.234,1104 11.72,1105 13.816,1106 1.533,1107 23.691,1108 11.536,1109 2.168,1110 9.617,1111 21.272,1112 3.916,1113 12.751,1114 15.034,1115 0.082,1116 25.956,1117 12.55,1118 1.953,1119 6.281,1120 23.119,1121 3.032,1122 13.882,1123 16.476,1124 1.613,1125 28.279,1126 13.662,1127 1.618,1128 5.275,1129 24.971,1130 2.655,1131 14.951,1132 17.757,1133 0.054,1134 30.567,1135 14.712,1136 1.414,1137 3.804,1138 26.825,1139 2.104,1140 16.063,1141 19.167,1142 1.698,1143 32.88,1144 15.805,1145 1.281,1146 3.125,1147 28.682,1148 2.015,1149 17.149,1150 20.482,1151 0.035,1152 35.178,1153 16.872,1154 4331,1155 5880,1156 15.603,1157 29.603,1158 34.058,1159 34.916,1160 35.022,1161 33.854,1162 33.86,1163 39.256,1164 3.717,1165 94.043,1166 33.302,1167 5.311,1168 5.589,1169 6.196,1170 5.051,1171 5.038,1172 6.916,1173 2.117,1174 16.99,1175 4.972,1176 7.721,1177 1.481,1178 1.518,1179 1.523,1180 1.472,1181 1.472,1182 1.707,1183 0.162,1184 4.089,1185 1.448,1186 3.995,1187 4.047,1188 3.912,1189 3.897,1190 7.429,1191 3.895,1192 3.916,1193 3.951,1194 3.825,1195 3.816,1196 4.72,1197 3.811,1198 3.587,1199 3.658,1200 3.433,1201 3.447,1202 4.415,1203 3.429,1204 3.429,1205 3.501,1206 3.292,1207 3.221,1208 4.069,1209 3.228,1210 3.202,1211 3.265,1212 3.054,1213 3.041,1214 3.899,1215 3.033,1216 3.166,1217 3.253,1218 2.958,1219 2.997,1220 3.88,1221 2.984,1222 2.967,1223 3.045,1224 2.751,1225 2.791,1226 3.607,1227 2.768,1228 2.907,1229 3.01,1230 2.695,1231 2.677,1232 3.51,1233 2.669,1234 0.187,1235 0.156,1236 0.283,1237 0.174,1238 0.132,1239 4.311,1240 0.17,1241 3.589,1242 0.046,1243 6.507,1244 0.443,1245 4.005,1246 0.129,1247 3.038,1248 3.916,1249 1.058,1250 10.198,1251 2.972,1252 1.948,1253 1.912,1254 2.131,1255 2.104,1256 1.54,1257 2.117,1258 1.916,1259 1.872,1260 2.042,1261 2.011,1262 1.233,1263 2.022,1264 1.604,1265 1.537,1266 1.872,1267 1.783,1268 1.148,1269 1.815,1270 1.392,1271 1.32,1272 1.661,1273 1.636,1274 0.977,1275 1.647,1276 1.21,1277 1.136,1278 1.553,1279 1.418,1280 0.729,1281 1.469,1282 1.167,1283 1.102,1284 1.459,1285 1.405,1286 0.604,1287 1.425,1288 0.978,1289 0.906,1290 1.27,1291 1.207,1292 0.556,1293 1.231,1294 0.904,1295 0.803,1296 1.245,1297 1.178,1298 0.425,1299 1.214,1300 3.85,1302 5.142,1304 6.65,1306 8.256,1308 9.908,1310 1.998,1315 9.887,1317 3.177,1320 1.33,1321 2.65,1326 27.079,1327 61.796,1328 136.462,1329 193.582,1330 228.311,1331 236.311,1332 240.311,1333 32.761,1334 6.704,1335 32.34,1336 32.34,1337 18,1338 12.101,1339 3,1340 2.322,1341 32.241,1342 69,1343 54,1344 0.233,1345 167.128,1346 292.21,1347 399.551,1348 7017,1350 14.656,1351 0.698,1352 0.618,1353 14.656,1354 12.976,1355 10.254,1356 0.446,1357 0.362,1358 8.27,1359 10.021,1360 8.061,1361 6.686,1362 10.254,1363 8.334,1364 8.88,1365 0.286,1366 0.211,1367 8.88,1368 6.526,1369 7.625,1370 0.186,1371 0.125,1372 7.625,1373 5.143,1374 6.311,1375 0.124,1376 0.078,1377 6.311,1378 3.962,1379 4.904,1380 0.082,1381 0.049,1382 4.904,1383 2.945,1384 0.362,1385 63.131,1386 0.253,1387 20.829,1388 0.642,1389 108,1390 229.714,1391 114.35,1392 225.051,1393 309.42,1394 212,1395 126,1396 224.791,1397 132.823,1398 229.32,1399 335.13,1400 217,1401 4.73}
{0 CHEMBL1428587,1 1.814,2 13.31,3 4.215,4 17.764,5 115.954,6 8.99,7 0.367,8 4.068,9 4.181,10 3.817,11 3.587,12 5.197,13 3.542,14 4.603,15 4.772,16 4.259,17 3.942,18 5.765,19 3.877,20 4.836,21 5.016,22 4.243,23 4.056,24 5.908,25 3.955,26 4.968,27 5.233,28 4.13,29 3.987,30 6.014,31 3.899,32 4.814,33 4.991,34 4.186,35 3.881,36 6.207,37 3.844,38 4.687,39 4.865,40 4.077,41 3.92,42 5.876,43 3.803,44 4.601,45 4.783,46 4.16,47 3.932,48 5.625,49 3.809,50 4.819,51 5.038,52 4.07,53 3.947,54 5.851,55 3.799,56 0.11,57 0.778,58 9.421,59 5.254,60 11.409,61 6.3,62 0.539,63 1.174,64 25.227,65 8.974,66 47.147,67 11.108,68 0.679,69 1.377,70 37.201,71 10.664,72 63.838,73 12.779,74 0.694,75 1.436,76 48.216,77 11.581,78 68.465,79 15.038,80 1.279,81 1.259,82 31.426,83 8.105,84 127.45,85 9.465,86 0.738,87 1.178,88 34.14,89 10.129,90 83.149,91 10.899,92 0.32,93 1.19,94 34.222,95 10.505,96 32.599,97 11.953,98 0.657,99 1.302,100 44.882,101 10.614,102 59.72,103 12.876,104 73,105 42,106 0.304,107 0.61,108 0.718,109 0.776,110 0.776,111 0.776,112 3.407,113 1.082,114 -4.58,115 -4.5,116 -4.24,118 1,120 35.2,121 5,123 1,126 1,128 1,131 1,143 4,145 2,159 1,160 1,162 1,163 1,167 1,174 4,176 3,177 5,180 3,182 3,185 8,189 4,192 2,194 5,197 4,201 12,204 1,206 3,213 6,214 8,217 2,219 2,222 3,226 3,230 1,235 7,240 13,247 6,252 10,255 1,256 1,257 1,260 1,264 4,269 2,271 3,274 1445,275 18.256,276 18.256,277 18.256,278 18.256,279 18.256,280 16.602,281 22.755,282 10.697,283 18.887,284 14.815,285 14.815,286 14.815,287 14.815,288 14.815,289 12.26,290 30.934,291 5.136,292 15.899,293 3.941,294 2.117,295 1.47,296 1.126,297 1.126,298 1.126,299 4.064,307 1,308 780,309 5,312 99.731,313 119.152,320 2.093,321 34.429,324 1,325 0.83,326 0.83,327 1,328 1,329 1,330 1,331 0.95,332 63.75,333 386,334 4.259,335 4.462,336 6.471,337 4.08,338 3.141,339 3.798,340 3.359,341 10.189,342 2.944,343 4.145,344 3.774,345 6.41,346 3.961,347 2.998,348 3.628,349 2.187,350 9.871,351 2.883,352 4.043,353 3.581,354 5.53,355 3.639,356 2.681,357 3.212,358 1.737,359 7.504,360 2.56,361 3.727,362 3.249,363 5.431,364 3.405,365 2.492,366 2.926,367 0.599,368 7.149,369 2.269,370 3.623,371 3.072,372 5.023,373 3.23,374 2.288,375 2.827,376 0.232,377 6.055,378 2.143,379 3.371,380 2.907,381 4.88,382 3.028,383 2.056,384 2.521,385 0.146,386 5.612,387 1.971,388 3.272,389 2.604,390 4.73,391 2.832,392 1.911,393 2.455,395 5.162,396 1.627,397 2.904,398 2.368,399 4.615,400 2.609,401 1.672,402 1.968,404 4.583,405 1.535,406 2.5,407 1.926,408 3.491,409 2,410 1,411 1.5,413 2.275,414 1,415 2.236,416 1.206,417 3.414,418 1.819,419 0.882,420 1.132,422 2.102,423 0.814,424 1.839,425 1,426 3.273,427 1.549,428 0.584,429 0.721,431 1.509,432 0.559,433 1.685,434 0.836,435 3.121,436 1.35,437 0.494,438 0.559,440 1.208,441 0.407,442 1.394,443 0.782,444 2.881,445 0.944,446 0.055,447 0.068,449 0.122,450 0.038,451 0.884,452 0.675,453 2.546,454 0.553,455 -0.357,456 -0.382,458 -1.073,459 -0.318,460 0.713,461 0.348,462 2.226,463 0.295,464 -0.642,465 -0.76,467 -1.591,468 -0.431,469 14.6,470 0.503,471 1.055,472 0.036,473 32,474 1.103,475 14,476 0.483,477 18,478 0.621,479 32.074,480 1.106,481 32.8,482 0.607,483 22.79,484 0.786,485 5.667,486 0.195,487 7.863,488 0.271,489 0.308,490 0.034,491 0.274,496 0.76,497 1.326,498 0.547,499 0.968,500 0.634,501 0.989,502 0.529,503 1.2,504 0.606,505 0.997,506 0.438,507 0.898,508 1.322,509 1.205,510 0.976,511 1.066,512 1.144,513 1.145,514 1.059,515 0.919,516 0.652,517 0.729,518 0.877,519 0.714,520 1.771,521 0.774,522 0.548,523 0.675,524 2.124,525 0.84,526 1.503,527 0.914,528 0.852,529 1,530 1.661,531 0.981,532 0.628,533 1.471,534 0.804,535 1.514,536 0.438,537 1.187,538 1.19,539 1.144,540 0.771,541 0.962,542 0.824,543 1.217,544 9,545 0.145,546 2.889,547 2.097,548 1.712,549 0.834,550 0.976,551 0.346,552 0.325,553 0.241,554 10821,555 35479,556 1.892,557 46.3,558 6,559 7,562 2,564 10,567 1.716,568 1.714,569 3.653,570 0.33,572 1,575 97.957,576 1.814,577 3.638,578 4.285,579 4.629,580 4.629,581 4.629,582 3.112,583 4.09,584 4.828,585 3.875,586 1573.14,587 8.39,588 22729.2,593 310.764,594 1.719,595 4.74,596 0.3,597 0.007,598 0.069,599 0.057,600 0.044,601 0.023,602 0.03,603 0.01,604 0.012,605 0.01,606 0.561,607 0.17,608 0.88,609 1.616,610 151.072,611 -0.025,612 -0.081,613 0.012,614 -0.026,615 -0.066,616 -0.019,617 0.367,618 -0.09,619 0.088,620 -0.01,621 0.251,622 0.081,623 -0.186,624 -0.172,625 -0.084,626 -0.114,627 -0.209,628 -0.199,629 -0.049,630 -0.003,631 0.059,632 0.102,633 0.05,634 0.223,635 -0.045,636 0.277,637 -0.041,638 0.137,639 -0.118,640 -0.032,641 -0.188,642 0.157,643 -0.089,644 0.077,645 -0.167,646 -0.033,647 0.079,648 -0.324,649 -0.003,650 -0.305,651 0.128,652 -0.134,653 -0.184,654 -0.15,655 -0.039,656 -0.119,657 -0.144,658 -0.291,659 2.225,660 5.091,661 0.379,662 32.442,663 1.014,664 1.133,665 3.347,666 11.204,667 0.671,668 3.434,669 3.761,670 3.829,671 4.043,672 4.111,673 4.094,674 4.19,675 4.043,676 4.025,677 4.127,678 7.809,679 0.629,680 485.45,681 3.434,682 4.977,683 5.765,684 6.635,685 7.442,686 8.31,687 9.128,688 9.993,689 10.818,690 11.681,691 7.4,698 2,701 2,709 4,710 2,712 1,714 4,716 11,737 1,738 54,739 13,740 1,741 30,742 1,743 55,744 19,745 8,746 2,747 4,752 2,753 2,759 5,766 1,768 10,769 9,770 2,772 2,778 2,782 2,789 25,790 8,791 2,792 10,793 2,797 4,803 1,804 4,822 1,823 1,838 1,852 1,855 2,856 1,857 1,858 1,859 5,862 29,869 1,871 2,872 1,873 1,874 2,876 1,885 1,886 7.4,889 2,891 2,893 16.917,894 11.126,895 6.264,896 3.113,898 1.894,899 1.277,900 0.901,901 8.704,902 8.733,903 3.651,904 4.171,905 4.501,906 4.99,907 5.275,908 5.288,909 5.468,910 5.536,911 5.433,912 5.765,913 0.889,914 37,915 10.735,917 4.409,918 7.914,919 20.041,921 15.559,924 2.414,925 70,929 270.735,930 140.834,931 115.302,933 70.797,935 32.22,936 154.569,937 341.532,938 69.348,939 44.126,940 36.921,941 37.905,942 93.341,943 29.704,944 6.763,945 302.955,946 45.954,947 270.735,948 177.962,949 70.797,950 32.22,951 45.954,952 153.024,953 188.508,956 89.452,957 55.184,958 33.326,959 78.174,960 270.735,961 140.145,962 186.788,965 270.735,966 58.803,967 82.031,968 81.976,969 104.123,970 270.735,971 140.145,972 186.788,973 0.589,974 0.295,975 0.153,976 0.08,977 17,978 10,979 0.164,980 9,982 1,983 3.999,984 227.814,986 11,987 130.127,989 1,993 23.872,994 10.574,995 8.466,997 140.145,998 7.285,999 7.974,1001 5.639,1003 2.152,1005 36.022,1006 597.668,1007 37.5,1013 24.17,1017 -0.748,1020 54.742,1021 61.16,1022 0.315,1023 0.632,1024 0.745,1025 0.804,1026 0.804,1027 0.804,1028 4.903,1029 1.672,1030 5.802,1031 5.162,1032 4.443,1033 4.856,1034 3.626,1035 6.581,1036 4.313,1037 6.114,1038 1,1039 7.353,1040 4.583,1041 4.29,1042 4.745,1043 2.29,1044 7.63,1045 4.108,1046 7.416,1047 0.882,1048 9.002,1049 2.275,1050 6.071,1051 6.897,1052 5.687,1053 10.522,1054 5.827,1055 8.742,1056 0.584,1057 10.707,1058 2.102,1059 6.621,1060 7.458,1061 4.235,1062 12.316,1063 6.331,1064 10.089,1065 0.494,1066 12.446,1067 1.509,1068 7.974,1069 9.184,1070 7.992,1071 14.812,1072 7.628,1073 11.451,1074 0.055,1075 14.21,1076 1.208,1077 8.825,1078 10.059,1079 6.339,1080 16.907,1081 8.43,1082 12.824,1083 -0.357,1084 15.991,1085 0.122,1086 10.025,1087 11.602,1088 10.37,1089 19.276,1090 9.579,1091 3.141,1092 -0.642,1093 17.787,1094 -1.073,1095 11.016,1096 12.65,1097 8.674,1098 21.496,1099 10.517,1100 2.998,1101 10.189,1102 19.595,1103 -1.591,1104 12.158,1105 14.098,1106 12.77,1107 23.823,1108 11.608,1109 2.681,1110 9.871,1111 21.412,1112 3.798,1113 13.215,1114 15.25,1115 11.151,1116 26.094,1117 12.611,1118 2.492,1119 7.504,1120 23.237,1121 3.628,1122 14.339,1123 16.645,1124 15.179,1125 28.408,1126 13.682,1127 2.288,1128 7.149,1129 25.068,1130 3.212,1131 15.429,1132 17.859,1133 13.679,1134 30.7,1135 14.715,1136 2.056,1137 6.055,1138 26.905,1139 2.926,1140 16.548,1141 19.224,1142 17.591,1143 33.01,1144 15.78,1145 1.911,1146 5.612,1147 28.746,1148 2.827,1149 17.654,1150 20.477,1151 16.217,1152 35.311,1153 16.829,1154 11006,1155 20184,1156 18.493,1157 36.216,1158 45.493,1159 49.147,1160 45.74,1161 44.539,1162 44.506,1163 54.63,1164 16.523,1165 126.679,1166 41.503,1167 5.182,1168 6.462,1169 5.886,1170 5.217,1171 5.141,1172 6.798,1173 6.685,1174 16.806,1175 4.944,1176 20.398,1177 1.516,1178 1.638,1179 1.525,1180 1.485,1181 1.484,1182 1.821,1183 0.551,1184 4.223,1185 1.383,1186 3.939,1187 3.969,1188 6.88,1189 3.866,1190 7.435,1191 3.849,1192 3.883,1193 3.915,1194 4.038,1195 3.709,1196 7.428,1197 3.723,1198 3.727,1199 3.768,1200 3.768,1201 3.553,1202 5.236,1203 3.551,1204 3.599,1205 3.646,1206 3.692,1207 3.485,1208 4.762,1209 3.442,1210 3.471,1211 3.508,1212 3.565,1213 3.228,1214 4.568,1215 3.262,1216 3.303,1217 3.347,1218 3.375,1219 2.989,1220 4.241,1221 3.036,1222 2.933,1223 3.009,1224 3.194,1225 2.886,1226 3.993,1227 2.828,1228 2.874,1229 3.009,1230 3.026,1231 2.735,1232 3.934,1233 2.715,1234 0.142,1235 0.149,1236 0.216,1237 0.136,1238 0.105,1239 4.259,1240 0.127,1241 4.462,1242 0.112,1243 6.471,1244 0.34,1245 4.08,1246 0.098,1247 3.141,1248 3.798,1249 3.359,1250 10.189,1251 2.944,1252 1.884,1253 1.86,1254 1.975,1255 1.974,1256 1.245,1257 1.982,1258 1.758,1259 1.708,1260 1.962,1261 1.959,1262 1.117,1263 1.958,1264 1.686,1265 1.633,1266 1.941,1267 1.874,1268 1.074,1269 1.898,1270 1.471,1271 1.456,1272 1.564,1273 1.652,1274 0.836,1275 1.657,1276 1.258,1277 1.203,1278 1.469,1279 1.559,1280 0.577,1281 1.541,1282 1.067,1283 1.054,1284 1.417,1285 1.377,1286 0.469,1287 1.308,1288 0.963,1289 0.937,1290 1.417,1291 1.339,1292 0.469,1293 1.308,1294 0.934,1295 0.821,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 4.111,1302 5.434,1303 2.398,1304 6.899,1305 4.595,1306 8.43,1307 6.581,1308 9.998,1309 3.347,1310 9.211,1315 0.115,1317 5.546,1318 5.289,1319 1.124,1320 -0.496,1322 -0.607,1326 33.952,1327 97.957,1328 196.444,1329 231.406,1330 249.97,1331 249.97,1332 249.97,1333 84.324,1334 6.839,1335 106.35,1336 131.65,1337 11,1338 12.237,1339 3.807,1340 3.087,1341 65.843,1342 137,1343 139,1344 0.234,1345 223.953,1346 389.21,1347 538.206,1348 8351,1349 1.9,1350 21.604,1351 0.745,1352 0.669,1353 22.958,1354 19.387,1355 13.531,1356 0.451,1357 0.361,1358 9.033,1359 11.889,1360 8.466,1361 7.165,1362 14.562,1363 10.823,1364 13.497,1365 0.321,1366 0.225,1367 14.891,1368 9.46,1369 8.618,1370 0.192,1371 0.107,1372 9.914,1373 4.829,1374 7.139,1375 0.127,1376 0.054,1377 8.088,1378 3.044,1379 5.054,1380 0.084,1381 0.033,1382 6.216,1383 1.987,1384 0.378,1385 98.555,1386 0.233,1387 28.207,1388 0.609,1389 144,1390 498.413,1391 255.429,1392 525.983,1393 686.7,1394 486,1395 159,1396 458.296,1397 225.815,1398 481.251,1399 692.86,1400 446,1401 4.006}
{0 CHEMBL1428823,1 1.383,2 7.714,3 3.574,4 12.773,5 76.01,6 8.976,7 0.833,8 3.603,9 3.653,10 3.327,11 3.232,12 4.881,13 3.252,14 4.057,15 4.12,16 3.713,17 3.621,18 5.317,19 3.638,20 4.251,21 4.359,22 3.755,23 3.669,24 5.571,25 3.672,26 4.274,27 4.373,28 3.76,29 3.605,30 5.694,31 3.632,32 4.215,33 4.332,34 3.567,35 3.473,36 5.573,37 3.475,38 4.053,39 4.205,40 3.283,41 3.284,42 5.39,43 3.253,44 3.798,45 3.973,46 3.006,47 2.998,48 5.085,49 2.962,50 3.524,51 3.664,52 2.783,53 2.757,54 4.855,55 2.749,56 0.095,57 0.333,58 3.93,59 2.705,60 8.681,61 2.52,62 0.167,63 0.537,64 6.696,65 4.364,66 12.541,67 4.078,68 0.335,69 0.685,70 10.651,71 5.64,72 30.912,73 5.765,74 0.397,75 0.696,76 11.175,77 5.642,78 39.795,79 5.269,80 0.527,81 0.668,82 11.751,83 5.415,84 48.989,85 5.043,86 0.38,87 0.586,88 10.795,89 4.856,90 46.593,91 5.026,92 0.314,93 0.463,94 9.239,95 3.879,96 30.319,97 4.324,98 0.205,99 0.338,100 6.288,101 2.767,102 22.484,103 2.603,104 5,105 35,106 0.252,107 0.568,108 0.751,109 0.867,110 0.89,111 0.902,112 3.105,113 0.807,114 -3.03,115 -3.03,116 -2.92,120 54.8,143 7,144 4,145 1,152 2,153 2,158 1,174 9,177 6,182 2,185 9,188 1,189 6,194 3,197 9,200 1,201 5,206 3,209 8,213 1,214 4,217 1,219 1,222 6,227 4,230 1,235 3,240 4,243 1,245 1,247 3,252 3,257 1,260 4,264 1,271 3,274 491,275 14.483,276 14.483,277 14.483,278 14.483,279 14.483,280 12.106,281 3.448,282 8.419,283 14.492,284 11.838,285 11.838,286 11.838,287 11.838,288 11.838,289 8.231,290 1.579,291 3.962,292 11.849,293 3.571,294 1.837,295 0.827,296 0.194,297 0.065,299 3.801,305 1,306 1,307 1,308 362,309 2.55,312 78.546,313 78.507,316 57.165,317 66.183,320 1.279,321 26.475,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46,333 162,334 4.779,335 3.626,336 6.956,337 4.316,338 3.316,339 4.853,341 11.768,342 3.318,343 4.329,344 3.239,345 6.499,346 3.944,347 2.933,348 4.012,350 10.042,351 2.961,352 3.963,353 2.622,354 5.942,355 3.507,356 2.509,357 3.59,359 8.154,360 2.502,361 3.6,362 2.28,363 5.467,364 3.138,365 2.159,366 3.076,368 6.732,369 2.107,370 3.291,371 2.173,372 4.867,373 2.826,374 1.817,375 2.604,377 5.074,378 1.829,379 2.928,380 1.584,381 4,382 2.43,383 1.424,384 2.117,386 3.207,387 1.432,388 2.725,389 1.287,390 3.857,391 2.232,392 1.229,393 1.823,395 3.008,396 1.232,397 2.47,398 1.059,399 3.693,400 2,401 1,402 1.455,404 2.526,405 1,406 2.373,407 1.045,408 3.544,409 1.906,410 0.93,411 1.319,413 2.299,414 0.903,415 2.128,416 1,417 3.11,418 1.618,419 0.618,420 0.927,422 1.372,423 0.618,424 2.118,425 0.618,426 3,427 1.546,428 0.493,429 0.777,431 1.225,432 0.515,433 1.139,434 0.034,435 2.677,436 0.692,437 -0.283,438 -0.383,440 -0.705,441 -0.272,442 0.984,443 -0.509,444 2.506,445 0.486,446 -0.513,447 -0.767,449 -1.36,450 -0.512,451 0.57,452 -0.606,453 2.038,454 0.094,455 -0.885,456 -1.245,458 -2.128,459 -0.86,460 0.311,461 -0.835,462 2,463 -0.1,464 -1.13,465 -1.525,467 -2.769,468 -1.121,469 9.833,470 0.468,471 0.504,472 0.024,473 31.5,474 1.5,475 18,476 0.857,477 13.5,478 0.643,479 12.041,480 0.573,481 20.767,482 0.67,483 21.744,484 1.035,485 6.473,486 0.308,487 3.781,488 0.18,489 0.068,491 0.407,496 0.814,497 0.864,498 0.629,499 0.837,500 0.729,501 0.72,502 0.89,503 0.978,504 0.749,505 0.956,506 0.674,507 0.849,508 0.869,509 1.007,510 0.835,511 0.996,512 0.855,513 0.93,514 1.184,515 1.097,516 0.95,517 1.071,518 1.318,519 0.974,520 1.212,521 1.008,522 1.156,523 1.011,524 1.362,525 1.051,526 1.07,527 1.048,528 1.158,529 1.061,530 0.877,531 1.116,532 0.947,533 0.93,534 1.009,535 0.939,536 1.098,537 0.978,538 1.43,539 1.009,540 1.241,541 1.004,542 1.527,543 1.047,544 3,545 0.005,546 2.889,547 1.687,548 1.423,549 0.699,550 0.36,551 0.196,552 0.097,553 0.021,554 4224,555 12864,556 2.185,557 32.3,559 7,560 2,562 1,567 1.636,568 2.066,569 2.96,570 -0.338,572 1,574 1,575 42.874,576 1.383,577 3.118,578 4.127,579 4.761,580 4.89,581 4.954,582 2.453,583 3.88,584 4.365,585 3.067,586 643.976,587 7.499,588 6486.96,589 1,590 1,591 1,592 1,593 153.58,594 1.342,595 4.334,596 0.125,597 0.002,598 0.083,599 0.048,600 0.042,601 0.026,602 0.018,603 0.013,604 0.008,605 0.003,606 0.368,607 0.67,608 1,609 0.532,610 92.246,611 -0.083,612 0.03,613 0.018,614 0.038,615 -0.116,616 0.054,617 -0.096,618 -0.074,619 -0.046,620 -0.069,621 -0.067,622 -0.049,623 0.031,624 -0.063,625 0.042,626 -0.057,627 0.047,628 -0.018,629 -0.053,630 -0.14,631 -0.028,632 -0.133,633 -0.043,634 -0.089,635 0.002,636 -0.028,637 -0.158,638 -0.048,639 -0.137,640 -0.124,641 -0.023,642 -0.061,643 -0.103,644 -0.07,645 0.109,646 -0.1,647 0.074,648 0.076,649 0.12,650 0.082,651 0.045,652 0.106,653 -0.258,654 -0.017,655 -0.186,656 -0.019,657 -0.198,658 -0.064,659 1.937,660 5.395,661 0.857,662 14.018,663 1.023,664 1.094,665 1.798,666 3.232,667 0.73,668 3.219,669 3.584,670 3.951,671 4.277,672 4.477,673 4.635,674 4.787,675 4.92,676 4.963,677 4.927,678 4.684,679 0.726,680 278.27,681 3.219,682 4.779,683 5.673,684 6.583,685 7.495,686 8.412,687 9.33,688 10.252,689 11.173,690 12.096,708 4,709 9,712 2,714 3,716 20,721 1,734 1,738 31,739 21,740 2,741 24,743 34,744 17,745 16,746 5,747 5,748 1,752 4,753 7,768 17,772 1,778 1,782 1,785 1,786 1,788 2,789 10,790 4,791 1,792 4,803 0.5,804 4,822 2,823 2,826 1,827 1,855 2,862 21,868 1,886 12.9,888 1,889 1,891 2,893 10.167,894 5.7,895 4.528,896 1.779,898 3.971,899 1.547,900 1.031,901 2.623,902 11.229,903 3.584,904 4.297,905 5.044,906 5.749,907 6.304,908 6.815,909 7.328,910 7.823,911 8.195,912 8.478,913 1,914 35,915 7.76,917 3.489,918 7.944,919 14.416,921 12.179,924 2.444,925 51.333,929 105.94,930 116.136,933 86.843,936 116.136,937 192.783,941 89.813,942 72.962,943 29.919,944 33.827,945 82.398,947 105.94,948 116.136,949 86.843,952 105.94,953 86.843,957 116.136,960 105.94,961 86.843,962 116.136,965 105.94,966 26.323,967 89.813,969 86.843,970 105.94,971 86.843,972 116.136,973 0.589,974 0.368,975 0.211,976 0.106,977 20,978 8,979 0.059,980 2,981 2,982 1.222,983 3.311,984 176.738,985 0.222,986 18,987 92.239,993 12.239,994 4.5,995 1.782,996 2.619,997 86.843,998 15.012,1001 10.695,1003 0.736,1005 42.683,1006 308.919,1007 35,1013 12.395,1017 -0.27,1020 31.727,1021 33.914,1022 0.279,1023 0.629,1024 0.833,1025 0.961,1026 0.987,1027 1,1028 4.812,1029 1,1030 5.673,1031 3.008,1032 4.263,1033 4.984,1035 6.558,1036 4.263,1037 6.065,1038 0.93,1039 7.276,1040 2.526,1041 3.892,1042 4.902,1044 7.597,1045 3.892,1046 7.407,1047 0.618,1048 8.985,1049 2.299,1050 5.916,1051 7.366,1053 10.77,1054 5.92,1055 8.795,1056 0.493,1057 10.756,1058 1.372,1059 6.431,1060 8.202,1062 12.647,1063 6.44,1064 10.22,1065 -0.283,1066 12.567,1067 1.225,1068 7.898,1069 10.08,1071 15.335,1072 7.909,1073 11.671,1074 -0.513,1075 14.405,1076 -0.705,1077 8.792,1078 11.322,1080 17.537,1081 8.808,1082 13.142,1083 -0.885,1084 16.26,1085 -1.36,1086 10.063,1087 12.991,1089 20.068,1090 10.081,1091 3.316,1092 -1.13,1093 18.129,1094 -2.128,1095 11.118,1096 14.416,1098 22.407,1099 11.141,1100 2.933,1101 11.768,1102 20.007,1103 -2.769,1104 12.322,1105 16.011,1107 24.884,1108 12.346,1109 2.509,1110 10.042,1111 21.893,1112 4.853,1113 13.448,1114 17.517,1116 27.284,1117 13.474,1118 2.159,1119 8.154,1120 23.786,1121 4.012,1122 14.631,1123 19.09,1125 29.744,1126 14.659,1127 1.817,1128 6.732,1129 25.684,1130 3.59,1131 15.788,1132 20.632,1134 32.173,1135 15.817,1136 1.424,1137 5.074,1138 27.586,1139 3.076,1140 16.968,1141 22.201,1143 34.628,1144 16.998,1145 1.229,1146 3.207,1147 29.491,1148 2.604,1149 18.14,1150 23.76,1152 37.071,1153 18.17,1154 3974,1155 7041,1156 16.414,1157 22.625,1158 37.324,1159 38.08,1160 37.704,1161 36.926,1162 36.855,1163 53.107,1165 110.818,1166 36.835,1167 5.564,1168 5.626,1169 6.635,1170 5.316,1171 5.316,1172 7.853,1174 19.481,1175 5.318,1176 7.455,1177 1.555,1178 1.587,1179 1.571,1180 1.539,1181 1.536,1182 2.213,1184 4.617,1185 1.535,1186 4.197,1187 4.197,1188 4.175,1189 4.126,1190 7.428,1191 4.136,1192 3.9,1193 3.902,1194 3.857,1195 3.762,1196 6.47,1197 3.782,1198 3.688,1199 3.703,1200 3.63,1201 3.58,1202 5.128,1203 3.589,1204 3.292,1205 3.307,1206 3.218,1207 3.142,1208 5.038,1209 3.156,1210 3.067,1211 3.064,1212 3.028,1213 2.901,1214 4.643,1215 2.919,1216 2.794,1217 2.838,1218 2.671,1219 2.604,1220 3.995,1221 2.622,1222 2.651,1223 2.697,1224 2.542,1225 2.539,1226 3.657,1227 2.533,1228 2.46,1229 2.504,1230 2.284,1231 2.16,1232 3.621,1233 2.165,1234 0.199,1235 0.151,1236 0.29,1237 0.18,1238 0.138,1239 4.779,1240 0.202,1241 3.626,1243 6.956,1244 0.49,1245 4.316,1246 0.138,1247 3.316,1248 4.853,1250 11.768,1251 3.318,1252 2.079,1253 2.07,1254 2.137,1255 2.138,1256 1.31,1257 2.137,1258 1.672,1259 1.666,1260 1.753,1261 1.798,1262 0.864,1263 1.772,1264 1.468,1265 1.435,1266 1.635,1267 1.587,1268 0.692,1269 1.602,1270 1.359,1271 1.344,1272 1.49,1273 1.572,1274 0.473,1275 1.551,1276 1.173,1277 1.175,1278 1.306,1279 1.464,1280 0.316,1281 1.406,1282 1.049,1283 1.03,1284 1.218,1285 1.234,1286 0.233,1287 1.218,1288 0.63,1289 0.595,1290 0.874,1291 0.925,1293 0.919,1294 0.589,1295 0.539,1296 0.859,1297 0.777,1299 0.795,1300 3.892,1302 5.242,1303 3.045,1304 6.797,1305 5.283,1306 8.452,1307 7.31,1308 10.164,1314 10.148,1326 22.493,1327 42.874,1328 96.644,1329 127.929,1330 147.58,1331 151.58,1332 153.58,1333 33.265,1334 7.258,1335 63.58,1336 63.58,1337 22,1338 12.603,1339 4.459,1340 3.585,1341 27.881,1342 59,1343 52,1344 0.242,1345 133.905,1346 221.02,1347 318.488,1348 12539,1350 14.397,1351 0.686,1352 0.518,1353 14.397,1354 10.868,1355 10.254,1356 0.427,1357 0.269,1358 6.367,1359 9.869,1360 6.27,1361 5.153,1362 10.254,1363 6.456,1364 9.298,1365 0.266,1366 0.136,1367 9.298,1368 4.774,1369 8.552,1370 0.168,1371 0.07,1372 8.552,1373 3.548,1374 7.528,1375 0.106,1376 0.036,1377 7.528,1378 2.554,1379 5.705,1380 0.066,1381 0.019,1382 5.705,1383 1.629,1384 0.362,1385 64.495,1386 0.247,1387 20.248,1388 0.721,1389 118,1390 385.356,1391 129.293,1392 365.636,1393 502.99,1394 342,1395 145,1396 376.394,1397 157.403,1398 378.043,1399 560.89,1400 357,1401 4.184}
{0 CHEMBL1429230,1 1.861,2 14.645,3 6.175,4 38.133,5 115.993,6 9.794,7 0.647,8 3.989,9 4.072,10 3.777,11 3.57,12 5.229,13 3.581,14 4.474,15 4.585,16 4.169,17 3.923,18 5.759,19 3.928,20 4.688,21 4.835,22 4.2,23 3.956,24 6.003,25 3.932,26 4.65,27 4.824,28 4.152,29 3.862,30 5.957,31 3.83,32 4.539,33 4.723,34 3.959,35 3.767,36 5.821,37 3.75,38 4.498,39 4.664,40 3.981,41 3.762,42 5.802,43 3.751,44 4.437,45 4.606,46 3.82,47 3.732,48 5.632,49 3.675,50 4.316,51 4.492,52 3.757,53 3.568,54 5.565,55 3.534,56 0.189,57 0.707,58 4.816,59 3.868,60 11.079,61 3.928,62 0.428,63 1.105,64 10.468,65 6.45,66 20.962,67 6.453,68 0.949,69 1.286,70 22.466,71 8.577,72 64.777,73 8.402,74 0.863,75 1.298,76 26.247,77 8.6,78 72.913,79 8.602,80 0.757,81 1.135,82 22.424,83 7.487,84 61.467,85 8.179,86 0.749,87 1.085,88 16.801,89 6.944,90 60.898,91 7.189,92 0.609,93 0.98,94 18.792,95 6.965,96 51.462,97 7.268,98 0.536,99 0.861,100 15.705,101 6.116,102 38.534,103 6.592,104 17,105 47,106 0.312,107 0.635,108 0.786,109 0.911,110 0.919,111 0.919,112 3.471,113 0.881,114 -5.29,115 -5.18,116 -4.84,120 46.8,126 2,143 10,144 1,145 4,148 1,152 1,153 2,159 1,167 1,174 6,177 6,180 2,182 1,185 8,188 2,189 7,192 2,194 1,197 5,200 1,201 6,206 1,209 3,213 2,214 7,219 1,222 3,226 2,227 6,230 1,232 1,235 7,240 2,245 2,247 4,251 1,252 5,257 2,260 2,263 1,264 6,269 3,271 3,274 1767,275 20.825,276 20.825,277 20.825,278 20.825,279 20.825,280 17.913,281 25.689,282 12.273,283 21.371,284 16.782,285 16.782,286 16.782,287 16.782,288 16.782,289 12.451,290 35.969,291 5.882,292 17.799,293 3.694,294 1.772,295 0.877,296 0.128,297 0.085,298 0.085,299 4.164,303 2,307 1,308 983,309 3.391,312 192.747,313 236.578,320 2.495,321 40.849,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 68.667,333 454,334 4.287,335 3.579,336 6.115,337 3.919,338 2.935,339 3.897,340 1.151,341 8.979,342 2.903,343 4.232,344 3.309,345 6.066,346 3.823,347 2.866,348 3.87,349 1.058,350 8.777,351 2.751,352 4.204,353 3.217,354 6.056,355 3.755,356 2.832,357 3.822,358 0.522,359 8.698,360 2.541,361 4.029,362 2.866,363 5.605,364 3.578,365 2.622,366 3.65,368 7.697,369 2.493,370 3.61,371 2.769,372 5.258,373 3.261,374 2.283,375 2.891,377 6.622,378 2.23,379 3.452,380 2.699,381 4.957,382 2.969,383 2.102,384 2.762,386 5.808,387 1.773,388 3.173,389 2.212,390 4.872,391 2.812,392 1.869,393 2.365,395 5.531,396 1.717,397 2.874,398 2.157,399 4.182,400 2.406,401 1.488,402 2.038,404 3.794,405 1.394,406 2.855,407 1.758,408 4.13,409 2.376,410 1.414,411 1.984,413 3.659,414 1.333,415 2.8,416 1.73,417 3.926,418 2.351,419 1.396,420 1.918,422 3.075,423 1.244,424 2.633,425 1.469,426 3.597,427 2.171,428 1.172,429 1.613,431 2.946,432 1.157,433 2.215,434 1.112,435 3.298,436 1.73,437 0.759,438 1.084,440 1.812,441 0.733,442 2.166,443 0.811,444 3.267,445 1.656,446 0.677,447 0.981,449 1.653,450 0.655,451 1.908,452 0.73,453 3.193,454 1.545,455 0.635,456 0.799,458 1.526,459 0.559,460 1.414,461 0.521,462 2.866,463 1.094,464 0.143,465 0.175,467 0.341,468 0.133,469 14.914,470 0.481,471 0.784,472 0.025,473 42.75,474 1.379,475 22.5,476 0.726,477 20.25,478 0.653,479 23.043,480 0.743,481 32.486,482 0.691,483 32.678,484 1.054,485 8.858,486 0.286,487 6.116,488 0.197,489 0.137,491 0.329,494 1,496 0.68,497 1.026,498 0.51,499 0.877,500 0.564,501 0.794,502 0.876,503 1.123,504 0.651,505 0.961,506 0.631,507 0.914,508 1.094,509 1.049,510 1.056,511 1.028,512 1.01,513 1.059,514 1.253,515 1.13,516 0.933,517 1.001,518 1.319,519 1.04,520 0.927,521 0.869,522 0.861,523 0.908,524 0.988,525 0.888,526 0.948,527 0.955,528 0.669,529 0.821,530 1.037,531 0.868,532 1.061,533 0.862,534 1.095,535 0.998,536 1.021,537 1.082,538 0.923,539 0.958,540 0.829,541 1.009,542 0.949,543 1.014,544 7,545 0.169,546 3.333,547 1.979,548 1.651,549 0.702,550 0.564,551 0.381,552 0.315,553 0.209,554 15448,555 56021,556 2.084,557 34,559 14,560 1,562 1,567 1.73,568 1.958,569 3.795,570 -0.297,575 87.448,576 1.861,577 3.783,578 4.678,579 5.427,580 5.469,581 5.469,582 3.256,583 4.954,584 4.925,585 4.009,586 1864.22,587 8.565,588 28675.5,593 261.066,594 1.383,595 4.888,596 0.206,597 0.006,598 0.071,599 0.046,600 0.043,601 0.019,602 0.015,603 0.012,604 0.011,605 0.007,606 0.438,607 0.17,608 0.88,609 0.541,610 166.016,611 -0.034,612 -0.048,613 0.012,614 -0.045,615 -0.059,616 -0.005,617 -0.063,618 -0.155,619 0.004,620 -0.095,621 0.002,622 -0.079,623 -0.014,624 -0.063,625 -0.119,626 -0.08,627 -0.047,628 -0.139,629 -0.121,630 -0.04,631 0.019,632 -0.029,633 -0.107,634 -0.076,635 0.029,636 0.093,637 0.01,638 0.035,639 -0.002,640 0.093,641 0.043,642 0.023,643 0.066,644 0.094,645 -0.043,646 0.069,647 -0.155,648 0.031,649 -0.164,650 -0.037,651 -0.156,652 -0.102,653 -0.008,654 -0.048,655 0.03,656 -0.059,657 -0.022,658 -0.025,659 2.132,660 5.78,661 0.71,662 38.968,663 1.032,664 1.121,665 4.059,666 16.476,667 0.726,668 3.555,669 3.871,670 4.094,671 4.304,672 4.419,673 4.431,674 4.477,675 4.625,676 4.7,677 4.771,678 8.513,679 0.712,680 460.31,681 3.555,682 5.094,683 5.927,684 6.788,685 7.633,686 8.493,687 9.343,688 10.202,689 11.054,690 11.914,691 6.4,698 1,699 1,701 1,709 11,710 1,712 1,714 8,715 1,716 22,723 1,735 1,737 3,738 47,739 23,740 2,741 34,743 50,744 22,745 19,746 5,747 7,748 1,752 4,753 4,754 2,768 20,769 2,772 1,778 1,782 1,787 1,788 1,789 16,790 6,791 1,792 9,793 2,797 3,803 1,804 3,814 1,822 2,823 2,855 4,860 2,861 1,862 31,869 2,871 1,872 1,885 3,886 6.4,889 1,891 2,893 15.833,894 8.495,895 6.75,896 2.593,898 3.91,899 1.504,900 1,901 6.73,902 11.661,903 3.85,904 4.46,905 4.989,906 5.505,907 5.836,908 5.949,909 6.154,910 6.559,911 6.91,912 7.23,913 0.9,914 43,915 11.438,917 4.925,918 8.007,919 21.086,921 16.916,924 2.507,925 77.722,929 176.567,930 152.989,931 36.45,932 78.297,933 45.652,934 14.96,936 152.989,937 300.516,938 51.41,940 24.709,941 103.81,942 46.513,943 46.835,944 39.957,945 164.795,946 78.297,947 176.567,948 189.44,949 60.612,950 78.297,952 191.527,953 45.652,956 26.485,957 146.291,958 94.96,960 191.527,961 82.102,962 231.287,965 176.567,966 49.18,967 105.586,968 18.011,969 155.573,970 176.567,971 97.063,972 231.287,973 0.584,974 0.334,975 0.171,976 0.086,977 22,978 10,979 0.14,980 7,982 1,983 4.423,984 264.068,986 22,987 151.58,993 21.59,994 9.663,995 5.541,997 95.286,998 17.777,999 4.238,1001 5.531,1003 2.394,1004 1.533,1005 18.011,1006 504.916,1007 46,1013 12.424,1017 -0.466,1020 48.516,1021 52.672,1022 0.335,1023 0.681,1024 0.842,1025 0.977,1026 0.985,1027 0.985,1028 5.072,1029 1.488,1030 5.905,1031 5.531,1032 4.554,1033 5.147,1034 1.861,1035 6.666,1036 4.441,1037 6.283,1038 1.414,1039 7.437,1040 3.794,1041 4.111,1042 4.902,1044 7.424,1045 3.892,1046 7.581,1047 1.396,1048 9.059,1049 3.659,1050 6.111,1051 7.317,1052 1.969,1053 10.468,1054 5.912,1055 8.913,1056 1.172,1057 10.734,1058 3.075,1059 6.463,1060 7.872,1062 12.01,1063 6.177,1064 10.271,1065 0.759,1066 12.441,1067 2.946,1068 7.92,1069 9.73,1070 2.14,1071 14.539,1072 7.642,1073 11.647,1074 0.677,1075 14.169,1076 1.812,1077 8.633,1078 10.659,1080 16.412,1081 8.287,1082 13.038,1083 0.635,1084 15.913,1085 1.653,1086 9.866,1087 12.271,1088 2.333,1089 18.743,1090 9.515,1091 2.935,1092 0.143,1093 17.668,1094 1.526,1095 10.752,1096 13.391,1098 20.771,1099 10.349,1100 2.866,1101 8.979,1102 19.432,1103 0.341,1104 11.886,1105 14.881,1106 2.54,1107 23.016,1108 11.469,1109 2.832,1110 8.777,1111 21.202,1112 3.897,1113 12.856,1114 16.101,1116 25.117,1117 12.399,1118 2.622,1119 8.698,1120 22.978,1121 3.87,1122 13.945,1123 17.527,1124 2.756,1125 27.325,1126 13.471,1127 2.283,1128 7.697,1129 24.758,1130 3.822,1131 14.958,1132 18.802,1134 29.463,1135 14.451,1136 2.102,1137 6.622,1138 26.541,1139 3.65,1140 16.027,1141 20.193,1142 2.981,1143 31.654,1144 15.502,1145 1.869,1146 5.808,1147 28.327,1148 2.891,1149 17.061,1150 21.499,1152 33.811,1153 16.51,1154 14579,1155 27959,1156 22.77,1157 34.125,1158 51.113,1159 52.243,1160 51.832,1161 50.831,1162 50.387,1163 67.698,1164 5.461,1165 141.837,1166 47.233,1167 5.134,1168 5.579,1169 5.803,1170 4.989,1171 4.935,1172 6.897,1173 2.302,1174 15.34,1175 4.903,1176 15.215,1177 1.503,1178 1.537,1179 1.524,1180 1.495,1181 1.482,1182 1.991,1183 0.161,1184 4.172,1185 1.389,1186 4.024,1187 4.067,1188 4.093,1189 3.891,1190 8.201,1191 3.901,1192 3.94,1193 3.951,1194 3.968,1195 3.847,1196 7.43,1197 3.846,1198 3.873,1199 3.887,1200 3.878,1201 3.765,1202 5.082,1203 3.783,1204 3.803,1205 3.84,1206 3.758,1207 3.644,1208 4.993,1209 3.668,1210 3.327,1211 3.365,1212 3.59,1213 3.092,1214 4.938,1215 3.123,1216 3.124,1217 3.174,1218 3.273,1219 2.969,1220 4.651,1221 2.963,1222 3.013,1223 3.05,1224 3.117,1225 2.844,1226 4.628,1227 2.847,1228 2.897,1229 2.956,1230 2.94,1231 2.784,1232 4.401,1233 2.765,1234 0.126,1235 0.105,1236 0.18,1237 0.115,1238 0.086,1239 4.287,1240 0.115,1241 3.579,1242 0.034,1243 6.115,1244 0.264,1245 3.919,1246 0.085,1247 2.935,1248 3.897,1249 1.151,1250 8.979,1251 2.903,1252 1.907,1253 1.879,1254 2.017,1255 2.016,1256 1.156,1257 2.016,1258 1.861,1259 1.851,1260 1.915,1261 1.944,1262 1.042,1263 1.947,1264 1.595,1265 1.568,1266 1.719,1267 1.809,1268 0.866,1269 1.76,1270 1.519,1271 1.494,1272 1.674,1273 1.708,1274 0.772,1275 1.691,1276 1.462,1277 1.411,1278 1.604,1279 1.691,1280 0.669,1281 1.689,1282 1.309,1283 1.261,1284 1.464,1285 1.51,1286 0.557,1287 1.495,1288 0.942,1289 0.903,1290 1.184,1291 1.184,1292 0.197,1293 1.19,1294 0.871,1295 0.824,1296 1.117,1297 1.09,1298 0.171,1299 1.088,1300 4.234,1302 5.549,1303 3.045,1304 7.031,1305 5.283,1306 8.587,1307 7.261,1308 10.181,1311 11.931,1312 13.78,1315 0.337,1317 2.647,1318 5.596,1326 33.461,1327 87.448,1328 177.793,1329 219.846,1330 255.066,1331 257.066,1332 257.066,1333 62.206,1334 7.751,1335 69.29,1336 69.29,1337 22,1338 12.466,1339 4.585,1340 3.7,1341 49.843,1342 159,1343 148,1344 0.149,1345 210.263,1346 362.94,1347 504.801,1348 29707,1349 6.4,1350 21.794,1351 0.703,1352 0.565,1353 21.924,1354 17.53,1355 14.974,1356 0.44,1357 0.294,1358 9.128,1359 13.73,1360 8.922,1361 7.331,1362 15.141,1363 9.981,1364 13.688,1365 0.291,1366 0.158,1367 13.949,1368 7.417,1369 11.222,1370 0.19,1371 0.082,1372 11.303,1373 4.852,1374 8.996,1375 0.123,1376 0.045,1377 9.415,1378 3.277,1379 6.559,1380 0.08,1381 0.023,1382 6.668,1383 1.902,1384 0.244,1385 100.794,1386 0.21,1387 30.027,1388 0.381,1389 162,1390 611.348,1391 213.079,1392 615.572,1393 805.74,1394 572,1395 187,1396 540.49,1397 230.151,1398 553.303,1399 806.32,1400 520,1401 4.681}
{0 CHEMBL1429372,1 1.798,2 12,3 3.024,4 9.144,5 104.9,6 8.41,7 0.387,8 4.016,9 4.106,10 3.806,11 3.587,12 5.174,13 3.56,14 4.57,15 4.694,16 4.096,17 3.982,18 6.003,19 3.942,20 4.877,21 5.053,22 4.159,23 4.11,24 6.143,25 4.055,26 4.93,27 5.11,28 4.138,29 4.038,30 6.268,31 4.021,32 4.898,33 5.074,34 4.037,35 3.953,36 6.389,37 3.924,38 4.79,39 5.023,40 3.76,41 3.823,42 5.951,43 3.73,44 4.618,45 4.853,46 3.711,47 3.624,48 5.831,49 3.574,50 4.42,51 4.597,52 3.75,53 3.535,54 6.106,55 3.522,56 0.172,57 0.785,58 11.284,59 5.157,60 35.506,61 5.512,62 0.582,63 1.24,64 19.557,65 8.949,66 99.956,67 10.132,68 0.773,69 1.578,70 29.732,71 11.627,72 117.881,73 13.44,74 0.93,75 1.602,76 32.803,77 11.464,78 143.038,79 12.566,80 1.321,81 1.551,82 30.742,83 10.55,84 215.011,85 11.678,86 0.863,87 1.322,88 30.696,89 10.336,90 127.573,91 12.711,92 0.754,93 1.083,94 26.696,95 7.831,96 118.645,97 9.52,98 0.87,99 0.921,100 21.534,101 6.45,102 165.796,103 7.485,104 38,105 45,106 0.302,107 0.619,108 0.733,109 0.827,110 0.834,111 0.834,112 3.408,113 1.028,114 -3.47,115 -3.45,116 -3.3,120 40,122 4,124 1,126 1,143 8,144 1,145 3,159 2,164 1,165 1,166 1,174 12,176 2,177 2,179 2,180 3,182 2,185 14,188 1,189 10,192 1,194 4,197 10,199 2,201 12,206 2,209 7,211 2,213 1,214 9,217 1,219 1,222 6,227 7,230 2,231 1,232 3,234 1,235 2,240 5,245 3,247 2,251 2,252 4,254 1,255 1,257 2,260 8,263 2,264 1,266 1,267 1,269 1,271 12,274 1326,275 18.832,276 18.832,277 18.832,278 18.832,279 18.832,280 16.771,281 17.925,282 10.868,283 19.165,284 15.229,285 15.229,286 15.229,287 15.229,288 15.229,289 12.043,290 20.845,291 5.044,292 15.758,293 3.846,294 1.959,295 1.28,296 0.72,297 0.68,298 0.68,299 4.08,306 1,307 1,308 733,309 4.472,312 93.714,313 228.204,320 1.724,321 56.891,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 65.5,333 348,334 4.801,335 4.661,336 7.983,337 4.626,338 3.63,339 4.66,340 2.511,341 15.183,342 3.614,343 4.751,344 4.22,345 7.111,346 4.229,347 3.313,348 4.102,349 1.992,350 11.657,351 3.001,352 3.955,353 3.612,354 5.938,355 3.587,356 2.613,357 3.46,358 0.563,359 7.752,360 2.535,361 3.869,362 3.196,363 5.491,364 3.462,365 2.5,366 3.266,367 0.189,368 7.408,369 2.392,370 3.543,371 2.663,372 4.952,373 3.15,374 2.154,375 2.773,377 5.691,378 2.138,379 3.099,380 2.524,381 4.777,382 2.758,383 1.772,384 2.249,386 4.743,387 1.725,388 3.022,389 1.721,390 4.527,391 2.543,392 1.549,393 2.122,395 4.408,396 1.534,397 2.863,398 1.684,399 4.241,400 2.407,401 1.414,402 2.012,404 3.458,405 1.403,406 2.701,407 1.675,408 3.618,409 2.372,410 1.408,411 1.753,413 2.967,414 1.339,415 2.5,416 1.48,417 3.618,418 2,419 1,420 1.5,422 2.275,423 1,424 2.137,425 1.06,426 3.434,427 1.929,428 0.95,429 1.089,431 2.257,432 0.923,433 1.703,434 1,435 3.414,436 1.618,437 0.618,438 0.618,440 1.464,441 0.618,442 1.618,443 0.689,444 3.125,445 1.348,446 0.39,447 0.46,449 0.908,450 0.365,451 1.296,452 0.618,453 2.84,454 0.881,455 -0.104,456 -0.134,458 -0.249,459 -0.1,460 1.047,461 0.396,462 2.772,463 0.682,464 -0.228,465 -0.273,467 -0.51,468 -0.2,469 13.586,470 0.468,471 0.951,472 0.033,473 36.25,474 1.25,475 18.5,476 0.638,477 17.75,478 0.612,479 24.833,480 0.856,481 32.614,482 0.652,483 30.356,484 1.047,485 6.896,486 0.238,487 6.825,488 0.235,489 0.149,490 0.098,491 0.221,494 1,496 0.578,497 1.078,498 0.785,499 1.196,500 0.626,501 0.934,502 0.549,503 1.037,504 0.859,505 1.089,506 0.478,507 1.032,508 0.874,509 1.065,510 0.925,511 1.056,512 0.863,513 1.058,514 1.331,515 1.111,516 0.974,517 0.982,518 1.192,519 0.976,520 1.346,521 1.125,522 0.992,523 0.934,524 1.26,525 1.094,526 0.975,527 0.952,528 0.898,529 0.924,530 0.879,531 1.026,532 1.155,533 0.84,534 0.824,535 0.747,536 1.096,537 0.796,538 0.881,539 0.76,540 0.935,541 0.897,542 0.944,543 0.848,544 8,545 0.147,546 4.667,547 2.431,548 1.632,549 0.98,550 0.537,551 0.543,552 0.24,553 0.181,554 10826,555 38228,556 1.977,557 42,558 8,559 10,562 3,567 1.716,568 1.813,569 3.481,570 0.96,571 1,572 1,575 89.906,576 1.798,577 3.684,578 4.364,579 4.924,580 4.964,581 4.964,582 2.928,583 4.28,584 4.832,585 3.737,586 1517.22,587 8.394,588 21145.7,590 1,592 1,593 282.193,594 1.699,595 4.752,596 0.258,597 0.006,598 0.104,599 0.053,600 0.036,601 0.026,602 0.019,603 0.02,604 0.008,605 0.007,606 0.537,607 0.33,608 1,609 0.805,610 149.051,611 0.006,612 0.014,613 0.166,614 -0.013,615 -0.093,616 0.063,617 0.194,618 -0.045,619 -0.005,620 -0.051,621 0.204,622 -0.051,623 -0.019,624 -0.104,625 -0.04,626 -0.09,627 -0.032,628 -0.073,629 -0.21,630 -0.125,631 -0.077,632 -0.071,633 -0.146,634 -0.03,635 -0.055,636 -0.02,637 -0.154,638 -0.076,639 -0.05,640 -0.176,641 -0.035,642 -0.024,643 0.007,644 -0.035,645 -0.047,646 -0.025,647 -0.153,648 0.041,649 0.119,650 0.116,651 -0.131,652 0.17,653 0.216,654 0.161,655 0.052,656 0.041,657 0.274,658 0.082,659 4.745,660 6.311,661 0.586,662 27.075,663 1.025,664 1.129,665 2.245,666 5.038,667 0.67,668 3.466,669 3.829,670 4.06,671 4.263,672 4.369,673 4.357,674 4.331,675 4.277,676 4.094,677 4.06,678 7.246,679 0.649,680 420.5,681 3.466,682 5.03,683 5.878,684 6.774,685 7.644,686 8.543,687 9.423,688 10.323,689 11.208,690 12.11,691 4,695 1,698 1,709 8,714 4,716 12,737 1,738 50,739 16,740 2,741 31,743 52,744 20,745 12,746 4,747 8,752 3,753 3,760 1,762 1,763 4,766 4,768 14,769 6,772 4,776 1,778 4,782 2,786 1,787 1,789 21,790 8,791 3,792 9,793 1,797 2,803 1,804 5,822 1,823 2,838 1,841 1,855 3,857 1,861 1,862 29,863 1,866 1,869 5,871 1,872 1,876 1,885 1,886 10,889 4,891 1,893 16,894 8.643,895 6.278,896 2.89,898 1.943,899 1.281,900 0.961,901 6.252,902 8.865,903 3.738,904 4.331,905 4.754,906 5.208,907 5.637,908 5.717,909 5.888,910 5.925,911 5.575,912 5.616,913 0.875,914 46,915 11.12,917 5.214,918 8.316,919 19.858,921 16.676,924 2.816,925 81.667,928 1,929 211.88,930 124.858,931 49.302,933 105.603,934 14.96,935 5.807,936 119.051,937 317.483,938 64.262,940 32.741,941 112.909,942 106.499,943 27.614,944 14.96,945 211.88,947 211.88,948 168.353,949 120.563,950 5.807,952 226.84,953 105.603,956 32.741,957 135.611,958 5.807,960 226.84,961 154.905,962 124.858,964 5.807,965 211.88,966 43.241,967 75.81,968 18.011,969 151.854,970 211.88,971 169.865,972 124.858,973 0.595,974 0.343,975 0.175,976 0.087,977 21,978 10,979 0.135,980 7,982 1,983 3.944,984 246.693,986 17,987 130.881,992 1,993 21.284,994 8.519,995 4.771,997 169.865,998 11.362,1003 0.061,1005 49.302,1006 506.603,1007 41,1011 -3.828,1013 47.392,1017 -1.219,1020 51.265,1021 56.455,1022 0.319,1023 0.653,1024 0.773,1025 0.872,1026 0.88,1027 0.88,1028 5.004,1029 1.414,1030 5.938,1031 4.408,1032 4.511,1033 5.017,1034 2.954,1035 6.853,1036 4.445,1037 6.255,1038 1.408,1039 7.582,1040 3.458,1041 4.443,1042 5.165,1043 2.591,1044 8.38,1045 4.326,1046 7.624,1047 1,1048 9.36,1049 2.967,1050 6.282,1051 7.291,1052 4.32,1053 11.446,1054 6.144,1055 9.037,1056 0.95,1057 11.223,1058 2.275,1059 7.04,1060 8.232,1061 4.62,1062 13.811,1063 6.861,1064 10.488,1065 0.618,1066 13.143,1067 2.257,1068 8.455,1069 9.943,1070 5.904,1071 16.576,1072 8.261,1073 11.965,1074 0.39,1075 15.103,1076 1.464,1077 9.53,1078 11.205,1079 6.501,1080 19.181,1081 9.312,1082 13.461,1083 -0.104,1084 17.09,1085 0.908,1086 10.826,1087 12.786,1088 7.594,1089 21.893,1090 10.598,1091 3.63,1092 -0.228,1093 19.096,1094 -0.249,1095 12.018,1096 14.185,1097 8.341,1098 24.569,1099 11.781,1100 3.313,1101 15.183,1102 21.117,1103 -0.51,1104 13.285,1105 15.722,1106 9.345,1107 27.275,1108 13.044,1109 2.613,1110 11.657,1111 23.148,1112 4.66,1113 14.523,1114 17.185,1115 10.171,1116 29.974,1117 14.279,1118 2.5,1119 7.752,1120 25.187,1121 4.102,1122 15.786,1123 18.709,1124 11.132,1125 32.684,1126 15.542,1127 2.154,1128 7.408,1129 27.232,1130 3.46,1131 17.042,1132 20.204,1133 12.001,1134 35.393,1135 16.799,1136 1.772,1137 5.691,1138 29.282,1139 3.266,1140 18.308,1141 21.726,1142 12.941,1143 38.107,1144 18.068,1145 1.549,1146 4.743,1147 31.336,1148 2.773,1149 19.573,1150 23.236,1151 13.833,1152 40.821,1153 19.337,1154 10636,1155 20163,1156 19.761,1157 33.483,1158 46.736,1159 49.124,1160 48.974,1161 46.731,1162 46.626,1163 60.13,1164 10.511,1165 140.34,1166 45.172,1167 5.777,1168 6.661,1169 7.666,1170 5.707,1171 5.63,1172 7.66,1173 4.342,1174 23.337,1175 5.614,1176 17.365,1177 1.508,1178 1.585,1179 1.58,1180 1.507,1181 1.504,1182 1.94,1183 0.339,1184 4.527,1185 1.457,1186 4.071,1187 4.069,1188 4.728,1189 4.052,1190 8.201,1191 3.974,1192 4.012,1193 4.022,1194 3.964,1195 3.942,1196 7.726,1197 3.932,1198 3.741,1199 3.78,1200 3.758,1201 3.638,1202 7.436,1203 3.629,1204 3.695,1205 3.699,1206 3.636,1207 3.572,1208 7.424,1209 3.514,1210 3.498,1211 3.507,1212 3.441,1213 3.273,1214 6.999,1215 3.295,1216 3.194,1217 3.206,1218 3.13,1219 2.973,1220 4.834,1221 2.994,1222 2.903,1223 2.979,1224 2.834,1225 2.735,1226 4.691,1227 2.735,1228 2.869,1229 2.959,1230 2.709,1231 2.733,1232 4.65,1233 2.715,1234 0.155,1235 0.15,1236 0.258,1237 0.149,1238 0.117,1239 4.801,1240 0.15,1241 4.661,1242 0.081,1243 7.983,1244 0.49,1245 4.626,1246 0.117,1247 3.63,1248 4.66,1249 2.511,1250 15.183,1251 3.614,1252 1.956,1253 1.961,1254 2.029,1255 2.037,1256 1.302,1257 2.065,1258 1.93,1259 1.911,1260 1.985,1261 2.017,1262 1.211,1263 2.021,1264 1.577,1265 1.556,1266 1.86,1267 1.786,1268 1.151,1269 1.793,1270 1.57,1271 1.507,1272 1.739,1273 1.751,1274 0.926,1275 1.774,1276 1.498,1277 1.498,1278 1.598,1279 1.678,1280 0.753,1281 1.697,1282 1.335,1283 1.317,1284 1.268,1285 1.561,1286 0.505,1287 1.574,1288 0.886,1289 0.821,1290 1.181,1291 1.195,1292 0.218,1293 1.145,1294 0.862,1295 0.805,1296 1.132,1297 1.068,1298 0.202,1299 1.107,1300 4.143,1302 5.493,1303 2.398,1304 7.036,1305 4.595,1306 8.669,1307 6.629,1308 10.351,1312 14.311,1313 5.021,1315 1.927,1317 2.504,1318 5.217,1322 -1.081,1326 32.455,1327 89.906,1328 184.219,1329 218.193,1330 246.193,1331 248.193,1332 248.193,1333 96.697,1334 6.922,1335 115.56,1336 123.94,1337 17,1338 12.634,1339 4.087,1340 3.459,1341 52.767,1342 128,1343 113,1344 0.201,1345 202.917,1346 365.09,1347 486.877,1348 8514,1349 2,1350 21.071,1351 0.727,1352 0.565,1353 20.45,1354 16.376,1355 13.721,1356 0.443,1357 0.343,1358 9.069,1359 12.382,1360 8.786,1361 7.238,1362 14.205,1363 10.619,1364 13.211,1365 0.294,1366 0.189,1367 14.065,1368 8.524,1369 10.266,1370 0.18,1371 0.105,1372 10.591,1373 5.967,1374 8.206,1375 0.117,1376 0.059,1377 8.304,1378 4.121,1379 6.033,1380 0.077,1381 0.031,1382 6.061,1383 2.453,1384 0.322,1385 95.857,1386 0.225,1387 27.794,1388 0.534,1389 152,1390 577.294,1391 204.507,1392 542.448,1393 700.52,1394 494,1395 178,1396 460.642,1397 235.406,1398 493.006,1399 713.97,1400 459,1401 4.585}
{0 CHEMBL1429606,1 1.453,2 8.75,3 1.727,4 2.984,5 78.774,6 7.009,7 0.286,8 3.73,9 3.844,10 3.23,11 3.264,12 4.843,13 3.231,14 4.271,15 4.446,16 3.586,17 3.65,18 5.306,19 3.602,20 4.539,21 4.707,22 3.651,23 3.818,24 5.665,25 3.736,26 4.726,27 5,28 3.57,29 3.712,30 5.898,31 3.588,32 4.418,33 4.637,34 3.178,35 3.423,36 5.626,37 3.339,38 4.043,39 4.25,40 3.16,41 3.304,42 5.152,43 3.222,44 4.14,45 4.367,46 3.131,47 3.286,48 5.256,49 3.206,50 4.079,51 4.307,52 3.098,53 3.211,54 5.254,55 3.113,56 0.012,57 0.517,58 8.368,59 3.857,60 6.281,61 5.002,62 0.109,63 0.821,64 15.597,65 6.339,66 20.713,67 8.434,68 0.151,69 1.049,70 20.594,71 8.019,72 38.635,73 10.667,74 0.481,75 1.114,76 27.315,77 8.999,78 83.898,79 13.119,80 0.484,81 0.793,82 20.504,83 5.827,84 87.209,85 7.68,86 0.082,87 0.634,88 12.644,89 4.783,90 18.111,91 6.627,92 0.182,93 0.652,94 14.632,95 4.913,96 33.613,97 6.76,98 0.314,99 0.581,100 13.875,101 5.06,102 42.27,103 6.937,104 27,105 30,106 0.263,107 0.605,108 0.751,109 0.789,110 0.789,111 0.789,112 3.057,113 0.941,114 -2.75,115 -2.76,116 -2.68,120 41,121 2,122 2,124 1,125 1,137 1,138 1,143 4,145 2,157 2,174 6,177 6,182 3,185 11,189 3,194 1,197 2,200 1,201 7,204 3,206 3,209 4,219 1,222 1,227 5,232 2,235 5,240 2,247 4,251 2,252 4,260 7,264 1,271 3,274 460,275 12.886,276 12.886,277 12.886,278 12.886,279 12.886,280 11.695,281 19.5,282 7.425,283 13.062,284 10.287,285 10.287,286 10.287,287 10.287,288 10.287,289 8.352,290 27.702,291 3.441,292 10.449,293 3.832,294 1.941,295 1.135,296 0.93,297 0.93,298 0.93,299 3.708,305 1,306 1,307 1,308 358,309 2.915,313 138.18,320 1.2,321 24.274,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 43.5,333 175,334 4.449,335 3.851,336 6.843,337 4.319,338 3.309,339 3.771,340 1.277,341 11.394,342 3.34,343 4.075,344 3.326,345 6.231,346 3.752,347 2.751,348 3.651,349 1.277,350 9.125,351 2.765,352 3.943,353 3.027,354 5.584,355 3.625,356 2.647,357 3.049,358 0.86,359 7.677,360 2.569,361 3.362,362 2.918,363 4.959,364 3.004,365 2.07,366 2.607,367 0.4,368 5.829,369 2,370 3.303,371 2.435,372 4.956,373 2.949,374 1.879,375 2.414,377 5.321,378 1.925,379 2.719,380 1.705,381 3.702,382 2.248,383 1.268,384 1.789,386 2.79,387 1.238,388 2.576,389 1.314,390 3.488,391 2.004,392 1,393 1.413,395 2.445,396 0.997,397 1.584,398 0.937,399 3.209,400 1.295,401 0.43,402 0.482,404 0.63,405 0.369,406 1.419,407 0.729,408 3,409 1.121,410 0.136,411 0.16,413 0.357,414 0.133,415 1,416 0.693,417 2.686,418 0.721,419 -0.347,420 -0.414,422 -0.981,423 -0.368,424 0.764,425 0.261,426 2.442,427 0.498,428 -0.545,429 -0.661,431 -1.373,432 -0.549,433 0.669,434 -0.372,435 2,436 0.304,437 -0.694,438 -0.913,440 -1.553,441 -0.686,442 0.577,443 -0.553,444 2,445 0.139,446 -0.826,447 -1,449 -2.119,450 -0.799,451 0.118,452 -1,453 1.662,455 -1,456 -1.072,458 -3,459 -1,461 -1.155,462 1.656,463 -0.32,464 -1.321,465 -1.795,467 -3.785,468 -1.298,469 9.4,470 0.47,471 0.676,472 0.034,473 23.5,474 1.175,475 11.5,476 0.575,477 12,478 0.6,479 16.396,480 0.82,481 22.4,482 0.574,483 16.471,484 0.824,485 4.586,486 0.229,487 4.824,488 0.241,489 0.23,490 0.053,491 0.266,496 0.679,497 1.25,498 0.835,499 1.16,500 0.558,501 1.041,502 0.856,503 1.014,504 0.785,505 0.933,506 0.603,507 0.858,508 1.076,509 1.414,510 1.214,511 1.37,512 1.114,513 1.325,514 0.632,515 0.941,516 0.741,517 0.914,518 0.758,519 0.86,520 2.166,521 0.73,522 1.427,523 0.707,524 2.584,525 0.898,526 0.794,527 1.177,528 0.948,529 1.134,530 0.663,531 1.069,532 1.207,533 0.879,534 1.03,535 0.922,536 1.283,537 0.925,538 0.64,539 0.892,540 0.785,541 0.951,542 0.779,543 0.907,544 6,545 0.07,546 2.444,547 1.938,548 1.138,549 0.576,550 0.245,551 0.344,552 0.234,553 0.126,554 3521,555 9427,556 1.927,557 48.7,558 6,559 7,560 1,562 1,563 4,567 1.616,568 1.752,569 3.092,570 -0.32,572 1,574 1,575 56.665,576 1.453,577 3.344,578 4.15,579 4.356,580 4.356,581 4.356,582 2.471,583 3.522,584 4.297,585 3.247,586 616.988,587 7.328,588 6375.43,589 1,590 1,592 1,593 206.131,594 1.734,595 4.207,596 0.286,597 0.014,598 0.081,599 0.067,600 0.046,601 0.034,602 0.014,603 0.02,604 0.015,605 0.013,606 0.588,607 0.83,608 1,609 0.932,610 88.97,611 -0.023,612 -0.052,613 0.03,614 -0.028,615 -0.038,616 0.006,617 -0.04,618 0.069,619 0.139,620 0.126,621 0.022,622 0.158,623 -0.13,624 -0.34,625 -0.282,626 -0.337,627 -0.127,628 -0.338,629 0.287,630 -0.021,631 0.254,632 0.011,633 0.251,634 0.104,635 -0.467,636 0.224,637 -0.342,638 0.181,639 -0.481,640 -0.021,641 -0.028,642 -0.116,643 -0.018,644 -0.126,645 0.054,646 -0.075,647 -0.138,648 0.135,649 -0.04,650 0.028,651 -0.112,652 0.025,653 0.382,654 0.033,655 0.198,656 0.038,657 0.22,658 0.08,659 1.762,660 5.011,661 0.6,662 13.4,663 1.001,664 1.125,665 1.519,666 2.309,667 0.647,668 3.091,669 3.434,670 3.584,671 3.807,672 3.892,673 3.892,674 3.638,675 3.761,676 3.784,677 3.85,678 5.274,679 0.613,680 273.36,681 3.091,682 4.635,683 5.451,684 6.337,685 7.166,686 8.055,687 8.889,688 9.779,689 10.616,690 11.508,691 2.6,696 1,709 4,714 2,716 6,729 1,735 1,738 39,739 9,740 1,741 21,743 40,744 16,745 6,746 2,747 4,748 4,752 2,753 2,759 2,760 1,762 1,763 2,766 2,768 10,769 6,772 3,778 2,780 1,782 3,785 1,786 1,789 19,790 4,791 1,792 4,797 1,803 1,804 3,823 2,836 2,846 1,855 2,859 3,862 20,869 2,871 1,872 1,876 1,886 7.7,889 2,891 1,893 11.417,894 7.917,895 4.389,896 2.201,898 1.794,899 1.287,900 0.914,901 4.17,902 8.034,903 3.332,904 3.861,905 4.28,906 4.72,907 5.023,908 5.164,909 5.259,910 5.599,911 5.86,912 6.139,913 0.833,914 29,915 7.428,917 3.122,918 7.929,919 13.98,921 11.244,924 2.429,925 48.583,926 0.001,929 211.88,930 102.008,931 18.011,933 61.29,936 102.008,937 273.17,938 18.011,939 28.533,940 14.116,941 37.905,942 78.568,943 22.186,944 11.771,945 200.109,947 211.88,948 120.018,949 61.29,952 211.88,953 61.29,956 22.719,957 79.288,958 18.011,960 211.88,961 79.3,962 102.008,965 211.88,966 26.522,967 75.486,968 18.011,969 61.29,970 211.88,971 79.3,972 102.008,973 0.589,974 0.328,975 0.171,976 0.083,977 14,978 7,979 0.075,980 3,982 1,983 3.141,984 141.955,986 12,987 78.439,993 14.639,994 5.697,995 3.635,997 79.3,998 7.325,1003 1.498,1005 18.011,1006 393.188,1007 27,1013 24.022,1015 1.509,1017 0.065,1020 39.036,1021 43.863,1022 0.275,1023 0.633,1024 0.785,1025 0.824,1026 0.824,1027 0.824,1028 4.59,1029 0.43,1030 5.501,1031 2.445,1032 4.111,1033 4.543,1034 2.233,1035 6.34,1036 4.096,1037 5.818,1038 0.136,1039 7.091,1040 0.63,1041 4.007,1042 4.477,1044 7.554,1045 4.018,1046 7.146,1047 -0.347,1048 8.787,1049 0.357,1050 5.808,1051 6.635,1052 2.549,1053 10.493,1054 5.795,1055 8.501,1056 -0.545,1057 10.544,1058 -0.981,1059 6.431,1060 7.248,1062 12.439,1063 6.446,1064 9.881,1065 -0.694,1066 12.338,1067 -1.373,1068 7.808,1069 8.974,1070 2.955,1071 15.006,1072 7.812,1073 11.278,1074 -0.826,1075 14.157,1076 -1.553,1077 8.74,1078 9.896,1080 17.232,1081 8.768,1082 12.687,1083 -1,1084 15.994,1085 -2.119,1086 9.973,1087 11.438,1088 3.4,1089 19.694,1090 10.001,1091 3.309,1092 -1.321,1093 17.845,1094 -3,1095 11.04,1096 12.522,1098 22.032,1099 11.089,1100 2.751,1101 11.394,1102 19.706,1103 -3.785,1104 12.228,1105 13.971,1106 3.866,1107 24.465,1108 12.284,1109 2.647,1110 9.125,1111 21.576,1112 3.771,1113 13.356,1114 15.146,1116 26.852,1117 13.429,1118 2.07,1119 7.677,1120 23.454,1121 3.651,1122 14.534,1123 16.543,1124 4.343,1125 29.278,1126 14.617,1127 1.879,1128 5.829,1129 25.337,1130 3.049,1131 15.692,1132 17.77,1134 31.687,1135 15.79,1136 1.268,1137 5.321,1138 27.225,1139 2.607,1140 16.87,1141 19.137,1142 4.825,1143 34.113,1144 16.979,1145 1,1146 2.79,1147 29.117,1148 2.414,1149 18.043,1150 20.397,1152 36.533,1153 18.166,1154 3624,1155 6014,1156 13.118,1157 25.222,1158 31.718,1159 33.601,1160 32.516,1161 30.806,1162 30.983,1163 38.672,1164 7.63,1165 91.135,1166 30.674,1167 5.449,1168 5.851,1169 6.439,1170 5.32,1171 5.309,1172 6.771,1173 2.555,1174 18.702,1175 5.34,1176 12.06,1177 1.51,1178 1.6,1179 1.548,1180 1.467,1181 1.475,1182 1.842,1183 0.363,1184 4.34,1185 1.461,1186 3.977,1187 4.005,1188 3.916,1189 3.874,1190 7.442,1191 3.879,1192 3.872,1193 3.899,1194 3.805,1195 3.785,1196 7.411,1197 3.785,1198 3.482,1199 3.532,1200 3.365,1201 3.346,1202 4.883,1203 3.344,1204 3.254,1205 3.317,1206 3.087,1207 2.976,1208 4.466,1209 2.99,1210 3.166,1211 3.187,1212 3.084,1213 2.933,1214 4.287,1215 2.958,1216 3.045,1217 3.125,1218 2.893,1219 2.83,1220 4.152,1221 2.833,1222 2.874,1223 3.009,1224 2.574,1225 2.628,1226 3.627,1227 2.603,1228 2.772,1229 2.849,1230 2.499,1231 2.618,1232 3.471,1233 2.57,1234 0.212,1235 0.183,1236 0.326,1237 0.206,1238 0.158,1239 4.449,1240 0.18,1241 3.851,1242 0.061,1243 6.843,1244 0.543,1245 4.319,1246 0.159,1247 3.309,1248 3.771,1249 1.277,1250 11.394,1251 3.34,1252 1.923,1253 1.896,1254 2.067,1255 2.051,1256 1.365,1257 2.054,1258 1.86,1259 1.834,1260 1.985,1261 1.973,1262 1.066,1263 1.979,1264 1.461,1265 1.416,1266 1.652,1267 1.644,1268 0.732,1269 1.65,1270 1.197,1271 1.126,1272 1.568,1273 1.507,1274 0.574,1275 1.527,1276 1.081,1277 1.045,1278 1.417,1279 1.342,1280 0.564,1281 1.335,1282 1.007,1283 0.931,1284 1.352,1285 1.28,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.317,1291 1.239,1292 0.415,1293 1.295,1294 0.803,1295 0.73,1296 1.103,1297 0.992,1298 0.178,1299 1.035,1300 3.761,1302 5.094,1304 6.613,1306 8.222,1308 9.877,1310 5.47,1315 0.814,1317 2.994,1318 5.122,1322 -0.235,1326 23.907,1327 56.665,1328 130.415,1329 161.866,1330 169.866,1331 169.866,1332 169.866,1333 48.325,1334 6.24,1335 55.4,1336 55.4,1337 12,1338 12.047,1339 3.322,1340 2.807,1341 36.536,1342 64,1343 60,1344 0.289,1345 150.68,1346 271.27,1347 359.419,1348 3510,1350 14.751,1351 0.738,1352 0.601,1353 14.751,1354 12.026,1355 9.41,1356 0.448,1357 0.314,1358 6.496,1359 9.049,1360 6.181,1361 5.22,1362 9.41,1363 6.584,1364 9.075,1365 0.303,1366 0.193,1367 9.075,1368 5.798,1369 6.588,1370 0.188,1371 0.095,1372 6.588,1373 3.332,1374 5.723,1375 0.13,1376 0.052,1377 5.723,1378 2.307,1379 3.667,1380 0.076,1381 0.029,1382 3.667,1383 1.413,1384 0.449,1385 59.183,1386 0.276,1387 19.928,1388 0.797,1389 102,1390 313.539,1391 110.807,1392 298.062,1393 390.93,1394 276,1395 116,1396 269.79,1397 124.476,1398 277.233,1399 395.44,1400 256,1401 5.092}
{0 CHEMBL1431075,1 2.131,2 12.103,3 3.629,4 13.17,5 109.424,6 10.363,7 0.548,8 3.914,9 3.994,10 3.905,11 3.557,12 5.148,13 3.509,14 4.426,15 4.545,16 4.281,17 3.899,18 5.864,19 3.861,20 4.65,21 4.799,22 4.325,23 3.98,24 6.132,25 3.911,26 4.643,27 4.816,28 4.269,29 3.918,30 6.065,31 3.847,32 4.512,33 4.65,34 4.242,35 3.777,36 5.998,37 3.756,38 4.428,39 4.555,40 4.309,41 3.714,42 6.156,43 3.714,44 4.366,45 4.506,46 4.122,47 3.698,48 6.003,49 3.659,50 4.283,51 4.416,52 4.041,53 3.628,54 5.818,55 3.589,56 0.206,57 0.777,58 5.54,59 4.379,60 30.724,61 3.828,62 0.518,63 1.22,64 15.156,65 7.095,66 78.445,67 7.06,68 0.897,69 1.376,70 21.291,71 9.312,72 114.664,73 8.642,74 0.834,75 1.329,76 33.192,77 10.489,78 99.582,79 8.906,80 0.765,81 1.1,82 22.626,83 7.567,84 112.715,85 6.024,86 0.964,87 1.061,88 20.591,89 6.577,90 153.687,91 4.674,92 0.82,93 0.995,94 20.551,95 6.735,96 132.268,97 5.621,98 0.624,99 0.945,100 12.335,101 5.905,102 82.709,103 5.325,104 51,105 45,106 0.365,107 0.716,108 0.804,109 0.819,110 0.819,111 0.819,112 3.408,113 1.079,114 -4.09,115 -4.04,116 -3.82,120 38.6,121 2,123 1,126 1,143 4,144 1,145 2,146 1,147 1,151 1,159 1,162 1,163 1,167 1,174 6,176 2,177 3,180 2,182 1,185 6,188 5,189 7,192 2,197 4,200 1,201 10,206 2,213 3,214 9,217 1,219 2,226 3,227 8,230 2,235 1,239 1,240 6,245 1,247 1,251 3,252 6,257 2,260 3,263 2,264 4,269 2,271 5,274 1410,275 18.626,276 18.626,277 18.626,278 18.626,279 18.626,280 16.15,281 21.702,282 10.657,283 19.473,284 15.251,285 15.251,286 15.251,287 15.251,288 15.251,289 11.407,290 22.924,291 5.058,292 16.798,293 3.329,294 1.276,295 0.762,296 0.671,297 0.671,298 0.671,299 4.079,303 1,306 1,307 1,308 736,309 4.183,312 90.067,313 215.44,320 1.976,321 53.959,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 65.333,333 351,334 4.865,335 5.263,336 7.314,337 4.26,338 3.406,339 4.718,340 3.272,341 12.542,342 2.909,343 4.316,344 3.625,345 6.399,346 3.898,347 2.962,348 3.908,349 1.058,350 9.711,351 2.748,352 4.159,353 3.075,354 5.998,355 3.719,356 2.816,357 3.759,359 8.554,360 2.541,361 3.981,362 3.029,363 5.442,364 3.532,365 2.562,366 3.588,368 7.127,369 2.467,370 3.534,371 2.903,372 5.29,373 3.177,374 2.267,375 2.778,377 6.596,378 2.026,379 3.383,380 2.8,381 4.964,382 2.985,383 2.045,384 2.663,386 5.737,387 1.899,388 3.248,389 2.34,390 4.775,391 2.79,392 1.852,393 2.448,395 5.031,396 1.691,397 3.044,398 2.175,399 4.647,400 2.435,401 1.558,402 2.229,404 4.615,405 1.316,406 2.565,407 1.434,408 3.858,409 2.11,410 1.179,411 1.553,413 2.939,414 1.087,415 2.5,416 1.21,417 3.592,418 2,419 1,420 1.5,422 2.364,423 1,424 2.354,425 1.086,426 3.414,427 1.883,428 0.937,429 1.281,431 2.275,432 0.873,433 2.097,434 1,435 3.253,436 1.529,437 0.658,438 0.941,440 1.604,441 0.557,442 1.426,443 0.668,444 3.238,445 1.08,446 0.158,447 0.19,449 0.383,450 0.14,451 1.247,452 0.586,453 2.753,454 0.711,455 -0.07,456 -0.085,458 -0.167,459 -0.047,460 1,461 0.377,462 2.669,463 0.532,464 -0.415,465 -0.54,467 -1.084,468 -0.374,469 14.167,470 0.489,471 1.019,472 0.035,473 39.75,474 1.371,475 21,476 0.724,477 18.75,478 0.647,479 24.427,480 0.842,481 31.433,482 0.714,483 31.365,484 1.082,485 7.372,486 0.254,487 6.281,488 0.217,489 0.212,490 0.059,491 0.318,494 1,496 0.543,497 1.094,498 0.684,499 1.018,500 0.605,501 0.845,502 0.585,503 1.163,504 0.75,505 1.089,506 0.595,507 0.885,508 0.941,509 1.007,510 0.964,511 0.969,512 1.019,513 1.018,514 1,515 1.008,516 1.237,517 1.253,518 0.91,519 0.954,520 1.203,521 0.953,522 0.899,523 0.985,524 1.33,525 0.925,526 1.135,527 0.914,528 0.846,529 0.766,530 1.174,531 0.732,532 1.048,533 0.91,534 0.943,535 0.804,536 0.994,537 0.85,538 0.928,539 0.858,540 0.798,541 0.895,542 1.094,543 0.944,544 8.5,545 0.231,546 4.222,547 2.41,548 2.086,549 1.261,550 0.625,551 0.623,552 0.371,553 0.274,554 10442,555 41210,556 1.965,557 34.1,558 6,559 6,561 1,562 1,563 1,567 1.72,568 1.785,569 3.548,570 -0.166,572 1,575 93.76,576 2.131,577 4.184,578 4.698,579 4.789,580 4.789,581 4.789,582 3.03,583 4.513,584 4.826,585 3.71,586 1506.32,587 8.41,588 20561.9,593 240.215,594 1.713,595 4.748,596 0.274,597 0.012,598 0.094,599 0.055,600 0.051,601 0.032,602 0.016,603 0.018,604 0.012,605 0.01,606 0.573,607 0.33,608 1,609 0.83,610 148.068,611 0.024,612 -0.049,613 0.09,614 -0.016,615 -0.085,616 0.018,617 0.149,618 -0.181,619 0.113,620 -0.091,621 0.13,622 0.041,623 0.032,624 -0.022,625 -0.022,626 0.001,627 -0.033,628 -0.077,629 -0.083,630 -0.035,631 -0.084,632 -0.095,633 0.004,634 0.067,635 -0.169,636 -0.095,637 0.025,638 -0.036,639 -0.185,640 -0.036,641 0.077,642 0.09,643 0.141,644 0.144,645 0.084,646 0.093,647 0.028,648 0.057,649 0.036,650 0.11,651 0.095,652 0.056,653 0.068,654 0.068,655 0.078,656 0.013,657 -0.041,658 -0.042,659 4.904,660 5.595,661 0.586,662 29.719,663 1.04,664 1.13,665 2.861,666 8.183,667 0.728,668 3.466,669 3.829,670 4.025,671 4.22,672 4.394,673 4.443,674 4.454,675 4.511,676 4.511,677 4.585,678 6.984,679 0.704,680 455.96,681 3.466,682 5.03,683 5.866,684 6.751,685 7.607,686 8.492,687 9.356,688 10.241,689 11.109,690 11.995,691 11.4,698 1,701 4,709 5,710 4,713 1,714 7,716 17,723 1,737 2,738 44,739 20,740 1,741 31,743 46,744 17,745 12,746 2,747 4,748 1,752 3,753 3,754 1,759 2,768 13,769 4,770 1,772 3,776 1,778 3,782 1,786 1,787 1,789 15,790 9,791 1,792 12,793 3,797 5,803 1,804 3,817 1,822 1,823 2,855 3,857 2,859 2,860 1,861 1,862 29,865 1,869 1,871 1,874 1,885 2,886 6.8,889 3,893 16.25,894 8.669,895 6.208,896 2.498,898 2.881,899 1.4,900 0.972,901 6.448,902 10.078,903 3.773,904 4.422,905 4.908,906 5.426,907 5.858,908 6.063,909 6.262,910 6.467,911 6.657,912 7.045,913 1,914 44,915 11.08,917 5.193,918 8.277,919 19.535,921 15.968,924 2.777,925 80.528,928 1,929 164.795,930 128.218,931 84.908,932 39.149,933 69.458,934 14.96,935 37.324,936 90.895,937 273.402,938 99.868,939 17.65,940 18.91,941 43.951,942 153.76,943 28.112,944 15.653,945 184.302,946 39.149,947 164.795,948 175.802,949 84.418,950 76.472,952 179.756,953 69.458,956 50.488,957 58.417,958 112.092,959 31.278,960 179.756,961 154.366,962 167.367,964 6.046,965 164.795,966 57.569,967 64.603,968 18.011,969 190.464,970 164.795,971 169.326,972 167.367,973 0.6,974 0.337,975 0.163,976 0.089,977 21,978 11,979 0.13,980 6,982 1,983 3.94,984 247.684,986 17,987 132.881,989 1,992 1,993 21.538,994 8.682,995 5.256,997 169.326,998 6.039,999 15.394,1002 1.193,1003 -0.133,1005 18.011,1006 501.488,1007 42.5,1011 -3.988,1013 37.696,1017 -0.734,1020 45.782,1021 49.735,1022 0.39,1023 0.766,1024 0.861,1025 0.877,1026 0.877,1027 0.877,1028 5.026,1029 1.558,1030 5.911,1031 5.031,1032 4.511,1033 5.109,1034 3.205,1035 6.756,1036 4.322,1037 6.287,1038 1.179,1039 7.509,1040 4.615,1041 4.369,1042 5.223,1044 7.936,1045 4.031,1046 7.643,1047 1,1048 9.216,1049 2.939,1050 6.196,1051 7.417,1052 5.45,1053 10.943,1054 5.798,1055 9.038,1056 0.937,1057 10.988,1058 2.364,1059 6.815,1060 8.311,1062 12.946,1063 6.236,1064 10.466,1065 0.658,1066 12.804,1067 2.275,1068 8.202,1069 10.059,1070 7.808,1071 15.577,1072 7.556,1073 11.918,1074 0.158,1075 14.653,1076 1.604,1077 9.14,1078 11.292,1080 17.9,1081 8.306,1082 13.389,1083 -0.07,1084 16.527,1085 0.383,1086 10.384,1087 12.887,1088 10.177,1089 20.436,1090 9.456,1091 3.406,1092 -0.415,1093 18.42,1094 -0.167,1095 11.463,1096 14.277,1098 22.881,1099 10.351,1100 2.962,1101 12.542,1102 20.331,1103 -1.084,1104 12.663,1105 15.821,1106 12.548,1107 25.399,1108 11.431,1109 2.816,1110 9.711,1111 22.254,1112 4.718,1113 13.807,1114 17.285,1116 27.891,1117 12.397,1118 2.562,1119 8.554,1120 24.188,1121 3.908,1122 14.999,1123 18.817,1124 14.919,1125 30.408,1126 13.449,1127 2.267,1128 7.127,1129 26.131,1130 3.759,1131 16.174,1132 20.319,1134 32.92,1135 14.45,1136 2.045,1137 6.596,1138 28.082,1139 3.588,1140 17.37,1141 21.851,1142 17.29,1143 35.441,1144 15.493,1145 1.852,1146 5.737,1147 30.039,1148 2.778,1149 18.562,1150 23.373,1152 37.961,1153 16.513,1154 10294,1155 20691,1156 19.592,1157 32.051,1158 47.298,1159 50.17,1160 48.885,1161 47.06,1162 46.802,1163 63.114,1164 8.661,1165 138.957,1166 42.507,1167 5.72,1168 7.263,1169 6.728,1170 5.399,1171 5.406,1172 7.718,1173 6.545,1174 19.969,1175 4.909,1176 18.544,1177 1.526,1178 1.618,1179 1.577,1180 1.518,1181 1.51,1182 2.036,1183 0.279,1184 4.482,1185 1.371,1186 4.092,1187 4.077,1188 4.742,1189 4.074,1190 8.201,1191 3.982,1192 3.88,1193 3.912,1194 4.227,1195 3.81,1196 7.714,1197 3.78,1198 3.838,1199 3.865,1200 3.947,1201 3.771,1202 7.429,1203 3.726,1204 3.648,1205 3.634,1206 3.819,1207 3.565,1208 6.999,1209 3.521,1210 3.438,1211 3.5,1212 3.366,1213 3.287,1214 5.035,1215 3.256,1216 3.145,1217 3.184,1218 3.233,1219 2.895,1220 4.993,1221 2.926,1222 2.949,1223 3.009,1224 3.045,1225 2.796,1226 4.624,1227 2.795,1228 2.874,1229 2.978,1230 2.896,1231 2.735,1232 4.437,1233 2.715,1234 0.157,1235 0.17,1236 0.236,1237 0.137,1238 0.11,1239 4.865,1240 0.152,1241 5.263,1242 0.106,1243 7.314,1244 0.405,1245 4.26,1246 0.094,1247 3.406,1248 4.718,1249 3.272,1250 12.542,1251 2.909,1252 1.961,1253 1.967,1254 2.008,1255 2.046,1256 1.255,1257 2.075,1258 1.8,1259 1.785,1260 1.915,1261 1.935,1262 1.147,1263 1.924,1264 1.687,1265 1.642,1266 1.768,1267 1.836,1268 0.915,1269 1.873,1270 1.517,1271 1.538,1272 1.439,1273 1.672,1274 0.723,1275 1.683,1276 1.281,1277 1.246,1278 1.417,1279 1.505,1280 0.469,1281 1.491,1282 0.934,1283 0.887,1284 1.321,1285 1.239,1286 0.421,1287 1.308,1288 0.91,1289 0.835,1290 1.181,1291 1.215,1292 0.218,1293 1.158,1294 0.886,1295 0.821,1296 0.966,1297 1.062,1298 0.12,1299 1.107,1300 4.143,1302 5.493,1303 2.398,1304 7.015,1305 4.595,1306 8.612,1307 6.581,1308 10.251,1310 3.872,1311 5.986,1312 13.011,1315 -0.454,1317 2.504,1320 0.143,1326 30.997,1327 93.76,1328 184.076,1329 206.705,1330 210.705,1331 210.705,1332 210.705,1333 85.201,1334 7.197,1335 114.8,1336 151.42,1337 17,1338 12.53,1339 4.392,1340 3.644,1341 52.492,1342 120,1343 127,1344 0.212,1345 203.067,1346 348.79,1347 487.243,1348 12675,1349 4.5,1350 21.181,1351 0.73,1352 0.608,1353 21.415,1354 17.646,1355 13.653,1356 0.44,1357 0.36,1358 8.404,1359 11.584,1360 7.918,1361 6.585,1362 14.777,1363 11.146,1364 13.366,1365 0.297,1366 0.213,1367 15.084,1368 9.589,1369 10.274,1370 0.187,1371 0.119,1372 12.154,1373 6.522,1374 7.937,1375 0.118,1376 0.064,1377 9.899,1378 4.321,1379 6.071,1380 0.076,1381 0.037,1382 7.565,1383 2.924,1384 0.334,1385 102.008,1386 0.226,1387 27.669,1388 0.576,1389 152,1390 616.155,1391 251.65,1392 636.397,1393 827.09,1394 582,1395 176,1396 528.64,1397 274.113,1398 584.624,1399 850.33,1400 544,1401 5.478}
{0 CHEMBL1431915,1 1.792,2 12.741,3 2.321,4 5.386,5 98.045,6 8.708,7 0.429,8 3.911,9 4.012,10 3.58,11 3.392,12 5.172,13 3.41,14 4.384,15 4.523,16 3.915,17 3.7,18 5.683,19 3.707,20 4.576,21 4.714,22 3.99,23 3.791,24 6.05,25 3.774,26 4.591,27 4.776,28 3.787,29 3.718,30 5.817,31 3.681,32 4.557,33 4.753,34 3.836,35 3.627,36 5.971,37 3.627,38 4.534,39 4.72,40 3.814,41 3.531,42 6.056,43 3.55,44 4.411,45 4.574,46 3.608,47 3.428,48 5.856,49 3.429,50 4.34,51 4.565,52 3.548,53 3.332,54 5.659,55 3.321,56 0.188,57 0.625,58 7.088,59 3.837,60 11.655,61 4.301,62 0.511,63 0.89,64 14.94,65 6.046,66 37.557,67 7.053,68 0.92,69 1.003,70 20.823,71 7.243,72 93.379,73 8.388,74 0.748,75 0.998,76 23.165,77 7.434,78 68.534,79 8.966,80 0.775,81 0.974,82 21.331,83 6.688,84 85.644,85 8.51,86 0.942,87 0.895,88 21.354,89 6.313,90 111.965,91 7.825,92 0.842,93 0.799,94 19.619,95 5.133,96 97.724,97 5.635,98 0.704,99 0.736,100 20.322,101 4.978,102 79.835,103 6.301,104 38,105 37,106 0.31,107 0.639,108 0.789,109 0.864,110 0.875,111 0.875,112 3.338,113 0.878,114 -3.12,115 -3.12,116 -3,120 40,121 1,125 1,126 1,143 7,144 1,145 4,159 3,171 1,174 6,177 3,180 3,182 1,185 8,188 2,189 4,192 6,193 1,194 2,197 6,201 2,204 2,205 1,206 2,213 2,214 7,219 3,226 3,227 6,230 2,232 7,239 1,240 2,243 2,245 6,252 4,257 3,263 1,264 7,269 3,274 1212,275 17.731,276 17.731,277 17.731,278 17.731,279 17.731,280 15.778,281 23.356,282 10.514,283 18.21,284 13.698,285 13.698,286 13.698,287 13.698,288 13.698,289 10.595,290 25.852,291 4.931,292 14.366,293 3.7,294 1.796,295 0.931,296 0.495,297 0.434,298 0.434,299 4.001,303 1,306 1,307 1,308 706,309 4.183,313 219.982,320 2.066,321 38.822,324 1,325 1,326 1,327 0.8,329 1,330 1,331 0.83,332 60.833,333 344,334 4.289,335 3.832,336 6.211,337 3.913,338 2.941,339 3.914,340 2.014,341 9.286,342 2.862,343 4.019,344 3.594,345 5.832,346 3.662,347 2.66,348 3.616,349 1.058,350 7.828,351 2.657,352 3.995,353 3.123,354 5.426,355 3.564,356 2.62,357 3.32,358 0.98,359 7.19,360 2.447,361 3.643,362 2.986,363 5.029,364 3.314,365 2.324,366 2.844,367 0.878,368 6.067,369 2.287,370 3.463,371 2.847,372 4.954,373 3.098,374 2.121,375 2.774,376 0.86,377 5.785,378 2.067,379 3.389,380 2.683,381 4.857,382 2.933,383 2.047,384 2.654,386 5.601,387 1.719,388 2.957,389 2.419,390 4.43,391 2.578,392 1.62,393 2.071,395 4.348,396 1.54,397 2.664,398 1.854,399 3.848,400 2.203,401 1.19,402 1.577,404 2.971,405 1.191,406 2.5,407 1.485,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 1.918,416 1.212,417 3.208,418 1.655,419 0.737,420 0.833,422 1.68,423 0.656,424 1.844,425 1.093,426 2.972,427 1.544,428 0.649,429 0.743,431 1.148,432 0.571,433 1.656,434 1,435 2.707,436 1.279,437 0.262,438 0.323,440 0.558,441 0.256,442 1.142,443 0.589,444 2.405,445 0.787,446 -0.165,447 -0.201,449 -0.299,450 -0.144,451 1.096,452 0.526,453 2.292,454 0.637,455 -0.225,456 -0.278,458 -0.47,459 -0.172,460 0.907,461 0.198,462 2,463 0.597,464 -0.393,465 -0.488,467 -0.938,468 -0.388,469 12.581,470 0.466,471 0.702,472 0.026,473 35,474 1.296,475 18,476 0.667,477 17,478 0.63,479 19.711,480 0.73,481 30.019,482 0.667,483 28.362,484 1.05,485 7.526,486 0.279,487 5.359,488 0.198,489 0.216,491 0.318,496 0.758,497 1.223,498 0.616,499 1.025,500 0.591,501 0.901,502 0.919,503 1.147,504 0.704,505 0.925,506 0.645,507 0.871,508 0.924,509 1.023,510 1.075,511 1.06,512 0.947,513 1.111,514 1.107,515 1.041,516 1.033,517 1.044,518 1.023,519 1.071,520 0.856,521 1.132,522 0.656,523 1.01,524 0.926,525 0.939,526 1.059,527 1.114,528 0.686,529 0.867,530 1.303,531 0.849,532 1.592,533 1.146,534 1.322,535 1.009,536 2.065,537 1.119,538 1.21,539 0.82,540 0.832,541 0.724,542 1.339,543 0.75,544 6.5,545 0.124,546 3.333,547 1.188,548 1.556,549 0.993,550 0.407,551 0.33,552 0.263,553 0.18,554 9380,555 34263,556 1.933,557 40,558 3,559 12,562 3,567 1.695,568 1.78,569 3.608,570 1.018,571 1,572 1,575 80.652,576 1.792,577 3.696,578 4.56,579 4.997,580 5.058,581 5.058,582 3.087,583 4.607,584 4.728,585 3.826,586 1342.94,587 8.176,588 18642.4,590 1,592 1,593 247.133,594 1.51,595 4.664,596 0.232,597 0.006,598 0.09,599 0.032,600 0.05,601 0.031,602 0.013,603 0.014,604 0.012,605 0.008,606 0.489,607 0.33,608 1,609 0.834,610 137.994,611 -0.069,612 0.006,613 0.006,614 -0.037,615 -0.075,616 0.004,617 -0.017,618 -0.053,619 0.068,620 0.044,621 0.024,622 0.056,623 0.147,624 0.031,625 -0.152,626 -0.095,627 0.087,628 -0.204,629 -0.128,630 -0.049,631 -0.134,632 -0.095,633 -0.121,634 -0.112,635 0.105,636 -0.131,637 0.126,638 -0.105,639 0.151,640 0.012,641 0.12,642 -0.162,643 0.137,644 0.022,645 0.133,646 0.074,647 -0.296,648 -0.131,649 -0.354,650 -0.128,651 -0.389,652 -0.266,653 -0.142,654 0.144,655 0.121,656 0.164,657 -0.101,658 0.2,659 2.71,660 4.942,661 0.444,662 27.951,663 1.03,664 1.129,665 1.891,666 3.574,667 0.672,668 3.367,669 3.638,670 3.784,671 3.892,672 4.094,673 3.989,674 3.784,675 3.807,676 3.761,677 3.664,678 7.612,679 0.66,680 391.84,681 3.367,682 4.875,683 5.673,684 6.506,685 7.323,686 8.156,687 8.979,688 9.812,689 10.638,690 11.472,691 6.7,698 3,709 7,714 5,716 12,735 2,737 1,738 45,739 15,740 2,741 28,743 46,744 18,745 12,746 5,747 7,748 2,752 2,753 2,754 1,759 1,768 15,769 3,772 3,778 3,782 3,786 1,789 18,790 8,791 3,792 9,793 1,797 3,801 1,803 1,804 5,823 2,838 1,855 2,859 2,860 1,862 27,869 1,871 3,872 2,885 1,886 11.1,889 3,891 2,893 15.167,894 8.56,895 6.139,896 2.307,898 1.954,899 1.296,900 0.931,901 7.757,902 8.565,903 3.638,904 4.159,905 4.58,906 4.958,907 5.463,908 5.374,909 5.213,910 5.407,911 5.422,912 5.227,913 1,914 37,915 9.958,917 4.119,918 8.183,919 17.971,921 13.524,924 2.683,925 72.444,928 1,929 176.567,930 124.678,931 53.787,932 39.149,933 97.435,936 124.678,937 313.15,938 53.787,939 19.708,940 58.38,941 66.334,942 89.549,943 41.93,945 176.567,946 39.149,947 176.567,948 178.465,949 97.435,950 39.149,952 176.567,953 97.435,956 67.205,957 111.261,958 39.149,960 176.567,961 151.222,962 163.827,965 176.567,966 38.636,967 86.042,968 53.787,969 136.583,970 176.567,971 151.222,972 163.827,973 0.574,974 0.322,975 0.151,976 0.09,977 14,978 8,979 0.152,980 7,982 1,983 3.921,984 202.163,986 12,987 124.382,993 20.865,994 10.038,995 6.656,997 151.222,998 11.533,1003 2.594,1005 53.787,1006 491.615,1007 37,1013 35.441,1017 -2.643,1020 46.334,1021 50.808,1022 0.326,1023 0.673,1024 0.83,1025 0.91,1026 0.921,1027 0.921,1028 4.844,1029 1.19,1030 5.645,1031 4.348,1032 4.317,1033 4.844,1034 2.709,1035 6.361,1036 4.235,1037 6.034,1038 1,1039 7.16,1040 2.971,1041 3.892,1042 4.649,1043 1.593,1044 7.096,1045 3.781,1046 7.32,1047 0.737,1048 8.766,1049 2.275,1050 5.838,1051 6.932,1052 3.428,1053 10.079,1054 5.693,1055 8.635,1056 0.649,1057 10.422,1058 1.68,1059 6.155,1060 7.458,1061 3.158,1062 11.58,1063 5.992,1064 9.974,1065 0.262,1066 12.109,1067 1.148,1068 7.592,1069 9.268,1070 4.512,1071 14.092,1072 7.4,1073 11.329,1074 -0.165,1075 13.817,1076 0.558,1077 8.256,1078 10.128,1079 4.687,1080 15.946,1081 8.047,1082 12.697,1083 -0.225,1084 15.542,1085 -0.299,1086 9.478,1087 11.737,1088 5.773,1089 18.279,1090 9.243,1091 2.941,1092 -0.393,1093 17.28,1094 -0.47,1095 10.322,1096 12.781,1097 6.17,1098 20.312,1099 10.068,1100 2.66,1101 9.286,1102 19.028,1103 -0.938,1104 11.445,1105 14.284,1106 7.105,1107 22.573,1108 11.169,1109 2.62,1110 7.828,1111 20.785,1112 3.914,1113 12.385,1114 15.439,1115 7.621,1116 24.697,1117 12.087,1118 2.324,1119 7.19,1120 22.55,1121 3.616,1122 13.464,1123 16.881,1124 8.467,1125 26.929,1126 13.144,1127 2.121,1128 6.067,1129 24.322,1130 3.32,1131 14.456,1132 18.107,1133 9.053,1134 29.1,1135 14.112,1136 2.047,1137 5.785,1138 26.099,1139 2.844,1140 15.518,1141 19.512,1142 9.845,1143 31.323,1144 15.151,1145 1.62,1146 5.601,1147 27.882,1148 2.774,1149 16.539,1150 20.783,1151 10.473,1152 33.519,1153 16.148,1154 9401,1155 18144,1156 17.8,1157 30.239,1158 40.958,1159 43.357,1160 42.345,1161 40.514,1162 40.343,1163 52.334,1164 11.581,1165 109.473,1166 38.505,1167 5.241,1168 5.832,1169 5.754,1170 4.977,1171 4.941,1172 6.914,1173 3.615,1174 15.684,1175 4.862,1176 16.69,1177 1.463,1178 1.548,1179 1.512,1180 1.447,1181 1.441,1182 1.869,1183 0.414,1184 3.91,1185 1.375,1186 3.955,1187 3.98,1188 3.994,1189 3.867,1190 7.499,1191 3.87,1192 3.896,1193 3.913,1194 3.897,1195 3.827,1196 7.428,1197 3.823,1198 3.676,1199 3.716,1200 3.644,1201 3.39,1202 7.353,1203 3.448,1204 3.491,1205 3.507,1206 3.481,1207 3.241,1208 4.976,1209 3.285,1210 3.312,1211 3.369,1212 3.287,1213 3.077,1214 4.86,1215 3.085,1216 3.093,1217 3.18,1218 3.151,1219 2.829,1220 4.577,1221 2.834,1222 3.004,1223 3.086,1224 2.925,1225 2.799,1226 4.401,1227 2.785,1228 2.898,1229 2.925,1230 2.753,1231 2.746,1232 4.219,1233 2.746,1234 0.153,1235 0.137,1236 0.222,1237 0.14,1238 0.105,1239 4.289,1240 0.14,1241 3.832,1242 0.072,1243 6.211,1244 0.332,1245 3.913,1246 0.102,1247 2.941,1248 3.914,1249 2.014,1250 9.286,1251 2.862,1252 1.91,1253 1.886,1254 2.019,1255 2.021,1256 1.134,1257 2.018,1258 1.867,1259 1.849,1260 1.957,1261 1.965,1262 1.042,1263 1.967,1264 1.512,1265 1.477,1266 1.648,1267 1.826,1268 0.743,1269 1.773,1270 1.36,1271 1.338,1272 1.608,1273 1.632,1274 0.634,1275 1.599,1276 1.26,1277 1.202,1278 1.509,1279 1.556,1280 0.538,1281 1.563,1282 1.071,1283 0.973,1284 1.422,1285 1.352,1286 0.357,1287 1.382,1288 0.934,1289 0.87,1290 1.181,1291 1.249,1292 0.218,1293 1.24,1294 0.886,1295 0.821,1296 1.178,1297 1.062,1298 0.177,1299 1.107,1300 4.043,1302 5.323,1304 6.779,1306 8.311,1308 9.884,1310 3.275,1311 5.746,1315 -0.352,1317 6.514,1318 10.335,1326 29.68,1327 80.652,1328 166.321,1329 205.217,1330 224.869,1331 227.624,1332 227.624,1333 72.648,1334 6.611,1335 105.76,1336 105.76,1337 12,1338 12.043,1339 4,1340 3.322,1341 58.843,1342 124,1343 124,1344 0.225,1345 190.996,1346 341.84,1347 457.791,1348 6520,1349 2.2,1350 19.811,1351 0.734,1352 0.571,1353 20.311,1354 15.424,1355 12.884,1356 0.46,1357 0.293,1358 7.683,1359 11.9,1360 7.432,1361 6.221,1362 13.173,1363 8.197,1364 11.423,1365 0.309,1366 0.158,1367 11.831,1368 5.839,1369 8.89,1370 0.207,1371 0.083,1372 9.179,1373 3.56,1374 6.212,1375 0.129,1376 0.044,1377 6.378,1378 2.124,1379 5.135,1380 0.087,1381 0.024,1382 5.371,1383 1.397,1384 0.368,1385 85.553,1386 0.237,1387 26.727,1388 0.58,1389 130,1390 517.88,1391 164.079,1392 512.858,1393 659.35,1394 474,1395 145,1396 433.612,1397 173.376,1398 444.459,1399 636.29,1400 413,1401 4.831}
{0 CHEMBL1432017,1 1.528,2 12.552,3 4.553,4 20.725,5 111.44,6 7.749,7 0.656,8 4.013,9 4.122,10 3.606,11 3.6,12 5.189,13 3.584,14 4.513,15 4.666,16 3.985,17 3.997,18 5.678,19 3.963,20 4.752,21 4.921,22 4.077,23 4.123,24 6.007,25 4.072,26 4.854,27 5.05,28 3.959,29 4.073,30 6.026,31 3.999,32 4.819,33 5.051,34 3.822,35 3.905,36 6.011,37 3.832,38 4.596,39 4.798,40 3.684,41 3.755,42 5.818,43 3.701,44 4.539,45 4.741,46 3.603,47 3.691,48 5.826,49 3.621,50 4.489,51 4.717,52 3.503,53 3.634,54 5.708,55 3.546,56 0.055,57 0.701,58 9.289,59 4.449,60 11.274,61 5.463,62 0.184,63 1.129,64 16.964,65 7.511,66 24.991,67 9.765,68 0.296,69 1.383,70 22.727,71 9.508,72 60.637,73 12.327,74 0.345,75 1.466,76 27.266,77 10.376,78 64.104,79 13.327,80 0.565,81 1.371,82 29.073,83 9.75,84 85.493,85 12.701,86 0.322,87 1.105,88 21.874,89 7.614,90 60.342,91 9.499,92 0.422,93 1.029,94 20.798,95 7.412,96 78.03,97 9.431,98 0.414,99 0.97,100 20.583,101 7.331,102 75.507,103 9.7,104 26,105 46,106 0.253,107 0.638,108 0.779,109 0.851,110 0.871,111 0.891,112 3.408,113 0.883,114 -4.02,115 -3.97,116 -3.76,120 46,121 2,122 1,126 1,143 7,144 6,147 1,148 1,152 1,153 1,158 1,159 1,174 14,177 4,180 2,182 5,185 16,188 1,189 6,192 1,194 6,197 14,201 5,204 1,206 5,209 7,214 6,217 2,218 2,219 4,222 6,227 5,232 5,235 5,239 1,240 3,243 1,245 5,247 4,251 1,252 3,255 1,257 4,260 5,264 4,269 3,271 6,274 1266,275 19.361,276 19.361,277 19.361,278 19.361,279 19.361,280 16.624,281 12.186,282 11.16,283 19.527,284 15.739,285 15.739,286 15.739,287 15.739,288 15.739,289 11.501,290 8.576,291 5.266,292 15.978,293 4.116,294 1.793,295 0.943,296 0.51,297 0.39,298 0.27,299 4.101,306 1,307 1,308 797,309 3.674,312 67.618,313 246.215,316 126.352,317 138.485,320 1.774,321 33.891,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 62.5,333 364,334 4.6,335 3.843,336 6.746,337 4.174,338 3.171,339 4.52,340 1.058,341 10.947,342 3.181,343 4.536,344 3.202,345 6.377,346 4.065,347 3.085,348 4.472,350 9.862,351 3.029,352 4.049,353 3.086,354 5.961,355 3.676,356 2.693,357 3.59,359 8.29,360 2.651,361 4.007,362 2.928,363 5.945,364 3.621,365 2.609,366 3.413,368 8.167,369 2.619,370 3.614,371 2.743,372 5.608,373 3.214,374 2.228,375 3.023,377 7.052,378 2.195,379 3.297,380 2.384,381 5.011,382 2.879,383 1.894,384 2.617,386 5.46,387 1.862,388 3.265,389 2.004,390 4.757,391 2.787,392 1.814,393 2.562,395 5.274,396 1.758,397 3.046,398 1.755,399 4.252,400 2.519,401 1.546,402 2.318,404 3.813,405 1.501,406 2.756,407 1.728,408 4.124,409 2.407,410 1.433,411 1.806,413 3.594,414 1.388,415 2.659,416 1.545,417 3.733,418 2.227,419 1.234,420 1.701,422 2.961,423 1.219,424 2.448,425 1.399,426 3.552,427 2.018,428 1.038,429 1.366,431 2.488,432 1.013,433 2.187,434 1.115,435 3.353,436 1.775,437 0.762,438 1.037,440 1.794,441 0.762,442 1.927,443 0.893,444 3.055,445 1.408,446 0.438,447 0.578,449 1.062,450 0.422,451 1.657,452 0.571,453 2.838,454 1.312,455 0.292,456 0.407,458 0.68,459 0.295,460 1.166,461 0.255,462 2.777,463 0.791,464 -0.209,465 -0.268,467 -0.525,468 -0.208,469 13.7,470 0.472,471 0.822,472 0.028,473 39.75,474 1.371,475 21.5,476 0.741,477 18.25,478 0.629,479 22.453,480 0.774,481 30.1,482 0.602,483 30.763,484 1.061,485 7.966,486 0.275,487 5.969,488 0.206,489 0.146,491 0.401,496 0.77,497 1.094,498 0.768,499 0.921,500 0.668,501 0.852,502 0.553,503 1.033,504 0.729,505 0.928,506 0.521,507 0.867,508 0.723,509 1.157,510 0.916,511 1.108,512 0.685,513 1.052,514 1.149,515 1.203,516 1.133,517 1.186,518 1.182,519 1.164,520 1.318,521 0.854,522 1.05,523 0.894,524 1.417,525 0.923,526 1.548,527 1.072,528 1.169,529 1.047,530 1.545,531 1.04,532 1.283,533 1.067,534 1.147,535 1.079,536 1.284,537 1.091,538 1.052,539 0.899,540 0.995,541 0.918,542 1.065,543 0.945,544 6,545 0.201,546 4.222,547 2.319,548 1.991,549 0.868,550 0.623,551 0.339,552 0.254,553 0.237,554 11933,555 31322,556 2.07,557 42,558 6,559 9,560 1,562 3,564 2,567 1.714,568 1.912,569 3.608,570 0.857,575 76.402,576 1.528,577 3.851,578 4.701,579 5.134,580 5.254,581 5.374,582 3.023,583 4.651,584 4.836,585 3.762,586 1527.25,587 8.389,588 21366.4,590 1,593 282.193,594 1.487,595 4.777,596 0.188,597 0.007,598 0.092,599 0.048,600 0.05,601 0.026,602 0.021,603 0.013,604 0.01,605 0.009,606 0.463,607 0.33,608 1,609 0.605,610 149.438,611 -0.087,612 0.016,613 0.015,614 0.072,615 -0.088,616 0.064,617 0.121,618 0.036,619 0.118,620 0.063,621 0.072,622 0.084,623 0.116,624 -0.127,625 -0.018,626 -0.125,627 0.138,628 -0.098,629 -0.084,630 -0.214,631 -0.161,632 -0.217,633 -0.109,634 -0.207,635 -0.025,636 0.115,637 0.013,638 0.055,639 -0.09,640 0.04,641 -0.221,642 -0.084,643 -0.148,644 -0.098,645 -0.157,646 -0.105,647 0.016,648 -0.101,649 -0.126,650 -0.118,651 0.057,652 -0.141,653 0.09,654 0.041,655 0.043,656 0.061,657 0.104,658 0.047,659 2.338,660 5.479,661 0.655,662 25.781,663 1.005,664 1.117,665 2.788,666 7.772,667 0.685,668 3.497,669 3.85,670 4.143,671 4.382,672 4.605,673 4.644,674 4.7,675 4.745,676 4.673,677 4.605,678 7.34,679 0.659,680 387.47,681 3.497,682 5.056,683 5.922,684 6.808,685 7.689,686 8.578,687 9.464,688 10.354,689 11.242,690 12.132,691 6,698 1,699 1,701 1,708 4,709 8,710 1,711 1,714 5,716 21,721 1,734 1,738 50,739 23,740 2,741 32,743 53,744 23,745 17,746 6,747 6,748 2,752 4,753 6,759 2,766 1,768 19,769 4,772 2,778 2,782 2,786 1,789 21,790 5,791 3,792 6,797 3,803 0.5,804 3,816 1,818 1,822 1,823 3,826 1,827 1,838 1,855 2,859 2,862 29,868 1,869 2,871 1,886 6,888 1,889 2,893 15.167,894 9.65,895 6.278,896 2.963,898 4.114,899 1.535,900 0.997,901 5.079,902 11.801,903 3.818,904 4.497,905 5.153,906 5.762,907 6.338,908 6.658,909 6.992,910 7.325,911 7.387,912 7.248,913 1,914 48,915 10.776,917 4.711,918 7.891,919 20.231,921 16.764,924 2.391,925 69.333,927 1,928 1,929 211.88,930 129.686,931 51.582,933 92.973,936 129.686,937 304.853,938 51.582,939 17.65,940 22.651,941 75.381,942 119.597,943 36.818,944 13.915,945 200.109,947 211.88,948 181.268,949 92.973,952 188.338,953 116.515,956 59.231,957 105.252,958 16.786,960 211.88,961 144.555,962 129.686,965 211.88,966 36.655,967 93.032,968 34.796,969 109.759,970 211.88,971 144.555,972 129.686,973 0.593,974 0.358,975 0.185,976 0.101,977 23,978 11,979 0.094,980 5,981 2,982 1.211,983 4.08,984 253.276,985 0.211,986 19,987 140.881,993 19.161,994 7.687,995 3.74,996 3.186,997 127.769,998 14.727,999 4.257,1000 2.997,1003 3.173,1005 77.48,1006 486.121,1007 44.5,1013 24.782,1017 -1.26,1020 50.24,1021 55.86,1022 0.271,1023 0.682,1024 0.833,1025 0.91,1026 0.931,1027 0.952,1028 5.058,1029 1.546,1030 5.927,1031 5.274,1032 4.533,1033 5.185,1034 1.176,1035 6.763,1036 4.507,1037 6.304,1038 1.433,1039 7.51,1040 3.813,1041 4.205,1042 5.156,1044 7.7,1045 4.187,1046 7.64,1047 1.234,1048 9.192,1049 3.594,1050 6.159,1051 7.511,1052 1.255,1053 10.808,1054 6.118,1055 9.013,1056 1.038,1057 10.93,1058 2.961,1059 6.635,1060 8.301,1062 12.547,1063 6.605,1064 10.418,1065 0.762,1066 12.702,1067 2.488,1068 8.077,1069 10.144,1070 1.338,1071 15.177,1072 8.027,1073 11.844,1074 0.438,1075 14.497,1076 1.794,1077 8.91,1078 11.309,1080 17.255,1081 8.868,1082 13.287,1083 0.292,1084 16.309,1085 1.062,1086 10.157,1087 12.951,1088 1.422,1089 19.716,1090 10.101,1091 3.171,1092 -0.209,1093 18.133,1094 0.68,1095 11.153,1096 14.295,1098 21.948,1099 11.101,1100 3.085,1101 10.947,1102 19.967,1103 -0.525,1104 12.324,1105 15.852,1106 1.51,1107 24.348,1108 12.263,1109 2.693,1110 9.862,1111 21.809,1112 4.52,1113 13.394,1114 17.28,1116 26.653,1117 13.334,1118 2.609,1119 8.29,1120 23.657,1121 4.472,1122 14.538,1123 18.803,1124 1.599,1125 29.032,1126 14.472,1127 2.228,1128 8.167,1129 25.511,1130 3.59,1131 15.642,1132 20.27,1134 31.373,1135 15.576,1136 1.894,1137 7.052,1138 27.369,1139 3.413,1140 16.777,1141 21.78,1142 1.69,1143 33.747,1144 16.708,1145 1.814,1146 5.46,1147 29.232,1148 3.023,1149 17.898,1150 23.266,1152 36.106,1153 17.828,1154 11220,1155 18346,1156 21.096,1157 34.233,1158 49.157,1159 50.956,1160 50.196,1161 48.511,1162 48.471,1163 66.819,1164 2.117,1165 142.885,1166 47.791,1167 5.523,1168 5.843,1169 6.428,1170 5.216,1171 5.171,1172 7.52,1173 2.117,1174 18.265,1175 5.181,1176 15.679,1177 1.536,1178 1.592,1179 1.569,1180 1.516,1181 1.515,1182 2.088,1183 0.066,1184 4.465,1185 1.493,1186 4.136,1187 4.166,1188 4.098,1189 4.054,1190 7.498,1191 4.061,1192 4.082,1193 4.107,1194 4.046,1195 4.016,1196 7.353,1197 4.02,1198 3.706,1199 3.751,1200 3.628,1201 3.578,1202 6.475,1203 3.579,1204 3.573,1205 3.596,1206 3.519,1207 3.416,1208 4.957,1209 3.438,1210 3.39,1211 3.454,1212 3.278,1213 3.223,1214 4.892,1215 3.228,1216 3.227,1217 3.279,1218 3.109,1219 3.027,1220 4.316,1221 3.042,1222 3.168,1223 3.253,1224 2.993,1225 3.012,1226 4.293,1227 2.997,1228 2.983,1229 3.037,1230 2.853,1231 2.805,1232 4.117,1233 2.804,1234 0.144,1235 0.12,1236 0.211,1237 0.13,1238 0.099,1239 4.6,1240 0.141,1241 3.843,1242 0.033,1243 6.746,1244 0.342,1245 4.174,1246 0.099,1247 3.171,1248 4.52,1249 1.058,1250 10.947,1251 3.181,1252 2.059,1253 2.038,1254 2.137,1255 2.139,1256 1.31,1257 2.139,1258 1.936,1259 1.915,1260 2.027,1261 2.016,1262 1.149,1263 2.02,1264 1.688,1265 1.647,1266 1.871,1267 1.876,1268 1.112,1269 1.867,1270 1.588,1271 1.561,1272 1.695,1273 1.759,1274 0.761,1275 1.749,1276 1.38,1277 1.314,1278 1.608,1279 1.614,1280 0.71,1281 1.612,1282 1.201,1283 1.12,1284 1.567,1285 1.427,1286 0.63,1287 1.479,1288 1.158,1289 1.108,1290 1.339,1291 1.405,1292 0.378,1293 1.393,1294 0.978,1295 0.927,1296 1.211,1297 1.204,1298 0.309,1299 1.204,1300 4.174,1302 5.517,1303 2.398,1304 7.054,1305 4.727,1306 8.679,1307 6.843,1308 10.352,1310 4.027,1314 10.217,1315 0.59,1317 2.638,1326 32.95,1327 76.402,1328 192.567,1329 235.032,1330 256.683,1331 262.683,1332 268.683,1333 58.929,1334 7.687,1335 95.08,1336 95.08,1337 23,1338 12.661,1339 4.585,1340 3.755,1341 45.038,1342 132,1343 106,1344 0.166,1345 201.991,1346 343.75,1347 484.618,1348 25869,1350 20.543,1351 0.708,1352 0.56,1353 20.543,1354 16.244,1355 13.936,1356 0.435,1357 0.294,1358 9.327,1359 13.542,1360 9.037,1361 7.517,1362 13.936,1363 9.423,1364 12.872,1365 0.28,1366 0.156,1367 12.872,1368 7.183,1369 11.268,1370 0.182,1371 0.084,1372 11.268,1373 5.206,1374 8.894,1375 0.113,1376 0.043,1377 8.894,1378 3.431,1379 7.238,1380 0.073,1381 0.023,1382 7.238,1383 2.325,1384 0.268,1385 86.662,1386 0.218,1387 27.89,1388 0.437,1389 156,1390 451.932,1391 168.028,1392 443.088,1393 604.11,1394 412,1395 186,1396 443.782,1397 198.306,1398 453.9,1399 665.13,1400 427,1401 4.675}
{0 CHEMBL1433076,1 1.613,2 14.097,3 3.981,4 15.852,5 114.763,6 7.599,7 0.471,8 4.12,9 4.24,10 3.692,11 3.667,12 5.241,13 3.65,14 4.683,15 4.854,16 4.058,17 4.081,18 5.799,19 4.037,20 5.004,21 5.225,22 4.114,23 4.205,24 6.197,25 4.126,26 5.05,27 5.3,28 3.944,29 4.124,30 6.103,31 4.026,32 4.928,33 5.178,34 3.902,35 4.03,36 6.004,37 3.938,38 4.887,39 5.113,40 3.883,41 4.001,42 6.048,43 3.922,44 4.846,45 5.081,46 3.8,47 3.991,48 5.971,49 3.887,50 4.839,51 5.096,52 3.727,53 3.961,54 5.991,55 3.83,56 0.067,57 0.947,58 10.907,59 5.322,60 12.715,61 6.647,62 0.273,63 1.547,64 21.429,65 9.094,66 31.078,67 11.828,68 0.611,69 2.024,70 33.472,71 12.491,72 109.962,73 16.467,74 0.677,75 1.777,76 37.428,77 12.298,78 115.138,79 16.584,80 0.638,81 1.571,82 32.973,83 11.216,84 95.09,85 15.307,86 0.702,87 1.515,88 31.213,89 10.529,90 107.702,91 13.752,92 0.599,93 1.465,94 29.545,95 10.365,96 108.268,97 14,98 0.671,99 1.459,100 30.033,101 10.696,102 123.432,103 14.892,104 17,105 47,106 0.264,107 0.609,108 0.801,109 0.904,110 0.91,111 0.91,112 3.471,113 0.932,114 -4.82,115 -4.74,116 -4.45,120 42.9,122 4,123 1,126 3,143 7,144 3,145 2,152 1,153 1,159 2,174 12,176 1,177 5,180 1,182 5,185 10,189 7,194 5,197 7,201 7,206 3,209 5,214 7,217 2,219 1,222 9,226 1,227 5,230 1,232 1,235 11,245 2,247 10,251 1,252 2,255 1,257 3,260 9,264 4,269 3,271 6,274 1749,275 20.878,276 20.878,277 20.878,278 20.878,279 20.878,280 18.69,281 18.616,282 12.261,283 21.154,284 16.75,285 16.75,286 16.75,287 16.75,288 16.75,289 13.378,290 19.6,291 5.838,292 17.211,293 4.194,294 2.089,295 0.914,296 0.286,297 0.25,298 0.25,299 4.166,306 1,307 1,308 953,309 3.742,312 83.345,313 320.02,316 142.807,320 2.229,321 44.483,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 68.5,333 437,334 4.464,335 3.698,336 6.44,337 4.041,338 3.056,339 4.381,340 1.909,341 9.911,342 3.01,343 4.216,344 3.58,345 6.131,346 3.79,347 2.832,348 3.87,349 1.2,350 8.985,351 2.737,352 4.109,353 3.297,354 5.951,355 3.781,356 2.815,357 3.497,358 0.561,359 8.325,360 2.691,361 3.708,362 2.899,363 5.467,364 3.501,365 2.499,366 2.908,367 0.293,368 7.23,369 2.497,370 3.539,371 2.621,372 5.245,373 3.323,374 2.338,375 2.747,377 6.538,378 2.296,379 3.447,380 2.595,381 5.051,382 3.098,383 2.115,384 2.614,386 5.962,387 2.047,388 3.102,389 2.102,390 4.903,391 2.846,392 1.877,393 2.301,395 5.57,396 1.812,397 3.034,398 2.027,399 4.373,400 2.509,401 1.534,402 2.192,404 4.215,405 1.494,406 2.82,407 1.866,408 4.042,409 2.353,410 1.414,411 1.949,413 3.525,414 1.311,415 2.605,416 1.534,417 3.752,418 2.279,419 1.281,420 1.638,422 2.859,423 1.275,424 2.403,425 1.26,426 3.477,427 2.075,428 1.103,429 1.335,431 2.481,432 1.069,433 2.097,434 1.233,435 3.392,436 1.797,437 0.826,438 0.984,440 1.944,441 0.793,442 1.916,443 1.08,444 3.298,445 1.763,446 0.761,447 0.867,449 1.858,450 0.758,451 1.878,452 1.014,453 3.011,454 1.42,455 0.424,456 0.537,458 0.96,459 0.415,460 1.634,461 0.699,462 2.897,463 1.346,464 0.358,465 0.476,467 0.883,468 0.352,469 14.438,470 0.466,471 0.767,472 0.025,473 36.75,474 1.185,475 17,476 0.548,477 19.75,478 0.637,479 27.825,480 0.898,481 34.162,482 0.61,483 28.465,484 0.918,485 7.228,486 0.233,487 7.763,488 0.25,489 0.086,491 0.339,494 2,496 0.583,497 1.072,498 0.736,499 1.058,500 0.492,501 0.958,502 0.597,503 1.034,504 0.854,505 1.086,506 0.511,507 1.043,508 0.775,509 0.998,510 0.959,511 1.116,512 0.72,513 1.091,514 1.023,515 0.846,516 1.05,517 0.944,518 1.028,519 0.988,520 0.823,521 0.742,522 0.912,523 0.92,524 0.895,525 0.936,526 1.076,527 0.768,528 1.077,529 0.947,530 1.216,531 1.006,532 0.812,533 0.817,534 1.036,535 1.002,536 0.814,537 1.06,538 0.559,539 0.815,540 0.941,541 0.994,542 0.519,543 1.05,544 6.5,545 0.164,546 3.778,547 1.694,548 1.644,549 0.851,550 0.527,551 0.436,552 0.242,553 0.157,554 15277,555 45148,556 2.084,557 44.6,558 4,559 13,560 1,562 2,563 2,564 3,567 1.731,568 1.958,569 3.779,570 0.193,572 1,575 90.321,576 1.613,577 3.718,578 4.894,579 5.522,580 5.557,581 5.557,582 3.244,583 4.696,584 4.927,585 3.967,586 1844.61,587 8.572,588 28089.5,590 1,592 1,593 325.212,594 1.383,595 4.888,596 0.191,597 0.007,598 0.08,599 0.037,600 0.043,601 0.023,602 0.015,603 0.013,604 0.008,605 0.006,606 0.423,607 0.17,608 1,609 0.541,610 165.394,611 -0.034,612 -0.058,613 0.031,614 0.009,615 -0.008,616 0.032,617 0.036,618 -0.073,619 -0.015,620 -0.07,621 0.046,622 -0.059,623 0.053,624 -0.067,625 -0.021,626 -0.125,627 0.096,628 -0.099,629 -0.122,630 -0.04,631 -0.061,632 -0.004,633 -0.099,634 -0.012,635 0.022,636 0.054,637 0.067,638 0.032,639 -0.026,640 0.054,641 -0.071,642 0.05,643 -0.092,644 0.003,645 -0.12,646 -0.044,647 -0.007,648 -0.021,649 -0.084,650 -0.041,651 0.02,652 -0.072,653 0.159,654 -0.004,655 0.017,656 -0.023,657 0.182,658 -0.035,659 2.589,660 5.935,661 0.677,662 35.455,663 1.011,664 1.135,665 3.595,666 12.923,667 0.66,668 3.555,669 3.871,670 4.111,671 4.304,672 4.5,673 4.511,674 4.595,675 4.663,676 4.635,677 4.682,678 8.3,679 0.635,680 425.52,681 3.555,682 5.094,683 5.932,684 6.792,685 7.644,686 8.506,687 9.363,688 10.226,689 11.086,690 11.95,691 5.4,698 2,699 1,708 2,709 8,711 1,714 4,716 16,724 1,737 2,738 56,739 18,740 2,741 34,743 59,744 24,745 14,746 6,747 6,748 1,752 4,753 5,763 2,764 1,766 4,768 16,769 8,770 1,772 2,778 2,782 2,786 1,787 2,789 25,790 6,791 2,792 7,797 3,803 0.75,804 2,818 1,822 1,823 3,826 1,838 1,855 3,861 2,862 31,869 7,871 1,874 1,875 1,885 2,886 3.6,889 2,893 15.833,894 9.819,895 6.778,896 3.509,898 2.77,899 1.359,900 0.998,901 6.672,902 10.474,903 3.807,904 4.379,905 4.914,906 5.417,907 5.888,908 6.115,909 6.41,910 6.666,911 6.471,912 6.573,913 1,914 46,915 11.619,917 5.123,918 8.022,919 21.87,921 18.395,924 2.522,925 78.167,928 1,929 270.735,930 130.576,931 37.921,933 50.29,934 29.92,936 130.576,937 321.025,938 67.841,940 37.59,941 75.381,942 59.699,943 43.972,944 43.835,945 258.964,947 270.735,948 168.497,949 80.21,952 265.342,953 85.603,956 54.376,957 114.121,960 300.656,961 88.21,962 130.576,965 270.735,966 55.195,967 78.505,968 34.796,969 80.21,970 270.735,971 118.131,972 130.576,973 0.585,974 0.339,975 0.168,976 0.091,977 22,978 10,979 0.102,980 6,981 1,982 1.095,983 4.387,984 265.999,985 0.095,986 21,987 151.58,993 21.515,994 9.613,995 5.316,996 2.013,997 101.345,998 13.098,1000 3.134,1003 -0.644,1005 34.796,1006 519.442,1007 44,1013 25.119,1017 -0.116,1020 56.589,1021 63.576,1022 0.278,1023 0.64,1024 0.843,1025 0.951,1026 0.957,1027 0.957,1028 5.043,1029 1.534,1030 5.911,1031 5.57,1032 4.554,1033 5.066,1034 2.349,1035 6.681,1036 4.502,1037 6.234,1038 1.414,1039 7.451,1040 4.215,1041 4.111,1042 4.879,1043 1.668,1044 7.483,1045 4.028,1046 7.531,1047 1.281,1048 9.085,1049 3.525,1050 6.12,1051 7.231,1052 3.096,1053 10.539,1054 6.022,1055 8.86,1056 1.103,1057 10.774,1058 2.859,1059 6.479,1060 7.884,1061 3.076,1062 12.14,1063 6.347,1064 10.221,1065 0.826,1066 12.498,1067 2.481,1068 7.946,1069 9.719,1070 4.125,1071 14.703,1072 7.801,1073 11.602,1074 0.761,1075 14.245,1076 1.944,1077 8.672,1078 10.769,1079 4.434,1080 16.648,1081 8.495,1082 13.001,1083 0.424,1084 16.01,1085 1.858,1086 9.917,1087 12.393,1088 5.291,1089 19.03,1090 9.725,1091 3.056,1092 0.358,1093 17.787,1094 0.96,1095 10.823,1096 13.644,1097 5.766,1098 21.138,1099 10.601,1100 2.832,1101 9.911,1102 19.574,1103 0.883,1104 11.971,1105 15.175,1106 6.523,1107 23.448,1108 11.733,1109 2.815,1110 8.985,1111 21.37,1112 4.381,1113 12.966,1114 16.527,1115 7.082,1116 25.636,1117 12.703,1118 2.499,1119 8.325,1120 23.173,1121 3.87,1122 14.074,1123 18.017,1124 7.787,1125 27.919,1126 13.794,1127 2.338,1128 7.23,1129 24.981,1130 3.497,1131 15.114,1132 19.423,1133 8.388,1134 30.148,1135 14.812,1136 2.115,1137 6.538,1138 26.795,1139 2.908,1140 16.208,1141 20.896,1142 9.066,1143 32.423,1144 15.888,1145 1.877,1146 5.962,1147 28.613,1148 2.747,1149 17.271,1150 22.33,1151 9.688,1152 34.673,1153 16.933,1154 14352,1155 24862,1156 22.77,1157 36.938,1158 51.154,1159 53.383,1160 51.923,1161 50.64,1162 50.564,1163 64.707,1164 7.926,1165 142.699,1166 49.198,1167 5.464,1168 5.698,1169 5.993,1170 5.078,1171 5.056,1172 7.381,1173 3.31,1174 16.79,1175 5.01,1176 15.07,1177 1.505,1178 1.57,1179 1.527,1180 1.489,1181 1.487,1182 1.903,1183 0.233,1184 4.197,1185 1.447,1186 4.124,1187 4.158,1188 4.08,1189 4.037,1190 8.24,1191 4.043,1192 3.948,1193 3.984,1194 3.9,1195 3.854,1196 8.161,1197 3.858,1198 3.88,1199 3.929,1200 3.776,1201 3.751,1202 7.43,1203 3.747,1204 3.627,1205 3.673,1206 3.549,1207 3.433,1208 7.426,1209 3.45,1210 3.48,1211 3.521,1212 3.399,1213 3.33,1214 4.971,1215 3.339,1216 3.283,1217 3.362,1218 3.138,1219 3.092,1220 4.56,1221 3.093,1222 3.123,1223 3.194,1224 3.002,1225 2.916,1226 4.315,1227 2.926,1228 3.06,1229 3.12,1230 2.925,1231 2.88,1232 4.221,1233 2.879,1234 0.131,1235 0.109,1236 0.189,1237 0.119,1238 0.09,1239 4.464,1240 0.129,1241 3.698,1242 0.056,1243 6.44,1244 0.291,1245 4.041,1246 0.089,1247 3.056,1248 4.381,1249 1.909,1250 9.911,1251 3.01,1252 1.958,1253 1.935,1254 2.088,1255 2.076,1256 1.47,1257 2.079,1258 1.898,1259 1.872,1260 2.01,1261 2.012,1262 1.162,1263 2.009,1264 1.85,1265 1.801,1266 1.99,1267 1.977,1268 1.142,1269 1.986,1270 1.552,1271 1.5,1272 1.775,1273 1.776,1274 1.064,1275 1.77,1276 1.484,1277 1.424,1278 1.659,1279 1.696,1280 0.737,1281 1.692,1282 1.265,1283 1.204,1284 1.515,1285 1.513,1286 0.671,1287 1.518,1288 1.205,1289 1.155,1290 1.414,1291 1.435,1292 0.623,1293 1.43,1294 1.048,1295 0.982,1296 1.345,1297 1.273,1298 0.584,1299 1.301,1300 4.234,1302 5.549,1303 2.398,1304 7.047,1305 4.595,1306 8.625,1307 6.581,1308 10.246,1312 26.241,1315 4.437,1317 2.747,1320 0.265,1321 1.872,1326 35.582,1327 90.321,1328 208.202,1329 274.051,1330 309.212,1331 311.212,1332 311.212,1333 77.668,1334 7.705,1335 65.2,1336 65.2,1337 23,1338 12.498,1339 4.248,1340 3.459,1341 49.815,1342 155,1343 148,1344 0.151,1345 215.838,1346 380.58,1347 518.405,1348 27861,1349 3.6,1350 21.794,1351 0.703,1352 0.554,1353 20.054,1354 17.166,1355 14.991,1356 0.441,1357 0.311,1358 10.419,1359 14.402,1360 10.255,1361 8.438,1362 14.187,1363 10.564,1364 13.57,1365 0.289,1366 0.172,1367 12.44,1368 8.103,1369 11.483,1370 0.191,1371 0.098,1372 10.501,1373 5.862,1374 8.78,1375 0.12,1376 0.056,1377 8.334,1378 4.122,1379 7.048,1380 0.079,1381 0.032,1382 6.628,1383 2.873,1384 0.247,1385 94.317,1386 0.21,1387 29.926,1388 0.389,1389 162,1390 572.004,1391 179.946,1392 500.148,1393 654.96,1394 464,1395 188,1396 457.418,1397 205.804,1398 451.344,1399 657.99,1400 425,1401 4.41}
{0 CHEMBL1433182,1 1.75,2 9,3 3.289,4 10.819,5 79.874,6 8.738,7 0.571,8 3.578,9 3.675,10 3.333,11 3.239,12 4.817,13 3.186,14 4.032,15 4.181,16 3.679,17 3.523,18 5.296,19 3.467,20 4.189,21 4.358,22 3.673,23 3.577,24 5.511,25 3.511,26 4.174,27 4.354,28 3.679,29 3.493,30 5.654,31 3.395,32 4.034,33 4.213,34 3.263,35 3.369,36 5.259,37 3.212,38 3.899,39 4.121,40 3.261,41 3.184,42 5.117,43 3.044,44 3.713,45 3.923,46 3.054,47 3.046,48 4.827,49 2.946,50 3.683,51 3.883,52 3.117,53 2.942,54 5.144,55 2.934,56 0.033,57 0.515,58 5.177,59 3.109,60 5.235,61 3.491,62 0.123,63 0.821,64 11.953,65 5.008,66 14.366,67 5.799,68 0.221,69 0.965,70 13.908,71 5.721,72 30.141,73 5.924,74 0.381,75 0.922,76 15.711,77 6.298,78 68.209,79 6.431,80 0.268,81 0.808,82 19.048,83 6.189,84 35.733,85 5.589,86 0.262,87 0.664,88 14.395,89 5.24,90 34.695,91 5.94,92 0.094,93 0.528,94 11.009,95 4.18,96 15.188,97 4.903,98 0.225,99 0.579,100 9.021,101 3.173,102 25.775,103 3.818,104 17,105 28,106 0.325,107 0.639,108 0.738,109 0.803,110 0.815,111 0.815,112 3.056,113 0.983,114 -4.36,115 -4.29,116 -4.05,120 45.5,121 2,136 1,138 1,143 5,144 1,145 1,147 2,151 1,158 1,174 4,176 1,177 8,185 8,189 1,197 3,201 7,209 7,214 1,222 2,226 2,227 2,235 5,240 2,247 1,252 7,260 3,264 2,271 3,274 460,275 13.137,276 13.137,277 13.137,278 13.137,279 13.137,280 11.258,281 10.68,282 7.896,283 13.519,284 10.361,285 10.361,286 10.361,287 10.361,288 10.361,289 7.58,290 9.499,291 3.753,292 10.985,293 3.294,294 1.599,295 1.064,296 0.712,297 0.652,298 0.652,299 3.713,305 1,306 1,307 1,308 372,309 2.915,313 145.282,320 1.3,321 25.383,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 43.5,333 180,334 4.321,335 4.41,336 6.385,337 3.947,338 2.952,339 3.931,340 2.95,341 9.619,342 2.938,343 4.162,344 3.548,345 5.663,346 3.687,347 2.768,348 3.811,350 7.92,351 2.56,352 3.528,353 2.915,354 4.918,355 3.062,356 2.108,357 2.818,359 5.65,360 2.022,361 3.318,362 2.841,363 4.849,364 2.886,365 1.966,366 2.565,368 5.308,369 1.787,370 3.232,371 2.486,372 4.618,373 2.832,374 1.879,375 2.481,377 4.963,378 1.737,379 2.866,380 2.147,381 3.877,382 2.382,383 1.414,384 2.022,386 3.171,387 1.356,388 2.789,389 1.663,390 3.589,391 2.223,392 1.261,393 1.824,395 2.883,396 1.205,397 2.409,398 1.315,399 3.271,400 1.794,401 0.842,402 1.201,404 1.917,405 0.775,406 1.287,407 0.665,408 2.654,409 0.811,410 -0.083,411 -0.106,413 -0.2,414 -0.073,415 1.092,416 0.453,417 2.382,418 0.639,419 -0.304,420 -0.411,422 -0.673,423 -0.274,424 1,425 0.332,426 2.188,427 0.591,428 -0.347,429 -0.445,431 -0.891,432 -0.325,433 0.771,434 -0.11,435 2,436 0.451,437 -0.53,438 -0.645,440 -1.246,441 -0.514,442 0.63,443 -0.169,444 1.818,445 0.153,446 -0.849,447 -1.132,449 -2.015,450 -0.837,451 0.223,452 -0.625,453 1.521,454 -0.07,455 -1,456 -1.296,458 -2.479,459 -0.901,460 0.005,461 -1.118,462 1.303,463 -0.449,464 -1.414,465 -1.889,467 -3.459,468 -1.277,469 9.752,470 0.488,471 0.527,472 0.026,473 27.5,474 1.375,475 15.5,476 0.775,477 12,478 0.6,479 13.284,480 0.664,481 20.848,482 0.632,483 18.117,484 0.906,485 5.606,486 0.28,487 3.953,488 0.198,489 0.166,491 0.308,494 1,496 0.542,497 0.976,498 0.683,499 0.889,500 0.55,501 0.876,502 0.602,503 1.082,504 0.78,505 1.057,506 0.584,507 0.89,508 1.222,509 1.068,510 1.02,511 0.946,512 1.115,513 0.951,514 1.174,515 1.096,516 0.984,517 1.009,518 1.183,519 0.983,520 1.378,521 1.06,522 2.143,523 1.6,524 1.238,525 1.321,526 0.613,527 0.861,528 0.921,529 1.01,530 0.768,531 0.939,532 0.595,533 0.964,534 0.944,535 1.083,536 0.611,537 0.917,538 0.783,539 0.776,540 0.639,541 0.78,542 0.804,543 0.716,544 4.5,545 0.062,546 2,547 1.813,548 0.836,549 0.41,550 0.202,551 0.234,552 0.128,553 0.161,554 3877,555 12667,556 1.966,557 39.4,559 6,560 1,563 6,567 1.612,568 1.818,569 3.153,570 -0.738,572 1,574 1,575 57.756,576 1.75,577 3.445,578 3.98,579 4.332,580 4.393,581 4.393,582 2.504,583 3.722,584 4.301,585 3.327,586 632.199,587 7.314,588 6802.27,589 1,590 1,591 1,592 1,593 166.465,594 1.485,595 4.237,596 0.214,597 0.006,598 0.071,599 0.067,600 0.036,601 0.026,602 0.013,603 0.016,604 0.008,605 0.012,606 0.469,607 0.5,608 1,609 0.68,610 90.352,611 -0.012,612 -0.073,613 0.051,614 0.013,615 -0.062,616 0.002,617 0.087,618 -0.164,619 0.145,620 -0.085,621 0.053,622 0.041,623 -0.182,624 -0.023,625 -0.091,626 -0.006,627 -0.108,628 -0.056,629 0.085,630 -0.027,631 0.111,632 0.041,633 0.148,634 -0.025,635 -0.328,636 -0.001,637 -0.654,638 -0.306,639 -0.221,640 -0.34,641 0.227,642 -0.002,643 0.217,644 0.062,645 0.085,646 0.112,647 0.065,648 -0.17,649 0.102,650 -0.06,651 0.04,652 0.116,653 0.294,654 0.186,655 0.17,656 0.043,657 0.251,658 0.189,659 2.185,660 5.41,661 0.6,662 13.7,663 1.013,664 1.12,665 3.126,666 9.772,667 0.716,668 3.091,669 3.367,670 3.526,671 3.714,672 3.738,673 3.611,674 3.434,675 3.497,676 3.466,677 3.584,678 5.668,679 0.681,680 288.37,681 3.091,682 4.595,683 5.398,684 6.244,685 7.057,686 7.905,687 8.72,688 9.569,689 10.385,690 11.233,691 6.1,701 2,709 5,710 2,714 5,716 12,721 1,737 1,738 33,739 14,740 1,741 21,743 34,744 15,745 10,746 2,747 4,748 3,752 2,753 2,759 2,768 13,769 2,772 2,778 1,780 2,782 1,785 1,786 1,787 1,789 13,790 4,792 5,793 1,797 2,803 1,804 1,817 1,823 2,845 1,855 2,856 1,857 1,859 2,861 1,862 20,873 1,885 1,886 3,889 1,893 11,894 6.71,895 4.472,896 1.861,898 2.697,899 1.44,900 0.956,901 4.649,902 8.83,903 3.401,904 3.97,905 4.472,906 4.975,907 5.362,908 5.364,909 5.361,910 5.667,911 5.829,912 6.246,913 0.833,914 27,915 7.387,917 3.059,918 8.042,919 13.636,921 10.484,924 2.542,925 50.833,929 153.024,930 138.215,931 33.571,933 25.145,934 14.96,935 32.22,936 105.996,937 178.169,938 48.531,939 17.65,940 7.841,941 56.857,942 63.849,943 17.82,944 27.424,945 173.473,947 153.024,948 139.567,949 40.105,950 32.22,952 167.984,953 25.145,956 23.857,957 72.663,958 43.047,959 32.22,960 167.984,961 58.716,962 138.215,965 153.024,966 55.866,967 82.349,969 73.676,970 153.024,971 73.676,972 138.215,973 0.575,974 0.322,975 0.172,976 0.078,977 12,978 6,979 0.118,980 4,982 1,983 3.265,984 136.166,986 12,987 80.439,989 1,993 14.423,994 6.447,995 4.002,997 73.676,998 7.776,999 8.473,1003 1.85,1006 364.916,1007 29,1013 11.809,1015 2.896,1017 -0.375,1020 33.422,1021 36.957,1022 0.347,1023 0.683,1024 0.789,1025 0.859,1026 0.871,1027 0.871,1028 4.595,1029 0.842,1030 5.371,1031 2.883,1032 4.043,1033 4.654,1034 2.913,1035 6.107,1036 3.943,1037 5.804,1038 -0.083,1039 6.889,1040 1.917,1041 3.611,1042 4.388,1044 6.862,1045 3.484,1046 7.092,1047 -0.304,1048 8.504,1049 -0.2,1050 5.565,1051 6.801,1052 5.027,1053 9.916,1054 5.39,1055 8.413,1056 -0.347,1057 10.176,1058 -0.673,1059 5.889,1060 7.283,1062 11.492,1063 5.708,1064 9.761,1065 -0.53,1066 11.885,1067 -0.891,1068 7.351,1069 9.197,1070 7.185,1071 14.062,1072 7.131,1073 11.128,1074 -0.849,1075 13.621,1076 -1.246,1077 8.051,1078 10.067,1080 16.007,1081 7.834,1082 12.512,1083 -1,1084 15.378,1085 -2.015,1086 9.294,1087 11.736,1088 9.348,1089 18.389,1090 9.049,1091 2.952,1092 -1.414,1093 17.151,1094 -2.479,1095 10.183,1096 12.817,1098 20.503,1099 9.941,1100 2.768,1101 9.619,1102 18.938,1103 -3.459,1104 11.327,1105 14.354,1106 11.511,1107 22.808,1108 11.066,1109 2.108,1110 7.92,1111 20.735,1112 3.931,1113 12.307,1114 15.553,1116 24.998,1117 12.048,1118 1.966,1119 5.65,1120 22.541,1121 3.811,1122 13.408,1123 17.015,1124 13.675,1125 27.273,1126 13.137,1127 1.879,1128 5.308,1129 24.355,1130 2.818,1131 14.432,1132 18.281,1134 29.499,1135 14.162,1136 1.414,1137 4.963,1138 26.175,1139 2.565,1140 15.513,1141 19.7,1142 15.838,1143 31.763,1144 15.237,1145 1.261,1146 3.171,1147 28,1148 2.481,1149 16.56,1150 21.004,1152 34.006,1153 16.284,1154 3912,1155 7208,1156 13.523,1157 23.62,1158 31.154,1159 34.406,1160 31.671,1161 30.465,1162 30.383,1163 41.305,1164 5.9,1165 82.862,1166 28.763,1167 5.067,1168 6.41,1169 6.07,1170 5.055,1171 4.952,1172 6.931,1173 5.9,1174 16.119,1175 4.938,1176 10.895,1177 1.484,1178 1.638,1179 1.508,1180 1.451,1181 1.447,1182 1.967,1183 0.281,1184 3.946,1185 1.37,1186 3.947,1187 3.97,1188 4.028,1189 3.874,1190 8.201,1191 3.873,1192 3.867,1193 3.909,1194 3.87,1195 3.754,1196 7.428,1197 3.753,1198 3.508,1199 3.529,1200 3.594,1201 3.453,1202 4.955,1203 3.415,1204 3.236,1205 3.33,1206 3.2,1207 3.051,1208 4.626,1209 3.033,1210 3.048,1211 3.09,1212 3.035,1213 2.973,1214 4.208,1215 2.922,1216 2.9,1217 2.959,1218 2.826,1219 2.733,1220 4.099,1221 2.735,1222 2.833,1223 2.908,1224 2.673,1225 2.655,1226 3.822,1227 2.649,1228 2.562,1229 2.639,1230 2.428,1231 2.388,1232 3.598,1233 2.34,1234 0.206,1235 0.21,1236 0.304,1237 0.188,1238 0.141,1239 4.321,1240 0.187,1241 4.41,1242 0.14,1243 6.385,1244 0.458,1245 3.947,1246 0.14,1247 2.952,1248 3.931,1249 2.95,1250 9.619,1251 2.938,1252 1.905,1253 1.886,1254 1.997,1255 1.997,1256 1.071,1257 1.997,1258 1.811,1259 1.77,1260 1.929,1261 1.962,1262 0.997,1263 1.958,1264 1.485,1265 1.465,1266 1.615,1267 1.601,1268 0.678,1269 1.62,1270 1.258,1271 1.168,1272 1.601,1273 1.494,1274 0.672,1275 1.54,1276 0.993,1277 0.964,1278 1.224,1279 1.203,1280 0.266,1281 1.232,1282 0.862,1283 0.805,1284 1.138,1285 1.069,1286 0.193,1287 1.085,1288 0.821,1289 0.744,1290 1.028,1291 1.038,1292 0.106,1293 1.05,1294 0.565,1295 0.493,1296 0.745,1297 0.767,1299 0.802,1300 3.761,1302 5.043,1304 6.512,1306 8.069,1308 9.67,1310 3.764,1312 13.41,1319 1.232,1326 22.489,1327 57.756,1328 113.694,1329 131.346,1330 142.955,1331 144.955,1332 144.955,1333 41.126,1334 6.133,1335 42.85,1336 68.15,1337 12,1338 11.799,1339 3.907,1340 3.17,1341 36.674,1342 70,1343 48,1344 0.261,1345 146.364,1346 255.79,1347 348.887,1348 3277,1349 3,1350 14.535,1351 0.727,1352 0.597,1353 14.018,1354 11.947,1355 9.559,1356 0.455,1357 0.328,1358 6.012,1359 8.767,1360 5.699,1361 4.794,1362 9.602,1363 6.884,1364 8.617,1365 0.308,1366 0.181,1367 8.7,1368 5.071,1369 6.457,1370 0.196,1371 0.096,1372 6.577,1373 3.16,1374 5.482,1375 0.137,1376 0.059,1377 5.783,1378 2.361,1379 3.529,1380 0.086,1381 0.032,1382 3.978,1383 1.329,1384 0.415,1385 64.152,1386 0.272,1387 20.273,1388 0.694,1389 98,1390 371.997,1391 131.493,1392 357.852,1393 471.09,1394 332,1395 110,1396 317.003,1397 135.852,1398 331.865,1399 477.35,1400 310,1401 4.833}
{0 CHEMBL1434250,1 1.766,2 14.625,3 1.375,4 1.892,5 120.698,6 8.52,7 0.353,8 4.068,9 4.179,10 3.768,11 3.626,12 5.305,13 3.609,14 4.543,15 4.693,16 4.128,17 3.962,18 5.816,19 3.927,20 4.765,21 4.926,22 4.225,23 4.069,24 6.06,25 4.03,26 4.816,27 5.008,28 4.159,29 4.025,30 6.214,31 3.964,32 4.712,33 4.88,34 4.064,35 3.982,36 6.045,37 3.928,38 4.784,39 4.989,40 4.092,41 3.947,42 6.09,43 3.886,44 4.65,45 4.834,46 3.945,47 3.837,48 6.033,49 3.785,50 4.557,51 4.76,52 3.86,53 3.803,54 5.853,55 3.724,56 0.116,57 0.81,58 8.889,59 4.525,60 10.788,61 5.151,62 0.406,63 1.251,64 19.622,65 7.429,66 29.029,67 8.973,68 0.52,69 1.456,70 24.48,71 8.89,72 68.142,73 9.819,74 0.842,75 1.471,76 32.732,77 10.307,78 99.405,79 11.644,80 0.555,81 1.306,82 22.311,83 8.953,84 68.746,85 10.215,86 0.667,87 1.353,88 31.257,89 10.046,90 88.06,91 11.739,92 0.718,93 1.225,94 25.392,95 7.82,96 110.302,97 8.578,98 0.524,99 1.128,100 23.618,101 7.999,102 82.875,103 9.289,104 39,105 46,106 0.291,107 0.596,108 0.722,109 0.815,110 0.859,111 0.877,112 3.501,113 0.93,114 -2.85,115 -2.86,116 -2.76,120 41.5,121 1,125 1,126 1,137 1,138 1,143 9,145 3,159 4,160 1,174 6,176 2,177 7,180 3,182 8,185 7,189 1,194 5,197 3,200 4,201 7,204 3,205 1,206 3,209 5,213 2,214 4,217 2,222 5,227 10,230 2,232 2,235 3,239 1,240 11,243 1,245 2,247 1,251 1,252 6,260 2,263 1,264 5,267 4,268 1,271 5,274 1914,275 21.137,276 21.137,277 21.137,278 21.137,279 21.137,280 18.65,281 29.499,282 12.643,283 21.541,284 16.768,285 16.768,286 16.768,287 16.768,288 16.768,289 12.905,290 41.651,291 6.038,292 17.404,293 3.961,294 2.113,295 1.35,296 0.783,297 0.519,298 0.406,299 4.181,306 1,307 1,308 981,309 4.183,313 380.73,320 2.398,321 44.277,324 1,325 0.67,326 1,327 0.6,329 0.83,330 1,331 0.73,332 70.5,333 468,334 4.436,335 4.574,336 6.665,337 4.102,338 3.134,339 3.84,340 3.87,341 10.52,342 3.05,343 4.112,344 3.803,345 5.964,346 3.729,347 2.756,348 3.694,349 1.982,350 8.291,351 2.677,352 3.967,353 3.599,354 5.671,355 3.596,356 2.651,357 3.455,358 1.907,359 7.964,360 2.505,361 3.781,362 3.533,363 5.377,364 3.409,365 2.435,366 3.066,367 1.182,368 6.98,369 2.361,370 3.685,371 3.352,372 5.245,373 3.314,374 2.348,375 2.915,376 1.058,377 6.689,378 2.241,379 3.473,380 2.786,381 4.926,382 3.094,383 2.082,384 2.663,385 0.716,386 5.447,387 2.093,388 3.281,389 2.664,390 4.737,391 2.791,392 1.827,393 2.41,394 0.223,395 5.022,396 1.733,397 3.126,398 2.535,399 4.346,400 2.698,401 1.696,402 2.293,403 0.149,404 4.341,405 1.675,406 2.942,407 2.13,408 4.146,409 2.476,410 1.507,411 2.066,412 0.122,413 3.555,414 1.457,415 2.734,416 1.881,417 3.555,418 2.22,419 1.226,420 1.729,422 2.843,423 1.207,424 2.659,425 1.641,426 3.489,427 2.18,428 1.184,429 1.677,431 2.608,432 1.178,433 2.5,434 1.519,435 3.312,436 2,437 1,438 1.5,440 2.136,441 1,442 1.929,443 1.253,444 3.247,445 1.6,446 0.748,447 0.82,449 1.748,450 0.615,451 1.758,452 1.057,453 2.898,454 1.156,455 0.162,456 0.223,458 0.381,459 0.156,460 1.217,461 1,462 2.803,463 0.871,464 -0.065,465 -0.073,467 -0.17,468 -0.06,469 15.167,470 0.474,471 0.843,472 0.026,473 43.25,474 1.352,475 22.5,476 0.703,477 20.75,478 0.648,479 24.955,480 0.78,481 34.033,482 0.642,483 35.923,484 1.123,485 8.781,486 0.274,487 6.548,488 0.205,489 0.154,491 0.323,496 0.71,497 1.302,498 0.714,499 0.954,500 0.554,501 0.883,502 0.555,503 1.219,504 0.909,505 1.124,506 0.554,507 0.961,508 1.257,509 1.23,510 1.017,511 1.064,512 1.193,513 1.035,514 0.963,515 0.896,516 1.234,517 1.104,518 0.951,519 0.961,520 1.131,521 1.011,522 0.96,523 1.017,524 1.228,525 1.09,526 1.15,527 1.048,528 0.994,529 1.028,530 1.223,531 0.905,532 1.446,533 1.019,534 1.24,535 0.97,536 1.382,537 0.978,538 1.035,539 0.968,540 1.093,541 0.959,542 0.91,543 0.918,544 7,545 0.206,546 3.111,547 2.438,548 1.818,549 1.097,550 0.709,551 0.498,552 0.345,553 0.187,554 15344,555 49848,556 1.993,557 39.6,559 14,560 1,562 3,563 3,567 1.74,568 1.846,569 3.814,570 0.915,572 1,575 93.624,576 1.766,577 3.614,578 4.378,579 4.945,580 5.209,581 5.322,582 3.281,583 4.601,584 4.969,585 4.009,586 1988.55,587 8.667,588 30898.4,590 1,593 303.58,594 1.477,595 4.918,596 0.206,597 0.008,598 0.068,599 0.052,600 0.041,601 0.027,602 0.018,603 0.014,604 0.01,605 0.006,606 0.451,607 0.33,608 0.88,609 0.922,610 172.322,611 -0.086,612 -0.142,613 0.037,614 0.008,615 -0.063,616 0.015,617 0.191,618 -0.098,619 0.055,620 -0.089,621 0.064,622 -0.021,623 -0.219,624 -0.17,625 -0.054,626 -0.082,627 -0.174,628 -0.117,629 0.123,630 0.149,631 -0.059,632 -0.028,633 0.108,634 0.005,635 -0.063,636 -0.018,637 -0.074,638 -0.077,639 -0.107,640 -0.151,641 -0.035,642 -0.099,643 0.126,644 0.017,645 -0.052,646 0.099,647 -0.199,648 0.007,649 -0.164,650 0.025,651 -0.111,652 -0.055,653 -0.063,654 0.036,655 0.001,656 0.086,657 0.038,658 0.076,659 2.224,660 5.596,661 0.563,662 39.801,663 1.018,664 1.124,665 1.617,666 2.615,667 0.69,668 3.555,669 3.85,670 4.043,671 4.248,672 4.394,673 4.394,674 4.419,675 4.477,676 4.466,677 4.489,678 8.468,679 0.667,680 451.55,681 3.555,682 5.081,683 5.9,684 6.756,685 7.589,686 8.45,687 9.29,688 10.153,689 10.998,690 11.863,691 9.4,698 4,700 1,709 9,714 3,716 12,738 53,739 18,740 2,741 34,743 55,744 22,745 12,746 3,747 9,748 5,752 3,753 3,759 1,768 19,769 3,772 6,778 4,780 1,781 1,782 6,786 1,789 21,790 9,791 3,792 10,793 1,797 5,803 1,804 4,823 3,838 3,839 1,846 1,855 3,856 1,857 1,859 2,862 32,869 1,871 3,873 1,875 1,886 7.5,889 4,893 17.333,894 10.067,895 7.111,896 2.833,898 2.752,899 1.374,900 0.965,901 7.953,902 10.118,903 3.85,904 4.369,905 4.804,906 5.272,907 5.7,908 5.751,909 5.915,910 6.166,911 6.18,912 6.38,913 0.9,914 47,915 11.856,917 5.019,918 8.089,919 21.705,921 16.951,924 2.589,925 82.833,929 211.88,930 175.642,931 73.942,933 100.58,935 32.22,936 143.422,937 312.46,938 73.942,939 17.222,940 67.104,941 85.286,942 119.398,943 28.241,944 12.464,945 232.328,947 211.88,948 217.365,949 100.58,950 32.22,952 211.88,953 100.58,956 83.667,957 133.698,959 32.22,960 211.88,961 174.522,962 175.642,965 211.88,966 64.087,967 114.68,968 54.032,969 117.365,970 211.88,971 174.522,972 175.642,973 0.577,974 0.321,975 0.17,976 0.089,977 19,978 10,979 0.127,980 7,982 1,983 4.358,984 269.348,986 18,987 156,989 1,993 23.417,994 10.867,995 6.623,997 174.522,998 15.534,1003 1.658,1005 54.032,1006 562.044,1007 46,1013 48.453,1015 1.206,1016 4.165,1017 -1.391,1020 53.963,1021 59.571,1022 0.308,1023 0.631,1024 0.764,1025 0.863,1026 0.909,1027 0.929,1028 5.075,1029 1.696,1030 5.878,1031 5.022,1032 4.533,1033 5.056,1034 3.887,1035 6.637,1036 4.465,1037 6.27,1038 1.507,1039 7.41,1040 4.341,1041 4.111,1042 4.783,1043 2.747,1044 7.438,1045 4.041,1046 7.56,1047 1.226,1048 9.041,1049 3.555,1050 6.08,1051 7.111,1052 6.134,1053 10.514,1054 5.941,1055 8.877,1056 1.184,1057 10.729,1058 2.843,1059 6.431,1060 7.558,1061 5.297,1062 12.131,1063 6.285,1064 10.221,1065 1,1066 12.455,1067 2.608,1068 7.893,1069 9.41,1070 8.724,1071 14.744,1072 7.691,1073 11.583,1074 0.748,1075 14.208,1076 2.136,1077 8.618,1078 10.209,1079 8.107,1080 16.733,1081 8.401,1082 12.961,1083 0.162,1084 15.983,1085 1.748,1086 9.868,1087 11.843,1088 11.38,1089 19.18,1090 9.609,1091 3.134,1092 -0.065,1093 17.775,1094 0.381,1095 10.784,1096 12.84,1097 10.982,1098 21.349,1099 10.505,1100 2.756,1101 10.52,1102 19.582,1103 -0.17,1104 11.945,1105 14.355,1106 14.05,1107 23.734,1108 11.633,1109 2.651,1110 8.291,1111 21.4,1112 3.84,1113 12.96,1114 15.472,1115 13.842,1116 25.993,1117 12.625,1118 2.435,1119 7.964,1120 23.229,1121 3.694,1122 14.087,1123 16.915,1124 16.725,1125 28.354,1126 13.723,1127 2.348,1128 6.98,1129 25.067,1130 3.455,1131 15.154,1132 18.108,1133 16.678,1134 30.658,1135 14.766,1136 2.082,1137 6.689,1138 26.912,1139 3.066,1140 16.272,1141 19.507,1142 19.402,1143 33.012,1144 15.857,1145 1.827,1146 5.447,1147 28.764,1148 2.915,1149 17.366,1150 20.748,1151 19.491,1152 35.339,1153 16.927,1154 14986,1155 27188,1156 22.076,1157 36.585,1158 50.885,1159 55.451,1160 51.586,1161 49.468,1162 49.512,1163 64.699,1164 22.419,1165 137.049,1166 47.895,1167 5.4,1168 6.574,1169 6.467,1170 5.233,1171 5.134,1172 6.84,1173 7.591,1174 17.897,1175 5.05,1176 18.607,1177 1.497,1178 1.631,1179 1.517,1180 1.455,1181 1.456,1182 1.903,1183 0.659,1184 4.031,1185 1.409,1186 3.963,1187 3.997,1188 4.02,1189 3.863,1190 7.445,1191 3.865,1192 3.914,1193 3.948,1194 3.864,1195 3.824,1196 7.43,1197 3.825,1198 3.823,1199 3.857,1200 3.832,1201 3.699,1202 7.427,1203 3.705,1204 3.569,1205 3.607,1206 3.639,1207 3.411,1208 7.413,1209 3.387,1210 3.48,1211 3.511,1212 3.434,1213 3.287,1214 4.785,1215 3.3,1216 3.344,1217 3.4,1218 3.282,1219 3.09,1220 4.755,1221 3.121,1222 3.068,1223 3.157,1224 3.109,1225 2.856,1226 4.686,1227 2.842,1228 2.968,1229 3.027,1230 2.881,1231 2.819,1232 4.043,1233 2.808,1234 0.13,1235 0.135,1236 0.196,1237 0.121,1238 0.092,1239 4.436,1240 0.113,1241 4.574,1242 0.114,1243 6.665,1244 0.309,1245 4.102,1246 0.09,1247 3.134,1248 3.84,1249 3.87,1250 10.52,1251 3.05,1252 1.899,1253 1.869,1254 2.013,1255 2.018,1256 1.088,1257 2.015,1258 1.893,1259 1.862,1260 2.004,1261 2.01,1262 1.065,1263 2.007,1264 1.746,1265 1.72,1266 1.814,1267 1.918,1268 0.918,1269 1.902,1270 1.474,1271 1.438,1272 1.707,1273 1.73,1274 0.782,1275 1.716,1276 1.412,1277 1.374,1278 1.562,1279 1.617,1280 0.714,1281 1.621,1282 1.256,1283 1.187,1284 1.543,1285 1.533,1286 0.591,1287 1.531,1288 1.021,1289 0.943,1290 1.23,1291 1.297,1292 0.25,1293 1.294,1294 0.922,1295 0.867,1296 1.183,1297 1.16,1298 0.233,1299 1.182,1300 4.234,1302 5.533,1304 7.015,1306 8.582,1308 10.194,1310 2.89,1317 8.02,1319 1.066,1321 1.231,1326 35.368,1327 93.624,1328 191.567,1329 232.031,1330 262.07,1331 276.07,1332 282.07,1333 86.08,1334 7.365,1335 122.19,1336 147.49,1337 18,1338 12.414,1339 4.248,1340 3.7,1341 61.587,1342 163,1343 150,1344 0.181,1345 225.58,1346 407.27,1347 542.176,1348 17206,1350 23.087,1351 0.721,1352 0.57,1353 23.441,1354 18.233,1355 15.329,1356 0.451,1357 0.31,1358 9.494,1359 14.255,1360 9.128,1361 7.633,1362 15.784,1363 10.545,1364 13.883,1365 0.302,1366 0.167,1367 14.434,1368 7.68,1369 10.742,1370 0.192,1371 0.094,1372 11.545,1373 5.245,1374 8.768,1375 0.127,1376 0.05,1377 9.446,1378 3.48,1379 6.45,1380 0.081,1381 0.028,1382 7.104,1383 2.232,1384 0.294,1385 101.128,1386 0.213,1387 30.69,1388 0.467,1389 160,1390 562.091,1391 202.605,1392 559.488,1393 738.11,1394 518,1395 182,1396 506.997,1397 220.51,1398 525.17,1399 757.71,1400 490,1401 4.894}
{0 CHEMBL1437596,1 1.515,2 10.583,3 4.114,4 16.926,5 96.369,6 7.475,7 0.615,8 3.853,9 3.972,10 3.418,11 3.411,12 5.027,13 3.39,14 4.332,15 4.495,16 3.759,17 3.781,18 5.527,19 3.74,20 4.571,21 4.775,22 3.79,23 3.898,24 5.652,25 3.832,26 4.655,27 4.885,28 3.689,29 3.867,30 5.721,31 3.771,32 4.544,33 4.785,34 3.464,35 3.732,36 5.525,37 3.606,38 4.413,39 4.669,40 3.344,41 3.589,42 5.388,43 3.455,44 4.351,45 4.63,46 3.265,47 3.465,48 5.364,49 3.352,50 4.118,51 4.357,52 3.205,53 3.418,54 5.086,55 3.324,56 0.056,57 0.619,58 8.557,59 3.835,60 10.044,61 4.915,62 0.168,63 0.971,64 14.976,65 6.042,66 35.134,67 8.205,68 0.155,69 1.195,70 20.283,71 7.477,72 25.546,73 10.356,74 0.243,75 1.231,76 23.406,77 8.368,78 42.178,79 11.605,80 0.211,81 1.089,82 21.129,83 7.751,84 36.926,85 10.869,86 0.216,87 0.97,88 18.592,89 6.675,90 29.616,91 9.843,92 0.327,93 0.889,94 18.572,95 5.767,96 44.907,97 8.575,98 0.137,99 0.732,100 13.497,101 4.869,102 17.73,103 6.903,104 21,105 36,106 0.262,107 0.613,108 0.747,109 0.828,110 0.836,111 0.836,112 3.228,113 0.898,114 -4.73,115 -4.64,116 -4.36,120 44.2,121 2,128 1,143 8,144 3,145 1,152 1,153 1,156 1,159 1,168 1,170 1,172 1,174 9,175 1,177 7,180 1,182 3,185 10,186 2,189 7,194 5,197 6,198 2,200 1,201 6,206 4,209 7,214 3,217 1,219 1,220 1,222 6,227 3,228 1,230 1,231 1,232 2,235 6,239 1,240 2,243 1,245 3,247 5,252 2,260 7,261 1,264 2,269 1,271 11,272 1,274 794,275 16.052,276 16.052,277 16.052,278 16.052,279 16.052,280 13.876,281 13.696,282 9.479,283 16.234,284 12.817,285 12.817,286 12.817,287 12.817,288 12.817,289 9.492,290 9.151,291 4.453,292 13.111,293 3.911,294 1.881,295 1.105,296 0.64,297 0.593,298 0.593,299 3.908,306 1,307 1,308 540,309 3.464,312 54.508,313 146.28,316 102.02,320 1.618,321 18.558,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 51.5,333 254,334 4.663,335 3.576,336 6.829,337 4.198,338 3.232,339 4.621,340 1.437,341 11.318,342 3.128,343 4.166,344 3.283,345 5.929,346 3.782,347 2.784,348 3.757,350 8.227,351 2.768,352 3.732,353 2.671,354 5.834,355 3.389,356 2.424,357 3.074,359 7.726,360 2.333,361 3.655,362 2.52,363 5.3,364 3.329,365 2.354,366 2.988,368 6.789,369 2.283,370 3.429,371 2.14,372 5.083,373 2.984,374 1.997,375 2.78,377 5.743,378 1.969,379 2.902,380 1.909,381 4.139,382 2.408,383 1.422,384 1.978,386 3.434,387 1.4,388 2.795,389 1.521,390 3.81,391 2.369,392 1.381,393 1.877,395 3.09,396 1.352,397 2.726,398 1.424,399 3.61,400 2.204,401 1.21,402 1.729,404 2.838,405 1.194,406 2.5,407 1.095,408 3.499,409 2,410 1,411 1.5,413 2.385,414 1,415 2.471,416 1,417 3.414,418 1.974,419 1,420 1.401,422 2.275,423 0.97,424 2.018,425 0.686,426 3.217,427 1.639,428 0.662,429 0.864,431 1.597,432 0.645,433 1.368,434 0.481,435 2.666,436 0.945,437 -0.017,438 -0.023,440 -0.042,441 -0.016,442 0.803,443 0.218,444 2.307,445 0.434,446 -0.56,447 -0.697,449 -1.322,450 -0.549,451 0.678,452 -0.503,453 2,454 0.197,455 -0.795,456 -1,458 -2,459 -0.787,460 0.606,461 -0.748,462 2,463 0.118,464 -0.866,465 -1.093,467 -2,468 -0.844,469 11.367,470 0.474,471 0.613,472 0.026,473 32.25,474 1.344,475 17.5,476 0.729,477 14.75,478 0.615,479 17.145,480 0.714,481 25.233,482 0.587,483 22.977,484 0.957,485 6.551,486 0.273,487 5.007,488 0.209,489 0.147,491 0.343,496 0.783,497 1.116,498 0.801,499 0.979,500 0.744,501 0.907,502 0.603,503 1.177,504 0.805,505 0.98,506 0.391,507 0.922,508 0.892,509 1.135,510 0.985,511 1.023,512 0.62,513 1.003,514 0.997,515 1.066,516 1.045,517 1.038,518 0.902,519 1.043,520 0.864,521 1.116,522 1.092,523 1.116,524 0.852,525 1.136,526 0.449,527 1.164,528 0.972,529 1.107,530 0.383,531 1.11,532 0.826,533 0.739,534 0.912,535 0.688,536 0.649,537 0.774,538 0.781,539 0.754,540 0.951,541 0.803,542 0.457,543 0.861,544 4.5,545 0.131,546 2.889,547 1.889,548 1.134,549 0.67,550 0.379,551 0.247,552 0.194,553 0.143,554 6667,555 18456,556 2.04,557 44.2,559 9,560 1,561 1,562 2,564 6,567 1.664,568 1.895,569 3.357,570 0.255,572 1,575 65.153,576 1.515,577 3.546,578 4.321,579 4.787,580 4.833,581 4.833,582 2.736,583 4.054,584 4.557,585 3.562,586 983.002,587 7.837,588 11951.7,590 1,592 1,593 233.329,594 1.459,595 4.507,596 0.173,597 0.008,598 0.08,599 0.052,600 0.037,601 0.028,602 0.018,603 0.012,604 0.01,605 0.008,606 0.426,607 0.17,608 1,609 0.921,610 115.822,611 -0.009,612 0.028,613 0.028,614 0.034,615 -0.097,616 0.031,617 0.146,618 -0.077,619 0.072,620 0.012,621 0.229,622 0.03,623 -0.096,624 -0.065,625 -0.062,626 -0.06,627 0.024,628 -0.051,629 -0.075,630 -0.065,631 -0.074,632 -0.076,633 -0.041,634 -0.076,635 -0.05,636 -0.141,637 -0.124,638 -0.144,639 -0.089,640 -0.149,641 0.175,642 -0.173,643 -0.01,644 -0.144,645 0.08,646 -0.115,647 0.067,648 0.261,649 0.114,650 0.236,651 0.071,652 0.196,653 -0.103,654 0.283,655 -0.006,656 0.166,657 0.028,658 0.12,659 2.605,660 3.841,661 0.625,662 20.75,663 1.001,664 1.122,665 3.496,666 12.222,667 0.675,668 3.296,669 3.611,670 3.871,671 4.111,672 4.304,673 4.331,674 4.317,675 4.304,676 4.29,677 4.407,678 6.457,679 0.644,680 321.41,681 3.296,682 4.828,683 5.673,684 6.547,685 7.415,686 8.295,687 9.172,688 10.056,689 10.937,690 11.824,691 7,696 1,699 1,700 1,708 2,709 9,714 3,715 1,716 16,725 1,738 43,739 18,740 2,741 26,743 45,744 19,745 14,746 4,747 8,748 2,752 3,753 4,755 1,759 2,766 1,768 16,769 3,772 2,778 1,780 1,781 1,782 1,786 1,789 19,790 4,791 2,792 5,797 3,803 0.667,804 2,818 1,822 1,823 2,826 1,853 1,855 2,859 2,862 24,868 1,871 1,874 1,886 4.7,888 1,889 1,893 12.667,894 8.183,895 5.306,896 2.531,898 3.751,899 1.535,900 0.96,901 4.675,902 10.768,903 3.611,904 4.23,905 4.861,906 5.478,907 6.001,908 6.291,909 6.611,910 6.916,911 7.044,912 7.465,913 0.857,914 36,915 8.81,917 3.679,918 7.826,919 16.702,921 13.439,924 2.326,925 55.833,928 1,929 200.109,930 126.31,931 36.45,933 67.828,936 126.31,937 267.937,938 36.45,939 17.65,941 84.857,942 107.445,943 30.263,944 13.915,945 176.567,947 200.109,948 162.76,949 67.828,952 129.482,953 138.455,956 36.213,957 99.612,958 26.936,960 200.109,961 104.279,962 126.31,965 200.109,966 14.755,967 113.454,968 17.888,969 84.491,970 200.109,971 104.279,972 126.31,973 0.581,974 0.338,975 0.179,976 0.099,977 17,978 8,979 0.111,980 5,981 1,982 1.133,983 3.652,984 187.464,985 0.133,986 15,987 104.039,993 16.28,994 6.892,995 3.519,996 2.331,997 102.38,998 16.8,1003 2.03,1004 2.221,1005 60.572,1006 430.697,1007 36,1013 10.841,1015 1.784,1016 4.273,1017 -0.938,1020 43.029,1021 48.235,1022 0.279,1023 0.653,1024 0.796,1025 0.882,1026 0.891,1027 0.891,1028 4.828,1029 1.21,1030 5.659,1031 3.09,1032 4.29,1033 4.916,1034 1.635,1035 6.469,1036 4.245,1037 6.05,1038 1,1039 7.222,1040 2.838,1041 3.892,1042 4.732,1044 7.409,1045 3.814,1046 7.359,1047 1,1048 8.888,1049 2.385,1050 5.878,1051 7.171,1052 2.253,1053 10.504,1054 5.782,1055 8.711,1056 0.662,1057 10.617,1058 2.275,1059 6.312,1060 7.871,1062 12.313,1063 6.178,1064 10.096,1065 -0.017,1066 12.385,1067 1.597,1068 7.779,1069 9.769,1070 2.922,1071 14.938,1072 7.628,1073 11.509,1074 -0.56,1075 14.182,1076 -0.042,1077 8.595,1078 10.899,1080 17.108,1081 8.406,1082 12.943,1083 -0.795,1084 16,1085 -1.322,1086 9.859,1087 12.571,1088 3.619,1089 19.588,1090 9.649,1091 3.232,1092 -0.866,1093 17.833,1094 -2,1095 10.857,1096 13.913,1098 21.909,1099 10.608,1100 2.784,1101 11.318,1102 19.679,1103 -2,1104 12.044,1105 15.492,1106 4.33,1107 24.347,1108 11.77,1109 2.424,1110 8.227,1111 21.536,1112 4.621,1113 13.127,1114 16.933,1116 26.729,1117 12.816,1118 2.354,1119 7.726,1120 23.401,1121 3.757,1122 14.289,1123 18.476,1124 5.047,1125 29.156,1126 13.949,1127 1.997,1128 6.789,1129 25.275,1130 3.074,1131 15.413,1132 19.964,1134 31.563,1135 15.036,1136 1.422,1137 5.743,1138 27.154,1139 2.988,1140 16.57,1141 21.495,1142 5.769,1143 33.988,1144 16.161,1145 1.381,1146 3.434,1147 29.04,1148 2.78,1149 17.714,1150 23.004,1152 36.406,1153 17.269,1154 6534,1155 11023,1156 17.107,1157 29.017,1158 39.653,1159 40.085,1160 40.406,1161 38.973,1162 38.932,1163 53.14,1164 2.873,1165 110.842,1166 38.084,1167 5.379,1168 5.576,1169 6.507,1170 5.225,1171 5.232,1172 7.621,1173 2.873,1174 18.528,1175 5.128,1176 12.816,1177 1.525,1178 1.542,1179 1.554,1180 1.499,1181 1.497,1182 2.044,1183 0.111,1184 4.263,1185 1.465,1186 4.149,1187 4.184,1188 4.112,1189 4.061,1190 7.475,1191 4.069,1192 3.926,1193 3.952,1194 3.875,1195 3.849,1196 6.351,1197 3.851,1198 3.594,1199 3.661,1200 3.455,1201 3.46,1202 4.976,1203 3.45,1204 3.465,1205 3.523,1206 3.394,1207 3.302,1208 4.781,1209 3.305,1210 3.294,1211 3.314,1212 3.222,1213 3.064,1214 4.519,1215 3.105,1216 3.075,1217 3.134,1218 2.959,1219 2.834,1220 4.304,1221 2.849,1222 2.874,1223 3.009,1224 2.744,1225 2.735,1226 3.982,1227 2.715,1228 2.874,1229 2.938,1230 2.687,1231 2.696,1232 3.695,1233 2.708,1234 0.179,1235 0.138,1236 0.263,1237 0.161,1238 0.124,1239 4.663,1240 0.178,1241 3.576,1242 0.055,1243 6.829,1244 0.435,1245 4.198,1246 0.12,1247 3.232,1248 4.621,1249 1.437,1250 11.318,1251 3.128,1252 1.946,1253 1.921,1254 2.045,1255 2.042,1256 1.217,1257 2.044,1258 1.9,1259 1.876,1260 2,1261 2.006,1262 1.09,1263 2.004,1264 1.715,1265 1.658,1266 1.918,1267 1.879,1268 1.077,1269 1.893,1270 1.432,1271 1.374,1272 1.612,1273 1.634,1274 0.683,1275 1.629,1276 1.164,1277 1.147,1278 1.417,1279 1.449,1280 0.469,1281 1.402,1282 0.998,1283 0.937,1284 1.298,1285 1.273,1286 0.314,1287 1.308,1288 0.934,1289 0.821,1290 1.185,1291 1.239,1292 0.242,1293 1.245,1294 0.886,1295 0.804,1296 1.181,1297 1.068,1298 0.218,1299 1.107,1300 3.97,1302 5.283,1303 2.398,1304 6.788,1305 4.844,1306 8.38,1307 7.05,1308 10.019,1310 4.297,1314 8.896,1317 2.93,1320 0.369,1326 27.708,1327 65.153,1328 152.459,1329 185.82,1330 205.82,1331 207.82,1332 207.82,1333 37.157,1334 7.017,1335 66.62,1336 66.62,1337 17,1338 12.357,1339 4.248,1340 3.459,1341 39.556,1342 94,1343 88,1344 0.207,1345 172.874,1346 294.3,1347 413.571,1348 10211,1350 17.104,1351 0.713,1352 0.567,1353 17.104,1354 13.601,1355 11.559,1356 0.445,1357 0.299,1358 7.695,1359 11.176,1360 7.446,1361 6.256,1362 11.559,1363 7.78,1364 10.472,1365 0.291,1366 0.163,1367 10.472,1368 5.855,1369 8.483,1370 0.18,1371 0.082,1372 8.483,1373 3.857,1374 6.915,1375 0.115,1376 0.044,1377 6.915,1378 2.626,1379 5.527,1380 0.076,1381 0.024,1382 5.527,1383 1.771,1384 0.331,1385 71.998,1386 0.242,1387 23.731,1388 0.55,1389 124,1390 353.508,1391 134.284,1392 348.441,1393 476.47,1394 324,1395 145,1396 355.287,1397 154.9,1398 362.159,1399 523.59,1400 340,1401 6.796}
{0 CHEMBL1437979,1 1.583,2 16.735,3 4.2,4 17.637,5 135.665,6 7.41,7 0.459,8 4.262,9 4.37,10 3.863,11 3.791,12 5.306,13 3.752,14 4.82,15 4.996,16 4.182,17 4.151,18 5.814,19 4.092,20 5.001,21 5.193,22 4.27,23 4.268,24 5.983,25 4.198,26 5.066,27 5.263,28 4.215,29 4.335,30 6.019,31 4.207,32 5.126,33 5.371,34 4.086,35 4.315,36 5.996,37 4.148,38 5.014,39 5.25,40 4.019,41 4.199,42 5.901,43 4.042,44 4.94,45 5.187,46 3.977,47 4.09,48 5.864,49 3.944,50 4.867,51 5.113,52 3.911,53 4.005,54 5.805,55 3.882,56 0.005,57 0.919,58 14.434,59 6.47,60 8.365,61 8.123,62 0.356,63 1.497,64 31.405,65 10.7,66 29.96,67 13.426,68 0.507,69 1.733,70 36.606,71 11.806,72 43.149,73 15.464,74 0.413,75 1.815,76 38.558,77 14.356,78 47.989,79 18.361,80 0.48,81 1.891,82 47.394,83 16.132,84 56.397,85 20.648,86 0.568,87 1.693,88 40.472,89 13.825,90 47.3,91 18.163,92 0.456,93 1.52,94 36.473,95 12.864,96 46.672,97 17.023,98 0.382,99 1.434,100 34.42,101 11.052,102 47.745,103 14.432,104 22,105 50,106 0.252,107 0.548,108 0.741,109 0.815,110 0.841,111 0.841,112 3.56,113 1.027,114 -4.17,115 -4.12,116 -3.89,120 40,121 2,125 1,126 7,143 8,144 1,145 3,147 1,153 1,159 1,162 1,174 6,176 2,177 10,185 7,188 1,189 12,197 3,200 1,201 8,209 4,213 1,214 2,222 5,226 4,227 2,235 5,239 3,240 5,247 2,252 6,260 2,263 2,264 6,271 1,274 2230,275 23.325,276 23.325,277 23.325,278 23.325,279 23.325,280 21.189,281 27.495,282 13.887,283 24.155,284 18.157,285 18.157,286 18.157,287 18.157,288 18.157,289 14.79,290 34.527,291 6.422,292 19.287,293 4.439,294 2.585,295 1.37,296 0.908,297 0.743,298 0.743,299 4.256,307 1,308 1224,309 3.674,312 112.488,313 395.434,320 2.618,321 27.973,324 1,325 0.83,326 0.83,327 1,328 1,329 1,330 1,331 0.95,332 73.5,333 569,334 4.406,335 4.339,336 6.323,337 4.008,338 3.033,339 4.106,340 3.579,341 9.677,342 2.957,343 4.176,344 3.643,345 6.19,346 3.878,347 2.934,348 3.726,349 1.876,350 9.227,351 2.768,352 4.002,353 3.146,354 5.993,355 3.683,356 2.725,357 3.577,358 0.86,359 8.477,360 2.601,361 3.938,362 3.093,363 5.839,364 3.594,365 2.623,366 3.109,367 0.86,368 7.988,369 2.551,370 3.603,371 2.882,372 5.311,373 3.266,374 2.335,375 2.925,376 0.8,377 6.834,378 2.172,379 3.571,380 2.749,381 5.283,382 3.249,383 2.303,384 2.796,385 0.603,386 6.708,387 2.163,388 2.953,389 2.573,390 4.438,391 2.677,392 1.747,393 2.022,394 0.097,395 4.454,396 1.621,397 2.806,398 2.312,399 4.316,400 2.453,401 1.522,402 1.9,404 4.04,405 1.4,406 2.704,407 2.165,408 4.184,409 2.298,410 1.352,411 1.767,413 3.612,414 1.272,415 2.662,416 1.672,417 4.07,418 2.267,419 1.302,420 1.703,422 3.412,423 1.247,424 2.5,425 1.623,426 3.483,427 2.043,428 1.085,429 1.5,431 2.533,432 1.032,433 2.368,434 1.359,435 3.414,436 2,437 1.019,438 1.34,440 2.275,441 1,442 2.157,443 1.205,444 3.414,445 1.967,446 1,447 1.129,449 2.275,450 0.965,451 2.065,452 1.172,453 3.269,454 1.951,455 1,456 1,458 1.871,459 0.939,460 2,461 1.146,462 3.154,463 1.649,464 0.771,465 0.927,467 1.769,468 0.652,469 16.367,470 0.481,471 0.691,472 0.02,473 41.25,474 1.213,475 19,476 0.559,477 22.25,478 0.654,479 32.859,480 0.966,481 37.633,482 0.579,483 30.159,484 0.887,485 7.885,486 0.232,487 8.682,488 0.255,489 0.112,491 0.293,496 0.818,497 1.424,498 0.775,499 1.141,500 0.637,501 1.04,502 1.138,503 1.118,504 1.101,505 1.052,506 0.707,507 0.906,508 1.376,509 0.972,510 0.968,511 0.907,512 1.181,513 0.926,514 1.074,515 1.164,516 1.065,517 1.128,518 1.362,519 1.184,520 0.884,521 1.027,522 1.247,523 1.139,524 1.291,525 1.031,526 0.761,527 1.033,528 1.14,529 1.133,530 0.689,531 1.088,532 0.694,533 1.043,534 0.891,535 1.014,536 0.826,537 0.965,538 1.183,539 0.925,540 1.018,541 0.902,542 1.605,543 0.876,544 6.5,545 0.141,546 4,547 1.917,548 1.442,549 1.198,550 0.632,551 0.474,552 0.344,553 0.282,554 20054,555 51120,556 2.077,557 47.7,559 25,563 3,564 3,567 1.753,568 1.962,569 3.989,570 -0.758,575 102.908,576 1.583,577 3.437,578 4.653,579 5.114,580 5.28,581 5.28,582 3.495,583 4.735,584 5.057,585 4.171,586 2340.11,587 8.826,588 39098.9,593 391.454,594 1.333,595 5.026,596 0.176,597 0.005,598 0.08,599 0.038,600 0.032,601 0.029,602 0.017,603 0.013,604 0.01,605 0.009,606 0.409,607 0.33,608 0.88,609 0.903,610 188.431,611 -0.003,612 -0.251,613 0.086,614 -0.091,615 -0.012,616 -0.033,617 -0.029,618 0.007,619 -0.015,620 0.008,621 0.057,622 0.063,623 -0.168,624 0.1,625 -0.008,626 0.049,627 -0.093,628 0.017,629 -0.089,630 -0.137,631 -0.101,632 -0.119,633 -0.163,634 -0.197,635 -0.043,636 -0.024,637 -0.082,638 -0.035,639 -0.108,640 -0.013,641 0.116,642 -0.026,643 -0.059,644 -0.083,645 0.082,646 -0.086,647 0.194,648 -0.088,649 0.131,650 -0.005,651 0.198,652 0.038,653 -0.115,654 0.078,655 0.045,656 0.084,657 -0.104,658 0.089,659 1.497,660 5.74,661 0.676,662 46.08,663 1.001,664 1.124,665 2.942,666 8.656,667 0.664,668 3.638,669 3.932,670 4.19,671 4.394,672 4.585,673 4.644,674 4.745,675 4.779,676 4.868,677 4.875,678 9.383,679 0.623,680 481.67,681 3.638,682 5.165,683 6.004,684 6.862,685 7.716,686 8.578,687 9.437,688 10.302,689 11.164,690 12.03,691 4.6,697 1,698 1,701 1,709 8,710 1,712 1,714 7,716 17,732 1,735 2,738 65,739 18,740 2,741 37,743 68,744 26,745 15,746 4,747 8,752 4,753 4,759 2,768 16,769 10,772 1,778 1,782 1,789 31,790 7,792 8,793 1,797 3,803 1,804 4,808 1,822 1,823 3,839 1,855 4,856 1,857 1,859 3,862 34,869 7,872 2,873 1,875 2,886 6.2,889 1,891 3,893 17.333,894 12.6,895 7.694,896 3.961,898 2.894,899 1.364,900 0.961,901 8.676,902 10.849,903 3.861,904 4.398,905 4.923,906 5.421,907 5.849,908 6.035,909 6.336,910 6.581,911 6.877,912 6.935,913 1,914 51,915 12.597,917 5.195,918 7.623,919 24.402,921 19.574,924 2.123,925 72.167,929 364.904,930 185.737,931 23.034,933 56.652,935 32.22,936 153.517,937 421.556,938 23.034,939 28.533,940 17.939,941 75.81,942 51.655,943 53.817,944 5.449,945 397.124,947 364.904,948 176.552,949 56.652,950 32.22,952 329.591,953 91.965,956 43.366,957 116.4,958 16.786,959 32.22,960 364.904,961 79.686,962 185.737,965 364.904,966 81.394,967 110.592,969 73.438,970 364.904,971 79.686,972 185.737,973 0.57,974 0.338,975 0.176,976 0.094,977 22,978 10,979 0.132,980 9,982 1,983 4.677,984 296.923,986 23,987 164.974,989 1,993 24.802,994 11.894,995 6.434,997 79.686,998 15.781,999 4.653,1001 5.87,1003 5.976,1006 630.327,1007 46.5,1013 12.74,1017 0.17,1020 65.061,1021 73.065,1022 0.263,1023 0.571,1024 0.773,1025 0.849,1026 0.877,1027 0.877,1028 5.089,1029 1.522,1030 5.969,1031 4.454,1032 4.615,1033 5.085,1034 3.612,1035 6.739,1036 4.511,1037 6.26,1038 1.352,1039 7.505,1040 4.04,1041 4.111,1042 4.783,1043 1.738,1044 7.554,1045 3.99,1046 7.545,1047 1.302,1048 9.138,1049 3.612,1050 6.176,1051 7.186,1052 5.842,1053 10.606,1054 5.987,1055 8.864,1056 1.085,1057 10.828,1058 3.412,1059 6.509,1060 7.718,1061 3.591,1062 12.234,1063 6.298,1064 10.215,1065 1.019,1066 12.553,1067 2.533,1068 8.004,1069 9.577,1070 8.338,1071 14.769,1072 7.743,1073 11.587,1074 1,1075 14.301,1076 2.275,1077 8.719,1078 10.497,1079 5.95,1080 16.728,1081 8.43,1082 12.975,1083 1,1084 16.066,1085 2.275,1086 9.975,1087 12.119,1088 10.872,1089 19.077,1090 9.646,1091 3.033,1092 0.771,1093 17.843,1094 1.871,1095 10.875,1096 13.242,1097 8.589,1098 21.183,1099 10.514,1100 2.934,1101 9.677,1102 19.628,1103 1.769,1104 12.026,1105 14.749,1106 13.414,1107 23.461,1108 11.631,1109 2.725,1110 9.227,1111 21.42,1112 4.106,1113 13.017,1114 15.985,1115 11.295,1116 25.636,1117 12.588,1118 2.623,1119 8.477,1120 23.216,1121 3.726,1122 14.124,1123 17.434,1124 15.957,1125 27.889,1126 13.664,1127 2.335,1128 7.988,1129 25.018,1130 3.577,1131 15.16,1132 18.736,1133 13.997,1134 30.098,1135 14.667,1136 2.303,1137 6.834,1138 26.822,1139 3.109,1140 16.251,1141 20.156,1142 18.501,1143 32.342,1144 15.727,1145 1.747,1146 6.708,1147 28.63,1148 2.925,1149 17.311,1150 21.496,1151 16.682,1152 34.569,1153 16.756,1154 19066,1155 30608,1156 24.849,1157 43.142,1158 54.773,1159 59.159,1160 56.311,1161 54.281,1162 54.357,1163 68.011,1164 17.349,1165 151.546,1166 51.414,1167 5.406,1168 6.339,1169 6.093,1170 5.13,1171 5.033,1172 7.106,1173 7.136,1174 16.26,1175 4.957,1176 16.375,1177 1.48,1178 1.599,1179 1.522,1180 1.467,1181 1.469,1182 1.838,1183 0.469,1184 4.096,1185 1.39,1186 4.02,1187 4.043,1188 4.033,1189 3.904,1190 7.427,1191 3.913,1192 3.952,1193 3.987,1194 3.893,1195 3.844,1196 5.14,1197 3.85,1198 3.782,1199 3.813,1200 3.843,1201 3.674,1202 4.871,1203 3.662,1204 3.749,1205 3.784,1206 3.681,1207 3.569,1208 4.805,1209 3.586,1210 3.465,1211 3.531,1212 3.554,1213 3.33,1214 4.424,1215 3.285,1216 3.427,1217 3.466,1218 3.263,1219 3.253,1220 4.316,1221 3.237,1222 3.242,1223 3.308,1224 3.147,1225 2.973,1226 4.224,1227 2.98,1228 3.111,1229 3.206,1230 3.023,1231 2.941,1232 3.929,1233 2.91,1234 0.119,1235 0.117,1236 0.171,1237 0.108,1238 0.082,1239 4.406,1240 0.111,1241 4.339,1242 0.097,1243 6.323,1244 0.262,1245 4.008,1246 0.08,1247 3.033,1248 4.106,1249 3.579,1250 9.677,1251 2.957,1252 1.911,1253 1.879,1254 2.035,1255 2.061,1256 1.299,1257 2.056,1258 1.893,1259 1.875,1260 1.994,1261 1.994,1262 1.088,1263 1.993,1264 1.716,1265 1.667,1266 1.889,1267 1.897,1268 1.043,1269 1.898,1270 1.607,1271 1.572,1272 1.786,1273 1.759,1274 1.007,1275 1.775,1276 1.465,1277 1.399,1278 1.77,1279 1.706,1280 0.926,1281 1.733,1282 1.363,1283 1.325,1284 1.572,1285 1.575,1286 0.825,1287 1.589,1288 1.203,1289 1.158,1290 1.542,1291 1.5,1292 0.779,1293 1.524,1294 1.182,1295 1.116,1296 1.513,1297 1.441,1298 0.581,1299 1.429,1300 4.317,1302 5.617,1303 2.398,1304 7.107,1305 4.727,1306 8.678,1307 6.804,1308 10.29,1310 5.553,1315 4.791,1318 10.814,1319 1.578,1321 4.241,1326 40.486,1327 102.908,1328 223.412,1329 302.434,1330 332.434,1331 343.189,1332 343.189,1333 59.485,1334 7.955,1335 68.04,1336 93.34,1337 23,1338 12.577,1339 4.248,1340 3.392,1341 57.466,1342 195,1343 199,1344 0.141,1345 251.75,1346 439.13,1347 606.03,1348 38000,1350 23.916,1351 0.703,1352 0.611,1353 24.269,1354 20.768,1355 16.567,1356 0.448,1357 0.342,1358 11.423,1359 15.341,1360 10.959,1361 9.071,1362 17.067,1363 12.666,1364 14.322,1365 0.286,1366 0.181,1367 14.788,1368 9.027,1369 12.263,1370 0.189,1371 0.104,1372 12.88,1373 6.749,1374 9.786,1375 0.122,1376 0.06,1377 10.456,1378 4.814,1379 7.624,1380 0.079,1381 0.034,1382 8.212,1383 3.324,1384 0.233,1385 109.379,1386 0.201,1387 32.535,1388 0.356,1389 174,1390 526.738,1391 212.779,1392 513.094,1393 700.29,1394 486,1395 202,1396 498.731,1397 239.712,1398 507.477,1399 741.6,1400 476,1401 4.318}
{0 CHEMBL1438038,1 1.946,2 11.964,3 3.141,4 9.867,5 103.666,6 9.51,7 0.548,8 3.894,9 3.987,10 3.702,11 3.456,12 5.178,13 3.461,14 4.388,15 4.508,16 4.114,17 3.835,18 5.657,19 3.827,20 4.576,21 4.718,22 4.2,23 3.918,24 5.886,25 3.898,26 4.553,27 4.705,28 4.083,29 3.854,30 5.97,31 3.839,32 4.598,33 4.783,34 4.054,35 3.857,36 5.9,37 3.806,38 4.494,39 4.677,40 3.955,41 3.707,42 5.876,43 3.666,44 4.248,45 4.393,46 3.881,47 3.509,48 5.799,49 3.524,50 4.255,51 4.421,52 3.678,53 3.479,54 5.58,55 3.494,56 0.198,57 0.747,58 4.997,59 3.73,60 13.539,61 3.603,62 0.464,63 1.181,64 13.083,65 6.296,66 29.334,67 6.217,68 0.645,69 1.36,70 20.635,71 7.939,72 66.516,73 7.055,74 0.697,75 1.263,76 16.228,77 7.139,78 80.75,79 6.56,80 0.744,81 1.287,82 20.793,83 7.692,84 62.868,85 7.893,86 0.736,87 1.164,88 22.165,89 7.46,90 83.025,91 7.461,92 0.638,93 0.999,94 15.128,95 5.646,96 58.063,97 5.663,98 0.471,99 0.861,100 12.418,101 5.019,102 39.177,103 5.012,104 18,105 44,106 0.336,107 0.645,108 0.747,109 0.821,110 0.837,111 0.837,112 3.375,113 0.887,114 -4.57,115 -4.49,116 -4.23,120 42.9,122 1,125 1,128 1,143 8,145 4,159 2,163 1,167 3,174 4,176 5,177 10,185 5,189 13,197 4,200 1,201 13,209 4,213 5,214 10,222 6,226 6,235 4,239 4,240 9,247 2,252 15,264 6,271 4,274 1232,275 19.024,276 19.024,277 19.024,278 19.024,279 19.024,280 16.755,281 21.636,282 11.006,283 19.598,284 15.204,285 15.204,286 15.204,287 15.204,288 15.204,289 11.713,290 20.815,291 5.122,292 16.103,293 3.446,294 1.655,295 1.066,296 0.637,297 0.542,298 0.542,299 4.068,306 1,307 1,308 727,309 2.646,312 159.454,313 180.061,320 1.755,321 40.864,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 63,333 335,334 4.449,335 4.681,336 6.861,337 4.195,338 3.24,339 4.073,340 3.36,341 11.333,342 3.09,343 4.37,344 3.949,345 6.513,346 3.956,347 3.026,348 3.807,349 1.991,350 10.229,351 2.816,352 3.943,353 3.405,354 5.761,355 3.542,356 2.585,357 3.435,358 1.687,359 7.789,360 2.472,361 3.85,362 3.077,363 5.344,364 3.376,365 2.441,366 3.355,367 0.86,368 6.836,369 2.265,370 3.473,371 2.9,372 5.255,373 3.151,374 2.223,375 2.701,376 0.309,377 6.476,378 2.053,379 3.308,380 2.839,381 4.943,382 2.883,383 1.94,384 2.586,386 5.626,387 1.864,388 3.252,389 2.554,390 4.905,391 2.828,392 1.809,393 2.379,395 5.199,396 1.769,397 2.748,398 2.396,399 4.475,400 2.365,401 1.41,402 1.786,404 3.995,405 1.312,406 2.5,407 1.626,408 3.917,409 2.038,410 1.094,411 1.5,413 2.873,414 1.019,415 2.5,416 1.31,417 3.424,418 2,419 1,420 1.5,422 2.275,423 1,424 2.413,425 1,426 3.414,427 2,428 1,429 1.376,431 2.275,432 1,433 2.345,434 1,435 3.414,436 1.852,437 0.886,438 1.277,440 2.178,441 0.851,442 1.773,443 0.993,444 3.083,445 1.428,446 0.542,447 0.617,449 0.9,450 0.471,451 1.41,452 0.95,453 2.772,454 0.996,455 0.038,456 0.047,458 0.087,459 0.035,460 1.163,461 0.778,462 2.471,463 0.762,464 -0.175,465 -0.223,467 -0.384,468 -0.159,469 13.119,470 0.469,471 0.695,472 0.025,473 38.75,474 1.384,475 20.5,476 0.732,477 18.25,478 0.652,479 20.627,480 0.737,481 29.481,482 0.702,483 29.923,484 1.069,485 7.82,486 0.279,487 5.743,488 0.205,489 0.111,491 0.366,494 1,496 0.589,497 0.965,498 0.615,499 0.923,500 0.508,501 0.849,502 0.715,503 1.052,504 0.847,505 1.06,506 0.604,507 0.911,508 1.172,509 1.141,510 1.178,511 1.212,512 1.153,513 0.99,514 1.098,515 1.056,516 0.974,517 0.982,518 1.047,519 1.023,520 0.781,521 0.763,522 1.102,523 0.956,524 0.904,525 0.992,526 0.867,527 0.832,528 1.258,529 1.091,530 1.017,531 0.969,532 0.673,533 1.017,534 0.873,535 1.133,536 0.772,537 0.923,538 1.088,539 0.983,540 0.789,541 0.936,542 0.94,543 0.986,544 5.5,545 0.111,546 3.556,547 2.417,548 1.464,549 0.987,550 0.811,551 0.516,552 0.304,553 0.173,554 9933,555 35468,556 2.094,557 33.3,559 12,563 2,567 1.71,568 1.953,569 3.509,570 -0.636,571 1,572 1,575 81.751,576 1.946,577 3.737,578 4.327,579 4.755,580 4.851,581 4.851,582 3.053,583 4.45,584 4.775,585 3.648,586 1378.8,587 8.306,588 18023.3,590 1,592 1,593 226.477,594 1.432,595 4.736,596 0.177,597 0.006,598 0.081,599 0.055,600 0.036,601 0.025,602 0.023,603 0.016,604 0.01,605 0.008,606 0.437,607 0.17,608 1,609 0.744,610 140.607,611 0.037,612 0.028,613 0.06,614 -0.013,615 -0.012,616 -0.019,617 0.055,618 -0.08,619 0.069,620 -0.043,621 0.006,622 -0.008,623 -0.205,624 -0.128,625 -0.043,626 -0.085,627 -0.148,628 -0.03,629 -0.16,630 -0.112,631 -0.072,632 -0.039,633 -0.038,634 -0.105,635 0.011,636 0.093,637 -0.044,638 0.043,639 -0.056,640 -0.015,641 0.068,642 0.071,643 -0.052,644 0.001,645 0.007,646 0.034,647 0.381,648 -0.02,649 0.158,650 -0.109,651 0.279,652 0.022,653 -0.184,654 -0.176,655 -0.009,656 -0.105,657 -0.056,658 -0.049,659 2.044,660 5.815,661 0.786,662 26.429,663 1.036,664 1.13,665 3.339,666 11.15,667 0.709,668 3.466,669 3.807,670 4.111,671 4.382,672 4.543,673 4.625,674 4.796,675 4.875,676 4.92,677 4.977,678 6.667,679 0.701,680 399.44,681 3.466,682 5.017,683 5.883,684 6.772,685 7.654,686 8.548,687 9.437,688 10.334,689 11.228,690 12.127,691 11.9,698 1,699 1,701 3,709 8,710 3,714 5,715 1,716 17,735 1,737 1,738 42,739 19,740 2,741 31,743 45,744 18,745 13,746 4,747 8,752 4,753 4,763 2,766 2,768 15,769 3,772 2,778 2,782 2,786 1,787 1,789 14,790 8,792 10,793 1,797 5,800 1,803 1,804 3,822 2,823 2,855 4,856 1,857 1,859 1,861 1,862 28,869 1,872 1,873 1,874 1,875 1,885 1,886 7.1,889 2,891 1,893 14.333,894 8.06,895 6.167,896 2.331,898 3.078,899 1.403,900 0.98,901 5.117,902 10.717,903 3.75,904 4.334,905 4.889,906 5.441,907 5.856,908 6.051,909 6.426,910 6.685,911 6.833,912 7.053,913 1,914 44,915 10.374,917 4.573,918 8.101,919 18.997,921 15.516,924 2.601,925 72.833,928 1,929 164.795,930 151.427,931 54.645,933 61.29,934 14.96,935 32.22,936 119.208,937 226.085,938 69.605,939 10.883,940 5.659,941 75.81,942 109.443,943 33.347,944 14.96,945 197.015,947 164.795,948 173.853,949 76.25,950 32.22,952 179.756,953 61.29,956 8.128,957 115.98,958 49.744,959 32.22,960 179.756,961 115.935,962 151.427,965 164.795,966 64.734,967 91.594,969 125.994,970 164.795,971 130.895,972 151.427,973 0.585,974 0.353,975 0.19,976 0.098,977 22,978 10,979 0.111,980 5,982 1,983 3.96,984 246.857,986 22,987 126.606,989 1,993 18.603,994 7.702,995 3.669,997 129.118,998 12.329,999 11.446,1003 1.633,1004 1.401,1006 447.118,1007 41.5,1013 25.246,1017 -0.637,1020 43.498,1021 47.455,1022 0.361,1023 0.693,1024 0.802,1025 0.882,1026 0.9,1027 0.9,1028 4.992,1029 1.41,1030 5.878,1031 5.199,1032 4.489,1033 5.021,1034 3.592,1035 6.713,1036 4.382,1037 6.197,1038 1.094,1039 7.454,1040 3.995,1041 4.111,1042 4.771,1043 2.221,1044 7.67,1045 3.924,1046 7.503,1047 1,1048 9.13,1049 2.873,1050 6.107,1051 7.158,1052 5.646,1053 10.786,1054 5.889,1055 8.844,1056 1,1057 10.865,1058 2.275,1059 6.567,1060 7.712,1061 4.053,1062 12.6,1063 6.264,1064 10.215,1065 0.886,1066 12.64,1067 2.275,1068 8.026,1069 9.561,1070 7.97,1071 15.239,1072 7.695,1073 11.607,1074 0.542,1075 14.442,1076 2.178,1077 8.862,1078 10.49,1079 6.176,1080 17.403,1081 8.455,1082 13.016,1083 0.038,1084 16.265,1085 0.9,1086 10.12,1087 12.106,1088 10.36,1089 19.887,1090 9.679,1091 3.24,1092 -0.175,1093 18.105,1094 0.087,1095 11.128,1096 13.232,1097 8.592,1098 22.194,1099 10.621,1100 3.026,1101 11.333,1102 19.958,1103 -0.384,1104 12.313,1105 14.734,1106 12.767,1107 24.626,1108 11.766,1109 2.585,1110 10.229,1111 21.822,1112 4.073,1113 13.4,1114 15.968,1115 11.128,1116 26.992,1117 12.794,1118 2.441,1119 7.789,1120 23.695,1121 3.807,1122 14.559,1123 17.412,1124 15.179,1125 29.407,1126 13.91,1127 2.223,1128 6.836,1129 25.574,1130 3.435,1131 15.683,1132 18.708,1133 13.686,1134 31.798,1135 14.98,1136 1.94,1137 6.476,1138 27.46,1139 3.355,1140 16.836,1141 20.123,1142 17.592,1143 34.209,1144 16.089,1145 1.809,1146 5.626,1147 29.35,1148 2.701,1149 17.978,1150 21.456,1151 16.236,1152 36.612,1153 17.179,1154 9477,1155 18083,1156 20.69,1157 29.784,1158 47.183,1159 50.57,1160 48.813,1161 46.575,1162 46.472,1163 60.88,1164 16.415,1165 136.142,1166 44.035,1167 5.386,1168 6.681,1169 6.412,1170 5.375,1171 5.24,1172 7.073,1173 6.686,1174 18.541,1175 5.09,1176 13.833,1177 1.522,1178 1.631,1179 1.575,1180 1.502,1181 1.499,1182 1.964,1183 0.53,1184 4.392,1185 1.42,1186 4.014,1187 4.056,1188 4.114,1189 3.895,1190 8.201,1191 3.899,1192 3.942,1193 3.975,1194 3.902,1195 3.832,1196 7.445,1197 3.84,1198 3.749,1199 3.772,1200 3.793,1201 3.654,1202 7.408,1203 3.634,1204 3.623,1205 3.686,1206 3.604,1207 3.348,1208 5.218,1209 3.396,1210 3.24,1211 3.306,1212 3.198,1213 2.969,1214 4.864,1215 2.979,1216 2.964,1217 2.945,1218 3.031,1219 2.753,1220 4.589,1221 2.751,1222 2.854,1223 2.925,1224 2.86,1225 2.735,1226 4.377,1227 2.715,1228 2.854,1229 2.925,1230 2.792,1231 2.735,1232 3.919,1233 2.715,1234 0.144,1235 0.151,1236 0.221,1237 0.135,1238 0.105,1239 4.449,1240 0.131,1241 4.681,1242 0.108,1243 6.861,1244 0.366,1245 4.195,1246 0.1,1247 3.24,1248 4.073,1249 3.36,1250 11.333,1251 3.09,1252 1.89,1253 1.862,1254 1.984,1255 2.005,1256 1.094,1257 1.999,1258 1.883,1259 1.859,1260 1.982,1261 1.996,1262 1.074,1263 1.991,1264 1.56,1265 1.541,1266 1.694,1267 1.696,1268 1.046,1269 1.717,1270 1.328,1271 1.305,1272 1.574,1273 1.613,1274 0.581,1275 1.577,1276 1.196,1277 1.141,1278 1.33,1279 1.48,1280 0.461,1281 1.458,1282 1.135,1283 1.067,1284 1.204,1285 1.441,1286 0.305,1287 1.392,1288 0.9,1289 0.821,1290 1.181,1291 1.34,1292 0.218,1293 1.238,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.143,1302 5.476,1303 3.045,1304 6.999,1305 5.416,1306 8.603,1307 7.506,1308 10.251,1310 1.541,1312 13.141,1315 0.034,1318 5.098,1319 1.098,1320 -0.653,1321 1.156,1326 29.456,1327 81.751,1328 156.968,1329 181.722,1330 199.722,1331 203.722,1332 203.722,1333 61.226,1334 7.639,1335 90.21,1336 115.51,1337 22,1338 12.651,1339 4.322,1340 3.524,1341 42.473,1342 111,1343 125,1344 0.187,1345 182.874,1346 317.37,1347 437.973,1348 22306,1349 2.4,1350 19.673,1351 0.703,1352 0.552,1353 19.156,1354 15.467,1355 13.563,1356 0.438,1357 0.296,1358 8.182,1359 12.359,1360 7.968,1361 6.557,1362 13.577,1363 9.164,1364 12.209,1365 0.277,1366 0.161,1367 12.229,1368 7.096,1369 10.685,1370 0.178,1371 0.089,1372 11.099,1373 5.314,1374 8.95,1375 0.113,1376 0.049,1377 9.731,1378 3.835,1379 6.784,1380 0.073,1381 0.028,1382 7.524,1383 2.583,1384 0.294,1385 91.042,1386 0.22,1387 26.736,1388 0.514,1389 150,1390 590.404,1391 198.698,1392 554.553,1393 741.53,1394 516,1395 179,1396 529.938,1397 226.01,1398 534.531,1399 781.44,1400 501,1401 4.767}
{0 CHEMBL1438636,1 2.082,2 5.462,3 0.462,4 0.213,5 55.862,6 16.313,8 3.067,9 3.148,10 3.308,11 2.703,12 4.351,13 2.67,14 3.545,15 3.686,16 3.806,17 3.04,18 4.854,19 2.988,20 3.726,21 3.824,22 4.6,23 3.165,24 5.283,25 3.075,26 3.555,27 3.722,28 3.793,29 2.823,30 5.035,31 2.768,32 3.267,33 3.402,34 3.224,35 2.626,36 4.956,37 2.519,38 3.046,39 3.153,40 3.32,41 2.432,42 4.52,43 2.25,44 2.527,45 2.716,46 2.916,47 1.957,48 3.738,49 1.654,50 1.461,51 1.569,52 0.985,53 1.092,54 2.225,55 0.702,56 0.115,57 0.268,58 7.437,59 1.433,60 11.252,61 1.381,62 0.257,63 0.401,64 18.514,65 2.843,66 24.59,67 2.555,68 0.451,69 0.416,70 46.11,71 4.434,72 54.778,73 2.247,74 0.368,75 0.336,76 24.708,77 3.651,78 41.178,79 2.891,80 0.288,81 0.242,82 24.453,83 2.811,84 46.325,85 2.261,86 0.248,87 0.165,88 20.891,89 2.748,90 34.041,91 1.81,92 0.131,93 0.087,94 28.514,95 2.417,96 11.225,97 1.999,98 0.039,99 0.019,100 20.239,101 1.149,102 1.885,103 0.785,104 28,105 18,106 0.46,107 0.734,108 0.837,109 0.86,110 0.86,111 0.86,112 2.667,113 1.157,114 -2.79,115 -2.8,116 -2.72,118 2,120 36.8,121 1,126 1,139 2,155 1,157 1,159 1,167 1,176 1,177 1,188 2,189 4,197 1,200 1,201 4,213 1,214 1,227 1,235 1,240 1,247 1,274 137,275 8.052,276 8.052,277 8.052,278 8.052,279 8.052,280 7.233,281 7.584,282 4.648,283 8.322,284 6.342,285 6.342,286 6.342,287 6.342,288 6.342,289 5.066,290 6.197,291 2.168,292 6.961,293 2.166,294 0.927,295 0.461,296 0.356,297 0.356,298 0.356,299 3.261,307 1,308 135,309 2.449,313 42.914,320 0.959,321 19.287,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 28.5,333 71,334 4.39,335 3.819,336 6.513,337 3.981,338 3.057,339 3.819,340 2.217,341 9.939,342 2.807,343 3.661,344 3.551,345 5.556,346 3.318,347 2.375,348 2.821,349 1.06,350 7.038,351 2.25,352 3.33,353 2.939,354 4.705,355 2.909,356 1.942,357 2.437,358 0.137,359 4.939,360 1.674,361 3.056,362 2.333,363 4.328,364 2.539,365 1.605,366 2.078,368 4.073,369 1.453,370 1.914,371 1.843,372 2.971,373 1.303,374 0.349,375 0.468,377 0.81,378 0.287,379 1.523,380 1.267,381 2.765,382 0.939,383 0.256,384 0.304,386 0.559,387 0.12,388 0.701,389 0.577,390 2.207,391 0.296,392 -0.642,393 -0.696,395 -1.653,396 -0.472,397 0.291,398 -0.046,399 1.536,400 0.09,401 -1,402 -1.27,404 -2,405 -0.755,407 -0.285,408 1.392,409 -0.296,410 -1.186,411 -1.508,413 -2.878,414 -1.067,416 -0.85,417 1.199,418 -0.61,419 -1.38,420 -1.584,422 -3.789,423 -1.113,424 -0.28,425 -1.083,426 1.124,427 -0.801,428 -1.518,429 -2,430 -0.791,431 -4.514,432 -1.486,433 -0.736,434 -1.411,435 1,436 -0.934,437 -1.858,438 -2.161,439 -1.079,440 -5.376,441 -1.763,442 -0.849,443 -1.836,444 0.703,445 -1.035,446 -2,447 -2.708,448 -1.545,449 -7.147,450 -1.936,469 7.633,470 0.587,471 0.48,472 0.037,473 13.75,474 1.058,475 6,476 0.462,477 7.75,478 0.596,479 12.162,480 0.936,481 13.367,482 0.704,483 6.281,484 0.483,485 2.47,486 0.19,487 3.55,488 0.273,489 0.502,491 0.314,496 0.594,497 1.24,498 0.491,499 0.617,500 0.545,501 0.73,502 0.771,503 1.175,504 0.595,505 0.551,506 0.644,507 0.585,508 1.239,509 1.088,510 0.824,511 0.876,512 1.428,513 0.907,514 0.927,515 0.845,516 0.764,517 0.862,518 1.012,519 0.801,520 1.057,521 0.789,522 0.941,523 0.941,524 0.937,525 1.075,526 1.548,527 0.923,528 1.428,529 1.39,530 1.767,531 1.494,532 0.614,533 0.824,534 2.355,535 2.138,536 0.413,537 1.742,538 1.602,539 0.978,540 5.815,541 4.882,542 0.478,543 3.877,544 3.5,546 2,547 1.125,548 0.884,549 0.285,550 0.162,554 835,555 4895,556 1.791,557 31.6,559 2,561 1,563 3,567 1.488,568 1.592,569 2.524,570 -0.523,575 39.549,576 2.082,577 3.321,578 3.787,579 3.892,580 3.892,581 3.892,582 1.988,583 3.239,584 3.672,585 2.587,586 201.794,587 6.099,588 1488.17,590 1,593 80.711,594 1.549,595 3.555,596 0.269,598 0.111,599 0.063,600 0.068,601 0.032,602 0.032,606 0.575,607 0.67,608 1,609 1.384,610 46.871,611 0.004,612 -0.1,613 -0.002,614 -0.03,615 -0.029,616 -0.053,617 -0.03,618 -0.094,619 0.031,620 0.174,621 0.006,622 0.248,623 -0.135,624 -0.076,625 0.168,626 0.078,627 -0.256,628 -0.079,629 0.087,630 0.084,631 0.028,632 0.021,633 0.016,634 0.193,635 -0.014,636 0.102,637 -0.125,638 -0.047,639 0.212,640 -0.12,641 -0.352,642 -0.182,643 -0.221,644 -0.241,645 -0.406,646 -0.436,647 0.235,648 -0.193,649 -0.415,650 -0.527,651 0.216,652 -0.242,653 -0.843,654 -0.514,655 -1.919,656 -2.159,657 -0.207,658 -2.037,659 1.982,660 4.396,661 0.462,662 6.426,663 1.051,664 1.123,665 1.56,666 2.435,667 0.785,668 2.639,669 2.944,670 3.091,671 3.178,672 3.258,673 3.045,674 2.708,675 2.079,676 1.099,678 3.505,679 0.742,680 309.95,681 2.639,682 4.143,683 4.949,684 5.802,685 6.635,686 7.491,687 8.333,688 9.188,689 10.035,690 10.89,691 10.5,698 1,700 1,738 19,739 4,741 13,742 2,743 19,744 7,748 4,749 2,752 1,753 1,755 1,759 1,768 5,769 2,771 2,772 4,778 2,780 1,781 1,782 4,789 6,790 4,792 6,793 2,797 2,803 1,804 2,823 1,836 1,845 2,855 1,858 2,859 1,862 13,869 1,875 1,885 2,886 10.5,889 2,893 8.167,894 3.852,895 2.917,896 0.995,898 0.986,899 1.195,900 0.917,901 3.535,902 6.043,903 2.89,904 3.367,905 3.714,906 3.989,907 4.29,908 4.248,909 4.111,910 3.807,911 3.219,913 0.75,914 18,915 4.763,916 -0.003,917 1.931,918 8.321,919 8.576,920 -0.001,921 6.389,922 -0.002,924 2.821,925 36.667,926 0.003,929 70.627,930 35.927,931 111.573,933 50.29,936 127.835,937 120.916,938 19.665,939 8.825,940 5.107,942 87.057,943 16.663,945 58.856,946 91.908,947 70.627,948 55.591,949 50.29,951 91.908,952 70.627,953 50.29,956 30.596,957 9.838,958 15.158,959 91.908,960 70.627,961 69.955,962 127.835,965 70.627,966 18.054,967 20.874,968 91.908,969 66.953,970 70.627,971 69.955,972 127.835,973 0.59,974 0.328,975 0.154,976 0.082,977 8,978 5,979 0.105,980 2,982 1,983 2.346,984 72.899,986 6,987 48.106,993 10.767,994 4.268,995 2.563,997 69.955,1006 268.416,1007 17,1013 22.131,1015 1.467,1016 3.785,1017 0.537,1020 19.967,1021 21.344,1022 0.49,1023 0.782,1024 0.892,1025 0.916,1026 0.916,1027 0.916,1028 4.127,1029 -1,1030 4.977,1031 -1.653,1032 3.611,1033 4.043,1034 2.419,1035 5.771,1036 3.44,1037 5.347,1038 -1.186,1039 6.555,1040 -2,1041 3.434,1042 4.007,1043 2.036,1044 6.706,1045 3.142,1046 6.662,1047 -1.38,1048 8.235,1049 -2.878,1050 5.198,1051 6.08,1052 3.523,1053 9.755,1054 4.889,1055 8.006,1056 -1.518,1057 9.967,1058 -3.789,1059 5.74,1060 6.77,1061 3.815,1062 11.433,1063 5.286,1064 9.376,1065 -1.858,1066 11.732,1067 -4.514,1068 7.086,1069 8.41,1070 4.918,1071 14.058,1072 6.617,1073 10.766,1074 -2,1075 13.519,1076 -5.376,1077 7.943,1078 9.433,1079 5.494,1080 16.055,1081 7.34,1082 12.171,1084 15.324,1085 -7.147,1086 9.14,1087 10.907,1088 6.432,1089 18.51,1090 8.499,1091 3.057,1093 17.142,1095 10.139,1096 12.092,1097 7.128,1098 20.659,1099 9.379,1100 2.375,1101 9.939,1102 18.97,1104 11.282,1105 13.495,1106 7.992,1107 23.034,1108 10.462,1109 1.942,1110 7.038,1111 20.806,1112 3.819,1113 12.345,1114 14.759,1115 8.741,1116 25.256,1117 11.418,1118 1.605,1119 4.939,1120 22.648,1121 2.821,1122 13.468,1123 16.129,1124 9.569,1125 27.593,1126 12.469,1127 0.349,1128 4.073,1129 24.496,1130 2.437,1131 14.56,1132 17.431,1133 10.343,1134 29.851,1135 13.462,1136 0.256,1137 0.81,1138 26.349,1139 2.078,1140 15.677,1141 18.785,1142 11.155,1143 32.168,1144 14.5,1145 -0.642,1146 0.559,1147 28.205,1148 0.468,1149 16.781,1150 20.107,1151 11.94,1152 34.445,1153 15.512,1154 979,1155 2437,1156 7.573,1157 14.909,1158 20.055,1159 21.519,1160 20.456,1161 19.18,1162 19.169,1163 23.855,1164 6.83,1165 54.715,1166 17.181,1167 5.239,1168 5.655,1169 5.81,1170 5.016,1171 5.057,1172 6.528,1173 3.762,1174 17.085,1175 4.743,1176 8.537,1177 1.543,1178 1.655,1179 1.574,1180 1.475,1181 1.475,1182 1.835,1183 0.525,1184 4.209,1185 1.322,1186 3.855,1187 3.888,1188 6.934,1189 3.752,1190 7.432,1191 3.731,1192 3.553,1193 3.58,1194 6.823,1195 3.407,1196 7.423,1197 3.404,1198 2.99,1199 3.058,1200 3.692,1201 2.792,1202 4.732,1203 2.786,1204 2.925,1205 2.96,1206 3.363,1207 2.742,1208 4.013,1209 2.72,1210 2.565,1211 2.604,1212 2.853,1213 2.35,1214 3.804,1215 2.312,1216 2.182,1217 2.205,1218 2.561,1219 2.042,1220 3.452,1221 1.774,1222 1.707,1223 1.653,1224 2.147,1225 1.712,1226 3.15,1227 1.733,1228 1.467,1229 1.571,1230 1.869,1231 1.075,1232 2.445,1233 1.026,1234 0.338,1235 0.294,1236 0.501,1237 0.306,1238 0.235,1239 4.39,1240 0.294,1241 3.819,1242 0.171,1243 6.513,1244 0.765,1245 3.981,1246 0.216,1247 3.057,1248 3.819,1249 2.217,1250 9.939,1251 2.807,1252 1.737,1253 1.713,1254 1.832,1255 1.935,1256 0.971,1257 1.908,1258 1.501,1259 1.469,1260 1.607,1261 1.679,1262 0.742,1263 1.684,1264 0.949,1265 0.864,1266 1.29,1267 1.2,1268 0.483,1269 1.249,1270 0.799,1271 0.763,1272 0.892,1273 1.069,1275 1.026,1276 0.411,1277 0.381,1278 0.282,1279 0.662,1281 0.636,1284 0.205,1285 0.443,1287 0.388,1300 3.296,1302 4.595,1304 6.089,1306 7.679,1308 9.32,1309 6.227,1310 1.407,1315 0.005,1321 1.108,1326 14.103,1327 39.549,1328 63.101,1329 71.956,1330 73.956,1331 73.956,1332 73.956,1333 27.943,1334 5.056,1335 51.96,1336 51.96,1337 6,1338 11.445,1339 2.322,1340 2.322,1341 24.72,1342 27,1343 23,1344 0.501,1345 104.223,1346 184.88,1347 246.063,1348 621,1349 10.5,1350 10.008,1351 0.77,1352 0.763,1353 12.008,1354 9.923,1355 6.02,1356 0.463,1357 0.386,1358 3.456,1359 4.736,1360 3.24,1361 2.681,1362 7.174,1363 5.012,1364 5.662,1365 0.315,1366 0.229,1367 7.071,1368 4.119,1369 4.237,1370 0.202,1371 0.153,1372 6.48,1373 3.214,1374 2.888,1375 0.126,1376 0.058,1377 3.797,1378 1.337,1379 2.07,1380 0.083,1381 0.032,1382 2.712,1383 0.808,1384 0.726,1385 55.045,1386 0.363,1387 12.941,1388 1.538,1389 62,1390 270.07,1391 202.195,1392 327.062,1393 401.54,1394 298,1395 70,1396 223.554,1397 188.073,1398 248.231,1399 358.54,1400 230,1401 4.905}
{0 CHEMBL1438842,1 1.612,2 12.042,3 2.87,4 8.239,5 94.967,6 7.532,7 0.423,8 3.918,9 4.025,10 3.542,11 3.475,12 4.954,13 3.425,14 4.443,15 4.613,16 3.801,17 3.777,18 5.47,19 3.69,20 4.57,21 4.771,22 3.854,23 3.781,24 5.597,25 3.709,26 4.533,27 4.722,28 3.803,29 3.815,30 5.531,31 3.706,32 4.533,33 4.74,34 3.642,35 3.805,36 5.508,37 3.653,38 4.479,39 4.704,40 3.554,41 3.728,42 5.425,43 3.556,44 4.421,45 4.663,46 3.514,47 3.597,48 5.378,49 3.449,50 4.32,51 4.555,52 3.353,53 3.458,54 5.259,55 3.351,56 0.017,57 0.648,58 10.272,59 4.75,60 5.628,61 5.835,62 0.221,63 1.013,64 22.636,65 8.12,66 23.082,67 9.82,68 0.41,69 1.082,70 25.719,71 7.612,72 40.924,73 9.679,74 0.268,75 1.064,76 24.274,77 8.511,78 28.671,79 10.346,80 0.292,81 1.071,82 26.297,83 9.033,84 38.187,85 10.851,86 0.37,87 0.998,88 24.744,89 9.022,90 32.626,91 11.337,92 0.272,93 0.915,94 22.245,95 7.887,96 29.972,97 10.267,98 0.257,99 0.819,100 20.105,101 6.31,102 30.037,103 8.081,104 12,105 35,106 0.28,107 0.62,108 0.801,109 0.831,110 0.831,111 0.831,112 3.227,113 1.082,114 -3.66,115 -3.63,116 -3.46,120 39.1,121 2,122 2,126 3,128 1,143 4,144 1,145 1,147 1,153 1,159 1,162 1,174 5,176 1,177 6,180 1,182 2,185 4,189 9,194 1,197 2,201 8,209 4,222 7,226 3,230 1,235 5,239 1,240 1,243 1,245 1,247 2,252 6,257 1,264 5,269 2,271 2,274 886,275 16.317,276 16.317,277 16.317,278 16.317,279 16.317,280 14.855,281 16.965,282 9.817,283 16.798,284 12.814,285 12.814,286 12.814,287 12.814,288 12.814,289 10.519,290 19.387,291 4.617,292 13.493,293 3.911,294 1.945,295 0.902,296 0.728,297 0.728,298 0.728,299 3.898,305 1,306 1,307 1,308 616,309 3.464,310 54.201,312 76.076,313 87.371,320 2.132,321 21.904,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 52,333 289,334 4.406,335 4.33,336 6.323,337 4.008,338 3.033,339 4.106,340 3.578,341 9.677,342 2.957,343 4.001,344 3.537,345 5.84,346 3.703,347 2.729,348 3.577,349 1.844,350 7.991,351 2.652,352 3.82,353 3.091,354 5.594,355 3.596,356 2.625,357 2.944,358 0.86,359 7.699,360 2.552,361 3.603,362 2.881,363 5.311,364 3.255,365 2.31,366 2.918,367 0.293,368 6.834,369 2.175,370 3.395,371 2.681,372 4.871,373 3.167,374 2.172,375 2.444,377 5.653,378 2.146,379 2.803,380 2.551,381 4.313,382 2.446,383 1.52,384 1.896,386 4.032,387 1.393,388 2.687,389 2.212,390 4.171,391 2.285,392 1.342,393 1.743,395 3.579,396 1.258,397 2.5,398 1.623,399 3.414,400 2,401 1.029,402 1.5,404 2.275,405 1,406 2.168,407 1.359,408 3.386,409 1.953,410 1,411 1.138,413 2.206,414 0.94,415 2.126,416 1.205,417 3.157,418 1.768,419 0.926,420 1.064,422 1.809,423 0.756,424 1.321,425 1,426 2.889,427 1.164,428 0.214,429 0.225,431 0.53,432 0.2,433 1.114,434 0.787,435 2.491,436 0.809,437 -0.138,438 -0.161,440 -0.255,441 -0.129,442 1.049,443 0.085,444 2.311,445 0.72,446 -0.222,447 -0.261,449 -0.518,450 -0.201,451 0.525,452 0.015,453 2,454 0.272,455 -0.69,456 -0.785,458 -1.446,459 -0.652,460 0.5,461 -0.189,462 2,463 0.122,464 -0.83,465 -0.962,467 -1.764,468 -0.778,469 11.633,470 0.485,471 0.52,472 0.022,473 27.25,474 1.135,475 12,476 0.5,477 15.25,478 0.635,479 21.55,480 0.898,481 26.767,482 0.582,483 16.848,484 0.702,485 4.769,486 0.199,487 6.883,488 0.287,489 0.115,491 0.301,496 0.796,497 1.264,498 0.77,499 1.053,500 0.623,501 1.001,502 0.907,503 1.277,504 1.161,505 1.265,506 0.614,507 1.064,508 1.568,509 0.896,510 0.92,511 0.812,512 1.367,513 0.806,514 1.239,515 1.079,516 1.06,517 1.06,518 1.151,519 1.041,520 1.193,521 1.028,522 1.358,523 1.147,524 1.622,525 1.093,526 0.457,527 1.028,528 1.149,529 1.201,530 0.493,531 1.117,532 0.525,533 1.092,534 0.878,535 1.064,536 0.616,537 0.99,538 1.313,539 0.94,540 1.028,541 0.889,542 1.328,543 0.878,544 5,545 0.058,546 2.5,547 1.319,548 1.047,549 0.758,550 0.324,551 0.278,552 0.212,553 0.155,554 7268,555 18395,556 2.064,557 47.8,559 11,562 1,563 3,564 7,567 1.663,568 1.946,569 3.543,570 -0.301,571 1,572 1,575 74.163,576 1.612,577 3.578,578 4.621,579 4.795,580 4.795,581 4.795,582 3.094,583 4.252,584 4.548,585 3.722,586 1027.32,587 7.826,588 12763.9,590 1,592 1,593 254.084,594 1.347,595 4.522,596 0.192,597 0.004,598 0.078,599 0.043,600 0.036,601 0.03,602 0.014,603 0.013,604 0.011,605 0.008,606 0.429,607 0.33,608 1,609 0.948,610 117.289,611 -0.025,612 -0.103,613 0.074,614 -0.013,615 -0.027,616 0.007,617 0.09,618 -0.188,619 -0.048,620 -0.157,621 0.122,622 -0.069,623 -0.204,624 0.128,625 0.082,626 0.137,627 -0.144,628 0.121,629 -0.139,630 -0.041,631 -0.027,632 -0.029,633 -0.116,634 -0.068,635 -0.202,636 0.018,637 -0.199,638 -0.035,639 -0.244,640 -0.096,641 0.291,642 -0.03,643 -0.05,644 -0.103,645 0.17,646 -0.09,647 0.276,648 -0.131,649 0.126,650 -0.06,651 0.224,652 0.013,653 -0.168,654 0.051,655 -0.039,656 0.048,657 -0.15,658 0.065,659 1.56,660 4.693,661 0.583,662 26.479,663 1.002,664 1.124,665 2.431,666 5.908,667 0.666,668 3.296,669 3.584,670 3.738,671 3.932,672 4.06,673 4.094,674 4.159,675 4.22,676 4.317,677 4.248,678 6.956,679 0.623,680 346.49,681 3.296,682 4.812,683 5.638,684 6.494,685 7.338,686 8.198,687 9.05,688 9.912,689 10.769,690 11.633,691 4.3,698 1,701 1,709 4,710 1,712 1,714 5,716 11,735 1,738 46,739 12,740 1,741 26,743 48,744 18,745 9,746 2,747 4,752 3,753 3,759 2,763 3,766 3,768 10,769 8,772 1,778 1,782 1,785 1,786 1,789 22,790 5,791 1,792 6,793 1,797 2,803 1,804 3,808 1,820 1,822 1,823 1,838 1,855 3,856 1,857 1,859 2,862 24,869 5,871 1,872 1,873 1,874 1,886 6.5,889 1,891 2,893 12.333,894 8.783,895 5.389,896 2.926,898 2.074,899 1.307,900 0.953,901 5.85,902 8.823,903 3.512,904 4.039,905 4.501,906 5.02,907 5.421,908 5.675,909 6.007,910 6.32,911 6.643,912 6.647,913 1,914 31,915 8.895,917 3.692,918 7.674,919 17.234,921 13.971,924 2.174,925 52.167,928 1,929 247.193,930 125.595,931 34.796,933 45.652,935 32.22,936 93.375,937 292.845,938 34.796,939 17.65,940 29.472,941 37.905,942 51.655,943 31.693,944 5.449,945 279.413,947 247.193,948 128.172,949 45.652,950 32.22,952 164.795,953 128.05,956 54.899,957 56.487,958 16.786,959 32.22,960 247.193,961 80.448,962 125.595,965 247.193,966 70.04,967 55.555,968 18.011,969 62.438,970 247.193,971 80.448,972 125.595,973 0.57,974 0.305,975 0.159,976 0.082,977 16,978 7,979 0.167,980 8,982 1,983 3.844,984 179.264,986 14,987 104.039,989 1,993 17.371,994 8.082,995 5.276,997 80.448,998 7.705,999 4.566,1001 5.767,1003 4.053,1005 18.011,1006 453.237,1007 32.5,1013 11.693,1017 0.107,1020 46.098,1021 51.697,1022 0.292,1023 0.648,1024 0.837,1025 0.868,1026 0.868,1027 0.868,1028 4.734,1029 1.029,1030 5.602,1031 3.579,1032 4.263,1033 4.723,1034 3.525,1035 6.354,1036 4.178,1037 5.919,1038 1,1039 7.128,1040 2.275,1041 3.892,1042 4.527,1043 1.593,1044 7.195,1045 3.839,1046 7.209,1047 0.926,1048 8.751,1049 2.206,1050 5.826,1051 6.825,1052 5.834,1053 10.178,1054 5.683,1055 8.53,1056 0.214,1057 10.428,1058 1.809,1059 6.217,1060 7.421,1061 3.522,1062 11.793,1063 6.097,1064 9.881,1065 -0.138,1066 12.139,1067 0.53,1068 7.649,1069 9.227,1070 8.336,1071 14.303,1072 7.46,1073 11.252,1074 -0.222,1075 13.871,1076 -0.255,1077 8.385,1078 10.202,1079 5.91,1080 16.249,1081 8.202,1082 12.638,1083 -0.69,1084 15.62,1085 -0.518,1086 9.611,1087 11.795,1088 10.871,1089 18.591,1090 9.379,1091 3.033,1092 -0.83,1093 17.382,1094 -1.446,1095 10.517,1096 12.967,1097 8.564,1098 20.693,1099 10.276,1100 2.729,1101 9.677,1102 19.153,1103 -1.764,1104 11.653,1105 14.46,1106 13.413,1107 22.974,1108 11.376,1109 2.625,1110 7.991,1111 20.932,1112 4.106,1113 12.645,1114 15.737,1115 11.274,1116 25.154,1117 12.352,1118 2.31,1119 7.699,1120 22.718,1121 3.577,1122 13.746,1123 17.182,1124 15.957,1125 27.416,1126 13.423,1127 2.172,1128 6.834,1129 24.51,1130 2.944,1131 14.783,1132 18.517,1133 13.977,1134 29.635,1135 14.439,1136 1.52,1137 5.653,1138 26.306,1139 2.918,1140 15.871,1141 19.94,1142 18.5,1143 31.893,1144 15.501,1145 1.342,1146 4.032,1147 28.108,1148 2.444,1149 16.933,1150 21.306,1151 16.662,1152 34.134,1153 16.539,1154 7034,1155 11326,1156 17.394,1157 30.637,1158 38.16,1159 42.643,1160 39.303,1161 37.701,1162 37.798,1163 47.111,1164 13.15,1165 104.57,1166 36.058,1167 5.38,1168 6.33,1169 6.093,1170 5.133,1171 5.033,1172 7.106,1173 7.135,1174 16.259,1175 4.957,1176 11.052,1177 1.468,1178 1.64,1179 1.512,1180 1.45,1181 1.454,1182 1.812,1183 0.506,1184 4.022,1185 1.387,1186 4.011,1187 4.028,1188 4.028,1189 3.897,1190 7.429,1191 3.906,1192 3.898,1193 3.953,1194 3.858,1195 3.767,1196 5.14,1197 3.76,1198 3.772,1199 3.794,1200 3.751,1201 3.656,1202 4.806,1203 3.652,1204 3.494,1205 3.537,1206 3.616,1207 3.377,1208 4.353,1209 3.334,1210 3.448,1211 3.502,1212 3.264,1213 3.254,1214 4.315,1215 3.242,1216 3.071,1217 3.161,1218 3.12,1219 2.887,1220 3.93,1221 2.867,1222 3.021,1223 3.064,1224 2.851,1225 2.864,1226 3.804,1227 2.849,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.169,1235 0.167,1236 0.243,1237 0.154,1238 0.117,1239 4.406,1240 0.158,1241 4.33,1242 0.138,1243 6.323,1244 0.372,1245 4.008,1246 0.114,1247 3.033,1248 4.106,1249 3.578,1250 9.677,1251 2.957,1252 1.893,1253 1.875,1254 1.994,1255 1.994,1256 1.088,1257 1.993,1258 1.631,1259 1.605,1260 1.786,1261 1.785,1262 1.031,1263 1.797,1264 1.477,1265 1.436,1266 1.773,1267 1.722,1268 0.926,1269 1.733,1270 1.463,1271 1.395,1272 1.646,1273 1.701,1274 0.854,1275 1.701,1276 1.233,1277 1.188,1278 1.513,1279 1.472,1280 0.825,1281 1.476,1282 1.153,1283 1.064,1284 1.458,1285 1.376,1286 0.732,1287 1.429,1288 1.09,1289 1.033,1290 1.337,1291 1.299,1292 0.561,1293 1.319,1294 0.929,1295 0.859,1296 1.181,1297 1.174,1298 0.236,1299 1.193,1300 3.97,1301 1.946,1302 5.263,1303 3.932,1304 6.732,1305 5.82,1306 8.28,1307 7.656,1308 9.87,1310 3.867,1315 4.007,1317 2.986,1318 5.441,1319 1.561,1320 0.415,1326 28.642,1327 74.163,1328 164.597,1329 212.574,1330 220.574,1331 220.574,1332 220.574,1333 39.655,1334 6.749,1335 64.36,1336 89.66,1337 14,1338 12.182,1339 3.7,1340 2.907,1341 39.552,1342 99,1343 103,1344 0.193,1345 180.396,1346 312.12,1347 431.927,1348 7248,1350 16.941,1351 0.706,1352 0.617,1353 17.295,1354 14.819,1355 11.652,1356 0.448,1357 0.361,1358 8.214,1359 10.717,1360 7.858,1361 6.506,1362 12.152,1363 9.375,1364 10.253,1365 0.293,1366 0.194,1367 10.719,1368 6.799,1369 7.756,1370 0.189,1371 0.107,1372 8.391,1373 4.375,1374 6.182,1375 0.124,1376 0.061,1377 6.807,1378 3.032,1379 4.572,1380 0.08,1381 0.035,1382 5.125,1383 2.014,1384 0.312,1385 78.032,1386 0.24,1387 24.187,1388 0.504,1389 122,1390 372.045,1391 155.125,1392 368.753,1393 499.19,1394 348,1395 140,1396 350.524,1397 171.002,1398 357.244,1399 522.58,1400 336,1401 6.618}
{0 CHEMBL1440058,1 1.692,2 11.5,3 4.335,4 18.791,5 106.98,6 8.951,7 0.548,8 3.914,9 4.007,10 3.637,11 3.497,12 5.13,13 3.501,14 4.396,15 4.518,16 4.028,17 3.872,18 5.633,19 3.864,20 4.591,21 4.743,22 4.054,23 3.969,24 5.825,25 3.942,26 4.613,27 4.771,28 4.03,29 3.961,30 5.947,31 3.921,32 4.657,33 4.84,34 3.99,35 3.952,36 5.881,37 3.898,38 4.593,39 4.781,40 4.033,41 3.819,42 5.941,43 3.785,44 4.381,45 4.566,46 3.689,47 3.607,48 5.632,49 3.587,50 4.283,51 4.443,52 3.609,53 3.603,54 5.525,55 3.565,56 0.085,57 0.616,58 5.99,59 3.549,60 6.108,61 3.916,62 0.345,63 0.983,64 12.15,65 5.872,66 17.777,67 6.61,68 0.407,69 1.143,70 19.142,71 7.455,72 33.276,73 8.235,74 0.475,75 1.15,76 19.221,77 7.974,78 57.519,79 9.163,80 0.493,81 1.207,82 21.577,83 8.505,84 49.543,85 10.051,86 0.566,87 1.087,88 22.688,89 8.032,90 63.742,91 9.467,92 0.407,93 0.898,94 17.399,95 6.107,96 45.147,97 6.627,98 0.353,99 0.816,100 14.248,101 5.536,102 35.954,103 5.801,104 18,105 44,106 0.288,107 0.601,108 0.757,109 0.87,110 0.881,111 0.881,112 3.375,113 0.86,114 -3.95,115 -3.9,116 -3.7,120 47.7,125 1,136 1,139 1,143 10,145 4,152 1,153 1,159 1,160 1,174 5,176 2,177 9,180 2,182 1,185 8,189 7,192 1,197 5,200 1,201 7,204 1,206 3,209 7,213 3,214 4,219 2,222 8,226 1,227 7,232 4,235 1,240 10,245 2,247 4,252 7,260 3,264 4,267 1,271 7,274 1192,275 19.024,276 19.024,277 19.024,278 19.024,279 19.024,280 16.586,281 24.585,282 11.042,283 19.559,284 15.221,285 15.221,286 15.221,287 15.221,288 15.221,289 11.434,290 27.843,291 5.142,292 16.036,293 3.767,294 1.932,295 1.017,296 0.352,297 0.29,298 0.29,299 4.068,303 1,306 1,307 1,308 698,309 2.646,312 157.083,313 179.538,320 1.75,321 29.654,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 60.833,333 322,334 4.511,335 3.967,336 6.863,337 4.203,338 3.243,339 4.119,340 1.725,341 11.347,342 3.105,343 4.374,344 3.27,345 6.514,346 3.973,347 3.028,348 3.864,349 1.058,350 10.231,351 2.861,352 3.989,353 3.136,354 5.776,355 3.537,356 2.58,357 3.538,358 0.86,359 7.861,360 2.464,361 3.876,362 2.969,363 5.391,364 3.431,365 2.484,366 3.39,367 0.214,368 6.981,369 2.345,370 3.527,371 2.796,372 5.2,373 3.093,374 2.153,375 2.786,377 6.318,378 2.009,379 3.316,380 2.457,381 5.061,382 2.899,383 1.939,384 2.586,386 5.752,387 1.859,388 3.205,389 2.216,390 4.784,391 2.761,392 1.778,393 2.363,395 4.992,396 1.665,397 2.888,398 1.906,399 4.409,400 2.377,401 1.401,402 1.938,404 3.873,405 1.337,406 2.655,407 1.363,408 3.933,409 2.17,410 1.189,411 1.717,413 2.901,414 1.146,415 2.5,416 1.23,417 3.482,418 2.009,419 1.032,420 1.5,422 2.529,423 1.004,424 2.455,425 1.14,426 3.428,427 2,428 1,429 1.398,431 2.275,432 1,433 2.366,434 1,435 3.414,436 1.885,437 0.935,438 1.308,440 2.212,441 0.884,442 1.641,443 0.919,444 3.023,445 1.331,446 0.457,447 0.527,449 0.714,450 0.396,451 1.545,452 0.802,453 2.758,454 1.058,455 0.035,456 0.05,458 0.095,459 0.036,460 1.176,461 0.363,462 2.612,463 0.736,464 -0.278,465 -0.369,467 -0.665,468 -0.25,469 13.414,470 0.479,471 0.695,472 0.025,473 40.25,474 1.438,475 21.5,476 0.768,477 18.75,478 0.67,479 19.26,480 0.688,481 28.586,482 0.65,483 31.453,484 1.123,485 8.329,486 0.297,487 5.234,488 0.187,489 0.14,491 0.358,496 0.722,497 1.305,498 0.564,499 0.937,500 0.554,501 0.823,502 0.768,503 1.124,504 0.672,505 0.861,506 0.587,507 0.847,508 1.097,509 1.035,510 1.012,511 0.972,512 0.96,513 0.954,514 0.892,515 1.073,516 0.88,517 1.047,518 0.9,519 1.038,520 0.934,521 1.012,522 0.884,523 0.969,524 1.256,525 0.998,526 0.867,527 1.082,528 0.78,529 1.037,530 1.1,531 0.942,532 1.422,533 0.941,534 0.925,535 0.848,536 1.406,537 0.853,538 1.393,539 0.979,540 1.05,541 0.935,542 1.329,543 1.005,544 5.5,545 0.14,546 3.333,547 2.542,548 1.384,549 1.018,550 0.76,551 0.381,552 0.312,553 0.172,554 9837,555 31437,556 2.094,557 36.4,559 14,560 1,562 1,567 1.711,568 1.953,569 3.47,570 -0.323,572 1,575 74.467,576 1.692,577 3.528,578 4.443,579 5.107,580 5.17,581 5.17,582 2.942,583 4.522,584 4.777,585 3.622,586 1368.99,587 8.309,588 17865.4,590 1,592 1,593 240.215,594 1.432,595 4.736,596 0.177,597 0.007,598 0.076,599 0.058,600 0.033,601 0.025,602 0.021,603 0.013,604 0.011,605 0.007,606 0.428,607 0.33,608 1,609 0.744,610 140.377,611 -0.058,612 -0.214,613 0.024,614 -0.075,615 -0.07,616 -0.013,617 0.09,618 -0.039,619 0.033,620 0.021,621 0.028,622 -0.005,623 -0.143,624 0.008,625 -0.122,626 -0.044,627 -0.058,628 -0.053,629 0.034,630 -0.071,631 -0.046,632 -0.106,633 0.131,634 -0.104,635 -0.008,636 -0.011,637 -0.014,638 -0.016,639 -0.113,640 -0.028,641 0.182,642 -0.107,643 0.222,644 -0.058,645 0.156,646 0.051,647 -0.25,648 0.074,649 -0.041,650 0.094,651 -0.122,652 0.092,653 -0.299,654 0.032,655 -0.212,656 -0.001,657 -0.184,658 -0.092,659 2.18,660 5.791,661 0.786,662 25.867,663 1.018,664 1.113,665 2.717,666 7.382,667 0.717,668 3.466,669 3.807,670 4.111,671 4.394,672 4.543,673 4.635,674 4.771,675 4.875,676 4.92,677 4.97,678 6.59,679 0.698,680 393.85,681 3.466,682 5.017,683 5.883,684 6.774,685 7.656,686 8.553,687 9.441,688 10.341,689 11.233,690 12.135,691 6.8,698 2,699 1,709 11,714 5,715 1,716 17,735 1,737 1,738 44,739 20,740 2,741 31,743 47,744 21,745 16,746 4,747 8,748 3,752 4,753 4,754 1,757 1,768 20,769 1,772 3,778 2,780 1,782 3,786 1,789 16,790 5,791 1,792 7,793 1,797 3,800 1,803 1,804 3,818 1,822 2,823 2,845 2,855 4,859 1,860 1,862 28,871 1,872 1,875 1,885 1,886 6.8,889 2,891 1,893 14.333,894 8.293,895 6.167,896 2.415,898 3.754,899 1.491,900 1.011,901 5.048,902 11.397,903 3.773,904 4.373,905 4.955,906 5.537,907 5.98,908 6.265,909 6.649,910 7.024,911 7.306,912 7.61,913 0.875,914 44,915 10.329,917 4.469,918 7.909,919 19.219,921 15.603,924 2.409,925 67.444,928 1,929 176.567,930 152.921,931 23.034,932 39.149,933 61.29,936 152.921,937 277.005,938 23.034,939 10.883,940 21.135,941 113.286,942 57.751,943 27.157,944 18.804,945 164.795,946 39.149,947 176.567,948 175.955,949 61.29,950 39.149,952 176.567,953 61.29,956 23.034,957 140.688,958 51.382,960 176.567,961 84.324,962 192.069,965 176.567,966 28.751,967 129.193,968 18.011,969 100.438,970 176.567,971 84.324,972 192.069,973 0.584,974 0.353,975 0.194,976 0.098,977 22,978 10,979 0.085,980 4,982 1,983 3.945,984 247.642,986 22,987 127.851,993 18.504,994 7.639,995 3.632,997 82.425,998 19.744,1003 3.28,1004 1.911,1005 18.011,1006 452.96,1007 42.5,1013 25.141,1015 1.648,1017 -0.755,1020 44.796,1021 48.974,1022 0.31,1023 0.646,1024 0.814,1025 0.935,1026 0.947,1027 0.947,1028 5.012,1029 1.401,1030 5.878,1031 4.992,1032 4.489,1033 5.059,1034 2.286,1035 6.715,1036 4.393,1037 6.229,1038 1.189,1039 7.454,1040 3.873,1041 4.111,1042 4.82,1043 1.305,1044 7.67,1045 3.929,1046 7.542,1047 1.032,1048 9.131,1049 2.901,1050 6.107,1051 7.226,1052 2.802,1053 10.794,1054 5.917,1055 8.89,1056 1,1057 10.866,1058 2.529,1059 6.567,1060 7.791,1061 2.523,1062 12.605,1063 6.293,1064 10.268,1065 0.935,1066 12.642,1067 2.275,1068 8.028,1069 9.651,1070 3.58,1071 15.249,1072 7.741,1073 11.668,1074 0.457,1075 14.445,1076 2.212,1077 8.866,1078 10.598,1079 3.693,1080 17.412,1081 8.506,1082 13.085,1083 0.035,1084 16.269,1085 0.714,1086 10.125,1087 12.22,1088 4.515,1089 19.898,1090 9.743,1091 3.243,1092 -0.278,1093 18.11,1094 0.095,1095 11.136,1096 13.366,1097 4.834,1098 22.205,1099 10.691,1100 3.028,1101 11.347,1102 19.963,1103 -0.665,1104 12.32,1105 14.872,1106 5.53,1107 24.638,1108 11.844,1109 2.58,1110 10.231,1111 21.827,1112 4.119,1113 13.409,1114 16.125,1115 5.956,1116 27.004,1117 12.878,1118 2.484,1119 7.861,1120 23.7,1121 3.864,1122 14.569,1123 17.574,1124 6.584,1125 29.421,1126 14.001,1127 2.153,1128 6.981,1129 25.58,1130 3.538,1131 15.694,1132 18.887,1133 7.065,1134 31.812,1135 15.076,1136 1.939,1137 6.318,1138 27.466,1139 3.39,1140 16.848,1141 20.307,1142 7.656,1143 34.225,1144 16.19,1145 1.778,1146 5.752,1147 29.357,1148 2.786,1149 17.99,1150 21.655,1151 8.166,1152 36.629,1153 17.286,1154 9389,1155 16948,1156 20.69,1157 31.568,1158 47.311,1159 48.927,1160 48.749,1161 46.719,1162 46.513,1163 62.165,1164 7.715,1165 136.165,1166 44.221,1167 5.404,1168 5.967,1169 6.415,1170 5.251,1171 5.243,1172 7.119,1173 3.025,1174 18.573,1175 5.105,1176 13.755,1177 1.526,1178 1.578,1179 1.573,1180 1.507,1181 1.5,1182 2.005,1183 0.249,1184 4.392,1185 1.426,1186 4.07,1187 4.107,1188 4.052,1189 3.955,1190 7.447,1191 3.967,1192 3.938,1193 3.966,1194 3.979,1195 3.85,1196 7.41,1197 3.85,1198 3.785,1199 3.81,1200 3.774,1201 3.698,1202 4.948,1203 3.7,1204 3.657,1205 3.689,1206 3.648,1207 3.476,1208 4.915,1209 3.507,1210 3.233,1211 3.3,1212 3.279,1213 2.96,1214 4.734,1215 2.971,1216 3.048,1217 3.074,1218 3.056,1219 2.891,1220 4.365,1221 2.904,1222 2.887,1223 2.925,1224 2.981,1225 2.79,1226 4.311,1227 2.766,1228 2.871,1229 2.922,1230 2.804,1231 2.735,1232 4.207,1233 2.715,1234 0.146,1235 0.128,1236 0.221,1237 0.136,1238 0.105,1239 4.511,1240 0.133,1241 3.967,1242 0.056,1243 6.863,1244 0.366,1245 4.203,1246 0.1,1247 3.243,1248 4.119,1249 1.725,1250 11.347,1251 3.105,1252 1.909,1253 1.883,1254 2.004,1255 2.025,1256 1.107,1257 2.019,1258 1.883,1259 1.86,1260 1.967,1261 1.974,1262 1.069,1263 1.978,1264 1.649,1265 1.623,1266 1.752,1267 1.783,1268 0.855,1269 1.771,1270 1.442,1271 1.396,1272 1.622,1273 1.615,1274 0.657,1275 1.62,1276 1.254,1277 1.23,1278 1.551,1279 1.559,1280 0.568,1281 1.516,1282 1.23,1283 1.18,1284 1.316,1285 1.498,1286 0.371,1287 1.487,1288 1.116,1289 1.041,1290 1.282,1291 1.378,1292 0.307,1293 1.36,1294 0.886,1295 0.824,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.143,1302 5.476,1303 3.045,1304 6.999,1305 5.416,1306 8.604,1307 7.506,1308 10.255,1310 1.612,1311 5.984,1317 2.629,1318 5.184,1321 1.068,1326 30.724,1327 74.467,1328 155.221,1329 195.486,1330 224.705,1331 227.46,1332 227.46,1333 49.258,1334 7.643,1335 69.02,1336 69.02,1337 22,1338 12.658,1339 4.392,1340 3.644,1341 42.453,1342 111,1343 125,1344 0.189,1345 191.139,1346 335.26,1347 458.14,1348 22454,1349 2.3,1350 19.673,1351 0.703,1352 0.56,1353 20.173,1354 15.681,1355 13.563,1356 0.438,1357 0.287,1358 8.409,1359 12.722,1360 8.193,1361 6.791,1362 13.852,1363 8.889,1364 12.221,1365 0.278,1366 0.149,1367 12.629,1368 6.546,1369 10.601,1370 0.177,1371 0.077,1372 10.863,1373 4.603,1374 9.109,1375 0.114,1376 0.04,1377 9.363,1378 3.207,1379 6.716,1380 0.072,1381 0.021,1382 6.913,1383 1.963,1384 0.296,1385 88.268,1386 0.22,1387 26.675,1388 0.52,1389 150,1390 483.033,1391 180.875,1392 493.648,1393 664.92,1394 460,1395 179,1396 470.033,1397 204.478,1398 484.335,1399 710.84,1400 455,1401 4.519}
{0 CHEMBL1440300,1 1.919,2 9.318,3 4.094,4 16.761,5 92.372,6 11.709,7 0.522,8 3.572,9 3.628,10 3.618,11 3.337,12 4.823,13 3.269,14 4.003,15 4.074,16 4.05,17 3.697,18 5.322,19 3.598,20 4.28,21 4.39,22 4.344,23 3.794,24 5.762,25 3.684,26 4.202,27 4.316,28 4.1,29 3.62,30 5.713,31 3.532,32 4.048,33 4.133,34 3.982,35 3.518,36 5.742,37 3.445,38 3.927,39 3.991,40 4.023,41 3.491,42 5.473,43 3.386,44 3.838,45 3.909,46 3.938,47 3.381,48 5.346,49 3.247,50 3.702,51 3.811,52 3.376,53 3.125,54 5.201,55 3.034,56 0.115,57 0.374,58 1.239,59 2.388,60 13.251,61 2.367,62 0.216,63 0.561,64 4.293,65 3.911,66 21.469,67 4.148,68 0.566,69 0.733,70 21.116,71 6.886,72 63.865,73 6.503,74 0.577,75 0.668,76 20.05,77 6.663,78 72.324,79 5.905,80 0.567,81 0.523,82 16.725,83 5.408,84 82.647,85 4.716,86 0.434,87 0.426,88 15.534,89 4.342,90 52.15,91 3.758,92 0.417,93 0.426,94 21.143,95 4.527,96 46.804,97 3.393,98 0.367,99 0.402,100 13.989,101 4.021,102 46.944,103 3.252,104 26,105 31,106 0.356,107 0.569,108 0.683,109 0.825,110 0.881,111 0.881,112 3.146,113 1.091,114 -4.87,115 -4.78,116 -4.48,120 46.9,139 1,140 1,143 9,145 3,159 1,174 7,180 1,182 1,185 7,189 4,194 4,197 6,201 5,206 2,209 3,213 1,214 4,217 1,222 5,227 3,232 2,235 7,240 3,245 2,247 5,252 4,257 1,260 3,264 1,271 8,274 648,275 14.449,276 14.449,277 14.449,278 14.449,279 14.449,280 12.36,281 10.952,282 8.578,283 15.112,284 11.26,285 11.26,286 11.26,287 11.26,288 11.26,289 8.245,290 10.885,291 4.025,292 12.523,293 3.081,294 1.932,295 1.317,296 0.55,297 0.25,298 0.25,299 3.8,303 2,304 1,305 1,306 1,307 1,308 423,309 3.808,313 168.023,320 1.5,321 31.663,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.5,333 205,334 4.453,335 4.978,336 6.59,337 3.935,338 3.08,339 3.966,340 3.648,341 10.158,342 2.682,343 4.178,344 3.696,345 6.082,346 3.73,347 2.819,348 3.778,349 1.058,350 8.756,351 2.482,352 3.951,353 3.25,354 5.861,355 3.472,356 2.546,357 3.437,359 7.851,360 2.321,361 3.387,362 3.085,363 4.968,364 2.884,365 1.962,366 2.629,368 5.327,369 1.736,370 2.986,371 2.224,372 4.235,373 2.479,374 1.539,375 2.134,377 3.81,378 1.434,379 2.866,380 1.885,381 3.905,382 2.352,383 1.414,384 2.014,386 3.158,387 1.255,388 2.782,389 1.769,390 3.599,391 2.28,392 1.329,393 1.864,395 2.95,396 1.203,397 2.5,398 1.498,399 3.458,400 2,401 1,402 1.5,404 2.136,405 1,406 2.434,407 1.178,408 3.247,409 1.759,410 0.846,411 1.227,413 2.07,414 0.714,415 1.505,416 1,417 2.927,418 1.041,419 0.285,420 0.333,422 0.633,423 0.17,424 1.379,425 0.632,426 2.414,427 0.822,428 0.02,429 0.025,431 0.043,432 0.014,433 0.784,434 0.448,435 2,436 0.292,437 -0.606,438 -0.783,440 -1.407,441 -0.467,442 0.748,443 0.195,444 1.938,445 0.214,446 -0.751,447 -1.076,449 -1.609,450 -0.676,451 0.5,452 -0.42,453 1.667,454 0.014,455 -1,456 -1.394,458 -2.347,459 -0.745,460 0.482,461 -0.514,462 1.555,464 -1,465 -1.5,467 -2.433,468 -1,469 11.543,470 0.525,471 0.583,472 0.027,473 30.25,474 1.375,475 17,476 0.773,477 13.25,478 0.602,479 16.192,480 0.736,481 22.657,482 0.708,483 21.388,484 0.972,485 6.109,486 0.278,487 4.393,488 0.2,489 0.243,491 0.332,496 0.542,497 0.991,498 0.569,499 0.781,500 0.589,501 0.689,502 0.604,503 1.196,504 0.595,505 0.831,506 0.665,507 0.903,508 0.719,509 1.13,510 0.801,511 1.054,512 0.803,513 0.945,514 1.128,515 1.081,516 1.166,517 1.218,518 1.2,519 0.996,520 1.391,521 0.837,522 1.293,523 0.96,524 1.364,525 0.828,526 1.717,527 0.95,528 1.424,529 0.925,530 1.615,531 0.938,532 1.732,533 1.018,534 1.547,535 1.179,536 1.6,537 1.104,538 1.443,539 0.899,540 1.368,541 1.224,542 1.452,543 1.102,544 4,545 0.033,546 3.111,547 1.688,548 1.253,549 0.743,550 0.449,551 0.281,552 0.177,553 0.064,554 4659,555 19514,556 1.944,557 31.3,559 9,562 1,567 1.645,568 1.784,569 3.226,570 -0.22,572 1,575 61.422,576 1.919,577 3.068,578 3.683,579 4.45,580 4.75,581 4.75,582 2.681,583 3.88,584 4.434,585 3.347,586 773.267,587 7.617,588 8583.83,590 1,591 1,592 1,593 160,594 1.529,595 4.365,596 0.174,597 0.003,598 0.1,599 0.051,600 0.045,601 0.028,602 0.019,603 0.014,604 0.011,605 0.005,606 0.45,607 0.33,608 1,609 0.688,610 101.455,611 0.001,612 0.031,613 0.021,614 0.006,615 -0.092,616 0.039,617 0.057,618 -0.205,619 0.093,620 -0.006,621 -0.035,622 -0.114,623 0.246,624 -0.106,625 0.205,626 -0.027,627 0.149,628 0.018,629 0.031,630 -0.073,631 -0.063,632 -0.155,633 0.011,634 -0.007,635 -0.037,636 0.113,637 -0.169,638 0.042,639 0.124,640 0.087,641 -0.368,642 -0.071,643 -0.161,644 0.028,645 -0.285,646 -0.069,647 -0.398,648 -0.018,649 -0.209,650 -0.084,651 -0.308,652 -0.209,653 -0.262,654 0.121,655 -0.352,656 -0.187,657 -0.14,658 -0.157,659 2.945,660 5.241,661 0.545,662 16.182,663 1.035,664 1.099,665 3.641,666 13.258,667 0.803,668 3.178,669 3.466,670 3.689,671 3.784,672 3.892,673 3.714,674 3.689,675 3.638,676 3.555,677 3.434,678 5.597,679 0.759,680 374.68,681 3.178,682 4.691,683 5.517,684 6.361,685 7.203,686 8.05,687 8.895,688 9.744,689 10.592,690 11.441,691 3.1,698 1,709 9,714 3,716 12,737 1,738 32,739 15,740 2,741 23,743 33,744 15,745 12,746 3,747 9,748 3,749 2,752 2,753 2,754 3,768 15,772 3,778 2,782 3,783 1,786 1,789 10,790 3,791 1,792 7,793 4,797 1,803 1,804 2,823 2,838 1,844 1,845 1,855 2,857 1,860 3,862 22,864 1,871 1,885 3,886 6.3,889 2,893 12.333,894 5.679,895 4.972,896 1.684,898 2.49,899 1.402,900 0.974,901 6.174,902 8.682,903 3.497,904 4.06,905 4.58,906 4.987,907 5.412,908 5.296,909 5.531,910 5.707,911 5.853,912 5.97,913 1,914 33,915 8.155,917 3.504,918 8.139,919 14.784,921 11.653,924 2.639,925 58.056,929 105.94,930 122.298,931 18.011,932 117.446,933 47.301,935 19.133,936 103.165,937 270.687,938 18.011,940 18.011,941 104.419,942 55.507,943 9.674,944 39.149,945 105.94,946 78.297,947 105.94,948 121.176,949 47.301,950 136.579,952 105.94,953 47.301,956 18.011,957 99.665,958 81.798,959 58.281,960 105.94,961 65.312,962 239.744,965 125.073,966 17.879,967 85.286,968 18.011,969 164.747,970 105.94,971 65.312,972 239.744,973 0.58,974 0.348,975 0.166,976 0.083,977 13,978 7,979 0.121,980 4,982 1,983 3.347,984 160.318,986 12,987 94.107,991 1,993 17.189,994 7.902,995 4.418,997 65.312,998 15.165,1003 1.207,1005 18.011,1006 410.996,1007 32,1013 24.304,1017 -1.259,1018 -1.723,1020 33.106,1021 35.16,1022 0.384,1023 0.614,1024 0.737,1025 0.89,1026 0.95,1027 0.95,1028 4.7,1029 1,1030 5.501,1031 2.95,1032 4.143,1033 4.745,1034 3.396,1035 6.282,1036 3.934,1037 5.915,1038 0.846,1039 7.062,1040 2.136,1041 3.761,1042 4.494,1044 7.168,1045 3.277,1046 7.219,1047 0.285,1048 8.73,1049 2.07,1050 5.714,1051 6.896,1052 5.879,1053 10.257,1054 5.291,1055 8.562,1056 0.02,1057 10.458,1058 0.633,1059 6.155,1060 7.436,1062 11.935,1063 5.408,1064 9.935,1065 -0.606,1066 12.223,1067 0.043,1068 7.589,1069 9.315,1070 8.458,1071 14.55,1072 6.912,1073 11.33,1074 -0.751,1075 14.013,1076 -1.407,1077 8.389,1078 10.223,1080 16.542,1081 7.405,1082 12.741,1083 -1,1084 15.82,1085 -1.609,1086 9.621,1087 11.864,1088 11.046,1089 18.982,1090 8.661,1091 3.08,1092 -1,1093 17.638,1094 -2.347,1095 10.581,1096 12.963,1098 21.12,1099 9.355,1100 2.819,1101 10.158,1102 19.466,1103 -2.433,1104 11.732,1105 14.48,1106 13.634,1107 23.485,1108 10.479,1109 2.546,1110 8.756,1111 21.3,1112 3.966,1113 12.766,1114 15.686,1116 25.7,1117 11.286,1118 1.962,1119 7.851,1120 23.139,1121 3.778,1122 13.885,1123 17.135,1124 16.222,1125 28.033,1126 12.339,1127 1.539,1128 5.327,1129 24.983,1130 3.437,1131 14.955,1132 18.402,1134 30.289,1135 13.211,1136 1.414,1137 3.81,1138 26.831,1139 2.629,1140 16.063,1141 19.813,1142 18.81,1143 32.608,1144 14.225,1145 1.329,1146 3.158,1147 28.682,1148 2.134,1149 17.151,1150 21.117,1152 34.888,1153 15.136,1154 4712,1155 9807,1156 14.622,1157 25.705,1158 34.259,1159 37.209,1160 35.833,1161 33.95,1162 33.684,1163 45.815,1164 9.412,1165 93.783,1166 30.022,1167 5.279,1168 6.978,1169 6.392,1170 5.052,1171 5.08,1172 6.966,1173 7.295,1174 17.499,1175 4.682,1176 12.34,1177 1.49,1178 1.618,1179 1.558,1180 1.476,1181 1.465,1182 1.992,1183 0.409,1184 4.078,1185 1.305,1186 3.962,1187 3.972,1188 4.447,1189 3.961,1190 7.43,1191 3.902,1192 3.893,1193 3.915,1194 4.008,1195 3.839,1196 7.396,1197 3.829,1198 3.635,1199 3.626,1200 3.841,1201 3.591,1202 4.949,1203 3.556,1204 3.239,1205 3.235,1206 3.572,1207 3.115,1208 4.886,1209 3.072,1210 2.894,1211 2.925,1212 3.301,1213 2.815,1214 4.714,1215 2.787,1216 2.873,1217 2.922,1218 3.262,1219 2.768,1220 4.422,1221 2.748,1222 2.854,1223 2.917,1224 3.097,1225 2.735,1226 4.346,1227 2.715,1228 2.645,1229 2.668,1230 2.687,1231 2.485,1232 3.897,1233 2.485,1234 0.194,1235 0.216,1236 0.287,1237 0.171,1238 0.134,1239 4.453,1240 0.172,1241 4.978,1242 0.159,1243 6.59,1244 0.442,1245 3.935,1246 0.117,1247 3.08,1248 3.966,1249 3.648,1250 10.158,1251 2.682,1252 1.911,1253 1.902,1254 1.988,1255 1.98,1256 1.114,1257 1.998,1258 1.88,1259 1.856,1260 1.973,1261 1.956,1262 1.059,1263 1.976,1264 1.538,1265 1.552,1266 1.456,1267 1.646,1268 0.678,1269 1.641,1270 1.096,1271 1.093,1272 1.181,1273 1.255,1274 0.287,1275 1.291,1276 0.886,1277 0.824,1278 1.142,1279 1.062,1280 0.218,1281 1.107,1282 0.87,1283 0.821,1284 1.083,1285 1.026,1286 0.175,1287 1.067,1288 0.844,1289 0.813,1290 0.982,1291 0.975,1292 0.114,1293 1.004,1294 0.555,1295 0.537,1296 0.666,1297 0.767,1299 0.783,1300 3.85,1302 5.142,1304 6.635,1306 8.207,1308 9.816,1311 17.843,1317 2.518,1326 24.281,1327 61.422,1328 98.186,1329 117.861,1330 142.39,1331 152,1332 152,1333 56.905,1334 6.192,1335 46.17,1336 65.38,1337 12,1338 12,1339 4,1340 3.322,1341 42.224,1342 73,1343 66,1344 0.282,1345 167.366,1346 293.14,1347 400.133,1348 3339,1349 9.4,1350 16.113,1351 0.732,1352 0.643,1353 17.901,1354 14.139,1355 10.503,1356 0.457,1357 0.364,1358 6.231,1359 8.936,1360 5.896,1361 4.888,1362 11.991,1363 8.368,1364 9.21,1365 0.297,1366 0.223,1367 11.259,1368 6.908,1369 7.913,1370 0.203,1371 0.137,1372 10.734,1373 5.352,1374 5.522,1375 0.128,1376 0.075,1377 7.369,1378 3.218,1379 4.052,1380 0.084,1381 0.041,1382 5.397,1383 1.991,1384 0.439,1385 80.327,1386 0.262,1387 21.773,1388 0.782,1389 108,1390 391.275,1391 199.203,1392 490.503,1393 620.27,1394 448,1395 124,1396 348.226,1397 208.593,1398 410.332,1399 595.38,1400 383,1401 5.449}
{0 CHEMBL1441868,1 1.731,2 12.034,3 6.076,4 36.923,5 109.829,6 8.958,7 0.387,8 3.992,9 4.061,10 3.829,11 3.626,12 5.15,13 3.58,14 4.538,15 4.656,16 4.185,17 4.017,18 5.905,19 3.959,20 4.835,21 4.996,22 4.382,23 4.153,24 6.146,25 4.091,26 4.9,27 5.065,28 4.308,29 4.092,30 6.386,31 4.026,32 4.765,33 4.94,34 4.208,35 3.999,36 6.098,37 3.944,38 4.731,39 4.9,40 4.084,41 3.924,42 6.248,43 3.874,44 4.622,45 4.787,46 4.039,47 3.864,48 5.896,49 3.803,50 4.567,51 4.72,52 3.887,53 3.784,54 6.115,55 3.711,56 0.162,57 0.686,58 9.544,59 5.454,60 31.703,61 5.474,62 0.451,63 1.124,64 16.853,65 9.128,66 74.776,67 10.03,68 0.682,69 1.455,70 34.458,71 12.948,72 93.201,73 13.742,74 1.256,75 1.417,76 36.962,77 12.689,78 199.434,79 13.302,80 0.742,81 1.256,82 31.373,83 11.343,84 112.554,85 12.511,86 1.006,87 1.22,88 27.058,89 10.36,90 175.303,91 11.188,92 0.714,93 1.103,94 27.814,95 9.802,96 105.676,97 10.431,98 0.97,99 1.09,100 23.834,101 9.078,102 164.703,103 9.457,104 55,105 45,106 0.292,107 0.647,108 0.787,109 0.875,110 0.889,111 0.889,112 3.408,113 1.074,114 -5.7,115 -5.56,116 -5.19,120 42.9,121 1,122 5,136 1,139 1,143 5,144 2,145 5,159 1,174 10,176 2,177 2,182 2,185 12,189 9,194 2,197 12,200 4,201 7,204 1,206 2,209 10,214 10,219 2,222 9,227 8,230 1,232 1,235 9,240 6,245 1,247 10,252 4,255 2,257 1,260 8,264 4,269 2,271 6,274 1357,275 18.919,276 18.919,277 18.919,278 18.919,279 18.919,280 16.826,281 15.498,282 11.043,283 19.489,284 15.219,285 15.219,286 15.219,287 15.219,288 15.219,289 11.865,290 13.025,291 5.2,292 16.279,293 3.883,294 1.78,295 0.946,296 0.424,297 0.342,298 0.342,299 4.083,303 1,307 1,308 725,309 3.937,313 257.312,317 135.65,320 1.767,321 59.838,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 64.833,333 349,334 5.004,335 5.366,336 7.723,337 4.43,338 3.557,339 4.872,340 2.95,341 13.903,342 3.098,343 4.407,344 3.706,345 6.364,346 3.993,347 3.028,348 4.095,349 1.674,350 9.787,351 2.895,352 4.136,353 3.288,354 6.03,355 3.662,356 2.745,357 3.753,359 8.387,360 2.514,361 3.888,362 3.142,363 5.858,364 3.476,365 2.533,366 3.279,368 7.942,369 2.332,370 3.512,371 2.819,372 5.661,373 3.113,374 2.13,375 2.792,377 6.955,378 2.062,379 3.196,380 2.641,381 4.877,382 2.816,383 1.844,384 2.39,386 5.34,387 1.792,388 3.048,389 2.128,390 4.624,391 2.704,392 1.73,393 2.235,395 4.524,396 1.672,397 2.819,398 1.993,399 4.094,400 2.506,401 1.534,402 1.947,404 3.581,405 1.467,406 2.772,407 1.743,408 4.026,409 2.318,410 1.414,411 1.769,413 3.5,414 1.217,415 2.61,416 1.484,417 3.73,418 2.187,419 1.22,420 1.511,422 3.044,423 1.173,424 2.143,425 1.217,426 3.395,427 1.923,428 0.938,429 1.085,431 1.933,432 0.918,433 1.679,434 0.932,435 3.065,436 1.38,437 0.391,438 0.468,440 0.852,441 0.381,442 1.369,443 0.728,444 2.776,445 0.991,446 0.097,447 0.116,449 0.208,450 0.071,451 1.163,452 0.492,453 2.765,454 0.892,455 -0.011,456 -0.013,458 -0.022,459 -0.011,460 1,461 0.281,462 2.536,463 0.631,464 -0.308,465 -0.38,467 -0.832,468 -0.285,469 14,470 0.483,471 0.938,472 0.032,473 36.5,474 1.259,475 19,476 0.655,477 17.5,478 0.603,479 26.083,480 0.899,481 32.2,482 0.657,483 30.611,484 1.056,485 6.64,486 0.229,487 7.095,488 0.245,489 0.202,490 0.06,491 0.321,494 1,496 0.582,497 0.979,498 0.697,499 1.073,500 0.638,501 0.894,502 0.559,503 0.997,504 0.649,505 0.945,506 0.524,507 0.925,508 0.774,509 1.051,510 0.863,511 1.138,512 0.736,513 0.92,514 0.966,515 0.814,516 0.787,517 0.827,518 1.04,519 0.883,520 0.776,521 0.852,522 0.749,523 0.986,524 0.822,525 0.898,526 0.953,527 0.838,528 0.739,529 0.803,530 0.855,531 0.859,532 0.912,533 0.94,534 0.931,535 1.051,536 0.897,537 0.978,538 0.931,539 1.002,540 0.996,541 1.005,542 0.953,543 1.064,544 7.5,545 0.186,546 4.667,547 2.688,548 2.382,549 1.299,550 0.851,551 0.653,552 0.357,553 0.259,554 9751,555 33297,556 1.965,557 40.8,558 13,559 6,562 1,567 1.721,568 1.785,569 3.517,570 -0.302,575 84.834,576 1.731,577 3.835,578 4.668,579 5.191,580 5.273,581 5.273,582 3.047,583 4.72,584 4.82,585 3.652,586 1482.86,587 8.413,588 19736.5,593 275.121,594 1.713,595 4.748,596 0.242,597 0.009,598 0.104,599 0.054,600 0.053,601 0.031,602 0.022,603 0.019,604 0.012,605 0.011,606 0.555,607 0.17,608 0.88,609 1.5,610 146.768,611 0.011,612 0.023,613 0.108,614 0.013,615 -0.084,616 0.051,617 0.139,618 -0.054,619 0.124,620 0.03,621 0.154,622 0.03,623 0.055,624 -0.074,625 0.151,626 -0.073,627 0.065,628 0.086,629 0.096,630 0.062,631 0.115,632 0.123,633 0.062,634 0.069,635 0.062,636 -0.063,637 0.176,638 -0.037,639 0.036,640 0.094,641 0.081,642 0.059,643 0.082,644 0.104,645 0.16,646 0.089,648 -0.074,649 0.042,650 -0.076,651 -0.049,652 0.002,653 0.143,654 0.015,655 -0.107,656 -0.035,657 0.142,658 -0.121,659 5.184,660 5.867,661 0.552,662 30.709,663 1.026,664 1.119,665 4.467,666 19.956,667 0.696,668 3.466,669 3.829,670 4.094,671 4.317,672 4.595,673 4.71,674 4.828,675 4.949,676 5.004,677 4.997,678 6.702,679 0.669,680 438.93,681 3.466,682 5.03,683 5.889,684 6.786,685 7.672,686 8.577,687 9.475,688 10.386,689 11.29,690 12.204,709 5,714 7,716 12,734 1,737 2,738 49,739 16,740 2,741 31,743 51,744 21,745 12,746 7,747 5,748 3,752 3,753 4,754 1,759 1,766 5,768 15,769 6,772 4,776 1,778 3,780 1,782 2,787 1,789 20,790 6,791 1,792 8,793 2,803 0.667,804 5,823 3,827 1,841 1,845 2,855 2,857 1,859 1,860 1,861 1,862 29,865 1,868 1,869 5,872 1,885 2,886 10.2,888 1,889 3,891 1,893 16.25,894 9.069,895 6.361,896 3.205,898 2.655,899 1.356,900 0.957,901 6.547,902 10.114,903 3.738,904 4.382,905 4.938,906 5.448,907 6.023,908 6.345,909 6.668,910 7.003,911 7.27,912 7.421,913 1,914 50,915 11.281,917 5.461,918 8.26,919 19.971,921 16.754,924 2.76,925 80.028,929 223.651,930 118.93,932 39.149,933 123.141,934 14.96,935 6.046,936 112.884,937 385.941,938 14.96,939 8.825,940 12.673,941 62.903,942 120.883,943 36.787,944 14.96,945 223.651,946 39.149,947 223.651,948 112.884,949 138.101,950 45.195,952 238.611,953 123.141,956 21.498,957 80.36,958 56.222,960 238.611,961 123.141,962 158.079,964 6.046,965 223.651,966 47.202,967 65.683,969 177.25,970 223.651,971 138.101,972 158.079,973 0.591,974 0.346,975 0.17,976 0.097,977 21,978 11,979 0.137,980 7,981 1,982 1.125,983 3.864,984 254.899,985 0.125,986 16,987 138.881,992 1,993 21.665,994 8.764,995 4.594,997 138.101,998 5.847,1003 -0.335,1005 42.683,1006 519.831,1007 41,1011 -4.267,1013 38.045,1015 1.211,1017 -1.65,1020 50.269,1021 54.818,1022 0.308,1023 0.683,1024 0.831,1025 0.925,1026 0.939,1027 0.939,1028 5.004,1029 1.534,1030 5.932,1031 4.524,1032 4.511,1033 5.069,1034 3.179,1035 6.825,1036 4.372,1037 6.266,1038 1.414,1039 7.561,1040 3.581,1041 4.369,1042 5.255,1044 8.1,1045 4.054,1046 7.639,1047 1.22,1048 9.307,1049 3.5,1050 6.229,1051 7.418,1052 5.125,1053 11.199,1054 5.911,1055 9.055,1056 0.938,1057 11.125,1058 3.044,1059 6.889,1060 8.403,1062 13.328,1063 6.36,1064 10.509,1065 0.391,1066 12.993,1067 1.933,1068 8.307,1069 10.144,1070 7.218,1071 16.066,1072 7.754,1073 11.991,1074 0.097,1075 14.896,1076 0.852,1077 9.307,1078 11.457,1080 18.518,1081 8.552,1082 13.494,1083 -0.011,1084 16.826,1085 0.208,1086 10.588,1087 13.067,1088 9.358,1089 21.169,1090 9.767,1091 3.557,1092 -0.308,1093 18.778,1094 -0.022,1095 11.731,1096 14.52,1098 23.736,1099 10.728,1100 3.028,1101 13.903,1102 20.748,1103 -0.832,1104 12.976,1105 16.092,1106 11.515,1107 26.369,1108 11.873,1109 2.745,1110 9.787,1111 22.732,1112 4.872,1113 14.18,1114 17.607,1116 28.976,1117 12.911,1118 2.533,1119 8.387,1120 24.727,1121 4.095,1122 15.421,1123 19.171,1124 13.676,1125 31.606,1126 14.03,1127 2.13,1128 7.942,1129 26.733,1130 3.753,1131 16.652,1132 20.716,1134 34.229,1135 15.105,1136 1.844,1137 6.955,1138 28.746,1139 3.279,1140 17.898,1141 22.282,1142 15.839,1143 36.859,1144 16.216,1145 1.73,1146 5.34,1147 30.765,1148 2.792,1149 19.143,1150 23.842,1152 39.487,1153 17.309,1154 9769,1155 18502,1156 19.592,1157 34.091,1158 46.781,1159 50.143,1160 49.217,1161 46.592,1162 46.321,1163 60.623,1164 9.249,1165 139.917,1166 43.182,1167 5.915,1168 7.366,1169 7.659,1170 5.569,1171 5.557,1172 7.872,1173 5.9,1174 22.191,1175 5.098,1176 18.416,1177 1.509,1178 1.618,1179 1.588,1180 1.503,1181 1.494,1182 1.956,1183 0.298,1184 4.513,1185 1.393,1186 4.136,1187 4.106,1188 4.755,1189 4.145,1190 8.201,1191 4.061,1192 3.939,1193 3.947,1194 3.955,1195 3.881,1196 7.715,1197 3.872,1198 3.744,1199 3.792,1200 3.916,1201 3.651,1202 7.431,1203 3.623,1204 3.654,1205 3.657,1206 3.555,1207 3.563,1208 6.999,1209 3.531,1210 3.416,1211 3.466,1212 3.377,1213 3.271,1214 6.469,1215 3.245,1216 3.243,1217 3.234,1218 3.229,1219 3.059,1220 4.843,1221 3.053,1222 2.994,1223 3.057,1224 3.125,1225 2.829,1226 4.746,1227 2.823,1228 2.927,1229 2.959,1230 2.895,1231 2.793,1232 4.26,1233 2.765,1234 0.161,1235 0.173,1236 0.249,1237 0.143,1238 0.115,1239 5.004,1240 0.157,1241 5.366,1242 0.095,1243 7.723,1244 0.448,1245 4.43,1246 0.1,1247 3.557,1248 4.872,1249 2.95,1250 13.903,1251 3.098,1252 2.019,1253 2.04,1254 2.07,1255 2.083,1256 1.381,1257 2.102,1258 1.906,1259 1.897,1260 1.972,1261 1.981,1262 1.24,1263 2.007,1264 1.74,1265 1.687,1266 1.917,1267 1.894,1268 1.143,1269 1.919,1270 1.579,1271 1.578,1272 1.75,1273 1.711,1274 0.964,1275 1.732,1276 1.4,1277 1.346,1278 1.512,1279 1.573,1280 0.746,1281 1.609,1282 1.102,1283 1.105,1284 1.356,1285 1.326,1286 0.579,1287 1.341,1288 0.986,1289 0.927,1290 1.116,1291 1.217,1292 0.271,1293 1.226,1294 0.867,1295 0.824,1296 1.105,1297 1.114,1298 0.221,1299 1.096,1300 4.143,1302 5.493,1304 7.047,1306 8.7,1308 10.407,1310 2.103,1311 5.682,1312 13.379,1314 10.189,1315 4.692,1318 5.132,1326 32.767,1327 84.834,1328 187.896,1329 228.756,1330 254.366,1331 258.366,1332 258.366,1333 98.777,1334 7.458,1335 84.58,1336 92.96,1337 18,1338 12.719,1339 4.087,1340 3.459,1341 52.437,1342 115,1343 152,1344 0.227,1345 207.253,1346 375.6,1347 497.458,1348 16279,1349 4.1,1350 21.181,1351 0.73,1352 0.597,1353 21.061,1354 17.316,1355 13.734,1356 0.443,1357 0.358,1358 9.287,1359 12.199,1360 8.934,1361 7.416,1362 14.401,1363 11.097,1364 12.919,1365 0.287,1366 0.203,1367 14.132,1368 9.132,1369 10.704,1370 0.181,1371 0.114,1372 11.641,1373 6.72,1374 8.252,1375 0.112,1376 0.063,1377 9.682,1378 4.648,1379 6.815,1380 0.07,1381 0.034,1382 8.128,1383 3.36,1384 0.354,1385 97.306,1386 0.226,1387 27.419,1388 0.629,1389 152,1390 576.267,1391 223.627,1392 572.237,1393 741.86,1394 522,1395 180,1396 477.889,1397 257.265,1398 520.119,1399 767.01,1400 487,1401 4.757}
{0 CHEMBL1441932,1 1.524,2 10.296,3 5.261,4 27.68,5 104.734,6 10.173,7 0.586,8 3.848,9 3.909,10 3.678,11 3.468,12 5.108,13 3.464,14 4.304,15 4.393,16 4.063,17 3.797,18 5.599,19 3.784,20 4.475,21 4.591,22 4.111,23 3.862,24 5.783,25 3.827,26 4.475,27 4.587,28 4.074,29 3.807,30 5.845,31 3.787,32 4.481,33 4.619,34 4.169,35 3.798,36 5.816,37 3.766,38 4.473,39 4.627,40 4.021,41 3.794,42 5.874,43 3.745,44 4.402,45 4.538,46 4.137,47 3.781,48 5.739,49 3.737,50 4.386,51 4.516,52 4.155,53 3.745,54 5.664,55 3.683,56 0.094,57 0.455,58 3.7,59 3.721,60 6.193,61 3.806,62 0.345,63 0.723,64 9.324,65 6.161,66 25.276,67 6.043,68 0.529,69 0.859,70 21.844,71 8.024,72 39.638,73 7.969,74 0.522,75 0.857,76 17.574,77 7.671,78 47.991,79 7.071,80 0.512,81 0.88,82 19.9,83 7.964,84 49.945,85 7.657,86 0.569,87 0.882,88 21.431,89 8.149,90 78.219,91 8.678,92 0.469,93 0.807,94 21.197,95 7.667,96 46.649,97 7.752,98 0.523,99 0.788,100 16.94,101 7.399,102 49.648,103 7.006,104 18,105 39,106 0.263,107 0.584,108 0.769,109 0.895,110 0.911,111 0.911,112 3.34,113 0.908,114 -4.42,115 -4.35,116 -4.1,118 1,120 50,125 1,136 2,143 9,144 2,145 3,152 1,153 1,158 1,159 1,174 9,176 1,177 8,185 11,188 2,189 9,197 11,200 1,201 9,209 6,214 9,222 8,226 2,227 7,235 10,239 1,240 7,247 9,251 1,252 7,260 8,264 5,271 8,274 1235,275 18.284,276 18.284,277 18.284,278 18.284,279 18.284,280 15.845,281 12.669,282 10.893,283 18.681,284 14.231,285 14.231,286 14.231,287 14.231,288 14.231,289 10.469,290 12.026,291 5.063,292 14.811,293 3.868,294 2.007,295 0.935,296 0.208,297 0.113,298 0.113,299 4.019,306 1,307 1,308 587,309 3.606,312 77.671,313 193.321,320 1.641,321 33.058,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 58.75,333 278,334 4.404,335 3.706,336 6.484,337 4.029,338 3.047,339 4.038,340 1.674,341 10.098,342 2.994,343 4.213,344 3.513,345 6.13,346 3.81,347 2.837,348 3.836,349 0.86,350 8.982,351 2.767,352 4.133,353 3.033,354 6.019,355 3.755,356 2.757,357 3.686,359 8.545,360 2.733,361 3.63,362 2.908,363 5.096,364 3.165,365 2.225,366 2.977,368 5.968,369 2.094,370 3.417,371 2.569,372 4.964,373 2.954,374 2.042,375 2.688,377 5.799,378 1.764,379 3.138,380 2.194,381 4.41,382 2.644,383 1.665,384 2.329,386 4.301,387 1.58,388 2.984,389 1.929,390 4.225,391 2.549,392 1.574,393 2.138,395 3.874,396 1.511,397 2.917,398 1.509,399 3.871,400 2.453,401 1.467,402 2.08,404 3.1,405 1.435,406 2.622,407 1.404,408 3.621,409 2.121,410 1.112,411 1.632,413 2.855,414 1.12,415 2.288,416 1.049,417 3.249,418 1.784,419 0.799,420 1.138,422 1.895,423 0.773,424 2.238,425 0.942,426 3.047,427 1.618,428 0.618,429 0.927,431 1.372,432 0.618,433 2.118,434 0.936,435 3,436 1.582,437 0.601,438 0.864,440 1.246,441 0.579,442 1.652,443 0.832,444 2.726,445 1.291,446 0.368,447 0.472,449 0.621,450 0.336,451 1.479,452 0.618,453 2.599,454 1.005,455 0.095,456 0.124,458 0.217,459 0.071,460 0.853,461 0.264,462 2.359,463 0.485,464 -0.492,465 -0.621,467 -0.976,468 -0.396,469 13.5,470 0.5,471 0.592,472 0.022,473 38,474 1.407,475 21.5,476 0.796,477 16.5,478 0.611,479 19.626,480 0.727,481 27.3,482 0.65,483 28.615,484 1.06,485 7.859,486 0.291,487 5.221,488 0.193,489 0.185,491 0.296,496 0.734,497 1.044,498 0.48,499 0.851,500 0.587,501 0.812,502 0.954,503 0.985,504 0.611,505 0.826,506 0.661,507 0.837,508 0.962,509 1.026,510 1.041,511 1.025,512 0.854,513 0.982,514 1.296,515 1.074,516 0.843,517 0.973,518 1.348,519 0.99,520 1.119,521 1.013,522 0.722,523 0.97,524 1.412,525 0.958,526 0.899,527 0.904,528 0.785,529 0.846,530 1.157,531 0.868,532 0.912,533 0.964,534 1.002,535 0.982,536 1.066,537 0.914,538 1.105,539 1.001,540 1.013,541 0.967,542 1.313,543 1.009,544 5,545 0.125,546 3.333,547 1.465,548 1.486,549 0.899,550 0.59,551 0.381,552 0.27,553 0.222,554 8648,555 29660,556 2.035,557 35.7,559 14,560 1,567 1.704,568 1.906,569 3.367,570 -0.769,575 64.026,576 1.524,577 3.385,578 4.457,579 5.184,580 5.279,581 5.279,582 2.769,583 4.431,584 4.728,585 3.544,586 1244.09,587 8.223,588 16289,593 226.477,594 1.399,595 4.685,596 0.172,597 0.007,598 0.085,599 0.038,600 0.04,601 0.026,602 0.017,603 0.011,604 0.009,605 0.009,606 0.414,607 0.17,608 1,609 0.76,610 134.174,611 -0.033,612 -0.092,613 0.004,614 -0.059,615 -0.068,616 -0.015,617 -0.014,618 -0.018,619 0.014,620 0.025,621 0.02,622 0.008,623 0.052,624 -0.057,625 -0.074,626 -0.068,627 0.049,628 -0.06,629 -0.128,630 -0.098,631 -0.055,632 -0.063,633 -0.09,634 -0.102,635 -0.073,636 -0.033,637 0.072,638 -0.046,639 -0.109,640 -0.015,641 0.087,642 0.081,643 0.021,644 0.093,645 0.152,646 0.113,647 0.047,648 0.008,649 0.032,650 0.003,651 0.041,652 0.051,653 -0.044,654 -0.028,655 0.045,656 0.022,657 -0.172,658 -0.06,659 2.343,660 5.695,661 0.63,662 24.491,663 1.022,664 1.1,665 3.191,666 10.181,667 0.731,668 3.401,669 3.689,670 3.932,671 4.127,672 4.248,673 4.22,674 4.263,675 4.304,676 4.357,677 4.382,678 6.449,679 0.71,680 427.26,681 3.401,682 4.92,683 5.753,684 6.608,685 7.456,686 8.314,687 9.168,688 10.027,689 10.883,690 11.743,709 10,712 1,714 6,716 17,721 1,726 1,735 1,737 1,738 42,739 20,740 2,741 29,742 1,743 44,744 21,745 16,746 5,747 7,748 4,752 3,753 3,768 20,769 1,772 3,778 2,780 2,782 2,788 1,789 15,790 5,792 6,793 1,803 1,804 5,822 1,823 2,845 2,855 3,858 1,859 1,862 27,872 2,885 1,886 11.9,889 2,891 3,893 14.167,894 7.976,895 6.111,896 2.286,898 3.63,899 1.519,900 0.97,901 6.273,902 10.631,903 3.726,904 4.294,905 4.863,906 5.372,907 5.771,908 5.901,909 6.156,910 6.44,911 6.778,912 7.109,913 0.857,914 39,915 9.955,917 4.178,918 7.966,919 18.352,921 14.294,924 2.466,925 66.583,929 176.567,930 164.548,931 45.954,933 81.797,936 210.502,937 258.364,939 10.883,941 115.978,942 62.615,943 51.42,944 17.22,945 164.795,946 45.954,947 176.567,948 164.548,949 81.797,951 45.954,952 176.567,953 81.797,957 145.596,958 18.952,959 45.954,960 176.567,961 81.797,962 210.502,965 176.567,966 37.687,967 126.861,968 45.954,969 81.797,970 176.567,971 81.797,972 210.502,973 0.572,974 0.34,975 0.18,976 0.09,977 17,978 8,979 0.159,980 7,982 1,983 3.872,984 220.712,986 17,987 128.382,993 19.147,994 8.846,995 4.759,997 81.797,998 16.618,1001 5.026,1003 2.553,1006 468.866,1007 40.5,1013 24.82,1015 3.06,1017 -0.991,1020 42.934,1021 46.21,1022 0.283,1023 0.628,1024 0.827,1025 0.961,1026 0.979,1027 0.979,1028 4.929,1029 1.467,1030 5.72,1031 3.874,1032 4.369,1033 4.98,1034 2.09,1035 6.494,1036 4.302,1037 6.132,1038 1.112,1039 7.261,1040 3.1,1041 3.892,1042 4.663,1044 7.345,1045 3.77,1046 7.425,1047 0.799,1048 8.902,1049 2.855,1050 5.927,1051 7.138,1052 2.88,1053 10.416,1054 5.818,1055 8.755,1056 0.618,1057 10.605,1058 1.895,1059 6.293,1060 7.665,1062 12.099,1063 6.153,1064 10.117,1065 0.601,1066 12.346,1067 1.372,1068 7.763,1069 9.555,1070 3.826,1071 14.667,1072 7.625,1073 11.499,1074 0.368,1075 14.113,1076 1.246,1077 8.511,1078 10.48,1080 16.684,1081 8.353,1082 12.899,1083 0.095,1084 15.898,1085 0.621,1086 9.755,1087 12.113,1088 4.83,1089 19.074,1090 9.591,1091 3.047,1092 -0.492,1093 17.696,1094 0.217,1095 10.681,1096 13.243,1098 21.235,1099 10.5,1100 2.837,1101 10.098,1102 19.505,1103 -0.976,1104 11.83,1105 14.751,1106 5.852,1107 23.558,1108 11.639,1109 2.757,1110 8.982,1111 21.321,1112 4.038,1113 12.84,1114 15.988,1116 25.784,1117 12.631,1118 2.225,1119 8.545,1120 23.142,1121 3.836,1122 13.95,1123 17.432,1124 6.88,1125 28.083,1126 13.728,1127 2.042,1128 5.968,1129 24.969,1130 3.686,1131 15,1132 18.729,1134 30.341,1135 14.76,1136 1.665,1137 5.799,1138 26.799,1139 2.977,1140 16.095,1141 20.14,1142 7.91,1143 32.633,1144 15.84,1145 1.574,1146 4.301,1147 28.633,1148 2.688,1149 17.164,1150 21.469,1152 34.909,1153 16.891,1154 8443,1155 15810,1156 19.186,1157 30.716,1158 43.365,1159 44.898,1160 43.756,1161 42.584,1162 42.416,1163 57.857,1164 5.069,1165 117.745,1166 40.746,1167 5.255,1168 5.706,1169 6.181,1170 5.105,1171 5.047,1172 7.038,1173 3.349,1174 16.882,1175 4.994,1176 13.217,1177 1.495,1178 1.548,1179 1.509,1180 1.468,1181 1.463,1182 1.995,1183 0.175,1184 4.06,1185 1.405,1186 3.996,1187 4.004,1188 6.88,1189 3.927,1190 7.434,1191 3.925,1192 3.906,1193 3.916,1194 3.93,1195 3.832,1196 7.427,1197 3.827,1198 3.856,1199 3.864,1200 3.856,1201 3.721,1202 5.056,1203 3.743,1204 3.462,1205 3.485,1206 3.765,1207 3.362,1208 4.877,1209 3.358,1210 3.249,1211 3.315,1212 3.361,1213 2.989,1214 4.767,1215 3.005,1216 3.203,1217 3.178,1218 3.122,1219 2.967,1220 4.399,1221 2.979,1222 2.97,1223 3.001,1224 3.063,1225 2.843,1226 4.197,1227 2.847,1228 2.802,1229 2.855,1230 2.865,1231 2.73,1232 4.154,1233 2.7,1234 0.152,1235 0.128,1236 0.224,1237 0.139,1238 0.105,1239 4.404,1240 0.139,1241 3.706,1242 0.058,1243 6.484,1244 0.348,1245 4.029,1246 0.103,1247 3.047,1248 4.038,1249 1.674,1250 10.098,1251 2.994,1252 1.937,1253 1.924,1254 2.026,1255 2.021,1256 1.125,1257 2.022,1258 1.871,1259 1.856,1260 1.935,1261 1.954,1262 1.067,1263 1.955,1264 1.521,1265 1.505,1266 1.665,1267 1.684,1268 0.714,1269 1.651,1270 1.437,1271 1.41,1272 1.596,1273 1.586,1274 0.622,1275 1.583,1276 1.329,1277 1.328,1278 1.571,1279 1.571,1280 0.574,1281 1.556,1282 1.197,1283 1.124,1284 1.429,1285 1.51,1286 0.333,1287 1.531,1288 0.949,1289 0.92,1290 1.16,1291 1.115,1292 0.221,1293 1.125,1294 0.86,1295 0.846,1296 1.102,1297 1.09,1298 0.163,1299 1.052,1300 4.078,1302 5.371,1303 2.398,1304 6.853,1305 4.443,1306 8.423,1307 6.293,1308 10.038,1309 3.333,1310 1.564,1318 10.6,1326 29.814,1327 64.026,1328 142.174,1329 187.193,1330 217.722,1331 221.722,1332 221.722,1333 54.555,1334 7,1335 65.74,1336 65.74,1337 17,1338 12.294,1339 4.392,1340 3.644,1341 46.818,1342 101,1343 95,1344 0.217,1345 189.723,1346 336.27,1347 454.684,1348 10367,1349 2.4,1350 19.225,1351 0.712,1352 0.59,1353 20.225,1354 15.933,1355 13.08,1356 0.451,1357 0.303,1358 7.91,1359 11.97,1360 7.678,1361 6.385,1362 13.657,1363 8.782,1364 11.367,1365 0.291,1366 0.163,1367 12.184,1368 6.363,1369 9.504,1370 0.19,1371 0.084,1372 10.028,1373 4.179,1374 7.567,1375 0.124,1376 0.045,1377 8.005,1378 2.749,1379 5.643,1380 0.082,1381 0.026,1382 6.282,1383 1.76,1384 0.34,1385 90.845,1386 0.228,1387 25.981,1388 0.599,1389 136,1390 495.332,1391 216.928,1392 500.686,1393 659.8,1394 466,1395 157,1396 446.188,1397 200.435,1398 460.252,1399 668.74,1400 431,1401 4.688}
{0 CHEMBL1442136,1 1.726,2 10.759,3 5.309,4 28.188,5 119.183,6 9.131,7 0.548,8 3.973,9 4.069,10 3.748,11 3.645,12 5.107,13 3.583,14 4.479,15 4.615,16 4.091,17 4.017,18 5.604,19 3.923,20 4.739,21 4.92,22 4.17,23 4.091,24 5.881,25 3.994,26 4.77,27 4.944,28 4.249,29 4.133,30 5.927,31 4.052,32 4.906,33 5.081,34 4.426,35 4.242,36 6.235,37 4.159,38 4.961,39 5.135,40 4.456,41 4.3,42 6.222,43 4.171,44 4.886,45 5.08,46 4.214,47 4.203,48 6.034,49 4.04,50 4.732,51 4.958,52 4.188,53 4.03,54 5.826,55 3.851,56 0.04,57 0.634,58 7.232,59 4.308,60 8.002,61 5.237,62 0.224,63 1.047,64 17.874,65 7.723,66 23.819,67 9.242,68 0.514,69 1.34,70 30.166,71 10.367,72 59.473,73 11.904,74 0.305,75 1.364,76 26.811,77 10.474,78 46.501,79 12.222,80 0.57,81 1.539,82 32.554,83 12.258,84 89.548,85 13.662,86 0.656,87 1.591,88 45.427,89 14.386,90 94.448,91 14.81,92 0.538,93 1.398,94 41.903,95 13.836,96 87.316,97 15.665,98 0.579,99 1.169,100 45.389,101 12.13,102 76.875,103 14.537,104 19,105 41,106 0.29,107 0.585,108 0.75,109 0.86,110 0.869,111 0.869,112 3.408,113 1.053,114 -5.06,115 -4.96,116 -4.65,120 44.9,122 1,126 2,128 1,143 11,144 1,145 2,152 1,153 1,159 2,174 10,176 1,177 2,180 1,182 1,185 14,188 1,189 6,192 1,194 1,197 9,201 6,206 4,209 1,213 1,214 10,217 1,219 5,222 6,227 7,232 4,235 12,240 6,247 8,252 5,257 1,260 13,264 3,271 14,274 1592,275 19.75,276 19.75,277 19.75,278 19.75,279 19.75,280 17.391,281 20.086,282 11.962,283 20.261,284 15.232,285 15.232,286 15.232,287 15.232,288 15.232,289 11.736,290 20.533,291 5.589,292 16.129,293 3.889,294 2.137,295 1.159,296 0.505,297 0.449,298 0.449,299 4.088,300 1,303 1,306 1,307 1,308 656,309 4.243,312 96.431,313 232.295,320 1.455,321 32.049,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 61.667,333 312,334 4.425,335 3.978,336 6.996,337 4.199,338 3.248,339 3.817,340 2.149,341 11.901,342 3.082,343 4.018,344 3.623,345 6.02,346 3.616,347 2.659,348 3.574,349 2.049,350 8.444,351 2.547,352 3.897,353 2.962,354 5.341,355 3.517,356 2.521,357 3.444,358 0.87,359 6.968,360 2.504,361 3.74,362 2.839,363 5.195,364 3.29,365 2.365,366 3.108,367 0.416,368 6.333,369 2.169,370 3.554,371 2.716,372 5.086,373 3.115,374 2.162,375 2.792,376 0.115,377 5.868,378 2.025,379 3.277,380 2.504,381 4.844,382 2.832,383 1.896,384 2.49,386 5.249,387 1.68,388 2.941,389 1.901,390 4.15,391 2.558,392 1.572,393 2.108,395 3.472,396 1.549,397 2.708,398 1.738,399 3.662,400 2.316,401 1.358,402 1.745,404 3.099,405 1.283,406 2.5,407 1.69,408 3.481,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1.365,417 3.414,418 2,419 1,420 1.5,422 2.136,423 1,424 2.232,425 1.124,426 3.257,427 1.937,428 0.959,429 1.173,431 2.134,432 0.928,433 2.118,434 1,435 3.247,436 1.72,437 0.815,438 0.961,440 1.908,441 0.695,442 2.089,443 1,444 3,445 1.463,446 0.618,447 0.927,449 1.372,450 0.506,451 1.473,452 0.618,453 2.88,454 0.996,455 0.212,456 0.245,458 0.334,459 0.129,460 1.254,461 0.607,462 2.39,463 0.856,464 -0.023,465 -0.027,467 -0.049,468 -0.018,469 14.729,470 0.508,471 0.575,472 0.02,473 37.25,474 1.284,475 19.5,476 0.672,477 17.75,478 0.612,479 25.715,480 0.887,481 30.271,482 0.618,483 28.737,484 0.991,485 7.355,486 0.254,487 6.741,488 0.232,489 0.142,491 0.265,496 0.599,497 1.129,498 0.586,499 0.81,500 0.529,501 0.825,502 0.692,503 1.165,504 0.874,505 1,506 0.63,507 1.01,508 0.95,509 1.035,510 0.902,511 1.009,512 1.029,513 0.971,514 1.05,515 1.211,516 0.725,517 0.971,518 1.143,519 0.948,520 1.141,521 1.051,522 0.752,523 0.895,524 1.264,525 0.861,526 1.411,527 1.022,528 1.11,529 1.085,530 1.536,531 1.007,532 1.218,533 1.029,534 1.229,535 1.125,536 1.28,537 1.122,538 0.865,539 0.792,540 0.964,541 0.879,542 0.852,543 0.939,544 4.5,545 0.069,546 2.889,547 1.965,548 1.803,549 1.049,550 0.682,551 0.509,552 0.307,553 0.168,554 9806,555 32439,556 2.033,557 40.8,559 16,560 1,562 1,564 2,567 1.727,568 1.912,569 3.304,570 -0.336,575 84.575,576 1.726,577 3.477,578 4.455,579 5.11,580 5.166,581 5.166,582 2.819,583 4.444,584 4.825,585 3.514,586 1426.58,587 8.449,588 19222.4,593 275.121,594 1.358,595 4.792,596 0.145,597 0.003,598 0.07,599 0.047,600 0.039,601 0.02,602 0.015,603 0.014,604 0.01,605 0.006,606 0.369,607 0.17,608 1,609 0.897,610 145.949,611 -0.031,612 -0.057,613 0.02,614 0.025,615 -0.037,616 0.02,617 0.048,618 -0.091,619 -0.085,620 -0.095,621 -0.015,622 -0.122,623 0.058,624 0.03,625 -0.05,626 -0.072,627 -0.027,628 -0.047,629 -0.049,630 -0.183,631 0.037,632 -0.072,633 -0.043,634 -0.032,635 0.065,636 -0.007,637 0.083,638 0.051,639 0.13,640 0.055,641 -0.132,642 0.017,643 -0.051,644 -0.018,645 -0.098,646 -0.055,647 -0.106,648 -0.09,649 -0.122,650 -0.092,651 -0.107,652 -0.116,653 0.125,654 0.115,655 0.185,656 0.13,657 0.054,658 0.113,659 2.141,660 6.166,661 0.586,662 27.61,663 1.009,664 1.11,665 3.833,666 14.692,667 0.733,668 3.466,669 3.738,670 3.989,671 4.234,672 4.394,673 4.369,674 4.407,675 4.407,676 4.277,677 4.174,678 6.35,679 0.685,680 447.41,681 3.466,682 4.977,683 5.808,684 6.668,685 7.525,686 8.395,687 9.262,688 10.138,689 11.012,690 11.891,691 4.1,698 2,709 12,713 1,714 4,716 17,737 1,738 49,739 19,740 2,741 31,743 51,744 22,745 16,746 3,747 9,750 1,752 3,753 3,754 2,759 1,766 2,768 18,769 4,772 2,778 2,782 2,789 20,790 4,791 1,792 7,793 3,797 2,803 1,804 2,822 1,823 2,838 1,839 1,855 3,857 1,860 2,862 29,869 3,871 1,874 1,875 1,880 1,885 2,886 4.1,889 2,893 15.167,894 8.569,895 6.639,896 2.781,898 1.91,899 1.281,900 0.97,901 8.101,902 8.71,903 3.75,904 4.266,905 4.748,906 5.245,907 5.623,908 5.636,909 5.881,910 6.07,911 6.095,912 6.182,913 1,914 42,915 10.772,917 4.553,918 7.858,919 20.269,921 16.286,924 2.358,925 68.389,929 223.651,930 170.866,931 21.135,932 78.297,933 50.29,935 31.278,936 139.588,937 352.238,938 21.135,940 28.625,941 111.888,942 59.699,943 9.443,944 13.13,945 282.306,946 39.149,947 223.651,948 160.723,949 50.29,950 109.575,952 200.109,953 73.832,956 28.625,957 132.098,958 78.297,959 31.278,960 223.651,961 71.425,962 249.163,965 223.651,966 58.978,967 115.012,968 18.011,969 128.587,970 223.651,971 71.425,972 249.163,973 0.565,974 0.333,975 0.185,976 0.102,977 17,978 8,979 0.137,980 7,982 1,983 3.957,984 248.461,986 17,987 132.881,989 1,993 21.817,994 10.768,995 5.813,997 71.425,998 22.289,1002 1.419,1003 3.006,1005 18.011,1006 544.239,1007 41.5,1013 25.886,1017 -0.609,1020 49.418,1021 54.375,1022 0.307,1023 0.619,1024 0.794,1025 0.91,1026 0.92,1027 0.92,1028 4.951,1029 1.358,1030 5.765,1031 3.472,1032 4.419,1033 4.952,1034 2.883,1035 6.55,1036 4.315,1037 6.121,1038 1,1039 7.305,1040 3.099,1041 3.892,1042 4.511,1043 2.335,1044 7.473,1045 3.731,1046 7.395,1047 1,1048 8.954,1049 2.275,1050 5.969,1051 7.008,1052 4.013,1053 10.613,1054 5.777,1055 8.704,1056 0.959,1057 10.673,1058 2.136,1059 6.33,1060 7.382,1061 4.105,1062 12.48,1063 6.067,1064 10.045,1065 0.815,1066 12.441,1067 2.134,1068 7.827,1069 9.306,1070 5.347,1071 15.154,1072 7.546,1073 11.408,1074 0.618,1075 14.246,1076 1.908,1077 8.605,1078 10.063,1079 5.728,1080 17.4,1081 8.251,1082 12.788,1083 0.212,1084 16.078,1085 1.372,1086 9.881,1087 11.729,1088 6.757,1089 19.935,1090 9.501,1091 3.248,1092 -0.023,1093 17.931,1094 0.334,1095 10.863,1096 12.695,1097 7.29,1098 22.326,1099 10.413,1100 2.659,1101 11.901,1102 19.802,1103 -0.049,1104 12.057,1105 14.224,1106 8.203,1107 24.818,1108 11.571,1109 2.521,1110 8.444,1111 21.687,1112 3.817,1113 13.138,1114 15.314,1115 8.824,1116 27.263,1117 12.585,1118 2.365,1119 6.968,1120 23.582,1121 3.574,1122 14.307,1123 16.762,1124 9.67,1125 29.743,1126 13.709,1127 2.162,1128 6.333,1129 25.487,1130 3.444,1131 15.434,1132 17.932,1133 10.343,1134 32.207,1135 14.775,1136 1.896,1137 5.868,1138 27.399,1139 3.108,1140 16.599,1141 19.332,1142 11.15,1143 34.683,1144 15.889,1145 1.572,1146 5.249,1147 29.317,1148 2.792,1149 17.75,1150 20.553,1151 11.854,1152 37.155,1153 16.981,1154 9622,1155 17667,1156 20.572,1157 35.898,1158 45.458,1159 47.097,1160 47.083,1161 44.832,1162 44.772,1163 58.769,1164 11.199,1165 122.986,1166 42.197,1167 5.369,1168 5.978,1169 6.798,1170 5.283,1171 5.248,1172 6.817,1173 3.819,1174 19.155,1175 5.082,1176 13.693,1177 1.466,1178 1.519,1179 1.519,1180 1.446,1181 1.444,1182 1.896,1183 0.361,1184 3.967,1185 1.361,1186 3.994,1187 4.021,1188 4.233,1189 3.956,1190 7.432,1191 3.915,1192 3.908,1193 3.94,1194 4,1195 3.856,1196 7.423,1197 3.842,1198 3.83,1199 3.842,1200 3.843,1201 3.823,1202 4.942,1203 3.785,1204 3.585,1205 3.627,1206 3.804,1207 3.415,1208 4.754,1209 3.425,1210 3.499,1211 3.537,1212 3.536,1213 3.309,1214 4.674,1215 3.313,1216 3.233,1217 3.273,1218 3.352,1219 3.078,1220 4.646,1221 3.075,1222 2.926,1223 2.976,1224 3.117,1225 2.798,1226 4.328,1227 2.787,1228 2.854,1229 2.925,1230 2.937,1231 2.735,1232 4.121,1233 2.715,1234 0.143,1235 0.128,1236 0.226,1237 0.135,1238 0.105,1239 4.425,1240 0.123,1241 3.978,1242 0.069,1243 6.996,1244 0.384,1245 4.199,1246 0.099,1247 3.248,1248 3.817,1249 2.149,1250 11.901,1251 3.082,1252 1.922,1253 1.892,1254 2.057,1255 2.024,1256 1.231,1257 2.032,1258 1.898,1259 1.874,1260 1.98,1261 1.993,1262 1.13,1263 1.999,1264 1.653,1265 1.63,1266 1.774,1267 1.808,1268 0.954,1269 1.805,1270 1.458,1271 1.409,1272 1.679,1273 1.652,1274 0.868,1275 1.661,1276 1.425,1277 1.382,1278 1.565,1279 1.572,1280 0.715,1281 1.593,1282 1.327,1283 1.314,1284 1.424,1285 1.44,1286 0.643,1287 1.484,1288 1.016,1289 0.995,1290 1.181,1291 1.172,1292 0.308,1293 1.211,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.143,1302 5.425,1303 2.398,1304 6.901,1305 4.443,1306 8.469,1307 6.293,1308 10.09,1311 11.868,1315 0.935,1317 2.965,1320 -0.807,1321 1.438,1326 33.583,1327 84.575,1328 170.396,1329 218.312,1330 250.366,1331 253.121,1332 253.121,1333 68.413,1334 6.8,1335 49.41,1336 77.65,1337 17,1338 12.429,1339 4.322,1340 3.524,1341 52.023,1342 102,1343 132,1344 0.232,1345 219.726,1346 381.49,1347 527.89,1348 6716,1349 4.1,1350 20.64,1351 0.712,1352 0.617,1353 21.993,1354 17.883,1355 14.097,1356 0.455,1357 0.351,1358 9.163,1359 12.695,1360 8.798,1361 7.257,1362 15.193,1363 10.877,1364 12.017,1365 0.293,1366 0.195,1367 13.213,1368 8.001,1369 9.948,1370 0.188,1371 0.109,1372 11.209,1373 5.768,1374 7.998,1375 0.118,1376 0.06,1377 9.012,1378 4.063,1379 6.219,1380 0.078,1381 0.033,1382 7.054,1383 2.618,1384 0.357,1385 98.294,1386 0.22,1387 27.337,1388 0.66,1389 144,1390 440.716,1391 202.648,1392 506.4,1393 656.64,1394 472,1395 166,1396 401.53,1397 212.589,1398 436.958,1399 636.2,1400 411,1401 5.893}
{0 CHEMBL1442804,1 1.519,2 6.947,3 1.672,4 2.795,5 72.325,6 8.631,7 0.762,8 3.512,9 3.639,10 3.208,11 3.07,12 4.809,13 3.087,14 3.951,15 4.108,16 3.545,17 3.419,18 5.159,19 3.42,20 4.12,21 4.311,22 3.598,23 3.472,24 5.331,25 3.475,26 4.144,27 4.347,28 3.592,29 3.452,30 5.422,31 3.447,32 4.118,33 4.343,34 3.395,35 3.404,36 5.342,37 3.374,38 3.959,39 4.163,40 3.236,41 3.309,42 5.322,43 3.237,44 3.884,45 4.143,46 2.814,47 3.054,48 5.097,49 2.933,50 3.54,51 3.853,52 2.132,53 2.5,54 4.702,55 2.331,56 0.069,57 0.509,58 4.202,59 1.979,60 9.698,61 2.297,62 0.136,63 0.766,64 7.453,65 3.3,66 14.863,67 4.065,68 0.177,69 0.873,70 10.081,71 3.558,72 23.742,73 4.428,74 0.273,75 0.89,76 10.638,77 3.699,78 25.168,79 4.671,80 0.263,81 0.82,82 11.358,83 3.426,84 29.551,85 4.204,86 0.152,87 0.691,88 8.977,89 3.906,90 30.781,91 5.127,92 0.148,93 0.574,94 10.238,95 3.655,96 26.925,97 5.041,98 0.143,99 0.363,100 8.741,101 2.598,102 28.607,103 3.805,104 7,105 29,106 0.283,107 0.694,108 0.763,109 0.812,110 0.83,111 0.83,112 3.013,113 0.816,114 -3.51,115 -3.49,116 -3.33,120 44.8,122 1,143 5,144 1,145 1,147 1,148 1,149 1,159 1,162 1,164 1,165 1,166 1,167 1,174 4,176 2,177 8,179 1,180 1,182 1,185 5,187 1,188 1,189 5,197 2,200 3,201 8,203 3,204 3,206 1,209 2,211 1,213 1,214 3,222 4,226 2,227 3,229 1,230 1,232 2,235 3,237 2,240 4,245 2,247 1,249 2,252 3,257 1,262 1,264 1,274 385,275 13.198,276 13.198,277 13.198,278 13.198,279 13.198,280 11.109,281 14.04,282 8.009,283 13.465,284 10.358,285 10.358,286 10.358,287 10.358,288 10.358,289 7.243,290 15.594,291 3.71,292 10.799,293 3.339,294 1.142,295 0.771,296 0.509,297 0.414,298 0.414,299 3.692,306 1,307 1,308 282,309 2.236,312 34.547,313 93.466,316 66.22,320 1.014,321 16.676,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41,333 132,334 4.739,335 4.058,336 6.98,337 4.262,338 3.304,339 4.718,340 2.517,341 11.876,342 3.166,343 4.034,344 3.376,345 6.144,346 3.617,347 2.651,348 3.611,350 8.868,351 2.56,352 3.586,353 2.777,354 5.195,355 3.057,356 2.111,357 2.889,359 6.095,360 1.994,361 3.455,362 2.334,363 5.041,364 2.936,365 1.978,366 2.806,368 5.652,369 1.893,370 3.277,371 2.026,372 4.23,373 2.449,374 1.482,375 2.098,377 3.591,378 1.428,379 2.918,380 1.538,381 3.764,382 2.24,383 1.304,384 1.947,386 2.93,387 1.218,388 2.653,389 1.384,390 3.468,391 2,392 1,393 1.582,395 2.41,396 1,397 2.5,398 1.019,399 3.247,400 1.959,401 1,402 1.5,404 2.136,405 0.957,406 2.361,407 1,408 3.126,409 1.788,410 0.835,411 1.25,413 1.599,414 0.794,415 1.257,416 0.864,417 2.534,418 0.686,419 -0.238,420 -0.31,422 -0.492,423 -0.22,424 1.067,425 -0.114,426 2.386,427 0.532,428 -0.404,429 -0.607,431 -0.786,432 -0.377,433 0.801,434 -0.498,435 2.25,436 0.33,437 -0.624,438 -0.86,440 -1.474,441 -0.591,442 0.51,443 -0.564,444 1.936,446 -1,447 -1.5,449 -2.347,450 -0.953,451 0.5,452 -1,453 1.659,454 -0.047,455 -1,456 -1.542,458 -2.399,459 -1,460 0.111,461 -1.08,462 1.555,463 -0.322,464 -1.269,465 -1.751,467 -3.265,468 -1.191,469 8.9,470 0.468,471 0.363,472 0.019,473 30.25,474 1.592,475 17.5,476 0.921,477 12.75,478 0.671,479 10.137,480 0.534,481 18.7,482 0.645,483 19.131,484 1.007,485 6.025,486 0.317,487 3.284,488 0.173,489 0.09,491 0.326,496 0.873,497 1.162,498 0.671,499 0.906,500 0.695,501 0.781,502 0.715,503 1.129,504 0.735,505 1.022,506 0.536,507 0.911,508 1.185,509 1.258,510 0.898,511 0.994,512 0.912,513 0.912,514 0.94,515 0.961,516 0.939,517 0.954,518 0.606,519 0.948,520 1.525,521 0.825,522 1.212,523 0.77,524 1.047,525 0.897,526 0.568,527 0.986,528 1.044,529 1.264,530 0.688,531 1.251,532 0.932,533 1.036,534 1.212,535 1.242,536 1.379,537 1.273,538 1.074,539 0.856,540 1.209,541 1.035,542 1.844,543 1.125,544 2.5,546 2,547 1.792,548 1.059,549 0.601,550 0.258,551 0.142,552 0.053,553 0.016,554 2912,555 9153,556 2.113,557 34.5,559 5,561 1,562 2,563 2,567 1.611,568 2,569 2.821,570 0.445,572 1,573 1,574 1,575 44.047,576 1.519,577 3.716,578 4.087,579 4.349,580 4.444,581 4.444,582 2.249,583 3.682,584 4.216,585 2.901,586 496.138,587 7.225,588 4754.34,589 1,590 1,592 1,593 140.881,594 1.324,595 4.189,596 0.119,598 0.069,599 0.06,600 0.037,601 0.025,602 0.013,603 0.012,604 0.011,605 0.016,606 0.36,607 0.67,608 1,609 1.013,610 80.104,611 -0.037,612 -0.061,613 0.031,614 0.004,615 -0.06,616 0.026,617 0.156,618 -0.077,619 0.057,620 -0.092,621 -0.018,622 -0.048,623 -0.163,624 -0.231,625 -0.014,626 -0.085,627 -0.125,628 -0.034,629 0.172,630 0.078,631 -0.026,632 -0.062,633 0.133,634 -0.078,635 -0.417,636 0.186,637 -0.252,638 0.145,639 -0.157,640 0.013,641 0.207,642 -0.052,643 -0.118,644 -0.249,645 0.315,646 -0.247,647 -0.085,648 -0.193,649 -0.12,650 -0.19,651 -0.122,652 -0.168,653 -0.088,654 -0.087,655 0.065,656 0.042,657 -0.22,658 0.075,659 1.325,660 2.869,661 0.789,662 12.199,663 1.013,664 1.132,665 2.281,666 5.205,667 0.709,668 3.091,669 3.401,670 3.738,671 4.078,672 4.304,673 4.382,674 4.466,675 4.489,676 4.369,677 4.205,678 4.312,679 0.696,680 250.29,681 3.091,682 4.615,683 5.485,684 6.382,685 7.28,686 8.192,687 9.1,688 10.017,689 10.931,690 11.85,691 20.7,695 1,699 1,700 1,701 3,708 2,709 6,710 3,714 3,715 1,716 16,728 1,738 29,739 17,740 1,741 21,743 31,744 13,745 11,746 1,747 5,752 3,753 4,766 1,767 1,768 11,769 1,786 1,789 10,790 5,791 2,792 6,797 6,803 0.667,814 1,817 1,822 1,823 2,826 1,833 1,855 2,862 19,863 1,869 1,877 1,882 1,884 1,893 9.5,894 5.333,895 4.306,896 1.605,898 3.241,899 1.488,900 1.02,901 2.772,902 9.877,903 3.466,904 4.09,905 4.774,906 5.476,907 6.046,908 6.435,909 6.899,910 7.3,911 7.507,912 7.718,913 0.8,914 30,915 6.919,917 2.92,918 7.886,919 12.912,921 10.352,924 2.386,925 45.333,929 94.169,930 87.266,931 115.967,936 87.266,937 94.169,938 115.967,940 2.535,941 80.278,942 80.322,943 49.541,944 2.328,945 82.398,947 94.169,948 203.233,952 94.169,956 48.461,957 104.538,958 50.234,960 94.169,961 115.967,962 87.266,965 94.169,966 14.664,967 57.776,968 16.602,969 114.191,970 94.169,971 115.967,972 87.266,973 0.565,974 0.345,975 0.212,976 0.123,977 15,978 6,979 0.065,980 2,981 1,982 1.133,983 3.094,984 145.555,985 0.133,986 15,987 76.711,993 11.491,994 4.583,995 1.876,996 1.261,997 114.191,998 10.986,999 12.604,1003 1.812,1004 1.681,1005 32.897,1006 297.402,1007 31,1020 29.378,1021 32.82,1022 0.313,1023 0.765,1024 0.841,1025 0.895,1026 0.915,1027 0.915,1028 4.682,1029 1,1030 5.46,1031 2.41,1032 4.078,1033 4.775,1034 2.615,1035 6.319,1036 3.995,1037 5.916,1038 0.835,1039 7.038,1040 2.136,1041 3.611,1042 4.559,1044 7.338,1045 3.478,1046 7.237,1047 -0.238,1048 8.729,1049 1.599,1050 5.687,1051 7.081,1052 4.398,1053 10.522,1054 5.522,1055 8.601,1056 -0.404,1057 10.489,1058 -0.492,1059 6.133,1060 7.816,1062 12.439,1063 5.918,1064 10.003,1065 -0.624,1066 12.295,1067 -0.786,1068 7.649,1069 9.747,1070 6.233,1071 15.133,1072 7.402,1073 11.433,1074 -1,1075 14.132,1076 -1.474,1077 8.517,1078 10.934,1080 17.392,1081 8.22,1082 12.888,1083 -1,1084 15.99,1085 -2.347,1086 9.817,1087 12.628,1088 8.077,1089 19.932,1090 9.485,1091 3.304,1092 -1.269,1093 17.865,1094 -2.399,1095 10.871,1096 14.021,1098 22.321,1099 10.491,1100 2.651,1101 11.876,1102 19.753,1103 -3.265,1104 12.093,1105 15.622,1106 9.923,1107 24.813,1108 11.675,1109 2.111,1110 8.868,1111 21.65,1112 4.718,1113 13.226,1114 17.105,1116 27.252,1117 12.762,1118 1.978,1119 6.095,1120 23.555,1121 3.611,1122 14.424,1123 18.672,1124 11.769,1125 29.729,1126 13.918,1127 1.482,1128 5.652,1129 25.465,1130 2.889,1131 15.59,1132 20.194,1134 32.188,1135 15.04,1136 1.304,1137 3.591,1138 27.381,1139 2.806,1140 16.78,1141 21.749,1142 13.615,1143 34.662,1144 16.188,1145 1,1146 2.93,1147 29.301,1148 2.098,1149 17.961,1150 23.287,1152 37.129,1153 17.325,1154 2897,1155 5231,1156 14.216,1157 20.557,1158 32.471,1159 34.5,1160 32.675,1161 31.388,1162 31.328,1163 44.801,1164 5.034,1165 90.311,1166 30.018,1167 5.389,1168 6.058,1169 6.782,1170 5.335,1171 5.304,1172 7.718,1173 5.034,1174 19.281,1175 5.166,1176 7.318,1177 1.546,1178 1.643,1179 1.556,1180 1.495,1181 1.492,1182 2.133,1183 0.24,1184 4.301,1185 1.429,1186 4.126,1187 4.175,1188 4.11,1189 3.974,1190 6.818,1191 4.001,1192 3.822,1193 3.857,1194 3.755,1195 3.748,1196 5.255,1197 3.746,1198 3.467,1199 3.535,1200 3.404,1201 3.281,1202 4.9,1203 3.302,1204 3.224,1205 3.313,1206 3.173,1207 2.953,1208 4.684,1209 2.997,1210 2.973,1211 3.08,1212 2.878,1213 2.735,1214 4.461,1215 2.746,1216 2.854,1217 2.925,1218 2.687,1219 2.719,1220 3.76,1221 2.715,1222 2.756,1223 2.826,1224 2.633,1225 2.56,1226 3.674,1227 2.574,1228 2.429,1229 2.531,1230 2.288,1231 2.174,1232 3.557,1233 2.194,1234 0.226,1235 0.193,1236 0.332,1237 0.203,1238 0.157,1239 4.739,1240 0.225,1241 4.058,1242 0.12,1243 6.98,1244 0.566,1245 4.262,1246 0.151,1247 3.304,1248 4.718,1249 2.517,1250 11.876,1251 3.166,1252 1.917,1253 1.884,1254 2.02,1255 2.052,1256 1.098,1257 2.036,1258 1.805,1259 1.77,1260 1.873,1261 1.941,1262 1.009,1263 1.929,1264 1.482,1265 1.421,1266 1.622,1267 1.697,1268 0.656,1269 1.681,1270 1.11,1271 1.036,1272 1.259,1273 1.412,1274 0.253,1275 1.375,1276 0.886,1277 0.821,1278 1.181,1279 1.187,1280 0.218,1281 1.173,1282 0.853,1283 0.785,1284 1.123,1285 1.062,1286 0.008,1287 1.107,1288 0.749,1289 0.641,1290 0.922,1291 1.012,1293 0.987,1294 0.569,1295 0.492,1296 0.796,1297 0.795,1299 0.819,1300 3.761,1302 5.069,1303 2.398,1304 6.597,1305 4.844,1306 8.23,1307 7.066,1308 9.918,1313 5.865,1315 0.175,1324 8.869,1325 2.081,1326 20.182,1327 44.047,1328 107.762,1329 118.517,1330 126.127,1331 128.881,1332 128.881,1333 23.509,1334 6.636,1335 93.41,1336 93.41,1337 17,1338 12.36,1339 4.17,1340 3.459,1341 27.515,1342 49,1343 50,1344 0.294,1345 127.71,1346 205.92,1347 303.372,1348 5442,1350 13.242,1351 0.697,1352 0.526,1353 13.242,1354 9.985,1355 9.309,1356 0.443,1357 0.272,1358 5.63,1359 8.944,1360 5.529,1361 4.593,1362 9.309,1363 5.715,1364 7.996,1365 0.276,1366 0.137,1367 7.996,1368 3.986,1369 6.932,1370 0.169,1371 0.069,1372 6.932,1373 2.814,1374 6.263,1375 0.108,1376 0.034,1377 6.263,1378 1.993,1379 5.078,1380 0.07,1381 0.018,1382 5.078,1383 1.296,1384 0.432,1385 58.349,1386 0.265,1387 18.46,1388 0.903,1389 100,1390 307.538,1391 110.13,1392 308.64,1393 427.65,1394 288,1395 120,1396 326.054,1397 131.296,1398 330.586,1399 481.87,1400 311,1401 4.511}
{0 CHEMBL1443601,1 1.444,2 7.571,3 2.396,4 5.743,5 74.373,6 9.105,7 0.522,8 3.575,9 3.627,10 3.291,11 3.192,12 4.921,13 3.213,14 4.044,15 4.121,16 3.686,17 3.576,18 5.423,19 3.595,20 4.261,21 4.341,22 3.901,23 3.721,24 5.744,25 3.76,26 4.401,27 4.475,28 3.911,29 3.636,30 6.143,31 3.703,32 4.276,33 4.375,34 3.631,35 3.453,36 5.969,37 3.49,38 4.077,39 4.219,40 3.283,41 3.222,42 5.626,43 3.206,44 3.846,45 4.033,46 3.013,47 2.933,48 5.368,49 2.897,50 3.523,51 3.704,52 2.516,53 2.534,54 4.876,55 2.502,56 0.135,57 0.347,58 3.682,59 2.797,60 22.542,61 2.527,62 0.342,63 0.562,64 7.546,65 4.556,66 45.244,67 4.302,68 0.297,69 0.701,70 9.005,71 5.691,72 54.911,73 5.457,74 0.781,75 0.779,76 12.543,77 6.134,78 137.666,79 4.827,80 0.719,81 0.696,82 12.283,83 5.526,84 139.431,85 4.377,86 0.581,87 0.589,88 11.17,89 4.812,90 102.212,91 4.666,92 0.434,93 0.481,94 10.095,95 4.062,96 70.663,97 4.851,98 0.296,99 0.341,100 7.419,101 2.826,102 49.309,103 2.816,104 28,105 34,106 0.268,107 0.595,108 0.685,109 0.783,110 0.842,111 0.854,112 3.106,113 0.807,114 -3.98,115 -3.93,116 -3.73,120 51.6,125 1,143 6,144 5,145 1,158 2,159 1,174 10,176 1,177 6,182 2,185 12,189 9,194 2,197 10,201 11,204 3,206 2,209 8,213 1,214 6,217 1,219 2,222 8,226 2,227 2,232 2,235 5,239 2,240 4,245 1,247 2,252 4,264 2,274 480,275 14.044,276 14.044,277 14.044,278 14.044,279 14.044,280 12.338,281 8.003,282 7.92,283 14.178,284 11.192,285 11.192,286 11.192,287 11.192,288 11.192,289 8.379,290 5.388,291 3.576,292 11.25,293 3.511,294 1.746,295 1.259,296 0.734,297 0.411,298 0.347,299 3.778,305 1,306 1,307 1,308 337,309 2.828,313 117.606,317 130.541,320 1.17,321 41.292,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47,333 159,334 4.73,335 3.82,336 7.115,337 4.394,338 3.385,339 4.431,340 1.674,341 12.267,342 3.414,343 4.281,344 3.655,345 6.505,346 3.912,347 2.918,348 3.889,350 10.014,351 2.888,352 3.814,353 3.382,354 6.001,355 3.434,356 2.426,357 3.236,359 8.282,360 2.473,361 3.734,362 2.814,363 5.909,364 3.405,365 2.376,366 3.015,368 7.821,369 2.399,370 3.124,371 2.323,372 4.858,373 2.676,374 1.704,375 2.292,377 4.696,378 1.638,379 2.927,380 1.872,381 4.241,382 2.465,383 1.466,384 2.093,386 3.559,387 1.459,388 2.8,389 1.568,390 3.909,391 2.33,392 1.345,393 1.895,395 3.118,396 1.316,397 2.491,398 1.46,399 3.688,400 1.979,401 0.963,402 1.423,404 2.355,405 0.973,406 2.292,407 1.35,408 3.48,409 1.685,410 0.626,411 0.964,413 1.548,414 0.651,415 1.487,416 1.261,417 2.875,418 1.167,419 0.25,420 0.294,422 0.365,423 0.226,424 1.201,425 0.497,426 2.791,427 0.784,428 -0.185,429 -0.233,431 -0.425,432 -0.175,433 1.046,434 0.159,435 2.206,436 0.637,437 -0.382,438 -0.503,440 -1.012,441 -0.386,442 0.925,443 -0.231,444 2.16,445 0.434,446 -0.645,447 -1.024,449 -1.489,450 -0.69,451 0.608,452 -0.41,453 2,454 0.126,455 -0.888,456 -1.31,458 -2.127,459 -0.898,460 0.112,461 -0.71,462 2,463 -0.268,464 -1.29,465 -1.707,467 -2.907,468 -1.261,469 9.667,470 0.46,471 0.614,472 0.029,473 30,474 1.429,475 17,476 0.81,477 13,478 0.619,479 12.75,480 0.607,481 21.533,482 0.695,483 23.783,484 1.133,485 6.277,486 0.299,487 3.781,488 0.18,489 0.19,491 0.466,496 0.7,497 0.882,498 0.623,499 0.865,500 0.64,501 0.759,502 0.714,503 0.768,504 0.654,505 0.758,506 0.624,507 0.705,508 0.806,509 1.118,510 0.622,511 1.081,512 0.858,513 0.87,514 1.264,515 1.078,516 1.029,517 1.053,518 1.385,519 0.979,520 1.381,521 1.03,522 1.265,523 1.027,524 1.426,525 1.078,526 1.048,527 1.039,528 1.235,529 1.065,530 1.078,531 1.176,532 0.639,533 1.055,534 0.903,535 1.076,536 0.583,537 1.089,538 1.331,539 1.062,540 1.355,541 1.075,542 1.237,543 1.18,544 3.5,545 0.012,546 3.333,547 2.5,548 2.093,549 0.938,550 0.466,551 0.24,552 0.074,553 0.041,554 3547,555 12992,556 2.018,557 32.3,559 9,562 1,567 1.64,568 1.826,569 2.897,570 -0.291,572 1,574 1,575 44.751,576 1.444,577 3.208,578 3.696,579 4.22,580 4.543,581 4.607,582 2.416,583 3.785,584 4.364,585 2.968,586 623.275,587 7.518,588 6225.04,589 1,590 1,592 1,593 153.58,594 1.545,595 4.289,596 0.152,597 0.012,598 0.098,599 0.061,600 0.055,601 0.033,602 0.025,603 0.017,604 0.009,605 0.01,606 0.473,607 0.67,608 1,609 1.12,610 91.311,611 -0.069,612 0.06,613 -0.004,614 0.065,615 -0.088,616 0.059,617 0.022,618 0.187,619 0.081,620 0.189,621 -0.009,622 0.167,623 -0.037,624 -0.172,625 0.142,626 -0.143,627 -0.029,628 0.006,629 -0.036,630 -0.113,631 -0.116,632 -0.121,633 -0.057,634 -0.142,635 -0.154,636 -0.058,637 -0.284,638 -0.079,639 -0.105,640 -0.187,641 0.01,642 -0.066,643 -0.177,644 -0.088,645 -0.03,646 -0.171,647 0.273,648 -0.079,649 0.265,650 -0.067,651 0.262,652 0.047,653 -0.241,654 -0.08,655 -0.159,656 -0.074,657 -0.181,658 -0.082,659 2.436,660 5.473,661 0.667,662 13.102,663 1.034,664 1.101,665 2.75,666 7.562,667 0.712,668 3.178,669 3.555,670 3.932,671 4.234,672 4.5,673 4.615,674 4.762,675 4.82,676 4.883,677 4.727,678 4.441,679 0.716,680 282.26,681 3.178,682 4.745,683 5.645,684 6.564,685 7.483,686 8.409,687 9.334,688 10.264,689 11.192,690 12.123,709 6,714 6,716 12,721 2,726 1,734 1,738 31,739 15,740 2,741 23,743 33,744 16,745 12,746 6,747 6,748 3,752 3,753 6,768 15,769 1,772 3,778 3,782 3,785 1,786 1,789 10,790 5,791 1,792 5,803 0.333,804 5,823 3,827 2,855 1,859 1,862 21,868 1,872 1,886 16.1,888 1,889 3,891 1,893 11.5,894 6.117,895 4.667,896 1.724,898 2.722,899 1.387,900 0.96,901 3.02,902 9.754,903 3.497,904 4.127,905 4.808,906 5.404,907 5.968,908 6.291,909 6.723,910 7.009,911 7.376,912 7.578,913 1,914 41,915 7.854,917 3.604,918 8.333,919 13.998,921 11.577,924 2.833,925 59.5,929 105.94,930 101.127,933 129.118,936 101.127,937 235.058,939 10.883,941 56.857,942 135.576,943 26.928,945 105.94,947 105.94,948 101.127,949 129.118,952 105.94,953 129.118,957 101.127,960 105.94,961 129.118,962 101.127,965 105.94,966 33.386,967 67.741,969 129.118,970 105.94,971 129.118,972 101.127,973 0.593,974 0.385,975 0.213,976 0.114,977 18,978 9,979 0.061,980 2,981 2,982 1.286,983 3.092,984 174.065,985 0.286,986 14,987 92.239,993 13.376,994 4.741,995 1.834,997 129.118,998 9.011,1003 -0.22,1005 42.683,1006 336.185,1007 32,1013 36.425,1017 -1.607,1020 32.055,1021 34.123,1022 0.291,1023 0.647,1024 0.746,1025 0.852,1026 0.917,1027 0.93,1028 4.754,1029 0.963,1030 5.673,1031 3.118,1032 4.234,1033 4.812,1034 1.888,1035 6.594,1036 4.234,1037 6,1038 0.626,1039 7.311,1040 2.355,1041 4.007,1042 4.771,1044 7.722,1045 4.025,1046 7.346,1047 0.25,1048 9.052,1049 1.548,1050 5.932,1051 7.071,1052 2.817,1053 10.898,1054 5.942,1055 8.731,1056 -0.185,1057 10.851,1058 0.365,1059 6.524,1060 7.842,1062 12.811,1063 6.55,1064 10.15,1065 -0.382,1066 12.685,1067 -0.425,1068 7.956,1069 9.639,1070 3.808,1071 15.534,1072 7.981,1073 11.592,1074 -0.645,1075 14.543,1076 -1.012,1077 8.897,1078 10.774,1080 17.768,1081 8.934,1082 13.053,1083 -0.888,1084 16.416,1085 -1.489,1086 10.163,1087 12.379,1088 4.825,1089 20.341,1090 10.203,1091 3.385,1092 -1.29,1093 18.302,1094 -2.127,1095 11.253,1096 13.686,1098 22.719,1099 11.304,1100 2.918,1101 12.267,1102 20.198,1103 -2.907,1104 12.467,1105 15.212,1106 5.851,1107 25.24,1108 12.524,1109 2.426,1110 10.014,1111 22.101,1112 4.431,1113 13.62,1114 16.603,1116 27.683,1117 13.688,1118 2.376,1119 8.282,1120 24.011,1121 3.889,1122 14.822,1123 18.098,1124 6.88,1125 30.188,1126 14.898,1127 1.704,1128 7.821,1129 25.927,1130 3.236,1131 16.004,1132 19.53,1134 32.662,1135 16.091,1136 1.466,1137 4.696,1138 27.847,1139 3.015,1140 17.206,1141 21.013,1142 7.91,1143 35.163,1144 17.302,1145 1.345,1146 3.559,1147 29.772,1148 2.292,1149 18.403,1150 22.468,1152 37.652,1153 18.509,1154 3582,1155 6924,1156 14.74,1157 22.08,1158 35.534,1159 38.65,1160 38.193,1161 34.891,1162 34.921,1163 47.066,1164 3.349,1165 108.047,1166 34.876,1167 5.602,1168 5.82,1169 6.794,1170 5.394,1171 5.385,1172 7.431,1173 3.349,1174 20.267,1175 5.414,1176 11.896,1177 1.545,1178 1.68,1179 1.661,1180 1.517,1181 1.518,1182 2.046,1183 0.146,1184 4.698,1185 1.516,1186 4.082,1187 4.085,1188 4.059,1189 4.022,1190 7.438,1191 4.029,1192 3.798,1193 3.814,1194 3.75,1195 3.731,1196 7.43,1197 3.731,1198 3.435,1199 3.444,1200 3.374,1201 3.213,1202 7.419,1203 3.247,1204 3.196,1205 3.213,1206 3.167,1207 3.025,1208 6.466,1209 3.051,1210 3.17,1211 3.186,1212 3.05,1213 2.94,1214 4.698,1215 2.956,1216 2.885,1217 2.926,1218 2.745,1219 2.705,1220 4.548,1221 2.701,1222 2.805,1223 2.822,1224 2.665,1225 2.582,1226 4.408,1227 2.591,1228 2.633,1229 2.656,1230 2.502,1231 2.362,1232 3.635,1233 2.396,1234 0.206,1235 0.166,1236 0.309,1237 0.191,1238 0.147,1239 4.73,1240 0.193,1241 3.82,1242 0.073,1243 7.115,1244 0.533,1245 4.394,1246 0.148,1247 3.385,1248 4.431,1249 1.674,1250 12.267,1251 3.414,1252 2.034,1253 2.029,1254 2.088,1255 2.107,1256 1.232,1257 2.098,1258 1.784,1259 1.767,1260 1.883,1261 1.877,1262 0.988,1263 1.877,1264 1.313,1265 1.299,1266 1.594,1267 1.605,1268 0.583,1269 1.591,1270 1.135,1271 1.099,1272 1.308,1273 1.342,1274 0.374,1275 1.332,1276 1.088,1277 1.065,1278 1.225,1279 1.301,1280 0.262,1281 1.263,1282 0.847,1283 0.801,1284 1.083,1285 1.079,1286 0.105,1287 1.077,1288 0.695,1289 0.674,1290 0.857,1291 1.016,1293 0.954,1294 0.501,1295 0.482,1296 0.676,1297 0.848,1299 0.804,1300 3.85,1302 5.209,1304 6.801,1306 8.502,1308 10.262,1310 1.17,1314 10.176,1318 4.545,1326 22.208,1327 44.751,1328 99.441,1329 114.561,1330 130.825,1331 140.825,1332 142.825,1333 55.141,1334 7.033,1335 80.67,1336 80.67,1337 18,1338 12.625,1339 4,1340 3.322,1341 31.893,1342 56,1343 61,1344 0.3,1345 135.702,1346 246.67,1347 322.874,1348 8925,1350 15.146,1351 0.721,1352 0.526,1353 15.146,1354 11.044,1355 10.058,1356 0.437,1357 0.269,1358 6.088,1359 9.647,1360 5.944,1361 4.907,1362 10.058,1363 6.186,1364 9.057,1365 0.266,1366 0.135,1367 9.057,1368 4.58,1369 8.493,1370 0.17,1371 0.069,1372 8.493,1373 3.471,1374 7.2,1375 0.106,1376 0.036,1377 7.2,1378 2.444,1379 5.763,1380 0.065,1381 0.019,1382 5.763,1383 1.688,1384 0.44,1385 63.771,1386 0.26,1387 19.946,1388 0.921,1389 114,1390 423.092,1391 125.514,1392 398.55,1393 526.38,1394 368,1395 141,1396 368.485,1397 152.628,1398 373.857,1399 555.53,1400 350,1401 5.428}
{0 CHEMBL1443896,1 1.694,2 10.409,3 4.263,4 18.169,5 84.913,6 8.498,7 0.708,8 3.714,9 3.809,10 3.45,11 3.358,12 4.87,13 3.312,14 4.206,15 4.345,16 3.794,17 3.687,18 5.378,19 3.624,20 4.386,21 4.568,22 3.83,23 3.741,24 5.527,25 3.662,26 4.261,27 4.436,28 3.698,29 3.673,30 5.313,31 3.547,32 4.253,33 4.442,34 3.515,35 3.643,36 5.263,37 3.466,38 4.259,39 4.487,40 3.305,41 3.527,42 5.122,43 3.344,44 4.217,45 4.482,46 3.185,47 3.317,48 5.168,49 3.174,50 3.939,51 4.177,52 3.172,53 3.12,54 5.002,55 3.072,56 0.024,57 0.569,58 6.324,59 3.565,60 5.078,61 4.051,62 0.143,63 0.933,64 14.893,65 6.223,66 16.429,67 6.837,68 0.32,69 1.118,70 20.51,71 7.402,72 35.147,73 7.59,74 0.218,75 0.99,76 16.833,77 6.687,78 25.649,79 7.202,80 0.319,81 0.908,82 20.04,83 7.554,84 27.912,85 8.49,86 0.136,87 0.87,88 18.954,89 7.457,90 19.635,91 9.002,92 0.283,93 0.834,94 19.679,95 6.892,96 35.246,97 8.326,98 0.294,99 0.677,100 14.227,101 4.677,102 29.672,103 5.162,104 5,105 32,106 0.304,107 0.597,108 0.747,109 0.844,110 0.854,111 0.854,112 3.145,113 0.994,114 -5.23,115 -5.12,116 -4.79,120 45.9,121 1,126 2,143 8,144 1,145 2,147 1,148 1,150 1,174 6,176 1,177 8,185 7,189 6,197 5,201 4,209 5,213 1,214 2,222 5,227 1,235 3,239 1,240 5,247 2,252 3,260 4,264 2,271 8,274 636,275 14.999,276 14.999,277 14.999,278 14.999,279 14.999,280 12.912,281 11.207,282 9.116,283 15.548,284 11.881,285 11.881,286 11.881,287 11.881,288 11.881,289 8.814,290 9.697,291 4.377,292 12.799,293 3.516,294 1.882,295 1.047,296 0.507,297 0.453,298 0.453,299 3.832,306 1,307 1,308 495,309 2.646,313 186.191,317 96.889,320 1.463,321 19.724,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 47.5,333 229,334 4.528,335 4.434,336 6.531,337 4.022,338 3.071,339 4.469,340 2.95,341 10.313,342 2.925,343 4.011,344 3.07,345 5.412,346 3.566,347 2.618,348 3.614,349 0.86,350 7.154,351 2.471,352 3.576,353 2.969,354 5.227,355 3.108,356 2.169,357 3.009,359 6.337,360 2.036,361 3.487,362 2.702,363 5.016,364 3.043,365 2.144,366 2.86,368 5.943,369 1.906,370 3.422,371 2.472,372 4.889,373 2.988,374 2.084,375 2.707,377 5.695,378 1.869,379 2.889,380 2.328,381 3.91,382 2.39,383 1.463,384 2.077,386 3.313,387 1.383,388 2.637,389 1.47,390 3.615,391 2.365,392 1.399,393 1.662,395 2.989,396 1.295,397 2.5,398 1.418,399 3.502,400 2,401 1.022,402 1.5,404 2.482,405 1,406 2.362,407 1.288,408 3.414,409 1.965,410 1,411 1.329,413 2.275,414 0.952,415 1.659,416 1,417 2.968,418 1.306,419 0.471,420 0.541,422 1.075,423 0.386,424 1.263,425 0.517,426 2.622,427 0.845,428 -0.063,429 -0.078,431 -0.146,432 -0.055,433 1.057,434 0.384,435 2.37,436 0.669,437 -0.243,438 -0.305,440 -0.556,441 -0.219,442 0.9,443 -0.038,444 2.141,445 0.407,446 -0.515,447 -0.656,449 -1.334,450 -0.462,451 0.524,452 -0.347,453 2,454 0.159,455 -0.765,456 -0.986,458 -1.847,459 -0.701,460 0.5,461 -0.648,462 2,464 -1,465 -1.28,467 -2.428,468 -0.948,469 10.752,470 0.489,471 0.452,472 0.021,473 30.75,474 1.398,475 17,476 0.773,477 13.75,478 0.625,479 15.233,480 0.692,481 22.848,482 0.618,483 19.064,484 0.867,485 5.993,486 0.272,487 4.728,488 0.215,489 0.073,491 0.279,494 1,496 0.645,497 0.985,498 0.684,499 0.91,500 0.573,501 0.873,502 0.868,503 1.067,504 0.991,505 1.11,506 0.612,507 0.953,508 1.369,509 0.966,510 1.139,511 0.952,512 1.113,513 0.873,514 1.093,515 1.015,516 1.22,517 1.104,518 0.995,519 1.11,520 0.407,521 0.859,522 1.517,523 1.383,524 0.35,525 1.279,526 0.548,527 0.934,528 1.181,529 1.271,530 0.446,531 1.255,532 0.957,533 0.816,534 0.925,535 0.894,536 0.894,537 0.882,538 1.506,539 0.725,540 0.656,541 0.503,542 1.261,543 0.533,544 4,545 0.078,546 2,547 1.125,548 1.089,549 0.354,550 0.262,551 0.161,552 0.156,553 0.117,554 5560,555 16994,556 2.097,557 40.5,559 12,563 3,567 1.638,568 2,569 3.312,570 -0.762,572 1,575 62.66,576 1.694,577 3.327,578 4.162,579 4.703,580 4.757,581 4.757,582 2.677,583 3.971,584 4.434,585 3.485,586 805.025,587 7.582,588 9249.45,590 1,592 1,593 192.75,594 1.241,595 4.407,596 0.167,597 0.005,598 0.063,599 0.036,600 0.044,601 0.017,602 0.015,603 0.01,604 0.009,605 0.006,606 0.372,607 0.33,608 1,609 0.517,610 103.211,611 -0.013,612 -0.082,613 0.064,614 -0.005,615 -0.047,616 0.004,617 -0.007,618 -0.146,619 0.002,620 -0.1,621 0.058,622 -0.032,623 -0.199,624 0.057,625 -0.051,626 0.072,627 -0.113,628 0.052,629 -0.166,630 -0.029,631 -0.119,632 -0.046,633 -0.153,634 -0.164,635 0.204,636 -0.023,637 -0.268,638 -0.221,639 0.11,640 -0.261,641 0.023,642 -0.18,643 -0.118,644 -0.232,645 0.009,646 -0.208,647 0.045,648 0.043,649 0.115,650 0.09,651 0.015,652 0.169,653 -0.162,654 0.226,655 0.243,656 0.383,657 -0.109,658 0.441,659 1.926,660 4.809,661 0.727,662 17.273,663 1.008,664 1.118,665 4.005,666 16.037,667 0.713,668 3.219,669 3.497,670 3.714,671 3.951,672 4.174,673 4.078,674 4.043,675 4.078,676 4.127,677 4.043,678 6.164,679 0.676,680 314.41,681 3.219,682 4.727,683 5.549,684 6.402,685 7.242,686 8.1,687 8.947,688 9.807,689 10.658,690 11.52,691 5.4,701 2,708 2,709 8,710 2,714 4,716 17,735 1,737 1,738 37,739 17,740 2,741 24,743 39,744 17,745 14,746 4,747 8,752 3,753 4,759 1,768 14,769 3,786 1,787 1,789 15,790 4,792 5,793 1,797 2,803 0.667,804 1,817 1,823 3,827 1,855 2,856 1,857 1,859 1,861 1,862 22,869 2,872 1,873 1,885 1,886 2.7,891 1,893 11,894 7.043,895 4.889,896 2.166,898 3.25,899 1.478,900 0.991,901 4.667,902 10.052,903 3.512,904 4.127,905 4.712,906 5.305,907 5.879,908 5.996,909 6.222,910 6.517,911 6.809,912 6.52,913 0.857,914 31,915 8.105,917 3.368,918 7.788,919 15.426,921 12.289,924 2.288,925 50.333,929 176.567,930 144.878,931 33.571,933 11,934 14.96,935 32.22,936 112.659,937 187.566,938 48.531,939 8.825,940 5.492,941 75.81,942 33.571,943 32.409,944 16.082,945 208.786,947 176.567,948 146.23,949 25.96,950 32.22,952 193.855,953 11,956 16.461,957 93.869,958 33.571,959 32.22,960 191.527,961 44.571,962 144.878,965 176.567,966 60.243,967 84.635,969 59.531,970 176.567,971 59.531,972 144.878,973 0.57,974 0.322,975 0.177,976 0.103,977 15,978 6,979 0.128,980 5,981 1,982 1.125,983 3.576,984 162.799,985 0.125,986 16,987 94.107,989 1,993 14.955,994 6.866,995 3.832,996 2.011,997 59.531,998 14.018,999 8.933,1003 2.141,1006 380.976,1007 32.5,1020 37.305,1021 41.372,1022 0.325,1023 0.639,1024 0.799,1025 0.903,1026 0.913,1027 0.913,1028 4.703,1029 1.022,1030 5.501,1031 2.989,1032 4.174,1033 4.812,1034 2.99,1035 6.244,1036 4.039,1037 5.901,1038 1,1039 7.011,1040 2.482,1041 3.611,1042 4.559,1044 7.002,1045 3.403,1046 7.193,1047 0.471,1048 8.621,1049 2.275,1050 5.694,1051 7.053,1052 5.034,1053 10.093,1054 5.444,1055 8.523,1056 -0.063,1057 10.291,1058 1.075,1059 5.943,1060 7.644,1062 11.736,1063 5.625,1064 9.886,1065 -0.243,1066 12.004,1067 -0.146,1068 7.482,1069 9.596,1070 7.185,1071 14.34,1072 7.137,1073 11.272,1074 -0.515,1075 13.747,1076 -0.556,1077 8.149,1078 10.622,1080 16.378,1081 7.744,1082 12.679,1083 -0.765,1084 15.514,1085 -1.334,1086 9.442,1087 12.325,1088 9.348,1089 18.813,1090 9.011,1091 3.071,1092 -1,1093 17.3,1094 -1.847,1095 10.331,1096 13.583,1098 21.023,1099 9.844,1100 2.618,1101 10.313,1102 19.102,1103 -2.428,1104 11.515,1105 15.169,1106 11.511,1107 23.397,1108 10.998,1109 2.169,1110 7.154,1111 20.916,1112 4.469,1113 12.518,1114 16.547,1116 25.678,1117 11.947,1118 2.144,1119 6.337,1120 22.742,1121 3.614,1122 13.656,1123 18.08,1124 13.675,1125 28.028,1126 13.05,1127 2.084,1128 5.943,1129 24.577,1130 3.009,1131 14.716,1132 19.518,1134 30.339,1135 14.058,1136 1.463,1137 5.695,1138 26.419,1139 2.86,1140 15.837,1141 21.028,1142 15.838,1143 32.68,1144 15.139,1145 1.399,1146 3.313,1147 28.268,1148 2.707,1149 16.925,1150 22.495,1152 35.003,1153 16.177,1154 5342,1155 9461,1156 16.296,1157 26.381,1158 35.058,1159 38.342,1160 35.633,1161 34.923,1162 34.882,1163 47.535,1164 7.62,1165 95.151,1166 32.45,1167 5.425,1168 6.434,1169 6.216,1170 5.164,1171 5.071,1172 7.469,1173 5.9,1174 17.261,1175 4.925,1176 8.542,1177 1.461,1178 1.598,1179 1.485,1180 1.455,1181 1.453,1182 1.981,1183 0.318,1184 3.965,1185 1.352,1186 4.054,1187 4.083,1188 4.114,1189 3.986,1190 8.201,1191 3.982,1192 3.9,1193 3.923,1194 3.851,1195 3.811,1196 5.04,1197 3.815,1198 3.514,1199 3.564,1200 3.68,1201 3.441,1202 4.799,1203 3.386,1204 3.442,1205 3.5,1206 3.356,1207 3.28,1208 4.473,1209 3.269,1210 3.069,1211 3.119,1212 3.087,1213 2.95,1214 4.239,1215 2.934,1216 2.9,1217 2.974,1218 2.812,1219 2.752,1220 4.004,1221 2.738,1222 2.883,1223 2.925,1224 2.731,1225 2.735,1226 3.698,1227 2.722,1228 2.854,1229 2.925,1230 2.687,1231 2.711,1232 3.674,1233 2.715,1234 0.189,1235 0.185,1236 0.272,1237 0.168,1238 0.128,1239 4.528,1240 0.186,1241 4.434,1242 0.123,1243 6.531,1244 0.43,1245 4.022,1246 0.122,1247 3.071,1248 4.469,1249 2.95,1250 10.313,1251 2.925,1252 2.007,1253 1.984,1254 2.072,1255 2.101,1256 1.193,1257 2.098,1258 1.864,1259 1.842,1260 1.969,1261 1.976,1262 1.056,1263 1.974,1264 1.491,1265 1.447,1266 1.697,1267 1.657,1268 0.973,1269 1.686,1270 1.418,1271 1.356,1272 1.671,1273 1.624,1274 0.737,1275 1.65,1276 1.057,1277 1.008,1278 1.252,1279 1.225,1280 0.382,1281 1.257,1282 0.904,1283 0.837,1284 1.181,1285 1.094,1286 0.218,1287 1.121,1288 0.886,1289 0.821,1290 1.162,1291 1.062,1292 0.205,1293 1.107,1294 0.799,1295 0.768,1296 0.983,1297 1.031,1298 0.118,1299 1.015,1300 3.892,1302 5.176,1304 6.661,1306 8.243,1308 9.879,1310 1.894,1312 12.809,1315 1.297,1318 5.594,1319 1.636,1326 25.016,1327 62.66,1328 123.098,1329 153.995,1330 173.995,1331 175.995,1332 175.995,1333 31.132,1334 6.802,1335 35.01,1336 60.31,1337 18,1338 12.071,1339 4.17,1340 3.248,1341 34.757,1342 82,1343 82,1344 0.205,1345 158.155,1346 267.13,1347 377.658,1348 8278,1349 2.7,1350 15.364,1351 0.698,1352 0.588,1353 14.847,1354 12.938,1355 10.72,1356 0.447,1357 0.331,1358 6.965,1359 9.867,1360 6.695,1361 5.535,1362 10.781,1363 7.953,1364 9.455,1365 0.295,1366 0.182,1367 9.417,1368 5.828,1369 7.556,1370 0.189,1371 0.101,1372 7.793,1373 4.04,1374 6.244,1375 0.122,1376 0.058,1377 6.84,1378 2.982,1379 5.263,1380 0.082,1381 0.033,1382 5.681,1383 2.113,1384 0.329,1385 71.454,1386 0.248,1387 22.14,1388 0.541,1389 112,1390 387.997,1391 146.376,1392 369.383,1393 499.3,1394 348,1395 128,1396 347.479,1397 157.157,1398 356.778,1399 520.36,1400 337,1401 4.412}
{0 CHEMBL1443946,1 1.378,2 8.045,3 4.026,4 16.205,5 88.625,6 7.26,7 0.68,8 3.793,9 3.905,10 3.357,11 3.409,12 4.857,13 3.373,14 4.318,15 4.481,16 3.71,17 3.817,18 5.303,19 3.759,20 4.605,21 4.809,22 3.803,23 3.972,24 5.561,25 3.883,26 4.656,27 4.883,28 3.669,29 3.942,30 5.55,31 3.823,32 4.636,33 4.882,34 3.512,35 3.88,36 5.477,37 3.731,38 4.537,39 4.798,40 3.405,41 3.771,42 5.356,43 3.618,44 4.374,45 4.62,46 3.383,47 3.669,48 5.241,49 3.543,50 4.26,51 4.489,52 3.183,53 3.489,54 5.243,55 3.357,56 0.038,57 0.546,58 8.249,59 3.713,60 7.671,61 4.876,62 0.086,63 0.936,64 14.919,65 6.156,66 11.504,67 8.376,68 0.183,69 1.204,70 21.226,71 8.536,72 24.596,73 11.788,74 0.166,75 1.255,76 22.981,77 9.011,78 24.175,79 12.514,80 0.196,81 1.203,82 23.111,83 9.274,84 26.792,85 12.913,86 0.204,87 1.056,88 21.383,89 8.743,90 26.373,91 12.269,92 0.109,93 0.923,94 17.593,95 7.187,96 16.556,97 10.109,98 0.119,99 0.807,100 15.701,101 6.235,102 22.264,103 8.495,104 2,105 35,106 0.242,107 0.591,108 0.778,109 0.883,110 0.901,111 0.901,112 3.148,113 0.925,114 -4.62,115 -4.54,116 -4.28,120 47.5,122 2,126 2,143 8,144 3,145 2,146 1,147 1,174 11,177 6,182 1,185 10,189 8,192 1,194 2,197 8,201 4,206 2,209 8,213 1,214 1,219 1,222 11,230 1,235 13,240 3,247 11,252 3,257 3,260 5,264 1,269 3,271 1,274 560,275 15.345,276 15.345,277 15.345,278 15.345,279 15.345,280 13.286,281 15.771,282 9.126,283 15.536,284 12.364,285 12.364,286 12.364,287 12.364,288 12.364,289 9.337,290 20.073,291 4.31,292 12.703,293 3.944,294 1.963,295 0.9,296 0.3,297 0.2,298 0.2,299 3.853,305 1,306 1,307 1,308 395,309 2.121,313 183.5,317 157.082,320 1.054,321 12.818,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46,333 177,334 4.582,335 3.341,336 6.684,337 4.127,338 3.15,339 4.533,340 0.916,341 10.784,342 3.08,343 4.304,344 3.158,345 6.501,346 3.971,347 3.003,348 3.87,349 0.172,350 10.174,351 2.909,352 3.67,353 2.606,354 5.632,355 3.296,356 2.329,357 3.085,359 7.331,360 2.244,361 3.362,362 2.266,363 5.172,364 2.975,365 2.015,366 2.721,368 6.062,369 1.928,370 3.193,371 1.953,372 4.649,373 2.807,374 1.837,375 2.366,377 4.786,378 1.78,379 2.944,380 1.722,381 4.151,382 2.614,383 1.618,384 2.102,386 3.774,387 1.612,388 2.78,389 1.319,390 3.71,391 2.272,392 1.288,393 1.919,395 2.867,396 1.267,397 2.591,398 1.295,399 3.595,400 2.26,401 1.27,402 1.617,404 2.834,405 1.256,406 2.45,407 1.131,408 3.585,409 2.01,410 1.048,411 1.432,413 2.594,414 1.005,415 2.152,416 0.947,417 3.327,418 1.849,419 0.876,420 1.093,422 2.057,423 0.85,424 1.562,425 0.615,426 2.951,427 1.266,428 0.306,429 0.365,431 0.73,432 0.291,433 1.03,434 0.035,435 2.562,436 0.747,437 -0.215,438 -0.251,440 -0.523,441 -0.205,442 0.899,443 -0.39,444 2.351,445 0.417,446 -0.55,447 -0.73,449 -1.386,450 -0.53,451 0.682,452 -0.485,453 2.282,454 0.357,455 -0.618,456 -0.754,458 -1.478,459 -0.6,460 0.604,461 -0.662,462 2,463 0.201,464 -0.78,465 -1.026,467 -2,468 -0.762,469 10.633,470 0.483,471 0.432,472 0.02,473 31,474 1.409,475 17,476 0.773,477 14,478 0.636,479 15.443,480 0.702,481 22.367,482 0.559,483 19.782,484 0.899,485 6,486 0.273,487 4.827,488 0.219,489 0.031,491 0.32,496 0.93,497 1.142,498 0.809,499 0.945,500 0.905,501 0.881,502 0.897,503 1.111,504 0.92,505 0.976,506 0.611,507 0.944,508 0.847,509 1.103,510 0.944,511 1.019,512 0.706,513 0.993,514 1.003,515 1.101,516 1.09,517 1.09,518 0.81,519 1.09,520 0.878,521 0.957,522 1.08,523 1.05,524 0.877,525 1.078,526 0.695,527 0.868,528 0.91,529 0.914,530 0.871,531 0.937,532 0.663,533 0.906,534 0.873,535 0.927,536 0.642,537 0.917,538 1.225,539 1.129,540 1.136,541 1.164,542 1.384,543 1.148,544 3,545 0.012,546 2.667,547 1.438,548 1.102,549 0.479,550 0.286,551 0.236,552 0.159,553 0.068,554 4981,555 11289,556 2.205,557 45,558 2,559 12,561 1,562 1,564 2,567 1.648,568 2.129,569 3.039,570 -0.399,572 1,575 55.108,576 1.378,577 3.359,578 4.422,579 5.022,580 5.122,581 5.122,582 2.379,583 3.971,584 4.438,585 3.134,586 723.925,587 7.635,588 7765.08,590 1,591 1,592 1,593 212.877,594 1.143,595 4.418,596 0.12,597 0.006,598 0.076,599 0.039,600 0.036,601 0.018,602 0.012,603 0.01,604 0.009,605 0.008,606 0.333,607 0.83,608 1,609 0.405,610 99.255,611 -0.046,612 -0.079,613 0.051,614 0.028,615 -0.062,616 0.041,617 -0.062,618 -0.035,619 -0.021,620 -0.025,621 0.013,622 -0.018,623 0.079,624 -0.085,625 0.001,626 -0.057,627 0.109,628 -0.04,629 -0.081,630 -0.095,631 -0.127,632 -0.131,633 -0.006,634 -0.13,635 -0.028,636 0.008,637 -0.106,638 -0.072,639 -0.062,640 -0.092,641 0.098,642 0.052,643 0.076,644 0.088,645 -0.02,646 0.077,647 0.026,648 0.056,649 0.091,650 0.061,651 0.033,652 0.082,653 -0.079,654 -0.176,655 -0.149,656 -0.191,657 -0.092,658 -0.179,659 1.418,660 3.983,661 0.909,662 13.273,663 0.99,664 1.113,665 3.394,666 11.52,667 0.689,668 3.258,669 3.584,670 3.912,671 4.205,672 4.466,673 4.466,674 4.595,675 4.718,676 4.844,677 4.762,678 4.996,679 0.649,680 290.39,681 3.258,682 4.796,683 5.666,684 6.553,685 7.438,686 8.329,687 9.218,688 10.11,689 11.001,690 11.893,691 5,697 1,701 1,708 2,709 9,710 1,714 4,716 17,732 1,734 1,738 40,739 17,740 2,741 25,743 43,744 19,745 15,746 6,747 6,752 4,753 6,763 2,766 2,768 15,769 4,786 1,789 18,790 3,791 1,792 3,797 2,803 0.5,804 1,816 1,823 4,827 2,855 2,862 22,868 1,869 4,875 1,886 2.5,888 1,893 10.333,894 7.1,895 4.806,896 2.5,898 3.429,899 1.467,900 1.015,901 3.376,902 10.771,903 3.541,904 4.174,905 4.82,906 5.425,907 5.993,908 6.182,909 6.55,910 6.914,911 7.32,912 7.339,913 1,914 37,915 8.134,917 3.503,918 7.545,919 15.97,921 13.611,924 2.045,925 45,926 0.001,928 1,929 200.109,930 107.983,931 19.91,933 42.683,936 107.983,937 242.792,938 19.91,940 9.28,941 75.81,942 71.24,943 26.017,945 188.338,947 200.109,948 127.893,949 42.683,952 176.567,953 66.226,956 20.472,957 90.635,958 16.786,960 200.109,961 62.593,962 107.983,965 200.109,966 23.125,967 87.982,969 59.469,970 200.109,971 62.593,972 107.983,973 0.578,974 0.353,975 0.204,976 0.113,977 19,978 7,979 0.047,980 2,981 2,982 1.2,983 3.456,984 183.089,985 0.2,986 20,987 98.107,993 13.443,994 5.525,995 2.424,996 1.718,997 62.593,998 18.088,999 4.31,1003 4.213,1005 42.683,1006 370.685,1007 33.5,1020 39.6,1021 44.528,1022 0.259,1023 0.631,1024 0.831,1025 0.944,1026 0.962,1027 0.962,1028 4.764,1029 1.27,1030 5.638,1031 2.867,1032 4.263,1033 4.86,1034 0.918,1035 6.469,1036 4.209,1037 5.967,1038 1.048,1039 7.203,1040 2.834,1041 3.761,1042 4.62,1043 0.325,1044 7.413,1045 3.663,1046 7.276,1047 0.876,1048 8.874,1049 2.594,1050 5.861,1051 7.117,1052 0.671,1053 10.555,1054 5.753,1055 8.626,1056 0.306,1057 10.611,1058 2.057,1059 6.236,1060 7.776,1061 0.393,1062 12.357,1063 6.085,1064 10.013,1065 -0.215,1066 12.391,1067 0.73,1068 7.768,1069 9.706,1070 0.533,1071 14.996,1072 7.607,1073 11.427,1074 -0.55,1075 14.198,1076 -0.523,1077 8.558,1078 10.799,1079 0.384,1080 17.129,1081 8.36,1082 12.861,1083 -0.618,1084 16.026,1085 -1.386,1086 9.852,1087 12.484,1088 0.438,1089 19.594,1090 9.64,1091 3.15,1092 -0.78,1093 17.867,1094 -1.478,1095 10.833,1096 13.789,1097 0.351,1098 21.859,1099 10.589,1100 3.003,1101 10.784,1102 19.718,1103 -2,1104 12.028,1105 15.367,1106 0.366,1107 24.261,1108 11.766,1109 2.329,1110 10.174,1111 21.578,1112 4.533,1113 13.095,1114 16.774,1115 0.312,1116 26.58,1117 12.804,1118 2.015,1119 7.331,1120 23.443,1121 3.87,1122 14.25,1123 18.306,1124 0.309,1125 28.957,1126 13.939,1127 1.837,1128 6.062,1129 25.312,1130 3.085,1131 15.354,1132 19.763,1133 0.273,1134 31.299,1135 15.016,1136 1.618,1137 4.786,1138 27.186,1139 2.721,1140 16.494,1141 21.277,1142 0.262,1143 33.667,1144 16.135,1145 1.288,1146 3.774,1147 29.062,1148 2.366,1149 17.614,1150 22.758,1151 0.236,1152 36.02,1153 17.229,1154 4650,1155 7101,1156 17.394,1157 27.557,1158 37.699,1159 37.692,1160 38.313,1161 37.512,1162 37.477,1163 50.204,1164 2.178,1165 107.988,1166 36.443,1167 5.531,1168 5.341,1169 6.373,1170 5.165,1171 5.15,1172 7.533,1173 1.605,1174 17.988,1175 5.08,1176 5.734,1177 1.508,1178 1.508,1179 1.533,1180 1.5,1181 1.499,1182 2.008,1183 0.087,1184 4.32,1185 1.458,1186 4.095,1187 4.122,1188 4.054,1189 4.021,1190 6.47,1191 4.026,1192 3.963,1193 3.997,1194 3.901,1195 3.891,1196 4.93,1197 3.889,1198 3.528,1199 3.59,1200 3.412,1201 3.402,1202 4.747,1203 3.395,1204 3.454,1205 3.505,1206 3.334,1207 3.347,1208 4.343,1209 3.336,1210 3.255,1211 3.312,1212 3.134,1213 3.091,1214 4.089,1215 3.096,1216 2.971,1217 3.032,1218 2.853,1219 2.817,1220 3.871,1221 2.815,1222 2.772,1223 2.847,1224 2.61,1225 2.64,1226 3.753,1227 2.625,1228 2.71,1229 2.792,1230 2.546,1231 2.574,1232 3.468,1233 2.561,1234 0.183,1235 0.134,1236 0.267,1237 0.165,1238 0.126,1239 4.582,1240 0.181,1241 3.341,1242 0.037,1243 6.684,1244 0.431,1245 4.127,1246 0.123,1247 3.15,1248 4.533,1249 0.916,1250 10.784,1251 3.08,1252 2.049,1253 2.026,1254 2.132,1255 2.142,1256 1.38,1257 2.14,1258 1.954,1259 1.923,1260 2.067,1261 2.052,1262 1.244,1263 2.059,1264 1.534,1265 1.475,1266 1.766,1267 1.693,1268 0.933,1269 1.72,1270 1.459,1271 1.412,1272 1.649,1273 1.601,1274 0.773,1275 1.621,1276 1.226,1277 1.171,1278 1.461,1279 1.439,1280 0.606,1281 1.449,1282 0.957,1283 0.897,1284 1.249,1285 1.168,1286 0.46,1287 1.191,1288 0.782,1289 0.72,1290 1.081,1291 0.994,1292 0.167,1293 1.016,1294 0.718,1295 0.646,1296 1.004,1297 0.946,1298 0.094,1299 0.989,1300 3.932,1302 5.252,1304 6.799,1306 8.449,1308 10.149,1314 9.983,1315 4.259,1321 2.428,1326 25.972,1327 55.108,1328 134.348,1329 176.877,1330 200.877,1331 204.877,1332 204.877,1333 26.043,1334 7.342,1335 36.36,1336 36.36,1337 24,1338 12.421,1339 4.17,1340 3.248,1341 29.784,1342 67,1343 54,1344 0.224,1345 157.617,1346 264.79,1347 376.346,1348 15359,1350 14.941,1351 0.679,1352 0.562,1353 14.941,1354 12.366,1355 10.826,1356 0.433,1357 0.308,1358 7.652,1359 10.595,1360 7.488,1361 6.18,1362 10.826,1363 7.712,1364 9.562,1365 0.273,1366 0.166,1367 9.562,1368 5.797,1369 8.533,1370 0.174,1371 0.09,1372 8.533,1373 4.406,1374 7.431,1375 0.113,1376 0.051,1377 7.431,1378 3.336,1379 6.377,1380 0.074,1381 0.029,1382 6.377,1383 2.454,1384 0.34,1385 66.565,1386 0.24,1387 21.25,1388 0.647,1389 120,1390 283.44,1391 126.239,1392 283.897,1393 401.48,1394 268,1395 144,1396 305.312,1397 151.211,1398 313.345,1399 461.22,1400 297,1401 4.538}
{0 CHEMBL1444045,1 1.988,2 9.739,3 3.083,4 9.502,5 85.746,6 9.525,7 0.64,8 3.706,9 3.804,10 3.521,11 3.247,12 4.998,13 3.25,14 4.189,15 4.329,16 3.919,17 3.6,18 5.494,19 3.587,20 4.304,21 4.447,22 4.019,23 3.654,24 5.663,25 3.64,26 4.318,27 4.473,28 3.878,29 3.586,30 5.631,31 3.579,32 4.261,33 4.449,34 3.675,35 3.559,36 5.491,37 3.517,38 4.278,39 4.485,40 3.706,41 3.47,42 5.596,43 3.45,44 4.133,45 4.33,46 3.566,47 3.26,48 5.608,49 3.231,50 3.73,51 3.905,52 3.108,53 3.051,54 4.934,55 2.978,56 0.168,57 0.646,58 4.283,59 3.109,60 9.149,61 3.026,62 0.464,63 0.995,64 12.384,65 5.214,66 34.844,67 5.101,68 0.482,69 1.121,70 17.392,71 6.335,72 39.756,73 5.626,74 0.625,75 1.049,76 15.238,77 5.083,78 67.281,79 4.434,80 0.468,81 0.955,82 14.849,83 5.167,84 34.861,85 5.676,86 0.517,87 0.943,88 13.694,89 5.013,90 43.769,91 5.87,92 0.667,93 0.832,94 14.424,95 4.217,96 53.046,97 4.234,98 0.216,99 0.599,100 8.695,101 3.657,102 17.859,103 3.76,104 21,105 35,106 0.36,107 0.715,108 0.817,109 0.838,110 0.838,111 0.838,112 3.189,113 0.906,114 -4.22,115 -4.17,116 -3.94,120 40,121 1,125 1,128 1,143 4,145 2,147 1,148 1,149 1,159 1,162 1,167 2,174 2,176 4,177 3,185 3,188 3,189 9,197 2,200 2,201 10,213 2,214 5,226 2,227 5,235 2,239 6,240 2,247 2,260 2,264 4,271 2,274 691,275 15.508,276 15.508,277 15.508,278 15.508,279 15.508,280 13.515,281 13.538,282 8.998,283 16.152,284 12.231,285 12.231,286 12.231,287 12.231,288 12.231,289 9.163,290 9.156,291 4.152,292 13.187,293 3.141,294 1.179,295 0.615,296 0.5,297 0.5,298 0.5,299 3.867,305 1,306 1,307 1,308 471,309 3.317,312 46.478,313 125.41,316 89.69,320 1.664,321 30.475,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 52,333 224,334 4.656,335 4.652,336 6.817,337 4.159,338 3.22,339 4.614,340 3.42,341 11.284,342 3.023,343 4.092,344 3.73,345 6.113,346 3.702,347 2.778,348 3.694,349 2.218,350 8.878,351 2.561,352 3.886,353 3.211,354 5.839,355 3.554,356 2.593,357 3.186,358 0.277,359 7.809,360 2.472,361 3.669,362 2.917,363 5.228,364 3.215,365 2.289,366 3.003,368 6.347,369 2.098,370 3.236,371 2.783,372 4.937,373 2.758,374 1.847,375 2.506,377 5.534,378 1.662,379 3.047,380 2.238,381 4.263,382 2.467,383 1.547,384 2.32,386 3.741,387 1.421,388 2.577,389 1.548,390 4.03,391 2.184,392 1.294,393 1.602,395 3.278,396 1.124,397 2.5,398 1.461,399 3.814,400 2.032,401 1.07,402 1.5,404 2.773,405 1.022,406 2.498,407 1.3,408 3.414,409 2,410 1,411 1.462,413 2.275,414 1,415 2.147,416 1.039,417 3.313,418 1.67,419 0.758,420 1.019,422 1.803,423 0.684,424 1.464,425 1,426 2.709,427 1.089,428 0.171,429 0.202,431 0.239,432 0.151,433 1.191,434 0.522,435 2.462,436 0.777,437 -0.123,438 -0.151,440 -0.277,441 -0.108,442 1.06,443 0.321,444 2.299,445 0.612,446 -0.277,447 -0.35,449 -0.641,450 -0.241,451 0.58,452 0.138,453 2,454 0.061,455 -0.855,456 -1.086,458 -2.218,459 -0.763,460 0.5,461 -0.338,462 2,464 -0.912,465 -1.195,467 -2.312,468 -0.822,469 10.786,470 0.469,471 0.575,472 0.025,473 31.25,474 1.359,475 16,476 0.696,477 15.25,478 0.663,479 16.529,480 0.719,481 24.614,482 0.703,483 22.261,484 0.968,485 6.233,486 0.271,487 4.863,488 0.211,489 0.15,491 0.362,494 1,496 0.637,497 1.07,498 0.629,499 0.973,500 0.544,501 0.889,502 0.781,503 0.997,504 0.856,505 0.922,506 0.611,507 0.767,508 1.026,509 1.252,510 1.2,511 1.361,512 1.024,513 0.992,514 1.376,515 1.074,516 1.163,517 0.972,518 1.414,519 0.945,520 0.624,521 0.837,522 1.109,523 1.035,524 0.521,525 1.055,526 0.746,527 0.908,528 0.727,529 0.834,530 0.641,531 0.93,532 0.942,533 0.663,534 1.225,535 0.839,536 0.968,537 0.924,538 0.844,539 1.228,540 1.288,541 1.396,542 0.779,543 1.347,544 4.5,545 0.074,546 3.333,547 1.41,548 1.126,549 0.716,550 0.527,551 0.383,552 0.245,553 0.111,554 5268,555 20286,556 2.041,557 34.3,559 8,561 1,564 3,567 1.658,568 1.89,569 3.258,570 -0.601,572 1,574 1,575 69.593,576 1.988,577 3.95,578 4.515,579 4.629,580 4.629,581 4.629,582 2.757,583 4.089,584 4.49,585 3.375,586 853.947,587 7.741,588 9529.7,589 1,590 1,591 1,592 1,593 179.525,594 1.478,595 4.443,596 0.18,597 0.008,598 0.095,599 0.039,600 0.035,601 0.025,602 0.019,603 0.017,604 0.016,605 0.009,606 0.444,607 0.33,608 1,609 1.422,610 106.96,611 0.006,612 -0.073,613 0.06,614 -0.047,615 -0.034,616 -0.042,617 0.043,618 -0.034,619 0.124,620 0.121,621 0.042,622 0.156,623 -0.092,624 -0.17,625 -0.018,626 -0.181,627 -0.059,628 -0.047,629 -0.347,630 -0.099,631 -0.178,632 0.013,633 -0.314,634 -0.068,635 0.019,636 0.027,637 -0.197,638 -0.103,639 0.001,640 -0.108,641 0.058,642 -0.061,643 0.122,644 0.007,645 0.081,646 0.035,647 0.174,648 0.324,649 -0.146,650 0.125,651 0.097,652 -0.021,653 -0.097,654 -0.248,655 -0.274,656 -0.334,657 -0.034,658 -0.328,659 2.021,660 5.041,661 0.652,662 19.879,663 1.037,664 1.138,665 2.995,666 8.969,667 0.702,668 3.258,669 3.584,670 3.871,671 4.111,672 4.331,673 4.443,674 4.575,675 4.7,676 4.71,677 4.691,678 5.613,679 0.692,680 333.38,681 3.258,682 4.796,683 5.652,684 6.532,685 7.412,686 8.301,687 9.19,688 10.085,689 10.98,690 11.879,691 14.3,699 1,701 4,708 2,709 5,710 4,714 3,715 1,716 16,737 1,738 35,739 17,740 1,741 25,743 37,744 14,745 10,746 2,747 4,752 3,753 4,759 1,766 1,768 11,769 3,772 1,778 1,782 1,785 1,786 1,787 1,789 12,790 7,792 9,793 1,797 5,803 0.667,804 2,817 1,822 1,823 2,826 1,841 1,855 2,856 1,857 1,859 2,861 1,862 23,872 1,873 1,874 1,883 1,885 1,886 5.7,889 1,891 1,893 12.167,894 7.143,895 5.139,896 1.943,898 3.299,899 1.469,900 0.957,901 4.44,902 10.341,903 3.555,904 4.186,905 4.821,906 5.437,907 5.998,908 6.384,909 6.85,910 7.307,911 7.562,912 7.86,913 0.857,914 36,915 8.45,917 3.594,918 8.094,919 15.484,921 12.24,924 2.594,925 59.667,929 141.253,930 122.502,931 68.551,933 36.145,934 14.96,935 32.22,936 90.282,937 177.398,938 83.511,939 19.708,941 37.905,942 112.597,943 35.417,944 16.082,945 161.702,947 141.253,948 158.833,949 51.105,950 32.22,952 120.9,953 71.458,956 23.08,957 68.979,958 66.775,959 32.22,960 156.213,961 104.696,962 122.502,965 141.253,966 56.27,967 68.008,969 117.879,970 141.253,971 119.656,972 122.502,973 0.582,974 0.349,975 0.175,976 0.094,977 17,978 8,979 0.135,980 5,981 1,982 1.133,983 3.459,984 183.846,985 0.133,986 15,987 100.042,989 1,993 15.691,994 6.508,995 3.128,996 0.948,997 117.879,998 7.195,999 16.447,1003 0.821,1004 1.489,1006 383.411,1007 34,1013 11.548,1017 -0.354,1020 36.287,1021 39.831,1022 0.388,1023 0.77,1024 0.88,1025 0.902,1026 0.902,1027 0.902,1028 4.779,1029 1.07,1030 5.645,1031 3.278,1032 4.263,1033 4.871,1034 3.48,1035 6.472,1036 4.12,1037 6.001,1038 1,1039 7.22,1040 2.773,1041 3.892,1042 4.732,1043 2.243,1044 7.434,1045 3.675,1046 7.319,1047 0.758,1048 8.897,1049 2.275,1050 5.872,1051 7.139,1052 5.683,1053 10.54,1054 5.599,1055 8.678,1056 0.171,1057 10.632,1058 1.803,1059 6.33,1060 7.866,1061 4.601,1062 12.348,1063 5.982,1064 10.07,1065 -0.123,1066 12.406,1067 0.239,1068 7.783,1069 9.741,1070 8.04,1071 14.985,1072 7.385,1073 11.486,1074 -0.277,1075 14.207,1076 -0.277,1077 8.611,1078 10.882,1079 7.073,1080 17.139,1081 8.139,1082 12.922,1083 -0.855,1084 16.028,1085 -0.641,1086 9.864,1087 12.544,1088 10.446,1089 19.626,1090 9.342,1091 3.22,1092 -0.912,1093 17.864,1094 -2.218,1095 10.863,1096 13.889,1097 9.629,1098 21.928,1099 10.269,1100 2.778,1101 11.284,1102 19.712,1103 -2.312,1104 12.042,1105 15.464,1106 12.87,1107 24.365,1108 11.394,1109 2.593,1110 8.878,1111 21.57,1112 4.614,1113 13.121,1114 16.905,1115 12.213,1116 26.732,1117 12.404,1118 2.289,1119 7.809,1120 23.436,1121 3.694,1122 14.276,1123 18.447,1124 15.301,1125 29.155,1126 13.502,1127 1.847,1128 6.347,1129 25.309,1130 3.186,1131 15.394,1132 19.934,1133 14.795,1134 31.551,1135 14.554,1136 1.547,1137 5.534,1138 27.187,1139 3.003,1140 16.544,1141 21.464,1142 17.735,1143 33.97,1144 15.645,1145 1.294,1146 3.741,1147 29.07,1148 2.506,1149 17.682,1150 22.972,1151 17.364,1152 36.379,1153 16.718,1154 5253,1155 10426,1156 16.414,1157 24.568,1158 37.626,1159 40.696,1160 39.538,1161 37.246,1162 37.136,1163 50.215,1164 11.83,1165 107.92,1166 34.437,1167 5.506,1168 6.652,1169 6.361,1170 5.299,1171 5.22,1172 7.614,1173 6.747,1174 18.684,1175 5.023,1176 12.226,1177 1.505,1178 1.628,1179 1.582,1180 1.49,1181 1.485,1182 2.009,1183 0.473,1184 4.317,1185 1.377,1186 4.093,1187 4.146,1188 4.152,1189 3.932,1190 8.201,1191 3.952,1192 3.822,1193 3.853,1194 3.87,1195 3.739,1196 7.432,1197 3.732,1198 3.647,1199 3.666,1200 3.692,1201 3.485,1202 5.231,1203 3.475,1204 3.253,1205 3.325,1206 3.288,1207 2.978,1208 4.692,1209 3.007,1210 3.196,1211 3.285,1212 3.095,1213 2.914,1214 4.536,1215 2.926,1216 2.875,1217 2.932,1218 2.848,1219 2.735,1220 4.5,1221 2.715,1222 2.854,1223 2.925,1224 2.749,1225 2.692,1226 4.029,1227 2.702,1228 2.803,1229 2.864,1230 2.687,1231 2.555,1232 3.846,1233 2.521,1234 0.186,1235 0.186,1236 0.273,1237 0.166,1238 0.129,1239 4.656,1240 0.185,1241 4.652,1242 0.137,1243 6.817,1244 0.451,1245 4.159,1246 0.121,1247 3.22,1248 4.614,1249 3.42,1250 11.284,1251 3.023,1252 1.909,1253 1.879,1254 1.992,1255 2.043,1256 1.087,1257 2.025,1258 1.75,1259 1.723,1260 1.795,1261 1.892,1262 1.022,1263 1.88,1264 1.545,1265 1.511,1266 1.721,1267 1.768,1268 0.79,1269 1.758,1270 1.188,1271 1.109,1272 1.575,1273 1.507,1274 0.575,1275 1.531,1276 1.125,1277 1.047,1278 1.181,1279 1.482,1280 0.218,1281 1.402,1282 0.886,1283 0.821,1284 1.162,1285 1.082,1286 0.21,1287 1.107,1288 0.835,1289 0.766,1290 1.023,1291 1.071,1292 0.114,1293 1.07,1294 0.731,1295 0.665,1296 0.984,1297 1.062,1299 1.05,1300 3.932,1302 5.252,1303 2.398,1304 6.772,1305 4.727,1306 8.38,1307 6.862,1308 10.035,1310 3.05,1312 13.041,1318 4.702,1319 1.215,1320 -0.436,1326 24.214,1327 69.593,1328 138.264,1329 158.015,1330 162.015,1331 162.015,1332 162.015,1333 42.239,1334 7.041,1335 82.79,1336 108.09,1337 17,1338 12.403,1339 4.17,1340 3.322,1341 36.791,1342 77,1343 79,1344 0.243,1345 153.757,1346 257.02,1347 366.927,1348 9749,1349 2.9,1350 16.397,1351 0.713,1352 0.57,1353 15.88,1354 13.119,1355 11.097,1356 0.444,1357 0.302,1358 6.582,1359 9.944,1360 6.342,1361 5.265,1362 11.111,1363 7.547,1364 9.878,1365 0.282,1366 0.17,1367 9.959,1368 5.941,1369 8.607,1370 0.183,1371 0.089,1372 8.988,1373 4.165,1374 6.678,1375 0.111,1376 0.047,1377 7.329,1378 2.831,1379 5.311,1380 0.071,1381 0.024,1382 5.796,1383 1.796,1384 0.373,1385 75.575,1386 0.247,1387 22.394,1388 0.685,1389 120,1390 496.668,1391 165.01,1392 465.565,1393 622.01,1394 434,1395 142,1396 439.36,1397 184.458,1398 446.438,1399 653.23,1400 417,1401 4.936}
{0 CHEMBL1444756,1 1.631,2 9.963,3 3.122,4 9.745,5 97.524,6 8.381,7 0.71,8 3.924,9 4.018,10 3.599,11 3.454,12 5.107,13 3.48,14 4.416,15 4.539,16 3.97,17 3.831,18 5.582,19 3.851,20 4.629,21 4.795,22 4,23 3.924,24 5.775,25 3.916,26 4.582,27 4.767,28 3.858,29 3.883,30 5.632,31 3.839,32 4.542,33 4.747,34 3.832,35 3.867,36 5.551,37 3.821,38 4.56,39 4.752,40 3.862,41 3.914,42 5.631,43 3.863,44 4.581,45 4.772,46 3.848,47 3.883,48 5.684,49 3.826,50 4.533,51 4.744,52 3.702,53 3.71,54 5.603,55 3.665,56 0.101,57 0.649,58 7.058,59 3.568,60 9.666,61 3.87,62 0.277,63 1.042,64 13.254,65 5.828,66 18.312,67 6.344,68 0.557,69 1.245,70 19.337,71 7.289,72 37.414,73 8.309,74 0.367,75 1.208,76 18.278,77 7.175,78 29.707,79 8.874,80 0.37,81 1.19,82 18.213,83 6.808,84 24.022,85 8.802,86 0.356,87 1.188,88 17.878,89 7.215,90 26.019,91 9.229,92 0.402,93 1.157,94 18.669,95 7.759,96 28.335,97 10.028,98 0.374,99 1.047,100 19.709,101 7.339,102 32.178,103 9.254,104 2,105 44,106 0.278,107 0.634,108 0.758,109 0.836,110 0.855,111 0.863,112 3.341,113 0.828,114 -2.82,115 -2.83,116 -2.74,120 46.5,126 2,143 7,144 1,145 4,146 2,147 1,152 1,154 1,162 1,174 5,176 1,177 3,180 1,182 4,185 5,188 3,189 6,192 1,194 4,197 3,201 7,204 1,206 3,214 6,217 2,219 2,222 2,226 1,227 3,230 1,235 5,239 2,240 5,243 1,244 1,247 6,251 1,252 4,260 2,263 1,264 4,267 1,269 2,274 1175,275 18.809,276 18.809,277 18.809,278 18.809,279 18.809,280 16.214,281 19.638,282 11.128,283 19.39,284 15.357,285 15.357,286 15.357,287 15.357,288 15.357,289 11.428,290 29.952,291 5.339,292 16.345,293 3.795,294 1.712,295 0.986,296 0.529,297 0.419,298 0.372,299 4.059,305 1,306 1,307 1,308 607,309 2.345,312 50.766,313 256.671,316 99.552,317 102.27,320 1.303,321 23.25,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 59,333 269,334 4.675,335 3.319,336 6.863,337 4.199,338 3.258,339 4.61,340 0.86,341 11.486,342 3.072,343 4.273,344 3.236,345 6.183,346 3.858,347 2.916,348 3.914,349 0.86,350 9.227,351 2.747,352 4.055,353 2.72,354 5.992,355 3.601,356 2.633,357 3.69,358 0.4,359 8.432,360 2.538,361 3.672,362 2.526,363 5.396,364 3.265,365 2.324,366 3.092,368 6.983,369 2.179,370 3.553,371 2.394,372 5.094,373 3.166,374 2.214,375 2.876,377 6.117,378 2.098,379 3.222,380 2.18,381 4.945,382 2.739,383 1.796,384 2.528,386 5.473,387 1.689,388 3.017,389 1.926,390 4.432,391 2.53,392 1.618,393 2.266,395 4.361,396 1.469,397 2.923,398 1.744,399 4.411,400 2.469,401 1.527,402 2.061,404 4.089,405 1.435,406 2.691,407 1.542,408 3.636,409 2.32,410 1.403,411 1.78,413 3.012,414 1.273,415 2.5,416 1.24,417 3.609,418 2.139,419 1.211,420 1.5,422 2.863,423 1.121,424 2.478,425 1.021,426 3.536,427 2,428 1,429 1.477,431 2.275,432 1,433 2.172,434 1,435 3.414,436 1.727,437 0.797,438 1.055,440 2.035,441 0.737,442 1.903,443 0.838,444 3.171,445 1.557,446 0.654,447 0.799,449 1.553,450 0.586,451 1.305,452 0.218,453 2.881,454 0.934,455 0.006,456 0.008,458 0.016,459 0.006,460 1.101,461 0.114,462 2.606,463 0.735,464 -0.198,465 -0.245,467 -0.46,468 -0.183,469 12.6,470 0.467,471 0.568,472 0.021,473 41,474 1.519,475 22,476 0.815,477 19,478 0.704,479 17.347,480 0.642,481 27.6,482 0.642,483 29.306,484 1.085,485 8.184,486 0.303,487 5.092,488 0.189,489 0.026,491 0.349,496 0.966,497 1.289,498 0.687,499 1.007,500 0.946,501 0.827,502 1.143,503 1.155,504 0.852,505 1.001,506 0.801,507 0.892,508 1.18,509 0.955,510 1.011,511 0.889,512 1.006,513 0.908,514 0.903,515 1.233,516 1.048,517 1.082,518 0.898,519 1.091,520 0.712,521 0.966,522 0.93,523 0.862,524 0.533,525 0.908,526 0.65,527 0.982,528 0.945,529 0.962,530 0.594,531 0.993,532 0.579,533 1.01,534 0.921,535 1.104,536 0.723,537 1.09,538 1.006,539 0.974,540 0.953,541 1.057,542 0.96,543 1.002,544 4.5,545 0.062,546 2.889,547 1.701,548 1.525,549 0.796,550 0.434,551 0.438,552 0.314,553 0.133,554 9096,555 25746,556 2.231,557 37.2,559 11,560 1,561 2,562 2,567 1.706,568 2.16,569 3.277,570 0.267,571 1,572 1,575 70.136,576 1.631,577 3.714,578 4.44,579 4.897,580 5.008,581 5.054,582 2.676,583 4.357,584 4.726,585 3.404,586 1194.76,587 8.232,588 14949.3,590 1,592 1,593 233.329,594 1.125,595 4.716,596 0.145,597 0.004,598 0.066,599 0.039,600 0.04,601 0.021,602 0.011,603 0.012,604 0.01,605 0.006,606 0.354,607 0.5,608 0.88,609 0.352,610 131.8,611 -0.115,612 -0.202,613 0.047,614 -0.061,615 -0.149,616 0.011,617 -0.123,618 -0.087,619 -0.027,620 -0.066,621 -0.049,622 -0.038,623 -0.066,624 0.077,625 -0.075,626 0.051,627 -0.054,628 -0.005,629 -0.09,630 -0.208,631 -0.128,632 -0.127,633 -0.117,634 -0.139,635 -0.029,636 0.092,637 -0.003,638 0.087,639 0.009,640 0.06,641 0.025,642 0.05,643 -0.042,644 0.007,645 0.043,646 -0.019,647 0.19,648 -0.032,649 0.017,650 -0.113,651 0.062,652 -0.092,653 -0.013,654 -0.042,655 0.081,656 -0.063,657 0.035,658 0.019,659 1.453,660 3.583,661 0.926,662 22.576,663 1.016,664 1.119,665 1.588,666 2.523,667 0.697,668 3.466,669 3.807,670 4.127,671 4.443,672 4.736,673 4.828,674 5.004,675 5.198,676 5.333,677 5.366,678 5.884,679 0.684,680 360.4,681 3.466,682 5.017,683 5.889,684 6.781,685 7.672,686 8.572,687 9.471,688 10.375,689 11.279,690 12.186,691 9.3,699 2,701 2,708 1,709 10,710 2,714 7,716 22,729 1,734 1,735 2,738 43,739 22,740 2,741 31,743 47,744 20,745 18,746 5,747 7,752 5,753 7,768 18,769 2,785 1,786 1,789 16,790 6,791 2,792 7,794 1,797 4,803 0.6,804 3,813 1,822 1,823 4,826 1,827 1,855 3,862 27,868 1,869 2,871 1,872 2,886 7,888 1,891 2,893 12.5,894 7.717,895 5.806,896 2.457,898 4.304,899 1.538,900 1.029,901 4.016,902 12.308,903 3.761,904 4.422,905 5.073,906 5.718,907 6.315,908 6.667,909 7.148,910 7.652,911 8.032,912 8.383,913 0.857,914 44,915 9.92,917 4.308,918 7.716,919 18.872,921 15.7,924 2.216,925 59.833,928 1,929 164.795,930 125.89,931 52.868,933 64.683,936 125.89,937 229.479,938 52.868,940 9.185,941 75.381,942 101.512,943 80.906,944 11.771,945 129.482,947 164.795,948 178.758,949 64.683,952 164.795,953 64.683,956 53.377,957 91.81,958 33.571,960 164.795,961 117.551,962 125.89,965 164.795,966 32.414,967 94.762,968 18.011,969 98.254,970 164.795,971 117.551,972 125.89,973 0.582,974 0.344,975 0.194,976 0.114,977 24,978 9,979 0.064,980 3,981 2,982 1.16,983 3.943,984 247.741,985 0.16,986 25,987 124.382,993 16.266,994 6.666,995 3.04,996 0.723,997 116.265,998 17.97,999 8.849,1003 4.98,1005 60.694,1006 408.237,1007 42,1020 43.691,1021 48.113,1022 0.301,1023 0.684,1024 0.818,1025 0.902,1026 0.923,1027 0.931,1028 4.994,1029 1.527,1030 5.866,1031 4.361,1032 4.489,1033 5.109,1034 1.454,1035 6.693,1036 4.371,1037 6.211,1038 1.403,1039 7.426,1040 4.089,1041 4.007,1042 4.913,1044 7.6,1045 3.835,1046 7.527,1047 1.211,1048 9.087,1049 3.012,1050 6.089,1051 7.38,1052 1.175,1053 10.74,1054 5.863,1055 8.883,1056 1,1057 10.81,1058 2.863,1059 6.463,1060 8.051,1062 12.527,1063 6.175,1064 10.273,1065 0.797,1066 12.574,1067 2.275,1068 7.988,1069 9.962,1070 0.966,1071 15.177,1072 7.654,1073 11.689,1074 0.654,1075 14.367,1076 2.035,1077 8.773,1078 11.055,1080 17.334,1081 8.371,1082 13.124,1083 0.006,1084 16.182,1085 1.553,1086 10.068,1087 12.731,1088 0.788,1089 19.825,1090 9.619,1091 3.258,1092 -0.198,1093 18.014,1094 0.016,1095 11.051,1096 14.037,1098 22.139,1099 10.534,1100 2.916,1101 11.486,1102 19.86,1103 -0.46,1104 12.254,1105 15.611,1106 0.634,1107 24.583,1108 11.686,1109 2.633,1110 9.227,1111 21.716,1112 4.61,1113 13.332,1114 17.024,1116 26.963,1117 12.697,1118 2.324,1119 8.432,1120 23.582,1121 3.914,1122 14.502,1123 18.558,1124 0.504,1125 29.395,1126 13.813,1127 2.214,1128 6.983,1129 25.455,1130 3.69,1131 15.624,1132 20.024,1134 31.806,1135 14.871,1136 1.796,1137 6.117,1138 27.335,1139 3.092,1140 16.786,1141 21.545,1142 0.395,1143 34.238,1144 15.975,1145 1.618,1146 5.473,1147 29.22,1148 2.876,1149 17.93,1150 23.037,1152 36.662,1153 17.057,1154 8316,1155 14124,1156 21.671,1157 29.955,1158 47.042,1159 47.2,1160 47.64,1161 46.736,1162 46.715,1163 63.313,1164 4.24,1165 135.843,1166 43.9,1167 5.619,1168 5.319,1169 6.55,1170 5.34,1171 5.258,1172 7.61,1173 1.72,1174 18.831,1175 5.072,1176 6.926,1177 1.517,1178 1.523,1179 1.537,1180 1.508,1181 1.507,1182 2.042,1183 0.137,1184 4.382,1185 1.416,1186 4.14,1187 4.189,1188 4.117,1189 3.987,1190 6.471,1191 4.012,1192 3.925,1193 3.94,1194 3.879,1195 3.82,1196 5.117,1197 3.829,1198 3.844,1199 3.872,1200 3.787,1201 3.736,1202 4.943,1203 3.748,1204 3.473,1205 3.524,1206 3.358,1207 3.263,1208 4.64,1209 3.276,1210 3.291,1211 3.345,1212 3.216,1213 3.129,1214 4.436,1215 3.144,1216 2.98,1217 3.043,1218 2.885,1219 2.801,1220 4.301,1221 2.81,1222 2.883,1223 2.933,1224 2.771,1225 2.735,1226 4.212,1227 2.731,1228 2.857,1229 2.925,1230 2.761,1231 2.732,1232 3.893,1233 2.715,1234 0.151,1235 0.107,1236 0.221,1237 0.135,1238 0.105,1239 4.675,1240 0.149,1241 3.319,1242 0.028,1243 6.863,1244 0.371,1245 4.199,1246 0.099,1247 3.258,1248 4.61,1249 0.86,1250 11.486,1251 3.072,1252 1.924,1253 1.901,1254 2.01,1255 2.074,1256 1.127,1257 2.049,1258 1.877,1259 1.859,1260 1.975,1261 2.001,1262 1.082,1263 1.982,1264 1.813,1265 1.763,1266 1.898,1267 1.977,1268 0.959,1269 1.973,1270 1.437,1271 1.389,1272 1.685,1273 1.674,1274 0.905,1275 1.674,1276 1.316,1277 1.275,1278 1.409,1279 1.493,1280 0.488,1281 1.476,1282 0.935,1283 0.876,1284 1.181,1285 1.172,1286 0.218,1287 1.161,1288 0.886,1289 0.821,1290 1.156,1291 1.072,1292 0.205,1293 1.107,1294 0.857,1295 0.809,1296 1.099,1297 1.062,1298 0.172,1299 1.075,1300 4.143,1302 5.476,1303 2.398,1304 7.015,1305 4.844,1306 8.643,1307 7.05,1308 10.317,1314 9.583,1315 1.099,1317 3.433,1318 11.259,1326 29.391,1327 70.136,1328 159.704,1329 190.923,1330 210.574,1331 215.329,1332 217.329,1333 32.207,1334 8.004,1335 80.91,1336 80.91,1337 29,1338 12.704,1339 4.524,1340 3.585,1341 35.548,1342 91,1343 101,1344 0.183,1345 175.542,1346 293.13,1347 420.083,1348 34897,1350 18.217,1351 0.675,1352 0.529,1353 18.217,1354 14.293,1355 13.276,1356 0.428,1357 0.276,1358 8.405,1359 12.659,1360 8.297,1361 6.806,1362 13.276,1363 8.56,1364 12.011,1365 0.273,1366 0.14,1367 12.011,1368 6.144,1369 10.562,1370 0.173,1371 0.072,1372 10.562,1373 4.376,1374 9.11,1375 0.108,1376 0.037,1377 9.11,1378 3.105,1379 7.995,1380 0.071,1381 0.019,1382 7.995,1383 2.188,1384 0.281,1385 83.904,1386 0.215,1387 25.546,1388 0.525,1389 150,1390 458.889,1391 167.544,1392 437.882,1393 614.34,1394 414,1395 180,1396 469.996,1397 198.988,1398 470.067,1399 695.03,1400 445,1401 4.957}
{0 CHEMBL1445297,1 1.664,2 11.074,3 3.986,4 15.885,5 103.738,6 8.181,7 0.567,8 3.97,9 4.053,10 3.771,11 3.565,12 5.04,13 3.53,14 4.488,15 4.623,16 4.023,17 3.897,18 5.777,19 3.851,20 4.635,21 4.787,22 4.089,23 3.982,24 5.818,25 3.92,26 4.729,27 4.891,28 4.063,29 3.975,30 5.949,31 3.912,32 4.705,33 4.895,34 3.952,35 3.922,36 5.934,37 3.829,38 4.563,39 4.749,40 3.858,41 3.852,42 5.71,43 3.761,44 4.574,45 4.725,46 3.737,47 3.802,48 5.882,49 3.712,50 4.525,51 4.769,52 3.463,53 3.666,54 5.576,55 3.526,56 0.099,57 0.674,58 11.323,59 4.85,60 16.101,61 5.341,62 0.423,63 1.046,64 18.944,65 7.909,66 57.455,67 9.093,68 0.33,69 1.207,70 23.93,71 9.454,72 38.235,73 10.526,74 0.525,75 1.297,76 28.975,77 9.873,78 59.791,79 10.399,80 0.639,81 1.25,82 27.029,83 9.528,84 74.066,85 10.927,86 0.348,87 1.089,88 29.239,89 9.983,90 46.084,91 10.987,92 0.685,93 1.03,94 22.407,95 8.394,96 93.663,97 9.363,98 0.4,99 1.009,100 22.046,101 8.389,102 49.534,103 11.097,104 18,105 44,106 0.281,107 0.63,108 0.776,109 0.832,110 0.832,111 0.832,112 3.34,113 1.018,114 -3.98,115 -3.94,116 -3.73,120 42.6,121 1,122 2,123 1,125 1,143 7,144 2,145 3,146 1,153 1,162 1,174 11,176 2,177 4,180 2,182 1,185 8,189 13,192 1,194 4,197 4,201 11,206 4,209 1,213 2,214 9,219 1,222 6,227 6,235 12,239 2,240 2,243 1,247 13,251 2,252 1,255 1,260 6,264 3,269 1,271 2,274 1109,275 18.082,276 18.082,277 18.082,278 18.082,279 18.082,280 15.813,281 15.858,282 10.289,283 18.477,284 14.73,285 14.73,286 14.73,287 14.73,288 14.73,289 11.175,290 13.299,291 4.784,292 15.296,293 3.891,294 1.824,295 0.961,296 0.628,297 0.628,298 0.628,299 4.021,305 1,306 1,307 1,308 656,309 3.464,310 54.367,312 83.953,313 194.27,320 1.929,321 33.703,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59,333 299,334 4.861,335 4.686,336 7.312,337 4.323,338 3.401,339 4.711,340 0.86,341 12.531,342 3.113,343 4.338,344 3.192,345 6.313,346 4.016,347 3.03,348 3.974,350 9.645,351 2.986,352 4.224,353 3.104,354 6.153,355 3.804,356 2.841,357 3.874,359 9.057,360 2.741,361 3.941,362 2.763,363 6.025,364 3.697,365 2.702,366 3.351,368 8.656,369 2.675,370 3.471,371 2.419,372 4.965,373 3.104,374 2.125,375 2.784,377 5.795,378 2.075,379 3.414,380 2.063,381 4.947,382 2.995,383 2.011,384 2.686,386 5.576,387 1.976,388 3.032,389 1.883,390 4.684,391 2.645,392 1.676,393 2.18,395 4.877,396 1.621,397 2.859,398 1.578,399 4.297,400 2.419,401 1.453,402 1.984,404 3.96,405 1.398,406 2.5,407 1.169,408 4.081,409 2.062,410 1.076,411 1.5,413 3.153,414 1.059,415 2.493,416 1.089,417 3.414,418 2,419 1,420 1.485,422 2.275,423 1,424 2.168,425 1,426 3.281,427 1.626,428 0.682,429 1.008,431 1.664,432 0.642,433 1.855,434 0.702,435 3.222,436 1.56,437 0.665,438 0.765,440 1.198,441 0.589,442 1.154,443 0.354,444 2.876,445 0.842,446 -0.086,447 -0.101,449 -0.172,450 -0.078,451 1,452 0.177,453 2.683,454 0.628,455 -0.346,456 -0.404,458 -0.819,459 -0.333,460 0.968,461 -0.123,462 2.535,463 0.6,464 -0.385,465 -0.449,467 -0.978,468 -0.379,469 12.967,470 0.48,471 0.799,472 0.03,473 37.25,474 1.38,475 20,476 0.741,477 17.25,478 0.639,479 20.165,480 0.747,481 29.033,482 0.618,483 27.869,484 1.032,485 7.041,486 0.261,487 5.918,488 0.219,489 0.129,490 0.064,491 0.308,496 0.636,497 1.261,498 0.79,499 1.225,500 0.673,501 0.935,502 0.797,503 1.031,504 0.843,505 0.952,506 0.578,507 0.9,508 1.078,509 1.184,510 1.02,511 1.103,512 0.951,513 0.988,514 1.536,515 1.116,516 1.258,517 1.101,518 1.361,519 1.016,520 1.168,521 0.914,522 1.067,523 0.918,524 1.407,525 0.978,526 1.012,527 1.006,528 1.34,529 1.275,530 1.091,531 0.93,532 1.401,533 1.019,534 1.197,535 1.046,536 2.1,537 1.206,538 0.661,539 0.899,540 0.763,541 0.884,542 0.741,543 1.038,544 7,545 0.117,546 3.833,547 1.882,548 1.566,549 1.281,550 0.562,551 0.289,552 0.304,553 0.197,554 9590,555 25723,556 2.088,557 42.6,558 7,559 10,561 1,562 1,563 1,567 1.698,568 1.94,569 3.418,570 -0.309,572 1,575 78.189,576 1.664,577 3.731,578 4.594,579 4.927,580 4.927,581 4.927,582 2.936,583 4.357,584 4.725,585 3.64,586 1277.61,587 8.189,588 16590.2,590 1,592 1,593 261.066,594 1.596,595 4.673,596 0.233,597 0.006,598 0.093,599 0.045,600 0.04,601 0.038,602 0.017,603 0.01,604 0.014,605 0.012,606 0.508,607 0.33,608 1,609 0.76,610 134.746,611 0.065,612 -0.129,613 0.216,614 -0.096,615 -0.137,616 0.021,617 0.193,618 0.019,619 0.082,620 0.039,621 0.278,622 0.034,623 -0.059,624 -0.144,625 0.013,626 -0.063,627 -0.011,628 -0.035,629 -0.266,630 -0.07,631 -0.153,632 -0.066,633 -0.127,634 -0.092,635 -0.026,636 0.105,637 -0.048,638 0.054,639 -0.05,640 -0.036,641 -0.054,642 -0.004,643 -0.052,644 -0.074,645 0.058,646 0.105,647 -0.059,648 -0.083,649 -0.284,650 -0.103,651 -0.245,652 -0.281,653 0.117,654 0.011,655 0.066,656 -0.01,657 0.063,658 -0.026,659 4.653,660 5.728,661 0.741,662 26.373,663 1.012,664 1.117,665 2.754,666 7.582,667 0.688,668 3.434,669 3.807,670 4.025,671 4.248,672 4.419,673 4.543,674 4.554,675 4.543,676 4.673,677 4.82,678 6.737,679 0.656,680 384.49,681 3.434,682 5.004,683 5.866,684 6.763,685 7.64,686 8.537,687 9.418,688 10.315,689 11.197,690 12.095,691 4.3,696 1,701 1,709 8,710 1,712 1,714 7,716 17,735 1,738 47,739 19,740 2,741 30,743 50,744 20,745 15,746 5,747 7,752 4,753 4,759 1,763 2,764 1,766 2,768 15,769 5,770 1,772 2,776 1,778 2,786 1,789 20,790 6,791 1,792 7,793 1,797 2,803 1,804 4,808 1,820 1,822 1,823 2,855 4,857 1,859 2,862 27,866 1,869 2,871 1,872 1,874 1,886 8.5,889 2,891 2,893 13.917,894 9.033,895 5.792,896 2.735,898 3.058,899 1.418,900 1.005,901 4.704,902 10.377,903 3.726,904 4.385,905 4.901,906 5.452,907 5.91,908 6.224,909 6.539,910 6.787,911 7.179,912 7.539,913 1,914 42,915 10.249,917 4.691,918 7.849,919 19.072,921 16.154,924 2.349,925 63.417,928 1,929 223.651,930 132.357,931 33.191,933 64.82,935 5.807,936 126.549,937 288.471,938 33.191,939 19.708,940 5.069,941 72.141,942 94.295,943 45.477,944 5.449,945 211.88,947 223.651,948 159.74,949 64.82,950 5.807,952 223.651,953 64.82,956 27.962,957 98.588,958 38.998,960 223.651,961 98.011,962 132.357,964 5.807,965 223.651,966 31.46,967 95.089,968 16.405,969 81.606,970 223.651,971 98.011,972 132.357,973 0.596,974 0.334,975 0.17,976 0.088,977 23,978 10,979 0.12,980 6,982 1,983 3.944,984 231.635,986 20,987 120.382,992 1,993 18.083,994 7.024,995 4.019,997 98.011,998 13.568,999 4.298,1001 5.765,1003 4.17,1005 16.405,1006 454.018,1007 40.5,1011 -3.736,1013 25.456,1020 47.542,1021 52.491,1022 0.299,1023 0.672,1024 0.827,1025 0.887,1026 0.887,1027 0.887,1028 4.985,1029 1.453,1030 5.9,1031 4.877,1032 4.489,1033 5.072,1034 0.908,1035 6.767,1036 4.418,1037 6.249,1038 1.076,1039 7.508,1040 3.96,1041 4.369,1042 5.19,1044 8.003,1045 4.24,1046 7.612,1047 1,1048 9.226,1049 3.153,1050 6.209,1051 7.399,1052 0.739,1053 10.997,1054 6.05,1055 9.015,1056 0.682,1057 11.009,1058 2.275,1059 6.847,1060 8.301,1062 13.017,1063 6.605,1064 10.451,1065 0.665,1066 12.835,1067 1.664,1068 8.244,1069 10.057,1070 0.593,1071 15.635,1072 7.971,1073 11.91,1074 -0.086,1075 14.691,1076 1.198,1077 9.193,1078 11.296,1080 17.952,1081 8.828,1082 13.387,1083 -0.346,1084 16.569,1085 -0.172,1086 10.441,1087 12.895,1088 0.469,1089 20.476,1090 10.032,1091 3.401,1092 -0.385,1093 18.464,1094 -0.819,1095 11.524,1096 14.287,1098 22.911,1099 11.022,1100 3.03,1101 12.531,1102 20.374,1103 -0.978,1104 12.724,1105 15.833,1106 0.366,1107 25.419,1108 12.162,1109 2.841,1110 9.645,1111 22.295,1112 4.711,1113 13.866,1114 17.296,1116 27.903,1117 13.213,1118 2.702,1119 9.057,1120 24.226,1121 3.974,1122 15.056,1123 18.827,1124 0.283,1125 30.414,1126 14.33,1127 2.125,1128 8.656,1129 26.166,1130 3.874,1131 16.227,1132 20.326,1134 32.92,1135 15.41,1136 2.011,1137 5.795,1138 28.112,1139 3.351,1140 17.418,1141 21.856,1142 0.217,1143 35.437,1144 16.519,1145 1.676,1146 5.576,1147 30.064,1148 2.784,1149 18.606,1150 23.374,1152 37.954,1153 17.614,1154 9006,1155 14936,1156 19.879,1157 32.33,1158 45.913,1159 46.431,1160 46.987,1161 45.304,1162 45.325,1163 60.604,1164 1.72,1165 136.773,1166 43.75,1167 5.723,1168 6.686,1169 6.855,1170 5.391,1171 5.401,1172 7.711,1173 1.72,1174 19.94,1175 5.113,1176 13.163,1177 1.53,1178 1.548,1179 1.566,1180 1.51,1181 1.511,1182 2.02,1183 0.057,1184 4.559,1185 1.458,1186 4.118,1187 4.112,1188 4.737,1189 4.086,1190 7.717,1191 4.02,1192 3.982,1193 3.999,1194 3.969,1195 3.858,1196 6.999,1197 3.861,1198 3.884,1199 3.905,1200 3.849,1201 3.82,1202 5.152,1203 3.805,1204 3.686,1205 3.688,1206 3.69,1207 3.603,1208 4.86,1209 3.55,1210 3.447,1211 3.468,1212 3.409,1213 3.274,1214 4.627,1215 3.272,1216 3.311,1217 3.366,1218 3.151,1219 3.079,1220 4.399,1221 3.082,1222 3.037,1223 3.135,1224 2.797,1225 2.816,1226 4.157,1227 2.79,1228 2.859,1229 2.925,1230 2.73,1231 2.735,1232 3.893,1233 2.719,1234 0.162,1235 0.156,1236 0.244,1237 0.144,1238 0.113,1239 4.861,1240 0.157,1241 4.686,1242 0.029,1243 7.312,1244 0.418,1245 4.323,1246 0.104,1247 3.401,1248 4.711,1249 0.86,1250 12.531,1251 3.113,1252 1.986,1253 1.992,1254 2.02,1255 2.06,1256 1.202,1257 2.088,1258 1.888,1259 1.867,1260 1.987,1261 1.972,1262 1.116,1263 1.983,1264 1.504,1265 1.54,1266 1.607,1267 1.654,1268 0.865,1269 1.679,1270 1.389,1271 1.352,1272 1.54,1273 1.601,1274 0.825,1275 1.578,1276 1.27,1277 1.211,1278 1.513,1279 1.555,1280 0.698,1281 1.57,1282 1.165,1283 1.141,1284 1.476,1285 1.391,1286 0.609,1287 1.429,1288 1.153,1289 1.064,1290 1.41,1291 1.376,1292 0.521,1293 1.397,1294 1.057,1295 0.963,1296 1.209,1297 1.298,1298 0.327,1299 1.338,1300 4.111,1301 1.946,1302 5.468,1303 3.932,1304 7.013,1305 5.82,1306 8.636,1307 7.664,1308 10.298,1310 3.393,1315 2.233,1317 2.593,1318 5.239,1320 0.437,1326 30.83,1327 78.189,1328 175.36,1329 215.904,1330 231.556,1331 231.556,1332 231.556,1333 51.286,1334 7.319,1335 81.43,1336 89.81,1337 20,1338 12.621,1339 4.322,1340 3.524,1341 40.377,1342 109,1343 103,1344 0.18,1345 190.329,1346 326.97,1347 456.163,1348 14719,1350 19.018,1351 0.704,1352 0.589,1353 19.268,1354 15.915,1355 12.959,1356 0.432,1357 0.339,1358 8.699,1359 11.693,1360 8.321,1361 6.918,1362 13.78,1363 10.18,1364 12.322,1365 0.28,1366 0.19,1367 13.622,1368 8.353,1369 9.772,1370 0.178,1371 0.102,1372 10.863,1373 5.591,1374 7.944,1375 0.115,1376 0.055,1377 8.964,1378 3.822,1379 5.866,1380 0.072,1381 0.032,1382 6.829,1383 2.608,1384 0.285,1385 89.73,1386 0.224,1387 26.153,1388 0.485,1389 148,1390 459.781,1391 199.826,1392 458.242,1393 625.83,1394 424,1395 176,1396 439.386,1397 236.979,1398 480.151,1399 700.66,1400 448,1401 6.367}
{0 CHEMBL1445629,1 1.484,2 13.185,3 4.002,4 16.018,5 103.438,6 7.669,7 0.586,8 3.931,9 4.034,10 3.517,11 3.52,12 5.102,13 3.499,14 4.417,15 4.559,16 3.834,17 3.852,18 5.628,19 3.812,20 4.665,21 4.856,22 3.848,23 3.931,24 5.829,25 3.867,26 4.639,27 4.845,28 3.674,29 3.823,30 5.782,31 3.749,32 4.563,33 4.776,34 3.658,35 3.719,36 5.875,37 3.647,38 4.459,39 4.668,40 3.561,41 3.624,42 5.64,43 3.567,44 4.394,45 4.576,46 3.533,47 3.573,48 5.618,49 3.532,50 4.38,51 4.586,52 3.501,53 3.548,54 5.612,55 3.491,56 0.019,57 0.617,58 8.61,59 4.281,60 7.658,61 5.273,62 0.224,63 0.977,64 15.726,65 6.85,66 29.875,67 8.682,68 0.401,69 1.209,70 22.825,71 8.637,72 54.613,73 11.063,74 0.33,75 1.17,76 22.969,77 8.131,78 58.342,79 10.256,80 0.474,81 1.04,82 21.851,83 7.969,84 80.512,85 10.396,86 0.225,87 0.917,88 19.595,89 7.35,90 48.421,91 9.237,92 0.254,93 0.859,94 17.898,95 6.569,96 48.503,97 7.821,98 0.273,99 0.872,100 17.895,101 6.585,102 43.659,103 8.322,104 10,105 38,106 0.251,107 0.559,108 0.714,109 0.844,110 0.885,111 0.885,112 3.339,113 0.898,114 -4.04,115 -3.99,116 -3.78,120 46.8,121 1,126 1,128 1,136 2,143 11,144 2,147 2,159 2,174 13,176 1,177 7,180 1,182 1,185 13,188 1,189 7,192 1,194 3,197 10,201 3,206 2,209 7,213 3,214 6,217 1,219 2,222 7,227 7,232 1,235 5,240 9,247 5,251 1,252 8,255 1,257 1,260 5,264 5,269 1,271 6,274 1206,275 18.275,276 18.275,277 18.275,278 18.275,279 18.275,280 15.867,281 10.787,282 11.118,283 18.471,284 14.321,285 14.321,286 14.321,287 14.321,288 14.321,289 10.644,290 12.081,291 5.33,292 14.605,293 4.07,294 2.248,295 1.328,296 0.561,297 0.314,298 0.314,299 4.024,305 1,306 1,307 1,308 764,309 4,313 273.938,317 141.803,320 2.118,321 26.68,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 58,333 356,334 4.41,335 3.796,336 6.183,337 3.903,338 2.925,339 4.341,340 2.062,341 9.226,342 2.863,343 3.987,344 3.505,345 5.912,346 3.737,347 2.769,348 3.45,349 1.623,350 8.127,351 2.67,352 3.88,353 2.921,354 5.338,355 3.496,356 2.506,357 3.254,358 0.583,359 6.956,360 2.48,361 3.761,362 2.729,363 5.282,364 3.348,365 2.353,366 3.075,367 0.189,368 6.737,369 2.333,370 3.511,371 2.281,372 4.956,373 3.106,374 2.115,375 2.757,377 5.798,378 2.074,379 3.118,380 2.182,381 4.414,382 2.604,383 1.618,384 2.427,386 4.366,387 1.593,388 2.928,389 1.645,390 3.916,391 2.522,392 1.537,393 2.104,395 3.361,396 1.512,397 2.908,398 1.618,399 3.62,400 2.407,401 1.414,402 2.088,404 3.022,405 1.402,406 2.526,407 1.421,408 3.58,409 2.177,410 1.213,411 1.5,413 2.874,414 1.154,415 2.5,416 1.061,417 3.247,418 2,419 1,420 1.434,422 2.136,423 1,424 2.313,425 1,426 3.219,427 1.765,428 0.766,429 1.126,431 1.75,432 0.763,433 2.124,434 0.952,435 3.08,436 1.509,437 0.534,438 0.805,440 1.249,441 0.516,442 1.736,443 0.68,444 2.812,445 1.382,446 0.374,447 0.476,449 0.829,450 0.372,451 1.073,452 0.539,453 2.411,454 0.61,455 -0.356,456 -0.436,458 -0.878,459 -0.341,460 0.882,461 -0.037,462 2.213,463 0.428,464 -0.561,465 -0.747,467 -1.291,468 -0.547,469 12.8,470 0.474,471 0.558,472 0.021,473 37,474 1.37,475 20.5,476 0.759,477 16.5,478 0.611,479 18.261,480 0.676,481 28,482 0.596,483 27.651,484 1.024,485 7.73,486 0.286,487 5.384,488 0.199,489 0.091,491 0.273,496 0.686,497 1.141,498 0.752,499 1.017,500 0.585,501 0.912,502 0.706,503 1.177,504 0.887,505 1.089,506 0.562,507 1.028,508 1.072,509 1.059,510 1.028,511 0.983,512 0.953,513 0.995,514 1.451,515 1.032,516 1.214,517 1.003,518 1.497,519 1.048,520 1.004,521 0.909,522 0.949,523 0.952,524 1.021,525 0.947,526 1.376,527 0.951,528 0.944,529 0.972,530 1.455,531 0.906,532 1.746,533 1.037,534 1.132,535 1.023,536 1.705,537 0.991,538 1.286,539 0.929,540 0.991,541 0.987,542 1.128,543 0.951,544 5,545 0.136,546 2.667,547 1,548 1.307,549 0.597,550 0.387,551 0.396,552 0.226,553 0.157,554 10425,555 27884,556 2.057,557 42.6,559 16,562 1,564 3,567 1.694,568 1.952,569 3.685,570 -0.382,572 1,575 69.765,576 1.484,577 3.306,578 4.227,579 4.994,580 5.241,581 5.241,582 3.134,583 4.607,584 4.729,585 3.86,586 1354.92,587 8.168,588 18820.2,590 1,592 1,593 261.066,594 1.277,595 4.698,596 0.172,597 0.007,598 0.07,599 0.027,600 0.044,601 0.021,602 0.014,603 0.015,604 0.009,605 0.007,606 0.387,607 0.33,608 1,609 0.528,610 138.28,611 -0.025,612 -0.064,613 0.036,614 -0.022,615 -0.066,616 0.011,617 0.175,618 -0.128,619 -0.013,620 -0.114,621 0.093,622 -0.099,623 0.032,624 -0.047,625 -0.055,626 -0.024,627 -0.017,628 -0.05,629 -0.233,630 -0.014,631 -0.207,632 -0.062,633 -0.215,634 -0.114,635 0.235,636 0.055,637 0.083,638 0.014,639 0.266,640 0.019,641 -0.092,642 -0.022,643 0.091,644 0.009,645 -0.072,646 0.07,647 -0.224,648 -0.084,649 -0.101,650 -0.06,651 -0.2,652 -0.06,653 0.001,654 0.043,655 0.037,656 -0.026,657 0.058,658 0.004,659 2.257,660 5.048,661 0.593,662 28.148,663 1.003,664 1.114,665 2.809,666 7.89,667 0.686,668 3.401,669 3.664,670 3.85,671 4.007,672 4.205,673 4.094,674 4.143,675 4.22,676 4.248,677 4.06,678 7.722,679 0.658,680 360.44,681 3.401,682 4.905,683 5.714,684 6.547,685 7.37,686 8.204,687 9.033,688 9.869,689 10.701,690 11.538,691 4.3,698 1,701 1,708 2,709 11,710 1,714 2,716 17,738 47,739 20,740 2,741 29,743 49,744 22,745 15,746 3,747 9,748 3,752 3,753 4,759 1,766 1,768 19,769 3,772 3,778 2,780 2,782 2,786 1,789 20,790 5,791 1,792 5,797 2,803 0.667,804 3,816 1,823 3,827 1,838 1,841 1,845 2,855 2,859 1,862 27,869 1,871 1,872 1,874 1,886 6.4,889 2,891 1,893 13.833,894 8.617,895 6.056,896 2.739,898 3.614,899 1.517,900 0.971,901 6.216,902 10.607,903 3.726,904 4.277,905 4.812,906 5.319,907 5.9,908 6.043,909 6.417,910 6.797,911 7.138,912 6.893,913 0.889,914 37,915 9.981,917 4.161,918 7.864,919 18.73,921 14.761,924 2.364,925 63.833,928 1,929 223.651,930 156.678,931 34.796,933 61.29,936 156.678,937 284.941,938 34.796,939 8.825,940 20.116,941 123.191,942 78.971,943 21.659,945 223.651,947 223.651,948 191.474,949 61.29,952 188.338,953 96.603,956 33.843,957 121.893,958 35.738,960 223.651,961 96.086,962 156.678,965 223.651,966 24.661,967 132.016,968 18.011,969 78.075,970 223.651,971 96.086,972 156.678,973 0.569,974 0.321,975 0.161,976 0.089,977 16,978 7,979 0.143,980 7,981 1,982 1.125,983 4.088,984 207.936,985 0.125,986 16,987 124.382,993 18.655,994 8.996,995 5.42,996 1.877,997 96.086,998 21.027,999 4.451,1003 1.624,1005 18.011,1006 476.414,1007 40.5,1013 24,1015 2.849,1017 -0.934,1020 47.138,1021 52.362,1022 0.267,1023 0.595,1024 0.761,1025 0.899,1026 0.943,1027 0.943,1028 4.914,1029 1.414,1030 5.659,1031 3.361,1032 4.344,1033 4.963,1034 2.665,1035 6.368,1036 4.304,1037 6.099,1038 1.213,1039 7.157,1040 3.022,1041 3.761,1042 4.59,1043 1.593,1044 7.05,1045 3.71,1046 7.373,1047 1,1048 8.751,1049 2.874,1050 5.844,1051 7.116,1052 3.717,1053 10.087,1054 5.758,1055 8.681,1056 0.766,1057 10.401,1058 2.136,1059 6.066,1060 7.581,1061 3.201,1062 11.59,1063 5.962,1064 10.018,1065 0.534,1066 12.088,1067 1.75,1068 7.593,1069 9.558,1070 4.931,1071 14.112,1072 7.46,1073 11.377,1074 0.374,1075 13.8,1076 1.249,1077 8.208,1078 10.467,1079 4.754,1080 15.974,1081 8.05,1082 12.753,1083 -0.356,1084 15.53,1085 0.829,1086 9.482,1087 12.184,1088 6.22,1089 18.302,1090 9.3,1091 2.925,1092 -0.561,1093 17.273,1094 -0.878,1095 10.301,1096 13.348,1097 6.273,1098 20.335,1099 10.091,1100 2.769,1101 9.226,1102 19.026,1103 -1.291,1104 11.454,1105 14.933,1106 7.553,1107 22.586,1108 11.221,1109 2.506,1110 8.127,1111 20.788,1112 4.341,1113 12.381,1114 16.24,1115 7.773,1116 24.705,1117 12.119,1118 2.353,1119 6.956,1120 22.556,1121 3.45,1122 13.476,1123 17.761,1124 8.918,1125 26.926,1126 13.192,1127 2.115,1128 6.737,1129 24.331,1130 3.254,1131 14.462,1132 19.145,1133 9.261,1134 29.089,1135 14.149,1136 1.618,1137 5.798,1138 26.109,1139 3.075,1140 15.531,1141 20.635,1142 10.305,1143 31.3,1144 15.196,1145 1.537,1146 4.366,1147 27.892,1148 2.757,1149 16.548,1150 22.059,1151 10.74,1152 33.486,1153 16.186,1154 9960,1155 16430,1156 19.474,1157 32.228,1158 43.093,1159 44.281,1160 42.979,1161 42.271,1162 42.247,1163 57.671,1164 8.912,1165 112.865,1166 41.462,1167 5.329,1168 5.796,1169 5.985,1170 4.967,1171 4.925,1172 7.341,1173 3.863,1174 15.537,1175 4.863,1176 11.36,1177 1.486,1178 1.527,1179 1.482,1180 1.458,1181 1.457,1182 1.989,1183 0.307,1184 3.892,1185 1.43,1186 4.07,1187 4.097,1188 4.028,1189 4.002,1190 7.437,1191 4.005,1192 3.92,1193 3.955,1194 3.846,1195 3.852,1196 7.425,1197 3.845,1198 3.731,1199 3.748,1200 3.668,1201 3.564,1202 4.997,1203 3.579,1204 3.583,1205 3.621,1206 3.504,1207 3.442,1208 4.756,1209 3.453,1210 3.352,1211 3.39,1212 3.273,1213 3.2,1214 4.493,1215 3.207,1216 3.227,1217 3.306,1218 3.053,1219 3.054,1220 4.389,1221 3.044,1222 2.993,1223 3.045,1224 2.899,1225 2.845,1226 4.041,1227 2.851,1228 2.878,1229 2.935,1230 2.734,1231 2.735,1232 3.985,1233 2.715,1234 0.152,1235 0.131,1236 0.213,1237 0.135,1238 0.101,1239 4.41,1240 0.15,1241 3.796,1242 0.071,1243 6.183,1244 0.318,1245 3.903,1246 0.099,1247 2.925,1248 4.341,1249 2.062,1250 9.226,1251 2.863,1252 2.038,1253 2.014,1254 2.119,1255 2.121,1256 1.211,1257 2.122,1258 1.911,1259 1.881,1260 2.041,1261 2.008,1262 1.154,1263 2.02,1264 1.651,1265 1.628,1266 1.823,1267 1.859,1268 0.96,1269 1.842,1270 1.557,1271 1.516,1272 1.735,1273 1.707,1274 0.786,1275 1.715,1276 1.306,1277 1.27,1278 1.531,1279 1.514,1280 0.669,1281 1.521,1282 1.231,1283 1.153,1284 1.483,1285 1.44,1286 0.506,1287 1.458,1288 0.964,1289 0.914,1290 1.182,1291 1.155,1292 0.218,1293 1.164,1294 0.886,1295 0.821,1296 1.181,1297 1.102,1298 0.218,1299 1.107,1300 4.078,1302 5.352,1304 6.815,1306 8.359,1308 9.945,1310 1.542,1315 0.387,1317 2.745,1318 5.144,1320 -0.879,1326 30.928,1327 69.765,1328 155.396,1329 198.647,1330 234.701,1331 246.311,1332 246.311,1333 49.75,1334 6.993,1335 68.29,1336 68.29,1337 18,1338 12.107,1339 4.392,1340 3.644,1341 47.388,1342 126,1343 113,1344 0.177,1345 192.998,1346 338.71,1347 462.674,1348 11237,1350 19.062,1351 0.706,1352 0.554,1353 19.062,1354 14.962,1355 13.114,1356 0.452,1357 0.299,1358 8.585,1359 12.719,1360 8.37,1361 6.979,1362 13.114,1363 8.678,1364 11.438,1365 0.301,1366 0.159,1367 11.438,1368 6.045,1369 9.217,1370 0.2,1371 0.087,1372 9.217,1373 3.982,1374 6.997,1375 0.13,1376 0.047,1377 6.997,1378 2.524,1379 5.686,1380 0.086,1381 0.025,1382 5.686,1383 1.637,1384 0.29,1385 81.519,1386 0.227,1387 26.854,1388 0.452,1389 134,1390 417.185,1391 146.521,1392 402.498,1393 541.7,1394 376,1395 151,1396 388.143,1397 162.471,1398 392.216,1399 566.33,1400 370,1401 4.876}
{0 CHEMBL1445650,1 1.689,2 8.696,3 3.446,4 11.876,5 90.097,6 8.421,7 0.68,8 3.774,9 3.856,10 3.622,11 3.398,12 4.891,13 3.355,14 4.281,15 4.408,16 3.885,17 3.75,18 5.651,19 3.703,20 4.457,21 4.594,22 3.966,23 3.883,24 5.691,25 3.809,26 4.56,27 4.738,28 3.923,29 3.826,30 5.803,31 3.74,32 4.515,33 4.706,34 3.902,35 3.724,36 5.786,37 3.651,38 4.333,39 4.471,40 3.797,41 3.658,42 5.744,43 3.598,44 4.409,45 4.596,46 3.467,47 3.582,48 5.694,49 3.513,50 4.204,51 4.406,52 3.116,53 3.42,54 5.308,55 3.311,56 0.088,57 0.561,58 9.266,59 3.926,60 14.354,61 4.199,62 0.35,63 0.872,64 14.953,65 6.355,66 50.838,67 7.075,68 0.232,69 1.061,70 18.741,71 7.946,72 30.465,73 8.555,74 0.355,75 1.149,76 24.347,77 8.651,78 48.72,79 9.543,80 0.528,81 1.04,82 23.059,83 7.996,84 69.873,85 8.75,86 0.392,87 0.899,88 21.323,89 7.506,90 42.282,91 7.609,92 0.477,93 0.914,94 22.185,95 7.105,96 77.462,97 7.346,98 0.313,99 0.715,100 14.444,101 5.763,102 50.242,103 6.934,104 18,105 36,106 0.297,107 0.614,108 0.751,109 0.841,110 0.841,111 0.841,112 3.189,113 1.02,114 -3.37,115 -3.35,116 -3.21,120 43.6,121 1,125 1,143 8,144 2,145 3,146 1,147 1,174 8,176 1,177 4,180 2,182 1,185 9,189 8,192 1,194 3,197 6,201 7,204 1,206 4,209 1,213 3,214 5,219 2,222 3,226 2,227 8,232 1,235 4,240 6,247 7,252 3,260 8,264 2,271 5,274 699,275 15.273,276 15.273,277 15.273,278 15.273,279 15.273,280 12.975,281 12.776,282 8.862,283 15.679,284 12.281,285 12.281,286 12.281,287 12.281,288 12.281,289 8.744,290 11.641,291 4.14,292 12.86,293 3.596,294 1.796,295 1.013,296 0.5,297 0.5,298 0.5,299 3.866,305 1,306 1,307 1,308 426,309 3.317,313 185.533,317 97.956,320 1.301,321 28.513,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50,333 200,334 4.864,335 4.686,336 7.313,337 4.329,338 3.405,339 4.721,340 0.86,341 12.541,342 3.135,343 4.509,344 3.149,345 6.525,346 4.007,347 3.037,348 4.447,350 10.279,351 2.925,352 3.837,353 2.617,354 5.296,355 3.402,356 2.403,357 3.396,359 6.635,360 2.399,361 3.634,362 2.559,363 5.267,364 3.198,365 2.266,366 3.057,368 6.516,369 2.108,370 3.451,371 2.184,372 5.088,373 3.015,374 2.039,375 2.837,377 6.106,378 1.981,379 3.063,380 1.662,381 4.674,382 2.569,383 1.574,384 2.271,386 4.626,387 1.563,388 2.9,389 1.463,390 3.872,391 2.381,392 1.417,393 2.092,395 3.104,396 1.364,397 2.5,398 1.168,399 3.601,400 2,401 1.041,402 1.5,404 2.647,405 1,406 2.478,407 1,408 3.414,409 1.988,410 1,411 1.463,413 2.275,414 0.982,415 1.622,416 0.926,417 3.165,418 1.307,419 0.44,420 0.499,422 0.666,423 0.378,424 1.308,425 0.48,426 2.816,427 0.944,428 -0.018,429 -0.023,431 -0.049,432 -0.017,433 1.119,434 0.025,435 2.684,436 0.747,437 -0.232,438 -0.297,440 -0.518,441 -0.225,442 1,443 -0.306,444 2.536,445 0.405,446 -0.551,447 -0.746,449 -1.322,450 -0.52,451 0.892,452 -0.403,453 2,454 0.295,455 -0.683,456 -0.972,458 -1.822,459 -0.667,460 0.738,461 -0.659,462 2,464 -1,465 -1.5,467 -2.84,468 -1,469 11.133,470 0.484,471 0.68,472 0.03,473 34.25,474 1.489,475 20,476 0.87,477 14.25,478 0.62,479 14.801,480 0.644,481 24.267,482 0.622,483 25.2,484 1.096,485 6.764,486 0.294,487 4.228,488 0.184,489 0.15,490 0.075,491 0.269,496 0.573,497 1.239,498 0.802,499 1.215,500 0.688,501 0.909,502 0.809,503 0.978,504 0.835,505 0.86,506 0.59,507 0.811,508 1.028,509 1.219,510 1.093,511 1.147,512 0.953,513 1.071,514 1.135,515 1.206,516 1.161,517 1.179,518 1.234,519 1.056,520 1.31,521 0.853,522 0.896,523 0.819,524 1.498,525 0.812,526 1.067,527 1.215,528 1.444,529 1.404,530 1.019,531 1.052,532 1.813,533 0.805,534 1.358,535 0.925,536 2.052,537 0.948,538 1.31,539 0.833,540 0.928,541 0.801,542 1.396,543 1.096,544 6,545 0.066,546 3.111,547 1.875,548 1.529,549 1.139,550 0.57,551 0.276,552 0.131,553 0.138,554 5097,555 14909,556 2.031,557 41,558 3,559 11,561 1,562 1,567 1.662,568 1.878,569 3.093,570 -0.284,572 1,574 1,575 65.889,576 1.689,577 3.49,578 4.272,579 4.785,580 4.785,581 4.785,582 2.525,583 4.056,584 4.496,585 3.225,586 816.019,587 7.768,588 9056.94,589 1,590 1,591 1,592 1,593 206.131,594 1.631,595 4.433,596 0.24,597 0.011,598 0.086,599 0.051,600 0.046,601 0.037,602 0.018,603 0.012,604 0.008,605 0.013,606 0.521,607 0.33,608 1,609 0.832,610 105.804,611 0.092,612 -0.129,613 0.229,614 -0.102,615 -0.173,616 0.019,617 0.18,618 0.069,619 0.082,620 0.116,621 0.263,622 0.099,623 -0.102,624 -0.167,625 -0.093,626 -0.122,627 -0.048,628 -0.144,629 -0.07,630 -0.168,631 -0.055,632 -0.139,633 -0.059,634 -0.105,635 0.003,636 0.145,637 0.164,638 0.163,639 -0.081,640 0.13,641 0.156,642 -0.164,643 -0.171,644 -0.234,645 0.236,646 -0.101,647 -0.411,648 0.18,649 -0.343,650 0.03,651 -0.329,652 -0.026,653 -0.262,654 0.041,655 -0.22,656 0.008,657 -0.286,658 -0.139,659 4.609,660 5.576,661 0.696,662 15.921,663 1.011,664 1.114,665 2.14,666 4.58,667 0.701,668 3.258,669 3.611,670 3.85,671 4.094,672 4.357,673 4.431,674 4.419,675 4.443,676 4.489,677 4.382,678 5.229,679 0.668,680 328.42,681 3.258,682 4.812,683 5.659,684 6.553,685 7.422,686 8.321,687 9.198,688 10.099,689 10.979,690 11.881,691 5.1,696 1,701 1,708 2,709 9,710 1,714 4,716 17,735 1,738 39,739 19,740 2,741 25,743 41,744 17,745 15,746 6,747 6,752 3,753 4,759 1,768 15,769 2,772 2,776 1,778 2,785 1,786 1,789 16,790 5,791 1,792 6,793 1,797 2,803 0.667,804 3,816 1,823 3,827 1,855 2,857 1,859 2,862 23,866 1,871 1,872 1,886 7.7,889 2,891 1,893 12.25,894 7.617,895 5.014,896 2.096,898 3.282,899 1.476,900 1.003,901 4.138,902 10.175,903 3.597,904 4.29,905 4.854,906 5.455,907 6.054,908 6.357,909 6.636,910 6.947,911 7.303,912 7.31,913 0.833,914 37,915 8.721,917 3.94,918 7.931,919 15.97,921 13.074,924 2.431,925 55.917,929 176.567,930 127.827,931 33.191,933 55.313,935 5.807,936 122.019,937 231.879,938 33.191,939 19.708,941 81.617,942 89.275,943 37.501,945 164.795,947 176.567,948 155.21,949 55.313,950 5.807,952 176.567,953 55.313,956 20.017,957 102.002,958 38.998,960 176.567,961 88.503,962 127.827,964 5.807,965 176.567,966 17.454,967 104.566,968 16.405,969 72.098,970 176.567,971 88.503,972 127.827,973 0.589,974 0.34,975 0.177,976 0.105,977 18,978 8,979 0.098,980 4,981 1,982 1.125,983 3.401,984 186.71,985 0.125,986 16,987 98.042,992 1,993 15.629,994 6.09,995 3.247,996 1.373,997 88.503,998 15.383,999 4.266,1003 2.153,1005 16.405,1006 392.897,1007 35.5,1011 -3.692,1013 25.153,1020 39.447,1021 43.451,1022 0.32,1023 0.66,1024 0.808,1025 0.905,1026 0.905,1027 0.905,1028 4.83,1029 1.041,1030 5.694,1031 3.104,1032 4.29,1033 4.977,1034 0.908,1035 6.561,1036 4.203,1037 6.101,1038 1,1039 7.298,1040 2.647,1041 4.111,1042 5.121,1044 7.811,1045 3.94,1046 7.471,1047 0.44,1048 9.017,1049 2.275,1050 5.994,1051 7.382,1052 0.739,1053 10.84,1054 5.796,1055 8.886,1056 -0.018,1057 10.809,1058 0.666,1059 6.608,1060 8.314,1062 12.903,1063 6.298,1064 10.334,1065 -0.232,1066 12.647,1067 -0.049,1068 8.036,1069 10.117,1070 0.593,1071 15.553,1072 7.697,1073 11.808,1074 -0.551,1075 14.52,1076 -0.518,1077 8.992,1078 11.388,1080 17.906,1081 8.539,1082 13.301,1083 -0.683,1084 16.416,1085 -1.322,1086 10.264,1087 13.025,1088 0.469,1089 20.454,1090 9.764,1091 3.405,1092 -1,1093 18.331,1094 -1.822,1095 11.365,1096 14.444,1098 22.908,1099 10.76,1100 3.037,1101 12.541,1102 20.26,1103 -2.84,1104 12.586,1105 16.017,1106 0.366,1107 25.43,1108 11.919,1109 2.403,1110 10.279,1111 22.2,1112 4.721,1113 13.748,1114 17.501,1116 27.923,1117 12.984,1118 2.266,1119 6.635,1120 24.149,1121 4.447,1122 14.955,1123 19.049,1124 0.283,1125 30.44,1126 14.118,1127 2.039,1128 6.516,1129 26.104,1130 3.396,1131 16.144,1132 20.561,1134 32.949,1135 15.216,1136 1.574,1137 6.106,1138 28.064,1139 3.057,1140 17.35,1141 22.101,1142 0.217,1143 35.467,1144 16.342,1145 1.417,1146 4.626,1147 30.029,1148 2.837,1149 18.551,1150 23.626,1152 37.984,1153 17.455,1154 5028,1155 8760,1156 16.296,1157 27.352,1158 37.318,1159 38.728,1160 38.832,1161 37.192,1162 37.245,1163 52.566,1164 1.72,1165 110.791,1166 35.671,1167 5.697,1168 6.686,1169 6.995,1170 5.382,1171 5.405,1172 7.721,1173 1.72,1174 19.998,1175 5.135,1176 11.661,1177 1.493,1178 1.549,1179 1.553,1180 1.488,1181 1.49,1182 2.103,1183 0.069,1184 4.432,1185 1.427,1186 4.132,1187 4.135,1188 4.737,1189 4.096,1190 7.717,1191 4.044,1192 3.991,1193 3.994,1194 4.012,1195 3.947,1196 6.999,1197 3.922,1198 3.665,1199 3.659,1200 3.726,1201 3.594,1202 5.017,1203 3.521,1204 3.486,1205 3.515,1206 3.409,1207 3.349,1208 4.703,1209 3.348,1210 3.178,1211 3.249,1212 3.026,1213 2.952,1214 4.66,1215 2.957,1216 3.052,1217 3.137,1218 2.859,1219 2.864,1220 4.17,1221 2.841,1222 2.94,1223 2.991,1224 2.828,1225 2.784,1226 3.96,1227 2.767,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.824,1233 2.715,1234 0.195,1235 0.187,1236 0.293,1237 0.173,1238 0.136,1239 4.864,1240 0.189,1241 4.686,1242 0.034,1243 7.313,1244 0.502,1245 4.329,1246 0.125,1247 3.405,1248 4.721,1249 0.86,1250 12.541,1251 3.135,1252 2.043,1253 2.032,1254 2.092,1255 2.133,1256 1.241,1257 2.138,1258 1.951,1259 1.945,1260 2.023,1261 2.015,1262 1.171,1263 2.043,1264 1.533,1265 1.542,1266 1.651,1267 1.685,1268 0.769,1269 1.721,1270 1.424,1271 1.404,1272 1.542,1273 1.625,1274 0.653,1275 1.634,1276 1.157,1277 1.08,1278 1.505,1279 1.407,1280 0.552,1281 1.445,1282 1.049,1283 0.974,1284 1.208,1285 1.289,1286 0.379,1287 1.334,1288 0.891,1289 0.849,1290 1.181,1291 1.085,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 0.967,1297 1.062,1298 0.153,1299 1.1,1300 3.932,1302 5.273,1304 6.819,1306 8.455,1308 10.138,1310 3.444,1317 2.601,1318 5.236,1326 26.062,1327 65.889,1328 136.092,1329 166.621,1330 186.621,1331 186.621,1332 186.621,1333 43.453,1334 6.893,1335 68.29,1336 76.67,1337 18,1338 12.406,1339 4.322,1340 3.524,1341 36.631,1342 71,1343 79,1344 0.255,1345 164.949,1346 278.64,1347 394.236,1348 8115,1350 16.449,1351 0.715,1352 0.591,1353 16.699,1354 13.593,1355 10.992,1356 0.44,1357 0.34,1358 7.046,1359 9.833,1360 6.675,1361 5.601,1362 11.813,1363 8.5,1364 10.364,1365 0.288,1366 0.19,1367 11.664,1368 6.851,1369 8.332,1370 0.181,1371 0.106,1372 9.423,1373 4.871,1374 6.729,1375 0.114,1376 0.057,1377 7.742,1378 3.339,1379 5.599,1380 0.073,1381 0.033,1382 6.572,1383 2.511,1384 0.388,1385 77.116,1386 0.248,1387 22.152,1388 0.739,1389 122,1390 388.045,1391 169.508,1392 395.386,1393 535.38,1394 364,1395 143,1396 365.114,1397 198.913,1398 410.044,1399 592.92,1400 381,1401 4.614}
{0 CHEMBL1446353,1 1.648,2 10.679,3 2.853,4 8.14,5 98.362,6 9.408,7 0.548,8 3.842,9 3.909,10 3.587,11 3.442,12 5.207,13 3.468,14 4.32,15 4.403,16 3.997,17 3.86,18 5.853,19 3.875,20 4.598,21 4.71,22 4.155,23 4.032,24 5.981,25 4.046,26 4.753,27 4.883,28 4.154,29 3.984,30 6.29,31 4.017,32 4.645,33 4.788,34 4.009,35 3.854,36 6.12,37 3.883,38 4.503,39 4.649,40 3.827,41 3.682,42 5.995,43 3.7,44 4.345,45 4.473,46 3.673,47 3.521,48 6.148,49 3.523,50 4.059,51 4.229,52 3.399,53 3.405,54 5.292,55 3.373,56 0.238,57 0.534,58 4.263,59 3.301,60 32.646,61 3.049,62 0.49,63 0.857,64 7.812,65 5.467,66 86.373,67 5.335,68 0.486,69 1.116,70 12.174,71 7.68,72 89.225,73 7.726,74 0.958,75 1.267,76 18.516,77 8.436,78 178.304,79 7.443,80 0.803,81 1.13,82 17.5,83 7.819,84 143.649,85 7.266,86 0.771,87 0.958,88 15.977,89 7.006,90 138.845,91 6.757,92 1.006,93 0.784,94 14.083,95 5.808,96 201.527,97 5.507,98 0.313,99 0.642,100 9.635,101 4.827,102 55.329,103 5.586,104 41,105 46,106 0.283,107 0.594,108 0.706,109 0.811,110 0.846,111 0.854,112 3.375,113 0.8,114 -4.89,115 -4.8,116 -4.5,120 50,126 1,143 9,144 6,145 1,159 3,167 2,168 1,172 1,174 15,175 1,176 3,177 8,180 1,182 1,185 17,186 2,189 18,194 2,197 12,198 2,200 1,201 24,206 2,209 7,210 1,214 18,219 1,222 9,226 3,227 8,228 1,235 13,239 7,240 2,243 1,247 15,252 1,253 2,260 11,261 2,263 2,264 6,267 2,269 2,271 5,272 3,274 1126,275 18.552,276 18.552,277 18.552,278 18.552,279 18.552,280 15.973,281 17.535,282 10.502,283 18.665,284 15.225,285 15.225,286 15.225,287 15.225,288 15.225,289 11.161,290 18.956,291 4.891,292 15.363,293 3.674,294 1.864,295 1.213,296 0.6,297 0.4,298 0.35,299 4.068,305 1,306 1,307 1,308 645,309 3.464,313 253.247,317 297.444,319 122.925,320 1.679,321 54.606,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 63,333 299,334 4.795,335 3.941,336 7.149,337 4.397,338 3.404,339 4.737,340 2.612,341 12.467,342 3.378,343 4.285,344 3.795,345 6.512,346 3.896,347 2.922,348 3.843,349 1.437,350 10.066,351 2.845,352 4.16,353 3.576,354 5.976,355 3.771,356 2.771,357 3.753,358 1.372,359 8.291,360 2.758,361 3.854,362 3.336,363 5.939,364 3.463,365 2.469,366 3.245,367 0.8,368 8.101,369 2.468,370 3.775,371 2.972,372 5.915,373 3.401,374 2.395,375 3.141,376 0.45,377 7.972,378 2.385,379 3.629,380 2.713,381 5.281,382 3.187,383 2.196,384 2.987,386 6.609,387 2.166,388 3.193,389 2.077,390 4.897,391 2.678,392 1.689,393 2.43,395 4.929,396 1.667,397 2.947,398 1.98,399 4.026,400 2.366,401 1.352,402 2.074,404 3.148,405 1.366,406 2.785,407 1.832,408 4,409 2.269,410 1.262,411 1.903,413 3.044,414 1.258,415 2.761,416 1.573,417 3.793,418 2.248,419 1.246,420 1.773,422 2.95,423 1.241,424 2.5,425 1.329,426 3.533,427 2,428 1,429 1.5,431 2.275,432 1,433 2.285,434 1.173,435 3.434,436 1.7,437 0.662,438 1.034,440 1.719,441 0.682,442 1.961,443 1,444 3.414,445 1.549,446 0.526,447 0.68,449 1.408,450 0.53,451 1.256,452 1,453 2.778,454 0.76,455 -0.251,456 -0.341,458 -0.631,459 -0.252,460 1.093,461 0.492,462 2.64,463 0.718,464 -0.296,465 -0.402,467 -0.731,468 -0.297,469 12.8,470 0.457,471 0.878,472 0.031,473 41.5,474 1.482,475 23.5,476 0.839,477 18,478 0.643,479 18.236,480 0.651,481 28.6,482 0.715,483 35.317,484 1.261,485 8.496,486 0.303,487 4.884,488 0.174,489 0.156,491 0.453,496 0.522,497 0.944,498 0.58,499 0.808,500 0.575,501 0.75,502 0.412,503 0.937,504 0.651,505 0.881,506 0.43,507 0.867,508 0.689,509 1.23,510 0.774,511 1.163,512 0.654,513 1.053,514 1.179,515 1.088,516 1.114,517 1.02,518 1.101,519 1.024,520 1.181,521 1.09,522 1.093,523 1.059,524 1.127,525 1.038,526 1.138,527 0.923,528 1.113,529 1.033,530 1.243,531 1.06,532 0.93,533 0.674,534 1.19,535 0.78,536 1.081,537 1.014,538 0.568,539 0.986,540 0.862,541 1.105,542 0.543,543 1.098,544 5.5,545 0.149,546 4,547 2.688,548 2.507,549 1.424,550 0.848,551 0.378,552 0.295,553 0.245,554 8965,555 34894,556 2.051,557 30,559 11,562 1,567 1.712,568 1.867,569 3.34,570 -0.288,571 1,572 1,575 65.909,576 1.648,577 3.458,578 4.109,579 4.722,580 4.922,581 4.972,582 2.867,583 4.138,584 4.773,585 3.513,586 1327.96,587 8.313,588 16667.8,589 1,590 1,592 1,593 212.877,594 1.531,595 4.711,596 0.177,597 0.009,598 0.087,599 0.051,600 0.05,601 0.033,602 0.024,603 0.013,604 0.012,605 0.011,606 0.468,607 0.17,608 1,609 0.92,610 138.35,611 0.072,612 0.1,613 0.017,614 0.112,615 -0.041,616 0.053,617 0.22,618 0.091,619 0.024,620 0.054,621 0.169,622 -0.014,623 -0.022,624 -0.249,625 0.027,626 -0.199,627 0.003,628 -0.108,629 -0.194,630 -0.087,631 -0.14,632 -0.062,633 -0.111,634 -0.066,635 -0.214,636 -0.108,637 -0.077,638 -0.084,639 -0.15,640 -0.036,641 -0.121,642 0.032,643 -0.051,644 -0.039,645 -0.176,646 -0.029,647 0.238,648 0.274,649 -0.117,650 0.217,651 0.131,652 -0.014,653 0.053,654 -0.036,655 0.134,656 -0.088,657 0.026,658 0.02,659 2.737,660 5.915,661 0.679,662 25.418,663 1.04,664 1.108,665 3.664,666 13.422,667 0.714,668 3.466,669 3.85,670 4.19,671 4.5,672 4.82,673 4.984,674 5.153,675 5.308,676 5.485,677 5.476,678 6.152,679 0.724,680 376.34,681 3.466,682 5.043,683 5.932,684 6.847,685 7.758,686 8.68,687 9.6,688 10.527,689 11.452,690 12.382,691 5,698 1,702 1,708 2,709 9,714 5,716 17,725 1,731 1,738 40,739 22,740 3,741 31,743 43,744 20,745 16,746 7,747 9,748 3,752 4,753 8,768 19,769 1,772 5,775 1,778 5,782 3,785 1,786 1,789 12,790 7,791 1,792 8,797 2,800 1,803 0.5,804 6,823 4,827 3,829 1,853 1,855 2,862 28,868 1,869 1,875 1,886 15,888 1,889 3,892 2,893 15,894 7.433,895 6.028,896 2.276,898 3.676,899 1.461,900 0.987,901 4.175,902 11.651,903 3.818,904 4.477,905 5.119,906 5.76,907 6.389,908 6.783,909 7.234,910 7.579,911 8.03,912 8.221,913 1,914 53,915 10.449,917 4.823,918 8.399,919 18.639,921 15.664,924 2.899,925 81.167,928 1,929 129.482,930 118.356,931 8.794,933 168.865,936 118.356,937 298.347,938 8.794,939 5.67,940 5.23,941 85.286,942 128.437,943 20.645,945 129.482,946 50.747,947 129.482,948 127.15,949 168.865,952 129.482,953 118.118,954 50.747,956 5.23,957 116.25,958 5.67,960 129.482,961 177.659,962 118.356,965 129.482,966 33.07,967 94.081,969 168.865,970 129.482,971 177.659,972 118.356,973 0.599,974 0.364,975 0.196,976 0.112,977 24,978 12,979 0.093,980 4,981 3,982 1.263,983 3.761,984 260.049,985 0.316,986 18,987 122.606,993 17.835,994 6.554,995 2.86,996 0.524,997 171.989,998 13.081,1003 0.96,1005 42.683,1006 425.498,1007 44.5,1010 -0.547,1013 59.332,1017 -2.171,1020 41.585,1021 44.329,1022 0.31,1023 0.65,1024 0.772,1025 0.887,1026 0.925,1027 0.934,1028 5.077,1029 1.352,1030 5.958,1031 4.929,1032 4.533,1033 5.165,1034 3.076,1035 6.853,1036 4.516,1037 6.329,1038 1.262,1039 7.577,1040 3.148,1041 4.29,1042 5.165,1043 2.396,1044 7.93,1045 4.261,1046 7.673,1047 1.246,1048 9.297,1049 3.044,1050 6.209,1051 7.458,1052 4.374,1053 11.082,1054 6.169,1055 9.054,1056 1,1057 11.074,1058 2.95,1059 6.758,1060 8.264,1061 4.525,1062 12.969,1063 6.707,1064 10.465,1065 0.662,1066 12.887,1067 2.275,1068 8.193,1069 10.073,1070 6.02,1071 15.678,1072 8.132,1073 11.899,1074 0.526,1075 14.726,1076 1.719,1077 9.093,1078 11.256,1079 6.563,1080 17.912,1081 9.022,1082 13.352,1083 -0.251,1084 16.583,1085 1.408,1086 10.356,1087 12.887,1088 7.816,1089 20.481,1090 10.276,1091 3.404,1092 -0.296,1093 18.454,1094 -0.631,1095 11.418,1096 14.255,1097 8.55,1098 22.872,1099 11.328,1100 2.922,1101 12.467,1102 20.337,1103 -0.731,1104 12.626,1105 15.822,1106 9.676,1107 25.399,1108 12.528,1109 2.771,1110 10.066,1111 22.229,1112 4.737,1113 13.763,1114 17.282,1115 10.509,1116 27.859,1117 13.657,1118 2.469,1119 8.291,1120 24.131,1121 3.843,1122 14.959,1123 18.828,1124 11.565,1125 30.375,1126 14.846,1127 2.395,1128 8.101,1129 26.039,1130 3.753,1131 16.132,1132 20.333,1133 12.452,1134 32.867,1135 16.012,1136 2.196,1137 7.972,1138 27.955,1139 3.245,1140 17.331,1141 21.877,1142 13.468,1143 35.382,1144 17.204,1145 1.689,1146 6.609,1147 29.876,1148 3.141,1149 18.523,1150 23.404,1151 14.386,1152 37.889,1153 18.39,1154 8688,1155 17243,1156 20.115,1157 28.545,1158 48.54,1159 51.701,1160 50.577,1161 47.851,1162 47.788,1163 66.2,1164 13.343,1165 145.959,1166 47.487,1167 5.697,1168 5.941,1169 6.659,1170 5.436,1171 5.404,1172 7.737,1173 4.612,1174 20.467,1175 5.378,1176 16.709,1177 1.566,1178 1.668,1179 1.632,1180 1.544,1181 1.542,1182 2.135,1183 0.43,1184 4.708,1185 1.532,1186 4.168,1187 4.183,1188 4.147,1189 4.099,1190 7.815,1191 4.106,1192 3.936,1193 3.959,1194 3.883,1195 3.872,1196 7.475,1197 3.87,1198 3.702,1199 3.72,1200 3.692,1201 3.444,1202 7.444,1203 3.477,1204 3.519,1205 3.55,1206 3.459,1207 3.375,1208 7.411,1209 3.396,1210 3.371,1211 3.388,1212 3.321,1213 3.119,1214 6.999,1215 3.159,1216 3.243,1217 3.235,1218 3.208,1219 2.88,1220 6.351,1221 2.977,1222 2.922,1223 2.95,1224 2.852,1225 2.735,1226 4.817,1227 2.722,1228 2.854,1229 2.925,1230 2.741,1231 2.689,1232 4.685,1233 2.715,1234 0.155,1235 0.127,1236 0.231,1237 0.142,1238 0.11,1239 4.795,1240 0.153,1241 3.941,1242 0.084,1243 7.149,1244 0.402,1245 4.397,1246 0.109,1247 3.404,1248 4.737,1249 2.612,1250 12.467,1251 3.378,1252 2.114,1253 2.102,1254 2.163,1255 2.205,1256 1.346,1257 2.186,1258 1.921,1259 1.899,1260 2.026,1261 2.011,1262 1.167,1263 2.014,1264 1.532,1265 1.506,1266 1.659,1267 1.844,1268 0.738,1269 1.747,1270 1.467,1271 1.438,1272 1.581,1273 1.644,1274 0.71,1275 1.631,1276 1.217,1277 1.203,1278 1.33,1279 1.508,1280 0.418,1281 1.463,1282 1.017,1283 1.007,1284 1.181,1285 1.383,1286 0.218,1287 1.306,1288 0.886,1289 0.821,1290 1.107,1291 1.108,1292 0.071,1293 1.107,1294 0.823,1295 0.794,1296 1.033,1297 1.062,1298 0.006,1299 1.1,1300 4.143,1302 5.509,1304 7.088,1306 8.769,1308 10.51,1314 8.97,1315 -0.037,1321 1.054,1326 28.966,1327 65.909,1328 138.309,1329 164.348,1330 188.877,1331 196.877,1332 198.877,1333 77.115,1334 7.975,1335 122.19,1336 122.19,1337 24,1338 12.885,1339 4.524,1340 3.858,1341 42.411,1342 103,1343 114,1344 0.209,1345 175.481,1346 315.48,1347 419.934,1348 30725,1350 19.999,1351 0.714,1352 0.51,1353 19.999,1354 14.286,1355 13.38,1356 0.432,1357 0.267,1358 8.142,1359 12.775,1360 8.018,1361 6.583,1362 13.38,1363 8.268,1364 12.628,1365 0.275,1366 0.137,1367 12.628,1368 6.316,1369 10.939,1370 0.168,1371 0.072,1372 10.939,1373 4.707,1374 9.291,1375 0.104,1376 0.038,1377 9.291,1378 3.369,1379 7.903,1380 0.064,1381 0.02,1382 7.903,1383 2.454,1384 0.321,1385 85.025,1386 0.223,1387 26.267,1388 0.592,1389 154,1390 574.118,1391 171.781,1392 546.1,1393 717.89,1394 500,1395 188,1396 515.825,1397 205.289,1398 515.552,1399 758.5,1400 483,1401 5.185}
{0 CHEMBL1446403,1 1.607,2 10.778,3 4.558,4 20.773,5 108.308,6 8.662,7 0.677,8 3.895,9 3.994,10 3.655,11 3.558,12 5.038,13 3.523,14 4.396,15 4.536,16 4.101,17 3.951,18 5.511,19 3.91,20 4.55,21 4.712,22 4.117,23 4.033,24 5.676,25 3.977,26 4.609,27 4.788,28 4.029,29 4.04,30 5.723,31 3.948,32 4.585,33 4.764,34 3.987,35 4.027,36 5.677,37 3.905,38 4.601,39 4.815,40 3.769,41 3.908,42 5.641,43 3.768,44 4.421,45 4.641,46 3.608,47 3.704,48 5.445,49 3.58,50 4.224,51 4.429,52 3.567,53 3.572,54 5.347,55 3.484,56 0.008,57 0.627,58 6.738,59 3.592,60 4.782,61 4.166,62 0.166,63 1.089,64 14.33,65 6.11,66 11.861,67 7.329,68 0.178,69 1.247,70 18.665,71 7.381,72 16.089,73 8.061,74 0.2,75 1.27,76 19.101,77 8.228,78 26.876,79 9.684,80 0.192,81 1.259,82 23.007,83 8.997,84 27.704,85 9.925,86 0.259,87 1.223,88 26.795,89 10.239,90 34.225,91 11.891,92 0.235,93 1.045,94 21.923,95 8.002,96 32.49,97 9.247,98 0.245,99 0.869,100 15.589,101 5.855,102 31.915,103 6.714,104 10,105 46,106 0.273,107 0.602,108 0.738,109 0.841,110 0.883,111 0.883,112 3.341,113 0.916,114 -4.78,115 -4.69,116 -4.4,120 48.8,121 2,136 1,139 1,143 8,144 1,146 1,147 1,148 1,153 3,159 1,163 1,174 7,176 3,177 11,185 7,189 10,197 5,200 1,201 11,209 9,214 7,222 9,226 2,227 4,235 9,239 1,240 4,247 6,251 2,252 4,260 5,263 1,264 5,271 5,274 998,275 18.499,276 18.499,277 18.499,278 18.499,279 18.499,280 15.69,281 14.612,282 10.696,283 18.977,284 15.312,285 15.312,286 15.312,287 15.312,288 15.312,289 11.031,290 12.085,291 5.088,292 16.155,293 3.82,294 1.877,295 1.076,296 0.471,297 0.221,298 0.221,299 4.051,306 1,307 1,308 659,309 2.55,312 158.708,313 150.752,315 76.421,316 95.728,319 126.203,320 1.564,321 18.541,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 57,333 291,334 4.738,335 4.669,336 7.006,337 4.275,338 3.347,339 4.637,340 2.95,341 11.95,342 3.118,343 4.593,344 3.422,345 6.857,346 4.166,347 3.221,348 4.344,349 0.98,350 11.316,351 3.043,352 4.091,353 3.37,354 6.069,355 3.627,356 2.664,357 3.587,359 8.718,360 2.557,361 3.809,362 3.199,363 5.725,364 3.37,365 2.403,366 3.332,368 7.588,369 2.317,370 3.426,371 2.603,372 5.291,373 2.941,374 1.984,375 2.771,377 6.105,378 1.9,379 3.274,380 2.474,381 5.039,382 2.804,383 1.878,384 2.552,386 5.685,387 1.727,388 3.146,389 2.121,390 4.973,391 2.686,392 1.749,393 2.372,395 5.289,396 1.621,397 2.973,398 1.709,399 4.522,400 2.54,401 1.565,402 2.151,404 4.156,405 1.521,406 2.849,407 1.679,408 4.176,409 2.35,410 1.381,411 1.996,413 3.341,414 1.322,415 2.733,416 1.465,417 3.615,418 2.219,419 1.231,420 1.745,422 2.902,423 1.207,424 2.5,425 1.296,426 3.585,427 2.01,428 1.058,429 1.5,431 2.727,432 0.991,433 2.496,434 1,435 3.247,436 1.957,437 1,438 1.459,440 2.136,441 0.954,442 1.938,443 0.928,444 3.221,445 1.349,446 0.363,447 0.556,449 0.923,450 0.353,451 1.344,452 0.458,453 3.029,454 1.002,455 0.07,456 0.084,458 0.194,459 0.064,460 1.072,461 0.328,462 2.605,463 0.727,464 -0.222,465 -0.274,467 -0.562,468 -0.209,469 13.267,470 0.491,471 0.713,472 0.026,473 39.75,474 1.472,475 21.5,476 0.796,477 18.25,478 0.676,479 20.353,480 0.754,481 26.333,482 0.612,483 27.547,484 1.02,485 7.756,486 0.287,487 5.375,488 0.199,489 0.101,491 0.399,496 0.712,497 1.22,498 0.662,499 0.873,500 0.578,501 0.811,502 0.6,503 1.126,504 0.673,505 0.884,506 0.563,507 0.78,508 1.21,509 1.037,510 0.941,511 0.919,512 0.919,513 0.855,514 1.065,515 1.012,516 0.927,517 0.941,518 0.974,519 1.013,520 1.166,521 0.99,522 1.315,523 1.177,524 1.137,525 1.093,526 1.007,527 1.007,528 1.284,529 1.228,530 1.339,531 1.111,532 1.254,533 0.995,534 1.188,535 1.101,536 1.499,537 1.027,538 1.317,539 0.826,540 0.977,541 0.808,542 1.437,543 0.843,544 4.5,545 0.123,546 3.111,547 3.563,548 1.478,549 0.928,550 0.557,551 0.384,552 0.28,553 0.23,554 9395,555 24396,556 2.184,557 37.2,559 9,561 1,563 6,567 1.7,568 2.051,569 3.393,570 -0.769,575 69.091,576 1.607,577 3.549,578 4.35,579 4.955,580 5.205,581 5.205,582 2.847,583 4.236,584 4.728,585 3.52,586 1235.54,587 8.201,588 15385.4,590 1,593 233.329,594 1.388,595 4.691,596 0.145,597 0.007,598 0.068,599 0.077,600 0.036,601 0.025,602 0.018,603 0.015,604 0.011,605 0.01,606 0.411,607 0.33,608 0.88,609 0.528,610 132.722,611 -0.009,612 -0.208,613 0.074,614 -0.03,615 -0.069,616 -0.004,617 0.275,618 -0.076,619 0.206,620 0.02,621 0.056,622 0.078,623 -0.136,624 0.028,625 0.005,626 0.014,627 -0.012,628 0.021,629 -0.043,630 -0.022,631 -0.021,632 -0.011,633 0.052,634 -0.083,635 -0.162,636 0.014,637 -0.145,638 -0.08,639 -0.076,640 -0.115,641 0.075,642 -0.079,643 -0.098,644 -0.109,645 -0.025,646 -0.048,647 -0.068,648 -0.037,649 -0.049,650 -0.028,651 -0.126,652 0.014,653 -0.013,654 0.184,655 0.031,656 0.168,657 -0.012,658 0.123,659 1.689,660 5.964,661 0.852,662 23.067,663 1.003,664 1.107,665 3.546,666 12.575,667 0.737,668 3.466,669 3.85,670 4.22,671 4.575,672 4.771,673 4.875,674 5.094,675 5.226,676 5.298,677 5.447,678 6.198,679 0.701,680 372.48,681 3.466,682 5.043,683 5.943,684 6.864,685 7.779,686 8.707,687 9.629,688 10.559,689 11.485,690 12.416,691 9.3,699 2,701 2,708 2,709 9,710 2,714 5,715 2,716 21,738 43,739 23,740 1,741 31,743 47,744 21,745 16,746 2,747 4,748 3,752 5,753 8,759 2,768 19,769 2,772 2,778 1,780 1,782 2,786 1,789 16,790 3,792 6,793 1,794 1,797 4,803 0.6,804 1,816 1,818 1,822 3,823 2,825 1,826 1,829 1,845 2,855 3,856 1,857 1,859 2,862 27,873 1,886 2.3,889 1,893 13.167,894 8.717,895 5.75,896 2.579,898 4.663,899 1.577,900 1.064,901 3.728,902 12.752,903 3.795,904 4.489,905 5.183,906 5.859,907 6.37,908 6.741,909 7.246,910 7.691,911 7.997,912 8.453,913 1,914 46,915 9.966,917 4.367,918 7.642,919 19.142,921 16.203,924 2.142,925 57.833,928 1,929 188.338,930 166.467,931 37.369,933 25.145,935 32.22,936 134.248,937 213.483,938 37.369,939 17.65,941 85.286,942 76.742,943 18.868,944 9.986,945 208.786,947 188.338,948 171.617,949 25.145,950 32.22,952 188.338,953 25.145,956 33.333,957 93.686,958 44.598,959 32.22,960 188.338,961 62.514,962 166.467,965 188.338,966 54.483,967 115.782,969 58.716,970 188.338,971 62.514,972 166.467,973 0.594,974 0.367,975 0.215,976 0.113,977 26,978 11,979 0.043,980 2,981 2,982 1.174,983 3.9,984 250.276,985 0.174,986 23,987 128.382,989 1,993 16.398,994 6.138,995 2.535,996 1.702,997 58.716,998 17.449,999 9.022,1003 4.759,1004 3.8,1006 417.319,1007 43.5,1013 12.964,1015 1.957,1017 0.663,1020 43.113,1021 47.614,1022 0.296,1023 0.654,1024 0.802,1025 0.913,1026 0.959,1027 0.959,1028 5.051,1029 1.565,1030 5.953,1031 5.289,1032 4.533,1033 5.176,1034 3.012,1035 6.849,1036 4.427,1037 6.302,1038 1.381,1039 7.562,1040 4.156,1041 4.205,1042 5.075,1044 7.888,1045 4.031,1046 7.645,1047 1.231,1048 9.273,1049 3.341,1050 6.201,1051 7.487,1052 5.039,1053 11.069,1054 5.978,1055 9.028,1056 1.058,1057 11.045,1058 2.902,1059 6.735,1060 8.255,1062 12.974,1063 6.432,1064 10.447,1065 1,1066 12.856,1067 2.727,1068 8.208,1069 10.121,1070 7.186,1071 15.669,1072 7.858,1073 11.893,1074 0.363,1075 14.694,1076 2.136,1077 9.124,1078 11.295,1080 17.914,1081 8.692,1082 13.359,1083 0.07,1084 16.553,1085 0.923,1086 10.407,1087 12.944,1088 9.348,1089 20.451,1090 9.923,1091 3.347,1092 -0.222,1093 18.427,1094 0.194,1095 11.485,1096 14.305,1098 22.828,1099 10.921,1100 3.221,1101 11.95,1102 20.313,1103 -0.562,1104 12.703,1105 15.867,1106 11.511,1107 25.313,1108 12.08,1109 2.664,1110 11.316,1111 22.209,1112 4.637,1113 13.847,1114 17.313,1116 27.742,1117 13.148,1118 2.403,1119 8.718,1120 24.112,1121 4.344,1122 15.043,1123 18.843,1124 13.675,1125 30.211,1126 14.281,1127 1.984,1128 7.588,1129 26.021,1130 3.587,1131 16.215,1132 20.327,1134 32.66,1135 15.381,1136 1.878,1137 6.105,1138 27.935,1139 3.332,1140 17.406,1141 21.847,1142 15.838,1143 35.124,1144 16.506,1145 1.749,1146 5.685,1147 29.853,1148 2.771,1149 18.589,1150 23.348,1152 37.582,1153 17.619,1154 8596,1155 14035,1156 21.096,1157 31.693,1158 48.647,1159 51.338,1160 49.612,1161 47.858,1162 47.827,1163 66.174,1164 7.86,1165 146.059,1166 45.395,1167 5.578,1168 6.669,1169 6.808,1170 5.444,1171 5.347,1172 7.637,1173 5.9,1174 19.418,1175 5.118,1176 11.008,1177 1.569,1178 1.656,1179 1.6,1180 1.544,1181 1.543,1182 2.135,1183 0.254,1184 4.712,1185 1.464,1186 4.151,1187 4.183,1188 4.243,1189 4.049,1190 7.428,1191 4.052,1192 4.039,1193 4.081,1194 4.006,1195 3.92,1196 5.008,1197 3.935,1198 3.759,1199 3.797,1200 3.755,1201 3.678,1202 4.946,1203 3.673,1204 3.588,1205 3.609,1206 3.639,1207 3.521,1208 4.655,1209 3.494,1210 3.218,1211 3.303,1212 3.102,1213 3.07,1214 4.333,1215 3.065,1216 3.143,1217 3.208,1218 3.001,1219 2.985,1220 4.021,1221 2.97,1222 2.943,1223 3.003,1224 2.952,1225 2.794,1226 3.852,1227 2.792,1228 2.857,1229 2.947,1230 2.763,1231 2.717,1232 3.828,1233 2.703,1234 0.153,1235 0.151,1236 0.226,1237 0.138,1238 0.108,1239 4.738,1240 0.15,1241 4.669,1242 0.095,1243 7.006,1244 0.385,1245 4.275,1246 0.101,1247 3.347,1248 4.637,1249 2.95,1250 11.95,1251 3.118,1252 1.918,1253 1.892,1254 2.01,1255 2.018,1256 1.116,1257 2.015,1258 1.857,1259 1.814,1260 1.965,1261 2.01,1262 1.041,1263 1.999,1264 1.702,1265 1.683,1266 1.822,1267 1.784,1268 0.968,1269 1.798,1270 1.538,1271 1.48,1272 1.752,1273 1.711,1274 0.826,1275 1.727,1276 1.388,1277 1.349,1278 1.52,1279 1.624,1280 0.616,1281 1.583,1282 1.271,1283 1.245,1284 1.354,1285 1.4,1286 0.497,1287 1.438,1288 0.954,1289 0.894,1290 1.17,1291 1.157,1292 0.265,1293 1.169,1294 0.872,1295 0.799,1296 1.147,1297 1.094,1298 0.235,1299 1.123,1300 4.143,1302 5.509,1303 3.434,1304 7.067,1305 5.938,1306 8.713,1307 8.122,1308 10.408,1310 4.095,1319 1.423,1326 30.148,1327 69.091,1328 152.6,1329 187.065,1330 213.065,1331 223.82,1332 223.82,1333 34.452,1334 8.089,1335 52.19,1336 80.43,1337 27,1338 12.918,1339 4.585,1340 3.755,1341 35.842,1342 102,1343 94,1344 0.176,1345 185.346,1346 308.72,1347 444.003,1348 37297,1350 18.543,1351 0.687,1352 0.581,1353 18.897,1354 15.695,1355 13.131,1356 0.424,1357 0.305,1358 8.636,1359 12.331,1360 8.294,1361 6.884,1362 13.539,1363 9.47,1364 12.18,1365 0.265,1366 0.163,1367 12.822,1368 7.493,1369 11.05,1370 0.165,1371 0.086,1372 11.842,1373 5.749,1374 10.027,1375 0.104,1376 0.047,1377 10.991,1378 4.503,1379 7.935,1380 0.068,1381 0.026,1382 8.897,1383 3.039,1384 0.274,1385 85.308,1386 0.218,1387 25.711,1388 0.488,1389 154,1390 417.176,1391 192.997,1392 433.164,1393 616.24,1394 408,1395 190,1396 465.112,1397 227.728,1398 487.732,1399 728.59,1400 461,1401 6.796}
{0 CHEMBL1446405,1 1.773,2 12.091,3 4.883,4 23.847,5 129.478,6 8.908,7 0.568,8 4.113,9 4.208,10 3.87,11 3.737,12 5.262,13 3.706,14 4.618,15 4.759,16 4.269,17 4.101,18 5.745,19 4.053,20 4.786,21 4.942,22 4.302,23 4.206,24 5.948,25 4.148,26 4.871,27 5.024,28 4.285,29 4.234,30 6.086,31 4.177,32 4.918,33 5.1,34 4.237,35 4.2,36 6.136,37 4.147,38 4.919,39 5.096,40 4.241,41 4.212,42 6.111,43 4.148,44 4.917,45 5.104,46 4.293,47 4.215,48 6.167,49 4.125,50 4.895,51 5.1,52 4.215,53 4.162,54 6.017,55 4.047,56 0.092,57 0.786,58 8.271,59 4.851,60 9.665,61 5.52,62 0.337,63 1.273,64 19.145,65 8.241,66 27.132,67 9.81,68 0.424,69 1.451,70 26.991,71 10.25,72 43.382,73 11.223,74 0.459,75 1.585,76 29.362,77 11.036,78 46.46,79 11.892,80 0.599,81 1.607,82 28.649,83 11.326,84 67.183,85 13.129,86 0.629,87 1.575,88 27.828,89 11.075,90 78.227,91 12.512,92 0.783,93 1.58,94 29.526,95 11.975,96 92.86,97 14.426,98 0.499,99 1.547,100 35.223,101 12.84,102 63.73,103 14.625,104 27,105 54,106 0.289,107 0.656,108 0.801,109 0.848,110 0.848,111 0.848,112 3.532,113 0.953,114 -5.04,115 -4.94,116 -4.63,120 44.4,121 1,122 3,123 1,125 1,143 7,144 3,145 2,153 2,159 2,162 1,163 1,167 1,174 11,176 1,177 12,180 2,182 2,185 12,189 13,192 1,194 1,197 12,200 1,201 14,206 2,209 10,213 3,214 8,217 1,219 4,222 14,227 7,232 1,235 16,239 4,240 9,243 2,245 2,247 11,251 1,252 7,257 2,260 8,263 2,264 10,269 2,271 9,274 2085,275 22.334,276 22.334,277 22.334,278 22.334,279 22.334,280 19.602,281 26.194,282 12.774,283 23.02,284 18.171,285 18.171,286 18.171,287 18.171,288 18.171,289 13.855,290 30.357,291 6.001,292 19.265,293 3.982,294 1.73,295 0.836,296 0.546,297 0.546,298 0.546,299 4.227,303 1,307 1,308 882,309 3.808,310 61.093,312 169.089,313 195.706,316 141.943,320 1.802,321 37.354,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 71.333,333 399,334 4.805,335 3.775,336 7.137,337 4.363,338 3.394,339 4.762,340 1.987,341 12.411,342 3.291,343 4.246,344 3.622,345 6.276,346 3.919,347 2.987,348 3.804,349 0.98,350 9.392,351 2.809,352 4.186,353 3.205,354 6.235,355 3.803,356 2.805,357 3.779,358 0.86,359 9.271,360 2.795,361 3.852,362 3.164,363 5.685,364 3.515,365 2.556,366 3.348,367 0.324,368 7.54,369 2.457,370 3.79,371 2.906,372 5.563,373 3.393,374 2.457,375 3.122,377 7.222,378 2.294,379 3.649,380 2.774,381 5.434,382 3.24,383 2.32,384 2.902,386 6.968,387 2.099,388 3.463,389 2.463,390 5.171,391 3.058,392 2.117,393 2.735,395 6.112,396 1.936,397 3.296,398 2.189,399 4.988,400 2.873,401 1.9,402 2.504,404 5.725,405 1.829,406 3.214,407 2.053,408 4.824,409 2.77,410 1.82,411 2.473,413 5.376,414 1.687,415 2.732,416 1.923,417 4.34,418 2.346,419 1.429,420 1.778,422 4.047,423 1.292,424 2.681,425 1.599,426 4.13,427 2.17,428 1.169,429 1.682,431 3.105,432 1.143,433 2.5,434 1.16,435 3.652,436 2,437 1,438 1.5,440 2.275,441 1,442 2.255,443 1.118,444 3.414,445 1.786,446 0.788,447 1.089,449 2.03,450 0.772,451 2.186,452 1,453 3.281,454 1.61,455 0.707,456 1.033,458 1.706,459 0.622,460 1.677,461 0.779,462 3.134,463 1.401,464 0.517,465 0.578,467 0.896,468 0.451,469 16.148,470 0.489,471 0.904,472 0.027,473 43.5,474 1.318,475 22,476 0.667,477 21.5,478 0.652,479 30.476,480 0.924,481 34.252,482 0.634,483 34.108,484 1.034,485 8.287,486 0.251,487 7.652,488 0.232,489 0.147,491 0.396,496 0.656,497 1.112,498 0.607,499 0.869,500 0.523,501 0.83,502 0.703,503 1.145,504 0.664,505 0.926,506 0.562,507 0.855,508 1.15,509 0.999,510 1.005,511 0.932,512 1.062,513 0.881,514 1.132,515 1.197,516 1.112,517 1.218,518 1.178,519 1.124,520 1.062,521 0.981,522 0.759,523 0.916,524 1.399,525 0.953,526 1.216,527 0.97,528 0.79,529 0.896,530 1.416,531 1.013,532 0.733,533 0.975,534 0.725,535 0.903,536 0.798,537 0.976,538 1.061,539 1.084,540 1.035,541 1.066,542 1.121,543 1.007,544 7,545 0.253,546 3.611,547 3.34,548 2.206,549 1.616,550 0.94,551 0.657,552 0.453,553 0.267,554 15638,555 47112,556 2.112,557 38.9,558 4,559 10,562 1,563 6,567 1.757,568 1.96,569 3.535,570 -0.322,575 95.731,576 1.773,577 4.025,578 4.919,579 5.208,580 5.208,581 5.208,582 3.046,583 4.802,584 5.01,585 3.713,586 1960.43,587 8.807,588 28799.6,593 310.764,594 1.459,595 4.969,596 0.189,597 0.007,598 0.071,599 0.062,600 0.042,601 0.031,602 0.019,603 0.013,604 0.011,605 0.007,606 0.452,607 0.17,608 0.75,609 0.718,610 173.748,611 -0.003,612 -0.024,613 0.041,614 0.014,615 -0.013,616 0.021,617 0.115,618 -0.101,619 0.139,620 0.019,621 0.066,622 0.06,623 -0.163,624 0.043,625 -0.07,626 0.037,627 -0.082,628 0.041,629 -0.137,630 -0.142,631 -0.226,632 -0.252,633 -0.06,634 -0.216,635 -0.004,636 0.017,637 -0.027,638 -0.029,639 -0.066,640 -0.024,641 -0.122,642 0.008,643 -0.053,644 -0.027,645 -0.137,646 -0.09,647 0.279,648 -0.015,649 0.105,650 0.044,651 0.236,652 -0.002,653 -0.074,654 -0.114,655 0.024,656 -0.01,657 -0.044,658 0.014,659 1.877,660 6.381,661 0.697,662 36.683,663 1.014,664 1.115,665 3.809,666 14.511,667 0.717,668 3.638,669 4.007,670 4.29,671 4.595,672 4.82,673 4.963,674 5.118,675 5.209,676 5.252,677 5.347,678 7.1,679 0.685,680 481.01,681 3.638,682 5.209,683 6.089,684 6.995,685 7.894,686 8.807,687 9.715,688 10.632,689 11.547,690 12.467,691 7.4,698 1,699 1,701 2,708 2,709 7,710 2,713 1,714 7,715 1,716 21,735 1,737 1,738 54,739 23,740 2,741 37,743 58,744 24,745 16,746 5,747 7,748 1,752 5,753 6,754 1,759 1,763 2,764 1,766 3,768 18,769 6,770 1,772 2,778 2,782 2,789 21,790 6,791 1,792 9,793 2,797 4,803 0.8,804 3,818 1,820 1,822 2,823 2,826 1,838 1,855 4,857 1,859 2,860 1,862 33,869 3,871 1,872 1,874 1,885 1,886 5.6,889 2,891 1,893 16.833,894 10.576,895 7.139,896 3.242,898 3.576,899 1.446,900 1.012,901 6.041,902 11.59,903 3.922,904 4.575,905 5.193,906 5.84,907 6.353,908 6.724,909 7.146,910 7.502,911 7.727,912 8.073,913 1,914 54,915 12.248,917 5.381,918 7.806,919 23.216,921 19.601,924 2.306,925 76.111,929 235.422,930 158.352,931 53.236,932 39.149,933 61.29,935 31.278,936 127.074,937 335.86,938 53.236,939 19.708,940 25.614,941 66.334,942 93.955,943 31.088,944 4.901,945 266.7,946 39.149,947 235.422,948 180.31,949 61.29,950 70.426,952 235.422,953 61.29,956 37.769,957 109.215,958 72.475,959 31.278,960 235.422,961 114.526,962 197.501,965 235.422,966 72.31,967 87.941,968 18.011,969 133.764,970 235.422,971 114.526,972 197.501,973 0.592,974 0.342,975 0.187,976 0.104,977 28,978 13,979 0.103,980 6,981 1,982 1.087,983 4.377,984 319.793,985 0.087,986 23,987 160.465,989 1,993 22.207,994 8.977,995 4.584,996 1.503,997 112.627,998 12.252,999 8.272,1002 1.421,1003 4.643,1004 1.636,1005 18.011,1006 547.448,1007 49.5,1013 26.282,1017 -0.401,1020 54.742,1021 60.222,1022 0.308,1023 0.699,1024 0.855,1025 0.905,1026 0.905,1027 0.905,1028 5.183,1029 1.9,1030 6.098,1031 6.112,1032 4.691,1033 5.263,1034 2.431,1035 6.959,1036 4.592,1037 6.426,1038 1.82,1039 7.692,1040 5.725,1041 4.443,1042 5.223,1043 1.593,1044 7.982,1045 4.298,1046 7.762,1047 1.429,1048 9.384,1049 5.376,1050 6.351,1051 7.531,1052 3.224,1053 11.096,1054 6.176,1055 9.132,1056 1.169,1057 11.133,1058 4.047,1059 6.878,1060 8.305,1061 3.168,1062 12.951,1063 6.666,1064 10.533,1065 1,1066 12.919,1067 3.105,1068 8.305,1069 10.124,1070 4.346,1071 15.635,1072 8.069,1073 11.958,1074 0.788,1075 14.733,1076 2.275,1077 9.185,1078 11.294,1079 4.654,1080 17.863,1081 8.916,1082 13.401,1083 0.707,1084 16.568,1085 2.03,1086 10.441,1087 12.929,1088 5.609,1089 20.416,1090 10.149,1091 3.394,1092 0.517,1093 18.421,1094 1.706,1095 11.486,1096 14.298,1097 6.091,1098 22.808,1099 11.164,1100 2.987,1101 12.411,1102 20.289,1103 0.896,1104 12.686,1105 15.867,1106 6.929,1107 25.325,1108 12.339,1109 2.805,1110 9.392,1111 22.17,1112 4.762,1113 13.811,1114 17.333,1115 7.5,1116 27.787,1117 13.434,1118 2.556,1119 9.271,1120 24.062,1121 3.804,1122 14.999,1123 18.883,1124 8.274,1125 30.297,1126 14.595,1127 2.457,1128 7.54,1129 25.964,1130 3.779,1131 16.162,1132 20.395,1133 8.894,1134 32.789,1135 15.729,1136 2.32,1137 7.222,1138 27.875,1139 3.348,1140 17.352,1141 21.943,1142 9.631,1143 35.3,1144 16.891,1145 2.117,1146 6.968,1147 29.793,1148 3.122,1149 18.536,1150 23.478,1151 10.279,1152 37.806,1153 18.046,1154 14536,1155 25402,1156 24.679,1157 38.744,1158 56.927,1159 58.931,1160 58.964,1161 56.143,1162 56.036,1163 74.297,1164 8.301,1165 168.384,1166 53.045,1167 5.691,1168 5.775,1169 6.684,1170 5.503,1171 5.394,1172 7.762,1173 3.497,1174 20.085,1175 5.291,1176 16.778,1177 1.539,1178 1.593,1179 1.594,1180 1.517,1181 1.514,1182 2.008,1183 0.224,1184 4.551,1185 1.434,1186 4.174,1187 4.2,1188 4.249,1189 4.086,1190 7.431,1191 4.096,1192 3.962,1193 4.001,1194 4.144,1195 3.903,1196 7.426,1197 3.86,1198 3.888,1199 3.907,1200 3.975,1201 3.841,1202 5.015,1203 3.833,1204 3.656,1205 3.7,1206 3.624,1207 3.517,1208 4.952,1209 3.501,1210 3.547,1211 3.583,1212 3.533,1213 3.423,1214 4.911,1215 3.407,1216 3.381,1217 3.416,1218 3.451,1219 3.199,1220 4.565,1221 3.21,1222 3.19,1223 3.27,1224 3.275,1225 2.982,1226 4.271,1227 2.988,1228 3.151,1229 3.178,1230 2.98,1231 2.931,1232 4.198,1233 2.931,1234 0.13,1235 0.102,1236 0.193,1237 0.118,1238 0.092,1239 4.805,1240 0.129,1241 3.775,1242 0.054,1243 7.137,1244 0.335,1245 4.363,1246 0.089,1247 3.394,1248 4.762,1249 1.987,1250 12.411,1251 3.291,1252 1.952,1253 1.934,1254 2.023,1255 2.052,1256 1.202,1257 2.042,1258 1.89,1259 1.873,1260 1.976,1261 1.97,1262 1.103,1263 1.975,1264 1.689,1265 1.652,1266 1.83,1267 1.846,1268 0.991,1269 1.843,1270 1.45,1271 1.436,1272 1.601,1273 1.669,1274 0.912,1275 1.647,1276 1.363,1277 1.321,1278 1.552,1279 1.53,1280 0.825,1281 1.536,1282 1.225,1283 1.17,1284 1.513,1285 1.511,1286 0.694,1287 1.527,1288 1.153,1289 1.064,1290 1.492,1291 1.376,1292 0.575,1293 1.429,1294 1.091,1295 1.038,1296 1.256,1297 1.311,1298 0.351,1299 1.323,1300 4.317,1301 1.946,1302 5.673,1303 4.111,1304 7.215,1305 6.168,1306 8.839,1307 8.155,1308 10.513,1310 3.433,1311 5.987,1315 2.351,1317 2.856,1318 5.39,1320 0.486,1326 36.986,1327 95.731,1328 217.355,1329 265.603,1330 281.254,1331 281.254,1332 281.254,1333 63.621,1334 8.014,1335 86.11,1336 114.35,1337 25,1338 12.977,1339 4.585,1340 3.755,1341 47.621,1342 135,1343 153,1344 0.166,1345 230.448,1346 393.41,1347 554.053,1348 33898,1349 1.9,1350 23.112,1351 0.7,1352 0.596,1353 23.966,1354 19.665,1355 15.94,1356 0.431,1357 0.318,1358 10.522,1359 14.633,1360 10.134,1361 8.352,1362 16.637,1363 11.752,1364 14.748,1365 0.273,1366 0.176,1367 15.825,1368 9.485,1369 12.371,1370 0.172,1371 0.094,1372 13.432,1373 6.752,1374 10.467,1375 0.107,1376 0.05,1377 11.488,1378 4.871,1379 8.292,1380 0.067,1381 0.026,1382 9.039,1383 3.188,1384 0.258,1385 106.984,1386 0.201,1387 30.535,1388 0.464,1389 182,1390 555.539,1391 240.75,1392 584.881,1393 792.03,1394 546,1395 220,1396 550.365,1397 268.109,1398 580.895,1399 854.6,1400 546,1401 4.665}
{0 CHEMBL1446678,1 1.818,2 11.296,3 2.442,4 5.962,5 96.437,6 9.126,7 0.429,8 3.873,9 3.943,10 3.732,11 3.434,12 5.153,13 3.416,14 4.377,15 4.479,16 3.991,17 3.764,18 5.97,19 3.755,20 4.59,21 4.711,22 4.07,23 3.867,24 6.035,25 3.858,26 4.681,27 4.824,28 4.083,29 3.812,30 6.117,31 3.82,32 4.673,33 4.829,34 3.986,35 3.661,36 6.476,37 3.696,38 4.488,39 4.653,40 3.748,41 3.433,42 6.109,43 3.448,44 4.232,45 4.387,46 3.601,47 3.261,48 5.909,49 3.305,50 4.096,51 4.216,52 3.475,53 3.285,54 5.573,55 3.295,56 0.25,57 0.616,58 7.986,59 4.425,60 34.788,61 4.179,62 0.677,63 0.918,64 16.342,65 7.187,66 112.079,67 7.312,68 0.811,69 1.106,70 18.375,71 7.864,72 122.159,73 7.871,74 0.937,75 1.141,76 24.253,77 8.492,78 138.739,79 8.361,80 1.316,81 1.011,82 22.698,83 7.771,84 239.996,85 8.538,86 1.157,87 0.807,88 22.329,89 6.781,90 208.952,91 7.136,92 0.903,93 0.659,94 15.381,95 4.848,96 131.965,97 5.136,98 0.634,99 0.616,100 14.022,101 4.829,102 102.804,103 4.187,104 69,105 40,106 0.313,107 0.649,108 0.786,109 0.864,110 0.872,111 0.872,112 3.339,113 1.017,114 -3.94,115 -3.89,116 -3.69,120 39.5,121 1,125 1,126 1,143 7,144 2,145 3,159 2,167 2,174 8,176 3,177 3,180 1,182 2,185 7,188 1,189 10,192 1,194 3,197 5,200 2,201 13,206 1,209 1,213 7,214 10,217 1,219 1,226 4,227 6,232 2,239 4,240 4,245 1,247 2,251 1,252 3,255 1,260 7,263 2,264 1,267 2,271 9,274 1125,275 17.024,276 17.024,277 17.024,278 17.024,279 17.024,280 14.644,281 16.839,282 9.85,283 17.432,284 13.768,285 13.768,286 13.768,287 13.768,288 13.768,289 10.077,290 16.657,291 4.639,292 14.416,293 3.608,294 1.658,295 0.864,296 0.407,297 0.361,298 0.361,299 3.994,306 1,307 1,308 620,309 4.528,313 212.563,320 1.767,321 57.258,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 62,333 305,334 4.866,335 5.192,336 7.279,337 4.289,338 3.402,339 4.737,340 2.95,341 12.388,342 3.036,343 4.253,344 3.785,345 6.137,346 3.819,347 2.843,348 3.915,349 2.612,350 8.91,351 2.776,352 4.185,353 3.703,354 6.052,355 3.777,356 2.804,357 3.787,358 2.061,359 8.691,360 2.678,361 3.969,362 3.553,363 5.848,364 3.459,365 2.502,366 3.424,367 1.622,368 7.82,369 2.361,370 3.587,371 2.893,372 5.006,373 3.24,374 2.231,375 2.794,376 0.313,377 5.948,378 2.235,379 3.265,380 2.697,381 4.526,382 2.638,383 1.662,384 2.519,386 4.289,387 1.61,388 2.879,389 2.04,390 4.208,391 2.414,392 1.426,393 2.045,395 3.757,396 1.414,397 2.82,398 1.722,399 4.062,400 2.408,401 1.414,402 1.934,404 3.403,405 1.397,406 2.734,407 1.662,408 3.608,409 2.204,410 1.232,411 1.741,413 2.958,414 1.179,415 2.598,416 1.472,417 3.595,418 2,419 1,420 1.59,422 2.42,423 1,424 1.728,425 1.433,426 3.067,427 1.389,428 0.441,429 0.523,431 1.019,432 0.409,433 1.392,434 1,435 2.826,436 1.037,437 0.042,438 0.053,440 0.092,441 0.041,442 1.063,443 0.891,444 2.523,445 0.572,446 -0.399,447 -0.537,449 -1.059,450 -0.374,451 1,452 0.621,453 2.26,454 0.407,455 -0.598,456 -0.763,458 -1.397,459 -0.596,460 1,461 0.315,462 2,463 0.173,464 -0.823,465 -1.161,467 -2,468 -0.782,469 12.467,470 0.462,471 0.995,472 0.037,473 38.25,474 1.417,475 21.5,476 0.796,477 16.75,478 0.62,479 18.483,480 0.685,481 30.133,482 0.701,483 32.847,484 1.217,485 7.724,486 0.286,487 4.867,488 0.18,489 0.241,490 0.067,491 0.313,496 0.482,497 1.168,498 0.77,499 1.192,500 0.594,501 0.936,502 0.606,503 1.122,504 0.941,505 1.121,506 0.504,507 0.933,508 0.983,509 1.181,510 0.977,511 1.073,512 0.972,513 1.079,514 1.14,515 1.191,516 1.059,517 1.179,518 1.088,519 1.091,520 0.972,521 0.898,522 0.747,523 0.844,524 0.953,525 0.946,526 1.155,527 0.91,528 0.853,529 0.872,530 1.193,531 0.925,532 1.076,533 0.792,534 0.735,535 0.647,536 0.775,537 0.723,538 1.489,539 0.799,540 1.277,541 0.899,542 1.432,543 0.89,544 7.5,545 0.14,546 4,547 2.313,548 1.996,549 1.083,550 0.528,551 0.352,552 0.304,553 0.196,554 8380,555 33672,556 1.884,557 37.2,558 3,559 12,562 1,567 1.698,568 1.696,569 3.441,570 -0.199,571 1,572 1,575 78.191,576 1.818,577 3.768,578 4.562,579 5.019,580 5.066,581 5.066,582 2.865,583 4.357,584 4.73,585 3.655,586 1283.05,587 8.192,588 17105.6,590 1,592 1,593 233.329,594 1.747,595 4.628,596 0.268,597 0.007,598 0.1,599 0.056,600 0.051,601 0.03,602 0.02,603 0.014,604 0.013,605 0.009,606 0.568,607 0.33,608 0.88,609 0.974,610 135.638,611 0.122,612 0.046,613 0.172,614 0.001,615 -0.072,616 0.018,617 0.19,618 -0.046,619 0.009,620 -0.023,621 0.213,622 0.043,623 -0.111,624 -0.133,625 -0.112,626 -0.1,627 -0.121,628 -0.144,629 -0.162,630 -0.177,631 -0.084,632 -0.205,633 -0.161,634 -0.145,635 0.17,636 0.005,637 0.1,638 -0.031,639 0.211,640 -0.015,641 0.045,642 -0.059,643 0.12,644 0.013,645 -0.023,646 0.051,647 0.1,648 0.128,649 0.15,650 0.181,651 0.181,652 0.201,653 -0.351,654 0.199,655 -0.278,656 0.104,657 -0.302,658 0.025,659 4.76,660 5.03,661 0.444,662 25.63,663 1.041,664 1.123,665 2.706,666 7.321,667 0.678,668 3.367,669 3.714,670 3.871,671 4.043,672 4.22,673 4.127,674 4.143,675 3.951,676 3.97,677 3.912,678 6.918,679 0.673,680 392.42,681 3.367,682 4.92,683 5.74,684 6.619,685 7.463,686 8.341,687 9.195,688 10.071,689 10.931,690 11.807,691 4.7,698 1,702 1,709 7,714 5,716 12,726 1,731 1,738 43,739 18,740 2,741 28,743 44,744 17,745 12,746 5,747 7,748 1,752 2,753 2,759 1,768 14,769 3,772 6,775 1,776 1,778 6,782 2,786 1,789 16,790 8,791 1,792 10,793 1,797 2,803 1,804 7,823 2,838 1,855 2,857 1,859 2,862 27,865 1,869 1,871 1,872 1,886 16.3,889 4,891 1,892 2,893 15.917,894 8.367,895 5.861,896 2.221,898 2.329,899 1.347,900 0.935,901 6.314,902 9.039,903 3.714,904 4.344,905 4.754,906 5.248,907 5.773,908 5.856,909 6.118,910 5.825,911 6.025,912 5.819,913 1,914 41,915 10.314,917 4.776,918 8.54,919 17.789,921 14.102,924 3.04,925 82.083,928 1,929 176.567,930 118.319,931 23.681,933 156.35,935 6.046,936 112.273,937 332.916,938 23.681,939 21.686,940 22.603,941 72.38,942 106.499,943 24.435,945 176.567,946 50.747,947 176.567,948 135.954,949 156.35,950 6.046,952 176.567,953 105.603,954 50.747,956 31.428,957 98.855,958 11.716,960 176.567,961 180.03,962 118.319,964 6.046,965 176.567,966 29.924,967 88.019,968 18.011,969 156.35,970 176.567,971 180.03,972 118.319,973 0.596,974 0.328,975 0.162,976 0.093,977 17,978 10,979 0.159,980 7,982 1,983 3.715,984 213.637,986 12,987 120.382,992 1,993 20.557,994 8.293,995 5.36,997 174.36,998 9.863,1003 -0.105,1005 18.011,1006 474.916,1007 40,1010 -0.905,1011 -3.843,1013 69.218,1017 -1.571,1020 44.756,1021 48.289,1022 0.335,1023 0.694,1024 0.841,1025 0.925,1026 0.934,1027 0.934,1028 4.956,1029 1.414,1030 5.79,1031 3.757,1032 4.394,1033 5.03,1034 3.748,1035 6.635,1036 4.304,1037 6.224,1038 1.232,1039 7.392,1040 3.403,1041 4.29,1042 5.239,1043 2.675,1044 7.842,1045 4.093,1046 7.588,1047 1,1048 9.107,1049 2.958,1050 6.08,1051 7.352,1052 5.541,1053 10.84,1054 5.854,1055 8.99,1056 0.441,1057 10.889,1058 2.42,1059 6.723,1060 8.315,1061 4.738,1062 12.837,1063 6.36,1064 10.424,1065 0.042,1066 12.713,1067 1.019,1068 8.097,1069 10.024,1070 7.517,1071 15.47,1072 7.693,1073 11.88,1074 -0.399,1075 14.568,1076 0.092,1077 9.049,1078 11.298,1079 6.707,1080 17.774,1081 8.501,1082 13.355,1083 -0.598,1084 16.446,1085 -1.059,1086 10.288,1087 12.88,1088 9.575,1089 20.31,1090 9.674,1091 3.402,1092 -0.823,1093 18.341,1094 -1.397,1095 11.375,1096 14.292,1097 8.645,1098 22.738,1099 10.62,1100 2.843,1101 12.388,1102 20.25,1103 -2,1104 12.575,1105 15.836,1106 11.675,1107 25.251,1108 11.731,1109 2.804,1110 8.91,1111 22.172,1112 4.737,1113 13.724,1114 17.313,1115 10.571,1116 27.73,1117 12.743,1118 2.502,1119 8.691,1120 24.103,1121 3.915,1122 14.918,1123 18.849,1124 13.797,1125 30.241,1126 13.831,1127 2.231,1128 7.82,1129 26.043,1130 3.787,1131 16.097,1132 20.359,1133 12.492,1134 32.741,1135 14.877,1136 1.662,1137 5.948,1138 27.99,1139 3.424,1140 17.295,1141 21.896,1142 15.931,1143 35.254,1144 15.959,1145 1.426,1146 4.289,1147 29.942,1148 2.794,1149 18.491,1150 23.425,1151 14.412,1152 37.763,1153 17.023,1154 8533,1155 17350,1156 17.107,1157 29.17,1158 42.336,1159 46.463,1160 43.92,1161 42.119,1162 42.001,1163 58.125,1164 19.117,1165 123.39,1166 40.273,1167 5.785,1168 7.192,1169 6.967,1170 5.359,1171 5.402,1172 7.737,1173 5.9,1174 20.045,1175 5.036,1176 18.901,1177 1.512,1178 1.659,1179 1.569,1180 1.504,1181 1.5,1182 2.076,1183 0.683,1184 4.407,1185 1.438,1186 4.12,1187 4.102,1188 4.738,1189 4.104,1190 7.816,1191 4.019,1192 3.934,1193 3.966,1194 3.897,1195 3.861,1196 7.715,1197 3.857,1198 3.749,1199 3.716,1200 3.856,1201 3.649,1202 7.436,1203 3.586,1204 3.6,1205 3.61,1206 3.569,1207 3.304,1208 7.425,1209 3.345,1210 3.467,1211 3.49,1212 3.416,1213 3.073,1214 6.999,1215 3.172,1216 3.171,1217 3.257,1218 3.061,1219 3.023,1220 6.999,1221 2.999,1222 3.105,1223 3.122,1224 2.962,1225 2.845,1226 4.76,1227 2.878,1228 2.862,1229 2.927,1230 2.725,1231 2.715,1232 4.616,1233 2.707,1234 0.174,1235 0.185,1236 0.26,1237 0.153,1238 0.122,1239 4.866,1240 0.169,1241 5.192,1242 0.105,1243 7.279,1244 0.442,1245 4.289,1246 0.108,1247 3.402,1248 4.737,1249 2.95,1250 12.388,1251 3.036,1252 1.997,1253 2.011,1254 2.037,1255 2.112,1256 1.234,1257 2.109,1258 1.916,1259 1.886,1260 1.989,1261 2.016,1262 1.138,1263 2.023,1264 1.587,1265 1.613,1266 1.627,1267 1.76,1268 0.846,1269 1.784,1270 1.429,1271 1.403,1272 1.579,1273 1.747,1274 0.739,1275 1.687,1276 1.216,1277 1.195,1278 1.552,1279 1.61,1280 0.603,1281 1.548,1282 1.207,1283 1.128,1284 1.283,1285 1.418,1286 0.23,1287 1.469,1288 0.977,1289 0.945,1290 1.183,1291 1.274,1292 0.214,1293 1.234,1294 0.86,1295 0.799,1296 1.106,1297 1.071,1298 0.205,1299 1.096,1300 4.043,1302 5.38,1304 6.895,1306 8.491,1308 10.134,1310 2.618,1315 -0.602,1317 2.572,1318 4.839,1326 28.921,1327 78.191,1328 162.026,1329 196.168,1330 215.82,1331 217.82,1332 217.82,1333 102.619,1334 6.711,1335 135.36,1336 143.74,1337 12,1338 12.349,1339 4.248,1340 3.7,1341 58.684,1342 113,1343 100,1344 0.253,1345 185.4,1346 334.42,1347 444.136,1348 6730,1350 20.19,1351 0.748,1352 0.566,1353 20.44,1354 15.278,1355 12.591,1356 0.45,1357 0.339,1358 7.622,1359 11.15,1360 7.221,1361 6.027,1362 13.486,1363 9.496,1364 12.371,1365 0.309,1366 0.191,1367 13.739,1368 7.635,1369 8.823,1370 0.188,1371 0.1,1372 9.558,1373 4.688,1374 6.729,1375 0.12,1376 0.054,1377 7.439,1378 3.043,1379 5.496,1380 0.082,1381 0.028,1382 6.109,1383 1.884,1384 0.405,1385 89.861,1386 0.242,1387 26.201,1388 0.675,1389 136,1390 580.987,1391 189.272,1392 563.398,1393 719.21,1394 510,1395 155,1396 476.07,1397 214.238,1398 504.957,1399 719.36,1400 466,1401 5.212}
{0 CHEMBL1446802,1 1.824,2 8.542,3 0.046,4 0.002,5 85.443,6 8.693,7 0.577,8 3.794,9 3.905,10 3.483,11 3.214,12 5.098,13 3.256,14 4.289,15 4.464,16 3.864,17 3.569,18 5.559,19 3.631,20 4.355,21 4.487,22 3.919,23 3.665,24 5.801,25 3.722,26 4.568,27 4.703,28 3.957,29 3.713,30 6.166,31 3.731,32 4.55,33 4.774,34 3.862,35 3.539,36 6.021,37 3.585,38 4.357,39 4.486,40 3.872,41 3.406,42 5.893,43 3.527,44 4.31,45 4.46,46 3.611,47 3.312,48 5.846,49 3.382,50 4.165,51 4.33,52 3.19,53 3.178,54 5.515,55 3.178,56 0.262,57 0.616,58 5.826,59 2.875,60 8.974,61 3.493,62 0.506,63 0.916,64 13.356,65 4.084,66 41.918,67 5.567,68 0.511,69 0.964,70 11.799,71 4.466,72 39.872,73 5.193,74 0.893,75 1.011,76 15.954,77 6.139,78 90.497,79 7.612,80 0.929,81 0.887,82 22.934,83 5.952,84 135.695,85 8.439,86 0.816,87 0.802,88 13.742,89 3.584,90 68.512,91 3.816,92 0.844,93 0.695,94 14.51,95 3.551,96 71.233,97 3.876,98 0.711,99 0.598,100 13.471,101 3.56,102 84.422,103 3.791,104 50,105 39,106 0.322,107 0.634,108 0.7,109 0.718,110 0.737,111 0.774,112 3.23,113 0.806,114 -2.07,115 -2.12,116 -2.1,120 36.8,121 2,125 2,144 2,146 2,147 2,153 2,158 2,167 5,176 2,177 8,185 2,188 3,189 4,200 9,201 7,213 6,214 5,222 1,226 10,227 5,239 6,240 7,247 2,263 4,264 4,271 1,274 784,275 15.535,276 15.535,277 15.535,278 15.535,279 15.535,280 13.258,281 11.508,282 8.575,283 15.74,284 12.661,285 12.661,286 12.661,287 12.661,288 12.661,289 9.203,290 8.732,291 3.942,292 12.959,293 3.424,294 1.658,295 1.29,296 1.185,297 1.079,298 0.869,299 3.893,306 1,307 1,308 431,309 3.24,312 201.519,320 1.292,321 39.116,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 55,333 205,334 4.691,335 3.778,336 7.002,337 4.303,338 3.31,339 4.5,341 11.824,342 3.287,343 4.446,344 3.551,345 6.63,346 4.062,347 3.077,348 4.124,350 10.39,351 3.037,352 4.294,353 3.168,354 6.364,355 3.827,356 2.866,357 4.026,359 9.455,360 2.752,361 3.703,362 2.905,363 5.724,364 3.302,365 2.308,366 3.07,368 7.247,369 2.278,370 3.511,371 2.865,372 5.313,373 3.045,374 2.052,375 2.807,377 6.084,378 2.028,379 3.023,380 1.982,381 4.871,382 2.547,383 1.577,384 2.199,386 4.804,387 1.527,388 2.712,389 1.66,390 4.403,391 2.293,392 1.3,393 1.763,395 3.655,396 1.286,397 2.567,398 1.656,399 3.932,400 2.122,401 1.163,402 1.592,404 2.845,405 1.113,406 2.564,407 1.325,408 3.843,409 2.1,410 1.146,411 1.589,413 2.795,414 1.091,415 2.426,416 1.325,417 3.605,418 1.834,419 0.824,420 1.25,422 2.005,423 0.823,424 2.178,425 1.034,426 3.467,427 1.609,428 0.571,429 0.862,431 1.445,432 0.586,433 1.17,434 0.469,435 2.505,436 0.728,437 -0.232,438 -0.269,440 -0.514,441 -0.222,442 0.969,443 0.188,444 2.238,445 0.692,446 -0.292,447 -0.358,449 -0.632,450 -0.286,451 0.969,452 0.16,453 2,454 0.468,455 -0.57,456 -0.912,458 -1.315,459 -0.583,460 0.337,461 -0.642,462 2,463 -0.133,464 -1.131,465 -1.362,467 -2.779,468 -1.097,469 10.733,470 0.447,471 0.848,472 0.035,473 32.25,474 1.344,475 16,476 0.667,477 16.25,478 0.677,479 17.834,480 0.743,481 26.467,482 0.696,483 26.516,484 1.105,485 6.688,486 0.279,487 4.637,488 0.193,489 0.28,491 0.484,496 0.444,497 1.301,498 0.6,499 1.15,500 0.511,501 0.979,502 0.754,503 1.153,504 0.505,505 0.754,506 0.564,507 0.554,508 0.982,509 1.12,510 0.875,511 1.048,512 0.929,513 0.918,514 0.743,515 1.331,516 1.051,517 1.506,518 1.025,519 1.416,520 0.904,521 0.829,522 0.554,523 0.743,524 0.969,525 0.583,526 1.516,527 1.005,528 1.083,529 0.959,530 1.58,531 0.908,532 1.696,533 0.877,534 1.391,535 0.897,536 1.592,537 1.027,538 2.003,539 1.013,540 1.684,541 0.968,542 1.962,543 1.212,544 5,545 0.057,546 4.444,547 2.889,548 1.575,549 0.882,550 0.779,551 0.454,552 0.186,553 0.149,554 5397,555 18757,556 1.968,557 36.8,559 6,561 2,563 6,567 1.676,568 1.756,569 3.071,570 -0.576,572 1,575 69.306,576 1.824,577 3.59,578 3.958,579 4.063,580 4.168,581 4.379,582 2.471,583 4.502,584 4.56,585 3.199,586 883.028,587 7.901,588 10018.8,590 1,593 199.421,594 1.534,595 4.464,596 0.192,597 0.009,598 0.114,599 0.072,600 0.043,601 0.025,602 0.022,603 0.017,604 0.011,605 0.011,606 0.517,607 0.33,608 1,609 0.71,610 111.419,611 0.238,612 -0.028,613 0.088,614 -0.072,615 -0.013,616 -0.069,617 0.014,618 -0.043,619 0.36,620 0.249,621 0.063,622 0.407,623 -0.125,624 0.068,625 -0.102,626 -0.029,627 -0.023,628 -0.029,629 0.282,630 -0.29,631 -0.178,632 -0.473,633 0.148,634 -0.479,635 0.159,636 0.002,637 0.557,638 0.235,639 0.211,640 0.472,641 -0.148,642 0.046,643 -0.167,644 -0.095,645 -0.232,646 -0.143,647 -0.306,648 0.088,649 -0.413,650 -0.011,651 -0.186,652 -0.206,653 -0.668,654 -0.12,655 -0.676,656 -0.012,657 -0.498,658 -0.303,659 2.346,660 5.662,661 0.625,662 16.222,663 1.038,664 1.144,665 0.84,666 0.706,667 0.655,668 3.296,669 3.689,670 4.025,671 4.263,672 4.304,673 4.382,674 4.443,675 4.5,676 4.477,677 4.382,678 5.188,679 0.66,680 330.34,681 3.296,682 4.875,683 5.765,684 6.673,685 7.577,686 8.488,687 9.396,688 10.308,689 11.218,690 12.131,691 15.8,699 2,701 3,702 1,709 2,710 3,712 1,714 6,715 2,716 15,721 2,738 38,739 18,741 26,743 40,744 14,745 8,748 2,752 3,753 3,759 2,768 10,769 4,772 3,778 3,782 2,785 1,786 1,789 14,790 7,792 10,797 6,803 1,804 4,814 2,822 3,855 3,859 4,862 24,886 10.5,889 2,891 1,892 1,893 13.667,894 8.533,895 5.194,896 2.101,898 2.703,899 1.393,900 0.949,901 3.913,902 9.578,903 3.624,904 4.314,905 4.964,906 5.531,907 5.763,908 6.048,909 6.336,910 6.684,911 6.939,912 7.087,913 0.833,914 40,915 8.895,917 3.92,918 8.201,919 15.961,921 12.654,924 2.701,925 64.833,929 164.795,930 80.203,931 62.459,933 85.624,936 80.203,937 250.42,938 62.459,939 40.426,942 137.022,943 43.494,944 5.513,945 141.253,946 25.373,947 164.795,948 142.662,949 85.624,952 164.795,953 60.251,954 25.373,956 44.812,957 38.944,958 58.906,960 164.795,961 148.083,962 80.203,965 164.795,966 27.665,967 62.074,969 138.547,970 164.795,971 148.083,972 80.203,973 0.608,974 0.385,975 0.196,976 0.088,977 20,978 11,979 0.1,980 4,982 1,983 3.369,984 203.368,986 15,987 110.039,993 16.242,994 5.782,995 2.515,997 138.547,998 2.68,999 11.402,1001 4.489,1003 0.743,1004 2.994,1006 393.082,1007 36.5,1013 37.167,1017 -1.286,1020 39.454,1021 43.488,1022 0.348,1023 0.684,1024 0.754,1025 0.774,1026 0.794,1027 0.834,1028 4.888,1029 1.163,1030 5.808,1031 3.655,1032 4.369,1033 5.001,1035 6.711,1036 4.331,1037 6.16,1038 1.146,1039 7.445,1040 2.845,1041 4.205,1042 5.075,1044 7.803,1045 4.161,1046 7.519,1047 0.824,1048 9.18,1049 2.795,1050 6.066,1051 7.326,1053 10.948,1054 5.995,1055 8.917,1056 0.571,1057 10.969,1058 2.005,1059 6.711,1060 8.227,1062 12.836,1063 6.637,1064 10.347,1065 -0.232,1066 12.791,1067 1.445,1068 8.093,1069 9.966,1071 15.519,1072 7.998,1073 11.798,1074 -0.292,1075 14.636,1076 -0.514,1077 9.053,1078 11.201,1080 17.718,1081 8.954,1082 13.265,1083 -0.57,1084 16.497,1085 -0.632,1086 10.282,1087 12.762,1089 20.246,1090 10.168,1091 3.31,1092 -1.131,1093 18.37,1094 -1.315,1095 11.364,1096 14.135,1098 22.578,1099 11.245,1100 3.077,1101 11.824,1102 20.252,1103 -2.779,1104 12.545,1105 15.634,1107 25.052,1108 12.416,1109 2.866,1110 10.39,1111 22.142,1112 4.5,1113 13.676,1114 17.064,1116 27.445,1117 13.542,1118 2.308,1119 9.455,1120 24.038,1121 4.124,1122 14.845,1123 18.543,1125 29.9,1126 14.702,1127 2.052,1128 7.247,1129 25.939,1130 4.026,1131 15.997,1132 19.998,1134 32.323,1135 15.85,1136 1.577,1137 6.084,1138 27.844,1139 3.07,1140 17.165,1141 21.473,1143 34.775,1144 17.011,1145 1.3,1146 4.804,1147 29.752,1148 2.807,1149 18.329,1150 22.94,1152 37.215,1153 18.169,1154 5403,1155 10263,1156 16.244,1157 24.898,1158 41.347,1159 43.164,1160 44.307,1161 40.431,1162 40.389,1163 55.565,1165 125.099,1166 39.617,1167 5.518,1168 5.778,1169 6.274,1170 5.333,1171 5.31,1172 7.272,1174 19.61,1175 5.265,1176 15.717,1177 1.59,1178 1.66,1179 1.704,1180 1.555,1181 1.553,1182 2.137,1184 4.812,1185 1.524,1186 4.1,1187 4.129,1188 4.091,1189 3.893,1190 7.489,1191 3.931,1192 3.947,1193 4.004,1194 3.909,1195 3.771,1196 7.427,1197 3.797,1198 3.865,1199 3.916,1200 3.835,1201 3.557,1202 7.419,1203 3.62,1204 3.228,1205 3.275,1206 3.167,1207 2.971,1208 5.058,1209 2.996,1210 3.173,1211 3.241,1212 3.086,1213 2.887,1214 4.913,1215 2.904,1216 3.068,1217 3.171,1218 2.795,1219 2.839,1220 4.903,1221 2.811,1222 3.06,1223 3.154,1224 2.791,1225 2.825,1226 3.823,1227 2.806,1228 2.878,1229 2.939,1230 2.7,1231 2.57,1232 3.819,1233 2.611,1234 0.18,1235 0.145,1236 0.269,1237 0.166,1238 0.127,1239 4.691,1240 0.173,1241 3.778,1243 7.002,1244 0.455,1245 4.303,1246 0.126,1247 3.31,1248 4.5,1250 11.824,1251 3.287,1252 1.768,1253 1.754,1254 1.861,1255 1.962,1256 1.005,1257 1.906,1258 1.662,1259 1.625,1260 1.831,1261 1.868,1262 0.964,1263 1.853,1264 1.522,1265 1.452,1266 1.687,1267 1.839,1268 0.736,1269 1.788,1270 1.424,1271 1.351,1272 1.62,1273 1.728,1274 0.65,1275 1.668,1276 1.289,1277 1.23,1278 1.53,1279 1.62,1280 0.59,1281 1.582,1282 1.116,1283 1.066,1284 1.407,1285 1.444,1286 0.438,1287 1.444,1288 1.015,1289 0.916,1290 1.277,1291 1.302,1292 0.293,1293 1.337,1294 0.959,1295 0.868,1296 1.094,1297 1.23,1299 1.239,1300 3.97,1302 5.342,1303 3.434,1304 6.891,1305 5.82,1306 8.516,1307 7.895,1308 10.185,1310 6.706,1326 25.095,1327 69.306,1328 136.402,1329 150.402,1330 154.402,1331 158.402,1332 166.402,1333 59.551,1334 6.875,1335 121.27,1336 121.27,1337 15,1338 12.645,1339 4.248,1340 3.524,1341 38.991,1342 73,1343 71,1344 0.265,1345 156.215,1346 261.02,1347 372.924,1348 7630,1350 17.593,1351 0.733,1352 0.561,1353 17.593,1354 13.471,1355 11.324,1356 0.436,1357 0.269,1358 6.803,1359 10.492,1360 6.529,1361 5.476,1362 11.324,1363 6.989,1364 10.669,1365 0.274,1366 0.136,1367 10.669,1368 5.32,1369 9.796,1370 0.178,1371 0.073,1372 9.796,1373 4.003,1374 7.676,1375 0.11,1376 0.033,1377 7.676,1378 2.286,1379 5.006,1380 0.069,1381 0.016,1382 5.006,1383 1.196,1384 0.399,1385 73.927,1386 0.248,1387 22.77,1388 0.78,1389 130,1390 512.813,1391 151.537,1392 481.437,1393 647.37,1394 444,1395 159,1396 495.948,1397 183.923,1398 486.158,1399 705.03,1400 452,1401 5.229}
{0 CHEMBL1446947,1 1.576,2 10.269,3 2.678,4 7.172,5 93.707,6 7.467,7 0.393,8 3.976,9 4.079,10 3.532,11 3.441,12 5.099,13 3.447,14 4.522,15 4.675,16 3.878,17 3.799,18 5.636,19 3.789,20 4.772,21 4.968,22 3.89,23 3.888,24 5.909,25 3.841,26 4.779,27 5.009,28 3.837,29 3.851,30 5.883,31 3.802,32 4.727,33 4.93,34 3.831,35 3.829,36 6.001,37 3.788,38 4.746,39 4.95,40 3.805,41 3.842,42 5.967,43 3.791,44 4.72,45 4.925,46 3.788,47 3.847,48 5.889,49 3.788,50 4.686,51 4.878,52 3.644,53 3.824,54 5.762,55 3.742,56 0.088,57 0.661,58 9.916,59 4.481,60 9.381,61 5.57,62 0.361,63 1.026,64 19.403,65 7.263,66 34.696,67 9.405,68 0.797,69 1.222,70 27.246,71 8.689,72 68.605,73 11.781,74 0.578,75 1.223,76 28.126,77 8.471,78 66.116,79 12.065,80 0.693,81 1.175,82 26.117,83 7.906,84 94.566,85 10.91,86 0.797,87 1.171,88 26.983,89 8.191,90 89.01,91 11.162,92 0.617,93 1.134,94 25.969,95 8.737,96 72.147,97 11.744,98 0.584,99 1.079,100 24.925,101 8.757,102 61.389,103 11.31,104 19,105 38,106 0.27,107 0.626,108 0.795,109 0.843,110 0.85,111 0.857,112 3.304,113 0.919,114 -2.41,115 -2.44,116 -2.39,120 39.6,121 2,122 1,123 1,126 2,128 1,143 5,145 3,152 1,153 1,159 2,174 5,177 4,180 2,182 3,185 4,188 2,189 5,192 2,193 1,194 4,197 1,201 6,204 1,206 4,213 1,214 5,217 2,219 4,222 3,226 2,227 4,230 1,232 2,235 5,239 1,240 6,243 1,245 1,247 8,252 5,255 1,260 6,263 1,264 4,271 3,274 1070,275 17.361,276 17.361,277 17.361,278 17.361,279 17.361,280 15.794,281 19.497,282 10.419,283 17.69,284 13.843,285 13.843,286 13.843,287 13.843,288 13.843,289 11.359,290 25.814,291 4.978,292 14.351,293 4.009,294 1.925,295 0.94,296 0.656,297 0.615,298 0.573,299 3.982,305 1,306 1,307 1,308 568,309 4.123,312 83.829,313 153.882,317 130.626,320 1.5,321 34.127,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 58,333 267,334 4.289,335 3.767,336 6.202,337 3.935,338 2.963,339 3.921,340 1.956,341 9.284,342 2.898,343 4.183,344 3.521,345 6.151,346 3.848,347 2.881,348 3.703,349 1.058,350 9.052,351 2.77,352 3.938,353 3.249,354 5.924,355 3.672,356 2.673,357 3.168,358 0.86,359 8.253,360 2.651,361 3.513,362 2.472,363 5.258,364 3.231,365 2.27,366 2.773,367 0.86,368 6.672,369 2.178,370 3.203,371 2.317,372 4.628,373 3,374 2.007,375 2.404,376 0.248,377 4.967,378 1.981,379 3.124,380 2.194,381 4.417,382 2.738,383 1.726,384 2.14,386 4.383,387 1.736,388 2.923,389 2.174,390 4.338,391 2.53,392 1.618,393 2.061,395 4.212,396 1.469,397 2.483,398 1.81,399 3.774,400 2.328,401 1.409,402 1.481,404 3.042,405 1.281,406 2.406,407 1.785,408 3.606,409 2.1,410 1.106,411 1.347,413 2.743,414 1.09,415 2.178,416 1.038,417 3.193,418 1.726,419 0.724,420 0.972,422 1.718,423 0.716,424 2.118,425 1.02,426 3.141,427 1.618,428 0.663,429 0.927,431 1.555,432 0.618,433 1.912,434 0.618,435 3,436 1.585,437 0.618,438 0.805,440 1.372,441 0.606,442 1.196,443 0.586,444 2.699,445 0.846,446 -0.118,447 -0.144,449 -0.299,450 -0.112,451 0.896,452 0.351,453 2.439,454 0.695,455 -0.31,456 -0.344,458 -0.798,459 -0.309,460 0.688,461 -0.046,462 2.26,463 0.313,464 -0.618,465 -0.729,467 -1.588,468 -0.564,469 11.967,470 0.46,471 0.647,472 0.025,473 31.5,474 1.212,475 14.5,476 0.558,477 17,478 0.654,479 21.967,480 0.845,481 29.433,482 0.613,483 23.871,484 0.918,485 6.206,486 0.239,487 6.319,488 0.243,489 0.139,491 0.334,496 0.809,497 1.37,498 0.775,499 1.226,500 0.599,501 1.022,502 0.951,503 1.246,504 0.862,505 1.136,506 0.624,507 1.007,508 0.984,509 1.029,510 1.02,511 1,512 0.957,513 1.015,514 1.003,515 1.036,516 0.889,517 0.91,518 1.235,519 0.868,520 1.083,521 1.052,522 1.051,523 0.98,524 1.432,525 0.992,526 1.114,527 0.93,528 1.09,529 0.914,530 1.539,531 0.97,532 0.997,533 0.993,534 0.982,535 1.008,536 1.283,537 0.995,538 1.226,539 1.008,540 1.222,541 1.1,542 1.204,543 1.16,544 5.5,545 0.116,546 2.667,547 1.34,548 1.646,549 0.621,550 0.63,551 0.444,552 0.27,553 0.203,554 7895,555 22545,556 2.037,557 45.8,558 7,559 10,560 1,562 2,564 2,567 1.694,568 1.902,569 3.345,570 0.289,571 1,572 1,575 75.65,576 1.576,577 3.659,578 4.645,579 4.929,580 4.97,581 5.012,582 2.738,583 4.056,584 4.674,585 3.502,586 1138.02,587 8.113,588 14465.8,590 1,592 1,593 268.078,594 1.42,595 4.628,596 0.196,597 0.006,598 0.07,599 0.037,600 0.047,601 0.018,602 0.019,603 0.013,604 0.01,605 0.009,606 0.427,607 0.33,608 1,609 0.958,610 127.467,611 -0.06,612 -0.138,613 0.048,614 -0.093,615 -0.046,616 -0.008,617 -0.007,618 -0.146,619 0.053,620 -0.09,621 0.05,622 -0.024,623 0.067,624 -0.003,625 -0.041,626 -0.034,627 0.007,628 -0.063,629 -0.068,630 -0.038,631 0.1,632 0.033,633 -0.049,634 0.096,635 -0.037,636 -0.01,637 -0.068,638 -0.035,639 0.033,640 -0.053,641 -0.03,642 0.089,643 -0.097,644 0.033,645 -0.083,646 -0.029,647 -0.014,648 -0.007,649 -0.01,650 -0.016,651 -0.038,652 -0.012,653 -0.182,654 -0.035,655 -0.256,656 -0.086,657 -0.193,658 -0.176,659 2.085,660 5.693,661 0.577,662 22.473,663 1.014,664 1.129,665 1.182,666 1.397,667 0.644,668 3.367,669 3.664,670 3.871,671 4.094,672 4.234,673 4.22,674 4.29,675 4.369,676 4.407,677 4.304,678 6.263,679 0.623,680 358.43,681 3.367,682 4.89,683 5.714,684 6.572,685 7.414,686 8.274,687 9.122,688 9.982,689 10.835,690 11.694,691 4.2,698 2,709 6,712 1,714 4,716 11,723 1,735 2,738 48,739 13,740 1,741 28,743 50,744 19,745 10,746 3,747 3,748 1,752 3,753 4,759 2,766 2,768 12,769 7,770 1,772 2,778 2,782 2,785 1,786 1,788 1,789 22,790 7,791 2,792 7,797 2,803 0.667,804 5,822 1,823 2,827 1,838 1,855 2,859 2,862 26,869 3,871 2,872 2,874 2,886 10.4,889 2,891 3,893 13.667,894 9,895 5.75,896 2.91,898 1.712,899 1.248,900 0.938,901 6.09,902 8.612,903 3.597,904 4.107,905 4.571,906 5.043,907 5.353,908 5.466,909 5.609,910 5.843,911 5.932,912 5.844,913 0.857,914 36,915 9.669,917 4.11,918 7.91,919 18.11,921 14.511,924 2.41,925 62.667,928 1,929 235.422,930 116.592,931 36.022,933 81.797,936 116.592,937 317.219,938 36.022,939 17.65,940 47.741,941 59.121,942 59.699,943 44.751,944 17.22,945 223.651,947 235.422,948 152.614,949 81.797,952 211.88,953 105.339,956 65.391,957 87.222,960 235.422,961 117.818,962 116.592,965 235.422,966 39.821,967 76.771,968 36.022,969 81.797,970 235.422,971 117.818,972 116.592,973 0.576,974 0.322,975 0.175,976 0.092,977 17,978 8,979 0.12,980 6,981 1,982 1.133,983 3.799,984 209.329,985 0.133,986 15,987 120.211,993 18.642,994 8.493,995 4.952,997 117.818,998 9.812,1001 5.087,1003 1.999,1005 36.022,1006 469.833,1007 35.5,1013 24.918,1017 -0.715,1020 48.676,1021 54.196,1022 0.282,1023 0.655,1024 0.832,1025 0.882,1026 0.89,1027 0.897,1028 4.826,1029 1.409,1030 5.687,1031 4.212,1032 4.344,1033 4.792,1034 2.549,1035 6.447,1036 4.281,1037 5.997,1038 1.106,1039 7.216,1040 3.042,1041 3.892,1042 4.511,1043 1.593,1044 7.235,1045 3.836,1046 7.276,1047 0.724,1048 8.843,1049 2.743,1050 5.889,1051 6.844,1052 3.232,1053 10.297,1054 5.771,1055 8.586,1056 0.663,1057 10.526,1058 1.718,1059 6.236,1060 7.388,1061 3.114,1062 11.888,1063 6.126,1064 9.928,1065 0.618,1066 12.246,1067 1.555,1068 7.699,1069 9.186,1070 4.274,1071 14.441,1072 7.534,1073 11.291,1074 -0.118,1075 13.99,1076 1.372,1077 8.417,1078 10.113,1079 4.559,1080 16.365,1081 8.25,1082 12.671,1083 -0.31,1084 15.75,1085 -0.299,1086 9.656,1087 11.685,1088 5.489,1089 18.721,1090 9.444,1091 2.963,1092 -0.618,1093 17.523,1094 -0.798,1095 10.553,1096 12.804,1097 5.961,1098 20.795,1099 10.328,1100 2.881,1101 9.284,1102 19.305,1103 -1.588,1104 11.693,1105 14.269,1106 6.773,1107 23.068,1108 11.432,1109 2.673,1110 9.052,1111 21.093,1112 3.921,1113 12.676,1114 15.489,1115 7.337,1116 25.211,1117 12.397,1118 2.27,1119 8.253,1120 22.887,1121 3.703,1122 13.773,1123 16.9,1124 8.087,1125 27.448,1126 13.462,1127 2.007,1128 6.672,1129 24.684,1130 3.168,1131 14.799,1132 18.176,1133 8.698,1134 29.625,1135 14.465,1136 1.726,1137 4.967,1138 26.485,1139 2.773,1140 15.878,1141 19.56,1142 9.414,1143 31.847,1144 15.515,1145 1.618,1146 4.383,1147 28.288,1148 2.404,1149 16.924,1150 20.867,1151 10.051,1152 34.041,1153 16.536,1154 7665,1155 13106,1156 18.493,1157 30.898,1158 42.112,1159 43.333,1160 42.123,1161 41.309,1162 41.319,1163 51.403,1164 9.965,1165 114.508,1166 39.989,1167 5.233,1168 5.767,1169 5.89,1170 5.075,1171 4.963,1172 6.921,1173 3.429,1174 15.759,1175 4.898,1176 12.756,1177 1.504,1178 1.548,1179 1.504,1180 1.475,1181 1.476,1182 1.836,1183 0.356,1184 4.09,1185 1.428,1186 3.98,1187 4.002,1188 3.931,1189 3.855,1190 7.434,1191 3.868,1192 3.908,1193 3.916,1194 3.863,1195 3.748,1196 7.424,1197 3.773,1198 3.763,1199 3.808,1200 3.656,1201 3.627,1202 5.051,1203 3.623,1204 3.524,1205 3.577,1206 3.395,1207 3.302,1208 4.951,1209 3.32,1210 3.409,1211 3.466,1212 3.275,1213 3.212,1214 4.387,1215 3.217,1216 3.163,1217 3.192,1218 3.101,1219 2.891,1220 4.262,1221 2.938,1222 2.924,1223 3.009,1224 2.802,1225 2.745,1226 4.213,1227 2.747,1228 2.874,1229 2.98,1230 2.68,1231 2.654,1232 3.956,1233 2.652,1234 0.153,1235 0.135,1236 0.222,1237 0.141,1238 0.106,1239 4.289,1240 0.14,1241 3.767,1242 0.07,1243 6.202,1244 0.332,1245 3.935,1246 0.103,1247 2.963,1248 3.921,1249 1.956,1250 9.284,1251 2.898,1252 1.897,1253 1.879,1254 2.019,1255 2.042,1256 1.312,1257 2.027,1258 1.777,1259 1.727,1260 1.975,1261 1.952,1262 1.106,1263 1.961,1264 1.553,1265 1.523,1266 1.714,1267 1.76,1268 0.924,1269 1.746,1270 1.448,1271 1.4,1272 1.68,1273 1.678,1274 0.83,1275 1.67,1276 1.389,1277 1.349,1278 1.613,1279 1.586,1280 0.707,1281 1.595,1282 1.274,1283 1.252,1284 1.417,1285 1.53,1286 0.469,1287 1.506,1288 0.934,1289 0.868,1290 1.416,1291 1.239,1292 0.359,1293 1.308,1294 0.93,1295 0.804,1296 1.188,1297 1.222,1298 0.237,1299 1.21,1300 4.043,1302 5.342,1303 2.398,1304 6.819,1305 4.443,1306 8.38,1307 6.293,1308 9.989,1310 3.979,1315 1.483,1317 5.561,1318 10.998,1320 -0.455,1326 29.885,1327 75.65,1328 175.656,1329 222.959,1330 236.568,1331 238.568,1332 240.568,1333 56.638,1334 6.9,1335 89.8,1336 89.8,1337 17,1338 12.246,1339 3.807,1340 3.087,1341 44.201,1342 96,1343 90,1344 0.218,1345 183.923,1346 325.85,1347 440.532,1348 8564,1350 18.518,1351 0.712,1352 0.569,1353 18.518,1354 14.781,1355 12.525,1356 0.447,1357 0.306,1358 8.416,1359 11.874,1360 8.21,1361 6.835,1362 12.525,1363 8.576,1364 11.344,1365 0.299,1366 0.171,1367 11.344,1368 6.481,1369 8.811,1370 0.187,1371 0.083,1372 8.811,1373 3.884,1374 7.266,1375 0.123,1376 0.046,1377 7.266,1378 2.691,1379 5.496,1380 0.081,1381 0.024,1382 5.496,1383 1.665,1384 0.341,1385 79.845,1386 0.233,1387 25.172,1388 0.602,1389 132,1390 457.343,1391 151.165,1392 420.77,1393 562.64,1394 394,1395 151,1396 403.771,1397 170.583,1398 398.39,1399 582.4,1400 375,1401 4.947}
{0 CHEMBL1446971,1 1.594,2 11.654,3 3.462,4 11.985,5 97.495,6 7.748,7 0.444,8 3.916,9 4.017,10 3.495,11 3.407,12 5.144,13 3.406,14 4.399,15 4.545,16 3.785,17 3.719,18 5.721,19 3.705,20 4.592,21 4.761,22 3.817,23 3.811,24 5.811,25 3.778,26 4.591,27 4.776,28 3.738,29 3.805,30 5.697,31 3.752,32 4.664,33 4.863,34 3.788,35 3.784,36 5.856,37 3.746,38 4.665,39 4.852,40 3.718,41 3.687,42 5.961,43 3.657,44 4.539,45 4.755,46 3.545,47 3.575,48 5.731,49 3.517,50 4.377,51 4.596,52 3.529,53 3.531,54 5.585,55 3.479,56 0.163,57 0.62,58 8.707,59 4.218,60 8.318,61 5.133,62 0.392,63 0.908,64 16.409,65 6.665,66 52.205,67 8.272,68 0.672,69 1.052,70 21.451,71 7.645,72 61.79,73 9.624,74 0.384,75 1.072,76 20.963,77 7.905,78 40.982,79 10.205,80 0.455,81 1.086,82 23.796,83 8.352,84 44.203,85 10.855,86 0.788,87 1.017,88 24.893,89 7.782,90 91.13,91 9.708,92 0.744,93 0.904,94 22.667,95 7.063,96 80.06,97 9.341,98 0.497,99 0.837,100 18.31,101 6.178,102 55.026,103 8.514,104 35,105 35,106 0.273,107 0.621,108 0.801,109 0.882,110 0.889,111 0.889,112 3.303,113 0.896,114 -4.15,115 -4.09,116 -3.87,120 41.3,121 2,126 2,136 1,138 1,143 7,144 2,145 3,159 1,167 2,174 9,176 1,177 4,180 1,182 2,185 9,188 2,189 7,192 1,194 3,197 6,201 9,206 1,209 2,214 13,219 1,222 2,226 2,227 8,230 1,232 2,235 2,239 3,240 2,245 1,247 2,251 2,252 5,257 2,260 7,264 5,271 9,274 1124,275 17.284,276 17.284,277 17.284,278 17.284,279 17.284,280 15.12,281 18.769,282 10.597,283 17.686,284 13.297,285 13.297,286 13.297,287 13.297,288 13.297,289 10.015,290 19.939,291 4.984,292 13.84,293 3.93,294 1.9,295 0.851,296 0.381,297 0.337,298 0.337,299 3.968,305 1,306 1,307 1,308 616,309 3.937,313 200.487,320 1.885,321 32.513,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 303,334 4.283,335 3.673,336 6.181,337 3.869,338 2.917,339 3.935,340 2.612,341 9.22,342 2.785,343 4.184,344 3.629,345 6.052,346 3.807,347 2.826,348 3.787,349 2.03,350 8.691,351 2.763,352 3.916,353 3.2,354 5.274,355 3.346,356 2.373,357 3.467,358 0.892,359 6.727,360 2.299,361 3.615,362 2.893,363 5.002,364 3.232,365 2.234,366 2.906,367 0.86,368 5.936,369 2.213,370 3.518,371 2.371,372 4.609,373 3.029,374 2.056,375 2.761,376 0.141,377 5.037,378 1.992,379 2.95,380 2.276,381 4.418,382 2.583,383 1.677,384 2.087,386 4.38,387 1.511,388 2.876,389 1.671,390 4.102,391 2.414,392 1.414,393 2.039,395 3.619,396 1.414,397 2.811,398 1.476,399 3.597,400 2.395,401 1.408,402 1.925,404 2.965,405 1.386,406 2.453,407 1.472,408 3.274,409 1.94,410 1,411 1.18,413 1.92,414 0.93,415 2.17,416 1.223,417 3.134,418 1.751,419 0.808,420 1.096,422 1.68,423 0.752,424 1.863,425 1,426 2.988,427 1.465,428 0.51,429 0.696,431 1.153,432 0.484,433 1.401,434 0.941,435 2.611,436 1.081,437 0.104,438 0.127,440 0.231,441 0.101,442 1.141,443 0.599,444 2.298,445 0.802,446 -0.149,447 -0.176,449 -0.289,450 -0.139,451 1,452 0.372,453 2.136,454 0.467,455 -0.493,456 -0.593,458 -1.041,459 -0.47,460 0.797,461 -0.014,462 2,463 0.403,464 -0.606,465 -0.783,467 -1.409,468 -0.606,469 11.967,470 0.46,471 0.596,472 0.023,473 35.5,474 1.365,475 19.5,476 0.75,477 16,478 0.615,479 18.026,480 0.693,481 28.833,482 0.627,483 27.304,484 1.05,485 7.411,486 0.285,487 5.08,488 0.195,489 0.167,491 0.284,496 0.583,497 1.199,498 0.735,499 1.123,500 0.543,501 0.996,502 0.837,503 1.113,504 0.828,505 1.066,506 0.481,507 0.969,508 1.007,509 0.971,510 1.02,511 0.952,512 0.832,513 0.982,514 0.942,515 1.185,516 1.04,517 1.187,518 0.709,519 1.142,520 1.041,521 1.136,522 0.931,523 1.123,524 0.773,525 1.021,526 1.385,527 1.004,528 1.153,529 1.017,530 1.428,531 1.034,532 1.073,533 0.842,534 0.988,535 0.838,536 1.008,537 0.887,538 0.667,539 0.928,540 0.763,541 0.869,542 0.703,543 0.837,544 5.5,545 0.165,546 2.667,547 1.188,548 1.436,549 0.722,550 0.465,551 0.451,552 0.247,553 0.131,554 7851,555 26299,556 1.952,557 43.5,558 3,559 12,560 1,562 1,564 3,567 1.69,568 1.814,569 3.509,570 -0.294,572 1,575 73.325,576 1.594,577 3.624,578 4.672,579 5.143,580 5.186,581 5.186,582 2.969,583 4.547,584 4.669,585 3.695,586 1200.93,587 8.086,588 15792.8,590 1,592 1,593 254.084,594 1.448,595 4.62,596 0.204,597 0.009,598 0.076,599 0.034,600 0.045,601 0.022,602 0.016,603 0.018,604 0.009,605 0.005,606 0.439,607 0.33,608 1,609 1.388,610 129.751,611 0.112,612 -0.002,613 0.047,614 -0.033,615 -0.028,616 -0.02,617 0.063,618 -0.051,619 0.062,620 -0.023,621 0.183,622 0.01,623 0.019,624 0.056,625 -0.074,626 0.043,627 -0.041,628 -0.024,629 -0.107,630 -0.157,631 -0.122,632 -0.178,633 -0.064,634 -0.154,635 -0.083,636 -0.171,637 0.043,638 -0.135,639 0.036,640 -0.033,641 -0.098,642 -0.071,643 -0.118,644 -0.072,645 -0.126,646 -0.1,647 0.049,648 0.076,649 0.049,650 0.113,651 -0.025,652 0.085,653 0.174,654 0.058,655 0.211,656 0.109,657 0.122,658 0.164,659 2.541,660 5.088,661 0.462,662 27.479,663 1.017,664 1.126,665 2.921,666 8.53,667 0.655,668 3.332,669 3.584,670 3.738,671 3.912,672 4.111,673 4.025,674 4.025,675 4.111,676 4.06,677 3.951,678 6.968,679 0.638,680 356.41,681 3.332,682 4.828,683 5.624,684 6.46,685 7.28,686 8.119,687 8.949,688 9.79,689 10.625,690 11.467,691 4.3,698 1,703 1,709 7,714 5,716 12,735 2,738 46,739 16,740 2,741 27,743 47,744 19,745 12,746 5,747 7,748 2,752 2,753 2,759 2,768 15,769 4,772 4,775 1,778 3,780 2,782 1,785 1,786 1,789 20,790 6,791 1,792 7,797 2,803 1,804 5,823 2,838 1,845 1,850 1,855 2,859 2,862 26,869 2,871 1,872 2,886 10.9,889 1,891 2,892 2,893 14.333,894 8.783,895 5.972,896 2.689,898 2.562,899 1.384,900 0.923,901 7.33,902 9.234,903 3.638,904 4.174,905 4.605,906 5.061,907 5.589,908 5.636,909 5.849,910 6.123,911 6.264,912 6.019,913 0.875,914 35,915 9.558,917 3.874,918 8.096,919 17.601,921 13.3,924 2.596,925 67.5,928 1,929 223.651,930 136.012,931 23.681,933 97.892,936 136.012,937 321.543,938 23.681,939 23.32,940 36.243,941 75.81,942 29.85,943 41.615,944 11.771,945 211.88,946 50.747,947 223.651,948 159.693,949 97.892,952 188.338,953 82.458,954 50.747,956 44.846,957 105.371,958 9.476,960 223.651,961 121.572,962 136.012,965 223.651,966 33.504,967 108.178,968 18.011,969 97.892,970 223.651,971 121.572,972 136.012,973 0.561,974 0.306,975 0.16,976 0.096,977 13,978 7,979 0.17,980 8,982 1,983 3.807,984 194.69,986 12,987 118.211,993 19.634,994 9.706,995 6.285,997 115.902,998 12.343,1003 3.095,1005 18.011,1006 481.235,1007 37,1010 -0.541,1013 32.928,1015 2.207,1017 -0.293,1020 46.793,1021 51.78,1022 0.289,1023 0.656,1024 0.846,1025 0.931,1026 0.939,1027 0.939,1028 4.828,1029 1.408,1030 5.58,1031 3.619,1032 4.263,1033 4.86,1034 3.108,1035 6.297,1036 4.192,1037 6.02,1038 1,1039 7.084,1040 2.965,1041 3.761,1042 4.649,1043 2.675,1044 7.034,1045 3.686,1046 7.306,1047 0.808,1048 8.686,1049 1.92,1050 5.765,1051 6.992,1052 4.5,1053 10.061,1054 5.629,1055 8.624,1056 0.51,1057 10.345,1058 1.68,1059 6.043,1060 7.542,1061 4.738,1062 11.615,1063 5.889,1064 9.97,1065 0.104,1066 12.041,1067 1.153,1068 7.525,1069 9.378,1070 6.157,1071 14.145,1072 7.324,1073 11.333,1074 -0.149,1075 13.763,1076 0.231,1077 8.181,1078 10.282,1079 6.707,1080 16.053,1081 7.95,1082 12.711,1083 -0.493,1084 15.504,1085 -0.289,1086 9.431,1087 11.896,1088 7.923,1089 18.392,1090 9.164,1091 2.917,1092 -0.606,1093 17.258,1094 -1.041,1095 10.283,1096 12.986,1097 8.643,1098 20.46,1099 9.975,1100 2.826,1101 9.22,1102 19.024,1103 -1.409,1104 11.425,1105 14.487,1106 9.749,1107 22.721,1108 11.085,1109 2.373,1110 8.691,1111 20.799,1112 3.935,1113 12.378,1114 15.682,1115 10.568,1116 24.861,1117 11.994,1118 2.234,1119 6.727,1120 22.58,1121 3.787,1122 13.471,1123 17.12,1124 11.611,1125 27.089,1126 13.054,1127 2.056,1128 5.936,1129 24.368,1130 3.467,1131 14.475,1132 18.377,1133 12.489,1134 29.264,1135 14.015,1136 1.677,1137 5.037,1138 26.159,1139 2.906,1140 15.546,1141 19.779,1142 13.497,1143 31.478,1144 15.052,1145 1.414,1146 4.38,1147 27.955,1148 2.761,1149 16.576,1150 21.073,1151 14.408,1152 33.669,1153 16.039,1154 7982,1155 14780,1156 17.394,1157 30.137,1158 39.193,1159 40.906,1160 40.263,1161 38.624,1162 38.657,1163 52.013,1164 13.072,1165 103.12,1166 37.262,1167 5.187,1168 5.673,1169 5.944,1170 4.944,1171 4.917,1172 6.935,1173 4.612,1174 15.53,1175 4.785,1176 15.096,1177 1.452,1178 1.515,1179 1.491,1180 1.431,1181 1.432,1182 1.926,1183 0.484,1184 3.819,1185 1.38,1186 3.983,1187 4.005,1188 3.936,1189 3.887,1190 7.816,1191 3.892,1192 3.919,1193 3.949,1194 3.86,1195 3.846,1196 7.429,1197 3.845,1198 3.733,1199 3.756,1200 3.706,1201 3.403,1202 6.999,1203 3.456,1204 3.522,1205 3.554,1206 3.447,1207 3.273,1208 4.914,1209 3.308,1210 3.458,1211 3.523,1212 3.275,1213 3.239,1214 4.755,1215 3.238,1216 3.17,1217 3.257,1218 3.003,1219 3.023,1220 4.43,1221 2.999,1222 3.068,1223 3.097,1224 2.96,1225 2.788,1226 4.373,1227 2.841,1228 2.885,1229 2.951,1230 2.744,1231 2.716,1232 3.972,1233 2.71,1234 0.159,1235 0.136,1236 0.229,1237 0.143,1238 0.108,1239 4.283,1240 0.146,1241 3.673,1242 0.097,1243 6.181,1244 0.341,1245 3.869,1246 0.103,1247 2.917,1248 3.935,1249 2.612,1250 9.22,1251 2.785,1252 1.921,1253 1.9,1254 2.038,1255 2.05,1256 1.138,1257 2.032,1258 1.908,1259 1.883,1260 2.003,1261 2.013,1262 1.11,1263 2.013,1264 1.535,1265 1.501,1266 1.793,1267 1.894,1268 0.929,1269 1.811,1270 1.45,1271 1.389,1272 1.649,1273 1.705,1274 0.746,1275 1.72,1276 1.389,1277 1.345,1278 1.563,1279 1.66,1280 0.603,1281 1.638,1282 1.208,1283 1.128,1284 1.551,1285 1.418,1286 0.563,1287 1.469,1288 0.929,1289 0.89,1290 1.167,1291 1.234,1292 0.223,1293 1.2,1294 0.859,1295 0.803,1296 1.13,1297 1.099,1298 0.183,1299 1.105,1300 4.007,1302 5.273,1304 6.72,1306 8.256,1308 9.84,1310 3.717,1315 0.215,1317 2.785,1318 11.043,1326 29.358,1327 73.325,1328 166.684,1329 214.923,1330 236.574,1331 238.574,1332 238.574,1333 60.712,1334 6.672,1335 93.38,1336 93.38,1337 12,1338 12.032,1339 4.087,1340 3.459,1341 55.088,1342 107,1343 102,1344 0.246,1345 185.461,1346 332.93,1347 444.286,1348 6597,1350 18.941,1351 0.728,1352 0.561,1353 18.941,1354 14.599,1355 12.49,1356 0.463,1357 0.299,1358 7.918,1359 11.825,1360 7.695,1361 6.45,1362 12.49,1363 8.061,1364 10.899,1365 0.311,1366 0.154,1367 10.899,1368 5.392,1369 8.085,1370 0.197,1371 0.084,1372 8.085,1373 3.434,1374 6.236,1375 0.127,1376 0.045,1377 6.236,1378 2.206,1379 5.195,1380 0.087,1381 0.024,1382 5.195,1383 1.452,1384 0.394,1385 79.681,1386 0.24,1387 25.594,1388 0.655,1389 124,1390 472.656,1391 141.198,1392 441.375,1393 577.09,1394 408,1395 138,1396 409.812,1397 154.066,1398 404.684,1399 576.24,1400 378,1401 5.293}
{0 CHEMBL1447281,1 1.673,2 10.952,3 2.771,4 7.676,5 85.358,6 10.153,7 0.545,8 3.612,9 3.716,10 3.438,11 3.256,12 4.854,13 3.223,14 4.033,15 4.157,16 3.801,17 3.586,18 5.298,19 3.525,20 4.284,21 4.462,22 3.835,23 3.644,24 5.552,25 3.554,26 4.219,27 4.407,28 3.556,29 3.415,30 5.554,31 3.341,32 4.052,33 4.258,34 3.393,35 3.215,36 5.35,37 3.159,38 3.923,39 4.133,40 3.533,41 3.158,42 5.144,43 3.08,44 3.824,45 4.041,46 3.254,47 3.1,48 5.153,49 3.003,50 3.722,51 3.926,52 3.265,53 3.04,54 4.94,55 2.964,56 0.066,57 0.449,58 3.417,59 2.759,60 5.519,61 3.214,62 0.12,63 0.662,64 6.247,65 4.491,66 11.359,67 5.226,68 0.232,69 0.808,70 21.495,71 6.809,72 29.685,73 7.729,74 0.321,75 0.752,76 21.18,77 6.056,78 46.944,79 6.359,80 0.301,81 0.658,82 12.164,83 4.633,84 45.481,85 5.036,86 0.238,87 0.584,88 13.145,89 4.308,90 32.275,91 4.705,92 0.233,93 0.525,94 14.133,95 4.118,96 41.078,97 4.904,98 0.127,99 0.45,100 14.087,101 3.837,102 13.673,103 4.614,104 10,105 28,106 0.306,107 0.53,108 0.688,109 0.809,110 0.846,111 0.846,112 3.101,113 0.959,114 -4.76,115 -4.67,116 -4.39,118 1,120 47.1,136 1,138 1,143 9,144 2,145 1,158 1,159 1,171 1,174 10,177 3,180 1,182 2,185 13,189 4,192 1,194 4,197 9,201 4,204 1,206 5,209 3,214 2,217 1,219 6,222 1,227 1,232 5,235 3,239 1,240 2,245 2,247 3,252 4,257 1,260 5,264 4,269 1,271 8,274 565,275 14.104,276 14.104,277 14.104,278 14.104,279 14.104,280 12.211,281 8.458,282 8.669,283 14.288,284 10.838,285 10.838,286 10.838,287 10.838,288 10.838,289 7.996,290 5.186,291 4.124,292 11.148,293 3.415,294 2.194,295 1.332,296 0.669,297 0.471,298 0.471,299 3.763,305 1,306 1,307 1,308 478,309 3.391,313 162.375,320 1.583,321 20.316,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44.75,333 230,334 4.196,335 3.549,336 6.026,337 3.825,338 2.814,339 3.774,340 0.98,341 8.571,342 2.849,343 4.14,344 3.489,345 6.017,346 3.791,347 2.781,348 3.67,350 8.536,351 2.8,352 3.687,353 2.867,354 5.022,355 3.189,356 2.288,357 3.067,359 6.021,360 1.998,361 3.301,362 2.187,363 4.331,364 2.871,365 1.88,366 2.56,368 4.339,369 1.852,370 3.09,371 1.97,372 4.17,373 2.572,374 1.601,375 2.223,377 3.843,378 1.503,379 2.66,380 1.774,381 3.561,382 2.259,383 1.267,384 1.665,386 2.859,387 1.224,388 2.505,389 1.323,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.268,400 2,401 1,402 1.5,404 2.136,405 1,406 2.5,407 1,408 3.247,409 1.955,410 0.942,411 1.341,413 2.13,414 0.935,415 1.731,416 0.829,417 2.653,418 1.252,419 0.217,420 0.302,422 0.46,423 0.216,424 1.114,425 0.428,426 2.167,427 0.59,428 -0.258,429 -0.328,431 -0.551,432 -0.151,433 0.754,434 0.066,435 2,436 0.293,437 -0.702,438 -0.878,440 -1.562,441 -0.683,442 0.57,443 -0.524,444 1.756,445 0.267,446 -0.788,447 -1.143,449 -1.689,450 -0.815,451 0.5,452 -0.748,453 1.555,455 -1,456 -1.5,458 -2.347,459 -0.926,460 0.5,461 -1,462 1.516,464 -1,465 -1.5,467 -2.945,468 -1,469 10.8,470 0.514,471 0.421,472 0.02,473 28.5,474 1.357,475 16.5,476 0.786,477 12,478 0.571,479 13.641,480 0.65,481 21,482 0.618,483 18.725,484 0.892,485 5.893,486 0.281,487 4.272,488 0.203,489 0.185,491 0.231,496 0.602,497 0.867,498 0.488,499 0.69,500 0.551,501 0.753,502 0.668,503 1.123,504 0.629,505 0.898,506 0.626,507 0.992,508 0.947,509 1.116,510 1.002,511 1.068,512 0.923,513 1.052,514 1.517,515 1.168,516 0.926,517 1.047,518 1.59,519 1.082,520 1.528,521 1.059,522 0.439,523 0.707,524 1.62,525 0.866,526 1.166,527 1.068,528 0.687,529 0.867,530 1.124,531 0.916,532 0.738,533 0.929,534 0.824,535 0.863,536 0.506,537 0.904,538 0.797,539 0.932,540 0.848,541 0.996,542 0.765,543 0.894,544 3.5,545 0.058,546 2.444,547 1.063,548 0.653,549 0.417,550 0.162,551 0.181,552 0.189,553 0.1,554 4890,555 16931,556 1.995,557 38.2,559 10,560 1,562 2,567 1.622,568 1.881,569 3.436,570 0.331,572 1,574 1,575 56.868,576 1.673,577 2.894,578 3.756,579 4.418,580 4.617,581 4.617,582 2.892,583 3.821,584 4.368,585 3.572,586 750.199,587 7.434,588 8578.63,589 1,590 1,591 1,592 1,593 172.974,594 1.322,595 4.328,596 0.159,597 0.004,598 0.087,599 0.039,600 0.031,601 0.023,602 0.01,603 0.012,604 0.013,605 0.007,606 0.386,607 0.33,608 1,609 0.61,610 98.342,611 -0.001,612 0.213,613 -0.003,614 0.068,615 -0.066,616 0.048,617 0.029,618 -0.087,619 -0.009,620 -0.083,621 -0.003,622 -0.145,623 -0.003,624 -0.15,625 -0.06,626 -0.111,627 0.021,628 -0.091,629 -0.174,630 -0.177,631 -0.101,632 -0.129,633 -0.153,634 -0.154,635 -0.172,636 -0.018,637 0.026,638 0.103,639 -0.194,640 0.037,641 -0.069,642 -0.026,643 0.079,644 0.028,645 -0.089,646 0.029,647 0.182,648 0.094,649 -0.008,650 0.061,651 0.32,652 0.08,653 0.079,654 0.02,655 0.024,656 -0.039,657 0.107,658 0.114,659 1.934,660 4.816,661 0.571,662 16.853,663 1.011,664 1.11,665 3.527,666 12.441,667 0.731,668 3.135,669 3.367,670 3.526,671 3.611,672 3.738,673 3.555,674 3.434,675 3.296,676 3.296,677 3.296,678 6.446,679 0.696,680 345.21,681 3.135,682 4.615,683 5.407,684 6.221,685 7.027,686 7.843,687 8.653,688 9.469,689 10.281,690 11.097,691 5.9,693 1,698 1,709 9,714 3,716 12,721 1,737 1,738 34,739 15,740 2,741 22,742 1,743 35,744 16,745 12,746 3,747 9,748 4,752 2,753 2,768 16,772 3,778 2,780 2,782 2,785 1,786 1,789 13,790 4,791 2,792 5,793 1,797 2,801 1,803 1,804 2,823 2,845 1,855 2,858 1,862 21,871 2,885 1,886 5.9,889 2,893 11.167,894 5.893,895 4.806,896 1.813,898 2.495,899 1.408,900 0.972,901 5.581,902 8.618,903 3.466,904 3.97,905 4.466,906 4.875,907 5.329,908 5.222,909 5.319,910 5.144,911 5.296,912 5.524,913 1,914 27,915 7.704,917 3.142,918 7.98,919 14.275,921 10.924,924 2.48,925 52.083,929 129.482,930 123.074,931 81.731,933 50.29,936 169.028,937 179.772,938 35.776,940 26.936,941 112.651,942 60.128,943 9.426,944 11.771,945 117.711,946 45.954,947 129.482,948 158.851,949 50.29,951 45.954,952 129.482,953 50.29,956 35.776,957 113.598,958 9.476,959 45.954,960 129.482,961 86.066,962 169.028,965 129.482,966 19.264,967 103.81,968 81.731,969 50.29,970 129.482,971 86.066,972 169.028,973 0.564,974 0.318,975 0.153,976 0.081,977 11,978 5,979 0.143,980 5,982 1,983 3.482,984 140.236,986 12,987 84.239,993 15.326,994 7.647,995 4.759,997 86.066,998 15.835,1003 2.027,1005 35.776,1006 384.577,1007 31,1013 23.515,1015 2.75,1017 -0.416,1020 34.389,1021 37.748,1022 0.329,1023 0.569,1024 0.738,1025 0.868,1026 0.908,1027 0.908,1028 4.635,1029 1,1030 5.342,1031 2.275,1032 4.043,1033 4.654,1034 1.072,1035 6.028,1036 4.003,1037 5.81,1038 0.942,1039 6.832,1040 2.136,1041 3.434,1042 4.182,1044 6.72,1045 3.349,1046 7.072,1047 0.217,1048 8.424,1049 2.13,1050 5.517,1051 6.73,1052 1.045,1053 9.74,1054 5.469,1055 8.37,1056 -0.258,1057 10.079,1058 0.46,1059 5.74,1060 7.068,1062 11.285,1063 5.695,1064 9.698,1065 -0.702,1066 11.774,1067 -0.551,1068 7.262,1069 9.06,1070 1.019,1071 13.78,1072 7.231,1073 11.047,1074 -0.788,1075 13.497,1076 -1.562,1077 7.881,1078 9.796,1080 15.664,1081 7.878,1082 12.413,1083 -1,1084 15.239,1085 -1.689,1086 9.148,1087 11.515,1088 0.993,1089 17.959,1090 9.15,1091 2.814,1092 -1,1093 16.994,1094 -2.347,1095 9.967,1096 12.473,1098 19.989,1099 10.001,1100 2.781,1101 8.571,1102 18.759,1103 -2.945,1104 11.11,1105 14.039,1106 0.967,1107 22.201,1108 11.151,1109 2.288,1110 8.536,1111 20.532,1112 3.774,1113 12.031,1114 15.129,1116 24.294,1117 12.1,1118 1.88,1119 6.021,1120 22.309,1121 3.67,1122 13.115,1123 16.604,1124 0.942,1125 26.47,1126 13.191,1127 1.601,1128 4.339,1129 24.091,1130 3.067,1131 14.088,1132 17.776,1134 28.592,1135 14.188,1136 1.267,1137 3.843,1138 25.875,1139 2.56,1140 15.143,1141 19.194,1142 0.917,1143 30.752,1144 15.252,1145 1,1146 2.859,1147 27.662,1148 2.223,1149 16.143,1150 20.417,1152 32.887,1153 16.271,1154 4865,1155 9160,1156 14.504,1157 24.841,1158 32.437,1159 33.751,1160 32.51,1161 31.882,1162 31.581,1163 43.205,1164 1.96,1165 82.34,1166 30.754,1167 5.033,1168 5.549,1169 5.828,1170 4.825,1171 4.814,1172 6.774,1173 1.96,1174 14.484,1175 4.849,1176 9.88,1177 1.474,1178 1.534,1179 1.478,1180 1.449,1181 1.435,1182 1.964,1183 0.089,1184 3.743,1185 1.398,1186 3.949,1187 3.973,1188 6.88,1189 3.897,1190 7.431,1191 3.884,1192 3.903,1193 3.925,1194 3.87,1195 3.843,1196 7.426,1197 3.838,1198 3.59,1199 3.648,1200 3.807,1201 3.44,1202 4.742,1203 3.443,1204 3.325,1205 3.354,1206 3.471,1207 3.095,1208 4.714,1209 3.129,1210 2.993,1211 3.019,1212 3.241,1213 2.894,1214 4.492,1215 2.859,1216 2.854,1217 2.925,1218 2.85,1219 2.735,1220 3.845,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.671,1229 2.746,1230 2.687,1231 2.48,1232 3.674,1233 2.48,1234 0.191,1235 0.161,1236 0.274,1237 0.174,1238 0.128,1239 4.196,1240 0.172,1241 3.549,1242 0.045,1243 6.026,1244 0.39,1245 3.825,1246 0.129,1247 2.814,1248 3.774,1249 0.98,1250 8.571,1251 2.849,1252 1.911,1253 1.893,1254 2.018,1255 2.004,1256 1.093,1257 2.007,1258 1.899,1259 1.875,1260 1.982,1261 1.974,1262 1.074,1263 1.986,1264 1.53,1265 1.487,1266 1.68,1267 1.744,1268 0.672,1269 1.73,1270 1.201,1271 1.168,1272 1.331,1273 1.463,1274 0.307,1275 1.428,1276 0.917,1277 0.889,1278 1.181,1279 1.125,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.056,1291 1.062,1292 0.147,1293 1.105,1294 0.639,1295 0.558,1296 0.907,1297 0.869,1299 0.902,1300 3.807,1302 5.056,1304 6.497,1306 8.016,1308 9.573,1309 3.307,1317 5.065,1326 23.658,1327 56.868,1328 98.391,1329 127.69,1330 150.219,1331 156.974,1332 156.974,1333 39.595,1334 6.122,1335 58.2,1336 58.2,1337 12,1338 11.682,1339 4,1340 3.322,1341 39.719,1342 83,1343 69,1344 0.232,1345 156.609,1346 273.94,1347 373.887,1348 3378,1349 2.9,1350 15.079,1351 0.718,1352 0.601,1353 16.079,1354 12.631,1355 10.165,1356 0.462,1357 0.32,1358 6.226,1359 9.315,1360 6.051,1361 5.057,1362 10.742,1363 7.033,1364 8.657,1365 0.309,1366 0.182,1367 9.474,1368 5.085,1369 6.889,1370 0.209,1371 0.097,1372 7.466,1373 3.197,1374 4.962,1375 0.138,1376 0.052,1377 5.295,1378 1.861,1379 3.78,1380 0.092,1381 0.031,1382 4.208,1383 1.268,1384 0.378,1385 71.469,1386 0.263,1387 21.607,1388 0.593,1389 100,1390 330.791,1391 173.297,1392 359.924,1393 465.55,1394 332,1395 111,1396 300.311,1397 146.553,1398 318.348,1399 453.53,1400 299,1401 4.408}
{0 CHEMBL1447324,1 1.632,2 10.536,3 1.983,4 3.931,5 102.466,6 8.313,7 0.4,8 3.948,9 4.034,10 3.589,11 3.439,12 5.228,13 3.468,14 4.437,15 4.565,16 3.949,17 3.788,18 5.694,19 3.817,20 4.563,21 4.657,22 4.132,23 3.927,24 5.961,25 3.966,26 4.725,27 4.846,28 4.161,29 3.933,30 6.354,31 3.964,32 4.773,33 4.939,34 3.862,35 3.858,36 6.089,37 3.842,38 4.638,39 4.811,40 3.657,41 3.752,42 5.926,43 3.699,44 4.574,45 4.815,46 3.596,47 3.647,48 5.783,49 3.566,50 4.386,51 4.598,52 3.601,53 3.502,54 5.634,55 3.483,56 0.158,57 0.625,58 7.54,59 4.103,60 12.012,61 4.427,62 0.568,63 0.936,64 16.073,65 6.5,66 34.292,67 7.202,68 0.547,69 1.076,70 15.883,71 7.44,72 43.481,73 7.962,74 0.871,75 1.208,76 20.746,77 8.421,78 125.905,79 9.444,80 0.968,81 1.18,82 25.838,83 8.714,84 92.997,85 9.459,86 0.769,87 1.049,88 22.151,89 8.062,90 88.656,91 9.19,92 0.761,93 0.98,94 23.821,95 8.084,96 74.383,97 11.161,98 0.559,99 0.819,100 18.634,101 6.422,102 66.614,103 8.377,104 59,105 43,106 0.279,107 0.6,108 0.704,109 0.775,110 0.793,111 0.823,112 3.375,113 0.822,114 -2.97,115 -2.98,116 -2.87,120 43.5,125 3,136 2,143 5,144 3,145 4,159 3,164 1,165 1,166 1,174 8,176 3,177 8,182 2,185 8,187 2,188 2,189 10,194 2,197 4,199 2,200 4,201 16,203 2,204 2,206 1,209 2,211 1,214 12,216 1,217 1,222 3,227 5,229 1,230 1,232 1,235 5,237 1,239 4,240 4,245 1,247 7,249 1,251 2,257 1,260 4,262 1,263 4,264 4,269 2,271 4,273 2,274 1112,275 18.801,276 18.801,277 18.801,278 18.801,279 18.801,280 16.902,281 21.527,282 10.661,283 19.36,284 14.523,285 14.523,286 14.523,287 14.523,288 14.523,289 11.235,290 22.2,291 4.679,292 15.096,293 3.891,294 2.007,295 1.4,296 0.984,297 0.881,298 0.701,299 4.049,305 1,306 1,307 1,308 619,309 3.606,312 63.744,313 180.941,316 124.607,320 1.459,321 46.945,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 63,333 295,334 4.676,335 4.055,336 7.144,337 4.377,338 3.388,339 4.275,340 1.458,341 12.364,342 3.342,343 4.425,344 3.372,345 6.523,346 4.009,347 3.061,348 4.114,349 0.86,350 10.257,351 2.899,352 3.965,353 3.349,354 6.202,355 3.61,356 2.626,357 3.317,358 0.86,359 8.874,360 2.575,361 3.652,362 3.263,363 5.614,364 3.265,365 2.28,366 2.99,367 0.86,368 6.897,369 2.242,370 3.517,371 2.641,372 5.3,373 3.152,374 2.137,375 2.781,376 0.8,377 6.735,378 2.152,379 3.355,380 2.555,381 5.19,382 2.972,383 2.061,384 2.604,385 0.8,386 6.118,387 1.867,388 3.278,389 2.357,390 4.837,391 2.847,392 1.819,393 2.477,395 4.941,396 1.856,397 2.802,398 1.936,399 4.456,400 2.342,401 1.339,402 1.827,404 3.812,405 1.334,406 2.688,407 1.777,408 3.804,409 2.199,410 1.199,411 1.719,413 2.731,414 1.196,415 2.395,416 1.4,417 3.714,418 1.993,419 1.144,420 1.244,422 2.449,423 0.961,424 2.115,425 1.335,426 3.192,427 1.556,428 0.562,429 0.843,431 1.204,432 0.55,433 1.576,434 1.066,435 2.859,436 1.27,437 0.396,438 0.452,440 0.603,441 0.342,442 1.429,443 0.916,444 2.724,445 1.146,446 0.292,447 0.322,449 0.381,450 0.248,451 1.4,452 0.834,453 2.546,454 0.894,455 -0.147,456 -0.192,458 -0.348,459 -0.148,460 1.112,461 0.255,462 2.487,463 0.708,464 -0.321,465 -0.421,467 -0.704,468 -0.321,469 12.8,470 0.457,471 0.751,472 0.027,473 38.25,474 1.366,475 20,476 0.714,477 18.25,478 0.652,479 20,480 0.714,481 30.4,482 0.661,483 33.618,484 1.201,485 8.238,486 0.294,487 5.183,488 0.185,489 0.227,491 0.422,496 0.79,497 1.265,498 0.69,499 1.122,500 0.638,501 0.917,502 1.026,503 0.827,504 0.721,505 0.702,506 0.695,507 0.643,508 0.927,509 1.229,510 0.764,511 1.131,512 1.019,513 0.943,514 0.897,515 1.251,516 0.899,517 1.233,518 0.847,519 1.101,520 1.509,521 0.937,522 1.323,523 0.965,524 1.214,525 1.063,526 1.279,527 1.061,528 1.334,529 1.115,530 1.335,531 1.223,532 0.54,533 0.796,534 0.739,535 0.842,536 0.798,537 0.855,538 0.765,539 0.884,540 0.669,541 0.852,542 1.019,543 0.758,544 5.5,545 0.235,546 3.778,547 3.799,548 2.308,549 0.958,550 0.492,551 0.397,552 0.344,553 0.317,554 8993,555 30185,556 1.972,557 39.1,559 16,562 2,567 1.711,568 1.787,569 3.348,570 0.282,571 1,572 1,575 75.077,576 1.632,577 3.517,578 4.123,579 4.539,580 4.642,581 4.822,582 2.691,583 4.28,584 4.785,585 3.534,586 1335.66,587 8.317,588 17664.6,590 1,592 1,593 254.084,594 1.56,595 4.702,596 0.183,597 0.009,598 0.088,599 0.076,600 0.048,601 0.027,602 0.018,603 0.015,604 0.012,605 0.011,606 0.487,607 0.33,608 1,609 1.017,610 140.174,611 -0.081,612 -0.121,613 0.033,614 -0.085,615 -0.096,616 -0.006,617 -0.06,618 0.225,619 0.158,620 0.3,621 -0.028,622 0.288,623 0.022,624 -0.159,625 0.053,626 -0.117,627 -0.068,628 -0.039,629 0.169,630 -0.22,631 0.007,632 -0.26,633 0.34,634 -0.194,635 -0.323,636 0.02,637 -0.31,638 -0.011,639 -0.138,640 -0.126,641 -0.239,642 -0.112,643 -0.346,644 -0.136,645 -0.2,646 -0.25,647 0.249,648 0.109,649 0.327,650 0.153,651 0.105,652 0.237,653 0.123,654 0.047,655 0.369,656 0.135,657 0.02,658 0.287,659 2.445,660 5.521,661 0.536,662 23.143,663 1.027,664 1.121,665 1.743,666 3.039,667 0.67,668 3.434,669 3.784,670 4.127,671 4.419,672 4.564,673 4.575,674 4.605,675 4.585,676 4.625,677 4.635,678 6.473,679 0.664,680 382.4,681 3.434,682 4.99,683 5.872,684 6.779,685 7.676,686 8.588,687 9.491,688 10.405,689 11.311,690 12.226,691 4.3,695 1,698 1,709 5,714 7,716 12,728 1,735 3,738 46,739 16,740 2,741 30,743 48,744 20,745 12,746 7,747 5,748 5,752 3,753 4,768 17,769 3,772 4,778 3,780 2,782 3,785 1,786 1,789 18,790 8,791 2,792 8,797 2,800 1,803 0.667,804 6,822 1,823 2,826 1,845 2,855 2,859 3,862 28,863 1,872 3,875 1,886 13,889 3,891 3,893 15.667,894 9.367,895 6.417,896 2.358,898 2.975,899 1.406,900 0.954,901 5.607,902 10.302,903 3.714,904 4.304,905 4.927,906 5.489,907 5.95,908 6.138,909 6.436,910 6.584,911 6.853,912 6.965,913 0.857,914 50,915 10.396,917 4.512,918 8.149,919 18.762,921 14.767,924 2.649,925 74.167,929 188.338,930 141.141,931 36.022,933 108.434,936 141.141,937 296.772,938 36.022,939 32.649,940 3.124,941 99.231,942 89.549,943 61.043,945 188.338,947 188.338,948 177.162,949 108.434,952 188.338,953 108.434,956 3.124,957 155.085,958 18.952,960 188.338,961 144.456,962 141.141,965 188.338,966 42.158,967 102.107,969 141.332,970 188.338,971 144.456,972 141.141,973 0.581,974 0.378,975 0.218,976 0.11,977 20,978 11,979 0.104,980 5,981 1,982 1.133,983 3.757,984 243.102,985 0.133,986 15,987 126.606,993 19.766,994 7.943,995 3.464,997 144.456,998 7.78,1003 2.078,1005 32.897,1006 473.934,1007 40,1013 37.435,1015 2.568,1017 -2.219,1020 47.236,1021 51.575,1022 0.295,1023 0.637,1024 0.747,1025 0.822,1026 0.84,1027 0.873,1028 4.97,1029 1.339,1030 5.889,1031 4.941,1032 4.466,1033 4.99,1034 2.498,1035 6.781,1036 4.406,1037 6.199,1038 1.199,1039 7.507,1040 3.812,1041 4.205,1042 4.924,1043 0.325,1044 7.867,1045 4.137,1046 7.532,1047 1.144,1048 9.227,1049 2.731,1050 6.138,1051 7.2,1052 2.636,1053 11.014,1054 6.031,1055 8.904,1056 0.562,1057 11.004,1058 2.449,1059 6.698,1060 7.926,1061 1.148,1062 12.927,1063 6.571,1064 10.307,1065 0.396,1066 12.819,1067 1.204,1068 8.131,1069 9.708,1070 2.977,1071 15.622,1072 7.98,1073 11.734,1074 0.292,1075 14.66,1076 0.603,1077 9.056,1078 10.799,1079 2.107,1080 17.878,1081 8.882,1082 13.179,1083 -0.147,1084 16.52,1085 0.381,1086 10.319,1087 12.387,1088 3.473,1089 20.432,1090 10.127,1091 3.388,1092 -0.321,1093 18.395,1094 -0.348,1095 11.401,1096 13.655,1097 3.033,1098 22.83,1099 11.189,1100 3.061,1101 12.364,1102 20.283,1103 -0.704,1104 12.61,1105 15.161,1106 4.068,1107 25.342,1108 12.384,1109 2.626,1110 10.257,1111 22.182,1112 4.275,1113 13.759,1114 16.514,1115 3.907,1116 27.8,1117 13.517,1118 2.28,1119 8.874,1120 24.089,1121 4.114,1122 14.956,1123 17.984,1124 4.723,1125 30.302,1126 14.701,1127 2.137,1128 6.897,1129 26.003,1130 3.317,1131 16.134,1132 19.38,1133 4.742,1134 32.786,1135 15.866,1136 2.061,1137 6.735,1138 27.923,1139 2.99,1140 17.331,1141 20.833,1142 5.413,1143 35.288,1144 17.051,1145 1.819,1146 6.118,1147 29.849,1148 2.781,1149 18.522,1150 22.25,1151 5.55,1152 37.786,1153 18.231,1154 8936,1155 16505,1156 19.016,1157 30.83,1158 45.209,1159 48.683,1160 48.885,1161 44.342,1162 44.608,1163 57.932,1164 11.277,1165 134.729,1166 43.13,1167 5.535,1168 6.055,1169 6.687,1170 5.399,1171 5.388,1172 7.275,1173 2.658,1174 19.834,1175 5.342,1176 17.98,1177 1.507,1178 1.623,1179 1.63,1180 1.478,1181 1.487,1182 1.931,1183 0.376,1184 4.491,1185 1.438,1186 4.041,1187 4.057,1188 4.016,1189 3.942,1190 7.461,1191 3.955,1192 3.94,1193 3.948,1194 3.905,1195 3.858,1196 7.413,1197 3.866,1198 3.6,1199 3.622,1200 3.551,1201 3.429,1202 7.408,1203 3.454,1204 3.35,1205 3.385,1206 3.273,1207 3.159,1208 5.09,1209 3.184,1210 3.303,1211 3.355,1212 3.144,1213 3.006,1214 4.977,1215 3.026,1216 3.217,1217 3.29,1218 3.034,1219 2.925,1220 4.58,1221 2.934,1222 3.13,1223 3.196,1224 3.018,1225 2.899,1226 4.475,1227 2.919,1228 3.101,1229 3.165,1230 2.944,1231 2.879,1232 4.46,1233 2.876,1234 0.156,1235 0.135,1236 0.238,1237 0.146,1238 0.113,1239 4.676,1240 0.142,1241 4.055,1242 0.049,1243 7.144,1244 0.412,1245 4.377,1246 0.111,1247 3.388,1248 4.275,1249 1.458,1250 12.364,1251 3.342,1252 1.905,1253 1.896,1254 1.983,1255 2.014,1256 1.108,1257 2.001,1258 1.89,1259 1.872,1260 1.975,1261 1.975,1262 1.086,1263 1.976,1264 1.548,1265 1.532,1266 1.663,1267 1.783,1268 0.673,1269 1.731,1270 1.267,1271 1.239,1272 1.59,1273 1.558,1274 0.584,1275 1.565,1276 1.227,1277 1.163,1278 1.569,1279 1.535,1280 0.57,1281 1.536,1282 1.168,1283 1.086,1284 1.502,1285 1.496,1286 0.535,1287 1.506,1288 1.094,1289 1.021,1290 1.331,1291 1.349,1292 0.307,1293 1.357,1294 1.009,1295 0.995,1296 1.152,1297 1.254,1298 0.211,1299 1.238,1300 4.111,1302 5.451,1303 2.398,1304 7.002,1305 4.949,1306 8.652,1307 7.222,1308 10.353,1310 4.422,1313 5.774,1318 15.763,1321 0.565,1326 30.546,1327 75.077,1328 161.764,1329 189.68,1330 208.8,1331 213.555,1332 221.819,1333 78.341,1334 7.326,1335 109.85,1336 109.85,1337 17,1338 12.739,1339 4.087,1340 3.459,1341 49.772,1342 112,1343 94,1344 0.223,1345 188.729,1346 344.02,1347 452.259,1348 14372,1350 20.422,1351 0.729,1352 0.554,1353 20.422,1354 15.516,1355 13.421,1356 0.447,1357 0.274,1358 8.019,1359 12.65,1360 7.762,1361 6.493,1362 13.421,1363 8.218,1364 11.746,1365 0.273,1366 0.136,1367 11.746,1368 5.846,1369 10.536,1370 0.173,1371 0.07,1372 10.536,1373 4.273,1374 9.28,1375 0.113,1376 0.036,1377 9.28,1378 2.951,1379 6.866,1380 0.072,1381 0.02,1382 6.866,1383 1.878,1384 0.35,1385 86.396,1386 0.229,1387 26.519,1388 0.612,1389 146,1390 551.371,1391 165.386,1392 511.691,1393 680.97,1394 476,1395 177,1396 482.616,1397 197.497,1398 488.377,1399 718.58,1400 453,1401 5.525}
{0 CHEMBL1447668,1 1.901,2 10.444,3 1.948,4 3.795,5 98.103,6 10.737,7 0.214,8 3.846,9 3.926,10 3.692,11 3.32,12 5.191,13 3.358,14 4.328,15 4.433,16 4.094,17 3.657,18 5.849,19 3.68,20 4.531,21 4.659,22 4.16,23 3.766,24 5.936,25 3.78,26 4.503,27 4.615,28 4.167,29 3.722,30 6.237,31 3.742,32 4.536,33 4.688,34 4.031,35 3.675,36 5.926,37 3.669,38 4.45,39 4.608,40 4.029,41 3.628,42 5.975,43 3.631,44 4.361,45 4.473,46 4.173,47 3.651,48 5.769,49 3.667,50 4.451,51 4.557,52 4.4,53 3.657,54 6.052,55 3.668,56 0.321,57 0.577,58 2.936,59 3.432,60 26.956,61 3.256,62 0.767,63 0.832,64 9.281,65 5.901,66 81.482,67 5.839,68 1.058,69 0.952,70 23.509,71 7.45,72 110.902,73 6.893,74 1.021,75 0.922,76 15.44,77 6.854,78 135.74,79 6.636,80 1.053,81 0.895,82 23.206,83 7.56,84 136.149,85 7.24,86 1.003,87 0.835,88 22.123,89 6.975,90 141.906,91 7.208,92 0.747,93 0.812,94 20.946,95 6.414,96 77.536,97 5.75,98 1.055,99 0.839,100 21.455,101 6.755,102 105.901,103 5.922,104 58,105 38,106 0.334,107 0.714,108 0.856,109 0.894,110 0.894,111 0.894,112 3.34,113 0.898,114 -3.08,115 -3.08,116 -2.96,118 1,120 39,121 1,126 2,136 2,139 2,143 3,144 1,145 2,159 2,160 1,167 2,174 4,176 2,177 3,180 3,181 1,182 1,185 6,188 3,189 4,192 2,194 1,197 6,200 3,201 7,204 5,206 2,209 3,213 1,214 11,219 2,222 2,226 2,227 11,230 1,232 2,239 1,240 7,245 3,247 2,251 4,252 8,255 1,257 1,260 3,264 8,267 2,269 2,271 1,274 1191,275 17.577,276 17.577,277 17.577,278 17.577,279 17.577,280 15.68,281 20.689,282 10.467,283 18.164,284 13.754,285 13.754,286 13.754,287 13.754,288 13.754,289 10.674,290 21.692,291 4.867,292 14.613,293 3.456,294 1.287,295 0.476,296 0.262,297 0.262,298 0.262,299 4,306 1,307 1,308 568,309 3.937,313 192.611,320 1.761,321 50.692,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 62.25,333 282,334 4.534,335 3.935,336 6.7,337 4.098,338 3.123,339 4.125,340 2.612,341 10.728,342 3.04,343 4.274,344 3.709,345 6.171,346 3.855,347 2.896,348 3.925,349 2.513,350 9.174,351 2.769,352 3.695,353 3.573,354 5.171,355 3.318,356 2.362,357 3.003,358 1.671,359 6.248,360 2.232,361 3.657,362 3.248,363 5.06,364 3.23,365 2.253,366 2.864,367 0.986,368 6.123,369 2.185,370 3.499,371 3.123,372 5.044,373 3.029,374 2.125,375 2.776,376 0.965,377 5.844,378 1.981,379 3.377,380 2.709,381 4.936,382 2.939,383 2.002,384 2.56,385 0.257,386 5.737,387 1.685,388 3.266,389 2.487,390 4.437,391 2.665,392 1.658,393 2.388,394 0.139,395 4.341,396 1.644,397 2.964,398 1.908,399 4.359,400 2.518,401 1.544,402 2.078,404 3.947,405 1.495,406 2.379,407 1.804,408 3.331,409 2.019,410 1.112,411 1.17,413 2.086,414 0.992,415 2.169,416 1.345,417 3.275,418 1.696,419 0.727,420 1.062,422 1.636,423 0.694,424 1.87,425 1.028,426 2.861,427 1.477,428 0.552,429 0.686,431 1.138,432 0.49,433 1.434,434 1,435 2.682,436 0.976,437 -0.027,438 -0.034,440 -0.067,441 -0.025,442 1.157,443 0.859,444 2.636,445 0.759,446 -0.143,447 -0.174,449 -0.328,450 -0.105,451 1,452 0.724,453 2.351,454 0.566,455 -0.401,456 -0.465,458 -0.908,459 -0.34,460 1,461 0.583,462 2.234,463 0.399,464 -0.584,465 -0.659,467 -1.076,468 -0.516,469 12.867,470 0.477,471 0.774,472 0.029,473 34.5,474 1.278,475 17,476 0.63,477 17.5,478 0.648,479 21.437,480 0.794,481 29.733,482 0.725,483 28.861,484 1.069,485 7.149,486 0.265,487 5.663,488 0.21,489 0.272,491 0.342,496 0.66,497 1.259,498 0.49,499 0.884,500 0.564,501 0.848,502 0.705,503 1.064,504 0.593,505 0.85,506 0.506,507 0.884,508 1.04,509 0.881,510 1.029,511 0.906,512 0.928,513 0.905,514 0.806,515 1.074,516 0.814,517 1.003,518 0.73,519 1.065,520 1.167,521 0.982,522 0.809,523 0.968,524 1.197,525 1.043,526 0.949,527 0.896,528 0.809,529 0.799,530 0.772,531 0.802,532 1.096,533 1.202,534 1.363,535 1.182,536 0.882,537 1.007,538 0.875,539 1.17,540 1.398,541 1.285,542 1.004,543 1.152,544 6.5,545 0.169,546 3.111,547 2.313,548 1.538,549 0.896,550 0.531,551 0.54,552 0.461,553 0.219,554 7768,555 35662,556 1.913,557 34.1,559 9,562 2,564 3,567 1.705,568 1.742,569 3.312,570 0.414,572 1,575 77.95,576 1.901,577 4.07,578 4.882,579 5.095,580 5.095,581 5.095,582 2.745,583 4.607,584 4.726,585 3.536,586 1241.14,587 8.227,588 16337.9,590 1,592 1,593 219.66,594 1.561,595 4.65,596 0.232,597 0.011,598 0.082,599 0.058,600 0.039,601 0.028,602 0.016,603 0.015,604 0.013,605 0.008,606 0.503,607 0.33,608 0.88,609 1.664,610 134.22,611 0.006,612 -0.041,614 -0.017,615 -0.04,616 -0.008,617 0.141,618 0.014,619 0.039,620 0.052,621 0.154,622 0.026,623 -0.091,624 0.129,625 -0.084,626 0.072,627 -0.118,628 0.047,629 0.137,630 -0.034,631 -0.045,632 -0.084,633 0.244,634 -0.157,635 -0.201,636 -0.052,637 -0.021,638 -0.028,639 -0.206,640 -0.036,641 -0.008,642 0.044,643 0.031,644 0.155,645 0.106,646 0.222,647 -0.199,648 -0.175,649 -0.088,650 -0.095,651 -0.106,652 -0.04,653 0.124,654 -0.167,655 0.017,656 -0.178,657 -0.022,658 -0.2,659 2.895,660 4.639,661 0.444,662 24.189,663 1.052,664 1.129,665 1.852,666 3.43,667 0.686,668 3.367,669 3.664,670 3.85,671 4.078,672 4.19,673 4.234,674 4.19,675 4.29,676 4.331,677 4.29,678 6.452,679 0.689,680 440.23,681 3.367,682 4.89,683 5.707,684 6.572,685 7.409,686 8.28,687 9.126,688 10,689 10.85,690 11.726,691 7.3,698 2,703 1,709 3,714 3,716 6,735 1,737 1,738 41,739 13,740 1,741 28,742 1,743 42,744 16,745 6,746 3,747 3,748 5,752 2,753 2,757 1,759 1,768 13,769 3,772 7,775 1,778 5,780 2,782 5,786 1,789 14,790 9,791 2,792 11,793 1,797 3,800 1,803 1,804 7,823 2,841 1,845 4,850 1,855 2,858 1,859 1,862 27,869 2,871 2,872 2,885 1,886 17.1,889 3,891 2,892 2,893 15.5,894 7.676,895 6.111,896 2.312,898 2.516,899 1.367,900 0.923,901 7.386,902 9.37,903 3.664,904 4.197,905 4.627,906 5.135,907 5.527,908 5.767,909 6.013,910 6.383,911 6.729,912 6.879,913 0.857,914 40,915 10.007,917 4.289,918 8.466,919 17.606,921 13.384,924 2.966,925 80.083,929 141.253,930 98.561,931 87.646,933 148.181,936 144.515,937 289.435,938 41.692,939 14.495,940 45.206,941 47.381,942 92.844,943 33.484,944 4.276,945 141.253,946 96.701,947 141.253,948 140.252,949 148.181,951 45.954,952 105.94,953 132.748,954 50.747,956 54.031,957 61.755,958 24.466,959 45.954,960 141.253,961 189.873,962 144.515,965 141.253,966 42.354,967 61.876,968 81.976,969 148.181,970 141.253,971 189.873,972 144.515,973 0.575,974 0.323,975 0.175,976 0.086,977 15,978 9,979 0.19,980 8,982 1,983 3.725,984 214.256,986 12,987 126.382,993 20.929,994 9.528,995 5.804,997 184.203,998 4.89,1003 1.431,1005 36.022,1006 475.641,1007 38,1010 -0.895,1013 56.629,1015 2.608,1017 -3.612,1020 43.127,1021 46.294,1022 0.355,1023 0.76,1024 0.911,1025 0.951,1026 0.951,1027 0.951,1028 4.894,1029 1.544,1030 5.7,1031 4.341,1032 4.344,1033 4.883,1034 3.453,1035 6.485,1036 4.24,1037 6.108,1038 1.112,1039 7.251,1040 3.947,1041 4.007,1042 4.832,1043 3.06,1044 7.376,1045 3.869,1046 7.421,1047 0.727,1048 8.9,1049 2.086,1050 5.911,1051 7.02,1052 4.872,1053 10.442,1054 5.728,1055 8.765,1056 0.552,1057 10.607,1058 1.636,1059 6.33,1060 7.721,1061 5.185,1062 12.168,1063 6.126,1064 10.138,1065 -0.027,1066 12.351,1067 1.138,1068 7.755,1069 9.448,1070 6.553,1071 14.776,1072 7.513,1073 11.53,1074 -0.143,1075 14.124,1076 -0.067,1077 8.536,1078 10.499,1079 7.173,1080 16.868,1081 8.276,1082 12.94,1083 -0.401,1084 15.919,1085 -0.328,1086 9.771,1087 12.049,1088 8.342,1089 19.313,1090 9.479,1091 3.123,1092 -0.584,1093 17.732,1094 -0.908,1095 10.731,1096 13.274,1097 9.111,1098 21.561,1099 10.418,1100 2.896,1101 10.728,1102 19.559,1103 -1.076,1104 11.89,1105 14.747,1106 10.18,1107 23.948,1108 11.548,1109 2.362,1110 9.174,1111 21.398,1112 4.125,1113 12.934,1114 16.058,1115 11.028,1116 26.26,1117 12.569,1118 2.253,1119 6.248,1120 23.246,1121 3.925,1122 14.065,1123 17.495,1124 12.044,1125 28.628,1126 13.674,1127 2.125,1128 6.123,1129 25.103,1130 3.003,1131 15.15,1132 18.85,1133 12.934,1134 30.968,1135 14.734,1136 2.002,1137 5.844,1138 26.966,1139 2.864,1140 16.273,1141 20.27,1142 13.921,1143 33.33,1144 15.83,1145 1.658,1146 5.737,1147 28.835,1148 2.776,1149 17.377,1150 21.648,1151 14.835,1152 35.683,1153 16.909,1154 8024,1155 17362,1156 17.512,1157 28.119,1158 41.667,1159 44.1,1160 42.976,1161 40.839,1162 40.709,1163 53.273,1164 18.287,1165 114.003,1166 38.414,1167 5.467,1168 5.935,1169 6.473,1170 5.171,1171 5.123,1172 7.125,1173 4.612,1174 17.624,1175 5.04,1176 17.945,1177 1.488,1178 1.575,1179 1.535,1180 1.459,1181 1.454,1182 1.903,1183 0.653,1184 4.072,1185 1.372,1186 3.998,1187 4.02,1188 6.88,1189 3.912,1190 7.816,1191 3.906,1192 3.88,1193 3.897,1194 3.959,1195 3.687,1196 7.448,1197 3.723,1198 3.621,1199 3.644,1200 3.79,1201 3.366,1202 7.432,1203 3.395,1204 3.475,1205 3.503,1206 3.523,1207 3.201,1208 7.411,1209 3.2,1210 3.341,1211 3.399,1212 3.456,1213 3.13,1214 6.999,1215 3.126,1216 3.325,1217 3.364,1218 3.212,1219 2.97,1220 4.855,1221 3.091,1222 2.96,1223 2.964,1224 3.127,1225 2.819,1226 4.483,1227 2.772,1228 2.891,1229 2.902,1230 2.941,1231 2.625,1232 4.433,1233 2.664,1234 0.162,1235 0.141,1236 0.239,1237 0.146,1238 0.112,1239 4.534,1240 0.147,1241 3.935,1242 0.093,1243 6.7,1244 0.383,1245 4.098,1246 0.109,1247 3.123,1248 4.125,1249 2.612,1250 10.728,1251 3.04,1252 1.924,1253 1.909,1254 1.986,1255 2.077,1256 1.125,1257 2.027,1258 1.758,1259 1.734,1260 1.816,1261 1.961,1262 0.943,1263 1.933,1264 1.522,1265 1.482,1266 1.801,1267 1.792,1268 0.873,1269 1.788,1270 1.302,1271 1.25,1272 1.545,1273 1.668,1274 0.701,1275 1.564,1276 1.286,1277 1.249,1278 1.445,1279 1.559,1280 0.442,1281 1.534,1282 1.139,1283 1.111,1284 1.193,1285 1.456,1286 0.141,1287 1.464,1288 0.835,1289 0.804,1290 1.062,1291 1.125,1292 0.111,1293 1.057,1294 0.739,1295 0.71,1296 1.002,1297 1.018,1299 1.018,1300 4.043,1302 5.342,1304 6.825,1306 8.406,1308 10.04,1309 3.286,1310 1.668,1315 -0.104,1317 4.001,1318 10.181,1326 28.254,1327 77.95,1328 166.889,1329 200.15,1330 208.905,1331 208.905,1332 208.905,1333 89.203,1334 6.853,1335 147.07,1336 147.07,1337 12,1338 12.271,1339 3.807,1340 3.459,1341 58.177,1342 103,1343 121,1344 0.274,1345 183.385,1346 339.79,1347 439.219,1348 8153,1349 2.4,1350 19.974,1351 0.74,1352 0.577,1353 20.974,1354 15.57,1355 12.812,1356 0.458,1357 0.299,1358 7.448,1359 11.388,1360 7.288,1361 6.019,1362 13.389,1363 8.378,1364 11.622,1365 0.306,1366 0.157,1367 12.439,1368 5.952,1369 8.572,1370 0.186,1371 0.08,1372 9.097,1373 3.674,1374 7.397,1375 0.128,1376 0.043,1377 7.867,1378 2.471,1379 5.037,1380 0.077,1381 0.024,1382 5.561,1383 1.53,1384 0.427,1385 91.506,1386 0.239,1387 25.888,1388 0.755,1389 132,1390 601.114,1391 222.16,1392 589.316,1393 748.59,1394 540,1395 150,1396 495.423,1397 200.538,1398 496.953,1399 718.86,1400 464,1401 4.805}
{0 CHEMBL1448080,1 1.542,2 7.857,3 1.867,4 3.485,5 76.149,6 7.926,7 0.261,8 3.695,9 3.785,10 3.311,11 3.253,12 4.866,13 3.25,14 4.255,15 4.39,16 3.7,17 3.67,18 5.425,19 3.644,20 4.526,21 4.699,22 3.821,23 3.802,24 5.728,25 3.774,26 4.584,27 4.76,28 3.757,29 3.692,30 6.012,31 3.685,32 4.366,33 4.526,34 3.543,35 3.542,36 5.731,37 3.518,38 4.241,39 4.423,40 3.368,41 3.459,42 5.448,43 3.399,44 4.205,45 4.407,46 3.273,47 3.305,48 5.68,49 3.225,50 3.955,51 4.184,52 2.856,53 3.029,54 5.034,55 2.931,56 0.056,57 0.482,58 6.332,59 3.458,60 9.29,61 4.026,62 0.352,63 0.81,64 13.192,65 5.887,66 33.912,67 7.214,68 0.281,69 1.031,70 18.633,71 7.576,72 47.186,73 9.453,74 0.635,75 1.013,76 21.904,77 7.239,78 108.841,79 8.466,80 0.516,81 0.806,82 17.098,83 6.093,84 70.575,85 6.94,86 0.278,87 0.724,88 14.822,89 5.982,90 47.132,91 7.343,92 0.596,93 0.679,94 15.322,95 5.49,96 101.046,97 7.232,98 0.225,99 0.518,100 12.233,101 4.524,102 34.428,103 5.897,104 19,105 33,106 0.281,107 0.614,108 0.766,109 0.806,110 0.806,111 0.806,112 3.105,113 0.893,114 -3.51,115 -3.48,116 -3.32,120 44.4,122 2,123 2,125 1,136 2,143 4,144 1,145 1,159 3,174 10,176 3,177 8,185 10,189 12,197 5,200 1,201 13,209 4,213 2,214 8,222 8,227 2,235 10,239 4,240 4,247 6,252 4,260 2,264 4,274 527,275 14.198,276 14.198,277 14.198,278 14.198,279 14.198,280 12.937,281 15.11,282 8.186,283 14.412,284 11.234,285 11.234,286 11.234,287 11.234,288 11.234,289 9.152,290 15.781,291 3.738,292 11.415,293 3.628,294 1.8,295 0.965,296 0.743,297 0.743,298 0.743,299 3.78,305 1,306 1,307 1,308 351,309 2.739,312 39.215,313 113.669,316 77.895,320 1.129,321 33.303,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.5,333 165,334 4.523,335 4.118,336 7.078,337 4.341,338 3.358,339 3.915,340 2.049,341 12.131,342 3.298,343 4.167,344 3.65,345 6.155,346 3.823,347 2.828,348 3.571,349 1.798,350 9,351 2.803,352 3.679,353 3.387,354 5.936,355 3.42,356 2.447,357 2.929,358 1.674,359 8.14,360 2.369,361 3.372,362 2.767,363 5.491,364 3.066,365 2.026,366 2.491,367 0.314,368 6.426,369 2.093,370 3.231,371 2.419,372 4.873,373 2.82,374 1.827,375 2.344,377 5.027,378 1.805,379 2.896,380 1.896,381 4.069,382 2.421,383 1.437,384 1.962,386 3.357,387 1.406,388 2.598,389 1.651,390 3.634,391 2.159,392 1.175,393 1.57,395 2.832,396 1.148,397 2.553,398 1.582,399 3.618,400 2.072,401 1.083,402 1.499,404 2.459,405 1.065,406 2.085,407 1.461,408 3.472,409 1.942,410 0.914,411 1,413 2.21,414 0.934,415 1.504,416 1.222,417 2.99,418 1.113,419 0.188,420 0.223,422 0.249,423 0.17,424 1.471,425 0.917,426 2.48,427 1,428 -0.059,429 -0.083,431 -0.15,432 -0.062,433 0.76,434 0.482,435 2.343,436 0.463,437 -0.585,438 -0.657,440 -1.379,441 -0.606,442 0.667,443 -0.154,444 2.216,445 0.294,446 -0.736,447 -1.035,449 -1.768,450 -0.749,451 0.582,452 -0.5,453 2,454 0.127,455 -0.884,456 -1.122,458 -2.127,459 -0.883,460 0.464,461 -0.689,462 1.7,463 0.101,464 -0.907,465 -1.305,467 -2.513,468 -0.926,469 9.733,470 0.463,471 0.542,472 0.026,473 25.5,474 1.214,475 12,476 0.571,477 13.5,478 0.643,479 15.854,480 0.755,481 22.667,482 0.63,483 19.201,484 0.914,485 5.077,486 0.242,487 5.053,488 0.241,489 0.154,491 0.401,496 0.617,497 1.268,498 0.685,499 1.108,500 0.503,501 0.95,502 0.591,503 1.059,504 0.796,505 0.967,506 0.54,507 0.944,508 0.835,509 1.182,510 0.856,511 1.117,512 0.871,513 1.007,514 1.419,515 0.996,516 1.104,517 0.92,518 1.429,519 0.922,520 1.416,521 0.862,522 1.19,523 0.923,524 1.621,525 0.986,526 0.988,527 1.083,528 1.016,529 1.121,530 1.049,531 1.091,532 0.532,533 0.944,534 0.94,535 1.04,536 0.569,537 1.077,538 0.909,539 1.023,540 0.979,541 1.104,542 0.795,543 1.074,544 3.5,545 0.02,546 2.889,547 2.611,548 1.129,549 0.705,550 0.466,551 0.293,552 0.108,553 0.049,554 3836,555 11847,556 2.045,557 41.7,558 4,559 9,563 2,567 1.637,568 1.881,569 2.99,570 -0.75,571 1,572 1,574 1,575 55.514,576 1.542,577 3.37,578 4.205,579 4.427,580 4.427,581 4.427,582 2.439,583 3.391,584 4.365,585 3.083,586 647.46,587 7.504,588 6625.69,589 1,590 1,592 1,593 186.117,594 1.51,595 4.305,596 0.152,597 0.01,598 0.088,599 0.073,600 0.035,601 0.027,602 0.021,603 0.016,604 0.009,605 0.008,606 0.439,607 0.67,608 1,609 1.083,610 92.672,611 -0.019,612 -0.152,613 0.049,614 -0.062,615 -0.011,616 -0.006,617 0.165,618 0.014,619 0.041,620 0.039,621 0.043,622 0.006,623 -0.041,624 -0.152,625 0.047,626 -0.137,627 -0.026,628 -0.04,629 -0.175,630 -0.001,631 -0.091,632 0.007,633 -0.062,634 -0.011,635 -0.188,636 0.127,637 -0.207,638 0.028,639 -0.231,640 -0.073,641 -0.095,642 -0.136,643 -0.071,644 -0.123,645 -0.1,646 -0.099,647 0.451,648 0.001,649 0.067,650 -0.076,651 0.379,652 -0.089,653 -0.032,654 -0.133,655 0.041,656 -0.118,657 -0.022,658 -0.039,659 2.157,660 5.456,661 0.714,662 13.519,663 1.017,664 1.118,665 2.276,666 5.18,667 0.671,668 3.178,669 3.526,670 3.871,671 4.159,672 4.357,673 4.407,674 4.543,675 4.595,676 4.543,677 4.466,678 4.765,679 0.655,680 285.32,681 3.178,682 4.727,683 5.609,684 6.512,685 7.414,686 8.326,687 9.236,688 10.152,689 11.066,690 11.985,691 2.8,698 1,709 4,714 2,716 6,726 1,738 36,739 10,740 1,741 23,743 38,744 16,745 6,746 2,747 4,748 1,752 3,753 4,763 2,764 2,766 2,768 11,769 5,770 2,772 4,778 3,780 2,782 3,785 1,786 1,789 15,790 5,792 5,797 1,800 1,803 0.667,804 4,822 1,823 2,826 1,845 2,855 2,859 1,862 21,869 2,872 1,874 2,875 1,886 11.1,889 3,891 1,893 11.167,894 6.783,895 4.694,896 2.157,898 1.683,899 1.246,900 0.952,901 3.541,902 8.538,903 3.434,904 3.942,905 4.457,906 4.953,907 5.395,908 5.555,909 5.917,910 6.064,911 6.173,912 6.261,913 1,914 36,915 7.855,917 3.509,918 8.095,919 14.563,921 12.265,924 2.595,925 54.5,929 176.567,930 95.353,931 3.124,933 86.435,936 95.353,937 263.001,938 3.124,939 10.883,940 8.193,941 56.857,942 92.035,943 16.942,945 176.567,947 176.567,948 98.477,949 86.435,952 176.567,953 86.435,956 8.193,957 71.331,958 18.952,960 176.567,961 89.559,962 95.353,965 176.567,966 27.612,967 70.865,969 86.435,970 176.567,971 89.559,972 95.353,973 0.584,974 0.37,975 0.203,976 0.106,977 17,978 8,979 0.079,980 3,981 1,982 1.133,983 3.203,984 167.972,985 0.133,986 15,987 82.239,993 13.872,994 5.36,995 2.247,997 89.559,998 6.413,1003 0.755,1006 361.478,1007 30,1013 36.487,1015 3.89,1017 -0.859,1020 36.596,1021 40.242,1022 0.298,1023 0.652,1024 0.813,1025 0.856,1026 0.856,1027 0.856,1028 4.696,1029 1.083,1030 5.617,1031 2.832,1032 4.205,1033 4.625,1034 2.946,1035 6.5,1036 4.18,1037 5.887,1038 0.914,1039 7.226,1040 2.459,1041 3.892,1042 4.407,1043 2.221,1044 7.561,1045 3.861,1046 7.195,1047 0.188,1048 8.941,1049 2.21,1050 5.861,1051 6.666,1052 3.973,1053 10.722,1054 5.805,1055 8.536,1056 -0.059,1057 10.717,1058 0.249,1059 6.399,1060 7.246,1061 3.794,1062 12.631,1063 6.327,1064 9.912,1065 -0.585,1066 12.531,1067 -0.15,1068 7.856,1069 9.004,1070 5.129,1071 15.33,1072 7.765,1073 11.311,1074 -0.736,1075 14.372,1076 -1.379,1077 8.77,1078 9.952,1079 5.252,1080 17.584,1081 8.66,1082 12.729,1083 -0.884,1084 16.232,1085 -1.768,1086 10.046,1087 11.505,1088 6.356,1089 20.136,1090 9.918,1091 3.358,1092 -0.907,1093 18.107,1094 -2.127,1095 11.123,1096 12.634,1097 6.671,1098 22.533,1099 10.975,1100 2.828,1101 12.131,1102 19.995,1103 -2.513,1104 12.338,1105 14.092,1106 7.634,1107 25.041,1108 12.173,1109 2.447,1110 9,1111 21.892,1112 3.915,1113 13.485,1114 15.316,1115 8.077,1116 27.495,1117 13.3,1118 2.026,1119 8.14,1120 23.798,1121 3.571,1122 14.684,1123 16.726,1124 8.951,1125 29.991,1126 14.481,1127 1.827,1128 6.426,1129 25.711,1130 2.929,1131 15.861,1132 18.002,1133 9.479,1134 32.468,1135 15.639,1136 1.437,1137 5.027,1138 27.629,1139 2.491,1140 17.058,1141 19.387,1142 10.297,1143 34.962,1144 16.819,1145 1.175,1146 3.357,1147 29.554,1148 2.344,1149 18.25,1150 20.694,1151 10.885,1152 37.45,1153 17.991,1154 3829,1155 6803,1156 15.027,1157 24.154,1158 35.463,1159 37.86,1160 37.24,1161 34.449,1162 34.563,1163 43.008,1164 11.672,1165 103.666,1166 34.183,1167 5.434,1168 6.118,1169 6.756,1170 5.361,1171 5.358,1172 6.915,1173 3.723,1174 19.653,1175 5.298,1176 10.884,1177 1.542,1178 1.646,1179 1.619,1180 1.498,1181 1.503,1182 1.87,1183 0.507,1184 4.507,1185 1.486,1186 4.036,1187 4.064,1188 3.986,1189 3.926,1190 7.445,1191 3.934,1192 3.859,1193 3.884,1194 3.791,1195 3.782,1196 7.432,1197 3.779,1198 3.466,1199 3.491,1200 3.395,1201 3.266,1202 7.408,1203 3.291,1204 3.351,1205 3.384,1206 3.253,1207 3.092,1208 4.717,1209 3.127,1210 3.133,1211 3.182,1212 3.026,1213 2.947,1214 4.468,1215 2.947,1216 2.978,1217 3.036,1218 2.777,1219 2.778,1220 4.434,1221 2.763,1222 2.843,1223 2.908,1224 2.709,1225 2.724,1226 3.81,1227 2.713,1228 2.71,1229 2.715,1230 2.561,1231 2.378,1232 3.583,1233 2.43,1234 0.197,1235 0.179,1236 0.308,1237 0.189,1238 0.146,1239 4.523,1240 0.17,1241 4.118,1242 0.089,1243 7.078,1244 0.527,1245 4.341,1246 0.143,1247 3.358,1248 3.915,1249 2.049,1250 12.131,1251 3.298,1252 1.907,1253 1.886,1254 2.039,1255 2.009,1256 1.38,1257 2.004,1258 1.866,1259 1.829,1260 2,1261 1.983,1262 1.101,1263 2.003,1264 1.371,1265 1.351,1266 1.597,1267 1.655,1268 0.759,1269 1.614,1270 1.25,1271 1.209,1272 1.499,1273 1.545,1274 0.582,1275 1.53,1276 1.164,1277 1.13,1278 1.365,1279 1.344,1280 0.547,1281 1.346,1282 0.97,1283 0.902,1284 1.221,1285 1.205,1286 0.316,1287 1.228,1288 0.936,1289 0.863,1290 1.184,1291 1.167,1292 0.227,1293 1.175,1294 0.686,1295 0.641,1296 0.928,1297 0.918,1299 0.929,1300 3.85,1302 5.187,1303 2.398,1304 6.739,1305 4.949,1306 8.383,1307 7.209,1308 10.074,1310 1.293,1315 1.199,1318 4.665,1320 -0.548,1321 1.203,1326 23.568,1327 55.514,1328 121.323,1329 151.362,1330 159.362,1331 159.362,1332 159.362,1333 48.786,1334 6.854,1335 63.68,1336 63.68,1337 17,1338 12.496,1339 3.459,1340 3,1341 32.003,1342 59,1343 64,1344 0.275,1345 144.355,1346 265.06,1347 343.987,1348 7375,1350 14.983,1351 0.713,1352 0.553,1353 14.983,1354 11.613,1355 10.13,1356 0.44,1357 0.298,1358 6.738,1359 9.695,1360 6.591,1361 5.432,1362 10.13,1363 6.844,1364 8.98,1365 0.272,1366 0.158,1367 8.98,1368 5.21,1369 8.188,1370 0.174,1371 0.086,1372 8.188,1373 4.033,1374 6.869,1375 0.109,1376 0.047,1377 6.869,1378 2.945,1379 5.35,1380 0.069,1381 0.026,1382 5.35,1383 2.016,1384 0.411,1385 64.129,1386 0.258,1387 20.263,1388 0.813,1389 112,1390 380.587,1391 124.712,1392 355.601,1393 470.04,1394 330,1395 136,1396 329.68,1397 148.799,1398 330.906,1399 488.79,1400 310,1401 4}
{0 CHEMBL1448319,1 2.101,2 7.294,3 3.151,4 9.926,5 63.77,6 12.504,7 0.667,8 3.354,9 3.437,10 3.322,11 2.874,12 4.755,13 2.918,14 3.743,15 3.839,16 3.767,17 3.188,18 5.281,19 3.22,20 3.941,21 4.065,22 4.094,23 3.166,24 5.434,25 3.234,26 3.76,27 3.887,28 3.605,29 3.023,30 5.316,31 3.008,32 3.628,33 3.77,34 3.654,35 2.998,36 5.043,37 2.956,38 3.558,39 3.701,40 3.484,41 3.028,42 4.886,43 2.929,44 3.5,45 3.662,46 3.135,47 2.714,48 5.015,49 2.665,50 3.3,51 3.546,52 2.971,53 2.122,54 4.748,55 2.144,56 0.21,57 0.423,58 1.004,59 1.88,60 23.197,61 1.354,62 0.335,63 0.613,64 2.051,65 3.103,66 26.632,67 2.726,68 0.571,69 0.666,70 9.206,71 3.836,72 50.074,73 2.398,74 0.543,75 0.514,76 10.02,77 3.647,78 54.31,79 3.096,80 0.461,81 0.429,82 5.308,83 2.895,84 41.307,85 2.151,86 0.272,87 0.444,88 24.451,89 3.876,90 24.175,91 3.381,92 0.331,93 0.432,94 12.541,95 2.814,96 35.076,97 2.215,98 0.344,99 0.339,100 9.871,101 2.397,102 42.067,103 2.233,104 17,105 25,106 0.424,107 0.74,108 0.791,109 0.841,110 0.841,111 0.841,112 2.908,113 0.885,114 -4.3,115 -4.24,116 -4,118 1,120 41.7,143 4,145 3,148 2,151 1,164 1,165 1,166 1,174 2,176 2,177 2,179 2,180 3,185 2,189 5,194 1,197 2,200 1,201 2,203 1,204 3,205 1,208 1,214 2,219 1,222 2,224 1,227 2,232 4,235 2,237 2,240 2,245 4,249 2,274 303,275 11.016,276 11.016,277 11.016,278 11.016,279 11.016,280 9.359,281 12.567,282 6.424,283 11.507,284 8.851,285 8.851,286 8.851,287 8.851,288 8.851,289 6.493,290 14.928,291 3.077,292 9.825,293 2.484,294 0.917,295 0.667,296 0.417,297 0.417,298 0.417,299 3.555,306 1,307 1,308 255,309 2,313 109.876,320 1.135,321 25.757,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38.75,333 124,334 4.387,335 3.406,336 6.383,337 3.9,338 3.019,339 4.075,340 0.86,341 9.647,342 2.624,343 4,344 2.961,345 5.459,346 3.542,347 2.596,348 3.606,350 7.24,351 2.437,352 3.487,353 2.703,354 5.043,355 3.059,356 2.159,357 2.799,359 5.96,360 1.925,361 3.418,362 2.334,363 4.971,364 2.951,365 2.071,366 2.718,368 5.729,369 1.782,370 3.171,371 2.106,372 4.793,373 2.698,374 1.791,375 2.415,377 5.21,378 1.612,379 2.5,380 1.439,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 1.736,389 1,390 3.267,391 1.3,392 0.569,393 0.635,395 1.374,396 0.341,397 1.353,398 0.652,399 2.729,400 0.922,401 0.084,402 0.101,404 0.195,405 0.064,406 0.978,407 0.03,408 2.517,409 0.513,410 -0.367,411 -0.468,413 -0.945,414 -0.317,415 0.579,416 -0.196,417 2,418 0.259,419 -0.61,420 -0.696,422 -1.418,423 -0.525,424 0.5,425 -0.501,426 1.823,428 -1,429 -1.175,431 -2.558,432 -0.675,433 0.2,434 -0.768,435 1.538,436 -0.187,437 -1,438 -1.5,440 -3,441 -1,442 -0.116,443 -1,444 1.386,445 -0.536,446 -1.342,447 -1.584,449 -3.288,450 -1.016,451 -0.175,452 -1.266,453 1.224,454 -0.594,455 -1.466,456 -1.98,458 -4.067,459 -1.33,460 -0.258,461 -1.412,462 1.062,463 -0.795,464 -1.58,465 -2.123,467 -4.444,468 -1.378,469 8.486,470 0.499,471 0.527,472 0.031,473 24.75,474 1.456,475 13.5,476 0.794,477 11.25,478 0.662,479 10.681,480 0.628,481 17.914,482 0.746,483 14.983,484 0.881,485 4.878,486 0.287,487 3.18,488 0.187,489 0.277,491 0.354,494 1,496 0.914,497 0.999,498 0.479,499 0.665,500 0.88,501 0.645,502 0.684,503 0.93,504 0.601,505 0.819,506 0.578,507 0.825,508 1.281,509 1.147,510 0.947,511 1.146,512 1.124,513 0.92,514 0.968,515 0.908,516 1.014,517 0.932,518 0.912,519 1.065,520 0.91,521 0.614,522 1.014,523 0.681,524 0.757,525 0.815,526 0.714,527 0.986,528 2.311,529 1.676,530 0.595,531 1.441,532 1.058,533 1.076,534 1.396,535 1.347,536 1.186,537 1.468,538 1.172,539 1.344,540 0.491,541 0.987,542 1.56,543 1.024,544 4.5,546 2,547 1.25,548 1.067,549 0.403,550 0.344,551 0.201,552 0.127,553 0.016,554 2194,555 10332,556 1.96,557 29.2,559 4,562 3,567 1.569,568 1.789,569 2.886,570 1.366,574 1,575 50.413,576 2.101,577 3.668,578 3.918,579 4.168,580 4.168,581 4.168,582 2.278,583 3.572,584 4.062,585 2.991,586 406.72,587 6.865,588 3666.14,590 1,592 1,593 110.039,594 1.549,595 3.989,596 0.25,598 0.08,599 0.052,600 0.059,601 0.025,602 0.023,603 0.018,604 0.021,605 0.005,606 0.534,607 0.33,608 1,609 0.732,610 70.087,611 -0.217,612 -0.073,613 -0.017,614 0.057,615 -0.239,616 0.083,617 0.101,618 0.019,619 0.016,620 -0.028,621 0.09,622 -0.043,623 -0.214,624 -0.16,625 0.064,626 -0.186,627 -0.187,628 -0.037,629 0.101,630 0.018,631 -0.083,632 0.031,633 0.042,634 -0.129,635 -0.072,636 0.15,637 0.011,638 0.291,639 -0.069,640 0.146,641 -0.112,642 -0.219,643 -0.392,644 -0.363,645 -0.002,646 -0.318,647 -0.186,648 -0.179,649 -0.25,650 -0.343,651 -0.177,652 -0.491,653 -0.039,654 -0.376,655 0.199,656 -0.091,657 -0.179,658 0.163,659 2.04,660 4.683,661 0.706,662 9.813,663 1.056,664 1.139,665 3.069,666 9.418,667 0.729,668 2.944,669 3.258,670 3.434,671 3.611,672 3.807,673 3.689,674 3.555,675 3.638,676 3.611,677 3.296,678 4.479,679 0.728,680 300.1,681 2.944,682 4.466,683 5.283,684 6.142,685 6.978,686 7.838,687 8.681,688 9.541,689 10.387,690 11.248,691 12.5,695 1,701 2,709 4,710 2,714 6,716 12,728 1,734 1,735 1,737 2,738 24,739 12,740 1,741 18,742 1,743 25,744 10,745 10,746 2,747 4,752 2,753 2,768 10,786 1,787 1,789 7,790 6,791 3,792 7,793 1,797 3,803 1,804 2,817 1,823 2,855 2,858 1,861 1,862 17,863 1,868 1,872 1,885 2,886 8.3,888 1,891 1,893 9.5,894 4.219,895 3.722,896 1.169,898 2.249,899 1.379,900 0.946,901 3.449,902 8.187,903 3.219,904 3.85,905 4.35,906 4.856,907 5.375,908 5.372,909 5.433,910 5.866,911 6.188,912 6.306,913 0.8,914 24,915 6.203,917 2.626,918 8.338,919 11.03,921 8.452,924 2.838,925 48.25,929 47.084,930 62.038,931 112.422,933 53.683,934 14.96,936 107.992,937 100.768,938 81.428,941 70.802,942 76.254,943 28.419,944 21.674,945 47.084,946 45.954,947 47.084,948 128.506,949 68.643,951 45.954,952 62.045,953 53.683,956 1.899,957 93.036,958 33.571,959 45.954,960 62.045,961 120.151,962 107.992,965 47.084,966 24.133,967 37.905,968 45.954,969 135.112,970 47.084,971 135.112,972 107.992,973 0.589,974 0.33,975 0.163,976 0.093,977 12,978 6,979 0.08,980 2,982 1,983 2.886,984 113.369,986 12,987 65.487,993 12.078,994 4.855,995 2.838,997 135.112,998 5.343,999 7.32,1003 -0.221,1005 75.581,1006 290.188,1007 24,1020 25.353,1021 27.341,1022 0.458,1023 0.8,1024 0.855,1025 0.909,1026 0.909,1027 0.909,1028 4.431,1029 0.084,1030 5.283,1031 1.374,1032 3.932,1033 4.533,1034 0.908,1035 6.047,1036 3.72,1037 5.661,1038 -0.367,1039 6.825,1040 0.195,1041 3.611,1042 4.407,1044 6.836,1045 3.211,1046 6.971,1047 -0.61,1048 8.46,1049 -0.945,1050 5.493,1051 6.735,1052 0.739,1053 9.881,1054 5.078,1055 8.312,1056 -1,1057 10.144,1058 -1.418,1059 5.889,1060 7.311,1062 11.423,1063 5.237,1064 9.675,1065 -1,1066 11.859,1067 -2.558,1068 7.307,1069 9.177,1070 0.593,1071 14.023,1072 6.662,1073 11.055,1074 -1.342,1075 13.597,1076 -3,1077 8.047,1078 10.104,1080 15.927,1081 7.161,1082 12.449,1083 -1.466,1084 15.352,1085 -3.288,1086 9.274,1087 11.754,1088 0.469,1089 18.349,1090 8.372,1091 3.019,1092 -1.58,1093 17.123,1094 -4.067,1095 10.19,1096 12.878,1098 20.436,1099 9.061,1100 2.596,1101 9.647,1102 18.906,1103 -4.444,1104 11.335,1105 14.414,1106 0.366,1107 22.777,1108 10.158,1109 2.159,1110 7.24,1111 20.699,1112 4.075,1113 12.341,1114 15.652,1116 24.954,1117 10.957,1118 2.071,1119 5.96,1120 22.502,1121 3.606,1122 13.453,1123 17.124,1124 0.283,1125 27.257,1126 11.989,1127 1.791,1128 5.729,1129 24.313,1130 2.799,1131 14.504,1132 18.429,1134 29.478,1135 12.851,1136 1,1137 5.21,1138 26.131,1139 2.718,1140 15.604,1141 19.866,1142 0.217,1143 31.763,1144 13.848,1145 0.569,1146 2.275,1147 27.955,1148 2.415,1149 16.678,1150 21.21,1152 34.007,1153 14.748,1154 2268,1155 5022,1156 11.444,1157 17.5,1158 26.769,1159 27.899,1160 27.772,1161 26.61,1162 26.578,1163 35.699,1164 1.72,1165 75.261,1166 23.571,1167 5.147,1168 5.406,1169 5.797,1170 4.983,1171 5.019,1172 7.075,1173 1.72,1174 16.566,1175 4.624,1176 9.539,1177 1.487,1178 1.55,1179 1.543,1180 1.478,1181 1.477,1182 1.983,1183 0.096,1184 4.181,1185 1.31,1186 3.933,1187 3.955,1188 6.88,1189 3.826,1190 8.201,1191 3.834,1192 3.793,1193 3.83,1194 3.868,1195 3.662,1196 6.475,1197 3.67,1198 3.087,1199 3.164,1200 3.693,1201 2.859,1202 5.204,1203 2.861,1204 2.995,1205 3.011,1206 3.005,1207 2.751,1208 4.823,1209 2.781,1210 2.854,1211 2.925,1212 2.843,1213 2.735,1214 4.484,1215 2.715,1216 2.695,1217 2.737,1218 2.687,1219 2.39,1220 4.036,1221 2.45,1222 2.253,1223 2.36,1224 2.605,1225 2.027,1226 3.674,1227 1.931,1228 2.084,1229 2.131,1230 1.96,1231 1.61,1232 3.62,1233 1.63,1234 0.244,1235 0.189,1236 0.355,1237 0.217,1238 0.168,1239 4.387,1240 0.226,1241 3.406,1242 0.048,1243 6.383,1244 0.536,1245 3.9,1246 0.146,1247 3.019,1248 4.075,1249 0.86,1250 9.647,1251 2.624,1252 1.869,1253 1.849,1254 1.965,1255 1.995,1256 1.025,1257 1.98,1258 1.687,1259 1.659,1260 1.679,1261 1.882,1262 0.697,1263 1.846,1264 0.96,1265 0.889,1266 1.181,1267 1.304,1268 0.218,1269 1.285,1270 0.886,1271 0.821,1272 1.174,1273 1.146,1274 0.022,1275 1.107,1276 0.832,1277 0.808,1278 0.972,1279 1.062,1281 1.072,1282 0.52,1283 0.486,1284 0.723,1285 0.881,1287 0.841,1288 0.129,1289 0.006,1290 0.381,1291 0.489,1293 0.459,1296 0.315,1297 0.273,1299 0.286,1300 3.611,1302 4.92,1304 6.418,1306 8.004,1308 9.633,1309 3.057,1312 12.683,1313 5.363,1314 9.385,1318 5.321,1326 17.483,1327 50.413,1328 88.039,1329 94.039,1330 100.039,1331 100.039,1332 100.039,1333 28.998,1334 5.938,1335 81.26,1336 81.26,1337 12,1338 11.801,1339 3.7,1340 2.807,1341 28.43,1342 45,1343 46,1344 0.319,1345 115.83,1346 195.13,1347 274.385,1348 2286,1349 8.3,1350 12.414,1351 0.73,1352 0.587,1353 12.544,1354 9.979,1355 8.059,1356 0.448,1357 0.295,1358 4.455,1359 7.1,1360 4.366,1361 3.599,1362 8.242,1363 5.307,1364 7.535,1365 0.301,1366 0.155,1367 7.579,1368 3.874,1369 5.892,1370 0.196,1371 0.085,1372 6.522,1373 2.543,1374 4.445,1375 0.123,1376 0.038,1377 4.712,1378 1.371,1379 3.568,1380 0.081,1381 0.022,1382 3.934,1383 0.962,1384 0.485,1385 60.088,1386 0.296,1387 17.033,1388 0.913,1389 86,1390 387.253,1391 167.535,1392 380.616,1393 491.4,1394 350,1395 98,1396 329.849,1397 157.093,1398 335.231,1399 489.59,1400 314,1401 4.451}
{0 CHEMBL1448374,1 1.542,2 7.85,3 2.595,4 6.731,5 79.827,6 7.454,7 0.727,8 3.696,9 3.824,10 3.272,11 3.207,12 4.849,13 3.202,14 4.187,15 4.371,16 3.638,17 3.573,18 5.261,19 3.558,20 4.296,21 4.457,22 3.736,23 3.716,24 5.377,25 3.696,26 4.479,27 4.67,28 3.677,29 3.813,30 5.533,31 3.732,32 4.584,33 4.85,34 3.452,35 3.765,36 5.514,37 3.631,38 4.418,39 4.686,40 3.179,41 3.549,42 5.321,43 3.389,44 4.199,45 4.506,46 2.937,47 3.16,48 5.079,49 3.018,50 3.771,51 4.035,52 2.602,53 2.759,54 4.704,55 2.66,56 0.022,57 0.558,58 7.358,59 2.939,60 8.365,61 3.967,62 0.191,63 0.852,64 13.691,65 4.916,66 18.267,67 6.688,68 0.116,69 0.989,70 14.447,71 5.1,72 11.024,73 7.065,74 0.192,75 1.135,76 17.963,77 6.76,78 19.588,79 9.444,80 0.291,81 1.136,82 22.35,83 7.288,84 32.751,85 10.991,86 0.142,87 0.918,88 18.948,89 6.714,90 26.84,91 9.941,92 0.212,93 0.665,94 16.556,95 5.065,96 25.926,97 7.73,98 0.14,99 0.425,100 10.484,101 3.145,102 16.479,103 4.455,104 18,105 32,106 0.279,107 0.664,108 0.764,109 0.814,110 0.814,111 0.814,112 3.06,113 0.867,114 -4.34,115 -4.27,116 -4.03,120 41.7,121 2,125 1,143 4,144 2,145 2,148 1,149 1,153 1,162 1,164 1,165 1,166 1,174 4,176 2,177 9,179 1,180 1,182 1,185 4,187 1,189 7,194 1,197 4,199 1,200 1,201 5,203 2,204 2,206 1,209 6,211 1,213 1,214 3,219 1,222 8,224 1,227 2,232 2,235 2,237 2,239 1,240 5,245 2,249 2,252 1,263 1,266 1,267 1,274 470,275 13.491,276 13.491,277 13.491,278 13.491,279 13.491,280 11.503,281 15.251,282 7.679,283 13.922,284 10.73,285 10.73,286 10.73,287 10.73,288 10.73,289 7.762,290 14.955,291 3.498,292 11.342,293 3.628,294 1.504,295 0.952,296 0.674,297 0.674,298 0.674,299 3.733,305 1,306 1,307 1,308 335,309 2.236,312 37.839,313 102.017,316 72.746,320 1.18,321 12.635,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 43,333 157,334 4.819,335 3.505,336 7.162,337 4.354,338 3.397,339 4.804,340 0.86,341 12.474,342 3.254,343 4.099,344 2.886,345 6.235,346 3.667,347 2.705,348 3.719,350 9.06,351 2.602,352 3.779,353 2.676,354 5.599,355 3.349,356 2.411,357 3.247,359 6.964,360 2.259,361 3.536,362 2.39,363 5.348,364 3.126,365 2.168,366 2.917,368 6.674,369 2.069,370 3.231,371 1.91,372 5.004,373 2.748,374 1.813,375 2.517,377 5.476,378 1.689,379 2.861,380 1.592,381 4.499,382 2.364,383 1.421,384 2.019,386 3.918,387 1.336,388 2.5,389 1.251,390 3.71,391 2.034,392 1.106,393 1.5,395 2.617,396 1.024,397 2.493,398 1.059,399 3.414,400 2,401 1,402 1.491,404 2.275,405 1,406 1.683,407 1,408 3.059,409 1.409,410 0.533,411 0.592,413 0.868,414 0.461,415 1.254,416 0.418,417 2.69,418 0.97,419 0.023,420 0.026,422 0.049,423 0.022,424 0.977,425 -0.04,426 2.546,427 0.657,428 -0.276,429 -0.333,431 -0.638,432 -0.257,433 0.841,434 -0.286,435 2.346,436 0.394,437 -0.535,438 -0.704,440 -1.143,441 -0.493,442 0.544,443 -0.637,444 2.098,445 0.089,446 -0.849,447 -1.115,449 -2.128,450 -0.787,451 0.5,452 -1,453 2,455 -1,456 -1.5,458 -3,459 -1,460 -0.058,461 -1,462 1.736,463 -0.366,464 -1.345,465 -1.606,467 -3.451,468 -1.25,469 9.433,470 0.472,471 0.542,472 0.027,473 28.5,474 1.425,475 15,476 0.75,477 13.5,478 0.675,479 13.94,480 0.697,481 21.167,482 0.588,483 18.851,484 0.943,485 5.775,486 0.289,487 3.855,488 0.193,489 0.201,491 0.413,496 0.981,497 1.384,498 0.791,499 1.097,500 1.117,501 0.939,502 1.069,503 0.887,504 0.685,505 0.733,506 0.719,507 0.677,508 1.218,509 1.281,510 0.947,511 1.007,512 0.852,513 0.943,514 0.862,515 1.218,516 1.168,517 1.268,518 0.849,519 1.266,520 0.788,521 0.868,522 1.104,523 0.952,524 1.089,525 1.037,526 0.701,527 1.096,528 1.087,529 1.214,530 1.026,531 1.205,532 0.848,533 0.813,534 0.811,535 0.859,536 0.854,537 0.83,538 1.71,539 0.921,540 1.059,541 0.955,542 1.416,543 0.936,544 3.5,545 0.012,546 2.667,547 2.549,548 1.486,549 0.719,550 0.368,551 0.258,552 0.138,553 0.046,554 3329,555 8864,556 2.048,557 44.4,558 3,559 7,561 1,562 2,563 3,567 1.622,568 1.875,569 2.924,570 0.361,572 1,574 1,575 55.514,576 1.542,577 3.666,578 4.218,579 4.496,580 4.496,581 4.496,582 2.466,583 4.022,584 4.29,585 3.038,586 577.289,587 7.355,588 5626.9,589 1,590 1,592 1,593 186.117,594 1.522,595 4.231,596 0.159,597 0.006,598 0.083,599 0.073,600 0.048,601 0.03,602 0.022,603 0.02,604 0.015,605 0.009,606 0.465,607 0.5,608 1,609 0.897,610 86.314,611 -0.072,612 -0.206,613 0.055,614 -0.076,615 -0.191,616 -0.002,617 0.072,618 0.191,619 0.251,620 0.255,621 0.151,622 0.267,623 -0.193,624 -0.136,625 -0.058,626 -0.027,627 -0.05,628 -0.023,629 -0.033,630 -0.134,631 -0.276,632 -0.281,633 -0.018,634 -0.317,635 -0.069,636 0.112,637 -0.141,638 0.007,639 -0.158,640 -0.057,641 -0.019,642 -0.186,643 -0.123,644 -0.221,645 -0.106,646 -0.19,647 0.156,648 0.016,649 0.248,650 0.092,651 0.197,652 0.177,653 -0.176,654 -0.082,655 0.015,656 -0.01,657 -0.1,658 0.025,659 1.15,660 1.979,661 0.75,662 12.8,663 1.001,664 1.13,665 3.107,666 9.651,667 0.668,668 3.135,669 3.497,670 3.85,671 4.159,672 4.382,673 4.443,674 4.533,675 4.595,676 4.511,677 4.382,678 4.583,679 0.638,680 268.35,681 3.135,682 4.691,683 5.58,684 6.491,685 7.401,686 8.321,687 9.24,688 10.165,689 11.088,690 12.016,691 11.1,695 1,699 1,701 2,708 2,709 5,710 2,714 5,715 1,716 16,728 1,735 1,738 36,739 16,740 1,741 22,743 38,744 15,745 12,746 2,747 4,752 3,753 4,759 2,768 12,769 3,785 1,786 1,789 16,790 4,791 2,792 5,797 4,803 0.667,804 1,817 1,818 1,822 1,823 2,826 1,855 2,859 3,862 20,863 1,872 1,886 2.8,891 1,893 10.667,894 7.517,895 4.444,896 1.981,898 3.179,899 1.469,900 1.004,901 3.106,902 9.954,903 3.434,904 4.139,905 4.847,906 5.531,907 6.105,908 6.464,909 6.909,910 7.335,911 7.543,912 7.756,913 1,914 35,915 7.316,917 3.036,918 7.658,919 13.975,921 11.22,924 2.158,925 43.167,926 0.001,929 164.795,930 95.616,931 68.367,933 11,936 95.616,937 175.795,938 68.367,939 28.533,941 70.802,942 47.057,943 35.276,944 5.085,945 153.024,947 164.795,948 163.983,949 11,952 164.795,953 11,956 29.883,957 100.529,958 33.571,960 164.795,961 79.367,962 95.616,965 164.795,966 20.559,967 76.956,969 77.468,970 164.795,971 79.367,972 95.616,973 0.589,974 0.372,975 0.207,976 0.112,977 17,978 8,979 0.053,980 2,981 1,982 1.133,983 3.107,984 158.592,985 0.133,986 15,987 82.439,993 12.943,994 4.799,995 1.965,996 1.749,997 77.468,998 9.365,999 8.46,1003 4.586,1004 2.085,1005 32.897,1006 339.778,1007 30,1020 36.036,1021 40.694,1022 0.298,1023 0.709,1024 0.816,1025 0.87,1026 0.87,1027 0.87,1028 4.673,1029 1,1030 5.595,1031 2.617,1032 4.174,1033 4.824,1034 0.908,1035 6.491,1036 4.075,1037 5.93,1038 0.533,1039 7.212,1040 2.275,1041 3.892,1042 4.808,1044 7.582,1045 3.754,1046 7.279,1047 0.023,1048 8.932,1049 0.868,1050 5.844,1051 7.186,1052 0.739,1053 10.754,1054 5.656,1055 8.672,1056 -0.276,1057 10.714,1058 0.049,1059 6.399,1060 8.024,1062 12.707,1063 6.172,1064 10.1,1065 -0.535,1066 12.535,1067 -0.638,1068 7.85,1069 9.888,1070 0.593,1071 15.43,1072 7.582,1073 11.554,1074 -0.849,1075 14.384,1076 -1.143,1077 8.781,1078 11.126,1080 17.733,1081 8.471,1082 13.03,1083 -1,1084 16.255,1085 -2.128,1086 10.062,1087 12.797,1088 0.469,1089 20.316,1090 9.712,1091 3.397,1092 -1.345,1093 18.143,1094 -3,1095 11.157,1096 14.22,1098 22.755,1099 10.765,1100 2.705,1101 12.474,1102 20.044,1103 -3.451,1104 12.384,1105 15.82,1106 0.366,1107 25.294,1108 11.952,1109 2.411,1110 9.06,1111 21.957,1112 4.804,1113 13.549,1114 17.325,1116 27.784,1117 13.074,1118 2.168,1119 6.964,1120 23.879,1121 3.719,1122 14.764,1123 18.9,1124 0.283,1125 30.311,1126 14.247,1127 1.813,1128 6.674,1129 25.809,1130 3.247,1131 15.959,1132 20.441,1134 32.821,1135 15.399,1136 1.421,1137 5.476,1138 27.745,1139 2.917,1140 17.173,1141 22.009,1142 0.217,1143 35.344,1144 16.571,1145 1.106,1146 3.918,1147 29.686,1148 2.517,1149 18.382,1150 23.565,1152 37.862,1153 17.737,1154 3334,1155 5533,1156 14.334,1157 24.046,1158 33.456,1159 33.847,1160 35.695,1161 33.135,1162 33.155,1163 45.668,1164 1.72,1165 100.75,1166 31.43,1167 5.492,1168 5.505,1169 6.712,1170 5.427,1171 5.397,1172 7.804,1173 1.72,1174 19.999,1175 5.254,1176 10.541,1177 1.521,1178 1.539,1179 1.623,1180 1.506,1181 1.507,1182 2.076,1183 0.078,1184 4.58,1185 1.429,1186 4.155,1187 4.195,1188 4.134,1189 4.034,1190 5.233,1191 4.054,1192 3.838,1193 3.863,1194 3.783,1195 3.755,1196 4.895,1197 3.758,1198 3.451,1199 3.525,1200 3.365,1201 3.247,1202 4.759,1203 3.265,1204 3.257,1205 3.325,1206 3.099,1207 3,1208 4.449,1209 3.013,1210 3.112,1211 3.215,1212 2.919,1213 2.883,1214 4.275,1215 2.865,1216 2.986,1217 3.111,1218 2.741,1219 2.735,1220 3.813,1221 2.715,1222 2.854,1223 2.952,1224 2.687,1225 2.703,1226 3.703,1227 2.704,1228 2.849,1229 2.925,1230 2.651,1231 2.599,1232 3.674,1233 2.606,1234 0.219,1235 0.159,1236 0.326,1237 0.198,1238 0.154,1239 4.819,1240 0.218,1241 3.505,1242 0.039,1243 7.162,1244 0.567,1245 4.354,1246 0.148,1247 3.397,1248 4.804,1249 0.86,1250 12.474,1251 3.254,1252 1.921,1253 1.892,1254 2.01,1255 2.059,1256 1.12,1257 2.04,1258 1.816,1259 1.784,1260 1.909,1261 1.952,1262 1.055,1263 1.94,1264 1.58,1265 1.529,1266 1.747,1267 1.762,1268 0.812,1269 1.766,1270 1.194,1271 1.119,1272 1.564,1273 1.502,1274 0.572,1275 1.523,1276 1.121,1277 1.018,1278 1.517,1279 1.395,1280 0.543,1281 1.442,1282 0.92,1283 0.821,1284 1.203,1285 1.285,1286 0.218,1287 1.278,1288 0.886,1289 0.819,1290 1.181,1291 1.083,1292 0.196,1293 1.107,1294 0.806,1295 0.71,1296 1.052,1297 1.062,1298 0.017,1299 1.084,1300 3.807,1302 5.153,1303 2.398,1304 6.715,1305 4.949,1306 8.372,1307 7.222,1308 10.079,1310 5.751,1313 5.979,1318 5.192,1326 22.961,1327 55.514,1328 131.978,1329 151.853,1330 161.853,1331 161.853,1332 161.853,1333 22.653,1334 6.775,1335 65.96,1336 65.96,1337 17,1338 12.52,1339 4.087,1340 3.17,1341 29.813,1342 53,1343 68,1344 0.285,1345 143.157,1346 232.59,1347 341.063,1348 6485,1350 14.276,1351 0.714,1352 0.586,1353 14.276,1354 11.714,1355 9.63,1356 0.438,1357 0.289,1358 6.251,1359 9.212,1360 5.98,1361 5.031,1362 9.63,1363 6.357,1364 8.634,1365 0.27,1366 0.147,1367 8.634,1368 4.701,1369 7.899,1370 0.172,1371 0.079,1372 7.899,1373 3.652,1374 6.691,1375 0.106,1376 0.039,1377 6.691,1378 2.473,1379 5.322,1380 0.067,1381 0.02,1382 5.322,1383 1.609,1384 0.424,1385 60.594,1386 0.264,1387 19.358,1388 0.853,1389 108,1390 303.983,1391 118.594,1392 296.99,1393 419.77,1394 280,1395 132,1396 324.545,1397 142.984,1398 331.501,1399 486.56,1400 310,1401 4.422}
{0 CHEMBL1448474,1 1.676,2 11,3 3.807,4 14.49,5 98.755,6 8.985,7 0.63,8 3.773,9 3.862,10 3.483,11 3.413,12 5.048,13 3.396,14 4.205,15 4.306,16 3.865,17 3.772,18 5.603,19 3.737,20 4.473,21 4.627,22 3.884,23 3.904,24 5.733,25 3.831,26 4.498,27 4.675,28 3.875,29 3.793,30 5.831,31 3.713,32 4.363,33 4.552,34 3.758,35 3.666,36 5.672,37 3.565,38 4.205,39 4.376,40 3.659,41 3.538,42 5.55,43 3.444,44 4.083,45 4.236,46 3.653,47 3.429,48 5.585,49 3.365,50 3.965,51 4.113,52 3.387,53 3.391,54 5.266,55 3.304,56 0.082,57 0.501,58 5.335,59 3.145,60 11.222,61 3.333,62 0.236,63 0.795,64 9.291,65 5.018,66 34.694,67 5.867,68 0.215,69 1.036,70 16.798,71 7.685,72 30.389,73 8.419,74 0.374,75 1.058,76 19.025,77 7.93,78 61.722,79 8.433,80 0.368,81 0.964,82 19.452,83 7.427,84 50.056,85 7.825,86 0.29,87 0.834,88 17.824,89 6.508,90 47.167,91 6.069,92 0.348,93 0.723,94 15.864,95 5.598,96 57.889,97 5.109,98 0.196,99 0.616,100 11.969,101 4.923,102 34.722,103 4.823,104 18,105 37,106 0.293,107 0.539,108 0.685,109 0.855,110 0.898,111 0.916,112 3.266,113 0.876,114 -4.58,115 -4.5,116 -4.24,120 48.7,143 11,144 4,145 1,159 2,160 1,168 1,172 1,174 15,175 1,177 2,180 2,181 1,182 4,185 18,186 2,189 4,194 6,197 14,198 1,201 3,204 1,206 7,207 1,209 6,210 1,214 3,217 1,218 1,219 7,222 2,227 4,232 5,233 1,235 2,240 3,243 1,244 1,245 3,247 6,252 1,253 1,257 2,260 9,261 1,263 1,264 1,267 1,269 2,271 10,272 2,274 892,275 16.654,276 16.654,277 16.654,278 16.654,279 16.654,280 14.273,281 11.97,282 9.882,283 16.84,284 13.333,285 13.333,286 13.333,287 13.333,288 13.333,289 9.685,290 14.002,291 4.7,292 13.635,293 3.609,294 2.208,295 1.373,296 0.398,297 0.154,298 0.051,299 3.947,305 1,306 1,307 1,308 587,309 3.674,313 231.022,317 120.319,320 1.68,321 28.333,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 54,333 275,334 4.437,335 3.842,336 6.254,337 3.983,338 2.983,339 4.352,340 1.773,341 9.434,342 2.982,343 4.205,344 3.578,345 5.983,346 3.821,347 2.833,348 3.798,349 1.437,350 8.517,351 2.798,352 4.006,353 3.47,354 5.919,355 3.628,356 2.642,357 3.432,358 0.99,359 8.244,360 2.611,361 3.721,362 2.86,363 5.392,364 3.341,365 2.384,366 3.016,367 0.14,368 6.973,369 2.266,370 3.397,371 2.58,372 4.817,373 2.897,374 1.97,375 2.63,377 5.417,378 1.8,379 3.118,380 1.911,381 4.432,382 2.618,383 1.618,384 2.427,386 4.394,387 1.618,388 2.988,389 1.816,390 4.003,391 2.481,392 1.481,393 2.182,395 3.386,396 1.472,397 2.809,398 1.618,399 3.739,400 2.321,401 1.329,402 1.899,404 2.99,405 1.31,406 2.704,407 1.379,408 3.597,409 2.155,410 1.154,411 1.7,413 2.789,414 1.138,415 2.53,416 1.187,417 3.436,418 2.005,419 1,420 1.475,422 2.323,423 0.994,424 2.147,425 0.93,426 3.158,427 1.646,428 0.646,429 0.962,431 1.517,432 0.645,433 1.189,434 0.68,435 2.822,436 0.853,437 -0.099,438 -0.118,440 -0.267,441 -0.093,442 1.032,443 0.439,444 2.387,445 0.553,446 -0.424,447 -0.585,449 -1.036,450 -0.394,451 1,452 0.386,453 2.168,454 0.382,455 -0.597,456 -0.887,458 -1.36,459 -0.572,460 0.882,461 -0.284,462 2,463 0.38,464 -0.618,465 -0.927,467 -1.6,468 -0.618,469 12.133,470 0.485,471 0.647,472 0.026,473 35.75,474 1.43,475 20.5,476 0.82,477 15.25,478 0.61,479 15.727,480 0.629,481 25.067,482 0.643,483 27.121,484 1.085,485 7.465,486 0.299,487 4.56,488 0.182,489 0.151,491 0.33,496 0.789,497 0.907,498 0.609,499 0.689,500 0.683,501 0.719,502 0.378,503 1.103,504 0.659,505 0.978,506 0.427,507 0.992,508 0.832,509 1.128,510 1.01,511 1.083,512 0.777,513 1.09,514 1.1,515 1.099,516 0.931,517 0.989,518 1.087,519 1.034,520 1.013,521 1.025,522 1.147,523 1.014,524 1.038,525 0.955,526 1.379,527 1.082,528 1.433,529 1.123,530 1.31,531 0.944,532 1.208,533 0.964,534 1.268,535 1.147,536 1.279,537 0.9,538 1.2,539 0.951,540 1.301,541 1.077,542 1.238,543 1.024,544 5.5,545 0.078,546 2.667,547 1.563,548 1.378,549 0.757,550 0.509,551 0.271,552 0.198,553 0.164,554 7543,555 24846,556 2.038,557 35.9,559 11,562 3,567 1.676,568 1.899,569 3.457,570 0.966,572 1,575 65.362,576 1.676,577 3.078,578 3.912,579 4.888,580 5.132,581 5.234,582 2.903,583 4.054,584 4.619,585 3.606,586 1081.83,587 7.964,588 13506.7,590 1,592 1,593 206.131,594 1.44,595 4.569,596 0.204,597 0.005,598 0.072,599 0.042,600 0.043,601 0.027,602 0.02,603 0.011,604 0.009,605 0.008,606 0.442,607 0.33,608 1,609 0.795,610 122.327,611 -0.117,612 0.084,613 -0.018,614 0.091,615 -0.119,616 0.076,617 0.287,618 -0.131,619 0.013,620 -0.157,621 0.181,622 -0.153,623 -0.078,624 -0.148,625 -0.127,626 -0.152,627 -0.037,628 -0.147,629 -0.055,630 -0.107,631 0.049,632 -0.029,633 -0.047,634 -0.059,635 0.008,636 0.03,637 0.042,638 0.066,639 -0.044,640 0.058,641 -0.233,642 0.014,643 -0.092,644 0.048,645 -0.167,646 0.048,647 0.034,648 0.123,649 0.043,650 0.006,651 0.021,652 0.061,653 -0.215,654 0.047,655 -0.204,656 -0.016,657 -0.206,658 -0.061,659 2.699,660 5.331,661 0.64,662 21.482,663 1.014,664 1.103,665 3.35,666 11.22,667 0.733,668 3.332,669 3.638,670 3.85,671 4.06,672 4.263,673 4.234,674 4.304,675 4.277,676 4.331,677 4.174,678 6.583,679 0.706,680 350.42,681 3.332,682 4.86,683 5.687,684 6.547,685 7.39,686 8.25,687 9.099,688 9.959,689 10.81,690 11.671,691 5.1,698 2,708 2,709 11,714 3,716 17,725 1,738 39,739 20,740 3,741 27,743 41,744 19,745 16,746 5,747 11,748 2,752 3,753 4,757 1,768 19,772 3,778 2,779 1,782 3,786 1,789 14,790 5,791 3,792 6,793 1,797 2,800 1,803 0.667,804 3,823 3,827 1,853 1,855 2,857 1,862 25,868 1,871 2,886 7.7,888 1,889 2,893 13.167,894 6.867,895 5.5,896 2.113,898 3.323,899 1.475,900 0.98,901 5.074,902 10.322,903 3.676,904 4.277,905 4.832,906 5.403,907 5.963,908 6.168,909 6.522,910 6.737,911 7.044,912 6.743,913 1,914 37,915 9.194,917 3.93,918 8.06,919 16.926,921 13.543,924 2.56,925 64,929 129.482,930 169.604,931 36.022,933 92.973,935 45.192,936 124.412,937 222.455,938 36.022,940 36.022,941 104.239,942 98.588,943 14.274,944 0.285,945 129.482,946 45.192,947 129.482,948 160.433,949 92.973,950 45.192,952 129.482,953 92.973,956 36.022,957 124.412,959 45.192,960 129.482,961 128.995,962 169.604,965 129.482,966 20.173,967 104.239,968 36.022,969 138.165,970 129.482,971 128.995,972 169.604,973 0.581,974 0.33,975 0.172,976 0.094,977 17,978 8,979 0.073,980 3,981 1,982 1.125,983 3.745,984 196.636,985 0.125,986 16,987 116.096,990 1,993 17.082,994 7.426,995 4.208,996 2.008,997 128.995,998 19.318,1003 1.111,1005 78.705,1006 428.08,1007 38.5,1013 23.31,1014 5.127,1017 -1.27,1020 39.564,1021 43.036,1022 0.317,1023 0.582,1024 0.74,1025 0.925,1026 0.971,1027 0.99,1028 4.885,1029 1.329,1030 5.666,1031 3.386,1032 4.317,1033 4.963,1034 2.525,1035 6.431,1036 4.28,1037 6.101,1038 1.154,1039 7.201,1040 2.99,1041 3.892,1042 4.771,1043 1.305,1044 7.226,1045 3.83,1046 7.404,1047 1,1048 8.832,1049 2.789,1050 5.872,1051 7.171,1052 3.228,1053 10.274,1054 5.809,1055 8.739,1056 0.646,1057 10.517,1058 2.323,1059 6.217,1060 7.766,1061 2.579,1062 11.851,1063 6.144,1064 10.101,1065 -0.099,1066 12.236,1067 1.517,1068 7.688,1069 9.665,1070 4.077,1071 14.396,1072 7.611,1073 11.483,1074 -0.424,1075 13.977,1076 -0.267,1077 8.395,1078 10.658,1079 3.828,1080 16.307,1081 8.318,1082 12.882,1083 -0.597,1084 15.734,1085 -1.036,1086 9.642,1087 12.326,1088 5.018,1089 18.655,1090 9.561,1091 2.983,1092 -0.618,1093 17.502,1094 -1.36,1095 10.528,1096 13.534,1097 5.043,1098 20.722,1099 10.449,1100 2.833,1101 9.434,1102 19.279,1103 -1.6,1104 11.673,1105 15.089,1106 6.022,1107 22.988,1108 11.591,1109 2.642,1110 8.517,1111 21.062,1112 4.352,1113 12.649,1114 16.413,1115 6.232,1116 25.13,1117 12.569,1118 2.384,1119 8.244,1120 22.85,1121 3.798,1122 13.748,1123 17.914,1124 7.07,1125 27.364,1126 13.666,1127 1.97,1128 6.973,1129 24.642,1130 3.432,1131 14.769,1132 19.302,1133 7.405,1134 29.543,1135 14.689,1136 1.618,1137 5.417,1138 26.437,1139 3.016,1140 15.85,1141 20.778,1142 8.15,1143 31.767,1144 15.768,1145 1.481,1146 4.394,1147 28.235,1148 2.63,1149 16.894,1150 22.2,1151 8.567,1152 33.967,1153 16.814,1154 7310,1155 13398,1156 17.8,1157 28.591,1158 40.754,1159 42.917,1160 41.327,1161 40.2,1162 40.078,1163 55.745,1164 8.68,1165 111.967,1166 39.273,1167 5.335,1168 5.842,1169 5.942,1170 5.019,1171 4.983,1172 7.352,1173 3.21,1174 15.865,1175 4.982,1176 12.698,1177 1.509,1178 1.59,1179 1.531,1180 1.489,1181 1.484,1182 2.065,1183 0.321,1184 4.147,1185 1.455,1186 4.089,1187 4.108,1188 4.058,1189 4.048,1190 7.475,1191 4.044,1192 3.933,1193 3.958,1194 3.952,1195 3.859,1196 7.429,1197 3.859,1198 3.62,1199 3.649,1200 3.791,1201 3.502,1202 6.351,1203 3.497,1204 3.399,1205 3.433,1206 3.465,1207 3.327,1208 4.909,1209 3.27,1210 3.255,1211 3.256,1212 3.233,1213 3.019,1214 4.86,1215 3.055,1216 3.078,1217 3.12,1218 3.051,1219 2.977,1220 4.631,1221 2.963,1222 2.963,1223 3.015,1224 2.874,1225 2.795,1226 4.287,1227 2.805,1228 2.745,1229 2.776,1230 2.768,1231 2.688,1232 3.853,1233 2.642,1234 0.164,1235 0.142,1236 0.232,1237 0.148,1238 0.11,1239 4.437,1240 0.161,1241 3.842,1242 0.066,1243 6.254,1244 0.349,1245 3.983,1246 0.11,1247 2.983,1248 4.352,1249 1.773,1250 9.434,1251 2.982,1252 2.075,1253 2.057,1254 2.156,1255 2.13,1256 1.285,1257 2.139,1258 1.904,1259 1.882,1260 2,1261 2.002,1262 1.087,1263 2.003,1264 1.559,1265 1.532,1266 1.683,1267 1.722,1268 0.733,1269 1.708,1270 1.322,1271 1.29,1272 1.39,1273 1.512,1274 0.406,1275 1.509,1276 1.116,1277 1.107,1278 1.285,1279 1.401,1280 0.348,1281 1.347,1282 1.065,1283 1.028,1284 1.241,1285 1.225,1286 0.227,1287 1.243,1288 0.914,1289 0.868,1290 1.127,1291 1.137,1292 0.153,1293 1.143,1294 0.721,1295 0.697,1296 0.942,1297 0.893,1298 0.02,1299 0.91,1300 4.007,1302 5.313,1304 6.81,1306 8.392,1308 10.017,1314 8.994,1317 5.403,1326 27.535,1327 65.362,1328 120.023,1329 152.567,1330 190.621,1331 200.131,1332 204.131,1333 47.08,1334 6.999,1335 78.43,1336 110.52,1337 18,1338 12.223,1339 4.392,1340 3.644,1341 41.991,1342 100,1343 81,1344 0.204,1345 175.352,1346 305.32,1347 419.618,1348 10421,1350 17.811,1351 0.712,1352 0.554,1353 18.311,1354 13.839,1355 12.025,1356 0.445,1357 0.292,1358 7.432,1359 11.438,1360 7.25,1361 6.025,1362 12.314,1363 7.881,1364 10.968,1365 0.296,1366 0.156,1367 11.377,1368 5.764,1369 8.661,1370 0.188,1371 0.083,1372 8.897,1373 3.81,1374 7.071,1375 0.124,1376 0.046,1377 7.424,1378 2.609,1379 5.586,1380 0.08,1381 0.025,1382 5.79,1383 1.716,1384 0.326,1385 77.585,1386 0.237,1387 24.602,1388 0.543,1389 128,1390 411.147,1391 152.73,1392 425.648,1393 561.59,1394 392,1395 147,1396 386.182,1397 164.331,1398 402.816,1399 582.21,1400 378,1401 4.687}
{0 CHEMBL1448698,1 1.686,2 10.087,3 4.591,4 21.081,5 97.55,6 10.495,7 0.64,8 3.709,9 3.784,10 3.624,11 3.433,12 4.864,13 3.368,14 4.184,15 4.297,16 4.204,17 3.806,18 5.332,19 3.706,20 4.358,21 4.5,22 3.957,23 3.788,24 5.566,25 3.689,26 4.29,27 4.474,28 3.71,29 3.679,30 5.311,31 3.579,32 4.228,33 4.401,34 3.748,35 3.67,36 5.297,37 3.569,38 4.233,39 4.395,40 3.732,41 3.676,42 5.389,43 3.558,44 4.235,45 4.431,46 3.79,47 3.63,48 5.319,49 3.492,50 4.105,51 4.301,52 3.72,53 3.512,54 5.158,55 3.344,56 0.017,57 0.419,58 3.096,59 3.152,60 4.58,61 3.684,62 0.098,63 0.703,64 18.057,65 6.236,66 12.883,67 6.342,68 0.367,69 0.869,70 19.816,71 7.508,72 44.768,73 7.409,74 0.205,75 0.831,76 18.568,77 6.869,78 22.157,79 7.509,80 0.151,81 0.778,82 15.635,83 6.219,84 17.949,85 7.137,86 0.187,87 0.768,88 15.787,89 6.526,90 26.059,91 7.257,92 0.18,93 0.787,94 15.962,95 6.757,96 24.856,97 7.712,98 0.146,99 0.656,100 18.446,101 6.705,102 23.017,103 7.556,104 13,105 34,106 0.3,107 0.63,108 0.781,109 0.886,110 0.895,111 0.895,112 3.188,113 1.042,114 -4.15,115 -4.1,116 -3.87,119 1,120 48.6,121 1,126 1,136 2,143 7,144 1,145 1,147 2,153 1,154 1,157 1,174 7,177 5,185 11,188 2,189 7,197 9,201 3,209 6,214 5,222 8,226 1,227 5,235 8,240 3,247 7,252 4,260 8,264 2,271 6,274 748,275 15.447,276 15.447,277 15.447,278 15.447,279 15.447,280 13.229,281 7.616,282 9.24,283 15.972,284 12.364,285 12.364,286 12.364,287 12.364,288 12.364,289 8.981,290 6.647,291 4.442,292 13.348,293 3.523,294 1.67,295 0.822,296 0.237,297 0.183,298 0.183,299 3.87,306 1,307 1,308 492,309 3.162,312 63.039,313 118.138,317 100.936,320 1.577,321 17.278,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48.25,333 232,334 4.525,335 3.598,336 6.528,337 4.034,338 3.066,339 4.467,340 2.274,341 10.298,342 2.967,343 4.117,344 3.162,345 5.562,346 3.573,347 2.703,348 3.75,349 0.91,350 7.604,351 2.402,352 3.761,353 2.967,354 5.316,355 3.338,356 2.385,357 3.207,359 6.835,360 2.284,361 3.57,362 2.518,363 5.165,364 3.227,365 2.217,366 2.873,368 6.199,369 2.179,370 3.414,371 2.266,372 4.633,373 2.968,374 1.983,375 2.664,377 5.058,378 1.932,379 3.194,380 2.083,381 4.627,382 2.664,383 1.826,384 2.407,386 4.978,387 1.446,388 2.915,389 1.522,390 4.12,391 2.411,392 1.428,393 2.11,395 3.556,396 1.369,397 2.475,398 1.415,399 3.44,400 1.985,401 1.036,402 1.433,404 2.403,405 0.973,406 2.357,407 0.954,408 3.286,409 1.726,410 0.801,411 1.187,413 1.855,414 0.689,415 2.156,416 0.868,417 3.174,418 1.531,419 0.617,420 0.91,422 1.472,423 0.55,424 1.785,425 0.583,426 2.929,427 1.369,428 0.445,429 0.579,431 1.033,432 0.403,433 1.159,434 0.388,435 2.472,436 0.712,437 -0.236,438 -0.306,440 -0.59,441 -0.207,442 0.924,443 0.018,444 2.336,445 0.445,446 -0.532,447 -0.698,449 -1.317,450 -0.347,451 0.614,452 -0.107,453 2.209,454 0.166,455 -0.714,456 -0.924,458 -1.741,459 -0.54,460 0.505,461 -0.475,462 1.952,463 0.096,464 -0.85,465 -1.087,467 -2,468 -0.767,469 12.233,470 0.532,471 0.558,472 0.024,473 31.25,474 1.359,475 17.5,476 0.761,477 13.75,478 0.598,479 18.117,480 0.788,481 22.567,482 0.61,483 19.169,484 0.833,485 5.976,486 0.26,487 5.138,488 0.223,489 0.177,491 0.286,496 0.663,497 0.971,498 0.497,499 0.732,500 0.598,501 0.769,502 0.952,503 1.037,504 0.491,505 0.726,506 0.691,507 0.805,508 1.288,509 1.055,510 0.864,511 0.963,512 1.415,513 1.004,514 1.168,515 0.933,516 0.638,517 0.786,518 0.646,519 0.903,520 0.924,521 1.019,522 0.635,523 0.833,524 0.697,525 0.94,526 0.946,527 1.089,528 0.687,529 0.934,530 0.999,531 1.052,532 0.881,533 0.922,534 0.604,535 0.849,536 1.04,537 0.959,538 0.835,539 0.946,540 0.908,541 0.964,542 1.087,543 1.002,544 5,545 0.094,546 2.222,547 1.069,548 1.152,549 0.521,550 0.395,551 0.386,552 0.166,553 0.121,554 5786,555 19576,556 2.067,557 37.8,559 11,563 3,567 1.656,568 1.944,569 3.319,570 -0.772,575 62.388,576 1.686,577 3.539,578 4.388,579 4.973,580 5.027,581 5.027,582 2.773,583 4.437,584 4.491,585 3.475,586 879.052,587 7.732,588 10182.9,590 1,593 192.75,594 1.371,595 4.458,596 0.2,597 0.009,598 0.065,599 0.034,600 0.043,601 0.019,602 0.015,603 0.017,604 0.009,605 0.008,606 0.419,607 0.5,608 1,609 1.17,610 108.525,611 -0.011,612 -0.048,613 0.006,614 0.009,615 -0.071,616 0.013,617 -0.036,618 -0.067,619 0.153,620 0.127,621 -0.008,622 0.048,623 0.005,624 -0.037,625 -0.09,626 -0.067,627 -0.096,628 -0.123,629 -0.159,630 0.08,631 -0.033,632 0.034,633 -0.069,634 0.02,635 -0.065,636 -0.027,637 -0.018,638 -0.021,639 0.001,640 -0.026,641 -0.02,642 -0.103,643 -0.055,644 -0.086,645 0.02,646 -0.139,647 -0.021,648 0.079,649 0.052,650 0.037,651 -0.024,652 0.016,653 0.044,654 -0.025,655 0.036,656 0.033,657 0.001,658 0.04,659 1.679,660 4.122,661 0.652,662 20.938,663 1.007,664 1.097,665 2.922,666 8.537,667 0.763,668 3.258,669 3.555,670 3.761,671 4.007,672 4.205,673 4.22,674 4.331,675 4.443,676 4.533,677 4.5,678 6.019,679 0.712,680 388.3,681 3.258,682 4.779,683 5.602,684 6.463,685 7.309,686 8.174,687 9.03,688 9.897,689 10.759,690 11.628,691 2.7,701 1,708 2,709 7,710 1,713 1,714 4,716 16,735 1,737 1,738 37,739 18,740 1,741 25,742 1,743 39,744 18,745 13,746 3,747 3,748 2,752 3,753 4,759 1,768 16,769 2,772 2,778 1,780 2,782 1,786 1,789 14,790 3,792 5,793 2,797 1,803 0.667,804 2,816 1,822 1,823 2,827 1,836 1,845 2,855 2,857 1,858 1,859 1,862 23,869 1,872 1,880 1,885 1,886 5.4,889 1,891 1,893 11.833,894 7.093,895 5.056,896 2.108,898 3.736,899 1.535,900 0.998,901 5.114,902 10.714,903 3.584,904 4.201,905 4.786,906 5.393,907 5.926,908 6.261,909 6.7,910 7.153,911 7.606,912 7.822,913 0.857,914 31,915 8.458,917 3.505,918 7.728,919 16.141,921 12.911,924 2.228,925 51.25,929 164.795,930 150.419,931 62.74,933 36.145,935 31.278,936 165.095,937 200.94,938 16.786,939 8.825,940 4.592,941 85.286,942 47.064,943 24.945,944 1.358,945 242.027,947 164.795,948 135.926,949 36.145,950 31.278,951 45.954,952 164.795,953 36.145,956 19.546,957 80.642,958 35.738,959 77.232,960 164.795,961 52.93,962 196.373,965 164.795,966 56.307,967 94.111,968 45.954,969 52.93,970 164.795,971 52.93,972 196.373,973 0.576,974 0.313,975 0.167,976 0.094,977 16,978 7,979 0.128,980 5,981 1,982 1.133,983 3.599,984 176.265,985 0.133,986 15,987 104.042,989 1,993 16.192,994 7.264,995 4.197,996 1.755,997 52.93,998 13.76,999 4.645,1002 1.665,1003 3.733,1006 414.098,1007 35,1013 11.122,1015 4.002,1017 -0.013,1020 37.247,1021 40.585,1022 0.324,1023 0.679,1024 0.842,1025 0.955,1026 0.965,1027 0.965,1028 4.787,1029 1.036,1030 5.572,1031 3.556,1032 4.234,1033 4.887,1034 2.407,1035 6.326,1036 4.109,1037 6.004,1038 0.801,1039 7.093,1040 2.403,1041 3.761,1042 4.677,1043 2.036,1044 7.111,1045 3.563,1046 7.304,1047 0.617,1048 8.708,1049 1.855,1050 5.771,1051 7.126,1052 3.616,1053 10.173,1054 5.551,1055 8.64,1056 0.445,1057 10.38,1058 1.472,1059 6.089,1060 7.763,1061 3.889,1062 11.819,1063 5.804,1064 10.006,1065 -0.236,1066 12.091,1067 1.033,1068 7.571,1069 9.66,1070 5.082,1071 14.4,1072 7.266,1073 11.394,1074 -0.532,1075 13.831,1076 -0.59,1077 8.274,1078 10.72,1079 5.641,1080 16.432,1081 7.912,1082 12.8,1083 -0.714,1084 15.593,1085 -1.317,1086 9.532,1087 12.381,1088 6.647,1089 18.848,1090 9.15,1091 3.066,1092 -0.85,1093 17.373,1094 -1.741,1095 10.434,1096 13.659,1097 7.337,1098 21.051,1099 10.006,1100 2.703,1101 10.298,1102 19.169,1103 -2,1104 11.596,1105 15.217,1106 8.253,1107 23.411,1108 11.147,1109 2.385,1110 7.604,1111 20.978,1112 4.467,1113 12.6,1114 16.603,1115 9.007,1116 25.688,1117 12.113,1118 2.217,1119 6.835,1120 22.797,1121 3.75,1122 13.723,1123 18.118,1124 9.877,1125 28.028,1126 13.214,1127 1.983,1128 6.199,1129 24.626,1130 3.207,1131 14.778,1132 19.558,1133 10.664,1134 30.335,1135 14.238,1136 1.826,1137 5.058,1138 26.462,1139 2.873,1140 15.888,1141 21.056,1142 11.51,1143 32.669,1144 15.325,1145 1.428,1146 4.978,1147 28.305,1148 2.664,1149 16.97,1150 22.522,1151 12.313,1152 34.99,1153 16.379,1154 5667,1155 10548,1156 16.701,1157 28.245,1158 37.741,1159 37.967,1160 37.719,1161 37.149,1162 37.015,1163 51.175,1164 6.367,1165 102.583,1166 34.391,1167 5.333,1168 5.598,1169 6.074,1170 5.129,1171 5.066,1172 7.467,1173 3.914,1174 17.084,1175 4.967,1176 10.896,1177 1.51,1178 1.519,1179 1.509,1180 1.486,1181 1.481,1182 2.047,1183 0.255,1184 4.103,1185 1.376,1186 4.08,1187 4.102,1188 6.885,1189 4.023,1190 7.428,1191 4.015,1192 3.866,1193 3.865,1194 4.134,1195 3.931,1196 5.025,1197 3.846,1198 3.634,1199 3.661,1200 4.021,1201 3.472,1202 4.706,1203 3.473,1204 3.502,1205 3.537,1206 3.544,1207 3.398,1208 4.523,1209 3.4,1210 3.173,1211 3.216,1212 3.427,1213 3.096,1214 4.281,1215 3.074,1216 3.025,1217 3.082,1218 3.056,1219 2.842,1220 3.992,1221 2.85,1222 2.787,1223 2.878,1224 2.898,1225 2.586,1226 3.841,1227 2.541,1228 2.602,1229 2.658,1230 2.682,1231 2.548,1232 3.698,1233 2.513,1234 0.181,1235 0.144,1236 0.261,1237 0.161,1238 0.123,1239 4.525,1240 0.179,1241 3.598,1242 0.091,1243 6.528,1244 0.412,1245 4.034,1246 0.119,1247 3.066,1248 4.467,1249 2.274,1250 10.298,1251 2.967,1252 2.035,1253 2.015,1254 2.104,1255 2.123,1256 1.217,1257 2.118,1258 1.663,1259 1.642,1260 1.797,1261 1.798,1262 0.891,1263 1.796,1264 1.551,1265 1.516,1266 1.761,1267 1.719,1268 0.862,1269 1.741,1270 1.44,1271 1.417,1272 1.583,1273 1.536,1274 0.664,1275 1.561,1276 1.34,1277 1.338,1278 1.4,1279 1.371,1280 0.58,1281 1.428,1282 1.029,1283 0.996,1284 1.332,1285 1.268,1286 0.461,1287 1.294,1288 0.918,1289 0.87,1290 1.048,1291 1.044,1292 0.262,1293 1.093,1294 0.772,1295 0.689,1296 0.88,1297 0.912,1298 0.104,1299 0.974,1300 3.932,1302 5.231,1303 2.398,1304 6.708,1305 4.595,1306 8.275,1307 6.529,1308 9.896,1309 3.454,1310 1.506,1315 0.06,1318 5.562,1326 26.351,1327 62.388,1328 130.959,1329 162.343,1330 183.995,1331 185.995,1332 185.995,1333 32.938,1334 6.978,1335 39.19,1336 67.43,1337 17,1338 12.174,1339 4.248,1340 3.459,1341 36.873,1342 82,1343 82,1344 0.22,1345 172.737,1346 292.79,1347 413.239,1348 9670,1349 2.7,1350 16.234,1351 0.706,1352 0.646,1353 17.587,1354 14.856,1355 11.114,1356 0.445,1357 0.347,1358 7.129,1359 9.963,1360 6.787,1361 5.633,1362 12.1,1363 8.68,1364 10.127,1365 0.298,1366 0.221,1367 11.902,1368 7.524,1369 7.813,1370 0.186,1371 0.113,1372 9.13,1373 4.737,1374 6.378,1375 0.118,1376 0.064,1377 7.682,1378 3.435,1379 5.18,1380 0.078,1381 0.034,1382 6.247,1383 2.256,1384 0.346,1385 81.033,1386 0.245,1387 22.766,1388 0.601,1389 118,1390 360.631,1391 236.078,1392 407.092,1393 542.2,1394 380,1395 135,1396 349.384,1397 189.45,1398 384.369,1399 558.75,1400 361,1401 4.215}
{0 CHEMBL1448745,1 2.007,2 8.316,3 1.257,4 1.579,5 73.719,6 10.433,7 0.55,8 3.481,9 3.611,10 3.297,11 2.889,12 4.914,13 2.951,14 3.866,15 4.006,16 3.626,17 3.235,18 5.404,19 3.282,20 4.008,21 4.173,22 3.664,23 3.27,24 5.456,25 3.282,26 4.058,27 4.259,28 3.557,29 3.092,30 5.592,31 3.119,32 3.707,33 3.914,34 3.148,35 2.798,36 5.13,37 2.853,38 3.605,39 3.78,40 3.08,41 2.729,42 5.101,43 2.752,44 3.488,45 3.686,46 3.091,47 2.684,48 4.876,49 2.73,50 3.537,51 3.713,52 2.999,53 2.706,54 4.91,55 2.72,56 0.233,57 0.448,58 2.426,59 1.57,60 14.811,61 1.6,62 0.392,63 0.609,64 4.587,65 2.591,66 46.974,67 2.597,68 0.444,69 0.584,70 7.582,71 3.309,72 34.733,73 3.532,74 0.663,75 0.478,76 14.432,77 3.24,78 73.004,79 3.46,80 0.406,81 0.379,82 7.382,83 1.992,84 37.681,85 2.134,86 0.404,87 0.352,88 7.156,89 1.966,90 49.07,91 2.112,92 0.287,93 0.36,94 5.446,95 1.485,96 19.391,97 1.989,98 0.319,99 0.336,100 5.43,101 1.833,102 36.028,103 1.789,104 18,105 27,106 0.387,107 0.737,108 0.854,109 0.888,110 0.888,111 0.888,112 3.008,113 0.8,114 -4.43,115 -4.36,116 -4.11,120 33.3,143 3,144 1,145 2,156 1,161 1,163 1,164 1,165 1,166 1,167 3,169 1,170 2,174 3,176 3,177 2,180 2,185 3,188 2,189 7,191 2,192 3,193 1,194 1,196 1,197 3,200 1,201 8,203 1,204 1,206 2,209 1,213 1,214 4,219 1,226 2,227 6,230 1,232 1,237 1,240 4,243 2,245 3,249 2,251 2,252 1,257 1,262 1,263 5,264 2,266 1,267 1,274 422,275 12.483,276 12.483,277 12.483,278 12.483,279 12.483,280 10.546,281 9.98,282 7.377,283 12.872,284 9.829,285 9.829,286 9.829,287 9.829,288 9.829,289 7.038,290 6.411,291 3.453,292 10.49,293 2.747,294 0.93,295 0.324,296 0.148,297 0.148,298 0.148,299 3.662,303 1,306 1,307 1,308 325,309 2.915,312 58.503,313 66.899,320 1.352,321 24.962,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 43.833,333 158,334 4.409,335 3.82,336 6.366,337 3.923,338 2.975,339 4.14,340 2.612,341 9.559,342 2.808,343 4.19,344 2.955,345 6.034,346 3.736,347 2.817,348 3.818,350 8.587,351 2.587,352 3.773,353 2.896,354 5.263,355 3.291,356 2.312,357 3.244,359 6.662,360 2.254,361 3.398,362 2.479,363 4.695,364 2.766,365 1.86,366 2.699,368 4.746,369 1.624,370 2.884,371 1.758,372 4.158,373 2.465,374 1.53,375 1.943,377 3.788,378 1.417,379 2.607,380 1.418,381 3.612,382 2.097,383 1.137,384 1.596,386 2.514,387 1.089,388 2.566,389 1.261,390 3.459,391 2,392 1,393 1.587,395 2.423,396 1,397 2.497,398 1.115,399 3.332,400 1.855,401 0.935,402 1.39,404 2.118,405 0.852,406 1.402,407 1,408 2.714,409 1.05,410 0.147,411 0.176,413 0.34,414 0.118,415 1.086,416 0.612,417 2.316,418 0.584,419 -0.294,420 -0.386,422 -0.673,423 -0.234,424 1,425 0.045,426 2.144,427 0.259,428 -0.71,429 -0.838,431 -1.617,432 -0.669,433 0.659,434 -0.587,435 1.686,436 0.115,437 -0.851,438 -1.201,440 -2,441 -0.799,442 0.457,443 -0.663,444 1.574,446 -1,447 -1.474,449 -2.504,450 -0.992,451 0.044,452 -0.911,453 1.46,454 -0.355,455 -1.212,456 -1.896,458 -3.062,459 -1,460 -0.088,461 -1.317,462 1.304,463 -0.615,464 -1.474,465 -2,467 -3.635,468 -1.333,469 8.681,470 0.457,471 0.511,472 0.027,473 28,474 1.474,475 15.5,476 0.816,477 12.5,478 0.658,479 10.198,480 0.537,481 20.719,482 0.767,483 18.988,484 0.999,485 5.848,486 0.308,487 3.228,488 0.17,489 0.205,491 0.323,496 0.541,497 1.076,498 0.522,499 0.716,500 0.623,501 0.715,502 0.697,503 1.063,504 0.645,505 0.807,506 0.486,507 0.803,508 0.783,509 1.054,510 1.016,511 1.249,512 0.676,513 1.229,514 1.178,515 0.986,516 1.24,517 1.156,518 1.051,519 1.09,520 1.322,521 0.957,522 0.752,523 0.696,524 1.16,525 0.751,526 1.135,527 1.081,528 1.091,529 1.064,530 1.315,531 1.148,532 0.62,533 1.254,534 0.58,535 0.847,536 0.46,537 0.817,538 1.252,539 1.17,540 1.212,541 1.186,542 1.274,543 1.281,544 4,545 0.06,546 2.444,547 1.382,548 0.738,549 0.462,550 0.25,551 0.141,552 0.177,553 0.177,554 3307,555 15456,556 1.965,557 29.6,559 3,561 2,562 3,567 1.597,568 1.81,569 3.054,570 1.407,574 1,575 54.201,576 2.007,577 3.825,578 4.431,579 4.607,580 4.607,581 4.607,582 2.405,583 4.037,584 4.224,585 3.249,586 555.536,587 7.164,588 5731.22,589 1,590 1,593 128.382,594 1.509,595 4.159,596 0.2,597 0.007,598 0.091,599 0.055,600 0.037,601 0.029,602 0.018,603 0.009,604 0.014,605 0.015,606 0.474,607 0.33,608 1,609 0.92,610 83.917,611 0.131,612 0.197,613 -0.001,614 0.157,615 -0.08,616 0.055,617 0.052,618 0.128,619 0.008,620 0.128,621 0.178,622 0.053,623 0.011,624 0.022,625 -0.094,626 -0.262,627 -0.01,628 -0.284,629 -0.132,630 -0.153,631 -0.052,632 -0.156,633 -0.016,634 -0.042,635 -0.354,636 -0.052,637 0.046,638 0.203,639 -0.15,640 0.247,641 -0.103,642 -0.158,643 -0.167,644 -0.102,645 -0.196,646 -0.174,647 0.144,648 -0.243,649 0.185,650 0.047,651 0.159,652 0.16,653 -0.35,654 -0.179,655 -0.322,656 -0.246,657 -0.368,658 -0.346,659 2.566,660 3.702,661 0.579,662 13.59,663 1.058,664 1.158,665 3.2,666 10.24,667 0.688,668 3.045,669 3.332,670 3.526,671 3.664,672 3.664,673 3.555,674 3.555,675 3.497,676 3.584,677 3.664,678 5.416,679 0.701,680 281.69,681 3.045,682 4.554,683 5.371,684 6.217,685 7.048,686 7.894,687 8.73,688 9.575,689 10.413,690 11.257,691 25.9,695 1,696 1,699 1,700 1,701 2,702 1,709 4,710 2,714 4,715 1,716 11,731 1,737 1,738 27,739 14,740 1,741 20,743 28,744 9,745 8,746 3,747 3,748 1,752 2,753 2,754 1,755 1,768 9,772 3,775 1,778 2,780 1,781 1,786 1,789 8,790 7,791 3,792 10,793 1,797 7,803 1,804 2,822 1,823 1,855 2,860 1,862 19,863 1,871 1,883 1,885 1,886 7.4,892 2,893 10.5,894 4.726,895 4.25,896 1.262,898 2.696,899 1.444,900 0.95,901 4.062,902 8.769,903 3.384,904 3.984,905 4.484,906 4.981,907 5.287,908 5.436,909 5.709,910 5.838,911 6.167,912 6.574,913 1,914 25,915 6.867,917 2.856,918 8.357,919 12.162,921 9.156,924 2.857,925 54.278,929 58.856,930 57.437,931 108.099,932 39.149,933 50.747,936 57.437,937 148.751,938 108.099,939 5.67,941 61.203,942 92.422,943 29.782,945 35.313,946 89.896,947 58.856,948 165.535,949 50.747,950 39.149,952 58.856,954 50.747,956 28.957,957 70.646,958 105.08,960 58.856,961 158.845,962 96.585,965 58.856,966 11.342,967 53.541,968 17.888,969 172.659,970 58.856,971 158.845,972 96.585,973 0.581,974 0.335,975 0.166,976 0.074,977 12,978 6,979 0.143,980 4,982 1,983 3.163,984 127.616,986 11,987 78.711,993 13.419,994 5.751,995 3.257,997 151.399,998 5.617,999 7.182,1003 0.621,1004 1.141,1005 50.663,1006 314.286,1007 28.5,1010 -0.566,1013 21.404,1015 1.373,1016 3.831,1020 28.575,1021 31.266,1022 0.422,1023 0.804,1024 0.932,1025 0.969,1026 0.969,1027 0.969,1028 4.582,1029 0.935,1030 5.352,1031 2.423,1032 4.007,1033 4.668,1034 2.501,1035 6.111,1036 3.882,1037 5.806,1038 0.147,1039 6.893,1040 2.118,1041 3.611,1042 4.527,1043 2.361,1044 6.957,1045 3.382,1046 7.113,1047 -0.294,1048 8.534,1049 0.34,1050 5.557,1051 6.874,1052 4.154,1053 9.986,1054 5.311,1055 8.458,1056 -0.71,1057 10.234,1058 -0.673,1059 5.969,1060 7.553,1061 4.506,1062 11.645,1063 5.613,1064 9.832,1065 -0.851,1066 11.97,1067 -1.617,1068 7.394,1069 9.355,1070 5.948,1071 14.175,1072 7.024,1073 11.226,1074 -1,1075 13.731,1076 -2,1077 8.165,1078 10.402,1079 6.556,1080 16.159,1081 7.688,1082 12.635,1083 -1.212,1084 15.509,1085 -2.504,1086 9.382,1087 11.981,1088 7.794,1089 18.509,1090 8.879,1091 2.975,1092 -1.474,1093 17.3,1094 -3.062,1095 10.315,1096 13.204,1097 8.548,1098 20.633,1099 9.717,1100 2.817,1101 9.559,1102 19.1,1103 -3.635,1104 11.446,1105 14.686,1106 9.67,1107 22.913,1108 10.809,1109 2.312,1110 8.587,1111 20.907,1112 4.14,1113 12.454,1114 15.995,1115 10.509,1116 25.1,1117 11.732,1118 1.86,1119 6.662,1120 22.72,1121 3.818,1122 13.55,1123 17.434,1124 11.563,1125 27.354,1126 12.78,1127 1.53,1128 4.746,1129 24.537,1130 3.244,1131 14.592,1132 18.787,1133 12.452,1134 29.57,1135 13.747,1136 1.137,1137 3.788,1138 26.358,1139 2.699,1140 15.674,1141 20.207,1142 13.468,1143 31.816,1144 14.776,1145 1,1146 2.514,1147 28.182,1148 1.943,1149 16.732,1150 21.584,1151 14.386,1152 34.046,1153 15.766,1154 3366,1155 7408,1156 12.83,1157 18.568,1158 29.849,1159 31.366,1160 30.665,1161 29.536,1162 29.427,1163 41.186,1164 5.225,1165 81.475,1166 27.498,1167 5.129,1168 5.82,1169 5.949,1170 4.967,1171 4.975,1172 7.14,1173 4.612,1174 15.915,1175 4.808,1176 10.609,1177 1.492,1178 1.568,1179 1.533,1180 1.477,1181 1.471,1182 2.059,1183 0.261,1184 4.074,1185 1.375,1186 4.003,1187 4.034,1188 4.075,1189 3.89,1190 7.815,1191 3.896,1192 3.873,1193 3.955,1194 3.851,1195 3.55,1196 6.999,1197 3.617,1198 3.528,1199 3.561,1200 3.519,1201 3.161,1202 5.284,1203 3.224,1204 3.241,1205 3.311,1206 3.448,1207 2.953,1208 4.925,1209 3.004,1210 2.826,1211 2.974,1212 2.988,1213 2.568,1214 4.771,1215 2.59,1216 2.767,1217 2.855,1218 2.618,1219 2.366,1220 4.636,1221 2.412,1222 2.619,1223 2.666,1224 2.556,1225 2.271,1226 4.19,1227 2.332,1228 2.383,1229 2.461,1230 2.357,1231 2.178,1232 3.597,1233 2.176,1234 0.22,1235 0.191,1236 0.318,1237 0.196,1238 0.149,1239 4.409,1240 0.207,1241 3.82,1242 0.131,1243 6.366,1244 0.478,1245 3.923,1246 0.14,1247 2.975,1248 4.14,1249 2.612,1250 9.559,1251 2.808,1252 1.921,1253 1.901,1254 1.984,1255 2.075,1256 1.096,1257 2.036,1258 1.477,1259 1.391,1260 1.592,1261 1.84,1262 0.531,1263 1.774,1264 1.28,1265 1.23,1266 1.385,1267 1.688,1268 0.314,1269 1.597,1270 1.142,1271 1.076,1272 1.265,1273 1.524,1274 0.213,1275 1.46,1276 1.01,1277 0.946,1278 1.149,1279 1.291,1280 0.034,1281 1.255,1282 0.646,1283 0.558,1284 0.984,1285 1.001,1287 1.016,1288 0.508,1289 0.439,1290 0.822,1291 0.86,1293 0.873,1294 0.406,1295 0.287,1296 0.61,1297 0.673,1299 0.682,1300 3.714,1302 5.004,1303 2.398,1304 6.472,1305 4.595,1306 8.024,1307 6.529,1308 9.62,1311 5.687,1313 5.452,1317 2.536,1326 18.934,1327 54.201,1328 103.263,1329 119.627,1330 124.382,1331 124.382,1332 124.382,1333 34.789,1334 6.073,1335 126.94,1336 126.94,1337 11,1338 11.82,1339 3.907,1340 3.248,1341 33.893,1342 62,1343 45,1344 0.27,1345 125.708,1346 209.05,1347 298.488,1348 2931,1349 3.7,1350 13.828,1351 0.728,1352 0.534,1353 14.328,1354 10.151,1355 9.075,1356 0.454,1357 0.267,1358 4.85,1359 8.131,1360 4.776,1361 3.987,1362 9.364,1363 5.336,1364 8.163,1365 0.302,1366 0.141,1367 8.534,1368 3.807,1369 6.449,1370 0.195,1371 0.074,1372 6.808,1373 2.438,1374 4.959,1375 0.13,1376 0.037,1377 5.303,1378 1.424,1379 3.287,1380 0.087,1381 0.022,1382 3.501,1383 0.818,1384 0.427,1385 62.383,1386 0.279,1387 19.308,1388 0.724,1389 94,1390 403.545,1391 125.243,1392 417.195,1393 538.42,1394 380,1395 107,1396 378.089,1397 135.984,1398 382.627,1399 540.75,1400 354,1401 4.991}
{0 CHEMBL1450119,1 1.581,2 8.053,3 2.246,4 5.045,5 68.344,6 8.103,7 0.55,8 3.574,9 3.662,10 3.183,11 3.097,12 4.851,13 3.108,14 4.03,15 4.16,16 3.549,17 3.423,18 5.423,19 3.426,20 4.205,21 4.338,22 3.533,23 3.473,24 5.568,25 3.461,26 4.283,27 4.463,28 3.377,29 3.382,30 5.566,31 3.35,32 4.13,33 4.345,34 3.303,35 3.191,36 5.474,37 3.175,38 3.972,39 4.126,40 3.087,41 3.061,42 5.363,43 3.075,44 3.814,45 3.996,46 3.065,47 3.032,48 5.339,49 2.991,50 3.671,51 3.813,52 2.85,53 2.954,54 5.034,55 2.873,56 0.102,57 0.419,58 5.558,59 2.936,60 11.544,61 3.238,62 0.273,63 0.635,64 10.17,65 4.663,66 40.757,67 5.623,68 0.428,69 0.727,70 12.819,71 5.174,72 35.674,73 5.926,74 0.422,75 0.751,76 15.658,77 5.489,78 51.72,79 6.557,80 0.398,81 0.629,82 14.564,83 4.783,84 50.134,85 6.241,86 0.471,87 0.526,88 11.85,89 3.437,90 69.05,91 3.386,92 0.359,93 0.453,94 9.925,95 3.857,96 70.364,97 4.881,98 0.299,99 0.407,100 7.492,101 3.418,102 23.183,103 4.154,104 27,105 28,106 0.296,107 0.686,108 0.778,109 0.881,110 0.881,111 0.881,112 3.009,113 0.853,114 -2.86,115 -2.87,116 -2.78,120 43.8,121 2,143 5,144 2,145 1,153 2,159 2,168 1,172 1,174 6,175 1,177 4,180 2,182 3,185 6,186 2,188 1,189 4,192 1,194 5,197 4,198 1,201 4,206 3,207 1,210 1,214 7,217 1,218 1,219 3,222 2,227 3,228 1,235 4,239 1,240 1,241 1,243 1,247 7,248 1,251 1,252 1,255 1,257 1,260 5,261 1,264 1,269 1,271 2,272 2,274 406,275 12.223,276 12.223,277 12.223,278 12.223,279 12.223,280 10.565,281 13.08,282 7.081,283 12.261,284 9.83,285 9.83,286 9.83,287 9.83,288 9.83,289 7.297,290 14.422,291 3.35,292 9.876,293 3.419,294 1.335,295 0.847,296 0.297,297 0.297,298 0.297,299 3.657,306 1,307 1,308 313,309 3.082,312 55.901,313 67.136,320 1.219,321 26.997,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 42.5,333 153,334 4.369,335 3.597,336 6.233,337 3.999,338 2.998,339 4.035,340 1.437,341 9.304,342 2.999,343 4.192,344 3.566,345 5.977,346 3.807,347 2.811,348 3.791,349 1.058,350 8.472,351 2.793,352 3.786,353 2.954,354 5.68,355 3.458,356 2.462,357 3.094,359 7.371,360 2.446,361 3.512,362 2.562,363 5.196,364 3.123,365 2.125,366 2.812,368 6.272,369 2.108,370 2.844,371 1.811,372 4.018,373 2.375,374 1.381,375 1.944,377 3.278,378 1.363,379 2.601,380 1.689,381 4,382 2.247,383 1.247,384 1.635,386 3.27,387 1.247,388 2.569,389 1.547,390 3.711,391 2.066,392 1.043,393 1.499,395 2.707,396 1.058,397 2.529,398 1.183,399 3.436,400 2.005,401 1,402 1.474,404 2.323,405 0.994,406 1.181,407 0.462,408 2.707,409 0.789,410 -0.21,411 -0.273,413 -0.536,414 -0.208,415 0.773,416 0.427,417 2,418 0.555,419 -0.445,420 -0.528,422 -1.056,423 -0.445,424 0.737,425 -0.118,426 2,427 0.267,428 -0.748,429 -0.975,431 -1.904,432 -0.736,433 0.504,434 -0.463,435 2,436 0.049,437 -1,438 -1.199,440 -2,441 -0.981,442 0.408,443 -0.652,444 1.638,445 -0.011,446 -1,447 -1.426,449 -2.449,450 -0.988,451 0.28,452 -0.783,453 1.431,454 -0.019,455 -1,456 -1.453,458 -2.672,459 -1.044,460 -0.182,461 -1.192,462 1.348,463 -0.417,464 -1.43,465 -1.839,467 -4.255,468 -1.455,469 8.733,470 0.46,471 0.617,472 0.032,473 25.25,474 1.329,475 13.5,476 0.711,477 11.75,478 0.618,479 12.256,480 0.645,481 20.667,482 0.646,483 17.906,484 0.942,485 5.344,486 0.281,487 3.625,488 0.191,489 0.229,491 0.401,496 0.799,497 1.126,498 0.739,499 1.015,500 0.702,501 0.885,502 0.557,503 1.118,504 0.616,505 1.026,506 0.43,507 0.878,508 1,509 1.174,510 1.076,511 1.13,512 0.829,513 1.124,514 1.226,515 1.228,516 1.169,517 1.152,518 1.137,519 1.143,520 0.906,521 0.922,522 0.745,523 0.874,524 1.041,525 0.788,526 2.009,527 0.636,528 1.514,529 0.674,530 2.074,531 0.871,532 0.58,533 0.817,534 0.728,535 0.895,536 0.457,537 0.868,538 0.509,539 1.197,540 1.143,541 1.353,542 0.621,543 1.422,544 5,546 2.444,547 1.542,548 1.152,549 0.379,550 0.397,551 0.231,552 0.145,553 0.161,554 3051,555 10483,556 1.935,557 40.6,558 3,559 5,562 2,563 3,567 1.601,568 1.754,569 3.059,570 0.393,572 1,573 1,574 1,575 50.591,576 1.581,577 3.665,578 4.153,579 4.703,580 4.703,581 4.703,582 2.458,583 3.616,584 4.223,585 3.178,586 543.5,587 7.182,588 5415.54,589 1,590 1,592 1,593 160,594 1.568,595 4.14,596 0.25,598 0.087,599 0.059,600 0.055,601 0.019,602 0.025,603 0.014,604 0.012,605 0.02,606 0.542,607 0.67,608 1,609 0.954,610 82.78,611 -0.1,612 -0.004,613 -0.003,614 0.024,615 -0.12,616 0.038,617 0.199,618 -0.063,619 0.217,620 -0.009,621 0.208,622 0.081,623 -0.026,624 -0.133,625 -0.193,626 -0.16,627 -0.023,628 -0.213,629 -0.205,630 -0.254,631 -0.192,632 -0.209,633 -0.145,634 -0.2,635 0.066,636 0.027,637 0.295,638 0.067,639 0.039,640 0.205,641 -0.569,642 0.39,643 -0.492,644 0.211,645 -0.519,646 -0.034,647 0.319,648 0.106,649 0.243,650 0.114,651 0.45,652 0.15,653 0.311,654 -0.236,655 -0.272,656 -0.329,657 0.101,658 -0.44,659 2.708,660 4.909,661 0.579,662 12.321,663 1.022,664 1.12,665 1.633,666 2.665,667 0.669,668 3.045,669 3.367,670 3.555,671 3.714,672 3.829,673 3.714,674 3.689,675 3.664,676 3.664,677 3.664,678 5.06,679 0.658,680 259.28,681 3.045,682 4.575,683 5.398,684 6.26,685 7.104,686 7.964,687 8.815,688 9.673,689 10.527,690 11.385,691 3.1,698 1,709 5,712 1,714 5,716 11,723 1,725 1,738 32,739 13,740 1,741 20,743 33,744 14,745 10,746 2,747 4,748 2,752 2,753 2,759 2,768 12,769 2,772 2,778 2,782 2,785 1,786 1,788 1,789 13,790 5,791 2,792 5,797 1,803 1,804 4,822 1,823 1,853 1,855 2,859 2,862 19,868 1,871 1,886 12.5,888 1,889 2,891 1,893 10.833,894 6.367,895 4.167,896 1.751,898 2.048,899 1.337,900 0.925,901 3.718,902 8.135,903 3.35,904 3.946,905 4.456,906 4.947,907 5.302,908 5.321,909 5.44,910 5.596,911 5.887,912 6.173,913 1,914 26,915 6.998,917 2.957,918 8.219,919 12.703,921 9.891,924 2.719,925 51.667,929 129.482,930 90.672,931 18.011,933 102.481,936 90.672,937 231.963,938 18.011,939 17.65,940 18.011,941 47.381,942 98.588,943 18.635,944 10.898,945 129.482,947 129.482,948 108.682,949 102.481,952 129.482,953 102.481,956 35.661,957 73.021,960 129.482,961 120.491,962 90.672,965 129.482,966 25.64,967 65.032,968 18.011,969 102.481,970 129.482,971 120.491,972 90.672,973 0.592,974 0.338,975 0.161,976 0.087,977 13,978 7,979 0.091,980 3,982 1,983 3.073,984 131.415,986 11,987 80.711,993 13.369,994 5.284,995 3.034,997 120.491,998 7.679,1001 5.298,1003 2.311,1005 60.694,1006 340.645,1007 27.5,1013 22.734,1017 -1.445,1020 32.713,1021 35.827,1022 0.316,1023 0.733,1024 0.831,1025 0.941,1026 0.941,1027 0.941,1028 4.572,1029 1,1030 5.407,1031 2.707,1032 4.043,1033 4.63,1034 1.997,1035 6.188,1036 4.034,1037 5.802,1038 -0.21,1039 6.965,1040 2.323,1041 3.761,1042 4.527,1044 7.024,1045 3.753,1046 7.115,1047 -0.445,1048 8.617,1049 -0.536,1050 5.624,1051 6.805,1052 2.487,1053 10.051,1054 5.606,1055 8.46,1056 -0.748,1057 10.317,1058 -1.056,1059 6.089,1060 7.461,1062 11.637,1063 6.075,1064 9.83,1065 -1,1066 12.047,1067 -1.904,1068 7.48,1069 9.251,1070 3.063,1071 14.174,1072 7.457,1073 11.22,1074 -1,1075 13.796,1076 -2,1077 8.271,1078 10.256,1080 16.08,1081 8.251,1082 12.623,1083 -1,1084 15.558,1085 -2.449,1086 9.473,1087 11.834,1088 3.7,1089 18.425,1090 9.447,1091 2.998,1092 -1.43,1093 17.33,1094 -2.672,1095 10.412,1096 13.014,1098 20.483,1099 10.39,1100 2.811,1101 9.304,1102 19.108,1103 -4.255,1104 11.537,1105 14.491,1106 4.375,1107 22.748,1108 11.51,1109 2.462,1110 8.472,1111 20.892,1112 4.035,1113 12.547,1114 15.763,1116 24.881,1117 12.522,1118 2.125,1119 7.371,1120 22.68,1121 3.791,1122 13.641,1123 17.191,1124 5.073,1125 27.114,1126 13.613,1127 1.381,1128 6.272,1129 24.471,1130 3.094,1131 14.685,1132 18.511,1134 29.284,1135 14.659,1136 1.247,1137 3.278,1138 26.266,1139 2.812,1140 15.768,1141 19.915,1142 5.783,1143 31.505,1144 15.74,1145 1.043,1146 3.27,1147 28.063,1148 1.944,1149 16.83,1150 21.262,1152 33.696,1153 16.803,1154 3151,1155 5947,1156 12.542,1157 21.392,1158 30.805,1159 31.777,1160 31.701,1161 30.164,1162 30.134,1163 40.567,1164 4.99,1165 85.991,1166 30.015,1167 5.204,1168 5.597,1169 5.781,1170 5.018,1171 4.998,1172 7.035,1173 2.873,1174 15.883,1175 4.999,1176 11.715,1177 1.54,1178 1.589,1179 1.585,1180 1.508,1181 1.507,1182 2.028,1183 0.249,1184 4.3,1185 1.501,1186 3.996,1187 4.009,1188 3.955,1189 3.879,1190 7.475,1191 3.89,1192 3.893,1193 3.908,1194 3.844,1195 3.792,1196 7.429,1197 3.804,1198 3.389,1199 3.415,1200 3.337,1201 3.148,1202 6.351,1203 3.186,1204 3.229,1205 3.232,1206 3.16,1207 2.989,1208 5.008,1209 3.023,1210 3.095,1211 3.201,1212 2.821,1213 2.883,1214 4.709,1215 2.853,1216 2.91,1217 2.99,1218 2.741,1219 2.739,1220 3.923,1221 2.73,1222 2.689,1223 2.739,1224 2.517,1225 2.419,1226 3.878,1227 2.438,1228 2.575,1229 2.622,1230 2.429,1231 2.304,1232 3.702,1233 2.336,1234 0.218,1235 0.18,1236 0.312,1237 0.2,1238 0.15,1239 4.369,1240 0.202,1241 3.597,1242 0.072,1243 6.233,1244 0.465,1245 3.999,1246 0.15,1247 2.998,1248 4.035,1249 1.437,1250 9.304,1251 2.999,1252 1.905,1253 1.883,1254 2.003,1255 2.01,1256 1.087,1257 2.006,1258 1.659,1259 1.622,1260 1.853,1261 1.788,1262 0.98,1263 1.81,1264 1.481,1265 1.475,1266 1.629,1267 1.729,1268 0.662,1269 1.682,1270 1.152,1271 1.132,1272 1.448,1273 1.45,1274 0.467,1275 1.437,1276 1.075,1277 1.006,1278 1.248,1279 1.362,1280 0.232,1281 1.339,1282 0.903,1283 0.832,1284 1.169,1285 1.142,1286 0.222,1287 1.152,1288 0.599,1289 0.54,1290 0.902,1291 0.895,1293 0.907,1294 0.497,1295 0.449,1296 0.817,1297 0.822,1299 0.834,1300 3.714,1302 5.03,1303 2.398,1304 6.518,1305 4.727,1306 8.076,1307 6.783,1308 9.672,1310 3.623,1314 8.869,1317 2.598,1326 21.041,1327 50.591,1328 117.271,1329 132.881,1330 150.49,1331 150.49,1332 150.49,1333 38.775,1334 6.087,1335 79.54,1336 79.54,1337 11,1338 11.938,1339 3.807,1340 3.087,1341 33.732,1342 58,1343 45,1344 0.294,1345 132.564,1346 231.92,1347 315.216,1348 2798,1350 13.991,1351 0.736,1352 0.556,1353 13.991,1354 10.559,1355 8.969,1356 0.448,1357 0.284,1358 5.601,1359 8.572,1360 5.399,1361 4.528,1362 8.969,1363 5.689,1364 8.436,1365 0.301,1366 0.15,1367 8.436,1368 4.19,1369 6.597,1370 0.194,1371 0.081,1372 6.597,1373 2.757,1374 4.851,1375 0.121,1376 0.04,1377 4.851,1378 1.608,1379 3.737,1380 0.083,1381 0.022,1382 3.737,1383 0.983,1384 0.455,1385 56.772,1386 0.282,1387 19.007,1388 0.817,1389 96,1390 353.689,1391 108.904,1392 334.439,1393 440.05,1394 308,1395 110,1396 313.829,1397 121.799,1398 314.752,1399 454.58,1400 294,1401 5.183}
{0 CHEMBL1450564,1 1.79,2 7.938,3 3.83,4 14.665,5 76.821,6 10.697,7 0.294,8 3.317,9 3.373,10 3.382,11 3.179,12 4.489,13 3.031,14 3.74,15 3.827,16 3.809,17 3.495,18 4.896,19 3.31,20 3.708,21 3.846,22 3.397,23 3.285,24 4.941,25 3.115,26 3.661,27 3.808,28 3.241,29 3.189,30 4.81,31 3.009,32 3.563,33 3.716,34 3.041,35 3.07,36 4.697,37 2.889,38 3.468,39 3.61,40 3.063,41 2.957,42 4.651,43 2.782,44 3.318,45 3.463,46 3.343,47 2.964,48 4.498,49 2.757,50 3.209,51 3.351,52 3.133,53 2.83,54 4.433,55 2.592,56 0.013,57 0.282,58 2.165,59 2.024,60 2.74,61 2.41,62 0.092,63 0.538,64 14.616,65 5.316,66 5.285,67 4.387,68 0.107,69 0.495,70 9.701,71 4.312,72 14.102,73 4.395,74 0.13,75 0.515,76 12.8,77 4.801,78 13.115,79 3.97,80 0.073,81 0.416,82 8.853,83 3.839,84 11.382,85 3.868,86 0.127,87 0.391,88 8.342,89 3.611,90 21.366,91 3.111,92 0.073,93 0.358,94 10.221,95 3.673,96 6.936,97 3.08,98 0.074,99 0.316,100 8.689,101 3.195,102 11.156,103 2.568,104 6,105 22,106 0.356,107 0.709,108 0.833,109 0.887,110 0.887,111 0.887,112 2.85,113 1.32,114 -3.07,115 -3.07,116 -2.95,120 44,125 1,136 3,139 1,143 2,152 1,153 1,159 1,160 1,174 3,177 4,185 6,188 1,189 2,197 4,201 3,209 5,214 1,222 3,227 2,235 1,240 3,247 2,252 1,260 3,271 1,274 260,275 10.939,276 10.939,277 10.939,278 10.939,279 10.939,280 9.604,281 5.814,282 6.634,283 11.696,284 8.338,285 8.338,286 8.338,287 8.338,288 8.338,289 6.258,290 4.702,291 3.085,292 9.444,293 2.854,294 1.081,295 0.46,296 0.19,297 0.19,298 0.19,299 3.501,306 1,307 1,308 265,309 2.449,312 95.253,320 1.203,321 11.469,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 33.5,333 127,334 4.297,335 5.104,336 6.142,337 3.846,338 2.933,339 3.716,340 5.661,341 9.066,342 2.689,343 3.961,344 4.186,345 5.352,346 3.449,347 2.539,348 3.531,349 2.925,350 6.998,351 2.295,352 3.458,353 3.055,354 5.067,355 2.887,356 2.057,357 2.628,358 0.761,359 5.931,360 1.662,361 3.093,362 2.55,363 4.212,364 2.518,365 1.552,366 2.179,368 3.825,369 1.472,370 2.768,371 2.372,372 3.584,373 2.212,374 1.27,375 1.752,377 2.89,378 1.172,379 2.297,380 1.802,381 3.17,382 1.763,383 0.826,384 1.1,386 1.877,387 0.759,388 2.118,389 1.415,390 3,391 1.463,392 0.618,393 0.927,395 1.372,396 0.507,397 1.61,398 1.166,399 2.697,400 1.14,401 0.387,402 0.424,404 0.548,405 0.286,406 1.219,407 0.967,408 2.521,409 0.782,410 -0.151,411 -0.205,413 -0.372,414 -0.14,415 0.8,416 0.618,417 1.842,418 0.312,419 -0.688,420 -0.974,422 -1.593,423 -0.654,424 0.255,425 0.35,426 1.628,427 -0.187,428 -1.08,429 -1.205,431 -2.576,432 -0.884,433 -0.069,434 -0.36,435 1.396,436 -0.448,437 -1.341,438 -1.845,440 -3.066,441 -1.226,442 -0.118,443 -1.186,444 1.042,445 -0.664,446 -1.618,447 -1.877,449 -4.271,450 -1.285,451 -0.316,452 -1.288,453 1,454 -0.763,455 -1.634,456 -2.339,458 -4.372,459 -1.347,460 -0.459,461 -1.618,462 0.541,463 -0.955,464 -1.821,465 -2.427,466 -1.186,467 -4.771,468 -1.666,469 8.733,470 0.546,471 0.294,472 0.018,473 19.25,474 1.203,475 10,476 0.625,477 9.25,478 0.578,479 12.278,480 0.767,481 15.867,482 0.635,483 9.491,484 0.593,485 3.264,486 0.204,487 4.528,488 0.283,489 0.095,491 0.229,496 0.576,497 0.833,498 0.716,499 0.7,500 0.554,501 0.721,502 0.617,503 1.187,504 1.021,505 1.14,506 0.638,507 0.913,508 0.81,509 1.002,510 0.922,511 0.944,512 0.78,513 0.986,514 1.224,515 1.01,516 1.201,517 1.143,518 1.092,519 1.086,520 1.094,521 1.046,522 0.967,523 1,524 1.058,525 1.139,526 1.834,527 0.995,528 0.984,529 0.908,530 2.145,531 0.989,532 0.845,533 0.921,534 0.705,535 0.813,536 0.856,537 0.739,538 1.506,539 0.744,540 0.829,541 0.757,542 1.515,543 0.864,544 3,545 0.02,546 1.333,547 1.139,548 0.455,549 0.216,550 0.149,551 0.144,552 0.081,553 0.025,554 2151,555 7856,556 2.03,557 36,559 8,560 1,567 1.543,568 1.92,569 2.999,570 -0.673,574 1,575 44.758,576 1.79,577 3.563,578 4.183,579 4.454,580 4.454,581 4.454,582 2.483,583 3.5,584 3.973,585 3.132,586 375.82,587 6.653,588 3366.26,590 1,592 1,593 116.096,594 1.299,595 3.94,596 0.176,597 0.01,598 0.061,599 0.067,600 0.033,601 0.018,602 0.014,603 0.012,604 0.009,605 0.006,606 0.405,607 0.83,608 1,609 0.875,610 66.06,611 -0.016,612 0.008,613 0.035,614 0.071,615 -0.066,616 0.044,617 0.146,618 -0.214,619 0.047,620 -0.124,621 0.009,622 -0.017,623 0.143,624 -0.056,625 -0.074,626 -0.074,627 0.157,628 -0.08,629 -0.183,630 0.014,631 -0.249,632 -0.192,633 -0.103,634 -0.153,635 -0.131,636 -0.154,637 -0.158,638 -0.153,639 -0.029,640 -0.205,641 -0.324,642 -0.053,643 -0.106,644 0.009,645 -0.394,646 -0.061,647 0.167,648 0.107,649 0.346,650 0.213,651 0.098,652 0.243,653 -0.186,654 0.268,655 0.206,656 0.274,657 -0.079,658 0.106,659 1.639,660 4.471,661 0.625,662 10.656,663 1.008,664 1.085,665 1.841,666 3.39,667 0.818,668 2.89,669 3.135,670 3.332,671 3.497,672 3.367,673 3.258,674 3.178,675 3.219,676 3.296,677 3.219,678 4.887,679 0.736,680 267.42,681 2.89,682 4.369,683 5.176,684 6.009,685 6.832,686 7.668,687 8.497,688 9.334,689 10.166,690 11.004,691 4,700 1,709 3,713 1,714 1,716 5,738 25,739 9,741 17,743 26,744 11,745 4,748 6,752 2,753 2,768 10,769 1,772 4,778 1,780 3,781 1,782 3,786 1,789 9,790 2,792 5,793 3,797 1,803 1,804 1,822 2,842 1,845 4,855 2,856 1,857 3,859 1,862 16,873 2,880 1,886 4,889 1,893 8.333,894 4.867,895 3.694,896 1.288,898 2.32,899 1.407,900 0.971,901 4.158,902 8.02,903 3.199,904 3.695,905 4.195,906 4.655,907 4.768,908 4.996,909 5.31,910 5.682,911 6.019,912 6.262,913 1,914 17,915 5.886,917 2.394,918 7.76,919 11.219,921 8.763,924 2.26,925 36.167,926 0.003,929 105.94,930 165.551,931 16.786,933 25.145,935 95.717,936 69.834,937 131.085,938 16.786,939 7.19,941 55.03,942 31.4,943 16.786,944 13.13,945 189.886,947 105.94,948 86.62,949 25.145,950 95.717,952 105.94,953 25.145,956 16.786,957 38.649,958 31.185,959 95.717,960 105.94,961 41.93,962 165.551,965 105.94,966 103.331,967 62.221,969 41.93,970 105.94,971 41.93,972 165.551,973 0.561,974 0.327,975 0.17,976 0.072,977 10,978 4,979 0.115,980 3,982 1,983 2.977,984 98.234,986 10,987 64,989 3,993 11.838,994 5.62,995 3.177,997 41.93,998 6.049,1002 1.665,1003 1.17,1006 313.422,1007 23.5,1013 11.471,1015 5.604,1016 4.213,1017 1.378,1020 25.193,1021 27.129,1022 0.386,1023 0.767,1024 0.901,1025 0.959,1026 0.959,1027 0.959,1028 4.385,1029 0.387,1030 5.118,1031 1.372,1032 3.807,1033 4.376,1034 4.366,1035 5.832,1036 3.593,1037 5.568,1038 -0.151,1039 6.616,1040 0.548,1041 3.219,1042 3.922,1043 3.871,1044 6.529,1045 2.906,1046 6.845,1047 -0.688,1048 8.211,1049 -0.372,1050 5.303,1051 6.441,1052 7.519,1053 9.565,1054 4.905,1055 8.161,1056 -1.08,1057 9.864,1058 -1.593,1059 5.602,1060 6.868,1061 7.82,1062 11.123,1063 5.084,1064 9.507,1065 -1.341,1066 11.555,1067 -2.576,1068 7.077,1069 8.745,1070 10.835,1071 13.618,1072 6.511,1073 10.874,1074 -1.618,1075 13.27,1076 -3.066,1077 7.781,1078 9.59,1079 11.543,1080 15.534,1081 7.096,1082 12.257,1083 -1.634,1084 15.003,1085 -4.271,1086 9.011,1087 11.179,1088 14.209,1089 17.842,1090 8.28,1091 2.933,1092 -1.821,1093 16.75,1094 -4.372,1095 9.905,1096 12.237,1097 15.17,1098 19.916,1099 9.061,1100 2.539,1101 9.066,1102 18.508,1103 -4.771,1104 11.033,1105 13.685,1106 17.609,1107 22.155,1108 10.135,1109 2.057,1110 6.998,1111 20.274,1112 3.716,1113 12.016,1114 14.855,1115 18.745,1116 24.3,1117 11.013,1118 1.552,1119 5.931,1120 22.047,1121 3.531,1122 13.104,1123 16.232,1124 21.024,1125 26.514,1126 12.037,1127 1.27,1128 3.825,1129 23.826,1130 2.628,1131 14.13,1132 17.46,1133 22.29,1134 28.69,1135 12.964,1136 0.826,1137 2.89,1138 25.609,1139 2.179,1140 15.203,1141 18.801,1142 24.448,1143 30.897,1144 13.966,1145 0.618,1146 1.877,1147 27.398,1148 1.752,1149 16.25,1150 20.06,1151 25.814,1152 33.088,1153 14.919,1154 2178,1155 4277,1156 11.326,1157 20.449,1158 25.087,1159 28.823,1160 25.035,1161 24.248,1162 24.365,1163 32.512,1164 18.694,1165 65.015,1166 21.682,1167 5.13,1168 7.068,1169 5.797,1170 4.956,1171 4.933,1172 6.524,1173 10.697,1174 15.102,1175 4.633,1176 6.649,1177 1.476,1178 1.695,1179 1.473,1180 1.426,1181 1.433,1182 1.912,1183 1.1,1184 3.824,1185 1.275,1186 3.905,1187 3.915,1188 4.226,1189 3.938,1190 7.427,1191 3.862,1192 3.754,1193 3.758,1194 4.149,1195 3.744,1196 4.756,1197 3.68,1198 3.332,1199 3.371,1200 3.564,1201 3.326,1202 4.624,1203 3.241,1204 3.153,1205 3.21,1206 3.304,1207 3.067,1208 4.197,1209 2.987,1210 2.657,1211 2.682,1212 2.707,1213 2.561,1214 3.811,1215 2.493,1216 2.611,1217 2.645,1218 2.682,1219 2.376,1220 3.389,1221 2.392,1222 2.376,1223 2.449,1224 2.575,1225 2.348,1226 3.113,1227 2.231,1228 2.096,1229 2.15,1230 2.136,1231 2.051,1232 2.784,1233 1.968,1234 0.253,1235 0.3,1236 0.361,1237 0.226,1238 0.173,1239 4.297,1240 0.219,1241 5.104,1242 0.333,1243 6.142,1244 0.533,1245 3.846,1246 0.158,1247 2.933,1248 3.716,1249 5.661,1250 9.066,1251 2.689,1252 1.724,1253 1.702,1254 1.83,1255 1.81,1256 0.918,1257 1.824,1258 1.464,1259 1.43,1260 1.62,1261 1.579,1262 0.7,1263 1.599,1264 1.359,1265 1.353,1266 1.529,1267 1.454,1268 0.668,1269 1.54,1270 1.309,1271 1.314,1272 1.324,1273 1.384,1274 0.545,1275 1.428,1276 0.956,1277 0.944,1278 0.972,1279 1.11,1280 0.13,1281 1.129,1282 0.859,1283 0.805,1284 0.781,1285 0.997,1286 0.096,1287 1.05,1288 0.266,1289 0.206,1290 0.588,1291 0.563,1293 0.592,1296 0.352,1297 0.121,1299 0.213,1300 3.555,1302 4.812,1303 3.045,1304 6.232,1305 5.283,1306 7.726,1307 7.248,1308 9.262,1310 1.92,1319 2.696,1326 18.405,1327 44.758,1328 89.077,1329 104.587,1330 111.342,1331 111.342,1332 111.342,1333 21.214,1334 5.7,1335 29.96,1336 111.74,1337 10,1338 11.572,1339 3.322,1340 2.907,1341 26.212,1342 47,1343 39,1344 0.279,1345 128.118,1346 222.72,1347 304.369,1348 1781,1350 11.38,1351 0.711,1352 0.687,1353 12.441,1354 10.994,1355 7.792,1356 0.458,1357 0.44,1358 4.788,1359 6.293,1360 4.343,1361 3.643,1362 9.212,1363 7.482,1364 6.564,1365 0.298,1366 0.268,1367 8.468,1368 5.892,1369 5.385,1370 0.199,1371 0.167,1372 7.337,1373 4.522,1374 4.178,1375 0.131,1376 0.094,1377 5.973,1378 3.011,1379 2.555,1380 0.091,1381 0.058,1382 3.863,1383 1.638,1384 0.439,1385 61.938,1386 0.297,1387 16.612,1388 0.747,1389 78,1390 251.962,1391 156.807,1392 308.003,1393 410.67,1394 288,1395 88,1396 245.31,1397 142.6,1398 293.037,1399 425.16,1400 272,1401 6.069}
{0 CHEMBL1450602,1 1.556,2 10.964,3 4.31,4 18.573,5 103.645,6 8.254,7 0.688,8 3.949,9 4.043,10 3.614,11 3.532,12 5.112,13 3.54,14 4.451,15 4.571,16 4,17 3.919,18 5.635,19 3.915,20 4.611,21 4.768,22 3.983,23 3.991,24 5.759,25 3.958,26 4.675,27 4.871,28 3.854,29 3.92,30 5.787,31 3.87,32 4.596,33 4.818,34 3.78,35 3.831,36 5.717,37 3.768,38 4.44,39 4.596,40 3.792,41 3.805,42 5.673,43 3.769,44 4.516,45 4.703,46 3.695,47 3.84,48 5.635,49 3.764,50 4.517,51 4.737,52 3.638,53 3.755,54 5.508,55 3.675,56 0.06,57 0.632,58 7.37,59 3.829,60 6.686,61 4.291,62 0.329,63 1.019,64 14.253,65 6.527,66 22.011,67 7.447,68 0.206,69 1.218,70 17.585,71 7.71,72 24.771,73 9.201,74 0.364,75 1.303,76 21.301,77 7.844,78 38.651,79 9.385,80 0.473,81 1.156,82 21.82,83 8.224,84 46.029,85 10.699,86 0.365,87 0.983,88 15.674,89 6.627,90 41.797,91 7.791,92 0.343,93 1.081,94 17.656,95 7.263,96 41.107,97 8.963,98 0.22,99 1.042,100 19.586,101 7.994,102 26.689,103 10.44,104 5,105 46,106 0.262,107 0.604,108 0.746,109 0.878,110 0.901,111 0.901,112 3.375,113 0.838,114 -4.35,115 -4.29,116 -4.04,120 48.9,121 1,127 1,143 10,144 3,145 3,147 1,153 1,159 1,162 1,174 11,176 1,177 5,180 2,182 5,185 9,189 10,194 9,197 6,201 7,206 4,209 5,213 1,214 4,217 2,218 1,219 1,222 13,226 1,227 2,230 1,232 1,235 15,239 1,240 3,243 1,245 3,247 9,252 7,257 4,260 5,264 7,269 1,271 4,274 1238,275 19.256,276 19.256,277 19.256,278 19.256,279 19.256,280 16.59,281 14.714,282 11.197,283 19.535,284 15.819,285 15.819,286 15.819,287 15.819,288 15.819,289 11.692,290 17.742,291 5.346,292 16.285,293 3.936,294 1.912,295 1.066,296 0.283,297 0.15,298 0.15,299 4.087,306 1,307 1,308 697,309 2.915,312 124.797,313 236.603,316 228.478,320 1.755,321 24.616,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.5,333 307,334 4.52,335 3.589,336 6.397,337 4.054,338 3.089,339 4.442,340 1.392,341 9.962,342 2.99,343 4.356,344 3.278,345 6.27,346 3.966,347 2.996,348 3.996,349 1.058,350 9.483,351 2.905,352 4.23,353 3.09,354 6.117,355 3.807,356 2.837,357 3.901,358 0.532,359 8.962,360 2.751,361 3.897,362 2.889,363 5.898,364 3.55,365 2.565,366 3.269,368 8.179,369 2.501,370 3.723,371 2.435,372 5.755,373 3.348,374 2.363,375 3.126,377 7.65,378 2.323,379 3.032,380 2.082,381 4.434,382 2.578,383 1.597,384 2.298,386 4.365,387 1.56,388 3.023,389 1.987,390 4.414,391 2.508,392 1.534,393 2.272,395 4.312,396 1.498,397 2.958,398 1.668,399 4.33,400 2.495,401 1.532,402 2.099,404 4.124,405 1.474,406 2.885,407 1.606,408 4.296,409 2.477,410 1.523,411 2.022,413 3.9,414 1.438,415 2.714,416 1.537,417 3.937,418 2.265,419 1.26,420 1.733,422 3.144,423 1.259,424 2.641,425 1.532,426 3.591,427 2.133,428 1.162,429 1.708,431 2.827,432 1.125,433 2.174,434 1.184,435 3.428,436 2.007,437 1,438 1.139,440 2.32,441 1.004,442 1.847,443 0.776,444 3.042,445 1.343,446 0.409,447 0.521,449 1.007,450 0.378,451 1.634,452 0.583,453 3,454 1.295,455 0.347,456 0.484,458 0.86,459 0.328,460 1.46,461 0.347,462 2.833,463 1.127,464 0.134,465 0.167,467 0.316,468 0.132,469 13.2,470 0.471,471 0.674,472 0.024,473 41.75,474 1.491,475 23,476 0.821,477 18.75,478 0.67,479 18.806,480 0.672,481 28.2,482 0.627,483 30.226,484 1.08,485 8.399,486 0.3,487 5.271,488 0.188,489 0.063,491 0.379,496 0.832,497 1.12,498 0.684,499 0.942,500 0.66,501 0.807,502 0.892,503 1.051,504 0.785,505 0.914,506 0.654,507 0.853,508 0.935,509 1.306,510 0.991,511 1.154,512 0.891,513 1.093,514 1.205,515 1.11,516 1.188,517 1.034,518 1.301,519 1.072,520 0.741,521 0.74,522 0.829,523 0.802,524 1.164,525 0.822,526 0.98,527 1.041,528 1.004,529 0.993,530 1.664,531 1.004,532 0.868,533 0.968,534 1.154,535 1.049,536 1.157,537 1.13,538 0.762,539 1.054,540 0.881,541 1.066,542 0.758,543 1.013,544 5.5,545 0.099,546 3.556,547 1.611,548 1.729,549 0.785,550 0.546,551 0.442,552 0.288,553 0.225,554 11032,555 29689,556 2.2,557 37.8,558 3,559 10,560 2,562 2,567 1.709,568 2.1,569 3.467,570 0.212,572 1,575 70.029,576 1.556,577 3.58,578 4.426,579 5.208,580 5.342,581 5.342,582 2.923,583 4.209,584 4.782,585 3.622,586 1368.96,587 8.306,588 18048.7,590 1,592 1,593 247.133,594 1.264,595 4.757,596 0.172,597 0.005,598 0.077,599 0.037,600 0.047,601 0.022,602 0.015,603 0.014,604 0.01,605 0.009,606 0.407,607 0.33,608 0.88,609 0.444,610 140.758,611 -0.068,612 -0.064,613 0.05,614 -0.015,615 -0.103,616 0.034,617 0.116,618 -0.028,619 0.052,620 0.028,621 0.052,622 0.02,623 -0.097,624 -0.278,625 -0.114,626 -0.211,627 -0.017,628 -0.177,629 -0.213,630 -0.05,631 -0.213,632 -0.104,633 -0.163,634 -0.139,635 0.182,636 0.238,637 0.212,638 0.19,639 0.136,640 0.205,641 0.046,642 -0.048,643 -0.089,644 -0.032,645 -0.078,646 -0.078,647 -0.031,648 0.038,649 -0.217,650 -0.083,651 -0.088,652 -0.164,653 0.029,654 -0.128,655 0.14,656 -0.051,657 0.052,658 0.043,659 1.872,660 5.724,661 0.857,662 24.73,663 1.011,664 1.112,665 3.123,666 9.753,667 0.705,668 3.497,669 3.85,670 4.159,671 4.431,672 4.654,673 4.745,674 4.868,675 5.011,676 5.043,677 5.118,678 6.661,679 0.687,680 371.42,681 3.497,682 5.056,683 5.927,684 6.815,685 7.698,686 8.588,687 9.475,688 10.365,689 11.254,690 12.145,691 6.7,698 1,699 1,701 1,708 2,709 10,710 1,711 1,714 7,716 22,723 1,735 2,738 45,739 23,740 3,741 32,743 49,744 22,745 19,746 8,747 10,748 1,752 5,753 7,759 1,768 20,769 2,772 1,778 1,782 1,786 1,789 17,790 5,791 2,792 6,794 1,797 3,803 0.6,804 3,822 2,823 3,826 2,855 3,859 1,862 28,869 1,871 1,872 2,886 6.7,889 1,891 2,893 13.333,894 8.533,895 5.972,896 2.593,898 4.262,899 1.533,900 1.056,901 4.118,902 12.26,903 3.807,904 4.469,905 5.108,906 5.717,907 6.276,908 6.604,909 7.018,910 7.449,911 7.733,912 8.099,913 1,914 44,915 10.328,917 4.508,918 7.72,919 19.63,921 16.373,924 2.22,925 62.167,928 1,929 176.567,930 144.359,931 51.582,933 47.145,936 144.359,937 223.711,938 51.582,939 8.825,940 24.661,941 94.762,942 48.963,943 63.73,944 25.686,945 153.024,947 176.567,948 195.941,949 47.145,952 176.567,953 47.145,956 54.744,957 124.412,958 16.786,960 176.567,961 98.727,962 144.359,965 176.567,966 40.771,967 103.588,968 34.796,969 63.93,970 176.567,971 98.727,972 144.359,973 0.591,974 0.352,975 0.189,976 0.102,977 25,978 10,979 0.061,980 3,981 2,982 1.167,983 4.091,984 253.181,985 0.167,986 24,987 134.606,993 16.99,994 6.786,995 3.187,996 1.882,997 81.941,998 18.926,999 4.632,1000 3.318,1003 5.12,1005 34.796,1006 419.652,1007 44,1013 12.724,1017 -0.205,1020 45.473,1021 50.03,1022 0.283,1023 0.652,1024 0.806,1025 0.948,1026 0.973,1027 0.973,1028 5.047,1029 1.532,1030 5.916,1031 4.312,1032 4.533,1033 5.156,1034 2.038,1035 6.737,1036 4.476,1037 6.273,1038 1.523,1039 7.48,1040 4.124,1041 4.111,1042 4.997,1044 7.609,1045 4.028,1046 7.594,1047 1.26,1048 9.141,1049 3.9,1050 6.142,1051 7.421,1052 2.413,1053 10.703,1054 6.026,1055 8.952,1056 1.162,1057 10.856,1058 3.144,1059 6.553,1060 8.094,1062 12.379,1063 6.402,1064 10.34,1065 1,1066 12.606,1067 2.827,1068 8.031,1069 9.974,1070 2.911,1071 14.955,1072 7.855,1073 11.75,1074 0.409,1075 14.378,1076 2.32,1077 8.813,1078 11.037,1080 16.953,1081 8.598,1082 13.175,1083 0.347,1084 16.165,1085 1.007,1086 10.068,1087 12.686,1088 3.474,1089 19.338,1090 9.829,1091 3.089,1092 0.134,1093 17.963,1094 0.86,1095 11.02,1096 13.943,1098 21.478,1099 10.742,1100 2.996,1101 9.962,1102 19.768,1103 0.316,1104 12.182,1105 15.487,1106 4.077,1107 23.788,1108 11.877,1109 2.837,1110 9.483,1111 21.579,1112 4.442,1113 13.213,1114 16.845,1116 25.993,1117 12.87,1118 2.565,1119 8.962,1120 23.393,1121 3.996,1122 14.336,1123 18.342,1124 4.704,1125 28.275,1126 13.966,1127 2.363,1128 8.179,1129 25.211,1130 3.901,1131 15.405,1132 19.751,1134 30.513,1135 14.998,1136 1.597,1137 7.65,1138 27.032,1139 3.269,1140 16.514,1141 21.23,1142 5.345,1143 32.785,1144 16.078,1145 1.534,1146 4.365,1147 28.855,1148 3.126,1149 17.601,1150 22.668,1152 35.04,1153 17.13,1154 9984,1155 16542,1156 22.076,1157 31.71,1158 48.939,1159 50.306,1160 49.317,1161 48.654,1162 48.695,1163 66.354,1164 5.963,1165 142.826,1166 47.331,1167 5.382,1168 5.589,1169 6.079,1170 5.103,1171 5.089,1172 7.442,1173 2.783,1174 16.638,1175 4.99,1176 9.318,1177 1.529,1178 1.572,1179 1.541,1180 1.52,1181 1.522,1182 2.074,1183 0.186,1184 4.463,1185 1.479,1186 4.128,1187 4.167,1188 4.093,1189 4.018,1190 7.429,1191 4.031,1192 3.974,1193 3.988,1194 3.936,1195 3.873,1196 5.083,1197 3.884,1198 3.87,1199 3.894,1200 3.816,1201 3.805,1202 4.996,1203 3.804,1204 3.446,1205 3.473,1206 3.395,1207 3.252,1208 4.696,1209 3.27,1210 3.371,1211 3.416,1212 3.279,1213 3.158,1214 4.326,1215 3.197,1216 3.122,1217 3.186,1218 2.999,1219 2.919,1220 4.291,1221 2.905,1222 3.08,1223 3.159,1224 2.894,1225 2.88,1226 3.976,1227 2.899,1228 2.91,1229 2.977,1230 2.79,1231 2.776,1232 3.868,1233 2.769,1234 0.141,1235 0.112,1236 0.2,1237 0.127,1238 0.097,1239 4.52,1240 0.139,1241 3.589,1242 0.043,1243 6.397,1244 0.311,1245 4.054,1246 0.093,1247 3.089,1248 4.442,1249 1.392,1250 9.962,1251 2.99,1252 1.947,1253 1.922,1254 2.041,1255 2.047,1256 1.173,1257 2.045,1258 1.908,1259 1.88,1260 2.008,1261 2.003,1262 1.095,1263 2.006,1264 1.857,1265 1.842,1266 1.942,1267 1.942,1268 1.061,1269 1.942,1270 1.397,1271 1.338,1272 1.59,1273 1.626,1274 0.67,1275 1.608,1276 1.195,1277 1.167,1278 1.44,1279 1.523,1280 0.579,1281 1.489,1282 1.136,1283 1.101,1284 1.368,1285 1.443,1286 0.385,1287 1.417,1288 1.07,1289 0.988,1290 1.29,1291 1.31,1292 0.297,1293 1.33,1294 0.942,1295 0.888,1296 1.127,1297 1.127,1298 0.19,1299 1.131,1300 4.174,1302 5.517,1303 3.045,1304 7.048,1305 5.352,1306 8.662,1307 7.413,1308 10.316,1310 1.956,1315 0.18,1317 2.985,1318 10.65,1326 30.896,1327 70.029,1328 161.085,1329 199.159,1330 234.379,1331 240.379,1332 240.379,1333 36.537,1334 7.998,1335 76.24,1336 76.24,1337 28,1338 12.673,1339 4.585,1340 3.7,1341 37.738,1342 111,1343 96,1344 0.162,1345 185.005,1346 314.09,1347 443.173,1348 36668,1350 19.087,1351 0.682,1352 0.541,1353 19.087,1354 15.153,1355 13.67,1356 0.427,1357 0.279,1358 8.811,1359 13.171,1360 8.605,1361 7.124,1362 13.67,1363 8.94,1364 12.584,1365 0.274,1366 0.145,1367 12.584,1368 6.654,1369 11.157,1370 0.177,1371 0.076,1372 11.157,1373 4.783,1374 9.298,1375 0.112,1376 0.039,1377 9.298,1378 3.226,1379 7.549,1380 0.073,1381 0.021,1382 7.549,1383 2.186,1384 0.255,1385 85.638,1386 0.213,1387 26.812,1388 0.439,1389 156,1390 463.517,1391 171.738,1392 445.65,1393 622.47,1394 420,1395 187,1396 470.869,1397 203.268,1398 477.162,1399 704.27,1400 449,1401 4.154}
{0 CHEMBL1451239,1 1.827,2 11.28,3 2.141,4 4.584,5 89.459,6 9.198,7 0.593,8 3.773,9 3.879,10 3.494,11 3.243,12 5.145,13 3.289,14 4.202,15 4.327,16 3.825,17 3.58,18 5.684,19 3.623,20 4.41,21 4.58,22 3.817,23 3.605,24 5.82,25 3.638,26 4.406,27 4.603,28 3.687,29 3.441,30 5.84,31 3.475,32 4.167,33 4.356,34 3.528,35 3.249,36 5.585,37 3.297,38 4.116,39 4.291,40 3.501,41 3.187,42 5.77,43 3.234,44 4.049,45 4.222,46 3.409,47 3.109,48 5.623,49 3.166,50 3.985,51 4.165,52 3.256,53 3.047,54 5.378,55 3.082,56 0.271,57 0.615,58 4.786,59 2.762,60 19.608,61 2.852,62 0.428,63 0.9,64 8.136,65 4.101,66 55.262,67 4.498,68 0.63,69 0.979,70 13.219,71 4.722,72 61.814,73 5.261,74 0.77,75 0.884,76 15.738,77 4.554,78 90.038,79 5.297,80 0.561,81 0.709,82 11.723,83 3.602,84 60.11,85 4.124,86 0.645,87 0.641,88 11.635,89 3.678,90 92.928,91 4.402,92 0.589,93 0.597,94 10.83,95 3.224,96 79.137,97 3.609,98 0.543,99 0.562,100 10.504,101 3.029,102 71.361,103 3.281,104 18,105 37,106 0.322,107 0.672,108 0.768,109 0.842,110 0.842,111 0.842,112 3.266,113 0.791,114 -3.33,115 -3.32,116 -3.18,120 40.5,126 1,143 7,144 1,145 2,147 2,156 1,159 1,167 4,170 1,174 5,176 2,177 5,180 1,182 2,185 4,188 2,189 13,192 1,194 3,197 3,200 3,201 9,204 3,206 1,213 3,214 2,217 1,218 1,219 1,226 2,227 4,230 3,232 3,240 8,243 3,245 2,251 1,252 6,255 1,263 3,264 3,267 2,271 2,274 891,275 16.654,276 16.654,277 16.654,278 16.654,279 16.654,280 14.099,281 15.507,282 9.89,283 16.865,284 13.333,285 13.333,286 13.333,287 13.333,288 13.333,289 9.51,290 16.36,291 4.715,292 13.669,293 3.382,294 1.396,295 0.855,296 0.432,297 0.432,298 0.432,299 3.946,305 1,306 1,307 1,308 603,309 3.606,312 58.673,313 169.111,316 114.121,320 1.709,321 37.769,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 57,333 282,334 4.462,335 3.781,336 6.247,337 3.96,338 2.991,339 4.402,340 2.612,341 9.492,342 2.894,343 4.357,344 3.599,345 6.155,346 3.903,347 2.927,348 4.077,349 1.934,350 9.036,351 2.853,352 3.961,353 2.981,354 5.753,355 3.463,356 2.492,357 3.488,358 0.148,359 7.569,360 2.427,361 3.743,362 2.95,363 5.343,364 3.41,365 2.419,366 3.023,368 6.897,369 2.372,370 3.335,371 2.178,372 4.731,373 2.905,374 1.919,375 2.601,377 5.199,378 1.887,379 3.071,380 2.016,381 4.414,382 2.558,383 1.583,384 2.298,386 4.312,387 1.536,388 3.032,389 1.926,390 4.251,391 2.5,392 1.532,393 2.224,395 4.01,396 1.481,397 2.909,398 1.532,399 3.791,400 2.348,401 1.358,402 2.007,404 2.954,405 1.343,406 2.828,407 1.398,408 3.604,409 2.222,410 1.234,411 1.971,413 2.907,414 1.216,415 2.559,416 1.316,417 3.376,418 1.988,419 1,420 1.451,422 2.25,423 0.984,424 1.847,425 1,426 3,427 1.314,428 0.347,429 0.521,431 0.86,432 0.335,433 1.401,434 0.694,435 2.842,436 1.124,437 0.16,438 0.188,440 0.376,441 0.153,442 1.084,443 0.436,444 2.391,445 0.732,446 -0.227,447 -0.285,449 -0.585,450 -0.214,451 1.051,452 0.347,453 2.309,454 0.557,455 -0.446,456 -0.604,458 -1.06,459 -0.444,460 1,461 0.191,462 2,463 0.149,464 -0.845,465 -1.203,467 -2,468 -0.829,469 11.233,470 0.449,471 0.647,472 0.026,473 36.5,474 1.46,475 20.5,476 0.82,477 16,478 0.64,479 14.452,480 0.578,481 26.567,482 0.718,483 27.6,484 1.104,485 7.653,486 0.306,487 4.371,488 0.175,489 0.119,491 0.338,496 0.543,497 0.958,498 0.617,499 0.879,500 0.62,501 0.807,502 0.638,503 1.37,504 0.738,505 1.162,506 0.507,507 1.015,508 1.016,509 1.183,510 1.053,511 1.088,512 0.873,513 1.07,514 1.142,515 0.976,516 1.147,517 0.967,518 1.071,519 1.032,520 1.076,521 0.923,522 1.046,523 0.983,524 1.1,525 0.983,526 0.901,527 1.032,528 0.906,529 1.01,530 0.869,531 0.972,532 1.2,533 1.086,534 1.051,535 0.972,536 1.258,537 0.959,538 1.397,539 1.052,540 1.222,541 0.897,542 1.484,543 0.984,544 5.5,545 0.147,546 2.667,547 1.854,548 1.076,549 0.844,550 0.346,551 0.251,552 0.19,553 0.118,554 7968,555 29786,556 2.038,557 32.4,559 9,561 1,562 2,567 1.674,568 1.899,569 3.478,570 0.431,571 1,572 1,574 1,575 67.617,576 1.827,577 3.813,578 4.354,579 4.777,580 4.777,581 4.777,582 2.869,583 3.894,584 4.621,585 3.668,586 1100.3,587 7.953,588 14179.5,589 1,590 1,592 1,593 192.75,594 1.44,595 4.569,596 0.204,597 0.008,598 0.072,599 0.053,600 0.037,601 0.034,602 0.014,603 0.011,604 0.01,605 0.006,606 0.45,607 0.33,608 1,609 0.795,610 123.615,611 0.139,612 0.243,613 0.03,614 0.117,615 -0.062,616 0.034,617 0.068,618 -0.238,619 -0.008,620 -0.168,621 0.123,622 -0.125,623 -0.149,624 -0.152,625 -0.147,626 -0.139,627 -0.079,628 -0.135,629 -0.123,630 -0.023,631 -0.101,632 -0.053,633 -0.1,634 -0.068,635 -0.089,636 0.059,637 -0.039,638 -0.067,639 -0.125,640 -0.036,641 0.186,642 -0.113,643 0.14,644 -0.046,645 0.247,646 0.017,647 -0.066,648 -0.163,649 -0.012,650 -0.028,651 -0.031,652 -0.001,653 -0.272,654 -0.137,655 -0.171,656 0.048,657 -0.303,658 -0.016,659 2.594,660 4.843,661 0.6,662 21.466,663 1.042,664 1.137,665 2.1,666 4.411,667 0.679,668 3.332,669 3.638,670 3.85,671 4.06,672 4.22,673 4.22,674 4.205,675 4.143,676 4.025,677 4.06,678 6.949,679 0.691,680 340.33,681 3.332,682 4.86,683 5.687,684 6.547,685 7.392,686 8.255,687 9.106,688 9.969,689 10.824,690 11.687,691 16.2,698 1,699 1,700 1,701 2,702 1,708 2,709 7,710 2,714 3,715 1,716 16,731 1,734 1,738 37,739 20,740 2,741 27,743 39,744 15,745 12,746 5,747 7,748 1,752 3,753 4,755 1,768 14,769 1,772 4,775 1,778 3,780 1,781 1,782 1,785 1,786 1,789 12,790 8,791 2,792 10,797 6,803 0.667,804 4,822 1,823 2,826 1,855 2,862 25,868 1,869 1,871 1,883 1,886 10.8,888 1,889 1,892 2,893 13.167,894 6.617,895 5.5,896 1.945,898 3.778,899 1.541,900 0.946,901 4.794,902 10.765,903 3.689,904 4.314,905 4.861,906 5.448,907 5.929,908 6.194,909 6.471,910 6.65,911 6.503,912 6.72,913 1,914 35,915 9.17,917 3.95,918 8.3,919 16.442,921 12.909,924 2.8,925 70,929 117.711,930 92.422,931 75.201,933 118.575,936 92.422,937 236.286,938 75.201,939 5.67,940 19.994,941 66.334,942 126.677,943 28.548,945 105.94,946 50.747,947 117.711,948 167.623,949 118.575,952 117.711,953 67.828,954 50.747,956 42.599,957 76.981,958 48.043,960 117.711,961 193.777,962 92.422,965 117.711,966 17.041,967 82.705,968 17.888,969 168.564,970 117.711,971 193.777,972 92.422,973 0.581,974 0.328,975 0.169,976 0.092,977 17,978 8,979 0.128,980 5,981 1,982 1.133,983 3.812,984 192.864,985 0.133,986 15,987 106.096,993 16.706,994 7.174,995 4.038,996 1.334,997 186.452,998 10.682,999 8.284,1003 -0.279,1004 1.236,1005 60.572,1006 403.91,1007 39,1010 -0.594,1013 33.276,1015 1.118,1016 3.677,1017 -0.485,1020 38.571,1021 42.073,1022 0.351,1023 0.732,1024 0.836,1025 0.917,1026 0.917,1027 0.917,1028 4.898,1029 1.358,1030 5.666,1031 4.01,1032 4.317,1033 5.001,1034 2.916,1035 6.431,1036 4.268,1037 6.125,1038 1.234,1039 7.201,1040 2.954,1041 3.892,1042 4.879,1043 2.675,1044 7.226,1045 3.813,1046 7.436,1047 1,1048 8.832,1049 2.907,1050 5.872,1051 7.25,1052 4.411,1053 10.277,1054 5.768,1055 8.783,1056 0.347,1057 10.517,1058 2.25,1059 6.236,1060 7.945,1061 4.71,1062 11.879,1063 6.095,1064 10.157,1065 0.16,1066 12.237,1067 0.86,1068 7.698,1069 9.796,1070 6.098,1071 14.422,1072 7.536,1073 11.553,1074 -0.227,1075 13.98,1076 0.376,1077 8.432,1078 10.882,1079 6.673,1080 16.368,1081 8.231,1082 12.966,1083 -0.446,1084 15.739,1085 -0.585,1086 9.676,1087 12.514,1088 7.88,1089 18.719,1090 9.453,1091 2.991,1092 -0.845,1093 17.511,1094 -1.06,1095 10.588,1096 13.792,1097 8.614,1098 20.82,1099 10.327,1100 2.927,1101 9.492,1102 19.291,1103 -2,1104 11.735,1105 15.327,1106 9.718,1107 23.095,1108 11.451,1109 2.492,1110 9.036,1111 21.079,1112 4.402,1113 12.734,1114 16.698,1115 10.545,1116 25.266,1117 12.413,1118 2.419,1119 7.569,1120 22.872,1121 4.077,1122 13.841,1123 18.191,1124 11.59,1125 27.512,1126 13.494,1127 1.919,1128 6.897,1129 24.67,1130 3.488,1131 14.881,1132 19.609,1133 12.472,1134 29.716,1135 14.5,1136 1.583,1137 5.199,1138 26.471,1139 3.023,1140 15.972,1141 21.084,1142 13.482,1143 31.953,1144 15.562,1145 1.532,1146 4.312,1147 28.275,1148 2.601,1149 17.034,1150 22.526,1151 14.397,1152 34.172,1153 16.591,1154 7696,1155 15041,1156 17.8,1157 25.136,1158 40.432,1159 41.941,1160 41.237,1161 39.921,1162 39.925,1163 56.504,1164 9.389,1165 111.725,1166 38.959,1167 5.303,1168 5.781,1169 5.93,1170 4.998,1171 4.991,1172 7.402,1173 4.612,1174 15.744,1175 4.894,1176 12.92,1177 1.497,1178 1.553,1179 1.527,1180 1.479,1181 1.479,1182 2.093,1183 0.348,1184 4.138,1185 1.443,1186 4.081,1187 4.132,1188 4.051,1189 3.937,1190 7.815,1191 3.955,1192 3.993,1193 4.016,1194 3.962,1195 3.868,1196 7.429,1197 3.881,1198 3.639,1199 3.69,1200 3.589,1201 3.384,1202 6.999,1203 3.423,1204 3.517,1205 3.544,1206 3.482,1207 3.148,1208 6.469,1209 3.219,1210 3.304,1211 3.374,1212 3.237,1213 2.988,1214 5.132,1215 3.051,1216 3.084,1217 3.133,1218 2.999,1219 2.893,1220 4.753,1221 2.913,1222 2.887,1223 2.952,1224 2.767,1225 2.764,1226 4.435,1227 2.755,1228 2.741,1229 2.802,1230 2.634,1231 2.482,1232 4.384,1233 2.504,1234 0.165,1235 0.14,1236 0.231,1237 0.147,1238 0.111,1239 4.462,1240 0.163,1241 3.781,1242 0.097,1243 6.247,1244 0.352,1245 3.96,1246 0.107,1247 2.991,1248 4.402,1249 2.612,1250 9.492,1251 2.894,1252 1.918,1253 1.898,1254 1.996,1255 2.086,1256 1.086,1257 2.044,1258 1.896,1259 1.869,1260 1.995,1261 1.982,1262 1.073,1263 1.988,1264 1.562,1265 1.5,1266 1.708,1267 1.885,1268 0.859,1269 1.829,1270 1.287,1271 1.242,1272 1.403,1273 1.702,1274 0.363,1275 1.597,1276 1.116,1277 1.064,1278 1.229,1279 1.508,1280 0.219,1281 1.436,1282 0.986,1283 0.933,1284 1.191,1285 1.225,1286 0.15,1287 1.21,1288 0.912,1289 0.863,1290 1.071,1291 1.078,1292 0.148,1293 1.081,1294 0.733,1295 0.649,1296 1.002,1297 0.987,1299 1.016,1300 4.007,1302 5.313,1303 2.398,1304 6.797,1305 4.727,1306 8.362,1307 6.823,1308 9.971,1314 9.647,1315 -0.146,1317 2.249,1326 25.568,1327 67.617,1328 141.098,1329 161.098,1330 176.75,1331 176.75,1332 176.75,1333 54.336,1334 6.987,1335 138.22,1336 138.22,1337 17,1338 12.237,1339 4.392,1340 3.7,1341 42.126,1342 107,1343 77,1344 0.191,1345 159.952,1346 273.04,1347 382.043,1348 10654,1350 17.811,1351 0.712,1352 0.509,1353 17.811,1354 12.734,1355 12.025,1356 0.445,1357 0.264,1358 6.963,1359 11.282,1360 6.885,1361 5.706,1362 12.025,1363 7.119,1364 10.968,1365 0.296,1366 0.135,1367 10.968,1368 5.013,1369 8.692,1370 0.189,1371 0.07,1372 8.692,1373 3.228,1374 6.925,1375 0.121,1376 0.036,1377 6.925,1378 2.072,1379 5.35,1380 0.08,1381 0.019,1382 5.35,1383 1.299,1384 0.309,1385 77.586,1386 0.237,1387 24.844,1388 0.495,1389 128,1390 509.915,1391 147.848,1392 486.105,1393 640.65,1394 446,1395 147,1396 472.942,1397 167.436,1398 465.667,1399 664.84,1400 435,1401 6.161}
{0 CHEMBL1451736,1 1.405,2 9.238,3 3.932,4 15.464,5 84.041,6 7.838,7 0.696,8 3.65,9 3.751,10 3.272,11 3.295,12 4.86,13 3.271,14 4.104,15 4.238,16 3.571,17 3.653,18 5.199,19 3.61,20 4.284,21 4.451,22 3.599,23 3.753,24 5.364,25 3.68,26 4.32,27 4.513,28 3.494,29 3.713,30 5.415,31 3.616,32 4.279,33 4.517,34 3.383,35 3.595,36 5.41,37 3.487,38 4.101,39 4.321,40 3.287,41 3.444,42 5.308,43 3.361,44 3.952,45 4.152,46 3.13,47 3.302,48 5.127,49 3.219,50 3.877,51 4.109,52 2.919,53 3.134,54 4.928,55 3.023,56 0.018,57 0.44,58 6.039,59 2.954,60 7.854,61 3.655,62 0.083,63 0.687,64 10.771,65 4.906,66 11.129,67 6.013,68 0.077,69 0.835,70 13.584,71 6.147,72 14.312,73 7.915,74 0.098,75 0.89,76 14.741,77 6.328,78 20.67,79 8.299,80 0.113,81 0.879,82 15.417,83 6.329,84 27.416,85 8.743,86 0.097,87 0.733,88 12.572,89 4.98,90 29.828,91 6.66,92 0.077,93 0.637,94 10.222,95 4.044,96 23.541,97 5.269,98 0.119,99 0.559,100 10.462,101 4.219,102 21.522,103 5.699,104 9,105 31,106 0.252,107 0.591,108 0.741,109 0.843,110 0.853,111 0.853,112 3.103,113 0.866,114 -3.93,115 -3.88,116 -3.68,120 51.4,125 1,136 1,137 1,143 8,144 3,145 1,152 1,153 1,159 1,174 12,177 3,182 3,185 14,189 4,194 3,197 13,201 3,206 2,209 9,214 4,217 1,219 1,222 8,227 5,232 2,235 7,240 2,245 2,247 7,251 1,252 1,260 6,264 1,267 1,271 2,274 577,275 14.671,276 14.671,277 14.671,278 14.671,279 14.671,280 12.554,281 7.638,282 8.69,283 14.914,284 11.23,285 11.23,286 11.23,287 11.23,288 11.23,289 7.944,290 6.995,291 3.947,292 11.53,293 3.725,294 1.828,295 0.993,296 0.422,297 0.364,298 0.364,299 3.786,305 1,306 1,307 1,308 418,309 2.915,312 44.829,313 123.161,316 84.217,320 1.32,321 11.625,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44,333 194,334 4.603,335 4.071,336 6.708,337 4.142,338 3.152,339 4.525,340 2.035,341 10.893,342 3.121,343 4.12,344 3.117,345 5.782,346 3.661,347 2.678,348 3.722,349 0.86,350 7.96,351 2.636,352 3.892,353 2.86,354 5.44,355 3.389,356 2.419,357 3.314,359 7.106,360 2.346,361 3.441,362 2.515,363 5.097,364 3.04,365 2.073,366 2.722,368 6.16,369 1.992,370 3.275,371 2.176,372 4.527,373 2.524,374 1.548,375 2.322,377 4.261,378 1.512,379 3.046,380 1.549,381 4.009,382 2.489,383 1.503,384 2.266,386 3.454,387 1.479,388 2.789,389 1.515,390 3.563,391 2.039,392 1.062,393 1.607,395 2.565,396 1.036,397 2.502,398 1.118,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.036,408 3.094,409 1.516,410 0.618,411 0.929,413 1.218,414 0.547,415 1.986,416 1,417 2.946,418 1.5,419 0.547,420 0.737,422 1.013,423 0.52,424 1.679,425 0.501,426 2.571,427 1.177,428 0.249,429 0.396,431 0.385,432 0.23,433 0.997,434 0.126,435 2.344,436 0.608,437 -0.344,438 -0.461,440 -0.63,441 -0.325,442 0.689,443 -0.458,444 2,445 0.181,446 -0.793,447 -1.108,449 -1.893,450 -0.765,451 0.623,452 -0.745,453 2,454 0.129,455 -0.861,456 -1.265,458 -2.114,459 -0.852,460 0.5,461 -0.854,462 2,464 -1,465 -1.5,467 -2.52,468 -1,469 10.133,470 0.483,471 0.359,472 0.017,473 31.75,474 1.512,475 19,476 0.905,477 12.75,478 0.607,479 11.912,480 0.567,481 20.467,482 0.585,483 20.965,484 0.998,485 6.509,486 0.31,487 3.804,488 0.181,489 0.089,491 0.296,496 0.858,497 0.98,498 0.74,499 0.895,500 0.533,501 0.819,502 1.239,503 0.905,504 0.892,505 0.86,506 0.597,507 0.85,508 0.916,509 1.052,510 0.967,511 1.035,512 0.62,513 1.018,514 0.91,515 1.131,516 1.094,517 1.103,518 0.987,519 1.116,520 0.545,521 0.974,522 0.876,523 0.95,524 1.078,525 0.945,526 0.932,527 1.016,528 0.921,529 0.895,530 1.812,531 0.896,532 1.106,533 1.142,534 1.156,535 1.108,536 1.79,537 1.116,538 0.833,539 0.919,540 0.986,541 1.024,542 0.685,543 1.021,544 3.5,545 0.045,546 2.222,547 1.194,548 1.009,549 0.49,550 0.373,551 0.212,552 0.12,553 0.087,554 4346,555 11750,556 2.102,557 40,559 12,560 1,562 1,567 1.632,568 2,569 3.181,570 -0.385,572 1,575 49.163,576 1.405,577 3.301,578 4.136,579 4.708,580 4.765,581 4.765,582 2.661,583 3.916,584 4.363,585 3.288,586 690.415,587 7.476,588 7258.79,590 1,591 1,592 1,593 179.525,594 1.268,595 4.338,596 0.152,597 0.007,598 0.072,599 0.039,600 0.037,601 0.02,602 0.017,603 0.012,604 0.009,605 0.009,606 0.374,607 1,608 1,609 0.855,610 94.643,611 -0.028,612 -0.002,613 0.039,614 0.008,615 0.027,616 0.03,617 -0.15,618 0.048,619 -0.033,620 0.077,621 -0.065,622 0.04,623 -0.066,624 -0.107,625 -0.075,626 -0.079,627 0.011,628 -0.081,629 -0.101,630 -0.156,631 -0.169,632 -0.148,633 -0.092,634 -0.165,635 0.104,636 0.017,637 0.113,638 0.032,639 0.113,640 0.065,641 -0.058,642 0.004,643 0.059,644 0.062,645 -0.11,646 0.072,647 -0.136,648 -0.095,649 -0.211,650 -0.185,651 -0.266,652 -0.196,653 0.198,654 0.041,655 0.039,656 -0.031,657 0.169,658 -0.013,659 1.03,660 3.463,661 0.714,662 14.925,663 0.995,664 1.106,665 2.699,666 7.285,667 0.715,668 3.178,669 3.466,670 3.761,671 4.007,672 4.19,673 4.19,674 4.248,675 4.317,676 4.22,677 4.205,678 5.321,679 0.683,680 274.34,681 3.178,682 4.691,683 5.541,684 6.409,685 7.277,686 8.152,687 9.027,688 9.906,689 10.785,690 11.666,691 5.7,699 1,700 1,708 2,709 9,711 1,714 3,716 16,735 1,738 35,739 18,740 2,741 23,743 37,744 18,745 14,746 4,747 8,748 2,752 3,753 4,767 1,768 16,769 1,772 1,780 1,782 1,786 1,789 14,790 2,791 1,792 3,797 2,803 0.667,804 1,818 1,822 1,823 2,826 1,833 1,845 1,846 1,855 2,859 1,862 21,872 1,877 1,882 1,884 1,886 2.9,891 1,893 10.5,894 6.7,895 4.833,896 1.96,898 3.644,899 1.544,900 1.01,901 3.657,902 10.344,903 3.555,904 4.155,905 4.831,906 5.444,907 5.99,908 6.307,909 6.728,910 7.153,911 7.341,912 7.663,913 1,914 31,915 7.676,917 3.174,918 7.714,919 14.633,921 11.707,924 2.214,925 46.5,929 153.024,930 141.336,931 47.845,933 11,936 141.336,937 164.024,938 47.845,939 10.883,941 94.334,942 16.602,943 76.218,944 13.915,945 141.253,947 153.024,948 189.181,949 11,952 153.024,953 11,956 47.845,957 131.859,958 9.476,960 153.024,961 58.845,962 141.336,965 153.024,966 19.517,967 105.217,968 33.387,969 42.059,970 153.024,971 58.845,972 141.336,973 0.565,974 0.347,975 0.191,976 0.103,977 15,978 6,979 0.081,980 3,981 1,982 1.133,983 3.374,984 159.277,985 0.133,986 15,987 86.239,993 13.327,994 5.763,995 2.636,996 2.085,997 42.059,998 17.483,1000 3.195,1003 2.694,1005 16.786,1006 353.205,1007 34,1015 1.884,1017 0.637,1020 34.833,1021 38.697,1022 0.274,1023 0.644,1024 0.806,1025 0.918,1026 0.929,1027 0.929,1028 4.762,1029 1,1030 5.501,1031 2.565,1032 4.143,1033 4.84,1034 2.376,1035 6.297,1036 4.099,1037 5.986,1038 0.618,1039 7.047,1040 2.275,1041 3.611,1042 4.543,1044 7.195,1045 3.561,1046 7.295,1047 0.547,1048 8.694,1049 1.218,1050 5.714,1051 7.113,1052 3.594,1053 10.291,1054 5.642,1055 8.644,1056 0.249,1057 10.405,1058 1.013,1059 6.066,1060 7.738,1062 12.066,1063 5.985,1064 10.027,1065 -0.344,1066 12.157,1067 0.385,1068 7.58,1069 9.688,1070 4.968,1071 14.676,1072 7.489,1073 11.433,1074 -0.793,1075 13.94,1076 -0.63,1077 8.343,1078 10.759,1080 16.808,1081 8.243,1082 12.86,1083 -0.861,1084 15.744,1085 -1.893,1086 9.621,1087 12.447,1088 6.379,1089 19.267,1090 9.513,1091 3.152,1092 -1,1093 17.565,1094 -2.114,1095 10.58,1096 13.741,1098 21.547,1099 10.464,1100 2.678,1101 10.893,1102 19.4,1103 -2.52,1104 11.763,1105 15.317,1106 7.797,1107 23.958,1108 11.641,1109 2.419,1110 7.96,1111 21.245,1112 4.525,1113 12.816,1114 16.721,1116 26.299,1117 12.685,1118 2.073,1119 7.106,1120 23.101,1121 3.722,1122 13.965,1123 18.25,1124 9.217,1125 28.694,1126 13.827,1127 1.548,1128 6.16,1129 24.963,1130 3.314,1131 15.063,1132 19.707,1134 31.062,1135 14.916,1136 1.503,1137 4.261,1138 26.832,1139 2.722,1140 16.201,1141 21.219,1142 10.638,1143 33.451,1144 16.047,1145 1.062,1146 3.454,1147 28.707,1148 2.322,1149 17.321,1150 22.701,1152 35.83,1153 17.158,1154 4244,1155 7058,1156 15.603,1157 25.034,1158 35.144,1159 36.727,1160 35.246,1161 33.628,1162 33.699,1163 48.081,1164 5.789,1165 94.581,1166 32.837,1167 5.274,1168 6.071,1169 6.39,1170 5.145,1171 5.152,1172 7.525,1173 4.069,1174 18.04,1175 5.121,1176 8.147,1177 1.528,1178 1.597,1179 1.532,1180 1.462,1181 1.465,1182 2.09,1183 0.252,1184 4.112,1185 1.428,1186 4.135,1187 4.166,1188 4.097,1189 4.061,1190 6.82,1191 4.066,1192 3.911,1193 3.934,1194 3.855,1195 3.847,1196 4.98,1197 3.845,1198 3.54,1199 3.572,1200 3.489,1201 3.453,1202 4.863,1203 3.456,1204 3.319,1205 3.382,1206 3.218,1207 3.144,1208 4.426,1209 3.155,1210 3.21,1211 3.282,1212 3.058,1213 2.946,1214 4.299,1215 2.959,1216 2.903,1217 2.963,1218 2.799,1219 2.784,1220 3.95,1221 2.776,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.826,1229 2.892,1230 2.683,1231 2.661,1232 3.664,1233 2.661,1234 0.2,1235 0.177,1236 0.292,1237 0.18,1238 0.137,1239 4.603,1240 0.197,1241 4.071,1242 0.088,1243 6.708,1244 0.474,1245 4.142,1246 0.136,1247 3.152,1248 4.525,1249 2.035,1250 10.893,1251 3.121,1252 1.962,1253 1.944,1254 2.048,1255 2.028,1256 1.176,1257 2.036,1258 1.892,1259 1.869,1260 1.998,1261 1.985,1262 1.088,1263 1.99,1264 1.613,1265 1.58,1266 1.716,1267 1.761,1268 0.779,1269 1.75,1270 1.27,1271 1.212,1272 1.568,1273 1.531,1274 0.576,1275 1.54,1276 1.162,1277 1.085,1278 1.401,1279 1.422,1280 0.41,1281 1.424,1282 0.94,1283 0.894,1284 1.181,1285 1.079,1286 0.243,1287 1.107,1288 0.886,1289 0.821,1290 1.124,1291 1.062,1292 0.218,1293 1.093,1294 0.79,1295 0.733,1296 1.056,1297 0.987,1298 0.114,1299 0.984,1300 3.85,1302 5.142,1303 2.398,1304 6.642,1305 4.727,1306 8.233,1307 6.843,1308 9.869,1310 1.636,1318 5.14,1324 9.463,1325 2.284,1326 23.918,1327 49.163,1328 115.551,1329 144.77,1330 164.77,1331 166.77,1332 166.77,1333 25.553,1334 6.7,1335 48.81,1336 48.81,1337 17,1338 12.202,1339 4.248,1340 3.585,1341 32.193,1342 65,1343 77,1344 0.241,1345 149.563,1346 254.57,1347 356.694,1348 6456,1350 14.656,1351 0.698,1352 0.554,1353 14.656,1354 11.629,1355 10.313,1356 0.448,1357 0.289,1358 6.572,1359 10.046,1360 6.377,1361 5.344,1362 10.313,1363 6.639,1364 8.649,1365 0.279,1366 0.151,1367 8.649,1368 4.691,1369 7.698,1370 0.183,1371 0.082,1372 7.698,1373 3.427,1374 6.312,1375 0.117,1376 0.043,1377 6.312,1378 2.331,1379 5.029,1380 0.077,1381 0.023,1382 5.029,1383 1.51,1384 0.372,1385 63.802,1386 0.253,1387 20.771,1388 0.674,1389 108,1390 297.714,1391 113.293,1392 298.487,1393 412.1,1394 280,1395 127,1396 302.926,1397 132.322,1398 314.98,1399 452.35,1400 295,1401 4.407}
{0 CHEMBL1452159,1 1.7,2 12.963,3 4.128,4 17.039,5 114.342,6 8.643,7 0.414,8 3.913,9 4.017,10 3.649,11 3.564,12 5.059,13 3.504,14 4.414,15 4.565,16 4.092,17 3.941,18 5.554,19 3.843,20 4.638,21 4.827,22 4.033,23 4.015,24 5.761,25 3.898,26 4.656,27 4.867,28 3.932,29 3.95,30 5.808,31 3.797,32 4.522,33 4.709,34 3.878,35 3.883,36 5.689,37 3.736,38 4.443,39 4.602,40 3.854,41 3.829,42 5.677,43 3.698,44 4.401,45 4.579,46 3.912,47 3.735,48 5.769,49 3.612,50 4.309,51 4.513,52 3.562,53 3.677,54 5.335,55 3.502,56 0.022,57 0.642,58 7.689,59 4.137,60 6.744,61 4.938,62 0.22,63 1.089,64 19.27,65 7.513,66 19.879,67 8.695,68 0.238,69 1.278,70 24.039,71 9.628,72 39.396,73 11.053,74 0.362,75 1.296,76 29.962,77 10.782,78 67.034,79 11.853,80 0.33,81 1.151,82 28.436,83 10.068,84 50.168,85 10.418,86 0.243,87 1.061,88 24.371,89 8.886,90 45.847,91 8.764,92 0.412,93 1.032,94 22.936,95 7.963,96 74.437,97 8.593,98 0.131,99 0.939,100 23.767,101 8.64,102 26.424,103 9.502,104 17,105 39,106 0.29,107 0.651,108 0.815,109 0.873,110 0.873,111 0.873,112 3.339,113 1.012,114 -4.49,115 -4.41,116 -4.16,120 43.5,121 1,122 2,126 1,136 1,139 1,143 7,144 2,146 1,148 1,159 2,160 1,174 11,176 1,177 5,180 2,182 2,185 12,189 6,194 2,197 8,200 1,201 5,206 1,209 6,213 1,214 7,217 1,222 7,227 5,235 5,239 2,240 4,243 1,245 1,247 5,252 4,257 1,260 4,263 1,264 4,269 1,271 4,274 1249,275 18.068,276 18.068,277 18.068,278 18.068,279 18.068,280 15.982,281 18.239,282 10.858,283 18.522,284 14.311,285 14.311,286 14.311,287 14.311,288 14.311,289 11.109,290 20.347,291 5.208,292 15.067,293 3.824,294 1.711,295 0.748,296 0.408,297 0.408,298 0.408,299 4.02,306 1,307 1,308 743,309 3.391,312 85.855,313 207.66,320 2.115,321 27.119,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 57.5,333 350,334 4.402,335 4.908,336 6.647,337 4.061,338 3.147,339 3.81,340 4.506,341 10.556,342 2.893,343 4.011,344 3.688,345 5.588,346 3.609,347 2.628,348 3.53,349 1.907,350 7.491,351 2.589,352 3.962,353 3.591,354 5.484,355 3.583,356 2.612,357 3.476,358 1.192,359 7.39,360 2.521,361 3.577,362 3.299,363 5.255,364 3.186,365 2.209,366 2.846,367 0.553,368 6.323,369 2.159,370 3.529,371 2.673,372 4.872,373 3.132,374 2.139,375 2.755,376 0.149,377 5.528,378 2.109,379 3.279,380 2.538,381 4.819,382 2.826,383 1.874,384 2.453,386 5.456,387 1.754,388 2.948,389 2.197,390 4.622,391 2.496,392 1.638,393 2.015,395 4.553,396 1.416,397 2.86,398 2.002,399 3.633,400 2.394,401 1.426,402 1.944,404 3.063,405 1.322,406 2.5,407 1.685,408 3.499,409 2.087,410 1.096,411 1.5,413 2.497,414 1.07,415 2.5,416 1.519,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.388,425 1.262,426 3.247,427 1.958,428 1,429 1.279,431 2.136,432 0.956,433 1.717,434 1,435 3.063,436 1.35,437 0.365,438 0.452,440 0.9,441 0.355,442 1.37,443 1,444 2.756,445 1.015,446 0.064,447 0.075,449 0.151,450 0.059,451 1.178,452 0.55,453 2.351,454 0.79,455 -0.188,456 -0.238,458 -0.447,459 -0.18,460 0.965,461 0.484,462 2.273,463 0.499,464 -0.474,465 -0.612,467 -1.159,468 -0.425,469 13.533,470 0.501,471 0.647,472 0.024,473 34.75,474 1.287,475 18,476 0.667,477 16.75,478 0.62,479 22.145,480 0.82,481 27.867,482 0.606,483 24.574,484 0.91,485 6.782,486 0.251,487 6.242,488 0.231,489 0.148,491 0.288,496 0.665,497 1.133,498 0.645,499 0.814,500 0.532,501 0.852,502 0.538,503 1.053,504 0.632,505 0.841,506 0.54,507 0.911,508 1.085,509 0.998,510 0.856,511 0.91,512 1.059,513 0.977,514 1.19,515 0.947,516 1.085,517 1.013,518 1.183,519 1.001,520 1.287,521 0.926,522 1.345,523 1.145,524 1.398,525 0.992,526 1.634,527 1.132,528 1.415,529 1.233,530 1.677,531 1.097,532 0.985,533 1.08,534 1.025,535 1.135,536 1.107,537 1.022,538 0.756,539 1.216,540 1.368,541 1.349,542 0.721,543 1.154,544 5.5,545 0.119,546 2.667,547 2.201,548 1.143,549 0.698,550 0.598,551 0.324,552 0.265,553 0.199,554 9876,555 29202,556 2.035,557 41.3,558 3,559 10,561 1,562 1,563 2,564 2,567 1.696,568 1.906,569 3.63,570 -0.309,572 1,575 78.18,576 1.7,577 3.812,578 4.776,579 5.116,580 5.116,581 5.116,582 3.102,583 4.208,584 4.724,585 3.817,586 1339.93,587 8.175,588 18238.1,590 1,592 1,593 254.084,594 1.399,595 4.685,596 0.19,597 0.006,598 0.068,599 0.059,600 0.037,601 0.023,602 0.02,603 0.012,604 0.012,605 0.009,606 0.434,607 0.17,608 1,609 0.584,610 137.329,611 -0.033,612 -0.105,613 0.037,614 0.008,615 -0.035,616 0.009,617 0.233,618 -0.016,619 0.195,620 0.047,621 0.069,622 -0.006,623 -0.088,624 -0.016,625 0.02,626 -0.002,627 -0.086,628 -0.034,629 -0.06,630 0.037,631 -0.03,632 0.004,633 -0.027,634 -0.013,635 -0.072,636 0.089,637 -0.14,638 -0.019,639 -0.106,640 0.001,641 -0.271,642 -0.103,643 -0.238,644 -0.126,645 -0.194,646 -0.147,647 0.299,648 -0.06,649 0.087,650 -0.085,651 0.253,652 -0.064,653 -0.015,654 -0.229,655 -0.168,656 -0.207,657 0.004,658 -0.11,659 1.797,660 5.593,661 0.63,662 29.602,663 1.004,664 1.11,665 3.258,666 10.612,667 0.724,668 3.401,669 3.689,670 3.892,671 4.094,672 4.22,673 4.127,674 4.22,675 4.277,676 4.317,677 4.344,678 7.461,679 0.676,680 397.56,681 3.401,682 4.92,683 5.74,684 6.592,685 7.428,686 8.285,687 9.131,688 9.99,689 10.842,690 11.705,691 6.5,698 2,701 1,709 8,710 1,714 3,716 12,738 46,739 16,740 1,741 29,743 48,744 20,745 11,746 2,747 4,748 3,752 3,753 3,759 1,766 2,768 16,769 4,772 4,778 2,779 1,780 1,782 4,786 1,789 19,790 5,791 1,792 7,793 2,797 3,800 1,803 1,804 2,816 1,822 1,823 2,838 1,845 2,852 1,855 3,857 2,859 1,862 27,869 3,871 1,873 1,875 1,886 4.3,889 2,893 14.167,894 8.567,895 6,896 2.726,898 2.409,899 1.343,900 0.972,901 6.644,902 9.423,903 3.689,904 4.205,905 4.654,906 5.115,907 5.553,908 5.53,909 5.81,910 6.098,911 6.229,912 6.316,913 0.889,914 37,915 9.987,917 4.182,918 7.84,919 18.876,921 15.09,924 2.34,925 63.167,928 1,929 211.88,930 197.928,931 37.921,933 50.29,935 77.412,936 120.516,937 262.17,938 37.921,939 8.825,940 28.31,941 75.81,942 89.807,943 15.419,944 2.328,945 232.328,946 45.192,947 211.88,948 158.437,949 50.29,950 77.412,952 188.338,953 73.832,956 46.182,957 84.442,958 27.813,959 77.412,960 211.88,961 88.21,962 197.928,965 211.88,966 59.053,967 96.807,968 18.011,969 112.267,970 211.88,971 88.21,972 197.928,973 0.575,974 0.325,975 0.169,976 0.09,977 17,978 8,979 0.125,980 6,982 1,983 4.02,984 212.246,986 17,987 122.382,989 1,990 1,993 19.589,994 9.157,995 5.407,997 88.21,998 14.914,999 4.055,1003 2.661,1005 18.011,1006 498.018,1007 39,1013 24.571,1014 5.332,1015 1.854,1017 0.912,1020 46.182,1021 51.075,1022 0.308,1023 0.69,1024 0.865,1025 0.926,1026 0.926,1027 0.926,1028 4.905,1029 1.426,1030 5.707,1031 4.553,1032 4.369,1033 4.89,1034 3.881,1035 6.457,1036 4.276,1037 6.088,1038 1.096,1039 7.231,1040 3.063,1041 3.892,1042 4.559,1043 3.224,1044 7.231,1045 3.739,1046 7.369,1047 1,1048 8.852,1049 2.497,1050 5.905,1051 6.941,1052 6.59,1053 10.311,1054 5.714,1055 8.681,1056 1,1057 10.532,1058 2.275,1059 6.236,1060 7.35,1061 6.507,1062 11.96,1063 5.962,1064 10.021,1065 0.365,1066 12.252,1067 2.136,1068 7.722,1069 9.238,1070 9.506,1071 14.561,1072 7.412,1073 11.381,1074 0.064,1075 14,1076 0.9,1077 8.45,1078 10.005,1079 9.751,1080 16.609,1081 8.037,1082 12.758,1083 -0.188,1084 15.772,1085 0.151,1086 9.715,1087 11.663,1088 12.452,1089 19.047,1090 9.257,1091 3.147,1092 -0.474,1093 17.564,1094 -0.447,1095 10.646,1096 12.63,1097 12.933,1098 21.273,1099 10.077,1100 2.628,1101 10.556,1102 19.371,1103 -1.159,1104 11.82,1105 14.161,1106 15.408,1107 23.656,1108 11.192,1109 2.612,1110 7.491,1111 21.193,1112 3.81,1113 12.854,1114 15.249,1115 16.07,1116 25.957,1117 12.114,1118 2.209,1119 7.39,1120 23.026,1121 3.53,1122 13.994,1123 16.702,1124 18.371,1125 28.322,1126 13.183,1127 2.139,1128 6.323,1129 24.869,1130 3.476,1131 15.079,1132 17.869,1133 19.176,1134 30.655,1135 14.159,1136 1.874,1137 5.528,1138 26.721,1139 2.846,1140 16.21,1141 19.273,1142 21.339,1143 33.014,1144 15.209,1145 1.638,1146 5.456,1147 28.58,1148 2.755,1149 17.321,1150 20.491,1151 22.261,1152 35.36,1153 16.216,1154 9549,1155 16596,1156 19.186,1157 33.313,1158 43.123,1159 47.606,1160 43.867,1161 42.469,1162 42.395,1163 55.271,1164 16.614,1165 116.637,1166 40.403,1167 5.377,1168 6.908,1169 6.449,1170 5.184,1171 5.147,1172 6.81,1173 8.641,1174 17.512,1175 4.893,1176 13.439,1177 1.487,1178 1.642,1179 1.513,1180 1.464,1181 1.462,1182 1.906,1183 0.573,1184 4.022,1185 1.393,1186 3.971,1187 3.997,1188 4.213,1189 3.929,1190 7.43,1191 3.909,1192 3.879,1193 3.924,1194 3.847,1195 3.753,1196 7.426,1197 3.76,1198 3.777,1199 3.812,1200 3.82,1201 3.715,1202 4.904,1203 3.669,1204 3.591,1205 3.619,1206 3.536,1207 3.476,1208 4.793,1209 3.459,1210 3.285,1211 3.343,1212 3.405,1213 3.173,1214 4.715,1215 3.137,1216 3.136,1217 3.201,1218 3.174,1219 2.979,1220 4.102,1221 2.959,1222 2.898,1223 2.96,1224 2.966,1225 2.863,1226 4.03,1227 2.787,1228 2.854,1229 2.925,1230 2.832,1231 2.735,1232 3.887,1233 2.715,1234 0.152,1235 0.169,1236 0.229,1237 0.14,1238 0.109,1239 4.402,1240 0.131,1241 4.908,1242 0.155,1243 6.647,1244 0.364,1245 4.061,1246 0.1,1247 3.147,1248 3.81,1249 4.506,1250 10.556,1251 2.893,1252 1.938,1253 1.914,1254 2.052,1255 2.008,1256 1.232,1257 2.025,1258 1.828,1259 1.786,1260 1.956,1261 1.988,1262 1.159,1263 1.98,1264 1.684,1265 1.631,1266 1.892,1267 1.866,1268 0.936,1269 1.877,1270 1.478,1271 1.464,1272 1.621,1273 1.637,1274 0.752,1275 1.623,1276 1.318,1277 1.3,1278 1.471,1279 1.498,1280 0.643,1281 1.517,1282 1.108,1283 1.058,1284 1.333,1285 1.319,1286 0.46,1287 1.337,1288 1.023,1289 0.983,1290 1.181,1291 1.172,1292 0.245,1293 1.219,1294 0.886,1295 0.821,1296 1.169,1297 1.062,1298 0.218,1299 1.107,1300 4.078,1302 5.371,1303 2.398,1304 6.841,1305 4.844,1306 8.387,1307 6.986,1308 9.974,1310 2.021,1315 1.249,1317 2.733,1319 1.301,1321 1.564,1326 31.082,1327 78.18,1328 175.374,1329 219.677,1330 235.329,1331 235.329,1332 235.329,1333 54.628,1334 7.014,1335 63.99,1336 124.32,1337 17,1338 12.256,1339 4.087,1340 3.459,1341 47.281,1342 119,1343 115,1344 0.188,1345 201.8,1346 356.88,1347 484.153,1348 10854,1350 19.225,1351 0.712,1352 0.61,1353 20.079,1354 16.478,1355 13.025,1356 0.449,1357 0.337,1358 8.578,1359 12.045,1360 8.238,1361 6.862,1362 13.722,1363 9.782,1364 11.633,1365 0.298,1366 0.2,1367 12.808,1368 7.787,1369 9.291,1370 0.194,1371 0.111,1372 10.439,1373 5.344,1374 7.398,1375 0.125,1376 0.065,1377 8.713,1378 3.855,1379 5.652,1380 0.084,1381 0.038,1382 6.75,1383 2.578,1384 0.304,1385 87.673,1386 0.228,1387 26.661,1388 0.488,1389 136,1390 414.815,1391 192.133,1392 448.388,1393 596.68,1394 416,1395 155,1396 397.626,1397 198.05,1398 428.969,1399 622.73,1400 402,1401 5.821}
{0 CHEMBL1452379,1 1.625,2 8.615,3 3.95,4 15.603,5 102.895,6 8.85,7 0.586,8 3.836,9 3.944,10 3.559,11 3.471,12 5.033,13 3.454,14 4.302,15 4.437,16 3.937,17 3.845,18 5.494,19 3.817,20 4.492,21 4.661,22 3.933,23 3.907,24 5.688,25 3.851,26 4.5,27 4.696,28 3.803,29 3.856,30 5.594,31 3.792,32 4.481,33 4.677,34 3.847,35 3.855,36 5.586,37 3.808,38 4.471,39 4.644,40 3.942,41 3.882,42 5.67,43 3.831,44 4.495,45 4.685,46 3.91,47 3.913,48 5.615,49 3.839,50 4.524,51 4.701,52 3.814,53 3.887,54 5.716,55 3.798,56 0.077,57 0.601,58 5.744,59 3.198,60 5.928,61 3.837,62 0.123,63 0.932,64 10.843,65 5.3,66 13.93,67 6.475,68 0.238,69 1.083,70 17.631,71 6.822,72 31.416,73 8.221,74 0.26,75 1.123,76 18.484,77 6.647,78 29.083,79 7.972,80 0.233,81 1.089,82 16.808,83 6.792,84 32.778,85 8.321,86 0.359,87 1.102,88 15.253,89 6.46,90 30.335,91 8.052,92 0.211,93 1.063,94 17.424,95 7.2,96 21.573,97 9.077,98 0.198,99 1.062,100 18.745,101 7.67,102 31.86,103 9.29,104 10,105 41,106 0.28,107 0.616,108 0.739,109 0.826,110 0.837,111 0.837,112 3.305,113 0.876,114 -5.31,115 -5.2,116 -4.86,120 48.8,121 1,136 1,137 1,143 9,144 2,145 2,147 1,152 1,157 1,159 1,167 1,170 1,174 10,177 8,180 1,182 1,185 13,188 1,189 11,194 2,197 10,201 12,206 1,209 9,214 3,222 10,226 4,227 5,230 2,232 1,235 15,240 5,245 2,247 15,252 8,257 4,260 12,264 4,269 2,271 6,274 1058,275 17.654,276 17.654,277 17.654,278 17.654,279 17.654,280 15.085,281 14.689,282 10.368,283 17.937,284 14.314,285 14.314,286 14.314,287 14.314,288 14.314,289 10.461,290 13.179,291 4.956,292 14.802,293 3.733,294 1.789,295 1.074,296 0.573,297 0.506,298 0.506,299 4,303 1,305 1,306 1,307 1,308 487,309 2.345,312 142.174,313 167.796,320 1.29,321 19.252,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 55.333,333 224,334 4.542,335 3.64,336 6.619,337 4.146,338 3.167,339 4.252,340 0.98,341 10.645,342 3.104,343 4.319,344 3.179,345 6.391,346 3.948,347 2.96,348 3.767,349 0.782,350 9.677,351 2.918,352 4.07,353 2.927,354 6.052,355 3.665,356 2.696,357 3.658,359 8.719,360 2.608,361 3.792,362 2.774,363 5.289,364 3.318,365 2.383,366 3.311,368 6.595,369 2.225,370 3.355,371 2.697,372 4.93,373 2.902,374 1.963,375 2.673,377 5.658,378 1.764,379 3.236,380 2.107,381 4.732,382 2.737,383 1.732,384 2.392,386 4.726,387 1.726,388 3.146,389 1.765,390 4.405,391 2.695,392 1.711,393 2.313,395 4.327,396 1.675,397 2.761,398 1.413,399 4.073,400 2.24,401 1.266,402 1.776,404 3.289,405 1.224,406 2.5,407 1.052,408 3.856,409 2,410 1,411 1.5,413 2.667,414 1,415 2.5,416 1,417 3.482,418 2,419 1,420 1.5,422 2.479,423 1,424 2.447,425 1,426 3.414,427 1.985,428 1,429 1.389,431 2.275,432 0.984,433 2.351,434 0.979,435 3.247,436 1.854,437 0.909,438 1.263,440 2.136,441 0.844,442 1.506,443 0.867,444 2.92,445 1.161,446 0.13,447 0.17,449 0.308,450 0.133,451 1.135,452 0.32,453 2.516,454 0.672,455 -0.193,456 -0.243,458 -0.433,459 -0.135,460 0.782,461 -0.076,462 2.386,463 0.399,464 -0.594,465 -0.713,467 -1.461,468 -0.581,469 12.648,470 0.486,471 0.644,472 0.025,473 36.75,474 1.413,475 20.5,476 0.788,477 16.25,478 0.625,479 18.52,480 0.712,481 25.752,482 0.628,483 27.026,484 1.039,485 7.522,486 0.289,487 5.092,488 0.196,489 0.122,491 0.348,496 0.556,497 0.949,498 0.56,499 0.804,500 0.567,501 0.775,502 0.678,503 1.223,504 0.643,505 0.92,506 0.578,507 0.871,508 1.024,509 1.14,510 1.014,511 1.049,512 0.916,513 1.026,514 1.152,515 1.041,516 1.033,517 0.976,518 0.915,519 1.015,520 1.033,521 0.994,522 0.645,523 0.784,524 1.09,525 0.808,526 0.633,527 0.894,528 0.733,529 0.938,530 0.813,531 0.978,532 0.774,533 0.923,534 0.784,535 0.928,536 0.687,537 0.944,538 1.097,539 1.175,540 1.107,541 1.251,542 1.238,543 1.239,544 5,545 0.074,546 3.333,547 1.799,548 1.108,549 0.931,550 0.708,551 0.434,552 0.301,553 0.238,554 7575,555 23313,556 2.124,557 36.6,559 10,560 1,562 1,563 3,567 1.699,568 2,569 3.074,570 -0.332,572 1,575 66.618,576 1.625,577 3.569,578 4.283,579 4.784,580 4.851,581 4.851,582 2.473,583 3.931,584 4.67,585 3.276,586 1064.77,587 8.138,588 13297.9,590 1,592 1,593 219.66,594 1.37,595 4.637,596 0.172,597 0.007,598 0.081,599 0.046,600 0.032,601 0.025,602 0.018,603 0.012,604 0.009,605 0.011,606 0.413,607 0.33,608 1,609 0.54,610 125.121,611 0.096,612 0.125,613 0.025,614 0.032,615 -0.063,616 0.025,617 0.059,618 -0.179,619 0.047,620 -0.047,621 0.045,622 -0.019,623 -0.068,624 -0.131,625 -0.114,626 -0.117,627 0.01,628 -0.112,629 -0.23,630 0.008,631 -0.182,632 -0.059,633 -0.131,634 -0.092,635 -0.122,636 0.019,637 0.068,638 0.143,639 -0.093,640 0.139,641 0.285,642 0.153,643 0.012,644 -0.041,645 0.073,646 -0.084,647 0.01,648 0.049,649 0.066,650 0.034,651 0.063,652 0.031,653 -0.125,654 -0.245,655 -0.185,656 -0.274,657 -0.087,658 -0.269,659 1.878,660 5.02,661 0.846,662 21.893,663 1.009,664 1.113,665 4.082,666 16.663,667 0.729,668 3.401,669 3.738,670 4.025,671 4.29,672 4.489,673 4.595,674 4.787,675 4.934,676 5.043,677 5.094,678 5.653,679 0.702,680 362.84,681 3.401,682 4.949,683 5.808,684 6.691,685 7.57,686 8.46,687 9.348,688 10.242,689 11.136,690 12.033,691 9.8,698 1,699 1,700 1,701 1,709 10,710 1,714 5,715 1,716 17,737 1,738 41,739 20,740 2,741 29,743 44,744 20,745 15,746 3,747 9,748 4,752 4,753 4,754 1,755 1,759 1,768 19,769 1,772 3,778 1,780 1,781 1,782 3,786 1,789 15,790 4,791 1,792 6,793 1,797 4,803 1,804 1,814 1,822 2,823 2,845 1,846 1,855 4,859 1,860 1,862 26,871 1,885 1,886 2.4,889 1,893 13,894 7.826,895 5.639,896 2.363,898 3.275,899 1.449,900 1.026,901 4.353,902 10.569,903 3.726,904 4.347,905 4.955,906 5.54,907 6.066,908 6.436,909 6.939,910 7.411,911 7.823,912 8.194,913 0.833,914 39,915 9.539,917 4.078,918 7.767,919 18.047,921 14.757,924 2.267,925 58.944,928 1,929 164.795,930 138.667,931 52.991,932 39.149,933 25.145,936 138.667,937 229.089,938 52.991,939 8.825,940 17.888,941 103.81,942 49.269,943 37.01,944 11.771,945 153.024,946 39.149,947 164.795,948 191.658,949 25.145,950 39.149,952 164.795,953 25.145,956 47.91,957 117.609,958 65.288,960 164.795,961 78.136,962 177.816,965 164.795,966 26.032,967 114.412,968 17.888,969 97.62,970 164.795,971 78.136,972 177.816,973 0.586,974 0.343,975 0.182,976 0.099,977 21,978 9,979 0.068,980 3,982 1,983 3.776,984 226.663,986 22,987 111.457,993 16.615,994 6.811,995 3.316,997 76.359,998 19.208,999 4.73,1003 4.121,1004 1.801,1005 17.888,1006 420.747,1007 40.5,1013 12.02,1015 1.817,1016 3.978,1017 0.981,1020 41.36,1021 45.638,1022 0.303,1023 0.666,1024 0.8,1025 0.893,1026 0.906,1027 0.906,1028 4.958,1029 1.266,1030 5.796,1031 4.327,1032 4.419,1033 5.034,1034 1.422,1035 6.613,1036 4.359,1037 6.183,1038 1,1039 7.359,1040 3.289,1041 4.007,1042 4.771,1044 7.516,1045 3.891,1046 7.496,1047 1,1048 9.023,1049 2.667,1050 6.019,1051 7.229,1052 1.279,1053 10.624,1054 5.911,1055 8.847,1056 1,1057 10.745,1058 2.479,1059 6.447,1060 7.798,1062 12.375,1063 6.3,1064 10.228,1065 0.909,1066 12.505,1067 2.275,1068 7.918,1069 9.694,1070 1.172,1071 14.981,1072 7.772,1073 11.632,1074 0.13,1075 14.292,1076 2.136,1077 8.724,1078 10.662,1080 17.068,1081 8.55,1082 13.053,1083 -0.193,1084 16.098,1085 0.308,1086 9.982,1087 12.309,1088 1.092,1089 19.5,1090 9.802,1091 3.167,1092 -0.594,1093 17.919,1094 -0.433,1095 10.96,1096 13.486,1098 21.728,1099 10.759,1100 2.96,1101 10.645,1102 19.749,1103 -1.461,1104 12.133,1105 15.013,1106 1.03,1107 24.098,1108 11.921,1109 2.696,1110 9.677,1111 21.588,1112 4.252,1113 13.191,1114 16.302,1116 26.387,1117 12.96,1118 2.383,1119 8.719,1120 23.433,1121 3.767,1122 14.332,1123 17.773,1124 0.982,1125 28.736,1126 14.088,1127 1.963,1128 6.595,1129 25.283,1130 3.658,1131 15.427,1132 19.125,1134 31.053,1135 15.165,1136 1.732,1137 5.658,1138 27.137,1139 3.311,1140 16.558,1141 20.57,1142 0.943,1143 33.397,1144 16.28,1145 1.711,1146 4.726,1147 28.995,1148 2.673,1149 17.672,1150 21.957,1152 35.729,1153 17.376,1154 7212,1155 12786,1156 19.592,1157 29.904,1158 44.737,1159 45.321,1160 45.301,1161 44.111,1162 43.838,1163 59.93,1164 3.524,1165 127.002,1166 42.408,1167 5.297,1168 5.64,1169 6.421,1170 5.172,1171 5.167,1172 7.252,1173 1.96,1174 17.558,1175 5.104,1176 11.312,1177 1.543,1178 1.563,1179 1.562,1180 1.521,1181 1.512,1182 2.067,1183 0.122,1184 4.379,1185 1.462,1186 4.08,1187 4.119,1188 4.075,1189 3.976,1190 7.43,1191 3.986,1192 3.867,1193 3.896,1194 3.92,1195 3.812,1196 5.028,1197 3.804,1198 3.836,1199 3.871,1200 3.801,1201 3.717,1202 4.887,1203 3.727,1204 3.627,1205 3.676,1206 3.628,1207 3.468,1208 4.742,1209 3.49,1210 3.134,1211 3.21,1212 3.247,1213 2.916,1214 4.636,1215 2.913,1216 2.948,1217 3.009,1218 2.969,1219 2.833,1220 4.245,1221 2.825,1222 2.863,1223 2.925,1224 2.844,1225 2.735,1226 3.888,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.682,1233 2.715,1234 0.157,1235 0.126,1236 0.228,1237 0.143,1238 0.109,1239 4.542,1240 0.147,1241 3.64,1242 0.034,1243 6.619,1244 0.367,1245 4.146,1246 0.107,1247 3.167,1248 4.252,1249 0.98,1250 10.645,1251 3.104,1252 1.912,1253 1.893,1254 2.017,1255 2.013,1256 1.117,1257 2.014,1258 1.9,1259 1.868,1260 1.99,1261 1.97,1262 1.081,1263 1.984,1264 1.689,1265 1.667,1266 1.808,1267 1.789,1268 0.927,1269 1.796,1270 1.386,1271 1.324,1272 1.604,1273 1.638,1274 0.689,1275 1.614,1276 1.233,1277 1.172,1278 1.356,1279 1.523,1280 0.389,1281 1.481,1282 1.176,1283 1.139,1284 1.239,1285 1.395,1286 0.292,1287 1.369,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.078,1302 5.407,1303 3.045,1304 6.921,1305 5.416,1306 8.512,1307 7.496,1308 10.146,1310 1.799,1311 6.01,1317 2.481,1326 28.789,1327 66.618,1328 146.322,1329 175.621,1330 196.15,1331 198.905,1332 198.905,1333 36.774,1334 7.294,1335 63.57,1336 63.57,1337 22,1338 12.558,1339 4.392,1340 3.644,1341 37.654,1342 85,1343 91,1344 0.212,1345 180.349,1346 311.38,1347 431.811,1348 12659,1349 2.4,1350 18.096,1351 0.696,1352 0.567,1353 18.596,1354 14.735,1355 12.614,1356 0.435,1357 0.292,1358 8.043,1359 11.951,1360 7.801,1361 6.482,1362 12.903,1363 8.472,1364 11.505,1365 0.281,1366 0.155,1367 11.913,1368 6.353,1369 9.882,1370 0.18,1371 0.08,1372 10.171,1373 4.392,1374 8.084,1375 0.112,1376 0.04,1377 8.25,1378 2.909,1379 6.415,1380 0.073,1381 0.022,1382 6.629,1383 1.939,1384 0.322,1385 81.329,1386 0.226,1387 24.682,1388 0.619,1389 140,1390 407.207,1391 165.644,1392 433.284,1393 591.61,1394 404,1395 166,1396 427.469,1397 187.327,1398 443.588,1399 646.13,1400 418,1401 5.18}
{0 CHEMBL1452391,1 1.58,2 10.92,3 4.421,4 19.547,5 101.867,6 8.688,7 0.444,8 3.951,9 4.047,10 3.651,11 3.461,12 4.991,13 3.442,14 4.5,15 4.655,16 4.031,17 3.805,18 5.515,19 3.772,20 4.686,21 4.862,22 4.217,23 3.912,24 5.707,25 3.859,26 4.579,27 4.746,28 4.217,29 3.928,30 5.543,31 3.835,32 4.689,33 4.882,34 4.091,35 3.977,36 5.603,37 3.829,38 4.679,39 4.885,40 3.871,41 3.916,42 5.549,43 3.746,44 4.594,45 4.837,46 3.778,47 3.792,48 5.414,49 3.624,50 4.557,51 4.827,52 3.731,53 3.645,54 5.367,55 3.497,56 0.045,57 0.608,58 8.454,59 4.698,60 5.778,61 5.641,62 0.287,63 0.952,64 20.25,65 7.786,66 23.508,67 9.192,68 0.686,69 1.094,70 33.386,71 9.451,72 42.167,73 11.072,74 0.319,75 1.066,76 25.648,77 9.118,78 22.931,79 11.064,80 0.466,81 1.128,82 45.486,83 11.012,84 32.181,85 13.273,86 0.487,87 1.094,88 47.67,89 10.988,90 33.619,91 13.034,92 0.281,93 1.029,94 36.439,95 9.768,96 25.862,97 12.48,98 0.345,99 0.939,100 35.224,101 8.943,102 29.16,103 11.518,104 18,105 36,106 0.273,107 0.544,108 0.696,109 0.808,110 0.823,111 0.852,112 3.266,113 1.024,114 -3.55,115 -3.52,116 -3.36,118 1,120 40.4,121 2,126 5,143 5,144 1,145 6,174 3,177 5,182 3,185 3,188 2,189 7,194 3,197 2,201 4,204 1,209 4,214 2,217 2,219 1,222 9,227 1,230 1,235 5,240 5,245 1,247 3,252 5,257 1,260 1,263 1,264 2,271 2,274 895,275 17.24,276 17.24,277 17.24,278 17.24,279 17.24,280 15.739,281 27.494,282 10.534,283 18.116,284 13.29,285 13.29,286 13.29,287 13.29,288 13.29,289 10.872,290 39.464,291 4.848,292 14.597,293 3.975,294 2.409,295 1.529,296 0.883,297 0.798,298 0.628,299 3.952,306 1,307 1,308 579,309 3.082,313 224.576,317 119.071,320 1.536,321 20.676,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 54.25,333 273,334 4.408,335 3.418,336 6.482,337 3.975,338 3.048,339 4.093,340 0.86,341 10.093,342 2.812,343 4.276,344 3.256,345 6.183,346 3.865,347 2.922,348 3.915,349 0.86,350 9.226,351 2.748,352 3.641,353 2.72,354 5.36,355 3.328,356 2.379,357 2.944,358 0.86,359 6.961,360 2.245,361 3.481,362 2.608,363 5.181,364 3.111,365 2.148,366 2.797,367 0.86,368 6.453,369 2.055,370 3.31,371 2.408,372 5.063,373 2.868,374 2.011,375 2.556,376 0.657,377 5.782,378 1.646,379 2.923,380 2.178,381 4.414,382 2.53,383 1.618,384 2.061,386 4.367,387 1.469,388 2.486,389 2.1,390 3.822,391 2.331,392 1.422,393 1.485,395 3.039,396 1.281,397 2.426,398 1.809,399 3.619,400 2.222,401 1.37,402 1.424,404 2.919,405 1.119,406 2.12,407 1.466,408 3.272,409 1.958,410 1.043,411 1.101,413 1.875,414 0.941,415 2,416 1.063,417 3.141,418 1.731,419 0.802,420 0.931,422 1.689,423 0.739,424 1.769,425 0.93,426 3.095,427 1.504,428 0.593,429 0.679,431 1.352,432 0.535,433 1.364,434 0.749,435 2.68,436 1.118,437 0.24,438 0.258,440 0.432,441 0.188,442 1,443 0.11,444 2.596,445 0.632,446 -0.286,447 -0.341,449 -0.576,450 -0.212,451 0.874,452 0.032,453 2.302,454 0.538,455 -0.355,456 -0.414,458 -0.864,459 -0.306,460 0.686,461 -0.221,462 2.098,463 0.311,464 -0.618,465 -0.729,467 -1.26,468 -0.538,469 12.567,470 0.503,471 0.465,472 0.019,473 30.5,474 1.22,475 14.5,476 0.58,477 16,478 0.64,479 23.072,480 0.923,481 27.633,482 0.588,483 19.225,484 0.769,485 5.831,486 0.233,487 6.376,488 0.255,489 0.186,491 0.279,496 0.893,497 1.324,498 0.513,499 1.016,500 0.904,501 0.971,502 1.365,503 1.067,504 0.593,505 0.827,506 1.142,507 0.835,508 1.308,509 0.891,510 0.874,511 0.811,512 1.181,513 0.796,514 0.882,515 1.212,516 0.897,517 1.07,518 0.933,519 1.092,520 0.921,521 1.116,522 1.673,523 1.305,524 1.013,525 1.223,526 1.107,527 1.041,528 1.77,529 1.286,530 1.227,531 1.241,532 0.707,533 1.074,534 1.173,535 1.111,536 0.712,537 1.089,538 0.859,539 0.804,540 0.952,541 0.83,542 0.777,543 0.789,544 4.5,545 0.124,546 2.444,547 1.438,548 1.64,549 0.556,550 0.424,551 0.28,552 0.172,553 0.178,554 7275,555 20459,556 2.062,557 46.8,559 15,562 1,564 6,567 1.678,568 1.948,569 3.426,570 -0.317,572 1,575 74.248,576 1.58,577 3.146,578 4.025,579 4.671,580 4.757,581 4.927,582 2.869,583 4.564,584 4.617,585 3.563,586 1068.9,587 7.973,588 13234.6,590 1,592 1,593 261.066,594 1.323,595 4.583,596 0.167,597 0.007,598 0.068,599 0.038,600 0.048,601 0.019,602 0.017,603 0.012,604 0.008,605 0.008,606 0.391,607 0.5,608 1,609 1.136,610 121.75,611 -0.037,612 -0.157,613 0.009,614 -0.095,615 -0.083,616 -0.024,617 -0.16,618 -0.013,619 0.035,620 0.067,621 -0.029,622 0.084,623 0.02,624 0.116,625 0.042,626 0.139,627 0.047,628 0.133,629 -0.001,630 -0.136,631 0.048,632 -0.08,633 -0.057,634 -0.121,635 -0.04,636 -0.112,637 -0.154,638 -0.167,639 -0.107,640 -0.2,641 -0.171,642 -0.058,643 -0.229,644 -0.154,645 -0.269,646 -0.222,647 -0.025,648 -0.089,649 -0.058,650 -0.093,651 0.053,652 -0.072,653 -0.012,654 0.135,655 0.048,656 0.131,657 0.125,658 0.206,659 0.924,660 2.218,661 0.64,662 22.176,663 1.008,664 1.122,665 2.321,666 5.385,667 0.671,668 3.332,669 3.611,670 3.871,671 4.127,672 4.344,673 4.317,674 4.344,675 4.407,676 4.5,677 4.477,678 6.414,679 0.632,680 408.32,681 3.332,682 4.844,683 5.68,684 6.544,685 7.399,686 8.268,687 9.129,688 10,689 10.862,690 11.733,691 2.1,696 1,709 5,714 7,716 12,729 1,735 4,737 1,738 47,739 12,740 2,741 27,742 1,743 49,744 19,745 12,746 7,747 5,752 3,753 4,759 2,768 12,769 7,786 1,789 22,790 5,791 1,792 6,793 1,797 1,803 0.667,804 4,823 3,827 1,855 2,858 1,859 2,862 25,869 5,871 1,872 4,885 1,886 8.5,891 4,893 12.833,894 8.976,895 5.75,896 3.063,898 2.272,899 1.319,900 0.957,901 6.589,902 9.39,903 3.526,904 4.078,905 4.62,906 5.15,907 5.649,908 5.755,909 5.888,910 6.116,911 6.447,912 6.695,913 1,914 38,915 9.225,917 3.746,918 7.597,919 17.828,921 14.011,924 2.097,925 52.417,928 1,929 247.193,930 115.478,931 63.965,933 44,936 161.432,937 291.193,938 18.011,939 17.65,940 20.475,941 47.381,942 18.011,943 73.971,945 247.193,946 45.954,947 247.193,948 133.489,949 44,951 45.954,952 176.567,953 114.626,956 38.126,957 77.352,958 18.011,959 45.954,960 247.193,961 62.01,962 161.432,965 247.193,966 50.446,967 65.032,968 63.965,969 44,970 247.193,971 62.01,972 161.432,973 0.559,974 0.332,975 0.194,976 0.111,977 16,978 7,979 0.143,980 7,981 1,982 1.125,983 3.741,984 198.012,985 0.125,986 16,987 116.096,993 18.516,994 8.896,995 4.67,997 62.01,998 9.918,1003 6.017,1005 18.011,1006 470.636,1007 33,1020 47.36,1021 52.745,1022 0.284,1023 0.566,1024 0.725,1025 0.841,1026 0.856,1027 0.887,1028 4.745,1029 1.37,1030 5.638,1031 3.039,1032 4.29,1033 4.762,1034 2.052,1035 6.418,1036 4.12,1037 5.918,1038 1.043,1039 7.172,1040 2.919,1041 3.761,1042 4.559,1044 7.248,1045 3.509,1046 7.211,1047 0.802,1048 8.808,1049 1.875,1050 5.844,1051 6.92,1052 1.749,1053 10.342,1054 5.544,1055 8.544,1056 0.593,1057 10.505,1058 1.689,1059 6.155,1060 7.536,1062 12.003,1063 5.766,1064 9.91,1065 0.24,1066 12.24,1067 1.352,1068 7.676,1069 9.378,1070 1.481,1071 14.591,1072 7.25,1073 11.3,1074 -0.286,1075 14.001,1076 0.432,1077 8.395,1078 10.371,1080 16.603,1081 7.872,1082 12.707,1083 -0.355,1084 15.782,1085 -0.576,1086 9.673,1087 11.991,1088 1.242,1089 19.01,1090 9.11,1091 3.048,1092 -0.618,1093 17.576,1094 -0.864,1095 10.593,1096 13.172,1098 21.176,1099 9.931,1100 2.922,1101 10.093,1102 19.382,1103 -1.26,1104 11.765,1105 14.686,1106 1.03,1107 23.514,1108 11.055,1109 2.379,1110 9.226,1111 21.196,1112 4.093,1113 12.78,1114 15.966,1116 25.749,1117 11.976,1118 2.148,1119 6.961,1120 23.018,1121 3.915,1122 13.908,1123 17.424,1124 0.843,1125 28.06,1126 13.046,1127 2.011,1128 6.453,1129 24.845,1130 2.944,1131 14.968,1132 18.757,1134 30.326,1135 14.017,1136 1.618,1137 5.782,1138 26.678,1139 2.797,1140 16.078,1141 20.187,1142 0.68,1143 32.628,1144 15.062,1145 1.422,1146 4.367,1147 28.514,1148 2.556,1149 17.16,1150 21.548,1152 34.91,1153 16.059,1154 7111,1155 12050,1156 18.087,1157 31.551,1158 39.077,1159 40.665,1160 40.625,1161 39.301,1162 39.191,1163 48.488,1164 8.195,1165 108.377,1166 35.554,1167 5.352,1168 5.418,1169 6.252,1170 5.115,1171 5.048,1172 7.093,1173 1.72,1174 16.981,1175 4.812,1176 11.262,1177 1.447,1178 1.506,1179 1.505,1180 1.456,1181 1.452,1182 1.796,1183 0.304,1184 4.014,1185 1.317,1186 3.993,1187 4.012,1188 6.88,1189 3.909,1190 4.965,1191 3.907,1192 3.9,1193 3.907,1194 3.922,1195 3.815,1196 4.894,1197 3.819,1198 3.521,1199 3.578,1200 3.801,1201 3.302,1202 4.462,1203 3.31,1204 3.472,1205 3.542,1206 3.388,1207 3.26,1208 4.439,1209 3.249,1210 3.439,1211 3.5,1212 3.276,1213 3.245,1214 4.282,1215 3.242,1216 3.2,1217 3.273,1218 3.262,1219 3.066,1220 4.212,1221 3.036,1222 2.9,1223 2.94,1224 3.002,1225 2.819,1226 3.896,1227 2.771,1228 2.874,1229 2.907,1230 2.785,1231 2.734,1232 3.757,1233 2.734,1234 0.163,1235 0.127,1236 0.24,1237 0.147,1238 0.113,1239 4.408,1240 0.152,1241 3.418,1242 0.032,1243 6.482,1244 0.374,1245 3.975,1246 0.104,1247 3.048,1248 4.093,1249 0.86,1250 10.093,1251 2.812,1252 1.925,1253 1.908,1254 2.011,1255 2.048,1256 1.183,1257 2.039,1258 1.859,1259 1.849,1260 1.937,1261 1.972,1262 1.093,1263 1.964,1264 1.476,1265 1.412,1266 1.795,1267 1.724,1268 0.942,1269 1.743,1270 1.463,1271 1.389,1272 1.783,1273 1.712,1274 0.935,1275 1.738,1276 1.419,1277 1.36,1278 1.682,1279 1.638,1280 0.91,1281 1.659,1282 1.18,1283 1.115,1284 1.408,1285 1.394,1286 0.619,1287 1.414,1288 0.868,1289 0.824,1290 1.126,1291 1.087,1292 0.189,1293 1.094,1294 0.841,1295 0.808,1296 1.05,1297 1.02,1298 0.155,1299 1.044,1300 4.007,1302 5.293,1304 6.79,1306 8.391,1308 10.045,1309 3.575,1310 3.92,1315 3.018,1317 3.406,1318 22.562,1326 29.701,1327 74.248,1328 147.846,1329 189.191,1330 219.556,1331 223.556,1332 231.556,1333 35.83,1334 7.119,1335 48.95,1336 48.95,1337 18,1338 12.277,1339 3.7,1340 2.807,1341 41.894,1342 97,1343 86,1344 0.212,1345 187.973,1346 327.98,1347 450.415,1348 11597,1349 2.1,1350 17.648,1351 0.706,1352 0.641,1353 18.648,1354 16.019,1355 12.207,1356 0.452,1357 0.341,1358 8.318,1359 11.05,1360 8.069,1361 6.654,1362 12.784,1363 9.217,1364 10.377,1365 0.288,1366 0.176,1367 11.119,1368 6.337,1369 8.591,1370 0.183,1371 0.091,1372 9.254,1373 4.286,1374 7.361,1375 0.121,1376 0.053,1377 8.133,1378 3.232,1379 6.066,1380 0.08,1381 0.029,1382 6.622,1383 2.178,1384 0.335,1385 85.701,1386 0.235,1387 24.475,1388 0.57,1389 126,1390 407.929,1391 207.763,1392 409.353,1393 552.47,1394 388,1395 146,1396 378.242,1397 198.243,1398 385.432,1399 570.73,1400 365,1401 5.606}
{0 CHEMBL1452415,1 1.575,2 9.68,3 2.227,4 4.958,5 93.54,6 7.668,7 0.444,8 3.878,9 3.997,10 3.455,11 3.436,12 5.062,13 3.42,14 4.386,15 4.545,16 3.858,17 3.843,18 5.583,19 3.811,20 4.673,21 4.832,22 3.968,23 4.026,24 5.915,25 3.97,26 4.842,27 5.077,28 3.887,29 3.967,30 6.033,31 3.889,32 4.693,33 4.927,34 3.679,35 3.776,36 5.98,37 3.695,38 4.426,39 4.666,40 3.51,41 3.574,42 5.687,43 3.504,44 4.168,45 4.315,46 3.551,47 3.476,48 5.666,49 3.457,50 4.294,51 4.487,52 3.304,53 3.421,54 5.598,55 3.373,56 0.076,57 0.641,58 8.362,59 3.912,60 8.281,61 4.921,62 0.238,63 1.004,64 15.479,65 6.645,66 29.812,67 8.818,68 0.252,69 1.277,70 20.947,71 8.944,72 40.467,73 11.583,74 0.416,75 1.382,76 29.143,77 10.231,78 68.04,79 14.053,80 0.552,81 1.161,82 25.632,83 8.423,84 95.468,85 11.421,86 0.415,87 0.881,88 19.768,89 6.786,90 79.921,91 9.31,92 0.253,93 0.738,94 12.913,95 5.109,96 52.263,97 6.467,98 0.41,99 0.795,100 16.608,101 4.88,102 68.839,103 5.977,104 38,105 40,106 0.272,107 0.576,108 0.667,109 0.748,110 0.774,111 0.782,112 3.267,113 0.881,114 -4.63,115 -4.55,116 -4.28,120 43.2,121 3,124 1,143 7,144 4,145 1,159 3,171 1,174 14,177 3,180 3,182 5,185 18,189 5,192 2,194 7,197 13,201 7,204 1,205 1,206 6,209 9,213 1,214 5,217 1,218 1,219 3,222 9,226 1,227 3,230 1,232 2,235 9,239 1,240 6,243 1,245 6,247 8,252 4,257 4,260 6,264 3,269 3,271 9,274 845,275 16.11,276 16.11,277 16.11,278 16.11,279 16.11,280 14.397,281 20.35,282 9.114,283 16.165,284 13.274,285 13.274,286 13.274,287 13.274,288 13.274,289 10.458,290 23.665,291 4.26,292 13.292,293 3.885,294 2.127,295 1.601,296 1.137,297 0.984,298 0.938,299 3.94,305 1,306 1,307 1,308 511,309 3.674,313 209.648,317 111.379,320 1.558,321 31.798,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.5,333 242,334 4.555,335 3.737,336 7.111,337 4.315,338 3.315,339 4.207,340 1.058,341 11.658,342 3.315,343 4.446,344 3.579,345 6.864,346 4.212,347 3.213,348 3.885,349 0.98,350 11.393,351 3.206,352 4.09,353 3.518,354 6.043,355 3.779,356 2.772,357 3.417,358 0.98,359 8.643,360 2.783,361 3.7,362 3.391,363 5.694,364 3.355,365 2.349,366 2.997,368 7.392,369 2.356,370 3.449,371 2.647,372 5.066,373 3.078,374 2.072,375 2.677,377 5.786,378 2.069,379 3.191,380 2.163,381 4.673,382 2.81,383 1.803,384 2.351,386 4.966,387 1.81,388 2.863,389 1.827,390 4.427,391 2.472,392 1.481,393 1.943,395 4.137,396 1.46,397 2.679,398 1.493,399 4.006,400 2.253,401 1.257,402 1.721,404 3.106,405 1.25,406 2.597,407 1.337,408 3.705,409 2.113,410 1.09,411 1.555,413 2.783,414 1.106,415 2.5,416 1.209,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 1.671,425 1,426 2.923,427 1.294,428 0.218,429 0.289,431 0.476,432 0.232,433 1.297,434 0.642,435 2.755,436 0.917,437 -0.09,438 -0.114,440 -0.237,441 -0.09,442 0.92,443 0.227,444 2.659,445 0.511,446 -0.507,447 -0.658,449 -1.225,450 -0.512,451 0.904,452 -0.201,453 2.408,454 0.451,455 -0.573,456 -0.769,458 -1.492,459 -0.578,460 0.533,461 -0.462,462 2.242,463 0.092,464 -0.935,465 -1,467 -2.352,468 -0.957,469 11.7,470 0.468,471 0.902,472 0.036,473 32.25,474 1.29,475 17,476 0.68,477 15.25,478 0.61,479 20.204,480 0.808,481 26.7,482 0.607,483 25.336,484 1.013,485 6.268,486 0.251,487 5.502,488 0.22,489 0.214,490 0.043,491 0.342,496 0.631,497 1.04,498 0.766,499 0.955,500 0.555,501 0.887,502 0.462,503 0.998,504 0.666,505 0.901,506 0.493,507 0.835,508 0.769,509 1.315,510 1.002,511 1.294,512 0.829,513 1.218,514 0.898,515 1.044,516 0.878,517 1.031,518 0.929,519 0.967,520 1.072,521 0.897,522 1.015,523 0.947,524 1.096,525 0.965,526 0.857,527 0.741,528 0.763,529 0.759,530 0.919,531 0.747,532 0.93,533 1.29,534 0.885,535 1.207,536 0.978,537 1.075,538 2.001,539 0.891,540 1.484,541 0.875,542 1.908,543 1.036,544 6.5,545 0.215,546 4,547 2.313,548 1.52,549 1.007,550 0.571,551 0.314,552 0.254,553 0.218,554 6711,555 18648,556 1.982,557 43.2,558 9,559 7,562 3,567 1.679,568 1.796,569 3.232,570 0.966,571 1,572 1,574 1,575 69.284,576 1.575,577 3.332,578 3.858,579 4.322,580 4.476,581 4.521,582 2.695,583 4.214,584 4.618,585 3.444,586 1033.34,587 7.979,588 12447,590 1,592 1,593 240.215,594 1.735,595 4.532,596 0.241,597 0.014,598 0.1,599 0.055,600 0.041,601 0.035,602 0.022,603 0.012,604 0.013,605 0.013,606 0.545,607 0.33,608 1,609 0.866,610 120.226,611 -0.021,612 0.145,613 0.017,614 0.079,615 -0.067,616 0.061,617 0.202,618 0.097,619 0.185,620 0.127,621 0.101,622 0.144,623 0.043,624 -0.274,625 -0.127,626 -0.271,627 -0.015,628 -0.245,629 0.041,630 -0.104,631 0.123,632 -0.055,633 0.01,634 0.03,635 0.044,636 0.046,637 0.013,638 0.006,639 0.036,640 0.006,641 0.154,642 0.176,643 0.26,644 0.225,645 0.137,646 0.26,647 0.192,648 -0.269,649 0.038,650 -0.204,651 0.226,652 -0.132,653 -0.493,654 0.133,655 -0.456,656 0.031,657 -0.362,658 -0.16,659 2.131,660 5.506,661 0.64,662 19.536,663 1.008,664 1.124,665 3.398,666 11.547,667 0.67,668 3.332,669 3.714,670 3.951,671 4.174,672 4.394,673 4.443,674 4.522,675 4.431,676 4.585,677 4.605,678 6.016,679 0.646,680 337.41,681 3.332,682 4.905,683 5.759,684 6.658,685 7.53,686 8.428,687 9.306,688 10.203,689 11.084,690 11.98,691 6.8,698 3,709 7,714 5,716 12,723 1,738 44,739 15,740 2,741 27,743 46,744 19,745 12,746 5,747 7,748 3,752 3,753 4,759 3,760 1,768 15,769 4,772 3,778 3,782 3,785 1,786 1,789 19,790 6,791 3,792 6,797 3,801 1,803 0.667,804 3,823 3,827 1,855 2,859 3,862 25,871 3,876 1,886 6.8,889 3,893 13.917,894 8.833,895 5.306,896 2.507,898 2.484,899 1.348,900 0.962,901 4.356,902 9.627,903 3.611,904 4.205,905 4.754,906 5.274,907 5.782,908 5.962,909 6.26,910 6.247,911 6.651,912 6.909,913 1,914 42,915 9.281,917 4.053,918 8.023,919 17.194,921 14.114,924 2.523,925 63.083,929 188.338,930 122.422,931 53.787,933 75.435,936 122.422,937 263.772,938 53.787,939 26.476,940 53.787,941 66.334,942 89.549,943 15.499,945 188.338,947 188.338,948 176.21,949 75.435,952 188.338,953 75.435,956 80.263,957 95.947,960 188.338,961 129.222,962 122.422,965 188.338,966 29.613,967 92.809,968 53.787,969 75.435,970 188.338,971 129.222,972 122.422,973 0.604,974 0.348,975 0.175,976 0.094,977 20,978 10,979 0.065,980 3,981 1,982 1.125,983 3.546,984 207.567,985 0.125,986 16,987 107.342,993 17.183,994 6.338,995 3.42,997 129.222,998 12.076,1003 2.286,1005 53.787,1006 439.982,1007 36,1013 36.385,1017 -1.221,1020 44.356,1021 49.445,1022 0.288,1023 0.61,1024 0.707,1025 0.792,1026 0.82,1027 0.828,1028 4.883,1029 1.257,1030 5.814,1031 4.137,1032 4.394,1033 4.89,1034 1.957,1035 6.696,1036 4.393,1037 6.128,1038 1.09,1039 7.435,1040 3.106,1041 4.29,1042 4.856,1044 7.93,1045 4.302,1046 7.468,1047 1,1048 9.167,1049 2.783,1050 6.116,1051 7.073,1052 1.973,1053 10.95,1054 6.111,1055 8.842,1056 0.218,1057 10.963,1058 2.275,1059 6.77,1060 7.781,1062 12.949,1063 6.778,1064 10.245,1065 -0.09,1066 12.799,1067 0.476,1068 8.164,1069 9.55,1070 1.995,1071 15.57,1072 8.159,1073 11.669,1074 -0.507,1075 14.662,1076 -0.237,1077 9.127,1078 10.599,1080 17.847,1081 9.131,1082 13.108,1083 -0.573,1084 16.543,1085 -1.225,1086 10.375,1087 12.182,1088 2.021,1089 20.347,1090 10.37,1091 3.315,1092 -0.935,1093 18.438,1094 -1.492,1095 11.464,1096 13.402,1098 22.728,1099 11.464,1100 3.213,1101 11.658,1102 20.344,1103 -2.352,1104 12.663,1105 14.899,1106 2.052,1107 25.189,1108 12.657,1109 2.772,1110 11.393,1111 22.258,1112 4.207,1113 13.804,1114 16.209,1116 27.609,1117 13.8,1118 2.349,1119 8.643,1120 24.179,1121 3.885,1122 14.988,1123 17.664,1124 2.089,1125 30.059,1126 14.981,1127 2.072,1128 7.392,1129 26.105,1130 3.417,1131 16.152,1132 19.023,1134 32.494,1135 16.145,1136 1.803,1137 5.786,1138 28.034,1139 2.997,1140 17.332,1141 20.46,1142 2.131,1143 34.94,1144 17.324,1145 1.481,1146 4.966,1147 29.968,1148 2.677,1149 18.506,1150 21.846,1152 37.382,1153 18.498,1154 6643,1155 11310,1156 17.107,1157 29.472,1158 42.15,1159 44.66,1160 42.75,1161 41.199,1162 41.138,1163 53.083,1164 6.036,1165 125.232,1166 41.176,1167 5.502,1168 5.737,1169 6.63,1170 5.351,1171 5.315,1172 7.207,1173 2.117,1174 18.851,1175 5.315,1176 15.513,1177 1.561,1178 1.654,1179 1.583,1180 1.526,1181 1.524,1182 1.966,1183 0.224,1184 4.638,1185 1.525,1186 4.03,1187 4.055,1188 3.991,1189 3.948,1190 7.439,1191 3.952,1192 3.941,1193 3.967,1194 3.887,1195 3.874,1196 7.428,1197 3.875,1198 3.621,1199 3.672,1200 3.515,1201 3.496,1202 7.421,1203 3.488,1204 3.445,1205 3.51,1206 3.363,1207 3.185,1208 4.738,1209 3.226,1210 3.26,1211 3.3,1212 3.185,1213 3.045,1214 4.671,1215 3.074,1216 3.098,1217 3.089,1218 3.061,1219 2.845,1220 4.224,1221 2.891,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 4.2,1227 2.715,1228 2.874,1229 3.009,1230 2.585,1231 2.618,1232 3.89,1233 2.57,1234 0.169,1235 0.138,1236 0.263,1237 0.16,1238 0.123,1239 4.555,1240 0.156,1241 3.737,1242 0.039,1243 7.111,1244 0.432,1245 4.315,1246 0.123,1247 3.315,1248 4.207,1249 1.058,1250 11.658,1251 3.315,1252 1.976,1253 1.953,1254 2.092,1255 2.079,1256 1.286,1257 2.074,1258 1.929,1259 1.908,1260 2.011,1261 2.026,1262 1.137,1263 2.029,1264 1.618,1265 1.568,1266 1.836,1267 1.78,1268 0.947,1269 1.798,1270 1.32,1271 1.269,1272 1.463,1273 1.626,1274 0.469,1275 1.589,1276 1.163,1277 1.125,1278 1.417,1279 1.418,1280 0.469,1281 1.39,1282 0.934,1283 0.932,1284 1.417,1285 1.239,1286 0.398,1287 1.308,1288 0.934,1289 0.821,1290 1.311,1291 1.239,1292 0.318,1293 1.308,1294 0.934,1295 0.804,1296 1.181,1297 1.222,1298 0.218,1299 1.147,1300 4.007,1302 5.371,1304 6.929,1306 8.573,1308 10.262,1310 6.298,1317 7.261,1322 -0.001,1326 28.423,1327 69.284,1328 146.608,1329 169.77,1330 190.176,1331 196.931,1332 198.931,1333 59.399,1334 7.142,1335 94.82,1336 94.82,1337 18,1338 12.507,1339 4,1340 3.322,1341 41.863,1342 91,1343 79,1344 0.23,1345 176.87,1346 313.99,1347 423.322,1348 11585,1350 18.19,1351 0.728,1352 0.571,1353 18.19,1354 14.266,1355 11.77,1356 0.436,1357 0.294,1358 7.836,1359 11.378,1360 7.518,1361 6.325,1362 11.77,1363 7.928,1364 11.655,1365 0.291,1366 0.173,1367 11.655,1368 6.918,1369 9.092,1370 0.178,1371 0.08,1372 9.092,1373 4.087,1374 7.332,1375 0.115,1376 0.041,1377 7.332,1378 2.65,1379 5.859,1380 0.073,1381 0.021,1382 5.859,1383 1.681,1384 0.358,1385 73.668,1386 0.242,1387 24.097,1388 0.634,1389 134,1390 408.205,1391 146.138,1392 396.833,1393 531.61,1394 366,1395 158,1396 385.749,1397 170.002,1398 393.893,1399 573.62,1400 368,1401 5.437}
{0 CHEMBL1452795,1 1.808,2 8.696,3 3.566,4 12.719,5 81.437,6 9.403,7 0.731,8 3.695,9 3.788,10 3.455,11 3.177,12 5.01,13 3.236,14 4.158,15 4.285,16 3.817,17 3.539,18 5.508,19 3.588,20 4.261,21 4.432,22 3.827,23 3.557,24 5.544,25 3.594,26 4.205,27 4.357,28 3.746,29 3.508,30 5.498,31 3.554,32 4.149,33 4.317,34 3.674,35 3.348,36 5.498,37 3.432,38 4.05,39 4.196,40 3.637,41 3.242,42 5.501,43 3.341,44 3.965,45 4.091,46 3.479,47 3.127,48 5.395,49 3.209,50 3.915,51 4.054,52 3.185,53 2.999,54 5.273,55 3.037,56 0.226,57 0.564,58 3.791,59 2.432,60 11.608,61 2.354,62 0.471,63 0.854,64 8.272,65 4.056,66 32.024,67 4.314,68 0.541,69 0.922,70 11.43,71 4.408,72 36.845,73 5.251,74 0.426,75 0.887,76 8.905,77 3.83,78 32.104,79 3.822,80 0.473,81 0.813,82 9.31,83 2.893,84 40.727,85 2.54,86 0.456,87 0.689,88 8.026,89 2.839,90 30.912,91 2.586,92 0.454,93 0.578,94 7.431,95 3.081,96 27.954,97 2.709,98 0.507,99 0.493,100 8.204,101 3.151,102 42.021,103 2.537,104 10,105 37,106 0.325,107 0.723,108 0.804,109 0.836,110 0.858,111 0.869,112 3.19,113 0.795,114 -3.21,115 -3.21,116 -3.08,120 42.4,121 1,126 1,143 4,144 2,145 1,147 1,150 1,153 1,160 1,162 1,167 3,174 6,176 5,177 2,180 1,182 1,185 6,188 5,189 5,192 3,194 2,197 3,200 1,201 9,204 1,206 2,213 1,214 13,217 1,219 1,226 5,227 11,239 2,240 9,243 2,247 1,251 2,252 4,260 2,263 4,269 1,271 2,274 715,275 16.008,276 16.008,277 16.008,278 16.008,279 16.008,280 13.66,281 8.404,282 9.544,283 16.454,284 12.839,285 12.839,286 12.839,287 12.839,288 12.839,289 9.135,290 6.094,291 4.469,292 13.452,293 3.236,294 1.018,295 0.568,296 0.387,297 0.265,298 0.205,299 3.891,305 1,306 1,307 1,308 443,309 3.24,312 69.247,313 73.924,316 175.477,319 80.275,320 1.214,321 23.856,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 52,333 200,334 4.852,335 3.633,336 7.06,337 4.347,338 3.371,339 4.982,340 2.172,341 12.205,342 3.294,343 4.324,344 3.39,345 6.182,346 3.778,347 2.829,348 4.226,349 0.262,350 9.192,351 2.676,352 3.793,353 2.835,354 5.719,355 3.341,356 2.391,357 3.25,359 7.432,360 2.255,361 3.635,362 2.28,363 5.622,364 3.145,365 2.177,366 3.124,368 7.033,369 2.1,370 3.539,371 2.102,372 5.021,373 3.052,374 2.082,375 2.88,377 6.024,378 2.013,379 3.029,380 1.816,381 4.471,382 2.477,383 1.54,384 2.274,386 4.377,387 1.446,388 2.813,389 1.567,390 3.826,391 2.288,392 1.314,393 1.967,395 2.978,396 1.273,397 2.661,398 1.32,399 3.663,400 2.144,401 1.19,402 1.686,404 2.743,405 1.132,406 2.569,407 1.224,408 3.46,409 2.063,410 1.095,411 1.528,413 2.397,414 1.052,415 2.252,416 1.082,417 3.44,418 1.9,419 0.931,420 1.146,422 1.907,423 0.893,424 2.065,425 0.782,426 3.131,427 1.553,428 0.588,429 0.853,431 1.355,432 0.562,433 1.704,434 0.433,435 2.678,436 1.11,437 0.144,438 0.218,440 0.343,441 0.138,442 0.987,443 0.151,444 2.654,445 0.478,446 -0.476,447 -0.582,449 -0.86,450 -0.45,451 0.769,452 -0.358,453 2.365,454 0.392,455 -0.588,456 -0.794,458 -1.359,459 -0.562,460 0.682,461 -0.615,462 2.296,463 0.243,464 -0.724,465 -1.064,467 -1.914,468 -0.699,469 10.4,470 0.452,471 0.483,472 0.021,473 33.75,474 1.467,475 17.5,476 0.761,477 16.25,478 0.707,479 14.227,480 0.619,481 23.8,482 0.721,483 23.572,484 1.025,485 6.84,486 0.297,487 4.435,488 0.193,489 0.08,491 0.385,496 0.648,497 1.15,498 0.566,499 0.996,500 0.567,501 0.815,502 0.629,503 1.06,504 0.618,505 0.93,506 0.478,507 0.822,508 0.596,509 0.955,510 0.638,511 0.797,512 0.536,513 0.761,514 1.003,515 1.285,516 0.935,517 1.078,518 1.114,519 0.997,520 1.335,521 1.169,522 1.047,523 0.845,524 1.567,525 0.803,526 1.181,527 0.942,528 0.906,529 0.921,530 1.168,531 0.813,532 1.38,533 1.027,534 1.069,535 1.182,536 1.472,537 1.074,538 1.807,539 0.904,540 1.531,541 1.163,542 1.996,543 1.269,544 3.5,545 0.045,546 2.667,547 2.056,548 0.897,549 0.823,550 0.506,551 0.272,552 0.205,553 0.101,554 5354,555 18433,556 2.168,557 30.3,559 6,562 1,564 3,567 1.663,568 2.06,569 3.087,570 -0.155,572 1,574 1,575 59.678,576 1.808,577 4.026,578 4.476,579 4.658,580 4.779,581 4.84,582 2.496,583 4.35,584 4.488,585 3.215,586 813.362,587 7.764,588 8936.87,589 1,590 1,591 1,592 1,593 166.465,594 1.302,595 4.469,596 0.135,597 0.009,598 0.072,599 0.056,600 0.026,601 0.027,602 0.017,603 0.011,604 0.012,605 0.009,606 0.374,607 0.33,608 1,609 1.486,610 105.384,611 0.107,612 -0.019,613 0.066,614 -0.027,615 -0.002,616 -0.009,617 0.213,618 -0.006,619 0.17,620 0.053,621 0.208,622 0.071,623 0.219,624 0.066,625 0.28,626 0.17,627 0.15,628 0.205,629 -0.193,630 -0.23,631 -0.108,632 -0.141,633 -0.172,634 -0.107,635 -0.381,636 -0.095,637 -0.168,638 0.008,639 -0.377,640 0.02,641 -0.088,642 0.107,643 -0.027,644 -0.044,645 -0.018,646 0.002,647 -0.114,648 -0.074,649 -0.146,650 -0.229,651 -0.073,652 -0.207,653 -0.392,654 -0.045,655 -0.498,656 -0.163,657 -0.329,658 -0.326,659 2.418,660 4.433,661 0.696,662 18.62,663 1.041,664 1.135,665 1.985,666 3.94,667 0.695,668 3.296,669 3.638,670 3.989,671 4.344,672 4.615,673 4.828,674 5.075,675 5.263,676 5.247,677 5.273,678 5.172,679 0.707,680 310.3,681 3.296,682 4.844,683 5.727,684 6.635,685 7.546,686 8.469,687 9.394,688 10.326,689 11.258,690 12.194,691 18.2,699 1,701 3,704 2,708 6,709 4,710 3,711 1,712 1,714 1,716 19,738 33,739 21,740 1,741 26,743 36,744 14,745 11,746 2,747 4,748 1,752 4,753 10,759 1,768 12,769 2,772 2,778 1,781 2,782 1,785 1,786 1,789 10,790 8,791 1,792 9,797 6,802 1,803 0.25,804 3,813 1,822 2,823 2,826 3,829 1,855 1,859 1,862 23,869 1,872 1,886 9.1,889 1,891 2,893 11.167,894 6.583,895 5.083,896 2.073,898 4.569,899 1.601,900 1.019,901 3.246,902 12.167,903 3.651,904 4.357,905 5.114,906 5.872,907 6.546,908 7.146,909 7.782,910 8.36,911 8.704,912 9.115,913 0.833,914 37,915 8.399,917 3.626,918 7.949,919 15.515,921 12.53,924 2.449,925 56.333,929 105.94,930 73.707,931 106.09,933 46.106,936 73.707,937 152.046,938 106.09,939 8.825,940 4.592,941 37.905,942 82.839,943 49.508,944 42.233,945 105.94,947 105.94,948 179.797,949 46.106,952 72.342,953 81.419,956 34.063,957 54.714,958 89.305,960 105.94,961 152.196,962 73.707,965 105.94,966 26.976,967 46.73,968 16.786,969 135.41,970 105.94,971 152.196,972 73.707,973 0.574,974 0.344,975 0.2,976 0.108,977 20,978 8,979 0.111,980 4,981 3,982 1.375,983 3.52,984 196.472,985 0.375,986 16,987 104.042,993 13.794,994 5.413,995 2.241,996 3.702,997 135.41,998 7.558,999 11.858,1000 3.118,1001 4.666,1003 0.463,1005 16.786,1006 331.843,1007 37.5,1013 11.433,1016 7.596,1017 -0.751,1020 34.36,1021 37.448,1022 0.359,1023 0.798,1024 0.887,1025 0.923,1026 0.947,1027 0.959,1028 4.873,1029 1.19,1030 5.714,1031 2.978,1032 4.317,1033 5.043,1034 2.221,1035 6.583,1036 4.235,1037 6.121,1038 1.095,1039 7.299,1040 2.743,1041 3.892,1042 4.997,1043 1.784,1044 7.591,1045 3.787,1046 7.461,1047 0.931,1048 8.991,1049 2.397,1050 5.948,1051 7.455,1052 3.463,1053 10.768,1054 5.795,1055 8.848,1056 0.588,1057 10.748,1058 1.907,1059 6.415,1060 8.324,1061 3.553,1062 12.667,1063 6.246,1064 10.274,1065 0.144,1066 12.547,1067 1.355,1068 7.915,1069 10.221,1070 4.87,1071 15.366,1072 7.71,1073 11.729,1074 -0.476,1075 14.376,1076 0.343,1077 8.794,1078 11.502,1079 5.235,1080 17.628,1081 8.575,1082 13.206,1083 -0.588,1084 16.227,1085 -0.86,1086 10.089,1087 13.195,1088 6.339,1089 20.181,1090 9.842,1091 3.371,1092 -0.724,1093 18.095,1094 -1.359,1095 11.153,1096 14.657,1097 6.865,1098 22.589,1099 10.892,1100 2.829,1101 12.205,1102 19.976,1103 -1.914,1104 12.378,1105 16.278,1106 7.84,1107 25.1,1108 12.094,1109 2.391,1110 9.192,1111 21.868,1112 4.982,1113 13.522,1114 17.817,1115 8.462,1116 27.563,1117 13.222,1118 2.177,1119 7.432,1120 23.769,1121 4.226,1122 14.727,1123 19.417,1124 9.359,1125 30.064,1126 14.407,1127 2.082,1128 7.033,1129 25.678,1130 3.25,1131 15.906,1132 20.988,1133 10.041,1134 32.549,1135 15.568,1136 1.54,1137 6.024,1138 27.594,1139 3.124,1140 17.109,1141 22.583,1142 10.891,1143 35.048,1144 16.751,1145 1.314,1146 4.377,1147 29.515,1148 2.88,1149 18.304,1150 24.169,1151 11.609,1152 37.542,1153 17.927,1154 5139,1155 9697,1156 17.8,1157 22.921,1158 39.855,1159 40.388,1160 40.578,1161 39.32,1162 39.305,1163 56.267,1164 4.868,1165 115.973,1166 37.669,1167 5.594,1168 5.633,1169 6.834,1170 5.417,1171 5.371,1172 7.982,1173 3.872,1174 19.462,1175 5.294,1176 8.708,1177 1.533,1178 1.553,1179 1.561,1180 1.512,1181 1.512,1182 2.164,1183 0.187,1184 4.46,1185 1.449,1186 4.236,1187 4.268,1188 4.222,1189 4.14,1190 7.437,1191 4.154,1192 3.843,1193 3.878,1194 3.82,1195 3.644,1196 5.446,1197 3.681,1198 3.602,1199 3.638,1200 3.539,1201 3.322,1202 5.012,1203 3.353,1204 3.4,1205 3.458,1206 3.317,1207 3.229,1208 4.69,1209 3.244,1210 3.247,1211 3.297,1212 3.133,1213 2.966,1214 4.474,1215 3.011,1216 3.019,1217 3.072,1218 2.941,1219 2.825,1220 4.389,1221 2.846,1222 2.746,1223 2.835,1224 2.647,1225 2.475,1226 4.092,1227 2.513,1228 2.636,1229 2.686,1230 2.572,1231 2.337,1232 3.715,1233 2.385,1234 0.187,1235 0.14,1236 0.272,1237 0.167,1238 0.13,1239 4.852,1240 0.192,1241 3.633,1242 0.084,1243 7.06,1244 0.469,1245 4.347,1246 0.127,1247 3.371,1248 4.982,1249 2.172,1250 12.205,1251 3.294,1252 1.966,1253 1.941,1254 2.043,1255 2.086,1256 1.178,1257 2.064,1258 1.831,1259 1.794,1260 1.869,1261 1.968,1262 0.966,1263 1.954,1264 1.497,1265 1.44,1266 1.804,1267 1.78,1268 0.937,1269 1.775,1270 1.264,1271 1.214,1272 1.344,1273 1.542,1274 0.409,1275 1.488,1276 1.028,1277 0.998,1278 1.159,1279 1.48,1280 0.259,1281 1.337,1282 1,1283 0.97,1284 1.114,1285 1.23,1286 0.122,1287 1.2,1288 0.867,1289 0.834,1290 0.952,1291 1.111,1292 0.049,1293 1.103,1294 0.711,1295 0.654,1296 0.934,1297 0.905,1299 0.926,1300 3.97,1302 5.303,1303 3.045,1304 6.841,1305 5.476,1306 8.48,1307 7.653,1308 10.179,1310 1.7,1315 0.234,1318 4.757,1326 23.326,1327 59.678,1328 132.855,1329 147.71,1330 153.71,1331 157.71,1332 159.71,1333 28.519,1334 7.598,1335 118.62,1336 118.62,1337 22,1338 12.693,1339 4.459,1340 3.644,1341 31.659,1342 69,1343 90,1344 0.228,1345 141.898,1346 226.33,1347 337.99,1348 19202,1350 15.811,1351 0.687,1352 0.521,1353 15.811,1354 11.977,1355 11.275,1356 0.434,1357 0.265,1358 6.73,1359 10.555,1360 6.642,1361 5.496,1362 11.275,1363 6.888,1364 9.997,1365 0.27,1366 0.127,1367 9.997,1368 4.69,1369 8.815,1370 0.166,1371 0.063,1372 8.815,1373 3.344,1374 7.879,1375 0.104,1376 0.032,1377 7.879,1378 2.421,1379 6.367,1380 0.064,1381 0.016,1382 6.367,1383 1.605,1384 0.344,1385 72.77,1386 0.237,1387 22.099,1388 0.67,1389 126,1390 473.765,1391 146.124,1392 447.674,1393 618.83,1394 418,1395 153,1396 483.397,1397 173.934,1398 475.004,1399 696.7,1400 446,1401 5.439}
{0 CHEMBL1452842,1 1.546,2 11.964,3 4.915,4 24.154,5 120.083,6 7.243,7 0.367,8 4.115,9 4.246,10 3.697,11 3.705,12 5.049,13 3.62,14 4.705,15 4.91,16 4.049,17 4.111,18 5.586,19 3.984,20 4.975,21 5.22,22 4.209,23 4.272,24 5.821,25 4.121,26 4.974,27 5.206,28 4.16,29 4.3,30 5.807,31 4.112,32 5.012,33 5.267,34 4.021,35 4.267,36 5.792,37 4.063,38 4.983,39 5.245,40 4.054,41 4.163,42 5.85,43 3.979,44 4.908,45 5.177,46 3.91,47 4.004,48 5.874,49 3.852,50 4.728,51 4.958,52 3.719,53 3.878,54 5.769,55 3.713,56 0.045,57 0.829,58 13.689,59 5.906,60 5.512,61 8.02,62 0.22,63 1.377,64 28.679,65 10.394,66 20.102,67 14.019,68 0.373,69 1.683,70 40.995,71 13.132,72 34.261,73 17.777,74 0.346,75 1.709,76 42.51,77 14.646,78 32.596,79 18.943,80 0.259,81 1.698,82 44.658,83 15.838,84 29.278,85 20.131,86 0.343,87 1.574,88 44.113,89 14.006,90 37.05,91 18.396,92 0.43,93 1.395,94 38.994,95 11.588,96 48.188,97 15.813,98 0.397,99 1.113,100 34.9,101 10.093,102 54.758,103 12.981,104 29,105 40,106 0.255,107 0.545,108 0.752,109 0.832,110 0.844,111 0.844,112 3.374,113 1.171,114 -4.75,115 -4.67,116 -4.38,120 37.9,121 2,122 5,126 5,143 3,144 2,145 2,147 2,159 1,174 6,177 7,180 1,182 1,185 12,189 4,194 1,197 8,201 5,204 1,209 14,214 2,219 2,222 8,226 1,227 2,232 4,235 7,239 1,240 5,243 1,245 4,247 5,252 3,257 1,260 3,264 4,269 1,271 6,274 1392,275 19.154,276 19.154,277 19.154,278 19.154,279 19.154,280 17.687,281 21.486,282 11.493,283 19.727,284 14.69,285 14.69,286 14.69,287 14.69,288 14.69,289 12.294,290 19.647,291 5.315,292 15.575,293 4.312,294 2.56,295 1.306,296 0.819,297 0.75,298 0.75,299 4.059,303 1,306 1,307 1,308 707,309 4.123,313 192.117,317 220.778,320 1.689,321 21.276,324 1,325 1,326 0.83,327 1,328 1,329 1,330 1,331 0.98,332 58.833,333 335,334 4.651,335 4.507,336 6.833,337 4.2,338 3.236,339 4.582,340 3.359,341 11.365,342 3.117,343 3.99,344 3.618,345 6.004,346 3.58,347 2.611,348 3.534,349 1.737,350 8.477,351 2.532,352 3.678,353 3.122,354 5.433,355 3.395,356 2.457,357 2.974,358 0.8,359 6.915,360 2.331,361 3.554,362 2.933,363 5.271,364 3.334,365 2.382,366 2.814,367 0.146,368 6.645,369 2.233,370 3.441,371 2.782,372 5.025,373 3.128,374 2.199,375 2.688,377 6.045,378 2.003,379 3.358,380 2.567,381 4.896,382 2.867,383 1.966,384 2.442,386 5.562,387 1.701,388 2.663,389 2.333,390 4.12,391 2.438,392 1.468,393 1.715,395 3.403,396 1.419,397 2.492,398 1.717,399 3.887,400 2.412,401 1.426,402 1.491,404 3.193,405 1.397,406 2.477,407 1.699,408 3.608,409 2.249,410 1.257,411 1.469,413 2.988,414 1.246,415 2.156,416 1.434,417 3.535,418 1.953,419 1.055,420 1.124,422 2.541,423 0.916,424 1.723,425 1.325,426 3.09,427 1.591,428 0.618,429 0.632,431 1.291,432 0.6,433 1.618,434 0.893,435 2.897,436 1.521,437 0.587,438 0.618,440 0.791,441 0.54,442 1.544,443 0.744,444 2.618,445 1.273,446 0.343,447 0.394,449 0.71,450 0.31,451 1.208,452 0.534,453 2.601,454 0.818,455 -0.114,456 -0.134,458 -0.247,459 -0.098,460 1.089,461 0.237,462 2.53,463 0.733,464 -0.199,465 -0.229,467 -0.39,468 -0.161,469 14.081,470 0.503,471 0.554,472 0.02,473 29.25,474 1.045,475 12,476 0.429,477 17.25,478 0.616,479 31.111,480 1.111,481 31.519,482 0.543,483 18.714,484 0.668,485 4.956,486 0.177,487 8.661,488 0.309,489 0.145,491 0.277,496 0.687,497 1.346,498 0.733,499 1.017,500 0.554,501 1.036,502 0.794,503 1.14,504 0.863,505 0.977,506 0.516,507 0.965,508 1.132,509 0.885,510 0.872,511 0.818,512 1.004,513 0.834,514 0.835,515 1.039,516 1.062,517 1.129,518 0.834,519 1.059,520 0.766,521 1.094,522 1.046,523 1.175,524 0.856,525 1.025,526 0.92,527 1.098,528 0.823,529 1.002,530 1.105,531 0.968,532 1.398,533 0.918,534 0.914,535 0.874,536 1.642,537 0.867,538 2.384,539 0.933,540 1.386,541 0.985,542 3.037,543 1.068,544 5,545 0.111,546 2.889,547 1.75,548 1.471,549 0.688,550 0.73,551 0.368,552 0.209,553 0.097,554 9834,555 22482,556 2.034,557 51.7,558 6,559 13,562 1,563 2,564 6,565 2,567 1.709,568 1.909,569 3.477,570 -0.358,575 89.694,576 1.546,577 3.298,578 4.552,579 5.039,580 5.108,581 5.108,582 2.901,583 4.379,584 4.774,585 3.714,586 1403.71,587 8.296,588 19247.4,590 1,593 339.763,594 1.379,595 4.74,596 0.167,597 0.006,598 0.072,599 0.041,600 0.038,601 0.019,602 0.021,603 0.012,604 0.009,605 0.005,606 0.39,607 0.17,608 1,609 2.218,610 142.448,612 -0.117,613 0.049,614 0.007,616 0.011,617 0.043,618 0.002,619 0.037,620 0.042,621 0.102,622 0.035,623 -0.077,624 0.174,625 0.1,626 0.173,627 -0.034,628 0.139,629 0.015,630 0.039,631 -0.014,632 -0.015,633 -0.014,634 -0.042,635 0.002,636 -0.078,637 -0.025,638 -0.052,639 -0.006,640 -0.005,641 0.098,642 -0.118,643 0.106,644 -0.017,645 0.05,646 0.005,647 0.049,648 0.032,649 0.056,650 0.027,651 0.053,652 0.063,653 -0.357,654 -0.006,655 -0.201,656 -0.046,657 -0.319,658 -0.127,659 1.562,660 5.376,661 0.5,662 29.224,663 0.99,664 1.127,665 3.523,666 12.41,667 0.666,668 3.434,669 3.714,670 3.97,671 4.22,672 4.489,673 4.605,674 4.745,675 4.852,676 4.905,677 4.762,678 7.15,679 0.606,680 420.07,681 3.434,682 4.949,683 5.784,684 6.648,685 7.509,686 8.388,687 9.265,688 10.154,689 11.04,690 11.936,691 5.2,694 1,698 1,701 1,708 2,709 3,710 1,714 4,716 11,737 1,738 58,739 12,740 1,741 30,743 60,744 22,745 9,746 3,747 3,752 3,753 6,754 1,759 2,763 4,766 5,768 10,769 12,772 1,778 1,782 1,789 30,790 4,791 1,792 6,793 2,797 3,803 0.333,804 1,816 1,823 3,827 2,838 1,851 1,855 1,856 1,857 1,859 2,860 1,862 28,869 10,871 1,873 1,875 1,885 1,886 1.7,889 1,893 14.667,894 10.876,895 6.444,896 4.109,898 2.461,899 1.331,900 0.962,901 8.161,902 9.889,903 3.624,904 4.167,905 4.727,906 5.324,907 5.95,908 6.338,909 6.723,910 7.091,911 7.396,912 7.264,913 0.875,914 43,915 10.425,917 4.289,918 7.54,919 20.649,921 16.959,924 2.04,925 57.111,928 1,929 341.362,930 120.709,931 37.921,932 39.149,933 25.145,935 32.22,936 88.49,937 405.656,938 37.921,939 17.65,940 40.006,941 28.429,942 46.635,943 18.835,945 373.581,946 39.149,947 341.362,948 126.41,949 25.145,950 71.368,952 247.193,953 119.314,956 65.682,957 43.943,958 55.934,959 32.22,960 341.362,961 63.066,962 159.858,965 341.362,966 74.63,967 49.203,968 18.011,969 81.079,970 341.362,971 63.066,972 159.858,973 0.564,974 0.331,975 0.175,976 0.096,977 17,978 8,979 0.15,980 9,981 2,982 1.286,983 3.988,984 230.591,985 0.286,986 14,987 130.606,989 1,993 21.576,994 10.591,995 5.705,996 2.055,997 63.066,998 5.894,999 4.855,1003 4.441,1005 18.011,1006 564.285,1007 36.5,1013 12.376,1017 0.105,1020 57.403,1021 65.381,1022 0.264,1023 0.563,1024 0.777,1025 0.86,1026 0.872,1027 0.872,1028 4.85,1029 1.426,1030 5.746,1031 3.403,1032 4.394,1033 4.852,1034 3.382,1035 6.532,1036 4.286,1037 6.021,1038 1.257,1039 7.287,1040 3.193,1041 3.892,1042 4.732,1043 1.668,1044 7.424,1045 3.72,1046 7.319,1047 1.055,1048 8.931,1049 2.988,1050 5.953,1051 7.049,1052 5.573,1053 10.537,1054 5.758,1055 8.656,1056 0.618,1057 10.64,1058 2.541,1059 6.293,1060 7.802,1061 3.531,1062 12.309,1063 6.048,1064 10.032,1065 0.587,1066 12.392,1067 1.291,1068 7.799,1069 9.627,1070 7.946,1071 14.964,1072 7.534,1073 11.434,1074 0.343,1075 14.176,1076 0.791,1077 8.555,1078 10.788,1079 5.911,1080 17.115,1081 8.249,1082 12.859,1083 -0.114,1084 15.984,1085 0.71,1086 9.838,1087 12.427,1088 10.351,1089 19.622,1090 9.51,1091 3.236,1092 -0.199,1093 17.811,1094 -0.247,1095 10.806,1096 13.783,1097 8.482,1098 21.934,1099 10.44,1100 2.611,1101 11.365,1102 19.653,1103 -0.39,1104 12.002,1105 15.349,1106 12.763,1107 24.39,1108 11.611,1109 2.457,1110 8.477,1111 21.508,1112 4.582,1113 13.075,1114 16.795,1115 11.074,1116 26.77,1117 12.646,1118 2.382,1119 6.915,1120 23.374,1121 3.534,1122 14.244,1123 18.332,1124 15.176,1125 29.208,1126 13.785,1127 2.199,1128 6.645,1129 25.249,1130 2.974,1131 15.367,1132 19.819,1133 13.65,1134 31.616,1135 14.871,1136 1.966,1137 6.045,1138 27.132,1139 2.814,1140 16.531,1141 21.346,1142 17.59,1143 34.049,1144 16.002,1145 1.468,1146 5.562,1147 29.02,1148 2.688,1149 17.678,1150 22.851,1151 16.206,1152 36.469,1153 17.112,1154 9748,1155 14989,1156 19.879,1157 38.637,1158 43.059,1159 47.441,1160 45.199,1161 43.355,1162 43.207,1163 52.953,1164 12.087,1165 119.851,1166 40.689,1167 5.61,1168 6.507,1169 6.535,1170 5.321,1171 5.236,1172 7.582,1173 6.685,1174 18.903,1175 5.117,1176 14.3,1177 1.435,1178 1.581,1179 1.507,1180 1.445,1181 1.44,1182 1.765,1183 0.403,1184 3.995,1185 1.356,1186 4.105,1187 4.127,1188 4.182,1189 4.061,1190 7.429,1191 4.051,1192 3.792,1193 3.868,1194 3.86,1195 3.664,1196 5.029,1197 3.648,1198 3.736,1199 3.78,1200 3.681,1201 3.598,1202 4.67,1203 3.599,1204 3.616,1205 3.676,1206 3.615,1207 3.451,1208 4.34,1209 3.425,1210 3.381,1211 3.436,1212 3.409,1213 3.282,1214 4.161,1215 3.238,1216 3.306,1217 3.407,1218 3.289,1219 3.123,1220 4.116,1221 3.105,1222 3.237,1223 3.28,1224 3.049,1225 3.111,1226 4,1227 3.089,1228 3.123,1229 3.198,1230 3.04,1231 2.964,1232 3.892,1233 2.957,1234 0.155,1235 0.15,1236 0.228,1237 0.14,1238 0.108,1239 4.651,1240 0.153,1241 4.507,1242 0.112,1243 6.833,1244 0.379,1245 4.2,1246 0.104,1247 3.236,1248 4.582,1249 3.359,1250 11.365,1251 3.117,1252 2.064,1253 2.046,1254 2.131,1255 2.135,1256 1.435,1257 2.142,1258 1.75,1259 1.709,1260 1.984,1261 1.965,1262 1.273,1263 1.977,1264 1.743,1265 1.669,1266 1.923,1267 1.862,1268 1.152,1269 1.891,1270 1.559,1271 1.499,1272 1.816,1273 1.799,1274 1.044,1275 1.805,1276 1.38,1277 1.333,1278 1.725,1279 1.584,1280 0.869,1281 1.638,1282 1.351,1283 1.256,1284 1.559,1285 1.555,1286 0.834,1287 1.588,1288 1.209,1289 1.168,1290 1.453,1291 1.353,1292 0.745,1293 1.382,1294 1.129,1295 1.053,1296 1.365,1297 1.337,1298 0.583,1299 1.371,1300 4.111,1302 5.398,1304 6.893,1306 8.494,1308 10.16,1310 4.344,1311 6.181,1315 9.767,1317 3.071,1319 1.646,1321 2.376,1326 35.169,1327 89.694,1328 191.287,1329 263.988,1330 292.253,1331 296.253,1332 296.253,1333 53.214,1334 7.428,1335 45.23,1336 70.53,1337 18,1338 12.463,1339 3.7,1340 2.907,1341 49.885,1342 116,1343 132,1344 0.203,1345 225.9,1346 389.95,1347 542.957,1348 17441,1349 1.7,1350 19.933,1351 0.712,1352 0.659,1353 20.786,1354 18.464,1355 13.618,1356 0.454,1357 0.39,1358 10.384,1359 12.539,1360 9.964,1361 8.263,1362 14.361,1363 11.712,1364 11.6,1365 0.29,1366 0.217,1367 12.532,1368 8.676,1369 9.683,1370 0.186,1371 0.13,1372 10.745,1373 6.785,1374 7.828,1375 0.117,1376 0.075,1377 8.898,1378 5.045,1379 6.37,1380 0.072,1381 0.042,1382 7.394,1383 3.657,1384 0.324,1385 91.475,1386 0.224,1387 27.071,1388 0.541,1389 140,1390 350.422,1391 185.872,1392 391.789,1393 525.86,1394 368,1395 162,1396 344.176,1397 201.961,1398 370.826,1399 545.49,1400 351,1401 4.763}
{0 CHEMBL1453089,1 1.507,2 9.81,3 3.893,4 15.155,5 82.644,6 7.952,7 0.696,8 3.661,9 3.766,10 3.294,11 3.273,12 4.87,13 3.25,14 4.128,15 4.263,16 3.602,17 3.65,18 5.438,19 3.609,20 4.348,21 4.536,22 3.532,23 3.742,24 5.378,25 3.649,26 4.389,27 4.616,28 3.412,29 3.675,30 5.34,31 3.559,32 4.287,33 4.52,34 3.397,35 3.567,36 5.334,37 3.473,38 4.209,39 4.418,40 3.324,41 3.477,42 5.359,43 3.398,44 4.027,45 4.233,46 3.114,47 3.285,48 5.177,49 3.193,50 3.851,51 4.09,52 2.83,53 2.979,54 5.012,55 2.873,56 0.108,57 0.477,58 6.032,59 3.001,60 4.583,61 3.78,62 0.161,63 0.753,64 10.567,65 4.89,66 33.888,67 6.103,68 0.115,69 0.915,70 14.916,71 6.638,72 22.027,73 8.646,74 0.152,75 0.946,76 17.09,77 7.013,78 27,79 9.445,80 0.123,81 0.848,82 15.728,83 6.335,84 20.694,85 8.611,86 0.173,87 0.758,88 14.445,89 5.715,90 33.416,91 7.261,92 0.13,93 0.638,94 11.694,95 4.823,96 22.027,97 6.18,98 0.207,99 0.514,100 10.885,101 4.059,102 23.555,103 5.441,104 8,105 31,106 0.27,107 0.532,108 0.707,109 0.833,110 0.857,111 0.857,112 3.103,113 0.87,114 -4.79,115 -4.7,116 -4.42,120 48.6,126 1,136 1,138 1,143 9,144 3,152 1,153 1,167 2,174 12,176 1,177 5,185 13,189 7,197 9,201 7,209 5,214 8,222 8,227 5,235 11,239 1,240 2,247 10,251 2,260 6,264 1,271 3,274 562,275 14.292,276 14.292,277 14.292,278 14.292,279 14.292,280 11.93,281 11.754,282 8.673,283 14.445,284 11.398,285 11.398,286 11.398,287 11.398,288 11.398,289 7.893,290 15.41,291 4.191,292 11.636,293 3.623,294 2.159,295 1.18,296 0.479,297 0.343,298 0.343,299 3.787,305 1,306 1,307 1,308 439,309 2.915,312 44.976,313 117.494,316 81.68,320 1.914,321 14.433,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45,333 206,334 4.555,335 3.673,336 6.548,337 4.066,338 3.1,339 4.507,340 2.612,341 10.369,342 3.001,343 3.974,344 3.167,345 5.515,346 3.549,347 2.559,348 3.528,349 0.522,350 7.441,351 2.533,352 3.89,353 2.716,354 5.295,355 3.373,356 2.387,357 3.446,359 6.794,360 2.352,361 3.678,362 2.358,363 4.89,364 3.084,365 2.117,366 3.142,368 5.383,369 2.044,370 3.201,371 1.841,372 4.595,373 2.739,374 1.764,375 2.492,377 4.949,378 1.716,379 2.938,380 1.515,381 4.187,382 2.466,383 1.472,384 2.125,386 3.731,387 1.463,388 2.805,389 1.38,390 3.586,391 2.312,392 1.331,393 1.93,395 2.997,396 1.302,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.405,407 1,408 3.242,409 1.69,410 0.7,411 1.097,413 1.632,414 0.692,415 2.099,416 0.907,417 3.018,418 1.531,419 0.539,420 0.849,422 1.252,423 0.534,424 1.233,425 0.679,426 2.727,427 0.886,428 -0.09,429 -0.116,431 -0.231,432 -0.087,433 1,434 0.116,435 2.299,436 0.426,437 -0.559,438 -0.746,440 -1.421,441 -0.549,442 0.851,443 -0.34,444 2,445 0.228,446 -0.763,447 -1.07,449 -2,450 -0.756,451 0.694,452 -0.682,453 1.957,455 -1,456 -1.463,458 -2.035,459 -1,460 0.5,461 -0.907,462 1.618,464 -1,465 -1.5,467 -2.347,468 -1,469 9.967,470 0.475,471 0.452,472 0.022,473 31.5,474 1.5,475 18.5,476 0.881,477 13,478 0.619,479 11.471,480 0.546,481 21.233,482 0.607,483 20.772,484 0.989,485 6.499,486 0.309,487 3.721,488 0.177,489 0.067,491 0.281,496 0.303,497 1.034,498 0.682,499 0.891,500 0.46,501 0.86,502 0.557,503 1.051,504 0.889,505 0.985,506 0.332,507 0.979,508 0.642,509 1.107,510 1.046,511 1.121,512 0.536,513 1.143,514 0.642,515 1.055,516 1.025,517 1.069,518 0.542,519 1.099,520 0.609,521 0.96,522 0.834,523 0.96,524 0.463,525 0.931,526 1.095,527 0.928,528 1.003,529 0.951,530 1.11,531 0.961,532 0.925,533 1.016,534 1.068,535 1.144,536 0.995,537 1.137,538 0.835,539 0.881,540 0.945,541 0.975,542 1.1,543 0.988,544 4,545 0.054,546 1.778,547 1.042,548 0.839,549 0.539,550 0.308,551 0.233,552 0.169,553 0.03,554 4602,555 14104,556 2.102,557 40,559 12,560 2,567 1.627,568 2,569 3.273,570 -0.797,572 1,574 1,575 52.735,576 1.507,577 2.971,578 3.95,579 4.651,580 4.786,581 4.786,582 2.761,583 3.916,584 4.355,585 3.429,586 720.159,587 7.446,588 7721.36,590 1,591 1,592 1,593 179.525,594 1.268,595 4.338,596 0.174,597 0.008,598 0.057,599 0.037,600 0.035,601 0.022,602 0.014,603 0.014,604 0.014,605 0.004,606 0.379,607 0.5,608 1,609 1.16,610 95.916,611 0.309,612 0.038,613 0.066,614 0.043,615 0.009,616 0.008,617 0.131,618 -0.007,619 -0.083,620 -0.043,621 0.255,622 -0.082,623 -0.055,624 -0.13,625 -0.161,626 -0.143,627 -0.021,628 -0.165,629 -0.028,630 -0.092,631 -0.067,632 -0.083,633 -0.019,634 -0.082,635 0.042,636 0.001,637 0.147,638 0.031,639 0.106,640 0.097,641 -0.108,642 0.019,643 -0.011,644 0.035,645 -0.084,646 0.03,647 -0.007,648 -0.069,649 -0.093,650 -0.163,651 -0.056,652 -0.148,653 0.242,654 0.042,655 0.126,656 0.02,657 0.023,658 0.041,659 2.454,660 3.358,661 0.714,662 20.109,663 1.005,664 1.112,665 3.559,666 12.669,667 0.7,668 3.178,669 3.466,670 3.689,671 3.951,672 4.159,673 4.205,674 4.357,675 4.477,676 4.466,677 4.407,678 5.785,679 0.675,680 278.33,681 3.178,682 4.691,683 5.517,684 6.378,685 7.229,686 8.1,687 8.963,688 9.84,689 10.711,690 11.592,691 5.7,699 1,703 1,708 2,709 10,714 2,715 1,716 16,738 35,739 19,740 2,741 23,743 37,744 17,745 14,746 4,747 8,748 2,752 3,753 4,768 16,769 1,772 3,775 1,778 2,780 2,786 1,789 14,790 2,792 4,797 2,803 0.667,804 2,818 1,822 1,823 2,826 1,845 1,850 1,855 2,862 21,869 1,886 5.7,892 2,893 10.5,894 6.233,895 4.639,896 1.982,898 3.599,899 1.527,900 1.003,901 3.735,902 10.425,903 3.555,904 4.186,905 4.757,906 5.353,907 5.904,908 6.228,909 6.725,910 7.185,911 7.438,912 7.687,913 0.857,914 28,915 7.686,917 3.213,918 7.889,919 14.57,921 11.774,924 2.389,925 50.167,929 164.795,930 126.051,931 7.569,933 50.747,936 126.051,937 215.542,938 7.569,939 5.67,940 11.153,941 103.81,943 10.843,944 25.686,945 141.253,946 50.747,947 164.795,948 133.62,949 50.747,952 164.795,954 50.747,956 4.005,957 120.139,958 9.476,960 164.795,961 58.316,962 126.051,965 164.795,966 13.194,967 120.426,969 50.747,970 164.795,971 58.316,972 126.051,973 0.571,974 0.31,975 0.167,976 0.096,977 15,978 6,979 0.108,980 4,981 1,982 1.133,983 3.455,984 155.788,985 0.133,986 15,987 86.239,993 13.438,994 5.837,995 3.137,996 2.202,997 50.747,998 20.174,1003 2.073,1004 2.172,1006 349.163,1007 34,1010 -0.454,1013 20.716,1015 2.468,1020 35.16,1021 38.907,1022 0.294,1023 0.579,1024 0.77,1025 0.907,1026 0.933,1027 0.933,1028 4.745,1029 1,1030 5.476,1031 2.997,1032 4.143,1033 4.871,1034 2.545,1035 6.232,1036 4.102,1037 5.964,1038 0.7,1039 6.993,1040 2.136,1041 3.611,1042 4.663,1043 2.361,1044 7.018,1045 3.531,1046 7.266,1047 0.539,1048 8.609,1049 1.632,1050 5.673,1051 7.133,1052 4.157,1053 10.107,1054 5.584,1055 8.607,1056 -0.09,1057 10.285,1058 1.252,1059 5.969,1060 7.779,1061 4.506,1062 11.785,1063 5.832,1064 9.978,1065 -0.559,1066 12.004,1067 -0.231,1068 7.487,1069 9.684,1070 5.948,1071 14.379,1072 7.342,1073 11.372,1074 -0.763,1075 13.754,1076 -1.421,1077 8.192,1078 10.75,1079 6.556,1080 16.441,1081 7.997,1082 12.785,1083 -1,1084 15.527,1085 -2,1086 9.475,1087 12.419,1088 7.794,1089 18.867,1090 9.266,1091 3.1,1092 -1,1093 17.319,1094 -2.035,1095 10.391,1096 13.702,1097 8.548,1098 21.092,1099 10.134,1100 2.559,1101 10.369,1102 19.127,1103 -2.347,1104 11.573,1105 15.269,1106 9.67,1107 23.46,1108 11.295,1109 2.387,1110 7.441,1111 20.947,1112 4.507,1113 12.596,1114 16.663,1115 10.509,1116 25.751,1117 12.272,1118 2.117,1119 6.794,1120 22.778,1121 3.528,1122 13.737,1123 18.188,1124 11.563,1125 28.099,1126 13.387,1127 1.764,1128 5.383,1129 24.617,1130 3.446,1131 14.812,1132 19.638,1133 12.452,1134 30.418,1135 14.421,1136 1.472,1137 4.949,1138 26.464,1139 3.142,1140 15.94,1141 21.147,1142 13.468,1143 32.76,1144 15.518,1145 1.331,1146 3.731,1147 28.316,1148 2.492,1149 17.041,1150 22.625,1151 14.386,1152 35.09,1153 16.58,1154 4505,1155 8010,1156 15.603,1157 24.489,1158 34.527,1159 35.229,1160 34.398,1161 33.969,1162 33.938,1163 49.233,1164 6.268,1165 93.371,1166 33.274,1167 5.32,1168 5.673,1169 6.35,1170 5.069,1171 5.1,1172 7.507,1173 4.612,1174 17.177,1175 5.001,1176 8.433,1177 1.501,1178 1.532,1179 1.496,1180 1.477,1181 1.476,1182 2.141,1183 0.273,1184 4.06,1185 1.447,1186 4.149,1187 4.182,1188 4.108,1189 4.063,1190 7.816,1191 4.07,1192 3.884,1193 3.915,1194 3.815,1195 3.829,1196 6.999,1197 3.82,1198 3.785,1199 3.818,1200 3.752,1201 3.521,1202 4.943,1203 3.551,1204 3.427,1205 3.471,1206 3.359,1207 3.177,1208 4.733,1209 3.22,1210 3.1,1211 3.161,1212 2.964,1213 2.988,1214 4.368,1215 2.975,1216 2.955,1217 3.003,1218 2.838,1219 2.76,1220 3.941,1221 2.781,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.807,1227 2.715,1228 2.709,1229 2.771,1230 2.577,1231 2.461,1232 3.674,1233 2.504,1234 0.198,1235 0.16,1236 0.285,1237 0.177,1238 0.135,1239 4.555,1240 0.196,1241 3.673,1242 0.114,1243 6.548,1244 0.451,1245 4.066,1246 0.13,1247 3.1,1248 4.507,1249 2.612,1250 10.369,1251 3.001,1252 1.977,1253 1.953,1254 2.071,1255 2.078,1256 1.23,1257 2.072,1258 1.9,1259 1.873,1260 2.017,1261 2,1262 1.129,1263 1.998,1264 1.551,1265 1.506,1266 1.695,1267 1.888,1268 0.807,1269 1.807,1270 1.509,1271 1.462,1272 1.644,1273 1.706,1274 0.643,1275 1.702,1276 1.123,1277 1.073,1278 1.362,1279 1.314,1280 0.464,1281 1.327,1282 0.898,1283 0.863,1284 1.181,1285 1.155,1286 0.218,1287 1.149,1288 0.886,1289 0.821,1290 1.042,1291 1.062,1292 0.131,1293 1.107,1294 0.758,1295 0.693,1296 1.036,1297 0.953,1298 0.056,1299 0.988,1300 3.85,1302 5.142,1303 2.398,1304 6.619,1305 4.727,1306 8.183,1307 6.823,1308 9.797,1315 0.814,1326 23.633,1327 52.735,1328 103.976,1329 138.241,1330 162.77,1331 167.525,1332 167.525,1333 26.783,1334 6.825,1335 50.75,1336 50.75,1337 17,1338 12.13,1339 4.322,1340 3.585,1341 32.338,1342 72,1343 70,1344 0.225,1345 146.895,1346 248.7,1347 350.183,1348 7728,1350 14.656,1351 0.698,1352 0.54,1353 14.656,1354 11.346,1355 10.22,1356 0.444,1357 0.29,1358 6.596,1359 9.864,1360 6.455,1361 5.38,1362 10.22,1363 6.668,1364 9.151,1365 0.295,1366 0.156,1367 9.151,1368 4.849,1369 7.177,1370 0.184,1371 0.087,1372 7.177,1373 3.38,1374 5.954,1375 0.117,1376 0.047,1377 5.954,1378 2.387,1379 4.888,1380 0.078,1381 0.026,1382 4.888,1383 1.612,1384 0.354,1385 63.833,1386 0.253,1387 21.098,1388 0.615,1389 108,1390 328.761,1391 116.258,1392 322.687,1393 433.4,1394 298,1395 124,1396 321.182,1397 131.986,1398 323.703,1399 460.84,1400 303,1401 5.244}
{0 CHEMBL1453190,1 1.847,2 9.381,3 2.48,4 6.15,5 85.159,6 9.395,7 0.696,8 3.651,9 3.73,10 3.642,11 3.346,12 4.749,13 3.27,14 4.161,15 4.277,16 3.936,17 3.696,18 5.557,19 3.612,20 4.348,21 4.523,22 3.862,23 3.732,24 5.57,25 3.62,26 4.267,27 4.436,28 3.705,29 3.65,30 5.491,31 3.513,32 4.105,33 4.272,34 3.456,35 3.486,36 5.325,37 3.372,38 4.006,39 4.186,40 3.293,41 3.35,42 5.163,43 3.243,44 3.955,45 4.192,46 3.291,47 3.257,48 4.894,49 3.07,50 3.751,51 3.974,52 3.309,53 3.019,54 4.961,55 2.861,56 0.088,57 0.534,58 7.114,59 3.483,60 14.45,61 3.377,62 0.307,63 0.87,64 14.453,65 5.963,66 48.468,67 6.104,68 0.357,69 1,70 19.762,71 7.514,72 50.847,73 7.242,74 0.353,75 0.922,76 21.641,77 7.51,78 46.962,79 6.668,80 0.237,81 0.743,82 17.132,83 6.349,84 35.112,85 6.276,86 0.211,87 0.663,88 10.034,89 4.657,90 30.574,91 5.427,92 0.158,93 0.655,94 16.429,95 5.678,96 18.884,97 6.423,98 0.241,99 0.526,100 12.471,101 4.594,102 25.393,103 5.128,104 13,105 33,106 0.334,107 0.651,108 0.771,109 0.832,110 0.832,111 0.832,112 3.103,113 1.156,114 -2.04,115 -2.09,116 -2.07,120 41.2,121 1,126 1,143 6,144 1,145 1,146 1,147 1,162 2,174 5,176 1,177 5,180 2,182 2,185 5,188 1,189 6,194 3,197 5,201 7,206 1,209 4,214 6,222 5,227 4,230 1,232 1,235 6,247 3,251 2,252 2,255 1,257 1,264 1,269 1,271 1,274 526,275 14.041,276 14.041,277 14.041,278 14.041,279 14.041,280 11.905,281 5.455,282 8.092,283 14.635,284 11.286,285 11.286,286 11.286,287 11.286,288 11.286,289 7.963,290 3.475,291 3.789,292 12.109,293 3.24,294 1.493,295 0.831,296 0.493,297 0.493,298 0.493,299 3.781,305 1,306 1,307 1,308 423,309 3.24,312 44.531,313 125.665,316 87.649,320 1.696,321 23.657,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 197,334 4.693,335 4.451,336 6.727,337 4.138,338 3.209,339 4.487,341 10.948,342 2.962,343 4.507,344 3.061,345 6.372,346 3.969,347 3.057,348 4.436,350 9.882,351 2.793,352 4.051,353 2.675,354 5.906,355 3.589,356 2.619,357 3.685,359 8.246,360 2.526,361 3.609,362 2.363,363 5.248,364 3.179,365 2.222,366 3.007,368 6.623,369 2.117,370 3.032,371 1.552,372 4.414,373 2.479,374 1.532,375 2.298,377 4.312,378 1.445,379 3.015,380 1.532,381 4.295,382 2.426,383 1.529,384 2.261,386 3.915,387 1.353,388 2.649,389 1.225,390 3.594,391 2.105,392 1.174,393 1.717,395 2.837,396 1.076,397 2.5,398 1,399 3.424,400 2,401 1,402 1.5,404 2.275,405 1,406 1.847,407 0.993,408 3.414,409 1.419,410 0.461,411 0.521,413 0.86,414 0.435,415 1.553,416 0.347,417 3,418 1.218,419 0.347,420 0.485,422 0.676,423 0.297,424 1.321,425 0.088,426 2.76,427 0.943,428 -0.019,429 -0.024,431 -0.046,432 -0.018,433 1,434 -0.465,435 2.488,436 0.273,437 -0.688,438 -0.917,440 -1.844,441 -0.651,442 0.737,443 -0.684,444 2,445 0.084,446 -0.89,447 -1.282,449 -2.344,450 -0.853,451 0.546,452 -0.889,453 2,455 -1,456 -1.5,458 -2.625,459 -0.893,460 0.5,461 -1,462 2,464 -1,465 -1.5,467 -3,468 -1,469 10.533,470 0.502,471 0.6,472 0.029,473 30.75,474 1.464,475 17.5,476 0.833,477 13.25,478 0.631,479 14.029,480 0.668,481 21.867,482 0.643,483 19.411,484 0.924,485 5.572,486 0.265,487 4.5,488 0.214,489 0.111,490 0.079,491 0.237,496 0.497,497 1.206,498 0.773,499 1.077,500 0.669,501 0.845,502 0.551,503 1.225,504 0.967,505 1.088,506 0.547,507 0.929,508 1.31,509 0.915,510 1.027,511 0.856,512 1.224,513 0.858,514 1.5,515 0.914,516 1.4,517 1.077,518 1.347,519 0.988,520 1.2,521 0.997,522 1.192,523 1.102,524 1.166,525 1.056,526 0.968,527 0.962,528 0.715,529 0.84,530 1.08,531 1.134,532 0.5,533 1.005,534 0.653,535 0.871,536 0.471,537 1.056,538 0.362,539 0.882,540 0.676,541 0.952,542 0.61,543 0.892,544 5.5,545 0.099,546 2.444,547 1.292,548 1.089,549 0.518,550 0.276,551 0.3,552 0.126,553 0.179,554 4536,555 15211,556 2.062,557 38.2,559 8,561 1,562 1,564 3,567 1.626,568 1.924,569 3.207,570 -0.197,572 1,574 1,575 62.81,576 1.847,577 3.594,578 4.256,579 4.595,580 4.595,581 4.595,582 2.743,583 3.594,584 4.363,585 3.378,586 709.368,587 7.446,588 7587.44,589 1,590 1,592 1,593 172.974,594 1.565,595 4.311,596 0.239,597 0.01,598 0.074,599 0.043,600 0.044,601 0.024,602 0.015,603 0.021,604 0.01,605 0.015,606 0.495,607 0.33,608 1,609 1.238,610 95.657,611 0.108,612 -0.129,613 0.182,614 -0.061,615 -0.166,616 0.033,617 0.328,618 -0.173,619 0.009,620 -0.091,621 0.286,622 -0.033,623 -0.22,624 0.093,625 -0.044,626 0.118,627 -0.133,628 0.083,629 -0.359,630 0.121,631 -0.263,632 0.012,633 -0.182,634 -0.026,635 -0.201,636 -0.062,637 -0.228,638 -0.119,639 -0.08,640 -0.082,641 -0.086,642 -0.085,643 -0.072,644 -0.093,645 -0.167,646 -0.209,647 0.1,648 -0.115,649 0.237,650 0.033,651 0.011,652 0.002,653 0.554,654 0.05,655 0.416,656 0.083,657 0.269,658 0.177,659 4.16,660 4.511,661 0.714,662 17.578,663 1.016,664 1.113,665 0.805,666 0.649,667 0.736,668 3.178,669 3.526,670 3.738,671 3.97,672 4.174,673 4.22,674 4.357,675 4.5,676 4.443,677 4.489,678 5.677,679 0.691,680 319.44,681 3.178,682 4.727,683 5.565,684 6.45,685 7.306,686 8.194,687 9.057,688 9.945,689 10.813,690 11.701,691 8.8,696 1,701 2,708 2,709 7,710 2,713 1,714 3,716 16,738 34,739 18,740 1,741 23,743 36,744 14,745 12,746 2,747 4,752 3,753 4,759 1,768 12,769 2,772 2,776 1,778 2,785 1,786 1,789 13,790 5,791 1,792 7,793 2,797 3,803 0.667,804 2,816 1,822 1,823 2,826 1,855 2,857 2,859 1,862 21,866 1,869 1,871 1,879 1,886 5.9,889 2,893 10.917,894 6.4,895 4.556,896 2.029,898 3.301,899 1.484,900 1.021,901 3.809,902 10.125,903 3.526,904 4.216,905 4.737,906 5.357,907 5.911,908 6.255,909 6.728,910 7.208,911 7.417,912 7.798,913 1,914 30,915 7.894,917 3.535,918 7.933,919 14.672,921 12.203,924 2.433,925 51.083,929 141.253,930 122.048,931 49.976,933 44.313,935 37.085,936 84.963,937 185.566,938 49.976,939 8.825,940 0.9,941 62.665,942 107.307,943 17.134,945 160.76,947 141.253,948 134.939,949 44.313,950 37.085,952 105.94,953 79.626,956 22.163,957 62.8,958 55.783,959 31.278,960 141.253,961 94.289,962 122.048,964 5.807,965 141.253,966 41.51,967 74.73,968 16.405,969 77.884,970 141.253,971 94.289,972 122.048,973 0.589,974 0.331,975 0.164,976 0.089,977 17,978 7,979 0.111,980 4,981 1,982 1.133,983 3.369,984 158.795,985 0.133,986 15,987 84.239,989 1,992 1,993 14.27,994 5.605,995 3.158,996 1.761,997 94.289,998 12.702,999 8.79,1002 1.513,1003 2.367,1005 16.405,1006 357.59,1007 33,1011 -3.244,1013 23.023,1020 34.531,1021 37.83,1022 0.363,1023 0.706,1024 0.837,1025 0.903,1026 0.903,1027 0.903,1028 4.754,1029 1,1030 5.595,1031 2.837,1032 4.205,1033 4.902,1035 6.431,1036 4.07,1037 6.021,1038 0.461,1039 7.177,1040 2.275,1041 4.007,1042 5.037,1044 7.618,1045 3.783,1046 7.388,1047 0.347,1048 8.865,1049 0.86,1050 5.894,1051 7.296,1053 10.55,1054 5.618,1055 8.796,1056 -0.019,1057 10.615,1058 0.676,1059 6.479,1060 8.209,1062 12.485,1063 6.09,1064 10.236,1065 -0.688,1066 12.403,1067 -0.046,1068 7.89,1069 9.995,1071 15.01,1072 7.457,1073 11.696,1074 -0.89,1075 14.216,1076 -1.844,1077 8.794,1078 11.23,1080 17.21,1081 8.245,1082 13.171,1083 -1,1084 16.046,1085 -2.344,1086 10.034,1087 12.84,1089 19.619,1090 9.431,1091 3.209,1092 -1,1093 17.888,1094 -2.625,1095 11.074,1096 14.216,1098 21.919,1099 10.362,1100 3.057,1101 10.948,1102 19.738,1103 -3,1104 12.251,1105 15.756,1107 24.295,1108 11.473,1109 2.619,1110 9.882,1111 21.595,1112 4.487,1113 13.349,1114 17.194,1116 26.636,1117 12.471,1118 2.222,1119 8.246,1120 23.458,1121 4.436,1122 14.504,1123 18.706,1125 29.005,1126 13.552,1127 1.532,1128 6.623,1129 25.325,1130 3.685,1131 15.628,1132 20.174,1134 31.364,1135 14.582,1136 1.529,1137 4.312,1138 27.196,1139 3.007,1140 16.776,1141 21.674,1143 33.735,1144 15.652,1145 1.174,1146 3.915,1147 29.07,1148 2.298,1149 17.914,1150 23.155,1152 36.104,1153 16.7,1154 4445,1155 8267,1156 15.197,1157 25.029,1158 34.217,1159 35.484,1160 35.395,1161 34.266,1162 34.298,1163 48.794,1165 101.15,1166 32.012,1167 5.491,1168 6.451,1169 6.41,1170 5.253,1171 5.209,1172 7.487,1174 17.562,1175 4.962,1176 9.944,1177 1.488,1178 1.543,1179 1.539,1180 1.49,1181 1.491,1182 2.121,1184 4.398,1185 1.392,1186 4.082,1187 4.095,1188 4.722,1189 4.052,1190 7.716,1191 4.005,1192 3.98,1193 3.968,1194 4.321,1195 3.95,1196 6.999,1197 3.847,1198 3.778,1199 3.786,1200 3.766,1201 3.728,1202 5.058,1203 3.682,1204 3.284,1205 3.33,1206 3.421,1207 3.25,1208 4.722,1209 3.191,1210 3.155,1211 3.214,1212 2.973,1213 2.958,1214 4.333,1215 2.913,1216 2.854,1217 2.925,1218 2.828,1219 2.735,1220 3.971,1221 2.715,1222 2.774,1223 2.842,1224 2.7,1225 2.66,1226 3.857,1227 2.642,1228 2.759,1229 2.8,1230 2.687,1231 2.601,1232 3.731,1233 2.594,1234 0.204,1235 0.194,1236 0.292,1237 0.18,1238 0.14,1239 4.693,1240 0.195,1241 4.451,1243 6.727,1244 0.476,1245 4.138,1246 0.129,1247 3.209,1248 4.487,1250 10.948,1251 2.962,1252 1.929,1253 1.918,1254 1.996,1255 2.019,1256 1.193,1257 2.05,1258 1.831,1259 1.802,1260 1.903,1261 1.944,1262 1.073,1263 1.944,1264 1.724,1265 1.742,1266 1.801,1267 1.834,1268 0.968,1269 1.891,1270 1.244,1271 1.225,1272 1.248,1273 1.419,1274 0.495,1275 1.455,1276 1.062,1277 1.027,1278 1.181,1279 1.253,1280 0.341,1281 1.274,1282 0.917,1283 0.882,1284 1.092,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 0.988,1291 0.994,1292 0.18,1293 1.047,1294 0.683,1295 0.63,1296 0.864,1297 0.901,1299 0.921,1300 3.85,1302 5.187,1303 2.398,1304 6.711,1305 4.727,1306 8.307,1307 6.843,1308 9.938,1310 1.602,1315 0.054,1317 2.516,1326 23.502,1327 62.81,1328 122.203,1329 144.709,1330 156.219,1331 156.219,1332 156.219,1333 34.539,1334 6.824,1335 71.95,1336 108.57,1337 17,1338 12.236,1339 4.248,1340 3.459,1341 32.419,1342 72,1343 65,1344 0.227,1345 153.028,1346 250.1,1347 365.15,1348 7513,1350 14.872,1351 0.708,1352 0.615,1353 15.476,1354 12.909,1355 10.072,1356 0.438,1357 0.385,1358 6.54,1359 8.518,1360 6.157,1361 5.113,1362 11.333,1363 8.866,1364 9.539,1365 0.289,1366 0.225,1367 11.542,1368 7.418,1369 7.634,1370 0.186,1371 0.129,1372 9.355,1373 5.287,1374 5.953,1375 0.114,1376 0.065,1377 7.416,1378 3.378,1379 4.823,1380 0.075,1381 0.036,1382 6.025,1383 2.297,1384 0.357,1385 75.291,1386 0.257,1387 20.972,1388 0.616,1389 112,1390 356.815,1391 182.078,1392 389.067,1393 527.45,1394 358,1395 130,1396 349.442,1397 203.073,1398 402.571,1399 584.85,1400 377,1401 4.032}
{0 CHEMBL1453386,1 1.585,2 10.536,3 5.128,4 26.297,5 111.193,6 8.402,7 0.677,8 3.929,9 4.034,10 3.652,11 3.596,12 5.11,13 3.55,14 4.419,15 4.563,16 4.032,17 3.975,18 5.53,19 3.911,20 4.627,21 4.785,22 4.155,23 4.103,24 5.767,25 4.025,26 4.704,27 4.908,28 4.148,29 4.111,30 5.831,31 4.002,32 4.63,33 4.818,34 4.016,35 4.041,36 5.811,37 3.921,38 4.58,39 4.764,40 3.929,41 3.971,42 5.737,43 3.847,44 4.535,45 4.736,46 3.753,47 3.806,48 5.779,49 3.699,50 4.463,51 4.704,52 3.483,53 3.655,54 5.605,55 3.549,56 0.01,57 0.65,58 7.731,59 3.929,60 8.403,61 4.712,62 0.123,63 1.084,64 17.041,65 7.149,66 15.499,67 8.613,68 0.181,69 1.333,70 21.57,71 8.446,72 29.121,73 9.601,74 0.194,75 1.454,76 25.669,77 9.952,78 33.468,79 12.053,80 0.319,81 1.358,82 25.913,83 9.231,84 44.652,85 9.936,86 0.146,87 1.217,88 24.879,89 9.562,90 31.495,91 10.857,92 0.226,93 1.138,94 21.772,95 8.485,96 52.992,97 9.979,98 0.261,99 1.081,100 23.742,101 7.94,102 55.603,103 9.195,104 18,105 44,106 0.266,107 0.616,108 0.733,109 0.845,110 0.884,111 0.884,112 3.375,113 0.954,114 -4.45,115 -4.38,116 -4.13,120 47.8,121 2,126 1,143 9,144 3,145 1,147 1,153 1,154 1,159 2,162 1,174 11,176 1,177 7,180 1,182 2,185 12,189 8,194 3,197 5,200 2,201 10,206 2,209 7,213 1,214 3,217 1,219 1,222 10,227 6,232 1,235 8,239 1,240 7,243 1,245 3,247 6,252 4,257 2,260 4,263 1,264 5,267 1,269 1,271 10,274 1268,275 19.024,276 19.024,277 19.024,278 19.024,279 19.024,280 16.274,281 15.7,282 11.153,283 19.382,284 15.264,285 15.264,286 15.264,287 15.264,288 15.264,289 10.979,290 18.082,291 5.227,292 15.891,293 3.938,294 1.849,295 1.148,296 0.484,297 0.25,298 0.25,299 4.071,306 1,307 1,308 643,309 3.391,312 43.861,313 215.127,316 179.336,320 1.459,321 22.135,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 59,333 295,334 4.833,335 4.486,336 7.063,337 4.301,338 3.361,339 4.932,340 3.359,341 12.208,342 3.166,343 4.182,344 4.083,345 6.234,346 3.704,347 2.717,348 3.867,349 2.035,350 9.128,351 2.679,352 4.072,353 3.609,354 5.722,355 3.686,356 2.706,357 3.661,358 1.737,359 7.722,360 2.649,361 3.789,362 3.199,363 5.581,364 3.343,365 2.407,366 3.214,367 0.146,368 7.582,369 2.283,370 3.61,371 2.757,372 5.209,373 3.192,374 2.226,375 2.851,377 6.065,378 2.089,379 3.367,380 2.742,381 5.01,382 2.893,383 1.925,384 2.741,386 5.898,387 1.859,388 3.245,389 2.528,390 4.626,391 2.802,392 1.81,393 2.398,395 4.89,396 1.789,397 3.187,398 2.135,399 4.541,400 2.48,401 1.519,402 2.234,404 4.367,405 1.456,406 2.95,407 2.025,408 3.786,409 2.331,410 1.353,411 1.966,413 2.989,414 1.315,415 2.819,416 1.641,417 3.593,418 2.183,419 1.187,420 1.733,422 2.6,423 1.182,424 2.66,425 1.433,426 3.481,427 1.928,428 1,429 1.544,431 2.262,432 0.917,433 2.021,434 1.24,435 3.403,436 1.539,437 0.645,438 0.85,440 1.542,441 0.564,442 1.839,443 1.087,444 3.038,445 1.261,446 0.341,447 0.464,449 0.809,450 0.309,451 1.399,452 0.638,453 2.651,454 0.817,455 -0.134,456 -0.196,458 -0.251,459 -0.125,460 1.184,461 0.528,462 2.588,463 0.741,464 -0.235,465 -0.34,467 -0.534,468 -0.227,469 13.767,470 0.492,471 0.695,472 0.025,473 41.25,474 1.473,475 23.5,476 0.839,477 17.75,478 0.634,479 21.439,480 0.766,481 27.633,482 0.601,483 29.538,484 1.055,485 7.87,486 0.281,487 5.693,488 0.203,489 0.126,491 0.356,496 0.713,497 1.101,498 0.702,499 0.853,500 0.509,501 0.819,502 0.569,503 1.132,504 0.898,505 1.033,506 0.461,507 0.878,508 1.214,509 1.181,510 1.034,511 1.061,512 0.982,513 0.991,514 0.839,515 1.022,516 0.953,517 0.978,518 0.662,519 0.911,520 1.47,521 0.864,522 1.455,523 1.082,524 1.505,525 1.003,526 1.214,527 1.147,528 1.32,529 1.3,530 1.202,531 1.122,532 1.396,533 1.151,534 1.095,535 1.143,536 1.7,537 1.121,538 1.691,539 0.896,540 1.23,541 0.968,542 1.665,543 0.913,544 5.5,545 0.152,546 2.889,547 2.604,548 1.92,549 0.941,550 0.648,551 0.415,552 0.251,553 0.212,554 9733,555 26462,556 2.094,557 39.1,558 6,559 11,562 1,567 1.712,568 1.953,569 3.351,570 -0.358,575 72.918,576 1.585,577 3.674,578 4.376,579 5.04,580 5.273,581 5.273,582 2.691,583 4.593,584 4.779,585 3.545,586 1340.11,587 8.318,588 17617.2,593 254.084,594 1.432,595 4.736,596 0.177,597 0.006,598 0.066,599 0.057,600 0.044,601 0.025,602 0.019,603 0.014,604 0.01,605 0.008,606 0.425,607 0.17,608 1,609 0.744,610 139.985,611 -0.031,612 -0.082,613 0.059,614 0.024,615 -0.012,616 0.025,617 0.216,618 -0.11,619 0.075,620 -0.044,621 0.061,622 0.035,623 -0.122,624 -0.138,625 -0.03,626 -0.079,627 -0.119,628 -0.09,629 0.084,630 0.005,631 0.145,632 0.061,633 0.115,634 0.066,635 -0.183,636 0.227,637 -0.207,638 0.028,639 -0.177,640 -0.062,641 -0.07,642 -0.176,643 -0.106,644 -0.17,645 -0.013,646 -0.123,647 0.034,648 -0.198,649 -0.077,650 -0.154,651 -0.071,652 -0.149,653 -0.258,654 0.102,655 -0.137,656 0.045,657 -0.159,658 0.089,659 1.741,660 5.434,661 0.679,662 25.469,663 1,664 1.109,665 3.221,666 10.374,667 0.727,668 3.466,669 3.807,670 4.111,671 4.443,672 4.691,673 4.828,674 4.942,675 5.05,676 5.037,677 5.037,678 6.45,679 0.689,680 386.51,681 3.466,682 5.017,683 5.883,684 6.783,685 7.673,686 8.584,687 9.485,688 10.403,689 11.311,690 12.233,691 8.7,698 1,699 1,700 1,701 1,708 3,709 9,710 1,714 5,716 21,718 1,738 46,739 23,740 2,741 31,743 49,744 22,745 17,746 4,747 8,752 4,753 7,759 2,767 1,768 18,769 3,772 1,778 1,782 1,789 18,790 4,791 1,792 6,793 1,794 1,797 4,803 0.5,804 1,816 1,822 1,823 3,826 2,838 1,855 2,856 1,857 1,859 2,862 28,869 1,871 1,873 1,877 1,882 1,884 1,886 2.2,889 1,893 14.333,894 9.183,895 6.167,896 2.689,898 4.194,899 1.542,900 1.019,901 4.98,902 11.929,903 3.818,904 4.474,905 5.153,906 5.871,907 6.487,908 6.951,909 7.427,910 7.876,911 8.117,912 8.398,913 0.857,914 46,915 10.318,917 4.402,918 7.762,919 19.64,921 16.143,924 2.262,925 63.333,928 1,929 200.109,930 176.801,931 67.142,933 25.145,935 32.22,936 144.582,937 225.254,938 67.142,939 17.65,940 18.91,941 85.286,942 64.952,943 47.925,944 2.144,945 232.328,947 200.109,948 211.724,949 25.145,950 32.22,952 200.109,953 25.145,956 73.888,957 121.05,958 16.786,959 32.22,960 200.109,961 92.287,962 176.801,965 200.109,966 57.263,967 104.223,968 34.612,969 72.99,970 200.109,971 92.287,972 176.801,973 0.58,974 0.345,975 0.2,976 0.111,977 22,978 10,979 0.082,980 4,981 2,982 1.211,983 3.926,984 249.112,985 0.211,986 19,987 132.606,989 1,993 18.404,994 7.576,995 3.596,996 2.386,997 91.001,998 17.453,999 4.639,1003 4.191,1005 18.011,1006 469.197,1007 44.5,1013 12.434,1017 -0.074,1020 45.996,1021 51.029,1022 0.287,1023 0.665,1024 0.792,1025 0.912,1026 0.955,1027 0.955,1028 5.058,1029 1.519,1030 5.878,1031 4.89,1032 4.489,1033 5.162,1034 3.604,1035 6.725,1036 4.408,1037 6.304,1038 1.353,1039 7.454,1040 4.367,1041 4.111,1042 5.085,1043 1.593,1044 7.698,1045 4.002,1046 7.636,1047 1.187,1048 9.132,1049 2.989,1050 6.107,1051 7.498,1052 5.694,1053 10.852,1054 5.941,1055 9.006,1056 1,1057 10.872,1058 2.6,1059 6.553,1060 8.288,1061 3.522,1062 12.709,1063 6.337,1064 10.408,1065 0.645,1066 12.654,1067 2.262,1068 8.032,1069 10.18,1070 7.995,1071 15.407,1072 7.769,1073 11.837,1074 0.341,1075 14.466,1076 1.542,1077 8.874,1078 11.399,1079 5.91,1080 17.644,1081 8.547,1082 13.289,1083 -0.134,1084 16.302,1085 0.809,1086 10.156,1087 13.09,1088 10.369,1089 20.2,1090 9.78,1091 3.361,1092 -0.235,1093 18.157,1094 -0.251,1095 11.189,1096 14.515,1097 8.482,1098 22.595,1099 10.743,1100 2.717,1101 12.208,1102 20.028,1103 -0.534,1104 12.402,1105 16.132,1106 12.77,1107 25.108,1108 11.902,1109 2.706,1110 9.128,1111 21.912,1112 4.932,1113 13.526,1114 17.65,1115 11.074,1116 27.566,1117 12.953,1118 2.407,1119 7.722,1120 23.807,1121 3.867,1122 14.721,1123 19.245,1124 15.179,1125 30.068,1126 14.088,1127 2.226,1128 7.582,1129 25.712,1130 3.661,1131 15.887,1132 20.805,1133 13.65,1134 32.551,1135 15.183,1136 1.925,1137 6.065,1138 27.624,1139 3.214,1140 17.081,1141 22.395,1142 17.591,1143 35.051,1144 16.315,1145 1.81,1146 5.898,1147 29.542,1148 2.851,1149 18.267,1150 23.973,1151 16.206,1152 37.544,1153 17.432,1154 9274,1155 15447,1156 20.69,1157 33.455,1158 47.823,1159 52.885,1160 48.768,1161 46.292,1162 46.394,1163 64.912,1164 14.556,1165 136.124,1166 44.517,1167 5.732,1168 6.486,1169 6.744,1170 5.445,1171 5.361,1172 7.932,1173 6.685,1174 19.78,1175 5.166,1176 13.682,1177 1.543,1178 1.706,1179 1.573,1180 1.493,1181 1.497,1182 2.094,1183 0.47,1184 4.391,1185 1.436,1186 4.213,1187 4.25,1188 4.246,1189 4.102,1190 7.429,1191 4.116,1192 3.931,1193 3.964,1194 3.883,1195 3.859,1196 6.82,1197 3.856,1198 3.743,1199 3.771,1200 3.794,1201 3.697,1202 5.08,1203 3.683,1204 3.534,1205 3.563,1206 3.614,1207 3.417,1208 4.756,1209 3.38,1210 3.261,1211 3.332,1212 3.262,1213 3.096,1214 4.506,1215 3.102,1216 3.201,1217 3.263,1218 3.133,1219 3.068,1220 4.164,1221 3.066,1222 3.147,1223 3.216,1224 3.015,1225 2.988,1226 4.004,1227 2.98,1228 2.973,1229 3.043,1230 2.924,1231 2.809,1232 3.896,1233 2.805,1234 0.156,1235 0.145,1236 0.228,1237 0.139,1238 0.108,1239 4.833,1240 0.159,1241 4.486,1242 0.108,1243 7.063,1244 0.394,1245 4.301,1246 0.102,1247 3.361,1248 4.932,1249 3.359,1250 12.208,1251 3.166,1252 1.982,1253 1.955,1254 2.042,1255 2.092,1256 1.222,1257 2.082,1258 1.915,1259 1.885,1260 2.036,1261 2.012,1262 1.133,1263 2.021,1264 1.857,1265 1.831,1266 1.944,1267 1.951,1268 1.047,1269 1.953,1270 1.453,1271 1.426,1272 1.606,1273 1.662,1274 0.823,1275 1.659,1276 1.229,1277 1.153,1278 1.517,1279 1.463,1280 0.607,1281 1.486,1282 1.198,1283 1.128,1284 1.484,1285 1.4,1286 0.574,1287 1.447,1288 1.11,1289 1.064,1290 1.198,1291 1.289,1292 0.245,1293 1.268,1294 0.94,1295 0.88,1296 1.151,1297 1.146,1298 0.218,1299 1.146,1300 4.143,1302 5.476,1303 2.398,1304 7.009,1305 4.844,1306 8.642,1307 7.081,1308 10.33,1310 3.888,1315 0.265,1317 2.932,1319 1.436,1324 9.563,1325 2.257,1326 31.675,1327 72.918,1328 169.025,1329 201.29,1330 231.819,1331 242.574,1332 242.574,1333 44.667,1334 7.736,1335 70.19,1336 95.49,1337 23,1338 12.743,1339 4.585,1340 3.858,1341 42.421,1342 106,1343 110,1344 0.192,1345 199.404,1346 335.74,1347 478.306,1348 24893,1350 19.673,1351 0.703,1352 0.585,1353 20.027,1354 16.378,1355 13.563,1356 0.438,1357 0.318,1358 8.879,1359 12.795,1360 8.477,1361 7.078,1362 14.017,1363 9.854,1364 12.286,1365 0.279,1366 0.173,1367 12.837,1368 7.614,1369 10.314,1370 0.172,1371 0.092,1372 11.048,1373 5.507,1374 9.225,1375 0.11,1376 0.049,1377 9.995,1378 4.144,1379 7.34,1380 0.068,1381 0.027,1382 8.176,1383 2.945,1384 0.3,1385 88.166,1386 0.22,1387 26.601,1388 0.53,1389 150,1390 417.864,1391 182.991,1392 438.658,1393 604.86,1394 410,1395 179,1396 437.398,1397 210.391,1398 461.23,1399 675.51,1400 433,1401 5.163}
{0 CHEMBL1453723,1 1.79,2 8.421,3 2.42,4 5.856,5 79.9,6 8.922,7 0.55,8 3.591,9 3.682,10 3.419,11 3.244,12 4.748,13 3.159,14 4.063,15 4.209,16 3.737,17 3.55,18 5.195,19 3.45,20 4.092,21 4.217,22 3.676,23 3.562,24 5.287,25 3.472,26 4.208,27 4.348,28 3.704,29 3.544,30 5.504,31 3.442,32 4.201,33 4.404,34 3.533,35 3.46,36 5.338,37 3.348,38 4.135,39 4.326,40 3.532,41 3.394,42 5.262,43 3.251,44 3.91,45 4.091,46 3.233,47 3.264,48 5,49 3.105,50 3.879,51 4.115,52 3.115,53 3.135,54 4.824,55 2.907,56 0.037,57 0.473,58 5.948,59 3.334,60 4.605,61 3.645,62 0.239,63 0.764,64 17.438,65 6.096,66 17.332,67 6.295,68 0.153,69 0.763,70 13.796,71 5.682,72 16.517,73 5.73,74 0.373,75 0.814,76 18.384,77 6.776,78 34.27,79 6.918,80 0.233,81 0.784,82 15.672,83 6.136,84 27.713,85 6.859,86 0.378,87 0.76,88 21.521,89 6.676,90 35.314,91 6.452,92 0.154,93 0.607,94 14.019,95 5.328,96 22.176,97 5.616,98 0.234,99 0.602,100 18.894,101 5.557,102 26.181,103 5.548,104 21,105 27,106 0.335,107 0.71,108 0.837,109 0.864,110 0.864,111 0.864,112 3.01,113 1.155,114 -3.73,115 -3.7,116 -3.52,120 39.4,121 1,125 2,143 3,144 1,145 2,147 1,152 1,159 1,163 1,174 2,177 5,180 2,182 2,185 5,189 2,194 1,197 3,200 2,201 6,204 1,206 3,209 2,214 1,222 1,226 1,227 5,232 1,235 3,247 1,252 2,260 3,274 437,275 12.757,276 12.757,277 12.757,278 12.757,279 12.757,280 11.295,281 16.587,282 7.459,283 13.516,284 9.726,285 9.726,286 9.726,287 9.726,288 9.726,289 7.386,290 21.359,291 3.373,292 10.696,293 3.255,294 1.251,295 0.576,296 0.432,297 0.432,298 0.432,299 3.662,305 1,306 1,307 1,308 328,309 2.915,312 56.471,313 66.386,320 1.285,321 16.824,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 41,333 160,334 4.383,335 4.33,336 6.468,337 4.005,338 3.029,339 4.018,340 2.95,341 10.019,342 2.958,343 4.085,344 3.609,345 5.598,346 3.578,347 2.692,348 3.708,349 1.058,350 7.701,351 2.387,352 3.703,353 2.876,354 5.334,355 3.29,356 2.355,357 3.054,358 0.86,359 6.815,360 2.188,361 3.272,362 2.751,363 4.921,364 2.891,365 1.973,366 2.461,368 5.503,369 1.786,370 3.024,371 2.438,372 4.574,373 2.602,374 1.683,375 2.175,377 4.634,378 1.523,379 2.665,380 2.04,381 3.864,382 2.155,383 1.177,384 1.679,386 2.942,387 1.133,388 2.205,389 1.66,390 3.271,391 1.52,392 0.726,393 1.063,395 1.719,396 0.565,397 1.69,398 0.939,399 2.959,400 1.351,401 0.478,402 0.552,404 0.802,405 0.407,406 1.592,407 0.815,408 2.776,409 1.27,410 0.463,411 0.512,413 0.673,414 0.368,415 1.022,416 0.711,417 2.516,418 0.652,419 -0.289,420 -0.341,422 -0.665,423 -0.264,424 0.833,425 0.359,426 2.177,427 0.427,428 -0.534,429 -0.695,431 -1.105,432 -0.5,433 0.578,434 -0.21,435 1.781,436 0.123,437 -0.833,438 -1.036,440 -2.006,441 -0.755,442 0.414,443 -0.418,444 1.602,445 0.095,446 -0.844,447 -1.084,449 -2.113,450 -0.768,451 0.021,452 -0.801,453 1.488,454 -0.401,455 -1.363,456 -1.684,458 -3.607,459 -1.202,460 -0.255,461 -1.088,462 1.263,463 -0.607,464 -1.471,465 -1.839,467 -3.976,468 -1.342,469 9.633,470 0.507,471 0.451,472 0.024,473 24.75,474 1.303,475 13,476 0.684,477 11.75,478 0.618,479 14.438,480 0.76,481 20.367,482 0.617,483 15.3,484 0.805,485 4.64,486 0.244,487 4.494,488 0.237,489 0.19,491 0.311,496 0.788,497 1.117,498 0.723,499 0.853,500 0.63,501 0.87,502 0.92,503 0.997,504 1.034,505 1.015,506 0.623,507 0.776,508 1.287,509 1.157,510 1.055,511 1.05,512 1.19,513 1.028,514 0.927,515 1.232,516 1.063,517 1.245,518 1.14,519 1.183,520 1.303,521 0.899,522 0.689,523 0.708,524 1.389,525 0.866,526 1.421,527 0.935,528 1.17,529 1.07,530 1.606,531 0.94,532 1.115,533 1.106,534 1.12,535 1.094,536 1.338,537 1.128,538 1.16,539 0.817,540 1.047,541 0.899,542 1.244,543 1.009,544 4.5,545 0.037,546 2,547 1.632,548 0.973,549 0.747,550 0.218,551 0.241,552 0.127,553 0.06,554 2999,555 9840,556 1.965,557 42.4,559 9,560 1,562 1,563 3,567 1.604,568 1.81,569 3.072,570 -0.198,572 1,574 1,575 59.056,576 1.79,577 3.793,578 4.468,579 4.612,580 4.612,581 4.612,582 2.524,583 3.932,584 4.218,585 3.17,586 541.997,587 7.19,588 5327.93,589 1,590 1,592 1,593 166.465,594 1.509,595 4.159,596 0.225,597 0.012,598 0.074,599 0.063,600 0.041,601 0.036,602 0.012,603 0.016,604 0.013,605 0.01,606 0.501,607 0.5,608 1,609 1.039,610 82.383,611 -0.055,612 -0.068,613 0.062,614 0.044,615 -0.082,616 0.017,617 0.08,618 0.052,619 0.034,620 0.044,621 0.096,622 0.178,623 -0.215,624 -0.11,625 -0.176,626 -0.128,627 -0.128,628 -0.149,629 0.29,630 -0.244,631 -0.122,632 -0.293,633 0.185,634 -0.274,635 -0.15,636 0.026,637 0.078,638 0.097,639 -0.07,640 0.051,641 -0.096,642 0.061,643 -0.05,644 -0.014,645 -0.161,646 0.023,647 -0.157,648 -0.144,649 -0.155,650 -0.119,651 -0.153,652 -0.163,653 -0.205,654 0.161,655 0.004,656 0.106,657 -0.22,658 -0.012,659 1.876,660 5.171,661 0.579,662 13.263,663 1.009,664 1.114,665 2.504,666 6.272,667 0.721,668 3.045,669 3.332,670 3.555,671 3.761,672 3.829,673 3.807,674 3.784,675 3.638,676 3.638,677 3.497,678 4.957,679 0.667,680 294.43,681 3.045,682 4.554,683 5.38,684 6.24,685 7.084,686 7.948,687 8.798,688 9.662,689 10.514,690 11.379,691 6.1,698 1,701 1,709 4,710 1,713 1,714 5,716 11,723 1,735 1,738 33,739 12,740 1,741 20,743 34,744 13,745 9,746 3,747 3,748 1,752 2,753 2,759 1,768 10,769 3,772 1,778 1,782 1,785 1,786 1,789 14,790 4,791 1,792 6,793 2,797 2,803 1,804 2,822 1,823 1,855 2,856 1,857 2,859 3,862 19,871 1,872 1,873 1,879 1,886 6.1,889 1,891 1,893 10.5,894 6.95,895 4.389,896 1.683,898 1.956,899 1.322,900 0.951,901 4.827,902 8.031,903 3.314,904 3.887,905 4.42,906 4.941,907 5.234,908 5.355,909 5.526,910 5.483,911 5.794,912 5.975,913 0.833,914 26,915 6.992,917 2.828,918 7.798,919 13.197,921 10.134,924 2.298,925 43.667,926 0.001,929 153.024,930 144.416,931 34.796,933 36.145,935 63.497,936 80.918,937 189.169,938 34.796,939 26.899,940 18.011,941 36.078,942 46.635,943 24.237,944 11.771,945 204.75,947 153.024,948 115.715,949 36.145,950 63.497,952 153.024,953 36.145,956 30.093,957 68.836,958 16.786,959 63.497,960 153.024,961 70.941,962 144.416,965 153.024,966 81.439,967 62.976,968 18.011,969 52.93,970 153.024,971 70.941,972 144.416,973 0.57,974 0.34,975 0.182,976 0.091,977 12,978 6,979 0.118,980 4,982 1,983 3.088,984 131.539,986 11,987 80.711,989 2,993 14.346,994 6.393,995 3.482,997 70.941,998 7.409,999 4.207,1002 1.406,1003 3.618,1005 18.011,1006 368.381,1007 26.5,1013 12.171,1017 -0.209,1020 33.313,1021 36.747,1022 0.355,1023 0.752,1024 0.886,1025 0.914,1026 0.914,1027 0.914,1028 4.519,1029 0.478,1030 5.361,1031 1.719,1032 4.007,1033 4.57,1034 3.097,1035 6.138,1036 3.85,1037 5.724,1038 0.463,1039 6.905,1040 0.802,1041 3.611,1042 4.388,1044 6.986,1045 3.443,1046 7.026,1047 -0.289,1048 8.543,1049 0.673,1050 5.572,1051 6.738,1052 5.05,1053 10.031,1054 5.306,1055 8.364,1056 -0.534,1057 10.234,1058 -0.665,1059 5.969,1060 7.35,1062 11.684,1063 5.688,1064 9.73,1065 -0.833,1066 11.961,1067 -1.105,1068 7.402,1069 9.167,1070 7.187,1071 14.251,1072 7.064,1073 11.115,1074 -0.844,1075 13.712,1076 -2.006,1077 8.161,1078 10.146,1080 16.257,1081 7.809,1082 12.515,1083 -1.363,1084 15.482,1085 -2.113,1086 9.384,1087 11.735,1088 9.348,1089 18.657,1090 8.999,1091 3.029,1092 -1.471,1093 17.267,1094 -3.607,1095 10.316,1096 12.899,1098 20.824,1099 9.918,1100 2.692,1101 10.019,1102 19.064,1103 -3.976,1104 11.454,1105 14.38,1106 11.511,1107 23.162,1108 11.035,1109 2.355,1110 7.701,1111 20.872,1112 4.018,1113 12.469,1114 15.641,1116 25.402,1117 12.037,1118 1.973,1119 6.815,1120 22.689,1121 3.708,1122 13.575,1123 17.069,1124 13.675,1125 27.717,1126 13.128,1127 1.683,1128 5.503,1129 24.513,1130 3.054,1131 14.629,1132 18.381,1134 29.99,1135 14.17,1136 1.177,1137 4.634,1138 26.344,1139 2.461,1140 15.725,1141 19.783,1142 15.838,1143 32.297,1144 15.253,1145 0.726,1146 2.942,1147 28.18,1148 2.175,1149 16.8,1150 21.124,1152 34.586,1153 16.315,1154 3097,1155 5723,1156 12.83,1157 23.784,1158 29.386,1159 32.836,1160 30.931,1161 28.947,1162 29.152,1163 38.44,1164 9.737,1165 81.617,1166 26.632,1167 5.226,1168 6.33,1169 6.026,1170 5.106,1171 5.029,1172 7.018,1173 5.9,1174 16.8,1175 4.958,1176 10.494,1177 1.469,1178 1.642,1179 1.547,1180 1.447,1181 1.458,1182 1.922,1183 0.487,1184 4.081,1185 1.332,1186 3.956,1187 3.971,1188 4.219,1189 3.903,1190 7.429,1191 3.883,1192 3.817,1193 3.84,1194 4.014,1195 3.804,1196 4.858,1197 3.733,1198 3.354,1199 3.389,1200 3.589,1201 3.272,1202 4.804,1203 3.207,1204 3.262,1205 3.324,1206 3.164,1207 2.994,1208 4.368,1209 2.993,1210 3.124,1211 3.212,1212 3.014,1213 2.942,1214 3.922,1215 2.91,1216 2.953,1217 3.019,1218 2.975,1219 2.818,1220 3.831,1221 2.754,1222 2.775,1223 2.849,1224 2.58,1225 2.637,1226 3.532,1227 2.611,1228 2.543,1229 2.621,1230 2.44,1231 2.364,1232 3.477,1233 2.351,1234 0.219,1235 0.216,1236 0.323,1237 0.2,1238 0.151,1239 4.383,1240 0.201,1241 4.33,1242 0.148,1243 6.468,1244 0.501,1245 4.005,1246 0.148,1247 3.029,1248 4.018,1249 2.95,1250 10.019,1251 2.958,1252 1.896,1253 1.885,1254 1.956,1255 1.983,1256 1.103,1257 1.982,1258 1.53,1259 1.483,1260 1.744,1261 1.71,1262 0.831,1263 1.722,1264 1.384,1265 1.365,1266 1.572,1267 1.562,1268 0.662,1269 1.57,1270 1.233,1271 1.185,1272 1.52,1273 1.512,1274 0.57,1275 1.543,1276 1.165,1277 1.094,1278 1.351,1279 1.38,1280 0.482,1281 1.447,1282 0.941,1283 0.912,1284 1.097,1285 1.057,1286 0.222,1287 1.123,1288 0.803,1289 0.734,1290 1.077,1291 0.993,1292 0.156,1293 1.034,1294 0.704,1295 0.604,1296 0.882,1297 0.976,1298 0.012,1299 0.979,1300 3.714,1302 5.004,1303 2.398,1304 6.482,1305 4.595,1306 8.045,1307 6.529,1308 9.656,1310 5.427,1317 2.773,1318 5.261,1319 1.604,1326 22.007,1327 59.056,1328 125.181,1329 147.445,1330 152.2,1331 152.2,1332 152.2,1333 30.005,1334 6.075,1335 51.22,1336 104.76,1337 11,1338 11.929,1339 3.7,1340 2.907,1341 33.62,1342 55,1343 55,1344 0.304,1345 146.963,1346 247.7,1347 350.349,1348 2715,1350 13.828,1351 0.728,1352 0.659,1353 14.535,1354 12.523,1355 9.135,1356 0.457,1357 0.385,1358 5.69,1359 7.818,1360 5.219,1361 4.413,1362 10.146,1363 7.697,1364 7.917,1365 0.293,1366 0.206,1367 8.987,1368 5.552,1369 6.491,1370 0.191,1371 0.12,1372 7.666,1373 4.094,1374 5.214,1375 0.124,1376 0.064,1377 6.276,1378 2.674,1379 3.676,1380 0.082,1381 0.036,1382 4.479,1383 1.627,1384 0.466,1385 67.435,1386 0.279,1387 18.972,1388 0.861,1389 94,1390 315.17,1391 145.593,1392 341.615,1393 456.49,1394 320,1395 108,1396 296.367,1397 148.827,1398 328.206,1399 472.63,1400 303,1401 6.073}
{0 CHEMBL1453996,1 1.291,2 10.652,3 4.083,4 16.668,5 95.222,6 6.896,7 0.654,8 3.872,9 4.002,10 3.404,11 3.466,12 4.86,13 3.421,14 4.421,15 4.616,16 3.741,17 3.862,18 5.329,19 3.799,20 4.676,21 4.901,22 3.777,23 4.028,24 5.534,25 3.919,26 4.731,27 4.99,28 3.574,29 3.984,30 5.518,31 3.822,32 4.65,33 4.941,34 3.405,35 3.84,36 5.374,37 3.665,38 4.385,39 4.653,40 3.271,41 3.642,42 5.142,43 3.484,44 4.186,45 4.428,46 3.174,47 3.494,48 5.002,49 3.358,50 4.145,51 4.397,52 3.045,53 3.396,54 4.949,55 3.25,56 0.044,57 0.639,58 9.663,59 4.006,60 7.184,61 5.658,62 0.149,63 1.09,64 17.953,65 6.334,66 14.14,67 9.246,68 0.204,69 1.346,70 23.638,71 8.853,72 20.678,73 12.832,74 0.158,75 1.338,76 25.434,77 10.165,78 23.517,79 14.711,80 0.153,81 1.193,82 23.997,83 9.546,84 22.173,85 13.896,86 0.125,87 0.933,88 18.016,89 7.428,90 15.894,91 10.694,92 0.085,93 0.786,94 14.471,95 5.798,96 12.776,97 8.374,98 0.097,99 0.755,100 14.058,101 5.336,102 13.759,103 7.789,104 2,105 36,106 0.223,107 0.501,108 0.652,109 0.798,110 0.814,111 0.814,112 3.188,113 0.945,114 -4.34,115 -4.28,116 -4.03,120 45.5,125 1,126 4,143 10,144 2,145 1,147 2,174 10,177 6,185 11,188 1,189 7,197 10,201 4,209 9,214 2,222 9,226 1,227 3,235 9,240 2,247 6,252 2,260 2,263 1,264 3,274 677,275 15.947,276 15.947,277 15.947,278 15.947,279 15.947,280 14.044,281 12.107,282 9.432,283 16.228,284 12.846,285 12.846,286 12.846,287 12.846,288 12.846,289 10.023,290 18.536,291 4.494,292 13.301,293 4.169,294 2.557,295 1.681,296 0.835,297 0.744,298 0.744,299 3.894,305 1,306 1,307 1,308 548,309 1.871,313 260.39,317 101.485,320 1.784,321 8.224,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47.5,333 245,334 4.449,335 3.144,336 6.294,337 3.986,338 3.009,339 4.362,340 0.8,341 9.581,342 2.941,343 4.173,344 2.98,345 6.146,346 3.814,347 2.862,348 3.787,349 0.8,350 9.066,351 2.74,352 3.896,353 2.681,354 5.969,355 3.59,356 2.612,357 3.255,359 8.468,360 2.537,361 3.393,362 2.568,363 5.047,364 3.223,365 2.294,366 2.496,368 6.104,369 2.13,370 3.118,371 1.818,372 4.555,373 2.675,374 1.712,375 2.427,377 4.71,378 1.648,379 3.093,380 1.618,381 4.4,382 2.602,383 1.618,384 2.289,386 4.326,387 1.588,388 2.847,389 1.471,390 4.163,391 2.407,392 1.426,393 1.99,395 3.599,396 1.397,397 2.539,398 1.249,399 3.607,400 2.18,401 1.202,402 1.547,404 2.928,405 1.173,406 2.5,407 1.146,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.153,416 1,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 0.664,426 3.165,427 1.644,428 0.661,429 0.984,431 1.546,432 0.649,433 1.189,434 0.081,435 2.725,436 0.904,437 -0.062,438 -0.069,440 -0.14,441 -0.059,442 0.924,443 -0.291,444 2.402,445 0.602,446 -0.368,447 -0.465,449 -0.878,450 -0.356,451 0.882,452 -0.6,453 2.169,454 0.367,455 -0.618,456 -0.927,458 -1.583,459 -0.608,460 0.623,461 -0.613,462 2,463 0.263,464 -0.708,465 -0.952,467 -1.682,468 -0.685,469 11.2,470 0.487,471 0.465,472 0.02,473 31.5,474 1.37,475 16.5,476 0.717,477 15,478 0.652,479 16.014,480 0.696,481 23.6,482 0.536,483 20.313,484 0.883,485 6.257,486 0.272,487 5.036,488 0.219,489 0.045,491 0.295,496 0.932,497 1.348,498 0.839,499 1.066,500 0.869,501 0.967,502 1.693,503 1.04,504 0.988,505 0.852,506 0.901,507 0.863,508 1.332,509 0.986,510 1.082,511 0.978,512 0.935,513 1.005,514 0.923,515 1.032,516 1.062,517 1.079,518 1.106,519 1.081,520 0.777,521 0.821,522 0.877,523 0.872,524 0.969,525 0.88,526 0.569,527 0.899,528 0.892,529 0.969,530 0.699,531 0.958,532 0.899,533 1.09,534 1.007,535 1.072,536 1,537 1.052,538 1.169,539 1.123,540 1.106,541 1.1,542 1.546,543 1.098,544 4,545 0.062,546 2.889,547 0.813,548 0.92,549 0.694,550 0.423,551 0.13,552 0.143,553 0.132,554 6464,555 12814,556 2.196,557 47.7,559 21,567 1.651,568 2.123,569 3.386,570 -0.858,572 1,575 56.783,576 1.291,577 2.903,578 3.778,579 4.624,580 4.715,581 4.715,582 2.947,583 4.056,584 4.494,585 3.513,586 888.764,587 7.705,588 10139.9,590 1,592 1,593 240.215,594 1.121,595 4.483,596 0.154,597 0.005,598 0.08,599 0.023,600 0.033,601 0.029,602 0.02,603 0.007,604 0.009,605 0.009,606 0.369,607 0.67,608 1,609 0.393,610 108.553,611 0.099,612 -0.228,613 0.086,614 -0.07,615 0.038,616 -0.007,617 -0.201,618 0.091,619 -0.007,620 0.085,621 0.045,622 0.06,623 -0.108,624 0.069,625 -0.106,626 -0.02,627 0.076,628 -0.055,629 -0.067,630 -0.077,631 -0.094,632 -0.091,633 -0.042,634 -0.094,635 0.016,636 0.092,637 0.107,638 0.12,639 0.01,640 0.12,641 0.172,642 0.029,643 0.077,644 0.032,645 0.146,646 0.044,647 -0.015,648 -0.115,649 -0.042,650 -0.084,651 -0.056,652 -0.069,653 -0.1,654 -0.132,655 -0.126,656 -0.135,657 -0.341,658 -0.133,659 0.631,660 1.777,661 0.957,662 20.106,663 0.983,664 1.119,665 3.111,666 9.676,667 0.679,668 3.296,669 3.611,670 3.892,671 4.127,672 4.407,673 4.443,674 4.575,675 4.654,676 4.804,677 4.875,678 6.116,679 0.632,680 303.44,681 3.296,682 4.828,683 5.68,684 6.547,685 7.412,686 8.282,687 9.151,688 10.023,689 10.894,690 11.766,691 6.8,694 1,697 1,701 1,708 2,709 10,710 1,714 3,716 17,732 1,738 44,739 17,740 2,741 26,743 47,744 20,745 15,746 4,747 8,752 4,753 5,768 15,769 5,786 1,789 21,790 3,792 3,797 3,803 0.75,816 1,823 4,827 1,851 1,855 3,859 1,862 23,869 4,875 2,893 10.833,894 8.183,895 5,896 2.708,898 3.424,899 1.465,900 1.029,901 3.821,902 10.784,903 3.57,904 4.174,905 4.792,906 5.386,907 6.011,908 6.322,909 6.805,910 7.231,911 7.69,912 7.934,913 1,914 36,915 8.497,917 3.573,918 7.384,919 16.909,921 14.167,924 1.884,925 43.333,926 0.001,928 1,929 247.193,930 124.998,931 23.034,936 124.998,937 247.193,938 23.034,939 8.396,940 8.423,941 94.762,942 16.786,943 19.665,945 247.193,947 247.193,948 148.032,952 247.193,956 16.448,957 114.798,958 16.786,960 247.193,961 23.034,962 124.998,965 247.193,966 21.839,967 109.407,969 16.786,970 247.193,971 23.034,972 124.998,973 0.581,974 0.339,975 0.179,976 0.102,977 19,978 7,979 0.043,980 2,981 1,982 1.091,983 3.68,984 185.741,985 0.091,986 22,987 96.042,993 14.376,994 6.113,995 2.983,996 2.235,997 23.034,998 21.313,999 4.777,1003 3.518,1006 395.225,1007 34.5,1020 43.258,1021 49.232,1022 0.236,1023 0.532,1024 0.692,1025 0.847,1026 0.864,1027 0.864,1028 4.79,1029 1.202,1030 5.645,1031 3.599,1032 4.29,1033 4.86,1034 1.072,1035 6.425,1036 4.224,1037 5.977,1038 1,1039 7.182,1040 2.928,1041 3.761,1042 4.543,1043 0.57,1044 7.248,1045 3.636,1046 7.268,1047 1,1048 8.816,1049 2.275,1050 5.855,1051 7.066,1052 0.653,1053 10.316,1054 5.722,1055 8.595,1056 0.661,1057 10.508,1058 2.275,1059 6.155,1060 7.617,1061 0.479,1062 11.965,1063 5.968,1064 9.956,1065 -0.062,1066 12.238,1067 1.546,1068 7.687,1069 9.58,1070 0.432,1071 14.514,1072 7.49,1073 11.339,1074 -0.368,1075 13.993,1076 -0.14,1077 8.379,1078 10.566,1079 0.346,1080 16.494,1081 8.138,1082 12.742,1083 -0.618,1084 15.765,1085 -0.878,1086 9.661,1087 12.267,1088 0.291,1089 18.851,1090 9.405,1091 3.009,1092 -0.708,1093 17.55,1094 -1.583,1095 10.547,1096 13.48,1097 0.237,1098 20.971,1099 10.255,1100 2.862,1101 9.581,1102 19.343,1103 -1.682,1104 11.715,1105 15.054,1106 0.195,1107 23.253,1108 11.404,1109 2.612,1110 9.066,1111 21.143,1112 4.362,1113 12.697,1114 16.387,1115 0.158,1116 25.434,1117 12.355,1118 2.294,1119 8.468,1120 22.948,1121 3.787,1122 13.813,1123 17.9,1124 0.129,1125 27.686,1126 13.45,1127 1.712,1128 6.104,1129 24.757,1130 3.255,1131 14.844,1132 19.295,1133 0.104,1134 29.895,1135 14.453,1136 1.618,1137 4.71,1138 26.569,1139 2.496,1140 15.939,1141 20.78,1142 0.084,1143 32.137,1144 15.524,1145 1.426,1146 4.326,1147 28.383,1148 2.427,1149 16.994,1150 22.209,1151 0.068,1152 34.36,1153 16.554,1154 5984,1155 8539,1156 18.087,1157 29.87,1158 39.129,1159 38.646,1160 39.424,1161 38.856,1162 38.795,1163 51.274,1164 3.2,1165 109.755,1166 37.535,1167 5.449,1168 5.144,1169 5.981,1170 5.053,1171 5.009,1172 7.362,1173 1.2,1174 16.022,1175 4.941,1176 6.362,1177 1.505,1178 1.486,1179 1.516,1180 1.494,1181 1.492,1182 1.972,1183 0.123,1184 4.221,1185 1.444,1186 4.092,1187 4.121,1188 4.051,1189 4.026,1190 5.008,1191 4.028,1192 3.92,1193 3.969,1194 3.852,1195 3.831,1196 4.712,1197 3.831,1198 3.735,1199 3.793,1200 3.624,1201 3.57,1202 4.386,1203 3.575,1204 3.413,1205 3.461,1206 3.321,1207 3.32,1208 4.283,1209 3.313,1210 3.175,1211 3.275,1212 3.007,1213 2.955,1214 3.958,1215 2.955,1216 3.111,1217 3.206,1218 2.875,1219 2.941,1220 3.832,1221 2.91,1222 2.989,1223 3.05,1224 2.866,1225 2.848,1226 3.674,1227 2.843,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.474,1233 2.715,1234 0.171,1235 0.121,1236 0.242,1237 0.153,1238 0.116,1239 4.449,1240 0.168,1241 3.144,1242 0.031,1243 6.294,1244 0.369,1245 3.986,1246 0.113,1247 3.009,1248 4.362,1249 0.8,1250 9.581,1251 2.941,1252 2.055,1253 2.031,1254 2.134,1255 2.137,1256 1.308,1257 2.138,1258 1.899,1259 1.865,1260 2.03,1261 2.04,1262 1.223,1263 2.042,1264 1.71,1265 1.643,1266 1.904,1267 1.874,1268 1.05,1269 1.888,1270 1.415,1271 1.373,1272 1.593,1273 1.547,1274 0.825,1275 1.565,1276 1.165,1277 1.065,1278 1.526,1279 1.432,1280 0.67,1281 1.468,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.609,1287 1.429,1288 0.983,1289 0.926,1290 1.199,1291 1.151,1292 0.293,1293 1.17,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.22,1299 1.107,1300 3.97,1302 5.283,1304 6.808,1306 8.419,1308 10.071,1310 2.186,1315 4.468,1321 4.835,1326 27.805,1327 56.783,1328 127.723,1329 166.241,1330 203.46,1331 207.46,1332 207.46,1333 23.35,1334 7.361,1335 19.37,1336 19.37,1337 24,1338 12.308,1339 4.17,1340 3.248,1341 32.101,1342 85,1343 84,1344 0.187,1345 170.007,1346 284.3,1347 406.578,1348 15710,1350 15.648,1351 0.68,1352 0.585,1353 15.648,1354 13.444,1355 11.293,1356 0.434,1357 0.315,1358 8.113,1359 11.017,1360 7.885,1361 6.537,1362 11.293,1363 8.192,1364 10.073,1365 0.28,1366 0.173,1367 10.073,1368 6.226,1369 8.791,1370 0.183,1371 0.096,1372 8.791,1373 4.63,1374 7.183,1375 0.118,1376 0.051,1377 7.183,1378 3.134,1379 6.171,1380 0.076,1381 0.028,1382 6.171,1383 2.289,1384 0.296,1385 69.437,1386 0.235,1387 22.824,1388 0.502,1389 124,1390 272.935,1391 130.217,1392 275.595,1393 394.47,1394 262,1395 146,1396 302.394,1397 153.383,1398 312.349,1399 456.64,1400 295,1401 6.796}
{0 CHEMBL1454237,1 1.578,2 12.344,3 2.739,4 7.504,5 119.183,6 7.492,7 0.5,8 4.141,9 4.259,10 3.698,11 3.651,12 5.296,13 3.641,14 4.652,15 4.823,16 4.007,17 3.991,18 5.79,19 3.954,20 4.9,21 5.11,22 4.013,23 4.076,24 6.002,25 4.02,26 4.902,27 5.099,28 4.047,29 4.095,30 6.083,31 4.046,32 5,33 5.213,34 4.153,35 4.167,36 6.33,37 4.106,38 5.054,39 5.266,40 4.075,41 4.171,42 6.236,43 4.101,44 5.056,45 5.287,46 3.994,47 4.113,48 6.223,49 4.035,50 4.971,51 5.211,52 4.036,53 4.066,54 6.195,55 3.998,56 0.055,57 0.836,58 11.459,59 5.076,60 9.962,61 6.595,62 0.324,63 1.29,64 21.392,65 8.152,66 32.412,67 11.095,68 0.618,69 1.504,70 30.466,71 9.756,72 74.438,73 13.336,74 0.491,75 1.523,76 29.683,77 9.759,78 71.13,79 13.2,80 0.808,81 1.616,82 33.628,83 11.531,84 123.255,85 15.947,86 0.593,87 1.644,88 36.018,89 12.192,90 99.572,91 16.3,92 0.72,93 1.626,94 37.291,95 11.672,96 119.582,97 15.921,98 0.757,99 1.514,100 34.23,101 11.054,102 113.784,103 15.588,104 18,105 44,106 0.256,107 0.579,108 0.76,109 0.885,110 0.91,111 0.91,112 3.502,113 0.922,114 -3.14,115 -3.14,116 -3.01,120 41.4,121 1,122 3,126 2,143 9,144 1,145 1,146 1,148 1,152 1,153 1,159 3,174 10,176 1,177 9,180 3,182 2,185 7,188 1,189 7,192 2,194 3,197 5,200 1,201 6,206 2,209 6,213 4,214 9,217 3,219 3,222 8,226 1,227 9,232 4,235 7,239 2,240 7,245 4,247 3,251 2,252 9,255 2,256 1,257 3,260 3,264 11,269 2,271 9,274 2248,275 21.767,276 21.767,277 21.767,278 21.767,279 21.767,280 19.228,281 23.699,282 13.327,283 21.96,284 16.742,285 16.742,286 16.742,287 16.742,288 16.742,289 12.887,290 28.742,291 6.285,292 17.024,293 4.28,294 2.292,295 1.178,296 0.405,297 0.254,298 0.254,299 4.183,306 1,307 1,308 831,309 4.583,312 114.312,313 263.316,320 1.824,321 40.16,324 1,325 0.83,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.85,332 70,333 395,334 4.358,335 3.812,336 6.663,337 4.063,338 3.099,339 3.893,340 1.99,341 10.706,342 2.985,343 3.965,344 3.593,345 5.684,346 3.597,347 2.63,348 3.482,349 1.908,350 7.504,351 2.559,352 3.932,353 3.527,354 5.482,355 3.566,356 2.574,357 3.476,358 1.907,359 7.359,360 2.542,361 3.787,362 2.997,363 5.371,364 3.453,365 2.458,366 3.049,367 0.627,368 7.034,369 2.431,370 3.578,371 2.738,372 4.979,373 3.235,374 2.223,375 2.78,376 0.519,377 5.891,378 2.233,379 3.479,380 2.537,381 4.816,382 3.089,383 2.08,384 2.674,385 0.149,386 5.465,387 2.082,388 2.917,389 2.138,390 4.467,391 2.566,392 1.568,393 2.089,395 4.174,396 1.559,397 2.904,398 1.571,399 3.77,400 2.466,401 1.471,402 2.028,404 3.125,405 1.462,406 2.851,407 1.541,408 3.592,409 2.384,410 1.394,411 1.974,413 3.004,414 1.375,415 2.66,416 1.519,417 3.561,418 2.277,419 1.283,420 1.711,422 2.787,423 1.273,424 2.5,425 1.304,426 3.447,427 1.958,428 1,429 1.5,431 2.221,432 0.956,433 2.152,434 1.174,435 3.247,436 1.86,437 0.881,438 1.059,440 2.136,441 0.859,442 2.118,443 1,444 3,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 1.712,452 0.91,453 2.99,454 1.484,455 0.491,456 0.559,458 1.074,459 0.485,460 1.684,461 0.618,462 2.841,463 1.455,464 0.462,465 0.53,467 0.819,468 0.455,469 14.933,470 0.467,471 0.609,472 0.019,473 42,474 1.313,475 21.5,476 0.672,477 20.5,478 0.641,479 26.185,480 0.818,481 34.867,482 0.601,483 34.486,484 1.078,485 8.61,486 0.269,487 6.953,488 0.217,489 0.1,491 0.261,496 0.727,497 1.395,498 0.781,499 1.153,500 0.543,501 0.998,502 0.694,503 1.233,504 0.887,505 1.138,506 0.586,507 1.061,508 1.223,509 0.976,510 1.071,511 0.908,512 1.224,513 0.95,514 1.257,515 1.145,516 1.12,517 1.073,518 1.322,519 1.063,520 0.736,521 0.954,522 0.887,523 1.015,524 0.864,525 0.981,526 1.286,527 1.089,528 1.082,529 1.092,530 1.55,531 1.064,532 1.36,533 0.976,534 1.109,535 0.965,536 1.63,537 0.99,538 0.86,539 0.864,540 0.812,541 0.857,542 0.931,543 0.829,544 5.5,545 0.167,546 2.889,547 1.785,548 1.738,549 0.92,550 0.598,551 0.555,552 0.349,553 0.255,554 14151,555 40413,556 2.03,557 44.8,558 5,559 13,560 1,561 1,562 2,563 4,567 1.75,568 1.92,569 3.558,570 0.208,572 1,575 91.512,576 1.578,577 3.566,578 4.68,579 5.453,580 5.604,581 5.604,582 3.042,583 4.563,584 4.968,585 3.768,586 1868.81,587 8.722,588 28364.4,590 1,593 339.763,594 1.299,595 4.94,596 0.162,597 0.005,598 0.066,599 0.042,600 0.04,601 0.019,602 0.014,603 0.014,604 0.008,605 0.006,606 0.374,607 0.33,608 1,609 0.688,610 169.334,611 -0.046,612 -0.186,613 0.037,614 -0.075,615 -0.027,616 -0.014,617 0.121,618 -0.108,619 0.01,620 -0.124,621 0.038,622 -0.091,623 -0.116,624 0.055,625 -0.083,626 0.048,627 -0.154,628 -0.004,629 -0.162,630 -0.094,631 -0.15,632 -0.107,633 -0.111,634 -0.12,635 0.29,636 0.044,637 0.094,638 -0.034,639 0.308,640 -0.006,641 -0.123,642 -0.137,643 -0.08,644 -0.108,645 -0.136,646 -0.091,647 -0.151,648 -0.033,649 -0.078,650 -0.014,651 -0.161,652 -0.032,653 0.19,654 0.081,655 0.206,656 0.106,657 0.184,658 0.153,659 1.987,660 6.069,661 0.531,662 36.281,663 1.008,664 1.128,665 1.911,666 3.653,667 0.659,668 3.555,669 3.807,670 4.007,671 4.205,672 4.317,673 4.22,674 4.248,675 4.304,676 4.29,677 4.344,678 7.48,679 0.633,680 434.54,681 3.555,682 5.056,683 5.866,684 6.706,685 7.534,686 8.378,687 9.214,688 10.06,689 10.901,690 11.749,691 6.9,698 3,701 1,709 11,710 1,712 1,714 4,716 17,738 58,739 20,740 1,741 34,743 60,744 24,745 15,746 2,747 4,752 3,753 3,759 1,766 3,768 18,769 6,772 3,778 3,782 3,786 1,788 1,789 26,790 8,791 2,792 8,797 4,803 1,804 4,816 1,822 1,823 2,838 2,839 1,855 3,859 1,862 32,869 5,871 2,875 1,886 6.9,889 3,891 1,893 16.667,894 10.483,895 7.333,896 3.511,898 1.94,899 1.278,900 0.956,901 8.729,902 8.913,903 3.839,904 4.334,905 4.77,906 5.231,907 5.562,908 5.435,909 5.6,910 5.789,911 5.742,912 5.911,913 1,914 43,915 11.899,917 4.962,918 7.927,919 22.208,921 17.382,924 2.427,925 77.667,928 1,929 282.506,930 154.546,931 55.931,933 84.942,936 154.546,937 367.449,938 55.931,939 8.825,940 50.961,941 97.026,942 118.105,943 24.497,944 19.548,945 258.964,947 282.506,948 210.478,949 84.942,952 282.506,953 84.942,956 68.833,957 124.859,958 16.786,960 282.506,961 140.873,962 154.546,965 282.506,966 39.648,967 118.023,968 36.022,969 101.728,970 282.506,971 140.873,972 154.546,973 0.561,974 0.322,975 0.175,976 0.092,977 17,978 8,979 0.167,980 10,982 1,983 4.354,984 270.93,986 17,987 160,993 23.392,994 11.941,995 7.142,997 140.873,998 19.238,999 4.044,1001 5.226,1003 2.655,1005 36.022,1006 577.926,1007 45.5,1013 37.884,1017 -0.947,1020 58.436,1021 65.398,1022 0.269,1023 0.609,1024 0.799,1025 0.931,1026 0.957,1027 0.957,1028 5.032,1029 1.471,1030 5.808,1031 4.174,1032 4.489,1033 5.021,1034 3.038,1035 6.535,1036 4.455,1037 6.193,1038 1.394,1039 7.313,1040 3.125,1041 3.892,1042 4.575,1043 2.575,1044 7.298,1045 3.852,1046 7.457,1047 1.283,1048 8.919,1049 3.004,1050 5.994,1051 7.053,1052 4.04,1053 10.383,1054 5.91,1055 8.753,1056 1,1057 10.59,1058 2.787,1059 6.256,1060 7.423,1061 4.164,1062 12.055,1063 6.151,1064 10.08,1065 0.881,1066 12.305,1067 2.221,1068 7.77,1069 9.339,1070 5.224,1071 14.653,1072 7.626,1073 11.427,1074 0.618,1075 14.052,1076 2.136,1077 8.444,1078 10.104,1079 5.604,1080 16.72,1081 8.267,1082 12.79,1083 0.491,1084 15.825,1085 1.372,1086 9.712,1087 11.766,1088 6.478,1089 19.163,1090 9.497,1091 3.099,1092 0.462,1093 17.617,1094 1.074,1095 10.599,1096 12.751,1097 6.989,1098 21.404,1099 10.342,1100 2.63,1101 10.706,1102 19.426,1103 0.819,1104 11.762,1105 14.277,1106 7.767,1107 23.797,1108 11.468,1109 2.574,1110 7.504,1111 21.249,1112 3.893,1113 12.759,1114 15.393,1115 8.348,1116 26.113,1117 12.419,1118 2.458,1119 7.359,1120 23.083,1121 3.482,1122 13.883,1123 16.844,1124 9.075,1125 28.49,1126 13.504,1127 2.223,1128 7.034,1129 24.927,1130 3.476,1131 14.936,1132 18.042,1133 9.694,1134 30.837,1135 14.513,1136 2.08,1137 5.891,1138 26.779,1139 3.049,1140 16.049,1141 19.448,1142 10.394,1143 33.21,1144 15.584,1145 1.568,1146 5.465,1147 28.639,1148 2.78,1149 17.134,1150 20.698,1151 11.035,1152 35.57,1153 16.625,1154 13750,1155 23406,1156 22.652,1157 38.216,1158 49.526,1159 50.857,1160 50.325,1161 48.953,1162 48.958,1163 64.066,1164 14.201,1165 130.349,1166 48.243,1167 5.321,1168 5.812,1169 6.465,1170 5.109,1171 5.099,1172 6.893,1173 3.471,1174 17.771,1175 4.985,1176 14.627,1177 1.457,1178 1.496,1179 1.48,1180 1.44,1181 1.44,1182 1.884,1183 0.418,1184 3.834,1185 1.419,1186 3.988,1187 4.022,1188 3.928,1189 3.893,1190 7.435,1191 3.894,1192 3.898,1193 3.921,1194 3.838,1195 3.754,1196 7.427,1197 3.768,1198 3.873,1199 3.912,1200 3.815,1201 3.734,1202 7.422,1203 3.749,1204 3.69,1205 3.729,1206 3.604,1207 3.527,1208 5.075,1209 3.538,1210 3.557,1211 3.6,1212 3.475,1213 3.332,1214 4.903,1215 3.36,1216 3.387,1217 3.469,1218 3.246,1219 3.241,1220 4.733,1221 3.216,1222 3.303,1223 3.345,1224 3.179,1225 3.036,1226 4.063,1227 3.078,1228 3.055,1229 3.139,1230 2.887,1231 2.852,1232 4.019,1233 2.85,1234 0.128,1235 0.112,1236 0.196,1237 0.119,1238 0.091,1239 4.358,1240 0.115,1241 3.812,1242 0.059,1243 6.663,1244 0.315,1245 4.063,1246 0.088,1247 3.099,1248 3.893,1249 1.99,1250 10.706,1251 2.985,1252 1.938,1253 1.908,1254 2.058,1255 2.048,1256 1.237,1257 2.05,1258 1.826,1259 1.784,1260 1.947,1261 1.982,1262 1.117,1263 1.973,1264 1.658,1265 1.616,1266 1.846,1267 1.862,1268 0.961,1269 1.854,1270 1.601,1271 1.559,1272 1.781,1273 1.803,1274 0.93,1275 1.799,1276 1.442,1277 1.398,1278 1.735,1279 1.632,1280 0.86,1281 1.667,1282 1.419,1283 1.345,1284 1.626,1285 1.594,1286 0.766,1287 1.611,1288 1.324,1289 1.297,1290 1.521,1291 1.584,1292 0.583,1293 1.561,1294 1.111,1295 1.08,1296 1.288,1297 1.412,1298 0.325,1299 1.368,1300 4.234,1302 5.501,1303 2.398,1304 6.948,1305 4.443,1306 8.477,1307 6.26,1308 10.054,1310 1.985,1315 0.721,1317 5.426,1321 1.435,1326 36.74,1327 91.512,1328 206.809,1329 271.459,1330 316.253,1331 325.008,1332 325.008,1333 82.362,1334 6.974,1335 104.54,1336 104.54,1337 17,1338 12.31,1339 4.392,1340 3.644,1341 60.839,1342 133,1343 158,1344 0.202,1345 229.767,1346 404.1,1347 552.392,1348 9365,1350 22.761,1351 0.711,1352 0.56,1353 22.761,1354 17.914,1355 15.563,1356 0.458,1357 0.307,1358 10.297,1359 14.926,1360 10.078,1361 8.382,1362 15.563,1363 10.447,1364 13.249,1365 0.301,1366 0.161,1367 13.249,1368 7.081,1369 10.565,1370 0.196,1371 0.089,1372 10.565,1373 4.804,1374 8.409,1375 0.127,1376 0.048,1377 8.409,1378 3.177,1379 6.421,1380 0.087,1381 0.027,1382 6.421,1383 1.99,1384 0.319,1385 97.872,1386 0.21,1387 30.231,1388 0.551,1389 156,1390 516.898,1391 174.484,1392 491,1393 653.4,1394 458,1395 176,1396 464.202,1397 193.269,1398 463.373,1399 665.75,1400 437,1401 4.446}
{0 CHEMBL1454706,1 1.967,2 8.826,3 2.704,4 7.311,5 88.149,6 10.277,7 0.615,8 3.713,9 3.762,10 3.759,11 3.331,12 4.853,13 3.316,14 4.236,15 4.317,16 4.017,17 3.701,18 5.675,19 3.684,20 4.412,21 4.535,22 4.071,23 3.776,24 5.674,25 3.729,26 4.382,27 4.5,28 4.118,29 3.753,30 5.795,31 3.667,32 4.326,33 4.466,34 3.884,35 3.529,36 5.777,37 3.494,38 4.072,39 4.229,40 3.544,41 3.35,42 5.392,43 3.293,44 3.95,45 4.095,46 3.549,47 3.329,48 5.263,49 3.268,50 3.942,51 4.086,52 3.371,53 3.226,54 5.157,55 3.158,56 0.163,57 0.555,58 5.716,59 3.306,60 18.727,61 2.565,62 0.514,63 0.844,64 9.039,65 5.669,66 53.084,67 4.677,68 0.658,69 0.992,70 14.981,71 7.276,72 46.264,73 5.949,74 0.603,75 1.028,76 20.031,77 8.061,78 48.207,79 5.947,80 0.667,81 0.907,82 20.277,83 7.228,84 69.837,85 5.555,86 0.558,87 0.676,88 12.472,89 5.224,90 56.424,91 4.773,92 0.422,93 0.628,94 11.213,95 4.813,96 36.892,97 4.647,98 0.405,99 0.607,100 13.725,101 5.13,102 42.805,103 4.219,104 5,105 38,106 0.354,107 0.646,108 0.738,109 0.842,110 0.852,111 0.863,112 3.189,113 1.037,114 -1.85,115 -1.91,116 -1.92,120 41.2,126 2,143 6,145 4,147 2,174 3,176 2,177 3,180 2,182 2,185 2,188 1,189 8,194 2,197 1,200 2,201 9,204 2,206 1,213 2,214 4,217 2,219 1,222 2,226 2,227 2,235 3,239 2,240 4,247 3,251 1,252 3,260 1,263 2,264 2,274 664,275 15.61,276 15.61,277 15.61,278 15.61,279 15.61,280 13.466,281 14.032,282 9.107,283 16.105,284 12.869,285 12.869,286 12.869,287 12.869,288 12.869,289 9.526,290 15.104,291 4.315,292 13.697,293 3.121,294 1.501,295 0.986,296 0.412,297 0.353,298 0.294,299 3.887,305 1,306 1,307 1,308 454,309 3.162,312 45.116,313 168.795,316 85.17,317 95.213,320 1.327,321 34.633,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 51.5,333 203,334 4.923,335 4.707,336 7.433,337 4.388,338 3.465,339 4.846,340 0.86,341 13.061,342 3.175,343 4.329,344 3.253,345 6.256,346 3.871,347 2.923,348 4.171,349 0.86,350 9.362,351 2.776,352 4.244,353 2.838,354 6.172,355 3.74,356 2.779,357 3.897,359 9.134,360 2.651,361 3.516,362 2.46,363 5.298,364 3.128,365 2.182,366 2.834,368 6.597,369 2.053,370 3.161,371 2.176,372 4.838,373 2.615,374 1.634,375 2.457,377 5.004,378 1.602,379 3.047,380 1.823,381 4.412,382 2.53,383 1.618,384 2.32,386 4.356,387 1.515,388 2.923,389 1.631,390 4.097,391 2.528,392 1.547,393 2.061,395 3.588,396 1.469,397 2.5,398 1.547,399 3.62,400 2.316,401 1.397,402 1.5,404 3.002,405 1.27,406 2.476,407 1.014,408 3.444,409 2,410 1,411 1.475,413 2.231,414 1,415 1.972,416 1,417 3.359,418 1.605,419 0.705,420 0.836,422 1.635,423 0.628,424 1.919,425 0.75,426 3.167,427 1.428,428 0.48,429 0.701,431 1.238,432 0.452,433 1.213,434 0.253,435 2.983,436 0.896,437 -0.042,438 -0.051,440 -0.117,441 -0.039,442 1,443 -0.001,444 2.582,445 0.379,446 -0.578,447 -0.729,449 -1.49,450 -0.54,451 0.89,452 -0.226,453 2.328,454 0.313,455 -0.618,456 -0.778,458 -1.592,459 -0.564,460 0.687,461 -0.457,462 2.248,463 0.207,464 -0.732,465 -0.915,467 -1.99,468 -0.677,469 11.2,470 0.487,471 0.625,472 0.027,473 33.75,474 1.467,475 18.5,476 0.804,477 15.25,478 0.663,479 15.159,480 0.659,481 24.2,482 0.712,483 23.353,484 1.015,485 6.41,486 0.279,487 4.723,488 0.205,489 0.06,490 0.074,491 0.268,496 0.654,497 1.34,498 0.709,499 1.213,500 0.691,501 0.839,502 0.945,503 0.992,504 0.769,505 0.83,506 0.617,507 0.843,508 1.192,509 1.007,510 0.887,511 0.843,512 1.003,513 0.873,514 1.109,515 1.079,516 1.171,517 1.116,518 1.241,519 1.075,520 1.21,521 1.015,522 1.152,523 1.177,524 1.765,525 1.064,526 0.909,527 0.836,528 0.827,529 0.791,530 1.172,531 0.938,532 0.629,533 0.915,534 0.874,535 0.892,536 0.591,537 0.892,538 1.221,539 0.988,540 1.288,541 1.116,542 1.247,543 1.088,544 5,545 0.027,546 3.111,547 1.875,548 1.457,549 0.74,550 0.411,551 0.259,552 0.168,553 0.077,554 5807,555 20167,556 2.157,557 32.4,559 10,562 1,567 1.658,568 2.044,569 3.134,570 -0.155,572 1,574 1,575 66.862,576 1.967,577 3.587,578 4.102,579 4.676,580 4.735,581 4.793,582 2.525,583 4.35,584 4.5,585 3.274,586 828.288,587 7.748,588 9165.6,589 1,590 1,591 1,592 1,593 172.974,594 1.445,595 4.459,596 0.192,597 0.003,598 0.082,599 0.051,600 0.043,601 0.026,602 0.019,603 0.011,604 0.009,605 0.005,606 0.441,607 0.5,608 1,609 0.503,610 106.198,611 0.037,612 -0.279,613 0.189,614 -0.21,615 -0.165,616 -0.012,617 0.029,618 -0.012,619 -0.018,620 0.029,621 0.209,622 -0.018,623 -0.161,624 -0.055,625 0.019,626 0.093,627 -0.092,628 0.062,629 -0.098,630 -0.033,631 -0.055,632 -0.03,634 -0.134,635 -0.065,636 -0.036,637 -0.086,638 -0.159,639 -0.133,640 -0.088,641 0.085,642 0.072,643 0.032,644 0.081,645 -0.037,646 0.057,647 0.221,648 0.043,649 0.05,650 0.046,651 0.182,652 0.104,653 -0.201,654 -0.038,655 -0.249,656 -0.1,657 -0.206,658 -0.081,659 4.695,660 5.635,661 0.826,662 15.516,663 1.038,664 1.113,665 0.622,666 0.387,667 0.74,668 3.296,669 3.664,670 3.951,671 4.248,672 4.431,673 4.443,674 4.575,675 4.644,676 4.644,677 4.644,678 5.367,679 0.718,680 349.42,681 3.296,682 4.86,683 5.727,684 6.632,685 7.514,686 8.42,687 9.308,688 10.214,689 11.104,690 12.011,691 8.8,696 1,701 2,708 2,709 6,710 2,713 1,714 4,716 16,735 2,738 34,739 18,740 2,741 26,743 37,744 14,745 12,746 6,747 6,752 4,753 6,768 12,769 2,772 2,776 1,778 2,785 1,786 1,789 11,790 7,791 1,792 9,793 2,797 3,803 0.5,804 4,822 1,823 3,826 1,827 1,855 2,857 2,862 23,866 1,869 2,871 1,872 2,886 11.8,889 2,891 2,893 11.25,894 6.15,895 4.875,896 1.889,898 3.108,899 1.428,900 1.041,901 3.677,902 10.379,903 3.611,904 4.301,905 4.886,906 5.521,907 6.008,908 6.269,909 6.663,910 6.943,911 6.991,912 7.301,913 0.833,914 37,915 8.761,917 4.126,918 7.989,919 15.918,921 13.45,924 2.489,925 57.25,929 117.711,930 121.759,931 46.357,933 66.313,935 36.634,936 85.125,937 184.024,938 46.357,940 9.185,941 62.665,942 90.67,943 41.082,945 148.537,947 117.711,948 131.482,949 66.313,950 36.634,952 117.711,953 66.313,956 13.473,957 71.652,958 52.164,959 30.826,960 117.711,961 112.67,962 121.759,964 5.807,965 117.711,966 59.094,967 56.857,968 16.405,969 96.265,970 117.711,971 112.67,972 121.759,973 0.592,974 0.35,975 0.196,976 0.101,977 21,978 8,979 0.081,980 3,981 2,982 1.211,983 3.53,984 193.885,985 0.211,986 19,987 102.042,989 1,992 1,993 14.815,994 5.709,995 2.78,996 0.919,997 112.67,998 9.779,999 8.123,1002 0.979,1003 1.614,1005 16.405,1006 352.139,1007 36,1011 -3.779,1013 25.271,1020 35.302,1021 37.833,1022 0.387,1023 0.705,1024 0.806,1025 0.919,1026 0.931,1027 0.942,1028 4.86,1029 1.397,1030 5.753,1031 3.588,1032 4.344,1033 4.987,1034 1.376,1035 6.637,1036 4.225,1037 6.118,1038 1,1039 7.359,1040 3.002,1041 4.111,1042 5.121,1044 7.888,1045 3.904,1046 7.488,1047 0.705,1048 9.085,1049 2.231,1050 6.052,1051 7.387,1052 1.159,1053 10.962,1054 5.797,1055 8.905,1056 0.48,1057 10.884,1058 1.635,1059 6.661,1060 8.354,1062 13.047,1063 6.297,1064 10.36,1065 -0.042,1066 12.733,1067 1.238,1068 8.112,1069 10.142,1070 0.963,1071 15.732,1072 7.7,1073 11.841,1074 -0.578,1075 14.616,1076 -0.117,1077 9.077,1078 11.446,1080 18.117,1081 8.553,1082 13.343,1083 -0.618,1084 16.524,1085 -1.49,1086 10.361,1087 13.074,1088 0.787,1089 20.706,1090 9.776,1091 3.465,1092 -0.732,1093 18.45,1094 -1.592,1095 11.475,1096 14.52,1098 23.201,1099 10.782,1100 2.923,1101 13.061,1102 20.39,1103 -1.99,1104 12.707,1105 16.094,1106 0.634,1107 25.768,1108 11.94,1109 2.779,1110 9.362,1111 22.342,1112 4.846,1113 13.883,1114 17.601,1116 28.306,1117 13.014,1118 2.182,1119 9.134,1120 24.302,1121 4.171,1122 15.103,1123 19.161,1124 0.504,1125 30.871,1126 14.151,1127 1.634,1128 6.597,1129 26.271,1130 3.897,1131 16.307,1132 20.696,1134 33.426,1135 15.256,1136 1.618,1137 5.004,1138 28.245,1139 2.834,1140 17.529,1141 22.255,1142 0.395,1143 35.992,1144 16.389,1145 1.547,1146 4.356,1147 30.225,1148 2.457,1149 18.748,1150 23.806,1152 38.556,1153 17.512,1154 5399,1155 10256,1156 17.682,1157 25.176,1158 39.559,1159 40.656,1160 40.002,1161 39.484,1162 39.459,1163 54.195,1164 3.44,1165 118.417,1166 37.181,1167 5.868,1168 6.707,1169 7.12,1170 5.528,1171 5.465,1172 7.846,1173 1.72,1174 21.037,1175 5.175,1176 7.734,1177 1.522,1178 1.564,1179 1.539,1180 1.519,1181 1.518,1182 2.084,1183 0.132,1184 4.554,1185 1.43,1186 4.146,1187 4.136,1188 4.747,1189 4.122,1190 7.717,1191 4.054,1192 3.935,1193 3.95,1194 4.195,1195 3.836,1196 6.999,1197 3.841,1198 3.703,1199 3.671,1200 3.874,1201 3.629,1202 5.041,1203 3.529,1204 3.422,1205 3.459,1206 3.455,1207 3.239,1208 4.948,1209 3.237,1210 3.219,1211 3.258,1212 3.301,1213 3.159,1214 4.369,1215 3.09,1216 2.912,1217 2.952,1218 2.808,1219 2.746,1220 4.281,1221 2.747,1222 2.763,1223 2.818,1224 2.656,1225 2.627,1226 4.213,1227 2.628,1228 2.639,1229 2.674,1230 2.585,1231 2.492,1232 3.801,1233 2.481,1234 0.189,1235 0.181,1236 0.286,1237 0.169,1238 0.133,1239 4.923,1240 0.186,1241 4.707,1242 0.033,1243 7.433,1244 0.502,1245 4.388,1246 0.122,1247 3.465,1248 4.846,1249 0.86,1250 13.061,1251 3.175,1252 1.984,1253 1.992,1254 1.989,1255 2.066,1256 1.199,1257 2.086,1258 1.871,1259 1.856,1260 1.956,1261 1.984,1262 1.094,1263 1.98,1264 1.481,1265 1.494,1266 1.682,1267 1.693,1268 0.92,1269 1.707,1270 1.361,1271 1.332,1272 1.209,1273 1.519,1274 0.573,1275 1.562,1276 0.976,1277 0.966,1278 1.113,1279 1.136,1280 0.19,1281 1.165,1282 0.912,1283 0.863,1284 1.071,1285 1.079,1286 0.151,1287 1.088,1288 0.863,1289 0.822,1290 0.951,1291 1.074,1292 0.064,1293 1.08,1294 0.682,1295 0.655,1296 0.904,1297 0.869,1298 0.055,1299 0.878,1300 3.97,1302 5.323,1303 2.398,1304 6.878,1305 4.595,1306 8.526,1307 6.605,1308 10.221,1315 0.921,1317 2.54,1318 10.883,1326 24.405,1327 66.862,1328 121.954,1329 139.464,1330 158.974,1331 160.974,1332 162.974,1333 38.898,1334 7.27,1335 90.41,1336 127.03,1337 23,1338 12.531,1339 4.248,1340 3.459,1341 31.854,1342 74,1343 69,1344 0.212,1345 153.628,1346 255.32,1347 366.611,1348 14024,1350 15.864,1351 0.69,1352 0.581,1353 16.467,1354 13.355,1355 11.133,1356 0.428,1357 0.346,1358 6.826,1359 9.368,1360 6.554,1361 5.363,1362 12.454,1363 8.985,1364 10.569,1365 0.278,1366 0.185,1367 12.316,1368 7.031,1369 8.792,1370 0.172,1371 0.104,1372 10.436,1373 5.288,1374 7.789,1375 0.113,1376 0.06,1377 9.702,1378 4.132,1379 6.096,1380 0.073,1381 0.035,1382 7.802,1383 2.867,1384 0.326,1385 84.115,1386 0.238,1387 22.292,1388 0.6,1389 128,1390 462.286,1391 200.433,1392 476.326,1393 646.48,1394 440,1395 153,1396 436.316,1397 235.77,1398 490.432,1399 714.93,1400 459,1401 5.364}
{0 CHEMBL1454951,1 1.921,2 10.524,3 4.342,4 18.853,5 88.225,6 10.359,7 0.273,8 3.597,9 3.657,10 3.535,11 3.313,12 4.808,13 3.234,14 4.08,15 4.181,16 3.993,17 3.662,18 5.384,19 3.539,20 4.185,21 4.315,22 3.904,23 3.62,24 5.432,25 3.508,26 4.054,27 4.188,28 3.705,29 3.531,30 5.278,31 3.389,32 4.041,33 4.173,34 3.758,35 3.486,36 5.363,37 3.355,38 3.962,39 4.089,40 3.591,41 3.366,42 5.296,43 3.255,44 3.759,45 3.856,46 3.636,47 3.234,48 5.341,49 3.105,50 3.631,51 3.733,52 3.313,53 3.072,54 5.002,55 2.955,56 0.084,57 0.409,58 3.114,59 3.047,60 8.175,61 3.135,62 0.34,63 0.71,64 15.009,65 6.333,66 30.959,67 5.693,68 0.419,69 0.721,70 18.505,71 7.081,72 39.255,73 6.149,74 0.3,75 0.675,76 15.114,77 6.078,78 36.19,79 5.52,80 0.344,81 0.694,82 18.19,83 6.852,84 38.164,85 5.915,86 0.309,87 0.626,88 17.169,89 6.037,90 39.971,91 4.843,92 0.383,93 0.514,94 15.015,95 4.795,96 55.144,97 3.589,98 0.268,99 0.43,100 12.025,101 4.141,102 30.445,103 3.259,104 22,105 29,106 0.359,107 0.708,108 0.824,109 0.847,110 0.847,111 0.847,112 3.102,113 1.136,114 -4.31,115 -4.25,116 -4.01,120 42.4,121 1,126 2,136 1,139 1,143 4,144 1,145 1,159 2,160 1,174 5,176 2,177 3,185 10,189 5,197 7,201 4,209 4,213 2,214 6,222 5,227 4,235 2,239 2,240 3,247 4,252 4,264 5,271 2,274 607,275 13.955,276 13.955,277 13.955,278 13.955,279 13.955,280 12.518,281 10.872,282 8.466,283 14.708,284 10.826,285 10.826,286 10.826,287 10.826,288 10.826,289 8.514,290 7.17,291 4.002,292 12.032,293 3.124,294 1.25,295 0.629,296 0.508,297 0.508,298 0.508,299 3.76,303 1,306 1,307 1,308 451,309 3.24,312 64.839,313 75.23,320 1.832,321 26.014,323 1,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 45.833,333 221,334 4.328,335 5.082,336 6.172,337 3.885,338 2.964,339 3.808,340 5.549,341 9.203,342 2.754,343 3.991,344 4.129,345 5.414,346 3.531,347 2.585,348 3.524,349 2.75,350 7.176,351 2.44,352 3.675,353 3.671,354 5.152,355 3.324,356 2.38,357 2.882,358 1.777,359 6.306,360 2.22,361 3.516,362 3.24,363 4.952,364 3.001,365 2.117,366 2.772,367 1.102,368 5.838,369 1.795,370 3.272,371 2.942,372 4.854,373 2.781,374 1.905,375 2.429,376 0.369,377 5.468,378 1.586,379 2.767,380 2.867,381 4.124,382 2.186,383 1.265,384 1.694,386 3.509,387 1.124,388 2.5,389 2.312,390 3.414,391 2,392 1.1,393 1.5,395 2.275,396 1,397 2.158,398 1.813,399 3.271,400 2,401 1,402 1.132,404 1.984,405 0.974,406 1.749,407 1.54,408 2.92,409 1.317,410 0.48,411 0.542,413 0.954,414 0.384,415 1.444,416 1,417 2.7,418 1.024,419 0.139,420 0.169,422 0.336,423 0.11,424 1.063,425 0.999,426 2,427 0.48,428 -0.432,429 -0.577,431 -0.858,432 -0.328,433 0.699,434 0.644,435 2,436 0.399,437 -0.551,438 -0.624,440 -1.066,441 -0.504,442 0.613,443 0.392,444 2,445 0.193,446 -0.754,447 -0.971,449 -1.866,450 -0.683,451 0.5,452 0.094,453 1.657,455 -1,456 -1.208,458 -2.628,459 -0.822,460 0.219,461 -0.32,462 1.531,463 -0.069,464 -1,465 -1.5,467 -3,468 -1,469 10.781,470 0.513,471 0.506,472 0.024,473 24.75,474 1.179,475 12,476 0.571,477 12.75,478 0.607,479 17.595,480 0.838,481 22.219,482 0.673,483 15.475,484 0.737,485 4.595,486 0.219,487 5.485,488 0.261,489 0.174,491 0.278,496 0.646,497 1.024,498 0.626,499 0.793,500 0.557,501 0.801,502 0.68,503 1.046,504 0.785,505 0.914,506 0.539,507 0.851,508 1.203,509 0.906,510 0.995,511 0.955,512 1.065,513 0.884,514 1.019,515 1.028,516 1.13,517 1.076,518 1.149,519 1.068,520 0.832,521 1.116,522 1.083,523 1.252,524 1.071,525 0.972,526 1.368,527 1.137,528 1.279,529 1.193,530 1.518,531 0.961,532 1.02,533 1.107,534 1.183,535 1.126,536 1.05,537 0.971,538 1.028,539 1.18,540 1.501,541 1.463,542 0.948,543 1.282,544 5,545 0.045,546 2,547 1.292,548 0.947,549 0.469,550 0.486,551 0.224,552 0.194,553 0.086,554 4393,555 17746,556 1.968,557 36.4,559 9,564 3,567 1.627,568 1.826,569 3.368,570 -0.657,572 1,575 63.388,576 1.921,577 3.794,578 4.415,579 4.537,580 4.537,581 4.537,582 2.892,583 4.202,584 4.358,585 3.506,586 736.197,587 7.448,588 8125.89,590 1,592 1,593 166.465,594 1.461,595 4.311,596 0.227,597 0.005,598 0.069,599 0.05,600 0.043,601 0.02,602 0.023,603 0.012,604 0.014,605 0.008,606 0.472,607 0.17,608 1,609 1.711,610 97.014,611 -0.035,612 -0.057,613 0.028,614 0.031,615 -0.048,616 0.009,617 0.159,618 -0.023,619 0.134,620 0.098,621 0.119,622 0.065,623 -0.149,624 0.047,625 0.012,626 0.045,627 -0.124,628 0.084,629 -0.165,630 -0.005,631 -0.143,632 -0.07,633 -0.167,634 -0.115,635 0.091,636 -0.045,637 -0.035,638 -0.097,639 0.016,640 0.025,641 -0.271,642 -0.064,643 -0.213,644 -0.082,645 -0.206,646 -0.006,647 0.147,648 0.036,649 -0.059,650 0.014,651 0.266,652 -0.072,653 -0.013,654 -0.122,655 -0.358,656 -0.4,657 0.016,658 -0.367,659 1.978,660 4.794,661 0.524,662 19.415,663 1.026,664 1.103,665 3.082,666 9.501,667 0.76,668 3.135,669 3.401,670 3.555,671 3.738,672 3.871,673 3.807,674 3.912,675 3.989,676 3.912,677 3.85,678 6.065,679 0.713,680 341.86,681 3.135,682 4.635,683 5.434,684 6.275,685 7.098,686 7.943,687 8.779,688 9.628,689 10.471,690 11.322,691 3,700 1,709 4,714 2,716 6,737 1,738 33,739 10,740 1,741 22,743 34,744 14,745 6,746 2,747 4,748 4,752 2,753 2,754 1,759 1,768 11,769 3,772 4,778 2,780 1,781 1,782 4,786 1,789 12,790 4,792 7,793 3,797 1,803 1,804 3,822 1,823 1,841 1,845 2,855 2,856 2,857 2,859 1,860 1,862 21,869 2,872 1,873 2,885 1,886 9.1,889 2,891 1,893 11.5,894 6.343,895 4.778,896 1.962,898 2.122,899 1.336,900 0.939,901 6.061,902 8.438,903 3.401,904 3.902,905 4.334,906 4.778,907 5.231,908 5.352,909 5.69,910 6.036,911 6.236,912 6.373,913 1,914 26,915 7.738,917 3.186,918 8.037,919 14.361,921 11.128,924 2.537,925 53.278,929 141.253,930 146.27,931 16.786,932 39.149,933 61.29,935 64.439,936 81.831,937 241.692,938 16.786,939 8.825,940 5.492,941 47.381,942 63.737,943 34.472,945 205.692,946 39.149,947 141.253,948 98.617,949 61.29,950 103.588,952 105.94,953 96.603,956 31.103,957 56.487,958 50.176,959 64.439,960 141.253,961 78.075,962 185.419,965 141.253,966 90.064,967 56.206,969 117.224,970 141.253,971 78.075,972 185.419,973 0.567,974 0.31,975 0.156,976 0.084,977 12,978 6,979 0.176,980 6,982 1,983 3.398,984 144.832,986 11,987 88.239,989 2,993 16.308,994 7.805,995 5.006,997 78.075,998 7.171,1003 1.52,1006 404.748,1007 29,1013 23.061,1015 1.755,1016 3.917,1017 0.492,1020 33.862,1021 36.402,1022 0.381,1023 0.752,1024 0.875,1025 0.899,1026 0.899,1027 0.899,1028 4.61,1029 1,1030 5.398,1031 2.275,1032 4.078,1033 4.585,1034 4.389,1035 6.116,1036 3.893,1037 5.797,1038 0.48,1039 6.903,1040 1.984,1041 3.611,1042 4.331,1043 4.033,1044 6.804,1045 3.349,1046 7.083,1047 0.139,1048 8.498,1049 0.954,1050 5.587,1051 6.645,1052 7.402,1053 9.823,1054 5.256,1055 8.399,1056 -0.432,1057 10.143,1058 0.336,1059 5.889,1060 7.127,1061 7.859,1062 11.309,1063 5.482,1064 9.742,1065 -0.551,1066 11.82,1067 -0.858,1068 7.348,1069 8.954,1070 10.67,1071 13.833,1072 6.892,1073 11.103,1074 -0.754,1075 13.519,1076 -1.066,1077 8.019,1078 9.787,1079 11.507,1080 15.696,1081 7.483,1082 12.479,1083 -1,1084 15.235,1085 -1.866,1086 9.255,1087 11.393,1088 14.004,1089 18.031,1090 8.675,1091 2.964,1092 -1,1093 16.964,1094 -2.628,1095 10.118,1096 12.421,1097 15.075,1098 20.081,1099 9.452,1100 2.585,1101 9.203,1102 18.706,1103 -3,1104 11.255,1105 13.91,1106 17.365,1107 22.341,1108 10.542,1109 2.38,1110 7.176,1111 20.457,1112 3.808,1113 12.218,1114 15.052,1115 18.596,1116 24.481,1117 11.418,1118 2.117,1119 6.306,1120 22.217,1121 3.524,1122 13.313,1123 16.474,1124 20.741,1125 26.713,1126 12.459,1127 1.905,1128 5.838,1129 23.986,1130 2.882,1131 14.33,1132 17.686,1133 22.09,1134 28.894,1135 13.39,1136 1.265,1137 5.468,1138 25.761,1139 2.772,1140 15.409,1141 19.069,1142 24.128,1143 31.117,1144 14.409,1145 1.1,1146 3.509,1147 27.542,1148 2.429,1149 16.454,1150 20.323,1151 25.565,1152 33.318,1153 15.371,1154 4505,1155 9177,1156 14.216,1157 25.091,1158 32.437,1159 37.33,1160 33.218,1161 31.913,1162 31.871,1163 40.908,1164 23.093,1165 86.097,1166 28.775,1167 5.269,1168 7.082,1169 5.946,1170 5.074,1171 4.964,1172 6.808,1173 10.39,1174 15.419,1175 4.754,1176 11.667,1177 1.474,1178 1.697,1179 1.51,1180 1.451,1181 1.449,1182 1.859,1183 1.05,1184 3.913,1185 1.308,1186 3.945,1187 3.961,1188 4.179,1189 3.913,1190 7.434,1191 3.892,1192 3.716,1193 3.72,1194 3.977,1195 3.685,1196 7.43,1197 3.623,1198 3.601,1199 3.623,1200 3.675,1201 3.403,1202 4.947,1203 3.402,1204 3.328,1205 3.382,1206 3.384,1207 3.208,1208 4.549,1209 3.157,1210 3.046,1211 3.072,1212 3.258,1213 2.936,1214 4.458,1215 2.929,1216 2.854,1217 2.925,1218 2.956,1219 2.735,1220 4.326,1221 2.715,1222 2.726,1223 2.719,1224 2.859,1225 2.588,1226 3.778,1227 2.562,1228 2.482,1229 2.561,1230 2.687,1231 2.316,1232 3.674,1233 2.301,1234 0.197,1235 0.231,1236 0.281,1237 0.177,1238 0.135,1239 4.328,1240 0.173,1241 5.082,1242 0.252,1243 6.172,1244 0.418,1245 3.885,1246 0.125,1247 2.964,1248 3.808,1249 5.549,1250 9.203,1251 2.754,1252 1.91,1253 1.891,1254 1.994,1255 1.97,1256 1.105,1257 1.987,1258 1.542,1259 1.517,1260 1.811,1261 1.793,1262 0.949,1263 1.793,1264 1.427,1265 1.423,1266 1.518,1267 1.592,1268 0.818,1269 1.588,1270 1.373,1271 1.328,1272 1.469,1273 1.519,1274 0.611,1275 1.531,1276 1.077,1277 1.06,1278 1.181,1279 1.246,1280 0.218,1281 1.251,1282 0.886,1283 0.821,1284 1.05,1285 1.062,1286 0.12,1287 1.107,1288 0.753,1289 0.756,1290 0.993,1291 0.908,1292 0.077,1293 0.94,1294 0.498,1295 0.411,1296 0.774,1297 0.808,1299 0.856,1300 3.807,1302 5.081,1303 2.398,1304 6.524,1305 4.727,1306 8.041,1307 6.783,1308 9.599,1310 1.751,1311 5.814,1315 0.501,1318 4.826,1319 2.47,1326 23.528,1327 63.388,1328 125.204,1329 145.71,1330 149.71,1331 149.71,1332 149.71,1333 42.339,1334 6.315,1335 56.26,1336 109.8,1337 11,1338 11.881,1339 3.459,1340 3,1341 39.488,1342 75,1343 81,1344 0.259,1345 159.162,1346 286.26,1347 380.116,1348 3968,1349 3,1350 15.242,1351 0.726,1352 0.646,1353 16.449,1354 13.556,1355 10.08,1356 0.458,1357 0.379,1358 6.259,1359 8.607,1360 5.892,1361 4.874,1362 11.231,1363 8.328,1364 8.908,1365 0.307,1366 0.229,1367 10.634,1368 6.628,1369 6.767,1370 0.199,1371 0.139,1372 8.636,1373 4.74,1374 5.189,1375 0.127,1376 0.083,1377 6.999,1378 3.41,1379 3.965,1380 0.084,1381 0.052,1382 5.827,1383 2.448,1384 0.411,1385 74.749,1386 0.265,1387 21.296,1388 0.69,1389 102,1390 386.776,1391 182.253,1392 435.142,1393 562.7,1394 404,1395 114,1396 337.207,1397 174.099,1398 376.385,1399 549.83,1400 352,1401 5.563}
{0 CHEMBL1455108,1 1.522,2 11.886,3 5.875,4 34.519,5 138.944,6 6.77,7 0.421,8 4.342,9 4.476,10 3.824,11 3.817,12 5.382,13 3.785,14 4.924,15 5.129,16 4.195,17 4.228,18 5.892,19 4.171,20 5.182,21 5.407,22 4.265,23 4.402,24 6.088,25 4.314,26 5.338,27 5.59,28 4.384,29 4.494,30 6.274,31 4.408,32 5.408,33 5.637,34 4.464,35 4.601,36 6.372,37 4.516,38 5.57,39 5.831,40 4.475,41 4.676,42 6.466,43 4.563,44 5.601,45 5.867,46 4.441,47 4.621,48 6.574,49 4.515,50 5.485,51 5.744,52 4.262,53 4.494,54 6.48,55 4.387,56 0.107,57 1.059,58 16.606,59 6.685,60 15.195,61 9.338,62 0.415,63 1.68,64 31.272,65 10.732,66 40.679,67 16.008,68 0.497,69 2.046,70 41.072,71 13.41,72 48.167,73 20.375,74 0.7,75 2.317,76 48.835,77 14.546,78 72.894,79 22.954,80 0.692,81 2.561,82 51.841,83 15.425,84 81.698,85 24.447,86 0.687,87 2.823,88 61.626,89 18.09,90 80.566,91 29.059,92 0.969,93 2.712,94 65.033,95 17.766,96 119.148,97 28.246,98 1.142,99 2.318,100 58.771,101 16.008,102 134.332,103 24.437,104 57,105 54,106 0.239,107 0.543,108 0.764,109 0.824,110 0.837,111 0.837,112 3.589,113 0.991,114 -5.61,115 -5.48,116 -5.11,120 36.6,121 5,122 4,123 1,126 3,128 2,143 3,144 4,147 1,148 1,159 1,162 1,167 3,174 13,176 4,177 8,180 1,182 1,185 14,188 4,189 10,194 1,197 8,200 5,201 11,204 1,206 2,209 12,213 4,214 12,219 2,222 15,226 2,227 21,232 6,235 12,239 2,240 19,243 2,245 4,247 7,251 2,252 12,255 2,260 14,264 14,271 17,274 2412,275 23.3,276 23.3,277 23.3,278 23.3,279 23.3,280 21.159,281 26.954,282 13.718,283 23.774,284 18.731,285 18.731,286 18.731,287 18.731,288 18.731,289 15.445,290 35.552,291 6.424,292 19.437,293 4.628,294 2.69,295 1.279,296 0.898,297 0.814,298 0.814,299 4.276,307 1,308 882,309 4.528,312 211.62,313 203.93,317 173.038,320 1.66,321 35.308,324 0.75,325 0.5,326 0.83,327 1,328 1,329 1,330 1,331 0.87,332 76,333 416,334 4.583,335 3.717,336 6.941,337 4.202,338 3.251,339 4.532,340 2.471,341 11.706,342 3.105,343 4.41,344 3.523,345 6.547,346 4.096,347 3.116,348 3.934,349 0.995,350 10.351,351 3.043,352 4.029,353 3.225,354 6.155,355 3.729,356 2.775,357 3.519,358 0.404,359 9.035,360 2.646,361 3.851,362 2.931,363 5.9,364 3.546,365 2.578,366 2.989,367 0.359,368 8.126,369 2.492,370 3.598,371 2.764,372 5.518,373 3.369,374 2.389,375 2.87,377 6.957,378 2.332,379 3.483,380 2.352,381 5.098,382 3.127,383 2.157,384 2.776,386 5.988,387 2.078,388 3.371,389 2.301,390 5,391 3.083,392 2.089,393 2.707,395 5.817,396 2.072,397 3.33,398 2.099,399 4.985,400 2.937,401 1.962,402 2.372,404 5.765,405 1.911,406 2.769,407 1.839,408 4.457,409 2.608,410 1.643,411 1.832,413 4.226,414 1.58,415 2.605,416 1.817,417 4.223,418 2.3,419 1.348,420 1.626,422 3.583,423 1.277,424 2.579,425 1.58,426 4.147,427 2.226,428 1.284,429 1.594,431 3.407,432 1.205,433 2.486,434 1.488,435 3.491,436 2.116,437 1.136,438 1.482,440 2.486,441 1.11,442 2.11,443 1.211,444 3.334,445 1.9,446 0.942,447 1.05,449 1.961,450 0.888,451 1.872,452 0.913,453 3.261,454 1.763,455 0.788,456 0.839,458 1.586,459 0.766,460 1.628,461 0.649,462 3.034,463 1.618,464 0.618,465 0.618,467 1.372,468 0.618,469 16.4,470 0.469,471 0.98,472 0.028,473 38,474 1.086,475 16,476 0.457,477 22,478 0.629,479 42.746,480 1.221,481 40,482 0.563,483 31.159,484 0.89,485 6.914,486 0.198,487 9.864,488 0.282,489 0.193,491 0.384,496 0.714,497 1.353,498 0.869,499 1.264,500 0.705,501 1.122,502 0.683,503 1.133,504 0.812,505 1.018,506 0.456,507 0.944,508 0.91,509 1.169,510 0.995,511 1.092,512 0.808,513 1.063,514 0.883,515 0.998,516 0.907,517 0.91,518 0.86,519 0.903,520 0.993,521 1.169,522 1.098,523 1.09,524 0.946,525 1.092,526 0.928,527 1.144,528 1.028,529 1.071,530 0.867,531 1.052,532 1.286,533 0.982,534 1.07,535 0.954,536 1.319,537 0.969,538 1.712,539 0.77,540 1.194,541 0.805,542 1.84,543 0.912,544 7.5,545 0.254,546 4,547 2.778,548 2.674,549 1.622,550 1.218,551 0.793,552 0.632,553 0.413,554 15570,555 37279,556 2.024,557 50.7,558 16,559 11,562 1,564 8,567 1.776,568 1.858,569 3.446,570 -0.345,575 108.039,576 1.522,577 3.459,578 4.871,579 5.252,580 5.336,581 5.336,582 2.951,583 4.958,584 5.099,585 3.623,586 2155.85,587 9.005,588 32292.6,593 436.632,594 1.519,595 5.04,596 0.197,597 0.007,598 0.074,599 0.05,600 0.042,601 0.024,602 0.018,603 0.013,604 0.012,605 0.009,606 0.447,607 0.17,608 0.75,609 1.287,610 185.563,611 0.1,612 -0.03,613 0.068,614 -0.056,615 -0.002,616 -0.016,617 0.194,618 0.023,619 0.153,620 0.064,621 0.185,622 0.094,623 0.014,624 -0.071,625 -0.023,626 -0.047,627 -0.027,628 -0.047,629 0.057,630 0.067,631 0.08,632 0.073,633 0.05,634 0.078,635 -0.032,636 -0.041,637 -0.114,638 -0.084,639 -0.022,640 -0.104,641 -0.039,642 -0.104,643 -0.049,644 -0.094,645 -0.045,646 -0.071,647 -0.092,648 -0.001,649 -0.049,650 -0.023,651 -0.078,652 -0.026,653 -0.23,654 0.177,655 -0.142,656 0.118,657 -0.217,658 0.015,659 2.03,660 5.204,661 0.571,662 32.993,663 0.998,664 1.139,665 4.38,666 19.188,667 0.631,668 3.664,669 4.007,670 4.29,671 4.605,672 4.796,673 4.949,674 5.043,675 5.147,676 5.242,677 5.268,678 6.817,679 0.594,680 480.68,681 3.664,682 5.22,683 6.08,684 6.978,685 7.862,686 8.767,687 9.661,688 10.568,689 11.466,690 12.375,691 8.5,694 1,699 1,701 4,708 2,709 3,710 4,714 5,715 1,716 16,734 1,738 71,739 17,740 1,741 38,743 74,744 26,745 10,746 4,747 2,752 4,753 5,759 5,763 5,766 6,768 11,769 15,770 1,772 1,778 1,782 1,789 36,790 8,791 1,792 9,797 6,803 0.75,804 3,816 1,822 2,823 2,827 1,841 1,851 1,855 3,859 5,862 35,868 1,869 7,872 1,874 3,875 1,886 4.2,888 1,889 1,891 1,893 18.833,894 14.233,895 7.722,896 4.752,898 2.995,899 1.386,900 0.924,901 8.032,902 10.75,903 3.871,904 4.463,905 5.016,906 5.618,907 6.106,908 6.461,909 6.776,910 7.134,911 7.482,912 7.556,913 1,914 56,915 13.024,917 5.505,918 7.681,919 25.212,921 20.887,924 2.181,925 76.333,929 411.989,930 115.29,931 71.43,933 78.828,936 115.29,937 490.817,938 71.43,939 44.126,940 18.942,941 28.429,942 143.877,943 30.175,945 411.989,947 411.989,948 186.72,949 78.828,952 317.82,953 172.997,956 72.441,957 47.75,958 66.53,960 411.989,961 150.259,962 115.29,965 411.989,966 42.735,967 77.456,969 145.358,970 411.989,971 150.259,972 115.29,973 0.582,974 0.341,975 0.197,976 0.104,977 25,978 13,979 0.135,980 10,981 1,982 1.1,983 4.264,984 345.748,985 0.1,986 20,987 173.525,993 25.532,994 11.011,995 5.652,996 1.845,997 148.482,998 6.203,999 16.901,1003 3.737,1004 1.552,1005 42.683,1006 677.537,1007 47,1013 12.204,1017 -0.363,1020 70.847,1021 80.846,1022 0.247,1023 0.563,1024 0.792,1025 0.854,1026 0.868,1027 0.868,1028 5.136,1029 1.962,1030 6.084,1031 5.817,1032 4.691,1033 5.15,1034 2.612,1035 6.932,1036 4.623,1037 6.34,1038 1.643,1039 7.667,1040 5.765,1041 4.369,1042 5.066,1043 2.283,1044 7.906,1045 4.268,1046 7.655,1047 1.348,1048 9.351,1049 4.226,1050 6.315,1051 7.341,1052 3.924,1053 11.042,1054 6.176,1055 9.005,1056 1.284,1057 11.093,1058 3.583,1059 6.804,1060 8.081,1061 4.33,1062 12.852,1063 6.625,1064 10.387,1065 1.136,1066 12.875,1067 3.407,1068 8.236,1069 9.872,1070 5.56,1071 15.516,1072 8.023,1073 11.79,1074 0.942,1075 14.682,1076 2.486,1077 9.086,1078 10.997,1079 6.241,1080 17.68,1081 8.831,1082 13.212,1083 0.788,1084 16.51,1085 1.961,1086 10.332,1087 12.605,1088 7.299,1089 20.186,1090 10.041,1091 3.251,1092 0.618,1093 18.354,1094 1.586,1095 11.347,1096 13.919,1097 8.098,1098 22.503,1099 11.014,1100 3.116,1101 11.706,1102 20.209,1103 1.372,1104 12.525,1105 15.453,1106 9.076,1107 24.957,1108 12.156,1109 2.775,1110 10.351,1111 22.075,1112 4.532,1113 13.615,1114 16.861,1115 9.929,1116 27.342,1117 13.205,1118 2.578,1119 9.035,1120 23.949,1121 3.934,1122 14.773,1123 18.368,1124 10.87,1125 29.782,1126 14.325,1127 2.389,1128 8.126,1129 25.83,1130 3.519,1131 15.898,1132 19.822,1133 11.749,1134 32.198,1135 15.41,1136 2.157,1137 6.957,1138 27.717,1139 2.989,1140 17.051,1141 21.321,1142 12.672,1143 34.637,1144 16.524,1145 2.089,1146 5.988,1147 29.609,1148 2.87,1149 18.193,1150 22.798,1151 13.564,1152 37.068,1153 17.626,1154 15190,1155 23710,1156 24.679,1157 44.819,1158 57.066,1159 58.205,1160 59.244,1161 56.965,1162 56.936,1163 70.408,1164 8.457,1165 166.847,1166 54.997,1167 5.558,1168 5.717,1169 6.713,1170 5.254,1171 5.251,1172 7.532,1173 4.212,1174 19.124,1175 5.105,1176 20.867,1177 1.502,1178 1.532,1179 1.559,1180 1.499,1181 1.498,1182 1.853,1183 0.223,1184 4.391,1185 1.447,1186 4.11,1187 4.142,1188 4.07,1189 4.037,1190 7.432,1191 4.041,1192 3.97,1193 4.031,1194 3.922,1195 3.807,1196 6.475,1197 3.813,1198 3.832,1199 3.898,1200 3.726,1201 3.646,1202 5.208,1203 3.657,1204 3.64,1205 3.696,1206 3.526,1207 3.491,1208 4.893,1209 3.495,1210 3.578,1211 3.621,1212 3.479,1213 3.419,1214 4.462,1215 3.429,1216 3.518,1217 3.586,1218 3.383,1219 3.266,1220 4.371,1221 3.276,1222 3.275,1223 3.354,1224 3.109,1225 3.134,1226 4.265,1227 3.117,1228 3.242,1229 3.308,1230 3.073,1231 3.02,1232 4.166,1233 3.026,1234 0.121,1235 0.098,1236 0.183,1237 0.111,1238 0.086,1239 4.583,1240 0.119,1241 3.717,1242 0.065,1243 6.941,1244 0.308,1245 4.202,1246 0.082,1247 3.251,1248 4.532,1249 2.471,1250 11.706,1251 3.105,1252 2.061,1253 2.04,1254 2.137,1255 2.143,1256 1.366,1257 2.141,1258 1.815,1259 1.76,1260 1.999,1261 1.995,1262 1.281,1263 1.994,1264 1.609,1265 1.561,1266 1.86,1267 1.846,1268 1.211,1269 1.826,1270 1.577,1271 1.508,1272 1.835,1273 1.76,1274 1.161,1275 1.793,1276 1.557,1277 1.507,1278 1.817,1279 1.751,1280 0.953,1281 1.789,1282 1.512,1283 1.458,1284 1.721,1285 1.673,1286 0.923,1287 1.688,1288 1.414,1289 1.33,1290 1.665,1291 1.668,1292 0.861,1293 1.685,1294 1.299,1295 1.226,1296 1.624,1297 1.505,1298 0.721,1299 1.55,1300 4.344,1302 5.68,1303 3.045,1304 7.198,1305 5.209,1306 8.814,1307 7.14,1308 10.486,1310 10.175,1314 10.921,1315 5.276,1318 5.132,1320 0.351,1321 2.4,1326 42.175,1327 108.039,1328 245.612,1329 345.838,1330 372.858,1331 378.858,1332 378.858,1333 77.747,1334 7.756,1335 106.26,1336 106.26,1337 22,1338 12.893,1339 4.17,1340 3.322,1341 58.952,1342 136,1343 177,1344 0.203,1345 259.933,1346 447.47,1347 625.997,1348 23118,1350 25.112,1351 0.717,1352 0.61,1353 25.112,1354 21.361,1355 16.778,1356 0.442,1357 0.33,1358 12.383,1359 16.052,1360 11.922,1361 9.985,1362 16.778,1363 12.553,1364 15.436,1365 0.286,1366 0.184,1367 15.436,1368 9.919,1369 12.413,1370 0.172,1371 0.096,1372 12.413,1373 6.885,1374 11.036,1375 0.111,1376 0.054,1377 11.036,1378 5.359,1379 8.116,1380 0.068,1381 0.028,1382 8.116,1383 3.328,1384 0.311,1385 105.66,1386 0.201,1387 31.492,1388 0.582,1389 184,1390 515.491,1391 204.293,1392 494.619,1393 678.87,1394 462,1395 218,1396 514.211,1397 239.327,1398 514.79,1399 750.66,1400 482,1401 4.433}
{0 CHEMBL1455230,1 1.739,2 9.85,3 2.958,4 8.75,5 80.116,6 8.268,7 0.273,8 3.682,9 3.784,10 3.4,11 3.241,12 4.796,13 3.208,14 4.192,15 4.335,16 3.735,17 3.575,18 5.244,19 3.527,20 4.36,21 4.543,22 3.747,23 3.64,24 5.405,25 3.572,26 4.264,27 4.462,28 3.556,29 3.575,30 5.255,31 3.462,32 4.211,33 4.435,34 3.454,35 3.497,36 5.149,37 3.345,38 4.048,39 4.267,40 3.307,41 3.256,42 5.026,43 3.138,44 3.8,45 3.996,46 3.134,47 3.048,48 4.796,49 2.965,50 3.778,51 4.025,52 2.843,53 3.008,54 4.623,55 2.847,56 0.062,57 0.531,58 6.854,59 3.392,60 7.357,61 3.877,62 0.222,63 0.836,64 16.169,65 5.63,66 15.59,67 6.368,68 0.399,69 0.938,70 18.968,71 6.468,72 27.812,73 7.648,74 0.251,75 0.896,76 17.73,77 6.023,78 21.747,79 7.043,80 0.237,81 0.831,82 19.026,83 6.471,84 21.057,85 7.765,86 0.292,87 0.675,88 17.244,89 5.29,90 21.063,91 6.234,92 0.212,93 0.535,94 10.565,95 3.45,96 15.327,97 4.181,98 0.171,99 0.514,100 12.323,101 4.089,102 12.443,103 5.175,104 5,105 29,106 0.32,107 0.67,108 0.815,109 0.85,110 0.861,111 0.872,112 3.057,113 1.005,114 -3.35,115 -3.33,116 -3.19,120 40,126 4,135 1,136 1,143 3,144 1,145 2,158 1,160 1,167 1,174 4,177 4,180 1,182 2,185 2,188 1,189 8,192 1,194 1,197 2,201 6,209 3,213 1,214 3,219 1,222 2,226 2,227 2,232 2,239 1,240 1,245 1,247 1,255 1,260 3,267 1,271 3,274 484,275 14.008,276 14.008,277 14.008,278 14.008,279 14.008,280 12.7,281 17.056,282 8.621,283 14.613,284 10.857,285 10.857,286 10.857,287 10.857,288 10.857,289 8.767,290 18.077,291 4.071,292 11.85,293 3.39,294 1.493,295 0.707,296 0.514,297 0.457,298 0.4,299 3.746,305 1,306 1,307 1,308 426,309 2.345,313 160.227,317 85.557,320 1.665,321 15.674,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43.5,333 197,334 4.361,335 4.529,336 6.287,337 3.957,338 2.998,339 3.997,340 3.83,341 9.564,342 2.881,343 4.038,344 3.304,345 5.993,346 3.62,347 2.701,348 3.428,349 1.222,350 8.548,351 2.486,352 3.714,353 3.152,354 5.323,355 3.263,356 2.38,357 2.974,358 0.86,359 6.898,360 2.076,361 2.979,362 2.687,363 4.485,364 2.56,365 1.618,366 2.076,367 0.86,368 4.508,369 1.518,370 2.922,371 2.188,372 4.304,373 2.529,374 1.618,375 2.043,376 0.586,377 4.08,378 1.467,379 2.793,380 1.979,381 3.61,382 2.359,383 1.422,384 1.724,385 0.184,386 2.961,387 1.321,388 2.457,389 1.957,390 3.43,391 2.218,392 1.269,393 1.449,395 2.592,396 1.193,397 2.158,398 1.643,399 3.414,400 1.865,401 1,402 1.088,404 2.275,405 0.843,406 1.884,407 1.012,408 3.163,409 1.567,410 0.67,411 0.789,413 1.553,414 0.594,415 1.734,416 0.881,417 2.691,418 1.248,419 0.326,420 0.41,422 0.551,423 0.299,424 0.951,425 0.706,426 2.375,427 0.644,428 -0.28,429 -0.324,431 -0.591,432 -0.253,433 0.687,434 0.061,435 2.167,436 0.318,437 -0.618,438 -0.718,440 -1.344,441 -0.55,442 0.651,443 -0.076,444 2,445 0.291,446 -0.618,447 -0.729,449 -1.602,450 -0.571,451 0.433,452 -0.309,453 2,454 -0.113,455 -1,456 -1.215,458 -2.237,459 -0.85,460 0.155,461 -0.574,462 1.697,463 -0.125,464 -1.07,465 -1.436,467 -2.939,468 -1.009,469 9.7,470 0.485,471 0.307,472 0.015,473 24,474 1.2,475 11,476 0.55,477 13,478 0.65,479 14.971,480 0.749,481 21.5,482 0.614,483 14.746,484 0.737,485 4.761,486 0.238,487 5.103,488 0.255,489 0.052,491 0.258,496 0.851,497 1.136,498 0.713,499 0.964,500 0.875,501 0.907,502 1.261,503 1.198,504 1.046,505 1.15,506 1.066,507 0.962,508 1.204,509 1.009,510 0.907,511 0.887,512 1.079,513 0.885,514 1.163,515 1.074,516 1.204,517 1.036,518 1.202,519 1.064,520 0.733,521 1.065,522 1.19,523 1.128,524 0.793,525 1.041,526 0.861,527 1.061,528 1.183,529 1.172,530 0.84,531 0.995,532 1.109,533 1.065,534 0.936,535 0.979,536 1.245,537 1.051,538 0.594,539 0.922,540 1.12,541 1.065,542 0.74,543 1.042,544 3,545 0.041,546 2,547 0.563,548 0.818,549 0.535,550 0.242,551 0.127,552 0.114,553 0.056,554 4078,555 11492,556 2.138,557 42.9,559 14,562 1,567 1.612,568 2.069,569 3.273,570 -0.222,572 1,574 1,575 60.864,576 1.739,577 3.636,578 4.422,579 4.615,580 4.672,581 4.729,582 2.795,583 3.746,584 4.286,585 3.382,586 642.533,587 7.299,588 6583.32,589 1,590 1,591 1,592 1,593 179.525,594 1.076,595 4.283,596 0.136,597 0.006,598 0.069,599 0.019,600 0.036,601 0.027,602 0.014,603 0.009,604 0.01,605 0.006,606 0.333,607 0.5,608 1,609 1.08,610 89.56,611 0.009,612 -0.021,613 0.077,614 -0.009,615 -0.028,616 0.002,617 -0.101,618 -0.145,619 -0.019,620 -0.106,621 -0.093,622 -0.03,623 0.003,624 -0.016,625 0.036,626 0.059,628 0.043,629 -0.244,630 -0.003,631 -0.185,632 -0.039,633 -0.256,634 -0.127,635 0.016,636 -0.046,637 -0.046,638 -0.035,639 0.075,640 -0.03,641 0.139,642 -0.06,643 -0.011,644 -0.091,645 0.162,646 -0.005,647 -0.037,648 -0.034,649 -0.033,650 -0.082,651 -0.18,652 -0.143,653 0.089,654 0.053,655 -0.067,656 -0.042,657 0.037,658 -0.023,659 0.911,660 2.083,661 0.8,662 17.04,663 1.01,664 1.124,665 2.118,666 4.487,667 0.69,668 3.135,669 3.401,670 3.664,671 3.892,672 4.159,673 4.174,674 4.29,675 4.369,676 4.454,677 4.369,678 5.574,679 0.653,680 289.39,681 3.135,682 4.635,683 5.468,684 6.319,685 7.172,686 8.032,687 8.894,688 9.758,689 10.623,690 11.49,691 8.6,693 1,700 2,709 3,714 3,716 6,719 1,735 2,738 35,739 9,740 1,741 22,743 37,744 14,745 6,746 3,747 3,748 2,752 3,753 4,768 10,769 4,772 3,773 1,780 1,781 2,782 2,785 1,786 1,789 15,790 5,791 1,792 6,793 1,797 3,803 0.667,804 2,823 3,827 1,843 1,845 1,849 1,855 2,856 1,857 1,862 20,869 4,871 1,872 2,873 1,886 5.7,891 2,893 9.667,894 6.233,895 4.556,896 1.98,898 2.015,899 1.298,900 0.977,901 4.281,902 8.772,903 3.367,904 3.861,905 4.373,906 4.87,907 5.422,908 5.636,909 5.974,910 6.237,911 6.545,912 6.661,913 0.857,914 29,915 7.349,917 3.029,918 7.633,919 14.139,921 11.286,924 2.133,925 42.667,926 0.001,929 164.795,930 115.204,931 51.337,933 22,935 32.22,936 82.984,937 186.795,938 51.337,940 27.957,941 55.916,942 2.757,943 68.998,944 0.693,945 197.015,947 164.795,948 134.321,949 22,950 32.22,952 164.795,953 22,956 63.527,957 61.318,958 9.476,959 32.22,960 164.795,961 73.337,962 115.204,965 164.795,966 61.532,967 37.905,968 18.011,969 71.093,970 164.795,971 73.337,972 115.204,973 0.559,974 0.325,975 0.175,976 0.102,977 14,978 5,979 0.108,980 4,981 1,982 1.125,983 3.379,984 145.81,985 0.125,986 16,987 86.439,989 1,993 13.525,994 6.33,995 3.186,997 73.337,998 5.877,1003 2.593,1005 18.011,1006 353.336,1007 28,1008 3.66,1015 1.795,1016 8.447,1017 1.766,1020 35.338,1021 39.325,1022 0.339,1023 0.709,1024 0.862,1025 0.9,1026 0.911,1027 0.922,1028 4.58,1029 1,1030 5.407,1031 2.592,1032 4.078,1033 4.543,1034 3.579,1035 6.159,1036 3.918,1037 5.737,1038 0.67,1039 6.921,1040 2.275,1041 3.434,1042 4.182,1043 1.998,1044 6.934,1045 3.235,1046 7.016,1047 0.326,1048 8.537,1049 1.553,1050 5.602,1051 6.623,1052 6.012,1053 10.014,1054 5.312,1055 8.331,1056 -0.28,1057 10.216,1058 0.551,1059 5.832,1060 7.122,1061 4.939,1062 11.641,1063 5.515,1064 9.682,1065 -0.618,1066 11.935,1067 -0.591,1068 7.404,1069 9.004,1070 8.649,1071 14.191,1072 7.013,1073 11.057,1074 -0.618,1075 13.682,1076 -1.344,1077 8.06,1078 9.907,1079 7.909,1080 16.159,1081 7.649,1082 12.449,1083 -1,1084 15.447,1085 -1.602,1086 9.361,1087 11.54,1088 11.302,1089 18.516,1090 8.89,1091 2.998,1092 -1.07,1093 17.225,1094 -2.237,1095 10.229,1096 12.653,1097 10.811,1098 20.632,1099 9.737,1100 2.701,1101 9.564,1102 19.013,1103 -2.939,1104 11.405,1105 14.163,1106 13.957,1107 22.916,1108 10.864,1109 2.38,1110 8.548,1111 20.808,1112 3.997,1113 12.379,1114 15.39,1115 13.663,1116 25.097,1117 11.814,1118 1.618,1119 6.898,1120 22.609,1121 3.428,1122 13.499,1123 16.837,1124 16.614,1125 27.354,1126 12.893,1127 1.618,1128 4.508,1129 24.414,1130 2.974,1131 14.527,1132 18.129,1133 16.482,1134 29.567,1135 13.893,1136 1.422,1137 4.08,1138 26.223,1139 2.076,1140 15.623,1141 19.543,1142 19.272,1143 31.814,1144 14.953,1145 1.269,1146 2.961,1147 28.034,1148 2.043,1149 16.678,1150 20.873,1151 19.278,1152 34.043,1153 15.977,1154 3964,1155 6768,1156 15.197,1157 24.142,1158 32.627,1159 34.774,1160 32.67,1161 32.011,1162 32.004,1163 39.958,1164 15.086,1165 87.06,1166 29.359,1167 5.305,1168 6.529,1169 6.15,1170 5.115,1171 4.998,1172 6.997,1173 7.524,1174 15.984,1175 4.881,1176 5.944,1177 1.483,1178 1.581,1179 1.485,1180 1.455,1181 1.455,1182 1.816,1183 0.686,1184 3.957,1185 1.334,1186 3.979,1187 3.997,1188 4.037,1189 3.89,1190 5,1191 3.893,1192 3.714,1193 3.767,1194 3.839,1195 3.579,1196 4.864,1197 3.554,1198 3.557,1199 3.609,1200 3.441,1201 3.418,1202 4.706,1203 3.403,1204 3.386,1205 3.442,1206 3.317,1207 3.23,1208 4.309,1209 3.217,1210 3.046,1211 3.131,1212 2.948,1213 2.863,1214 4.211,1215 2.864,1216 2.887,1217 2.931,1218 2.844,1219 2.716,1220 3.976,1221 2.713,1222 2.684,1223 2.762,1224 2.752,1225 2.585,1226 3.538,1227 2.545,1228 2.642,1229 2.727,1230 2.486,1231 2.352,1232 3.429,1233 2.353,1234 0.198,1235 0.206,1236 0.286,1237 0.18,1238 0.136,1239 4.361,1240 0.182,1241 4.529,1242 0.174,1243 6.287,1244 0.435,1245 3.957,1246 0.131,1247 2.998,1248 3.997,1249 3.83,1250 9.564,1251 2.881,1252 1.92,1253 1.905,1254 2,1255 2.037,1256 1.152,1257 2.027,1258 1.645,1259 1.593,1260 1.844,1261 1.847,1262 0.974,1263 1.85,1264 1.519,1265 1.475,1266 1.709,1267 1.716,1268 0.902,1269 1.725,1270 1.362,1271 1.309,1272 1.532,1273 1.546,1274 0.786,1275 1.572,1276 1.01,1277 0.933,1278 1.307,1279 1.272,1280 0.205,1281 1.292,1282 0.859,1283 0.806,1284 1.122,1285 1.08,1286 0.186,1287 1.09,1288 0.673,1289 0.631,1290 0.918,1291 0.931,1292 0.055,1293 0.944,1294 0.599,1295 0.487,1296 0.905,1297 0.842,1298 0.025,1299 0.863,1300 3.807,1302 5.081,1304 6.575,1306 8.167,1308 9.807,1315 2.667,1317 3.136,1318 11.093,1319 1.632,1326 22.842,1327 60.864,1328 127.26,1329 154.77,1330 161.525,1331 163.525,1332 165.525,1333 23.36,1334 6.757,1335 55.21,1336 80.51,1337 18,1338 12.036,1339 3.322,1340 2.807,1341 30.179,1342 66,1343 78,1344 0.228,1345 144.825,1346 256.03,1347 345.133,1348 7078,1350 13.786,1351 0.689,1352 0.589,1353 14.14,1354 11.781,1355 9.865,1356 0.448,1357 0.335,1358 6.358,1359 8.955,1360 6.151,1361 5.072,1362 10.319,1363 7.373,1364 8.301,1365 0.286,1366 0.18,1367 8.878,1368 5.233,1369 7.104,1370 0.187,1371 0.1,1372 7.781,1373 3.797,1374 5.779,1375 0.12,1376 0.056,1377 6.469,1378 2.692,1379 4.944,1380 0.078,1381 0.031,1382 5.647,1383 1.939,1384 0.358,1385 66.907,1386 0.257,1387 20.192,1388 0.619,1389 102,1390 325.955,1391 137.699,1392 326.86,1393 449.54,1394 310,1395 118,1396 319.118,1397 150.065,1398 329.415,1399 482.76,1400 310,1401 5.234}
{0 CHEMBL1455507,1 1.933,2 9.792,3 4.798,4 23.018,5 96.473,6 11.242,7 0.48,8 3.687,9 3.741,10 3.738,11 3.422,12 4.894,13 3.356,14 4.172,15 4.252,16 4.171,17 3.782,18 5.678,19 3.711,20 4.413,21 4.514,22 4.315,23 3.908,24 5.841,25 3.81,26 4.54,27 4.666,28 4.271,29 3.813,30 6.14,31 3.754,32 4.333,33 4.464,34 4.221,35 3.679,36 6.034,37 3.626,38 4.178,39 4.258,40 4.179,41 3.702,42 5.785,43 3.622,44 4.229,45 4.329,46 3.939,47 3.617,48 5.745,49 3.524,50 3.995,51 4.109,52 3.874,53 3.445,54 5.422,55 3.322,56 0.141,57 0.445,58 2.894,59 3.193,60 23.379,61 2.974,62 0.402,63 0.695,64 9.11,65 5.163,66 60.672,67 5.441,68 0.512,69 0.885,70 21.66,71 7.975,72 56.548,73 7.356,74 0.957,75 0.923,76 26.503,77 9.224,78 142.772,79 7.818,80 0.821,81 0.76,82 18.871,83 7.032,84 146.332,85 6.197,86 0.51,87 0.607,88 17.109,89 6.103,90 56.372,91 5.594,92 0.684,93 0.608,94 23.991,95 6.648,96 93.746,97 5.161,98 0.531,99 0.474,100 22.35,101 5.178,102 74.47,103 4.871,104 51,105 36,106 0.348,107 0.633,108 0.727,109 0.807,110 0.807,111 0.807,112 3.229,113 1.113,114 -5.03,115 -4.93,116 -4.62,120 44.4,121 1,140 2,143 8,144 2,145 2,159 1,174 9,176 1,177 1,180 1,182 1,185 13,189 6,192 2,194 4,197 9,201 10,206 4,209 1,213 2,214 5,219 3,222 6,227 9,232 1,235 10,240 6,245 1,247 10,252 2,260 12,264 3,271 9,274 866,275 15.187,276 15.187,277 15.187,278 15.187,279 15.187,280 12.941,281 12.709,282 8.7,283 16.022,284 12.254,285 12.254,286 12.254,287 12.254,288 12.254,289 8.919,290 9.468,291 4.074,292 13.749,293 3.237,294 1.653,295 1.132,296 0.688,297 0.688,298 0.688,299 3.879,303 1,304 2,306 1,307 1,308 480,309 4.243,313 185.222,320 1.375,321 42.599,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 52.5,333 235,334 4.997,335 5.372,336 7.717,337 4.392,338 3.542,339 4.868,340 3.147,341 13.856,342 2.985,343 4.186,344 3.59,345 6.079,346 3.815,347 2.813,348 3.76,349 1.2,350 8.685,351 2.805,352 3.931,353 3.302,354 5.833,355 3.4,356 2.498,357 3.48,358 1.048,359 7.41,360 2.3,361 3.711,362 2.894,363 5.072,364 3.27,365 2.296,366 3.09,368 6.112,369 2.172,370 3.602,371 2.59,372 5.016,373 3.012,374 2.186,375 2.925,377 5.959,378 1.73,379 3.034,380 2.536,381 4.592,382 2.422,383 1.551,384 2.209,386 4.32,387 1.345,388 2.815,389 1.884,390 4.16,391 2.34,392 1.378,393 1.848,395 3.653,396 1.191,397 2.5,398 1.359,399 3.479,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 1.845,416 1,417 3.414,418 1.411,419 0.599,420 0.701,422 1.519,423 0.414,424 1.119,425 0.809,426 2.825,427 0.762,428 -0.216,429 -0.267,431 -0.474,432 -0.145,433 1.115,434 0.279,435 2.559,436 0.588,437 -0.25,438 -0.319,440 -0.544,441 -0.239,442 1,443 0.2,444 2,445 0.154,446 -0.785,447 -1,449 -2,450 -0.4,451 0.664,452 0.1,453 2,455 -1,456 -1.035,458 -2.106,459 -0.708,460 0.5,461 -0.224,462 2,464 -1,465 -1.5,467 -3,468 -0.887,469 12.376,470 0.516,471 0.873,472 0.036,473 32,474 1.333,475 17.5,476 0.729,477 14.5,478 0.604,479 19.33,480 0.805,481 25.424,482 0.706,483 25.311,484 1.055,485 6.301,486 0.263,487 4.912,488 0.205,489 0.294,490 0.067,491 0.283,496 0.503,497 1.086,498 0.602,499 0.934,500 0.64,501 0.751,502 0.52,503 1.1,504 0.525,505 0.819,506 0.59,507 0.815,508 0.768,509 1.309,510 0.801,511 1.182,512 0.889,513 1.083,514 1.245,515 1.086,516 1.007,517 1.104,518 1.417,519 0.995,520 1.074,521 0.824,522 0.625,523 0.586,524 1.18,525 0.607,526 1.112,527 1.1,528 1.309,529 1.134,530 0.857,531 0.94,532 1.855,533 0.776,534 1.648,535 1.067,536 1.733,537 1.057,538 1.286,539 0.756,540 1.131,541 0.886,542 1.338,543 1.068,544 7,545 0.082,546 4.222,547 2.25,548 1.604,549 1.229,550 0.671,551 0.411,552 0.266,553 0.102,554 5441,555 23511,556 1.893,557 33.3,558 3,559 8,562 1,567 1.673,568 1.704,569 3.223,570 -0.219,575 69.588,576 1.933,577 3.517,578 4.038,579 4.482,580 4.482,581 4.482,582 2.651,583 4.002,584 4.555,585 3.353,586 925.465,587 7.885,588 10700.1,590 1,593 186.117,594 1.759,595 4.458,596 0.28,597 0.01,598 0.117,599 0.059,600 0.046,601 0.037,602 0.021,603 0.016,604 0.013,605 0.007,606 0.607,607 0.17,608 1,609 0.901,610 112.978,611 0.038,612 0.005,613 0.052,614 -0.034,615 -0.127,616 0.036,617 0.217,618 -0.077,619 0.167,620 0.044,621 0.173,622 0.02,623 0.074,624 -0.231,625 0.043,626 -0.168,627 -0.003,628 -0.182,629 -0.028,630 -0.094,631 -0.032,632 -0.098,633 -0.065,634 -0.033,635 0.13,636 0.201,637 0.256,638 0.368,639 0.174,640 0.336,641 -0.054,642 -0.136,643 -0.123,644 -0.135,645 0.102,646 -0.034,647 -0.531,648 0.17,649 -0.434,650 -0.059,651 -0.392,652 -0.136,653 -0.177,654 0.1,655 -0.015,656 0.043,657 -0.27,658 -0.097,659 5.02,660 5.621,661 0.5,662 18.264,663 1.037,664 1.105,665 3.804,666 14.468,667 0.776,668 3.258,669 3.611,670 3.807,671 3.951,672 4.111,673 4.078,674 3.932,675 3.892,676 3.932,677 3.664,678 5.608,679 0.737,680 404.71,681 3.258,682 4.812,683 5.645,684 6.526,685 7.385,686 8.269,687 9.136,688 10.023,689 10.894,690 11.783,691 2.8,698 1,709 8,714 4,716 12,723 1,737 1,738 36,739 16,740 2,741 25,743 37,744 16,745 12,746 4,747 8,748 1,752 2,753 2,754 3,759 1,768 15,769 1,772 4,776 1,778 3,782 3,789 12,790 4,791 1,792 8,793 4,797 1,803 1,804 3,823 2,843 1,847 1,855 2,857 1,859 1,860 3,862 24,865 1,871 1,885 3,886 8.3,889 3,893 14.083,894 6.762,895 5.222,896 1.899,898 1.978,899 1.311,900 0.971,901 6.07,902 8.343,903 3.584,904 4.234,905 4.723,906 5.163,907 5.595,908 5.69,909 5.727,910 5.719,911 5.955,912 5.844,913 0.857,914 38,915 9.207,917 4.325,918 8.267,919 16.077,921 12.956,924 2.767,925 66.417,929 129.482,930 111.746,931 18.011,932 117.446,933 69.458,935 6.046,936 105.7,937 316.386,938 18.011,939 8.825,940 18.011,941 81.856,942 74.163,943 16.36,944 78.297,945 129.482,946 39.149,947 129.482,948 123.711,949 69.458,950 123.492,952 129.482,953 69.458,956 26.836,957 96.875,958 45.195,959 78.297,960 129.482,961 87.469,962 229.192,964 6.046,965 129.482,966 21.065,967 84.635,968 18.011,969 186.904,970 129.482,971 87.469,972 229.192,973 0.598,974 0.34,975 0.163,976 0.09,977 16,978 9,979 0.108,980 4,982 1,983 3.385,984 187.751,986 12,987 98.039,992 1,993 18.968,994 7.68,995 4.6,997 87.469,998 12.02,1003 1.524,1005 18.011,1006 446.143,1007 35,1011 -4.103,1013 37.498,1017 -1.787,1020 37.316,1021 39.785,1022 0.374,1023 0.68,1024 0.781,1025 0.867,1026 0.867,1027 0.867,1028 4.828,1029 1,1030 5.7,1031 3.653,1032 4.29,1033 4.92,1034 3.254,1035 6.575,1036 4.1,1037 6.106,1038 1,1039 7.326,1040 2.275,1041 4.205,1042 5.094,1044 7.917,1045 3.809,1046 7.479,1047 0.599,1048 9.074,1049 2.275,1050 6.004,1051 7.269,1052 5.317,1053 10.981,1054 5.612,1055 8.896,1056 -0.216,1057 10.899,1058 1.519,1059 6.698,1060 8.232,1062 13.188,1063 6.073,1064 10.349,1065 -0.25,1066 12.779,1067 -0.474,1068 8.093,1069 9.989,1070 7.577,1071 15.926,1072 7.436,1073 11.831,1074 -0.785,1075 14.698,1076 -0.544,1077 9.113,1078 11.294,1080 18.422,1081 8.222,1082 13.335,1083 -1,1084 16.647,1085 -2,1086 10.39,1087 12.919,1088 9.866,1089 21.081,1090 9.413,1091 3.542,1092 -1,1093 18.619,1094 -2.106,1095 11.548,1096 14.377,1098 23.667,1099 10.349,1100 2.813,1101 13.856,1102 20.608,1103 -3,1104 12.798,1105 15.963,1106 12.158,1107 26.305,1108 11.47,1109 2.498,1110 8.685,1111 22.61,1112 4.868,1113 14.013,1114 17.488,1116 28.92,1117 12.477,1118 2.296,1119 7.41,1120 24.622,1121 3.76,1122 15.262,1123 19.065,1124 14.451,1125 31.551,1126 13.57,1127 2.186,1128 6.112,1129 26.642,1130 3.48,1131 16.502,1132 20.62,1134 34.175,1135 14.612,1136 1.551,1137 5.959,1138 28.667,1139 3.09,1140 17.755,1141 22.196,1142 16.744,1143 36.804,1144 15.694,1145 1.378,1146 4.32,1147 30.697,1148 2.925,1149 19.007,1150 23.766,1152 39.431,1153 16.753,1154 5585,1155 11816,1156 15.315,1157 27.92,1158 38.241,1159 40.579,1160 39.952,1161 38.043,1162 37.725,1163 51.763,1164 10.79,1165 112.129,1166 33.882,1167 5.897,1168 7.372,1169 7.131,1170 5.53,1171 5.542,1172 7.868,1173 6.294,1174 22.063,1175 4.985,1176 15.795,1177 1.53,1178 1.623,1179 1.598,1180 1.522,1181 1.509,1182 2.071,1183 0.432,1184 4.485,1185 1.355,1186 4.099,1187 4.067,1188 4.766,1189 4.12,1190 7.715,1191 4.019,1192 3.929,1193 3.949,1194 3.994,1195 3.872,1196 7.429,1197 3.866,1198 3.699,1199 3.698,1200 3.905,1201 3.653,1202 6.999,1203 3.61,1204 3.371,1205 3.385,1206 3.865,1207 3.204,1208 5.037,1209 3.2,1210 3.128,1211 3.141,1212 3.312,1213 3.057,1214 4.926,1215 3.008,1216 2.913,1217 2.938,1218 3.152,1219 2.735,1220 4.714,1221 2.715,1222 2.854,1223 2.925,1224 2.951,1225 2.735,1226 4.258,1227 2.715,1228 2.854,1229 2.925,1230 2.789,1231 2.667,1232 4.11,1233 2.673,1234 0.2,1235 0.215,1236 0.309,1237 0.176,1238 0.142,1239 4.997,1240 0.195,1241 5.372,1242 0.126,1243 7.717,1244 0.554,1245 4.392,1246 0.119,1247 3.542,1248 4.868,1249 3.147,1250 13.856,1251 2.985,1252 1.977,1253 1.998,1254 2.043,1255 2.033,1256 1.199,1257 2.065,1258 1.921,1259 1.898,1260 1.953,1261 1.988,1262 1.137,1263 2.012,1264 1.601,1265 1.614,1266 1.583,1267 1.712,1268 0.773,1269 1.73,1270 1.286,1271 1.255,1272 1.397,1273 1.472,1274 0.619,1275 1.501,1276 1.003,1277 0.999,1278 1.181,1279 1.243,1280 0.218,1281 1.254,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.017,1291 1.062,1292 0.165,1293 1.107,1294 0.799,1295 0.768,1296 0.862,1297 0.956,1299 0.967,1300 3.932,1302 5.273,1304 6.806,1306 8.422,1308 10.083,1310 1.869,1311 17.135,1317 2.261,1326 26.523,1327 69.588,1328 126.608,1329 145.362,1330 161.362,1331 161.362,1332 161.362,1333 72.778,1334 6.365,1335 63.24,1336 71.62,1337 12,1338 12.316,1339 4.087,1340 3.459,1341 48.211,1342 77,1343 90,1344 0.301,1345 180.955,1346 319.23,1347 433.289,1348 3837,1349 8.3,1350 17.905,1351 0.746,1352 0.645,1353 19.655,1354 15.47,1355 11.213,1356 0.449,1357 0.371,1358 6.818,1359 9.418,1360 6.384,1361 5.305,1362 12.868,1363 9.272,1364 10.862,1365 0.302,1366 0.226,1367 13.625,1368 8.139,1369 8.319,1370 0.189,1371 0.129,1372 10.468,1373 5.696,1374 6.19,1375 0.121,1376 0.075,1377 8.418,1378 3.818,1379 4.677,1380 0.078,1381 0.042,1382 6.274,1383 2.535,1384 0.461,1385 86.678,1386 0.256,1387 23.192,1388 0.857,1389 122,1390 447.01,1391 224.642,1392 542.66,1393 685.06,1394 492,1395 141,1396 387.231,1397 233.559,1398 460.909,1399 671,1400 428,1401 5.107}
{0 CHEMBL1455957,1 1.942,2 6.211,3 -0.275,4 0.076,5 59.704,6 10.488,7 0.818,8 3.506,9 3.591,10 3.338,11 2.882,12 4.888,13 2.987,14 3.985,15 4.094,16 3.755,17 3.298,18 5.397,19 3.411,20 4.067,21 4.214,22 3.766,23 3.276,24 5.497,25 3.406,26 4.098,27 4.229,28 3.824,29 3.191,30 5.619,31 3.362,32 3.963,33 4.075,34 3.628,35 2.939,36 5.561,37 3.108,38 3.642,39 3.768,40 3.06,41 2.626,42 5.396,43 2.721,44 3.488,45 3.689,46 2.381,47 2.279,48 4.723,49 2.311,50 3.119,51 3.319,52 1.424,53 1.566,54 4.454,55 1.606,56 0.286,57 0.452,58 1.964,59 1.535,60 14.464,61 1.374,62 0.57,63 0.708,64 5.084,65 2.918,66 42.844,67 2.855,68 0.575,69 0.706,70 7.119,71 2.731,72 47.886,73 2.821,74 0.595,75 0.655,76 5.747,77 2.359,78 43.429,79 2.014,80 0.683,81 0.465,82 6.052,83 2.44,84 44.62,85 2.439,86 0.543,87 0.318,88 4.347,89 1.902,90 70.063,91 1.58,92 0.467,93 0.22,94 5.394,95 1.423,96 36.317,97 0.983,98 0.459,99 0.087,100 5.43,101 0.867,102 45.378,103 0.13,104 11,105 34,106 0.367,107 0.658,108 0.737,109 0.767,110 0.797,111 0.827,112 3.015,113 0.75,114 -1.68,115 -1.75,116 -1.77,120 36,121 1,122 1,147 5,153 1,162 1,167 6,174 1,176 4,177 1,180 1,182 1,188 4,189 1,192 1,194 1,200 9,204 3,213 9,214 2,217 4,226 4,227 7,240 6,252 1,274 272,275 13.025,276 13.025,277 13.025,278 13.025,279 13.025,280 10.823,281 6.466,282 7.259,283 13.276,284 10.787,285 10.787,286 10.787,287 10.787,288 10.787,289 7.282,290 2.471,291 3.347,292 11.22,293 2.702,294 1.165,295 0.75,296 0.59,297 0.43,298 0.27,299 3.707,306 1,307 1,308 263,309 2.345,312 74.466,313 26.076,316 126.617,319 175.007,320 0.875,321 28.648,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 45,333 118,334 4.963,335 3.601,336 7.208,337 4.417,338 3.45,339 5.216,341 12.739,342 3.334,343 4.342,344 3.27,345 6.42,346 3.749,347 2.789,348 4.314,350 9.732,351 2.676,352 4.217,353 2.972,354 6.225,355 3.672,356 2.72,357 4.055,359 9.176,360 2.586,361 3.502,362 2.496,363 5.229,364 3.044,365 2.084,366 2.908,368 6.352,369 1.996,370 3.349,371 2.203,372 4.89,373 2.71,374 1.732,375 2.757,377 5.022,378 1.693,379 3.196,380 2.019,381 4.861,382 2.636,383 1.664,384 2.489,386 4.948,387 1.616,388 2.525,389 1.15,390 4.089,391 1.97,392 1.014,393 1.511,395 2.828,396 0.966,397 2.402,398 1,399 3.824,400 1.842,401 0.875,402 1.328,404 2.231,405 0.844,406 2.13,407 0.659,408 3.612,409 1.572,410 0.632,411 0.945,413 1.866,414 0.593,415 1.551,416 0.506,417 2.748,418 1.34,419 0.364,420 0.412,422 0.523,423 0.355,424 1.293,425 0.221,426 2.625,427 0.638,428 -0.347,429 -0.557,431 -0.857,432 -0.342,433 1.096,434 0.083,435 2.609,436 0.38,437 -0.588,438 -0.955,440 -1.535,441 -0.568,442 0.512,443 -0.883,444 2,445 -0.09,446 -1.054,447 -1.375,449 -2.848,450 -1.009,451 0.379,452 -0.929,453 2,454 -0.182,455 -1.157,456 -1.701,458 -3.215,459 -1.123,460 0.092,461 -1.071,462 2,463 -0.288,464 -1.275,465 -1.975,467 -3.501,468 -1.256,469 8.233,470 0.433,471 0.555,472 0.029,473 28.5,474 1.5,475 14,476 0.737,477 14.5,478 0.763,479 11.412,480 0.601,481 20.567,482 0.823,483 18.774,484 0.988,485 5.492,486 0.289,487 3.711,488 0.195,489 0.142,491 0.522,496 0.412,497 1.132,498 0.471,499 0.836,500 0.479,501 0.75,502 0.579,503 1.319,504 0.419,505 1.095,506 0.48,507 0.804,508 0.791,509 1.219,510 0.549,511 0.982,512 0.732,513 0.713,514 0.837,515 0.957,516 0.703,517 0.969,518 0.762,519 0.811,520 0.701,521 0.863,522 0.746,523 1.101,524 0.977,525 1.039,526 1.075,527 1.048,528 1.398,529 1.331,530 1.27,531 1.493,532 1.759,533 0.811,534 2.175,535 1.123,536 1.273,537 1.607,538 2.971,539 0.16,540 3.089,541 0.284,542 2.75,543 1.286,544 3.5,546 2.444,547 1.847,548 1.637,549 0.865,550 0.359,551 0.113,554 2823,555 11171,556 2.172,557 24,558 3,562 1,563 2,567 1.614,568 2,569 2.624,570 0.009,575 48.548,576 1.942,577 3.479,578 3.894,579 4.054,580 4.214,581 4.374,582 2.089,583 3.326,584 4.221,585 2.692,586 460.4,587 7.246,588 4289.43,590 1,593 116.096,594 1.462,595 4.169,596 0.159,598 0.072,599 0.054,600 0.048,601 0.033,602 0.026,603 0.019,606 0.411,607 0.67,608 1,609 0.868,610 78.159,611 0.317,612 0.079,613 0.085,614 0.172,615 0.039,616 0.026,617 0.188,618 -0.203,619 0.333,620 -0.035,621 0.142,622 0.145,623 -0.026,624 -0.169,625 0.337,626 -0.003,627 0.032,628 0.271,629 0.03,630 0.089,631 0.106,632 -0.113,633 -0.002,634 -0.012,635 0.418,636 0.044,637 0.244,638 -0.176,639 0.103,640 -0.137,641 0.039,642 -0.191,643 -0.319,644 -0.331,645 0.225,646 -0.463,647 -0.673,648 -0.084,649 -0.815,650 -0.192,651 -0.316,652 -0.415,653 -1.4,654 0.274,655 -1.409,656 0.598,657 -0.956,658 -0.059,659 1.813,660 4.638,661 0.789,662 9.629,663 1.077,664 1.153,665 0.448,666 0.201,667 0.674,668 3.135,669 3.555,670 3.97,671 4.382,672 4.644,673 4.898,674 5.088,675 5.209,676 5.159,677 5.069,678 3.839,679 0.72,680 262.21,681 3.135,682 4.727,683 5.652,684 6.603,685 7.55,686 8.508,687 9.461,688 10.421,689 11.377,690 12.336,691 24,699 1,701 3,702 2,708 6,710 3,711 1,712 2,714 1,716 18,738 25,739 20,740 1,741 22,743 28,744 9,745 7,746 6,752 4,753 11,759 1,766 1,768 7,769 2,772 2,778 2,786 1,789 6,790 7,791 1,792 10,794 1,797 6,803 0.25,804 4,822 3,823 1,826 3,829 3,855 1,859 1,862 19,869 1,886 16,891 2,892 2,893 9.5,894 5.167,895 4.056,896 1.625,898 4.057,899 1.554,900 1.047,901 1.979,902 11.385,903 3.526,904 4.353,905 5.178,906 6.005,907 6.668,908 7.32,909 7.915,910 8.425,911 8.779,912 9.087,913 1,914 34,915 6.964,917 3.212,918 8.219,919 12.549,921 10.582,924 2.719,925 51.667,929 58.856,930 26.552,931 84.73,933 70.669,936 26.552,937 129.524,938 84.73,939 20.791,940 2.535,942 58.307,943 47.428,944 2.144,945 58.856,946 50.747,947 58.856,948 111.283,949 70.669,952 58.856,953 19.922,954 50.747,956 41.194,957 2.144,958 67.945,960 58.856,961 155.399,962 26.552,965 58.856,966 17.727,967 20.791,968 16.786,969 126.647,970 58.856,971 155.399,972 26.552,973 0.6,974 0.381,975 0.228,976 0.127,977 21,978 9,979 0.036,980 1,981 3,982 1.4,983 3.016,984 162.979,985 0.4,986 15,987 80.711,993 10.809,994 3.479,995 1.238,996 1.245,997 126.647,999 11.513,1000 3.003,1001 9.088,1003 0.658,1005 16.786,1006 240.807,1007 33,1013 23.221,1020 26.92,1021 28.827,1022 0.418,1023 0.749,1024 0.838,1025 0.873,1026 0.907,1027 0.942,1028 4.783,1029 0.875,1030 5.687,1031 2.828,1032 4.234,1033 5.04,1035 6.635,1036 4.157,1037 6.086,1038 0.632,1039 7.327,1040 2.231,1041 4.007,1042 5.247,1044 7.771,1045 3.893,1046 7.476,1047 0.364,1048 9.066,1049 1.866,1050 5.953,1051 7.596,1053 10.97,1054 5.798,1055 8.911,1056 -0.347,1057 10.863,1058 0.523,1059 6.567,1060 8.643,1062 12.943,1063 6.374,1064 10.379,1065 -0.588,1066 12.698,1067 -0.857,1068 8.007,1069 10.488,1071 15.676,1072 7.78,1073 11.87,1074 -1.054,1075 14.559,1076 -1.535,1077 8.974,1078 11.88,1080 17.981,1081 8.712,1082 13.38,1083 -1.157,1084 16.439,1085 -2.848,1086 10.251,1087 13.567,1089 20.572,1090 9.956,1091 3.45,1092 -1.275,1093 18.334,1094 -3.215,1095 11.366,1096 15.101,1098 23.012,1099 11.038,1100 2.789,1101 12.739,1102 20.241,1103 -3.501,1104 12.596,1105 16.742,1107 25.562,1108 12.235,1109 2.72,1110 9.732,1111 22.158,1112 5.216,1113 13.773,1114 18.335,1116 28.059,1117 13.38,1118 2.084,1119 9.176,1120 24.082,1121 4.314,1122 14.993,1123 19.967,1125 30.599,1126 14.568,1127 1.732,1128 6.352,1129 26.013,1130 4.055,1131 16.199,1132 21.586,1134 33.121,1135 15.741,1136 1.664,1137 5.022,1138 27.95,1139 2.908,1140 17.421,1141 23.221,1143 35.66,1144 16.931,1145 1.014,1146 4.948,1147 29.891,1148 2.757,1149 18.64,1150 24.853,1152 38.193,1153 18.118,1154 2738,1155 5630,1156 14.74,1157 16.852,1158 34.356,1159 35.513,1160 37.081,1161 34.634,1162 34.649,1163 51.873,1165 110.835,1166 33.317,1167 5.53,1168 5.601,1169 6.743,1170 5.478,1171 5.45,1172 8.216,1174 20.739,1175 5.334,1176 8.771,1177 1.562,1178 1.614,1179 1.686,1180 1.574,1181 1.575,1182 2.358,1184 5.038,1185 1.514,1186 4.319,1187 4.348,1188 4.318,1189 4.125,1190 7.486,1191 4.165,1192 3.805,1193 3.841,1194 3.807,1195 3.527,1196 7.477,1197 3.565,1198 3.776,1199 3.819,1200 3.738,1201 3.344,1202 5.264,1203 3.453,1204 3.331,1205 3.413,1206 3.147,1207 3.113,1208 4.996,1209 3.118,1210 2.756,1211 2.781,1212 2.74,1213 2.393,1214 4.841,1215 2.444,1216 2.685,1217 2.729,1218 2.659,1219 2.264,1220 3.988,1221 2.391,1222 2.536,1223 2.604,1224 2.449,1225 2.188,1226 3.694,1227 2.261,1228 2.305,1229 2.439,1230 2.148,1231 1.877,1232 3.67,1233 1.901,1234 0.226,1235 0.164,1236 0.328,1237 0.201,1238 0.157,1239 4.963,1240 0.237,1241 3.601,1243 7.208,1244 0.579,1245 4.417,1246 0.152,1247 3.45,1248 5.216,1250 12.739,1251 3.334,1252 1.987,1253 1.967,1254 1.992,1255 2.132,1256 1.215,1257 2.085,1258 1.634,1259 1.567,1260 1.87,1261 1.887,1262 1.048,1263 1.857,1264 1.356,1265 1.33,1266 1.394,1267 1.857,1268 0.415,1269 1.723,1270 1.252,1271 1.206,1272 1.356,1273 1.704,1274 0.284,1275 1.59,1276 0.988,1277 0.925,1278 1.118,1279 1.389,1280 0.146,1281 1.355,1282 0.753,1283 0.707,1284 0.885,1285 1.062,1287 1.005,1288 0.675,1289 0.636,1290 0.718,1291 1.031,1293 0.949,1294 0.267,1295 0.109,1296 0.663,1297 0.663,1299 0.712,1300 3.807,1302 5.198,1303 3.434,1304 6.786,1305 5.82,1306 8.474,1307 7.947,1308 10.226,1310 1.904,1315 0.636,1326 17.988,1327 48.548,1328 86.977,1329 97.342,1330 101.342,1331 105.342,1332 109.342,1333 30.256,1334 7.328,1335 131.66,1336 131.66,1337 21,1338 12.82,1339 4.392,1340 3.585,1341 24.076,1342 48,1343 46,1344 0.293,1345 106.714,1346 156.54,1347 252.143,1348 12554,1350 13.146,1351 0.692,1352 0.504,1353 13.146,1354 9.576,1355 9.203,1356 0.418,1357 0.25,1358 5.327,1359 8.39,1360 5.3,1361 4.361,1362 9.203,1363 5.498,1364 8.665,1365 0.255,1366 0.118,1367 8.665,1368 4.015,1369 8.091,1370 0.156,1371 0.058,1372 8.091,1373 2.999,1374 7.436,1375 0.094,1376 0.027,1377 7.436,1378 2.146,1379 6.023,1380 0.058,1381 0.014,1382 6.023,1383 1.415,1384 0.419,1385 61.231,1386 0.26,1387 17.911,1388 0.944,1389 112,1390 469.501,1391 135.613,1392 436.064,1393 599.49,1394 402,1395 142,1396 490.574,1397 169.334,1398 467.455,1399 688.75,1400 438,1401 5.118}
{0 CHEMBL1456313,1 1.326,2 10.348,3 4.344,4 18.872,5 94.685,6 6.733,7 0.261,8 3.882,9 3.995,10 3.311,11 3.419,12 5.057,13 3.368,14 4.382,15 4.569,16 3.622,17 3.769,18 5.447,19 3.692,20 4.636,21 4.818,22 3.772,23 3.932,24 5.802,25 3.849,26 4.817,27 5.033,28 3.755,29 3.948,30 6.071,31 3.839,32 4.803,33 5.049,34 3.591,35 3.838,36 5.949,37 3.718,38 4.654,39 4.896,40 3.479,41 3.657,42 6.1,43 3.534,44 4.458,45 4.733,46 3.23,47 3.501,48 5.51,49 3.37,50 4.239,51 4.431,52 3.145,53 3.424,54 5.423,55 3.32,56 0.042,57 0.576,58 10.367,59 4.906,60 14.258,61 6.27,62 0.071,63 0.9,64 17.673,65 7.754,66 25.085,67 10.369,68 0.128,69 1.118,70 23.271,71 9.545,72 40.458,73 12.685,74 0.46,75 1.243,76 29.029,77 10.622,78 102.24,79 14.456,80 0.345,81 1.176,82 29.034,83 10.038,84 82.12,85 13.794,86 0.706,87 0.989,88 25.518,89 8.455,90 161.684,91 11.74,92 0.244,93 0.832,94 20.49,95 7.188,96 59.13,97 10.11,98 0.235,99 0.698,100 16.218,101 5.903,102 56.679,103 7.772,104 76,105 31,106 0.23,107 0.606,108 0.814,109 0.873,110 0.88,111 0.88,112 3.187,113 1.002,114 -4.55,115 -4.48,116 -4.22,120 40.4,121 4,122 2,123 1,136 3,137 1,143 1,144 3,145 2,156 1,157 1,174 12,177 3,182 4,185 15,189 3,194 4,197 13,201 6,204 1,205 1,206 4,209 12,214 3,222 10,226 1,227 3,230 3,232 2,235 7,240 4,245 2,247 9,252 2,257 2,260 7,264 2,269 4,271 8,274 749,275 14.723,276 14.723,277 14.723,278 14.723,279 14.723,280 13.216,281 14.9,282 8.542,283 14.727,284 11.123,285 11.123,286 11.123,287 11.123,288 11.123,289 8.74,290 15.801,291 3.852,292 11.146,293 4.229,294 2.066,295 0.873,296 0.532,297 0.49,298 0.49,299 3.82,306 1,307 1,308 464,309 4.183,313 90.277,320 1.55,321 34.217,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 50,333 238,334 4.535,335 3.577,336 6.698,337 4.148,338 3.163,339 4.267,340 1.447,341 10.681,342 3.113,343 3.943,344 3.342,345 5.842,346 3.58,347 2.572,348 3.275,350 7.752,351 2.592,352 3.772,353 2.857,354 5.327,355 3.464,356 2.461,357 3.107,359 6.836,360 2.467,361 3.584,362 2.782,363 5.252,364 3.235,365 2.229,366 2.835,368 6.361,369 2.234,370 3.309,371 2.405,372 4.894,373 2.975,374 1.991,375 2.557,377 5.471,378 1.961,379 3.048,380 2.258,381 4.56,382 2.842,383 1.841,384 2.055,386 4.758,387 1.828,388 2.5,389 2.161,390 3.738,391 2.019,392 0.984,393 1.3,395 2.213,396 1.003,397 2.304,398 1.183,399 3.191,400 1.608,401 0.589,402 0.874,404 1.219,405 0.597,406 1.702,407 0.919,408 3.023,409 1.414,410 0.438,411 0.505,413 0.926,414 0.42,415 1.34,416 0.719,417 2.584,418 1.282,419 0.282,420 0.301,422 0.401,423 0.281,424 1.266,425 0.484,426 2.446,427 0.832,428 -0.204,429 -0.299,431 -0.337,432 -0.208,433 0.944,434 0.319,435 2.146,436 0.638,437 -0.353,438 -0.424,440 -0.894,441 -0.344,442 0.713,443 -0.31,444 1.734,445 0.459,446 -0.548,447 -0.618,449 -1.249,450 -0.551,451 0.31,452 -0.336,453 1.706,454 0.052,455 -1,456 -1.114,458 -2.412,459 -1.021,460 0.073,461 -0.723,462 1.462,463 -0.121,464 -1.096,465 -1.388,467 -2.774,468 -1.075,469 10.833,470 0.471,471 0.706,472 0.031,473 25.5,474 1.109,475 13,476 0.565,477 12.5,478 0.543,479 20.935,480 0.91,481 26.367,482 0.561,483 20.112,484 0.874,485 5.058,486 0.22,487 5.736,488 0.249,489 0.308,491 0.369,496 0.768,497 1.124,498 0.937,499 1.12,500 0.747,501 1.067,502 0.572,503 1.042,504 0.771,505 1.032,506 0.572,507 0.951,508 0.861,509 1.236,510 0.985,511 1.223,512 0.859,513 1.14,514 0.907,515 1.116,516 1.006,517 1.113,518 0.885,519 1.082,520 1.165,521 0.992,522 0.995,523 0.981,524 1.181,525 0.961,526 0.882,527 0.907,528 0.951,529 0.915,530 0.986,531 0.941,532 0.92,533 0.771,534 0.787,535 0.764,536 0.961,537 0.753,538 1.46,539 1.061,540 1.301,541 1.071,542 1.582,543 1.145,544 6,545 0.145,546 3.111,547 2.063,548 1.596,549 0.681,550 0.468,551 0.231,552 0.243,553 0.161,554 4881,555 13288,556 1.81,557 51.1,558 15,559 4,561 1,562 2,563 2,567 1.656,568 1.624,569 3.296,570 0.235,572 1,575 62.316,576 1.326,577 3.489,578 4.682,579 5.022,580 5.065,581 5.065,582 2.686,583 4.263,584 4.495,585 3.493,586 883.686,587 7.731,588 10452.9,590 1,592 1,593 261.066,594 1.582,595 4.392,596 0.261,597 0.01,598 0.1,599 0.061,600 0.051,601 0.026,602 0.021,603 0.012,604 0.014,605 0.009,606 0.567,607 0.17,608 1,609 2.41,610 109.184,611 -0.072,612 0.072,613 -0.028,614 0.066,615 -0.084,616 0.033,617 0.031,618 0.056,619 0.138,620 0.069,621 0.036,622 0.115,623 -0.028,624 -0.163,625 -0.041,626 -0.154,627 -0.033,628 -0.108,629 0.114,630 -0.119,631 -0.024,632 -0.12,633 0.087,634 -0.1,635 -0.084,636 -0.042,637 0.004,638 -0.033,639 -0.075,640 -0.004,641 0.326,642 0.03,643 0.069,644 0.017,645 0.32,647 -0.022,648 0.16,649 0.19,650 0.175,651 -0.006,652 0.214,653 -0.247,654 -0.042,655 -0.296,656 -0.066,657 -0.259,658 -0.172,659 1.945,660 5.055,661 0.261,662 19.72,663 0.998,664 1.124,665 3.324,666 11.048,667 0.637,668 3.178,669 3.466,670 3.638,671 3.761,672 3.85,673 3.807,674 3.638,675 3.497,676 3.401,677 3.367,678 6.183,679 0.6,680 316.43,681 3.178,682 4.691,683 5.501,684 6.354,685 7.188,686 8.047,687 8.891,688 9.754,689 10.605,690 11.472,709 1,714 5,716 6,717 1,734 2,738 47,739 10,740 1,741 23,743 47,744 19,745 6,746 5,747 1,748 6,752 1,753 1,759 4,766 2,768 12,769 7,770 1,772 4,778 2,780 4,782 2,786 1,789 24,790 4,791 2,792 4,803 1,804 4,823 1,836 1,845 3,846 1,855 1,859 4,862 23,868 2,869 2,874 1,886 8.5,888 2,889 2,893 14.167,894 9.483,895 5.361,896 2.919,898 2.04,899 1.334,900 0.864,901 7.084,902 8.141,903 3.434,904 3.961,905 4.451,906 4.884,907 5.313,908 5.475,909 5.474,910 5.502,911 5.564,912 5.801,913 0.857,914 34,915 8.552,917 3.507,918 8.109,919 15.858,921 12.248,924 2.609,925 60,928 1,929 258.964,930 107.575,933 135.657,936 107.575,937 394.621,939 35.301,940 5.069,941 37.905,942 163.985,943 12.742,945 247.193,947 258.964,948 107.575,949 135.657,952 258.964,953 135.657,956 40.37,957 27.352,958 39.853,960 258.964,961 135.657,962 107.575,965 258.964,966 22.945,967 84.63,969 135.657,970 258.964,971 135.657,972 107.575,973 0.576,974 0.338,975 0.162,976 0.081,977 11,978 8,979 0.149,980 7,982 1,983 3.329,984 161.579,986 6,987 104.042,993 19.022,994 8.566,995 5.276,997 135.657,998 1.354,1003 0.186,1005 85.367,1006 502.196,1007 30,1013 23.188,1015 5.784,1017 0.797,1020 46.912,1021 52.82,1022 0.239,1023 0.628,1024 0.843,1025 0.904,1026 0.912,1027 0.912,1028 4.659,1029 0.589,1030 5.509,1031 2.213,1032 4.143,1033 4.644,1034 1.647,1035 6.297,1036 4.137,1037 5.878,1038 0.438,1039 7.077,1040 1.219,1041 3.892,1042 4.59,1044 7.213,1045 3.867,1046 7.187,1047 0.282,1048 8.743,1049 0.926,1050 5.727,1051 6.804,1052 2.28,1053 10.27,1054 5.709,1055 8.531,1056 -0.204,1057 10.462,1058 0.401,1059 6.217,1060 7.515,1062 11.96,1063 6.173,1064 9.903,1065 -0.353,1066 12.215,1067 -0.337,1068 7.586,1069 9.265,1070 2.964,1071 14.599,1072 7.546,1073 11.296,1074 -0.548,1075 13.993,1076 -0.894,1077 8.414,1078 10.34,1080 16.647,1081 8.345,1082 12.706,1083 -1,1084 15.791,1085 -1.249,1086 9.62,1087 11.912,1088 3.676,1089 19.134,1090 9.547,1091 3.163,1092 -1.096,1093 17.605,1094 -2.412,1095 10.611,1096 13.175,1098 21.351,1099 10.51,1100 2.572,1101 10.681,1102 19.432,1103 -2.774,1104 11.763,1105 14.674,1106 4.402,1107 23.774,1108 11.651,1109 2.461,1110 7.752,1111 21.271,1112 4.267,1113 12.833,1114 16.031,1116 26.07,1117 12.696,1118 2.229,1119 6.836,1120 23.119,1121 3.275,1122 13.971,1123 17.5,1124 5.135,1125 28.465,1126 13.818,1127 1.991,1128 6.361,1129 24.976,1130 3.107,1131 15.079,1132 18.904,1134 30.799,1135 14.904,1136 1.841,1137 5.471,1138 26.839,1139 2.835,1140 16.217,1141 20.362,1142 5.871,1143 33.179,1144 16.024,1145 0.984,1146 4.758,1147 28.709,1148 2.557,1149 17.344,1150 21.789,1152 35.531,1153 17.131,1154 5275,1155 8897,1156 13.641,1157 29.955,1158 33.987,1159 35.886,1160 36.528,1161 33.136,1162 33.101,1163 42.154,1164 2.894,1165 93.233,1166 32.994,1167 5.331,1168 5.577,1169 6.25,1170 5.148,1171 5.163,1172 7.267,1173 2.894,1174 18.188,1175 5.113,1176 17.092,1177 1.478,1178 1.56,1179 1.588,1180 1.441,1181 1.439,1182 1.833,1183 0.126,1184 4.054,1185 1.435,1186 3.993,1187 4.005,1188 3.952,1189 3.921,1190 7.453,1191 3.926,1192 3.832,1193 3.873,1194 3.736,1195 3.753,1196 7.427,1197 3.743,1198 3.611,1199 3.653,1200 3.498,1201 3.483,1202 6.489,1203 3.478,1204 3.397,1205 3.456,1206 3.248,1207 3.256,1208 6.445,1209 3.245,1210 3.286,1211 3.313,1212 3.192,1213 3.084,1214 4.542,1215 3.099,1216 3.135,1217 3.235,1218 2.948,1219 2.942,1220 4.408,1221 2.933,1222 3.085,1223 3.148,1224 2.822,1225 2.888,1226 4.152,1227 2.862,1228 2.868,1229 2.954,1230 2.683,1231 2.644,1232 3.895,1233 2.625,1234 0.197,1235 0.156,1236 0.291,1237 0.18,1238 0.138,1239 4.535,1240 0.186,1241 3.577,1242 0.063,1243 6.698,1244 0.464,1245 4.148,1246 0.135,1247 3.163,1248 4.267,1249 1.447,1250 10.681,1251 3.113,1252 1.946,1253 1.935,1254 2.045,1255 2.039,1256 1.28,1257 2.036,1258 1.836,1259 1.797,1260 2.013,1261 1.953,1262 1.215,1263 1.979,1264 1.604,1265 1.559,1266 1.827,1267 1.765,1268 0.939,1269 1.784,1270 1.401,1271 1.345,1272 1.667,1273 1.591,1274 0.81,1275 1.619,1276 1.229,1277 1.183,1278 1.587,1279 1.465,1280 0.679,1281 1.496,1282 1.165,1283 1.071,1284 1.491,1285 1.426,1286 0.531,1287 1.454,1288 1.059,1289 1.009,1290 1.295,1291 1.31,1292 0.363,1293 1.308,1294 0.872,1295 0.784,1296 1.223,1297 1.149,1298 0.236,1299 1.183,1300 3.85,1302 5.142,1304 6.619,1306 8.19,1308 9.817,1310 7.635,1314 19.631,1315 0.978,1320 0.447,1326 28.181,1327 62.316,1328 163.969,1329 220.046,1330 236.046,1331 238.046,1332 238.046,1333 99.088,1334 6.1,1335 74.6,1336 74.6,1337 6,1338 12.021,1339 3.459,1340 3,1341 62.638,1342 85,1343 90,1344 0.365,1345 181.125,1346 330.68,1347 433.704,1348 2805,1350 17.569,1351 0.764,1352 0.613,1353 17.569,1354 14.089,1355 10.794,1356 0.469,1357 0.334,1358 7.625,1359 10.509,1360 7.236,1361 6.167,1362 10.794,1363 7.686,1364 9.536,1365 0.308,1366 0.188,1367 9.536,1368 5.833,1369 7.513,1370 0.203,1371 0.104,1372 7.513,1373 3.857,1374 5.356,1375 0.128,1376 0.052,1377 5.356,1378 2.197,1379 3.695,1380 0.08,1381 0.029,1382 3.695,1383 1.327,1384 0.577,1385 67.204,1386 0.271,1387 22.807,1388 0.981,1389 108,1390 339.77,1391 115.75,1392 327.727,1393 421.35,1394 300,1395 122,1396 283.424,1397 129.309,1398 292.167,1399 415.09,1400 271,1401 4.561}
{0 CHEMBL1457503,1 1.833,2 12.794,3 5.102,4 26.029,5 118.267,6 9.146,7 0.684,8 4.091,9 4.196,10 3.819,11 3.602,12 5.349,13 3.644,14 4.613,15 4.751,16 4.271,17 3.97,18 6.257,19 4.016,20 4.749,21 4.92,22 4.217,23 4.035,24 6.052,25 4.048,26 4.85,27 5.034,28 4.293,29 4.045,30 6.298,31 4.07,32 4.842,33 5.048,34 4.287,35 3.99,36 6.25,37 4.034,38 4.749,39 4.923,40 4.243,41 3.919,42 6.233,43 3.973,44 4.751,45 4.93,46 4.187,47 3.829,48 6.472,49 3.881,50 4.545,51 4.761,52 3.753,53 3.637,54 5.866,55 3.649,56 0.262,57 1.027,58 6.285,59 4.27,60 26.858,61 4.274,62 1.01,63 1.947,64 14.389,65 6.878,66 140.224,67 7.065,68 0.812,69 1.728,70 17.907,71 7.712,72 55.413,73 8.674,74 1.073,75 1.962,76 22.267,77 8.944,78 111.637,79 9.991,80 1.013,81 1.972,82 24.792,83 8.734,84 96.253,85 10.306,86 1.155,87 1.714,88 20.532,89 7.926,90 108.559,91 8.346,92 1.406,93 1.776,94 21.207,95 7.572,96 175.143,97 7.726,98 0.903,99 1.308,100 20.005,101 6.624,102 110.41,103 6.765,104 27,105 56,106 0.3,107 0.664,108 0.802,109 0.872,110 0.885,111 0.892,112 3.561,113 0.804,114 -5.33,115 -5.22,116 -4.88,120 45.1,121 1,126 1,133 1,143 8,144 3,146 1,147 1,148 1,152 2,153 2,159 1,162 1,167 2,174 8,176 1,177 11,180 2,182 2,185 8,188 2,189 6,192 1,197 6,200 4,201 8,204 3,209 5,213 2,214 7,219 1,222 3,226 4,227 7,232 3,235 4,239 4,240 3,243 1,245 4,247 2,252 4,257 2,260 3,263 1,264 9,271 4,274 2120,275 22.643,276 22.643,277 22.643,278 22.643,279 22.643,280 19.511,281 21.214,282 13.086,283 23.162,284 18.793,285 18.793,286 18.793,287 18.793,288 18.793,289 14.017,290 30.951,291 6.258,292 19.738,293 3.839,294 1.616,295 0.775,296 0.343,297 0.265,298 0.226,299 4.261,306 1,307 1,308 957,309 4,312 262.806,313 214.218,316 144.477,320 1.995,321 56.056,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 77.5,333 435,334 4.762,335 4.471,336 7.312,337 4.348,338 3.449,339 4.671,340 3.825,341 12.61,342 3.164,343 4.29,344 3.612,345 6.644,346 3.966,347 3.045,348 3.85,349 1.058,350 10.521,351 2.836,352 4.221,353 3.095,354 6.129,355 3.851,356 2.876,357 3.759,358 0.522,359 9.015,360 2.802,361 4.143,362 3.024,363 6.069,364 3.773,365 2.789,366 3.668,368 8.804,369 2.691,370 4.039,371 2.73,372 5.764,373 3.598,374 2.64,375 3.56,377 7.919,378 2.51,379 3.642,380 2.673,381 5.557,382 3.235,383 2.286,384 2.893,386 7.235,387 2.124,388 3.285,389 2.116,390 4.965,391 2.839,392 1.893,393 2.648,395 5.707,396 1.787,397 3.187,398 1.986,399 4.691,400 2.755,401 1.782,402 2.387,404 4.718,405 1.726,406 2.942,407 1.782,408 4.544,409 2.462,410 1.508,411 2.081,413 4.547,414 1.42,415 2.867,416 1.583,417 4.125,418 2.414,419 1.414,420 2.02,422 3.628,423 1.414,424 2.786,425 1.459,426 3.879,427 2.339,428 1.362,429 1.899,431 2.969,432 1.317,433 2.621,434 1.23,435 3.765,436 2.091,437 1.134,438 1.651,440 2.81,441 1.08,442 2.365,443 1.037,444 3.596,445 1.875,446 0.886,447 1.288,449 2.33,450 0.872,451 2.211,452 0.808,453 3.28,454 1.706,455 0.733,456 1.073,458 1.763,459 0.711,460 2.118,461 0.72,462 3.252,463 1.618,464 0.618,465 0.927,467 1.579,468 0.618,469 15.424,470 0.454,471 1.052,472 0.031,473 47,474 1.382,475 24,476 0.706,477 23,478 0.676,479 26.331,480 0.774,481 36.176,482 0.709,483 41.138,484 1.21,485 9.714,486 0.286,487 6.578,488 0.193,489 0.11,490 0.032,491 0.344,493 3,496 0.61,497 0.998,498 0.578,499 1.025,500 0.578,501 0.863,502 0.558,503 0.88,504 0.647,505 0.962,506 0.4,507 0.877,508 0.673,509 0.839,510 0.882,511 1.022,512 0.628,513 1.038,514 0.843,515 0.972,516 0.906,517 1.038,518 0.918,519 1.022,520 0.872,521 1.022,522 0.723,523 0.919,524 0.877,525 0.798,526 0.928,527 1.076,528 0.853,529 1,530 0.999,531 0.919,532 1.023,533 1.079,534 1.053,535 1.017,536 1.09,537 1.041,538 1.411,539 1.02,540 1.287,541 0.899,542 1.431,543 0.968,544 8,545 0.23,546 4.222,547 2.569,548 2.174,549 1.709,550 1.069,551 0.454,552 0.39,553 0.245,554 17465,555 57925,556 2.102,557 33.3,558 3,559 10,560 2,561 1,562 1,567 1.76,568 1.952,569 3.581,570 -0.275,575 93.5,576 1.833,577 4.056,578 4.898,579 5.329,580 5.408,581 5.447,582 2.996,583 4.83,584 5.058,585 3.815,586 2140.17,587 8.871,588 32777.9,593 289.294,594 1.583,595 5.007,596 0.211,597 0.007,598 0.075,599 0.048,600 0.04,601 0.031,602 0.021,603 0.01,604 0.012,605 0.007,606 0.462,607 0.17,608 0.75,609 0.706,610 182.29,611 -0.02,612 -0.075,613 0.041,614 -0.068,615 -0.089,616 -0.015,617 0.291,618 0.137,619 0.133,620 -0.012,621 0.379,622 -0.012,623 0.035,624 -0.005,625 -0.045,626 -0.098,627 -0.004,628 -0.112,629 0.076,630 -0.021,631 0.032,632 -0.086,633 0.019,634 -0.073,635 0.047,636 -0.103,637 0.29,638 0.035,639 0.043,640 0.199,641 0.105,642 -0.092,643 0.102,644 -0.05,646 0.006,647 0.187,648 -0.004,649 -0.041,650 -0.077,651 0.227,652 -0.143,653 -0.311,654 -0.001,655 -0.218,656 0.075,657 -0.255,658 0.027,659 5.976,660 5.911,661 0.735,662 38.18,663 1.039,664 1.144,665 4.104,666 16.847,667 0.688,668 3.664,669 4.043,670 4.317,671 4.615,672 4.804,673 4.977,674 5.17,675 5.283,676 5.342,677 5.394,678 7.651,679 0.694,680 466.46,681 3.664,682 5.242,683 6.107,684 7.013,685 7.898,686 8.808,687 9.704,688 10.616,689 11.518,690 12.432,691 11.8,698 1,699 2,701 3,708 1,709 11,710 3,712 1,714 7,715 1,716 26,723 1,738 51,739 27,740 1,741 38,743 55,744 23,745 19,746 2,747 4,748 1,752 5,753 6,759 2,765 1,768 20,769 3,772 1,778 1,782 1,787 3,788 1,789 17,790 9,791 1,792 11,797 6,803 0.8,804 2,814 2,817 1,822 3,823 2,826 1,855 4,859 1,861 3,862 34,869 1,871 1,876 1,885 3,886 3.9,889 1,891 1,893 17.417,894 9.679,895 7.167,896 2.872,898 4.591,899 1.55,900 1.032,901 5.562,902 12.935,903 3.97,904 4.637,905 5.265,906 5.906,907 6.365,908 6.807,909 7.3,910 7.728,911 8.031,912 8.349,913 1,914 53,915 13.218,917 6.408,918 8.199,919 22.919,921 18.859,924 2.699,925 91.75,929 188.338,930 153.602,931 71.063,933 34.652,934 44.88,936 153.602,937 222.99,938 115.943,939 8.825,940 20.116,941 96.597,942 93.448,943 78.689,944 34.076,945 153.024,946 7.76,947 188.338,948 224.664,949 79.533,952 188.338,953 79.533,956 53.161,957 121.392,958 50.112,960 233.218,961 105.715,962 153.602,965 196.097,966 31.373,967 117.41,968 18.011,969 129.644,970 188.338,971 150.595,972 153.602,973 0.597,974 0.342,975 0.185,976 0.096,977 29,978 13,979 0.091,980 5,981 1,982 1.08,983 4.434,984 331.181,985 0.08,986 25,987 166.219,993 22.084,994 8.563,995 4.415,996 -0.252,997 147.655,998 17.362,999 12.297,1001 5.196,1003 1.278,1004 1.656,1005 18.011,1006 492.535,1007 52,1013 12.911,1017 -0.687,1020 52.989,1021 58.334,1022 0.323,1023 0.715,1024 0.863,1025 0.939,1026 0.953,1027 0.96,1028 5.228,1029 1.782,1030 6.138,1031 5.707,1032 4.727,1033 5.325,1034 3.162,1035 7.009,1036 4.633,1037 6.478,1038 1.508,1039 7.739,1040 4.718,1041 4.511,1042 5.223,1043 3.903,1044 8.148,1045 4.285,1046 7.815,1047 1.414,1048 9.449,1049 4.547,1050 6.418,1051 7.596,1052 5.432,1053 11.217,1054 6.207,1055 9.191,1056 1.362,1057 11.224,1058 3.628,1059 7.013,1060 8.334,1061 6.69,1062 13.172,1063 6.671,1064 10.598,1065 1.134,1066 13.041,1067 2.969,1068 8.431,1069 10.169,1070 8.059,1071 15.826,1072 8.074,1073 12.027,1074 0.886,1075 14.889,1076 2.81,1077 9.364,1078 11.301,1079 9.388,1080 18.103,1081 8.89,1082 13.474,1083 0.733,1084 16.758,1085 2.33,1086 10.619,1087 12.927,1088 10.734,1089 20.644,1090 10.1,1091 3.449,1092 0.618,1093 18.645,1094 1.763,1095 11.698,1096 14.254,1097 12.074,1098 23.057,1099 11.072,1100 3.045,1101 12.61,1102 20.545,1103 1.579,1104 12.903,1105 15.801,1106 13.416,1107 25.572,1108 12.211,1109 2.876,1110 10.521,1111 22.458,1112 4.671,1113 14.048,1114 17.226,1115 14.758,1116 28.045,1117 13.256,1118 2.789,1119 9.015,1120 24.38,1121 3.85,1122 15.244,1123 18.749,1124 16.1,1125 30.558,1126 14.372,1127 2.64,1128 8.804,1129 26.311,1130 3.759,1131 16.422,1132 20.225,1133 17.441,1134 33.059,1135 15.453,1136 2.286,1137 7.919,1138 28.248,1139 3.668,1140 17.621,1141 21.744,1142 18.783,1143 35.577,1144 16.565,1145 1.893,1146 7.235,1147 30.193,1148 3.56,1149 18.818,1150 23.247,1151 20.124,1152 38.091,1153 17.665,1154 16305,1155 30103,1156 25.255,1157 35.086,1158 59.368,1159 58.694,1160 58.83,1161 58.618,1162 58.275,1163 78.77,1164 10.81,1165 175.733,1166 55.538,1167 5.607,1168 6.471,1169 6.999,1170 5.423,1171 5.449,1172 7.671,1173 5.335,1174 20.509,1175 5.164,1176 17.295,1177 1.562,1178 1.545,1179 1.548,1180 1.543,1181 1.534,1182 2.073,1183 0.284,1184 4.625,1185 1.462,1186 4.146,1187 4.192,1188 4.135,1189 3.969,1190 8.513,1191 4.003,1192 3.996,1193 4.046,1194 3.943,1195 3.894,1196 7.999,1197 3.896,1198 3.855,1199 3.883,1200 3.807,1201 3.695,1202 7.999,1203 3.72,1204 3.818,1205 3.849,1206 3.764,1207 3.649,1208 7.429,1209 3.675,1210 3.518,1211 3.548,1212 3.519,1213 3.331,1214 5.155,1215 3.359,1216 3.23,1217 3.289,1218 3.216,1219 3.037,1220 4.99,1221 3.021,1222 3.171,1223 3.257,1224 3.055,1225 2.972,1226 4.947,1227 2.969,1228 3.122,1229 3.183,1230 2.971,1231 2.861,1232 4.714,1233 2.922,1234 0.125,1235 0.118,1236 0.192,1237 0.114,1238 0.091,1239 4.762,1240 0.123,1241 4.471,1242 0.101,1243 7.312,1244 0.332,1245 4.348,1246 0.083,1247 3.449,1248 4.671,1249 3.825,1250 12.61,1251 3.164,1252 1.94,1253 1.911,1254 2.064,1255 2.074,1256 1.219,1257 2.044,1258 1.88,1259 1.846,1260 1.91,1261 2.032,1262 1.042,1263 2.024,1264 1.581,1265 1.55,1266 1.69,1267 1.79,1268 0.796,1269 1.748,1270 1.476,1271 1.425,1272 1.639,1273 1.715,1274 0.717,1275 1.698,1276 1.461,1277 1.413,1278 1.614,1279 1.593,1280 0.658,1281 1.608,1282 1.33,1283 1.271,1284 1.552,1285 1.578,1286 0.602,1287 1.522,1288 1.249,1289 1.242,1290 1.467,1291 1.489,1292 0.558,1293 1.469,1294 1.207,1295 1.126,1296 1.336,1297 1.418,1298 0.317,1299 1.46,1300 4.344,1302 5.707,1303 3.434,1304 7.242,1305 5.687,1306 8.86,1307 7.695,1308 10.527,1310 1.992,1312 41.023,1315 0.502,1317 2.601,1322 -4.726,1326 35.395,1327 93.5,1328 206.875,1329 249.784,1330 271.784,1331 275.784,1332 277.784,1333 73.68,1334 8.345,1335 90.25,1336 90.25,1337 27,1338 12.947,1339 4.807,1340 3.907,1341 50.072,1342 155,1343 162,1344 0.155,1345 211.651,1346 360.27,1347 508.189,1348 54761,1349 5.9,1350 23.872,1351 0.702,1352 0.522,1353 21.372,1354 17.744,1355 16.292,1356 0.429,1357 0.268,1358 9.958,1359 15.363,1360 9.81,1361 8.077,1362 15.081,1363 10.186,1364 15.833,1365 0.283,1366 0.135,1367 13.838,1368 7.575,1369 12.772,1370 0.173,1371 0.071,1372 11.991,1373 5.256,1374 10.921,1375 0.109,1376 0.035,1377 10.284,1378 3.538,1379 8.257,1380 0.068,1381 0.018,1382 7.485,1383 2.189,1384 0.246,1385 104.315,1386 0.199,1387 31.459,1388 0.42,1389 188,1390 782.363,1391 223.597,1392 671.348,1393 897.1,1394 624,1395 224,1396 659.403,1397 255.902,1398 641.053,1399 961.14,1400 602,1401 4.719}
{0 CHEMBL1457803,1 1.548,2 11.393,3 3.152,4 9.934,5 106.662,6 7.946,7 0.548,8 3.963,9 4.071,10 3.583,11 3.538,12 5.165,13 3.53,14 4.444,15 4.588,16 3.975,17 3.913,18 5.636,19 3.898,20 4.671,21 4.836,22 4.033,23 4.027,24 5.902,25 3.999,26 4.761,27 4.95,28 3.958,29 4.07,30 5.982,31 4.004,32 4.756,33 4.947,34 3.96,35 4.073,36 5.923,37 3.999,38 4.823,39 5.05,40 3.886,41 3.968,42 5.997,43 3.891,44 4.62,45 4.838,46 3.672,47 3.75,48 5.834,49 3.692,50 4.447,51 4.627,52 3.557,53 3.632,54 5.73,55 3.592,56 0.078,57 0.672,58 8.367,59 4.076,60 9.78,61 4.876,62 0.175,63 1.074,64 14.94,65 6.547,66 17.281,67 8.361,68 0.344,69 1.302,70 20.416,71 7.875,72 33.197,73 9.732,74 0.397,75 1.369,76 23.767,77 9.428,78 70.289,79 11.944,80 0.241,81 1.349,82 23.338,83 9.96,84 36.411,85 12.916,86 0.482,87 1.392,88 28.216,89 10.412,90 63.637,91 13.643,92 0.39,93 1.112,94 23.179,95 8.084,96 67.634,97 10.046,98 0.418,99 0.942,100 18.579,101 6.332,102 70.22,103 7.132,104 26,105 45,106 0.26,107 0.588,108 0.693,109 0.798,110 0.843,111 0.843,112 3.375,113 0.857,114 -4.35,115 -4.29,116 -4.04,120 46.8,121 2,136 1,137 1,143 10,144 1,145 3,153 2,159 2,170 1,174 9,176 1,177 11,180 1,182 3,185 10,188 1,189 8,192 1,194 5,197 8,200 1,201 7,206 3,209 13,214 7,217 1,219 2,222 15,226 3,227 6,230 1,232 1,235 9,240 4,245 5,247 7,252 8,257 3,260 5,264 8,269 3,271 5,274 1164,275 18.706,276 18.706,277 18.706,278 18.706,279 18.706,280 16.173,281 20.926,282 10.795,283 18.916,284 15.251,285 15.251,286 15.251,287 15.251,288 15.251,289 11.399,290 22.901,291 5.113,292 15.587,293 4.007,294 2.059,295 1.436,296 0.814,297 0.543,298 0.543,299 4.065,305 1,306 1,307 1,308 694,309 2.55,312 159.584,313 191.488,320 1.663,321 29.62,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.5,333 319,334 4.619,335 3.868,336 6.869,337 4.24,338 3.267,339 4.355,340 1.058,341 11.365,342 3.194,343 4.446,344 3.37,345 6.764,346 4.134,347 3.168,348 3.858,349 0.98,350 10.987,351 3.043,352 3.98,353 3.28,354 5.976,355 3.573,356 2.591,357 3.547,359 8.38,360 2.538,361 3.889,362 2.707,363 5.693,364 3.464,365 2.481,366 3.406,368 7.477,369 2.434,370 3.498,371 2.673,372 5.127,373 3.117,374 2.152,375 2.809,377 6.124,378 2.066,379 3.268,380 2.375,381 4.903,382 2.835,383 1.826,384 2.441,386 5.171,387 1.838,388 3.167,389 2.079,390 4.853,391 2.789,392 1.799,393 2.362,395 4.981,396 1.767,397 3.001,398 1.751,399 4.54,400 2.595,401 1.59,402 2.111,404 4.346,405 1.588,406 2.768,407 1.674,408 4.372,409 2.329,410 1.347,411 1.837,413 3.752,414 1.318,415 2.5,416 1.228,417 3.574,418 2.037,419 1.052,420 1.5,422 2.693,423 1.035,424 2.5,425 1.081,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.474,434 1,435 3.247,436 2,437 1,438 1.397,440 2.136,441 1,442 1.91,443 1,444 3.237,445 1.357,446 0.32,447 0.453,449 0.836,450 0.326,451 1.299,452 0.51,453 2.754,454 1.019,455 0.033,456 0.041,458 0.076,459 0.032,460 0.861,461 0.276,462 2.524,463 0.531,464 -0.442,465 -0.544,467 -1.053,468 -0.419,469 13.2,470 0.471,471 0.806,472 0.029,473 39.25,474 1.402,475 21.5,476 0.768,477 17.75,478 0.634,479 21.096,480 0.753,481 28.8,482 0.613,483 30.858,484 1.102,485 8.047,486 0.287,487 5.405,488 0.193,489 0.152,491 0.402,496 0.729,497 1.106,498 0.733,499 0.931,500 0.664,501 0.849,502 0.59,503 1.266,504 0.695,505 0.999,506 0.524,507 0.888,508 1.043,509 1.065,510 1.004,511 0.981,512 0.899,513 0.97,514 0.943,515 1.021,516 1.063,517 1.029,518 0.855,519 1.054,520 0.732,521 1.135,522 0.952,523 1.163,524 0.81,525 1.112,526 0.969,527 0.921,528 0.939,529 0.99,530 1.18,531 0.971,532 1.465,533 0.919,534 1.074,535 0.92,536 1.532,537 0.925,538 1.965,539 0.947,540 1.346,541 0.891,542 1.932,543 0.991,544 5.5,545 0.161,546 3.778,547 3.243,548 1.758,549 1.116,550 0.838,551 0.456,552 0.298,553 0.24,554 9705,555 27369,556 2.072,557 40.4,559 11,562 2,563 6,567 1.711,568 1.909,569 3.439,570 0.212,571 1,572 1,575 72.738,576 1.548,577 3.495,578 4.119,579 4.74,580 5.012,581 5.012,582 2.901,583 4.307,584 4.778,585 3.588,586 1356.23,587 8.312,588 17522.6,590 1,592 1,593 261.066,594 1.497,595 4.723,596 0.177,597 0.008,598 0.084,599 0.071,600 0.042,601 0.027,602 0.023,603 0.015,604 0.011,605 0.01,606 0.467,607 0.33,608 1,609 0.616,610 139.833,611 -0.025,612 0.004,613 0.031,614 0.03,615 -0.1,616 0.034,617 0.131,618 -0.177,619 0.137,620 -0.045,621 0.059,622 0.024,623 -0.058,624 0.016,625 -0.101,626 -0.047,627 -0.022,628 -0.07,629 -0.035,630 -0.016,631 -0.125,632 -0.056,633 0.056,634 -0.093,635 0.037,636 -0.168,637 -0.025,638 -0.165,639 0.017,640 -0.118,641 0.081,642 0.024,643 0.101,644 -0.007,645 -0.03,646 0.035,647 -0.192,648 0.028,649 -0.017,650 0.05,651 -0.131,652 0.052,653 -0.421,654 0.039,655 -0.317,656 0.053,657 -0.323,658 -0.085,659 2.094,660 5.771,661 0.786,662 25.684,663 1.008,664 1.116,665 3.123,666 9.753,667 0.691,668 3.466,669 3.829,670 4.143,671 4.431,672 4.605,673 4.644,674 4.812,675 4.913,676 4.963,677 5.024,678 6.453,679 0.669,680 373.44,681 3.466,682 5.03,683 5.905,684 6.806,685 7.698,686 8.604,687 9.504,688 10.412,689 11.317,690 12.227,691 6.4,698 2,699 1,709 10,714 6,715 1,716 17,734 1,738 47,739 20,740 2,741 31,743 50,744 22,745 16,746 3,747 9,748 4,752 4,753 4,759 2,768 20,769 2,772 3,778 2,780 1,782 3,785 1,786 1,789 19,790 5,791 2,792 6,797 3,801 1,803 1,804 3,818 1,822 2,823 2,845 1,846 1,855 4,859 2,862 28,868 1,871 1,875 1,886 6.4,888 1,889 2,893 14.667,894 9.1,895 6.056,896 2.683,898 3.487,899 1.461,900 0.993,901 4.632,902 11.052,903 3.773,904 4.398,905 5,906 5.565,907 6.042,908 6.292,909 6.739,910 7.132,911 7.416,912 7.723,913 0.875,914 46,915 10.359,917 4.516,918 7.911,919 19.375,921 15.95,924 2.411,925 67.5,928 1,929 200.109,930 148.697,931 22.789,933 92.973,936 148.697,937 293.082,938 22.789,939 17.65,940 20.89,941 104.239,942 102.382,943 13.784,944 5.513,945 200.109,947 200.109,948 171.486,949 92.973,952 200.109,953 92.973,956 40.44,957 121.57,958 9.476,960 200.109,961 115.762,962 148.697,965 200.109,966 26.807,967 126.79,968 17.888,969 92.973,970 200.109,971 115.762,972 148.697,973 0.593,974 0.358,975 0.197,976 0.105,977 23,978 11,979 0.06,980 3,982 1,983 3.898,984 250.794,986 22,987 126.606,993 18.231,994 7.114,995 3.296,997 113.863,998 17.796,1003 4.349,1004 2.012,1005 60.572,1006 464.568,1007 42.5,1013 25.178,1015 1.625,1017 -0.719,1020 47.356,1021 52.445,1022 0.279,1023 0.629,1024 0.742,1025 0.853,1026 0.902,1027 0.902,1028 5.026,1029 1.59,1030 5.916,1031 4.981,1032 4.511,1033 5.085,1034 1.641,1035 6.779,1036 4.468,1037 6.258,1038 1.347,1039 7.513,1040 4.346,1041 4.205,1042 4.924,1044 7.779,1045 4.121,1046 7.583,1047 1.052,1048 9.21,1049 3.752,1050 6.155,1051 7.285,1052 1.677,1053 10.923,1054 6.055,1055 8.945,1056 1,1057 10.967,1058 2.693,1059 6.673,1060 7.934,1062 12.77,1063 6.528,1064 10.338,1065 1,1066 12.761,1067 2.275,1068 8.12,1069 9.775,1070 1.719,1071 15.437,1072 7.958,1073 11.755,1074 0.32,1075 14.583,1076 2.136,1077 9.006,1078 10.81,1080 17.623,1081 8.802,1082 13.191,1083 0.033,1084 16.424,1085 0.836,1086 10.268,1087 12.431,1088 1.766,1089 20.128,1090 10.043,1091 3.267,1092 -0.442,1093 18.281,1094 0.076,1095 11.314,1096 13.663,1098 22.451,1099 11.052,1100 3.168,1101 11.365,1102 20.149,1103 -1.053,1104 12.51,1105 15.185,1106 1.817,1107 24.899,1108 12.224,1109 2.591,1110 10.987,1111 22.027,1112 4.355,1113 13.626,1114 16.52,1116 27.276,1117 13.307,1118 2.481,1119 8.38,1120 23.912,1121 3.858,1122 14.8,1123 17.999,1124 1.874,1125 29.704,1126 14.455,1127 2.152,1128 7.477,1129 25.804,1130 3.547,1131 15.946,1132 19.39,1134 32.104,1135 15.57,1136 1.826,1137 6.124,1138 27.701,1139 3.406,1140 17.114,1141 20.852,1142 1.935,1143 34.525,1144 16.713,1145 1.799,1146 5.171,1147 29.601,1148 2.809,1149 18.273,1150 22.273,1152 36.935,1153 17.843,1154 9239,1155 15656,1156 20.403,1157 32.472,1158 48.391,1159 49.406,1160 49.653,1161 47.339,1162 47.249,1163 63.234,1164 4.076,1165 141.196,1166 46.358,1167 5.507,1168 5.868,1169 6.671,1170 5.266,1171 5.267,1172 7.355,1173 2.117,1174 18.698,1175 5.194,1176 14.918,1177 1.561,1178 1.594,1179 1.602,1180 1.527,1181 1.524,1182 2.04,1183 0.131,1184 4.555,1185 1.495,1186 4.093,1187 4.127,1188 4.056,1189 3.987,1190 7.447,1191 3.999,1192 3.936,1193 3.972,1194 3.892,1195 3.835,1196 7.41,1197 3.839,1198 3.801,1199 3.824,1200 3.739,1201 3.731,1202 6.471,1203 3.73,1204 3.677,1205 3.706,1206 3.625,1207 3.515,1208 4.835,1209 3.542,1210 3.203,1211 3.296,1212 3.001,1213 3.036,1214 4.756,1215 3.011,1216 3.035,1217 3.109,1218 2.927,1219 2.85,1220 4.502,1221 2.86,1222 2.934,1223 2.981,1224 2.898,1225 2.735,1226 4.189,1227 2.741,1228 2.922,1229 2.935,1230 2.779,1231 2.735,1232 3.893,1233 2.715,1234 0.149,1235 0.125,1236 0.222,1237 0.137,1238 0.105,1239 4.619,1240 0.14,1241 3.868,1242 0.034,1243 6.869,1244 0.367,1245 4.24,1246 0.103,1247 3.267,1248 4.355,1249 1.058,1250 11.365,1251 3.194,1252 1.91,1253 1.882,1254 2.008,1255 2.027,1256 1.12,1257 2.022,1258 1.886,1259 1.856,1260 2.006,1261 1.989,1262 1.07,1263 1.994,1264 1.731,1265 1.714,1266 1.843,1267 1.825,1268 0.982,1269 1.827,1270 1.54,1271 1.486,1272 1.75,1273 1.718,1274 0.847,1275 1.729,1276 1.371,1277 1.342,1278 1.565,1279 1.569,1280 0.636,1281 1.559,1282 1.185,1283 1.127,1284 1.304,1285 1.532,1286 0.313,1287 1.476,1288 0.902,1289 0.821,1290 1.2,1291 1.153,1292 0.261,1293 1.175,1294 0.886,1295 0.821,1296 1.181,1297 1.15,1298 0.218,1299 1.141,1300 4.143,1302 5.493,1303 3.045,1304 7.031,1305 5.533,1306 8.649,1307 7.695,1308 10.311,1310 3.882,1314 9.509,1317 2.611,1321 1.257,1326 31.423,1327 72.738,1328 164.283,1329 193.582,1330 222.801,1331 235.556,1332 235.556,1333 52.223,1334 7.566,1335 80.02,1336 80.02,1337 22,1338 12.743,1339 4.392,1340 3.644,1341 42.441,1342 109,1343 113,1344 0.193,1345 192.399,1346 337.35,1347 461.213,1348 19347,1350 19.836,1351 0.708,1352 0.554,1353 19.836,1354 15.509,1355 13.452,1356 0.434,1357 0.286,1358 8.757,1359 13.004,1360 8.49,1361 7.075,1362 13.452,1363 8.86,1364 12.463,1365 0.277,1366 0.148,1367 12.463,1368 6.653,1369 10.843,1370 0.175,1371 0.077,1372 10.843,1373 4.784,1374 9.192,1375 0.111,1376 0.041,1377 9.192,1378 3.405,1379 7.169,1380 0.072,1381 0.022,1382 7.169,1383 2.152,1384 0.302,1385 83.892,1386 0.221,1387 26.598,1388 0.536,1389 152,1390 449.244,1391 166.415,1392 438.744,1393 603.25,1394 408,1395 183,1396 455.388,1397 198.194,1398 460.706,1399 676.47,1400 434,1401 5.318}
{0 CHEMBL1457961,1 1.444,2 10.542,3 3.363,4 11.312,5 99.49,6 6.76,7 0.615,8 3.948,9 4.084,10 3.44,11 3.451,12 4.975,13 3.418,14 4.493,15 4.7,16 3.746,17 3.817,18 5.42,19 3.759,20 4.644,21 4.861,22 3.818,23 3.957,24 5.527,25 3.875,26 4.786,27 5.023,28 3.779,29 4.008,30 5.645,31 3.886,32 4.866,33 5.147,34 3.674,35 3.949,36 5.69,37 3.816,38 4.768,39 5.04,40 3.537,41 3.861,42 5.587,43 3.719,44 4.668,45 4.952,46 3.426,47 3.759,48 5.483,49 3.612,50 4.504,51 4.779,52 3.345,53 3.683,54 5.29,55 3.529,56 0.039,57 0.713,58 11.017,59 4.239,60 9.028,61 6.117,62 0.279,63 1.109,64 20.351,65 6.843,66 21.473,67 9.972,68 0.232,69 1.295,70 23.411,71 7.947,72 18.945,73 12.08,74 0.251,75 1.439,76 27.161,77 9.363,78 24.779,79 14.172,80 0.37,81 1.425,82 30.514,83 9.015,84 35.778,85 14.331,86 0.291,87 1.272,88 27.549,89 8.604,90 31.556,91 13.239,92 0.394,93 1.12,94 25.183,95 7.945,96 32.945,97 12.152,98 0.133,99 0.989,100 20.594,101 7.684,102 20.25,103 11.461,104 13,105 35,106 0.247,107 0.581,108 0.773,109 0.836,110 0.846,111 0.846,112 3.228,113 0.957,114 -4.76,115 -4.68,116 -4.39,120 39.6,121 2,122 1,125 1,126 3,143 5,144 3,148 1,149 1,153 1,162 1,174 9,176 2,177 5,180 1,182 2,185 10,188 1,189 3,194 2,197 7,200 1,201 4,204 2,206 3,209 2,213 1,214 5,219 3,222 2,227 5,232 1,235 4,239 1,240 4,243 1,247 6,252 5,260 6,264 5,271 5,274 846,275 16.527,276 16.527,277 16.527,278 16.527,279 16.527,280 14.501,281 17.373,282 10.108,283 17.021,284 12.794,285 12.794,286 12.794,287 12.794,288 12.794,289 9.802,290 20.419,291 4.728,292 13.483,293 4.141,294 2.179,295 1.055,296 0.688,297 0.631,298 0.631,299 3.912,305 1,306 1,307 1,308 535,309 3.082,312 50.943,313 142.955,316 96.938,320 1.67,321 13.215,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51,333 253,334 4.787,335 3.464,336 7.087,337 4.32,338 3.36,339 4.774,340 0.86,341 12.193,342 3.228,343 3.904,344 2.756,345 6.013,346 3.532,347 2.553,348 3.445,349 0.4,350 8.363,351 2.521,352 3.848,353 2.65,354 5.541,355 3.434,356 2.48,357 3.317,359 6.965,360 2.342,361 3.488,362 2.326,363 5.34,364 3.055,365 2.101,366 2.875,368 6.614,369 1.998,370 3.005,371 2.103,372 4.873,373 2.678,374 1.74,375 2.16,377 4.997,378 1.634,379 2.922,380 1.854,381 3.856,382 2.51,383 1.534,384 2.09,386 3.227,387 1.491,388 2.737,389 1.6,390 3.682,391 2.333,392 1.423,393 1.812,395 3.091,396 1.287,397 2.5,398 1.359,399 3.496,400 2.164,401 1.252,402 1.5,404 2.601,405 1.137,406 2.447,407 1.127,408 3.337,409 2,410 1,411 1.444,413 2.155,414 1,415 2.179,416 1,417 3.247,418 1.918,419 0.973,420 1.135,422 2.136,423 0.916,424 1.558,425 0.922,426 2.928,427 1.391,428 0.474,429 0.5,431 0.89,432 0.432,433 1.235,434 0.325,435 2.746,436 0.986,437 0.028,438 0.032,440 0.067,441 0.027,442 1.031,443 0.235,444 2.463,445 0.799,446 -0.135,447 -0.148,449 -0.246,450 -0.125,451 0.808,452 -0.276,453 2.248,454 0.43,455 -0.527,456 -0.655,458 -1.257,459 -0.501,460 0.649,461 -0.45,462 2.193,463 0.235,464 -0.687,465 -0.882,467 -1.574,468 -0.626,469 11.433,470 0.476,471 0.452,472 0.019,473 30.25,474 1.26,475 14.5,476 0.604,477 15.75,478 0.656,479 20.047,480 0.835,481 26.367,482 0.549,483 20.208,484 0.842,485 6.15,486 0.256,487 5.569,488 0.232,489 0.131,491 0.297,496 0.934,497 1.509,498 0.88,499 1.229,500 0.872,501 1.074,502 1.351,503 0.925,504 0.933,505 0.825,506 1.093,507 0.839,508 0.959,509 1.212,510 0.982,511 1.033,512 0.9,513 1.009,514 0.774,515 1.278,516 1.105,517 1.261,518 0.882,519 1.223,520 1.153,521 0.956,522 1.069,523 0.933,524 1.187,525 0.966,526 1.314,527 1.02,528 1.129,529 1.019,530 1.242,531 1.043,532 1.177,533 0.747,534 1.025,535 0.797,536 1.157,537 0.878,538 0.586,539 1.043,540 0.853,541 1.03,542 0.667,543 0.985,544 3,545 0.057,546 2.444,547 2.361,548 1.129,549 0.796,550 0.415,551 0.216,552 0.235,553 0.135,554 6285,555 14332,556 2.064,557 50,558 3,559 14,561 1,562 1,563 3,564 2,567 1.669,568 1.946,569 3.327,570 -0.342,571 1,572 1,575 69.328,576 1.444,577 3.406,578 4.53,579 4.897,580 4.954,581 4.954,582 2.892,583 3.804,584 4.55,585 3.492,586 963.78,587 7.858,588 11338.5,590 1,592 1,593 268.078,594 1.347,595 4.522,596 0.115,597 0.005,598 0.07,599 0.064,600 0.034,601 0.027,602 0.017,603 0.009,604 0.011,605 0.008,606 0.36,607 0.33,608 1,609 1.139,610 114.377,611 0.008,612 -0.273,613 0.07,614 -0.118,615 0.028,616 -0.032,617 -0.021,618 0.188,619 0.073,620 0.176,621 -0.011,622 0.133,623 -0.007,624 -0.104,625 -0.011,626 -0.02,627 -0.044,628 -0.019,629 0.064,630 -0.207,631 -0.143,632 -0.268,633 -0.012,634 -0.239,635 -0.069,636 0.045,637 -0.067,638 -0.017,639 -0.076,640 -0.031,641 -0.164,642 -0.043,643 -0.13,644 -0.077,645 -0.137,646 -0.093,647 -0.003,648 0.199,649 -0.02,650 0.141,651 -0.005,652 0.072,653 0.057,654 -0.109,655 0.09,656 -0.011,657 0.144,658 0.033,659 0.829,660 1.723,661 0.625,662 22.625,663 0.991,664 1.132,665 3.533,666 12.483,667 0.648,668 3.296,669 3.584,670 3.892,671 4.174,672 4.369,673 4.369,674 4.431,675 4.5,676 4.454,677 4.454,678 6.054,679 0.606,680 324.47,681 3.296,682 4.812,683 5.666,684 6.544,685 7.426,686 8.319,687 9.214,688 10.117,689 11.019,690 11.928,691 8.3,696 1,699 1,701 2,708 2,709 6,710 2,714 4,715 1,716 16,729 1,738 48,739 16,740 1,741 26,743 50,744 19,745 12,746 1,747 5,752 3,753 4,759 2,766 1,768 12,769 7,785 1,786 1,789 24,790 4,791 1,792 5,797 4,803 0.667,804 1,817 1,818 1,822 1,823 2,826 1,854 1,855 2,859 3,862 24,869 4,871 1,872 1,886 2.1,890 1,893 12.333,894 9.517,895 5.5,896 2.857,898 3.053,899 1.433,900 0.973,901 5.363,902 10.097,903 3.555,904 4.171,905 4.819,906 5.453,907 5.958,908 6.158,909 6.488,910 6.817,911 6.826,912 6.951,913 1,914 37,915 8.84,917 3.568,918 7.5,919 17.306,921 13.761,924 2,925 48,928 1,929 270.735,930 111.616,931 53.481,933 11,936 111.616,937 281.735,938 53.481,939 28.533,940 11.338,941 47.381,942 76.068,943 19.462,944 5.085,945 258.964,947 270.735,948 165.097,949 11,952 247.193,953 23.542,954 11,956 41.222,957 72.293,958 51.582,960 270.735,961 64.481,962 111.616,965 270.735,966 27.082,967 86.432,968 18.011,969 44.571,970 270.735,971 64.481,972 111.616,973 0.562,974 0.34,975 0.194,976 0.109,977 16,978 7,979 0.14,980 7,981 1,982 1.133,983 3.636,984 190.35,985 0.133,986 15,987 106.039,993 16.781,994 7.67,995 3.566,996 2.082,997 62.582,998 12.111,999 8.966,1003 4.672,1004 2.207,1005 18.011,1006 446.832,1007 34,1020 47.571,1021 54.355,1022 0.259,1023 0.61,1024 0.811,1025 0.877,1026 0.887,1027 0.887,1028 4.762,1029 1.252,1030 5.631,1031 3.091,1032 4.263,1033 4.856,1034 1.029,1035 6.463,1036 4.172,1037 5.964,1038 1,1039 7.198,1040 2.601,1041 3.761,1042 4.691,1044 7.452,1045 3.651,1046 7.276,1047 0.973,1048 8.88,1049 2.155,1050 5.849,1051 7.141,1052 0.763,1053 10.636,1054 5.684,1055 8.638,1056 0.474,1057 10.633,1058 2.136,1059 6.275,1060 7.917,1062 12.551,1063 6.085,1064 10.043,1065 0.028,1066 12.434,1067 0.89,1068 7.793,1069 9.812,1070 0.597,1071 15.263,1072 7.557,1073 11.48,1074 -0.135,1075 14.268,1076 0.067,1077 8.658,1078 11.026,1080 17.543,1081 8.389,1082 12.944,1083 -0.527,1084 16.127,1085 -0.246,1086 9.962,1087 12.709,1088 0.47,1089 20.11,1090 9.652,1091 3.36,1092 -0.687,1093 18.004,1094 -1.257,1095 11.026,1096 14.123,1098 22.529,1099 10.676,1100 2.553,1101 12.193,1102 19.896,1103 -1.574,1104 12.257,1105 15.726,1106 0.367,1107 25.05,1108 11.867,1109 2.48,1110 8.363,1111 21.799,1112 4.774,1113 13.405,1114 17.226,1116 27.52,1117 12.974,1118 2.101,1119 6.965,1120 23.712,1121 3.445,1122 14.616,1123 18.802,1124 0.283,1125 30.027,1126 14.144,1127 1.74,1128 6.614,1129 25.634,1130 3.317,1131 15.799,1132 20.338,1134 32.516,1135 15.286,1136 1.534,1137 4.997,1138 27.562,1139 2.875,1140 17.006,1141 21.904,1142 0.217,1143 35.019,1144 16.452,1145 1.423,1146 3.227,1147 29.495,1148 2.16,1149 18.204,1150 23.456,1152 37.515,1153 17.609,1154 6178,1155 9429,1156 17.394,1157 31.091,1158 37.981,1159 38.483,1160 39.681,1161 37.842,1162 37.839,1163 50.167,1164 2.52,1165 106.593,1166 36.025,1167 5.656,1168 5.464,1169 6.946,1170 5.398,1171 5.36,1172 7.774,1173 1.72,1174 19.691,1175 5.228,1176 10.633,1177 1.461,1178 1.48,1179 1.526,1180 1.455,1181 1.455,1182 1.929,1183 0.097,1184 4.1,1185 1.386,1186 4.141,1187 4.185,1188 4.116,1189 4.01,1190 5.081,1191 4.031,1192 3.914,1193 3.949,1194 3.836,1195 3.855,1196 4.751,1197 3.847,1198 3.584,1199 3.652,1200 3.479,1201 3.367,1202 4.636,1203 3.382,1204 3.462,1205 3.524,1206 3.304,1207 3.257,1208 4.432,1209 3.255,1210 3.356,1211 3.433,1212 3.223,1213 3.177,1214 4.204,1215 3.179,1216 3.16,1217 3.255,1218 2.96,1219 2.917,1220 3.88,1221 2.909,1222 3.038,1223 3.152,1224 2.75,1225 2.808,1226 3.72,1227 2.778,1228 2.901,1229 2.989,1230 2.74,1231 2.735,1232 3.674,1233 2.715,1234 0.184,1235 0.133,1236 0.273,1237 0.166,1238 0.129,1239 4.787,1240 0.184,1241 3.464,1242 0.033,1243 7.087,1244 0.469,1245 4.32,1246 0.124,1247 3.36,1248 4.774,1249 0.86,1250 12.193,1251 3.228,1252 1.925,1253 1.893,1254 2.059,1255 2.044,1256 1.233,1257 2.04,1258 1.836,1259 1.8,1260 1.913,1261 1.987,1262 1.135,1263 1.977,1264 1.719,1265 1.663,1266 1.898,1267 1.9,1268 1.065,1269 1.903,1270 1.443,1271 1.373,1272 1.715,1273 1.671,1274 0.881,1275 1.687,1276 1.373,1277 1.309,1278 1.646,1279 1.625,1280 0.748,1281 1.637,1282 1.134,1283 1.037,1284 1.508,1285 1.413,1286 0.559,1287 1.448,1288 1.075,1289 0.966,1290 1.492,1291 1.353,1292 0.541,1293 1.411,1294 0.886,1295 0.821,1296 1.181,1297 1.127,1298 0.276,1299 1.142,1300 3.97,1302 5.263,1303 2.398,1304 6.767,1305 4.949,1306 8.375,1307 7.209,1308 10.041,1310 5.979,1315 3.282,1317 3.478,1318 5.223,1326 29.068,1327 69.328,1328 163.472,1329 217.449,1330 235.059,1331 237.814,1332 237.814,1333 30.593,1334 7.044,1335 51.97,1336 51.97,1337 17,1338 12.446,1339 4.087,1340 3.17,1341 39.3,1342 85,1343 90,1344 0.227,1345 181.526,1346 301.79,1347 434.684,1348 10374,1350 16.941,1351 0.706,1352 0.606,1353 16.941,1354 14.542,1355 11.72,1356 0.451,1357 0.319,1358 8.166,1359 11.256,1360 7.855,1361 6.581,1362 11.72,1363 8.292,1364 9.891,1365 0.283,1366 0.17,1367 9.891,1368 5.938,1369 8.616,1370 0.179,1371 0.093,1372 8.616,1373 4.473,1374 7.197,1375 0.112,1376 0.047,1377 7.197,1378 3.029,1379 5.811,1380 0.074,1381 0.026,1382 5.811,1383 2.013,1384 0.354,1385 73.424,1386 0.24,1387 23.531,1388 0.625,1389 122,1390 321.004,1391 132.29,1392 311.755,1393 435.56,1394 296,1395 144,1396 322.868,1397 155.041,1398 331.661,1399 483.61,1400 310,1401 6.796}
{0 CHEMBL1458120,1 1.487,2 11.656,3 4.192,4 17.574,5 118.445,6 7.641,7 0.457,8 4.148,9 4.237,10 3.729,11 3.671,12 5.301,13 3.669,14 4.68,15 4.823,16 4.096,17 4.039,18 5.792,19 4.028,20 4.902,21 5.07,22 4.141,23 4.124,24 6.092,25 4.092,26 4.964,27 5.143,28 4.194,29 4.178,30 6.188,31 4.148,32 4.981,33 5.141,34 4.31,35 4.231,36 6.317,37 4.22,38 5.048,39 5.198,40 4.314,41 4.275,42 6.383,43 4.256,44 5.014,45 5.182,46 4.166,47 4.186,48 6.246,49 4.15,50 4.961,51 5.164,52 3.972,53 4.093,54 6.113,55 4.01,56 0.083,57 0.741,58 11.107,59 5.609,60 12.467,61 6.572,62 0.291,63 1.216,64 21.49,65 9.019,66 25.732,67 11.064,68 0.767,69 1.419,70 29.583,71 11.047,72 82.989,73 13.663,74 0.65,75 1.538,76 31.453,77 11.552,78 89.271,79 14.481,80 0.804,81 1.54,82 31.572,83 11.917,84 101.378,85 14.588,86 0.794,87 1.618,88 33.539,89 12.867,90 104.65,91 15.311,92 0.72,93 1.54,94 33.4,95 12.408,96 92.293,97 14.875,98 0.944,99 1.475,100 33.046,101 11.813,102 91.673,103 15.246,104 30,105 49,106 0.242,107 0.609,108 0.802,109 0.87,110 0.876,111 0.876,112 3.503,113 0.908,114 -2.55,115 -2.57,116 -2.51,120 43.9,121 2,122 2,126 2,128 1,137 1,139 1,143 8,144 1,145 1,152 1,153 3,158 1,159 1,174 8,176 1,177 11,182 1,185 7,188 2,189 9,192 2,197 6,200 1,201 8,204 1,206 1,209 5,213 3,214 10,217 1,219 3,222 8,226 2,227 12,230 1,232 4,235 12,239 1,240 7,245 2,247 12,251 3,252 5,255 1,260 9,263 2,264 5,271 5,274 2086,275 21.698,276 21.698,277 21.698,278 21.698,279 21.698,280 19.298,281 22.36,282 12.935,283 21.905,284 17.218,285 17.218,286 17.218,287 17.218,288 17.218,289 13.546,290 25.903,291 6.122,292 17.548,293 4.346,294 2.09,295 0.904,296 0.483,297 0.448,298 0.448,299 4.192,306 1,307 1,308 798,309 3.606,312 287.259,313 103.892,320 1.699,321 46.244,324 1,325 1,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.88,332 70.5,333 373,334 4.678,335 3.985,336 7.208,337 4.398,338 3.419,339 4.144,340 1.394,341 12.673,342 3.351,343 4.192,344 3.519,345 6.275,346 3.846,347 2.842,348 3.764,349 0.947,350 9.269,351 2.845,352 4.018,353 3.114,354 5.947,355 3.613,356 2.637,357 3.582,358 0.86,359 8.105,360 2.578,361 3.922,362 2.848,363 5.612,364 3.522,365 2.53,366 3.476,367 0.483,368 7.404,369 2.509,370 3.604,371 2.757,372 5.354,373 3.258,374 2.288,375 2.869,377 6.88,378 2.258,379 3.565,380 2.621,381 5.288,382 3.231,383 2.238,384 2.826,386 6.569,387 2.161,388 3.13,389 2.262,390 4.942,391 2.743,392 1.785,393 2.239,395 5.33,396 1.705,397 2.836,398 2.01,399 4.736,400 2.62,401 1.641,402 1.877,404 4.588,405 1.599,406 2.64,407 1.732,408 3.872,409 2.467,410 1.473,411 1.648,413 3.096,414 1.457,415 2.541,416 1.668,417 3.611,418 2.153,419 1.163,420 1.542,422 2.618,423 1.148,424 2.5,425 1.412,426 3.519,427 2,428 1,429 1.5,431 2.275,432 1,433 2.441,434 1.135,435 3.414,436 1.93,437 0.902,438 1.28,440 2.246,441 0.917,442 2.153,443 1.028,444 3.268,445 1.684,446 0.742,447 0.936,449 1.584,450 0.691,451 2.118,452 1,453 3.095,454 1.63,455 0.618,456 0.927,458 1.372,459 0.622,460 1.834,461 0.726,462 3,463 1.618,464 0.617,465 0.781,467 1.297,468 0.618,469 14.9,470 0.466,471 0.768,472 0.024,473 39.5,474 1.234,475 19,476 0.594,477 20.5,478 0.641,479 28.915,480 0.904,481 34.9,482 0.612,483 34.033,484 1.064,485 8.009,486 0.25,487 7.481,488 0.234,489 0.134,491 0.362,496 0.796,497 1.249,498 0.753,499 1.128,500 0.668,501 0.965,502 0.895,503 1.15,504 0.806,505 1.058,506 0.617,507 0.932,508 1.038,509 1.01,510 0.948,511 0.957,512 0.832,513 0.94,514 1.058,515 1.049,516 0.927,517 0.971,518 1.268,519 0.923,520 1.003,521 0.932,522 0.829,523 0.909,524 1.051,525 0.839,526 1.199,527 1.065,528 1.007,529 1.057,530 1.583,531 1.003,532 1.314,533 1.079,534 1.098,535 1.075,536 1.365,537 1.046,538 0.912,539 0.945,540 1.065,541 0.983,542 0.846,543 1.041,544 5.5,545 0.172,546 3.333,547 2.931,548 2.247,549 1.591,550 0.976,551 0.728,552 0.406,553 0.247,554 12798,555 34820,556 2.063,557 43.9,558 5,559 13,560 1,562 1,563 3,564 2,567 1.753,568 1.92,569 3.406,570 -0.372,572 1,575 84.772,576 1.487,577 3.743,578 4.929,579 5.35,580 5.385,581 5.385,582 2.919,583 4.688,584 4.959,585 3.612,586 1791.33,587 8.731,588 25449.6,590 1,592 1,593 332.475,594 1.448,595 4.925,596 0.157,597 0.007,598 0.068,599 0.06,600 0.043,601 0.027,602 0.017,603 0.015,604 0.01,605 0.008,606 0.412,607 0.33,608 1,609 1.2,610 165.659,611 -0.048,612 -0.124,613 0.047,614 -0.057,615 -0.061,616 0.002,617 -0.021,618 -0.065,619 0.085,620 -0.047,621 0.018,622 0.027,623 0.054,624 0.003,625 0.022,626 0.026,627 0.092,628 0.014,629 -0.031,630 -0.017,631 0.041,632 0.002,633 -0.015,634 0.032,635 0.102,636 0.092,637 0.136,638 0.077,639 0.173,640 0.11,641 -0.023,642 -0.061,643 -0.04,644 -0.065,645 -0.057,646 -0.059,647 -0.13,648 -0.099,649 -0.111,650 -0.092,651 -0.116,652 -0.096,653 0.109,654 0.037,655 -0.069,656 -0.012,657 0.046,658 -0.065,659 2.304,660 6.251,661 0.656,662 36.086,663 1.012,664 1.118,665 1.316,666 1.732,667 0.664,668 3.584,669 3.912,670 4.22,671 4.522,672 4.718,673 4.868,674 5.03,675 5.198,676 5.288,677 5.263,678 6.696,679 0.643,680 435.51,681 3.584,682 5.13,683 5.994,684 6.887,685 7.779,686 8.686,687 9.594,688 10.51,689 11.427,690 12.349,691 1.8,698 1,709 9,712 2,714 5,716 16,721 1,735 1,738 57,739 19,740 1,741 35,743 60,744 25,745 14,746 2,747 4,748 4,752 4,753 4,759 2,763 1,766 3,768 18,769 7,772 3,778 2,782 4,786 1,788 2,789 25,790 7,791 1,792 7,797 1,803 1,804 6,822 3,823 1,839 1,845 1,846 1,853 1,855 4,859 2,862 32,868 1,869 4,872 1,874 1,875 1,886 10.5,888 1,889 2,891 3,893 16.667,894 10.817,895 7.139,896 3.586,898 2.27,899 1.298,900 0.949,901 6.751,902 9.894,903 3.85,904 4.419,905 4.98,906 5.503,907 5.84,908 6.114,909 6.466,910 6.877,911 7.18,912 7.331,913 0.875,914 49,915 11.976,917 5.249,918 7.901,919 22.356,921 18.276,924 2.401,925 76.833,928 1,929 282.506,930 154.766,931 3.124,933 122.988,936 154.766,937 405.494,938 3.124,939 17.65,940 14.891,941 87.549,942 102.811,943 41.629,944 28.118,945 270.735,947 282.506,948 157.891,949 122.988,952 258.964,953 146.53,956 32.542,957 125.349,960 282.506,961 126.112,962 154.766,965 282.506,966 49.566,967 108.324,969 122.988,970 282.506,971 126.112,972 154.766,973 0.577,974 0.342,975 0.188,976 0.101,977 23,978 11,979 0.15,980 9,982 1,983 4.183,984 301.684,986 21,987 156,993 22.278,994 9.696,995 4.657,997 126.112,998 15.378,1001 10.881,1003 2.546,1005 42.683,1006 563.385,1007 46,1013 26.228,1017 -1.764,1020 57.669,1021 63.737,1022 0.255,1023 0.642,1024 0.845,1025 0.917,1026 0.923,1027 0.923,1028 5.094,1029 1.641,1030 5.984,1031 5.33,1032 4.595,1033 5.106,1034 2.069,1035 6.832,1036 4.561,1037 6.295,1038 1.473,1039 7.565,1040 4.588,1041 4.205,1042 4.856,1043 0.914,1044 7.823,1045 4.16,1046 7.604,1047 1.163,1048 9.252,1049 3.096,1050 6.213,1051 7.242,1052 2.18,1053 10.998,1054 6.146,1055 8.951,1056 1,1057 11.003,1058 2.618,1059 6.698,1060 7.851,1061 1.589,1062 12.894,1063 6.622,1064 10.335,1065 0.902,1066 12.798,1067 2.275,1068 8.157,1069 9.657,1070 2.495,1071 15.616,1072 8.06,1073 11.743,1074 0.742,1075 14.625,1076 2.246,1077 9.038,1078 10.649,1079 2.253,1080 17.895,1081 8.927,1082 13.17,1083 0.618,1084 16.475,1085 1.584,1086 10.309,1087 12.221,1088 2.948,1089 20.483,1090 10.178,1091 3.419,1092 0.617,1093 18.346,1094 1.372,1095 11.371,1096 13.402,1097 2.925,1098 22.921,1099 11.222,1100 2.842,1101 12.673,1102 20.233,1103 1.297,1104 12.586,1105 14.871,1106 3.49,1107 25.47,1108 12.416,1109 2.637,1110 9.269,1111 22.134,1112 4.144,1113 13.731,1114 16.15,1115 3.601,1116 27.969,1117 13.54,1118 2.53,1119 8.105,1120 24.046,1121 3.764,1122 14.936,1123 17.574,1124 4.084,1125 30.509,1126 14.723,1127 2.288,1128 7.404,1129 25.968,1130 3.582,1131 16.119,1132 18.905,1133 4.278,1134 33.032,1135 15.885,1136 2.238,1137 6.88,1138 27.898,1139 3.476,1140 17.327,1141 20.311,1142 4.708,1143 35.57,1144 17.071,1145 1.785,1146 6.569,1147 29.836,1148 2.869,1149 18.53,1150 21.672,1151 4.953,1152 38.102,1153 18.252,1154 12440,1155 20761,1156 23.175,1157 37.869,1158 53.465,1159 54.596,1160 54.435,1161 52.352,1162 52.269,1163 67.376,1164 7.367,1165 151.792,1166 51.387,1167 5.607,1168 5.985,1169 7.118,1170 5.44,1171 5.419,1172 7.144,1173 2.511,1174 20.384,1175 5.351,1176 16.545,1177 1.528,1178 1.56,1179 1.555,1180 1.496,1181 1.493,1182 1.925,1183 0.21,1184 4.337,1185 1.468,1186 4.06,1187 4.076,1188 4.024,1189 3.948,1190 7.435,1191 3.961,1192 3.905,1193 3.912,1194 3.857,1195 3.773,1196 7.422,1197 3.789,1198 3.874,1199 3.887,1200 3.815,1201 3.731,1202 6.459,1203 3.75,1204 3.731,1205 3.759,1206 3.678,1207 3.578,1208 5.074,1209 3.597,1210 3.634,1211 3.686,1212 3.466,1213 3.498,1214 5.02,1215 3.482,1216 3.222,1217 3.268,1218 3.144,1219 3.022,1220 4.844,1221 3.037,1222 3.185,1223 3.254,1224 3.016,1225 2.957,1226 4.368,1227 2.957,1228 3.026,1229 3.103,1230 2.857,1231 2.839,1232 4.092,1233 2.826,1234 0.134,1235 0.114,1236 0.206,1237 0.126,1238 0.098,1239 4.678,1240 0.118,1241 3.985,1242 0.04,1243 7.208,1244 0.362,1245 4.398,1246 0.096,1247 3.419,1248 4.144,1249 1.394,1250 12.673,1251 3.351,1252 1.919,1253 1.899,1254 2.024,1255 2.016,1256 1.245,1257 2.018,1258 1.679,1259 1.648,1260 1.948,1261 1.863,1262 1.198,1263 1.892,1264 1.632,1265 1.599,1266 1.776,1267 1.802,1268 0.947,1269 1.769,1270 1.593,1271 1.554,1272 1.75,1273 1.769,1274 0.86,1275 1.745,1276 1.546,1277 1.512,1278 1.681,1279 1.719,1280 0.798,1281 1.737,1282 1.398,1283 1.366,1284 1.58,1285 1.586,1286 0.702,1287 1.589,1288 1.279,1289 1.269,1290 1.538,1291 1.494,1292 0.614,1293 1.488,1294 1.19,1295 1.153,1296 1.43,1297 1.463,1298 0.534,1299 1.447,1300 4.263,1302 5.587,1303 3.434,1304 7.094,1305 5.778,1306 8.692,1307 7.854,1308 10.348,1310 3.817,1314 10.695,1315 2.702,1318 5.726,1320 -0.796,1321 1.421,1326 36.632,1327 84.772,1328 213.342,1329 280.965,1330 304.965,1331 306.965,1332 306.965,1333 80.964,1334 7.624,1335 93.12,1336 93.12,1337 21,1338 12.858,1339 4.322,1340 3.585,1341 51.429,1342 117,1343 188,1344 0.202,1345 222.503,1346 396.26,1347 534.668,1348 18957,1350 22.665,1351 0.708,1352 0.564,1353 22.665,1354 18.038,1355 15.49,1356 0.443,1357 0.303,1358 10.435,1359 14.812,1360 10.181,1361 8.453,1362 15.49,1363 10.596,1364 13.737,1365 0.28,1366 0.157,1367 13.737,1368 7.688,1369 11.869,1370 0.177,1371 0.08,1372 11.869,1373 5.381,1374 9.811,1375 0.108,1376 0.041,1377 9.811,1378 3.736,1379 7.519,1380 0.068,1381 0.022,1382 7.519,1383 2.407,1384 0.31,1385 97.845,1386 0.208,1387 29.53,1388 0.579,1389 168,1390 552.472,1391 188.463,1392 515.402,1393 697.43,1394 482,1395 200,1396 510.563,1397 221.603,1398 507.133,1399 748.73,1400 478,1401 4.332}
{0 CHEMBL1458302,1 1.378,2 9.143,3 3.235,4 10.463,5 83.565,6 7.034,7 0.522,8 3.769,9 3.88,10 3.299,11 3.349,12 4.812,13 3.311,14 4.314,15 4.485,16 3.624,17 3.722,18 5.306,19 3.663,20 4.553,21 4.755,22 3.721,23 3.847,24 5.528,25 3.773,26 4.602,27 4.797,28 3.597,29 3.777,30 5.655,31 3.69,32 4.557,33 4.79,34 3.396,35 3.684,36 5.562,37 3.557,38 4.355,39 4.611,40 3.229,41 3.601,42 5.157,43 3.45,44 4.269,45 4.502,46 3.189,47 3.528,48 5.175,49 3.395,50 4.178,51 4.414,52 3.014,53 3.397,54 5.083,55 3.244,56 0.019,57 0.525,58 8.516,59 3.931,60 5.083,61 5.144,62 0.168,63 0.879,64 16.042,65 6.38,66 14.818,67 8.555,68 0.141,69 1.071,70 21.002,71 8.255,72 19.741,73 11.097,74 0.255,75 1.052,76 22.877,77 8.523,78 40.457,79 10.914,80 0.442,81 0.993,82 22.61,83 8.224,84 52.612,85 10.956,86 0.12,87 0.86,88 17.626,89 7.325,90 18.653,91 10.25,92 0.143,93 0.789,94 16.11,95 6.483,96 21.955,97 8.876,98 0.106,99 0.716,100 14.655,101 5.983,102 19.418,103 8.251,104 6,105 31,106 0.245,107 0.547,108 0.722,109 0.829,110 0.855,111 0.855,112 3.103,113 0.962,114 -4.36,115 -4.3,116 -4.05,120 45,121 1,122 1,126 3,143 8,144 3,145 1,159 1,174 11,176 1,177 7,185 11,189 9,197 7,201 7,209 5,213 2,214 3,222 9,235 12,240 3,247 11,252 4,260 5,264 4,271 2,274 554,275 14.56,276 14.56,277 14.56,278 14.56,279 14.56,280 12.99,281 16.002,282 8.694,283 14.797,284 11.277,285 11.277,286 11.277,287 11.277,288 11.277,289 8.876,290 17.933,291 4.014,292 11.599,293 3.944,294 2.251,295 1.269,296 0.669,297 0.519,298 0.519,299 3.788,305 1,306 1,307 1,308 411,309 2.449,313 162.413,317 84.792,320 1.401,321 15.759,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44.5,333 192,334 4.493,335 3.741,336 6.757,337 4.165,338 3.179,339 4.123,340 1.2,341 10.993,342 3.132,343 3.916,344 3.143,345 6.001,346 3.577,347 2.621,348 3.446,349 1.151,350 8.401,351 2.515,352 3.817,353 2.75,354 5.35,355 3.461,356 2.476,357 3.115,358 0.293,359 6.969,360 2.423,361 3.171,362 2.317,363 5.146,364 2.9,365 1.946,366 2.312,368 5.882,369 1.85,370 2.935,371 2.132,372 4.37,373 2.577,374 1.592,375 2.094,377 4.06,378 1.561,379 2.901,380 1.612,381 3.702,382 2.474,383 1.481,384 2.058,386 3.152,387 1.47,388 2.577,389 1.597,390 3.63,391 2.206,392 1.213,393 1.519,395 2.762,396 1.193,397 2.5,398 1.122,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 1.949,407 1,408 3.164,409 1.684,410 0.688,411 0.808,413 1.462,414 0.68,415 1.745,416 0.857,417 3.06,418 1.521,419 0.602,420 0.675,422 1.184,423 0.547,424 1.192,425 0.463,426 2.539,427 0.933,428 -0.073,429 -0.087,431 -0.144,432 -0.072,433 0.918,434 -0.044,435 2.397,436 0.579,437 -0.4,438 -0.455,440 -0.866,441 -0.39,442 0.718,443 -0.416,444 2.248,445 0.44,446 -0.556,447 -0.706,449 -1.361,450 -0.552,451 0.603,452 -0.524,453 2.063,454 0.175,455 -0.806,456 -1.087,458 -1.785,459 -0.783,460 0.5,461 -0.781,462 1.641,464 -1,465 -1.5,467 -2.347,468 -1,469 10.067,470 0.479,471 0.38,472 0.018,473 27,474 1.286,475 14,476 0.667,477 13,478 0.619,479 15.336,480 0.73,481 22.333,482 0.558,483 17.731,484 0.844,485 5.425,486 0.258,487 4.867,488 0.232,489 0.083,491 0.288,496 0.711,497 1.243,498 0.814,499 1.096,500 0.564,501 0.987,502 0.99,503 1.018,504 0.936,505 0.954,506 0.647,507 0.933,508 1.053,509 1.052,510 0.916,511 1.037,512 0.833,513 0.963,514 1.8,515 1.142,516 1.216,517 1.142,518 1.776,519 1.119,520 1.428,521 0.841,522 1.123,523 0.88,524 1.576,525 0.959,526 0.567,527 0.915,528 0.886,529 0.952,530 0.598,531 0.959,532 0.931,533 0.943,534 1.036,535 0.977,536 0.935,537 1.013,538 0.812,539 1.16,540 1.087,541 1.16,542 0.69,543 1.164,544 3,545 0.037,546 2.444,547 1.25,548 1.089,549 0.59,550 0.245,551 0.189,552 0.151,553 0.081,554 4355,555 10102,556 2.102,557 47.5,559 14,564 5,567 1.631,568 2,569 3.17,570 -0.844,571 1,572 1,574 1,575 55.108,576 1.378,577 3.071,578 4.053,579 4.653,580 4.803,581 4.803,582 2.701,583 3.785,584 4.363,585 3.287,586 690.179,587 7.473,588 7248.5,589 1,590 1,591 1,592 1,593 212.877,594 1.268,595 4.338,596 0.13,597 0.006,598 0.079,599 0.038,600 0.04,601 0.027,602 0.012,603 0.01,604 0.01,605 0.008,606 0.361,607 0.67,608 1,609 0.741,610 94.616,611 0.015,612 -0.138,613 0.063,614 -0.055,615 -0.019,616 -0.002,617 0.018,618 0.066,619 0.009,620 0.028,621 0.008,622 0.02,623 -0.01,624 -0.031,625 0.052,626 -0.061,627 0.039,628 -0.001,629 -0.187,630 -0.184,631 -0.191,632 -0.18,633 -0.148,634 -0.186,635 0.031,636 0.097,637 -0.091,638 0.077,639 -0.06,640 -0.011,641 0.014,642 0.036,643 0.054,644 0.045,645 -0.002,646 0.053,647 -0.094,648 0.032,649 -0.081,650 0.009,651 -0.085,652 -0.027,653 -0.045,654 -0.204,655 -0.139,656 -0.173,657 0.019,658 -0.172,659 1.552,660 5.345,661 0.762,662 15.995,663 0.993,664 1.116,665 3.134,666 9.824,667 0.669,668 3.178,669 3.466,670 3.761,671 3.989,672 4.205,673 4.205,674 4.304,675 4.331,676 4.394,677 4.317,678 5.325,679 0.63,680 281.38,681 3.178,682 4.691,683 5.541,684 6.405,685 7.272,686 8.145,687 9.019,688 9.896,689 10.775,690 11.656,691 2.5,698 1,709 8,714 4,716 12,724 1,735 1,738 40,739 13,740 2,741 23,743 42,744 18,745 12,746 4,747 8,748 1,752 3,753 4,759 1,763 1,766 1,768 13,769 5,772 1,778 1,782 1,785 1,786 1,789 19,790 3,792 3,797 1,803 0.667,804 2,823 3,827 1,855 2,859 1,862 21,869 4,872 1,875 1,886 5,889 1,891 1,893 10.5,894 7.45,895 4.778,896 2.604,898 2.336,899 1.343,900 0.981,901 4.139,902 9.139,903 3.434,904 3.97,905 4.527,906 5.017,907 5.494,908 5.521,909 5.818,910 6.049,911 6.364,912 6.547,913 1,914 33,915 7.791,917 3.262,918 7.635,919 15.123,921 12.345,924 2.135,925 44.833,926 0.001,929 223.651,930 115.478,931 3.124,933 36.145,936 115.478,937 259.796,938 3.124,939 8.825,940 14.463,941 75.81,942 29.85,943 25.8,945 223.651,947 223.651,948 118.603,949 36.145,952 164.795,953 95,956 23.288,957 95.315,960 223.651,961 39.269,962 115.478,965 223.651,966 30.843,967 87.759,969 36.145,970 223.651,971 39.269,972 115.478,973 0.568,974 0.348,975 0.189,976 0.099,977 15,978 6,979 0.095,980 4,981 1,982 1.125,983 3.371,984 159.552,985 0.125,986 16,987 88.239,993 13.996,994 6.211,995 2.895,997 39.269,998 15.829,1003 3.796,1006 378.398,1007 30,1013 12.345,1017 0.115,1020 39.709,1021 44.654,1022 0.259,1023 0.577,1024 0.762,1025 0.874,1026 0.903,1027 0.903,1028 4.644,1029 1,1030 5.501,1031 2.762,1032 4.143,1033 4.654,1034 1.876,1035 6.301,1036 4.093,1037 5.816,1038 0.688,1039 7.052,1040 2.136,1041 3.611,1042 4.29,1043 0.325,1044 7.217,1045 3.545,1046 7.101,1047 0.602,1048 8.71,1049 1.462,1050 5.714,1051 6.768,1052 2.085,1053 10.336,1054 5.617,1055 8.426,1056 -0.073,1057 10.435,1058 1.184,1059 6.066,1060 7.264,1061 0.653,1062 12.118,1063 5.957,1064 9.787,1065 -0.4,1066 12.203,1067 -0.144,1068 7.589,1069 9.184,1070 2.336,1071 14.757,1072 7.457,1073 11.174,1074 -0.556,1075 14.001,1076 -0.866,1077 8.36,1078 10.096,1079 1.001,1080 16.886,1081 8.218,1082 12.581,1083 -0.806,1084 15.82,1085 -1.361,1086 9.647,1087 11.767,1088 2.602,1089 19.368,1090 9.487,1091 3.179,1092 -1,1093 17.655,1094 -1.785,1095 10.617,1096 12.899,1097 1.37,1098 21.645,1099 10.448,1100 2.621,1101 10.993,1102 19.502,1103 -2.347,1104 11.81,1105 14.444,1106 2.878,1107 24.072,1108 11.626,1109 2.476,1110 8.401,1111 21.36,1112 4.123,1113 12.874,1114 15.698,1115 1.754,1116 26.413,1117 12.68,1118 1.946,1119 6.969,1120 23.225,1121 3.446,1122 14.033,1123 17.179,1124 3.162,1125 28.82,1126 13.827,1127 1.592,1128 5.882,1129 25.096,1130 3.115,1131 15.142,1132 18.501,1133 2.143,1134 31.191,1135 14.924,1136 1.481,1137 4.06,1138 26.974,1139 2.312,1140 16.291,1141 19.949,1142 3.453,1143 33.591,1144 16.061,1145 1.213,1146 3.152,1147 28.856,1148 2.094,1149 17.421,1150 21.311,1151 2.535,1152 35.975,1153 17.18,1154 4244,1155 6554,1156 15.603,1157 26.767,1158 33.919,1159 35.079,1160 34.941,1161 33.563,1162 33.593,1163 43.3,1164 5.287,1165 94.001,1166 32.742,1167 5.44,1168 5.741,1169 6.559,1170 5.213,1171 5.179,1172 7.123,1173 2.351,1174 18.38,1175 5.132,1176 7.94,1177 1.475,1178 1.525,1179 1.519,1180 1.459,1181 1.461,1182 1.883,1183 0.23,1184 4.087,1185 1.424,1186 4.021,1187 4.045,1188 3.972,1189 3.934,1190 7.428,1191 3.939,1192 3.89,1193 3.921,1194 3.817,1195 3.83,1196 4.857,1197 3.823,1198 3.599,1199 3.663,1200 3.486,1201 3.418,1202 4.704,1203 3.422,1204 3.287,1205 3.371,1206 3.129,1207 3.136,1208 4.288,1209 3.11,1210 3.245,1211 3.282,1212 3.069,1213 3.056,1214 4.164,1215 3.065,1216 3.065,1217 3.093,1218 2.953,1219 2.883,1220 3.838,1221 2.894,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.724,1229 2.786,1230 2.591,1231 2.567,1232 3.599,1233 2.562,1234 0.195,1235 0.163,1236 0.294,1237 0.181,1238 0.138,1239 4.493,1240 0.179,1241 3.741,1242 0.052,1243 6.757,1244 0.478,1245 4.165,1246 0.136,1247 3.179,1248 4.123,1249 1.2,1250 10.993,1251 3.132,1252 1.97,1253 1.95,1254 2.073,1255 2.083,1256 1.308,1257 2.08,1258 1.895,1259 1.867,1260 2.024,1261 1.982,1262 1.132,1263 1.998,1264 1.572,1265 1.504,1266 1.828,1267 1.775,1268 0.993,1269 1.794,1270 1.322,1271 1.243,1272 1.635,1273 1.525,1274 0.827,1275 1.568,1276 1.197,1277 1.155,1278 1.452,1279 1.426,1280 0.608,1281 1.432,1282 0.995,1283 0.966,1284 1.181,1285 1.231,1286 0.287,1287 1.21,1288 0.886,1289 0.821,1290 1.176,1291 1.062,1292 0.218,1293 1.107,1294 0.718,1295 0.659,1296 1.038,1297 0.937,1298 0.183,1299 0.975,1300 3.85,1302 5.142,1304 6.658,1306 8.277,1308 9.948,1310 2.013,1315 2.921,1318 5.937,1321 1.878,1326 25.192,1327 55.108,1328 122.823,1329 162.122,1330 186.122,1331 192.122,1332 192.122,1333 30.674,1334 6.804,1335 29.54,1336 29.54,1337 18,1338 12.192,1339 3.807,1340 3,1341 32.201,1342 66,1343 66,1344 0.241,1345 155.547,1346 271.18,1347 371.296,1348 7595,1350 14.656,1351 0.698,1352 0.581,1353 14.656,1354 12.211,1355 10.292,1356 0.447,1357 0.321,1358 7.296,1359 9.995,1360 7.103,1361 5.897,1362 10.292,1363 7.372,1364 8.705,1365 0.281,1366 0.167,1367 8.705,1368 5.191,1369 7.752,1370 0.185,1371 0.093,1372 7.752,1373 3.901,1374 6.375,1375 0.12,1376 0.051,1377 6.375,1378 2.715,1379 5.021,1380 0.076,1381 0.028,1382 5.021,1383 1.833,1384 0.373,1385 63.813,1386 0.253,1387 20.782,1388 0.676,1389 108,1390 293.116,1391 116.172,1392 281.956,1393 388.4,1394 266,1395 127,1396 283.908,1397 135.977,1398 287.926,1399 423.41,1400 272,1401 4.428}
{0 CHEMBL1458515,1 1.618,2 14.643,3 4.041,4 16.326,5 114.844,6 7.703,7 0.414,8 4.024,9 4.131,10 3.603,11 3.532,12 5.178,13 3.509,14 4.517,15 4.68,16 3.901,17 3.838,18 5.64,19 3.799,20 4.66,21 4.828,22 3.943,23 3.992,24 5.765,25 3.91,26 4.739,27 4.931,28 3.907,29 3.998,30 5.838,31 3.877,32 4.79,33 5.029,34 3.728,35 3.927,36 5.763,37 3.78,38 4.654,39 4.888,40 3.696,41 3.8,42 5.695,43 3.663,44 4.544,45 4.779,46 3.687,47 3.727,48 5.594,49 3.582,50 4.442,51 4.674,52 3.708,53 3.655,54 5.57,55 3.517,56 0.046,57 0.692,58 10.384,59 4.855,60 8.303,61 5.975,62 0.372,63 1.054,64 21.03,65 7.422,66 33.717,67 9.375,68 0.363,69 1.22,70 24.96,71 9.58,72 37.19,73 11.696,74 0.328,75 1.305,76 28.561,77 10.608,78 49.198,79 13.166,80 0.42,81 1.322,82 32.266,83 10.866,84 50.38,85 13.825,86 0.409,87 1.157,88 27.343,89 9.251,90 50.908,91 11.759,92 0.388,93 1.061,94 26.441,95 8.66,96 46.833,97 10.615,98 0.434,99 0.984,100 25.371,101 8.018,102 44.96,103 9.892,104 35,105 37,106 0.272,107 0.587,108 0.723,109 0.796,110 0.82,111 0.853,112 3.373,113 0.939,114 -3.59,115 -3.56,116 -3.4,120 40.4,122 1,125 3,126 1,136 2,143 7,144 2,145 3,159 1,160 1,174 10,177 5,180 1,181 1,182 2,185 11,188 1,189 7,194 2,197 8,201 5,204 1,206 5,209 2,214 4,219 5,227 4,230 1,232 5,235 1,240 1,243 1,245 3,247 2,251 1,252 2,255 2,257 2,260 4,264 1,267 1,271 6,274 1390,275 18.972,276 18.972,277 18.972,278 18.972,279 18.972,280 17.109,281 21.463,282 11.371,283 19.68,284 14.102,285 14.102,286 14.102,287 14.102,288 14.102,289 11.014,290 21.742,291 5.154,292 14.95,293 4.082,294 2.203,295 1.393,296 0.962,297 0.818,298 0.62,299 4.041,306 1,307 1,308 840,309 4.183,313 231.442,320 2.337,321 24.41,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 61,333 410,334 4.264,335 3.82,336 6.165,337 3.853,338 2.899,339 3.909,340 1.773,341 9.124,342 2.766,343 4.072,344 3.37,345 5.492,346 3.649,347 2.668,348 3.676,349 0.99,350 7.369,351 2.622,352 3.853,353 3.208,354 5.317,355 3.474,356 2.533,357 3.127,358 0.86,359 6.867,360 2.398,361 3.581,362 2.858,363 5.246,364 3.252,365 2.279,366 2.872,367 0.86,368 6.63,369 2.203,370 3.533,371 2.59,372 5.1,373 3.134,374 2.19,375 2.816,376 0.86,377 6.252,378 2.055,379 3.337,380 2.356,381 4.625,382 2.89,383 1.939,384 2.501,385 0.14,386 5.012,387 1.796,388 2.919,389 2.177,390 4.366,391 2.521,392 1.609,393 2.057,395 4.126,396 1.461,397 2.5,398 1.563,399 3.427,400 2.068,401 1.125,402 1.5,404 2.447,405 1.052,406 2.407,407 1.192,408 3.414,409 2,410 1,411 1.253,413 2.275,414 1,415 2.259,416 1.114,417 3.152,418 1.719,419 0.763,420 1.061,422 1.6,423 0.718,424 1.885,425 1,426 3.006,427 1.578,428 0.679,429 0.794,431 1.238,432 0.603,433 1.655,434 0.938,435 2.749,436 1.308,437 0.406,438 0.495,440 0.659,441 0.363,442 1.47,443 0.926,444 2.586,445 1.206,446 0.352,447 0.384,449 0.483,450 0.298,451 1.109,452 0.781,453 2.455,454 0.877,455 -0.063,456 -0.07,458 -0.13,459 -0.058,460 1,461 0.41,462 2.26,463 0.525,464 -0.404,465 -0.476,467 -0.824,468 -0.366,469 13.467,470 0.481,471 0.536,472 0.019,473 34.75,474 1.241,475 17.5,476 0.625,477 17.25,478 0.616,479 21.462,480 0.766,481 30.933,482 0.595,483 27.256,484 0.973,485 7.61,486 0.272,487 5.94,488 0.212,489 0.198,491 0.26,496 0.875,497 1.259,498 0.704,499 1.028,500 0.663,501 0.986,502 1.23,503 0.94,504 0.792,505 0.829,506 0.753,507 0.841,508 1.007,509 1.082,510 1.039,511 1.059,512 1.025,513 1.057,514 0.902,515 1.251,516 1.098,517 1.238,518 0.898,519 1.219,520 1.039,521 1.044,522 1.097,523 1.02,524 1.003,525 1.031,526 1.057,527 1.021,528 0.995,529 0.931,530 1.412,531 0.983,532 1.053,533 0.97,534 1.104,535 0.935,536 1.453,537 0.894,538 0.616,539 0.973,540 1.107,541 1.071,542 0.757,543 0.883,544 6,545 0.153,546 2.667,547 1.313,548 1.316,549 0.757,550 0.345,551 0.38,552 0.246,553 0.157,554 11053,555 33432,556 1.956,557 46.2,559 20,562 2,564 2,567 1.702,568 1.826,569 3.814,570 0.247,572 1,575 84.145,576 1.618,577 3.498,578 4.307,579 4.738,580 4.883,581 5.08,582 3.271,583 4.352,584 4.78,585 4,586 1512.03,587 8.264,588 22288.5,590 1,592 1,593 296.423,594 1.405,595 4.732,596 0.207,597 0.008,598 0.072,599 0.035,600 0.04,601 0.027,602 0.013,603 0.015,604 0.01,605 0.007,606 0.433,607 0.33,608 1,609 0.961,610 146.776,611 -0.049,612 -0.131,613 0.025,614 -0.083,615 -0.056,616 -0.027,617 -0.073,618 0.097,619 0.062,620 0.093,621 0.044,622 0.097,623 -0.037,624 -0.035,625 -0.107,626 -0.06,627 -0.071,628 -0.085,629 -0.028,630 -0.23,631 -0.12,632 -0.221,633 0.016,634 -0.231,635 -0.119,636 -0.07,637 -0.082,638 -0.037,639 -0.08,640 -0.046,641 -0.074,642 -0.039,643 0.007,644 0.032,645 -0.093,646 -0.012,647 -0.069,648 0.048,649 0.062,650 0.129,651 -0.119,652 0.094,653 0.25,654 0.095,655 0.161,656 0.067,657 0.243,658 0.122,659 1.959,660 4.957,661 0.429,662 31.76,663 1.006,664 1.122,665 2.363,666 5.582,667 0.67,668 3.401,669 3.638,670 3.807,671 3.932,672 4.06,673 3.989,674 3.912,675 3.871,676 3.871,677 3.807,678 8.439,679 0.632,680 400.54,681 3.401,682 4.89,683 5.687,684 6.512,685 7.322,686 8.149,687 8.963,688 9.791,689 10.608,690 11.436,691 3.8,698 2,709 7,714 5,716 12,735 3,738 52,739 15,740 2,741 29,743 53,744 21,745 12,746 5,747 7,748 3,752 2,753 2,757 1,766 1,768 16,769 5,772 3,778 1,779 1,780 2,782 2,786 1,789 24,790 6,791 2,792 7,793 1,797 2,800 1,803 1,804 4,823 2,845 2,855 2,857 1,859 3,862 28,869 2,871 2,872 3,886 7.7,889 1,891 3,893 15.333,894 10.083,895 6.611,896 2.736,898 2.5,899 1.372,900 0.928,901 9.105,902 9.229,903 3.664,904 4.159,905 4.63,906 5.067,907 5.53,908 5.56,909 5.645,910 5.715,911 5.856,912 5.774,913 0.9,914 38,915 10.262,917 4.037,918 7.815,919 19.309,921 14.436,924 2.315,925 64.833,927 1,928 1,929 258.964,930 194.858,931 36.022,933 58.145,935 45.192,936 149.666,937 317.109,938 36.022,939 32.649,940 40.662,941 85.286,942 29.85,943 55.101,944 0.285,945 258.964,946 45.192,947 258.964,948 185.688,949 58.145,950 45.192,952 235.422,953 81.687,956 40.662,957 126.074,958 18.952,959 45.192,960 258.964,961 94.166,962 194.858,965 258.964,966 31.731,967 117.935,968 36.022,969 103.337,970 258.964,971 94.166,972 194.858,973 0.557,974 0.324,975 0.163,976 0.084,977 13,978 7,979 0.151,980 8,982 1,983 4.109,984 206.989,986 12,987 130.606,990 1,993 22.047,994 11.563,995 7.364,997 94.166,998 13.126,1003 4.091,1005 36.022,1006 547.989,1007 38,1013 11.957,1014 5.159,1015 3.144,1017 -0.01,1020 52.309,1021 58.321,1022 0.284,1023 0.614,1024 0.756,1025 0.831,1026 0.857,1027 0.891,1028 4.852,1029 1.125,1030 5.631,1031 4.126,1032 4.317,1033 4.844,1034 2.549,1035 6.33,1036 4.219,1037 6.022,1038 1,1039 7.127,1040 2.447,1041 3.761,1042 4.527,1043 1.305,1044 7.034,1045 3.619,1046 7.294,1047 0.763,1048 8.713,1049 2.275,1050 5.814,1051 6.928,1052 2.996,1053 10.006,1054 5.641,1055 8.599,1056 0.679,1057 10.351,1058 1.6,1059 6.043,1060 7.378,1061 2.579,1062 11.493,1063 5.812,1064 9.93,1065 0.406,1066 12.022,1067 1.238,1068 7.536,1069 9.261,1070 3.78,1071 13.967,1072 7.294,1073 11.279,1074 0.352,1075 13.714,1076 0.659,1077 8.141,1078 10.078,1079 3.828,1080 15.81,1081 7.835,1082 12.641,1083 -0.063,1084 15.423,1085 0.483,1086 9.388,1087 11.729,1088 4.758,1089 18.106,1090 9.073,1091 2.899,1092 -0.404,1093 17.144,1094 -0.13,1095 10.191,1096 12.753,1097 5.043,1098 20.127,1099 9.813,1100 2.668,1101 9.124,1102 18.876,1103 -0.824,1104 11.322,1105 14.28,1106 5.825,1107 22.357,1108 10.93,1109 2.533,1110 7.369,1111 20.617,1112 3.909,1113 12.233,1114 15.429,1115 6.232,1116 24.47,1117 11.781,1118 2.279,1119 6.867,1120 22.367,1121 3.676,1122 13.311,1123 16.884,1124 6.931,1125 26.679,1126 12.837,1127 2.19,1128 6.63,1129 24.123,1130 3.127,1131 14.281,1132 18.109,1133 7.405,1134 28.838,1135 13.75,1136 1.939,1137 6.252,1138 25.887,1139 2.872,1140 15.336,1141 19.521,1142 8.054,1143 31.041,1144 14.776,1145 1.609,1146 5.012,1147 27.656,1148 2.816,1149 16.338,1150 20.795,1151 8.567,1152 33.224,1153 15.726,1154 11075,1155 19394,1156 18.781,1157 34.853,1158 41.398,1159 43.584,1160 42.946,1161 40.828,1162 40.89,1163 52.891,1164 10.967,1165 108.165,1166 38.672,1167 5.184,1168 5.82,1169 5.728,1170 4.887,1171 4.899,1172 6.909,1173 3.162,1174 15.378,1175 4.766,1176 16.085,1177 1.428,1178 1.503,1179 1.481,1180 1.408,1181 1.41,1182 1.824,1183 0.378,1184 3.73,1185 1.334,1186 3.964,1187 3.987,1188 3.962,1189 3.886,1190 7.43,1191 3.886,1192 3.921,1193 3.941,1194 3.869,1195 3.851,1196 4.938,1197 3.851,1198 3.667,1199 3.709,1200 3.853,1201 3.52,1202 4.875,1203 3.505,1204 3.497,1205 3.543,1206 3.452,1207 3.338,1208 4.831,1209 3.334,1210 3.301,1211 3.352,1212 3.287,1213 3.155,1214 4.496,1215 3.117,1216 3.247,1217 3.314,1218 3.071,1219 2.954,1220 4.443,1221 2.962,1222 3.208,1223 3.277,1224 3.051,1225 2.937,1226 4.326,1227 2.945,1228 3.074,1229 3.147,1230 2.957,1231 2.89,1232 4.041,1233 2.863,1234 0.147,1235 0.132,1236 0.213,1237 0.133,1238 0.1,1239 4.264,1240 0.135,1241 3.82,1242 0.061,1243 6.165,1244 0.315,1245 3.853,1246 0.095,1247 2.899,1248 3.909,1249 1.773,1250 9.124,1251 2.766,1252 1.916,1253 1.895,1254 2.025,1255 2.019,1256 1.231,1257 2.021,1258 1.91,1259 1.89,1260 2.019,1261 2.002,1262 1.104,1263 2.007,1264 1.573,1265 1.537,1266 1.727,1267 1.794,1268 0.889,1269 1.781,1270 1.454,1271 1.408,1272 1.651,1273 1.669,1274 0.656,1275 1.664,1276 1.229,1277 1.181,1278 1.576,1279 1.524,1280 0.575,1281 1.54,1282 1.192,1283 1.115,1284 1.553,1285 1.514,1286 0.569,1287 1.53,1288 1.166,1289 1.089,1290 1.533,1291 1.459,1292 0.554,1293 1.485,1294 1.068,1295 0.998,1296 1.238,1297 1.262,1298 0.32,1299 1.298,1300 4.078,1302 5.333,1304 6.774,1306 8.298,1308 9.864,1310 4.81,1315 1.3,1317 5.643,1318 15.612,1326 32.884,1327 84.145,1328 181.872,1329 223.977,1330 246.384,1331 253.894,1332 264.158,1333 56.96,1334 6.729,1335 68.82,1336 100.91,1337 12,1338 12.013,1339 4,1340 3.322,1341 62.593,1342 143,1343 140,1344 0.206,1345 211.781,1346 377.25,1347 508.505,1348 7857,1350 20.355,1351 0.727,1352 0.606,1353 20.855,1354 16.968,1355 13.55,1356 0.467,1357 0.313,1358 8.532,1359 12.63,1360 8.201,1361 6.913,1362 13.838,1363 9.081,1364 11.265,1365 0.304,1366 0.168,1367 11.673,1368 6.199,1369 9.023,1370 0.205,1371 0.095,1372 9.285,1373 4.173,1374 6.85,1375 0.137,1376 0.053,1377 7.153,1378 2.644,1379 5.046,1380 0.089,1381 0.029,1382 5.164,1383 1.636,1384 0.343,1385 88.97,1386 0.231,1387 27.901,1388 0.516,1389 132,1390 450.468,1391 160.604,1392 444.827,1393 585.55,1394 416,1395 147,1396 392.588,1397 168.925,1398 408.822,1399 580.86,1400 378,1401 4.865}
{0 CHEMBL1458565,1 1.878,2 12.462,3 4.912,4 24.126,5 150.159,6 9.205,7 0.381,8 4.269,9 4.356,10 4.062,11 3.852,12 5.467,13 3.821,14 4.794,15 4.937,16 4.485,17 4.226,18 6.009,19 4.182,20 4.948,21 5.072,22 4.616,23 4.351,24 6.21,25 4.298,26 5.073,27 5.212,28 4.695,29 4.385,30 6.423,31 4.33,32 5.035,33 5.154,34 4.639,35 4.411,36 6.371,37 4.34,38 5.113,39 5.25,40 4.692,41 4.459,42 6.527,43 4.368,44 5.194,45 5.389,46 4.504,47 4.364,48 6.488,49 4.28,50 5.129,51 5.319,52 4.422,53 4.302,54 6.364,55 4.214,56 0.175,57 0.925,58 9.414,59 6.036,60 13.546,61 6.357,62 0.706,63 1.516,64 26.63,65 10.248,66 45.242,67 11.116,68 0.735,69 1.691,70 31.731,71 12.565,72 66.257,73 12.424,74 1.007,75 1.902,76 43.107,77 14.882,78 108.837,79 13.812,80 1.134,81 1.859,82 41.972,83 14.867,84 114.441,85 12.88,86 1.116,87 1.947,88 39.202,89 15.638,90 140.003,91 16.186,92 1.301,93 2.026,94 49.976,95 16.394,96 165.943,97 17.636,98 1.296,99 1.803,100 49.564,101 15.558,102 141.665,103 16.311,104 91,105 60,106 0.297,107 0.662,108 0.834,109 0.867,110 0.867,111 0.867,112 3.693,113 0.997,114 -3.56,115 -3.54,116 -3.37,120 40.6,121 2,125 2,126 3,143 5,144 3,145 2,152 1,153 2,154 1,159 4,160 1,174 5,176 4,177 11,180 1,182 2,185 8,188 1,189 11,194 2,197 3,200 1,201 19,204 2,206 1,209 4,213 4,214 5,217 4,222 6,226 6,227 6,232 1,235 8,239 3,240 10,243 1,245 2,247 4,251 1,252 9,255 1,257 2,260 2,263 4,264 8,269 3,271 6,274 2935,275 25.714,276 25.714,277 25.714,278 25.714,279 25.714,280 23.078,281 33.775,282 14.973,283 26.627,284 20.624,285 20.624,286 20.624,287 20.624,288 20.624,289 16.308,290 43.358,291 7.001,292 22.036,293 4.122,294 1.815,295 0.729,296 0.516,297 0.516,298 0.516,299 4.378,303 1,307 1,308 1027,309 4.848,312 214.184,313 238.175,317 201.8,320 1.684,321 62.148,324 0.75,325 0.5,326 0.67,327 0.7,328 0.5,329 0.67,330 1,331 0.68,332 86.333,333 486,334 4.637,335 4.58,336 6.94,337 4.239,338 3.285,339 4.352,340 3.87,341 11.615,342 3.132,343 4.521,344 3.797,345 6.779,346 4.173,347 3.218,348 4.114,349 1.982,350 11.089,351 3.088,352 3.997,353 3.751,354 6.247,355 3.699,356 2.729,357 3.501,358 1.674,359 8.998,360 2.634,361 3.986,362 3.63,363 6.024,364 3.621,365 2.665,366 3.289,367 1.209,368 8.587,369 2.568,370 3.82,371 3.521,372 5.372,373 3.403,374 2.447,375 3.22,376 1.2,377 6.921,378 2.325,379 3.68,380 2.991,381 5.309,382 3.328,383 2.36,384 2.903,385 0.717,386 6.669,387 2.249,388 3.55,389 2.893,390 5.291,391 3.073,392 2.159,393 2.786,394 0.491,395 6.476,396 1.943,397 3.385,398 2.807,399 5.224,400 3.018,401 2.08,402 2.534,403 0.293,404 5.806,405 1.932,406 3.271,407 2.685,408 4.885,409 2.837,410 1.928,411 2.467,412 0.146,413 5.49,414 1.672,415 3.06,416 2.421,417 4.755,418 2.659,419 1.733,420 2.195,422 4.987,423 1.571,424 2.677,425 2.099,426 4.379,427 2.284,428 1.387,429 1.728,431 3.66,432 1.242,433 2.633,434 1.964,435 4.093,436 2.255,437 1.293,438 1.646,440 3.316,441 1.218,442 2.607,443 1.813,444 3.626,445 2.122,446 1.138,447 1.616,449 2.64,450 1.098,451 2.152,452 1.753,453 3.402,454 1.913,455 0.948,456 1.043,458 1.742,459 0.898,460 2.118,461 1.494,462 3.288,463 1.618,464 0.692,465 0.927,467 1.656,468 0.618,469 18.981,470 0.487,471 1.159,472 0.03,473 48.25,474 1.237,475 22.5,476 0.577,477 25.75,478 0.66,479 41.902,480 1.074,481 42.219,482 0.66,483 43.393,484 1.113,485 9.399,486 0.241,487 9.2,488 0.236,489 0.213,491 0.385,496 0.719,497 1.324,498 0.637,499 0.945,500 0.553,501 0.893,502 0.753,503 0.958,504 0.759,505 0.833,506 0.556,507 0.712,508 1.12,509 1.221,510 0.972,511 1.069,512 1.049,513 0.955,514 1.185,515 1.195,516 1.121,517 1.209,518 1.402,519 0.964,520 1.265,521 0.925,522 1.233,523 1.105,524 1.404,525 0.983,526 0.721,527 1.251,528 0.935,529 1.196,530 0.842,531 1.19,532 1.033,533 1.002,534 0.947,535 1.013,536 1.012,537 0.971,538 1.32,539 0.911,540 1.094,541 0.896,542 1.343,543 0.92,544 8.5,545 0.379,546 4.889,547 3.889,548 3.029,549 1.872,550 1.238,551 0.686,552 0.505,553 0.393,554 22662,555 78060,556 1.992,557 39.1,558 3,559 17,560 1,562 1,564 3,567 1.798,568 1.814,569 3.606,570 -0.281,575 120.182,576 1.878,577 4.185,578 5.271,579 5.484,580 5.484,581 5.484,582 2.835,583 5.08,584 5.261,585 3.828,586 2836.75,587 9.301,588 48655.1,593 384,594 1.549,595 5.186,596 0.202,597 0.008,598 0.081,599 0.061,600 0.046,601 0.029,602 0.019,603 0.012,604 0.01,605 0.008,606 0.477,607 0.33,608 0.75,609 1.199,610 217.428,611 -0.06,612 -0.2,613 0.042,614 -0.028,615 -0.048,616 -0.015,617 0.094,618 0.152,619 0.139,620 0.162,621 0.073,622 0.218,623 -0.134,624 -0.16,625 0.007,626 -0.039,627 -0.108,628 -0.026,629 -0.091,630 -0.096,631 -0.02,632 -0.088,633 -0.111,634 -0.023,635 -0.121,636 0.197,637 -0.175,638 0.024,639 -0.154,640 -0.072,641 0.21,642 -0.209,643 0.007,644 -0.166,645 0.195,646 -0.237,647 -0.005,648 -0.014,649 0.007,650 -0.019,651 0.061,652 0.022,653 -0.169,654 0.023,655 -0.047,656 0.085,657 -0.143,658 0.076,659 2.299,660 6.301,661 0.513,662 41.993,663 1.024,664 1.119,665 2.332,666 5.436,667 0.707,668 3.761,669 4.111,670 4.394,671 4.673,672 4.86,673 5.017,674 5.106,675 5.153,676 5.198,677 5.187,678 8.046,679 0.678,680 589.14,681 3.761,682 5.323,683 6.184,684 7.079,685 7.963,686 8.866,687 9.76,688 10.667,689 11.565,690 12.474,691 6.3,698 3,700 1,709 6,712 1,713 1,714 8,716 16,724 2,726 1,737 1,738 64,739 21,740 1,741 42,743 67,744 26,745 14,746 3,747 3,748 4,752 4,753 5,754 1,759 2,768 19,769 7,772 5,778 4,781 1,782 5,788 1,789 25,790 10,791 1,792 13,793 3,797 4,803 0.75,804 6,822 2,823 2,827 1,838 1,855 3,856 1,857 2,859 4,860 1,862 39,869 3,871 1,872 1,873 1,875 2,880 1,885 1,886 9.4,889 4,891 2,893 21.5,894 13.076,895 8.611,896 3.695,898 3.239,899 1.396,900 0.963,901 9.54,902 11.41,903 4.025,904 4.605,905 5.159,906 5.707,907 6.081,908 6.416,909 6.654,910 6.842,911 7.096,912 7.256,913 0.875,914 64,915 14.558,917 6.301,918 8.024,919 26.766,921 21.438,924 2.524,925 98.444,929 282.506,930 210.208,931 41.045,932 39.149,933 121.087,935 63.497,936 146.711,937 442.742,938 41.045,939 34.443,940 31.857,941 59.121,942 121.885,943 54.036,944 19.271,945 334.233,946 39.149,947 282.506,948 187.756,949 121.087,950 102.646,952 247.193,953 156.4,956 67.223,957 120.533,958 39.149,959 63.497,960 282.506,961 162.132,962 249.357,965 282.506,966 116.644,967 99.813,968 18.011,969 177.021,970 282.506,971 162.132,972 249.357,973 0.586,974 0.347,975 0.189,976 0.101,977 27,978 15,979 0.149,980 10,981 1,982 1.1,983 4.632,984 387.782,985 0.1,986 20,987 202.131,989 2,993 29.336,994 12.682,995 6.572,997 162.132,998 9.771,1001 5.418,1002 1.007,1003 2.861,1005 18.011,1006 693.995,1007 55,1013 51.67,1016 4.585,1017 -1.397,1020 65.567,1021 71.601,1022 0.313,1023 0.697,1024 0.879,1025 0.914,1026 0.914,1027 0.914,1028 5.288,1029 2.08,1030 6.196,1031 6.476,1032 4.796,1033 5.293,1034 3.902,1035 7.048,1036 4.678,1037 6.509,1038 1.928,1039 7.789,1040 5.806,1041 4.511,1042 5.198,1043 2.49,1044 8.036,1045 4.358,1046 7.83,1047 1.733,1048 9.481,1049 5.49,1050 6.431,1051 7.455,1052 6.134,1053 11.17,1054 6.223,1055 9.186,1056 1.387,1057 11.231,1058 4.987,1059 6.948,1060 8.175,1061 5.199,1062 12.983,1063 6.714,1064 10.574,1065 1.293,1066 13.018,1067 3.66,1068 8.368,1069 9.925,1070 8.723,1071 15.657,1072 8.083,1073 11.984,1074 1.138,1075 14.832,1076 3.316,1077 9.242,1078 11.019,1079 8.083,1080 17.82,1081 8.927,1082 13.412,1083 0.948,1084 16.665,1085 2.64,1086 10.487,1087 12.579,1088 11.379,1089 20.338,1090 10.125,1091 3.285,1092 0.692,1093 18.514,1094 1.742,1095 11.523,1096 13.856,1097 10.977,1098 22.653,1099 11.124,1100 3.218,1101 11.615,1102 20.375,1103 1.656,1104 12.709,1105 15.343,1106 14.05,1107 25.114,1108 12.265,1109 2.729,1110 11.089,1111 22.247,1112 4.352,1113 13.819,1114 16.708,1115 13.842,1116 27.495,1117 13.332,1118 2.665,1119 8.998,1120 24.127,1121 4.114,1122 14.989,1123 18.169,1124 16.725,1125 29.937,1126 14.458,1127 2.447,1128 8.587,1129 26.014,1130 3.501,1131 16.132,1132 19.578,1133 16.678,1134 32.348,1135 15.557,1136 2.36,1137 6.921,1138 27.908,1139 3.289,1140 17.3,1141 21.03,1142 19.402,1143 34.784,1144 16.68,1145 2.159,1146 6.669,1147 29.806,1148 3.22,1149 18.46,1150 22.461,1151 19.491,1152 37.209,1153 17.795,1154 22054,1155 41149,1156 26.876,1157 45.278,1158 64.619,1159 69.567,1160 66.542,1161 63.276,1162 63.089,1163 80.633,1164 23.165,1165 186.116,1166 59.17,1167 5.594,1168 6.58,1169 6.709,1170 5.406,1171 5.285,1172 7.352,1173 7.591,1174 19.157,1175 5.132,1176 25.684,1177 1.539,1178 1.656,1179 1.584,1180 1.507,1181 1.502,1182 1.92,1183 0.552,1184 4.431,1185 1.409,1186 4.027,1187 4.045,1188 4.284,1189 3.99,1190 7.437,1191 3.947,1192 3.966,1193 3.971,1194 4.091,1195 3.912,1196 7.428,1197 3.902,1198 3.87,1199 3.881,1200 3.885,1201 3.73,1202 7.426,1203 3.747,1204 3.605,1205 3.663,1206 3.811,1207 3.487,1208 7.425,1209 3.438,1210 3.561,1211 3.592,1212 3.533,1213 3.329,1214 5.076,1215 3.354,1216 3.483,1217 3.544,1218 3.491,1219 3.273,1220 4.953,1221 3.272,1222 3.418,1223 3.458,1224 3.409,1225 3.211,1226 4.606,1227 3.233,1228 3.113,1229 3.165,1230 3.207,1231 2.941,1232 4.569,1233 2.917,1234 0.11,1235 0.109,1236 0.165,1237 0.101,1238 0.078,1239 4.637,1240 0.104,1241 4.58,1242 0.092,1243 6.94,1244 0.277,1245 4.239,1246 0.075,1247 3.285,1248 4.352,1249 3.87,1250 11.615,1251 3.132,1252 1.932,1253 1.913,1254 1.981,1255 2.037,1256 1.124,1257 2.026,1258 1.706,1259 1.687,1260 1.847,1261 1.878,1262 0.99,1263 1.866,1264 1.605,1265 1.583,1266 1.801,1267 1.816,1268 0.939,1269 1.807,1270 1.578,1271 1.547,1272 1.743,1273 1.751,1274 0.932,1275 1.751,1276 1.479,1277 1.433,1278 1.737,1279 1.714,1280 0.863,1281 1.72,1282 1.432,1283 1.37,1284 1.603,1285 1.633,1286 0.816,1287 1.66,1288 1.389,1289 1.344,1290 1.566,1291 1.586,1292 0.608,1293 1.587,1294 1.263,1295 1.241,1296 1.417,1297 1.425,1298 0.58,1299 1.423,1300 4.443,1302 5.784,1303 3.045,1304 7.306,1305 5.352,1306 8.921,1307 7.413,1308 10.591,1310 6.52,1311 6.117,1315 0.125,1317 2.733,1318 5.162,1319 1.046,1321 2.825,1326 43.371,1327 120.182,1328 267.822,1329 337.371,1330 350.98,1331 350.98,1332 350.98,1333 118.076,1334 8.171,1335 123.74,1336 177.28,1337 22,1338 12.992,1339 4.459,1340 3.807,1341 70.134,1342 193,1343 164,1344 0.177,1345 277.218,1346 493.51,1347 668.173,1348 43854,1349 1.6,1350 28.267,1351 0.725,1352 0.614,1353 29.474,1354 23.96,1355 18.599,1356 0.443,1357 0.332,1358 11.75,1359 16.562,1360 11.157,1361 9.264,1362 19.751,1363 13.955,1364 17.131,1365 0.286,1366 0.182,1367 18.705,1368 10.943,1369 14.21,1370 0.178,1371 0.1,1372 16.101,1373 7.995,1374 11.807,1375 0.111,1376 0.056,1377 13.875,1378 5.93,1379 8.711,1380 0.068,1381 0.031,1382 10.611,1383 3.98,1384 0.278,1385 129.62,1386 0.193,1387 34.91,1388 0.483,1389 204,1390 733.606,1391 293.806,1392 759.672,1393 1003.95,1394 706,1395 242,1396 665.731,1397 323.02,1398 706.039,1399 1041.34,1400 659,1401 5.135}
{0 CHEMBL1458726,1 1.862,2 7.313,3 3.142,4 9.872,5 67.534,6 9.436,7 0.375,8 3.358,9 3.457,10 3.181,11 3.04,12 4.599,13 2.959,14 3.824,15 3.984,16 3.482,17 3.349,18 4.98,19 3.244,20 3.973,21 4.102,22 3.573,23 3.449,24 5.281,25 3.354,26 4.115,27 4.327,28 3.468,29 3.497,30 5.2,31 3.355,32 4.114,33 4.304,34 3.386,35 3.442,36 5.323,37 3.273,38 4.08,39 4.319,40 3.241,41 3.183,42 5.334,43 2.993,44 3.694,45 3.994,46 2.74,47 2.687,48 4.893,49 2.407,50 2.194,51 2.234,52 2.559,53 1.889,54 3.901,55 1.721,56 0.036,57 0.366,58 3.819,59 2.408,60 7.165,61 2.81,62 0.156,63 0.548,64 11.701,65 4.312,66 21.626,67 5.223,68 0.25,69 0.646,70 11.381,71 4.751,72 34.69,73 5.038,74 0.189,75 0.743,76 14.056,77 5.557,78 24.772,79 6.752,80 0.151,81 0.727,82 19.111,83 6.835,84 24.816,85 7.527,86 0.305,87 0.588,88 17.831,89 6.079,90 63.105,91 6.767,92 0.336,93 0.374,94 24.175,95 4.632,96 58.95,97 5.175,98 0.042,99 0.103,100 7.239,101 1.32,102 8.52,103 0.798,104 35,105 21,106 0.369,107 0.708,108 0.755,109 0.755,110 0.755,111 0.755,112 2.852,113 1.118,114 -4.19,115 -4.13,116 -3.9,120 40.7,121 2,126 1,143 2,144 2,145 2,159 2,174 4,177 1,180 1,182 2,185 6,189 1,194 5,197 6,201 4,209 5,214 6,219 1,222 2,227 2,235 4,240 1,243 1,260 1,263 1,274 262,275 10.447,276 10.447,277 10.447,278 10.447,279 10.447,280 9.256,281 11.841,282 6.276,283 10.906,284 7.771,285 7.771,286 7.771,287 7.771,288 7.771,289 5.895,290 11.848,291 2.817,292 8.404,293 2.893,294 1.185,295 0.945,296 0.945,297 0.945,298 0.945,299 3.469,300 1,306 1,307 1,308 224,309 3,313 56.144,320 1.477,321 16.655,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 34.333,333 117,334 4.401,335 4.705,336 6.44,337 4.014,338 3.036,339 4.085,340 4.396,341 9.884,342 2.966,343 3.721,344 3.714,345 5.317,346 3.321,347 2.376,348 2.976,349 2.092,350 6.859,351 2.241,352 3.532,353 3.632,354 4.926,355 3.052,356 2.114,357 2.67,358 0.466,359 5.632,360 1.933,361 3.282,362 3.023,363 4.879,364 2.879,365 1.879,366 2.481,368 5.225,369 1.879,370 3.232,371 2.147,372 3.524,373 1.95,374 1.115,375 1.784,377 2.16,378 0.91,379 1.84,380 2.031,381 2.989,382 1.523,383 0.647,384 0.713,386 1.277,387 0.533,388 1.475,389 1.903,390 2.653,391 0.93,392 0.195,393 0.228,395 0.277,396 0.114,397 1.149,398 1.259,399 2.434,400 0.653,401 -0.347,402 -0.445,404 -0.686,405 -0.347,406 1,407 0.45,408 1.828,409 0.458,410 -0.415,411 -0.606,413 -0.898,414 -0.353,415 0.589,416 0.12,417 1.602,418 0.215,419 -0.805,420 -1,422 -2.024,423 -0.796,424 0.124,425 -0.11,426 1.468,427 -0.239,428 -1.173,429 -1.66,431 -2.627,432 -1.035,433 -0.22,434 -0.527,435 1.176,436 -0.532,437 -1.408,438 -1.745,440 -3.155,441 -1.265,442 -0.232,443 -1.134,444 1.081,445 -0.55,446 -1.532,447 -2.036,449 -4.493,450 -1.499,451 -0.5,452 -1.357,453 1,454 -0.936,455 -1.776,456 -2.072,457 -0.891,458 -4.751,459 -1.532,460 -0.593,461 -1.558,462 0.449,463 -1,464 -1.906,465 -2.371,466 -1.668,467 -5.845,468 -1.75,469 8.181,470 0.511,471 0.421,472 0.026,473 20.75,474 1.297,475 11.5,476 0.719,477 9.25,478 0.578,479 11.823,480 0.739,481 17.019,482 0.63,483 12.368,484 0.773,485 3.946,486 0.247,487 3.633,488 0.227,489 0.299,491 0.306,496 0.626,497 1.061,498 0.625,499 0.794,500 0.507,501 0.832,502 0.617,503 0.918,504 0.802,505 0.843,506 0.527,507 0.807,508 0.885,509 1.179,510 0.875,511 1.107,512 0.851,513 1.115,514 0.761,515 0.861,516 0.713,517 0.777,518 0.528,519 0.937,520 0.748,521 1.364,522 1.109,523 1.474,524 0.848,525 1.303,526 1.517,527 0.985,528 0.864,529 0.791,530 1.617,531 0.972,532 1.629,533 0.302,534 1.942,535 0.951,536 1.637,537 0.87,538 1.752,539 1.881,540 1.859,541 2.153,542 2.303,543 1.122,544 4,546 1.778,547 1.25,548 1.244,549 0.486,550 0.222,551 0.09,552 0.049,553 0.02,554 1590,555 7316,556 1.828,557 40.7,558 6,559 4,562 1,567 1.553,568 1.655,569 2.849,570 -0.168,574 1,575 50.274,576 1.862,577 3.57,578 3.81,579 3.81,580 3.81,581 3.81,582 2.477,583 3.453,584 3.963,585 2.968,586 356.137,587 6.691,588 3071,590 1,592 1,593 128.382,594 1.579,595 3.882,596 0.25,598 0.085,599 0.057,600 0.062,601 0.029,602 0.02,603 0.018,604 0.012,605 0.007,606 0.54,607 0.83,608 1,609 1.774,610 64.388,611 -0.054,612 0.006,613 0.019,614 0.061,615 -0.006,616 0.024,617 0.127,618 0.054,619 0.059,620 0.082,621 0.053,622 0.143,623 0.052,624 -0.148,625 -0.132,626 -0.213,627 -0.024,628 -0.25,629 -0.09,630 0.132,631 0.004,632 0.079,633 0.014,634 0.005,635 0.002,636 -0.403,637 -0.181,638 -0.406,639 0.003,640 -0.301,641 -0.2,642 -0.178,643 0.078,644 0.13,645 -0.214,646 0.036,647 -0.226,648 0.541,649 -0.205,650 0.151,651 -0.297,652 0.257,653 -0.134,654 -0.489,655 0.37,656 -0.201,657 -0.171,658 -0.124,659 1.895,660 4.196,661 0.375,662 10.969,663 1.013,664 1.117,665 2.958,666 8.749,667 0.733,668 2.833,669 3.091,670 3.258,671 3.434,672 3.555,673 3.466,674 3.219,675 3.045,676 2.565,677 1.609,678 4.362,679 0.682,680 254.76,681 2.833,682 4.317,683 5.118,684 5.969,685 6.799,686 7.659,687 8.5,688 9.362,689 10.208,690 11.072,691 7.4,698 1,700 1,709 2,714 4,716 6,736 1,738 27,739 8,740 1,741 16,743 27,744 11,745 6,746 4,747 2,750 1,752 1,753 1,754 1,759 3,767 1,768 7,769 3,772 1,778 1,782 1,786 1,789 11,790 3,791 1,792 5,793 2,797 2,803 1,804 1,823 1,838 1,855 1,857 1,859 2,860 1,862 16,869 1,871 1,873 1,877 1,882 1,884 1,885 1,886 3.7,889 1,893 9.667,894 5.593,895 3.806,896 1.455,898 1.526,899 1.28,900 0.916,901 4.818,902 6.981,903 3.135,904 3.624,905 4.047,906 4.566,907 5.016,908 5.149,909 5.144,910 5.273,911 4.862,912 3.596,913 1,914 22,915 5.837,917 2.295,918 8.111,919 10.801,921 8.091,924 2.611,925 41.778,926 0.001,929 117.711,930 102.022,931 49.07,932 39.149,933 25.145,935 32.22,936 69.803,937 182.005,938 49.07,939 17.65,940 20.86,941 18.952,942 44.816,943 41.738,945 189.079,947 117.711,948 118.873,949 25.145,950 71.368,952 117.711,953 25.145,956 69.57,957 49.303,958 39.149,959 32.22,960 117.711,961 74.215,962 141.171,965 117.711,966 50.452,967 36.603,968 32.978,969 95.353,970 117.711,971 74.215,972 141.171,973 0.56,974 0.325,975 0.169,976 0.095,977 8,978 5,979 0.074,980 2,982 1,983 2.693,984 97.105,986 6,987 58,989 1,993 13.054,994 5.905,995 3.514,997 74.215,998 3.732,1003 3.502,1005 18.011,1006 333.097,1007 22,1013 11.196,1017 -0.228,1020 27.349,1021 30.146,1022 0.392,1023 0.751,1024 0.801,1025 0.801,1026 0.801,1027 0.801,1028 4.35,1029 -0.347,1030 5.106,1031 0.277,1032 3.761,1033 4.304,1034 3.867,1035 5.878,1036 3.649,1037 5.569,1038 -0.415,1039 6.653,1040 -0.686,1041 3.434,1042 4.205,1043 1.593,1044 6.742,1045 3.37,1046 6.876,1047 -0.805,1048 8.299,1049 -0.898,1050 5.313,1051 6.435,1052 6.653,1053 9.796,1054 5.141,1055 8.211,1056 -1.173,1057 10,1058 -2.024,1059 5.74,1060 7.089,1061 3.32,1062 11.437,1063 5.595,1064 9.568,1065 -1.408,1066 11.736,1067 -2.627,1068 7.144,1069 8.864,1070 9.584,1071 14.04,1072 6.936,1073 10.944,1074 -1.532,1075 13.495,1076 -3.155,1077 7.928,1078 9.885,1079 4.943,1080 16.034,1081 7.727,1082 12.334,1083 -1.776,1084 15.274,1085 -4.493,1086 9.146,1087 11.473,1088 12.54,1089 18.461,1090 8.908,1091 3.036,1092 -1.906,1093 17.067,1094 -4.751,1095 10.102,1096 12.682,1097 6.506,1098 20.618,1099 9.858,1100 2.376,1101 9.884,1102 18.873,1103 -5.845,1104 11.249,1105 14.182,1106 15.5,1107 22.97,1108 10.979,1109 2.114,1110 6.859,1111 20.689,1112 4.085,1113 12.287,1114 15.487,1115 8.035,1116 25.2,1117 12.004,1118 1.879,1119 5.632,1120 22.513,1121 2.976,1122 13.406,1123 16.943,1124 18.461,1125 27.519,1126 13.102,1127 1.115,1128 5.225,1129 24.344,1130 2.67,1131 14.482,1132 18.297,1133 9.544,1134 29.782,1135 14.16,1136 0.647,1137 2.16,1138 26.182,1139 2.481,1140 15.593,1141 19.73,1142 21.422,1143 32.086,1144 15.251,1145 0.195,1146 1.277,1147 28.024,1148 1.784,1149 16.687,1150 21.109,1151 11.04,1152 34.364,1153 16.324,1154 1801,1155 3920,1156 9.652,1157 19.779,1158 23.718,1159 28.529,1160 24.705,1161 22.476,1162 22.725,1163 29.872,1164 13.908,1165 62.628,1166 21.153,1167 5.202,1168 6.705,1169 6.207,1170 5.051,1171 5.036,1172 7.085,1173 8.791,1174 16.718,1175 4.966,1176 10.255,1177 1.482,1178 1.783,1179 1.544,1180 1.405,1181 1.42,1182 1.867,1183 0.869,1184 3.914,1185 1.322,1186 3.964,1187 3.989,1188 4.05,1189 3.922,1190 7.429,1191 3.905,1192 3.541,1193 3.566,1194 3.811,1195 3.369,1196 6.817,1197 3.364,1198 3.266,1199 3.35,1200 3.597,1201 3.221,1202 4.724,1203 3.152,1204 3.259,1205 3.29,1206 3.067,1207 3.125,1208 4.646,1209 3.101,1210 2.939,1211 3.025,1212 3.064,1213 2.753,1214 3.966,1215 2.756,1216 2.788,1217 2.886,1218 2.777,1219 2.516,1220 3.889,1221 2.503,1222 2.429,1223 2.537,1224 2.348,1225 2.229,1226 3.615,1227 2.191,1228 2.346,1229 2.351,1230 2.136,1231 2.081,1232 3.085,1233 2.09,1234 0.275,1235 0.294,1236 0.402,1237 0.251,1238 0.19,1239 4.401,1240 0.255,1241 4.705,1242 0.275,1243 6.44,1244 0.618,1245 4.014,1246 0.185,1247 3.036,1248 4.085,1249 4.396,1250 9.884,1251 2.966,1252 1.938,1253 1.917,1254 2.027,1255 2.017,1256 1.204,1257 2.028,1258 1.431,1259 1.403,1260 1.639,1261 1.66,1262 0.738,1263 1.65,1264 1.303,1265 1.226,1266 1.566,1267 1.507,1268 0.719,1269 1.557,1270 1.187,1271 1.161,1272 1.386,1273 1.32,1274 0.499,1275 1.368,1276 0.907,1277 0.832,1278 1.021,1279 1.148,1280 0.1,1281 1.149,1282 0.714,1283 0.619,1284 0.896,1285 1.028,1287 1.038,1288 0.477,1289 0.374,1290 0.879,1291 0.726,1293 0.784,1294 0.192,1295 0.169,1296 0.371,1297 0.515,1299 0.46,1300 3.497,1302 4.762,1304 6.229,1306 7.799,1308 9.426,1310 3.774,1311 5.428,1315 -0.062,1317 2.734,1319 1.104,1324 8.58,1325 2.018,1326 18.406,1327 50.274,1328 96.382,1329 102.872,1330 102.872,1331 102.872,1332 102.872,1333 32.542,1334 5.455,1335 52.89,1336 78.19,1337 6,1338 11.624,1339 3.17,1340 2.807,1341 34.42,1342 41,1343 44,1344 0.444,1345 128.377,1346 224.27,1347 305,1348 1085,1349 3.7,1350 12.129,1351 0.758,1352 0.661,1353 12.983,1354 10.576,1355 7.579,1356 0.474,1357 0.373,1358 4.687,1359 6.555,1360 4.321,1361 3.653,1362 8.387,1363 5.963,1364 6.494,1365 0.309,1366 0.211,1367 7.381,1368 4.433,1369 4.94,1370 0.198,1371 0.114,1372 5.804,1373 2.861,1374 3.798,1375 0.127,1376 0.068,1377 4.466,1378 2.049,1379 2.77,1380 0.081,1381 0.035,1382 3.294,1383 1.199,1384 0.666,1385 55.243,1386 0.322,1387 16.123,1388 1.297,1389 74,1390 260.777,1391 113.417,1392 306.32,1393 386.86,1394 282,1395 83,1396 224.473,1397 111.138,1398 254.799,1399 358.58,1400 234,1401 5.224}
{0 CHEMBL1458812,1 1.798,2 6.667,3 2.585,4 6.682,5 79.41,6 8.753,7 0.455,8 3.656,9 3.748,10 3.4,11 3.243,12 4.915,13 3.203,14 4.166,15 4.306,16 3.812,17 3.63,18 5.522,19 3.57,20 4.371,21 4.513,22 3.786,23 3.755,24 5.578,25 3.674,26 4.4,27 4.531,28 3.959,29 3.802,30 5.66,31 3.739,32 4.522,33 4.702,34 3.857,35 3.776,36 5.788,37 3.703,38 4.554,39 4.73,40 3.878,41 3.653,42 6.126,43 3.606,44 4.413,45 4.626,46 3.326,47 3.343,48 5.794,49 3.274,50 4.025,51 4.24,52 2.999,53 2.805,54 5.845,55 2.796,56 0.15,57 0.505,58 5.713,59 3.371,60 9.807,61 3.757,62 0.337,63 0.807,64 14.133,65 5.979,66 50.613,67 6.593,68 0.477,69 0.96,70 21.377,71 7.437,72 83.42,73 7.416,74 0.35,75 0.995,76 17.73,77 7.365,78 54.154,79 7.837,80 0.454,81 1.058,82 20.021,83 8.135,84 61.102,85 9.399,86 0.794,87 1.009,88 24.065,89 8.036,90 122.902,91 8.867,92 0.668,93 0.817,94 24.329,95 7.006,96 102.885,97 7.628,98 0.655,99 0.493,100 14.289,101 4.123,102 128.231,103 4.892,104 51,105 31,106 0.327,107 0.652,108 0.78,109 0.853,110 0.864,111 0.864,112 3.104,113 0.979,114 -3.04,115 -3.04,116 -2.93,120 40,121 2,126 1,128 1,143 4,144 2,152 1,153 1,159 2,167 2,174 5,176 2,177 7,185 7,189 4,197 5,201 11,209 6,213 2,214 7,222 5,226 5,227 10,235 4,239 1,240 8,247 2,251 3,252 7,260 2,274 574,275 13.483,276 13.483,277 13.483,278 13.483,279 13.483,280 11.617,281 12.478,282 8.004,283 13.762,284 10.877,285 10.877,286 10.877,287 10.877,288 10.877,289 8.044,290 13.565,291 3.796,292 11.325,293 3.332,294 1.547,295 0.843,296 0.443,297 0.386,298 0.386,299 3.755,305 1,306 1,307 1,308 279,309 4,312 44.878,313 54.11,316 84.072,320 1.048,321 33.489,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47,333 140,334 4.697,335 4.783,336 6.914,337 4.25,338 3.283,339 4.642,340 4.654,341 11.642,342 3.175,343 3.964,344 3.773,345 6.145,346 3.622,347 2.69,348 3.387,349 2.612,350 8.88,351 2.507,352 3.763,353 3.672,354 5.518,355 3.28,356 2.296,357 3.167,358 1.886,359 6.871,360 2.241,361 3.609,362 3.522,363 4.838,364 3.073,365 2.115,366 2.897,367 1.369,368 5.21,369 1.989,370 3.394,371 2.923,372 4.618,373 2.931,374 1.943,375 2.635,377 5.051,378 1.901,379 2.936,380 2,381 4.231,382 2.431,383 1.423,384 2.08,386 3.586,387 1.426,388 2.784,389 1.776,390 3.877,391 2.339,392 1.356,393 1.857,395 3.149,396 1.321,397 2.463,398 1.492,399 3.575,400 1.975,401 1,402 1.401,404 2.572,405 0.965,406 2.014,407 1.181,408 3.248,409 1.542,410 0.559,411 0.783,413 1.4,414 0.544,415 1,416 1,417 2.449,418 0.642,419 -0.254,420 -0.287,422 -0.661,423 -0.222,424 1,425 0.905,426 2.382,427 0.257,428 -0.709,429 -0.906,431 -1.876,432 -0.676,433 0.717,434 0.552,435 2.216,436 0.199,437 -0.796,438 -1.085,440 -2,441 -0.79,442 0.699,443 0.292,444 2,445 0.101,446 -1,447 -1.268,449 -2,450 -0.94,451 0.502,452 0.09,453 1.84,454 0.095,455 -1,456 -1.358,458 -2,459 -1,460 0.419,461 -0.404,462 1.423,464 -1,465 -1.499,467 -2.022,468 -1.088,469 9.967,470 0.475,471 0.689,472 0.033,473 27,474 1.286,475 14,476 0.667,477 13,478 0.619,479 16.485,480 0.785,481 23.033,482 0.658,483 19.847,484 0.945,485 5.263,486 0.251,487 4.633,488 0.221,489 0.234,491 0.381,496 0.4,497 1.134,498 0.671,499 0.915,500 0.492,501 0.923,502 0.486,503 1.034,504 0.826,505 0.995,506 0.434,507 0.867,508 1.14,509 1.01,510 1.447,511 1.152,512 1.061,513 1.012,514 0.816,515 1.272,516 0.986,517 1.244,518 0.81,519 1.14,520 0.796,521 1.103,522 0.868,523 1.048,524 0.775,525 1.086,526 0.967,527 1.065,528 0.963,529 1.072,530 1.027,531 1.033,532 1.434,533 0.947,534 1.242,535 1.044,536 1.428,537 1.038,538 1.23,539 0.745,540 0.733,541 0.705,542 1.177,543 0.881,544 5,546 2.222,547 2.014,548 1.477,549 0.952,550 0.75,551 0.382,552 0.082,554 3345,555 13489,556 1.915,557 40,559 7,560 1,563 6,567 1.643,568 1.726,569 2.774,570 -0.657,572 1,574 1,575 62.919,576 1.798,577 3.582,578 4.286,579 4.686,580 4.743,581 4.743,582 2.124,583 3.726,584 4.362,585 2.936,586 616.465,587 7.533,588 6591.57,589 1,590 1,592 1,593 179.525,594 1.575,595 4.277,596 0.227,598 0.072,599 0.065,600 0.043,601 0.03,602 0.025,603 0.021,604 0.007,606 0.49,607 0.33,608 1,609 1.659,610 92.428,611 0.166,612 0.011,613 0.064,614 0.061,615 -0.001,616 -0.003,617 0.177,618 0.063,619 0.152,620 0.079,621 0.17,622 0.116,623 -0.271,624 0.075,625 -0.305,626 0.005,627 -0.207,628 -0.035,629 -0.067,630 -0.211,631 -0.028,632 -0.188,633 -0.082,634 -0.174,636 -0.118,637 0.011,638 -0.115,639 -0.014,640 -0.109,641 0.154,642 -0.112,643 0.041,644 -0.119,645 0.106,646 -0.083,647 -0.225,648 -0.06,649 -0.189,650 -0.108,651 -0.188,652 -0.062,653 0.207,654 0.046,655 0.117,656 0.041,657 0.348,658 0.052,659 2.444,660 4.695,661 0.429,662 14.921,663 1.025,664 1.121,665 1.814,666 3.292,667 0.687,668 3.135,669 3.466,670 3.689,671 4.025,672 4.248,673 4.357,674 4.357,675 4.357,676 3.951,677 3.664,678 4.629,679 0.664,680 306.37,681 3.135,682 4.673,683 5.509,684 6.409,685 7.287,686 8.197,687 9.093,688 10.007,689 10.91,690 11.826,691 5.7,699 1,703 1,708 2,709 5,714 1,715 1,716 10,738 35,739 14,740 1,741 22,743 36,744 14,745 8,746 2,747 4,748 1,752 2,753 3,759 2,766 1,768 10,769 4,772 4,775 1,778 4,782 2,785 1,786 1,789 14,790 4,792 7,793 1,797 2,803 0.5,804 4,818 1,822 1,823 1,826 1,842 1,850 1,855 1,857 1,859 2,862 21,869 1,873 1,874 1,886 11.4,889 2,892 2,893 12.167,894 6.983,895 4.639,896 1.972,898 2.331,899 1.363,900 0.924,901 4.683,902 8.744,903 3.466,904 4.082,905 4.584,906 5.254,907 5.79,908 6.174,909 6.504,910 6.848,911 6.688,912 6.794,913 1,914 31,915 7.782,917 3.329,918 8.31,919 14.17,921 11.321,924 2.81,925 59,929 164.795,930 115.034,931 7.569,933 101.037,935 32.22,936 82.814,937 265.832,938 7.569,939 23.32,940 2.106,941 46.952,942 58.493,943 7.658,944 13.915,945 185.244,946 50.747,947 164.795,948 90.384,949 101.037,950 32.22,952 164.795,953 50.29,954 50.747,956 21.655,957 68.728,959 32.22,960 164.795,961 108.606,962 115.034,965 164.795,966 50.431,967 72.172,969 101.037,970 164.795,971 108.606,972 115.034,973 0.58,974 0.31,975 0.187,976 0.117,977 14,978 8,979 0.139,980 5,981 1,982 1.222,983 3.097,984 159.487,985 0.222,986 9,987 90.239,989 1,993 15.581,994 6.311,995 3.449,996 1.45,997 101.037,998 8.779,1003 0.637,1004 1.457,1006 388.435,1007 31,1010 -0.444,1013 44.744,1017 -0.369,1020 35.891,1021 39.245,1022 0.35,1023 0.698,1024 0.836,1025 0.914,1026 0.925,1027 0.925,1028 4.696,1029 1,1030 5.525,1031 3.149,1032 4.143,1033 4.766,1034 4.107,1035 6.372,1036 4.065,1037 5.934,1038 0.559,1039 7.107,1040 2.572,1041 3.892,1042 4.808,1043 3.771,1044 7.383,1045 3.782,1046 7.264,1047 -0.254,1048 8.794,1049 1.4,1050 5.753,1051 7.024,1052 6.752,1053 10.516,1054 5.587,1055 8.629,1056 -0.709,1057 10.543,1058 -0.661,1059 6.275,1060 7.869,1061 6.951,1062 12.384,1063 6.077,1064 10.025,1065 -0.796,1066 12.332,1067 -1.876,1068 7.693,1069 9.646,1070 9.668,1071 15.062,1072 7.452,1073 11.446,1074 -1,1075 14.151,1076 -2,1077 8.574,1078 10.868,1079 10.182,1080 17.278,1081 8.3,1082 12.887,1083 -1,1084 15.992,1085 -2,1086 9.828,1087 12.487,1088 12.652,1089 19.803,1090 9.521,1091 3.283,1092 -1,1093 17.85,1094 -2,1095 10.876,1096 13.886,1097 13.391,1098 22.159,1099 10.537,1100 2.69,1101 11.642,1102 19.721,1103 -2.022,1104 12.074,1105 15.448,1106 15.662,1107 24.632,1108 11.705,1109 2.296,1110 8.88,1111 21.602,1112 4.642,1113 13.196,1114 16.924,1115 16.57,1116 27.044,1117 12.796,1118 2.115,1119 6.871,1120 23.492,1121 3.387,1122 14.378,1123 18.467,1124 18.685,1125 29.502,1126 13.948,1127 1.943,1128 5.21,1129 25.388,1130 3.167,1131 15.533,1132 19.977,1133 19.723,1134 31.937,1135 15.073,1136 1.423,1137 5.051,1138 27.29,1139 2.897,1140 16.712,1141 21.514,1142 21.717,1143 34.39,1144 16.223,1145 1.356,1146 3.586,1147 29.196,1148 2.635,1149 17.884,1150 23.038,1151 22.857,1152 36.836,1153 17.363,1154 3563,1155 7238,1156 13.641,1157 24.046,1158 33.884,1159 36.515,1160 35.202,1161 33.377,1162 33.33,1163 45.696,1164 21.041,1165 96.723,1166 32.138,1167 5.518,1168 6.783,1169 6.592,1170 5.332,1171 5.283,1172 7.642,1173 8.815,1174 19.111,1175 5.175,1176 13.594,1177 1.54,1178 1.66,1179 1.6,1180 1.517,1181 1.515,1182 2.077,1183 0.956,1184 4.397,1185 1.461,1186 4.152,1187 4.18,1188 4.158,1189 4.069,1190 7.814,1191 4.073,1192 3.789,1193 3.823,1194 3.895,1195 3.584,1196 7.43,1197 3.553,1198 3.54,1199 3.582,1200 3.646,1201 3.356,1202 7.426,1203 3.37,1204 3.502,1205 3.522,1206 3.451,1207 3.252,1208 6.999,1209 3.276,1210 3.288,1211 3.335,1212 3.18,1213 3.084,1214 4.895,1215 3.11,1216 2.964,1217 3.032,1218 2.884,1219 2.782,1220 4.251,1221 2.777,1222 2.811,1223 2.871,1224 2.726,1225 2.631,1226 3.881,1227 2.613,1228 2.475,1229 2.522,1230 2.341,1231 2.274,1232 3.754,1233 2.255,1234 0.213,1235 0.217,1236 0.314,1237 0.193,1238 0.149,1239 4.697,1240 0.211,1241 4.783,1242 0.212,1243 6.914,1244 0.529,1245 4.25,1246 0.144,1247 3.283,1248 4.642,1249 4.654,1250 11.642,1251 3.175,1252 1.946,1253 1.925,1254 2.033,1255 2.039,1256 1.238,1257 2.034,1258 1.722,1259 1.689,1260 1.831,1261 1.989,1262 1.06,1263 1.931,1264 1.508,1265 1.466,1266 1.708,1267 1.794,1268 0.767,1269 1.759,1270 1.393,1271 1.35,1272 1.658,1273 1.641,1274 0.703,1275 1.658,1276 1.225,1277 1.176,1278 1.44,1279 1.464,1280 0.531,1281 1.472,1282 0.963,1283 0.9,1284 1.153,1285 1.195,1286 0.287,1287 1.201,1288 0.771,1289 0.711,1290 1.066,1291 0.985,1292 0.123,1293 1.014,1294 0.651,1295 0.602,1296 0.814,1297 0.909,1299 0.936,1300 3.807,1302 5.13,1303 2.398,1304 6.632,1305 4.844,1306 8.23,1307 7.066,1308 9.888,1310 2.804,1315 -0.365,1319 0.916,1320 -0.608,1326 23.25,1327 62.919,1328 125.386,1329 150.015,1330 164.015,1331 166.015,1332 166.015,1333 57.302,1334 6.413,1335 84.89,1336 110.19,1337 11,1338 12.34,1339 3.907,1340 3.322,1341 38.743,1342 56,1343 50,1344 0.348,1345 150.489,1346 261.43,1347 358.953,1348 3830,1350 15.569,1351 0.741,1352 0.592,1353 15.922,1354 12.423,1355 9.897,1356 0.45,1357 0.326,1358 6.277,1359 8.892,1360 5.989,1361 4.958,1362 10.305,1363 7.177,1364 9.439,1365 0.304,1366 0.193,1367 10.227,1368 5.984,1369 6.529,1370 0.167,1371 0.104,1372 7.151,1373 4.071,1374 5.881,1375 0.107,1376 0.058,1377 6.621,1378 3.17,1379 4.79,1380 0.069,1381 0.031,1382 5.375,1383 2.124,1384 0.513,1385 67.091,1386 0.271,1387 20.152,1388 1.063,1389 106,1390 407.093,1391 145.642,1392 403.409,1393 520.57,1394 370,1395 123,1396 350.207,1397 152.793,1398 358.771,1399 515.89,1400 336,1401 5.165}
{0 CHEMBL1459144,1 1.84,2 8.6,3 1.087,4 1.182,5 74.834,6 9.136,7 0.273,8 3.621,9 3.7,10 3.402,11 3.17,12 4.829,13 3.167,14 4.141,15 4.255,16 3.831,17 3.542,18 5.38,19 3.529,20 4.249,21 4.404,22 3.748,23 3.579,24 5.475,25 3.537,26 4.249,27 4.403,28 3.613,29 3.514,30 5.608,31 3.437,32 4.106,33 4.252,34 3.525,35 3.384,36 5.516,37 3.293,38 3.946,39 4.084,40 3.35,41 3.182,42 5.261,43 3.134,44 3.773,45 3.906,46 3.303,47 2.992,48 5.146,49 2.988,50 3.728,51 3.887,52 3.035,53 2.856,54 5.093,55 2.826,56 0.136,57 0.473,58 4.865,59 3.03,60 13.947,61 2.929,62 0.484,63 0.753,64 12.206,65 5.012,66 26.379,67 4.926,68 0.378,69 0.807,70 15.121,71 6.312,72 32.568,73 6.664,74 0.549,75 0.778,76 16.625,77 6.415,78 74.693,79 6.33,80 0.452,81 0.704,82 17.122,83 5.909,84 62.513,85 5.718,86 0.379,87 0.574,88 14.129,89 4.795,90 42.123,91 4.278,92 0.372,93 0.467,94 8.974,95 3.477,96 36.391,97 3.448,98 0.392,99 0.44,100 10.099,101 3.574,102 35.356,103 4.015,104 12,105 31,106 0.346,107 0.715,108 0.818,109 0.881,110 0.893,111 0.893,112 3.058,113 0.935,114 -2.17,115 -2.22,116 -2.19,120 40.6,126 2,127 1,136 1,139 1,143 3,144 1,145 2,159 1,160 1,164 1,165 1,166 1,174 4,176 3,177 4,185 5,189 7,191 1,192 1,197 3,200 1,201 6,209 2,214 6,216 2,217 2,219 1,222 1,224 1,227 5,232 1,237 1,239 2,240 2,245 1,249 1,251 3,257 2,262 2,263 1,269 1,273 1,274 450,275 13.593,276 13.593,277 13.593,278 13.593,279 13.593,280 12.465,281 13.925,282 8.003,283 14.014,284 10.815,285 10.815,286 10.815,287 10.815,288 10.815,289 8.875,290 13.852,291 3.703,292 11.476,293 3.16,294 1.196,295 0.649,296 0.313,297 0.25,298 0.25,299 3.735,306 1,307 1,308 371,309 2.55,312 99.674,313 49.568,316 79.391,320 1.3,321 29.237,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 45,333 172,334 4.415,335 4.844,336 6.648,337 4.085,338 3.149,339 3.97,340 4.341,341 10.557,342 2.938,343 4.265,344 3.599,345 6.194,346 3.884,347 2.932,348 3.681,349 1.392,350 9.259,351 2.78,352 3.691,353 3.309,354 5.542,355 3.32,356 2.352,357 2.983,358 1.191,359 7.238,360 2.263,361 3.322,362 3.275,363 5.123,364 2.905,365 1.924,366 2.489,367 0.54,368 5.883,369 1.862,370 2.959,371 2.363,372 4.637,373 2.563,374 1.648,375 2.026,376 0.532,377 4.561,378 1.467,379 2.885,380 1.991,381 4.363,382 2.477,383 1.534,384 1.963,386 4.203,387 1.437,388 2.375,389 1.975,390 3.499,391 2.136,392 1.154,393 1.283,395 2.478,396 1.128,397 2.191,398 1.717,399 3.414,400 2.035,401 1.065,402 1.16,404 2.135,405 1.019,406 1.705,407 1.513,408 3.079,409 1.43,410 0.494,411 0.58,413 1.176,414 0.457,415 1.57,416 1.111,417 2.894,418 1.194,419 0.2,420 0.252,422 0.397,423 0.194,424 1.179,425 0.811,426 2.361,427 0.754,428 -0.198,429 -0.241,431 -0.5,432 -0.183,433 0.713,434 0.323,435 2.329,436 0.252,437 -0.719,438 -0.91,440 -1.42,441 -0.683,442 0.477,443 -0.176,444 2.112,445 0.167,446 -0.818,447 -0.997,449 -1.867,450 -0.805,451 0.348,452 -0.443,453 1.712,454 0.083,455 -0.907,456 -1.185,458 -2.511,459 -0.888,460 0.263,461 -0.585,462 1.554,463 -0.135,464 -1.158,465 -1.456,467 -3.014,468 -1.134,469 9.467,470 0.473,471 0.486,472 0.024,473 25,474 1.25,475 11.5,476 0.575,477 13.5,478 0.675,479 14.217,480 0.711,481 21.733,482 0.679,483 17.011,484 0.851,485 5.048,486 0.252,487 4.638,488 0.232,489 0.113,491 0.359,496 0.817,497 1.179,498 0.676,499 0.919,500 0.65,501 0.829,502 0.87,503 0.897,504 0.779,505 0.837,506 0.661,507 0.771,508 0.83,509 0.938,510 0.828,511 1.013,512 0.844,513 0.942,514 1.101,515 0.973,516 1.163,517 1.026,518 1.162,519 1.055,520 1.042,521 1.178,522 1.473,523 1.345,524 1.225,525 1.159,526 1.349,527 1.151,528 1.418,529 1.304,530 1.612,531 1.113,532 1.02,533 1.028,534 0.798,535 0.983,536 1.321,537 0.963,538 0.634,539 1.242,540 0.994,541 1.221,542 0.84,543 1.167,544 4,545 0.032,546 2.444,547 2.021,548 0.898,549 0.549,550 0.319,551 0.24,552 0.183,553 0.075,554 3798,555 13318,556 2.077,557 37.5,559 8,560 2,562 2,567 1.616,568 1.935,569 3.102,570 0.459,572 1,574 1,575 58.875,576 1.84,577 3.804,578 4.351,579 4.688,580 4.75,581 4.75,582 2.528,583 4.022,584 4.295,585 3.219,586 611.577,587 7.33,588 6193.61,589 1,590 1,593 160,594 1.441,595 4.248,596 0.182,597 0.008,598 0.079,599 0.07,600 0.037,601 0.026,602 0.018,603 0.014,604 0.013,605 0.009,606 0.456,607 0.67,608 1,609 1.059,610 88.362,611 -0.114,612 -0.07,613 0.043,614 0.016,615 -0.095,616 0.033,617 0.064,618 0.17,619 0.116,620 0.137,621 -0.017,622 0.123,623 -0.027,624 0.046,625 0.084,626 -0.039,627 -0.021,628 0.041,629 -0.123,630 -0.009,631 -0.136,632 0.004,633 -0.001,634 -0.074,635 -0.086,636 -0.159,637 -0.221,638 -0.152,639 0.01,640 -0.152,641 -0.277,642 -0.154,643 -0.257,644 -0.186,645 -0.243,646 -0.147,647 0.091,648 -0.063,649 0.096,650 -0.069,651 -0.083,652 -0.054,653 0.381,654 -0.317,655 -0.051,656 -0.29,657 0.174,658 -0.197,659 1.969,660 5.048,661 0.7,662 13.85,663 1.031,664 1.12,665 0.945,666 0.893,667 0.696,668 3.135,669 3.466,670 3.761,671 4.025,672 4.111,673 4.111,674 4.234,675 4.344,676 4.317,677 4.394,678 5.121,679 0.679,680 292.34,681 3.135,682 4.673,683 5.533,684 6.418,685 7.295,686 8.183,687 9.065,688 9.953,689 10.837,690 11.725,691 6.3,692 1,698 1,709 3,714 3,716 6,735 2,738 32,739 9,740 1,741 22,743 34,744 13,745 6,746 3,747 3,748 3,752 3,753 4,759 1,768 10,769 3,772 3,778 2,780 1,782 3,785 1,786 1,789 12,790 6,791 2,792 7,793 1,797 2,800 1,803 0.667,804 4,822 2,823 1,826 1,845 2,848 1,852 1,855 2,857 1,862 20,863 1,869 3,872 2,873 1,875 1,886 12.5,889 2,891 2,893 10.333,894 5.7,895 4.444,896 1.769,898 1.91,899 1.286,900 0.984,901 3.695,902 8.597,903 3.367,904 3.902,905 4.434,906 4.934,907 5.373,908 5.596,909 5.968,910 6.32,911 6.502,912 6.664,913 0.833,914 29,915 7.406,917 3.226,918 8.067,919 13.696,921 11.165,924 2.567,925 51.333,929 117.711,930 103.984,931 36.022,933 72.29,935 32.22,936 71.764,937 190.001,938 36.022,940 46.883,941 37.905,942 56.545,943 35.672,944 26.612,945 126.388,947 117.711,948 107.786,949 72.29,950 32.22,952 117.711,953 72.29,956 46.883,957 49.876,958 11.027,959 32.22,960 117.711,961 108.311,962 103.984,965 117.711,966 66.079,967 41.029,969 105.187,970 117.711,971 108.311,972 103.984,973 0.579,974 0.352,975 0.197,976 0.097,977 16,978 7,979 0.088,980 3,981 1,982 1.143,983 3.26,984 150.535,985 0.143,986 14,987 86.439,989 1,993 13.488,994 5.479,995 2.575,997 108.311,998 5.363,1003 2.103,1005 32.897,1006 330.006,1007 28,1013 23.738,1015 1.67,1017 -0.196,1020 33.007,1021 35.83,1022 0.368,1023 0.761,1024 0.87,1025 0.938,1026 0.95,1027 0.95,1028 4.62,1029 1.065,1030 5.525,1031 2.478,1032 4.143,1033 4.585,1034 3.788,1035 6.354,1036 4.031,1037 5.812,1038 0.494,1039 7.098,1040 2.135,1041 3.761,1042 4.425,1043 2.911,1044 7.269,1045 3.589,1046 7.122,1047 0.2,1048 8.77,1049 1.176,1050 5.753,1051 6.69,1052 6.436,1053 10.378,1054 5.524,1055 8.467,1056 -0.198,1057 10.499,1058 0.397,1059 6.217,1060 7.328,1061 6.254,1062 12.122,1063 5.911,1064 9.846,1065 -0.719,1066 12.264,1067 -0.5,1068 7.671,1069 9.092,1070 9.287,1071 14.729,1072 7.319,1073 11.246,1074 -0.818,1075 14.055,1076 -1.42,1077 8.511,1078 10.082,1079 9.45,1080 16.814,1081 8.076,1082 12.662,1083 -0.907,1084 15.863,1085 -1.867,1086 9.76,1087 11.643,1088 12.162,1089 19.247,1090 9.277,1091 3.149,1092 -1.158,1093 17.684,1094 -2.511,1095 10.765,1096 12.804,1097 12.564,1098 21.476,1099 10.198,1100 2.932,1101 10.557,1102 19.516,1103 -3.014,1104 11.935,1105 14.271,1106 15.045,1107 23.847,1108 11.315,1109 2.352,1110 9.259,1111 21.357,1112 3.97,1113 13.01,1114 15.521,1115 15.63,1116 26.137,1117 12.311,1118 1.924,1119 7.238,1120 23.205,1121 3.681,1122 14.152,1123 16.94,1124 17.934,1125 28.488,1126 13.393,1127 1.648,1128 5.883,1129 25.058,1130 2.983,1131 15.257,1132 18.238,1133 18.664,1134 30.806,1135 14.423,1136 1.534,1137 4.561,1138 26.915,1139 2.489,1140 16.39,1141 19.632,1142 20.828,1143 33.151,1144 15.493,1145 1.154,1146 4.203,1147 28.777,1148 2.026,1149 17.509,1150 20.958,1151 21.676,1152 35.484,1153 16.539,1154 3719,1155 7067,1156 14.622,1157 22.284,1158 33.3,1159 37.276,1160 34.421,1161 32.966,1162 32.903,1163 40.774,1164 15.989,1165 95.772,1166 31.091,1167 5.316,1168 6.844,1169 6.406,1170 5.201,1171 5.149,1172 6.97,1173 8.339,1174 17.517,1175 4.938,1176 9.337,1177 1.514,1178 1.694,1179 1.565,1180 1.498,1181 1.496,1182 1.853,1183 0.727,1184 4.353,1185 1.413,1186 3.986,1187 3.995,1188 4.093,1189 3.908,1190 7.445,1191 3.906,1192 3.79,1193 3.814,1194 3.87,1195 3.656,1196 7.409,1197 3.644,1198 3.467,1199 3.526,1200 3.364,1201 3.284,1202 5.016,1203 3.278,1204 3.284,1205 3.317,1206 3.231,1207 3.038,1208 4.999,1209 3.058,1210 3,1211 3.044,1212 2.993,1213 2.804,1214 4.428,1215 2.811,1216 2.837,1217 2.856,1218 2.839,1219 2.633,1220 4.044,1221 2.65,1222 2.743,1223 2.792,1224 2.676,1225 2.498,1226 3.941,1227 2.506,1228 2.596,1229 2.669,1230 2.405,1231 2.334,1232 3.679,1233 2.312,1234 0.201,1235 0.22,1236 0.302,1237 0.186,1238 0.143,1239 4.415,1240 0.18,1241 4.844,1242 0.197,1243 6.648,1244 0.48,1245 4.085,1246 0.134,1247 3.149,1248 3.97,1249 4.341,1250 10.557,1251 2.938,1252 1.89,1253 1.877,1254 1.971,1255 1.965,1256 1.104,1257 1.968,1258 1.594,1259 1.532,1260 1.822,1261 1.85,1262 1.047,1263 1.844,1264 1.396,1265 1.393,1266 1.467,1267 1.544,1268 0.613,1269 1.524,1270 1.156,1271 1.124,1272 1.426,1273 1.513,1274 0.574,1275 1.479,1276 1.102,1277 1.073,1278 1.228,1279 1.38,1280 0.243,1281 1.368,1282 0.794,1283 0.762,1284 1.078,1285 0.989,1286 0.154,1287 1.02,1288 0.745,1289 0.718,1290 0.899,1291 0.976,1293 0.98,1294 0.556,1295 0.426,1296 0.792,1297 0.94,1299 0.908,1300 3.807,1302 5.13,1303 3.045,1304 6.64,1305 5.416,1306 8.237,1307 7.496,1308 9.879,1313 5.387,1315 0.699,1318 10.493,1319 0.921,1321 1.156,1326 21.723,1327 58.875,1328 121.735,1329 139.245,1330 150,1331 152,1332 152,1333 35.921,1334 6.687,1335 83.55,1336 111.79,1337 16,1338 12.256,1339 3.322,1340 2.807,1341 30.029,1342 62,1343 61,1344 0.246,1345 136.431,1346 245.31,1347 324.651,1348 6241,1350 14.113,1351 0.706,1352 0.566,1353 14.466,1354 11.313,1355 9.686,1356 0.44,1357 0.312,1358 5.977,1359 8.724,1360 5.821,1361 4.781,1362 10.094,1363 6.856,1364 8.651,1365 0.279,1366 0.169,1367 9.353,1368 5.228,1369 7.481,1370 0.178,1371 0.091,1372 8.239,1373 3.828,1374 6.368,1375 0.116,1376 0.052,1377 7.221,1378 2.841,1379 4.648,1380 0.077,1381 0.029,1382 5.365,1383 1.744,1384 0.379,1385 66.06,1386 0.262,1387 19.845,1388 0.688,1389 106,1390 392.76,1391 148.466,1392 383.43,1393 512.58,1394 358,1395 126,1396 349.868,1397 163.81,1398 364.963,1399 543.02,1400 341,1401 5.83}
{0 CHEMBL1459767,1 1.697,2 9.273,3 1.474,4 2.173,5 78.557,6 8.144,7 0.458,8 3.747,9 3.846,10 3.378,11 3.216,12 4.972,13 3.242,14 4.263,15 4.417,16 3.764,17 3.587,18 5.499,19 3.609,20 4.42,21 4.582,22 3.801,23 3.687,24 5.724,25 3.688,26 4.477,27 4.636,28 3.756,29 3.702,30 5.851,31 3.677,32 4.477,33 4.697,34 3.485,35 3.596,36 5.614,37 3.522,38 4.312,39 4.536,40 3.321,41 3.371,42 5.475,43 3.318,44 4.11,45 4.339,46 3.2,47 3.157,48 5.238,49 3.124,50 3.857,51 4.014,52 3.119,53 2.989,54 5.2,55 2.992,56 0.137,57 0.554,58 6.543,59 3.198,60 11.639,61 3.728,62 0.419,63 0.868,64 13.454,65 4.83,66 30.003,67 6.22,68 0.528,69 0.972,70 16.025,71 5.598,72 48.896,73 7.086,74 0.641,75 0.98,76 17.245,77 6.334,78 71.138,79 7.944,80 0.506,81 0.924,82 19.648,83 6.685,84 55.712,85 8.918,86 0.484,87 0.758,88 17.205,89 5.308,90 50.838,91 7.054,92 0.406,93 0.601,94 14.455,95 4.362,96 42.929,97 5.959,98 0.327,99 0.482,100 9.572,101 3.257,102 32.577,103 3.927,104 31,105 35,106 0.306,107 0.697,108 0.842,109 0.865,110 0.875,111 0.875,112 3.147,113 0.849,114 -3.18,115 -3.17,116 -3.05,120 40.5,121 1,122 1,125 1,126 1,143 3,144 1,145 3,147 1,152 1,159 2,167 1,174 3,176 2,177 7,185 3,188 2,189 6,192 2,197 3,200 2,201 6,204 2,209 4,213 1,214 3,219 2,222 2,226 1,227 4,232 2,239 1,240 5,245 1,251 1,252 3,255 1,263 2,274 592,275 14.593,276 14.593,277 14.593,278 14.593,279 14.593,280 13.036,281 20.767,282 8.255,283 14.944,284 11.733,285 11.733,286 11.733,287 11.733,288 11.733,289 9.176,290 22.841,291 3.78,292 12.195,293 3.512,294 1.351,295 0.548,296 0.419,297 0.365,298 0.365,299 3.82,305 1,306 1,307 1,308 430,309 3.24,312 107.551,313 53.905,316 86.444,320 1.479,321 29.789,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49.5,333 204,334 4.505,335 3.735,336 6.676,337 4.139,338 3.175,339 4.2,340 1.94,341 10.739,342 3.06,343 4.362,344 3.686,345 6.494,346 4.012,347 3.053,348 3.926,349 1.674,350 10.111,351 2.921,352 3.918,353 3.136,354 6.031,355 3.578,356 2.612,357 3.257,358 0.555,359 8.573,360 2.513,361 3.56,362 2.922,363 5.496,364 3.202,365 2.207,366 2.791,368 6.767,369 2.183,370 3.285,371 2.49,372 4.883,373 2.866,374 1.908,375 2.476,377 5.192,378 1.807,379 2.878,380 1.943,381 4.398,382 2.501,383 1.506,384 2.01,386 4.018,387 1.496,388 2.711,389 1.584,390 4.216,391 2.271,392 1.294,393 1.774,395 3.598,396 1.254,397 2.362,398 1.461,399 3.778,400 2.006,401 1.031,402 1.276,404 2.573,405 0.999,406 2.253,407 1.315,408 3.669,409 1.85,410 0.934,411 1.171,413 2.411,414 0.847,415 1.743,416 1.11,417 3.169,418 1.475,419 0.485,420 0.585,422 1.199,423 0.478,424 1.467,425 0.701,426 2.627,427 1.088,428 0.156,429 0.191,431 0.215,432 0.142,433 0.778,434 0.32,435 2.485,436 0.388,437 -0.559,438 -0.683,440 -1.451,441 -0.515,442 0.623,443 -0.117,444 2.203,445 0.25,446 -0.699,447 -0.878,449 -1.811,450 -0.661,451 0.615,452 -0.278,453 2,454 0.205,455 -0.794,456 -0.993,458 -2,459 -0.789,460 0.402,461 -0.512,462 1.848,463 0.094,464 -1,465 -1.356,467 -2.303,468 -1.091,469 10.033,470 0.456,471 0.665,472 0.03,473 28.75,474 1.307,475 14,476 0.636,477 14.75,478 0.67,479 15.601,480 0.709,481 24.167,482 0.653,483 21.424,484 0.974,485 5.903,486 0.268,487 4.604,488 0.209,489 0.199,491 0.429,496 0.766,497 1.374,498 0.698,499 1.156,500 0.655,501 0.956,502 0.776,503 1.218,504 0.687,505 0.879,506 0.532,507 0.771,508 0.893,509 1.035,510 0.955,511 0.961,512 0.924,513 0.959,514 0.841,515 1.129,516 1.075,517 1.154,518 0.997,519 1.17,520 0.909,521 1,522 1.062,523 1.08,524 0.907,525 1.107,526 1.083,527 0.908,528 1.073,529 0.971,530 1.042,531 1.004,532 0.997,533 0.916,534 0.854,535 0.88,536 0.917,537 0.838,538 1.212,539 1.124,540 1.118,541 1.204,542 1.233,543 1.153,544 5,545 0.086,546 3.333,547 1.951,548 1.558,549 0.705,550 0.434,551 0.306,552 0.214,553 0.194,554 4656,555 15654,556 2.017,557 40.5,559 8,560 1,562 1,563 3,564 2,567 1.644,568 1.833,569 3.207,570 -0.22,571 1,572 1,574 1,575 62.788,576 1.697,577 3.859,578 4.662,579 4.79,580 4.844,581 4.844,582 2.72,583 4.278,584 4.429,585 3.327,586 768.5,587 7.603,588 8271.77,589 1,590 1,592 1,593 192.75,594 1.544,595 4.36,596 0.208,597 0.011,598 0.095,599 0.056,600 0.049,601 0.029,602 0.022,603 0.017,604 0.013,605 0.016,606 0.516,607 0.5,608 1,609 1.206,610 100.612,611 -0.05,612 -0.174,613 0.042,614 -0.092,615 -0.076,616 -0.025,617 0.048,618 -0.1,619 0.174,620 0.113,621 0.082,622 0.166,623 -0.01,624 0.078,625 -0.077,626 0.006,627 -0.026,628 -0.041,629 0.087,630 -0.08,631 -0.18,632 -0.161,633 0.025,634 -0.228,635 -0.092,636 -0.051,637 -0.089,638 -0.092,639 -0.066,640 -0.09,641 -0.146,642 0.029,643 -0.061,644 -0.018,645 -0.117,646 -0.012,647 -0.035,648 -0.017,649 0.186,650 0.081,651 -0.034,652 0.175,653 -0.072,654 -0.131,655 -0.165,656 -0.239,657 -0.099,658 -0.233,659 2.361,660 4.544,661 0.636,662 17.711,663 1.025,664 1.13,665 1.949,666 3.797,667 0.66,668 3.219,669 3.584,670 3.892,671 4.159,672 4.304,673 4.431,674 4.564,675 4.691,676 4.736,677 4.844,678 5.458,679 0.651,680 301.33,681 3.219,682 4.779,683 5.652,684 6.553,685 7.445,686 8.348,687 9.247,688 10.151,689 11.053,690 11.958,691 8.1,698 1,699 1,701 1,709 4,710 1,714 5,715 1,716 11,726 1,734 1,738 37,739 13,740 1,741 24,743 39,744 15,745 9,746 3,747 3,748 1,752 3,753 4,759 1,763 1,766 1,768 11,769 4,772 2,778 2,782 2,785 1,786 1,789 15,790 6,791 1,792 7,797 3,803 0.667,804 4,814 1,822 2,823 1,826 1,839 1,855 2,859 2,862 22,868 1,869 2,872 1,875 1,886 10.8,888 1,889 2,891 1,893 12,894 7.383,895 4.833,896 2.089,898 2.28,899 1.327,900 0.942,901 3.726,902 9.258,903 3.481,904 4.09,905 4.674,906 5.247,907 5.686,908 6.064,909 6.465,910 6.85,911 7.167,912 7.463,913 1,914 35,915 8.125,917 3.515,918 8.098,919 14.988,921 12.155,924 2.598,925 57.167,929 164.795,930 85.176,931 21.564,933 103.973,936 85.176,937 268.769,938 21.564,939 19.708,940 7.765,941 37.476,942 121.532,943 24.232,944 11.771,945 153.024,947 164.795,948 106.74,949 103.973,952 141.253,953 127.515,956 21.123,957 68.954,958 16.663,960 164.795,961 125.537,962 85.176,965 164.795,966 27.992,967 62.085,969 120.636,970 164.795,971 125.537,972 85.176,973 0.593,974 0.361,975 0.19,976 0.095,977 18,978 9,979 0.077,980 3,981 1,982 1.143,983 3.332,984 175.303,985 0.143,986 14,987 98.107,993 14.755,994 5.555,995 2.548,997 123.76,998 6.876,999 4.042,1003 2.254,1004 1.415,1005 42.683,1006 375.509,1007 31.5,1013 23.025,1017 -0.684,1020 37.916,1021 41.824,1022 0.326,1023 0.741,1024 0.895,1025 0.92,1026 0.93,1027 0.93,1028 4.743,1029 1.031,1030 5.673,1031 3.598,1032 4.263,1033 4.775,1034 2.587,1035 6.538,1036 4.19,1037 5.972,1038 0.934,1039 7.276,1040 2.573,1041 4.007,1042 4.718,1043 1.668,1044 7.548,1045 3.901,1046 7.302,1047 0.485,1048 8.976,1049 2.411,1050 5.916,1051 6.971,1052 3.56,1053 10.646,1054 5.767,1055 8.667,1056 0.156,1057 10.729,1058 1.199,1059 6.463,1060 7.711,1061 3.13,1062 12.452,1063 6.271,1064 10.063,1065 -0.559,1066 12.516,1067 0.215,1068 7.876,1069 9.47,1070 4.667,1071 15.066,1072 7.647,1073 11.479,1074 -0.699,1075 14.326,1076 -1.451,1077 8.76,1078 10.56,1079 4.539,1080 17.186,1081 8.485,1082 12.911,1083 -0.794,1084 16.152,1085 -1.811,1086 9.993,1087 12.126,1088 5.832,1089 19.632,1090 9.684,1091 3.175,1092 -1,1093 17.989,1094 -2,1095 11.021,1096 13.381,1097 5.912,1098 21.882,1099 10.665,1100 3.053,1101 10.739,1102 19.835,1103 -2.303,1104 12.189,1105 14.864,1106 7.034,1107 24.267,1108 11.798,1109 2.612,1110 10.111,1111 21.688,1112 4.2,1113 13.278,1114 16.199,1115 7.263,1116 26.574,1117 12.843,1118 2.207,1119 8.573,1120 23.546,1121 3.926,1122 14.424,1123 17.646,1124 8.264,1125 28.937,1126 13.952,1127 1.908,1128 6.767,1129 25.408,1130 3.257,1131 15.54,1132 19.021,1133 8.602,1134 31.269,1135 15.026,1136 1.506,1137 5.192,1138 27.274,1139 2.791,1140 16.679,1141 20.452,1142 9.516,1143 33.626,1144 16.128,1145 1.294,1146 4.018,1147 29.143,1148 2.476,1149 17.807,1150 21.848,1151 9.936,1152 35.971,1153 17.216,1154 4659,1155 8645,1156 15.433,1157 24.404,1158 37.211,1159 38.691,1160 39.287,1161 36.708,1162 36.72,1163 47.315,1164 8.34,1165 110.789,1166 35.397,1167 5.361,1168 5.735,1169 6.219,1170 5.187,1171 5.175,1172 7.2,1173 3.615,1174 17.77,1175 5.06,1176 13.14,1177 1.55,1178 1.612,1179 1.637,1180 1.529,1181 1.53,1182 1.971,1183 0.348,1184 4.616,1185 1.475,1186 4.072,1187 4.111,1188 4.036,1189 3.957,1190 7.434,1191 3.968,1192 3.862,1193 3.9,1194 3.826,1195 3.678,1196 7.428,1197 3.712,1198 3.526,1199 3.559,1200 3.449,1201 3.336,1202 6.47,1203 3.354,1204 3.366,1205 3.404,1206 3.263,1207 3.134,1208 4.888,1209 3.134,1210 3.265,1211 3.329,1212 3.102,1213 3.019,1214 4.601,1215 3.049,1216 2.923,1217 2.981,1218 2.768,1219 2.748,1220 4.46,1221 2.741,1222 2.839,1223 2.891,1224 2.671,1225 2.599,1226 3.981,1227 2.608,1228 2.651,1229 2.702,1230 2.511,1231 2.409,1232 3.744,1233 2.412,1234 0.188,1235 0.156,1236 0.278,1237 0.172,1238 0.132,1239 4.505,1240 0.175,1241 3.735,1242 0.081,1243 6.676,1244 0.447,1245 4.139,1246 0.128,1247 3.175,1248 4.2,1249 1.94,1250 10.739,1251 3.06,1252 1.906,1253 1.88,1254 1.994,1255 2.01,1256 1.193,1257 2.004,1258 1.566,1259 1.519,1260 1.789,1261 1.805,1262 1.014,1263 1.798,1264 1.52,1265 1.508,1266 1.64,1267 1.751,1268 0.707,1269 1.702,1270 1.359,1271 1.299,1272 1.624,1273 1.603,1274 0.641,1275 1.598,1276 1.246,1277 1.184,1278 1.508,1279 1.493,1280 0.562,1281 1.508,1282 1.124,1283 1.04,1284 1.313,1285 1.428,1286 0.375,1287 1.419,1288 0.824,1289 0.75,1290 1.121,1291 1.053,1292 0.225,1293 1.074,1294 0.716,1295 0.668,1296 0.97,1297 0.983,1298 0.027,1299 0.964,1300 3.892,1302 5.242,1303 3.045,1304 6.777,1305 5.416,1306 8.394,1307 7.526,1308 10.057,1310 2.768,1314 9.765,1315 1.422,1318 4.562,1321 1.722,1326 24.084,1327 62.788,1328 142.776,1329 172.485,1330 177.24,1331 179.24,1332 179.24,1333 40.791,1334 6.977,1335 84.66,1336 84.66,1337 16,1338 12.477,1339 3.807,1340 3.087,1341 34.559,1342 72,1343 69,1344 0.245,1345 148.351,1346 258.86,1347 353.738,1348 8555,1350 15.853,1351 0.721,1352 0.556,1353 15.853,1354 12.237,1355 10.507,1356 0.438,1357 0.283,1358 6.646,1359 9.895,1360 6.461,1361 5.347,1362 10.507,1363 6.793,1364 9.74,1365 0.278,1366 0.144,1367 9.74,1368 5.033,1369 8.381,1370 0.175,1371 0.077,1372 8.381,1373 3.677,1374 6.907,1375 0.11,1376 0.041,1377 6.907,1378 2.597,1379 5.112,1380 0.07,1381 0.022,1382 5.112,1383 1.607,1384 0.378,1385 67.411,1386 0.255,1387 21.477,1388 0.688,1389 118,1390 420.292,1391 134.737,1392 394.059,1393 528.77,1394 366,1395 142,1396 386.888,1397 159.297,1398 386.097,1399 566.09,1400 361,1401 6.177}
{0 CHEMBL1460692,1 1.72,2 9.939,3 6.223,4 38.722,5 131.716,6 8.933,7 0.703,8 4.122,9 4.229,10 3.835,11 3.71,12 5.31,13 3.697,14 4.615,15 4.757,16 4.262,17 4.14,18 5.767,19 4.109,20 4.834,21 4.983,22 4.423,23 4.305,24 5.962,25 4.24,26 5.032,27 5.225,28 4.334,29 4.375,30 6.076,31 4.304,32 5.071,33 5.25,34 4.454,35 4.427,36 6.177,37 4.381,38 5.203,39 5.384,40 4.606,41 4.497,42 6.458,43 4.452,44 5.251,45 5.468,46 4.351,47 4.45,48 6.336,49 4.35,50 5.123,51 5.381,52 4.138,53 4.267,54 6.113,55 4.118,56 0.162,57 0.804,58 8.33,59 4.47,60 15.69,61 5.197,62 0.27,63 1.277,64 16.254,65 7.648,66 25.791,67 9.544,68 0.419,69 1.508,70 27.171,71 10.109,72 39.998,73 12.32,74 0.532,75 1.812,76 32.617,77 12.186,78 56.935,79 15.048,80 0.504,81 1.885,82 33.098,83 13.031,84 57.142,85 16.102,86 0.942,87 2.209,88 35.26,89 14.06,90 83.046,91 17.84,92 0.878,93 2.191,94 41.156,95 14.439,96 93.171,97 17.266,98 0.727,99 1.782,100 45.141,101 15,102 87.093,103 19.443,104 37,105 55,106 0.28,107 0.634,108 0.752,109 0.817,110 0.829,111 0.829,112 3.533,113 0.9,114 -6.06,115 -5.9,116 -5.49,120 44.4,121 2,123 1,126 1,143 7,144 5,145 2,148 2,152 1,153 3,170 2,174 11,177 6,180 2,182 6,185 15,189 9,193 2,194 4,197 15,201 8,206 10,209 14,214 3,219 4,222 16,226 3,227 7,230 8,231 4,232 8,235 17,240 4,245 8,247 16,252 4,257 8,260 13,264 4,269 8,271 10,274 1892,275 22.068,276 22.068,277 22.068,278 22.068,279 22.068,280 18.71,281 23.455,282 12.57,283 22.635,284 18.212,285 18.212,286 18.212,287 18.212,288 18.212,289 13.305,290 31.161,291 5.929,292 19.258,293 4.035,294 1.855,295 1.133,296 0.732,297 0.658,298 0.658,299 4.233,303 2,307 1,308 716,309 3.24,312 239.084,313 183.901,316 130.591,320 1.528,321 32.53,324 0.75,325 0.67,326 1,327 0.6,328 0.5,329 1,330 1,331 0.79,332 71.167,333 328,334 4.743,335 3.757,336 7.204,337 4.394,338 3.411,339 4.635,340 1.36,341 12.72,342 3.357,343 4.487,344 3.329,345 6.686,346 4.051,347 3.086,348 4.191,349 0.522,350 10.798,351 2.98,352 4.262,353 3.182,354 6.38,355 3.826,356 2.866,357 3.945,359 9.514,360 2.748,361 4.212,362 3.068,363 5.959,364 3.734,365 2.821,366 3.869,368 8.374,369 2.583,370 3.633,371 2.672,372 5.746,373 3.253,374 2.321,375 2.98,377 7.504,378 2.133,379 3.476,380 2.399,381 5.309,382 3.084,383 2.121,384 2.817,386 6.504,387 1.968,388 3.262,389 2.14,390 4.977,391 2.777,392 1.821,393 2.588,395 5.406,396 1.703,397 3.055,398 2.088,399 4.732,400 2.655,401 1.732,402 2.224,404 4.726,405 1.593,406 3.055,407 2.087,408 4.732,409 2.655,410 1.732,411 2.224,413 4.726,414 1.59,415 2.903,416 1.909,417 4.548,418 2.486,419 1.504,420 2.049,422 4.186,423 1.472,424 2.82,425 1.644,426 4.042,427 2.306,428 1.414,429 1.949,431 3.524,432 1.199,433 2.65,434 1.217,435 3.934,436 2.162,437 1.18,438 1.719,440 2.792,441 1.154,442 2.452,443 1.101,444 3.721,445 1.978,446 1,447 1.431,449 2.684,450 0.976,451 2.327,452 0.994,453 3.591,454 1.881,455 0.895,456 1.257,458 2.325,459 0.879,460 1.676,461 0.774,462 3.328,463 1.345,464 0.38,465 0.476,467 0.951,468 0.36,469 16.095,470 0.488,471 0.998,472 0.03,473 44.25,474 1.341,475 23,476 0.697,477 21.25,478 0.644,479 31.812,480 0.964,481 34.305,482 0.635,483 36.144,484 1.095,485 8.818,486 0.267,487 7.028,488 0.213,489 0.192,491 0.429,496 0.827,497 1.003,498 0.575,499 0.759,500 0.895,501 0.756,502 0.628,503 1.102,504 0.581,505 0.797,506 0.507,507 0.782,508 0.746,509 1.108,510 0.836,511 1.039,512 0.716,513 1.055,514 1.007,515 0.996,516 0.855,517 0.942,518 0.94,519 0.989,520 0.932,521 1.163,522 0.705,523 0.995,524 1.037,525 0.941,526 0.636,527 1.085,528 0.679,529 1.047,530 0.789,531 1.044,532 1.336,533 0.989,534 0.945,535 0.948,536 1.32,537 1.115,538 0.998,539 0.874,540 0.874,541 0.889,542 1.053,543 0.988,544 6.5,545 0.26,546 4.444,547 3.396,548 1.866,549 1.82,550 1.423,551 0.57,552 0.538,553 0.256,554 13374,555 43821,556 2.094,557 38.9,558 1,559 9,560 1,562 4,563 6,567 1.762,568 1.922,569 3.17,570 1.573,575 92.877,576 1.72,577 3.9,578 4.622,579 5.023,580 5.097,581 5.097,582 2.62,583 4.196,584 5.016,585 3.43,586 1811.19,587 8.842,588 25581,593 310.764,594 1.501,595 4.959,596 0.176,597 0.01,598 0.081,599 0.06,600 0.032,601 0.027,602 0.019,603 0.011,604 0.014,605 0.008,606 0.436,608 0.63,609 0.6,610 169.843,611 -0.055,612 0.143,613 -0.004,614 0.107,615 -0.138,616 0.072,617 0.062,618 0.001,619 0.084,620 0.102,621 0.101,622 0.108,623 0.038,624 -0.057,625 -0.005,626 -0.096,627 0.009,628 -0.135,629 -0.164,630 0.032,631 -0.098,632 -0.01,633 -0.097,634 -0.039,635 -0.054,636 -0.161,638 -0.059,639 -0.069,640 0.009,641 0.325,642 -0.028,643 0.009,644 -0.151,645 0.214,646 -0.135,647 -0.301,648 0.038,649 -0.178,650 -0.033,651 -0.236,652 -0.174,653 -0.093,654 0.032,655 0.057,656 0.12,657 -0.088,658 0.08,659 1.831,660 4.626,661 0.758,662 28.929,663 1.014,664 1.121,665 4.826,666 23.288,667 0.713,668 3.638,669 4.025,670 4.369,671 4.71,672 4.942,673 5.106,674 5.313,675 5.493,676 5.568,677 5.62,678 6.162,679 0.684,680 482.4,681 3.638,682 5.22,683 6.111,684 7.031,685 7.944,686 8.871,687 9.794,688 10.726,689 11.654,690 12.588,691 9.3,699 3,701 2,708 2,709 8,710 2,711 2,714 10,715 1,716 26,734 2,737 2,738 54,739 26,740 2,741 37,743 58,744 24,745 20,746 5,747 7,752 5,753 6,754 2,759 2,768 20,769 4,770 1,789 21,790 4,791 4,792 9,793 2,797 5,803 0.8,804 2,814 2,818 1,822 3,823 2,826 1,855 4,859 2,860 2,862 33,868 2,869 1,874 1,885 2,886 3.7,888 2,893 17.167,894 10.286,895 7.056,896 3.053,898 3.797,899 1.473,900 0.994,901 5.805,902 11.817,903 3.932,904 4.637,905 5.288,906 5.929,907 6.405,908 6.79,909 7.312,910 7.814,911 8.159,912 8.536,913 1,914 57,915 12.172,917 5.357,918 7.805,919 22.978,921 19.401,924 2.305,925 76.056,929 200.109,930 125.111,931 68.551,932 78.297,933 85.367,936 125.111,937 363.773,938 68.551,939 17.65,940 2.106,941 75.381,942 118.693,943 57.542,944 19.429,945 188.338,946 78.297,947 200.109,948 193.662,949 85.367,950 78.297,952 200.109,953 85.367,956 54.981,957 105.355,958 111.623,960 200.109,961 153.918,962 203.409,965 200.109,966 32.08,967 94.931,968 33.326,969 196.99,970 200.109,971 153.918,972 203.409,973 0.598,974 0.365,975 0.204,976 0.111,977 29,978 14,979 0.086,980 5,981 1,982 1.08,983 4.111,984 339.215,985 0.08,986 25,987 152.465,993 22.195,994 8.63,995 3.879,996 1.993,997 118.693,998 15.639,999 7.977,1000 5.696,1003 5.287,1004 2.121,1005 118.693,1006 557.435,1007 50,1020 54.763,1021 60.535,1022 0.299,1023 0.678,1024 0.803,1025 0.873,1026 0.886,1027 0.886,1028 5.196,1029 1.732,1030 6.133,1031 5.406,1032 4.71,1033 5.325,1034 1.463,1035 7.027,1036 4.609,1037 6.452,1038 1.732,1039 7.746,1040 4.726,1041 4.443,1042 5.278,1043 1.06,1044 8.089,1045 4.263,1046 7.796,1047 1.504,1048 9.46,1049 4.726,1050 6.382,1051 7.633,1052 1.609,1053 11.26,1054 6.215,1055 9.179,1056 1.414,1057 11.232,1058 4.186,1059 6.938,1060 8.422,1061 1.679,1062 13.185,1063 6.719,1064 10.594,1065 1.18,1066 13.044,1067 3.524,1068 8.377,1069 10.249,1070 2.024,1071 15.893,1072 8.162,1073 12.032,1074 1,1075 14.883,1076 2.792,1077 9.293,1078 11.419,1079 2.248,1080 18.17,1081 9.046,1082 13.489,1083 0.895,1084 16.743,1085 2.684,1086 10.557,1087 13.04,1088 2.55,1089 20.736,1090 10.305,1091 3.411,1092 0.38,1093 18.62,1094 2.325,1095 11.628,1096 14.386,1097 2.825,1098 23.157,1099 11.356,1100 3.086,1101 12.72,1102 20.51,1103 0.951,1104 12.833,1105 15.926,1106 3.122,1107 25.685,1108 12.554,1109 2.866,1110 10.798,1111 22.41,1112 4.635,1113 13.971,1114 17.354,1115 3.415,1116 28.166,1117 13.679,1118 2.821,1119 9.514,1120 24.32,1121 4.191,1122 15.162,1123 18.865,1124 3.715,1125 30.688,1126 14.86,1127 2.321,1128 8.374,1129 26.237,1130 3.945,1131 16.331,1132 20.332,1133 4.015,1134 33.196,1135 16.019,1136 2.121,1137 7.504,1138 28.16,1139 3.869,1140 17.522,1141 21.836,1142 4.318,1143 35.721,1144 17.201,1145 1.821,1146 6.504,1147 30.089,1148 2.98,1149 18.708,1150 23.323,1151 4.622,1152 38.243,1153 18.377,1154 12686,1155 23109,1156 24.391,1157 38.506,1158 57.806,1159 58.136,1160 60.589,1161 57.34,1162 57.044,1163 77.292,1164 3.763,1165 174.553,1166 53.724,1167 5.543,1168 5.757,1169 6.882,1170 5.421,1171 5.411,1172 7.635,1173 2.04,1174 20.456,1175 5.357,1176 18.403,1177 1.562,1178 1.571,1179 1.638,1180 1.55,1181 1.542,1182 2.089,1183 0.102,1184 4.718,1185 1.452,1186 4.184,1187 4.217,1188 4.172,1189 4.099,1190 6.48,1191 4.107,1192 3.968,1193 4.014,1194 4.08,1195 3.865,1196 6.472,1197 3.86,1198 3.887,1199 3.903,1200 3.923,1201 3.81,1202 5.05,1203 3.822,1204 3.835,1205 3.898,1206 3.795,1207 3.622,1208 4.941,1209 3.655,1210 3.44,1211 3.494,1212 3.436,1213 3.316,1214 4.847,1215 3.316,1216 3.177,1217 3.237,1218 3.393,1219 3.063,1220 4.823,1221 3.051,1222 3.058,1223 3.149,1224 3.245,1225 2.848,1226 4.491,1227 2.832,1228 3.057,1229 3.139,1230 2.947,1231 2.8,1232 4.327,1233 2.798,1234 0.128,1235 0.102,1236 0.195,1237 0.119,1238 0.092,1239 4.743,1240 0.125,1241 3.757,1242 0.037,1243 7.204,1244 0.344,1245 4.394,1246 0.091,1247 3.411,1248 4.635,1249 1.36,1250 12.72,1251 3.357,1252 1.965,1253 1.943,1254 2.051,1255 2.05,1256 1.265,1257 2.053,1258 1.9,1259 1.882,1260 1.979,1261 1.967,1262 1.203,1263 1.979,1264 1.768,1265 1.743,1266 1.876,1267 1.869,1268 1.048,1269 1.876,1270 1.517,1271 1.456,1272 1.746,1273 1.759,1274 0.843,1275 1.748,1276 1.477,1277 1.421,1278 1.65,1279 1.71,1280 0.784,1281 1.687,1282 1.312,1283 1.241,1284 1.483,1285 1.596,1286 0.634,1287 1.562,1288 1.19,1289 1.142,1290 1.272,1291 1.516,1292 0.356,1293 1.459,1294 1.097,1295 1.057,1296 1.261,1297 1.285,1298 0.198,1299 1.306,1300 4.317,1302 5.687,1303 3.434,1304 7.241,1305 5.861,1306 8.882,1307 7.978,1308 10.573,1310 3.687,1311 12.335,1314 21.251,1315 0.566,1320 -0.498,1326 36.933,1327 92.877,1328 210.583,1329 249.603,1330 271.254,1331 275.254,1332 275.254,1333 61.463,1334 8.02,1335 102.75,1336 102.75,1337 27,1338 13.089,1339 4.755,1340 3.807,1341 47.326,1342 118,1343 146,1344 0.193,1345 230.448,1346 381.42,1347 554.053,1348 30851,1349 3.7,1350 23.275,1351 0.705,1352 0.588,1353 24.275,1354 19.407,1355 15.846,1356 0.428,1357 0.3,1358 10.283,1359 14.782,1360 9.92,1361 8.195,1362 16.424,1363 11.097,1364 14.937,1365 0.272,1366 0.162,1367 15.679,1368 8.897,1369 13.114,1370 0.168,1371 0.086,1372 14.029,1373 6.733,1374 11.307,1375 0.103,1376 0.044,1377 11.708,1378 4.788,1379 9.063,1380 0.065,1381 0.024,1382 9.433,1383 3.316,1384 0.291,1385 104.974,1386 0.202,1387 29.669,1388 0.57,1389 184,1390 522.307,1391 228.765,1392 575.33,1393 776.02,1394 534,1395 225,1396 542.858,1397 267.151,1398 571.713,1399 841.66,1400 537,1401 4.569}
{0 CHEMBL1460791,1 1.766,2 10.167,3 2.389,4 5.705,5 89.277,6 9.047,7 0.407,8 3.782,9 3.872,10 3.516,11 3.364,12 4.956,13 3.367,14 4.335,15 4.463,16 3.935,17 3.793,18 5.489,19 3.773,20 4.615,21 4.789,22 3.963,23 3.881,24 5.766,25 3.838,26 4.627,27 4.813,28 3.828,29 3.697,30 5.983,31 3.684,32 4.344,33 4.526,34 3.677,35 3.438,36 5.743,37 3.453,38 4.144,39 4.322,40 3.594,41 3.323,42 5.447,43 3.322,44 4.012,45 4.209,46 3.429,47 3.225,48 5.156,49 3.213,50 3.895,51 4.07,52 3.289,53 3.232,54 5.119,55 3.204,56 0.107,57 0.556,58 5.079,59 3.305,60 10.917,61 3.664,62 0.339,63 0.919,64 11.185,65 5.812,66 24.619,67 6.867,68 0.511,69 1.109,70 21.545,71 8.27,72 57.691,73 9.643,74 0.789,75 1.082,76 23.802,77 7.524,78 112.992,79 7.954,80 0.72,81 0.825,82 16.603,83 5.355,84 83.444,85 5.861,86 0.48,87 0.696,88 13.702,89 4.455,90 50.157,91 5.084,92 0.356,93 0.622,94 12.177,95 3.754,96 28.101,97 4.232,98 0.242,99 0.573,100 8.909,101 3.507,102 18.464,103 3.947,104 10,105 39,106 0.314,107 0.654,108 0.764,109 0.783,110 0.783,111 0.783,112 3.229,113 0.9,114 -4.76,115 -4.67,116 -4.39,120 44.7,122 2,123 2,126 1,136 2,143 4,144 1,145 1,159 2,162 2,167 1,174 10,176 4,177 6,185 12,188 2,189 11,197 7,200 2,201 12,209 1,213 4,214 9,226 2,227 10,240 11,247 2,252 6,260 6,264 5,271 10,274 742,275 16.292,276 16.292,277 16.292,278 16.292,279 16.292,280 14.515,281 13.995,282 9.426,283 16.558,284 13.3,285 13.3,286 13.3,287 13.3,288 13.3,289 10.57,290 14.593,291 4.475,292 13.745,293 3.482,294 1.566,295 0.947,296 0.842,297 0.842,298 0.842,299 3.924,303 1,305 1,306 1,307 1,308 540,309 2.345,312 109.684,313 141.331,316 97.492,320 1.583,321 33.283,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52.833,333 244,334 4.451,335 4.1,336 6.968,337 4.297,338 3.309,339 3.979,340 2.052,341 11.713,342 3.266,343 4.296,344 3.387,345 6.187,346 3.906,347 2.926,348 3.638,349 1.798,350 9.245,351 2.864,352 3.866,353 3.024,354 5.74,355 3.439,356 2.486,357 3.417,358 0.615,359 7.639,360 2.37,361 3.501,362 2.87,363 5.491,364 3.176,365 2.25,366 2.783,368 6.49,369 2.093,370 3.372,371 2.613,372 5.256,373 3.066,374 2.026,375 2.491,377 6.426,378 2.074,379 3.315,380 2.421,381 4.997,382 2.966,383 2.017,384 2.413,386 5.892,387 1.84,388 2.831,389 1.757,390 4.195,391 2.384,392 1.404,393 1.869,395 3.662,396 1.367,397 2.66,398 1.639,399 3.668,400 2.202,401 1.242,402 1.645,404 2.97,405 1.168,406 2.5,407 1.582,408 3.618,409 2,410 1,411 1.5,413 2.275,414 1,415 2.187,416 1.335,417 3.414,418 1.942,419 0.914,420 1.035,422 2.21,423 0.934,424 2.085,425 1,426 3.297,427 1.687,428 0.703,429 1,431 1.708,432 0.687,433 1.827,434 0.729,435 3.2,436 1.354,437 0.319,438 0.424,440 0.827,441 0.324,442 1.12,443 0.482,444 2.537,445 0.655,446 -0.206,447 -0.259,449 -0.458,450 -0.141,451 0.667,452 0.337,453 2.343,454 0.463,455 -0.585,456 -0.657,458 -1.379,459 -0.606,460 0.645,461 -0.058,462 2.318,463 0.312,464 -0.679,465 -0.837,467 -1.901,468 -0.662,469 11.414,470 0.476,471 0.627,472 0.026,473 30,474 1.25,475 14,476 0.583,477 16,478 0.667,479 18.958,480 0.79,481 25.186,482 0.663,483 21.225,484 0.884,485 5.853,486 0.244,487 5.778,488 0.241,489 0.121,491 0.385,496 0.616,497 1.189,498 0.533,499 0.959,500 0.499,501 0.851,502 0.546,503 1.139,504 0.643,505 0.99,506 0.547,507 0.969,508 0.979,509 1.072,510 0.938,511 1.091,512 1.03,513 1.056,514 1.53,515 1.055,516 1.055,517 0.974,518 1.628,519 1.008,520 1.281,521 0.946,522 0.727,523 0.711,524 1.385,525 0.768,526 0.984,527 1.103,528 0.76,529 0.962,530 0.954,531 0.919,532 1.228,533 0.945,534 0.839,535 0.716,536 0.646,537 0.749,538 1.054,539 0.887,540 0.792,541 0.789,542 0.835,543 0.866,544 4.5,545 0.086,546 3.111,547 2.458,548 1.094,549 0.817,550 0.345,551 0.32,552 0.231,553 0.136,554 6763,555 21600,556 2.135,557 36.8,558 4,559 8,563 2,567 1.666,568 2,569 3.3,570 -0.699,571 1,572 1,574 1,575 67.122,576 1.766,577 3.682,578 4.301,579 4.406,580 4.406,581 4.406,582 2.73,583 3.918,584 4.558,585 3.459,586 954.687,587 7.849,588 11106.7,589 1,590 1,592 1,593 199.421,594 1.406,595 4.518,596 0.167,597 0.006,598 0.08,599 0.065,600 0.034,601 0.029,602 0.014,603 0.015,604 0.012,605 0.008,606 0.43,607 0.33,608 1,609 0.566,610 114.033,611 0.008,612 -0.074,613 0.031,614 -0.054,615 0.009,616 -0.009,617 0.179,618 -0.065,619 0.032,620 -0.072,621 0.039,622 -0.08,623 -0.053,624 -0.106,625 -0.045,626 -0.123,627 -0.086,628 -0.081,629 -0.232,630 -0.085,631 -0.149,632 -0.051,633 -0.113,634 -0.08,635 0.055,636 0.053,637 0.072,638 0.185,639 0.025,640 0.137,641 0.115,642 -0.077,643 0.117,644 -0.05,645 0.033,647 -0.199,648 0.117,649 0.074,650 0.19,651 -0.044,652 0.176,653 -0.211,654 0.186,655 -0.062,656 0.115,657 -0.023,658 0.049,659 1.819,660 5.435,661 0.833,662 19.417,663 1.024,664 1.12,665 3.531,666 12.47,667 0.705,668 3.332,669 3.689,670 4.007,671 4.29,672 4.477,673 4.511,674 4.625,675 4.754,676 4.787,677 4.828,678 5.962,679 0.689,680 343.79,681 3.332,682 4.89,683 5.765,684 6.661,685 7.552,686 8.452,687 9.35,688 10.253,689 11.154,690 12.059,691 7.9,698 1,701 2,709 4,710 2,712 1,714 4,716 11,737 1,738 38,739 14,740 1,741 27,743 41,744 17,745 8,746 2,747 4,752 4,753 5,754 1,763 2,764 2,766 2,768 12,769 5,770 2,772 3,778 2,780 2,782 2,785 1,786 1,789 14,790 6,792 7,793 1,797 3,800 1,803 0.75,804 3,822 2,823 2,826 1,845 2,855 3,860 1,862 24,869 3,874 2,875 1,885 1,886 7.9,889 2,891 1,893 12,894 6.91,895 5.167,896 2.341,898 2.414,899 1.325,900 0.989,901 3.89,902 9.84,903 3.597,904 4.155,905 4.683,906 5.195,907 5.597,908 5.816,909 6.141,910 6.49,911 6.753,912 6.873,913 0.857,914 38,915 8.931,917 4.015,918 7.949,919 16.717,921 14.28,924 2.449,925 58.778,929 164.795,930 90.168,931 36.45,932 39.149,933 59.797,936 90.168,937 263.741,938 36.45,940 10.299,941 56.857,942 103.065,943 16.194,945 164.795,946 39.149,947 164.795,948 126.618,949 59.797,950 39.149,952 164.795,953 59.797,956 20.339,957 54,958 91.427,960 164.795,961 96.248,962 129.316,965 164.795,966 33.31,967 59.982,969 132.272,970 164.795,971 96.248,972 129.316,973 0.591,974 0.357,975 0.195,976 0.104,977 21,978 9,979 0.073,980 3,981 1,982 1.1,983 3.66,984 201.764,985 0.1,986 20,987 96.039,993 15.401,994 6.061,995 2.769,997 96.248,998 6.996,999 7.931,1001 5.595,1003 1.922,1006 390.359,1007 35.5,1013 24.871,1015 3.919,1017 -0.304,1020 38.913,1021 42.558,1022 0.337,1023 0.702,1024 0.819,1025 0.84,1026 0.84,1027 0.84,1028 4.858,1029 1.242,1030 5.765,1031 3.662,1032 4.369,1033 4.84,1034 2.636,1035 6.613,1036 4.315,1037 6.055,1038 1,1039 7.349,1040 2.97,1041 4.007,1042 4.575,1043 2.221,1044 7.576,1045 3.903,1046 7.358,1047 0.914,1048 9.034,1049 2.275,1050 5.999,1051 6.923,1052 3.636,1053 10.714,1054 5.902,1055 8.693,1056 0.703,1057 10.778,1058 2.21,1059 6.479,1060 7.474,1061 3.798,1062 12.54,1063 6.353,1064 10.06,1065 0.319,1066 12.561,1067 1.708,1068 7.943,1069 9.28,1070 4.835,1071 15.206,1072 7.816,1073 11.449,1074 -0.206,1075 14.372,1076 0.827,1077 8.805,1078 10.212,1079 5.261,1080 17.398,1081 8.663,1082 12.856,1083 -0.585,1084 16.203,1085 -0.458,1086 10.075,1087 11.789,1088 6.125,1089 19.914,1090 9.927,1091 3.309,1092 -0.679,1093 18.051,1094 -1.379,1095 11.112,1096 12.913,1097 6.683,1098 22.261,1099 10.954,1100 2.926,1101 11.713,1102 19.913,1103 -1.901,1104 12.314,1105 14.382,1106 7.464,1107 24.731,1108 12.147,1109 2.486,1110 9.245,1111 21.786,1112 3.979,1113 13.429,1114 15.609,1115 8.092,1116 27.141,1117 13.253,1118 2.25,1119 7.639,1120 23.669,1121 3.638,1122 14.611,1123 17.024,1124 8.834,1125 29.598,1126 14.425,1127 2.026,1128 6.49,1129 25.56,1130 3.417,1131 15.762,1132 18.308,1133 9.499,1134 32.035,1135 15.567,1136 2.017,1137 6.426,1138 27.458,1139 2.783,1140 16.94,1141 19.698,1142 10.222,1143 34.49,1144 16.734,1145 1.404,1146 5.892,1147 29.362,1148 2.491,1149 18.108,1150 21.015,1151 10.908,1152 36.939,1153 17.892,1154 6353,1155 11488,1156 18.205,1157 26.807,1158 42.228,1159 43.323,1160 42.729,1161 41.458,1162 41.191,1163 52.389,1164 8.931,1165 122.113,1166 39.973,1167 5.385,1168 6.1,1169 6.647,1170 5.345,1171 5.309,1172 6.979,1173 3.497,1174 18.863,1175 5.266,1176 10.607,1177 1.564,1178 1.605,1179 1.583,1180 1.535,1181 1.526,1182 1.94,1183 0.331,1184 4.523,1185 1.48,1186 4.028,1187 4.057,1188 4.035,1189 3.9,1190 7.445,1191 3.908,1192 3.937,1193 3.961,1194 3.927,1195 3.847,1196 7.408,1197 3.847,1198 3.7,1199 3.734,1200 3.754,1201 3.481,1202 5.257,1203 3.522,1204 3.444,1205 3.482,1206 3.393,1207 3.242,1208 4.914,1209 3.271,1210 3.133,1211 3.182,1212 3.23,1213 2.947,1214 4.441,1215 2.947,1216 2.989,1217 3.047,1218 3.026,1219 2.882,1220 4.268,1221 2.868,1222 2.854,1223 2.925,1224 2.746,1225 2.735,1226 3.953,1227 2.715,1228 2.73,1229 2.779,1230 2.687,1231 2.542,1232 3.827,1233 2.551,1234 0.165,1235 0.152,1236 0.258,1237 0.159,1238 0.123,1239 4.451,1240 0.147,1241 4.1,1242 0.076,1243 6.968,1244 0.434,1245 4.297,1246 0.121,1247 3.309,1248 3.979,1249 2.052,1250 11.713,1251 3.266,1252 1.891,1253 1.873,1254 2.039,1255 1.983,1256 1.38,1257 2.003,1258 1.866,1259 1.829,1260 1.974,1261 1.968,1262 1.076,1263 1.976,1264 1.556,1265 1.516,1266 1.692,1267 1.818,1268 0.913,1269 1.777,1270 1.19,1271 1.176,1272 1.432,1273 1.454,1274 0.713,1275 1.418,1276 1.164,1277 1.13,1278 1.365,1279 1.376,1280 0.547,1281 1.346,1282 1.119,1283 1.074,1284 1.181,1285 1.344,1286 0.227,1287 1.315,1288 0.886,1289 0.821,1290 1.159,1291 1.164,1292 0.218,1293 1.155,1294 0.858,1295 0.79,1296 1.024,1297 1.062,1298 0.01,1299 1.107,1300 4.007,1302 5.352,1303 3.045,1304 6.887,1305 5.476,1306 8.503,1307 7.627,1308 10.165,1311 5.856,1315 1.252,1320 -0.498,1321 1.238,1326 26.197,1327 67.122,1328 139.911,1329 163.421,1330 167.421,1331 167.421,1332 167.421,1333 47.616,1334 7.426,1335 76.3,1336 76.3,1337 22,1338 12.578,1339 3.907,1340 3.248,1341 34.007,1342 87,1343 90,1344 0.195,1345 161.552,1346 284.88,1347 385.947,1348 16858,1349 2.6,1350 16.681,1351 0.695,1352 0.56,1353 17.181,1354 13.44,1355 11.631,1356 0.431,1357 0.3,1358 7.639,1359 10.863,1360 7.498,1361 6.117,1362 11.92,1363 8.096,1364 10.689,1365 0.274,1366 0.163,1367 11.097,1368 6.363,1369 9.491,1370 0.176,1371 0.087,1372 9.779,1373 4.702,1374 7.935,1375 0.11,1376 0.046,1377 8.102,1378 3.313,1379 6.299,1380 0.072,1381 0.026,1382 6.513,1383 2.295,1384 0.306,1385 76.379,1386 0.234,1387 23.41,1388 0.536,1389 132,1390 436.345,1391 162.566,1392 443.268,1393 589.9,1394 412,1395 159,1396 412.391,1397 185.166,1398 418.858,1399 617.04,1400 395,1401 4.408}
{0 CHEMBL1461000,1 1.678,2 6.6,3 2.438,4 5.945,5 64.226,6 8.16,7 0.688,8 3.397,9 3.506,10 3.109,11 3.019,12 4.544,13 2.952,14 3.846,15 4.006,16 3.439,17 3.342,18 4.933,19 3.255,20 3.977,21 4.159,22 3.198,23 3.315,24 5.032,25 3.197,26 4.052,27 4.285,28 3.014,29 3.228,30 5.053,31 3.072,32 3.896,33 4.148,34 2.988,35 3.102,36 4.824,37 2.937,38 3.777,39 4.03,40 3.069,41 2.976,42 4.856,43 2.832,44 3.465,45 3.675,46 2.826,47 2.834,48 4.54,49 2.672,50 3.228,51 3.44,52 1.974,53 2.497,54 4.185,55 2.269,56 0.03,57 0.395,58 5.622,59 2.598,60 6.459,61 3.06,62 0.098,63 0.631,64 11.408,65 4.107,66 8.824,67 5.113,68 0.064,69 0.651,70 12.587,71 4.968,72 14.766,73 6.056,74 0.222,75 0.665,76 15.471,77 5.245,78 27.486,79 6.381,80 0.086,81 0.57,82 12.314,83 4.633,84 15.412,85 5.957,86 0.236,87 0.509,88 13.921,89 4.167,90 26.397,91 4.76,92 0.054,93 0.393,94 9.758,95 3.447,96 10.078,97 3.883,98 0.102,99 0.305,100 9.325,101 2.796,102 12.577,103 2.916,104 5,105 21,106 0.331,107 0.719,108 0.854,109 0.889,110 0.889,111 0.889,112 2.793,113 1.041,114 -3.13,115 -3.12,116 -3,120 40.7,121 1,126 1,143 3,144 2,145 1,146 1,152 1,163 1,174 5,177 1,180 1,182 4,185 6,194 3,197 4,201 1,205 1,206 3,209 1,214 1,219 3,222 1,227 2,230 1,232 1,235 2,240 2,247 2,274 220,275 10.069,276 10.069,277 10.069,278 10.069,279 10.069,280 8.618,281 12.809,282 6.094,283 10.457,284 7.894,285 7.894,286 7.894,287 7.894,288 7.894,289 5.824,290 18.522,291 2.917,292 8.551,293 3.077,294 1.11,295 0.426,296 0.25,297 0.25,298 0.25,299 3.44,306 1,307 1,308 207,309 2,312 41.329,313 49.437,320 1.013,321 10.757,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 32,333 99,334 4.235,335 3.105,336 6.066,337 3.842,338 2.863,339 3.882,340 0.657,341 8.748,342 2.802,343 3.913,344 2.654,345 5.348,346 3.373,347 2.523,348 3.476,350 6.982,351 2.151,352 3.443,353 2.359,354 4.918,355 3.078,356 2.093,357 2.756,359 5.664,360 2.041,361 2.91,362 1.885,363 4.237,364 2.532,365 1.576,366 2.048,368 3.985,369 1.5,370 2.641,371 1.34,372 3.51,373 2.165,374 1.238,375 1.694,377 2.732,378 1.136,379 2.118,380 0.746,381 3.024,382 1.494,383 0.618,384 0.927,386 1.372,387 0.519,388 1.819,389 0.618,390 3,391 1.414,392 0.561,393 0.686,395 1.296,396 0.484,397 1.311,398 0.442,399 2.392,400 1.004,401 0.07,402 0.082,404 0.151,405 0.064,406 0.718,407 -0.287,408 2.358,409 0.372,410 -0.6,411 -0.725,413 -1.617,414 -0.58,415 0.259,416 -0.626,417 1.867,418 -0.047,419 -1,420 -1.191,422 -2.415,423 -0.938,424 0.116,425 -0.996,426 1.326,427 -0.209,428 -1.14,429 -1.451,431 -2.836,432 -1.063,433 -0.118,434 -1.332,435 1.121,436 -0.594,437 -1.547,438 -1.994,440 -3.9,441 -1.243,442 -0.24,443 -1.48,444 1,445 -0.711,446 -1.618,447 -2.176,449 -4.287,450 -1.477,451 -0.289,452 -1.618,453 0.785,454 -0.826,455 -1.661,456 -2.427,458 -4.372,459 -1.565,460 -0.5,461 -1.791,462 0.677,463 -1,464 -1.977,465 -2.589,467 -5.312,468 -1.831,469 7.467,470 0.498,471 0.332,472 0.022,473 20.25,474 1.35,475 11,476 0.733,477 9.25,478 0.617,479 9.374,480 0.625,481 15.933,482 0.59,483 10.895,484 0.726,485 3.983,486 0.266,487 3.271,488 0.218,489 0.112,491 0.268,496 1.023,497 1.084,498 0.767,499 0.817,500 1.014,501 0.841,502 0.706,503 1.078,504 0.88,505 1.026,506 0.612,507 0.915,508 1.005,509 1.304,510 1.033,511 1.203,512 1.003,513 1.235,514 1.316,515 0.949,516 1.063,517 0.958,518 1.427,519 1.073,520 0.833,521 1.01,522 0.71,523 0.848,524 0.788,525 0.963,526 1.329,527 0.6,528 0.923,529 0.698,530 1.396,531 0.618,532 0.906,533 1.034,534 1.226,535 1.17,536 0.773,537 0.967,538 1.553,539 1.068,540 2.181,541 1.657,542 1.502,543 1.432,544 3,546 1.556,547 0.66,548 0.658,549 0.232,550 0.164,551 0.128,552 0.041,554 1695,555 4995,556 2.032,557 44.4,558 3,559 5,560 1,561 1,562 2,567 1.527,568 1.915,569 2.795,570 0.496,574 1,575 45.309,576 1.678,577 3.645,578 4.329,579 4.505,580 4.505,581 4.505,582 2.149,583 3.374,584 3.884,585 2.894,586 303.906,587 6.487,588 2562.37,590 1,592 1,593 128.382,594 1.338,595 3.843,596 0.188,598 0.074,599 0.039,600 0.051,601 0.019,602 0.014,603 0.013,604 0.01,606 0.407,607 0.83,608 1,609 0.648,610 59.213,611 -0.137,612 -0.002,613 0.042,614 0.107,615 -0.163,616 0.062,617 0.089,618 -0.006,619 0.07,620 -0.044,621 0.055,622 0.021,623 -0.085,624 -0.346,625 -0.203,626 -0.309,627 -0.058,628 -0.304,629 -0.108,630 -0.019,631 -0.173,632 -0.07,633 -0.174,634 -0.141,635 0.019,636 -0.123,637 0.127,638 0.023,639 0.063,640 0.01,641 0.05,642 0.376,643 0.229,644 0.336,645 0.019,646 0.351,647 -0.016,648 -0.034,649 0.003,650 -0.018,651 0.138,652 0.046,653 -0.476,654 -0.018,655 -0.778,656 -0.41,657 -0.406,658 -0.436,659 1.343,660 3.607,661 0.733,662 8.178,663 1.001,664 1.119,665 1.9,666 3.61,667 0.701,668 2.833,669 3.091,670 3.258,671 3.401,672 3.434,673 3.296,674 3.219,675 3.219,676 3.178,677 2.944,678 4.297,679 0.651,680 220.32,681 2.833,682 4.317,683 5.118,684 5.948,685 6.765,686 7.595,687 8.418,688 9.248,689 10.074,690 10.904,691 7.4,696 1,701 1,709 5,710 1,713 1,714 4,716 11,729 1,734 1,738 27,739 11,740 1,741 16,743 28,744 11,745 9,746 3,747 3,752 2,753 2,759 1,768 9,769 2,786 1,789 12,790 3,791 2,792 4,793 1,797 2,803 1,804 1,822 1,823 1,855 2,857 1,859 1,862 15,868 1,869 1,871 1,879 1,886 3.7,888 1,893 7.833,894 4.983,895 3.361,896 1.444,898 1.934,899 1.345,900 0.946,901 3.211,902 7.547,903 3.114,904 3.683,905 4.169,906 4.629,907 4.86,908 4.78,909 4.815,910 5.139,911 5.466,912 5.614,913 1,914 17,915 5.505,916 -0.001,917 2.237,918 7.733,919 10.514,921 8.243,924 2.233,925 33.5,926 0.004,929 117.711,930 94.206,931 34.796,933 42.683,935 31.278,936 62.928,937 160.394,938 34.796,939 8.825,940 2.106,941 36.078,942 89.251,943 15.919,944 11.771,945 125.447,947 117.711,948 97.724,949 42.683,950 31.278,952 117.711,953 42.683,956 20.479,957 42.449,958 34.796,959 31.278,960 117.711,961 77.48,962 94.206,965 117.711,966 40.255,967 53.95,968 18.011,969 59.469,970 117.711,971 77.48,972 94.206,973 0.571,974 0.32,975 0.159,976 0.077,977 10,978 4,979 0.107,980 3,982 1,983 2.821,984 91.605,986 11,987 58.603,989 1,993 10.428,994 4.619,995 2.687,997 77.48,998 9.244,999 4.109,1002 1.548,1003 3.231,1005 60.694,1006 289.396,1007 21.5,1020 27.025,1021 30.202,1022 0.353,1023 0.767,1024 0.91,1025 0.947,1026 0.947,1027 0.947,1028 4.287,1029 0.07,1030 5.069,1031 1.296,1032 3.761,1033 4.363,1034 0.623,1035 5.771,1036 3.626,1037 5.473,1038 -0.6,1039 6.564,1040 0.151,1041 3.219,1042 4.007,1044 6.447,1045 3.054,1046 6.748,1047 -1,1048 8.155,1049 -1.617,1050 5.252,1051 6.498,1052 0.317,1053 9.464,1054 5.016,1055 8.061,1056 -1.14,1057 9.801,1058 -2.415,1059 5.525,1060 6.973,1062 10.956,1063 5.249,1064 9.401,1065 -1.547,1066 11.482,1067 -2.836,1068 6.997,1069 8.873,1070 0.149,1071 13.455,1072 6.687,1073 10.761,1074 -1.618,1075 13.187,1076 -3.9,1077 7.65,1078 9.74,1080 15.295,1081 7.309,1082 12.134,1083 -1.661,1084 14.91,1085 -4.287,1086 8.883,1087 11.375,1088 0.067,1089 17.603,1090 8.524,1091 2.863,1092 -1.977,1093 16.646,1094 -4.372,1095 9.725,1096 12.448,1098 19.608,1099 9.344,1100 2.523,1101 8.748,1102 18.392,1103 -5.312,1104 10.85,1105 13.951,1106 0.03,1107 21.835,1108 10.458,1109 2.093,1110 6.982,1111 20.147,1112 3.882,1113 11.788,1114 15.137,1116 23.92,1117 11.381,1118 1.576,1119 5.664,1120 21.908,1121 3.476,1122 12.865,1123 16.569,1124 0.013,1125 26.113,1126 12.448,1127 1.238,1128 3.985,1129 23.675,1130 2.756,1131 13.852,1132 17.82,1134 28.237,1135 13.423,1136 0.618,1137 2.732,1138 25.447,1139 2.048,1140 14.907,1141 19.215,1142 0.006,1143 30.416,1144 14.47,1145 0.561,1146 1.372,1147 27.222,1148 1.694,1149 15.92,1150 20.504,1152 32.561,1153 15.472,1154 1722,1155 3041,1156 10.633,1157 18.921,1158 23.343,1159 23.278,1160 23.457,1161 23.005,1162 23.084,1163 31.104,1164 1.315,1165 61.857,1166 21.393,1167 5.071,1168 5.105,1169 5.696,1170 4.93,1171 4.863,1172 6.882,1173 1.315,1174 14.938,1175 4.802,1176 6.129,1177 1.459,1178 1.455,1179 1.466,1180 1.438,1181 1.443,1182 1.944,1183 0.082,1184 3.866,1185 1.337,1186 3.956,1187 3.984,1188 4.203,1189 3.891,1190 6.469,1191 3.883,1192 3.782,1193 3.809,1194 3.873,1195 3.769,1196 4.877,1197 3.689,1198 3.304,1199 3.379,1200 3.167,1201 3.146,1202 4.62,1203 3.136,1204 3.121,1205 3.194,1206 2.965,1207 2.933,1208 4.026,1209 2.926,1210 2.709,1211 2.79,1212 2.605,1213 2.525,1214 3.731,1215 2.521,1216 2.623,1217 2.692,1218 2.545,1219 2.315,1220 3.507,1221 2.304,1222 2.329,1223 2.432,1224 2.356,1225 2.2,1226 3.28,1227 2.103,1228 2.173,1229 2.249,1230 2.087,1231 2.007,1232 2.981,1233 1.965,1234 0.265,1235 0.194,1236 0.379,1237 0.24,1238 0.179,1239 4.235,1240 0.243,1241 3.105,1242 0.041,1243 6.066,1244 0.547,1245 3.842,1246 0.175,1247 2.863,1248 3.882,1249 0.657,1250 8.748,1251 2.802,1252 1.925,1253 1.902,1254 2.04,1255 2.018,1256 1.19,1257 2.026,1258 1.423,1259 1.383,1260 1.633,1261 1.653,1262 0.795,1263 1.652,1264 1.356,1265 1.31,1266 1.492,1267 1.486,1268 0.57,1269 1.515,1270 1.182,1271 1.126,1272 1.433,1273 1.393,1274 0.499,1275 1.427,1276 0.992,1277 0.945,1278 1.069,1279 1.108,1280 0.227,1281 1.168,1282 0.604,1283 0.509,1284 0.924,1285 0.939,1286 0.048,1287 0.927,1288 0.506,1289 0.441,1290 0.821,1291 0.823,1293 0.867,1296 0.511,1297 0.425,1299 0.476,1300 3.497,1302 4.762,1303 2.398,1304 6.205,1305 4.443,1306 7.731,1307 6.26,1308 9.301,1310 2.006,1314 9.607,1315 0.598,1317 3.156,1326 17.579,1327 45.309,1328 98.408,1329 116.872,1330 121.627,1331 121.627,1332 121.627,1333 17.648,1334 5.613,1335 45.15,1336 73.39,1337 11,1338 11.477,1339 3.585,1340 2.7,1341 23.689,1342 38,1343 29,1344 0.31,1345 115.578,1346 188.44,1347 273.771,1348 1556,1350 10.673,1351 0.712,1352 0.614,1353 11.027,1354 9.213,1355 7.254,1356 0.453,1357 0.347,1358 4.699,1359 6.579,1360 4.457,1361 3.744,1362 7.708,1363 5.553,1364 6.383,1365 0.304,1366 0.201,1367 6.993,1368 4.218,1369 5.045,1370 0.202,1371 0.113,1372 5.68,1373 2.828,1374 3.801,1375 0.131,1376 0.064,1377 4.365,1378 1.865,1379 2.663,1380 0.089,1381 0.034,1382 2.934,1383 1.016,1384 0.476,1385 49.551,1386 0.307,1387 15.368,1388 0.87,1389 74,1390 212.988,1391 102.996,1392 231.313,1393 312.36,1394 216,1395 83,1396 210.585,1397 105.471,1398 230.398,1399 329.65,1400 215,1401 4.687}
{0 CHEMBL1461129,1 1.58,2 9.87,3 3.621,4 13.111,5 84.195,6 7.692,7 0.44,8 3.811,9 3.912,10 3.399,11 3.363,12 4.958,13 3.351,14 4.332,15 4.493,16 3.721,17 3.678,18 5.503,19 3.652,20 4.508,21 4.687,22 3.804,23 3.747,24 5.776,25 3.737,26 4.555,27 4.721,28 3.701,29 3.802,30 5.771,31 3.748,32 4.566,33 4.753,34 3.642,35 3.813,36 5.781,37 3.715,38 4.664,39 4.927,40 3.531,41 3.703,42 5.717,43 3.595,44 4.41,45 4.627,46 3.478,47 3.436,48 5.702,49 3.402,50 4.203,51 4.398,52 3.196,53 3.258,54 5.493,55 3.223,56 0.049,57 0.616,58 7.699,59 4.084,60 9.215,61 4.861,62 0.265,63 0.965,64 15.346,65 6.457,66 34.608,67 8.11,68 0.476,69 1.132,70 19.745,71 6.963,72 58.132,73 8.378,74 0.479,75 1.109,76 20.503,77 7.929,78 66.633,79 9.354,80 0.444,81 1.092,82 20.398,83 8.47,84 64.998,85 11.016,86 0.432,87 1.103,88 26.214,89 9.267,90 67.027,91 12.551,92 0.45,93 0.94,94 19.861,95 6.711,96 64.223,97 8.155,98 0.47,99 0.868,100 16.126,101 5.297,102 77.272,103 5.596,104 26,105 36,106 0.279,107 0.605,108 0.752,109 0.794,110 0.82,111 0.82,112 3.188,113 0.914,114 -4.35,115 -4.28,116 -4.04,120 43.9,121 2,122 2,123 1,126 1,143 5,144 1,145 2,153 2,158 1,159 1,174 6,176 1,177 9,185 4,188 1,189 8,197 4,200 1,201 2,209 9,213 2,214 4,222 9,227 6,235 3,239 1,240 6,247 3,252 5,260 3,264 2,271 4,274 733,275 15.137,276 15.137,277 15.137,278 15.137,279 15.137,280 13.475,281 16.571,282 8.639,283 15.376,284 12.256,285 12.256,286 12.256,287 12.256,288 12.256,289 9.666,290 13.589,291 4.054,292 12.632,293 3.777,294 1.935,295 1.1,296 0.866,297 0.72,298 0.72,299 3.848,305 1,306 1,307 1,308 485,309 3.391,310 50.486,312 70.137,313 79.812,320 1.701,321 32.963,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51,333 227,334 4.627,335 3.837,336 6.912,337 4.227,338 3.265,339 4.369,340 2.459,341 11.507,342 3.151,343 4.048,344 3.656,345 6.112,346 3.879,347 2.886,348 3.584,349 1.48,350 8.813,351 2.859,352 3.995,353 3.253,354 6.071,355 3.642,356 2.65,357 3.177,358 0.227,359 8.61,360 2.616,361 3.711,362 2.879,363 5.207,364 3.306,365 2.346,366 3.048,368 6.357,369 2.24,370 3.256,371 2.34,372 4.856,373 2.859,374 1.899,375 2.498,377 5.343,378 1.804,379 3.04,380 2.276,381 4.826,382 2.732,383 1.765,384 2.166,386 4.822,387 1.698,388 2.896,389 2.072,390 4.392,391 2.583,392 1.586,393 1.893,395 4.223,396 1.561,397 2.5,398 1.713,399 4.06,400 2.013,401 1.032,402 1.5,404 2.956,405 1.003,406 2.474,407 1.307,408 3.414,409 2,410 1,411 1.416,413 2.275,414 1,415 1.691,416 1,417 3.046,418 1.308,419 0.347,420 0.416,422 0.784,423 0.324,424 1.274,425 0.612,426 2.708,427 0.984,428 0.026,429 0.03,431 0.058,432 0.024,433 0.781,434 0.452,435 2.391,436 0.495,437 -0.476,438 -0.567,440 -1.101,441 -0.43,442 0.691,443 0.059,444 2.167,445 0.447,446 -0.543,447 -0.603,449 -1.238,450 -0.551,451 0.525,452 -0.011,453 2,454 0.217,455 -0.801,456 -0.972,458 -2.024,459 -0.81,460 0.5,461 -0.426,462 2,463 0.04,464 -1,465 -1,467 -2.451,468 -1,469 10.686,470 0.465,471 0.703,472 0.031,473 27.5,474 1.196,475 13,476 0.565,477 14.5,478 0.63,479 18.759,480 0.816,481 25.314,482 0.617,483 20.204,484 0.878,485 5.477,486 0.238,487 5.492,488 0.239,489 0.183,491 0.412,494 1,496 0.592,497 1.109,498 0.707,499 1.12,500 0.512,501 0.983,502 0.676,503 1.118,504 0.753,505 1.057,506 0.533,507 0.956,508 1.155,509 0.96,510 0.984,511 0.876,512 1.046,513 0.859,514 1.214,515 0.938,516 1.223,517 1.055,518 1.201,519 1.126,520 0.568,521 0.859,522 1.058,523 1.233,524 0.615,525 1.276,526 0.765,527 0.786,528 0.782,529 0.894,530 0.776,531 0.862,532 1.306,533 1.069,534 0.943,535 0.925,536 1.351,537 0.868,538 2.053,539 1.318,540 1.526,541 1.017,542 2.068,543 1.092,544 5,545 0.052,546 3.167,547 2.486,548 1.407,549 0.785,550 0.589,551 0.275,552 0.233,553 0.126,554 5663,555 16997,556 2.016,557 43.9,558 4,559 7,563 7,567 1.657,568 1.84,569 3.269,570 -0.772,572 1,574 1,575 64.787,576 1.58,577 3.423,578 4.257,579 4.491,580 4.638,581 4.638,582 2.794,583 4.263,584 4.49,585 3.434,586 868.823,587 7.735,588 9862.3,589 1,590 1,592 1,593 219.66,594 1.538,595 4.428,596 0.2,597 0.005,598 0.096,599 0.071,600 0.045,601 0.028,602 0.024,603 0.012,604 0.014,605 0.01,606 0.505,607 0.33,608 1,609 0.675,610 107.761,611 -0.013,612 -0.103,613 0.045,614 -0.054,615 -0.022,616 -0.004,617 0.08,618 -0.174,619 0.118,620 -0.057,621 0.071,622 0.016,623 -0.096,624 0.088,625 -0.032,626 0.07,627 -0.065,628 0.056,629 -0.19,630 -0.004,631 -0.297,632 -0.075,633 -0.178,634 -0.187,635 0.123,636 -0.054,637 -0.177,638 -0.242,639 0.072,640 -0.285,641 0.015,642 -0.047,643 0.222,644 0.064,645 0.005,646 0.168,647 -0.087,648 -0.138,649 0.108,650 0.022,651 -0.067,652 0.088,653 -0.409,654 0.087,655 -0.434,656 -0.046,657 -0.364,658 -0.194,659 1.973,660 5.313,661 0.609,662 20.363,663 1.013,664 1.127,665 3.117,666 9.718,667 0.662,668 3.258,669 3.611,670 3.829,671 4.043,672 4.143,673 4.174,674 4.263,675 4.22,676 4.248,677 4.205,678 5.829,679 0.641,680 315.37,681 3.258,682 4.812,683 5.673,684 6.561,685 7.439,686 8.331,687 9.216,688 10.11,689 10.999,690 11.895,691 2.4,699 1,709 5,714 5,715 1,716 11,721 1,737 1,738 41,739 13,740 1,741 25,743 43,744 18,745 10,746 2,747 4,748 1,752 3,753 3,759 2,763 2,764 1,766 2,768 12,769 6,770 1,772 2,778 2,782 2,785 1,786 1,787 1,789 18,790 4,792 5,797 1,803 1,804 3,818 1,820 1,822 1,823 1,841 1,855 3,859 2,861 1,862 23,869 3,872 1,874 1,885 1,886 7.3,889 2,891 1,893 12.5,894 8.093,895 5,896 2.533,898 2.098,899 1.317,900 0.966,901 4.251,902 8.723,903 3.512,904 4.107,905 4.631,906 5.164,907 5.564,908 5.811,909 6.144,910 6.389,911 6.656,912 6.788,913 0.857,914 35,915 8.576,917 3.742,918 8.065,919 16.039,921 13.319,924 2.565,925 59,929 211.88,930 107.595,931 1.899,933 61.29,934 14.96,936 107.595,937 273.17,938 16.859,939 17.65,940 9.661,941 47.381,942 62.615,943 27.962,944 20.474,945 211.88,947 211.88,948 109.494,949 76.25,952 226.84,953 61.29,956 29.211,957 80.283,960 226.84,961 63.189,962 107.595,965 211.88,966 42.563,967 66.931,969 76.25,970 211.88,971 78.149,972 107.595,973 0.596,974 0.336,975 0.171,976 0.085,977 18,978 9,979 0.14,980 6,982 1,983 3.532,984 180.221,986 14,987 98.042,993 15.791,994 6.191,995 3.468,997 76.25,998 7.861,1003 2.623,1004 1.884,1006 397.624,1007 32.5,1013 23.85,1017 -0.508,1020 41.549,1021 46.203,1022 0.295,1023 0.639,1024 0.795,1025 0.838,1026 0.866,1027 0.866,1028 4.769,1029 1.032,1030 5.687,1031 4.223,1032 4.29,1033 4.792,1034 2.739,1035 6.529,1036 4.235,1037 6.004,1038 1,1039 7.281,1040 2.956,1041 4.111,1042 4.771,1043 2.243,1044 7.573,1045 4.038,1046 7.333,1047 0.347,1048 8.976,1049 2.275,1050 5.943,1051 6.977,1052 4.063,1053 10.638,1054 5.835,1055 8.694,1056 0.026,1057 10.727,1058 0.784,1059 6.509,1060 7.727,1061 4.269,1062 12.481,1063 6.381,1064 10.084,1065 -0.476,1066 12.513,1067 0.058,1068 7.897,1069 9.482,1070 5.626,1071 15.119,1072 7.738,1073 11.496,1074 -0.543,1075 14.325,1076 -1.101,1077 8.788,1078 10.592,1079 6.176,1080 17.296,1081 8.603,1082 12.926,1083 -0.801,1084 16.156,1085 -1.238,1086 10.017,1087 12.172,1088 7.311,1089 19.793,1090 9.802,1091 3.265,1092 -1,1093 18.003,1094 -2.024,1095 11.054,1096 13.462,1097 8.031,1098 22.116,1099 10.807,1100 2.886,1101 11.507,1102 19.862,1103 -2.451,1104 12.229,1105 14.971,1106 9.055,1107 24.567,1108 11.95,1109 2.65,1110 8.813,1111 21.731,1112 4.369,1113 13.332,1114 16.35,1115 9.86,1116 26.953,1117 13.018,1118 2.346,1119 8.61,1120 23.609,1121 3.584,1122 14.491,1123 17.832,1124 10.826,1125 29.392,1126 14.144,1127 1.899,1128 6.357,1129 25.494,1130 3.177,1131 15.626,1132 19.257,1133 11.675,1134 31.807,1135 15.242,1136 1.765,1137 5.343,1138 27.385,1139 3.048,1140 16.784,1141 20.729,1142 12.611,1143 34.244,1144 16.364,1145 1.586,1146 4.822,1147 29.281,1148 2.498,1149 17.935,1150 22.177,1151 13.483,1152 36.673,1153 17.477,1154 5526,1155 9674,1156 16.126,1157 27.159,1158 38.473,1159 40.089,1160 40.193,1161 37.595,1162 37.605,1163 48.196,1164 8.331,1165 111.498,1166 36.561,1167 5.596,1168 5.837,1169 6.326,1170 5.303,1171 5.265,1172 7.369,1173 4.279,1174 18.868,1175 5.151,1176 13.107,1177 1.539,1178 1.604,1179 1.608,1180 1.504,1181 1.504,1182 1.928,1183 0.333,1184 4.46,1185 1.462,1186 4.082,1187 4.117,1188 4.045,1189 3.971,1190 8.201,1191 3.984,1192 3.91,1193 3.947,1194 3.811,1195 3.791,1196 7.435,1197 3.787,1198 3.793,1199 3.821,1200 3.739,1201 3.713,1202 7.423,1203 3.714,1204 3.451,1205 3.477,1206 3.362,1207 3.222,1208 4.809,1209 3.248,1210 3.192,1211 3.285,1212 2.991,1213 3.014,1214 4.487,1215 2.989,1216 3.016,1217 3.021,1218 2.93,1219 2.735,1220 4.397,1221 2.772,1222 2.893,1223 2.966,1224 2.8,1225 2.727,1226 4.12,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.684,1232 3.862,1233 2.697,1234 0.185,1235 0.153,1236 0.276,1237 0.169,1238 0.131,1239 4.627,1240 0.175,1241 3.837,1242 0.098,1243 6.912,1244 0.46,1245 4.227,1246 0.126,1247 3.265,1248 4.369,1249 2.459,1250 11.507,1251 3.151,1252 1.909,1253 1.879,1254 2.005,1255 2.028,1256 1.117,1257 2.022,1258 1.685,1259 1.669,1260 1.821,1261 1.838,1262 0.967,1263 1.823,1264 1.538,1265 1.483,1266 1.747,1267 1.716,1268 0.846,1269 1.727,1270 1.392,1271 1.375,1272 1.597,1273 1.629,1274 0.836,1275 1.614,1276 1.18,1277 1.122,1278 1.513,1279 1.413,1280 0.825,1281 1.429,1282 1.153,1283 1.064,1284 1.458,1285 1.376,1286 0.668,1287 1.428,1288 0.886,1289 0.821,1290 1.206,1291 1.105,1292 0.318,1293 1.139,1294 0.846,1295 0.775,1296 1.181,1297 1.085,1298 0.218,1299 1.107,1300 3.932,1301 1.946,1302 5.273,1303 3.932,1304 6.799,1305 5.9,1306 8.404,1307 7.82,1308 10.052,1310 3.704,1312 13.071,1315 1.473,1318 5.06,1320 -0.019,1326 26.29,1327 64.787,1328 140.335,1329 174.54,1330 184.15,1331 190.15,1332 190.15,1333 51.064,1334 6.625,1335 48.3,1336 48.3,1337 14,1338 12.421,1339 3.807,1340 3.087,1341 36.87,1342 79,1343 78,1344 0.23,1345 160.742,1346 286.04,1347 383.97,1348 5601,1349 2.4,1350 16.56,1351 0.72,1352 0.571,1353 15.69,1354 13.135,1355 10.969,1356 0.439,1357 0.305,1358 7.509,1359 10.493,1360 7.278,1361 6.015,1362 10.575,1363 7.618,1364 10.203,1365 0.283,1366 0.164,1367 9.581,1368 5.902,1369 8.135,1370 0.181,1371 0.084,1372 7.724,1373 3.784,1374 6.465,1375 0.115,1376 0.046,1377 6.313,1378 2.601,1379 4.619,1380 0.075,1381 0.024,1382 4.384,1383 1.493,1384 0.358,1385 69.244,1386 0.249,1387 22.672,1388 0.638,1389 122,1390 438.963,1391 136.883,1392 389.534,1393 514.15,1394 362,1395 145,1396 364.286,1397 158.992,1398 359.61,1399 526.77,1400 338,1401 5.708}
{0 CHEMBL1461413,1 1.641,2 6.565,3 3.165,4 10.017,5 90.269,6 9.154,7 0.615,8 3.698,9 3.773,10 3.488,11 3.401,12 4.968,13 3.367,14 4.149,15 4.232,16 3.851,17 3.809,18 5.332,19 3.76,20 4.421,21 4.54,22 3.939,23 3.929,24 5.62,25 3.888,26 4.537,27 4.679,28 4.04,29 4.005,30 5.809,31 3.957,32 4.573,33 4.713,34 4.108,35 4.029,36 5.906,37 3.97,38 4.565,39 4.726,40 4.017,41 3.897,42 5.908,43 3.816,44 4.352,45 4.572,46 3.49,47 3.575,48 5.635,49 3.392,50 3.822,51 4.122,52 2.316,53 2.863,54 4.805,55 2.549,56 0.064,57 0.437,58 4.967,59 2.913,60 14.355,61 2.927,62 0.098,63 0.68,64 9.864,65 5.255,66 13.147,67 5.627,68 0.24,69 0.892,70 12.843,71 6.652,72 34.105,73 7.31,74 0.253,75 1.068,76 16.05,77 7.656,78 49.212,79 8.446,80 0.233,81 1.108,82 15.988,83 7.932,84 47.397,85 8.562,86 0.362,87 1.175,88 19.684,89 8.116,90 55.881,91 7.712,92 0.328,93 0.982,94 21.901,95 8.213,96 60.847,97 8.648,98 0.182,99 0.635,100 17.088,101 5.586,102 36.547,103 6.298,104 11,105 38,106 0.292,107 0.662,108 0.794,109 0.873,110 0.893,111 0.903,112 3.192,113 0.922,114 -3.4,115 -3.38,116 -3.24,120 51.4,123 1,137 1,140 1,143 6,144 4,145 2,152 2,159 1,164 1,165 1,166 1,174 12,177 3,179 1,180 1,182 2,185 17,187 1,189 4,192 1,194 3,197 15,199 1,200 1,201 5,203 1,204 1,206 5,209 12,211 2,214 5,218 1,219 7,221 1,222 10,224 3,227 5,232 5,235 7,237 3,240 3,243 1,245 3,247 4,249 2,252 1,257 1,260 1,262 1,274 645,275 15.853,276 15.853,277 15.853,278 15.853,279 15.853,280 13.512,281 13.663,282 9.203,283 16.244,284 12.781,285 12.781,286 12.781,287 12.781,288 12.781,289 9.258,290 15.635,291 4.252,292 13.412,293 3.488,294 1.415,295 0.672,296 0.229,297 0.114,298 0.057,299 3.887,305 1,306 1,307 1,308 329,309 2.345,312 39.831,313 122.208,317 136.429,320 0.926,321 23.931,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49,333 151,334 4.747,335 4.155,336 7.18,337 4.383,338 3.402,339 4.601,340 2.278,341 12.651,342 3.341,343 4.304,344 3.658,345 6.428,346 3.857,347 2.871,348 3.837,349 1.248,350 9.846,351 2.832,352 3.915,353 3.06,354 5.943,355 3.475,356 2.535,357 3.425,358 1.041,359 8.202,360 2.373,361 3.826,362 2.868,363 5.709,364 3.312,365 2.35,366 3.292,368 7.423,369 2.257,370 3.46,371 2.512,372 5.253,373 2.996,374 2.027,375 2.837,377 6.202,378 1.962,379 3.246,380 2.176,381 4.585,382 2.549,383 1.635,384 2.153,386 4.431,387 1.493,388 2.944,389 1.996,390 4,391 2.379,392 1.399,393 1.928,395 3.028,396 1.355,397 2.813,398 1.427,399 3.662,400 2.121,401 1.185,402 1.671,404 2.954,405 1.103,406 2.484,407 1.322,408 3.59,409 1.913,410 1,411 1.425,413 2.346,414 0.893,415 2.225,416 1.145,417 3.336,418 1.531,419 0.618,420 0.927,422 1.372,423 0.55,424 2.118,425 0.777,426 3.007,427 1.481,428 0.596,429 0.891,431 1.237,432 0.519,433 1.354,434 0.618,435 3,436 0.97,437 0.04,438 0.05,440 0.094,441 0.037,442 1.283,443 0.23,444 2.689,445 0.771,446 -0.191,447 -0.273,449 -0.413,450 -0.183,451 0.936,452 -0.048,453 2.467,454 0.442,455 -0.491,456 -0.694,458 -1.236,459 -0.45,460 0.59,461 -0.423,462 2.211,463 0.194,464 -0.757,465 -0.967,467 -1.956,468 -0.715,469 11.3,470 0.491,471 0.555,472 0.024,473 33.25,474 1.446,475 19,476 0.826,477 14.25,478 0.62,479 16.77,480 0.729,481 22.3,482 0.637,483 23.524,484 1.023,485 6.368,486 0.277,487 4.835,488 0.21,489 0.1,491 0.398,496 0.955,497 0.714,498 0.699,499 0.663,500 0.834,501 0.65,502 0.66,503 0.893,504 0.909,505 0.999,506 0.478,507 0.887,508 0.925,509 0.981,510 0.764,511 0.903,512 0.719,513 0.954,514 0.969,515 0.92,516 0.783,517 0.865,518 0.834,519 0.901,520 1.053,521 1.071,522 0.811,523 0.928,524 1.072,525 0.968,526 1.522,527 1.179,528 1.093,529 1.077,530 1.493,531 1.095,532 1.047,533 1.136,534 1.417,535 1.272,536 1.22,537 1.254,538 0.745,539 1.057,540 1.738,541 1.372,542 1.317,543 1.293,544 3.5,546 2.667,547 1.903,548 2.243,549 1.166,550 0.647,551 0.217,552 0.05,554 4657,555 14600,556 2.141,557 34.3,558 1,559 6,560 2,562 3,567 1.671,568 2,569 2.722,570 0.989,572 1,574 1,575 57.447,576 1.641,577 3.715,578 4.458,579 4.901,580 5.015,581 5.072,582 2.094,583 4.056,584 4.499,585 2.825,586 714.737,587 7.819,588 7826.49,589 1,590 1,591 1,592 1,593 179.525,594 1.422,595 4.454,596 0.135,598 0.07,599 0.045,600 0.05,601 0.026,602 0.018,603 0.012,604 0.013,606 0.369,607 0.5,608 1,609 0.777,610 102.325,611 -0.143,612 0.212,613 0.016,614 0.169,615 -0.125,616 0.124,617 0.073,618 -0.015,619 -0.091,620 -0.094,621 0.034,622 -0.048,623 0.065,624 -0.108,625 -0.068,626 -0.085,627 -0.001,628 -0.083,629 0.013,630 0.02,631 0.002,632 -0.006,633 0.056,634 0.003,635 -0.022,636 -0.119,637 0.032,638 -0.037,639 0.012,640 -0.065,641 -0.213,642 -0.145,643 -0.048,644 -0.084,645 -0.192,646 -0.157,647 -0.034,648 -0.096,649 -0.106,650 -0.104,651 0.017,652 -0.131,653 -0.069,654 0.065,655 -0.192,656 -0.067,657 -0.173,658 0.012,659 1.674,660 4.363,661 0.826,662 13.607,663 1.01,664 1.097,665 2.173,666 4.723,667 0.754,668 3.296,669 3.664,670 4.043,671 4.419,672 4.727,673 4.898,674 5.043,675 5.124,676 5.176,677 5.069,678 4.355,679 0.723,680 320.39,681 3.296,682 4.86,683 5.759,684 6.683,685 7.608,686 8.543,687 9.476,688 10.413,689 11.35,690 12.288,691 5.7,692 1,700 1,708 2,709 8,713 1,714 4,716 16,734 1,735 1,738 35,739 18,740 2,741 26,743 38,744 18,745 14,746 5,747 5,752 4,753 7,764 1,767 1,768 16,769 1,770 1,772 1,782 2,785 1,786 1,789 12,790 4,791 3,792 5,793 1,797 2,803 0.5,804 2,822 1,823 3,827 2,833 1,846 1,848 1,855 2,857 1,862 23,863 1,868 1,872 1,874 1,877 1,880 1,882 1,884 1,886 5.7,888 1,891 1,893 11.5,894 6.317,895 5.056,896 1.947,898 3.601,899 1.483,900 1.02,901 3.333,902 11.055,903 3.638,904 4.287,905 4.962,906 5.633,907 6.216,908 6.672,909 7.151,910 7.584,911 7.987,912 8.151,913 1,914 42,915 8.48,917 3.784,918 7.87,919 15.942,921 13.623,924 2.37,925 54.5,929 105.94,930 144.796,931 63.957,933 53.683,935 31.278,936 113.518,937 159.623,938 63.957,940 32.897,941 72.156,942 59.285,943 66.82,944 23.542,945 113.675,947 105.94,948 177.475,949 53.683,950 31.278,952 105.94,953 53.683,956 63.957,957 113.518,959 31.278,960 105.94,961 117.64,962 144.796,965 105.94,966 56.038,967 72.156,968 16.602,969 117.64,970 105.94,971 117.64,972 144.796,973 0.583,974 0.369,975 0.225,976 0.13,977 21,978 9,979 0.026,980 1,981 2,982 1.211,983 3.318,984 207.541,985 0.211,986 19,987 104.042,989 1,993 14.255,994 5.377,995 2.127,996 1.835,997 117.64,998 15.298,1002 1.555,1003 2.106,1005 75.581,1006 368.375,1007 37,1017 0.411,1020 35.353,1021 38.411,1022 0.32,1023 0.724,1024 0.869,1025 0.955,1026 0.978,1027 0.989,1028 4.898,1029 1.185,1030 5.765,1031 3.028,1032 4.344,1033 4.973,1034 2.759,1035 6.673,1036 4.264,1037 6.146,1038 1,1039 7.378,1040 2.954,1041 4.007,1042 4.832,1043 1.06,1044 7.763,1045 3.93,1046 7.487,1047 0.618,1048 9.098,1049 2.346,1050 6.014,1051 7.268,1052 4.07,1053 10.96,1054 5.895,1055 8.865,1056 0.596,1057 10.88,1058 1.372,1059 6.538,1060 7.995,1061 2.057,1062 12.901,1063 6.418,1064 10.276,1065 0.04,1066 12.704,1067 1.237,1068 8.008,1069 9.861,1070 5.62,1071 15.633,1072 7.863,1073 11.711,1074 -0.191,1075 14.554,1076 0.094,1077 8.916,1078 10.994,1079 3.537,1080 17.921,1081 8.765,1082 13.164,1083 -0.491,1084 16.425,1085 -0.413,1086 10.198,1087 12.637,1088 7.233,1089 20.509,1090 10.03,1091 3.402,1092 -0.757,1093 18.312,1094 -1.236,1095 11.276,1096 13.969,1097 5.286,1098 22.942,1099 11.097,1100 2.871,1101 12.651,1102 20.21,1103 -1.956,1104 12.499,1105 15.526,1106 8.862,1107 25.487,1108 12.304,1109 2.535,1110 9.846,1111 22.119,1112 4.601,1113 13.651,1114 16.954,1115 7.087,1116 27.979,1117 13.443,1118 2.35,1119 8.202,1120 24.035,1121 3.837,1122 14.859,1123 18.481,1124 10.494,1125 30.513,1126 14.636,1127 2.027,1128 7.423,1129 25.96,1130 3.425,1131 16.044,1132 19.956,1133 8.88,1134 33.03,1135 15.806,1136 1.635,1137 6.202,1138 27.89,1139 3.292,1140 17.252,1141 21.474,1142 12.128,1143 35.562,1144 16.998,1145 1.399,1146 4.431,1147 29.825,1148 2.837,1149 18.454,1150 22.973,1151 10.654,1152 38.09,1153 18.183,1154 4487,1155 8035,1156 17.512,1157 26.375,1158 40.855,1159 42.406,1160 41.234,1161 39.228,1162 39.312,1163 54.073,1164 9.135,1165 119.575,1166 37.43,1167 5.588,1168 6.155,1169 6.861,1170 5.474,1171 5.402,1172 7.601,1173 4.525,1174 20.253,1175 5.341,1176 9.818,1177 1.571,1178 1.631,1179 1.586,1180 1.509,1181 1.512,1182 2.08,1183 0.351,1184 4.599,1185 1.44,1186 4.136,1187 4.146,1188 4.228,1189 4.097,1190 6.82,1191 4.092,1192 3.859,1193 3.872,1194 4.054,1195 3.884,1196 6.47,1197 3.82,1198 3.64,1199 3.658,1200 3.67,1201 3.558,1202 5.13,1203 3.547,1204 3.409,1205 3.438,1206 3.353,1207 3.301,1208 4.834,1209 3.307,1210 3.058,1211 3.106,1212 3.027,1213 2.966,1214 4.644,1215 2.96,1216 2.987,1217 3.08,1218 2.913,1219 2.682,1220 4.388,1221 2.724,1222 2.774,1223 2.817,1224 2.745,1225 2.615,1226 3.92,1227 2.607,1228 2.677,1229 2.739,1230 2.622,1231 2.512,1232 3.748,1233 2.508,1234 0.183,1235 0.16,1236 0.276,1237 0.169,1238 0.131,1239 4.747,1240 0.177,1241 4.155,1242 0.088,1243 7.18,1244 0.487,1245 4.383,1246 0.129,1247 3.402,1248 4.601,1249 2.278,1250 12.651,1251 3.341,1252 2.094,1253 2.083,1254 2.155,1255 2.153,1256 1.365,1257 2.153,1258 1.737,1259 1.715,1260 1.829,1261 1.843,1262 1.021,1263 1.839,1264 1.421,1265 1.397,1266 1.559,1267 1.556,1268 0.628,1269 1.557,1270 1.357,1271 1.335,1272 1.479,1273 1.511,1274 0.563,1275 1.507,1276 1.288,1277 1.287,1278 1.274,1279 1.304,1280 0.442,1281 1.399,1282 1.02,1283 0.981,1284 1.194,1285 1.192,1286 0.277,1287 1.188,1288 0.838,1289 0.759,1290 1.069,1291 1.144,1293 1.152,1294 0.672,1295 0.632,1296 0.891,1297 0.949,1299 0.931,1300 3.97,1302 5.323,1303 2.398,1304 6.897,1305 4.443,1306 8.585,1307 6.293,1308 10.338,1313 5.941,1314 10.363,1318 5.591,1320 -0.341,1324 9.571,1325 2.17,1326 25.294,1327 57.447,1328 130.015,1329 156.015,1330 171.525,1331 175.525,1332 177.525,1333 38.355,1334 7.455,1335 79.27,1336 107.51,1337 23,1338 12.785,1339 4.248,1340 3.585,1341 31.317,1342 59,1343 54,1344 0.269,1345 157.297,1346 269.51,1347 375.565,1348 15431,1350 15.974,1351 0.695,1352 0.557,1353 16.328,1354 12.801,1355 11.203,1356 0.431,1357 0.307,1358 7.069,1359 10.44,1360 6.837,1361 5.627,1362 11.703,1363 7.99,1364 10.07,1365 0.265,1366 0.161,1367 10.567,1368 6.121,1369 9.091,1370 0.162,1371 0.085,1372 9.606,1373 4.774,1374 8.295,1375 0.101,1376 0.046,1377 8.87,1378 3.765,1379 6.949,1380 0.062,1381 0.023,1382 7.286,1383 2.559,1384 0.388,1385 74.252,1386 0.239,1387 21.375,1388 0.857,1389 128,1390 363.703,1391 155.084,1392 382.344,1393 525.3,1394 356,1395 158,1396 378.614,1397 181.453,1398 399.594,1399 587.92,1400 376,1401 4.381}
{0 CHEMBL1461730,1 1.627,2 9.571,3 2.065,4 4.265,5 76.645,6 7.562,7 0.5,8 3.728,9 3.846,10 3.288,11 3.209,12 4.924,13 3.209,14 4.222,15 4.392,16 3.651,17 3.558,18 5.415,19 3.544,20 4.451,21 4.628,22 3.629,23 3.625,24 5.739,25 3.577,26 4.597,27 4.872,28 3.455,29 3.503,30 5.794,31 3.445,32 4.201,33 4.409,34 3.39,35 3.402,36 5.456,37 3.354,38 4.138,39 4.314,40 3.291,41 3.391,42 5.318,43 3.326,44 4.244,45 4.529,46 2.999,47 3.278,48 5.218,49 3.139,50 3.844,51 4.097,52 2.765,53 2.92,54 4.846,55 2.806,56 0.063,57 0.55,58 7.497,59 3.222,60 6.911,61 4.197,62 0.247,63 0.825,64 13.932,65 5.254,66 29.233,67 7.138,68 0.402,69 0.969,70 18.121,71 6.058,72 40.293,73 8.357,74 0.655,75 0.937,76 25.464,77 6.02,78 90.34,79 9.094,80 0.356,81 0.709,82 15.111,83 5.195,84 48.788,85 7.025,86 0.187,87 0.724,88 12.938,89 4.736,90 26.271,91 6.442,92 0.38,93 0.709,94 17.032,95 4.905,96 38.516,97 7.627,98 0.189,99 0.471,100 10.918,101 3.602,102 24.694,103 5.329,104 29,105 31,106 0.294,107 0.649,108 0.742,109 0.789,110 0.789,111 0.789,112 3.102,113 0.884,114 -2.75,115 -2.77,116 -2.68,120 39.5,121 3,124 1,143 4,145 1,146 1,148 1,152 1,153 1,159 2,174 5,177 4,180 3,182 3,185 3,188 1,189 5,192 2,194 6,200 1,201 3,206 1,209 1,213 2,214 5,218 1,222 5,227 5,235 5,243 2,245 1,247 1,255 1,257 4,263 1,264 1,269 1,274 520,275 13.403,276 13.403,277 13.403,278 13.403,279 13.403,280 11.85,281 17.997,282 7.813,283 13.529,284 10.835,285 10.835,286 10.835,287 10.835,288 10.835,289 8.457,290 27.037,291 3.718,292 11.019,293 3.621,294 1.652,295 1.139,296 0.876,297 0.876,298 0.876,299 3.752,305 1,306 1,307 1,308 411,309 3.937,312 69.482,313 76.88,320 1.823,321 25.003,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.5,333 201,334 4.391,335 3.943,336 7.058,337 4.297,338 3.293,339 3.749,340 1.907,341 11.368,342 3.302,343 4.193,344 3.572,345 6.054,346 3.84,347 2.846,348 3.637,349 1.058,350 8.705,351 2.83,352 3.982,353 2.721,354 5.49,355 3.556,356 2.588,357 3.459,358 0.149,359 7.375,360 2.496,361 3.493,362 2.487,363 5.159,364 3.132,365 2.179,366 2.783,368 6.452,369 2.072,370 3.137,371 2.25,372 4.274,373 2.665,374 1.654,375 2.329,377 3.979,378 1.662,379 2.767,380 2.159,381 4.171,382 2.38,383 1.352,384 1.717,386 3.603,387 1.375,388 2.5,389 1.04,390 3.414,391 1.959,392 1,393 1.5,395 2.275,396 0.957,397 2.282,398 1,399 3.238,400 1.789,401 0.786,402 1.126,404 1.873,405 0.784,406 2.118,407 0.757,408 3,409 1.618,410 0.618,411 0.927,413 1.372,414 0.618,415 1.477,416 0.618,417 2.881,418 1.08,419 0.098,420 0.126,422 0.232,423 0.095,424 0.92,425 0.342,426 2.504,427 0.524,428 -0.486,429 -0.628,431 -1.269,432 -0.483,433 0.5,434 -0.343,435 2,436 0.016,437 -1,438 -1,440 -2.353,441 -0.968,442 0.483,443 -0.809,444 2,446 -1,447 -1,449 -2.856,450 -0.998,451 0.154,452 -1,453 2,455 -1,456 -1.358,458 -3,459 -1,461 -1,462 1.91,463 -0.026,464 -1,465 -1.5,467 -3,468 -1,469 9.7,470 0.462,471 0.727,472 0.035,473 27.5,474 1.31,475 14,476 0.667,477 13.5,478 0.643,479 15.178,480 0.723,481 23.3,482 0.613,483 19.263,484 0.917,485 5.393,486 0.257,487 4.466,488 0.213,489 0.223,490 0.052,491 0.258,496 0.768,497 1.409,498 0.779,499 1.177,500 0.601,501 1.001,502 0.661,503 1.147,504 0.687,505 1.02,506 0.551,507 0.888,508 0.952,509 1.453,510 1.165,511 1.398,512 0.989,513 1.339,514 1.394,515 0.639,516 0.974,517 0.549,518 1.555,519 0.634,520 0.926,521 0.789,522 0.839,523 0.848,524 1.191,525 0.84,526 0.994,527 1.449,528 1.186,529 1.38,530 0.95,531 1.336,532 0.661,533 0.742,534 0.983,535 0.82,536 0.468,537 0.927,538 0.634,539 1.152,540 0.861,541 1.119,542 0.818,543 1.063,544 6,545 0.112,546 2.667,547 0.903,548 1.272,549 0.545,550 0.334,551 0.283,552 0.133,553 0.145,554 4405,555 13187,556 1.93,557 44.7,558 9,559 4,560 1,561 1,562 2,567 1.625,568 1.762,569 3.235,570 0.378,571 1,572 1,574 1,575 61.821,576 1.627,577 3.595,578 4.109,579 4.372,580 4.372,581 4.372,582 2.72,583 3.785,584 4.364,585 3.449,586 724.241,587 7.442,588 8029.61,589 1,590 1,592 1,593 199.421,594 1.705,595 4.283,596 0.273,597 0.009,598 0.086,599 0.033,600 0.055,601 0.024,602 0.017,603 0.02,604 0.012,605 0.013,606 0.543,607 0.5,608 1,609 1.33,610 96.87,611 -0.07,612 -0.176,613 0.027,614 -0.079,615 -0.077,616 -0.013,617 0.152,618 -0.037,619 0.203,620 0.02,621 0.103,622 0.098,623 0.041,624 -0.381,625 -0.24,626 -0.418,627 -0.006,628 -0.4,629 -0.192,630 0.252,631 0.109,632 0.308,633 -0.129,634 0.289,635 0.07,636 0.19,637 0.127,638 0.157,639 0.006,640 0.148,641 -0.155,642 -0.376,643 -0.295,644 -0.354,645 -0.159,646 -0.359,647 0.057,648 0.203,649 0.01,650 0.101,651 0.034,652 0.062,653 0.128,654 -0.248,655 0.114,656 -0.133,657 0.016,658 -0.042,659 2.043,660 4.831,661 0.524,662 18.512,663 1.012,664 1.132,665 1.523,666 2.319,667 0.65,668 3.135,669 3.466,670 3.584,671 3.664,672 3.761,673 3.714,674 3.761,675 3.892,676 3.807,677 3.714,678 6.019,679 0.629,680 287.35,681 3.135,682 4.673,683 5.476,684 6.333,685 7.157,686 8.008,687 8.839,688 9.687,689 10.521,690 11.368,691 7.9,698 2,701 1,709 6,710 1,712 1,714 3,716 11,723 1,738 38,739 13,741 22,743 39,744 15,745 9,748 1,752 2,753 2,759 3,760 1,768 11,769 4,772 2,778 2,782 2,785 1,786 1,788 1,789 17,790 6,791 2,792 6,797 3,803 1,804 3,816 1,822 1,823 1,838 1,855 2,859 3,862 21,871 2,876 1,886 7.9,889 2,891 1,893 11.917,894 7.7,895 4.528,896 2.089,898 1.928,899 1.31,900 0.918,901 4.435,902 8.142,903 3.418,904 3.966,905 4.402,906 4.816,907 5.118,908 5.211,909 5.44,910 5.784,911 5.887,912 6,913 1,914 27,915 7.733,917 3.215,918 8.028,919 14.264,921 11.074,924 2.528,925 53.083,929 176.567,930 105.11,931 52.807,933 59.797,936 105.11,937 236.364,938 52.807,939 26.476,940 36.022,941 49.644,942 88.256,943 21.312,944 19.548,945 153.024,947 176.567,948 157.917,949 59.797,952 176.567,953 59.797,956 71.545,957 69.587,958 16.786,960 176.567,961 112.604,962 105.11,965 176.567,966 19.943,967 85.168,968 36.022,969 76.583,970 176.567,971 112.604,972 105.11,973 0.595,974 0.322,975 0.139,976 0.069,977 14,978 7,979 0.103,980 4,982 1,983 3.32,984 147.111,986 11,987 87.484,993 15.263,994 6.102,995 4.166,997 112.604,998 9.392,999 4.075,1001 4.984,1003 1.165,1005 36.022,1006 394.281,1007 29.5,1013 23.586,1017 -0.476,1020 38.473,1021 43.03,1022 0.31,1023 0.685,1024 0.783,1025 0.833,1026 0.833,1027 0.833,1028 4.652,1029 0.786,1030 5.517,1031 2.275,1032 4.143,1033 4.649,1034 2.229,1035 6.323,1036 4.114,1037 5.878,1038 0.618,1039 7.098,1040 1.873,1041 4.007,1042 4.494,1043 1.593,1044 7.516,1045 3.993,1046 7.193,1047 0.098,1048 8.793,1049 1.372,1050 5.814,1051 6.756,1052 3.033,1053 10.422,1054 5.764,1055 8.542,1056 -0.486,1057 10.558,1058 0.232,1059 6.447,1060 7.338,1061 3.032,1062 12.389,1063 6.425,1064 9.918,1065 -1,1066 12.367,1067 -1.269,1068 7.814,1069 9.107,1070 4.086,1071 14.927,1072 7.766,1073 11.313,1074 -1,1075 14.208,1076 -2.353,1077 8.753,1078 10.014,1079 4.409,1080 17.174,1081 8.731,1082 12.721,1083 -1,1084 16.071,1085 -2.856,1086 9.977,1087 11.571,1088 5.267,1089 19.62,1090 9.943,1091 3.293,1092 -1,1093 17.951,1094 -3,1095 11.045,1096 12.643,1097 5.75,1098 21.974,1099 11.031,1100 2.846,1101 11.368,1102 19.845,1103 -3,1104 12.224,1105 14.093,1106 6.507,1107 24.399,1108 12.208,1109 2.588,1110 8.705,1111 21.749,1112 3.749,1113 13.349,1114 15.255,1115 7.068,1116 26.796,1117 13.346,1118 2.179,1119 7.375,1120 23.662,1121 3.637,1122 14.518,1123 16.646,1124 7.773,1125 29.219,1126 14.517,1127 1.654,1128 6.452,1129 25.582,1130 3.459,1131 15.67,1132 17.862,1133 8.374,1134 31.634,1135 15.679,1136 1.352,1137 3.979,1138 27.507,1139 2.783,1140 16.84,1141 19.219,1142 9.051,1143 34.059,1144 16.853,1145 1,1146 3.603,1147 29.438,1148 2.329,1149 18.006,1150 20.466,1151 9.674,1152 36.482,1153 18.027,1154 4490,1155 7920,1156 13.811,1157 24.71,1158 33.864,1159 34.699,1160 33.116,1161 32.814,1162 32.827,1163 42.707,1164 6.229,1165 94.469,1166 32.381,1167 5.249,1168 5.943,1169 6.655,1170 5.35,1171 5.293,1172 6.749,1173 3.306,1174 18.191,1175 5.252,1176 12.694,1177 1.539,1178 1.577,1179 1.505,1180 1.492,1181 1.492,1182 1.941,1183 0.283,1184 4.294,1185 1.472,1186 3.96,1187 3.991,1188 3.915,1189 3.804,1190 7.431,1191 3.825,1192 3.861,1193 3.879,1194 3.808,1195 3.709,1196 7.427,1197 3.729,1198 3.737,1199 3.785,1200 3.638,1201 3.613,1202 5.053,1203 3.609,1204 3.293,1205 3.346,1206 3.221,1207 3.037,1208 4.888,1209 3.078,1210 3.059,1211 3.101,1212 2.958,1213 2.778,1214 4.273,1215 2.814,1216 2.874,1217 3.009,1218 2.634,1219 2.618,1220 4.017,1221 2.581,1222 2.874,1223 3.009,1224 2.574,1225 2.618,1226 3.804,1227 2.57,1228 2.774,1229 2.853,1230 2.499,1231 2.567,1232 3.621,1233 2.57,1234 0.2,1235 0.179,1236 0.321,1237 0.195,1238 0.15,1239 4.391,1240 0.17,1241 3.943,1242 0.087,1243 7.058,1244 0.517,1245 4.297,1246 0.15,1247 3.293,1248 3.749,1249 1.907,1250 11.368,1251 3.302,1252 1.852,1253 1.813,1254 1.997,1255 2.018,1256 1.183,1257 2.005,1258 1.734,1259 1.687,1260 1.906,1261 1.899,1262 0.955,1263 1.909,1264 1.532,1265 1.509,1266 1.671,1267 1.705,1268 0.721,1269 1.672,1270 1.352,1271 1.336,1272 1.475,1273 1.586,1274 0.469,1275 1.574,1276 1.047,1277 0.992,1278 1.417,1279 1.361,1280 0.469,1281 1.323,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.399,1287 1.308,1288 0.934,1289 0.804,1290 1.228,1291 1.239,1292 0.228,1293 1.308,1294 0.767,1295 0.723,1296 1.028,1297 1.128,1299 1.085,1300 3.807,1302 5.13,1303 2.398,1304 6.616,1305 4.443,1306 8.169,1307 6.293,1308 9.754,1310 5.481,1317 5.356,1322 -0.48,1326 23.896,1327 61.821,1328 136.627,1329 156.137,1330 166.137,1331 166.137,1332 166.137,1333 45.002,1334 6.215,1335 84.23,1336 84.23,1337 11,1338 11.93,1339 3.807,1340 3.087,1341 39.607,1342 78,1343 55,1344 0.258,1345 151.749,1346 262.43,1347 362.027,1348 3425,1350 15.458,1351 0.736,1352 0.578,1353 15.458,1354 12.136,1355 9.859,1356 0.448,1357 0.295,1358 6.377,1359 9.405,1360 6.099,1361 5.175,1362 9.859,1363 6.485,1364 9.647,1365 0.311,1366 0.18,1367 9.647,1368 5.568,1369 7.041,1370 0.201,1371 0.077,1372 7.041,1373 2.689,1374 4.801,1375 0.126,1376 0.038,1377 4.801,1378 1.446,1379 3.475,1380 0.083,1381 0.021,1382 3.475,1383 0.883,1384 0.412,1385 62.489,1386 0.269,1387 21.238,1388 0.686,1389 106,1390 361.517,1391 119.855,1392 344.095,1393 456.25,1394 318,1395 119,1396 328.608,1397 133.162,1398 331.687,1399 475.07,1400 308,1401 6.796}
{0 CHEMBL1462352,1 1.726,2 6.316,3 3.492,4 12.193,5 66.102,6 9.147,7 0.55,8 3.488,9 3.6,10 3.19,11 3.043,12 4.843,13 3.067,14 4.014,15 4.168,16 3.701,17 3.408,18 5.89,19 3.439,20 4.14,21 4.274,22 3.764,23 3.571,24 5.673,25 3.585,26 4.346,27 4.547,28 3.782,29 3.567,30 5.874,31 3.585,32 4.278,33 4.464,34 3.705,35 3.41,36 6.17,37 3.425,38 4.238,39 4.501,40 3.26,41 3.093,42 5.763,43 3.097,44 3.956,45 4.263,46 2.579,47 2.524,48 5.464,49 2.516,50 2.762,51 3.004,52 1.9,53 1.561,54 4.551,55 1.635,56 0.158,57 0.67,58 3.552,59 2.567,60 37.207,61 2.548,62 0.755,63 1.347,64 9.456,65 4.492,66 147.388,67 4.83,68 0.391,69 1.183,70 7.488,71 4.658,72 59.248,73 5.181,74 0.537,75 1.351,76 13.635,77 5.889,78 101.326,79 6.771,80 0.652,81 1.311,82 11.441,83 5.147,84 167.29,85 5.854,86 0.765,87 1.078,88 17.005,89 5.183,90 143.407,91 5.606,92 0.887,93 0.673,94 17.312,95 4.286,96 169.72,97 4.253,98 0.15,99 0.254,100 2.992,101 0.743,102 47.913,103 0.651,104 54,105 31,106 0.33,107 0.729,108 0.756,109 0.782,110 0.822,111 0.822,112 3.013,113 0.815,114 -3.84,115 -3.8,116 -3.61,120 44.8,121 2,133 1,143 2,144 4,145 1,147 2,159 1,164 1,165 1,166 1,174 6,177 4,182 2,185 8,187 2,189 3,194 1,197 7,199 1,200 1,201 2,203 2,204 2,206 2,209 4,211 2,214 2,219 3,222 3,224 3,227 2,240 3,274 290,275 11.842,276 11.842,277 11.842,278 11.842,279 11.842,280 10.379,281 12.676,282 6.506,283 12.161,284 9.762,285 9.762,286 9.762,287 9.762,288 9.762,289 7.418,290 10.937,291 2.965,292 10.385,293 3.132,294 1.044,295 0.906,296 0.768,297 0.561,298 0.561,299 3.652,306 1,307 1,308 241,309 3.24,313 88.687,317 76.216,320 1.069,321 39.679,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 44,333 120,334 4.763,335 4.484,336 7.312,337 4.365,338 3.449,339 4.676,340 3.825,341 12.588,342 3.236,343 4.343,344 4.058,345 6.688,346 3.988,347 3.062,348 3.811,349 2.035,350 10.642,351 2.807,352 3.921,353 3.228,354 5.998,355 3.505,356 2.546,357 3.244,359 8.272,360 2.384,361 3.51,362 2.698,363 5.255,364 3.099,365 2.114,366 2.882,368 6.134,369 2.082,370 3.449,371 2.315,372 5.013,373 2.854,374 1.89,375 2.546,377 5.845,378 1.799,379 2.96,380 2.064,381 4.467,382 2.313,383 1.386,384 1.814,386 3.98,387 1.266,388 2.729,389 1.629,390 3.558,391 1.701,392 0.767,393 1.278,395 1.498,396 0.712,397 1.579,398 0.757,399 3.23,400 1.176,401 0.217,402 0.282,404 0.569,405 0.207,406 1.304,407 0.51,408 2.654,409 0.641,410 -0.299,411 -0.491,413 -0.556,414 -0.279,415 0.868,416 0.51,417 2.552,418 0.517,419 -0.473,420 -0.591,422 -1.188,423 -0.469,424 0.481,425 0.453,426 2.438,427 0.183,428 -0.796,429 -1,431 -2.122,432 -0.7,433 0.119,434 -0.162,435 2.056,436 -0.18,437 -1,438 -1,440 -3,441 -0.7,443 -0.489,444 2,445 -0.3,446 -1,447 -1.001,449 -3,450 -0.777,452 -0.856,453 2,454 -0.3,455 -1.137,456 -1.402,458 -3.485,459 -1.086,460 -0.229,461 -0.957,462 1.507,463 -0.529,464 -1.526,465 -1.982,467 -4.196,468 -1.497,469 8.557,470 0.45,471 0.834,472 0.044,473 25.25,474 1.329,475 13.5,476 0.711,477 11.75,478 0.618,479 13.841,480 0.728,481 20.843,482 0.719,483 19.745,484 1.039,485 5.049,486 0.266,487 3.704,488 0.195,489 0.311,490 0.058,491 0.409,493 3,496 0.583,497 0.869,498 0.606,499 0.913,500 0.64,501 0.822,502 0.348,503 0.656,504 0.403,505 0.744,506 0.343,507 0.662,508 0.444,509 0.862,510 0.676,511 1.141,512 0.494,513 1.1,514 0.684,515 0.961,516 0.733,517 1.051,518 0.651,519 0.971,520 0.705,521 1.032,522 0.955,523 1.369,524 0.686,525 1.361,526 1.34,527 1.144,528 1.263,529 1.019,530 1.258,531 1.049,532 2.106,533 1.177,534 1.675,535 0.661,536 2.072,537 0.806,538 1.535,539 1.353,540 1.612,541 1.214,542 2.254,543 1.296,544 6,546 3.111,547 2.313,548 2.28,549 1.069,550 0.326,551 0.205,554 2366,555 10113,556 1.866,557 34.5,558 6,559 2,562 2,567 1.614,568 1.64,569 2.656,570 0.445,572 1,573 1,574 1,575 50.047,576 1.726,577 3.814,578 3.952,579 4.09,580 4.297,581 4.297,582 2.184,583 3.497,584 4.222,585 2.761,586 472.207,587 7.246,588 4492.35,590 1,592 1,593 140.881,594 1.758,595 4.09,596 0.3,598 0.1,599 0.068,600 0.069,601 0.04,602 0.02,603 0.029,606 0.627,607 0.83,608 1,609 1.096,610 79.05,611 -0.054,612 0.009,613 -0.016,614 0.076,615 -0.11,616 0.071,617 0.496,618 0.336,619 0.413,620 0.279,621 0.461,622 0.295,623 0.128,624 -0.013,625 -0.017,626 -0.19,627 0.052,628 -0.208,629 0.007,630 -0.173,631 0.15,632 -0.123,633 0.042,634 0.01,635 0.186,636 -0.093,637 -0.062,638 -0.436,639 0.261,640 -0.444,641 -0.231,642 -0.212,643 -0.089,644 -0.073,645 -0.179,646 -0.011,647 -0.471,648 0.016,649 -0.209,650 0.378,651 -0.49,652 0.311,653 -0.407,654 -0.423,655 -0.517,656 -0.447,657 -0.624,658 -0.47,659 5.954,660 4.885,661 0.526,662 10.776,663 1.044,664 1.158,665 2.611,666 6.816,667 0.677,668 3.045,669 3.466,670 3.714,671 4.007,672 4.263,673 4.317,674 4.331,675 4.248,676 4.025,677 3.611,678 4.02,679 0.684,680 265.26,681 3.045,682 4.635,683 5.501,684 6.435,685 7.33,686 8.261,687 9.167,688 10.096,689 11.006,690 11.934,691 10.3,695 1,700 1,701 1,708 2,709 2,710 1,714 5,716 11,718 1,728 1,738 29,739 12,740 1,741 20,743 30,744 13,745 9,746 4,747 2,752 2,753 3,759 3,765 1,767 1,768 9,769 3,786 1,787 3,789 10,790 6,791 2,792 6,797 3,803 0.5,816 1,823 2,827 1,855 1,859 2,861 3,862 19,863 1,876 1,877 1,882 1,884 1,885 3,893 11.583,894 6.079,895 4.056,896 1.611,898 2.596,899 1.409,900 0.981,901 2.964,902 8.937,903 3.35,904 4.034,905 4.698,906 5.369,907 6.006,908 6.407,909 6.808,910 7.044,911 7.344,912 7.051,913 1,914 34,915 7.587,917 3.863,918 8.68,919 12.324,921 9.958,924 3.18,925 60.417,929 94.169,930 80.751,931 80.742,934 44.88,936 80.751,937 94.169,938 125.622,939 17.65,941 51.85,942 33.387,943 95.727,945 94.169,946 7.76,947 94.169,948 161.494,949 44.88,952 94.169,953 44.88,956 61.37,957 83.338,958 16.786,960 139.049,961 80.742,962 80.751,965 101.928,966 19.787,967 36.603,968 16.602,969 125.622,970 94.169,971 125.622,972 80.751,973 0.61,974 0.356,975 0.195,976 0.114,977 16,978 9,981 1,982 1.2,983 2.79,984 145.33,985 0.2,986 10,987 75.956,993 13.331,994 4.224,995 2.137,996 0.552,997 125.622,998 3.354,999 3.591,1003 -0.581,1005 32.897,1006 300.543,1007 27.5,1020 30.262,1021 33.59,1022 0.355,1023 0.785,1024 0.814,1025 0.842,1026 0.885,1027 0.885,1028 4.652,1029 0.217,1030 5.602,1031 1.498,1032 4.143,1033 4.718,1034 3.371,1035 6.547,1036 4.032,1037 5.961,1038 -0.299,1039 7.266,1040 0.569,1041 4.205,1042 4.89,1043 3.903,1044 7.879,1045 3.953,1046 7.342,1047 -0.473,1048 9.037,1049 -0.556,1050 5.938,1051 7.097,1052 5.562,1053 10.936,1054 5.702,1055 8.755,1056 -0.796,1057 10.866,1058 -1.188,1059 6.698,1060 7.994,1061 6.69,1062 12.981,1063 6.322,1064 10.192,1065 -1,1066 12.731,1067 -2.122,1068 8.058,1069 9.781,1070 8.102,1071 15.667,1072 7.671,1073 11.649,1074 -1,1075 14.619,1076 -3,1077 9.091,1078 11.015,1079 9.388,1080 17.99,1081 8.591,1082 13.122,1083 -1.137,1084 16.526,1085 -3,1086 10.34,1087 12.641,1088 10.747,1089 20.558,1090 9.803,1091 3.449,1092 -1.526,1093 18.445,1094 -3.485,1095 11.482,1096 14.036,1097 12.074,1098 22.994,1099 10.855,1100 3.062,1101 12.588,1102 20.375,1103 -4.196,1104 12.701,1105 15.602,1106 13.42,1107 25.525,1108 12.023,1109 2.546,1110 10.642,1111 22.313,1112 4.676,1113 13.886,1114 17.073,1115 14.758,1116 28.008,1117 13.133,1118 2.114,1119 8.272,1120 24.258,1121 3.811,1122 15.1,1123 18.616,1124 16.101,1125 30.529,1126 14.29,1127 1.89,1128 6.134,1129 26.209,1130 3.244,1131 16.305,1132 20.123,1133 17.441,1134 33.033,1135 15.427,1136 1.386,1137 5.845,1138 28.164,1139 2.882,1140 17.522,1141 21.661,1142 18.783,1143 35.554,1144 16.584,1145 0.767,1146 3.98,1147 30.124,1148 2.546,1149 18.737,1150 23.184,1151 20.124,1152 38.069,1153 17.735,1154 2558,1155 5429,1156 11.849,1157 19.637,1158 32.51,1159 33.089,1160 33.443,1161 31.041,1162 30.864,1163 41.066,1164 11.72,1165 99.057,1166 28.989,1167 5.424,1168 6.484,1169 6.815,1170 5.407,1171 5.449,1172 7.676,1173 5.86,1174 20.505,1175 5.236,1176 13.098,1177 1.625,1178 1.654,1179 1.672,1180 1.552,1181 1.543,1182 2.053,1183 0.586,1184 4.953,1185 1.449,1186 4.108,1187 4.132,1188 4.087,1189 4.04,1190 8.513,1191 4.047,1192 3.662,1193 3.698,1194 3.636,1195 3.547,1196 7.999,1197 3.559,1198 3.331,1199 3.395,1200 3.323,1201 3.152,1202 7.999,1203 3.146,1204 3.263,1205 3.337,1206 3.112,1207 2.997,1208 6.82,1209 3.036,1210 3.083,1211 3.152,1212 3.018,1213 2.871,1214 5.12,1215 2.91,1216 2.846,1217 2.981,1218 2.651,1219 2.501,1220 4.755,1221 2.509,1222 2.654,1223 2.751,1224 2.47,1225 2.352,1226 4.303,1227 2.373,1228 2.516,1229 2.624,1230 2.239,1231 2.272,1232 3.925,1233 2.256,1234 0.238,1235 0.224,1236 0.366,1237 0.218,1238 0.172,1239 4.763,1240 0.234,1241 4.484,1242 0.191,1243 7.312,1244 0.629,1245 4.365,1246 0.162,1247 3.449,1248 4.676,1249 3.825,1250 12.588,1251 3.236,1252 2.063,1253 2.043,1254 2.125,1255 2.146,1256 1.288,1257 2.139,1258 1.611,1259 1.58,1260 1.722,1261 1.76,1262 0.807,1263 1.747,1264 1.313,1265 1.24,1266 1.634,1267 1.518,1268 0.716,1269 1.559,1270 1.11,1271 1.056,1272 1.299,1273 1.456,1274 0.369,1275 1.386,1276 0.983,1277 0.924,1278 1.198,1279 1.233,1280 0.095,1281 1.229,1282 0.768,1283 0.645,1284 0.945,1285 1.165,1287 1.134,1288 0.56,1289 0.464,1290 0.926,1291 0.885,1293 0.874,1294 0.521,1295 0.417,1296 0.723,1297 0.795,1299 0.821,1300 3.714,1302 5.106,1304 6.696,1306 8.383,1308 10.124,1310 3.462,1312 38.655,1313 5.702,1322 -4.704,1324 8.891,1325 1.494,1326 19.848,1327 50.047,1328 110.617,1329 114.617,1330 118.617,1331 124.617,1332 124.617,1333 49.693,1334 6.34,1335 62.7,1336 62.7,1337 12,1338 12.44,1339 3.7,1340 3.087,1341 33.221,1342 50,1343 38,1344 0.388,1345 124.17,1346 219.67,1347 294.734,1348 3408,1349 10.3,1350 14.37,1351 0.756,1352 0.54,1353 11.87,1354 10.26,1355 8.752,1356 0.438,1357 0.272,1358 5.323,1359 8.324,1360 5.142,1361 4.278,1362 7.541,1363 5.431,1364 9.021,1365 0.291,1366 0.14,1367 7.026,1368 4.337,1369 6.707,1370 0.168,1371 0.071,1372 5.926,1373 2.845,1374 5.783,1375 0.107,1376 0.038,1377 5.193,1378 2.062,1379 4.704,1380 0.067,1381 0.019,1382 3.762,1383 1.314,1384 0.56,1385 55.814,1386 0.291,1387 18.049,1388 1.226,1389 102,1390 492.936,1391 122.792,1392 405.023,1393 518.07,1394 370,1395 122,1396 357.07,1397 137.43,1398 348.682,1399 528.71,1400 324,1401 5.502}
{0 CHEMBL1462498,1 1.69,2 13.071,3 3.642,4 13.266,5 109.273,6 8.072,7 0.548,8 4.004,9 4.119,10 3.68,11 3.579,12 5.126,13 3.546,14 4.527,15 4.686,16 4.053,17 3.959,18 5.632,19 3.901,20 4.742,21 4.936,22 4.121,23 4.062,24 5.812,25 3.993,26 4.745,27 4.967,28 4.006,29 4,30 5.814,31 3.897,32 4.657,33 4.884,34 3.909,35 3.912,36 5.762,37 3.784,38 4.518,39 4.733,40 3.801,41 3.776,42 5.586,43 3.662,44 4.431,45 4.647,46 3.731,47 3.67,48 5.656,49 3.557,50 4.35,51 4.569,52 3.572,53 3.56,54 5.451,55 3.466,56 0.053,57 0.764,58 9.589,59 4.44,60 8.46,61 5.391,62 0.28,63 1.23,64 21.175,65 7.904,66 25.98,67 9.824,68 0.315,69 1.451,70 25.992,71 9.05,72 36.433,73 11.557,74 0.379,75 1.459,76 27.823,77 9.096,78 41.468,79 11.93,80 0.438,81 1.289,82 27.017,83 9.33,84 51.42,85 11.776,86 0.297,87 1.156,88 24.513,89 7.688,90 35.53,91 9.105,92 0.468,93 1.062,94 23.441,95 7.107,96 56.047,97 8.538,98 0.318,99 0.934,100 22.616,101 6.518,102 35.888,103 7.6,104 11,105 43,106 0.284,107 0.653,108 0.799,109 0.846,110 0.86,111 0.86,112 3.374,113 0.981,114 -4.52,115 -4.44,116 -4.18,120 40.8,122 4,125 1,126 1,143 5,144 2,145 2,147 1,148 1,150 1,151 1,159 1,164 1,165 1,166 1,174 8,176 2,177 9,179 1,180 2,182 3,185 8,187 1,189 8,194 4,197 7,199 1,200 1,201 7,203 2,204 2,206 2,209 4,211 2,213 2,214 5,217 3,219 1,222 4,224 1,227 3,232 2,235 4,237 2,239 2,240 6,242 1,243 2,244 1,245 2,246 1,247 2,249 1,252 6,257 1,260 1,264 4,269 4,271 2,273 2,274 1260,275 19.127,276 19.127,277 19.127,278 19.127,279 19.127,280 16.964,281 22.114,282 11.281,283 19.721,284 15.27,285 15.27,286 15.27,287 15.27,288 15.27,289 11.8,290 21.181,291 5.345,292 16.171,293 3.924,294 1.731,295 0.865,296 0.587,297 0.505,298 0.505,299 4.075,306 1,307 1,308 804,309 3.317,313 292.455,317 219.102,320 1.867,321 27.812,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60.5,333 366,334 4.59,335 4.462,336 6.565,337 4.106,338 3.146,339 4.537,340 3.359,341 10.442,342 3.031,343 4.064,344 3.582,345 6.045,346 3.677,347 2.719,348 3.648,349 1.737,350 8.691,351 2.608,352 4.038,353 3.213,354 5.555,355 3.653,356 2.685,357 3.553,358 0.86,359 7.574,360 2.596,361 3.705,362 2.871,363 5.316,364 3.35,365 2.399,366 2.988,367 0.146,368 6.811,369 2.279,370 3.542,371 2.826,372 5.206,373 3.09,374 2.203,375 2.885,377 6.536,378 1.935,379 3.396,380 2.523,381 5.087,382 2.916,383 1.981,384 2.76,386 5.917,387 1.857,388 3.3,389 2.364,390 4.735,391 2.877,392 1.909,393 2.514,395 5.251,396 1.805,397 2.807,398 2.087,399 4.431,400 2.512,401 1.541,402 1.891,404 4.289,405 1.491,406 2.5,407 1.823,408 3.625,409 2.392,410 1.404,411 1.5,413 3.01,414 1.384,415 2.483,416 1.416,417 3.549,418 2,419 1,420 1.483,422 2.275,423 1,424 2.019,425 1.16,426 3.414,427 1.736,428 0.814,429 0.941,431 2.08,432 0.738,433 1.77,434 1,435 3.154,436 1.497,437 0.619,438 0.691,440 1.351,441 0.537,442 1.691,443 0.997,444 2.852,445 1.34,446 0.477,447 0.546,449 0.847,450 0.401,451 1.242,452 0.587,453 2.769,454 0.844,455 -0.08,456 -0.099,458 -0.195,459 -0.073,460 1.138,461 0.45,462 2.56,463 0.763,464 -0.184,465 -0.229,467 -0.394,468 -0.171,469 13.5,470 0.482,471 0.639,472 0.023,473 38,474 1.357,475 19.5,476 0.696,477 18.5,478 0.661,479 22.418,480 0.801,481 29.7,482 0.606,483 26.51,484 0.947,485 7.01,486 0.25,487 6.608,488 0.236,489 0.091,491 0.333,496 0.849,497 1.209,498 0.738,499 0.934,500 0.719,501 0.881,502 0.769,503 1.131,504 0.919,505 1.094,506 0.559,507 0.946,508 1.087,509 1.193,510 0.853,511 0.974,512 1.065,513 0.96,514 0.929,515 1.06,516 0.999,517 1.03,518 0.839,519 1.037,520 0.765,521 0.957,522 1.044,523 1.018,524 1.059,525 0.998,526 1.318,527 1.144,528 1.333,529 1.127,530 1.484,531 1.028,532 0.891,533 1.001,534 1.374,535 1.163,536 0.939,537 1.024,538 1.47,539 1.021,540 1.39,541 1.142,542 1.503,543 0.947,544 6,545 0.115,546 2.667,547 1.5,548 2.053,549 0.639,550 0.628,551 0.295,552 0.193,553 0.229,554 11093,555 29152,556 2.115,557 42.9,558 6,559 10,562 3,563 2,567 1.705,568 2,569 3.644,570 0.953,572 1,575 82.834,576 1.69,577 3.883,578 4.75,579 5.028,580 5.11,581 5.11,582 3.098,583 4.379,584 4.778,585 3.798,586 1435.56,587 8.277,588 19583.3,590 1,592 1,593 275.121,594 1.333,595 4.748,596 0.194,597 0.005,598 0.062,599 0.034,600 0.055,601 0.019,602 0.022,603 0.011,604 0.008,605 0.01,606 0.42,607 0.17,608 1,609 0.689,610 143.076,611 -0.085,612 -0.063,613 0.055,614 0.038,615 -0.069,616 0.044,617 0.141,618 -0.058,619 0.064,620 -0.048,621 0.13,622 0.018,623 -0.103,624 -0.165,625 0.058,626 -0.025,627 -0.079,628 -0.012,629 -0.027,630 -0.023,631 -0.012,632 -0.063,633 -0.002,634 -0.081,635 0.172,636 0.047,637 0.045,638 0.025,639 0.101,640 -0.007,641 -0.233,642 -0.072,643 -0.123,644 -0.034,645 -0.214,646 -0.07,647 0.22,648 0.095,649 -0.11,650 -0.051,651 0.276,652 -0.071,653 -0.238,654 0.02,655 -0.146,656 -0.039,657 -0.128,658 0.017,659 1.809,660 5.215,661 0.714,662 28.571,663 1.006,664 1.126,665 3.286,666 10.801,667 0.687,668 3.466,669 3.784,670 4.043,671 4.304,672 4.585,673 4.644,674 4.771,675 4.883,676 4.984,677 4.927,678 7.37,679 0.652,680 395.53,681 3.466,682 5.004,683 5.849,684 6.723,685 7.585,686 8.464,687 9.335,688 10.217,689 11.093,690 11.978,691 10.2,695 1,698 1,701 3,708 2,709 5,710 3,714 6,716 17,728 1,735 1,738 49,739 18,740 1,741 31,743 52,744 20,745 13,746 2,747 4,752 4,753 7,763 4,766 4,768 14,769 6,772 1,778 1,782 1,786 1,789 21,790 7,791 3,792 8,793 1,797 5,803 0.5,804 2,816 1,817 1,823 4,827 2,838 1,855 2,856 1,857 1,859 1,862 28,863 1,869 5,871 1,872 1,873 1,886 4.1,889 1,891 1,893 14,894 9.1,895 6.167,896 2.918,898 3.254,899 1.419,900 1.005,901 5.648,902 11.021,903 3.726,904 4.344,905 4.925,906 5.529,907 6.149,908 6.451,909 6.816,910 7.18,911 7.51,912 7.493,913 0.889,914 44,915 10.349,917 4.405,918 7.726,919 19.812,921 16.294,924 2.226,925 62.333,927 1,928 1,929 211.88,930 127.478,931 101.265,933 36.145,935 32.22,936 95.259,937 248.025,938 101.265,939 10.883,940 29.049,941 80.278,942 80.206,943 29.231,944 3.021,945 244.099,947 211.88,948 196.523,949 36.145,950 32.22,952 213.595,953 36.145,956 32.498,957 111.953,958 50.357,959 32.22,960 211.88,961 137.409,962 127.478,965 211.88,966 69.214,967 58.264,968 18.011,969 119.399,970 211.88,971 137.409,972 127.478,973 0.579,974 0.336,975 0.18,976 0.104,977 21,978 9,979 0.096,980 5,981 2,982 1.2,983 4.092,984 238.095,985 0.2,986 20,987 130.606,989 1,993 18.975,994 8.335,995 4.396,996 1.388,997 137.409,998 9.236,999 13.547,1003 4.654,1005 50.908,1006 476.767,1007 40.5,1013 12.215,1017 -0.143,1020 49.309,1021 55.152,1022 0.301,1023 0.692,1024 0.846,1025 0.895,1026 0.91,1027 0.91,1028 4.958,1029 1.541,1030 5.826,1031 5.251,1032 4.466,1033 5.03,1034 3.399,1035 6.611,1036 4.363,1037 6.164,1038 1.404,1039 7.366,1040 4.289,1041 4.007,1042 4.902,1043 1.593,1044 7.424,1045 3.875,1046 7.474,1047 1,1048 8.999,1049 3.01,1050 6.038,1051 7.266,1052 5.576,1053 10.505,1054 5.848,1055 8.818,1056 0.814,1057 10.688,1058 2.275,1059 6.365,1060 7.938,1061 3.522,1062 12.126,1063 6.146,1064 10.192,1065 0.619,1066 12.411,1067 2.08,1068 7.864,1069 9.804,1070 7.946,1071 14.727,1072 7.602,1073 11.586,1074 0.477,1075 14.16,1076 1.351,1077 8.577,1078 10.873,1079 5.91,1080 16.722,1081 8.285,1082 12.998,1083 -0.08,1084 15.927,1085 0.847,1086 9.849,1087 12.529,1088 10.351,1089 19.15,1090 9.523,1091 3.146,1092 -0.184,1093 17.71,1094 -0.195,1095 10.763,1096 13.811,1097 8.482,1098 21.326,1099 10.404,1100 2.719,1101 10.442,1102 19.505,1103 -0.394,1104 11.938,1105 15.377,1106 12.763,1107 23.691,1108 11.547,1109 2.685,1110 8.691,1111 21.311,1112 4.537,1113 12.956,1114 16.771,1115 11.074,1116 25.951,1117 12.53,1118 2.399,1119 7.574,1120 23.126,1121 3.648,1122 14.094,1123 18.298,1124 15.176,1125 28.295,1126 13.635,1127 2.203,1128 6.811,1129 24.95,1130 3.553,1131 15.165,1132 19.749,1133 13.65,1134 30.597,1135 14.671,1136 1.981,1137 6.536,1138 26.78,1139 2.988,1140 16.291,1141 21.262,1142 17.59,1143 32.935,1144 15.763,1145 1.909,1146 5.917,1147 28.616,1148 2.885,1149 17.392,1150 22.742,1151 16.206,1152 35.257,1153 16.827,1154 10433,1155 17098,1156 20.978,1157 33.676,1158 45.845,1159 49.885,1160 46.939,1161 45.715,1162 45.789,1163 59.873,1164 12.207,1165 130.146,1166 43.327,1167 5.534,1168 6.462,1169 6.249,1170 5.241,1171 5.146,1172 7.537,1173 6.685,1174 17.405,1175 5.031,1176 12.082,1177 1.479,1178 1.609,1179 1.514,1180 1.475,1181 1.477,1182 1.931,1183 0.394,1184 4.198,1185 1.398,1186 4.084,1187 4.121,1188 4.111,1189 3.983,1190 7.429,1191 3.992,1192 3.917,1193 3.945,1194 3.877,1195 3.828,1196 5.227,1197 3.831,1198 3.718,1199 3.772,1200 3.804,1201 3.609,1202 4.874,1203 3.592,1204 3.53,1205 3.556,1206 3.535,1207 3.404,1208 4.841,1209 3.37,1210 3.253,1211 3.314,1212 3.249,1213 3.053,1214 4.453,1215 3.058,1216 3.187,1217 3.265,1218 3.055,1219 2.953,1220 4.407,1221 2.959,1222 3.132,1223 3.211,1224 3.015,1225 2.941,1226 4.011,1227 2.94,1228 2.981,1229 3.076,1230 2.898,1231 2.764,1232 3.861,1233 2.748,1234 0.148,1235 0.144,1236 0.212,1237 0.132,1238 0.101,1239 4.59,1240 0.146,1241 4.462,1242 0.108,1243 6.565,1244 0.337,1245 4.106,1246 0.098,1247 3.146,1248 4.537,1249 3.359,1250 10.442,1251 3.031,1252 2.021,1253 1.989,1254 2.118,1255 2.141,1256 1.416,1257 2.133,1258 1.883,1259 1.859,1260 1.989,1261 1.999,1262 1.068,1263 1.996,1264 1.692,1265 1.644,1266 1.831,1267 1.855,1268 0.999,1269 1.863,1270 1.446,1271 1.421,1272 1.595,1273 1.663,1274 0.827,1275 1.653,1276 1.198,1277 1.134,1278 1.537,1279 1.487,1280 0.743,1281 1.514,1282 1.145,1283 1.076,1284 1.457,1285 1.389,1286 0.574,1287 1.389,1288 1.117,1289 1.038,1290 1.329,1291 1.347,1292 0.434,1293 1.379,1294 0.896,1295 0.821,1296 1.181,1297 1.199,1298 0.218,1299 1.199,1300 4.143,1302 5.46,1304 6.976,1306 8.587,1308 10.25,1310 1.601,1313 6.131,1315 4.515,1317 2.838,1318 5.109,1319 1.243,1326 31.938,1327 82.834,1328 190.286,1329 232.756,1330 246.366,1331 250.366,1332 250.366,1333 44.631,1334 7.767,1335 103.02,1336 128.32,1337 24,1338 12.513,1339 4.248,1340 3.392,1341 42.773,1342 124,1343 138,1344 0.166,1345 199.792,1346 339.75,1347 479.252,1348 27683,1350 19.51,1351 0.697,1352 0.585,1353 19.863,1354 16.383,1355 13.619,1356 0.439,1357 0.327,1358 9.109,1359 12.662,1360 8.803,1361 7.291,1362 14.073,1363 10.135,1364 12.228,1365 0.284,1366 0.176,1367 12.805,1368 7.572,1369 10.272,1370 0.183,1371 0.099,1372 10.972,1373 5.528,1374 8.522,1375 0.117,1376 0.053,1377 9.197,1378 3.888,1379 7.216,1380 0.074,1381 0.03,1382 7.929,1383 2.874,1384 0.267,1385 89.867,1386 0.218,1387 27.237,1388 0.434,1389 148,1390 438.912,1391 185.896,1392 445.154,1393 610.76,1394 418,1395 173,1396 437.788,1397 205.851,1398 456.513,1399 667.97,1400 428,1401 4.273}
{0 CHEMBL1462745,1 1.862,2 11.107,3 3.573,4 12.769,5 94.902,6 9.27,7 0.567,8 3.875,9 3.968,10 3.593,11 3.394,12 5.204,13 3.433,14 4.37,15 4.491,16 4.034,17 3.735,18 6.155,19 3.776,20 4.534,21 4.68,22 3.982,23 3.809,24 5.978,25 3.825,26 4.649,27 4.839,28 3.947,29 3.747,30 6.113,31 3.778,32 4.564,33 4.76,34 3.904,35 3.694,36 6.041,37 3.716,38 4.459,39 4.609,40 3.815,41 3.671,42 5.906,43 3.701,44 4.486,45 4.638,46 3.852,47 3.655,48 6.225,49 3.666,50 4.389,51 4.593,52 3.652,53 3.544,54 5.751,55 3.524,56 0.283,57 0.82,58 4.971,59 3.697,60 37.47,61 3.521,62 0.945,63 1.595,64 10.925,65 6.109,66 147.774,67 6.091,68 0.764,69 1.366,70 13.778,71 7.079,72 82.664,73 7.358,74 1.072,75 1.465,76 20.255,77 7.664,78 143.777,79 7.762,80 1.029,81 1.305,82 20.057,83 7.259,84 133.268,85 8.05,86 0.904,87 1.175,88 15.332,89 6.738,90 142.922,91 6.065,92 1.139,93 1.121,94 15.888,95 6.512,96 188.578,97 6.677,98 0.717,99 1.126,100 15.495,101 6.308,102 78.309,103 7.527,104 38,105 43,106 0.323,107 0.629,108 0.763,109 0.879,110 0.896,111 0.896,112 3.374,113 0.805,114 -4.1,115 -4.04,116 -3.83,120 45.2,121 1,133 1,143 8,144 3,145 2,146 1,153 1,159 2,167 1,174 9,177 3,180 2,182 5,185 9,188 1,189 3,192 1,194 8,197 6,200 1,201 5,204 1,206 3,209 3,214 8,217 1,218 1,219 1,222 8,227 8,232 1,235 10,239 1,240 4,243 1,245 2,247 7,251 1,252 2,255 1,257 3,260 5,263 1,264 2,267 1,269 1,271 3,274 1268,275 18.126,276 18.126,277 18.126,278 18.126,279 18.126,280 15.86,281 20.088,282 10.505,283 18.475,284 14.791,285 14.791,286 14.791,287 14.791,288 14.791,289 11.324,290 26.665,291 4.989,292 15.4,293 3.53,294 1.763,295 0.988,296 0.322,297 0.226,298 0.226,299 4.047,305 1,306 1,307 1,308 653,309 4.123,312 85.912,313 204.652,320 1.829,321 53.415,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 65,333 311,334 4.455,335 4.46,336 7.116,337 4.181,338 3.32,339 3.979,340 3.825,341 11.69,342 2.967,343 4.339,344 3.595,345 6.237,346 3.977,347 2.986,348 3.863,349 1.058,350 9.337,351 2.891,352 4.14,353 3.558,354 6.03,355 3.786,356 2.783,357 3.685,358 1.058,359 8.608,360 2.782,361 3.913,362 2.9,363 5.823,364 3.562,365 2.583,366 3.258,368 7.924,369 2.521,370 3.681,371 2.586,372 5.352,373 3.291,374 2.319,375 3.009,377 6.927,378 2.213,379 3.226,380 2.2,381 4.531,382 2.764,383 1.776,384 2.446,386 4.543,387 1.745,388 2.961,389 1.899,390 4.422,391 2.542,392 1.598,393 2.101,395 4.427,396 1.485,397 2.817,398 1.83,399 4.079,400 2.374,401 1.384,402 1.936,404 3.47,405 1.366,406 2.717,407 1.659,408 3.985,409 2.224,410 1.215,411 1.72,413 3.226,414 1.209,415 2.569,416 1.189,417 3.484,418 2.088,419 1.1,420 1.596,422 2.517,423 1.075,424 2.277,425 1.038,426 3.234,427 1.749,428 0.771,429 1.115,431 1.84,432 0.748,433 2.118,434 0.618,435 3,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.458,443 0.606,444 2.828,445 1.129,446 0.132,447 0.164,449 0.309,450 0.131,451 1.18,452 0.51,453 2.71,454 0.791,455 -0.207,456 -0.268,458 -0.533,459 -0.205,460 0.915,461 0.51,462 2.651,463 0.511,464 -0.511,465 -0.68,467 -1.298,468 -0.516,469 12.557,470 0.448,471 0.936,472 0.033,473 38,474 1.357,475 20,476 0.714,477 18,478 0.643,479 19.671,480 0.703,481 30.643,482 0.73,483 32.596,484 1.164,485 8.041,486 0.287,487 5.195,488 0.186,489 0.161,490 0.04,491 0.319,493 3,496 0.593,497 0.913,498 0.59,499 0.961,500 0.591,501 0.839,502 0.46,503 0.809,504 0.608,505 1.025,506 0.423,507 0.954,508 0.721,509 0.993,510 0.899,511 1.174,512 0.67,513 1.16,514 1.103,515 1.008,516 1.11,517 1.025,518 1.106,519 1.041,520 0.88,521 0.677,522 0.876,523 0.816,524 0.999,525 0.838,526 1.222,527 0.894,528 1.172,529 0.991,530 1.273,531 1.03,532 0.738,533 0.776,534 1.005,535 0.946,536 0.627,537 1.076,538 0.637,539 0.946,540 0.885,541 1.094,542 0.581,543 1.122,544 7.5,545 0.182,546 3.778,547 1.84,548 1.823,549 0.941,550 0.652,551 0.489,552 0.291,553 0.259,554 9687,555 40210,556 1.984,557 33.3,558 3,559 8,561 1,562 2,567 1.71,568 1.816,569 3.475,570 0.318,572 1,575 78.199,576 1.862,577 3.629,578 4.404,579 5.071,580 5.166,581 5.166,582 2.91,583 4.209,584 4.781,585 3.66,586 1383.49,587 8.309,588 18645.2,589 1,590 1,592 1,593 226.477,594 1.678,595 4.706,596 0.25,597 0.009,598 0.088,599 0.045,600 0.048,601 0.025,602 0.019,603 0.014,604 0.01,605 0.011,606 0.519,607 0.33,608 1,609 0.82,610 141.639,611 -0.015,612 -0.015,613 0.01,614 0.025,615 -0.087,616 0.034,617 0.357,618 0.218,619 0.154,620 -0.029,621 0.361,622 -0.052,623 -0.016,624 -0.197,625 -0.081,626 -0.216,627 0.005,628 -0.204,629 -0.181,630 -0.091,631 -0.119,632 -0.08,633 -0.144,634 -0.06,635 0.001,636 0.15,637 0.141,638 0.143,639 -0.058,640 0.191,641 -0.271,642 0.004,643 -0.263,644 -0.003,645 -0.269,646 -0.075,647 0.135,648 -0.017,649 -0.081,650 0.001,651 0.235,652 -0.113,653 0.066,654 -0.181,655 0.096,656 -0.133,657 0.067,658 -0.052,659 5.761,660 5.419,661 0.607,662 26.806,663 1.048,664 1.144,665 2.866,666 8.212,667 0.679,668 3.434,669 3.784,670 3.97,671 4.143,672 4.304,673 4.317,674 4.382,675 4.382,676 4.466,677 4.489,678 6.867,679 0.692,680 389.36,681 3.434,682 4.99,683 5.82,684 6.696,685 7.544,686 8.416,687 9.271,688 10.141,689 10.999,690 11.867,691 7.1,698 2,701 1,709 9,710 1,712 1,714 6,716 17,723 2,738 42,739 19,740 2,741 30,743 44,744 19,745 15,746 5,747 7,748 2,752 3,753 3,759 2,765 1,768 17,769 2,772 2,778 2,782 2,786 1,787 3,789 14,790 9,791 2,792 9,796 1,797 3,803 1,804 3,822 1,823 2,855 3,859 1,861 3,862 28,871 2,876 1,885 3,886 7.1,889 2,891 1,893 15.417,894 7.879,895 6,896 2.277,898 2.872,899 1.404,900 0.981,901 5.524,902 9.987,903 3.726,904 4.321,905 4.835,906 5.333,907 5.738,908 5.887,909 6.108,910 6.289,911 6.646,912 6.916,913 1,914 41,915 10.818,917 5.141,918 8.503,919 18.356,921 14.595,924 3.003,925 84.083,928 1,929 141.253,930 131.37,931 55.618,933 60.024,934 44.88,936 131.37,937 201.277,938 100.498,939 8.825,940 36.022,941 75.81,942 91.067,943 78.732,944 5.449,945 129.482,946 7.76,947 141.253,948 186.989,949 104.904,952 141.253,953 104.904,956 61.654,957 105.738,958 19.597,960 186.134,961 115.642,962 131.37,965 149.013,966 29.928,967 93.683,968 36.022,969 124.501,970 141.253,971 160.522,972 131.37,973 0.596,974 0.333,975 0.162,976 0.085,977 20,978 10,979 0.091,980 4,982 1,983 3.897,984 233.623,986 17,987 129.851,993 19.652,994 7.87,995 4.801,997 160.522,998 11.559,999 3.444,1001 4.769,1003 0.345,1005 36.022,1006 433.146,1007 40.5,1013 24.499,1017 -1.162,1020 44.011,1021 48.049,1022 0.345,1023 0.673,1024 0.817,1025 0.94,1026 0.958,1027 0.958,1028 4.972,1029 1.384,1030 5.855,1031 4.427,1032 4.466,1033 5.007,1034 3.232,1035 6.683,1036 4.393,1037 6.207,1038 1.215,1039 7.442,1040 3.47,1041 4.29,1042 4.868,1043 3.903,1044 7.818,1045 4.088,1046 7.53,1047 1.1,1048 9.14,1049 3.226,1050 6.138,1051 7.172,1052 5.442,1053 10.793,1054 5.965,1055 8.886,1056 0.771,1057 10.901,1058 2.517,1059 6.735,1060 7.782,1061 6.69,1062 12.711,1063 6.422,1064 10.269,1065 0.618,1066 12.705,1067 1.84,1068 8.124,1069 9.591,1070 8.06,1071 15.285,1072 7.811,1073 11.672,1074 0.132,1075 14.537,1076 1.372,1077 9.039,1078 10.546,1079 9.388,1080 17.508,1081 8.595,1082 13.089,1083 -0.207,1084 16.39,1085 0.309,1086 10.272,1087 12.138,1088 10.734,1089 19.972,1090 9.792,1091 3.32,1092 -0.511,1093 18.259,1094 -0.533,1095 11.325,1096 13.27,1097 12.074,1098 22.322,1099 10.724,1100 2.986,1101 11.69,1102 20.142,1103 -1.298,1104 12.505,1105 14.753,1106 13.417,1107 24.762,1108 11.841,1109 2.783,1110 9.337,1111 22.035,1112 3.979,1113 13.62,1114 15.982,1115 14.758,1116 27.168,1117 12.841,1118 2.583,1119 8.608,1120 23.937,1121 3.863,1122 14.788,1123 17.409,1124 16.1,1125 29.607,1126 13.925,1127 2.319,1128 7.924,1129 25.848,1130 3.685,1131 15.933,1132 18.692,1133 17.441,1134 32.039,1135 14.958,1136 1.776,1137 6.927,1138 27.765,1139 3.258,1140 17.101,1141 20.09,1142 18.783,1143 34.483,1144 16.029,1145 1.598,1146 4.543,1147 29.688,1148 3.009,1149 18.263,1150 21.404,1151 20.124,1152 36.927,1153 17.078,1154 9504,1155 19554,1156 19.186,1157 28.523,1158 46.241,1159 46.126,1160 45.785,1161 45.437,1162 45.17,1163 59.598,1164 11.884,1165 132.377,1166 43.501,1167 5.313,1168 6.46,1169 6.713,1170 5.22,1171 5.32,1172 6.979,1173 5.335,1174 18.673,1175 4.967,1176 16.777,1177 1.541,1178 1.538,1179 1.526,1180 1.515,1181 1.506,1182 1.987,1183 0.396,1184 4.413,1185 1.45,1186 4.008,1187 4.034,1188 3.966,1189 3.917,1190 8.513,1191 3.923,1192 3.912,1193 3.939,1194 3.873,1195 3.83,1196 7.999,1197 3.832,1198 3.837,1199 3.854,1200 3.8,1201 3.64,1202 7.999,1203 3.678,1204 3.436,1205 3.476,1206 3.417,1207 3.213,1208 7.432,1209 3.242,1210 3.283,1211 3.326,1212 3.26,1213 3.01,1214 7.427,1215 3.056,1216 3.217,1217 3.272,1218 3.139,1219 2.953,1220 5.214,1221 2.989,1222 3.014,1223 3.097,1224 2.834,1225 2.816,1226 4.74,1227 2.813,1228 2.79,1229 2.845,1230 2.665,1231 2.634,1232 4.681,1233 2.635,1234 0.149,1235 0.149,1236 0.237,1237 0.139,1238 0.111,1239 4.455,1240 0.133,1241 4.46,1242 0.128,1243 7.116,1244 0.39,1245 4.181,1246 0.099,1247 3.32,1248 3.979,1249 3.825,1250 11.69,1251 2.967,1252 1.948,1253 1.924,1254 2.042,1255 2.052,1256 1.164,1257 2.048,1258 1.887,1259 1.862,1260 1.988,1261 1.984,1262 1.093,1263 1.984,1264 1.527,1265 1.512,1266 1.64,1267 1.716,1268 0.677,1269 1.677,1270 1.326,1271 1.283,1272 1.563,1273 1.566,1274 0.632,1275 1.546,1276 1.186,1277 1.14,1278 1.337,1279 1.514,1280 0.305,1281 1.463,1282 1.109,1283 1.065,1284 1.263,1285 1.419,1286 0.269,1287 1.361,1288 0.986,1289 0.915,1290 1.203,1291 1.27,1292 0.246,1293 1.257,1294 0.894,1295 0.844,1296 1.101,1297 1.192,1298 0.086,1299 1.16,1300 4.111,1302 5.451,1303 2.398,1304 6.963,1305 4.443,1306 8.55,1307 6.293,1308 10.177,1310 1.727,1312 38.396,1317 5.017,1322 -4.511,1326 29.046,1327 78.199,1328 152.438,1329 184.968,1330 212.968,1331 216.968,1332 216.968,1333 76.864,1334 7.115,1335 84.23,1336 84.23,1337 17,1338 12.413,1339 4.322,1340 3.524,1341 49.743,1342 115,1343 98,1344 0.209,1345 177.537,1346 318.66,1347 424.95,1348 11615,1349 7.1,1350 20.311,1351 0.725,1352 0.518,1353 17.811,1354 14.502,1355 13.236,1356 0.441,1357 0.268,1358 7.874,1359 12.479,1360 7.746,1361 6.409,1362 12.025,1363 8.052,1364 12.877,1365 0.299,1366 0.137,1367 10.919,1368 5.893,1369 9.8,1370 0.188,1371 0.074,1372 8.837,1373 3.857,1374 7.503,1375 0.121,1376 0.039,1377 6.986,1378 2.391,1379 5.708,1380 0.078,1381 0.021,1382 5.068,1383 1.532,1384 0.33,1385 85.047,1386 0.228,1387 26.895,1388 0.564,1389 146,1390 695.851,1391 176.484,1392 584.76,1393 754.1,1394 538,1395 168,1396 528.451,1397 192.111,1398 510.324,1399 756.4,1400 477,1401 6.478}
{0 CHEMBL1463077,1 1.983,2 8.739,3 2.308,4 5.328,5 85.322,6 9.617,7 0.5,8 3.727,9 3.803,10 3.653,11 3.308,12 4.929,13 3.276,14 4.236,15 4.359,16 3.953,17 3.614,18 5.668,19 3.596,20 4.428,21 4.566,22 4.065,23 3.691,24 5.951,25 3.675,26 4.39,27 4.525,28 3.95,29 3.616,30 5.856,31 3.614,32 4.372,33 4.532,34 3.941,35 3.606,36 5.757,37 3.566,38 4.334,39 4.496,40 3.937,41 3.56,42 5.987,43 3.515,44 4.21,45 4.364,46 3.741,47 3.468,48 5.559,49 3.396,50 4.076,51 4.23,52 3.579,53 3.362,54 5.377,55 3.26,56 0.16,57 0.553,58 6.431,59 3.719,60 21.722,61 3.489,62 0.497,63 0.831,64 14.867,65 5.765,66 67.429,67 5.943,68 0.758,69 0.922,70 20.97,71 6.824,72 88.805,73 6.921,74 0.691,75 0.875,76 16.221,77 5.956,78 80.223,79 5.425,80 0.676,81 0.856,82 20.407,83 6.146,84 78.216,85 6.203,86 0.784,87 0.757,88 18.791,89 6.531,90 119.157,91 7.403,92 0.617,93 0.659,94 18.574,95 5.776,96 77.66,97 5.72,98 0.511,99 0.598,100 19.702,101 5.332,102 53.449,103 5.08,104 42,105 34,106 0.357,107 0.706,108 0.823,109 0.862,110 0.872,111 0.872,112 3.188,113 1.077,114 -2.51,115 -2.54,116 -2.48,120 37.8,121 1,125 1,126 1,143 4,145 3,146 1,147 1,151 1,159 1,174 3,176 2,177 1,180 1,182 1,185 2,188 5,189 6,192 2,194 2,197 1,201 5,206 2,213 2,214 3,217 1,226 3,227 5,230 2,235 1,240 4,245 1,247 3,251 1,252 4,260 1,263 2,264 5,271 1,274 718,275 15.041,276 15.041,277 15.041,278 15.041,279 15.041,280 13.158,281 15.4,282 8.561,283 15.894,284 11.627,285 11.627,286 11.627,287 11.627,288 11.627,289 8.611,290 16.699,291 3.822,292 12.81,293 3.226,294 1.287,295 0.635,296 0.419,297 0.365,298 0.365,299 3.842,303 1,305 1,306 1,307 1,308 407,309 3.808,313 162.047,320 1.338,321 39.904,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 51.833,333 201,334 4.851,335 5.244,336 7.292,337 4.235,338 3.384,339 4.707,340 2.95,341 12.375,342 2.906,343 4.324,344 3.629,345 6.411,346 3.922,347 2.972,348 3.914,349 1.058,350 9.763,351 2.763,352 4.154,353 3.068,354 6.118,355 3.717,356 2.772,357 3.771,358 0.86,359 8.921,360 2.601,361 3.415,362 2.915,363 4.959,364 2.943,365 2.005,366 2.677,368 5.506,369 1.828,370 3.073,371 2.703,372 4.784,373 2.502,374 1.621,375 2.272,377 4.777,378 1.446,379 2.917,380 1.949,381 4.342,382 2.469,383 1.536,384 2.089,386 4.03,387 1.421,388 2.863,389 1.506,390 3.784,391 2.407,392 1.433,393 1.999,395 3.068,396 1.323,397 2.529,398 1.444,399 3.6,400 1.961,401 1,402 1.478,404 2.561,405 0.952,406 1.727,407 1.117,408 3.191,409 1.411,410 0.52,411 0.605,413 0.855,414 0.457,415 1.541,416 0.94,417 2.849,418 1.352,419 0.397,420 0.432,422 0.535,423 0.37,424 1.248,425 0.529,426 2.654,427 0.825,428 -0.037,429 -0.044,431 -0.079,432 -0.026,433 1.14,434 0.42,435 2.589,436 0.644,437 -0.235,438 -0.304,440 -0.486,441 -0.201,442 1,443 -0.118,444 2.227,445 0.161,446 -0.793,447 -1.017,449 -1.734,450 -0.735,451 0.668,452 -0.266,453 2,454 0.132,455 -0.831,456 -1.202,458 -2.388,459 -0.802,460 0.591,461 -0.495,462 2,463 0.01,464 -1,465 -1.466,467 -2.559,468 -0.866,469 11.081,470 0.482,471 0.701,472 0.03,473 32.5,474 1.413,475 17.5,476 0.761,477 15,478 0.652,479 16.213,480 0.705,481 25.519,482 0.69,483 24.968,484 1.086,485 6.308,486 0.274,487 4.577,488 0.199,489 0.245,490 0.075,491 0.271,496 0.63,497 1.427,498 0.695,499 1.206,500 0.651,501 0.925,502 0.823,503 1.228,504 0.797,505 1.037,506 0.669,507 0.834,508 0.929,509 1.028,510 0.975,511 0.995,512 1.013,513 0.873,514 1.363,515 1.138,516 0.899,517 0.932,518 1.307,519 0.96,520 1.05,521 0.92,522 0.783,523 0.857,524 1.168,525 0.948,526 0.587,527 0.936,528 0.762,529 0.884,530 0.668,531 0.903,532 1.339,533 0.944,534 1.296,535 0.916,536 1.321,537 1.014,538 1.333,539 0.877,540 1.753,541 1.203,542 1.109,543 1.17,544 6,545 0.062,546 3.778,547 1.688,548 1.396,549 1.215,550 0.449,551 0.313,552 0.279,553 0.15,554 4784,555 19071,556 1.912,557 37.8,559 9,561 1,562 1,564 3,567 1.661,568 1.736,569 3.128,570 -0.155,571 1,572 1,574 1,575 73.389,576 1.983,577 3.923,578 4.574,579 4.79,580 4.844,581 4.844,582 2.512,583 4.35,584 4.498,585 3.274,586 828.287,587 7.764,588 9393.96,589 1,590 1,592 1,593 192.75,594 1.731,595 4.407,596 0.25,597 0.007,598 0.111,599 0.046,600 0.044,601 0.042,602 0.015,603 0.014,604 0.015,605 0.01,606 0.553,607 0.33,608 1,609 1.205,610 106.679,611 -0.001,612 -0.209,613 0.123,614 -0.098,615 -0.126,616 -0.011,617 0.061,618 -0.136,619 0.072,620 -0.014,621 0.124,622 0.091,623 0.112,624 0.031,625 -0.011,626 -0.018,627 0.052,628 0.03,629 -0.262,630 -0.106,631 -0.087,632 -0.058,633 -0.172,634 -0.104,635 -0.068,636 0.107,637 0.06,638 0.03,639 -0.146,640 -0.042,641 0.408,642 -0.019,643 0.212,644 0.028,645 0.417,646 0.079,647 -0.257,648 -0.028,649 -0.13,650 0.038,651 -0.247,652 -0.049,653 -0.308,654 0.125,655 -0.375,656 -0.106,657 -0.219,658 -0.19,659 4.559,660 5.334,661 0.522,662 16.854,663 1.036,664 1.127,665 1.284,666 1.65,667 0.7,668 3.219,669 3.555,670 3.784,671 3.912,672 4.094,673 4.127,674 4.06,675 3.989,676 3.951,677 3.97,678 5.435,679 0.678,680 355.83,681 3.219,682 4.762,683 5.602,684 6.479,685 7.339,686 8.218,687 9.083,688 9.964,689 10.831,690 11.713,691 8.1,698 1,701 2,709 5,710 2,714 5,716 12,723 1,735 1,737 1,738 37,739 15,740 1,741 24,743 38,744 14,745 10,746 2,747 4,748 1,752 2,753 2,754 1,759 1,768 11,769 3,772 3,776 1,778 3,782 1,785 1,786 1,789 14,790 7,791 1,792 9,793 2,797 3,803 1,804 4,817 1,823 2,855 2,857 1,859 2,860 1,862 23,865 1,869 1,871 1,872 1,885 1,886 10.8,889 3,891 1,893 13.25,894 7.293,895 5.208,896 2.079,898 2.411,899 1.372,900 0.948,901 5.445,902 8.896,903 3.526,904 4.159,905 4.654,906 5.107,907 5.613,908 5.798,909 5.918,910 5.995,911 6.122,912 6.468,913 0.833,914 37,915 8.72,917 3.949,918 8.262,919 15.407,921 12.168,924 2.762,925 63.528,929 153.024,930 93.262,931 51.582,932 39.149,933 80.458,935 6.046,936 87.216,937 272.631,938 51.582,939 19.708,940 18.91,941 43.951,942 119.505,943 34.305,944 0.693,945 141.253,946 39.149,947 153.024,948 138.797,949 80.458,950 45.195,952 117.711,953 115.771,956 40.233,957 64.993,958 78.766,960 153.024,961 132.04,962 132.41,964 6.046,965 153.024,966 20.555,967 66.661,968 18.011,969 153.177,970 153.024,971 132.04,972 132.41,973 0.586,974 0.355,975 0.168,976 0.086,977 15,978 8,979 0.132,980 5,982 1,983 3.312,984 176.542,986 12,987 102.042,992 1,993 17.509,994 7.153,995 3.923,997 132.04,998 7.86,999 7.451,1003 0.156,1005 18.011,1006 417.474,1007 33,1011 -3.642,1013 35.986,1017 -0.658,1020 38.316,1021 41.688,1022 0.381,1023 0.753,1024 0.878,1025 0.92,1026 0.93,1027 0.93,1028 4.762,1029 1,1030 5.645,1031 3.068,1032 4.234,1033 4.844,1034 3.097,1035 6.515,1036 4.05,1037 6.025,1038 0.52,1039 7.266,1040 2.561,1041 4.111,1042 5.027,1044 7.818,1045 3.765,1046 7.396,1047 0.397,1048 9.002,1049 0.855,1050 5.953,1051 7.199,1052 5.05,1053 10.805,1054 5.563,1055 8.811,1056 -0.037,1057 10.807,1058 0.535,1059 6.621,1060 8.166,1062 12.877,1063 6.041,1064 10.262,1065 -0.235,1066 12.655,1067 -0.079,1068 8.015,1069 9.905,1070 7.187,1071 15.492,1072 7.381,1073 11.736,1074 -0.793,1075 14.533,1076 -0.486,1077 8.995,1078 11.187,1080 17.83,1081 8.174,1082 13.228,1083 -0.831,1084 16.431,1085 -1.734,1086 10.244,1087 12.785,1088 9.348,1089 20.35,1090 9.339,1091 3.384,1092 -1,1093 18.344,1094 -2.388,1095 11.347,1096 14.201,1098 22.787,1099 10.266,1100 2.972,1101 12.375,1102 20.269,1103 -2.559,1104 12.551,1105 15.75,1106 11.511,1107 25.287,1108 11.359,1109 2.772,1110 9.763,1111 22.203,1112 4.707,1113 13.706,1114 17.228,1116 27.765,1117 12.346,1118 2.005,1119 8.921,1120 24.145,1121 3.914,1122 14.899,1123 18.763,1124 13.675,1125 30.265,1126 13.409,1127 1.621,1128 5.506,1129 26.092,1130 3.771,1131 16.077,1132 20.271,1134 32.76,1135 14.424,1136 1.536,1137 4.777,1138 28.045,1139 2.677,1140 17.271,1141 21.805,1142 15.838,1143 35.265,1144 15.475,1145 1.433,1146 4.03,1147 30.003,1148 2.272,1149 18.462,1150 23.329,1152 37.77,1153 16.504,1154 4959,1155 10069,1156 14.909,1157 25.909,1158 35.288,1159 38.741,1160 37.993,1161 35.505,1162 35.282,1163 47.887,1164 9.737,1165 104.782,1166 32.131,1167 5.695,1168 7.244,1169 6.987,1170 5.318,1171 5.384,1172 7.707,1173 5.9,1174 19.573,1175 4.906,1176 14.383,1177 1.47,1178 1.614,1179 1.583,1180 1.479,1181 1.47,1182 1.995,1183 0.406,1184 4.366,1185 1.339,1186 4.066,1187 4.05,1188 4.739,1189 4.041,1190 7.714,1191 3.936,1192 3.912,1193 3.928,1194 3.969,1195 3.828,1196 7.429,1197 3.822,1198 3.692,1199 3.697,1200 3.837,1201 3.593,1202 6.999,1203 3.57,1204 3.267,1205 3.321,1206 3.303,1207 3.024,1208 5.023,1209 3.052,1210 3.249,1211 3.315,1212 3.082,1213 2.967,1214 4.867,1215 2.975,1216 3.13,1217 3.173,1218 3.062,1219 2.937,1220 4.439,1221 2.904,1222 2.813,1223 2.876,1224 2.919,1225 2.672,1226 4.392,1227 2.664,1228 2.729,1229 2.79,1230 2.692,1231 2.57,1232 3.978,1233 2.562,1234 0.202,1235 0.218,1236 0.304,1237 0.176,1238 0.141,1239 4.851,1240 0.196,1241 5.244,1242 0.123,1243 7.292,1244 0.516,1245 4.235,1246 0.121,1247 3.384,1248 4.707,1249 2.95,1250 12.375,1251 2.906,1252 1.905,1253 1.913,1254 1.991,1255 2.032,1256 1.202,1257 2.045,1258 1.862,1259 1.852,1260 1.83,1261 1.967,1262 1.064,1263 1.985,1264 1.599,1265 1.588,1266 1.723,1267 1.749,1268 0.782,1269 1.768,1270 1.198,1271 1.128,1272 1.573,1273 1.514,1274 0.574,1275 1.533,1276 1.162,1277 1.109,1278 1.287,1279 1.443,1280 0.419,1281 1.426,1282 1.043,1283 1.007,1284 1.105,1285 1.267,1286 0.259,1287 1.302,1288 0.821,1289 0.759,1290 1.062,1291 1.01,1292 0.15,1293 1.046,1294 0.701,1295 0.653,1296 0.892,1297 0.912,1299 0.909,1300 3.892,1302 5.22,1304 6.756,1306 8.375,1308 10.034,1310 2.927,1311 5.912,1315 -0.178,1317 2.582,1318 5.131,1326 25.099,1327 73.389,1328 145.14,1329 169.24,1330 177.24,1331 179.24,1332 179.24,1333 61.591,1334 6.485,1335 98.25,1336 106.63,1337 12,1338 12.25,1339 4,1340 3.322,1341 45.099,1342 74,1343 67,1344 0.302,1345 165.616,1346 287.64,1347 395.864,1348 4729,1349 2.7,1350 17.035,1351 0.741,1352 0.608,1353 17.785,1354 13.98,1355 10.885,1356 0.454,1357 0.359,1358 6.629,1359 9.258,1360 6.264,1361 5.222,1362 11.995,1363 8.614,1364 9.919,1365 0.292,1366 0.205,1367 11.665,1368 6.986,1369 8.271,1370 0.192,1371 0.11,1372 9.768,1373 4.74,1374 5.933,1375 0.121,1376 0.053,1377 6.858,1378 2.597,1379 4.502,1380 0.076,1381 0.029,1382 5.333,1383 1.706,1384 0.462,1385 80.662,1386 0.259,1387 22.27,1388 0.858,1389 116,1390 459.629,1391 183.909,1392 483.155,1393 626.77,1394 442,1395 135,1396 396.647,1397 203.864,1398 441.254,1399 641.49,1400 410,1401 5.095}
{0 CHEMBL1464490,1 1.696,2 11.294,3 4.6,4 21.158,5 128.32,6 8.647,7 0.486,8 4.119,9 4.206,10 3.835,11 3.715,12 5.352,13 3.698,14 4.598,15 4.717,16 4.21,17 4.066,18 5.899,19 4.035,20 4.836,21 4.991,22 4.362,23 4.187,24 6.071,25 4.16,26 4.852,27 4.994,28 4.418,29 4.202,30 6.207,31 4.175,32 4.919,33 5.057,34 4.435,35 4.264,36 6.287,37 4.211,38 4.948,39 5.105,40 4.34,41 4.284,42 6.285,43 4.192,44 4.941,45 5.115,46 4.235,47 4.204,48 6.217,49 4.116,50 4.857,51 5.051,52 4.026,53 4.083,54 6.054,55 4.011,56 0.119,57 0.758,58 8.779,59 5.001,60 14.808,61 5.329,62 0.42,63 1.234,64 19.219,65 8.318,66 45.158,67 9.274,68 0.549,69 1.516,70 26.26,71 10.245,72 59.057,73 11.096,74 0.607,75 1.562,76 26.585,77 10.361,78 57.004,79 10.5,80 0.841,81 1.629,82 30.494,83 11.864,84 90.896,85 11.605,86 0.747,87 1.667,88 34.522,89 13.352,90 127.294,91 13.73,92 0.761,93 1.626,94 37.298,95 13.378,96 108.801,97 14.138,98 0.667,99 1.51,100 31.538,101 11.291,102 76.801,103 12.949,104 31,105 51,106 0.276,107 0.602,108 0.729,109 0.845,110 0.902,111 0.914,112 3.561,113 0.93,114 -4.54,115 -4.47,116 -4.21,120 45.5,121 1,126 2,143 12,144 2,145 4,159 3,160 1,168 1,172 1,174 11,175 1,176 2,177 10,180 2,182 3,185 10,186 1,188 1,189 10,194 4,195 1,197 5,198 2,200 1,201 14,204 1,205 1,206 3,209 5,210 1,213 4,214 12,215 1,217 2,219 1,222 11,226 1,227 4,230 1,235 10,236 1,239 1,240 12,243 1,245 4,247 9,251 1,252 9,253 2,255 1,257 4,260 5,263 2,264 6,267 2,269 2,271 9,274 2236,275 23.112,276 23.112,277 23.112,278 23.112,279 23.112,280 20.333,281 25.784,282 13.876,283 23.663,284 18.237,285 18.237,286 18.237,287 18.237,288 18.237,289 13.965,290 33.673,291 6.463,292 19.062,293 4.085,294 2.081,295 1.296,296 0.587,297 0.232,298 0.159,299 4.256,306 1,307 1,308 819,309 3.937,313 391.186,317 157.764,320 1.529,321 47.681,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 74.5,333 384,334 4.577,335 4.584,336 6.989,337 4.244,338 3.297,339 4.127,340 3.87,341 11.868,342 3.138,343 4.329,344 3.794,345 6.414,346 3.964,347 2.975,348 3.936,349 1.982,350 9.796,351 2.934,352 4.191,353 3.616,354 6.321,355 3.79,356 2.82,357 3.807,358 1.437,359 9.518,360 2.726,361 3.745,362 3.515,363 5.733,364 3.369,365 2.427,366 3.035,367 1.182,368 7.602,369 2.309,370 3.608,371 3.094,372 5.293,373 3.233,374 2.274,375 2.823,376 0.86,377 6.439,378 2.147,379 3.475,380 2.79,381 5.163,382 3.016,383 2.062,384 2.703,385 0.716,386 6.18,387 1.93,388 3.305,389 2.638,390 4.681,391 2.858,392 1.856,393 2.53,394 0.223,395 4.808,396 1.839,397 2.942,398 2.568,399 4.469,400 2.534,401 1.595,402 2.108,403 0.122,404 4.134,405 1.488,406 2.918,407 2.105,408 3.943,409 2.448,410 1.456,411 2.09,413 3.182,414 1.443,415 2.862,416 1.617,417 3.716,418 2.412,419 1.433,420 2.002,422 3.09,423 1.401,424 2.78,425 1.559,426 3.675,427 2.318,428 1.348,429 1.878,431 3.074,432 1.292,433 2.532,434 1.538,435 3.599,436 2.02,437 1.023,438 1.492,440 2.579,441 1.011,442 2.532,443 1.313,444 3.466,445 2.005,446 1,447 1.475,449 2.304,450 0.994,451 2.161,452 1.312,453 3.26,454 1.938,455 1,456 1.125,458 1.75,459 0.928,460 1.834,461 1.259,462 3.107,463 1.473,464 0.605,465 0.701,467 1.426,468 0.507,469 16.2,470 0.476,471 0.768,472 0.023,473 47.75,474 1.404,475 26,476 0.765,477 21.75,478 0.64,479 28.051,480 0.825,481 35.4,482 0.644,483 40.406,484 1.188,485 9.393,486 0.276,487 7.097,488 0.209,489 0.113,491 0.333,496 0.758,497 1.15,498 0.699,499 0.91,500 0.641,501 0.842,502 0.632,503 1.218,504 0.917,505 1.129,506 0.512,507 0.975,508 1.069,509 1.101,510 0.826,511 0.9,512 0.922,513 0.821,514 1.134,515 1.107,516 1.009,517 1.013,518 1.005,519 0.9,520 1.203,521 0.917,522 1.203,523 1.036,524 1.297,525 0.967,526 1.039,527 1.073,528 1.379,529 1.21,530 1.086,531 1.092,532 1.034,533 1.141,534 1.36,535 1.281,536 1.001,537 1.12,538 0.938,539 1.103,540 1.178,541 1.104,542 0.893,543 1.062,544 5.5,545 0.285,546 3.778,547 2.813,548 2.502,549 1.319,550 0.87,551 0.507,552 0.366,553 0.359,554 15495,555 49140,556 2.059,557 38.2,559 16,562 2,564 3,567 1.766,568 1.925,569 3.442,570 0.206,575 93.275,576 1.696,577 3.701,578 4.485,579 5.195,580 5.549,581 5.622,582 2.822,583 4.418,584 5.06,585 3.654,586 2050.13,587 8.907,588 31156.5,593 317.975,594 1.419,595 5.016,596 0.149,597 0.007,598 0.074,599 0.049,600 0.043,601 0.023,602 0.017,603 0.011,604 0.009,605 0.009,606 0.39,607 0.17,608 0.88,609 0.946,610 180.463,611 -0.077,612 -0.083,613 0.038,614 0.025,615 -0.084,616 0.027,617 0.165,618 -0.151,619 0.021,620 -0.118,621 0.109,622 -0.06,623 -0.087,624 -0.053,625 0.14,626 0.072,627 -0.069,628 0.109,629 -0.064,630 -0.005,631 0.041,632 -0.001,633 -0.002,634 -0.004,635 -0.033,636 0.152,637 -0.062,638 0.043,639 -0.087,640 -0.05,641 -0.044,642 -0.038,643 -0.151,644 -0.059,645 0.021,646 -0.103,647 -0.035,648 -0.138,649 -0.14,650 -0.149,652 -0.106,653 -0.028,654 -0.095,655 -0.16,656 -0.115,657 -0.028,658 -0.068,659 2.805,660 6.45,661 0.647,662 33.543,663 1.018,664 1.113,665 3.312,666 10.969,667 0.705,668 3.638,669 3.951,670 4.248,671 4.543,672 4.787,673 4.844,674 4.963,675 5.063,676 5.165,677 5.193,678 7.089,679 0.683,680 475.56,681 3.638,682 5.176,683 6.033,684 6.919,685 7.799,686 8.693,687 9.582,688 10.481,689 11.374,690 12.276,691 5.5,698 2,700 1,709 12,714 6,716 18,724 1,725 1,735 1,738 55,739 22,740 3,741 37,743 58,744 25,745 18,746 6,747 12,748 3,752 4,753 5,759 1,768 22,769 3,772 4,778 3,781 1,782 4,789 21,790 8,791 2,792 9,793 1,797 3,803 0.75,804 5,823 4,827 1,838 1,853 1,855 3,856 1,857 1,859 1,862 34,868 1,869 2,871 1,872 1,873 1,875 1,886 9.1,888 1,889 3,891 1,893 17.667,894 10.183,895 7.639,896 3.238,898 3.879,899 1.486,900 0.969,901 7.432,902 11.863,903 3.932,904 4.494,905 5.051,906 5.623,907 6.138,908 6.295,909 6.643,910 6.957,911 7.284,912 7.544,913 1,914 57,915 12.639,917 5.473,918 8.015,919 23.303,921 18.734,924 2.515,925 85.5,929 223.651,930 191.149,931 37.921,933 129.118,935 32.22,936 158.929,937 352.769,938 37.921,939 8.825,940 26.627,941 113.715,942 128.437,943 47.67,944 0.693,945 255.87,947 223.651,948 196.85,949 129.118,950 32.22,952 188.338,953 164.431,956 52.238,957 144.612,959 32.22,960 223.651,961 167.039,962 191.149,965 223.651,966 68.609,967 125.664,968 18.011,969 145.904,970 223.651,971 167.039,972 191.149,973 0.572,974 0.342,975 0.2,976 0.113,977 23,978 11,979 0.138,980 8,981 1,982 1.091,983 4.31,984 323.842,985 0.091,986 22,987 170.974,989 1,993 23.708,994 10.658,995 5.23,997 167.039,998 20.299,1003 2.186,1005 60.694,1006 581.838,1007 50,1013 37.526,1016 4.635,1017 -1.527,1020 55.971,1021 61.199,1022 0.293,1023 0.64,1024 0.776,1025 0.899,1026 0.96,1027 0.972,1028 5.162,1029 1.595,1030 6.014,1031 4.808,1032 4.635,1033 5.182,1034 3.83,1035 6.849,1036 4.555,1037 6.363,1038 1.456,1039 7.585,1040 4.134,1041 4.205,1042 4.913,1043 2.457,1044 7.828,1045 4.103,1046 7.666,1047 1.433,1048 9.265,1049 3.182,1050 6.236,1051 7.32,1052 6.112,1053 10.976,1054 6.081,1055 9.006,1056 1.348,1057 11.01,1058 3.09,1059 6.661,1060 7.867,1061 5.193,1062 12.816,1063 6.475,1064 10.379,1065 1.023,1066 12.798,1067 3.074,1068 8.152,1069 9.748,1070 8.718,1071 15.488,1072 7.924,1073 11.777,1074 1,1075 14.616,1076 2.579,1077 8.974,1078 10.691,1079 8.082,1080 17.675,1081 8.709,1082 13.194,1083 1,1084 16.454,1085 2.304,1086 10.252,1087 12.336,1088 11.378,1089 20.193,1090 9.95,1091 3.297,1092 0.605,1093 18.309,1094 1.75,1095 11.261,1096 13.485,1097 10.977,1098 22.528,1099 10.915,1100 2.975,1101 11.868,1102 20.175,1103 1.426,1104 12.458,1105 15.011,1106 14.05,1107 24.997,1108 12.073,1109 2.82,1110 9.796,1111 22.051,1112 4.127,1113 13.551,1114 16.271,1115 13.841,1116 27.398,1117 13.12,1118 2.427,1119 9.518,1120 23.935,1121 3.936,1122 14.722,1123 17.735,1124 16.725,1125 29.856,1126 14.249,1127 2.274,1128 7.602,1129 25.825,1130 3.807,1131 15.855,1132 19.055,1133 16.677,1134 32.289,1135 15.334,1136 2.062,1137 6.439,1138 27.721,1139 3.035,1140 17.02,1141 20.487,1142 19.401,1143 34.746,1144 16.454,1145 1.856,1146 6.18,1147 29.622,1148 2.823,1149 18.173,1150 21.84,1151 19.491,1152 37.195,1153 17.558,1154 14952,1155 26815,1156 24.561,1157 38.79,1158 55.617,1159 60.006,1160 57.523,1161 54.632,1162 54.647,1163 72.07,1164 20.784,1165 156.218,1166 52.473,1167 5.529,1168 6.584,1169 6.761,1170 5.385,1171 5.297,1172 7.127,1173 7.591,1174 19.472,1175 5.138,1176 17.436,1177 1.503,1178 1.622,1179 1.555,1180 1.477,1181 1.477,1182 1.948,1183 0.562,1184 4.222,1185 1.418,1186 4.029,1187 4.054,1188 4.074,1189 3.936,1190 7.475,1191 3.941,1192 3.934,1193 3.958,1194 3.889,1195 3.853,1196 7.43,1197 3.857,1198 3.856,1199 3.88,1200 3.803,1201 3.788,1202 7.426,1203 3.787,1204 3.552,1205 3.576,1206 3.752,1207 3.47,1208 6.351,1209 3.414,1210 3.463,1211 3.534,1212 3.326,1213 3.257,1214 4.888,1215 3.246,1216 3.365,1217 3.404,1218 3.263,1219 3.163,1220 4.778,1221 3.195,1222 3.279,1223 3.267,1224 3.225,1225 3.022,1226 4.712,1227 3.065,1228 3.054,1229 3.082,1230 3.144,1231 2.894,1232 4.385,1233 2.898,1234 0.124,1235 0.124,1236 0.189,1237 0.115,1238 0.089,1239 4.577,1240 0.112,1241 4.584,1242 0.105,1243 6.989,1244 0.321,1245 4.244,1246 0.085,1247 3.297,1248 4.127,1249 3.87,1250 11.868,1251 3.138,1252 1.956,1253 1.934,1254 2.032,1255 2.069,1256 1.136,1257 2.058,1258 1.905,1259 1.883,1260 2.003,1261 2.009,1262 1.092,1263 2.006,1264 1.849,1265 1.826,1266 1.963,1267 1.942,1268 1.049,1269 1.95,1270 1.476,1271 1.453,1272 1.786,1273 1.696,1274 0.923,1275 1.728,1276 1.456,1277 1.382,1278 1.577,1279 1.658,1280 0.837,1281 1.66,1282 1.269,1283 1.232,1284 1.369,1285 1.492,1286 0.427,1287 1.464,1288 1.12,1289 1.121,1290 1.251,1291 1.429,1292 0.238,1293 1.36,1294 0.974,1295 0.938,1296 1.169,1297 1.17,1298 0.225,1299 1.173,1300 4.317,1302 5.631,1304 7.155,1306 8.784,1308 10.469,1310 1.854,1314 9.333,1315 0.33,1317 2.624,1318 5.722,1319 1.076,1321 1.441,1326 37.566,1327 93.275,1328 203.529,1329 246.691,1330 285.71,1331 305.22,1332 309.22,1333 81.891,1334 7.983,1335 110.52,1336 135.82,1337 24,1338 12.798,1339 4.524,1340 3.807,1341 56.578,1342 140,1343 136,1344 0.189,1345 234.444,1346 420.06,1347 563.804,1348 35728,1350 24.079,1351 0.708,1352 0.56,1353 24.432,1354 19.042,1355 16.49,1356 0.446,1357 0.31,1358 10.424,1359 15.427,1360 10.119,1361 8.383,1362 16.945,1363 11.468,1364 14.508,1365 0.284,1366 0.158,1367 15.059,1368 8.083,1369 12.081,1370 0.175,1371 0.085,1372 12.816,1373 5.853,1374 10.544,1375 0.113,1376 0.046,1377 11.309,1378 4.242,1379 8.691,1380 0.073,1381 0.026,1382 9.53,1383 3.041,1384 0.294,1385 108.018,1386 0.202,1387 31.081,1388 0.528,1389 176,1390 595.575,1391 219.039,1392 588.209,1393 791.01,1394 548,1395 208,1396 557.747,1397 247.556,1398 572.173,1399 844.61,1400 539,1401 5.35}
{0 CHEMBL1464525,1 1.639,2 9.524,3 3.67,4 13.469,5 84.683,6 8.271,7 0.286,8 3.744,9 3.833,10 3.43,11 3.314,12 4.855,13 3.249,14 4.279,15 4.435,16 3.727,17 3.629,18 5.468,19 3.518,20 4.466,21 4.647,22 3.742,23 3.693,24 5.527,25 3.572,26 4.335,27 4.506,28 3.755,29 3.704,30 5.392,31 3.572,32 4.42,33 4.588,34 3.76,35 3.74,36 5.559,37 3.597,38 4.461,39 4.659,40 3.705,41 3.678,42 5.482,43 3.509,44 4.329,45 4.528,46 3.383,47 3.462,48 5.439,49 3.347,50 4.305,51 4.501,52 3.326,53 3.389,54 5.389,55 3.298,56 0.052,57 0.492,58 7.879,59 4.346,60 7.272,61 5.012,62 0.369,63 0.77,64 20.572,65 7.607,66 38.838,67 8.731,68 0.549,69 0.872,70 28.534,71 8.791,72 59.168,73 9.368,74 0.269,75 0.835,76 23.921,77 8.42,78 26.377,79 9.438,80 0.405,81 0.891,82 25.402,83 8.916,84 40.282,85 10.021,86 0.404,87 0.892,88 32.532,89 9.477,90 42.235,91 10.441,92 0.483,93 0.754,94 20.762,95 7.169,96 50.878,97 8.628,98 0.438,99 0.682,100 18.398,101 6.265,102 48.795,103 7.481,104 48,105 26,106 0.298,107 0.567,108 0.742,109 0.817,110 0.835,111 0.853,112 3.102,113 1.178,114 -5.12,115 -5.01,116 -4.69,120 37.5,121 2,122 3,126 2,143 3,145 3,159 2,174 3,176 2,177 7,185 5,189 4,197 4,201 4,209 7,213 1,214 5,222 6,227 3,235 5,239 2,240 5,247 3,252 3,260 4,263 1,264 5,271 4,274 725,275 13.767,276 13.767,277 13.767,278 13.767,279 13.767,280 12.629,281 12.76,282 8.793,283 14.3,284 10.386,285 10.386,286 10.386,287 10.386,288 10.386,289 8.633,290 11.346,291 4.21,292 11.259,293 3.683,294 2.207,295 1.244,296 0.838,297 0.738,298 0.638,299 3.741,300 1,305 1,306 1,307 1,308 387,309 3.937,313 79.923,320 1.451,321 25.683,323 1,324 1,325 1,326 0.83,327 1,328 1,329 1,330 1,331 0.98,332 46.333,333 200,334 4.287,335 4.439,336 6.197,337 3.861,338 2.932,339 3.924,340 2.95,341 9.291,342 2.712,343 3.739,344 3.656,345 5.37,346 3.373,347 2.444,348 3.019,349 2.443,350 7.029,351 2.25,352 3.481,353 3.646,354 4.753,355 3.089,356 2.122,357 2.65,358 2.443,359 5.322,360 2.031,361 3.247,362 2.967,363 4.391,364 2.833,365 1.865,366 2.425,367 0.286,368 4.462,369 1.783,370 2.933,371 2.522,372 4.194,373 2.753,374 1.771,375 2.038,376 0.286,377 3.957,378 1.716,379 2.762,380 2.217,381 3.774,382 2.448,383 1.524,384 1.78,386 3.434,387 1.382,388 2.287,389 2.166,390 3.287,391 2.095,392 1.19,393 1.276,395 2.318,396 1.024,397 1.726,398 1.34,399 2.872,400 1.423,401 0.587,402 0.638,404 1.125,405 0.448,406 1.471,407 1.021,408 2.652,409 1.158,410 0.275,411 0.314,413 0.593,414 0.228,415 1,416 0.733,417 2.405,418 0.667,419 -0.181,420 -0.195,422 -0.351,423 -0.136,424 0.844,425 0.57,426 2.185,427 0.469,428 -0.42,429 -0.473,431 -1.03,432 -0.359,433 0.563,434 0.268,435 1.92,436 0.139,437 -0.744,438 -0.848,440 -1.683,441 -0.622,442 0.525,443 0.194,444 1.594,445 0.103,446 -1,447 -1.151,449 -2,450 -0.935,451 0.354,452 -0.025,453 1.138,454 0.092,455 -1,456 -1.324,458 -2,459 -1.018,460 0.205,461 -0.507,462 1.102,463 -0.053,464 -1,465 -1.387,467 -2.462,468 -1.093,469 10.381,470 0.494,471 0.476,472 0.023,473 22.75,474 1.083,475 10.5,476 0.5,477 12.25,478 0.583,479 19.153,480 0.912,481 24.419,482 0.61,483 14.785,484 0.704,485 4.091,486 0.195,487 5.933,488 0.283,489 0.229,491 0.241,496 0.685,497 1.253,498 0.663,499 1.037,500 0.558,501 1.028,502 0.647,503 1.152,504 0.982,505 1.152,506 0.462,507 1.043,508 1.42,509 0.824,510 1.136,511 0.942,512 1.154,513 0.86,514 0.798,515 1.122,516 1.084,517 1.207,518 0.599,519 1.027,520 0.831,521 1.182,522 1.116,523 1.242,524 0.97,525 1.144,526 0.952,527 1.201,528 1.131,529 1.283,530 0.935,531 1.137,532 0.837,533 1.123,534 0.826,535 1.037,536 0.754,537 1.064,538 1.466,539 0.944,540 0.769,541 0.733,542 1.282,543 0.972,544 4.5,545 0.078,546 1.333,547 1.063,548 1.013,549 0.604,550 0.506,551 0.231,552 0.23,553 0.106,554 3803,555 14644,556 1.868,557 47.5,558 2,559 7,563 6,564 4,567 1.635,568 1.726,569 3.228,570 -0.704,572 1,574 1,575 65.563,576 1.639,577 3.115,578 4.078,579 4.484,580 4.584,581 4.684,582 2.701,583 3.785,584 4.352,585 3.393,586 712.488,587 7.482,588 7975.62,589 1,590 1,591 1,592 1,593 212.877,594 1.475,595 4.302,596 0.214,597 0.01,598 0.051,599 0.043,600 0.039,601 0.024,602 0.024,603 0.012,604 0.014,605 0.007,606 0.438,607 0.17,608 1,609 2.341,610 96.44,611 -0.018,612 -0.095,613 0.038,614 -0.031,615 -0.023,616 -0.028,617 0.204,618 -0.086,619 -0.007,620 -0.086,621 0.213,622 -0.04,623 -0.252,624 0.2,625 -0.085,626 0.136,627 -0.175,628 0.104,629 -0.036,630 -0.033,631 -0.035,632 -0.063,633 0.03,634 0.003,635 0.015,636 -0.11,637 -0.103,638 -0.133,639 -0.05,640 -0.137,641 -0.077,642 -0.163,643 -0.06,644 -0.161,645 -0.099,646 -0.129,647 0.124,648 -0.144,649 -0.068,650 -0.133,651 0.08,652 -0.118,653 -0.262,654 -0.034,655 -0.08,656 0.03,657 -0.195,658 -0.08,659 2.048,660 4.112,661 0.286,662 20.93,663 1.014,664 1.121,665 3.886,666 15.101,667 0.673,668 3.091,669 3.296,670 3.367,671 3.584,672 3.738,673 3.738,674 3.807,675 3.714,676 3.497,677 3.091,678 5.804,679 0.629,680 330.86,681 3.091,682 4.554,683 5.313,684 6.138,685 6.932,686 7.77,687 8.585,688 9.429,689 10.256,690 11.103,709 3,714 3,716 6,738 40,739 8,740 1,741 21,743 40,744 15,745 6,746 3,747 3,750 1,752 1,753 1,754 1,759 3,766 3,768 8,769 7,772 2,778 2,782 2,785 1,786 1,789 19,790 4,792 6,793 2,803 1,804 4,823 1,841 2,855 1,856 1,857 1,859 2,860 1,862 21,869 5,872 2,873 1,885 1,886 10,889 2,891 2,893 12.167,894 7.726,895 4.944,896 2.453,898 1.409,899 1.236,900 0.891,901 8.62,902 7.385,903 3.296,904 3.726,905 4.03,906 4.558,907 5.033,908 5.142,909 5.377,910 5.444,911 5.195,912 4.733,913 1,914 25,915 7.741,917 3.028,918 8.013,919 14.548,921 10.872,924 2.513,925 52.778,929 223.651,930 116.072,932 39.149,933 72.29,935 32.22,936 83.852,937 335.089,939 17.65,940 11.353,941 28.429,942 64.673,943 34.037,945 295.019,947 223.651,948 83.852,949 72.29,950 71.368,952 176.567,953 119.374,956 29.003,957 54.849,958 39.149,959 32.22,960 223.651,961 72.29,962 155.22,965 223.651,966 69.993,967 46.079,969 111.438,970 223.651,971 72.29,972 155.22,973 0.545,974 0.27,975 0.15,976 0.088,977 8,978 5,979 0.225,980 9,982 1,983 3.3,984 136.989,986 6,987 92.239,989 1,993 18.18,994 9.957,995 7.626,997 72.29,998 4.962,1003 1.72,1006 451.161,1007 26,1013 22.104,1017 -0.757,1020 40.545,1021 44.854,1022 0.308,1023 0.585,1024 0.766,1025 0.843,1026 0.861,1027 0.88,1028 4.472,1029 0.587,1030 5.252,1031 2.318,1032 3.97,1033 4.407,1034 3.65,1035 5.932,1036 3.824,1037 5.618,1038 0.275,1039 6.725,1040 1.125,1041 3.434,1042 4.182,1043 2.882,1044 6.605,1045 3.27,1046 6.876,1047 -0.181,1048 8.299,1049 0.593,1050 5.416,1051 6.404,1052 5.496,1053 9.652,1054 5.126,1055 8.165,1056 -0.42,1057 9.934,1058 -0.351,1059 5.638,1060 6.941,1061 4.955,1062 11.179,1063 5.295,1064 9.485,1065 -0.744,1066 11.61,1067 -1.03,1068 7.128,1069 8.725,1070 7.495,1071 13.74,1072 6.69,1073 10.826,1074 -1,1075 13.317,1076 -1.683,1077 7.751,1078 9.634,1079 6.85,1080 15.651,1081 7.228,1082 12.186,1083 -1,1084 15.047,1085 -2,1086 9.012,1087 11.23,1088 9.559,1089 18.016,1090 8.417,1091 2.932,1092 -1,1093 16.794,1094 -2,1095 9.853,1096 12.338,1097 8.685,1098 20.101,1099 9.159,1100 2.444,1101 9.291,1102 18.556,1103 -2.462,1104 11.005,1105 13.836,1106 11.657,1107 22.385,1108 10.248,1109 2.122,1110 7.029,1111 20.329,1112 3.924,1113 11.96,1114 15.056,1115 10.495,1116 24.548,1117 11.103,1118 1.865,1119 5.322,1120 22.112,1121 3.019,1122 13.063,1123 16.499,1124 13.775,1125 26.798,1126 12.142,1127 1.771,1128 4.462,1129 23.901,1130 2.65,1131 14.077,1132 17.781,1133 12.293,1134 28.996,1135 13.061,1136 1.524,1137 3.957,1138 25.696,1139 2.425,1140 15.159,1141 19.193,1142 15.908,1143 31.234,1144 14.076,1145 1.19,1146 3.434,1147 27.496,1148 2.038,1149 16.202,1150 20.511,1151 14.085,1152 33.448,1153 15.029,1154 4142,1155 8221,1156 13.118,1157 26.938,1158 29.579,1159 33.326,1160 30.409,1161 29.437,1162 29.417,1163 36.131,1164 16.815,1165 75.061,1166 27.149,1167 5.195,1168 6.439,1169 6.149,1170 4.97,1171 4.932,1172 6.924,1173 5.9,1174 15.655,1175 4.712,1176 13.12,1177 1.409,1178 1.587,1179 1.448,1180 1.402,1181 1.401,1182 1.721,1183 0.801,1184 3.574,1185 1.293,1186 3.927,1187 3.934,1188 4.041,1189 3.872,1190 7.436,1191 3.853,1192 3.702,1193 3.762,1194 3.787,1195 3.592,1196 7.432,1197 3.563,1198 3.536,1199 3.549,1200 3.595,1201 3.287,1202 4.841,1203 3.311,1204 3.454,1205 3.488,1206 3.456,1207 3.256,1208 4.701,1209 3.251,1210 3.322,1211 3.384,1212 3.334,1213 3.205,1214 4.395,1215 3.167,1216 2.902,1217 2.952,1218 3.139,1219 2.845,1220 4.048,1221 2.777,1222 2.864,1223 2.908,1224 2.734,1225 2.693,1226 3.939,1227 2.695,1228 2.686,1229 2.772,1230 2.611,1231 2.505,1232 3.674,1233 2.466,1234 0.204,1235 0.211,1236 0.295,1237 0.184,1238 0.14,1239 4.287,1240 0.187,1241 4.439,1242 0.14,1243 6.197,1244 0.442,1245 3.861,1246 0.129,1247 2.932,1248 3.924,1249 2.95,1250 9.291,1251 2.712,1252 1.872,1253 1.865,1254 1.967,1255 1.97,1256 1.33,1257 1.972,1258 1.712,1259 1.654,1260 1.923,1261 1.868,1262 1.075,1263 1.903,1264 1.427,1265 1.397,1266 1.692,1267 1.707,1268 0.908,1269 1.69,1270 1.385,1271 1.341,1272 1.67,1273 1.629,1274 0.696,1275 1.641,1276 1.325,1277 1.265,1278 1.585,1279 1.5,1280 0.688,1281 1.558,1282 0.902,1283 0.855,1284 1.162,1285 1.068,1286 0.445,1287 1.137,1288 0.82,1289 0.782,1290 1.097,1291 1.061,1292 0.185,1293 1.063,1294 0.69,1295 0.608,1296 0.918,1297 0.939,1298 0.062,1299 0.967,1300 3.761,1302 4.99,1304 6.389,1306 7.886,1308 9.447,1310 2.702,1311 5.636,1315 4.629,1318 10.212,1319 1.569,1326 25.142,1327 65.563,1328 124.612,1329 163.103,1330 179.367,1331 183.367,1332 187.367,1333 56.034,1334 5.976,1335 52.6,1336 77.9,1337 6,1338 11.669,1339 3.17,1340 2.585,1341 53.495,1342 67,1343 91,1344 0.374,1345 168.074,1346 300.48,1347 401.86,1348 2396,1349 2.5,1350 15.665,1351 0.746,1352 0.655,1353 16.518,1354 13.759,1355 10.024,1356 0.477,1357 0.393,1358 6.768,1359 8.77,1360 6.396,1361 5.325,1362 10.832,1363 8.243,1364 8.661,1365 0.333,1366 0.227,1367 9.495,1368 5.909,1369 5.506,1370 0.197,1371 0.138,1372 6.345,1373 3.856,1374 4.584,1375 0.131,1376 0.081,1377 5.402,1378 2.834,1379 3.52,1380 0.086,1381 0.049,1382 4.304,1383 1.999,1384 0.583,1385 71.362,1386 0.276,1387 21.165,1388 1.03,1389 94,1390 366.006,1391 140.962,1392 383.727,1393 488.47,1394 358,1395 101,1396 299.307,1397 135.418,1398 310.157,1399 446.23,1400 291,1401 5.116}
{0 CHEMBL1464723,1 1.706,2 7.889,3 2.002,4 4.006,5 72.177,6 8.199,7 0.579,8 3.556,9 3.65,10 3.427,11 3.184,12 4.636,13 3.116,14 4.063,15 4.209,16 3.669,17 3.493,18 5.457,19 3.43,20 4.216,21 4.394,22 3.64,23 3.557,24 5.503,25 3.454,26 4.248,27 4.449,28 3.517,29 3.495,30 5.465,31 3.371,32 4.109,33 4.272,34 3.321,35 3.337,36 5.45,37 3.214,38 4.114,39 4.342,40 3.12,41 3.165,42 5.377,43 3.069,44 3.762,45 3.974,46 2.897,47 2.997,48 4.96,49 2.932,50 3.624,51 3.833,52 2.588,53 2.963,54 4.622,55 2.83,56 0.088,57 0.483,58 8.583,59 3.34,60 12.437,61 3.759,62 0.265,63 0.742,64 13.297,65 5.063,66 40.233,67 6.171,68 0.283,69 0.844,70 16.331,71 5.856,72 37.366,73 6.717,74 0.225,75 0.823,76 20.606,77 6.852,78 35.227,79 7.511,80 0.255,81 0.682,82 18.86,83 6.256,84 52.144,85 6.239,86 0.329,87 0.64,88 17.722,89 5.409,90 62.297,91 6.064,92 0.176,93 0.488,94 10.448,95 3.472,96 29.699,97 4.282,98 0.096,99 0.433,100 7.39,101 3.198,102 15.934,103 4.331,104 17,105 27,106 0.317,107 0.587,108 0.699,109 0.801,110 0.817,111 0.817,112 2.96,113 1.107,114 -2.91,115 -2.92,116 -2.82,120 40.6,121 2,136 1,138 1,143 6,144 1,147 1,153 1,167 1,174 7,176 3,177 4,185 10,188 2,189 5,197 5,201 8,209 2,214 9,222 2,227 8,235 3,240 5,247 5,252 1,260 6,271 4,274 374,275 11.593,276 11.593,277 11.593,278 11.593,279 11.593,280 9.797,281 7.18,282 6.823,283 11.811,284 9.366,285 9.366,286 9.366,287 9.366,288 9.366,289 6.63,290 6.135,291 3.252,292 9.689,293 3.294,294 1.844,295 1.243,296 0.696,297 0.61,298 0.61,299 3.606,305 1,306 1,307 1,308 294,309 3.162,312 53.928,313 64.522,320 1.136,321 22.157,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 39,333 142,334 4.908,335 4.508,336 7.395,337 4.38,338 3.439,339 4.794,341 12.835,342 3.221,343 4.039,344 2.915,345 5.71,346 3.558,347 2.589,348 3.658,350 7.668,351 2.523,352 3.902,353 2.493,354 5.329,355 3.452,356 2.467,357 3.47,359 6.923,360 2.403,361 3.109,362 2.102,363 4.728,364 2.718,365 1.76,366 2.296,368 4.843,369 1.68,370 2.992,371 1.533,372 4.16,373 2.503,374 1.504,375 2.167,377 3.215,378 1.503,379 2.5,380 1.344,381 3.634,382 2,383 1.007,384 1.5,386 2.908,387 1,388 2.48,389 1,390 3.256,391 1.984,392 1,393 1.425,395 2.136,396 0.977,397 2.321,398 0.673,399 3.247,400 1.557,401 0.567,402 0.958,404 1.347,405 0.559,406 1,407 0.044,408 2.693,409 0.431,410 -0.558,411 -0.65,413 -1.304,414 -0.536,415 0.817,416 -0.17,417 2.37,418 0.391,419 -0.584,420 -0.74,422 -1.343,423 -0.573,424 0.643,425 -0.526,426 2,427 0.17,428 -0.796,429 -0.977,431 -2.096,432 -0.766,433 0.5,434 -0.839,435 2,437 -1,438 -1.5,440 -2.347,441 -1,442 0.473,443 -1,444 1.647,446 -1,447 -1.706,449 -3,450 -1,451 0.096,452 -1,453 1.555,454 -0.337,455 -1.253,456 -1.922,458 -3.702,459 -1.117,460 -0.276,461 -1.44,462 1.204,463 -0.566,464 -1.559,465 -2,467 -4.659,468 -1.54,469 8.8,470 0.489,471 0.598,472 0.033,473 25,474 1.389,475 14.5,476 0.806,477 10.5,478 0.583,479 11.402,480 0.633,481 19.4,482 0.606,483 16.745,484 0.93,485 4.985,486 0.277,487 3.503,488 0.195,489 0.189,490 0.095,491 0.216,496 0.352,497 1.245,498 0.828,499 1.291,500 0.672,501 0.983,502 0.496,503 1.262,504 0.793,505 1.025,506 0.537,507 0.92,508 1.094,509 1,510 1.074,511 0.966,512 0.955,513 1.007,514 1.273,515 1.011,516 1.304,517 1.181,518 1.149,519 1.011,520 1.824,521 1.205,522 1.647,523 1.414,524 1.925,525 1.204,526 1.853,527 0.823,528 1.05,529 0.777,530 1.945,531 0.793,532 1.345,533 0.816,534 0.858,535 0.701,536 1.227,537 0.794,538 0.7,539 0.947,540 0.817,541 0.88,542 0.621,543 1.204,544 5,545 0.012,546 2.444,547 1.66,548 1.006,549 0.448,550 0.266,551 0.203,552 0.1,553 0.046,554 2644,555 7697,556 1.95,557 43.8,559 7,560 1,563 6,567 1.586,568 1.785,569 2.969,570 -0.709,572 1,573 1,574 1,575 54.591,576 1.706,577 3.156,578 3.757,579 4.304,580 4.39,581 4.39,582 2.414,583 3.725,584 4.144,585 3.09,586 472.788,587 7.028,588 4476.64,589 1,590 1,592 1,593 160,594 1.696,595 4.063,596 0.263,597 0.012,598 0.091,599 0.069,600 0.048,601 0.026,602 0.018,603 0.015,604 0.01,605 0.009,606 0.561,607 0.67,608 1,609 0.714,610 76.347,611 0.253,612 -0.08,613 0.273,614 -0.124,615 -0.174,616 -0.007,617 0.42,618 -0.189,619 0.148,620 -0.043,621 0.306,622 0.011,623 -0.034,624 0.092,625 -0.067,626 0.014,627 0.009,628 -0.096,629 -0.152,630 0.009,631 -0.111,632 -0.081,633 -0.018,634 -0.039,635 -0.325,636 -0.228,637 -0.36,638 -0.241,639 -0.214,640 -0.243,641 -0.31,642 0.062,643 -0.043,644 0.149,645 -0.241,646 0.145,647 -0.238,648 0.147,649 -0.078,650 0.117,651 -0.128,652 0.123,653 -0.138,654 -0.016,655 -0.233,656 -0.116,657 -0.118,658 -0.25,659 4.46,660 5.053,661 0.611,662 11.333,663 1.007,664 1.12,665 1.681,666 2.826,667 0.692,668 2.996,669 3.332,670 3.497,671 3.689,672 3.714,673 3.497,674 3.401,675 3.367,676 3.401,677 3.219,678 4.766,679 0.651,680 262.36,681 2.996,682 4.533,683 5.352,684 6.232,685 7.074,686 7.957,687 8.809,688 9.693,689 10.552,690 11.436,691 6.3,699 1,701 1,709 6,710 1,714 3,715 1,716 11,738 32,739 14,740 1,741 19,743 33,744 13,745 9,746 1,747 5,748 2,752 2,753 2,759 2,768 11,769 2,772 3,776 1,778 2,780 2,785 1,786 1,789 14,790 3,792 5,793 1,797 2,803 1,804 2,814 1,822 1,823 1,845 1,855 2,857 1,859 2,862 18,866 1,886 6.3,889 2,893 10.083,894 6.317,895 3.903,896 1.757,898 2.44,899 1.414,900 0.973,901 3.461,902 8.332,903 3.35,904 4.003,905 4.507,906 5.005,907 5.344,908 5.373,909 5.531,910 5.763,911 6.146,912 6.188,913 1,914 24,915 6.835,917 3.046,918 7.995,919 12.48,921 10.004,924 2.495,925 44.917,926 0.001,929 164.795,930 106.332,931 16.834,933 44.313,935 5.807,936 100.525,937 209.108,938 16.834,939 17.65,940 7.841,941 72.141,942 60.976,943 6.113,944 14.528,945 153.024,947 164.795,948 117.358,949 44.313,950 5.807,952 164.795,953 44.313,956 20.578,957 70.641,958 31.947,960 164.795,961 61.147,962 106.332,964 5.807,965 164.795,966 8.699,967 91.996,969 60.976,970 164.795,971 61.147,972 106.332,973 0.59,974 0.328,975 0.168,976 0.085,977 13,978 6,979 0.091,980 3,982 1,983 2.991,984 122.414,986 11,987 69.059,992 1,993 12.748,994 4.887,995 2.962,997 60.976,998 11.006,999 3.972,1003 2.122,1004 1.043,1006 332.274,1007 27.5,1011 -3.543,1013 24.107,1015 2.73,1020 32.236,1021 35.827,1022 0.341,1023 0.631,1024 0.751,1025 0.861,1026 0.878,1027 0.878,1028 4.572,1029 0.567,1030 5.398,1031 2.136,1032 4.007,1033 4.687,1035 6.256,1036 3.936,1037 5.847,1038 -0.558,1039 7.002,1040 1.347,1041 3.892,1042 4.844,1044 7.591,1045 3.733,1046 7.216,1047 -0.584,1048 8.731,1049 -1.304,1050 5.714,1051 7.068,1053 10.604,1054 5.536,1055 8.634,1056 -0.796,1057 10.539,1058 -1.343,1059 6.399,1060 8.052,1062 12.769,1063 6.118,1064 10.09,1065 -1,1066 12.4,1067 -2.096,1068 7.799,1069 9.817,1071 15.442,1072 7.487,1073 11.575,1074 -1,1075 14.299,1076 -2.347,1077 8.809,1078 11.138,1080 17.871,1081 8.399,1082 13.082,1083 -1.253,1084 16.225,1085 -3,1086 10.078,1087 12.755,1089 20.46,1090 9.619,1091 3.439,1092 -1.559,1093 18.17,1094 -3.702,1095 11.22,1096 14.216,1098 22.972,1099 10.673,1100 2.589,1101 12.835,1102 20.13,1103 -4.659,1104 12.453,1105 15.789,1107 25.536,1108 11.846,1109 2.467,1110 7.668,1111 22.1,1112 4.794,1113 13.648,1114 17.308,1116 28.074,1117 12.961,1118 1.76,1119 6.923,1120 24.078,1121 3.658,1122 14.875,1123 18.871,1125 30.631,1126 14.122,1127 1.504,1128 4.843,1129 26.062,1130 3.47,1131 16.092,1132 20.415,1134 33.178,1135 15.265,1136 1.007,1137 3.215,1138 28.05,1139 2.296,1140 17.32,1141 21.977,1143 35.732,1144 16.426,1145 1,1146 2.908,1147 30.042,1148 2.167,1149 18.546,1150 23.533,1152 38.282,1153 17.582,1154 2705,1155 4763,1156 12.019,1157 22.137,1158 29.343,1159 29.506,1160 29.446,1161 28.726,1162 28.664,1163 40.537,1165 83.749,1166 27.736,1167 5.629,1168 6.508,1169 7.197,1170 5.431,1171 5.439,1172 7.794,1174 20.543,1175 5.221,1176 9.603,1177 1.544,1178 1.553,1179 1.55,1180 1.512,1181 1.509,1182 2.134,1184 4.408,1185 1.46,1186 4.128,1187 4.129,1188 4.76,1189 4.065,1190 7.717,1191 3.986,1192 3.889,1193 3.922,1194 3.823,1195 3.82,1196 6.999,1197 3.81,1198 3.647,1199 3.637,1200 3.732,1201 3.577,1202 4.876,1203 3.524,1204 3.19,1205 3.286,1206 3.03,1207 3.021,1208 4.772,1209 2.996,1210 3.077,1211 3.113,1212 2.941,1213 2.954,1214 4.118,1215 2.92,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.884,1221 2.715,1222 2.744,1223 2.859,1224 2.455,1225 2.478,1226 3.674,1227 2.449,1228 2.52,1229 2.594,1230 2.347,1231 2.355,1232 3.613,1233 2.329,1234 0.258,1235 0.237,1236 0.389,1237 0.231,1238 0.181,1239 4.908,1240 0.252,1241 4.508,1243 7.395,1244 0.676,1245 4.38,1246 0.17,1247 3.439,1248 4.794,1250 12.835,1251 3.221,1252 1.942,1253 1.935,1254 2.034,1255 2.018,1256 1.136,1257 2.049,1258 1.753,1259 1.764,1260 1.825,1261 1.89,1262 0.989,1263 1.916,1264 1.589,1265 1.547,1266 1.687,1267 1.736,1268 0.85,1269 1.76,1270 1.333,1271 1.262,1272 1.542,1273 1.528,1274 0.678,1275 1.567,1276 1.013,1277 0.985,1278 1.181,1279 1.22,1280 0.287,1281 1.249,1282 0.886,1283 0.821,1284 1.115,1285 1.062,1286 0.218,1287 1.107,1288 0.694,1289 0.579,1290 1.039,1291 0.967,1292 0.167,1293 1.02,1294 0.598,1295 0.507,1296 0.875,1297 0.882,1299 0.887,1300 3.664,1302 4.99,1303 2.398,1304 6.497,1305 4.727,1306 8.082,1307 6.804,1308 9.71,1310 3.48,1326 20.82,1327 54.591,1328 100.98,1329 120.226,1330 137.735,1331 140.49,1332 140.49,1333 33.896,1334 5.892,1335 51.96,1336 60.34,1337 11,1338 11.974,1339 3.907,1340 3.248,1341 31.043,1342 50,1343 48,1344 0.306,1345 135.832,1346 229.19,1347 323.189,1348 2165,1350 13.173,1351 0.732,1352 0.614,1353 13.423,1354 11.054,1355 8.488,1356 0.447,1357 0.369,1358 5.579,1359 7.46,1360 5.217,1361 4.416,1362 9.309,1363 7.012,1364 8.192,1365 0.303,1366 0.21,1367 9.496,1368 5.676,1369 6.043,1370 0.189,1371 0.118,1372 7.14,1373 3.773,1374 4.888,1375 0.125,1376 0.072,1377 5.948,1378 2.794,1379 3.413,1380 0.085,1381 0.043,1382 4.349,1383 1.721,1384 0.47,1385 61.063,1386 0.288,1387 18.092,1388 0.865,1389 92,1390 293.622,1391 138.212,1392 307.348,1393 413.73,1394 280,1395 105,1396 280.744,1397 159.893,1398 320.829,1399 460.25,1400 298,1401 4.915}
{0 CHEMBL1465527,1 1.654,2 8.522,3 2.091,4 4.374,5 89.867,6 9.037,7 0.5,8 3.755,9 3.805,10 3.775,11 3.463,12 4.866,13 3.367,14 4.273,15 4.356,16 3.992,17 3.811,18 5.819,19 3.714,20 4.531,21 4.662,22 4.138,23 3.953,24 5.881,25 3.82,26 4.621,27 4.741,28 4.203,29 3.896,30 6.019,31 3.805,32 4.647,33 4.765,34 4.087,35 3.815,36 6.467,37 3.767,38 4.521,39 4.669,40 3.864,41 3.776,42 6.045,43 3.678,44 4.498,45 4.671,46 3.666,47 3.674,48 5.887,49 3.586,50 4.344,51 4.551,52 3.239,53 3.433,54 5.644,55 3.334,56 0.136,57 0.515,58 10.277,59 4.907,60 36.446,61 4.44,62 0.381,63 0.815,64 14.965,65 7.639,66 89.956,67 7.467,68 0.397,69 1.086,70 30.439,71 11.359,72 76.332,73 10.329,74 0.672,75 1.141,76 34.146,77 11.538,78 150.232,79 9.488,80 1.194,81 1.078,82 29.403,83 10.186,84 271.077,85 8.939,86 0.666,87 1,88 25.388,89 9.579,90 128.427,91 9.364,92 0.541,93 0.959,94 24.235,95 8.968,96 98.572,97 9.083,98 0.499,99 0.803,100 20.059,101 7.267,102 90.224,103 8.04,104 28,105 34,106 0.292,107 0.528,108 0.639,109 0.726,110 0.787,111 0.814,112 3.189,113 1.236,114 -3.6,115 -3.57,116 -3.4,120 41,126 2,136 1,139 1,143 10,145 2,174 8,176 2,182 1,185 8,189 10,197 4,201 10,209 2,213 4,214 4,217 2,222 4,227 8,230 2,232 2,235 3,240 8,245 4,247 5,252 4,257 3,260 8,269 1,271 8,274 752,275 14.979,276 14.979,277 14.979,278 14.979,279 14.979,280 12.742,281 9.374,282 9,283 15.576,284 11.803,285 11.803,286 11.803,287 11.803,288 11.803,289 8.384,290 7.518,291 4.152,292 12.834,293 3.631,294 2.289,295 1.66,296 1.167,297 0.821,298 0.667,299 3.841,305 1,306 1,307 1,308 401,309 4.359,313 176.454,320 1.153,321 50.141,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 51,333 196,334 4.996,335 5.424,336 7.679,337 4.407,338 3.548,339 4.859,340 3.566,341 13.692,342 3.01,343 4.814,344 5.201,345 7.289,346 4.189,347 3.327,348 4.673,349 2.95,350 12.401,351 2.836,352 3.681,353 3.241,354 5.587,355 3.189,356 2.222,357 3.17,358 0.765,359 6.623,360 2.136,361 3.545,362 2.703,363 4.907,364 2.991,365 2.01,366 3.043,368 5.301,369 1.961,370 3.234,371 2.01,372 4.318,373 2.657,374 1.68,375 2.409,377 4.106,378 1.631,379 2.697,380 1.77,381 3.646,382 2.18,383 1.206,384 1.767,386 2.755,387 1.167,388 2.67,389 1.688,390 3.545,391 2.142,392 1.166,393 1.701,395 2.635,396 1.132,397 2.5,398 1.072,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 1.949,416 1,417 3.171,418 1.746,419 0.806,420 0.898,422 1.501,423 0.749,424 1,425 0.685,426 2.964,427 0.553,428 -0.338,429 -0.403,431 -0.637,432 -0.294,433 1,434 0.309,435 2.553,436 0.23,437 -0.727,438 -0.969,440 -1.624,441 -0.671,442 1,443 0.017,444 2.492,445 0.228,446 -0.731,447 -1.035,449 -1.643,450 -0.682,451 0.736,452 -0.13,453 2,455 -1,456 -1.185,458 -2.347,459 -0.824,460 0.733,461 -0.394,462 2,464 -1,465 -1.5,467 -2.347,468 -1,469 11.333,470 0.493,471 0.71,472 0.031,473 32.25,474 1.402,475 19,476 0.826,477 13.25,478 0.576,479 15.668,480 0.681,481 25.267,482 0.648,483 26.155,484 1.137,485 6.305,486 0.274,487 4.571,488 0.199,489 0.147,490 0.147,491 0.132,496 0.474,497 1.068,498 0.901,499 1.235,500 0.733,501 0.911,502 0.696,503 1.073,504 0.986,505 1.054,506 0.686,507 1.02,508 0.966,509 1.146,510 1.214,511 1.211,512 0.937,513 1.034,514 1.414,515 1.189,516 1.366,517 1.359,518 1.563,519 1.047,520 1.338,521 0.891,522 1.103,523 0.937,524 1.36,525 0.903,526 1.091,527 1.026,528 1.103,529 1.033,530 1.051,531 1.033,532 1.247,533 1.014,534 0.999,535 0.953,536 1.16,537 1.026,538 1.173,539 0.899,540 0.83,541 0.781,542 1.065,543 1.008,544 6,545 0.016,546 3.778,547 2.25,548 1.538,549 1.014,550 0.53,551 0.313,552 0.143,553 0.038,554 4676,555 16805,556 1.926,557 41,559 15,562 1,567 1.665,568 1.769,569 3.055,570 -0.241,571 1,572 1,574 1,575 64.521,576 1.654,577 2.996,578 3.626,579 4.118,580 4.465,581 4.619,582 2.436,583 3.882,584 4.496,585 3.178,586 803.919,587 7.783,588 9012.4,589 1,590 1,592 1,593 206.131,594 1.634,595 4.413,596 0.25,597 0.004,598 0.111,599 0.063,600 0.044,601 0.028,602 0.018,603 0.012,604 0.008,605 0.004,606 0.542,607 0.33,608 1,609 1.069,610 105.636,611 0.107,612 0.036,613 0.258,614 -0.004,615 -0.167,616 0.075,617 0.128,618 -0.047,619 -0.022,620 -0.01,621 0.151,622 -0.081,623 -0.095,624 -0.101,625 -0.017,626 -0.045,627 -0.028,628 -0.027,629 -0.188,630 -0.14,631 -0.079,632 -0.167,633 -0.255,634 -0.079,635 0.151,636 0.086,637 -0.092,638 0.033,639 0.181,640 -0.015,641 -0.019,642 -0.051,643 -0.126,644 -0.059,645 0.027,646 -0.081,647 -0.195,648 -0.076,649 -0.131,650 -0.073,651 -0.126,652 -0.075,653 -0.181,654 -0.007,655 -0.101,656 -0.016,657 -0.142,658 -0.051,659 4.899,660 5.587,661 0.522,662 15.796,663 1.022,664 1.108,665 2.368,666 5.609,667 0.709,668 3.219,669 3.555,670 3.761,671 3.912,672 4.078,673 3.912,674 3.892,675 3.714,676 3.664,677 3.555,678 5.146,679 0.671,680 352.46,681 3.219,682 4.762,683 5.595,684 6.482,685 7.345,686 8.237,687 9.112,688 10.005,689 10.886,690 11.779,709 10,714 2,716 12,738 39,739 17,740 2,741 24,743 40,744 16,745 12,746 2,747 10,752 2,753 2,759 1,768 14,769 2,772 5,776 2,778 4,780 1,782 1,785 1,786 1,789 16,790 5,791 1,792 7,793 2,803 1,804 5,805 1,823 2,845 2,853 1,855 2,857 2,862 23,865 2,868 1,869 2,886 12.8,887 1,889 4,893 13,894 6.617,895 5.125,896 2.017,898 1.943,899 1.312,900 0.953,901 5.372,902 8.162,903 3.584,904 4.234,905 4.696,906 5.125,907 5.572,908 5.475,909 5.743,910 5.533,911 5.731,912 5.873,913 0.833,914 36,915 9.157,917 4.586,918 8.362,919 15.744,921 13.141,924 2.862,925 65.833,929 176.567,930 121.883,933 131.309,935 12.092,936 109.791,937 307.876,940 0.9,941 159.014,942 90.177,943 3.101,945 176.567,947 176.567,948 109.791,949 131.309,950 12.092,952 176.567,953 88.626,954 42.683,956 0.9,957 97.864,958 23.119,960 176.567,961 131.309,962 121.883,964 12.092,965 176.567,966 5.552,967 104.239,969 131.309,970 176.567,971 131.309,972 121.883,973 0.58,974 0.338,975 0.175,976 0.099,977 15,978 7,979 0.15,980 6,982 1,983 3.303,984 178.175,986 12,987 92.042,992 2,993 17.419,994 7.093,995 4.079,997 131.309,998 15.138,1003 0.023,1005 42.683,1006 429.758,1007 35,1011 -7.814,1013 49.992,1015 1.017,1017 -0.338,1020 39.858,1021 43.209,1022 0.313,1023 0.567,1024 0.686,1025 0.779,1026 0.845,1027 0.874,1028 4.812,1029 1,1030 5.659,1031 2.635,1032 4.234,1033 4.92,1034 3.807,1035 6.586,1036 4.053,1037 6.099,1038 1,1039 7.315,1040 2.136,1041 4.205,1042 5.215,1044 8.148,1045 3.741,1046 7.503,1047 0.806,1048 9.115,1049 2.136,1050 6.033,1051 7.375,1052 6.166,1053 11.189,1054 5.546,1055 8.961,1056 -0.338,1057 11,1058 1.501,1059 6.836,1060 8.486,1062 13.489,1063 6.034,1064 10.46,1065 -0.727,1066 12.936,1067 -0.637,1068 8.254,1069 10.233,1070 8.6,1071 16.2,1072 7.397,1073 11.988,1074 -0.731,1075 14.902,1076 -1.624,1077 9.351,1078 11.635,1080 18.7,1081 8.219,1082 13.535,1083 -1,1084 16.887,1085 -1.643,1086 10.646,1087 13.26,1088 11.063,1089 21.326,1090 9.416,1091 3.548,1092 -1,1093 18.883,1094 -2.347,1095 11.842,1096 14.765,1098 23.887,1099 10.383,1100 3.327,1101 13.692,1102 20.887,1103 -2.347,1104 13.102,1105 16.351,1106 13.547,1107 26.49,1108 11.513,1109 2.222,1110 12.401,1111 22.896,1112 4.859,1113 14.331,1114 17.894,1116 29.072,1117 12.543,1118 2.01,1119 6.623,1120 24.909,1121 4.673,1122 15.582,1123 19.467,1124 16.047,1125 31.67,1126 13.646,1127 1.68,1128 5.301,1129 26.924,1130 3.17,1131 16.823,1132 21.024,1134 34.261,1135 14.706,1136 1.206,1137 4.106,1138 28.942,1139 3.043,1140 18.072,1141 22.593,1142 18.56,1143 36.859,1144 15.799,1145 1.166,1146 2.755,1147 30.961,1148 2.409,1149 19.318,1150 24.157,1152 39.456,1153 16.872,1154 4796,1155 9239,1156 15.079,1157 27.659,1158 36.005,1159 38.737,1160 36.869,1161 36.171,1162 35.928,1163 51.041,1164 14.561,1165 106.571,1166 33.242,1167 5.898,1168 7.424,1169 7.481,1170 5.565,1171 5.548,1172 7.859,1173 7.131,1174 21.813,1175 5.01,1176 12.492,1177 1.5,1178 1.614,1179 1.536,1180 1.507,1181 1.497,1182 2.127,1183 0.607,1184 4.44,1185 1.385,1186 4.157,1187 4.117,1188 4.81,1189 4.191,1190 7.721,1191 4.075,1192 4.003,1193 3.981,1194 4.669,1195 4.016,1196 7.708,1197 3.925,1198 3.726,1199 3.747,1200 3.694,1201 3.668,1202 6.999,1203 3.638,1204 3.568,1205 3.532,1206 3.661,1207 3.517,1208 6.999,1209 3.427,1210 3.351,1211 3.357,1212 3.31,1213 3.172,1214 6.458,1215 3.14,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.726,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.706,1227 2.715,1228 2.8,1229 2.857,1230 2.643,1231 2.62,1232 4.102,1233 2.608,1234 0.208,1235 0.226,1236 0.32,1237 0.184,1238 0.148,1239 4.996,1240 0.202,1241 5.424,1242 0.149,1243 7.679,1244 0.571,1245 4.407,1246 0.125,1247 3.548,1248 4.859,1249 3.566,1250 13.692,1251 3.01,1252 2.027,1253 2.055,1254 2.008,1255 2.063,1256 1.345,1257 2.122,1258 1.938,1259 1.944,1260 1.993,1261 1.992,1262 1.153,1263 2.031,1264 1.705,1265 1.687,1266 1.791,1267 1.808,1268 0.974,1269 1.837,1270 1.41,1271 1.45,1272 1.425,1273 1.558,1274 0.718,1275 1.604,1276 1.222,1277 1.217,1278 1.181,1279 1.43,1280 0.5,1281 1.469,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.125,1291 1.062,1292 0.218,1293 1.107,1294 0.786,1295 0.724,1296 1.05,1297 1.006,1298 0.2,1299 1.037,1300 3.892,1302 5.22,1304 6.763,1306 8.395,1308 10.073,1314 9.079,1315 -1.263,1326 26.163,1327 64.521,1328 116.858,1329 141.402,1330 160.621,1331 174.131,1332 180.131,1333 76.385,1334 6.219,1335 88.51,1336 105.27,1337 12,1338 12.308,1339 4.17,1340 3.585,1341 44.874,1342 68,1343 70,1344 0.319,1345 171.212,1346 301.33,1347 409.518,1348 3098,1350 16.924,1351 0.736,1352 0.6,1353 17.424,1354 13.795,1355 10.876,1356 0.453,1357 0.412,1358 6.956,1359 9.013,1360 6.523,1361 5.414,1362 12.486,1363 9.891,1364 10.17,1365 0.299,1366 0.257,1367 12.789,1368 8.734,1369 7.83,1370 0.186,1371 0.165,1372 10.258,1373 6.911,1374 5.951,1375 0.121,1376 0.111,1377 8.321,1378 5.427,1379 4.763,1380 0.082,1381 0.069,1382 7.166,1383 4.012,1384 0.481,1385 84.062,1386 0.258,1387 22.158,1388 0.937,1389 116,1390 416.813,1391 201.38,1392 438.833,1393 568.53,1394 396,1395 134,1396 338.336,1397 235.135,1398 413.115,1399 595.3,1400 384,1401 5.366}
{0 CHEMBL1466484,1 1.878,2 11.346,3 2.965,4 8.791,5 97.819,6 9.23,7 0.393,8 3.889,9 3.967,10 3.659,11 3.451,12 5.09,13 3.431,14 4.414,15 4.533,16 4.032,17 3.837,18 5.676,19 3.786,20 4.637,21 4.811,22 4.045,23 3.887,24 5.8,25 3.797,26 4.584,27 4.749,28 4.03,29 3.755,30 5.931,31 3.698,32 4.494,33 4.67,34 4.004,35 3.645,36 5.961,37 3.604,38 4.406,39 4.563,40 3.842,41 3.601,42 5.678,43 3.595,44 4.392,45 4.509,46 3.808,47 3.594,48 5.734,49 3.6,50 4.389,51 4.519,52 3.816,53 3.549,54 5.814,55 3.542,56 0.207,57 0.594,58 6.508,59 4.2,60 20.103,61 4.345,62 0.484,63 0.959,64 16.345,65 7.579,66 53.897,67 7.904,68 0.795,69 1.113,70 27.919,71 9.499,72 72.808,73 10.415,74 0.87,75 1.044,76 26.555,77 8.741,78 88.364,79 9.263,80 0.916,81 0.932,82 25.398,83 7.465,84 119.214,85 7.87,86 0.652,87 0.88,88 18.814,89 6.39,90 72.496,91 6.632,92 0.661,93 0.809,94 18.097,95 6.435,96 73.164,97 5.941,98 0.781,99 0.804,100 18.575,101 6.514,102 74.532,103 6.211,104 18,105 38,106 0.329,107 0.713,108 0.844,109 0.876,110 0.876,111 0.876,112 3.304,113 1.008,114 -3.4,115 -3.38,116 -3.23,120 39.5,122 2,126 3,128 1,143 4,144 1,145 2,147 1,153 1,159 2,167 1,168 1,172 1,174 3,175 1,177 5,180 2,182 1,185 6,188 1,189 2,190 2,192 2,194 2,197 7,200 3,201 1,202 1,204 3,206 1,207 1,210 1,213 2,214 4,217 2,218 1,219 1,222 3,226 1,227 8,232 1,235 3,236 2,239 1,240 6,241 1,245 2,247 1,248 3,251 1,252 7,255 1,257 5,260 1,261 1,264 5,269 3,271 1,272 1,274 1144,275 17.413,276 17.413,277 17.413,278 17.413,279 17.413,280 15.779,281 18.72,282 10.355,283 17.946,284 13.794,285 13.794,286 13.794,287 13.794,288 13.794,289 11.246,290 17.484,291 4.901,292 14.688,293 3.548,294 1.35,295 0.605,296 0.419,297 0.419,298 0.419,299 3.981,303 1,306 1,307 1,308 626,309 3.606,312 166.058,313 96.181,320 1.988,321 38.865,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 58.333,333 295,334 4.551,335 4.438,336 6.845,337 4.191,338 3.197,339 4.232,340 3.272,341 11.293,342 3.173,343 4.012,344 3.716,345 5.7,346 3.544,347 2.624,348 3.614,349 1.437,350 7.462,351 2.435,352 3.733,353 3.468,354 5.413,355 3.503,356 2.562,357 2.973,358 1.058,359 7.132,360 2.369,361 3.507,362 3.037,363 5.344,364 3.327,365 2.343,366 2.709,367 0.86,368 6.915,369 2.279,370 3.437,371 2.906,372 4.937,373 2.998,374 2.116,375 2.53,377 5.716,378 1.892,379 3.313,380 2.847,381 4.84,382 2.864,383 1.914,384 2.507,386 5.16,387 1.678,388 2.723,389 2.396,390 4.173,391 2.396,392 1.436,393 1.741,395 3.585,396 1.369,397 2.5,398 1.635,399 3.479,400 2.145,401 1.165,402 1.5,404 2.62,405 1.13,406 2.31,407 1.552,408 3.456,409 2,410 1,411 1.272,413 2.275,414 1,415 2.256,416 1.043,417 3.414,418 1.761,419 0.776,420 1.101,422 1.883,423 0.754,424 1.854,425 1.03,426 3.215,427 1.517,428 0.646,429 0.752,431 1.551,432 0.549,433 1.618,434 1,435 3,436 1.49,437 0.618,438 0.618,440 1.372,441 0.523,442 1.519,443 0.999,444 2.803,445 1.272,446 0.306,447 0.349,449 0.693,450 0.29,451 1.125,452 0.963,453 2.367,454 0.69,455 -0.157,456 -0.189,458 -0.348,459 -0.11,460 0.638,461 0.436,462 2.062,463 0.223,464 -0.713,465 -0.805,467 -1.861,468 -0.588,469 12.514,470 0.481,471 0.63,472 0.024,473 30.25,474 1.163,475 13.5,476 0.519,477 16.75,478 0.644,479 22.548,480 0.867,481 28.886,482 0.672,483 22.574,484 0.868,485 5.888,486 0.226,487 6.653,488 0.256,489 0.137,491 0.32,496 0.738,497 1.1,498 0.62,499 0.877,500 0.644,501 0.849,502 0.78,503 1.183,504 0.857,505 1.058,506 0.49,507 0.989,508 0.91,509 1.024,510 1.029,511 1.01,512 0.779,513 0.989,514 0.911,515 1.088,516 0.987,517 1.086,518 0.991,519 0.995,520 0.905,521 0.869,522 0.592,523 0.753,524 1.01,525 0.78,526 1.188,527 1.003,528 0.752,529 0.876,530 1.43,531 0.838,532 1.626,533 1.038,534 1.069,535 0.967,536 1.606,537 0.996,538 1.391,539 1.083,540 0.959,541 0.97,542 1.404,543 0.98,544 5,545 0.086,546 2.889,547 1.472,548 1.652,549 0.646,550 0.478,551 0.484,552 0.283,553 0.186,554 8244,555 29134,556 2.037,557 39.5,559 11,562 2,564 4,567 1.69,568 1.902,569 3.451,570 0.365,571 1,572 1,575 80.746,576 1.878,577 4.076,578 4.822,579 5.008,580 5.008,581 5.008,582 2.988,583 4.085,584 4.667,585 3.638,586 1182.48,587 8.089,588 15142.1,590 1,592 1,593 233.329,594 1.42,595 4.628,596 0.179,597 0.007,598 0.076,599 0.042,600 0.049,601 0.021,602 0.015,603 0.016,604 0.01,605 0.009,606 0.422,607 0.33,608 1,609 0.777,610 128.606,611 -0.029,612 0.04,613 0.022,614 0.063,615 -0.04,616 0.04,617 0.02,618 -0.094,619 -0.024,620 -0.039,621 0.143,622 -0.047,623 -0.005,624 -0.019,625 -0.021,626 0.018,627 -0.001,628 0.006,629 0.129,630 -0.067,631 0.012,632 -0.069,633 0.073,634 -0.037,635 0.179,636 0.142,637 0.255,638 0.178,639 0.222,640 0.156,641 -0.132,642 0.024,643 0.016,644 0.019,645 -0.219,646 0.067,647 -0.357,648 -0.061,649 -0.24,650 -0.09,651 -0.299,652 -0.136,653 -0.124,654 -0.105,655 -0.113,656 -0.053,657 -0.081,658 -0.097,659 2.916,660 5.267,661 0.615,662 26.538,663 1.03,664 1.122,665 2.168,666 4.699,667 0.695,668 3.367,669 3.664,670 3.892,671 4.111,672 4.174,673 4.143,674 4.19,675 4.344,676 4.394,677 4.454,678 6.678,679 0.671,680 396.88,681 3.367,682 4.89,683 5.72,684 6.581,685 7.43,686 8.293,687 9.151,688 10.018,689 10.882,690 11.752,691 4.7,698 1,701 1,709 4,710 1,712 1,714 5,716 11,723 1,725 1,737 1,738 43,739 13,740 1,741 28,743 45,744 17,745 9,746 2,747 4,748 2,752 3,753 3,754 1,763 3,766 3,768 11,769 6,772 2,778 2,782 2,786 1,789 17,790 7,791 2,792 9,793 2,796 1,797 2,803 1,804 5,810 1,822 2,823 1,853 1,854 1,855 3,856 1,857 1,860 1,862 26,868 1,869 5,871 1,872 1,873 1,874 1,885 1,886 11.6,888 1,889 2,890 1,891 1,893 13.667,894 7.543,895 5.778,896 2.509,898 2.021,899 1.292,900 0.935,901 6.59,902 8.946,903 3.597,904 4.123,905 4.621,906 5.116,907 5.433,908 5.467,909 5.549,910 5.946,911 6.221,912 6.562,913 0.875,914 35,915 9.668,917 4.193,918 8.075,919 17.874,921 14.505,924 2.575,925 66.944,928 1,929 176.567,930 104.848,931 37.607,932 39.149,933 113.707,935 32.22,936 72.629,937 329.422,938 37.607,940 30.678,941 37.905,942 129.184,943 20.728,944 5.449,945 208.786,946 39.149,947 176.567,948 110.236,949 113.707,950 71.368,952 129.482,953 149.792,954 11,956 33.434,957 57.205,958 58.745,959 32.22,960 176.567,961 151.315,962 143.997,965 176.567,966 66.943,967 37.905,968 18.011,969 172.452,970 176.567,971 151.315,972 143.997,973 0.578,974 0.331,975 0.175,976 0.087,977 17,978 8,979 0.156,980 7,982 1,983 3.856,984 206.919,986 16,987 118.211,989 1,993 19.235,994 8.908,995 5.019,997 151.315,998 7.134,999 3.776,1001 5.023,1003 1.226,1005 60.694,1006 471.878,1007 35.5,1013 23.86,1017 -1.853,1020 44.309,1021 48.229,1022 0.346,1023 0.751,1024 0.889,1025 0.923,1026 0.923,1027 0.923,1028 4.826,1029 1.165,1030 5.694,1031 3.585,1032 4.344,1033 4.808,1034 3.41,1035 6.469,1036 4.234,1037 6.004,1038 1,1039 7.233,1040 2.62,1041 3.892,1042 4.59,1044 7.353,1045 3.739,1046 7.293,1047 0.776,1048 8.875,1049 2.275,1050 5.9,1051 6.907,1052 5.491,1053 10.437,1054 5.719,1055 8.62,1056 0.646,1057 10.58,1058 1.883,1059 6.293,1060 7.549,1062 12.233,1063 6.102,1064 9.981,1065 0.618,1066 12.329,1067 1.551,1068 7.75,1069 9.34,1070 7.815,1071 14.854,1072 7.54,1073 11.366,1074 0.306,1075 14.109,1076 1.372,1077 8.531,1078 10.377,1080 17.032,1081 8.331,1082 12.771,1083 -0.157,1084 15.916,1085 0.693,1086 9.78,1087 11.965,1088 10.179,1089 19.516,1090 9.571,1091 3.197,1092 -0.713,1093 17.743,1094 -0.348,1095 10.75,1096 13.198,1098 21.847,1099 10.557,1100 2.624,1101 11.293,1102 19.587,1103 -1.861,1104 11.924,1105 14.698,1106 12.549,1107 24.29,1108 11.727,1109 2.562,1110 7.462,1111 21.445,1112 4.232,1113 12.987,1114 16.03,1116 26.679,1117 12.803,1118 2.343,1119 7.132,1120 23.315,1121 3.614,1122 14.137,1123 17.492,1124 14.919,1125 29.109,1126 13.954,1127 2.116,1128 6.915,1129 25.195,1130 2.973,1131 15.245,1132 18.874,1134 31.52,1135 15.072,1136 1.914,1137 5.716,1138 27.083,1139 2.709,1140 16.392,1141 20.32,1142 17.29,1143 33.946,1144 16.219,1145 1.436,1146 5.16,1147 28.977,1148 2.53,1149 17.524,1150 21.728,1152 36.365,1153 17.356,1154 8016,1155 15247,1156 18.493,1157 29.881,1158 41.701,1159 45.739,1160 42.669,1161 41.594,1162 41.406,1163 51.798,1164 13.255,1165 115.315,1166 38.882,1167 5.517,1168 6.438,1169 6.476,1170 5.308,1171 5.197,1172 7.232,1173 6.545,1174 18.372,1175 5.173,1176 12.982,1177 1.489,1178 1.634,1179 1.524,1180 1.485,1181 1.479,1182 1.85,1183 0.473,1184 4.118,1185 1.389,1186 3.976,1187 3.986,1188 4.099,1189 3.894,1190 7.475,1191 3.871,1192 3.865,1193 3.884,1194 3.929,1195 3.75,1196 7.429,1197 3.775,1198 3.815,1199 3.85,1200 3.715,1201 3.646,1202 6.351,1203 3.65,1204 3.411,1205 3.47,1206 3.649,1207 3.222,1208 5.158,1209 3.203,1210 3.21,1211 3.206,1212 3.306,1213 3.073,1214 4.936,1215 3.029,1216 3.093,1217 3.112,1218 3.137,1219 2.791,1220 4.641,1221 2.846,1222 2.893,1223 2.925,1224 3.005,1225 2.735,1226 4.311,1227 2.735,1228 2.854,1229 2.921,1230 2.784,1231 2.729,1232 3.978,1233 2.715,1234 0.163,1235 0.158,1236 0.244,1237 0.15,1238 0.114,1239 4.551,1240 0.151,1241 4.438,1242 0.117,1243 6.845,1244 0.403,1245 4.191,1246 0.113,1247 3.197,1248 4.232,1249 3.272,1250 11.293,1251 3.173,1252 1.874,1253 1.859,1254 1.939,1255 1.925,1256 1.26,1257 1.952,1258 1.684,1259 1.66,1260 1.893,1261 1.885,1262 1.095,1263 1.875,1264 1.602,1265 1.561,1266 1.733,1267 1.749,1268 0.974,1269 1.753,1270 1.449,1271 1.396,1272 1.654,1273 1.69,1274 0.917,1275 1.685,1276 1.285,1277 1.267,1278 1.41,1279 1.584,1280 0.537,1281 1.53,1282 1.016,1283 1.009,1284 1.237,1285 1.361,1286 0.414,1287 1.312,1288 0.886,1289 0.821,1290 1.181,1291 1.169,1292 0.218,1293 1.136,1294 0.824,1295 0.795,1296 1.017,1297 1.062,1298 0.068,1299 1.107,1300 4.043,1302 5.342,1303 3.045,1304 6.812,1305 5.283,1306 8.364,1307 7.286,1308 9.963,1311 5.843,1314 9.466,1315 3.065,1317 2.647,1318 5.428,1319 1.376,1320 -0.046,1326 28.846,1327 80.746,1328 175.276,1329 207.329,1330 215.329,1331 215.329,1332 215.329,1333 62.693,1334 6.925,1335 101.66,1336 126.96,1337 16,1338 12.297,1339 3.807,1340 3.087,1341 44.362,1342 100,1343 111,1344 0.209,1345 184.202,1346 324.97,1347 441.213,1348 9031,1349 2.3,1350 18.518,1351 0.712,1352 0.589,1353 19.372,1354 15.308,1355 12.542,1356 0.448,1357 0.336,1358 8.021,1359 11.16,1360 7.788,1361 6.366,1362 13.285,1363 9.407,1364 11.231,1365 0.296,1366 0.19,1367 12.217,1368 7.211,1369 8.996,1370 0.187,1371 0.108,1372 9.962,1373 5.162,1374 7.26,1375 0.121,1376 0.059,1377 8.082,1378 3.527,1379 5.256,1380 0.082,1381 0.036,1382 6.367,1383 2.319,1384 0.331,1385 87.424,1386 0.233,1387 25.462,1388 0.567,1389 132,1390 494.134,1391 186.972,1392 508.877,1393 660.07,1394 472,1395 152,1396 429.482,1397 197.584,1398 445.672,1399 649.78,1400 418,1401 5.019}
{0 CHEMBL1466526,1 1.737,2 13.6,3 5.22,4 27.253,5 132.248,6 8.459,7 0.692,8 4.185,9 4.277,10 3.899,11 3.755,12 5.356,13 3.742,14 4.696,15 4.84,16 4.272,17 4.108,18 5.836,19 4.092,20 4.814,21 4.955,22 4.347,23 4.228,24 5.972,25 4.18,26 4.942,27 5.119,28 4.285,29 4.258,30 5.997,31 4.17,32 4.924,33 5.116,34 4.285,35 4.243,36 5.923,37 4.152,38 4.908,39 5.09,40 4.316,41 4.238,42 5.986,43 4.171,44 4.991,45 5.214,46 4.166,47 4.234,48 5.966,49 4.156,50 4.91,51 5.099,52 4.152,53 4.215,54 5.976,55 4.137,56 0.08,57 0.899,58 9.821,59 5.424,60 8.031,61 5.99,62 0.426,63 1.458,64 23.537,65 8.898,66 28.989,67 9.814,68 0.511,69 1.678,70 23.576,71 10.386,72 39.648,73 11.096,74 0.616,75 1.84,76 33.206,77 12.167,78 47.916,79 12.973,80 0.665,81 1.73,82 35.257,83 12.407,84 43.347,85 14.334,86 0.568,87 1.788,88 29.975,89 11.821,90 43.052,91 13.982,92 0.584,93 1.798,94 35.031,95 12.294,96 47.113,97 15.29,98 0.673,99 1.7,100 27.943,101 11.18,102 49.487,103 13.433,104 21,105 55,106 0.278,107 0.613,108 0.772,109 0.839,110 0.844,111 0.85,112 3.589,113 0.916,114 -4.46,115 -4.39,116 -4.14,120 44.8,121 1,125 2,126 2,143 8,144 2,145 3,146 2,147 2,153 2,162 1,163 1,174 7,176 2,177 9,185 7,188 3,189 10,197 5,200 2,201 7,209 4,213 3,214 7,222 2,226 4,227 9,235 3,239 1,240 7,247 4,251 1,252 9,260 6,263 1,264 9,271 6,274 2440,275 24.066,276 24.066,277 24.066,278 24.066,279 24.066,280 20.825,281 21.761,282 14.007,283 24.92,284 19.134,285 19.134,286 19.134,287 19.134,288 19.134,289 14.141,290 23.786,291 6.507,292 20.393,293 4.121,294 2.036,295 1.039,296 0.625,297 0.591,298 0.556,299 4.295,307 1,308 1039,309 3.317,312 169.035,313 321.837,316 153.475,320 2.046,321 32.977,324 1,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.85,332 76.5,333 476,334 4.637,335 4.466,336 6.763,337 4.146,338 3.216,339 4.576,340 3.272,341 11.13,342 3.02,343 4.428,344 3.295,345 6.361,346 4.013,347 3.045,348 4.143,349 0.86,350 9.813,351 2.927,352 4.184,353 3.214,354 6.121,355 3.766,356 2.814,357 3.803,358 0.86,359 8.957,360 2.68,361 4.013,362 3.071,363 5.785,364 3.591,365 2.619,366 3.615,367 0.522,368 7.786,369 2.543,370 3.701,371 2.907,372 5.557,373 3.35,374 2.381,375 3.08,377 7.242,378 2.296,379 3.591,380 2.691,381 5.399,382 3.135,383 2.231,384 2.969,386 6.894,387 2.003,388 3.406,389 2.537,390 4.917,391 3.001,392 2.059,393 2.698,395 5.703,396 1.92,397 3.171,398 2.181,399 4.844,400 2.669,401 1.753,402 2.464,404 5.28,405 1.59,406 2.919,407 2.109,408 4.428,409 2.522,410 1.611,411 2.058,413 4.216,414 1.461,415 2.856,416 1.962,417 4.262,418 2.316,419 1.394,420 2.018,422 3.818,423 1.304,424 2.744,425 1.54,426 4.159,427 2.303,428 1.336,429 1.841,431 3.515,432 1.262,433 2.654,434 1.453,435 3.7,436 2.24,437 1.281,438 1.704,440 3.009,441 1.223,442 2.5,443 1.42,444 3.574,445 2,446 1,447 1.5,449 2.275,450 1,451 2.199,452 1.006,453 3.414,454 1.757,455 0.851,456 1.099,458 2.213,459 0.759,460 1.871,461 1,462 3.164,463 1.548,464 0.653,465 0.774,467 1.432,468 0.578,469 16.719,470 0.478,471 0.794,472 0.023,473 49,474 1.4,475 25.5,476 0.729,477 23.5,478 0.671,479 29.69,480 0.848,481 36.681,482 0.632,483 38.546,484 1.101,485 9.847,486 0.281,487 7.203,488 0.206,489 0.107,491 0.353,494 1,496 0.765,497 1.171,498 0.675,499 1.021,500 0.611,501 0.907,502 1.051,503 1.002,504 0.893,505 0.934,506 0.716,507 0.769,508 1.094,509 1.083,510 0.977,511 0.988,512 1.022,513 0.993,514 1.155,515 1.028,516 1.376,517 1.159,518 0.967,519 1.117,520 0.819,521 0.883,522 1.154,523 1.049,524 0.529,525 0.942,526 0.653,527 1.081,528 0.889,529 1.115,530 0.725,531 1.065,532 0.809,533 0.807,534 0.953,535 0.884,536 0.551,537 0.904,538 0.939,539 0.765,540 0.918,541 0.847,542 0.695,543 1.01,544 7,545 0.292,546 4.222,547 2.368,548 1.988,549 1.219,550 0.821,551 0.715,552 0.4,553 0.291,554 18715,555 56306,556 2.123,557 39.7,559 18,561 2,563 3,567 1.77,568 2,569 3.699,570 -0.737,575 100.755,576 1.737,577 3.822,578 4.819,579 5.233,580 5.267,581 5.302,582 3.175,583 4.901,584 5.097,585 3.864,586 2299.15,587 8.967,588 36048.8,593 339.763,594 1.366,595 5.067,596 0.179,597 0.008,598 0.077,599 0.042,600 0.04,601 0.024,602 0.015,603 0.014,604 0.008,605 0.007,606 0.415,607 0.17,608 0.75,609 0.74,610 189.514,611 -0.034,612 -0.188,613 0.073,614 -0.079,615 -0.041,616 -0.025,617 -0.062,618 -0.024,619 0.08,620 0.064,621 0.015,622 0.143,623 -0.062,624 -0.028,625 -0.042,626 -0.002,627 -0.063,628 -0.089,629 -0.181,630 -0.024,631 -0.24,632 -0.092,633 -0.163,634 -0.175,635 0.016,636 -0.002,637 0.005,638 0.043,639 0.02,640 0.056,641 0.142,642 -0.119,643 0.058,644 -0.137,645 0.024,646 -0.098,647 -0.059,648 0.048,649 -0.012,650 0.046,651 -0.008,652 0.084,653 -0.041,654 0.116,655 -0.088,656 0.049,657 -0.012,658 -0.057,659 1.913,660 5.279,661 0.743,662 41.102,663 1.014,664 1.121,665 3.232,666 10.443,667 0.7,668 3.689,669 4.025,670 4.331,671 4.605,672 4.844,673 4.942,674 5.1,675 5.293,676 5.416,677 5.513,678 7.793,679 0.674,680 490.6,681 3.689,682 5.242,683 6.107,684 6.993,685 7.877,686 8.768,687 9.66,688 10.555,689 11.451,690 12.349,691 6.9,699 1,701 3,708 2,709 10,710 3,712 1,714 9,715 1,716 27,735 2,737 1,738 58,739 27,740 2,741 39,743 62,744 26,745 21,746 5,747 7,752 5,753 6,759 1,768 21,769 5,787 1,789 23,790 7,792 9,793 1,794 1,797 4,803 0.8,804 3,808 1,816 1,822 2,823 3,826 1,855 4,856 1,857 1,859 3,861 1,862 35,869 2,872 2,873 1,885 1,886 5.2,891 3,893 17.5,894 11.693,895 7.75,896 3.222,898 5.116,899 1.605,900 1.005,901 6.868,902 13.578,903 3.98,904 4.64,905 5.276,906 5.886,907 6.406,908 6.706,909 7.137,910 7.607,911 7.935,912 8.309,913 1,914 56,915 12.892,917 5.456,918 7.748,919 24.481,921 19.829,924 2.248,925 78.667,929 270.735,930 203.907,931 52.256,933 31.507,934 14.96,935 32.22,936 171.687,937 302.242,938 67.216,939 30.591,940 3.005,941 75.81,942 78.919,943 83.074,944 22.553,945 279.413,947 270.735,948 223.943,949 46.467,950 32.22,952 285.695,953 31.507,956 42.438,957 131.148,958 50.357,959 32.22,960 285.695,961 83.763,962 203.907,965 270.735,966 79.411,967 126.395,969 96.824,970 270.735,971 98.723,972 203.907,973 0.58,974 0.35,975 0.19,976 0.105,977 27,978 12,979 0.129,980 8,981 1,982 1.077,983 4.569,984 339.084,985 0.077,986 26,987 175.525,989 1,993 23.555,994 10.205,995 4.962,996 1.757,997 96.824,998 17.479,999 13.865,1001 6.016,1003 5.643,1004 2.083,1006 573.365,1007 52.5,1020 58.814,1021 65.033,1022 0.297,1023 0.652,1024 0.823,1025 0.893,1026 0.899,1027 0.905,1028 5.214,1029 1.753,1030 6.094,1031 5.703,1032 4.71,1033 5.328,1034 3.255,1035 6.917,1036 4.593,1037 6.44,1038 1.611,1039 7.66,1040 5.28,1041 4.29,1042 5.173,1044 7.825,1045 4.13,1046 7.76,1047 1.394,1048 9.323,1049 4.216,1050 6.319,1051 7.6,1052 5.45,1053 10.924,1054 6.108,1055 9.12,1056 1.336,1057 11.042,1058 3.818,1059 6.735,1060 8.29,1062 12.672,1063 6.471,1064 10.511,1065 1.281,1066 12.799,1067 3.515,1068 8.214,1069 10.167,1070 7.807,1071 15.281,1072 7.91,1073 11.924,1074 1,1075 14.581,1076 3.009,1077 9.012,1078 11.259,1080 17.383,1081 8.649,1082 13.356,1083 0.851,1084 16.381,1085 2.275,1086 10.276,1087 12.909,1088 10.177,1089 19.831,1090 9.873,1091 3.216,1092 0.653,1093 18.197,1094 2.213,1095 11.255,1096 14.203,1098 22.09,1099 10.789,1100 3.045,1101 11.13,1102 20.023,1103 1.432,1104 12.434,1105 15.756,1106 12.548,1107 24.486,1108 11.923,1109 2.814,1110 9.813,1111 21.86,1112 4.576,1113 13.497,1114 17.151,1116 26.814,1117 12.923,1118 2.619,1119 8.957,1120 23.704,1121 4.143,1122 14.646,1123 18.665,1124 14.919,1125 29.199,1126 14.022,1127 2.381,1128 7.786,1129 25.555,1130 3.803,1131 15.749,1132 20.111,1134 31.56,1135 15.063,1136 2.231,1137 7.242,1138 27.411,1139 3.615,1140 16.889,1141 21.613,1142 17.29,1143 33.945,1144 16.149,1145 2.059,1146 6.894,1147 29.273,1148 3.08,1149 18.013,1150 23.086,1152 36.323,1153 17.211,1154 17593,1155 30685,1156 26.353,1157 40.585,1158 58.613,1159 62.249,1160 60.779,1161 58.287,1162 58.339,1163 78.886,1164 11.028,1165 169.815,1166 54.716,1167 5.489,1168 6.466,1169 6.444,1170 5.291,1171 5.216,1172 7.576,1173 6.545,1174 18.149,1175 5.02,1176 16.466,1177 1.503,1178 1.596,1179 1.558,1180 1.495,1181 1.496,1182 2.023,1183 0.283,1184 4.354,1185 1.403,1186 4.125,1187 4.164,1188 4.175,1189 3.992,1190 8.201,1191 4.004,1192 3.979,1193 3.994,1194 3.961,1195 3.868,1196 5.16,1197 3.881,1198 3.907,1199 3.934,1200 3.876,1201 3.84,1202 5.048,1203 3.837,1204 3.765,1205 3.783,1206 3.721,1207 3.603,1208 4.889,1209 3.629,1210 3.39,1211 3.443,1212 3.604,1213 3.3,1214 4.634,1215 3.245,1216 3.252,1217 3.314,1218 3.172,1219 3.042,1220 4.496,1221 3.042,1222 3.247,1223 3.313,1224 3.075,1225 2.998,1226 4.476,1227 2.997,1228 3.17,1229 3.228,1230 3.05,1231 2.95,1232 4.25,1233 2.958,1234 0.119,1235 0.115,1236 0.173,1237 0.106,1238 0.082,1239 4.637,1240 0.117,1241 4.466,1242 0.084,1243 6.763,1244 0.285,1245 4.146,1246 0.077,1247 3.216,1248 4.576,1249 3.272,1250 11.13,1251 3.02,1252 1.899,1253 1.876,1254 2,1255 2.015,1256 1.157,1257 2.003,1258 1.887,1259 1.874,1260 1.97,1261 1.996,1262 1.106,1263 1.989,1264 1.865,1265 1.829,1266 1.947,1267 1.98,1268 1.079,1269 1.983,1270 1.629,1271 1.589,1272 1.784,1273 1.804,1274 0.9,1275 1.799,1276 1.391,1277 1.356,1278 1.585,1279 1.627,1280 0.71,1281 1.615,1282 1.266,1283 1.233,1284 1.576,1285 1.526,1286 0.625,1287 1.54,1288 1.191,1289 1.115,1290 1.553,1291 1.521,1292 0.577,1293 1.534,1294 1.155,1295 1.091,1296 1.371,1297 1.353,1298 0.574,1299 1.386,1300 4.369,1302 5.7,1303 3.045,1304 7.222,1305 5.476,1306 8.826,1307 7.618,1308 10.474,1310 5.091,1312 13.279,1315 1.127,1318 10.745,1319 1.582,1326 39.068,1327 100.755,1328 221.683,1329 279.498,1330 303.498,1331 305.498,1332 307.498,1333 55.096,1334 8.462,1335 75.2,1336 100.5,1337 28,1338 12.873,1339 4.807,1340 3.858,1341 52.094,1342 160,1343 181,1344 0.154,1345 239.571,1346 405.33,1347 576.312,1348 64385,1349 1.7,1350 24.363,1351 0.696,1352 0.58,1353 23.847,1354 20.304,1355 17.05,1356 0.437,1357 0.305,1358 10.793,1359 15.781,1360 10.369,1361 8.614,1362 17.111,1363 11.902,1364 15.186,1365 0.276,1366 0.16,1367 15.115,1368 8.794,1369 13.365,1370 0.178,1371 0.089,1372 13.662,1373 6.675,1374 11.052,1375 0.112,1376 0.048,1377 11.687,1378 4.726,1379 9.174,1380 0.073,1381 0.027,1382 9.749,1383 3.396,1384 0.243,1385 112.611,1386 0.195,1387 32.228,1388 0.42,1389 188,1390 640.759,1391 233.599,1392 604.124,1393 828.13,1394 570,1395 224,1396 599.022,1397 267.16,1398 612.282,1399 898.81,1400 572,1401 4.459}
{0 CHEMBL1466674,1 1.6,2 12.346,3 2.673,4 7.143,5 97.866,6 7.405,7 0.429,8 3.956,9 4.082,10 3.505,11 3.487,12 5.078,13 3.467,14 4.498,15 4.676,16 3.857,17 3.871,18 5.638,19 3.823,20 4.803,21 5.025,22 3.886,23 3.995,24 5.889,25 3.92,26 4.856,27 5.108,28 3.759,29 3.889,30 5.951,31 3.803,32 4.708,33 4.946,34 3.695,35 3.773,36 5.869,37 3.706,38 4.594,39 4.801,40 3.587,41 3.783,42 5.732,43 3.692,44 4.623,45 4.868,46 3.532,47 3.824,48 5.668,49 3.676,50 4.625,51 4.905,52 3.405,53 3.695,54 5.627,55 3.532,56 0.043,57 0.764,58 9.71,59 4.372,60 8.985,61 5.708,62 0.281,63 1.218,64 18.505,65 7.315,66 26.383,67 9.942,68 0.329,69 1.509,70 27.328,71 9.416,72 55.342,73 12.96,74 0.522,75 1.395,76 30.905,77 9.354,78 83.724,79 13.097,80 0.52,81 1.165,82 26.572,83 8.021,84 85.803,85 11.166,86 0.514,87 1.127,88 22.649,89 7.8,90 74.838,91 10.248,92 0.376,93 1.178,94 23.138,95 9.029,96 65.589,97 12.854,98 0.343,99 1.119,100 24.334,101 8.764,102 66.154,103 12.821,104 17,105 38,106 0.273,107 0.601,108 0.766,109 0.837,110 0.837,111 0.837,112 3.303,113 0.932,114 -4.34,115 -4.28,116 -4.04,120 41.7,121 1,122 2,126 2,128 1,143 8,144 2,145 2,159 1,160 1,174 9,176 1,177 3,180 3,182 5,185 11,189 2,194 4,197 7,201 10,204 1,206 4,209 3,214 6,219 2,222 4,226 1,227 1,230 1,231 1,235 8,240 2,247 8,251 1,252 3,255 1,257 3,264 4,269 4,274 956,275 17.309,276 17.309,277 17.309,278 17.309,279 17.309,280 15.535,281 23.919,282 10.254,283 17.555,284 13.804,285 13.804,286 13.804,287 13.804,288 13.804,289 11.139,290 33.682,291 4.91,292 14.199,293 3.985,294 2.063,295 1.099,296 0.682,297 0.682,298 0.682,299 3.984,305 1,306 1,307 1,308 682,309 3.317,313 295.309,320 2.166,321 32.6,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57,333 321,334 4.212,335 3.689,336 6.09,337 3.881,338 2.897,339 3.79,340 1.701,341 8.854,342 2.869,343 4.088,344 3.573,345 6.049,346 3.791,347 2.823,348 3.633,349 1.058,350 8.694,351 2.703,352 3.882,353 2.92,354 5.416,355 3.542,356 2.577,357 3.112,358 0.563,359 7.168,360 2.483,361 3.648,362 2.648,363 5.302,364 3.359,365 2.386,366 2.942,367 0.075,368 6.807,369 2.315,370 3.414,371 2.571,372 4.961,373 3.132,374 2.139,375 2.643,377 5.792,378 2.122,379 3.285,380 2.395,381 4.89,382 2.959,383 2.016,384 2.383,386 5.665,387 1.877,388 2.814,389 2.089,390 4.103,391 2.384,392 1.383,393 1.894,395 3.552,396 1.375,397 2.587,398 1.794,399 3.918,400 2.23,401 1.239,402 1.571,404 3.074,405 1.216,406 2.5,407 1.176,408 3.465,409 2.016,410 1.006,411 1.5,413 2.441,414 1.009,415 2.46,416 1.077,417 3.414,418 2,419 1,420 1.363,422 2.275,423 1,424 2,425 1,426 3.414,427 1.984,428 1,429 1,431 2.275,432 0.983,433 1.402,434 0.782,435 2.832,436 1.053,437 0.113,438 0.134,440 0.261,441 0.104,442 1.112,443 0.584,444 2.602,445 0.867,446 -0.123,447 -0.142,449 -0.294,450 -0.119,451 0.944,452 0.184,453 2,454 0.596,455 -0.406,456 -0.511,458 -0.9,459 -0.406,460 0.708,461 -0.13,462 2,463 0.289,464 -0.658,465 -0.785,467 -1.604,468 -0.6,469 12.152,470 0.467,471 0.664,472 0.026,473 32,474 1.231,475 15.5,476 0.596,477 16.5,478 0.635,479 20.778,480 0.799,481 28.648,482 0.597,483 23.742,484 0.913,485 6.46,486 0.248,487 6.048,488 0.233,489 0.12,491 0.321,494 1,496 0.629,497 1.187,498 0.776,499 1.092,500 0.518,501 0.983,502 0.543,503 1.061,504 0.852,505 1.071,506 0.484,507 1.034,508 0.979,509 1.121,510 1.05,511 1.119,512 0.85,513 1.092,514 1.178,515 0.875,516 1.063,517 0.939,518 1.164,519 0.96,520 1.209,521 0.718,522 0.994,523 0.829,524 1.325,525 0.86,526 1.208,527 0.799,528 1.25,529 0.967,530 1.372,531 1.099,532 0.337,533 0.902,534 0.927,535 1.171,536 0.368,537 1.183,538 0.37,539 0.971,540 0.817,541 1.094,542 0.351,543 1.066,544 6,545 0.153,546 2.889,547 1.375,548 1.547,549 0.708,550 0.323,551 0.378,552 0.25,553 0.126,554 8858,555 25486,556 2.037,557 45.8,558 3,559 13,562 2,565 4,567 1.684,568 1.902,569 3.592,570 0.251,571 1,572 1,575 76.777,576 1.6,577 3.522,578 4.486,579 4.903,580 4.903,581 4.903,582 3.123,583 3.584,584 4.671,585 3.769,586 1225,587 8.057,588 16106.2,590 1,592 1,593 268.078,594 1.42,595 4.628,596 0.214,597 0.01,598 0.076,599 0.037,600 0.05,601 0.024,602 0.012,603 0.015,604 0.012,605 0.007,606 0.457,607 0.33,608 1,609 0.596,610 130.389,611 -0.042,612 -0.1,613 0.03,614 -0.017,615 -0.028,616 0.016,617 0.148,618 -0.037,619 0.021,620 -0.058,621 0.093,622 -0.054,623 -0.102,624 -0.134,625 -0.104,626 -0.149,627 -0.039,628 -0.126,629 -0.131,630 -0.012,631 -0.053,632 -0.025,633 -0.105,634 -0.018,635 -0.108,636 0.059,637 0.016,638 0.089,639 -0.114,640 0.08,641 -0.135,642 0.097,643 -0.285,645 -0.205,646 -0.15,647 0.228,648 -0.05,649 -0.017,650 -0.151,651 0.175,652 -0.144,653 0.225,654 -0.177,655 0.137,656 -0.113,657 0.206,658 -0.031,659 2.006,660 5.315,661 0.692,662 27.077,663 1.006,664 1.133,665 3.113,666 9.692,667 0.656,668 3.367,669 3.664,670 3.85,671 4.025,672 4.234,673 4.143,674 4.205,675 4.248,676 4.29,677 4.317,678 7.252,679 0.628,680 355.45,681 3.367,682 4.89,683 5.707,684 6.555,685 7.386,686 8.233,687 9.069,688 9.915,689 10.754,690 11.6,691 6.3,698 3,709 8,714 4,716 12,723 1,737 1,738 48,739 14,740 2,741 28,743 50,744 20,745 12,746 4,747 8,748 1,752 3,753 3,757 1,759 1,763 3,766 3,768 14,769 6,772 2,778 2,782 2,785 1,786 1,787 1,789 22,790 6,791 2,792 6,797 3,803 1,804 2,823 3,855 3,859 1,861 1,862 26,869 4,871 2,874 1,875 1,885 1,886 4.2,889 2,893 13.667,894 8.676,895 5.722,896 2.897,898 1.894,899 1.271,900 0.97,901 5.894,902 8.885,903 3.611,904 4.127,905 4.559,906 4.99,907 5.443,908 5.305,909 5.435,910 5.404,911 5.461,912 5.587,913 1,914 37,915 9.675,917 4.129,918 7.974,919 18.225,921 14.856,924 2.474,925 64.333,928 1,929 235.422,930 121.145,931 39.146,933 50.29,934 14.96,936 121.145,937 285.712,938 54.106,939 8.825,940 48.426,941 75.81,942 54.995,943 18.249,944 19.236,945 235.422,947 235.422,948 160.291,949 65.25,952 203.298,953 97.374,956 57.251,957 103.039,960 250.382,961 89.436,962 121.145,965 235.422,966 36.51,967 87.759,968 36.022,969 65.25,970 235.422,971 104.396,972 121.145,973 0.581,974 0.326,975 0.163,976 0.092,977 17,978 8,979 0.06,980 3,982 1,983 3.899,984 203.204,986 18,987 109.457,993 18.403,994 8.327,995 5.061,997 104.396,998 13.158,1003 1.922,1005 36.022,1006 460.963,1007 36,1013 24.589,1017 -0.289,1020 48.309,1021 54.405,1022 0.286,1023 0.631,1024 0.803,1025 0.878,1026 0.878,1027 0.878,1028 4.836,1029 1.239,1030 5.68,1031 3.552,1032 4.344,1033 4.812,1034 2.161,1035 6.415,1036 4.29,1037 6.01,1038 1.006,1039 7.198,1040 3.074,1041 3.892,1042 4.511,1043 1.305,1044 7.14,1045 3.8,1046 7.286,1047 1,1048 8.807,1049 2.441,1050 5.878,1051 6.852,1052 2.696,1053 10.158,1054 5.767,1055 8.587,1056 1,1057 10.466,1058 2.275,1059 6.176,1060 7.278,1061 2.473,1062 11.649,1063 6.03,1064 9.914,1065 0.113,1066 12.157,1067 2.275,1068 7.649,1069 9.147,1070 3.478,1071 14.171,1072 7.486,1073 11.258,1074 -0.123,1075 13.87,1076 0.261,1077 8.302,1078 9.922,1079 3.608,1080 16.003,1081 8.109,1082 12.615,1083 -0.406,1084 15.598,1085 -0.294,1086 9.547,1087 11.574,1088 4.397,1089 18.327,1090 9.336,1091 2.897,1092 -0.658,1093 17.338,1094 -0.9,1095 10.384,1096 12.545,1097 4.717,1098 20.327,1099 10.147,1100 2.823,1101 8.854,1102 19.088,1103 -1.604,1104 11.52,1105 14.076,1106 5.388,1107 22.565,1108 11.266,1109 2.577,1110 8.694,1111 20.845,1112 3.79,1113 12.453,1114 15.167,1115 5.808,1116 24.649,1117 12.177,1118 2.386,1119 7.168,1120 22.609,1121 3.633,1122 13.539,1123 16.623,1124 6.415,1125 26.849,1126 13.246,1127 2.139,1128 6.807,1129 24.378,1130 3.112,1131 14.524,1132 17.793,1133 6.887,1134 28.976,1135 14.211,1136 2.016,1137 5.792,1138 26.151,1139 2.942,1140 15.586,1141 19.202,1142 7.46,1143 31.159,1144 15.257,1145 1.383,1146 5.665,1147 27.928,1148 2.643,1149 16.6,1150 20.423,1151 7.96,1152 33.308,1153 16.253,1154 8572,1155 14676,1156 18.493,1157 31.478,1158 41.725,1159 43.509,1160 42.567,1161 41.177,1162 41.16,1163 51.933,1164 6.796,1165 113.714,1166 40.111,1167 5.212,1168 5.689,1169 5.643,1170 4.923,1171 4.897,1172 6.79,1173 2.972,1174 15.137,1175 4.869,1176 13.347,1177 1.49,1178 1.554,1179 1.52,1180 1.471,1181 1.47,1182 1.855,1183 0.243,1184 4.061,1185 1.433,1186 3.98,1187 4.02,1188 3.915,1189 3.891,1190 8.201,1191 3.89,1192 3.912,1193 3.943,1194 3.859,1195 3.825,1196 7.431,1197 3.828,1198 3.823,1199 3.875,1200 3.723,1201 3.682,1202 7.427,1203 3.683,1204 3.445,1205 3.494,1206 3.389,1207 3.187,1208 4.72,1209 3.227,1210 3.27,1211 3.317,1212 3.186,1213 3.057,1214 4.664,1215 3.079,1216 3.111,1217 3.206,1218 2.921,1219 2.941,1220 4.32,1221 2.915,1222 3.103,1223 3.182,1224 2.866,1225 2.917,1226 3.911,1227 2.91,1228 2.916,1229 2.98,1230 2.836,1231 2.735,1232 3.858,1233 2.731,1234 0.15,1235 0.132,1236 0.218,1237 0.139,1238 0.103,1239 4.212,1240 0.135,1241 3.689,1242 0.061,1243 6.09,1244 0.316,1245 3.881,1246 0.102,1247 2.897,1248 3.79,1249 1.701,1250 8.854,1251 2.869,1252 1.933,1253 1.907,1254 2.059,1255 2.06,1256 1.394,1257 2.06,1258 1.884,1259 1.853,1260 2.016,1261 2.003,1262 1.139,1263 2.007,1264 1.808,1265 1.751,1266 1.973,1267 1.954,1268 1.046,1269 1.964,1270 1.322,1271 1.273,1272 1.562,1273 1.609,1274 0.825,1275 1.573,1276 1.207,1277 1.149,1278 1.513,1279 1.452,1280 0.645,1281 1.462,1282 1.153,1283 1.064,1284 1.43,1285 1.376,1286 0.588,1287 1.429,1288 1.067,1289 1.013,1290 1.249,1291 1.331,1292 0.258,1293 1.324,1294 0.886,1295 0.821,1296 1.181,1297 1.107,1298 0.218,1299 1.114,1300 4.043,1302 5.342,1304 6.825,1306 8.384,1308 9.978,1310 1.953,1312 12.913,1315 2.528,1317 5.798,1320 0.054,1321 1.707,1326 30.145,1327 76.777,1328 169.059,1329 215.323,1330 235.323,1331 235.323,1332 235.323,1333 58.149,1334 6.991,1335 61.44,1336 61.44,1337 18,1338 12.162,1339 3.907,1340 3.17,1341 44.706,1342 117,1343 106,1344 0.19,1345 186.591,1346 331.21,1347 447.043,1348 10322,1349 2.1,1350 18.518,1351 0.712,1352 0.564,1353 17.648,1354 14.666,1355 12.508,1356 0.447,1357 0.311,1358 8.585,1359 12.03,1360 8.389,1361 6.959,1362 12.114,1363 8.701,1364 11.365,1365 0.299,1366 0.172,1367 10.743,1368 6.541,1369 9.024,1370 0.196,1371 0.098,1372 8.613,1373 4.493,1374 6.992,1375 0.127,1376 0.055,1377 6.85,1378 3.018,1379 5.695,1380 0.084,1381 0.031,1382 5.404,1383 2.111,1384 0.308,1385 78.46,1386 0.233,1387 25.762,1388 0.495,1389 132,1390 441.893,1391 146.948,1392 401.334,1393 528.06,1394 372,1395 150,1396 371.648,1397 163.558,1398 370.645,1399 534.91,1400 348,1401 4.486}
{0 CHEMBL1466846,1 1.631,2 12.259,3 2.93,4 8.585,5 100.229,6 8.428,7 0.621,8 3.869,9 3.969,10 3.53,11 3.44,12 5.155,13 3.441,14 4.329,15 4.453,16 3.852,17 3.796,18 5.712,19 3.783,20 4.594,21 4.764,22 3.898,23 3.894,24 5.883,25 3.86,26 4.637,27 4.832,28 3.806,29 3.783,30 5.98,31 3.753,32 4.512,33 4.702,34 3.708,35 3.685,36 5.832,37 3.667,38 4.38,39 4.553,40 3.658,41 3.674,42 5.665,43 3.642,44 4.412,45 4.595,46 3.667,47 3.679,48 5.933,49 3.623,50 4.357,51 4.564,52 3.452,53 3.575,54 5.532,55 3.493,56 0.157,57 0.611,58 6.535,59 3.557,60 7.522,61 4.112,62 0.294,63 0.938,64 11.563,65 5.739,66 44.727,67 6.694,68 0.369,69 1.164,70 18.037,71 7.693,72 38.109,73 9.253,74 0.564,75 1.146,76 21.804,77 7.903,78 70.605,79 9.342,80 0.525,81 0.99,82 19.714,83 6.977,84 93.504,85 7.952,86 0.39,87 0.913,88 15.418,89 6.177,90 54.868,91 7.203,92 0.589,93 0.935,94 16.39,95 6.639,96 110.612,97 8.373,98 0.391,99 0.879,100 16.267,101 6.424,102 47.544,103 8.197,104 18,105 39,106 0.278,107 0.537,108 0.682,109 0.809,110 0.847,111 0.847,112 3.339,113 0.854,114 -4.03,115 -3.98,116 -3.77,120 46.5,126 1,143 11,144 2,145 2,146 2,158 1,159 1,167 2,174 10,176 1,177 4,180 1,182 3,185 9,187 2,189 9,191 1,194 3,197 4,199 2,201 10,203 1,206 2,208 1,209 2,211 2,214 6,222 6,224 2,226 1,227 2,235 10,237 2,239 3,240 1,242 1,243 1,245 1,247 9,249 2,252 2,254 2,257 2,260 3,262 1,264 6,269 2,271 2,274 1191,275 18.068,276 18.068,277 18.068,278 18.068,279 18.068,280 15.382,281 19.228,282 10.807,283 18.225,284 14.306,285 14.306,286 14.306,287 14.306,288 14.306,289 10.3,290 24.651,291 5.141,292 14.531,293 3.795,294 2.283,295 1.432,296 0.686,297 0.465,298 0.465,299 4.02,305 1,306 1,307 1,308 699,309 3.674,313 296.809,320 1.992,321 36.761,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 59.5,333 331,334 4.305,335 3.779,336 6.118,337 3.915,338 2.922,339 3.983,340 2.612,341 8.966,342 2.907,343 4.232,344 3.625,345 6.054,346 3.833,347 2.837,348 3.821,349 1.38,350 8.684,351 2.824,352 4.037,353 3.569,354 5.871,355 3.611,356 2.632,357 3.504,358 1.058,359 8.017,360 2.57,361 3.883,362 2.608,363 5.384,364 3.448,365 2.472,366 3.434,368 7.092,369 2.41,370 3.587,371 2.511,372 5.193,373 3.151,374 2.189,375 2.929,377 6.408,378 2.091,379 3.17,380 2.279,381 4.216,382 2.597,383 1.589,384 2.377,386 3.87,387 1.596,388 2.944,389 1.813,390 4.013,391 2.462,392 1.467,393 2.11,395 3.424,396 1.454,397 2.79,398 1.684,399 3.672,400 2.279,401 1.28,402 1.884,404 2.873,405 1.274,406 2.612,407 1.519,408 3.54,409 2.018,410 1,411 1.544,413 2.531,414 1.013,415 2.528,416 1.185,417 3.45,418 2.003,419 1,420 1.5,422 2.396,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.247,436 2,437 1,438 1.477,440 2.136,441 0.997,442 1.184,443 1,444 2.715,445 0.815,446 -0.175,447 -0.223,449 -0.441,450 -0.171,451 1.176,452 0.58,453 2.614,454 0.791,455 -0.202,456 -0.259,458 -0.5,459 -0.199,460 1,461 0.45,462 2,463 0.479,464 -0.54,465 -0.777,467 -1.226,468 -0.545,469 12.533,470 0.464,471 0.647,472 0.024,473 40.5,474 1.5,475 23.5,476 0.87,477 17,478 0.63,479 15.815,480 0.586,481 27.967,482 0.65,483 31.479,484 1.166,485 8.412,486 0.312,487 4.613,488 0.171,489 0.106,491 0.303,496 0.449,497 1.111,498 0.655,499 0.925,500 0.499,501 0.857,502 0.567,503 1.176,504 0.835,505 1.077,506 0.48,507 1.026,508 0.832,509 1.218,510 0.991,511 1.177,512 0.76,513 1.131,514 1.174,515 0.981,516 1.071,517 1.018,518 1.15,519 1.016,520 1.381,521 0.888,522 1.048,523 0.841,524 1.384,525 0.858,526 1.027,527 0.964,528 1.033,529 0.961,530 1.029,531 0.988,532 0.501,533 0.902,534 0.922,535 1,536 0.487,537 1.051,538 0.741,539 1.045,540 1.047,541 1.084,542 0.802,543 1.137,544 5.5,545 0.14,546 2.889,547 1.563,548 1.356,549 0.778,550 0.449,551 0.316,552 0.246,553 0.171,554 9403,555 31504,556 2.035,557 37.2,559 13,561 2,562 1,567 1.697,568 1.906,569 3.594,570 -0.309,571 1,572 1,575 70.136,576 1.631,577 3.143,578 3.995,579 4.74,580 4.961,581 4.961,582 3.106,583 4.31,584 4.724,585 3.753,586 1317.21,587 8.184,588 17578.5,590 1,592 1,593 233.329,594 1.399,595 4.685,596 0.19,597 0.007,598 0.074,599 0.04,600 0.04,601 0.024,602 0.014,603 0.011,604 0.01,605 0.008,606 0.418,607 0.33,608 1,609 0.76,610 136.318,611 0.136,612 0.01,613 0.041,614 0.036,615 -0.021,616 0.011,617 0.11,618 -0.1,619 -0.062,620 -0.113,621 0.122,622 -0.125,623 -0.037,624 -0.209,625 -0.085,626 -0.205,627 -0.011,628 -0.167,629 -0.11,630 -0.013,631 -0.042,632 -0.052,633 -0.082,634 -0.033,635 -0.237,636 0.06,637 -0.01,638 0.136,639 -0.193,640 0.126,641 -0.114,642 0.031,643 -0.095,644 0.016,645 -0.13,646 -0.023,647 0.353,648 0.071,649 0.04,650 -0.009,651 0.348,652 -0.051,653 0.044,654 -0.094,655 -0.052,656 -0.085,657 -0.048,658 -0.099,659 2.516,660 5.376,661 0.667,662 27.687,663 1.02,664 1.117,665 2.802,666 7.851,667 0.693,668 3.401,669 3.689,670 3.892,671 4.06,672 4.248,673 4.234,674 4.317,675 4.248,676 4.357,677 4.369,678 7.156,679 0.683,680 362.39,681 3.401,682 4.92,683 5.74,684 6.586,685 7.42,686 8.268,687 9.107,688 9.957,689 10.798,690 11.648,691 7,698 1,701 1,702 1,709 13,714 4,715 1,716 18,721 1,723 1,731 1,738 43,739 22,740 2,741 29,743 45,744 20,745 17,746 3,747 9,748 2,752 3,753 3,768 19,769 1,772 4,775 1,778 4,782 2,785 1,786 1,789 16,790 5,791 1,792 7,797 3,798 1,803 1,804 4,816 1,823 3,855 3,862 27,869 1,871 1,886 9.3,889 2,892 2,893 14.167,894 7.7,895 6,896 2.422,898 3.288,899 1.465,900 0.976,901 5.695,902 10.36,903 3.761,904 4.337,905 4.838,906 5.328,907 5.826,908 5.926,909 6.272,910 6.219,911 6.616,912 6.926,913 1,914 39,915 9.966,917 4.264,918 8.167,919 18.215,921 14.439,924 2.667,925 72,928 1,929 176.567,930 146.162,931 25.58,933 101.037,936 146.162,937 277.603,938 25.58,939 5.67,940 20.116,941 104.239,942 85.569,943 29.979,945 153.024,946 50.747,947 176.567,948 171.742,949 101.037,952 176.567,953 50.29,954 50.747,956 38.211,957 125.961,958 7.569,960 176.567,961 126.617,962 146.162,965 176.567,966 23.828,967 129.903,968 18.011,969 101.037,970 176.567,971 126.617,972 146.162,973 0.577,974 0.328,975 0.164,976 0.087,977 17,978 8,979 0.133,980 6,982 1,983 3.953,984 215.582,986 18,987 118.382,993 18.428,994 8.344,995 4.838,997 119.048,998 21.116,1003 1.392,1004 1.601,1005 18.011,1006 449.345,1007 42,1010 -0.516,1013 46.094,1017 -0.492,1020 43.858,1021 48.031,1022 0.301,1023 0.579,1024 0.736,1025 0.874,1026 0.914,1027 0.914,1028 4.959,1029 1.28,1030 5.707,1031 3.424,1032 4.369,1033 5.024,1034 2.904,1035 6.45,1036 4.342,1037 6.165,1038 1,1039 7.231,1040 2.873,1041 3.892,1042 4.758,1043 2.361,1044 7.213,1045 3.856,1046 7.458,1047 1,1048 8.851,1049 2.531,1050 5.905,1051 7.176,1052 4.297,1053 10.245,1054 5.845,1055 8.783,1056 1,1057 10.527,1058 2.396,1059 6.217,1060 7.682,1061 4.506,1062 11.79,1063 6.157,1064 10.135,1065 1,1066 12.237,1067 2.275,1068 7.7,1069 9.578,1070 5.99,1071 14.308,1072 7.618,1073 11.506,1074 -0.175,1075 13.969,1076 2.136,1077 8.376,1078 10.449,1079 6.556,1080 16.178,1081 8.299,1082 12.891,1083 -0.202,1084 15.717,1085 -0.441,1086 9.625,1087 12.105,1088 7.806,1089 18.496,1090 9.53,1091 2.922,1092 -0.54,1093 17.476,1094 -0.5,1095 10.481,1096 13.172,1097 8.548,1098 20.516,1099 10.391,1100 2.837,1101 8.966,1102 19.242,1103 -1.226,1104 11.62,1105 14.7,1106 9.673,1107 22.75,1108 11.517,1109 2.632,1110 8.684,1111 21.014,1112 3.983,1113 12.569,1114 15.88,1115 10.509,1116 24.844,1117 12.468,1118 2.472,1119 8.017,1120 22.79,1121 3.821,1122 13.657,1123 17.338,1124 11.564,1125 27.041,1126 13.548,1127 2.189,1128 7.092,1129 24.569,1130 3.504,1131 14.654,1132 18.586,1133 12.452,1134 29.173,1135 14.545,1136 1.589,1137 6.408,1138 26.352,1139 3.434,1140 15.72,1141 20.003,1142 13.468,1143 31.355,1144 15.605,1145 1.467,1146 3.87,1147 28.137,1148 2.929,1149 16.742,1150 21.294,1151 14.386,1152 33.507,1153 16.627,1154 9152,1155 16912,1156 19.186,1157 29.784,1158 43.415,1159 45.745,1160 43.845,1161 42.798,1162 42.775,1163 60.127,1164 10.101,1165 117.342,1166 42.271,1167 5.154,1168 5.779,1169 5.92,1170 4.951,1171 4.922,1172 6.983,1173 4.612,1174 15.319,1175 4.907,1176 13.605,1177 1.497,1178 1.577,1179 1.512,1180 1.476,1181 1.475,1182 2.073,1183 0.348,1184 4.046,1185 1.458,1186 4.04,1187 4.073,1188 3.995,1189 3.918,1190 7.815,1191 3.929,1192 3.947,1193 3.978,1194 3.903,1195 3.837,1196 7.43,1197 3.842,1198 3.87,1199 3.908,1200 3.801,1201 3.777,1202 7.425,1203 3.779,1204 3.577,1205 3.59,1206 3.553,1207 3.295,1208 6.999,1209 3.341,1210 3.357,1211 3.394,1212 3.302,1213 3.07,1214 4.79,1215 3.12,1216 3.198,1217 3.239,1218 3.111,1219 2.902,1220 4.73,1221 2.961,1222 2.854,1223 2.925,1224 2.725,1225 2.735,1226 4.651,1227 2.715,1228 2.854,1229 2.925,1230 2.707,1231 2.735,1232 3.938,1233 2.715,1234 0.148,1235 0.13,1236 0.211,1237 0.135,1238 0.101,1239 4.305,1240 0.137,1241 3.779,1242 0.09,1243 6.118,1244 0.309,1245 3.915,1246 0.1,1247 2.922,1248 3.983,1249 2.612,1250 8.966,1251 2.907,1252 1.959,1253 1.931,1254 2.056,1255 2.112,1256 1.171,1257 2.091,1258 1.904,1259 1.875,1260 2.014,1261 2.054,1262 1.076,1263 2.027,1264 1.854,1265 1.82,1266 1.97,1267 1.97,1268 1.045,1269 1.976,1270 1.404,1271 1.379,1272 1.551,1273 1.718,1274 0.704,1275 1.64,1276 1.193,1277 1.158,1278 1.334,1279 1.517,1280 0.328,1281 1.464,1282 1.069,1283 1.024,1284 1.207,1285 1.373,1286 0.218,1287 1.357,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.175,1299 1.107,1300 4.078,1302 5.371,1304 6.853,1306 8.412,1308 10.008,1315 0.018,1317 2.786,1326 29.348,1327 70.136,1328 135.17,1329 171.766,1330 203.82,1331 213.329,1332 213.329,1333 62.486,1334 7.072,1335 95.87,1336 95.87,1337 18,1338 12.208,1339 4.524,1340 3.807,1341 47.183,1342 115,1343 108,1344 0.197,1345 183.14,1346 322.58,1347 438.621,1348 11495,1350 19.225,1351 0.712,1352 0.529,1353 19.225,1354 14.293,1355 13.025,1356 0.449,1357 0.285,1358 8.138,1359 12.479,1360 8.006,1361 6.661,1362 13.025,1363 8.258,1364 11.642,1365 0.299,1366 0.152,1367 11.642,1368 5.924,1369 9.327,1370 0.194,1371 0.083,1372 9.327,1373 3.986,1374 7.303,1375 0.128,1376 0.046,1377 7.303,1378 2.604,1379 5.633,1380 0.082,1381 0.025,1382 5.633,1383 1.719,1384 0.316,1385 82.223,1386 0.228,1387 26.422,1388 0.519,1389 136,1390 473.253,1391 150.63,1392 455.443,1393 596.91,1394 418,1395 155,1396 427.145,1397 169.69,1398 427.239,1399 610.04,1400 400,1401 4.189}
{0 CHEMBL1467146,1 1.492,2 7.88,3 3.817,4 14.567,5 94.981,6 6.663,7 0.222,8 4.016,9 4.148,10 3.482,11 3.534,12 5.006,13 3.488,14 4.639,15 4.841,16 3.869,17 3.957,18 5.577,19 3.885,20 5.016,21 5.255,22 4.08,23 4.205,24 5.973,25 4.12,26 5.14,27 5.381,28 4.107,29 4.253,30 6.18,31 4.156,32 5.163,33 5.407,34 4.14,35 4.208,36 6.419,37 4.132,38 5.069,39 5.294,40 3.999,41 4.145,42 6.304,43 4.062,44 4.985,45 5.231,46 3.669,47 4.05,48 6.043,49 3.909,50 4.868,51 5.157,52 3.31,53 3.913,54 5.689,55 3.699,56 0.01,57 0.803,58 12.009,59 5.212,60 5.708,61 7.172,62 0.208,63 1.34,64 23.527,65 8.585,66 22.837,67 12.491,68 0.452,69 1.793,70 35.477,71 11.953,72 56.276,73 17.25,74 0.434,75 1.938,76 40.536,77 13.632,78 73.061,79 19.37,80 0.843,81 1.857,82 42.619,83 12.854,84 157.044,85 18.421,86 0.706,87 1.772,88 38.777,89 11.972,90 135.959,91 16.525,92 0.565,93 1.694,94 35.636,95 12.025,96 105.329,97 16.119,98 0.355,99 1.406,100 30.82,101 11.25,102 64.109,103 15.89,104 27,105 38,106 0.254,107 0.493,108 0.686,109 0.774,110 0.807,111 0.807,112 3.269,113 1.041,114 -4.43,115 -4.36,116 -4.11,120 38.5,121 2,122 6,126 1,128 3,143 4,144 1,145 1,159 2,174 9,176 2,177 5,185 10,188 3,189 5,197 7,201 11,209 2,213 1,214 16,222 4,227 10,235 8,240 5,247 14,260 12,271 10,274 867,275 16.656,276 16.656,277 16.656,278 16.656,279 16.656,280 15.641,281 17.734,282 9.871,283 16.866,284 13.297,285 13.297,286 13.297,287 13.297,288 13.297,289 11.725,290 23.328,291 4.639,292 13.655,293 4.208,294 2.799,295 1.664,296 1.144,297 0.952,298 0.952,299 3.945,305 1,306 1,307 1,308 414,309 2.646,313 152.978,314 89.063,320 1.184,321 37.155,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 54.5,333 197,334 4.5,335 4.081,336 7.104,337 4.311,338 3.348,339 3.914,340 2.145,341 12.267,342 3.22,343 4.054,344 3.573,345 6.35,346 3.768,347 2.814,348 3.388,349 1.938,350 9.567,351 2.683,352 3.811,353 3.225,354 6.137,355 3.63,356 2.668,357 2.91,358 0.949,359 8.689,360 2.559,361 3.387,362 2.811,363 5.391,364 3.142,365 2.141,366 2.488,367 0.416,368 6.339,369 2.132,370 3.08,371 2.531,372 4.841,373 2.916,374 1.913,375 2.104,376 0.18,377 5.16,378 1.905,379 2.882,380 2.061,381 4.505,382 2.665,383 1.675,384 2.026,386 4.083,387 1.653,388 2.835,389 1.82,390 4.012,391 2.42,392 1.416,393 1.916,395 3.333,396 1.418,397 2.633,398 1.571,399 3.698,400 2.377,401 1.414,402 1.626,404 3.025,405 1.345,406 2.247,407 1.331,408 3.592,409 2.247,410 1.247,411 1.247,413 2.7,414 1.247,415 2.188,416 1.247,417 3.414,418 2.022,419 1.048,420 1.164,422 2.606,423 1.018,424 1.797,425 1.133,426 3.235,427 1.389,428 0.345,429 0.441,431 0.842,432 0.353,433 1.19,434 0.658,435 2.99,436 0.922,437 -0.027,438 -0.03,440 -0.065,441 -0.025,442 0.874,443 0.387,444 2.423,445 0.754,446 -0.245,447 -0.265,449 -0.545,450 -0.241,451 0.791,452 0.1,453 2.253,454 0.555,455 -0.445,456 -0.445,458 -1,459 -0.445,460 0.557,461 -0.29,462 2,463 0.405,464 -0.537,465 -0.622,467 -1.367,468 -0.494,469 11.752,470 0.47,471 0.669,472 0.027,473 24.75,474 0.99,475 9,476 0.36,477 15.75,478 0.63,479 28.002,480 1.12,481 29.048,482 0.559,483 18.788,484 0.752,485 4.316,486 0.173,487 7.687,488 0.307,489 0.166,491 0.366,494 1,496 0.558,497 1.32,498 0.852,499 1.265,500 0.488,501 1.14,502 0.581,503 1.181,504 0.881,505 1.136,506 0.484,507 1.071,508 0.865,509 0.94,510 0.903,511 0.926,512 0.802,513 0.913,514 1.044,515 1.088,516 0.967,517 1.101,518 1.073,519 1.033,520 1.219,521 0.888,522 0.942,523 0.876,524 1.287,525 0.861,526 1.56,527 1.027,528 1.21,529 0.988,530 1.602,531 1.026,532 1.663,533 1.178,534 1.382,535 1.099,536 1.703,537 1.176,538 0.892,539 1.013,540 1.134,541 1.096,542 0.882,543 1.154,544 4,545 0.005,546 2.889,547 2.438,548 2.173,549 1.361,550 0.758,551 0.352,552 0.133,553 0.095,554 5752,555 13213,556 2.015,557 51.9,558 8,559 9,564 10,567 1.691,568 1.852,569 2.961,570 -0.79,572 1,575 77.602,576 1.492,577 2.901,578 4.036,579 4.556,580 4.748,581 4.748,582 2.419,583 3.924,584 4.616,585 3.103,586 930.95,587 8.043,588 10825.9,590 1,592 1,593 296.423,594 1.516,595 4.555,596 0.148,597 0.002,598 0.076,599 0.053,600 0.048,601 0.03,602 0.019,603 0.013,604 0.007,605 0.008,606 0.405,607 0.5,608 1,609 0.836,610 116.493,611 0.003,612 -0.16,613 0.051,614 -0.059,616 -0.009,617 0.094,618 -0.132,619 0.054,620 -0.073,621 0.051,622 -0.031,623 0.025,624 0.059,625 0.07,626 0.062,627 -0.004,628 0.074,629 -0.007,630 -0.096,631 0.022,632 -0.105,633 -0.011,634 -0.048,635 0.075,636 0.033,637 0.092,638 0.062,639 0.107,640 0.078,641 -0.132,642 -0.019,643 -0.158,644 -0.029,645 -0.056,646 -0.085,647 -0.261,648 0.017,649 -0.339,650 -0.095,651 -0.235,652 -0.207,653 -0.085,654 -0.038,655 -0.189,656 -0.103,657 -0.09,658 -0.155,659 2.189,660 6.437,661 0.76,662 17.853,663 0.997,664 1.138,665 3.199,666 10.232,667 0.63,668 3.332,669 3.664,670 3.97,671 4.277,672 4.522,673 4.605,674 4.644,675 4.691,676 4.673,677 4.595,678 5.005,679 0.59,680 346.49,681 3.332,682 4.875,683 5.74,684 6.637,685 7.529,686 8.436,687 9.339,688 10.251,689 11.16,690 12.075,691 3.8,698 2,709 4,714 2,716 6,737 1,738 52,739 8,740 1,741 27,743 54,744 20,745 6,746 2,747 4,752 3,753 3,759 2,763 8,766 9,768 8,769 12,772 2,778 2,782 2,786 1,787 1,789 27,790 5,792 5,797 2,803 1,804 2,823 2,824 1,839 2,855 3,859 2,861 1,862 25,869 7,874 3,875 2,885 1,886 3.8,889 2,893 13.5,894 9.71,895 5.556,896 3.623,898 1.081,899 1.154,900 0.934,901 5.658,902 8.079,903 3.497,904 3.961,905 4.404,906 4.867,907 5.3,908 5.335,909 5.509,910 5.74,911 5.832,912 5.772,913 1,914 46,915 9.481,917 4.19,918 7.867,919 18.178,921 15.511,924 2.367,925 59.167,927 1,928 1,929 317.82,930 94.584,931 6.249,933 50.29,934 14.96,936 94.584,937 368.11,938 21.209,939 17.65,940 23.562,941 37.905,942 59.699,943 12.307,944 14.96,945 317.82,947 317.82,948 100.833,949 65.25,952 215.069,953 168.001,956 41.212,957 59.621,960 332.78,961 56.538,962 94.584,965 317.82,966 39.029,967 61.804,969 65.25,970 317.82,971 71.499,972 94.584,973 0.581,974 0.351,975 0.204,976 0.117,977 18,978 9,979 0.056,980 3,982 1,983 3.433,984 216.668,986 19,987 108.096,993 18.227,994 7.761,995 3.681,997 71.499,998 6.309,1003 -0.13,1006 483.903,1007 32,1013 26.14,1017 -0.225,1020 51.858,1021 59.153,1022 0.262,1023 0.509,1024 0.708,1025 0.799,1026 0.833,1027 0.833,1028 4.766,1029 1.414,1030 5.74,1031 3.333,1032 4.344,1033 4.644,1034 2.829,1035 6.608,1036 4.288,1037 5.925,1038 1.247,1039 7.336,1040 3.025,1041 4.007,1042 4.407,1043 2.371,1044 7.667,1045 3.894,1046 7.216,1047 1.048,1048 9.043,1049 2.7,1050 5.974,1051 6.607,1052 3.887,1053 10.842,1054 5.841,1055 8.537,1056 0.345,1057 10.817,1058 2.606,1059 6.479,1060 7.179,1061 4.057,1062 12.757,1063 6.279,1064 9.897,1065 -0.027,1066 12.632,1067 0.842,1068 7.936,1069 8.905,1070 5.176,1071 15.468,1072 7.714,1073 11.282,1074 -0.245,1075 14.476,1076 -0.065,1077 8.825,1078 9.849,1079 5.623,1080 17.722,1081 8.543,1082 12.687,1083 -0.445,1084 16.341,1085 -0.545,1086 10.095,1087 11.389,1088 6.559,1089 20.284,1090 9.784,1091 3.348,1092 -0.537,1093 18.221,1094 -1,1095 11.155,1096 12.513,1097 7.144,1098 22.68,1099 10.793,1100 2.814,1101 12.267,1102 20.113,1103 -1.367,1104 12.363,1105 13.97,1106 7.987,1107 25.195,1108 11.967,1109 2.668,1110 9.567,1111 22.015,1112 3.914,1113 13.496,1114 15.188,1115 8.647,1116 27.651,1117 13.056,1118 2.141,1119 8.689,1120 23.924,1121 3.388,1122 14.687,1123 16.602,1124 9.443,1125 30.154,1126 14.21,1127 1.913,1128 6.339,1129 25.84,1130 2.91,1131 15.854,1132 17.876,1133 10.143,1134 32.636,1135 15.336,1136 1.675,1137 5.16,1138 27.761,1139 2.488,1140 17.044,1141 19.266,1142 10.915,1143 35.137,1144 16.489,1145 1.416,1146 4.083,1147 29.686,1148 2.104,1149 18.228,1150 20.573,1151 11.638,1152 37.632,1153 17.633,1154 5731,1155 8831,1156 17.512,1157 32.756,1158 40.76,1159 42.528,1160 42.981,1161 40.181,1162 40.059,1163 46.45,1164 11.257,1165 117.221,1166 39.067,1167 5.5,1168 6.081,1169 6.897,1170 5.38,1171 5.348,1172 6.914,1173 3.697,1174 19.898,1175 5.22,1176 13.332,1177 1.51,1178 1.575,1179 1.592,1180 1.488,1181 1.484,1182 1.72,1183 0.417,1184 4.342,1185 1.447,1186 4.018,1187 4.057,1188 3.964,1189 3.9,1190 8.201,1191 3.908,1192 3.858,1193 3.906,1194 3.757,1195 3.751,1196 7.434,1197 3.742,1198 3.73,1199 3.781,1200 3.622,1201 3.567,1202 7.42,1203 3.576,1204 3.511,1205 3.582,1206 3.354,1207 3.332,1208 4.647,1209 3.328,1210 3.278,1211 3.364,1212 3.105,1213 3.125,1214 4.311,1215 3.097,1216 3.232,1217 3.304,1218 3.057,1219 3.073,1220 4.222,1221 3.056,1222 3.168,1223 3.184,1224 3.047,1225 2.979,1226 3.909,1227 2.996,1228 2.901,1229 3.009,1230 2.83,1231 2.733,1232 3.687,1233 2.735,1234 0.167,1235 0.151,1236 0.263,1237 0.16,1238 0.124,1239 4.5,1240 0.145,1241 4.081,1242 0.079,1243 7.104,1244 0.454,1245 4.311,1246 0.119,1247 3.348,1248 3.914,1249 2.145,1250 12.267,1251 3.22,1252 1.938,1253 1.91,1254 2.045,1255 2.083,1256 1.37,1257 2.069,1258 1.772,1259 1.723,1260 1.975,1261 1.923,1262 1.336,1263 1.934,1264 1.712,1265 1.647,1266 1.957,1267 1.873,1268 1.223,1269 1.912,1270 1.657,1271 1.593,1272 1.903,1273 1.84,1274 1.056,1275 1.864,1276 1.424,1277 1.364,1278 1.656,1279 1.64,1280 0.857,1281 1.655,1282 1.103,1283 1.07,1284 1.417,1285 1.314,1286 0.566,1287 1.308,1288 0.934,1289 0.805,1290 1.327,1291 1.239,1292 0.528,1293 1.308,1294 0.861,1295 0.804,1296 1.253,1297 1.135,1298 0.469,1299 1.153,1300 4.007,1302 5.333,1304 6.862,1305 2.708,1306 8.499,1307 4.977,1308 10.2,1310 3.751,1312 14.437,1315 6.52,1320 -0.912,1321 3.275,1326 30.704,1327 77.602,1328 150.871,1329 209.894,1330 236.913,1331 246.913,1332 246.913,1333 71.374,1334 6.999,1335 40.62,1336 40.62,1337 19,1338 12.588,1339 3.17,1340 2.585,1341 41.213,1342 73,1343 71,1344 0.28,1345 188.579,1346 339.03,1347 451.894,1348 8597,1349 1.9,1350 17.974,1351 0.719,1352 0.603,1353 17.104,1354 15.08,1355 12.003,1356 0.445,1357 0.347,1358 9.26,1359 11.574,1360 9.02,1361 7.485,1362 11.592,1363 9.365,1364 10.812,1365 0.285,1366 0.196,1367 10.284,1368 7.43,1369 8.975,1370 0.173,1371 0.104,1372 8.497,1373 5.41,1374 7.871,1375 0.111,1376 0.059,1377 7.541,1378 4.17,1379 6.459,1380 0.071,1381 0.033,1382 6.166,1383 3.009,1384 0.415,1385 75.076,1386 0.239,1387 23.397,1388 0.854,1389 130,1390 396.872,1391 144.088,1392 353.017,1393 466.92,1394 328,1395 155,1396 331.296,1397 169.638,1398 325.997,1399 483.79,1400 308,1401 4.11}
{0 CHEMBL1467184,1 1.597,2 7.895,3 2.186,4 4.779,5 70.135,6 7.568,7 0.524,8 3.645,9 3.759,10 3.232,11 3.173,12 4.761,13 3.163,14 4.176,15 4.343,16 3.55,17 3.554,18 5.228,19 3.514,20 4.464,21 4.685,22 3.617,23 3.676,24 5.475,25 3.608,26 4.481,27 4.712,28 3.485,29 3.533,30 5.553,31 3.462,32 4.209,33 4.437,34 3.252,35 3.236,36 5.384,37 3.207,38 3.923,39 4.103,40 3.181,41 3.088,42 5.201,43 3.095,44 3.895,45 4.091,46 2.946,47 3.077,48 4.99,49 3.013,50 3.785,51 4.025,52 2.701,53 3.032,54 4.598,55 2.896,56 0.077,57 0.51,58 6.786,59 3.039,60 6.642,61 3.944,62 0.125,63 0.812,64 12.785,65 5.181,66 13.973,67 7.037,68 0.302,69 0.979,70 19.289,71 6.922,72 32.345,73 9.583,74 0.429,75 0.924,76 20.52,77 6.267,78 40.291,79 8.873,80 0.394,81 0.685,82 16.202,83 4.309,84 46.131,85 5.871,86 0.245,87 0.567,88 11.051,89 3.068,90 33.859,91 3.94,92 0.278,93 0.53,94 11.034,95 3.441,96 31.709,97 4.514,98 0.102,99 0.491,100 9.639,101 3.727,102 12.36,103 5.3,104 2,105 28,106 0.295,107 0.658,108 0.78,109 0.864,110 0.886,111 0.886,112 3.011,113 0.933,114 -2.67,115 -2.69,116 -2.62,120 41.2,122 5,143 2,144 1,145 1,146 2,147 1,153 1,159 1,167 1,174 6,177 4,180 1,182 1,185 5,188 1,189 6,192 2,194 2,197 5,200 1,201 6,204 1,206 1,213 1,214 5,219 2,222 1,226 1,227 5,232 2,235 2,239 1,240 2,247 3,252 2,260 4,264 2,271 2,274 412,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 11.725,281 13.228,282 8.081,283 13.319,284 10.399,285 10.399,286 10.399,287 10.399,288 10.399,289 8.163,290 13.496,291 3.865,292 10.587,293 3.49,294 1.529,295 0.868,296 0.412,297 0.294,298 0.294,299 3.695,305 1,306 1,307 1,308 327,309 2.449,312 35.355,313 57.589,314 51.586,317 74.872,320 1.186,321 18.359,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 41.5,333 150,334 4.485,335 3.628,336 6.681,337 4.127,338 3.136,339 4.155,340 1.058,341 10.763,342 3.107,343 3.937,344 3.067,345 5.689,346 3.559,347 2.585,348 3.465,350 7.648,351 2.515,352 3.59,353 2.533,354 5.281,355 3.224,356 2.226,357 2.876,359 6.569,360 2.213,361 2.927,362 2.005,363 4.455,364 2.659,365 1.661,366 2.085,368 4.204,369 1.658,370 2.798,371 1.74,372 3.953,373 2.579,374 1.591,375 1.853,377 3.519,378 1.571,379 2.716,380 1.519,381 3.684,382 2.366,383 1.396,384 1.717,386 3.077,387 1.35,388 2.5,389 1.341,390 3.523,391 2.049,392 1.066,393 1.5,395 2.602,396 1.042,397 2.459,398 1,399 3.247,400 1.956,401 1,402 1.432,404 2.136,405 0.953,406 1.927,407 0.797,408 3.184,409 1.691,410 0.69,411 0.824,413 1.615,414 0.689,415 1.177,416 0.441,417 2.602,418 0.788,419 -0.189,420 -0.233,422 -0.458,423 -0.183,424 0.836,425 -0.145,426 2.361,427 0.725,428 -0.273,429 -0.296,431 -0.622,432 -0.272,433 0.688,434 -0.192,435 2,436 0.514,437 -0.502,438 -0.585,440 -1.2,441 -0.505,442 0.5,443 -0.622,444 1.94,445 -0.001,446 -1,447 -1.402,449 -2.256,450 -0.965,451 0.47,452 -1,453 1.64,454 -0.03,455 -1,456 -1.5,458 -2.347,459 -0.992,460 0.058,461 -1.165,462 1.555,463 -0.289,464 -1.295,465 -1.643,467 -3.324,468 -1.311,469 8.867,470 0.467,471 0.329,472 0.017,473 24.5,474 1.289,475 12,476 0.632,477 12.5,478 0.658,479 13.615,480 0.717,481 20.533,482 0.604,483 14.738,484 0.776,485 4.587,486 0.241,487 4.757,488 0.25,489 0.038,491 0.282,496 0.627,497 1.239,498 0.74,499 1.077,500 0.49,501 0.952,502 0.656,503 1.306,504 0.843,505 1.202,506 0.536,507 1.08,508 0.793,509 0.953,510 0.843,511 0.991,512 0.741,513 0.943,514 1.106,515 1.089,516 1.041,517 1.077,518 0.941,519 1.049,520 1.794,521 0.842,522 1.1,523 0.719,524 1.925,525 0.775,526 1.903,527 0.972,528 1.215,529 0.892,530 2.535,531 0.909,532 1.63,533 0.884,534 1.324,535 0.9,536 1.85,537 1.041,538 0.575,539 1.024,540 1.041,541 1.149,542 0.353,543 1.176,544 2.5,545 0.005,546 1.778,547 1.257,548 0.846,549 0.316,550 0.263,551 0.088,552 0.034,553 0.021,554 3345,555 8585,556 2.145,557 44.1,558 8,559 2,561 2,562 1,563 2,567 1.603,568 2.073,569 3.008,570 -0.249,572 1,573 1,574 1,575 54.313,576 1.597,577 3.559,578 4.22,579 4.676,580 4.793,581 4.793,582 2.465,583 3.682,584 4.222,585 3.111,586 532.049,587 7.189,588 5168.81,589 1,590 1,592 1,593 172.974,594 1.105,595 4.207,596 0.119,597 0.002,598 0.063,599 0.043,600 0.037,601 0.017,602 0.015,603 0.006,604 0.003,605 0.003,606 0.309,607 0.67,608 1,609 0.447,610 81.864,611 0.099,612 -0.052,613 0.063,614 -0.009,615 0.068,616 0.013,617 0.073,618 -0.222,619 0.02,620 -0.169,621 0.086,622 -0.1,623 0.093,624 0.019,625 0.112,626 0.002,627 0.083,628 0.046,629 0.064,630 -0.153,631 -0.027,632 -0.142,633 0.088,634 -0.104,635 -0.253,636 0.088,637 -0.03,638 0.176,639 -0.162,640 0.124,641 -0.348,642 0.095,643 -0.208,644 -0.003,645 -0.348,646 -0.061,647 -0.28,648 0.106,649 -0.334,650 0.047,651 -0.337,652 -0.127,653 -0.023,654 -0.069,655 -0.128,656 -0.122,657 -0.031,658 -0.14,659 1.889,660 5.198,661 0.842,662 12.194,663 1.008,664 1.13,665 1.444,666 2.086,667 0.662,668 3.091,669 3.367,670 3.638,671 3.892,672 4.025,673 4.078,674 4.06,675 4.143,676 4.159,677 3.989,678 4.813,679 0.637,680 257.32,681 3.091,682 4.595,683 5.434,684 6.293,685 7.151,686 8.02,687 8.886,688 9.76,689 10.63,690 11.507,691 8.8,698 1,701 2,709 4,710 2,712 1,714 4,716 11,723 1,738 34,739 12,741 21,743 36,744 14,745 8,748 1,752 3,753 4,763 5,766 5,768 9,769 5,772 1,778 1,782 1,786 1,789 15,790 5,791 1,792 5,796 1,797 3,803 0.667,804 2,816 1,822 1,823 1,824 1,827 1,855 2,862 19,869 5,871 1,886 5.9,889 1,891 1,893 9.167,894 6.067,895 4.25,896 2.251,898 1.976,899 1.302,900 0.986,901 3.493,902 8.524,903 3.35,904 3.887,905 4.432,906 4.962,907 5.278,908 5.363,909 5.51,910 5.808,911 6.006,912 6.136,913 1,914 29,915 7.026,917 2.986,918 7.754,919 13.484,921 11.086,924 2.254,925 42.833,926 0.001,929 164.795,930 68.573,931 54.393,933 34.879,936 68.573,937 199.674,938 54.393,940 30.683,941 18.952,942 89.774,943 36.528,944 5.449,945 141.253,947 164.795,948 122.965,949 34.879,952 164.795,953 34.879,956 51.535,957 35.048,958 36.382,960 164.795,961 89.272,962 68.573,965 164.795,966 31.525,967 37.047,968 18.011,969 71.261,970 164.795,971 89.272,972 68.573,973 0.566,974 0.332,975 0.188,976 0.098,977 14,978 5,979 0.056,980 2,981 1,982 1.125,983 3.217,984 139.071,985 0.125,986 16,987 80.711,993 12.215,994 5.433,995 2.624,997 89.272,998 6.844,999 7.891,1001 5.299,1003 2.923,1005 18.011,1006 322.64,1007 27.5,1013 12.198,1017 -0.222,1020 34.262,1021 38.405,1022 0.314,1023 0.7,1024 0.829,1025 0.919,1026 0.942,1027 0.942,1028 4.551,1029 1,1030 5.38,1031 2.602,1032 4.043,1033 4.57,1034 1.176,1035 6.155,1036 4.011,1037 5.717,1038 0.69,1039 6.907,1040 2.136,1041 3.434,1042 4.205,1044 7.002,1045 3.41,1046 6.998,1047 -0.189,1048 8.543,1049 1.615,1050 5.58,1051 6.689,1052 1.255,1053 10.14,1054 5.519,1055 8.321,1056 -0.273,1057 10.25,1058 -0.458,1059 5.889,1060 7.247,1062 11.914,1063 5.836,1064 9.683,1065 -0.502,1066 12.004,1067 -0.622,1068 7.432,1069 9.132,1070 1.338,1071 14.54,1072 7.349,1073 11.073,1074 -1,1075 13.791,1076 -1.2,1077 8.185,1078 10.122,1080 16.674,1081 8.106,1082 12.485,1083 -1,1084 15.603,1085 -2.256,1086 9.476,1087 11.752,1088 1.422,1089 19.136,1090 9.376,1091 3.136,1092 -1.295,1093 17.431,1094 -2.347,1095 10.437,1096 12.952,1098 21.412,1099 10.338,1100 2.585,1101 10.763,1102 19.274,1103 -3.324,1104 11.628,1105 14.467,1106 1.51,1107 23.819,1108 11.513,1109 2.226,1110 7.648,1111 21.126,1112 4.155,1113 12.684,1114 15.772,1116 26.153,1117 12.567,1118 1.661,1119 6.569,1120 22.987,1121 3.465,1122 13.837,1123 17.235,1124 1.599,1125 28.54,1126 13.708,1127 1.591,1128 4.204,1129 24.855,1130 2.876,1131 14.938,1132 18.595,1134 30.898,1135 14.803,1136 1.396,1137 3.519,1138 26.728,1139 2.085,1140 16.078,1141 20.034,1142 1.69,1143 33.278,1144 15.934,1145 1.066,1146 3.077,1147 28.605,1148 1.853,1149 17.199,1150 21.422,1152 35.646,1153 17.048,1154 3219,1155 5292,1156 14.504,1157 22.495,1158 31.105,1159 31.799,1160 31.394,1161 30.679,1162 30.699,1163 39.812,1164 2.117,1165 84.266,1166 30.193,1167 5.389,1168 5.628,1169 6.483,1170 5.165,1171 5.136,1172 7.155,1173 2.117,1174 17.861,1175 5.091,1176 4.84,1177 1.481,1178 1.514,1179 1.495,1180 1.461,1181 1.462,1182 1.896,1183 0.101,1184 4.013,1185 1.438,1186 4.009,1187 4.035,1188 3.966,1189 3.865,1190 7.429,1191 3.881,1192 3.85,1193 3.895,1194 3.787,1195 3.729,1196 5.175,1197 3.737,1198 3.557,1199 3.607,1200 3.435,1201 3.382,1202 4.905,1203 3.389,1204 3.275,1205 3.34,1206 3.166,1207 3.097,1208 4.121,1209 3.082,1210 3.181,1211 3.238,1212 3.015,1213 2.936,1214 3.995,1215 2.965,1216 2.798,1217 2.865,1218 2.666,1219 2.642,1220 3.779,1221 2.642,1222 2.719,1223 2.802,1224 2.6,1225 2.493,1226 3.69,1227 2.508,1228 2.597,1229 2.667,1230 2.417,1231 2.224,1232 3.373,1233 2.264,1234 0.214,1235 0.173,1236 0.318,1237 0.197,1238 0.149,1239 4.485,1240 0.198,1241 3.628,1242 0.05,1243 6.681,1244 0.513,1245 4.127,1246 0.148,1247 3.136,1248 4.155,1249 1.058,1250 10.763,1251 3.107,1252 1.829,1253 1.79,1254 1.968,1255 1.981,1256 1.324,1257 1.971,1258 1.716,1259 1.671,1260 1.937,1261 1.874,1262 1.166,1263 1.907,1264 1.68,1265 1.636,1266 1.841,1267 1.807,1268 0.945,1269 1.817,1270 1.308,1271 1.277,1272 1.421,1273 1.609,1274 0.503,1275 1.546,1276 0.911,1277 0.852,1278 1.185,1279 1.242,1280 0.376,1281 1.192,1282 0.765,1283 0.703,1284 1.094,1285 1.017,1286 0.232,1287 1.041,1288 0.702,1289 0.617,1290 1,1291 0.968,1292 0.037,1293 0.989,1294 0.629,1295 0.54,1296 0.943,1297 0.943,1299 0.971,1300 3.761,1302 5.043,1303 2.398,1304 6.512,1305 4.844,1306 8.067,1307 6.986,1308 9.671,1315 5.109,1317 2.791,1326 21.655,1327 54.313,1328 121,1329 143.464,1330 158.974,1331 162.974,1332 162.974,1333 27.403,1334 6.548,1335 68.02,1336 68.02,1337 18,1338 12.047,1339 3.7,1340 2.907,1341 27.794,1342 54,1343 52,1344 0.255,1345 133.694,1346 226.62,1347 317.973,1348 5526,1350 13.079,1351 0.688,1352 0.556,1353 13.079,1354 10.556,1355 9.343,1356 0.445,1357 0.311,1358 6.445,1359 8.952,1360 6.353,1361 5.265,1362 9.343,1363 6.532,1364 8.02,1365 0.286,1366 0.167,1367 8.02,1368 4.689,1369 6.799,1370 0.184,1371 0.09,1372 6.799,1373 3.335,1374 5.786,1375 0.121,1376 0.049,1377 5.786,1378 2.367,1379 4.404,1380 0.08,1381 0.029,1382 4.404,1383 1.591,1384 0.389,1385 58.908,1386 0.263,1387 18.925,1388 0.727,1389 98,1390 307.094,1391 108.92,1392 293.01,1393 400.36,1394 274,1395 114,1396 302.026,1397 125.919,1398 299.311,1399 433.32,1400 282,1401 6.541}
{0 CHEMBL1468055,1 1.94,2 7.389,3 3.453,4 11.924,5 75.689,6 12.392,7 0.8,8 3.419,9 3.49,10 3.478,11 3.133,12 4.645,13 3.083,14 3.858,15 3.969,16 3.932,17 3.504,18 5.051,19 3.43,20 3.942,21 4.057,22 3.951,23 3.576,24 5.083,25 3.442,26 3.896,27 4.014,28 3.758,29 3.393,30 5.042,31 3.264,32 3.677,33 3.847,34 3.633,35 3.195,36 4.758,37 3.079,38 3.633,39 3.774,40 3.287,41 3.123,42 4.768,43 3.063,44 3.742,45 3.946,46 3.393,47 3.013,48 4.815,49 2.916,50 3.453,51 3.704,52 3.298,53 2.694,54 4.376,55 2.501,56 0.09,57 0.367,58 0.606,59 1.916,60 4.855,61 1.943,62 0.176,63 0.607,64 4.129,65 3.565,66 10.892,67 3.464,68 0.179,69 0.658,70 17.032,71 5.199,72 11.382,73 4.397,74 0.29,75 0.644,76 19.945,77 5.57,78 15.023,79 4.152,80 0.17,81 0.535,82 17.032,83 4.02,84 12.126,85 2.785,86 0.091,87 0.444,88 0.997,89 2.445,90 6.326,91 2.77,92 0.208,93 0.495,94 7.031,95 3.629,96 15.123,97 3.645,98 0.186,99 0.359,100 9.093,101 3.475,102 14.263,103 3.523,104 5,105 28,106 0.375,107 0.713,108 0.785,109 0.814,110 0.814,111 0.814,112 2.961,113 1.028,114 -4.74,115 -4.65,116 -4.37,118 1,120 46.2,121 1,143 4,144 1,145 2,147 1,148 1,149 1,162 1,167 1,174 2,176 2,177 6,185 8,188 1,189 1,197 6,200 2,201 7,209 3,214 2,222 3,227 6,235 2,240 7,247 3,264 3,271 1,274 352,275 12.223,276 12.223,277 12.223,278 12.223,279 12.223,280 10.245,281 7.563,282 7.183,283 12.739,284 9.871,285 9.871,286 9.871,287 9.871,288 9.871,289 6.999,290 5.225,291 3.418,292 10.796,293 2.761,294 1.014,295 0.644,296 0.491,297 0.491,298 0.491,299 3.64,306 1,307 1,308 290,309 2,312 34.133,313 94.138,316 64.659,320 1.167,321 11.256,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38.25,333 133,334 4.619,335 4.572,336 6.771,337 4.128,338 3.17,339 4.582,340 2.95,341 11.065,342 3.041,343 4.017,344 3.311,345 5.518,346 3.535,347 2.622,348 3.62,350 7.424,351 2.36,352 3.562,353 2.871,354 5.129,355 3.069,356 2.212,357 2.931,359 6.171,360 1.869,361 3.345,362 2.714,363 4.939,364 2.859,365 1.924,366 2.703,368 5.475,369 1.801,370 3.278,371 2.041,372 4.801,373 2.763,374 1.857,375 2.583,377 5.245,378 1.568,379 2.645,380 1.308,381 3.857,382 2.105,383 1.177,384 1.712,386 2.804,387 1.09,388 2.5,389 1.146,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.262,398 1,399 3.383,400 1.777,401 0.824,402 1.164,404 2.026,405 0.774,406 1.471,407 0.948,408 2.876,409 1.015,410 0.195,411 0.239,413 0.468,414 0.14,415 0.998,416 0.46,417 2.336,418 0.485,419 -0.344,420 -0.43,422 -0.813,423 -0.222,424 0.783,425 -0.041,426 2,427 0.388,428 -0.573,429 -0.743,431 -1.356,432 -0.552,433 0.5,434 -0.352,435 2,437 -0.926,438 -1.183,440 -2.448,441 -0.662,442 0.41,443 -0.967,444 2,445 -0.111,446 -1,447 -1.5,449 -3,450 -1,451 0.158,452 -1,453 1.717,454 -0.286,455 -1.213,456 -1.686,458 -3.185,459 -1.069,460 -0.111,461 -1.147,462 1.384,463 -0.693,464 -1.411,465 -1.869,467 -3.431,468 -1.209,469 9.7,470 0.539,471 0.435,472 0.024,473 26.25,474 1.458,475 14.5,476 0.806,477 11.75,478 0.653,479 12.787,480 0.71,481 17.3,482 0.665,483 13.806,484 0.767,485 4.893,486 0.272,487 3.844,488 0.214,489 0.189,491 0.309,496 0.635,497 1.01,498 0.478,499 0.663,500 0.682,501 0.695,502 0.715,503 0.9,504 0.59,505 0.697,506 0.702,507 0.67,508 0.997,509 1.041,510 1.204,511 1.197,512 0.918,513 1.044,514 1.279,515 1.254,516 1.118,517 1.439,518 1.102,519 1.206,520 1.048,521 0.888,522 0.42,523 0.781,524 1.276,525 0.901,526 0.782,527 1.187,528 0.408,529 0.798,530 0.816,531 1.139,532 1.192,533 1.022,534 0.628,535 0.789,536 1.2,537 1.082,538 1.368,539 0.719,540 1.115,541 0.666,542 1.439,543 0.895,544 3.5,546 2,547 1.285,548 0.756,549 0.385,550 0.292,551 0.174,552 0.141,553 0.04,554 2801,555 10390,556 2.12,557 30.8,559 4,561 1,563 3,567 1.587,568 2,569 2.883,570 -0.654,574 1,575 50.437,576 1.94,577 3.686,578 4.056,579 4.21,580 4.21,581 4.21,582 2.261,583 3.684,584 4.145,585 3.008,586 460.155,587 7.034,588 4276.5,589 1,590 1,592 1,593 122.211,594 1.352,595 4.109,596 0.175,598 0.071,599 0.049,600 0.036,601 0.023,602 0.017,603 0.013,604 0.02,605 0.01,606 0.415,607 0.33,608 1,609 0.584,610 75.522,611 0.133,612 -0.055,614 0.02,615 0.023,616 -0.004,617 0.134,618 0.102,619 0.036,620 0.127,621 0.134,622 0.143,623 -0.134,624 -0.029,625 -0.164,626 -0.119,627 -0.063,628 -0.125,629 -0.06,630 -0.225,631 -0.188,632 -0.287,633 -0.039,634 -0.25,635 -0.286,636 0.218,637 0.091,638 0.088,639 -0.357,640 -0.002,641 -0.059,642 -0.314,643 0.001,644 -0.205,645 -0.043,646 -0.321,647 -0.107,648 -0.124,649 0.069,650 0.009,651 -0.099,652 -0.059,653 -0.177,654 0.154,655 0.121,656 0.395,657 -0.201,658 0.362,659 1.137,660 1.624,661 0.833,662 10.222,663 1.023,664 1.104,665 3.507,666 12.302,667 0.798,668 3.045,669 3.367,670 3.638,671 3.912,672 4.078,673 4.043,674 4.111,675 4.205,676 4.159,677 4.043,678 4.536,679 0.753,680 322.2,681 3.045,682 4.575,683 5.425,684 6.304,685 7.172,686 8.057,687 8.932,688 9.818,689 10.697,690 11.585,691 11.5,701 3,708 2,709 5,710 3,712 1,714 4,716 16,737 1,738 26,739 16,740 1,741 20,742 1,743 28,744 12,745 11,746 2,747 4,752 3,753 4,759 1,768 11,769 1,786 1,789 8,790 4,792 6,793 2,796 1,797 3,803 0.667,804 1,817 1,822 1,823 2,826 1,855 2,856 1,857 1,858 1,859 1,862 18,873 1,885 1,886 3.8,891 1,893 9,894 5.243,895 3.917,896 1.47,898 3.121,899 1.48,900 1.015,901 3.163,902 9.628,903 3.367,904 4.039,905 4.674,906 5.302,907 5.791,908 6.005,909 6.383,910 6.813,911 6.943,912 7.176,913 0.8,914 26,915 6.569,917 2.739,918 7.671,919 12.498,921 10.031,924 2.171,925 39.083,926 0.001,929 94.169,930 103.033,931 99.122,933 9.734,935 32.22,936 116.768,937 103.903,938 53.168,939 8.825,941 37.905,942 69.346,943 28.288,944 1.122,945 114.617,946 45.954,947 94.169,948 123.981,949 9.734,950 32.22,951 45.954,952 94.169,953 9.734,956 24.608,957 46.206,958 53.168,959 78.174,960 94.169,961 62.902,962 148.987,965 94.169,966 47.684,967 55.349,968 45.954,969 62.902,970 94.169,971 62.902,972 148.987,973 0.584,974 0.341,975 0.187,976 0.1,977 15,978 6,979 0.071,980 2,981 1,982 1.133,983 3.081,984 131.287,985 0.133,986 15,987 71.059,989 1,993 11.846,994 4.806,995 2.351,996 1.41,997 62.902,998 9.563,999 12.269,1001 5.124,1003 3.839,1006 306.058,1007 28,1020 26.589,1021 28.712,1022 0.413,1023 0.784,1024 0.863,1025 0.896,1026 0.896,1027 0.896,1028 4.575,1029 0.824,1030 5.407,1031 2.275,1032 4.043,1033 4.723,1034 2.913,1035 6.213,1036 3.877,1037 5.805,1038 0.195,1039 6.959,1040 2.026,1041 3.611,1042 4.559,1044 7.116,1045 3.317,1046 7.122,1047 -0.344,1048 8.612,1049 0.468,1050 5.624,1051 7.023,1052 5.027,1053 10.229,1054 5.334,1055 8.479,1056 -0.573,1057 10.327,1058 -0.813,1059 6.019,1060 7.725,1062 12.031,1063 5.651,1064 9.869,1065 -0.926,1066 12.083,1067 -1.356,1068 7.504,1069 9.637,1070 7.185,1071 14.668,1072 7.129,1073 11.285,1074 -1,1075 13.872,1076 -2.448,1077 8.295,1078 10.765,1080 16.843,1081 7.876,1082 12.72,1083 -1.213,1084 15.685,1085 -3,1086 9.568,1087 12.445,1088 9.348,1089 19.325,1090 9.129,1091 3.17,1092 -1.411,1093 17.518,1094 -3.185,1095 10.551,1096 13.784,1098 21.645,1099 10.079,1100 2.622,1101 11.065,1102 19.367,1103 -3.431,1104 11.739,1105 15.366,1106 11.511,1107 24.075,1108 11.242,1109 2.212,1110 7.424,1111 21.229,1112 4.582,1113 12.811,1114 16.803,1116 26.448,1117 12.282,1118 1.924,1119 6.171,1120 23.102,1121 3.62,1122 13.969,1123 18.346,1124 13.675,1125 28.861,1126 13.41,1127 1.857,1128 5.475,1129 24.983,1130 2.931,1131 15.082,1132 19.828,1134 31.253,1135 14.49,1136 1.177,1137 5.245,1138 26.871,1139 2.703,1140 16.231,1141 21.356,1142 15.838,1143 33.659,1144 15.606,1145 1,1146 2.804,1147 28.764,1148 2.583,1149 17.364,1150 22.859,1152 36.059,1153 16.703,1154 2728,1155 5373,1156 13.523,1157 20.756,1158 30.199,1159 32.682,1160 30.979,1161 30.122,1162 29.962,1163 42.065,1164 5.9,1165 85.906,1166 27.286,1167 5.38,1168 6.572,1169 6.307,1170 5.269,1171 5.17,1172 7.582,1173 5.9,1174 17.93,1175 5.041,1176 7.149,1177 1.51,1178 1.634,1179 1.549,1180 1.506,1181 1.498,1182 2.103,1183 0.295,1184 4.295,1185 1.364,1186 4.055,1187 4.075,1188 6.88,1189 3.95,1190 5.323,1191 3.939,1192 3.862,1193 3.881,1194 4.144,1195 3.807,1196 4.751,1197 3.802,1198 3.328,1199 3.405,1200 3.822,1201 3.154,1202 4.667,1203 3.131,1204 3.006,1205 3.034,1206 3.341,1207 3.002,1208 4.041,1209 2.917,1210 2.882,1211 2.925,1212 3.126,1213 2.735,1214 3.771,1215 2.715,1216 2.854,1217 2.923,1218 2.732,1219 2.617,1220 3.674,1221 2.64,1222 2.603,1223 2.644,1224 2.687,1225 2.523,1226 3.612,1227 2.474,1228 2.058,1229 2.142,1230 2.38,1231 1.845,1232 3.279,1233 1.791,1234 0.231,1235 0.229,1236 0.339,1237 0.206,1238 0.158,1239 4.619,1240 0.229,1241 4.572,1242 0.148,1243 6.771,1244 0.553,1245 4.128,1246 0.152,1247 3.17,1248 4.582,1249 2.95,1250 11.065,1251 3.041,1252 1.891,1253 1.877,1254 1.93,1255 1.961,1256 1.092,1257 1.968,1258 1.772,1259 1.746,1260 1.839,1261 1.887,1262 0.974,1263 1.885,1264 1.366,1265 1.303,1266 1.588,1267 1.661,1268 0.582,1269 1.637,1270 0.907,1271 0.91,1272 1.181,1273 1.185,1274 0.218,1275 1.117,1276 0.886,1277 0.821,1278 0.954,1279 1.062,1280 0.147,1281 1.107,1282 0.742,1283 0.71,1284 0.877,1285 0.929,1286 0.003,1287 0.973,1288 0.667,1289 0.593,1290 0.823,1291 0.845,1293 0.884,1294 0.249,1295 0.197,1296 0.381,1297 0.482,1299 0.467,1300 3.714,1302 5.03,1303 2.398,1304 6.544,1305 4.727,1306 8.148,1307 6.823,1308 9.8,1309 3.416,1310 1.89,1319 1.573,1326 19.572,1327 50.437,1328 95.847,1329 105.457,1330 109.457,1331 109.457,1332 109.457,1333 18.346,1334 6.507,1335 51.81,1336 77.11,1337 17,1338 12.117,1339 4.087,1340 3.17,1341 25.729,1342 48,1343 52,1344 0.267,1345 130.63,1346 207.48,1347 310.498,1348 5032,1349 3.8,1350 12.535,1351 0.696,1352 0.657,1353 13.889,1354 11.825,1355 8.737,1356 0.437,1357 0.343,1358 5.291,1359 7.383,1360 5.021,1361 4.164,1362 9.723,1363 6.852,1364 7.945,1365 0.284,1366 0.202,1367 9.43,1368 5.661,1369 6.66,1370 0.18,1371 0.107,1372 7.998,1373 3.976,1374 5.615,1375 0.115,1376 0.057,1377 6.821,1378 2.779,1379 4.485,1380 0.077,1381 0.037,1382 5.997,1383 2.166,1384 0.405,1385 67.148,1386 0.272,1387 17.871,1388 0.77,1389 96,1390 314.186,1391 196.921,1392 362.06,1393 489.98,1394 338,1395 113,1396 331.429,1397 172.653,1398 360.555,1399 524.91,1400 338,1401 5.178}
{0 CHEMBL1468323,1 1.33,2 8.9,3 4.059,4 16.471,5 76.773,6 7.454,7 0.545,8 3.681,9 3.771,10 3.247,11 3.285,12 4.804,13 3.258,14 4.201,15 4.334,16 3.587,17 3.675,18 5.391,19 3.621,20 4.438,21 4.625,22 3.546,23 3.741,24 5.477,25 3.647,26 4.423,27 4.636,28 3.359,29 3.573,30 5.451,31 3.471,32 4.263,33 4.497,34 3.204,35 3.356,36 5.266,37 3.264,38 4.047,39 4.232,40 3.061,41 3.238,42 5.244,43 3.155,44 3.918,45 4.138,46 2.985,47 3.275,48 4.809,49 3.154,50 3.924,51 4.145,52 3.013,53 3.231,54 4.966,55 3.125,56 0.023,57 0.431,58 7.106,59 3.643,60 7.615,61 4.368,62 0.164,63 0.723,64 13.128,65 6.147,66 33.068,67 7.65,68 0.105,69 0.913,70 17.959,71 7.831,72 25.207,73 10.059,74 0.2,75 0.874,76 19.044,77 7.449,78 37.374,79 9.487,80 0.174,81 0.738,82 16.761,83 6.31,84 31.487,85 8.171,86 0.46,87 0.575,88 13.482,89 4.805,90 52.545,91 5.788,92 0.061,93 0.553,94 10.785,95 4.834,96 11.704,97 6.545,98 0.046,99 0.55,100 10.943,101 4.795,102 14.845,103 6.468,104 6,105 30,106 0.242,107 0.587,108 0.751,109 0.86,110 0.881,111 0.901,112 3.057,113 0.926,114 -4.92,115 -4.83,116 -4.53,120 47.2,122 3,126 1,143 7,144 4,145 1,159 1,168 1,172 1,174 14,175 1,177 4,180 1,182 1,185 17,186 2,189 6,194 2,197 10,198 2,201 6,206 2,209 4,210 1,214 4,215 1,219 1,222 6,226 1,230 1,235 10,247 12,248 2,252 2,257 2,260 10,261 2,264 2,269 2,271 6,272 2,274 450,275 13.585,276 13.585,277 13.585,278 13.585,279 13.585,280 11.993,281 15.53,282 8.073,283 13.71,284 10.872,285 10.872,286 10.872,287 10.872,288 10.872,289 8.388,290 15.821,291 3.839,292 11.072,293 3.84,294 1.946,295 1.046,296 0.444,297 0.333,298 0.222,299 3.739,305 1,306 1,307 1,308 386,309 2.739,312 46.696,313 115.195,316 80.371,320 1.32,321 18.728,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43,333 178,334 4.29,335 3.579,336 6.194,337 3.934,338 2.943,339 3.925,340 1.437,341 9.256,342 2.921,343 4.192,344 3.183,345 5.976,346 3.815,347 2.816,348 3.789,349 1.151,350 8.466,351 2.806,352 3.665,353 2.901,354 5.33,355 3.337,356 2.377,357 2.965,359 6.841,360 2.283,361 3.522,362 2.534,363 5.154,364 3.145,365 2.169,366 2.837,368 6.33,369 2.095,370 2.886,371 1.898,372 4.366,373 2.534,374 1.534,375 2.024,377 4.213,378 1.534,379 2.844,380 1.81,381 3.786,382 2.378,383 1.383,384 1.942,386 3.085,387 1.365,388 2.53,389 1.301,390 3.462,391 2.111,392 1.12,393 1.475,395 2.49,396 1.107,397 2.223,398 1.166,399 3.436,400 2.005,401 1,402 1.205,404 2.323,405 0.994,406 1.907,407 0.974,408 3.212,409 1.624,410 0.695,411 0.816,413 1.637,414 0.638,415 1.573,416 0.626,417 2.987,418 1.339,419 0.367,420 0.43,422 0.898,423 0.356,424 0.888,425 0.435,426 2.477,427 0.545,428 -0.423,429 -0.516,431 -1.104,432 -0.406,433 0.723,434 -0.101,435 2.152,436 0.273,437 -0.727,438 -0.945,440 -1.798,441 -0.708,442 0.596,443 -0.545,444 2,445 0.156,446 -0.837,447 -1.104,449 -2,450 -0.823,451 0.427,452 -0.696,453 1.703,454 0.056,455 -0.933,456 -1.199,458 -2.327,459 -0.921,460 0.406,461 -0.821,462 1.533,463 -0.018,464 -1,465 -1.431,467 -2.512,468 -0.981,469 9.5,470 0.475,471 0.452,472 0.023,473 26,474 1.3,475 14,476 0.7,477 12,478 0.6,479 13.551,480 0.678,481 21.1,482 0.586,483 16.598,484 0.83,485 5.132,486 0.257,487 4.588,488 0.229,489 0.07,491 0.316,496 0.77,497 0.976,498 0.783,499 0.962,500 0.706,501 0.89,502 0.668,503 1.02,504 0.879,505 1.021,506 0.393,507 0.993,508 0.804,509 1.184,510 1.012,511 1.183,512 0.605,513 1.142,514 1.151,515 1.094,516 1.087,517 1.09,518 0.991,519 1.08,520 1.126,521 0.976,522 0.914,523 0.959,524 0.862,525 0.909,526 1.463,527 0.648,528 1.219,529 0.678,530 1.361,531 0.867,532 0.403,533 0.955,534 0.844,535 0.972,536 0.398,537 0.982,538 0.463,539 1.032,540 0.79,541 1.033,542 0.582,543 0.979,544 4,545 0.075,546 2,547 0.882,548 0.911,549 0.386,550 0.178,551 0.227,552 0.128,553 0.111,554 4171,555 10938,556 2.107,557 44.4,558 6,559 9,562 1,567 1.612,568 2,569 3.184,570 -0.37,572 1,575 47.876,576 1.33,577 3.224,578 4.124,579 4.725,580 4.837,581 4.948,582 2.522,583 3.722,584 4.299,585 3.317,586 630.26,587 7.311,588 6616.45,590 1,591 1,592 1,593 186.117,594 1.295,595 4.266,596 0.182,597 0.009,598 0.067,599 0.033,600 0.043,601 0.021,602 0.011,603 0.014,604 0.008,605 0.009,606 0.398,607 0.67,608 1,609 0.764,610 89.79,611 -0.05,612 0.053,613 0.026,614 0.055,615 -0.066,616 0.054,617 0.121,618 -0.013,619 -0.013,620 -0.021,621 0.22,622 -0.037,623 -0.022,624 -0.205,625 -0.092,626 -0.201,627 0.034,628 -0.166,629 -0.093,630 -0.133,631 -0.091,632 -0.13,633 -0.078,634 -0.113,635 -0.038,636 -0.022,637 0.117,638 -0.002,639 -0.003,640 0.07,641 0.057,642 0.324,643 -0.175,644 0.272,645 -0.071,646 0.053,647 0.039,648 0.027,649 0.054,650 0.03,651 0.051,652 0.042,653 0.08,654 -0.057,655 0.13,656 -0.04,657 0.124,658 0.038,659 2.579,660 3.915,661 0.75,662 13.75,663 1.001,664 1.11,665 3.695,666 13.651,667 0.679,668 3.135,669 3.434,670 3.664,671 3.871,672 4.025,673 3.989,674 4.06,675 4.094,676 4.043,677 4.143,678 5.53,679 0.649,680 268.33,681 3.135,682 4.654,683 5.485,684 6.34,685 7.186,686 8.042,687 8.892,688 9.748,689 10.601,690 11.457,709 7,714 5,716 12,725 1,735 1,738 36,739 13,740 2,741 22,743 38,744 17,745 12,746 5,747 7,748 1,752 3,753 4,763 3,766 3,768 13,769 4,772 1,778 1,782 1,786 1,789 16,790 3,791 1,792 3,803 0.667,804 3,822 1,823 2,826 1,853 1,855 2,862 20,868 1,869 4,872 1,886 8.3,888 1,889 1,891 1,893 10,894 6.367,895 4.389,896 2.217,898 2.361,899 1.355,900 0.967,901 3.636,902 9.013,903 3.401,904 3.97,905 4.494,906 4.994,907 5.482,908 5.513,909 5.728,910 5.862,911 6.095,912 6.488,913 0.833,914 27,915 7.398,917 3.155,918 7.825,919 14.184,921 11.772,924 2.325,925 46.5,926 0.001,929 176.567,930 97.425,933 78.828,936 97.425,937 255.395,940 12.196,941 66.334,942 68.738,943 28.986,945 176.567,947 176.567,948 97.425,949 78.828,952 176.567,953 78.828,956 12.196,957 85.229,960 176.567,961 78.828,962 97.425,965 176.567,966 31.092,967 66.334,969 78.828,970 176.567,971 78.828,972 97.425,973 0.579,974 0.331,975 0.17,976 0.089,977 15,978 6,979 0.105,980 4,981 1,982 1.133,983 3.364,984 144.98,985 0.133,986 15,987 86.439,993 13.042,994 5.575,995 2.979,997 78.828,998 13.071,1003 4.809,1005 42.683,1006 352.82,1007 29,1013 10.915,1017 -0.913,1020 36.051,1021 39.95,1022 0.257,1023 0.624,1024 0.798,1025 0.914,1026 0.936,1027 0.957,1028 4.615,1029 1,1030 5.451,1031 2.49,1032 4.111,1033 4.654,1034 2.051,1035 6.205,1036 4.078,1037 5.804,1038 0.695,1039 6.974,1040 2.323,1041 3.611,1042 4.388,1044 6.974,1045 3.571,1046 7.094,1047 0.367,1048 8.594,1049 1.637,1050 5.652,1051 6.792,1052 2.567,1053 10.011,1054 5.595,1055 8.419,1056 -0.423,1057 10.268,1058 0.898,1059 5.969,1060 7.312,1062 11.592,1063 5.91,1064 9.773,1065 -0.727,1066 11.978,1067 -1.104,1068 7.459,1069 9.198,1070 3.146,1071 14.107,1072 7.387,1073 11.147,1074 -0.837,1075 13.71,1076 -1.798,1077 8.153,1078 10.085,1080 16.026,1081 8.082,1082 12.535,1083 -0.933,1084 15.459,1085 -2,1086 9.405,1087 11.735,1088 3.772,1089 18.35,1090 9.325,1091 2.943,1092 -1,1093 17.22,1094 -2.327,1095 10.284,1096 12.818,1098 20.423,1099 10.205,1100 2.816,1101 9.256,1102 18.99,1103 -2.512,1104 11.429,1105 14.344,1106 4.432,1107 22.672,1108 11.343,1109 2.377,1110 8.466,1111 20.766,1112 3.925,1113 12.401,1114 15.538,1116 24.815,1117 12.314,1118 2.169,1119 6.841,1120 22.548,1121 3.789,1122 13.498,1123 16.994,1124 5.115,1125 27.037,1126 13.406,1127 1.534,1128 6.33,1129 24.334,1130 2.965,1131 14.515,1132 18.253,1134 29.214,1135 14.421,1136 1.383,1137 4.213,1138 26.124,1139 2.837,1140 15.592,1141 19.668,1142 5.812,1143 31.426,1144 15.492,1145 1.12,1146 3.085,1147 27.918,1148 2.024,1149 16.633,1150 20.967,1152 33.62,1153 16.529,1154 4013,1155 6605,1156 14.909,1157 24.455,1158 32.901,1159 33.796,1160 33.259,1161 32.809,1162 32.81,1163 42.818,1164 5.175,1165 91.08,1166 32.199,1167 5.148,1168 5.579,1169 5.747,1170 4.997,1171 4.943,1172 6.925,1173 2.873,1174 15.529,1175 4.921,1176 7.908,1177 1.496,1178 1.536,1179 1.512,1180 1.491,1181 1.491,1182 1.946,1183 0.235,1184 4.14,1185 1.464,1186 4.026,1187 4.051,1188 3.962,1189 3.962,1190 7.475,1191 3.958,1192 3.923,1193 3.944,1194 3.865,1195 3.863,1196 6.351,1197 3.86,1198 3.478,1199 3.517,1200 3.37,1201 3.332,1202 4.863,1203 3.328,1204 3.313,1205 3.319,1206 3.239,1207 3.103,1208 4.668,1209 3.128,1210 3.106,1211 3.148,1212 2.963,1213 2.913,1214 4.323,1215 2.921,1216 2.948,1217 3.02,1218 2.787,1219 2.831,1220 3.879,1221 2.812,1222 2.665,1223 2.72,1224 2.512,1225 2.454,1226 3.643,1227 2.46,1228 2.561,1229 2.637,1230 2.419,1231 2.351,1232 3.57,1233 2.365,1234 0.195,1235 0.163,1236 0.282,1237 0.179,1238 0.134,1239 4.29,1240 0.178,1241 3.579,1242 0.065,1243 6.194,1244 0.421,1245 3.934,1246 0.133,1247 2.943,1248 3.925,1249 1.437,1250 9.256,1251 2.921,1252 1.931,1253 1.912,1254 2.034,1255 2.023,1256 1.185,1257 2.026,1258 1.875,1259 1.856,1260 1.976,1261 1.947,1262 1.178,1263 1.957,1264 1.563,1265 1.498,1266 1.836,1267 1.73,1268 1.14,1269 1.77,1270 1.251,1271 1.231,1272 1.464,1273 1.507,1274 0.632,1275 1.476,1276 1.075,1277 1.052,1278 1.29,1279 1.345,1280 0.483,1281 1.313,1282 0.991,1283 0.932,1284 1.238,1285 1.167,1286 0.227,1287 1.21,1288 0.781,1289 0.721,1290 1.068,1291 0.966,1292 0.157,1293 1.003,1294 0.564,1295 0.511,1296 0.917,1297 0.876,1299 0.896,1300 3.807,1302 5.106,1303 2.398,1304 6.592,1305 4.595,1306 8.161,1307 6.581,1308 9.773,1314 8.959,1315 3.899,1318 5.759,1326 23.359,1327 47.876,1328 116.059,1329 148.466,1330 170.117,1331 174.117,1332 178.117,1333 28.929,1334 6.652,1335 46.53,1336 46.53,1337 17,1338 12.01,1339 3.807,1340 3,1341 30.174,1342 68,1343 50,1344 0.221,1345 143.157,1346 251.67,1347 341.063,1348 6477,1350 13.949,1351 0.697,1352 0.557,1353 13.949,1354 11.134,1355 9.72,1356 0.442,1357 0.309,1358 6.728,1359 9.449,1360 6.581,1361 5.438,1362 9.72,1363 6.791,1364 8.744,1365 0.291,1366 0.169,1367 8.744,1368 5.078,1369 7.148,1370 0.188,1371 0.096,1372 7.148,1373 3.649,1374 5.734,1375 0.122,1376 0.055,1377 5.734,1378 2.599,1379 4.466,1380 0.081,1381 0.029,1382 4.466,1383 1.591,1384 0.35,1385 60.385,1386 0.259,1387 20.172,1388 0.593,1389 104,1390 303.621,1391 111.971,1392 291.603,1393 391.91,1394 272,1395 120,1396 279.121,1397 126.977,1398 284.256,1399 412.47,1400 267,1401 6.425}
{0 CHEMBL1468355,1 1.663,2 7.842,3 3.321,4 11.027,5 76.167,6 7.897,7 0.455,8 3.697,9 3.794,10 3.396,11 3.271,12 4.642,13 3.228,14 4.301,15 4.461,16 3.818,17 3.683,18 5.221,19 3.622,20 4.517,21 4.733,22 3.78,23 3.771,24 5.372,25 3.654,26 4.389,27 4.609,28 3.636,29 3.673,30 5.215,31 3.511,32 4.165,33 4.382,34 3.467,35 3.471,36 5,37 3.327,38 3.968,39 4.156,40 3.148,41 3.368,42 4.784,43 3.206,44 3.957,45 4.178,46 2.875,47 3.162,48 4.704,49 3.012,50 3.849,51 4.066,52 2.698,53 2.87,54 4.648,55 2.798,56 0.011,57 0.523,58 7.607,59 3.633,60 2.248,61 4.33,62 0.207,63 0.92,64 17.377,65 6.129,66 12.855,67 7.504,68 0.369,69 1.062,70 23.891,71 8.303,72 22.526,73 10.123,74 0.276,75 0.988,76 25.348,77 8.164,78 18.686,79 9.531,80 0.209,81 0.796,82 19.982,83 6.444,84 14.12,85 7.616,86 0.179,87 0.66,88 14.771,89 5.459,90 9.692,91 6.648,92 0.07,93 0.589,94 12.998,95 4.961,96 7.247,97 6.404,98 0.236,99 0.457,100 11.27,101 3.587,102 12.794,103 4.327,105 31,106 0.307,107 0.576,108 0.716,109 0.766,110 0.777,111 0.787,112 3.012,113 1.046,114 -3.49,115 -3.47,116 -3.31,120 40,122 3,126 4,143 2,145 2,147 1,153 1,163 1,174 2,176 1,177 7,185 2,188 1,189 4,197 2,200 1,201 5,209 2,213 1,214 2,222 1,226 2,235 4,247 2,252 4,264 2,274 311,275 13.378,276 13.378,277 13.378,278 13.378,279 13.378,280 12.293,281 17.674,282 8.018,283 13.985,284 10.93,285 10.93,286 10.93,287 10.93,288 10.93,289 9.122,290 22.906,291 3.878,292 11.975,293 3.466,294 2.002,295 1.243,296 0.971,297 0.914,298 0.857,299 3.719,305 1,306 1,307 1,308 339,309 1.732,312 27.712,313 119.548,316 49.18,317 60.321,320 1.235,321 12.924,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 41,333 149,334 4.56,335 3.319,336 6.455,337 4.051,338 3.133,339 4.493,340 0.86,341 10.179,342 2.884,343 4.06,344 3.117,345 6.132,346 3.699,347 2.797,348 3.532,349 0.86,350 9.043,351 2.506,352 3.645,353 2.622,354 5.779,355 3.338,356 2.414,357 2.87,358 0.8,359 7.789,360 2.22,361 3.178,362 2.215,363 4.732,364 2.692,365 1.771,366 2.471,368 5.206,369 1.628,370 2.874,371 1.857,372 4.384,373 2.666,374 1.716,375 1.921,377 4.238,378 1.611,379 2.483,380 1.704,381 4,382 2.333,383 1.414,384 1.482,386 3.148,387 1.285,388 2.399,389 1.427,390 3.621,391 1.984,392 1.136,393 1.376,395 3.01,396 0.983,397 2.18,398 1.154,399 3.485,400 1.977,401 1.036,402 1.153,404 2.564,405 0.955,406 2,407 1.077,408 3.247,409 1.936,410 1,411 1,413 2.136,414 0.91,415 1.554,416 0.518,417 3,418 1.104,419 0.241,420 0.311,422 0.629,423 0.205,424 0.918,425 -0.195,426 2.68,427 0.52,428 -0.414,429 -0.5,431 -1.132,432 -0.381,433 0.625,434 -0.288,435 2.393,436 0.261,437 -0.699,438 -0.748,440 -1.642,441 -0.607,442 0.399,443 -0.572,444 2,445 0.166,446 -0.709,447 -0.869,449 -1.896,450 -0.665,451 0.166,452 -0.784,453 2,454 -0.049,455 -1,456 -1,458 -2.347,459 -0.946,461 -0.916,462 1.555,463 -0.1,464 -1.041,465 -1.272,467 -2.743,468 -0.967,469 9.3,470 0.489,471 0.359,472 0.019,473 22.75,474 1.197,475 9.5,476 0.5,477 13.25,478 0.697,479 15.895,480 0.837,481 20.7,482 0.591,483 11.736,484 0.618,485 3.889,486 0.205,487 5.51,488 0.29,491 0.312,496 0.857,497 1.326,498 0.707,499 1.015,500 0.73,501 0.948,502 1.223,503 1.08,504 0.822,505 0.916,506 0.976,507 0.877,508 1.101,509 0.922,510 0.882,511 0.807,512 0.947,513 0.837,514 0.834,515 1.081,516 1.34,517 1.235,518 0.958,519 1.036,520 0.702,521 1.085,522 1.27,523 1.235,524 0.838,525 1.002,526 0.434,527 1.116,528 1.437,529 1.378,530 0.883,531 1.295,532 0.71,533 1.29,534 1.048,535 1.299,536 0.914,537 1.318,538 2.205,539 0.71,540 0.915,541 0.676,542 1.979,543 0.92,544 3,545 0.005,546 1.778,547 0.979,548 0.983,549 0.414,550 0.234,551 0.128,552 0.028,553 0.021,554 3567,555 7986,556 2.273,557 45.7,558 2,559 10,564 4,567 1.602,568 2.235,569 3.014,570 -0.724,572 1,574 1,575 58.222,576 1.663,577 3.128,578 3.886,579 4.158,580 4.215,581 4.272,582 2.294,583 3.261,584 4.221,585 3.086,586 527.655,587 7.181,588 5005.5,589 1,590 1,591 1,592 1,593 179.525,594 0.9,595 4.22,596 0.136,597 0.002,598 0.057,599 0.034,600 0.043,601 0.021,602 0.015,603 0.011,604 0.003,605 0.003,606 0.325,607 0.67,608 1,610 81.258,611 -0.012,612 -0.216,613 0.098,614 -0.046,615 0.073,616 -0.002,617 -0.075,618 -0.014,619 0.102,620 0.037,621 0.069,622 0.046,623 0.006,624 0.06,625 0.096,626 0.153,627 0.118,628 0.118,629 0.007,630 -0.014,631 -0.073,632 -0.073,633 -0.007,634 -0.032,635 0.081,636 -0.006,637 -0.027,638 -0.085,639 0.051,640 0.001,641 0.133,642 -0.034,643 -0.338,644 -0.26,645 -0.163,646 -0.284,647 0.005,648 -0.36,649 -0.206,650 -0.383,651 -0.139,652 -0.334,653 -0.414,654 0.142,655 -0.177,656 0.066,657 -0.454,658 -0.052,659 0.873,660 2.127,661 1,662 12.914,663 1.003,664 1.121,665 2.262,666 5.118,667 0.683,668 3.135,669 3.466,670 3.784,671 4.094,672 4.369,673 4.454,674 4.644,675 4.82,676 4.875,677 4.836,678 4.692,679 0.638,680 276.39,681 3.135,682 4.673,683 5.541,684 6.428,685 7.315,686 8.21,687 9.105,688 10.004,689 10.903,690 11.804,691 5.7,697 1,701 1,708 2,709 2,710 1,713 1,714 3,716 10,732 1,735 2,738 35,739 10,740 1,741 22,743 38,744 14,745 7,746 4,747 2,752 4,753 7,763 3,766 3,768 7,769 7,785 1,786 1,789 16,790 4,792 5,793 1,797 2,803 0.5,804 2,822 1,823 3,826 1,827 1,855 2,857 1,862 19,869 7,872 2,875 1,879 1,886 5.7,891 2,893 8.5,894 6.317,895 4.083,896 2.392,898 2.108,899 1.295,900 1.03,901 3.079,902 9.258,903 3.332,904 3.937,905 4.568,906 5.215,907 5.783,908 6.197,909 6.634,910 7.035,911 7.078,912 7.145,913 0.667,914 29,915 7.063,917 3.063,918 7.43,919 14.095,921 12.166,924 1.93,925 36.667,926 0.003,929 188.338,930 85.107,931 19.91,933 22,935 31.278,936 53.83,937 210.337,938 19.91,940 21,941 18.952,942 16.786,943 38.256,944 0.746,945 219.615,947 188.338,948 73.74,949 22,950 31.278,952 141.253,953 69.084,956 23.645,957 33.309,958 16.786,959 31.278,960 188.338,961 41.91,962 85.107,965 188.338,966 66.155,967 22.077,969 38.785,970 188.338,971 41.91,972 85.107,973 0.579,974 0.342,975 0.195,976 0.11,977 18,978 6,979 0.026,980 1,981 2,982 1.211,983 3.282,984 149.5,985 0.211,986 19,987 76.711,989 1,993 11.915,994 4.909,995 2.209,996 2.208,997 41.91,998 4.072,999 4.753,1002 1.756,1003 2.818,1006 315.355,1007 27,1020 35.12,1021 39.242,1022 0.324,1023 0.61,1024 0.758,1025 0.811,1026 0.822,1027 0.833,1028 4.58,1029 1.036,1030 5.509,1031 3.01,1032 4.143,1033 4.62,1034 1.593,1035 6.323,1036 3.966,1037 5.758,1038 1,1039 7.057,1040 2.564,1041 3.611,1042 4.477,1043 0.325,1044 7.168,1045 3.331,1046 7.065,1047 0.241,1048 8.706,1049 2.136,1050 5.727,1051 6.858,1052 1.294,1053 10.299,1054 5.377,1055 8.412,1056 -0.414,1057 10.416,1058 0.629,1059 6.066,1060 7.619,1061 0.268,1062 11.989,1063 5.593,1064 9.8,1065 -0.699,1066 12.164,1067 -1.132,1068 7.607,1069 9.462,1070 1.061,1071 14.592,1072 7.083,1073 11.213,1074 -0.709,1075 13.938,1076 -1.642,1077 8.36,1078 10.624,1079 0.188,1080 16.62,1081 7.713,1082 12.646,1083 -1,1084 15.73,1085 -1.896,1086 9.654,1087 12.258,1088 0.861,1089 19.032,1090 8.954,1091 3.133,1092 -1.041,1093 17.534,1094 -2.347,1095 10.603,1096 13.604,1097 0.125,1098 21.207,1099 9.79,1100 2.797,1101 10.179,1102 19.347,1103 -2.743,1104 11.793,1105 15.155,1106 0.69,1107 23.548,1108 10.919,1109 2.414,1110 9.043,1111 21.166,1112 4.493,1113 12.835,1114 16.585,1115 0.082,1116 25.789,1117 11.86,1118 1.771,1119 7.789,1120 22.99,1121 3.532,1122 13.982,1123 18.104,1124 0.544,1125 28.103,1126 12.94,1127 1.716,1128 5.206,1129 24.818,1130 2.87,1131 15.068,1132 19.571,1133 0.054,1134 30.377,1135 13.933,1136 1.414,1137 4.238,1138 26.649,1139 2.471,1140 16.201,1141 21.078,1142 0.424,1143 32.684,1144 14.993,1145 1.136,1146 3.148,1147 28.483,1148 1.921,1149 17.309,1150 22.563,1151 0.035,1152 34.974,1153 16.013,1154 3284,1155 5067,1156 15.603,1157 23.898,1158 33.32,1159 33.802,1160 33.305,1161 33.287,1162 33.317,1163 41.218,1164 5.04,1165 95.883,1166 30.37,1167 5.56,1168 5.319,1169 6.257,1170 5.191,1171 5.133,1172 7.493,1173 1.72,1174 16.954,1175 4.884,1177 1.515,1178 1.536,1179 1.514,1180 1.513,1181 1.514,1182 1.874,1183 0.229,1184 4.358,1185 1.38,1186 4.081,1187 4.094,1188 4.328,1189 4.048,1190 5.036,1191 4.011,1192 3.809,1193 3.868,1194 3.708,1195 3.662,1196 4.689,1197 3.656,1198 3.57,1199 3.598,1200 3.593,1201 3.406,1202 4.252,1203 3.393,1204 3.168,1205 3.233,1206 3.128,1207 3.061,1208 4.213,1209 3.024,1210 3.111,1211 3.206,1212 2.911,1213 2.941,1214 3.852,1215 2.91,1216 2.933,1217 2.97,1218 2.866,1219 2.801,1220 3.55,1221 2.792,1222 2.869,1223 2.94,1224 2.731,1225 2.68,1226 3.474,1227 2.669,1228 2.492,1229 2.565,1230 2.433,1231 2.137,1232 3.387,1233 2.139,1234 0.207,1235 0.151,1236 0.293,1237 0.184,1238 0.142,1239 4.56,1240 0.204,1241 3.319,1242 0.039,1243 6.455,1244 0.463,1245 4.051,1246 0.131,1247 3.133,1248 4.493,1249 0.86,1250 10.179,1251 2.884,1252 1.902,1253 1.897,1254 2.04,1255 2.019,1256 1.396,1257 2.019,1258 1.818,1259 1.755,1260 1.953,1261 1.994,1262 1.135,1263 1.999,1264 1.423,1265 1.38,1266 1.665,1267 1.639,1268 0.933,1269 1.651,1270 1.276,1271 1.25,1272 1.513,1273 1.423,1274 0.825,1275 1.447,1276 1.153,1277 1.064,1278 1.374,1279 1.376,1280 0.657,1281 1.429,1282 0.901,1283 0.827,1284 1.147,1285 1.132,1286 0.312,1287 1.156,1288 0.745,1289 0.734,1290 0.913,1291 0.934,1292 0.08,1293 0.925,1294 0.62,1295 0.564,1296 0.804,1297 0.809,1298 0.013,1299 0.839,1300 3.807,1302 5.13,1303 2.398,1304 6.663,1305 4.727,1306 8.288,1307 6.843,1308 9.96,1315 7.422,1318 11.239,1321 2.398,1326 22.347,1327 58.222,1328 109.467,1329 136.015,1330 145.525,1331 147.525,1332 149.525,1333 19.272,1334 7.151,1335 34.59,1336 62.83,1337 23,1338 12.326,1339 3.459,1340 2.585,1341 24.423,1342 57,1343 46,1344 0.232,1345 136.492,1346 227.05,1347 324.801,1348 11327,1350 12.656,1351 0.666,1352 0.607,1353 13.01,1354 11.54,1355 9.399,1356 0.427,1357 0.349,1358 6.813,1359 8.549,1360 6.652,1361 5.419,1362 9.807,1363 7.668,1364 8.426,1365 0.272,1366 0.194,1367 9.068,1368 6.017,1369 7.472,1370 0.174,1371 0.11,1372 8.274,1373 4.747,1374 6.509,1375 0.11,1376 0.063,1377 7.421,1378 3.701,1379 5.555,1380 0.071,1381 0.035,1382 6.406,1383 2.759,1384 0.352,1385 63.276,1386 0.253,1387 18.792,1388 0.667,1389 106,1390 297.622,1391 144.345,1392 297.379,1393 419.73,1394 284,1395 127,1396 303.286,1397 163.354,1398 316.121,1399 475.63,1400 300,1401 4.938}
{0 CHEMBL1468522,1 1.441,2 9.808,3 3.667,4 13.447,5 96.651,6 8.39,7 0.429,8 3.857,9 3.922,10 3.498,11 3.412,12 5.16,13 3.427,14 4.311,15 4.412,16 3.869,17 3.762,18 5.643,19 3.775,20 4.524,21 4.623,22 3.999,23 3.902,24 5.891,25 3.912,26 4.641,27 4.772,28 3.964,29 3.888,30 6.079,31 3.875,32 4.647,33 4.814,34 3.773,35 3.79,36 5.964,37 3.764,38 4.467,39 4.632,40 3.669,41 3.619,42 5.992,43 3.596,44 4.332,45 4.496,46 3.465,47 3.487,48 5.69,49 3.456,50 4.209,51 4.382,52 3.471,53 3.435,54 5.535,55 3.412,56 0.15,57 0.495,58 6.718,59 4.035,60 18.162,61 4.056,62 0.356,63 0.776,64 12.471,65 6.371,66 32.953,67 6.811,68 0.465,69 0.949,70 15.493,71 7.744,72 53.746,73 7.986,74 0.716,75 1.054,76 19.594,77 8.687,78 84.628,79 9.539,80 0.707,81 1.049,82 22.603,83 8.658,84 89.35,85 9.331,86 0.636,87 0.879,88 18.409,89 7.304,90 104.174,91 8.323,92 0.603,93 0.76,94 16.575,95 6.266,96 89.297,97 6.765,98 0.425,99 0.688,100 14.228,101 5.765,102 61.517,103 6.774,104 38,105 40,106 0.25,107 0.628,108 0.797,109 0.873,110 0.898,111 0.898,112 3.304,113 0.832,114 -4.07,115 -4.02,116 -3.81,120 47.6,121 1,125 1,136 3,137 1,143 5,144 3,145 4,158 1,159 1,174 10,176 1,177 7,182 3,185 13,189 6,192 1,194 3,197 10,200 1,201 11,204 2,206 3,209 8,214 7,219 3,222 6,226 1,227 6,230 1,232 4,235 7,239 1,240 4,245 2,247 8,252 2,255 1,257 2,260 8,263 1,264 4,267 1,271 6,274 984,275 17.162,276 17.162,277 17.162,278 17.162,279 17.162,280 15.032,281 16.37,282 9.822,283 17.456,284 13.694,285 13.694,286 13.694,287 13.694,288 13.694,289 10.289,290 17.963,291 4.532,292 14.085,293 3.951,294 1.777,295 0.807,296 0.369,297 0.226,298 0.226,299 3.98,305 1,306 1,307 1,308 538,309 3.24,313 220.336,317 115.468,320 1.391,321 42.31,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 58,333 255,334 4.611,335 3.713,336 6.916,337 4.235,338 3.254,339 4.306,340 1.674,341 11.579,342 3.193,343 4.252,344 3.51,345 6.142,346 3.829,347 2.868,348 3.908,349 0.86,350 8.798,351 2.764,352 4.063,353 3.126,354 6.068,355 3.694,356 2.693,357 3.472,359 8.742,360 2.685,361 3.654,362 2.986,363 5.239,364 3.238,365 2.258,366 2.999,368 6.543,369 2.202,370 3.497,371 2.563,372 5.031,373 3.123,374 2.131,375 2.745,377 5.957,378 2.094,379 3.315,380 2.31,381 4.972,382 2.913,383 1.916,384 2.533,386 5.321,387 1.892,388 3.176,389 2.202,390 4.865,391 2.733,392 1.776,393 2.319,395 5.213,396 1.681,397 2.884,398 1.982,399 4.206,400 2.463,401 1.531,402 2.022,404 3.837,405 1.419,406 2.697,407 1.4,408 3.956,409 2.166,410 1.162,411 1.688,413 2.984,414 1.163,415 2.316,416 0.994,417 3.236,418 1.636,419 0.645,420 0.954,422 1.472,423 0.631,424 1.721,425 0.942,426 2.891,427 1.394,428 0.5,429 0.595,431 0.853,432 0.443,433 1.376,434 0.914,435 2.816,436 0.948,442 1.261,443 0.418,444 2.746,445 0.872,446 -0.088,447 -0.112,449 -0.206,450 -0.083,451 1.132,452 0.296,453 2.577,454 0.738,455 -0.217,456 -0.283,458 -0.44,459 -0.203,460 0.787,461 0.092,462 2.294,463 0.51,464 -0.515,465 -0.648,467 -1.255,468 -0.515,469 12,470 0.462,471 0.771,472 0.03,473 36,474 1.385,475 20,476 0.769,477 16,478 0.615,479 18.113,480 0.697,481 27.6,482 0.657,483 29.623,484 1.139,485 7.544,486 0.29,487 4.857,488 0.187,489 0.194,491 0.417,496 0.834,497 0.98,498 0.714,499 0.955,500 0.774,501 0.834,502 0.786,503 0.924,504 0.674,505 0.901,506 0.588,507 0.787,508 0.965,509 1.116,510 0.901,511 1.099,512 0.934,513 1.008,514 0.878,515 1.15,516 0.984,517 1.151,518 0.868,519 1.112,520 1.29,521 0.959,522 1.152,523 0.956,524 1.299,525 0.998,526 0.961,527 1.05,528 0.989,529 1.049,530 1.104,531 1.033,532 1.234,533 0.882,534 1.16,535 0.889,536 1.553,537 0.975,538 0.848,539 0.918,540 0.824,541 0.911,542 0.73,543 0.871,544 6,545 0.161,546 3.556,547 2.438,548 1.942,549 1.097,550 0.567,551 0.29,552 0.283,553 0.244,554 7416,555 25178,556 1.992,557 38.1,558 3,559 11,562 2,567 1.692,568 1.814,569 3.268,570 0.251,572 1,574 1,575 60.529,576 1.441,577 3.615,578 4.586,579 5.023,580 5.166,581 5.166,582 2.643,583 4.393,584 4.675,585 3.455,586 1122.83,587 8.103,588 13994.6,589 1,590 1,592 1,593 226.477,594 1.549,595 4.601,596 0.214,597 0.008,598 0.089,599 0.055,600 0.049,601 0.033,602 0.02,603 0.012,604 0.011,605 0.01,606 0.502,607 0.33,608 1,609 0.85,610 126.666,611 -0.098,612 0.041,613 -0.002,614 0.047,615 -0.138,616 0.051,617 0.024,618 0.082,619 0.138,620 0.095,621 0.054,622 0.139,623 -0.054,624 -0.119,625 -0.067,626 -0.117,627 -0.076,628 -0.101,629 0.091,630 -0.169,631 -0.06,632 -0.177,633 0.074,634 -0.168,635 -0.226,636 0.011,637 -0.135,638 0.012,639 -0.176,640 -0.022,641 0.043,642 -0.08,643 0.016,644 -0.078,645 0.142,646 -0.049,647 -0.147,648 0.09,649 -0.141,650 0.078,651 -0.248,652 -0.004,653 0.039,654 0.058,655 0.163,656 0.075,657 0.095,658 0.138,659 2.262,660 5.607,661 0.615,662 20.154,663 1.025,664 1.109,665 2.845,666 8.092,667 0.686,668 3.367,669 3.714,670 3.989,671 4.248,672 4.466,673 4.5,674 4.466,675 4.575,676 4.554,677 4.564,678 6.109,679 0.679,680 352.36,681 3.367,682 4.92,683 5.778,684 6.668,685 7.544,686 8.438,687 9.319,688 10.216,689 11.1,690 11.998,709 5,714 7,716 12,721 1,734 2,735 1,738 42,739 16,740 2,741 28,743 44,744 20,745 12,746 7,747 5,748 6,752 3,753 4,759 1,768 18,769 2,772 4,778 2,780 3,782 3,785 1,786 1,789 16,790 6,791 2,792 6,803 0.667,804 6,823 3,827 1,841 1,845 3,846 1,855 2,859 2,862 26,868 2,872 2,886 14.3,888 2,889 2,891 2,893 14.333,894 8.233,895 5.75,896 2.267,898 3.317,899 1.461,900 0.924,901 4.935,902 10.51,903 3.664,904 4.277,905 4.868,906 5.419,907 5.956,908 6.229,909 6.475,910 6.826,911 7.059,912 7.307,913 1,914 44,915 9.634,917 4.2,918 8.179,919 17.459,921 13.963,924 2.679,925 69.667,928 1,929 164.795,930 131.072,933 157.656,936 131.072,937 322.452,939 19.708,941 75.81,942 147.981,943 45.229,945 164.795,947 164.795,948 131.072,949 157.656,952 164.795,953 157.656,956 8.825,957 93.818,958 28.429,960 164.795,961 157.656,962 131.072,965 164.795,966 35.554,967 95.518,969 157.656,970 164.795,971 157.656,972 131.072,973 0.589,974 0.356,975 0.192,976 0.104,977 19,978 10,979 0.091,980 4,981 1,982 1.125,983 3.643,984 218.025,985 0.125,986 16,987 122.211,993 17.924,994 7.159,995 3.572,997 157.656,998 7.593,1003 1.146,1005 85.367,1006 453.524,1007 38,1013 24.264,1015 4.089,1017 -0.464,1020 43.033,1021 46.578,1022 0.267,1023 0.67,1024 0.85,1025 0.932,1026 0.958,1027 0.958,1028 4.913,1029 1.531,1030 5.79,1031 5.213,1032 4.394,1033 4.963,1034 2.09,1035 6.632,1036 4.345,1037 6.152,1038 1.162,1039 7.377,1040 3.837,1041 4.111,1042 4.879,1044 7.612,1045 4.046,1046 7.48,1047 0.645,1048 9.062,1049 2.984,1050 6.023,1051 7.179,1052 2.88,1053 10.721,1054 5.935,1055 8.841,1056 0.5,1057 10.803,1058 1.472,1059 6.509,1060 7.86,1062 12.522,1063 6.401,1064 10.23,1066 12.581,1067 0.853,1068 7.937,1069 9.67,1070 3.826,1071 15.181,1072 7.812,1073 11.64,1074 -0.088,1075 14.385,1077 8.779,1078 10.72,1080 17.344,1081 8.631,1082 13.067,1083 -0.217,1084 16.208,1085 -0.206,1086 10.026,1087 12.325,1088 4.83,1089 19.852,1090 9.862,1091 3.254,1092 -0.515,1093 18.048,1094 -0.44,1095 11.036,1096 13.563,1098 22.174,1099 10.849,1100 2.868,1101 11.579,1102 19.902,1103 -1.255,1104 12.216,1105 15.077,1106 5.852,1107 24.632,1108 12.013,1109 2.693,1110 8.798,1111 21.766,1112 4.306,1113 13.304,1114 16.412,1116 27.023,1117 13.079,1118 2.258,1119 8.742,1120 23.64,1121 3.908,1122 14.464,1123 17.884,1124 6.88,1125 29.468,1126 14.221,1127 2.131,1128 6.543,1129 25.522,1130 3.472,1131 15.59,1132 19.27,1134 31.889,1135 15.327,1136 1.916,1137 5.957,1138 27.41,1139 2.999,1140 16.746,1141 20.725,1142 7.91,1143 34.332,1144 16.465,1145 1.776,1146 5.321,1147 29.304,1148 2.745,1149 17.891,1150 22.138,1152 36.768,1153 17.591,1154 7331,1155 13625,1156 17.918,1157 28.818,1158 42.553,1159 44.242,1160 44.185,1161 41.479,1162 41.468,1163 55.082,1164 5.069,1165 122.594,1166 40.333,1167 5.451,1168 5.713,1169 6.439,1170 5.324,1171 5.254,1172 7.306,1173 3.349,1174 18.992,1175 5.193,1176 15.866,1177 1.52,1178 1.58,1179 1.578,1180 1.481,1181 1.481,1182 1.967,1183 0.181,1184 4.378,1185 1.44,1186 4.031,1187 4.037,1188 4.001,1189 3.955,1190 7.435,1191 3.964,1192 3.918,1193 3.93,1194 3.873,1195 3.845,1196 7.427,1197 3.849,1198 3.608,1199 3.621,1200 3.556,1201 3.488,1202 6.472,1203 3.498,1204 3.431,1205 3.455,1206 3.356,1207 3.301,1208 6.466,1209 3.307,1210 3.236,1211 3.298,1212 3.08,1213 2.969,1214 4.792,1215 2.984,1216 3.142,1217 3.173,1218 3.012,1219 2.891,1220 4.738,1221 2.913,1222 2.981,1223 3.005,1224 2.879,1225 2.779,1226 4.426,1227 2.793,1228 2.793,1229 2.839,1230 2.693,1231 2.625,1232 4.121,1233 2.6,1234 0.165,1235 0.133,1236 0.247,1237 0.151,1238 0.116,1239 4.611,1240 0.154,1241 3.713,1242 0.06,1243 6.916,1244 0.414,1245 4.235,1246 0.114,1247 3.254,1248 4.306,1249 1.674,1250 11.579,1251 3.193,1252 1.971,1253 1.964,1254 2.04,1255 2.064,1256 1.182,1257 2.053,1258 1.894,1259 1.88,1260 1.985,1261 1.989,1262 1.09,1263 1.986,1264 1.564,1265 1.544,1266 1.722,1267 1.715,1268 0.805,1269 1.711,1270 1.395,1271 1.367,1272 1.598,1273 1.573,1274 0.609,1275 1.578,1276 1.186,1277 1.116,1278 1.529,1279 1.478,1280 0.55,1281 1.494,1282 1.043,1283 1.007,1284 1.311,1285 1.355,1286 0.301,1287 1.336,1288 0.921,1289 0.885,1290 1.119,1291 1.146,1292 0.178,1293 1.125,1294 0.791,1295 0.723,1296 1.051,1297 1.009,1298 0.129,1299 1.017,1300 4.043,1302 5.38,1304 6.919,1306 8.557,1308 10.248,1310 3.148,1314 19.713,1318 10.178,1326 28.503,1327 60.529,1328 151.848,1329 192.603,1330 210.968,1331 216.968,1332 216.968,1333 65.516,1334 7.193,1335 96.97,1336 96.97,1337 18,1338 12.524,1339 4.087,1340 3.459,1341 44.349,1342 95,1343 92,1344 0.229,1345 175.141,1346 322.02,1347 419.103,1348 12496,1350 18.845,1351 0.725,1352 0.544,1353 18.845,1354 14.146,1355 12.401,1356 0.443,1357 0.277,1358 7.635,1359 11.859,1360 7.405,1361 6.167,1362 12.401,1363 7.763,1364 11.393,1365 0.285,1366 0.143,1367 11.393,1368 5.714,1369 9.519,1370 0.18,1371 0.075,1372 9.519,1373 3.975,1374 7.996,1375 0.116,1376 0.039,1377 7.996,1378 2.665,1379 6.209,1380 0.072,1381 0.02,1382 6.209,1383 1.73,1384 0.357,1385 78.648,1386 0.236,1387 24.903,1388 0.634,1389 136,1390 491.242,1391 151.722,1392 462.563,1393 614.04,1394 428,1395 161,1396 438.152,1397 176.06,1398 441.913,1399 645.42,1400 413,1401 4.825}
{0 CHEMBL1468562,1 1.819,2 17.706,3 3.486,4 12.151,5 122.294,6 9.469,7 0.343,8 4.098,9 4.172,10 3.834,11 3.577,12 5.397,13 3.609,14 4.582,15 4.693,16 4.184,17 3.875,18 5.972,19 3.899,20 4.742,21 4.856,22 4.306,23 3.985,24 6.174,25 3.992,26 4.767,27 4.912,28 4.208,29 3.971,30 6.103,31 3.947,32 4.777,33 4.926,34 4.094,35 3.893,36 6.388,37 3.845,38 4.643,39 4.83,40 3.998,41 3.677,42 5.988,43 3.685,44 4.486,45 4.61,46 3.927,47 3.562,48 5.985,49 3.617,50 4.43,51 4.542,52 3.927,53 3.591,54 6.137,55 3.613,56 0.317,57 0.693,58 6.591,59 4.747,60 23.425,61 4.716,62 0.951,63 0.991,64 16.963,65 7.544,66 68.615,67 7.613,68 1.242,69 1.127,70 23.558,71 8.596,72 112.599,73 8.263,74 1.07,75 1.116,76 25.908,77 9.512,78 100.867,79 9.933,80 1.459,81 1.053,82 35.421,83 10.161,84 177.707,85 11.681,86 1.094,87 0.946,88 26.487,89 8.231,90 128.506,91 9.2,92 1.143,93 0.801,94 23.18,95 6.263,96 104.076,97 5.607,98 1.155,99 0.778,100 15.527,101 6.348,102 128.438,103 6.699,104 69,105 46,106 0.301,107 0.613,108 0.716,109 0.745,110 0.745,111 0.745,112 3.559,113 0.879,114 -3.01,115 -3.01,116 -2.9,120 40.7,125 2,126 2,136 2,143 6,145 6,159 4,174 3,176 2,177 6,180 2,182 4,185 4,188 2,189 10,192 2,194 2,197 4,201 4,206 2,209 2,213 6,214 8,217 4,219 2,227 6,232 2,239 2,240 6,247 4,251 6,252 2,255 4,260 6,264 2,271 4,274 2392,275 22.325,276 22.325,277 22.325,278 22.325,279 22.325,280 20.048,281 28.869,282 13.244,283 23.147,284 17.092,285 17.092,286 17.092,287 17.092,288 17.092,289 13.338,290 35.016,291 6.145,292 18.265,293 3.936,294 2.051,295 1.426,296 1.25,297 1.25,298 1.25,299 4.224,303 2,307 1,308 1230,309 5,313 297.108,320 2.782,321 56.518,324 0.75,325 0.5,326 0.67,327 0.7,328 0.5,329 0.67,330 0.5,331 0.61,332 77.667,333 602,334 4.247,335 3.684,336 6.065,337 3.805,338 2.875,339 3.894,340 2.061,341 8.739,342 2.663,343 4.247,344 3.658,345 6.065,346 3.805,347 2.875,348 3.894,349 2.061,350 8.739,351 2.662,352 3.88,353 3.525,354 5.421,355 3.509,356 2.542,357 3.165,358 1.622,359 7.127,360 2.433,361 3.767,362 3.47,363 5.418,364 3.445,365 2.487,366 3.021,367 1.622,368 7.118,369 2.352,370 3.718,371 3.251,372 5.15,373 3.351,374 2.377,375 2.991,376 0.86,377 6.393,378 2.289,379 3.531,380 3.251,381 4.962,382 3.158,383 2.197,384 2.727,385 0.86,386 5.881,387 2.084,388 3.33,389 2.397,390 4.747,391 2.93,392 1.939,393 2.541,394 0.313,395 5.276,396 1.893,397 3.304,398 2.396,399 4.685,400 2.894,401 1.888,402 2.49,403 0.313,404 5.114,405 1.869,406 2.847,407 2.145,408 4.16,409 2.359,410 1.475,411 1.978,413 3.706,414 1.236,415 2.847,416 2.145,417 4.159,418 2.359,419 1.475,420 1.978,422 3.705,423 1.236,424 2.384,425 1.72,426 3.314,427 1.771,428 0.86,429 1.091,431 1.959,432 0.771,433 1.868,434 1.716,435 3.128,436 1.581,437 0.702,438 0.79,440 1.399,441 0.603,442 1.862,443 1.113,444 2.979,445 1.537,446 0.655,447 0.763,449 1.184,450 0.562,451 1.722,452 1.113,453 2.853,454 1.39,455 0.482,456 0.543,458 0.964,459 0.425,460 1.682,461 1.091,462 2.694,463 1.186,464 0.181,465 0.254,467 0.379,468 0.177,469 15.895,470 0.468,471 0.876,472 0.026,473 43.5,474 1.279,475 21.5,476 0.632,477 22,478 0.647,479 26.445,480 0.778,481 38.105,482 0.706,483 38.641,484 1.137,485 9.525,486 0.28,487 6.685,488 0.197,489 0.237,491 0.315,496 0.797,497 1.38,498 0.557,499 1.069,500 0.606,501 0.909,502 0.989,503 1.102,504 0.69,505 0.827,506 0.649,507 0.813,508 1.074,509 1.02,510 1.039,511 0.98,512 1.12,513 1.007,514 1.117,515 1.169,516 1.027,517 1.089,518 1.12,519 1.094,520 0.761,521 1.042,522 1.42,523 1.303,524 0.917,525 1.267,526 1.064,527 0.996,528 0.673,529 0.872,530 1.099,531 0.807,532 1.416,533 0.847,534 1.195,535 0.985,536 1.437,537 0.921,538 0.762,539 0.827,540 0.64,541 0.794,542 1.081,543 0.893,544 8.5,545 0.207,546 3.778,547 2.125,548 1.947,549 0.861,550 0.65,551 0.493,552 0.263,553 0.282,554 19551,555 80268,556 1.914,557 37,559 18,562 2,567 1.751,568 1.759,569 4.068,570 0.293,575 98.218,576 1.819,577 3.704,578 4.329,579 4.505,580 4.505,581 4.505,582 3.499,583 4.087,584 5.061,585 4.273,586 2397.22,587 8.823,588 42199.8,593 310.764,594 1.522,595 4.993,596 0.243,597 0.007,598 0.082,599 0.045,600 0.046,601 0.023,602 0.019,603 0.015,604 0.008,605 0.01,606 0.498,607 0.33,608 0.63,609 0.881,610 191.131,611 -0.096,612 -0.186,613 0.007,614 -0.115,615 -0.074,616 -0.035,617 -0.031,618 -0.036,619 0.058,620 0.118,621 0.046,622 0.092,623 -0.07,624 0.053,625 -0.114,626 -0.024,627 -0.132,628 -0.113,629 -0.185,630 -0.17,631 -0.072,632 -0.104,633 -0.156,634 -0.118,635 0.235,636 -0.105,637 -0.232,638 -0.274,639 0.251,640 -0.252,641 -0.06,642 -0.065,643 0.223,644 0.072,645 -0.02,646 0.214,647 -0.19,648 0.156,649 -0.203,650 -0.053,651 -0.187,652 -0.043,653 0.367,654 0.173,655 0.072,656 0.126,657 0.286,658 0.007,659 2.628,660 4.867,661 0.353,662 46.256,663 1.043,664 1.124,665 1.776,666 3.153,667 0.685,668 3.584,669 3.85,670 3.989,671 4.111,672 4.234,673 4.174,674 4.127,675 4.111,676 3.871,677 3.932,678 10.129,679 0.679,680 511.34,681 3.584,682 5.094,683 5.889,684 6.723,685 7.532,686 8.366,687 9.181,688 10.015,689 10.834,690 11.668,691 3.7,698 2,709 6,714 6,716 12,735 2,737 2,738 54,739 17,740 2,741 35,743 55,744 22,745 12,746 6,747 6,748 4,752 2,753 2,754 2,768 18,769 4,772 5,778 4,780 2,782 4,789 20,790 10,791 2,792 12,793 2,797 2,803 1,804 8,823 2,838 2,841 2,845 2,855 2,859 2,860 2,862 34,869 2,871 2,872 4,885 2,886 14.8,889 4,891 4,893 19.333,894 10.286,895 7.806,896 2.696,898 2.373,899 1.338,900 0.913,901 11.159,902 9.397,903 3.85,904 4.357,905 4.766,906 5.169,907 5.624,908 5.609,909 5.623,910 5.746,911 5.292,912 5.569,913 0.917,914 47,915 12.549,917 5.18,918 8.291,919 22.351,921 16.622,924 2.791,925 94.889,929 211.88,930 153.554,931 36.022,932 78.297,933 144.579,936 153.554,937 434.756,938 36.022,939 21.766,940 45.206,941 75.81,942 124.372,943 67.001,945 211.88,946 78.297,947 211.88,948 189.576,949 144.579,950 78.297,952 211.88,953 144.579,956 45.206,957 125.417,958 97.25,960 211.88,961 180.601,962 231.852,965 211.88,966 55.978,967 97.576,968 36.022,969 222.877,970 211.88,971 180.601,972 231.852,973 0.571,974 0.321,975 0.156,976 0.081,977 16,978 10,979 0.218,980 12,982 1,983 4.599,984 268.662,986 12,987 138.974,993 27.465,994 13.814,995 9.554,997 180.601,998 9.166,1003 2.208,1005 36.022,1006 624.332,1007 46,1013 47.072,1015 1.53,1017 -3.17,1020 56.305,1021 60.712,1022 0.316,1023 0.644,1024 0.752,1025 0.783,1026 0.783,1027 0.783,1028 5.063,1029 1.888,1030 5.861,1031 5.276,1032 4.533,1033 5.043,1034 3.388,1035 6.575,1036 4.406,1037 6.253,1038 1.475,1039 7.373,1040 5.114,1041 4.111,1042 4.868,1043 2.179,1044 7.298,1045 3.926,1046 7.539,1047 1.475,1048 8.975,1049 3.706,1050 6.052,1051 7.122,1052 4.417,1053 10.274,1054 5.816,1055 8.853,1056 0.86,1057 10.625,1058 3.705,1059 6.365,1060 7.67,1061 3.874,1062 11.739,1063 6.042,1064 10.19,1065 0.702,1066 12.305,1067 1.959,1068 7.797,1069 9.455,1070 5.623,1071 14.239,1072 7.438,1073 11.543,1074 0.655,1075 14.005,1076 1.399,1077 8.456,1078 10.349,1079 5.439,1080 16.045,1081 7.99,1082 12.908,1083 0.482,1084 15.721,1085 1.184,1086 9.672,1087 11.938,1088 6.91,1089 18.357,1090 9.172,1091 2.875,1092 0.181,1093 17.449,1094 0.964,1095 10.512,1096 13.022,1097 6.96,1098 20.336,1099 9.898,1100 2.875,1101 8.739,1102 19.186,1103 0.379,1104 11.629,1105 14.512,1106 8.243,1107 22.565,1108 10.973,1109 2.542,1110 8.739,1111 20.932,1112 3.894,1113 12.564,1114 15.708,1115 8.46,1116 24.633,1117 11.798,1118 2.487,1119 7.127,1120 22.685,1121 3.894,1122 13.637,1123 17.142,1124 9.606,1125 26.825,1126 12.819,1127 2.377,1128 7.118,1129 24.444,1130 3.165,1131 14.622,1132 18.404,1133 9.947,1134 28.939,1135 13.701,1136 2.197,1137 6.393,1138 26.208,1139 3.021,1140 15.677,1141 19.808,1142 10.992,1143 31.116,1144 14.694,1145 1.939,1146 5.881,1147 27.977,1148 2.991,1149 16.69,1150 21.109,1151 11.425,1152 33.254,1153 15.611,1154 19530,1155 39759,1156 22.076,1157 36.977,1158 51.042,1159 54.014,1160 52.744,1161 50.214,1162 50.021,1163 64.242,1164 19.423,1165 135.365,1166 46.511,1167 5.164,1168 5.684,1169 5.607,1170 4.886,1171 4.875,1172 6.894,1173 3.862,1174 14.975,1175 4.663,1176 23.134,1177 1.458,1178 1.543,1179 1.507,1180 1.435,1181 1.429,1182 1.835,1183 0.555,1184 3.868,1185 1.329,1186 3.948,1187 3.968,1188 4.031,1189 3.861,1190 7.444,1191 3.863,1192 3.912,1193 3.932,1194 4.005,1195 3.833,1196 7.431,1197 3.834,1198 3.737,1199 3.737,1200 3.704,1201 3.551,1202 7.426,1203 3.579,1204 3.58,1205 3.592,1206 3.559,1207 3.315,1208 7.424,1209 3.36,1210 3.476,1211 3.503,1212 3.472,1213 3.253,1214 5.004,1215 3.285,1216 3.264,1217 3.314,1218 3.305,1219 2.971,1220 4.981,1221 2.998,1222 3.233,1223 3.298,1224 3.254,1225 2.959,1226 4.496,1227 2.969,1228 3.122,1229 3.12,1230 3.15,1231 2.808,1232 4.495,1233 2.853,1234 0.121,1235 0.105,1236 0.173,1237 0.109,1238 0.082,1239 4.247,1240 0.111,1241 3.684,1242 0.059,1243 6.065,1244 0.25,1245 3.805,1246 0.076,1247 2.875,1248 3.894,1249 2.061,1250 8.739,1251 2.663,1252 1.877,1253 1.86,1254 1.953,1255 1.99,1256 1.064,1257 1.983,1258 1.877,1259 1.859,1260 1.952,1261 1.988,1262 1.064,1263 1.982,1264 1.628,1265 1.62,1266 1.752,1267 1.844,1268 0.778,1269 1.808,1270 1.443,1271 1.422,1272 1.624,1273 1.729,1274 0.742,1275 1.69,1276 1.376,1277 1.343,1278 1.588,1279 1.626,1280 0.642,1281 1.606,1282 1.19,1283 1.121,1284 1.555,1285 1.507,1286 0.573,1287 1.521,1288 1.181,1289 1.108,1290 1.53,1291 1.482,1292 0.572,1293 1.502,1294 0.919,1295 0.917,1296 1.13,1297 1.28,1298 0.185,1299 1.202,1300 4.263,1302 5.541,1304 6.989,1306 8.515,1308 10.084,1310 2.909,1311 11.93,1315 -1.205,1317 4.97,1318 19.479,1326 36.684,1327 98.218,1328 200.035,1329 233.744,1330 243.254,1331 243.254,1332 243.254,1333 118.88,1334 7.025,1335 129.26,1336 129.26,1337 12,1338 12.241,1339 4.17,1340 3.585,1341 85.848,1342 211,1343 186,1344 0.19,1345 237.038,1346 436.34,1347 570.133,1348 12183,1349 3.7,1350 25.087,1351 0.738,1352 0.575,1353 26.087,1354 19.567,1355 16.21,1356 0.463,1357 0.293,1358 9.319,1359 14.659,1360 9.027,1361 7.502,1362 16.787,1363 10.255,1364 14.274,1365 0.31,1366 0.156,1367 15.015,1368 7.158,1369 10.888,1370 0.205,1371 0.085,1372 11.595,1373 4.508,1374 8.151,1375 0.136,1376 0.048,1377 8.887,1378 2.903,1379 5.981,1380 0.088,1381 0.023,1382 6.291,1383 1.573,1384 0.32,1385 110.784,1386 0.213,1387 32.977,1388 0.469,1389 162,1390 714.957,1391 219.067,1392 714.023,1393 904.28,1394 660,1395 180,1396 567.778,1397 227.981,1398 585.953,1399 842.17,1400 543,1401 5.185}
{0 CHEMBL1468811,1 1.554,2 8.968,3 4.124,4 17.009,5 118.131,6 7.731,7 0.676,8 4.1,9 4.199,10 3.689,11 3.629,12 5.302,13 3.629,14 4.579,15 4.725,16 4.04,17 3.991,18 5.71,19 3.982,20 4.786,21 4.933,22 4.2,23 4.152,24 6.01,25 4.132,26 4.93,27 5.104,28 4.172,29 4.206,30 6.073,31 4.161,32 5.023,33 5.216,34 4.198,35 4.26,36 6.128,37 4.206,38 5.037,39 5.215,40 4.239,41 4.29,42 6.174,43 4.242,44 5.091,45 5.298,46 4.274,47 4.299,48 6.232,49 4.245,50 5.069,51 5.281,52 4.179,53 4.23,54 6.238,55 4.166,56 0.089,57 0.745,58 10.432,59 4.909,60 14.312,61 5.818,62 0.261,63 1.172,64 19.017,65 7.767,66 23.992,67 9.533,68 0.466,69 1.444,70 23.261,71 9.182,72 48.277,73 11.615,74 0.5,75 1.602,76 28.536,77 10.807,78 53.103,79 13.761,80 0.615,81 1.696,82 33.18,83 12.319,84 69.645,85 15.668,86 0.601,87 1.734,88 32.807,89 12.263,90 70.374,91 15.312,92 0.732,93 1.841,94 35.748,95 12.875,96 71.068,97 17.113,98 0.705,99 1.725,100 35.943,101 12.979,102 83.853,103 17.054,104 30,105 48,106 0.255,107 0.595,108 0.753,109 0.84,110 0.852,111 0.852,112 3.473,113 0.859,114 -3.72,115 -3.68,116 -3.51,120 44.4,121 1,125 2,128 1,143 9,144 3,145 4,146 1,147 2,148 1,174 9,177 7,180 1,182 4,185 8,189 6,192 3,194 8,197 7,200 1,201 5,205 1,206 6,209 8,214 6,217 3,219 5,222 11,227 5,230 1,231 1,232 3,235 10,239 3,240 6,243 2,245 4,247 9,251 2,252 6,255 1,256 1,257 3,260 7,264 7,267 1,269 2,271 4,274 1768,275 21.102,276 21.102,277 21.102,278 21.102,279 21.102,280 18.258,281 23.364,282 12.265,283 21.68,284 16.626,285 16.626,286 16.626,287 16.626,288 16.626,289 12.342,290 31.269,291 5.648,292 17.422,293 4.201,294 2.129,295 1.163,296 0.635,297 0.56,298 0.56,299 4.167,306 1,307 1,308 593,309 3.317,313 376.291,317 143.04,320 1.265,321 33.798,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 67.5,333 278,334 4.615,335 3.547,336 6.831,337 4.215,338 3.24,339 4.528,340 1.193,341 11.281,342 3.158,343 4.417,344 3.278,345 6.47,346 3.991,347 3.032,348 4.107,349 0.86,350 10.019,351 2.906,352 4.061,353 3.011,354 6.262,355 3.722,356 2.765,357 3.523,358 0.86,359 9.281,360 2.638,361 3.844,362 2.567,363 5.504,364 3.392,365 2.439,366 3.379,367 0.14,368 7.025,369 2.32,370 3.585,371 2.555,372 5.311,373 3.19,374 2.22,375 2.955,377 6.67,378 2.15,379 3.424,380 2.446,381 5.19,382 2.983,383 2.061,384 2.799,386 6.118,387 1.958,388 3.355,389 2.153,390 4.959,391 2.972,392 2.004,393 2.604,395 5.795,396 1.867,397 3.132,398 1.839,399 4.773,400 2.672,401 1.693,402 2.406,404 4.875,405 1.652,406 2.915,407 1.652,408 4.128,409 2.463,410 1.487,411 2.085,413 3.368,414 1.448,415 2.5,416 1.551,417 3.598,418 1.965,419 1.012,420 1.5,422 2.682,423 0.961,424 2.383,425 1.156,426 3.539,427 1.953,428 1,429 1.331,431 2.21,432 0.949,433 2.28,434 1.014,435 3.383,436 1.879,437 0.919,438 1.231,440 2.136,441 0.878,442 1.916,443 1,444 3.247,445 1.674,446 0.83,447 0.883,449 1.599,450 0.695,451 1.576,452 0.916,453 2.911,454 1.27,455 0.396,456 0.452,458 0.603,459 0.342,460 1.407,461 0.504,462 2.859,463 1.044,464 0.113,465 0.138,467 0.279,468 0.104,469 14.533,470 0.469,471 0.746,472 0.024,473 44.5,474 1.435,475 24.5,476 0.79,477 20,478 0.645,479 24.302,480 0.784,481 32.867,482 0.609,483 37.254,484 1.202,485 9.138,486 0.295,487 5.873,488 0.189,489 0.149,491 0.378,496 0.97,497 1.188,498 0.785,499 1.02,500 1.007,501 0.893,502 1.067,503 1.036,504 0.798,505 0.876,506 0.762,507 0.801,508 0.843,509 1.189,510 0.909,511 1.063,512 0.798,513 0.998,514 1.028,515 1.146,516 1.056,517 1.108,518 1.137,519 1.083,520 1.137,521 0.945,522 1,523 0.942,524 1.278,525 0.949,526 1.244,527 1.091,528 1.08,529 1.028,530 1.213,531 1.03,532 0.833,533 0.96,534 0.901,535 0.965,536 0.786,537 0.941,538 0.981,539 0.99,540 0.936,541 0.998,542 0.858,543 0.97,544 6,545 0.198,546 3.778,547 2.375,548 2.453,549 1.278,550 0.915,551 0.821,552 0.489,553 0.345,554 11116,555 31243,556 2.065,557 42.6,559 16,561 1,562 3,563 3,567 1.748,568 1.918,569 3.151,570 0.844,572 1,575 83.928,576 1.554,577 3.626,578 4.592,579 5.12,580 5.194,581 5.194,582 2.497,583 4.389,584 4.926,585 3.343,586 1554.57,587 8.669,588 21638.2,590 1,592 1,593 310.764,594 1.462,595 4.877,596 0.176,597 0.009,598 0.079,599 0.044,600 0.048,601 0.024,602 0.017,603 0.015,604 0.01,605 0.01,606 0.432,607 0.33,608 1,609 0.839,610 156.916,611 -0.104,612 -0.073,613 0.024,614 0.006,615 -0.166,616 0.034,617 -0.1,618 0.039,619 0.092,620 0.119,621 -0.036,622 0.136,623 0.118,624 -0.092,625 -0.018,626 -0.088,627 0.119,628 -0.077,629 -0.026,630 -0.1,631 -0.121,632 -0.136,633 -0.076,634 -0.141,635 -0.069,636 0.046,637 -0.025,638 0.04,639 -0.107,640 0.016,641 -0.124,642 -0.086,643 -0.119,644 -0.048,645 -0.117,646 -0.082,647 0.141,648 0.052,649 0.077,650 0.002,651 0.12,652 0.027,653 0.085,654 -0.032,655 0.069,656 -0.019,657 0.175,658 0.013,659 1.856,660 5.156,661 0.71,662 26.676,663 1.008,664 1.12,665 2.489,666 6.194,667 0.675,668 3.555,669 3.892,670 4.205,671 4.477,672 4.762,673 4.852,674 5.024,675 5.176,676 5.293,677 5.313,678 5.989,679 0.652,680 417.5,681 3.555,682 5.106,683 5.974,684 6.864,685 7.751,686 8.649,687 9.545,688 10.446,689 11.347,690 12.251,691 5.6,696 1,701 2,708 2,709 10,710 2,714 8,716 23,729 1,734 2,735 2,738 54,739 23,740 2,741 34,743 57,744 24,745 20,746 8,747 4,752 4,753 5,759 1,766 1,768 20,769 4,786 1,789 23,790 7,791 3,792 7,797 3,803 0.75,804 4,816 2,823 4,827 1,855 3,859 3,862 31,868 2,871 1,872 2,874 1,886 7.4,888 2,891 2,893 16.167,894 10.55,895 6.944,896 2.914,898 3.386,899 1.445,900 0.948,901 6.048,902 10.99,903 3.839,904 4.494,905 5.124,906 5.723,907 6.332,908 6.609,909 7.031,910 7.488,911 7.954,912 8.222,913 0.833,914 54,915 11.445,917 4.883,918 7.806,919 21.477,921 17.323,924 2.306,925 71.5,927 1,928 1,929 235.422,930 151.585,931 51.582,933 107.366,936 151.585,937 342.789,938 51.582,939 30.591,941 85.286,942 148.72,943 55.379,944 2.328,945 223.651,947 235.422,948 203.167,949 107.366,952 235.422,953 107.366,956 22.774,957 128.811,958 51.582,960 235.422,961 158.948,962 151.585,965 235.422,966 26.66,967 124.925,968 18.011,969 140.938,970 235.422,971 158.948,972 151.585,973 0.58,974 0.356,975 0.195,976 0.112,977 23,978 11,979 0.105,980 6,981 1,982 1.091,983 3.991,984 295.327,985 0.091,986 22,987 145.58,993 21.066,994 8.9,995 4.186,996 1.354,997 158.948,998 18.209,999 8.876,1003 3.238,1005 103.377,1006 545.955,1007 45.5,1020 54.451,1021 60.485,1022 0.27,1023 0.63,1024 0.798,1025 0.89,1026 0.903,1027 0.903,1028 5.074,1029 1.693,1030 5.969,1031 5.795,1032 4.575,1033 5.182,1034 1.839,1035 6.812,1036 4.489,1037 6.302,1038 1.487,1039 7.551,1040 4.875,1041 4.205,1042 5.047,1043 0.747,1044 7.776,1045 4.082,1046 7.626,1047 1.012,1048 9.234,1049 3.368,1050 6.201,1051 7.453,1052 1.725,1053 10.903,1054 6.047,1055 8.987,1056 1,1057 10.975,1058 2.682,1059 6.648,1060 8.126,1061 1.15,1062 12.675,1063 6.451,1064 10.378,1065 0.919,1066 12.754,1067 2.21,1068 8.115,1069 10.012,1070 1.738,1071 15.333,1072 7.899,1073 11.792,1074 0.83,1075 14.558,1076 2.136,1077 8.936,1078 11.078,1079 1.466,1080 17.447,1081 8.679,1082 13.222,1083 0.396,1084 16.38,1085 1.599,1086 10.2,1087 12.743,1088 1.855,1089 19.94,1090 9.924,1091 3.24,1092 0.113,1093 18.217,1094 0.603,1095 11.197,1096 14.016,1097 1.768,1098 22.206,1099 10.886,1100 3.032,1101 11.281,1102 20.065,1103 0.279,1104 12.382,1105 15.58,1106 2.052,1107 24.637,1108 12.051,1109 2.765,1110 10.019,1111 21.922,1112 4.528,1113 13.462,1114 16.961,1115 2.076,1116 26.974,1117 13.098,1118 2.439,1119 9.281,1120 23.787,1121 4.107,1122 14.62,1123 18.482,1124 2.305,1125 29.383,1126 14.234,1127 2.22,1128 7.025,1129 25.658,1130 3.523,1131 15.737,1132 19.918,1133 2.394,1134 31.754,1135 15.323,1136 2.061,1137 6.67,1138 27.533,1139 3.379,1140 16.888,1141 21.421,1142 2.594,1143 34.157,1144 16.451,1145 2.004,1146 6.118,1147 29.414,1148 2.955,1149 18.024,1150 22.886,1151 2.721,1152 36.546,1153 17.561,1154 10748,1155 18147,1156 22.482,1157 36.449,1158 50.672,1159 51.666,1160 53.227,1161 50.356,1162 50.425,1163 67.842,1164 6.106,1165 147.881,1166 48.053,1167 5.452,1168 5.547,1169 6.633,1170 5.257,1171 5.24,1172 7.528,1173 2.053,1174 18.852,1175 5.158,1176 16.143,1177 1.49,1178 1.52,1179 1.566,1180 1.481,1181 1.483,1182 1.995,1183 0.18,1184 4.349,1185 1.413,1186 4.105,1187 4.128,1188 4.071,1189 4.033,1190 6.472,1191 4.039,1192 3.932,1193 3.954,1194 3.893,1195 3.839,1196 6.466,1197 3.849,1198 3.836,1199 3.871,1200 3.78,1201 3.723,1202 4.949,1203 3.73,1204 3.564,1205 3.603,1206 3.486,1207 3.46,1208 4.891,1209 3.461,1210 3.303,1211 3.355,1212 3.169,1213 3.119,1214 4.812,1215 3.123,1216 3.288,1217 3.35,1218 3.144,1219 3.006,1220 4.58,1221 3.026,1222 3.126,1223 3.207,1224 2.971,1225 2.905,1226 4.377,1227 2.907,1228 3.041,1229 3.095,1230 2.881,1231 2.829,1232 4.187,1233 2.829,1234 0.136,1235 0.104,1236 0.201,1237 0.124,1238 0.095,1239 4.615,1240 0.133,1241 3.547,1242 0.035,1243 6.831,1244 0.332,1245 4.215,1246 0.093,1247 3.24,1248 4.528,1249 1.193,1250 11.281,1251 3.158,1252 2.054,1253 2.035,1254 2.121,1255 2.142,1256 1.293,1257 2.136,1258 1.887,1259 1.871,1260 1.974,1261 2.008,1262 1.11,1263 1.997,1264 1.802,1265 1.765,1266 1.915,1267 1.938,1268 0.933,1269 1.931,1270 1.547,1271 1.511,1272 1.729,1273 1.692,1274 0.828,1275 1.704,1276 1.257,1277 1.202,1278 1.59,1279 1.558,1280 0.63,1281 1.565,1282 1.227,1283 1.163,1284 1.56,1285 1.495,1286 0.584,1287 1.518,1288 1.115,1289 1.032,1290 1.439,1291 1.374,1292 0.536,1293 1.4,1294 0.996,1295 0.931,1296 1.269,1297 1.239,1298 0.343,1299 1.25,1300 4.234,1302 5.565,1304 7.107,1306 8.747,1308 10.437,1310 4.824,1314 21.496,1317 3.362,1318 10.665,1320 -0.523,1326 35.191,1327 83.928,1328 195.796,1329 247.97,1330 276.499,1331 280.499,1332 280.499,1333 59.901,1334 7.604,1335 96.73,1336 96.73,1337 24,1338 12.771,1339 4.585,1340 3.644,1341 48.79,1342 104,1343 111,1344 0.216,1345 215.58,1346 369.84,1347 517.774,1348 18104,1350 21.957,1351 0.708,1352 0.563,1353 21.957,1354 17.456,1355 15.012,1356 0.442,1357 0.286,1358 9.569,1359 14.383,1360 9.259,1361 7.736,1362 15.012,1363 9.732,1364 13.273,1365 0.277,1366 0.148,1367 13.273,1368 7.094,1369 11.764,1370 0.178,1371 0.077,1372 11.764,1373 5.109,1374 9.72,1375 0.112,1376 0.041,1377 9.72,1378 3.537,1379 8.197,1380 0.071,1381 0.022,1382 8.197,1383 2.545,1384 0.326,1385 94.725,1386 0.211,1387 28.297,1388 0.638,1389 164,1390 499.394,1391 179.848,1392 479.728,1393 658.96,1394 450,1395 196,1396 486.405,1397 213.069,1398 496.3,1399 725.02,1400 464,1401 5.375}
{0 CHEMBL1469311,1 1.629,2 10.88,3 3.239,4 10.49,5 93.989,6 7.759,7 0.462,8 3.866,9 3.982,10 3.441,11 3.386,12 5.104,13 3.373,14 4.352,15 4.511,16 3.768,17 3.736,18 5.686,19 3.701,20 4.601,21 4.796,22 3.845,23 3.843,24 5.812,25 3.809,26 4.668,27 4.866,28 3.868,29 3.793,30 6.01,31 3.778,32 4.658,33 4.851,34 3.709,35 3.705,36 6.041,37 3.688,38 4.461,39 4.662,40 3.646,41 3.652,42 5.94,43 3.592,44 4.389,45 4.587,46 3.443,47 3.644,48 5.513,49 3.55,50 4.417,51 4.661,52 3.44,53 3.54,54 5.642,55 3.45,56 0.156,57 0.63,58 8.217,59 3.832,60 7.958,61 4.889,62 0.31,63 0.947,64 15.027,65 6.415,66 54.172,67 8.543,68 0.352,69 1.148,70 21.056,71 7.432,72 54.395,73 10.026,74 0.448,75 1.157,76 23.348,77 7.493,78 56.415,79 9.977,80 0.777,81 1.054,82 24.77,83 6.913,84 121.396,85 8.499,86 0.658,87 0.915,88 19.512,89 6.838,90 109.727,91 9.272,92 0.286,93 0.9,94 17.071,95 6.74,96 50.449,97 8.956,98 0.347,99 0.89,100 18.944,101 6.48,102 56.77,103 9.392,104 44,105 35,106 0.282,107 0.609,108 0.764,109 0.849,110 0.875,111 0.883,112 3.266,113 0.908,114 -4.59,115 -4.51,116 -4.25,120 40.9,121 2,122 2,143 7,144 2,145 3,159 2,167 2,174 9,176 1,177 4,180 2,182 6,185 9,189 10,194 5,197 5,201 14,205 1,206 5,209 5,213 1,214 5,217 1,219 1,222 8,226 2,227 2,230 4,232 2,235 11,240 2,245 3,247 8,251 1,252 7,257 3,260 5,264 6,267 1,269 1,271 4,274 916,275 16.422,276 16.422,277 16.422,278 16.422,279 16.422,280 14.343,281 21.119,282 9.835,283 16.537,284 12.768,285 12.768,286 12.768,287 12.768,288 12.768,289 9.614,290 29.422,291 4.551,292 12.922,293 3.83,294 1.938,295 1.044,296 0.551,297 0.398,298 0.352,299 3.926,305 1,306 1,307 1,308 550,309 3.937,313 182.266,320 1.734,321 37.008,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55.5,333 272,334 4.51,335 3.818,336 6.674,337 4.112,338 3.12,339 4.233,340 2.612,341 10.577,342 3.094,343 4.122,344 3.594,345 5.939,346 3.728,347 2.754,348 3.7,349 1.907,350 8.239,351 2.68,352 3.953,353 3.58,354 5.636,355 3.524,356 2.538,357 3.437,358 1.058,359 7.722,360 2.494,361 3.651,362 2.759,363 5.199,364 3.302,365 2.3,366 2.887,367 0.149,368 6.493,369 2.298,370 3.342,371 2.652,372 4.763,373 2.906,374 1.919,375 2.568,377 5.23,378 1.884,379 3.136,380 2.134,381 4.557,382 2.61,383 1.602,384 2.325,386 4.188,387 1.607,388 2.862,389 1.595,390 3.85,391 2.414,392 1.414,393 2.014,395 3.148,396 1.414,397 2.686,398 1.51,399 3.73,400 2.204,401 1.211,402 1.755,404 2.715,405 1.202,406 2.593,407 1.353,408 3.487,409 2.012,410 1,411 1.54,413 2.488,414 1.007,415 2.119,416 1.252,417 3.093,418 2.011,419 1,420 1.071,422 1.66,423 1.007,424 1.229,425 1,426 2.784,427 0.936,428 -0.044,429 -0.053,431 -0.109,432 -0.043,433 1.198,434 0.547,435 2.392,436 0.838,437 -0.138,438 -0.163,440 -0.316,441 -0.134,442 1.128,443 0.498,444 2.33,445 0.738,446 -0.277,447 -0.369,449 -0.667,450 -0.278,451 1,452 0.317,453 2.196,454 0.455,455 -0.598,456 -0.711,458 -0.997,459 -0.619,460 0.816,461 0.018,462 1.802,463 0.34,464 -0.67,465 -0.963,467 -1.631,468 -0.674,469 11.533,470 0.461,471 0.668,472 0.027,473 34.25,474 1.37,475 19,476 0.76,477 15.25,478 0.61,479 17.719,480 0.709,481 27.467,482 0.624,483 26.851,484 1.074,485 6.807,486 0.272,487 5.111,488 0.204,489 0.202,491 0.338,496 0.471,497 1.164,498 0.742,499 1.023,500 0.512,501 0.955,502 0.409,503 1.234,504 0.722,505 1.124,506 0.424,507 1.022,508 0.907,509 1.183,510 0.904,511 1.053,512 0.804,513 0.981,514 1.14,515 1.168,516 0.961,517 1.099,518 1.025,519 0.996,520 1.802,521 0.754,522 1.313,523 0.781,524 1.826,525 0.903,526 0.622,527 0.832,528 0.845,529 0.887,530 0.721,531 0.922,532 0.814,533 1.175,534 1.097,535 1.211,536 0.829,537 1.227,538 0.538,539 1.12,540 0.823,541 1.094,542 0.422,543 1.028,544 5.5,545 0.112,546 2.667,547 2.313,548 1.196,549 0.903,550 0.387,551 0.365,552 0.238,553 0.19,554 6550,555 21736,556 1.928,557 43.2,558 8,559 7,562 2,563 2,567 1.68,568 1.765,569 3.41,570 0.312,571 1,572 1,574 1,575 71.691,576 1.629,577 3.521,578 4.416,579 4.908,580 5.061,581 5.107,582 2.908,583 4.404,584 4.614,585 3.567,586 1070.23,587 7.978,588 13227.2,590 1,592 1,593 240.215,594 1.541,595 4.546,596 0.212,597 0.007,598 0.076,599 0.063,600 0.033,601 0.03,602 0.013,603 0.015,604 0.01,605 0.011,606 0.47,607 0.17,608 1,609 1.529,610 121.685,611 0.125,612 0.065,613 0.025,614 0.058,615 -0.02,616 0.019,617 0.247,618 -0.136,619 0.123,620 -0.061,621 0.188,622 -0.015,623 -0.093,624 -0.13,625 0.015,626 -0.06,627 -0.051,628 -0.004,629 -0.113,630 -0.15,631 0.012,632 -0.148,633 -0.029,634 -0.051,635 -0.367,636 0.221,637 -0.267,638 0.127,639 -0.335,640 -0.014,641 0.335,642 0.141,643 0.124,644 0.114,645 0.256,646 0.07,647 -0.093,648 -0.175,649 -0.195,650 -0.169,651 -0.114,652 -0.204,653 0.15,654 -0.16,655 0.142,656 -0.107,657 0.197,659 2.518,660 5.425,661 0.48,662 22.157,663 1.016,664 1.129,665 3.362,666 11.304,667 0.657,668 3.296,669 3.584,670 3.784,671 3.989,672 4.078,673 4.078,674 4.094,675 4.159,676 4.06,677 4.143,678 6.395,679 0.639,680 341.4,681 3.296,682 4.812,683 5.631,684 6.491,685 7.327,686 8.192,687 9.036,688 9.904,689 10.752,690 11.621,691 6.8,698 2,702 1,709 7,714 5,716 12,723 1,731 1,738 44,739 16,740 2,741 26,743 45,744 18,745 12,746 5,747 7,748 1,752 2,753 2,759 2,766 2,768 14,769 4,772 4,775 1,778 4,782 2,785 1,786 1,789 19,790 6,791 2,792 7,797 3,803 1,804 4,823 2,838 1,855 2,859 2,862 25,869 2,871 2,886 9.1,889 2,892 2,893 14.167,894 8.45,895 5.694,896 2.707,898 2.491,899 1.374,900 0.938,901 6.259,902 9.158,903 3.611,904 4.174,905 4.644,906 5.17,907 5.597,908 5.735,909 5.957,910 6.199,911 6.177,912 6.58,913 1,914 37,915 9.253,917 3.889,918 8.207,919 16.903,921 13.138,924 2.707,925 67.667,928 1,929 200.109,930 113.104,931 41.692,933 101.037,936 113.104,937 301.146,938 41.692,939 23.32,940 41.091,941 66.334,942 59.699,943 14.641,945 200.109,946 50.747,947 200.109,948 154.795,949 101.037,952 200.109,953 50.29,954 50.747,956 58.741,957 90.384,958 5.67,960 200.109,961 142.728,962 113.104,965 200.109,966 29.12,967 89.654,968 36.022,969 101.037,970 200.109,971 142.728,972 113.104,973 0.572,974 0.329,975 0.176,976 0.083,977 14,978 8,979 0.133,980 6,982 1,983 3.597,984 191.101,986 12,987 114.096,993 18.622,994 8.403,995 4.878,997 137.058,998 11.111,1003 1.498,1005 36.022,1006 455.941,1007 36,1010 -0.518,1013 46.054,1017 -0.543,1020 44.683,1021 49.654,1022 0.298,1023 0.645,1024 0.809,1025 0.899,1026 0.927,1027 0.935,1028 4.82,1029 1.211,1030 5.617,1031 3.148,1032 4.263,1033 4.86,1034 3.02,1035 6.399,1036 4.239,1037 6.032,1038 1,1039 7.166,1040 2.715,1041 3.892,1042 4.758,1043 2.675,1044 7.273,1045 3.862,1046 7.339,1047 1,1048 8.817,1049 2.488,1050 5.826,1051 7.028,1052 4.425,1053 10.352,1054 5.77,1055 8.681,1056 -0.044,1057 10.527,1058 1.66,1059 6.236,1060 7.694,1061 4.704,1062 12.04,1063 6.175,1064 10.051,1065 -0.138,1066 12.275,1067 -0.109,1068 7.675,1069 9.487,1070 6.09,1071 14.654,1072 7.591,1073 11.441,1074 -0.277,1075 14.05,1076 -0.316,1077 8.45,1078 10.514,1079 6.665,1080 16.696,1081 8.361,1082 12.848,1083 -0.598,1084 15.845,1085 -0.667,1086 9.687,1087 12.11,1088 7.871,1089 19.145,1090 9.581,1091 3.12,1092 -0.67,1093 17.655,1094 -0.997,1095 10.638,1096 13.321,1097 8.607,1098 21.351,1099 10.526,1100 2.754,1101 10.577,1102 19.479,1103 -1.631,1104 11.794,1105 14.827,1106 9.711,1107 23.74,1108 11.67,1109 2.538,1110 8.239,1111 21.313,1112 4.233,1113 12.83,1114 16.135,1115 10.54,1116 26.023,1117 12.699,1118 2.3,1119 7.722,1120 23.156,1121 3.7,1122 13.957,1123 17.6,1124 11.586,1125 28.39,1126 13.817,1127 1.919,1128 6.493,1129 25.006,1130 3.437,1131 15.035,1132 18.962,1133 12.469,1134 30.711,1135 14.888,1136 1.602,1137 5.23,1138 26.863,1139 2.887,1140 16.154,1141 20.408,1142 13.48,1143 33.07,1144 15.999,1145 1.414,1146 4.188,1147 28.725,1148 2.568,1149 17.254,1150 21.801,1151 14.395,1152 35.41,1153 17.094,1154 6745,1155 12450,1156 16.414,1157 28.926,1158 38.251,1159 40.425,1160 40.193,1161 37.726,1162 37.717,1163 51.06,1164 11.454,1165 104.921,1166 37.374,1167 5.37,1168 5.818,1169 6.446,1170 5.133,1171 5.12,1172 7.233,1173 4.612,1174 17.845,1175 5.094,1176 15.713,1177 1.471,1178 1.555,1179 1.546,1180 1.451,1181 1.451,1182 1.964,1183 0.441,1184 4.035,1185 1.437,1186 4.033,1187 4.058,1188 3.998,1189 3.923,1190 7.815,1191 3.933,1192 3.914,1193 3.947,1194 3.86,1195 3.822,1196 7.431,1197 3.824,1198 3.673,1199 3.728,1200 3.565,1201 3.515,1202 7.427,1203 3.51,1204 3.538,1205 3.557,1206 3.504,1207 3.166,1208 6.999,1209 3.239,1210 3.291,1211 3.353,1212 3.195,1213 3.042,1214 4.769,1215 3.055,1216 3.208,1217 3.264,1218 3.073,1219 3.006,1220 4.649,1221 3.011,1222 3.156,1223 3.237,1224 2.943,1225 2.865,1226 4.114,1227 2.909,1228 2.846,1229 2.927,1230 2.686,1231 2.694,1232 3.975,1233 2.683,1234 0.173,1235 0.147,1236 0.257,1237 0.158,1238 0.12,1239 4.51,1240 0.163,1241 3.818,1242 0.1,1243 6.674,1244 0.407,1245 4.112,1246 0.119,1247 3.12,1248 4.233,1249 2.612,1250 10.577,1251 3.094,1252 1.96,1253 1.938,1254 2.048,1255 2.105,1256 1.182,1257 2.076,1258 1.885,1259 1.856,1260 1.996,1261 2.009,1262 1.169,1263 2.003,1264 1.66,1265 1.601,1266 1.92,1267 1.847,1268 1.068,1269 1.87,1270 1.289,1271 1.263,1272 1.553,1273 1.701,1274 0.604,1275 1.594,1276 1.212,1277 1.142,1278 1.47,1279 1.498,1280 0.552,1281 1.482,1282 1.185,1283 1.12,1284 1.359,1285 1.418,1286 0.34,1287 1.468,1288 1.053,1289 0.999,1290 1.211,1291 1.389,1292 0.23,1293 1.359,1294 0.86,1295 0.789,1296 1.17,1297 1.088,1298 0.171,1299 1.127,1300 3.97,1302 5.263,1304 6.746,1306 8.322,1308 9.945,1310 3.45,1315 1.164,1317 5.45,1326 28.138,1327 71.691,1328 154.938,1329 194.299,1330 215.95,1331 222.705,1332 224.705,1333 73.531,1334 6.667,1335 104.02,1336 104.02,1337 12,1338 12.169,1339 4.087,1340 3.459,1341 51.737,1342 96,1343 106,1344 0.267,1345 178.667,1346 317.84,1347 427.708,1348 6322,1350 18.397,1351 0.736,1352 0.561,1353 18.397,1354 14.036,1355 11.918,1356 0.458,1357 0.303,1358 7.768,1359 11.405,1360 7.543,1361 6.356,1362 11.918,1363 7.873,1364 10.603,1365 0.303,1366 0.158,1367 10.603,1368 5.54,1369 8.127,1370 0.189,1371 0.084,1372 8.127,1373 3.628,1374 6.886,1375 0.13,1376 0.045,1377 6.886,1378 2.391,1379 4.556,1380 0.079,1381 0.023,1382 4.556,1383 1.338,1384 0.421,1385 75.377,1386 0.247,1387 24.409,1388 0.723,1389 122,1390 441.253,1391 136.713,1392 422.058,1393 549.89,1394 386,1395 139,1396 393.145,1397 152.47,1398 391.699,1399 560.36,1400 366,1401 4.688}
{0 CHEMBL1469415,1 1.476,2 5.824,3 1.498,4 2.245,5 65.382,6 8.232,7 0.842,8 3.419,9 3.522,10 3.077,11 3.084,12 4.656,13 3.068,14 3.86,15 3.98,16 3.432,17 3.476,18 5.123,19 3.441,20 4.096,21 4.244,22 3.515,23 3.62,24 5.256,25 3.566,26 4.129,27 4.294,28 3.455,29 3.559,30 5.319,31 3.496,32 4.119,33 4.321,34 3.304,35 3.385,36 5.361,37 3.319,38 3.929,39 4.163,40 2.812,41 2.994,42 5.191,43 2.893,44 3.528,45 3.837,46 1.907,47 2.333,48 4.691,49 2.129,50 2.569,51 2.978,52 0.356,53 1.265,54 2.996,55 0.936,56 0.022,57 0.362,58 4.234,59 2.135,60 6.784,61 2.521,62 0.078,63 0.557,64 7.113,65 3.575,66 18.362,67 4.396,68 0.07,69 0.688,70 10.153,71 4.892,72 19.51,73 5.984,74 0.053,75 0.725,76 10.811,77 5.036,78 18.032,79 6.259,80 0.088,81 0.733,82 12.12,83 4.944,84 23.25,85 6.194,86 0.14,87 0.609,88 11.159,89 4.031,90 32.496,91 4.869,92 0.216,93 0.413,94 9.213,95 2.946,96 37.52,97 3.878,98 0.052,99 0.152,100 4.211,101 1.309,102 8.739,103 2.019,104 6,105 27,106 0.281,107 0.543,108 0.74,109 0.85,110 0.878,111 0.892,112 2.912,113 0.841,114 -3.42,115 -3.4,116 -3.26,120 51.9,143 6,144 5,146 2,159 1,164 1,165 1,166 1,174 12,177 3,179 1,180 1,182 1,185 16,187 1,189 4,194 2,197 14,199 2,201 6,206 3,209 8,211 3,214 7,219 4,222 4,224 4,227 2,232 1,235 1,237 1,239 1,242 1,243 1,274 232,275 11.621,276 11.621,277 11.621,278 11.621,279 11.621,280 9.665,281 2.824,282 6.886,283 11.665,284 9.394,285 9.394,286 9.394,287 9.394,288 9.394,289 6.46,290 2.351,291 3.241,292 9.451,293 3.279,294 1.908,295 0.871,296 0.296,297 0.148,298 0.074,299 3.59,306 1,307 1,308 214,309 2.345,313 83.429,317 93.899,320 0.796,321 14.006,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 36,333 99,334 4.731,335 3.558,336 6.882,337 4.257,338 3.257,339 4.797,340 0.98,341 11.518,342 3.258,343 4.055,344 3.1,345 6.144,346 3.624,347 2.62,348 3.73,350 8.803,351 2.626,352 3.77,353 2.431,354 5.568,355 3.309,356 2.305,357 3.275,359 7.108,360 2.311,361 3.108,362 1.98,363 4.55,364 2.614,365 1.604,366 2.34,368 4.241,369 1.613,370 2.974,371 1.499,372 3.893,373 2.441,374 1.471,375 2.194,377 3.182,378 1.433,379 2.899,380 1.429,381 3.681,382 2.368,383 1.393,384 2.066,386 3.085,387 1.345,388 2.5,389 1,390 3.542,391 1.992,392 1,393 1.5,395 2.449,396 0.991,397 2.266,398 0.938,399 3.387,400 1.749,401 0.748,402 1.107,404 1.844,405 0.744,406 1.21,407 0.151,408 2.649,409 0.708,410 -0.282,411 -0.406,413 -0.721,414 -0.277,415 1.077,416 -0.285,417 2.495,418 0.568,419 -0.423,420 -0.634,422 -1.093,423 -0.418,424 0.61,425 -0.423,426 2,427 0.1,428 -0.891,429 -1.271,431 -2,432 -0.874,433 0.5,434 -0.887,435 2,436 0.046,437 -1,438 -1.379,440 -2.169,441 -0.976,442 0.468,443 -1,444 1.772,445 -0.027,446 -1,447 -1.5,449 -2.449,450 -1.026,451 0.192,452 -1.158,453 1.455,454 -0.211,455 -1.203,456 -1.721,458 -3.391,459 -1.211,460 -0.283,461 -1.742,462 1.254,463 -0.778,464 -1.775,465 -2.42,467 -5.267,468 -1.77,469 8.133,470 0.478,471 0.401,472 0.024,473 26,474 1.529,475 15.5,476 0.912,477 10.5,478 0.618,479 8.963,480 0.527,481 16.467,482 0.61,483 16.433,484 0.967,485 5.29,486 0.311,487 2.981,488 0.175,489 0.09,491 0.369,496 0.715,497 0.866,498 0.705,499 0.749,500 0.7,501 0.719,502 0.532,503 0.839,504 0.768,505 0.847,506 0.47,507 0.84,508 0.848,509 0.924,510 0.896,511 0.947,512 0.872,513 0.939,514 0.854,515 1.19,516 0.998,517 1.178,518 0.89,519 1.127,520 1.118,521 1.245,522 1.044,523 1.179,524 1.065,525 1.115,526 1.673,527 1.235,528 1.366,529 1.218,530 1.668,531 1.242,532 1.446,533 0.64,534 1.303,535 0.824,536 1.651,537 1.006,538 0.531,539 0.295,540 0.684,541 0.379,542 0.25,543 0.496,544 2.5,546 2,547 1.313,548 1.28,549 0.563,550 0.241,551 0.056,554 2073,555 6071,556 2.127,557 37,559 6,561 2,562 2,567 1.58,568 2,569 2.596,570 0.353,574 1,575 39.86,576 1.476,577 2.847,578 3.884,579 4.459,580 4.607,581 4.681,582 1.809,583 3.97,584 4.063,585 2.623,586 356.662,587 6.918,588 3154.54,590 1,592 1,593 128.382,594 1.379,595 4.023,596 0.132,598 0.074,599 0.045,600 0.049,601 0.027,602 0.022,603 0.019,606 0.367,607 1,608 1,609 0.844,610 67.415,611 -0.096,612 0.139,613 0.008,614 0.122,615 -0.13,616 0.094,617 0.111,618 0.126,619 -0.01,620 0.058,621 0.126,622 0.018,623 -0.081,624 -0.011,625 -0.053,626 0.003,627 -0.072,628 -0.019,629 -0.034,630 -0.262,631 -0.114,632 -0.234,633 -0.048,634 -0.197,635 -0.049,636 -0.279,637 -0.047,638 -0.222,639 0.005,640 -0.15,641 -0.235,642 -0.24,643 -0.259,644 -0.247,645 -0.181,646 -0.254,647 0.089,648 0.373,649 0.003,650 0.234,651 -0.097,652 0.124,653 0.154,654 0.664,655 0.811,656 0.826,657 0.224,658 0.911,659 2.07,660 4.465,661 0.824,662 8.45,663 1.002,664 1.106,665 2.194,666 4.816,667 0.723,668 2.996,669 3.332,670 3.664,671 3.989,672 4.29,673 4.331,674 4.419,675 4.407,676 4.382,677 4.078,678 3.71,679 0.699,680 222.26,681 2.996,682 4.533,683 5.407,684 6.308,685 7.209,686 8.118,687 9.025,688 9.936,689 10.845,690 11.757,691 7.4,698 1,701 1,708 4,709 8,710 1,714 1,716 16,722 1,738 27,739 17,740 2,741 19,743 29,744 14,745 13,746 5,747 5,748 1,752 3,753 6,768 14,772 1,778 1,782 1,786 1,789 10,790 3,791 2,792 3,797 2,803 0.333,804 1,816 1,823 3,827 2,855 1,862 17,863 1,886 3.7,889 1,893 8.5,894 4.867,895 3.722,896 1.515,898 3.625,899 1.549,900 1.058,901 2.135,902 10.226,903 3.367,904 4.069,905 4.799,906 5.524,907 6.224,908 6.644,909 7.134,910 7.539,911 7.926,912 7.98,913 0.75,914 29,915 6.237,917 2.699,918 7.853,919 11.76,921 9.783,924 2.353,925 40,926 0.001,929 94.169,930 93.134,931 49.683,933 25.145,936 93.134,937 119.314,938 49.683,940 32.897,941 56.857,942 70.177,943 31.572,945 70.627,947 94.169,948 142.817,949 25.145,952 94.169,953 25.145,956 50.992,957 75.04,958 16.786,960 94.169,961 74.828,962 93.134,965 94.169,966 18.182,967 74.952,969 74.828,970 94.169,971 74.828,972 93.134,973 0.581,974 0.351,975 0.209,976 0.125,977 15,978 6,979 0.034,980 1,981 2,982 1.286,983 2.866,984 127.82,985 0.286,986 14,987 69.487,993 9.943,994 3.651,995 1.486,996 3.896,997 74.828,998 14.949,999 4.121,1003 0.555,1005 32.897,1006 262.131,1007 28,1013 11.465,1017 -0.403,1020 27.065,1021 29.867,1022 0.31,1023 0.599,1024 0.817,1025 0.938,1026 0.969,1027 0.984,1028 4.575,1029 0.748,1030 5.398,1031 2.449,1032 4.007,1033 4.754,1034 1.072,1035 6.263,1036 4,1037 5.823,1038 -0.282,1039 6.986,1040 1.844,1041 3.611,1042 4.677,1044 7.29,1045 3.624,1046 7.159,1047 -0.423,1048 8.683,1049 -0.721,1050 5.631,1051 7.144,1052 1.045,1053 10.452,1054 5.625,1055 8.54,1056 -0.891,1057 10.446,1058 -1.093,1059 6.089,1060 7.947,1062 12.322,1063 6.102,1064 9.957,1065 -1,1066 12.25,1067 -2,1068 7.585,1069 9.867,1070 1.019,1071 15.003,1072 7.583,1073 11.401,1074 -1,1075 14.082,1076 -2.169,1077 8.438,1078 11.086,1080 17.204,1081 8.449,1082 12.866,1083 -1.203,1084 15.932,1085 -2.449,1086 9.726,1087 12.784,1088 0.993,1089 19.725,1090 9.728,1091 3.257,1092 -1.775,1093 17.797,1094 -3.391,1095 10.759,1096 14.196,1098 22.063,1099 10.768,1100 2.62,1101 11.518,1102 19.672,1103 -5.267,1104 11.968,1105 15.807,1106 0.967,1107 24.531,1108 11.972,1109 2.305,1110 8.803,1111 21.554,1112 4.797,1113 13.081,1114 17.305,1116 26.926,1117 13.088,1118 1.604,1119 7.108,1120 23.443,1121 3.73,1122 14.264,1123 18.885,1124 0.942,1125 29.376,1126 14.269,1127 1.471,1128 4.241,1129 25.338,1130 3.275,1131 15.412,1132 20.421,1134 31.798,1135 15.418,1136 1.393,1137 3.182,1138 27.236,1139 2.34,1140 16.588,1141 21.99,1142 0.917,1143 34.242,1144 16.593,1145 1,1146 3.085,1147 29.139,1148 2.194,1149 17.752,1150 23.543,1152 36.675,1153 17.758,1154 2062,1155 3587,1156 12.83,1157 19.512,1158 29.028,1159 29.52,1160 29.82,1161 28.792,1162 28.796,1163 42.016,1164 1.96,1165 84.458,1166 28.643,1167 5.309,1168 5.558,1169 6.568,1170 5.294,1171 5.257,1172 7.797,1173 1.96,1174 19.099,1175 5.258,1176 6.558,1177 1.528,1178 1.554,1179 1.569,1180 1.515,1181 1.516,1182 2.211,1183 0.103,1184 4.445,1185 1.508,1186 4.174,1187 4.191,1188 4.144,1189 4.137,1190 7.437,1191 4.136,1192 3.7,1193 3.739,1194 3.634,1195 3.617,1196 5.025,1197 3.616,1198 3.496,1199 3.532,1200 3.439,1201 3.321,1202 4.872,1203 3.343,1204 3.049,1205 3.124,1206 2.949,1207 2.916,1208 4.663,1209 2.905,1210 2.985,1211 3.037,1212 2.873,1213 2.757,1214 4.15,1215 2.795,1216 2.8,1217 2.868,1218 2.671,1219 2.665,1220 3.784,1221 2.659,1222 2.47,1223 2.543,1224 2.311,1225 2.353,1226 3.669,1227 2.335,1228 2.361,1229 2.46,1230 2.14,1231 2.066,1232 3.195,1233 2.069,1234 0.249,1235 0.187,1236 0.362,1237 0.224,1238 0.171,1239 4.731,1240 0.252,1241 3.558,1242 0.052,1243 6.882,1244 0.606,1245 4.257,1246 0.171,1247 3.257,1248 4.797,1249 0.98,1250 11.518,1251 3.258,1252 2.152,1253 2.138,1254 2.208,1255 2.203,1256 1.382,1257 2.205,1258 1.693,1259 1.659,1260 1.823,1261 1.805,1262 0.874,1263 1.813,1264 1.411,1265 1.381,1266 1.538,1267 1.645,1268 0.53,1269 1.612,1270 1.016,1271 0.971,1272 1.229,1273 1.25,1274 0.319,1275 1.251,1276 0.938,1277 0.864,1278 1.21,1279 1.137,1280 0.117,1281 1.17,1282 0.807,1283 0.743,1284 1.079,1285 0.992,1287 1.026,1288 0.5,1289 0.435,1290 0.814,1291 0.691,1293 0.734,1294 0.301,1295 0.193,1296 0.637,1297 0.66,1299 0.644,1300 3.664,1302 4.99,1304 6.55,1306 8.22,1308 9.95,1313 5.416,1326 18.865,1327 39.86,1328 76.872,1329 104.872,1330 120.382,1331 124.382,1332 126.382,1333 20.95,1334 6.601,1335 55.98,1336 55.98,1337 18,1338 12.271,1339 4.17,1340 3.322,1341 23.422,1342 40,1343 28,1344 0.327,1345 117.049,1346 190.65,1347 277.359,1348 5351,1350 11.828,1351 0.696,1352 0.532,1353 11.828,1354 9.052,1355 8.271,1356 0.435,1357 0.28,1358 5.284,1359 8.086,1360 5.166,1361 4.283,1362 8.271,1363 5.325,1364 7.464,1365 0.276,1366 0.146,1367 7.464,1368 3.931,1369 6.374,1370 0.168,1371 0.077,1372 6.374,1373 2.928,1374 5.635,1375 0.106,1376 0.04,1377 5.635,1378 2.146,1379 5.004,1380 0.069,1381 0.022,1382 5.004,1383 1.555,1384 0.469,1385 50.991,1386 0.279,1387 16.374,1388 1.041,1389 92,1390 254.693,1391 96.629,1392 255.291,1393 352.09,1394 238,1395 111,1396 260.594,1397 114.993,1398 269.216,1399 393.79,1400 254,1401 5.367}
{0 CHEMBL1469517,1 1.722,2 8.611,3 3.075,4 9.457,5 74.801,6 9.974,7 0.632,8 3.541,9 3.641,10 3.348,11 3.1,12 4.732,13 3.08,14 3.994,15 4.143,16 3.73,17 3.437,18 5.13,19 3.391,20 4.168,21 4.328,22 3.818,23 3.511,24 5.361,25 3.443,26 4.2,27 4.393,28 3.445,29 3.383,30 5.326,31 3.29,32 4.172,33 4.412,34 3.306,35 3.277,36 5.164,37 3.158,38 3.981,39 4.228,40 3.256,41 3.199,42 4.984,43 3.068,44 3.847,45 4.075,46 3.226,47 3.084,48 4.941,49 2.972,50 3.63,51 3.83,52 3.263,53 2.921,54 4.707,55 2.798,56 0.065,57 0.421,58 3.804,59 2.739,60 7.895,61 3.138,62 0.183,63 0.641,64 9.187,65 4.496,66 14.127,67 5.138,68 0.28,69 0.73,70 20.046,71 5.66,72 24.999,73 6.56,74 0.329,75 0.727,76 16.253,77 5.493,78 34.556,79 6.32,80 0.375,81 0.676,82 17.404,83 5.505,84 36.669,85 6.929,86 0.209,87 0.579,88 17.708,89 5.097,90 22.546,91 6.561,92 0.226,93 0.495,94 19.663,95 4.445,96 21.671,97 5.287,98 0.143,99 0.38,100 9.476,101 3.632,102 16.713,103 4.165,104 11,105 25,106 0.328,107 0.694,108 0.831,109 0.903,110 0.903,111 0.903,112 2.959,113 0.979,114 -3.72,115 -3.69,116 -3.51,118 1,120 41.9,125 1,126 1,143 5,144 1,145 3,146 1,148 1,174 4,177 2,180 1,182 3,185 3,189 4,192 1,194 4,197 2,201 2,205 1,206 2,209 1,214 1,217 1,219 2,222 2,227 1,230 1,232 1,235 2,239 1,240 2,245 1,247 3,252 1,260 2,269 1,271 1,274 352,275 12.146,276 12.146,277 12.146,278 12.146,279 12.146,280 10.566,281 14.947,282 7.206,283 12.631,284 9.272,285 9.272,286 9.272,287 9.272,288 9.272,289 6.961,290 19.972,291 3.314,292 10.058,293 3.233,294 1.314,295 0.592,296 0.218,297 0.218,298 0.218,299 3.616,305 1,306 1,307 1,308 320,309 2.345,313 122.321,320 1.21,321 15.749,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 38.75,333 155,334 4.337,335 3.262,336 6.392,337 3.938,338 2.977,339 3.996,340 0.86,341 9.653,342 2.856,343 4.009,344 2.922,345 5.423,346 3.532,347 2.613,348 3.613,349 0.657,350 7.172,351 2.389,352 3.453,353 2.606,354 5.171,355 3.063,356 2.158,357 2.73,359 6.129,360 1.961,361 3.317,362 2.356,363 4.88,364 2.891,365 1.986,366 2.575,368 5.641,369 1.665,370 2.867,371 1.639,372 3.919,373 2.393,374 1.414,375 2.03,377 3.194,378 1.38,379 2.5,380 1.392,381 3.414,382 1.96,383 1,384 1.5,386 2.275,387 0.957,388 2.036,389 1,390 3.349,391 1.809,392 0.921,393 0.997,395 2.032,396 0.802,397 1.704,398 0.942,399 2.873,400 1.41,401 0.533,402 0.605,404 0.956,405 0.457,406 1.246,407 0.529,408 2.461,409 0.877,415 0.936,416 0.213,417 2.198,418 0.528,419 -0.312,420 -0.368,422 -0.614,423 -0.219,424 0.693,425 -0.304,426 2,427 0.274,428 -0.643,429 -0.809,431 -1.395,432 -0.553,433 0.5,434 -0.708,435 1.844,436 -0.025,437 -1,438 -1.325,440 -2.82,441 -0.843,442 0.066,443 -1,444 1.596,445 -0.313,446 -1.134,447 -1.5,449 -3,450 -0.972,451 -0.099,452 -1.029,453 1.29,454 -0.483,455 -1.414,456 -1.716,458 -3.788,459 -1.273,460 -0.215,461 -1.267,462 0.951,463 -0.698,464 -1.478,465 -1.94,467 -4,468 -1.345,469 9.3,470 0.517,471 0.383,472 0.021,473 24.75,474 1.375,475 13.5,476 0.75,477 11.25,478 0.625,479 12.091,480 0.672,481 18.9,482 0.61,483 14.671,484 0.815,485 4.961,486 0.276,487 3.742,488 0.208,489 0.233,491 0.269,496 0.964,497 1.22,498 0.492,499 0.797,500 0.984,501 0.825,502 1.086,503 0.987,504 0.599,505 0.729,506 0.797,507 0.797,508 0.884,509 1.3,510 1.019,511 1.167,512 0.826,513 1.099,514 1.362,515 1.14,516 0.647,517 0.96,518 1.56,519 1.143,520 1.123,521 0.889,522 0.363,523 0.707,524 1.4,525 0.909,526 0.601,527 0.934,528 0.638,529 0.829,530 0.545,531 0.89,532 0.935,533 0.753,534 1.074,535 0.917,536 0.964,537 0.876,538 1.181,539 0.946,540 0.807,541 0.852,542 1.26,543 0.937,544 3.5,545 0.041,546 2.222,547 0.938,548 0.836,549 0.41,550 0.204,551 0.189,552 0.139,553 0.076,554 2783,555 9775,556 1.994,557 41.9,559 10,561 1,562 2,567 1.583,568 1.862,569 3.1,570 0.429,572 1,574 1,575 53.369,576 1.722,577 3.64,578 4.362,579 4.736,580 4.736,581 4.736,582 2.483,583 3.572,584 4.144,585 3.199,586 489.448,587 7.011,588 4704.6,589 1,590 1,591 1,592 1,593 153.58,594 1.415,595 4.096,596 0.184,597 0.014,598 0.089,599 0.038,600 0.046,601 0.027,602 0.014,603 0.014,604 0.013,605 0.011,606 0.449,607 0.5,608 1,609 0.894,610 77.286,611 -0.123,612 -0.1,613 -0.005,614 0.001,615 -0.158,616 0.016,617 -0.122,618 0.092,619 0.02,620 0.108,621 -0.055,622 0.076,623 0.095,624 -0.273,625 -0.071,626 -0.226,627 0.129,628 -0.183,629 -0.2,630 -0.136,631 -0.079,632 -0.149,633 -0.225,634 -0.263,635 -0.062,636 0.033,637 0.053,638 0.087,639 -0.181,640 0.035,641 0.122,642 0.003,643 0.034,644 0.057,645 0.198,646 0.113,647 0.002,648 0.214,649 -0.065,650 0.061,651 0.038,652 0.113,653 -0.12,654 -0.044,655 0.065,656 0.108,657 -0.125,658 0.046,659 1.51,660 3.918,661 0.667,662 11.556,663 1.013,664 1.121,665 2.491,666 6.205,667 0.705,668 2.996,669 3.258,670 3.466,671 3.584,672 3.738,673 3.584,674 3.526,675 3.555,676 3.611,677 3.555,678 5.065,679 0.666,680 309.18,681 2.996,682 4.489,683 5.303,684 6.138,685 6.967,686 7.803,687 8.637,688 9.475,689 10.311,690 11.149,691 6.5,696 1,701 1,709 6,710 1,714 5,716 12,729 1,734 1,735 1,737 1,738 31,739 12,740 1,741 19,742 1,743 32,744 13,745 11,746 3,747 3,752 2,753 2,768 11,769 2,785 1,786 1,789 13,790 4,791 2,792 5,793 1,797 2,803 1,804 2,816 1,823 2,855 2,858 1,859 1,862 18,868 1,869 1,871 1,872 1,885 1,886 6.5,888 1,891 1,893 9.667,894 5.71,895 4.139,896 1.598,898 2.201,899 1.366,900 0.936,901 4.443,902 8.217,903 3.258,904 3.829,905 4.344,906 4.79,907 5.267,908 5.128,909 5.167,910 5.418,911 5.822,912 6.124,913 0.833,914 25,915 6.589,917 2.657,918 7.81,919 12.395,921 9.508,924 2.31,925 41.583,926 0.001,929 129.482,930 83.229,931 80.75,933 53.683,936 129.184,937 183.165,938 34.796,939 10.883,940 2.106,941 47.381,942 89.251,943 31.531,944 2.328,945 117.711,946 45.954,947 129.482,948 118.026,949 53.683,951 45.954,952 129.482,953 53.683,956 11.153,957 72.076,958 34.796,959 45.954,960 129.482,961 88.48,962 129.184,965 129.482,966 15.918,967 67.312,968 63.965,969 70.469,970 129.482,971 88.48,972 129.184,973 0.569,974 0.336,975 0.164,976 0.086,977 11,978 5,979 0.125,980 4,982 1,983 3.071,984 118.846,986 12,987 75.059,993 13.179,994 6.068,995 3.375,997 88.48,998 10.876,999 4.195,1003 3.069,1005 60.694,1006 347.145,1007 25,1020 31.389,1021 34.748,1022 0.347,1023 0.735,1024 0.88,1025 0.956,1026 0.956,1027 0.956,1028 4.443,1029 0.533,1030 5.263,1031 2.032,1032 3.932,1033 4.511,1034 1.207,1035 5.999,1036 3.783,1037 5.633,1039 6.786,1040 0.956,1041 3.434,1042 4.227,1044 6.797,1045 3.147,1046 6.92,1047 -0.312,1048 8.408,1050 5.46,1051 6.671,1052 0.903,1053 9.819,1054 5.2,1055 8.245,1056 -0.643,1057 10.088,1058 -0.614,1059 5.771,1060 7.17,1062 11.433,1063 5.395,1064 9.598,1065 -1,1066 11.805,1067 -1.395,1068 7.253,1069 9.09,1070 0.678,1071 13.981,1072 6.902,1073 10.971,1074 -1.134,1075 13.548,1076 -2.82,1077 7.948,1078 9.967,1080 15.943,1081 7.508,1082 12.36,1083 -1.414,1084 15.312,1085 -3,1086 9.199,1087 11.644,1088 0.512,1089 18.327,1090 8.766,1091 2.977,1092 -1.478,1093 17.09,1094 -3.788,1095 10.085,1096 12.726,1098 20.449,1099 9.585,1100 2.613,1101 9.653,1102 18.881,1103 -4,1104 11.235,1105 14.273,1106 0.387,1107 22.767,1108 10.727,1109 2.158,1110 7.172,1111 20.682,1112 3.996,1113 12.216,1114 15.474,1116 24.965,1117 11.655,1118 1.986,1119 6.129,1120 22.492,1121 3.613,1122 13.323,1123 16.947,1124 0.293,1125 27.255,1126 12.743,1127 1.414,1128 5.641,1129 24.309,1130 2.73,1131 14.353,1132 18.218,1134 29.488,1135 13.728,1136 1,1137 3.194,1138 26.133,1139 2.575,1140 15.443,1141 19.648,1142 0.221,1143 31.766,1144 14.791,1145 0.921,1146 2.275,1147 27.961,1148 2.03,1149 16.498,1150 20.961,1152 34.017,1153 15.805,1154 2838,1155 5404,1156 12.425,1157 21.841,1158 27.393,1159 28.05,1160 28.737,1161 27.426,1162 27.207,1163 36.096,1164 3.035,1165 74.102,1166 24.936,1167 5.165,1168 5.262,1169 5.987,1170 4.981,1171 4.977,1172 6.996,1173 1.72,1174 16.409,1175 4.856,1176 8.867,1177 1.442,1178 1.476,1179 1.512,1180 1.443,1181 1.432,1182 1.9,1183 0.16,1184 3.9,1185 1.312,1186 3.956,1187 3.984,1188 6.88,1189 3.865,1190 6.468,1191 3.868,1192 3.837,1193 3.866,1194 3.893,1195 3.762,1196 4.908,1197 3.752,1198 3.335,1199 3.397,1200 3.705,1201 3.14,1202 4.77,1203 3.137,1204 3.19,1205 3.268,1206 3.166,1207 2.95,1208 4.374,1209 2.95,1210 2.912,1211 2.941,1212 2.986,1213 2.807,1214 4.073,1215 2.765,1216 2.813,1217 2.875,1218 2.755,1219 2.636,1220 3.829,1221 2.633,1222 2.736,1223 2.812,1224 2.627,1225 2.537,1226 3.614,1227 2.543,1228 2.498,1229 2.574,1230 2.543,1231 2.291,1232 3.352,1233 2.266,1234 0.228,1235 0.172,1236 0.336,1237 0.207,1238 0.157,1239 4.337,1240 0.21,1241 3.262,1242 0.045,1243 6.392,1244 0.508,1245 3.938,1246 0.15,1247 2.977,1248 3.996,1249 0.86,1250 9.653,1251 2.856,1252 1.905,1253 1.884,1254 2.004,1255 2.024,1256 1.15,1257 2.019,1258 1.798,1259 1.769,1260 1.867,1261 1.916,1262 0.939,1263 1.914,1264 1.282,1265 1.219,1266 1.585,1267 1.552,1268 0.666,1269 1.563,1270 1.161,1271 1.082,1272 1.475,1273 1.425,1274 0.56,1275 1.452,1276 0.848,1277 0.811,1278 1.068,1279 1.12,1280 0.154,1281 1.086,1282 0.791,1283 0.742,1284 1.023,1285 1.002,1286 0.062,1287 1.034,1288 0.699,1289 0.621,1290 0.949,1291 0.923,1293 0.944,1294 0.459,1295 0.38,1296 0.777,1297 0.735,1299 0.767,1300 3.664,1302 4.934,1304 6.412,1306 7.978,1308 9.584,1309 3.325,1310 1.53,1314 9.918,1315 0.484,1317 3.133,1318 5.054,1326 20.658,1327 53.369,1328 112.851,1329 135.216,1330 146.825,1331 146.825,1332 146.825,1333 25.781,1334 6.016,1335 54.38,1336 54.38,1337 12,1338 11.716,1339 3.7,1340 2.807,1341 31.149,1342 55,1343 52,1344 0.285,1345 136.615,1346 229.96,1347 325.1,1348 2694,1349 3.2,1350 12.958,1351 0.72,1352 0.635,1353 13.958,1354 11.438,1355 8.703,1356 0.458,1357 0.326,1358 5.362,1359 7.786,1360 5.166,1361 4.314,1362 9.28,1363 6.2,1364 7.422,1365 0.297,1366 0.184,1367 8.238,1368 4.599,1369 6.242,1370 0.201,1371 0.095,1372 6.82,1373 2.959,1374 4.604,1375 0.132,1376 0.051,1377 4.937,1378 1.776,1379 3.531,1380 0.086,1381 0.029,1382 4.002,1383 1.207,1384 0.445,1385 63.189,1386 0.284,1387 18.285,1388 0.777,1389 88,1390 286.518,1391 162.35,1392 311.625,1393 408.47,1394 290,1395 100,1396 265.464,1397 138.295,1398 283.25,1399 406.73,1400 264,1401 4.467}
{0 CHEMBL1469579,1 1.323,2 8.952,3 3.232,4 10.443,5 88.031,6 7.577,7 0.273,8 3.673,9 3.766,10 3.234,11 3.305,12 4.904,13 3.269,14 4.124,15 4.265,16 3.559,17 3.641,18 5.328,19 3.592,20 4.396,21 4.535,22 3.735,23 3.815,24 5.785,25 3.76,26 4.509,27 4.7,28 3.537,29 3.709,30 5.839,31 3.614,32 4.406,33 4.651,34 3.299,35 3.483,36 5.671,37 3.377,38 4.087,39 4.285,40 3.1,41 3.318,42 5.271,43 3.227,44 3.997,45 4.209,46 3.124,47 3.277,48 5.149,49 3.194,50 3.967,51 4.146,52 3.134,53 3.255,54 5.239,55 3.192,56 0.022,57 0.421,58 6.776,59 3.578,60 8.797,61 4.322,62 0.026,63 0.669,64 11.663,65 5.737,66 14.455,67 7.226,68 0.17,69 0.864,70 15.901,71 7.33,72 50.272,73 9.028,74 0.254,75 0.96,76 19.856,77 8.168,78 64.125,79 10.253,80 0.339,81 0.863,82 19.925,83 7.399,84 79.55,85 9.626,86 0.175,87 0.625,88 13.325,89 5.304,90 42.308,91 6.549,92 0.089,93 0.582,94 11.958,95 5.014,96 25.172,97 6.52,98 0.129,99 0.551,100 11.411,101 4.662,102 33.07,103 5.672,104 26,105 30,106 0.238,107 0.586,108 0.725,109 0.843,110 0.862,111 0.892,112 3.102,113 0.901,114 -4.07,115 -4.02,116 -3.81,120 48.6,121 2,136 6,137 1,139 1,143 3,144 3,157 2,174 14,177 2,182 2,185 17,188 1,189 4,194 2,197 17,201 5,204 1,206 2,209 9,214 2,217 1,219 4,222 9,227 2,232 2,235 8,240 3,245 2,247 8,252 4,257 1,260 9,264 4,271 7,274 540,275 13.69,276 13.69,277 13.69,278 13.69,279 13.69,280 11.897,281 7.187,282 8.011,283 13.669,284 10.769,285 10.769,286 10.769,287 10.769,288 10.769,289 7.95,290 4.528,291 3.758,292 10.719,293 3.887,294 1.954,295 1.183,296 0.527,297 0.419,298 0.257,299 3.758,305 1,306 1,307 1,308 386,309 2.828,313 72.948,314 82.012,320 1.297,321 26.553,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 45,333 188,334 4.43,335 3.808,336 6.544,337 4.056,338 3.037,339 3.933,341 10.102,342 3.095,343 4.222,344 2.997,345 5.951,346 3.828,347 2.827,348 3.862,350 8.323,351 2.829,352 3.795,353 2.967,354 5.51,355 3.374,356 2.366,357 3.107,359 6.827,360 2.372,361 3.55,362 2.587,363 5.201,364 3.167,365 2.163,366 2.86,368 6.355,369 2.169,370 3.181,371 2.253,372 4.33,373 2.605,374 1.593,375 2.272,377 3.897,378 1.609,379 2.916,380 1.716,381 4.042,382 2.488,383 1.484,384 1.952,386 3.523,387 1.479,388 2.82,389 1.633,390 3.868,391 2.414,392 1.414,393 1.904,395 3.407,396 1.414,397 2.357,398 1.217,399 3.189,400 1.654,401 0.642,402 0.981,404 1.472,405 0.642,406 2.174,407 0.763,408 2.752,409 1.424,410 0.355,411 0.55,413 0.777,414 0.378,415 1.464,416 0.487,417 2.654,418 1.11,419 0.103,420 0.136,422 0.226,423 0.103,424 1.291,425 0.345,426 2.378,427 0.911,428 -0.077,429 -0.101,431 -0.173,432 -0.075,433 0.757,434 -0.367,435 2.283,436 0.39,437 -0.6,438 -0.733,440 -1.539,441 -0.592,442 0.482,443 -0.429,444 1.895,445 0.159,446 -0.884,447 -1.141,449 -2.012,450 -0.907,451 0.202,452 -0.633,453 1.511,454 -0.034,455 -1,456 -1.216,458 -2.58,459 -0.97,460 0.163,461 -0.762,462 1.435,463 -0.208,464 -1.316,465 -1.813,467 -3.215,468 -1.355,469 10,470 0.476,471 0.6,472 0.029,473 26.75,474 1.274,475 15,476 0.714,477 11.75,478 0.56,479 14.721,480 0.701,481 21.8,482 0.589,483 20.244,484 0.964,485 5.763,486 0.274,487 4.223,488 0.201,489 0.2,491 0.35,496 0.657,497 0.923,498 0.787,499 0.919,500 0.672,501 0.883,502 0.572,503 0.99,504 0.733,505 0.979,506 0.586,507 0.9,508 0.778,509 1.134,510 0.938,511 1.128,512 0.755,513 1.072,514 1.005,515 1.225,516 1.119,517 1.224,518 0.997,519 1.197,520 1.052,521 0.818,522 0.894,523 0.815,524 1.02,525 0.825,526 1.281,527 0.94,528 1.121,529 0.945,530 1.197,531 0.995,532 0.802,533 0.938,534 0.814,535 0.929,536 0.777,537 0.883,538 1.266,539 0.955,540 1.018,541 0.946,542 1.2,543 0.941,544 4.5,545 0.087,546 3.111,547 1.688,548 1.218,549 0.473,550 0.3,551 0.265,552 0.19,553 0.157,554 4123,555 11834,556 1.941,557 43.2,558 6,559 9,562 1,567 1.629,568 1.775,569 3.148,570 -0.385,572 1,574 1,575 48.936,576 1.323,577 3.255,578 4.026,579 4.682,580 4.79,581 4.952,582 2.506,583 4.297,584 4.37,585 3.3,586 692.977,587 7.47,588 7507.05,589 1,590 1,591 1,592 1,593 192.75,594 1.545,595 4.294,596 0.205,597 0.01,598 0.104,599 0.05,600 0.049,601 0.024,602 0.018,603 0.015,604 0.011,605 0.011,606 0.494,607 1,608 1,609 0.702,610 95.455,611 -0.051,612 0.079,613 -0.005,614 0.075,615 -0.098,616 0.048,617 0.033,618 -0.001,619 0.109,620 0.012,621 0.024,622 0.063,623 0.106,624 -0.152,625 -0.052,626 -0.153,627 0.132,628 -0.134,629 0.057,630 -0.259,631 -0.141,632 -0.261,633 0.049,634 -0.24,635 0.076,636 0.147,637 0.171,638 0.154,639 0.081,640 0.174,641 -0.17,642 0.032,643 -0.127,644 0.022,645 -0.169,646 -0.033,647 0.012,648 0.035,649 0.153,650 0.052,651 0.015,652 0.114,653 -0.134,654 0.02,655 -0.041,656 0.021,657 -0.095,658 0.008,659 2.373,660 4.793,661 0.619,662 14.272,663 1.001,664 1.107,665 2.843,666 8.084,667 0.688,668 3.135,669 3.434,670 3.638,671 3.738,672 3.871,673 3.829,674 3.714,675 3.738,676 3.714,677 3.689,678 5.517,679 0.658,680 280.34,681 3.135,682 4.654,683 5.476,684 6.323,685 7.16,686 8.006,687 8.848,688 9.694,689 10.537,690 11.383,709 3,714 3,716 6,738 37,739 12,740 1,741 22,743 38,744 18,745 6,746 3,747 3,748 10,752 2,753 2,759 2,768 16,769 2,772 6,778 2,780 6,782 4,785 1,786 1,789 16,790 3,791 1,792 3,803 1,804 3,823 1,824 1,836 2,845 7,846 1,853 1,855 2,859 2,862 21,868 1,886 8.1,888 1,889 2,893 11.833,894 7.283,895 4.694,896 2.106,898 3.115,899 1.496,900 0.931,901 4.465,902 9.397,903 3.466,904 4.016,905 4.567,906 4.969,907 5.432,908 5.643,909 5.899,910 6.232,911 6.579,912 6.863,913 0.833,914 34,915 7.779,917 3.279,918 8.056,919 14.365,921 11.279,924 2.556,925 53.667,929 176.567,930 125.946,933 92.973,936 125.946,937 269.54,939 17.65,941 85.286,942 103.24,943 12.742,945 176.567,947 176.567,948 125.946,949 92.973,952 176.567,953 92.973,956 17.65,957 51.438,958 56.857,960 176.567,961 92.973,962 125.946,965 176.567,966 23.009,967 102.937,969 92.973,970 176.567,971 92.973,972 125.946,973 0.586,974 0.345,975 0.161,976 0.083,977 13,978 7,979 0.053,980 2,982 1,983 3.248,984 150.379,986 13,987 92.239,993 14.893,994 6.296,995 3.529,997 92.973,998 5.902,1003 3.252,1005 42.683,1006 395.486,1007 31,1013 23.233,1015 8.792,1017 -1.556,1020 37.051,1021 40.95,1022 0.254,1023 0.625,1024 0.773,1025 0.899,1026 0.92,1027 0.951,1028 4.687,1029 0.642,1030 5.468,1031 3.407,1032 4.111,1033 4.7,1035 6.24,1036 4.124,1037 5.914,1038 0.355,1039 7.024,1040 1.472,1041 3.761,1042 4.494,1044 7.106,1045 3.789,1046 7.222,1047 0.103,1048 8.68,1049 0.777,1050 5.68,1051 6.859,1053 10.158,1054 5.711,1055 8.565,1056 -0.077,1057 10.393,1058 0.226,1059 6.111,1060 7.433,1062 11.815,1063 6.166,1064 9.936,1065 -0.6,1066 12.14,1067 -0.173,1068 7.526,1069 9.266,1071 14.401,1072 7.582,1073 11.326,1074 -0.884,1075 13.912,1076 -1.539,1077 8.309,1078 10.211,1080 16.397,1081 8.391,1082 12.733,1083 -1,1084 15.7,1085 -2.012,1086 9.527,1087 11.812,1089 18.814,1090 9.615,1091 3.037,1092 -1.316,1093 17.502,1094 -2.58,1095 10.474,1096 12.948,1098 20.968,1099 10.586,1100 2.827,1101 10.102,1102 19.314,1103 -3.215,1104 11.612,1105 14.436,1107 23.318,1108 11.735,1109 2.366,1110 8.323,1111 21.135,1112 3.933,1113 12.635,1114 15.672,1116 25.549,1117 12.78,1118 2.163,1119 6.827,1120 22.963,1121 3.862,1122 13.743,1123 17.102,1125 27.872,1126 13.902,1127 1.593,1128 6.355,1129 24.797,1130 3.107,1131 14.802,1132 18.394,1134 30.142,1135 14.983,1136 1.484,1137 3.897,1138 26.636,1139 2.86,1140 15.899,1141 19.792,1143 32.455,1144 16.096,1145 1.414,1146 3.523,1147 28.48,1148 2.272,1149 16.976,1150 21.115,1152 34.744,1153 17.194,1154 4196,1155 7246,1156 13.929,1157 25.455,1158 33.634,1159 34.526,1160 33.682,1161 32.06,1162 31.969,1163 43.112,1165 89.819,1166 32.18,1167 5.197,1168 5.808,1169 6.216,1170 5.056,1171 5.037,1172 6.933,1174 17.082,1175 5.095,1176 12.455,1177 1.529,1178 1.569,1179 1.531,1180 1.457,1181 1.453,1182 1.96,1184 4.083,1185 1.463,1186 3.987,1187 4.009,1188 3.932,1189 3.934,1190 7.497,1191 3.929,1192 3.876,1193 3.888,1194 3.83,1195 3.792,1196 7.352,1197 3.798,1198 3.516,1199 3.547,1200 3.437,1201 3.421,1202 6.467,1203 3.418,1204 3.233,1205 3.268,1206 3.168,1207 3.106,1208 4.76,1209 3.1,1210 3.221,1211 3.244,1212 3.108,1213 3.049,1214 4.523,1215 3.077,1216 3.149,1217 3.239,1218 2.927,1219 2.991,1220 4.221,1221 2.964,1222 2.951,1223 3.018,1224 2.776,1225 2.791,1226 3.874,1227 2.775,1228 2.675,1229 2.741,1230 2.476,1231 2.462,1232 3.837,1233 2.442,1234 0.201,1235 0.173,1236 0.297,1237 0.184,1238 0.138,1239 4.43,1240 0.179,1241 3.808,1243 6.544,1244 0.459,1245 4.056,1246 0.141,1247 3.037,1248 3.933,1250 10.102,1251 3.095,1252 1.965,1253 1.942,1254 2.079,1255 2.034,1256 1.214,1257 2.05,1258 1.734,1259 1.721,1260 1.849,1261 1.844,1262 0.929,1263 1.837,1264 1.64,1265 1.622,1266 1.757,1267 1.777,1268 0.782,1269 1.771,1270 1.39,1271 1.353,1272 1.584,1273 1.538,1274 0.646,1275 1.557,1276 1.191,1277 1.105,1278 1.566,1279 1.42,1280 0.627,1281 1.476,1282 1.068,1283 1.005,1284 1.356,1285 1.288,1286 0.383,1287 1.31,1288 0.718,1289 0.655,1290 1.033,1291 0.999,1292 0.091,1293 0.994,1294 0.615,1295 0.575,1296 0.899,1297 0.89,1299 0.886,1300 3.807,1302 5.106,1304 6.583,1305 2.708,1306 8.14,1307 5.198,1308 9.737,1310 4.031,1314 10.013,1326 24.359,1327 48.936,1328 120.446,1329 148.975,1330 173.24,1331 177.24,1332 183.24,1333 50.19,1334 6.282,1335 54.37,1336 54.37,1337 13,1338 11.944,1339 3.7,1340 3.322,1341 39.405,1342 70,1343 63,1344 0.279,1345 154.288,1346 286.95,1347 368.223,1348 3872,1350 15.405,1351 0.734,1352 0.57,1353 15.405,1354 11.96,1355 9.986,1356 0.454,1357 0.3,1358 6.565,1359 9.788,1360 6.295,1361 5.305,1362 9.986,1363 6.608,1364 8.973,1365 0.299,1366 0.163,1367 8.973,1368 4.888,1369 7.488,1370 0.202,1371 0.09,1372 7.488,1373 3.331,1374 5.231,1375 0.128,1376 0.047,1377 5.231,1378 1.914,1379 4,1380 0.085,1381 0.026,1382 4,1383 1.235,1384 0.437,1385 61.648,1386 0.268,1387 20.889,1388 0.763,1389 104,1390 323.621,1391 110.311,1392 317.126,1393 417.89,1394 292,1395 119,1396 291.303,1397 125.423,1398 300.573,1399 431.3,1400 281,1401 4.398}
{0 CHEMBL1469594,1 1.807,2 11.071,3 2.085,4 4.348,5 106.305,6 9.01,7 0.4,8 3.906,9 4.009,10 3.609,11 3.456,12 5.2,13 3.462,14 4.355,15 4.481,16 4.001,17 3.812,18 5.684,19 3.807,20 4.617,21 4.759,22 4.152,23 3.971,24 5.982,25 3.952,26 4.698,27 4.853,28 4.219,29 3.916,30 6.312,31 3.898,32 4.647,33 4.831,34 4.008,35 3.868,36 6.016,37 3.808,38 4.567,39 4.752,40 3.812,41 3.768,42 5.884,43 3.697,44 4.395,45 4.574,46 3.722,47 3.573,48 5.939,49 3.536,50 4.279,51 4.463,52 3.608,53 3.451,54 5.641,55 3.444,56 0.167,57 0.661,58 6.238,59 3.525,60 16.592,61 3.683,62 0.34,63 1.02,64 11.814,65 5.557,66 26.458,67 6.467,68 0.429,69 1.241,70 18.255,71 8.175,72 57.146,73 8.669,74 0.914,75 1.309,76 22.68,77 8.309,78 124.581,79 8.512,80 0.742,81 1.25,82 23.203,83 8.334,84 91.916,85 8.684,86 0.604,87 1.162,88 26.673,89 8.309,90 92.586,91 8.138,92 0.603,93 0.928,94 18.617,95 6.592,96 99.055,97 7.598,98 0.433,99 0.823,100 15.993,101 5.559,102 66.805,103 5.839,104 37,105 42,106 0.31,107 0.649,108 0.766,109 0.886,110 0.917,111 0.917,112 3.374,113 0.86,114 -3.5,115 -3.48,116 -3.32,120 43.2,121 1,137 1,138 1,143 8,144 2,145 2,159 3,160 1,171 1,174 9,176 1,177 6,180 3,182 5,185 9,189 4,192 1,194 5,197 6,200 2,201 5,204 5,205 2,206 6,209 3,214 5,217 3,218 2,219 6,222 4,227 3,232 4,235 2,239 3,240 6,243 1,245 7,247 2,252 4,257 5,260 1,264 8,267 3,268 1,269 3,271 2,274 1264,275 18.518,276 18.518,277 18.518,278 18.518,279 18.518,280 16.27,281 20.213,282 10.838,283 18.774,284 14.724,285 14.724,286 14.724,287 14.724,288 14.724,289 11.243,290 20.259,291 5.047,292 15.123,293 3.653,294 1.672,295 0.989,296 0.29,297 0.108,298 0.108,299 4.05,306 1,307 1,308 654,309 3.24,313 296.736,320 1.577,321 42.427,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 62,333 310,334 4.527,335 4.08,336 6.95,337 4.227,338 3.269,339 3.977,340 1.83,341 11.646,342 3.141,343 4.31,344 3.584,345 6.385,346 3.944,347 2.951,348 3.916,349 1.104,350 9.619,351 2.925,352 4.137,353 3.516,354 6.238,355 3.753,356 2.755,357 3.642,358 0.98,359 9.108,360 2.74,361 3.613,362 3.36,363 5.543,364 3.173,365 2.234,366 2.848,367 0.95,368 6.796,369 2.102,370 3.418,371 2.888,372 5.074,373 3.032,374 2.042,375 2.654,376 0.113,377 5.66,378 2.007,379 3.361,380 2.682,381 4.903,382 2.94,383 1.963,384 2.495,386 5.344,387 1.876,388 2.87,389 1.931,390 4.191,391 2.414,392 1.414,393 2.029,395 3.488,396 1.414,397 2.862,398 1.845,399 3.919,400 2.393,401 1.414,402 2.017,404 3.263,405 1.38,406 2.789,407 1.543,408 3.687,409 2.34,410 1.369,411 1.868,413 2.969,414 1.325,415 2.723,416 1.489,417 3.607,418 2.301,419 1.315,420 1.706,422 2.948,423 1.283,424 2.544,425 1.311,426 3.564,427 1.986,428 0.98,429 1.423,431 2.374,432 0.975,433 1.854,434 1.171,435 3.22,436 1.423,437 0.419,438 0.555,440 1.006,441 0.41,442 1.641,443 1,444 3.001,445 1.204,446 0.195,447 0.255,449 0.473,450 0.195,451 1.093,452 0.791,453 2.489,454 0.703,455 -0.24,456 -0.29,458 -0.525,459 -0.221,460 1,461 0.339,462 2.325,463 0.611,464 -0.389,465 -0.477,467 -0.921,468 -0.386,469 13.267,470 0.474,471 0.775,472 0.028,473 37.75,474 1.348,475 20,476 0.714,477 17.75,478 0.634,479 20.749,480 0.741,481 29.333,482 0.667,483 32.072,484 1.145,485 7.961,486 0.284,487 5.436,488 0.194,489 0.201,491 0.369,496 0.784,497 1.048,498 0.619,499 0.766,500 0.652,501 0.767,502 0.557,503 1.152,504 0.627,505 0.953,506 0.581,507 0.915,508 0.967,509 1.262,510 0.85,511 1.07,512 0.947,513 0.995,514 0.969,515 1,516 0.911,517 0.978,518 0.985,519 0.973,520 1.173,521 0.885,522 1.082,523 0.867,524 1.205,525 0.947,526 1.342,527 1.102,528 1.582,529 1.263,530 1.316,531 1.105,532 0.804,533 1.139,534 0.956,535 1.108,536 0.862,537 1.062,538 1.38,539 1.037,540 0.927,541 0.881,542 1.387,543 0.863,544 5,545 0.206,546 4,547 3.063,548 2,549 0.854,550 0.668,551 0.349,552 0.345,553 0.236,554 9404,555 32301,556 1.993,557 36.4,558 3,559 8,560 1,562 4,567 1.711,568 1.826,569 3.404,570 1.733,571 1,572 1,575 79.504,576 1.807,577 3.788,578 4.471,579 5.17,580 5.351,581 5.351,582 2.826,583 4.236,584 4.782,585 3.592,586 1357.8,587 8.314,588 18058.4,590 1,592 1,593 240.215,594 1.531,595 4.714,596 0.167,597 0.009,598 0.095,599 0.065,600 0.045,601 0.023,602 0.022,603 0.012,604 0.013,605 0.008,606 0.459,607 0.17,608 1,609 0.648,610 140.741,611 -0.102,612 0.058,613 -0.013,614 0.065,615 -0.104,616 0.058,617 0.153,618 -0.08,619 0.079,620 -0.087,621 0.03,622 -0.04,623 -0.065,624 -0.254,625 0.024,626 -0.122,627 -0.057,628 -0.068,629 0.214,630 0.033,631 0.082,632 -0.026,633 0.202,634 -0.073,635 -0.101,636 0.131,637 -0.046,638 0.111,639 -0.131,640 0.008,641 -0.3,642 -0.068,643 -0.336,644 -0.14,645 -0.24,646 -0.112,647 0.237,648 -0.193,649 0.022,650 -0.15,651 0.234,652 -0.075,653 -0.237,654 -0.079,655 0.006,656 0.025,657 -0.188,658 0.09,659 2.357,660 5.815,661 0.643,662 24.939,663 1.025,664 1.119,665 2.269,666 5.149,667 0.706,668 3.434,669 3.761,670 4.043,671 4.277,672 4.419,673 4.382,674 4.394,675 4.431,676 4.466,677 4.443,678 6.628,679 0.688,680 396.46,681 3.434,682 4.977,683 5.832,684 6.713,685 7.583,686 8.469,687 9.346,688 10.234,689 11.114,690 12.004,691 9.1,693 1,698 3,709 8,714 4,716 12,734 1,738 44,739 17,740 2,741 30,743 46,744 19,745 12,746 4,747 8,748 5,752 3,753 3,757 1,759 1,768 18,769 1,772 5,778 3,779 1,780 1,782 5,786 1,789 16,790 8,791 4,792 9,793 1,797 4,800 2,801 1,803 1,804 4,823 3,846 1,855 3,857 1,859 1,862 28,868 1,871 3,875 1,886 9.1,888 1,889 3,893 15.333,894 8.067,895 6.222,896 2.346,898 2.52,899 1.353,900 0.96,901 5.966,902 9.651,903 3.738,904 4.29,905 4.816,906 5.292,907 5.661,908 5.682,909 5.883,910 6.058,911 6.236,912 6.392,913 1,914 47,915 10.374,917 4.522,918 8.185,919 18.711,921 14.845,924 2.685,925 75.167,929 141.253,930 165.587,931 56.912,933 118.118,935 45.192,936 120.395,937 259.371,938 56.912,939 8.825,940 48.071,941 93.698,942 132.232,943 12.313,944 12.056,945 129.482,946 45.192,947 141.253,948 177.306,949 118.118,950 45.192,952 141.253,953 118.118,956 65.737,957 111.569,959 45.192,960 141.253,961 175.03,962 165.587,965 141.253,966 26.712,967 96.807,968 53.787,969 163.31,970 141.253,971 175.03,972 165.587,973 0.585,974 0.357,975 0.194,976 0.096,977 19,978 10,979 0.087,980 4,982 1,983 3.844,984 237.715,986 18,987 132.606,990 1,993 19.854,994 8.414,995 4.184,997 175.03,998 13.063,1003 1.184,1005 96.471,1006 481.869,1007 41,1013 37.058,1014 5.136,1015 1.072,1017 -2.226,1020 45.094,1021 49.242,1022 0.331,1023 0.694,1024 0.819,1025 0.947,1026 0.98,1027 0.98,1028 4.977,1029 1.414,1030 5.832,1031 3.488,1032 4.443,1033 4.977,1034 2.553,1035 6.673,1036 4.393,1037 6.189,1038 1.369,1039 7.42,1040 3.263,1041 4.111,1042 4.796,1043 1.404,1044 7.678,1045 4.033,1046 7.501,1047 1.315,1048 9.115,1049 2.969,1050 6.061,1051 7.101,1052 3.129,1053 10.813,1054 5.961,1055 8.848,1056 0.98,1057 10.872,1058 2.948,1059 6.553,1060 7.708,1061 2.75,1062 12.651,1063 6.424,1064 10.226,1065 0.419,1066 12.669,1067 2.374,1068 7.997,1069 9.51,1070 3.982,1071 15.32,1072 7.843,1073 11.627,1074 0.195,1075 14.492,1076 1.006,1077 8.858,1078 10.483,1079 4.062,1080 17.494,1081 8.674,1082 13.045,1083 -0.24,1084 16.335,1085 0.473,1086 10.113,1087 12.072,1088 5.014,1089 20.006,1090 9.901,1091 3.269,1092 -0.389,1093 18.192,1094 -0.525,1095 11.138,1096 13.226,1097 5.337,1098 22.325,1099 10.892,1100 2.951,1101 11.646,1102 20.06,1103 -0.921,1104 12.324,1105 14.712,1106 6.137,1107 24.784,1108 12.046,1109 2.755,1110 9.619,1111 21.937,1112 3.977,1113 13.423,1114 15.959,1115 6.587,1116 27.168,1117 13.107,1118 2.234,1119 9.108,1120 23.821,1121 3.916,1122 14.586,1123 17.392,1124 7.303,1125 29.612,1126 14.235,1127 2.042,1128 6.796,1129 25.711,1130 3.642,1131 15.718,1132 18.69,1133 7.819,1134 32.028,1135 15.327,1136 1.963,1137 5.66,1138 27.605,1139 2.848,1140 16.878,1141 20.094,1142 8.489,1143 34.47,1144 16.448,1145 1.414,1146 5.344,1147 29.504,1148 2.654,1149 18.026,1150 21.421,1151 9.042,1152 36.902,1153 17.555,1154 9218,1155 17246,1156 19.304,1157 31.057,1158 45.766,1159 48.995,1160 47.761,1161 44.782,1162 44.641,1163 58.774,1164 9.955,1165 129.388,1166 43.544,1167 5.527,1168 6.08,1169 6.635,1170 5.297,1171 5.269,1172 6.977,1173 3.245,1174 19.21,1175 5.141,1176 16.412,1177 1.526,1178 1.633,1179 1.592,1180 1.493,1181 1.488,1182 1.959,1183 0.332,1184 4.313,1185 1.451,1186 3.988,1187 4.017,1188 4.047,1189 3.896,1190 7.445,1191 3.897,1192 3.917,1193 3.938,1194 3.875,1195 3.84,1196 7.429,1197 3.842,1198 3.769,1199 3.797,1200 3.775,1201 3.64,1202 7.412,1203 3.651,1204 3.427,1205 3.495,1206 3.577,1207 3.237,1208 6.468,1209 3.206,1210 3.178,1211 3.257,1212 3.297,1213 3.065,1214 4.845,1215 3.057,1216 3.165,1217 3.195,1218 3.05,1219 3.024,1220 4.673,1221 2.997,1222 3.073,1223 3.094,1224 2.96,1225 2.79,1226 4.617,1227 2.828,1228 2.94,1229 2.973,1230 2.864,1231 2.746,1232 4.443,1233 2.75,1234 0.151,1235 0.136,1236 0.232,1237 0.141,1238 0.109,1239 4.527,1240 0.133,1241 4.08,1242 0.061,1243 6.95,1244 0.388,1245 4.227,1246 0.105,1247 3.269,1248 3.977,1249 1.83,1250 11.646,1251 3.141,1252 1.93,1253 1.903,1254 2.037,1255 2.041,1256 1.151,1257 2.037,1258 1.892,1259 1.873,1260 1.992,1261 1.996,1262 1.061,1263 1.993,1264 1.693,1265 1.672,1266 1.756,1267 1.869,1268 0.804,1269 1.848,1270 1.285,1271 1.233,1272 1.552,1273 1.606,1274 0.604,1275 1.561,1276 1.208,1277 1.129,1278 1.398,1279 1.418,1280 0.364,1281 1.469,1282 1.094,1283 1.077,1284 1.196,1285 1.273,1286 0.262,1287 1.265,1288 0.907,1289 0.87,1290 1.139,1291 1.225,1292 0.156,1293 1.161,1294 0.883,1295 0.839,1296 1.111,1297 1.145,1298 0.13,1299 1.132,1300 4.111,1302 5.434,1304 6.963,1306 8.592,1308 10.272,1310 1.815,1314 9.686,1317 7.166,1321 1.213,1326 30.293,1327 79.504,1328 166.666,1329 196.705,1330 227.46,1331 235.46,1332 235.46,1333 75.122,1334 7.131,1335 116.22,1336 148.31,1337 18,1338 12.535,1339 4.17,1340 3.585,1341 49.731,1342 110,1343 106,1344 0.217,1345 192.936,1346 347.01,1347 462.525,1348 11726,1350 20.259,1351 0.724,1352 0.555,1353 20.759,1354 15.54,1355 13.397,1356 0.447,1357 0.287,1358 8.098,1359 12.608,1360 7.89,1361 6.571,1362 13.685,1363 8.601,1364 12.05,1365 0.287,1366 0.149,1367 12.421,1368 6.247,1369 10.192,1370 0.182,1371 0.077,1372 10.502,1373 4.294,1374 8.596,1375 0.121,1376 0.04,1377 9.057,1378 2.871,1379 6.184,1380 0.075,1381 0.022,1382 6.486,1383 1.813,1384 0.341,1385 87.439,1386 0.228,1387 26.736,1388 0.592,1389 144,1390 504.86,1391 174.969,1392 508.644,1393 670.57,1394 468,1395 170,1396 468.094,1397 197.292,1398 479.864,1399 701.72,1400 450,1401 4.511}
{0 CHEMBL1469676,1 1.618,2 9.36,3 3.853,4 14.848,5 94.946,6 8.368,7 0.444,8 3.871,9 3.956,10 3.535,11 3.406,12 5.019,13 3.405,14 4.394,15 4.521,16 3.851,17 3.742,18 5.539,19 3.73,20 4.534,21 4.688,22 3.937,23 3.831,24 5.703,25 3.806,26 4.612,27 4.779,28 3.877,29 3.895,30 5.686,31 3.833,32 4.685,33 4.883,34 3.957,35 3.973,36 5.755,37 3.886,38 4.714,39 4.897,40 4.054,41 3.981,42 5.916,43 3.911,44 4.699,45 4.87,46 4.01,47 3.901,48 5.894,49 3.823,50 4.58,51 4.795,52 3.722,53 3.706,54 5.66,55 3.591,56 0.071,57 0.549,58 7.275,59 4.035,60 9.204,61 4.627,62 0.453,63 0.867,64 17.438,65 6.532,66 28.29,67 7.405,68 0.442,69 1.015,70 19.54,71 7.443,72 45.22,73 8.775,74 0.511,75 1.078,76 21.053,77 8.429,78 39.085,79 10.018,80 0.419,81 1.147,82 26.362,83 9.796,84 40.986,85 12.401,86 0.6,87 1.141,88 27.586,89 9.844,90 59.831,91 12.07,92 0.723,93 1.065,94 29.134,95 9.769,96 66.732,97 11.367,98 0.648,99 0.933,100 27.842,101 8.845,102 62.11,103 10.872,104 19,105 36,106 0.282,107 0.597,108 0.794,109 0.882,110 0.907,111 0.907,112 3.267,113 0.926,114 -4.09,115 -4.04,116 -3.82,120 44.2,126 3,127 1,135 1,136 1,143 7,144 1,145 4,159 1,174 6,176 2,177 8,185 5,189 10,197 3,200 2,201 7,209 4,213 1,214 3,222 10,226 2,227 6,235 10,239 1,240 7,247 7,251 1,252 5,260 4,263 1,264 4,271 4,274 981,275 17.292,276 17.292,277 17.292,278 17.292,279 17.292,280 15.581,281 23.718,282 10.489,283 17.703,284 13.24,285 13.24,286 13.24,287 13.24,288 13.24,289 10.502,290 30.673,291 4.835,292 13.948,293 3.809,294 2.009,295 0.876,296 0.372,297 0.233,298 0.233,299 3.95,300 1,305 1,306 1,307 1,308 496,309 3.674,312 61.525,313 153.469,316 104.976,320 1.283,321 27.324,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.833,333 234,334 4.367,335 3.791,336 6.511,337 4.036,338 3.083,339 3.965,340 2.116,341 10.214,342 2.931,343 4.204,344 3.305,345 6.165,346 3.821,347 2.865,348 3.804,349 1.392,350 9.144,351 2.737,352 3.968,353 3.154,354 6.069,355 3.647,356 2.696,357 3.251,358 1.151,359 8.743,360 2.547,361 3.349,362 2.682,363 5.021,364 2.955,365 1.972,366 2.567,367 0.825,368 5.594,369 1.914,370 3.002,371 2.266,372 4.465,373 2.658,374 1.726,375 2.132,376 0.532,377 4.475,378 1.596,379 2.915,380 1.992,381 4.368,382 2.483,383 1.534,384 2.072,385 0.316,386 4.204,387 1.473,388 2.886,389 1.911,390 3.793,391 2.475,392 1.491,393 2.023,395 3.162,396 1.438,397 2.739,398 1.833,399 3.61,400 2.255,401 1.276,402 1.694,404 2.59,405 1.245,406 2.281,407 1.665,408 3.421,409 2.122,410 1.14,411 1.247,413 2.449,414 1.113,415 2.099,416 1.487,417 3.37,418 1.822,419 0.883,420 1.029,422 2.127,423 0.804,424 1.775,425 1.183,426 3.033,427 1.356,428 0.422,429 0.518,431 1.001,432 0.39,433 1.6,434 0.75,435 2.772,436 1.246,437 0.35,438 0.427,440 0.603,441 0.297,442 1.46,443 0.675,444 2.464,445 0.912,446 0.147,447 0.177,449 0.208,450 0.09,451 1.076,452 0.208,453 2.404,454 0.692,455 -0.27,456 -0.341,458 -0.559,459 -0.252,460 0.702,461 -0.131,462 2.137,463 0.292,464 -0.669,465 -0.856,467 -1.552,468 -0.635,469 11.948,470 0.478,471 0.448,472 0.018,473 32.75,474 1.31,475 16.5,476 0.66,477 16.25,478 0.65,479 18.636,480 0.745,481 27.052,482 0.629,483 24.658,484 0.986,485 6.839,486 0.274,487 5.385,488 0.215,489 0.13,491 0.285,496 0.778,497 1.34,498 0.598,499 1.084,500 0.662,501 0.938,502 1.138,503 1.049,504 0.964,505 0.952,506 0.836,507 0.909,508 0.989,509 1.134,510 0.754,511 1.022,512 0.956,513 0.976,514 1.058,515 1.049,516 0.86,517 0.94,518 1.051,519 1.027,520 0.762,521 1.032,522 0.923,523 0.989,524 0.99,525 0.975,526 0.871,527 0.951,528 0.977,529 0.949,530 1.041,531 0.935,532 1.09,533 1.051,534 1.149,535 1.124,536 1.182,537 1.104,538 1.018,539 0.88,540 1.114,541 0.967,542 1.279,543 0.996,544 4,545 0.045,546 2.889,547 1.257,548 1.231,549 0.892,550 0.57,551 0.451,552 0.236,553 0.095,554 6506,555 20930,556 2.062,557 41.9,559 16,560 2,567 1.687,568 1.948,569 3.2,570 -0.751,572 1,574 1,575 69.56,576 1.618,577 3.417,578 4.551,579 5.054,580 5.194,581 5.194,582 2.613,583 4.484,584 4.615,585 3.328,586 998.471,587 8.019,588 12053,590 1,592 1,593 233.329,594 1.323,595 4.583,596 0.148,597 0.005,598 0.08,599 0.034,600 0.035,601 0.024,602 0.015,603 0.014,604 0.01,605 0.006,606 0.37,607 0.5,608 1,609 1.322,610 119.227,611 -0.034,612 -0.23,613 0.036,614 -0.129,615 -0.08,616 -0.041,617 -0.047,618 0.017,619 -0.105,620 -0.009,621 -0.082,622 -0.017,623 -0.032,624 -0.066,625 0.01,626 -0.098,627 0.031,628 -0.063,629 -0.101,630 -0.016,631 -0.092,632 -0.004,633 -0.108,634 -0.095,636 -0.036,637 0.035,638 -0.002,639 -0.004,640 0.027,641 0.069,642 0.038,643 0.051,644 0.038,645 0.103,646 0.045,647 0.035,648 -0.112,649 -0.03,650 -0.122,651 -0.018,652 -0.132,653 0.026,654 0.035,655 0.034,656 0.037,657 -0.077,658 0.019,659 1.876,660 5.407,661 0.6,662 19.549,663 1.016,664 1.117,665 2.863,666 8.198,667 0.687,668 3.332,669 3.611,670 3.892,671 4.127,672 4.317,673 4.394,674 4.511,675 4.585,676 4.5,677 4.443,678 5.655,679 0.662,680 359.83,681 3.332,682 4.844,683 5.687,684 6.55,685 7.415,686 8.288,687 9.161,688 10.038,689 10.914,690 11.793,691 2.3,698 1,709 7,714 5,716 12,735 3,738 43,739 14,740 2,741 27,743 45,744 19,745 12,746 5,747 7,750 1,752 3,753 4,754 1,759 1,768 15,769 4,772 2,773 1,778 1,780 1,782 1,786 1,789 18,790 5,792 6,793 1,797 1,803 0.667,804 4,822 1,823 2,826 1,839 1,843 1,845 1,855 2,860 1,862 25,869 4,872 3,875 1,885 1,886 9.3,889 1,891 3,893 12.833,894 7.676,895 5.778,896 2.341,898 2.335,899 1.335,900 0.957,901 5.969,902 9.296,903 3.584,904 4.094,905 4.615,906 5.11,907 5.614,908 5.768,909 6.059,910 6.331,911 6.447,912 6.615,913 1,914 37,915 9.219,917 3.827,918 7.844,919 17.33,921 13.657,924 2.344,925 58.611,928 1,929 211.88,930 134.152,931 3.124,932 39.149,933 58.145,936 134.152,937 309.173,938 3.124,940 35.089,941 75.81,942 29.85,943 54.672,944 23.542,945 227.486,947 211.88,948 137.276,949 58.145,950 39.149,952 211.88,953 58.145,956 19.322,957 108.478,958 48.625,960 211.88,961 61.269,962 173.301,965 211.88,966 42.575,967 78.934,969 113.06,970 211.88,971 61.269,972 173.301,973 0.561,974 0.337,975 0.183,976 0.1,977 16,978 7,979 0.133,980 6,981 1,982 1.133,983 3.651,984 203.715,985 0.133,986 15,987 116.096,993 17.799,994 8.384,995 4.153,997 61.269,998 12.939,1003 3.544,1006 446.449,1007 35,1008 3.656,1013 12.407,1015 1.677,1017 -0.209,1020 43.687,1021 48.017,1022 0.298,1023 0.63,1024 0.839,1025 0.931,1026 0.957,1027 0.957,1028 4.796,1029 1.276,1030 5.645,1031 3.162,1032 4.29,1033 4.779,1034 2.859,1035 6.438,1036 4.191,1037 5.962,1038 1.14,1039 7.191,1040 2.59,1041 3.761,1042 4.46,1043 1.668,1044 7.322,1045 3.628,1046 7.245,1047 0.883,1048 8.841,1049 2.449,1050 5.855,1051 6.877,1052 3.724,1053 10.421,1054 5.659,1055 8.567,1056 0.422,1057 10.556,1058 2.127,1059 6.217,1060 7.404,1061 3.401,1062 12.148,1063 5.964,1064 9.923,1065 0.35,1066 12.311,1067 1.001,1068 7.719,1069 9.273,1070 4.888,1071 14.729,1072 7.427,1073 11.303,1074 0.147,1075 14.092,1076 0.603,1077 8.483,1078 10.187,1079 5.04,1080 16.779,1081 8.126,1082 12.701,1083 -0.27,1084 15.891,1085 0.208,1086 9.746,1087 11.82,1088 6.212,1089 19.179,1090 9.354,1091 3.083,1092 -0.669,1093 17.703,1094 -0.559,1095 10.692,1096 12.93,1097 6.621,1098 21.363,1099 10.236,1100 2.865,1101 10.214,1102 19.524,1103 -1.552,1104 11.856,1105 14.444,1106 7.617,1107 23.694,1108 11.363,1109 2.696,1110 9.144,1111 21.351,1112 3.965,1113 12.884,1114 15.659,1115 8.169,1116 25.938,1117 12.331,1118 1.972,1119 8.743,1120 23.183,1121 3.804,1122 14.007,1123 17.108,1124 9.065,1125 28.246,1126 13.413,1127 1.726,1128 5.594,1129 25.019,1130 3.251,1131 15.074,1132 18.383,1133 9.698,1134 30.518,1135 14.423,1136 1.534,1137 4.475,1138 26.858,1139 2.567,1140 16.182,1141 19.796,1142 10.535,1143 32.819,1144 15.487,1145 1.491,1146 4.204,1147 28.699,1148 2.132,1149 17.267,1150 21.107,1151 11.215,1152 35.107,1153 16.519,1154 6416,1155 11626,1156 18.087,1157 29.534,1158 39.587,1159 41.484,1160 41.195,1161 39.084,1162 39.169,1163 49.814,1164 12.661,1165 109.031,1166 37.153,1167 5.241,1168 5.791,1169 6.373,1170 5.088,1171 5.083,1172 6.965,1173 3.785,1174 16.932,1175 4.931,1176 11.036,1177 1.466,1178 1.536,1179 1.526,1180 1.448,1181 1.451,1182 1.845,1183 0.469,1184 4.038,1185 1.376,1186 4.004,1187 4.025,1188 3.974,1189 3.9,1190 7.427,1191 3.908,1192 3.89,1193 3.905,1194 3.837,1195 3.805,1196 5.008,1197 3.81,1198 3.588,1199 3.62,1200 3.774,1201 3.422,1202 4.878,1203 3.413,1204 3.549,1205 3.593,1206 3.414,1207 3.376,1208 4.676,1209 3.393,1210 3.269,1211 3.301,1212 3.318,1213 3.047,1214 4.658,1215 3.058,1216 3.113,1217 3.177,1218 3.034,1219 2.945,1220 4.352,1221 2.945,1222 2.949,1223 2.997,1224 2.843,1225 2.759,1226 4.225,1227 2.763,1228 2.844,1229 2.897,1230 2.785,1231 2.716,1232 3.986,1233 2.708,1234 0.162,1235 0.14,1236 0.241,1237 0.149,1238 0.114,1239 4.367,1240 0.147,1241 3.791,1242 0.078,1243 6.511,1244 0.378,1245 4.036,1246 0.109,1247 3.083,1248 3.965,1249 2.116,1250 10.214,1251 2.931,1252 1.927,1253 1.904,1254 2.032,1255 2.039,1256 1.19,1257 2.036,1258 1.838,1259 1.82,1260 1.931,1261 1.935,1262 1.045,1263 1.935,1264 1.557,1265 1.504,1266 1.798,1267 1.729,1268 0.817,1269 1.753,1270 1.448,1271 1.417,1272 1.589,1273 1.657,1274 0.765,1275 1.648,1276 1.161,1277 1.127,1278 1.438,1279 1.518,1280 0.611,1281 1.484,1282 1.132,1283 1.074,1284 1.394,1285 1.332,1286 0.578,1287 1.367,1288 0.907,1289 0.858,1290 1.217,1291 1.169,1292 0.179,1293 1.183,1294 0.794,1295 0.754,1296 1.095,1297 0.99,1298 0.163,1299 1.023,1300 4.007,1302 5.293,1303 2.398,1304 6.783,1305 4.595,1306 8.369,1307 6.581,1308 10.005,1311 5.812,1315 0.785,1318 16.398,1321 1.602,1326 28.449,1327 69.56,1328 146.949,1329 195.678,1330 217.329,1331 223.329,1332 223.329,1333 42.193,1334 6.961,1335 48,1336 48,1337 17,1338 12.33,1339 3.907,1340 3.17,1341 41.429,1342 81,1343 99,1344 0.242,1345 178.538,1346 318.63,1347 427.392,1348 8944,1349 2.3,1350 17.648,1351 0.706,1352 0.575,1353 18.148,1354 14.368,1355 12.224,1356 0.453,1357 0.309,1358 7.704,1359 11.367,1360 7.488,1361 6.188,1362 12.577,1363 8.337,1364 10.256,1365 0.285,1366 0.156,1367 10.46,1368 5.626,1369 8.88,1370 0.185,1371 0.083,1372 9.202,1373 3.97,1374 7.111,1375 0.117,1376 0.044,1377 7.262,1378 2.687,1379 5.62,1380 0.076,1381 0.024,1382 5.764,1383 1.791,1384 0.37,1385 81.072,1386 0.235,1387 23.969,1388 0.695,1389 126,1390 434.791,1391 153.428,1392 430.713,1393 570.5,1394 406,1395 147,1396 383.952,1397 172.011,1398 389.974,1399 573.77,1400 364,1401 5.312}
{0 CHEMBL1469821,1 1.383,2 9.545,3 3.777,4 14.263,5 87.048,6 7.471,7 0.708,8 3.748,9 3.853,10 3.313,11 3.377,12 4.911,13 3.342,14 4.217,15 4.358,16 3.653,17 3.75,18 5.349,19 3.692,20 4.483,21 4.654,22 3.683,23 3.86,24 5.629,25 3.777,26 4.541,27 4.771,28 3.525,29 3.749,30 5.597,31 3.638,32 4.402,33 4.628,34 3.426,35 3.567,36 5.63,37 3.479,38 4.262,39 4.474,40 3.269,41 3.436,42 5.438,43 3.354,44 4.145,45 4.36,46 3.196,47 3.374,48 5.301,49 3.286,50 4.055,51 4.276,52 3.117,53 3.32,54 5.149,55 3.228,56 0.035,57 0.487,58 7.53,59 3.613,60 7.922,61 4.531,62 0.081,63 0.779,64 12.78,65 6.022,66 13.157,67 7.877,68 0.186,69 1.01,70 18.102,71 7.61,72 32.871,73 9.781,74 0.151,75 1.058,76 20.981,77 8.367,78 33.711,79 11.188,80 0.284,81 0.918,82 18.652,83 6.835,84 57.044,85 8.96,86 0.207,87 0.762,88 16.297,89 6.105,90 44.189,91 7.593,92 0.149,93 0.69,94 14.187,95 5.52,96 36.164,97 7.081,98 0.137,99 0.636,100 12.953,101 5.084,102 28.167,103 6.621,104 10,105 33,106 0.244,107 0.562,108 0.704,109 0.846,110 0.876,111 0.894,112 3.146,113 0.899,114 -4.84,115 -4.75,116 -4.45,120 48.7,121 1,122 1,143 10,144 4,145 2,159 1,174 16,177 1,180 1,182 3,185 20,189 1,193 1,194 5,197 16,201 3,206 5,209 9,214 4,217 1,219 4,222 7,227 4,232 3,235 7,240 2,245 4,247 8,252 1,257 3,260 10,269 2,271 10,274 600,275 14.74,276 14.74,277 14.74,278 14.74,279 14.74,280 12.49,281 13.229,282 8.757,283 14.799,284 11.865,285 11.865,286 11.865,287 11.865,288 11.865,289 8.551,290 16.894,291 4.205,292 11.972,293 3.902,294 2.104,295 1.301,296 0.5,297 0.327,298 0.224,299 3.828,305 1,306 1,307 1,308 452,309 2.828,313 189.395,317 98.271,320 1.496,321 18.611,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46.5,333 210,334 4.409,335 3.635,336 6.186,337 3.936,338 2.939,339 4.337,340 1.987,341 9.241,342 2.934,343 4.249,344 3.001,345 6.092,346 3.848,347 2.875,348 3.89,349 0.324,350 8.867,351 2.79,352 3.783,353 2.924,354 5.409,355 3.452,356 2.444,357 3.148,359 7.122,360 2.457,361 3.473,362 2.395,363 4.93,364 3.099,365 2.11,366 2.791,368 5.746,369 2.082,370 3.335,371 2.345,372 4.777,373 2.92,374 1.922,375 2.571,377 5.27,378 1.908,379 3.118,380 1.692,381 4.409,382 2.618,383 1.618,384 2.427,386 4.356,387 1.618,388 2.892,389 1.618,390 4.112,391 2.415,392 1.424,393 2.077,395 3.626,396 1.41,397 2.805,398 1.427,399 3.614,400 2.349,401 1.355,402 1.915,404 2.992,405 1.341,406 2.186,407 0.836,408 3.185,409 1.701,410 0.7,411 1.034,413 1.619,414 0.7,415 1.534,416 0.678,417 2.997,418 1.226,419 0.281,420 0.335,422 0.652,423 0.263,424 1.296,425 0.54,426 2.545,427 0.945,428 -0.052,429 -0.065,431 -0.133,432 -0.052,433 1,434 0.198,435 2.367,436 0.645,437 -0.36,438 -0.464,440 -0.903,441 -0.358,442 0.882,443 -0.341,444 2.239,445 0.382,446 -0.618,447 -0.927,449 -1.589,450 -0.618,451 0.723,452 -0.543,453 2,454 0.283,455 -0.749,456 -1.033,458 -1.842,459 -0.764,460 0.463,461 -0.618,462 2,463 0.012,464 -1,465 -1.188,467 -2.326,468 -0.933,469 10.567,470 0.48,471 0.558,472 0.025,473 31.5,474 1.432,475 18.5,476 0.841,477 13,478 0.591,479 14.03,480 0.638,481 22.433,482 0.575,483 21.452,484 0.975,485 6.393,486 0.291,487 4.221,488 0.192,489 0.11,491 0.331,496 0.801,497 0.949,498 0.808,499 0.87,500 0.743,501 0.841,502 0.505,503 1.076,504 0.812,505 1.022,506 0.541,507 0.969,508 1.043,509 1.135,510 1.133,511 1.122,512 1.069,513 1.135,514 0.976,515 1.123,516 0.992,517 1.075,518 0.913,519 1.041,520 1.225,521 0.968,522 1.021,523 0.954,524 1.22,525 0.948,526 1.774,527 0.94,528 1.111,529 0.914,530 1.832,531 0.93,532 1.396,533 0.956,534 1.014,535 0.925,536 1.525,537 0.924,538 1.241,539 0.819,540 0.959,541 0.827,542 1.189,543 0.85,544 5,545 0.083,546 2.222,547 1.375,548 1.289,549 0.486,550 0.384,551 0.191,552 0.197,553 0.131,554 5264,555 13371,556 2.07,557 43.6,558 3,559 10,562 2,563 2,567 1.641,568 1.941,569 3.256,570 0.214,572 1,574 1,575 53.933,576 1.383,577 3.182,578 3.985,579 4.785,580 4.958,581 5.061,582 2.681,583 4.096,584 4.436,585 3.4,586 785.514,587 7.597,588 8797.71,589 1,590 1,591 1,592 1,593 206.131,594 1.395,595 4.392,596 0.208,597 0.007,598 0.067,599 0.043,600 0.05,601 0.021,602 0.019,603 0.01,604 0.011,605 0.009,606 0.445,607 0.83,608 1,609 0.595,610 102.089,611 -0.082,612 0.089,613 0.009,614 0.096,615 -0.108,616 0.07,617 0.13,618 -0.066,619 0.038,620 -0.048,621 0.052,622 -0.026,623 -0.046,624 -0.122,625 -0.21,626 -0.169,627 -0.097,628 -0.206,629 -0.016,630 -0.146,631 0.002,632 -0.107,633 0.004,634 -0.06,635 0.092,636 0.045,637 0.013,638 -0.01,639 0.144,640 -0.001,641 -0.206,642 0.018,643 -0.062,644 0.048,645 -0.174,646 0.016,647 -0.124,648 0.01,649 0.002,650 0.044,651 -0.092,652 0.039,653 -0.117,654 0.155,655 0.045,656 0.147,657 -0.082,658 0.124,659 1.809,660 5.159,661 0.727,662 16.298,663 0.996,664 1.109,665 3.606,666 13,667 0.692,668 3.219,669 3.526,670 3.738,671 3.97,672 4.19,673 4.094,674 4.111,675 4.205,676 4.22,677 4.174,678 5.806,679 0.658,680 291.37,681 3.219,682 4.745,683 5.572,684 6.435,685 7.277,686 8.139,687 8.987,688 9.849,689 10.699,690 11.56,691 2.6,698 1,708 2,709 10,714 4,716 17,734 1,738 39,739 18,740 3,741 24,743 41,744 19,745 16,746 6,747 10,752 3,753 4,759 1,766 1,768 17,769 2,772 1,778 1,782 1,786 1,789 17,790 3,791 2,792 3,797 1,803 0.667,804 2,823 3,827 1,838 1,855 2,859 1,862 22,868 1,869 1,871 1,886 5.1,888 1,889 1,893 11.333,894 7.2,895 4.806,896 2.231,898 3.297,899 1.484,900 0.982,901 4.01,902 10.101,903 3.541,904 4.174,905 4.732,906 5.322,907 5.895,908 6.027,909 6.31,910 6.683,911 6.947,912 6.801,913 1,914 32,915 8.125,917 3.445,918 7.803,919 15.436,921 12.579,924 2.303,925 50.667,929 176.567,930 125.101,931 18.011,933 67.828,936 125.101,937 244.395,938 18.011,939 8.825,940 20.545,941 94.762,942 72.533,943 14.274,945 176.567,947 176.567,948 143.111,949 67.828,952 176.567,953 67.828,956 29.37,957 113.741,960 176.567,961 85.839,962 125.101,965 176.567,966 21.513,967 103.588,968 18.011,969 67.828,970 176.567,971 85.839,972 125.101,973 0.581,974 0.329,975 0.176,976 0.101,977 16,978 7,979 0.073,980 3,981 1,982 1.125,983 3.491,984 166.524,985 0.125,986 16,987 98.107,993 14.456,994 6.103,995 3.417,996 2.272,997 85.839,998 19.188,1003 2.463,1005 60.694,1006 387.506,1007 33.5,1013 12.159,1017 -0.142,1020 38.825,1021 43.239,1022 0.262,1023 0.602,1024 0.754,1025 0.905,1026 0.938,1027 0.958,1028 4.747,1029 1.355,1030 5.549,1031 3.626,1032 4.205,1033 4.86,1034 2.076,1035 6.308,1036 4.186,1037 5.967,1038 0.7,1039 7.076,1040 2.992,1041 3.761,1042 4.677,1043 1.593,1044 7.066,1045 3.73,1046 7.272,1047 0.281,1048 8.696,1049 1.619,1050 5.753,1051 7.098,1052 3.1,1053 10.124,1054 5.713,1055 8.609,1056 -0.052,1057 10.368,1058 0.652,1059 6.066,1060 7.694,1061 3.168,1062 11.67,1063 6.008,1064 9.972,1065 -0.36,1066 12.075,1067 -0.133,1068 7.551,1069 9.61,1070 4.312,1071 14.232,1072 7.488,1073 11.354,1074 -0.618,1075 13.804,1076 -0.903,1077 8.238,1078 10.607,1079 4.654,1080 16.13,1081 8.154,1082 12.753,1083 -0.749,1084 15.551,1085 -1.589,1086 9.496,1087 12.288,1088 5.601,1089 18.491,1090 9.407,1091 2.939,1092 -1,1093 17.31,1094 -1.842,1095 10.373,1096 13.502,1097 6.091,1098 20.554,1099 10.265,1100 2.875,1101 9.241,1102 19.08,1103 -2.326,1104 11.525,1105 15.064,1106 6.927,1107 22.828,1108 11.411,1109 2.444,1110 8.867,1111 20.858,1112 4.337,1113 12.497,1114 16.393,1115 7.5,1116 24.967,1117 12.367,1118 2.11,1119 7.122,1120 22.642,1121 3.89,1122 13.601,1123 17.898,1124 8.273,1125 27.204,1126 13.463,1127 1.922,1128 5.746,1129 24.432,1130 3.148,1131 14.621,1132 19.286,1133 8.894,1134 29.38,1135 14.469,1136 1.618,1137 5.27,1138 26.226,1139 2.791,1140 15.703,1141 20.764,1142 9.631,1143 31.601,1144 15.543,1145 1.424,1146 4.356,1147 28.023,1148 2.571,1149 16.747,1150 22.184,1151 10.279,1152 33.794,1153 16.575,1154 5075,1155 8179,1156 16.008,1157 27.006,1158 35.651,1159 36.592,1160 36.422,1161 35.295,1162 35.335,1163 49.049,1164 4.622,1165 98.979,1166 35.008,1167 5.279,1168 5.635,1169 5.873,1170 4.937,1171 4.939,1172 7.337,1173 3.497,1174 15.567,1175 4.934,1176 9.969,1177 1.485,1178 1.525,1179 1.518,1180 1.471,1181 1.472,1182 2.044,1183 0.193,1184 4.124,1185 1.459,1186 4.091,1187 4.112,1188 4.041,1189 4.052,1190 7.429,1191 4.046,1192 3.932,1193 3.958,1194 3.879,1195 3.855,1196 6.469,1197 3.856,1198 3.612,1199 3.646,1200 3.531,1201 3.504,1202 4.897,1203 3.502,1204 3.343,1205 3.39,1206 3.253,1207 3.171,1208 4.64,1209 3.186,1210 3.182,1211 3.241,1212 3.03,1213 3.014,1214 4.322,1215 3.006,1216 3.04,1217 3.093,1218 2.923,1219 2.934,1220 3.964,1221 2.927,1222 2.871,1223 2.941,1224 2.731,1225 2.741,1226 3.855,1227 2.73,1228 2.64,1229 2.697,1230 2.533,1231 2.506,1232 3.727,1233 2.505,1234 0.184,1235 0.151,1236 0.258,1237 0.164,1238 0.122,1239 4.409,1240 0.181,1241 3.635,1242 0.083,1243 6.186,1244 0.385,1245 3.936,1246 0.122,1247 2.939,1248 4.337,1249 1.987,1250 9.241,1251 2.934,1252 2.079,1253 2.06,1254 2.166,1255 2.133,1256 1.312,1257 2.145,1258 1.907,1259 1.882,1260 2.017,1261 2.011,1262 1.126,1263 2.012,1264 1.595,1265 1.56,1266 1.76,1267 1.74,1268 0.917,1269 1.745,1270 1.297,1271 1.25,1272 1.536,1273 1.503,1274 0.592,1275 1.513,1276 1.172,1277 1.112,1278 1.443,1279 1.396,1280 0.52,1281 1.414,1282 1.05,1283 1.002,1284 1.271,1285 1.2,1286 0.338,1287 1.229,1288 0.88,1289 0.817,1290 1.152,1291 1.073,1292 0.224,1293 1.106,1294 0.634,1295 0.582,1296 0.942,1297 0.939,1298 0.015,1299 0.924,1300 3.892,1302 5.198,1304 6.698,1306 8.287,1308 9.92,1310 1.915,1314 9.777,1315 0.276,1317 2.759,1326 25.665,1327 53.933,1328 124.082,1329 155.402,1330 186.621,1331 193.376,1332 197.376,1333 35.653,1334 6.805,1335 49.33,1336 49.33,1337 18,1338 12.112,1339 4.248,1340 3.392,1341 34.632,1342 78,1343 62,1344 0.219,1345 159.285,1346 272.3,1347 380.415,1348 7962,1350 15.527,1351 0.706,1352 0.561,1353 15.527,1354 12.336,1355 10.614,1356 0.442,1357 0.3,1358 7.142,1359 10.413,1360 6.913,1361 5.779,1362 10.614,1363 7.188,1364 9.716,1365 0.294,1366 0.164,1367 9.716,1368 5.427,1369 7.714,1370 0.188,1371 0.088,1372 7.714,1373 3.605,1374 6.345,1375 0.122,1376 0.048,1377 6.345,1378 2.479,1379 5.335,1380 0.082,1381 0.026,1382 5.335,1383 1.713,1384 0.346,1385 65.248,1386 0.25,1387 21.884,1388 0.592,1389 114,1390 306.218,1391 120.372,1392 305.576,1393 415.12,1394 284,1395 131,1396 301.92,1397 136.708,1398 311.968,1399 448.25,1400 293,1401 5.113}
{0 CHEMBL1470321,1 1.666,2 11.281,3 4.383,4 19.213,5 121.725,6 7.756,7 0.5,8 4.162,9 4.261,10 3.88,11 3.716,12 5.261,13 3.671,14 4.71,15 4.86,16 4.214,17 4.069,18 5.981,19 4.025,20 4.967,21 5.133,22 4.196,23 4.191,24 6.163,25 4.104,26 5.08,27 5.324,28 4.213,29 4.148,30 6.212,31 4.068,32 4.939,33 5.116,34 4.222,35 4.061,36 6.247,37 4.024,38 4.897,39 5.075,40 4.269,41 4.076,42 6.184,43 4.053,44 4.967,45 5.141,46 4.235,47 4.089,48 6.214,49 4.063,50 4.962,51 5.162,52 4.168,53 4.083,54 6.316,55 4.032,56 0.12,57 0.848,58 14.413,59 6.242,60 20.3,61 7.19,62 0.573,63 1.314,64 26.73,65 9.875,66 75.757,67 12.337,68 0.879,69 1.587,70 33.495,71 11.977,72 98.427,73 14.76,74 0.683,75 1.707,76 42.269,77 13.144,78 87.436,79 17.325,80 0.998,81 1.526,82 36.137,83 9.978,84 126.743,85 11.909,86 0.676,87 1.492,88 37.459,89 11.088,90 88.07,91 12.96,92 0.767,93 1.538,94 35.633,95 10.471,96 114.932,97 12.415,98 1.158,99 1.522,100 37.463,101 10.583,102 150.784,103 12.948,104 54,105 49,106 0.27,107 0.568,108 0.709,109 0.776,110 0.809,111 0.809,112 3.502,113 1.043,114 -4.69,115 -4.61,116 -4.33,120 39,121 4,122 1,126 1,128 1,131 1,143 9,144 3,160 1,162 1,163 1,167 1,174 14,176 4,177 3,180 2,182 1,185 19,188 4,189 4,192 2,194 1,197 10,200 2,201 14,204 1,206 5,209 2,213 4,214 16,219 2,226 2,227 22,230 2,232 1,235 3,240 22,245 1,247 4,251 4,252 12,257 2,260 9,264 6,269 2,271 12,274 1946,275 20.436,276 20.436,277 20.436,278 20.436,279 20.436,280 17.922,281 22.925,282 11.996,283 20.95,284 16.848,285 16.848,286 16.848,287 16.848,288 16.848,289 13.054,290 28.702,291 5.791,292 17.705,293 4.217,294 2.374,295 1.501,296 1.085,297 0.882,298 0.882,299 4.174,306 1,307 1,308 749,309 4.95,312 103.985,313 254.06,320 1.826,321 45.477,324 1,325 0.83,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.85,332 70.5,333 361,334 4.866,335 5.263,336 7.314,337 4.271,338 3.407,339 4.719,340 3.272,341 12.541,342 2.955,343 4.184,344 3.772,345 6.448,346 4.073,347 3.135,348 3.657,349 2.187,350 10.163,351 2.919,352 4.1,353 3.253,354 6.189,355 3.84,356 2.873,357 3.562,358 0.599,359 9.277,360 2.756,361 4.003,362 3.116,363 5.524,364 3.594,365 2.601,366 3.414,367 0.232,368 7.42,369 2.569,370 3.852,371 2.968,372 5.331,373 3.426,374 2.435,375 3.202,377 6.92,378 2.401,379 3.501,380 2.638,381 5.022,382 3.12,383 2.155,384 2.655,386 5.986,387 2.053,388 3.264,389 2.525,390 4.843,391 2.912,392 1.922,393 2.506,395 5.351,396 1.897,397 3.092,398 2.019,399 4.597,400 2.666,401 1.69,402 2.239,404 4.725,405 1.64,406 2.861,407 1.643,408 4.071,409 2.404,410 1.417,411 1.998,413 3.242,414 1.393,415 2.662,416 1.434,417 3.565,418 2.187,419 1.188,420 1.737,422 2.682,423 1.186,424 2.5,425 1.214,426 3.482,427 2,428 1,429 1.5,431 2.57,432 1,433 2.307,434 1,435 3.283,436 1.869,437 0.931,438 1.223,440 2.136,441 0.866,442 2.132,443 0.85,444 3.247,445 1.649,446 0.662,447 0.968,449 1.634,450 0.652,451 1.202,452 0.723,453 3.112,454 0.912,455 -0.04,456 -0.044,458 -0.112,459 -0.038,460 1.139,461 0.526,462 3.035,463 0.834,464 -0.126,465 -0.159,467 -0.357,468 -0.119,469 15.2,470 0.475,471 1.156,472 0.036,473 40.25,474 1.258,475 20.5,476 0.641,477 19.75,478 0.617,479 30.177,480 0.943,481 35.8,482 0.607,483 34.075,484 1.065,485 7.78,486 0.243,487 7.236,488 0.226,489 0.197,490 0.088,491 0.23,496 0.616,497 1.26,498 0.835,499 1.259,500 0.655,501 1.028,502 0.542,503 1.137,504 0.822,505 1.135,506 0.515,507 0.955,508 1.129,509 1.117,510 1.071,511 1.074,512 1.018,513 1.185,514 0.941,515 1,516 0.787,517 0.884,518 0.812,519 0.8,520 1.623,521 1.03,522 1.206,523 0.932,524 1.814,525 0.926,526 1.292,527 1.139,528 1.193,529 1.136,530 1.131,531 0.818,532 1.762,533 1.143,534 1.059,535 0.965,536 1.804,537 0.969,538 1.454,539 0.759,540 1.082,541 0.698,542 0.894,543 0.756,544 10,545 0.173,546 3.333,547 2.465,548 1.998,549 1.139,550 0.924,551 0.852,552 0.499,553 0.433,554 13135,555 36803,556 1.961,557 45.8,558 3,559 12,562 1,564 11,567 1.75,568 1.794,569 3.434,570 -0.31,572 1,575 98.288,576 1.666,577 3.509,578 4.381,579 4.797,580 5.001,581 5.001,582 2.844,583 4.39,584 4.97,585 3.685,586 1827.67,587 8.725,588 27196.6,593 347.076,594 1.709,595 4.892,596 0.294,597 0.005,598 0.068,599 0.056,600 0.043,601 0.025,602 0.018,603 0.019,604 0.011,605 0.013,606 0.551,607 0.17,608 1,609 1.261,610 168.024,611 0.069,612 -0.036,613 0.18,614 -0.053,615 -0.114,616 0.006,617 0.368,618 -0.042,619 0.169,620 -0.054,621 0.265,622 0.045,623 0.033,624 -0.093,625 -0.141,626 -0.1,627 -0.067,628 -0.235,629 0.049,630 -0.041,631 0.22,632 0.06,633 0.109,634 0.173,635 -0.132,636 0.044,637 -0.109,638 0.032,639 -0.204,640 -0.045,641 -0.007,642 -0.061,643 0.038,644 -0.032,645 0.081,646 0.131,647 -0.307,648 -0.117,649 -0.074,650 -0.045,651 -0.29,652 -0.076,653 -0.048,654 0.265,655 -0.03,656 0.239,657 0.208,658 0.146,659 4.774,660 5.809,661 0.531,662 34.313,663 1.011,664 1.126,665 3.462,666 11.987,667 0.662,668 3.555,669 3.912,670 4.025,671 4.277,672 4.394,673 4.5,674 4.543,675 4.71,676 4.71,677 4.754,678 7.16,679 0.63,680 457.6,681 3.555,682 5.118,683 5.927,684 6.817,685 7.645,686 8.538,687 9.377,688 10.271,689 11.119,690 12.014,691 5.1,698 1,701 2,709 9,710 2,712 1,714 5,716 17,738 59,739 20,740 2,741 34,743 61,744 23,745 14,746 3,747 9,752 3,753 3,759 4,766 2,768 15,769 8,770 1,772 3,776 1,778 3,782 1,786 1,789 27,790 8,791 1,792 9,793 1,797 3,803 1,804 5,822 1,823 2,852 1,855 3,857 1,859 4,862 32,865 1,869 2,871 1,872 1,874 1,876 1,886 8.5,889 3,891 2,893 17.833,894 11.733,895 6.778,896 3.341,898 2.638,899 1.364,900 0.936,901 7.374,902 9.877,903 3.839,904 4.446,905 4.835,906 5.36,907 5.73,908 5.901,909 6.033,910 6.491,911 6.691,912 6.965,913 1,914 44,915 12.185,917 5.492,918 7.969,919 22.268,921 18.104,924 2.469,925 79,928 1,929 306.049,930 154.792,931 51.337,933 89.965,935 6.046,936 148.746,937 396.014,938 51.337,939 35.301,940 21.445,941 91.332,942 107.804,943 33.449,944 6.763,945 306.049,947 306.049,948 200.082,949 89.965,950 6.046,952 176.567,953 219.447,956 65.151,957 101.605,958 39.372,960 306.049,961 141.302,962 154.792,964 6.046,965 306.049,966 28.159,967 120.587,968 18.011,969 123.291,970 306.049,971 141.302,972 154.792,973 0.593,974 0.301,975 0.159,976 0.081,977 22,978 11,979 0.148,980 9,982 1,983 4.169,984 282.099,986 17,987 147.245,992 1,993 23.964,994 9.846,995 7.172,997 141.302,998 16.573,999 7.676,1001 5.536,1003 1.974,1005 18.011,1006 602.142,1007 45.5,1011 -3.857,1013 37.985,1017 -0.666,1020 59.622,1021 66.444,1022 0.283,1023 0.596,1024 0.745,1025 0.815,1026 0.85,1027 0.85,1028 5.095,1029 1.69,1030 5.984,1031 5.351,1032 4.595,1033 5.133,1034 3.45,1035 6.823,1036 4.494,1037 6.346,1038 1.417,1039 7.571,1040 4.725,1041 4.511,1042 5.207,1043 1.784,1044 8.089,1045 4.297,1046 7.694,1047 1.188,1048 9.272,1049 3.242,1050 6.304,1051 7.38,1052 5.57,1053 11.029,1054 6.052,1055 9.078,1056 1,1057 11.043,1058 2.682,1059 6.957,1060 8.229,1061 3.59,1062 13.073,1063 6.556,1064 10.494,1065 0.931,1066 12.86,1067 2.57,1068 8.336,1069 9.977,1070 7.86,1071 15.671,1072 7.886,1073 11.934,1074 0.662,1075 14.709,1076 2.136,1077 9.293,1078 11.185,1079 5.291,1080 18.001,1081 8.684,1082 13.394,1083 -0.04,1084 16.584,1085 1.634,1086 10.536,1087 12.788,1088 10.2,1089 20.519,1090 9.853,1091 3.407,1092 -0.126,1093 18.477,1094 -0.112,1095 11.624,1096 14.17,1097 6.934,1098 22.957,1099 10.786,1100 3.135,1101 12.541,1102 20.386,1103 -0.357,1104 12.824,1105 15.725,1106 12.558,1107 25.463,1108 11.889,1109 2.873,1110 10.163,1111 22.308,1112 4.719,1113 13.97,1114 17.194,1115 8.544,1116 27.946,1117 12.887,1118 2.601,1119 9.277,1120 24.239,1121 3.657,1122 15.161,1123 18.736,1124 14.924,1125 30.455,1126 13.963,1127 2.435,1128 7.42,1129 26.18,1130 3.562,1131 16.335,1132 20.246,1133 10.136,1134 32.959,1135 14.992,1136 2.155,1137 6.92,1138 28.127,1139 3.414,1140 17.528,1141 21.788,1142 17.292,1143 35.473,1144 16.059,1145 1.922,1146 5.986,1147 30.081,1148 3.202,1149 18.716,1150 23.319,1151 11.717,1152 37.987,1153 17.105,1154 13003,1155 22044,1156 21.553,1157 39.074,1158 51.852,1159 53.939,1160 51.657,1161 50.936,1162 50.832,1163 66.755,1164 12.581,1165 149.293,1166 48.576,1167 5.795,1168 7.263,1169 7.116,1170 5.405,1171 5.407,1172 7.719,1173 6.545,1174 19.992,1175 4.955,1176 19.822,1177 1.525,1178 1.586,1179 1.519,1180 1.498,1181 1.495,1182 1.963,1183 0.37,1184 4.391,1185 1.429,1186 4.107,1187 4.089,1188 4.745,1189 4.069,1190 7.715,1191 3.985,1192 3.928,1193 3.957,1194 3.874,1195 3.865,1196 7.435,1197 3.856,1198 3.861,1199 3.877,1200 3.826,1201 3.788,1202 6.999,1203 3.751,1204 3.747,1205 3.783,1206 3.695,1207 3.569,1208 5.213,1209 3.572,1210 3.611,1211 3.632,1212 3.593,1213 3.449,1214 4.754,1215 3.447,1216 3.331,1217 3.371,1218 3.278,1219 3.065,1220 4.726,1221 3.087,1222 3.163,1223 3.23,1224 3.011,1225 2.974,1226 4.564,1227 2.973,1228 3.118,1229 3.163,1230 2.982,1231 2.889,1232 4.069,1233 2.925,1234 0.143,1235 0.155,1236 0.215,1237 0.126,1238 0.1,1239 4.866,1240 0.139,1241 5.263,1242 0.096,1243 7.314,1244 0.369,1245 4.271,1246 0.087,1247 3.407,1248 4.719,1249 3.272,1250 12.541,1251 2.955,1252 1.965,1253 1.963,1254 2.055,1255 2.035,1256 1.271,1257 2.068,1258 1.924,1259 1.894,1260 2.053,1261 2.016,1262 1.237,1263 2.029,1264 1.701,1265 1.723,1266 1.946,1267 1.907,1268 1.118,1269 1.916,1270 1.681,1271 1.651,1272 1.719,1273 1.803,1274 0.964,1275 1.842,1276 1.542,1277 1.495,1278 1.604,1279 1.743,1280 0.899,1281 1.743,1282 1.202,1283 1.132,1284 1.431,1285 1.415,1286 0.575,1287 1.456,1288 1.03,1289 1.002,1290 1.417,1291 1.372,1292 0.469,1293 1.308,1294 0.963,1295 0.929,1296 1.417,1297 1.239,1298 0.469,1299 1.308,1300 4.234,1302 5.58,1303 2.398,1304 7.083,1305 4.595,1306 8.656,1307 6.629,1308 10.267,1310 7.141,1315 0.054,1317 2.708,1318 5.334,1320 -0.761,1322 -0.696,1326 37.147,1327 98.288,1328 207.021,1329 258.508,1330 283.037,1331 295.037,1332 295.037,1333 88.066,1334 7.239,1335 111.39,1336 119.77,1337 17,1338 12.549,1339 4.392,1340 3.644,1341 60.834,1342 134,1343 132,1344 0.215,1345 234.363,1346 408.38,1347 563.605,1348 12712,1350 23.355,1351 0.73,1352 0.605,1353 23.605,1354 19.348,1355 15.016,1356 0.442,1357 0.348,1358 10.171,1359 13.671,1360 9.598,1361 8.078,1362 15.837,1363 11.821,1364 15.206,1365 0.31,1366 0.212,1367 16.507,1368 10.41,1369 10.132,1370 0.184,1371 0.106,1372 11.223,1373 5.809,1374 8.788,1375 0.124,1376 0.059,1377 9.808,1378 4.189,1379 6.034,1380 0.075,1381 0.034,1382 7.001,1383 2.75,1384 0.336,1385 102.778,1386 0.215,1387 29.872,1388 0.595,1389 166,1390 547.161,1391 225.308,1392 540.771,1393 719.47,1394 496,1395 187,1396 501.683,1397 251.521,1398 537.433,1399 771.85,1400 497,1401 5.659}
{0 CHEMBL1470544,1 1.867,2 10.609,3 2.056,4 4.229,5 86.654,6 8.626,7 0.25,8 3.776,9 3.874,10 3.503,11 3.253,12 4.993,13 3.249,14 4.279,15 4.441,16 3.859,17 3.523,18 5.568,19 3.515,20 4.372,21 4.531,22 3.874,23 3.56,24 5.67,25 3.564,26 4.283,27 4.431,28 3.764,29 3.53,30 5.563,31 3.492,32 4.312,33 4.477,34 3.64,35 3.533,36 5.596,37 3.447,38 4.195,39 4.375,40 3.619,41 3.483,42 5.313,43 3.424,44 4.263,45 4.458,46 3.632,47 3.444,48 5.566,49 3.401,50 4.236,51 4.434,52 3.386,53 3.383,54 5.39,55 3.306,56 0.141,57 0.592,58 6.717,59 3.585,60 8.638,61 3.954,62 0.542,63 0.863,64 17.936,65 5.284,66 34.212,67 6.418,68 0.655,69 0.875,70 18.843,71 5.395,72 54.14,73 5.746,74 0.49,75 0.829,76 15.676,77 5.605,78 50.678,79 5.995,80 0.708,81 0.844,82 22.483,83 6.497,84 61.564,85 6.888,86 0.322,87 0.809,88 17.045,89 5.627,90 24.986,91 6.768,92 0.556,93 0.814,94 16.424,95 4.956,96 40.811,97 6.41,98 0.525,99 0.738,100 16.709,101 5.043,102 52.401,103 5.771,104 31,105 32,106 0.336,107 0.68,108 0.858,109 0.867,110 0.867,111 0.867,112 3.187,113 0.978,114 -4.1,115 -4.05,116 -3.83,120 35.9,121 2,125 1,126 2,136 2,143 1,147 1,148 1,151 1,159 3,167 1,174 1,176 5,177 11,185 1,188 2,189 6,200 2,201 6,209 3,213 6,214 2,222 2,226 1,227 3,235 2,239 4,240 10,247 2,263 3,264 5,271 2,274 780,275 15.11,276 15.11,277 15.11,278 15.11,279 15.11,280 13.739,281 19.51,282 9.103,283 15.828,284 11.816,285 11.816,286 11.816,287 11.816,288 11.816,289 9.47,290 20.468,291 4.307,292 12.887,293 3.418,294 1.509,295 0.52,296 0.468,297 0.468,298 0.468,299 3.847,305 1,306 1,307 1,308 496,309 3.317,313 163.779,320 1.8,321 30.952,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 52,333 244,334 4.23,335 4.468,336 5.965,337 3.82,338 2.883,339 3.841,340 3.42,341 8.512,342 2.732,343 4.101,344 3.656,345 5.76,346 3.688,347 2.759,348 3.465,349 2.218,350 8.096,351 2.541,352 3.666,353 3.609,354 5.299,355 3.326,356 2.387,357 2.851,358 1.23,359 6.751,360 2.22,361 3.565,362 3.152,363 5.044,364 3.165,365 2.246,366 2.762,367 1.058,368 6.094,369 2.047,370 3.286,371 2.746,372 4.83,373 2.852,374 1.952,375 2.525,376 0.277,377 5.48,378 1.73,379 3.197,380 2.424,381 4.684,382 2.716,383 1.79,384 2.401,386 5.089,387 1.635,388 2.824,389 2.2,390 4.041,391 2.409,392 1.414,393 1.768,395 3.523,396 1.4,397 2.158,398 1.839,399 3.284,400 2.005,401 1.104,402 1.139,404 2.007,405 0.979,406 1.942,407 1.809,408 3.029,409 1.354,410 0.502,411 0.58,413 0.995,414 0.411,415 1.753,416 0.983,417 2.772,418 1.289,419 0.299,420 0.432,422 0.705,423 0.289,424 1.217,425 0.607,426 2.4,427 0.729,428 -0.178,429 -0.236,431 -0.472,432 -0.161,433 0.941,434 0.414,435 2.364,436 0.559,437 -0.394,438 -0.487,440 -0.836,441 -0.37,442 0.74,443 0.355,444 2.24,445 0.404,446 -0.53,447 -0.581,449 -1.029,450 -0.478,451 0.653,452 -0.132,453 2,454 0.331,455 -0.633,456 -0.752,458 -1.631,459 -0.6,460 0.423,461 -0.28,462 1.7,463 0.194,464 -0.777,465 -0.938,467 -2.009,468 -0.733,469 10.767,470 0.468,471 0.612,472 0.027,473 28.25,474 1.228,475 13,476 0.565,477 15.25,478 0.663,479 17.857,480 0.776,481 25.833,482 0.662,483 20.68,484 0.899,485 5.69,486 0.247,487 5.284,488 0.23,489 0.201,491 0.316,496 0.753,497 1.465,498 0.69,499 1.153,500 0.606,501 1.028,502 0.761,503 1.207,504 0.878,505 1.079,506 0.539,507 0.833,508 1.456,509 0.934,510 0.946,511 0.82,512 1.248,513 0.781,514 1.241,515 1.116,516 1.018,517 1.066,518 1.386,519 1.073,520 1.046,521 0.955,522 1.623,523 1.258,524 0.892,525 1.085,526 0.74,527 1.318,528 1.064,529 1.277,530 0.559,531 1.047,532 0.675,533 1.034,534 0.887,535 0.977,536 0.668,537 0.989,538 1.396,539 0.864,540 1.201,541 0.871,542 1.412,543 1.036,544 6,545 0.078,546 2,547 1.625,548 1.107,549 0.549,550 0.528,551 0.33,552 0.292,553 0.117,554 5408,555 19555,556 1.946,557 41,559 10,563 3,564 3,567 1.656,568 1.792,569 3.379,570 -0.601,571 1,572 1,574 1,575 72.828,576 1.867,577 3.776,578 4.766,579 4.817,580 4.817,581 4.817,582 2.877,583 4.437,584 4.491,585 3.526,586 891.965,587 7.731,588 10482.8,589 1,590 1,592 1,593 206.131,594 1.51,595 4.433,596 0.25,597 0.008,598 0.063,599 0.052,600 0.041,601 0.022,602 0.02,603 0.013,604 0.015,605 0.008,606 0.492,607 0.33,608 1,609 1.659,610 109.202,611 -0.029,612 -0.267,613 0.071,614 -0.126,615 -0.066,616 -0.083,617 0.202,618 -0.123,619 0.173,620 -0.021,621 0.164,622 0.12,623 -0.25,624 0.107,625 0.029,626 0.137,627 -0.178,628 0.108,629 -0.188,630 -0.057,631 -0.061,632 -0.054,633 -0.216,634 -0.145,635 0.021,636 0.126,637 -0.333,638 -0.031,639 0.013,640 -0.105,641 -0.016,642 -0.248,643 -0.01,644 -0.161,645 0.026,646 -0.023,647 0.183,648 0.013,649 0.024,650 -0.053,651 0.132,652 -0.046,653 -0.37,654 0.125,655 -0.253,656 0.063,657 -0.299,658 -0.098,659 1.996,660 4.374,661 0.522,662 21.214,663 1.028,664 1.134,665 2.869,666 8.232,667 0.668,668 3.219,669 3.497,670 3.638,671 3.829,672 3.989,673 4.007,674 4.025,675 4.094,676 4.159,677 4.078,678 6.203,679 0.649,680 336.41,681 3.219,682 4.727,683 5.525,684 6.372,685 7.188,686 8.039,687 8.863,688 9.717,689 10.546,690 11.402,691 10.3,698 1,700 1,701 2,709 1,710 2,714 3,716 6,735 1,738 39,739 10,741 24,743 40,744 14,745 4,748 4,752 2,753 2,759 2,768 9,769 5,772 4,778 2,780 2,781 1,782 3,785 1,786 1,789 16,790 8,792 9,793 1,797 4,803 1,804 4,817 1,823 2,841 1,845 2,855 2,856 1,857 1,859 3,862 23,869 2,872 2,873 1,875 1,886 10.3,889 2,891 2,893 12.833,894 8.133,895 5.194,896 2.276,898 1.893,899 1.29,900 0.91,901 6.134,902 8.412,903 3.466,904 3.961,905 4.379,906 4.823,907 5.28,908 5.424,909 5.585,910 5.891,911 6.208,912 6.267,913 1,914 31,915 8.453,917 3.419,918 8.058,919 15.526,921 11.58,924 2.558,925 58.833,929 188.338,930 117.162,931 53.236,933 72.29,935 32.22,936 84.943,937 260.627,938 53.236,939 26.047,940 8.494,941 28.429,942 100.571,943 41.42,944 5.508,945 220.557,947 188.338,948 138.178,949 72.29,950 32.22,952 153.024,953 107.603,956 46.257,957 39.398,958 52.524,959 32.22,960 188.338,961 125.525,962 117.162,965 188.338,966 62.687,967 57.477,969 122.524,970 188.338,971 125.525,972 117.162,973 0.571,974 0.312,975 0.157,976 0.083,977 13,978 7,979 0.175,980 7,982 1,983 3.51,984 166.664,986 12,987 104.042,989 1,993 17.445,994 8.087,995 5.34,997 125.525,998 1.64,999 8.435,1003 1.374,1006 431.025,1007 31,1013 22.681,1015 2.817,1016 3.967,1017 -0.321,1020 40.094,1021 44.242,1022 0.353,1023 0.714,1024 0.902,1025 0.911,1026 0.911,1027 0.911,1028 4.687,1029 1.104,1030 5.501,1031 3.523,1032 4.174,1033 4.644,1034 3.63,1035 6.225,1036 4.016,1037 5.873,1038 0.502,1039 7.011,1040 2.007,1041 3.761,1042 4.425,1043 2.243,1044 6.899,1045 3.571,1046 7.156,1047 0.299,1048 8.609,1049 0.995,1050 5.694,1051 6.691,1052 5.706,1053 9.915,1054 5.386,1055 8.465,1056 -0.178,1057 10.253,1058 0.705,1059 5.994,1060 7.173,1061 4.601,1062 11.299,1063 5.657,1064 9.798,1065 -0.394,1066 11.924,1067 -0.472,1068 7.44,1069 8.977,1070 8.043,1071 13.838,1072 7.002,1073 11.147,1074 -0.53,1075 13.613,1076 -0.836,1077 8.09,1078 9.811,1079 7.073,1080 15.564,1081 7.619,1082 12.509,1083 -0.633,1084 15.315,1085 -1.029,1086 9.32,1087 11.405,1088 10.446,1089 17.895,1090 8.764,1091 2.883,1092 -0.777,1093 17.028,1094 -1.631,1095 10.155,1096 12.438,1097 9.629,1098 19.804,1099 9.557,1100 2.759,1101 8.512,1102 18.748,1103 -2.009,1104 11.282,1105 13.922,1106 12.87,1107 22.032,1108 10.613,1109 2.387,1110 8.096,1111 20.475,1112 3.841,1113 12.214,1114 15.074,1115 12.213,1116 24.041,1117 11.497,1118 2.246,1119 6.751,1120 22.209,1121 3.465,1122 13.294,1123 16.496,1124 15.301,1125 26.218,1126 12.513,1127 1.952,1128 6.094,1129 23.947,1130 2.851,1131 14.277,1132 17.719,1133 14.795,1134 28.281,1135 13.444,1136 1.79,1137 5.48,1138 25.691,1139 2.762,1140 15.335,1141 19.106,1142 17.735,1143 30.432,1144 14.443,1145 1.414,1146 5.089,1147 27.438,1148 2.525,1149 16.347,1150 20.372,1151 17.364,1152 32.524,1153 15.4,1154 5555,1155 10716,1156 15.315,1157 26.057,1158 35.614,1159 39.438,1160 36.08,1161 34.665,1162 34.672,1163 43.527,1164 16.407,1165 94.505,1166 31.97,1167 5.111,1168 6.468,1169 5.739,1170 4.962,1171 4.883,1172 6.841,1173 6.747,1174 14.695,1175 4.67,1176 13.808,1177 1.484,1178 1.643,1179 1.503,1180 1.444,1181 1.445,1182 1.814,1183 0.684,1184 3.938,1185 1.332,1186 3.904,1187 3.939,1188 4.015,1189 3.749,1190 7.433,1191 3.759,1192 3.776,1193 3.821,1194 3.785,1195 3.607,1196 7.428,1197 3.626,1198 3.617,1199 3.641,1200 3.604,1201 3.415,1202 5.051,1203 3.411,1204 3.335,1205 3.393,1206 3.326,1207 3.213,1208 4.755,1209 3.158,1210 3.202,1211 3.287,1212 3.078,1213 2.963,1214 4.463,1215 2.967,1216 3.124,1217 3.202,1218 2.977,1219 2.897,1220 4.191,1221 2.898,1222 2.962,1223 2.975,1224 2.94,1225 2.726,1226 3.965,1227 2.752,1228 2.744,1229 2.767,1230 2.755,1231 2.559,1232 3.931,1233 2.564,1234 0.176,1235 0.186,1236 0.249,1237 0.159,1238 0.12,1239 4.23,1240 0.16,1241 4.468,1242 0.143,1243 5.965,1244 0.355,1245 3.82,1246 0.114,1247 2.883,1248 3.841,1249 3.42,1250 8.512,1251 2.732,1252 1.789,1253 1.757,1254 1.881,1255 1.984,1256 0.956,1257 1.953,1258 1.694,1259 1.655,1260 1.818,1261 1.892,1262 0.929,1263 1.873,1264 1.526,1265 1.489,1266 1.809,1267 1.787,1268 0.834,1269 1.787,1270 1.328,1271 1.275,1272 1.541,1273 1.521,1274 0.79,1275 1.554,1276 1.187,1277 1.091,1278 1.516,1279 1.448,1280 0.59,1281 1.482,1282 1.091,1283 1.014,1284 1.386,1285 1.36,1286 0.411,1287 1.378,1288 0.79,1289 0.782,1290 0.998,1291 1.089,1292 0.113,1293 1.022,1294 0.644,1295 0.62,1296 0.843,1297 0.913,1299 0.939,1300 3.892,1302 5.176,1304 6.637,1306 8.185,1308 9.777,1310 5.066,1315 0.454,1318 10.394,1319 1.161,1321 1.166,1326 25.293,1327 72.828,1328 147.27,1329 185.866,1330 187.866,1331 187.866,1332 187.866,1333 45.456,1334 6.519,1335 96.2,1336 121.5,1337 12,1338 11.961,1339 3.459,1340 3,1341 45.35,1342 84,1343 94,1344 0.263,1345 164.078,1346 294.33,1347 392.11,1348 5174,1350 16.82,1351 0.731,1352 0.6,1353 17.173,1354 13.793,1355 10.974,1356 0.457,1357 0.326,1358 6.764,1359 9.825,1360 6.439,1361 5.391,1362 11.428,1363 7.825,1364 9.885,1365 0.309,1366 0.169,1367 10.462,1368 5.402,1369 7.361,1370 0.199,1371 0.092,1372 8.061,1373 3.401,1374 5.828,1375 0.13,1376 0.051,1377 6.538,1378 2.292,1379 4.288,1380 0.081,1381 0.027,1382 4.958,1383 1.421,1384 0.415,1385 75.146,1386 0.256,1387 22.869,1388 0.709,1389 112,1390 458.383,1391 156.204,1392 443.764,1393 589.14,1394 414,1395 125,1396 411.505,1397 163.33,1398 416.925,1399 605.23,1400 389,1401 4.552}
{0 CHEMBL1470676,1 1.675,2 9.739,3 3.697,4 13.67,5 92.12,6 8.714,7 0.68,8 3.717,9 3.813,10 3.477,11 3.369,12 4.945,13 3.327,14 4.182,15 4.324,16 3.823,17 3.706,18 5.317,19 3.644,20 4.305,21 4.461,22 3.889,23 3.773,24 5.446,25 3.695,26 4.368,27 4.561,28 3.871,29 3.736,30 5.542,31 3.631,32 4.248,33 4.425,34 3.526,35 3.58,36 5.422,37 3.472,38 4.144,39 4.354,40 3.457,41 3.429,42 5.278,43 3.342,44 4.106,45 4.348,46 3.42,47 3.327,48 5.288,49 3.231,50 3.852,51 4.035,52 3.195,53 3.153,54 5.061,55 3.102,56 0.039,57 0.54,58 5.794,59 3.233,60 8.466,61 3.689,62 0.169,63 0.852,64 14.088,65 5.803,66 14.392,67 6.664,68 0.176,69 0.972,70 15.039,71 6.099,72 19.503,73 6.658,74 0.215,75 1.049,76 17.98,77 6.746,78 29.661,79 7.643,80 0.283,81 0.948,82 20.045,83 6.471,84 34.868,85 6.269,86 0.155,87 0.8,88 13.063,89 5.176,90 28.399,91 6.221,92 0.216,93 0.768,94 16.901,95 5.751,96 39.682,97 6.832,98 0.272,99 0.608,100 11.932,101 3.677,102 26.604,103 3.308,104 11,105 34,106 0.297,107 0.642,108 0.734,109 0.819,110 0.832,111 0.832,112 3.188,113 0.966,114 -4.68,115 -4.59,116 -4.32,120 45.9,121 2,126 1,143 6,144 3,147 1,148 1,159 1,162 2,167 1,174 9,176 2,177 7,185 11,189 9,197 5,200 1,201 11,209 5,213 2,214 6,222 1,226 1,227 5,235 2,239 2,240 8,247 3,251 1,252 5,260 4,264 3,271 7,274 683,275 15.662,276 15.662,277 15.662,278 15.662,279 15.662,280 13.459,281 11.028,282 9.309,283 15.99,284 12.287,285 12.287,286 12.287,287 12.287,288 12.287,289 8.947,290 10.458,291 4.34,292 12.824,293 3.535,294 1.595,295 1.075,296 0.602,297 0.527,298 0.527,299 3.868,305 1,306 1,307 1,308 476,309 2.55,312 63.918,313 159.17,320 1.622,321 18.027,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 49,333 224,334 4.439,335 4.488,336 6.471,337 3.994,338 3.037,339 4.129,340 3.272,341 10.021,342 2.916,343 4.291,344 4.035,345 6.181,346 3.895,347 2.915,348 3.952,349 2.035,350 9.221,351 2.857,352 3.753,353 3.151,354 5.323,355 3.342,356 2.377,357 3.259,359 6.853,360 2.29,361 3.598,362 2.871,363 5.044,364 3.096,365 2.126,366 2.86,368 5.908,369 2.059,370 3.316,371 2.612,372 5.01,373 2.893,374 1.978,375 2.563,377 5.739,378 1.787,379 3.142,380 2.309,381 4.336,382 2.679,383 1.701,384 2.353,386 4.203,387 1.659,388 3.107,389 2.13,390 3.622,391 2.126,392 1.169,393 1.633,395 2.701,396 1.11,397 2.576,398 1.656,399 3.476,400 2,401 1,402 1.5,404 2.21,405 1,406 2.5,407 1.309,408 3.266,409 1.923,410 0.988,411 1.492,413 2.136,414 0.912,415 2.174,416 1.063,417 3.247,418 1.667,419 0.683,420 1.014,422 1.661,423 0.671,424 1.841,425 1,426 3,427 1.309,428 0.457,429 0.594,431 0.988,432 0.381,433 1.362,434 0.675,435 2.646,436 0.728,437 -0.213,438 -0.348,440 -0.36,441 -0.2,442 0.925,443 0.267,444 2.329,445 0.549,446 -0.411,447 -0.521,449 -1.098,450 -0.383,451 0.743,452 -0.168,453 2.243,454 0.345,455 -0.638,456 -0.761,458 -1.49,459 -0.623,460 0.5,461 -0.497,462 2.03,463 0.182,464 -0.757,465 -0.971,467 -1.812,468 -0.711,469 11.267,470 0.49,471 0.503,472 0.022,473 33.75,474 1.467,475 19.5,476 0.848,477 14.25,478 0.62,479 16.177,480 0.703,481 22.933,482 0.62,483 21.395,484 0.93,485 6.491,486 0.282,487 4.679,488 0.203,489 0.124,491 0.311,496 0.709,497 1.009,498 0.682,499 0.886,500 0.532,501 0.843,502 0.653,503 1.084,504 0.919,505 1.063,506 0.461,507 0.864,508 1.167,509 1.107,510 0.95,511 1.033,512 0.84,513 0.98,514 1.148,515 1.122,516 0.987,517 1.032,518 0.931,519 0.977,520 1.505,521 1.169,522 1.887,523 1.507,524 1.684,525 1.259,526 1.136,527 1.082,528 0.83,529 0.933,530 1.186,531 1.011,532 0.951,533 0.911,534 0.916,535 0.902,536 1.053,537 0.755,538 2.54,539 0.766,540 1.386,541 0.733,542 1.329,543 0.748,544 4.5,545 0.099,546 2.444,547 1.535,548 1.171,549 0.549,550 0.281,551 0.234,552 0.213,553 0.129,554 5876,555 17139,556 2.067,557 37.8,558 3,559 8,563 3,567 1.654,568 1.944,569 3.252,570 -0.729,572 1,574 1,575 61.96,576 1.675,577 3.614,578 4.134,579 4.608,580 4.682,581 4.682,582 2.666,583 4.089,584 4.499,585 3.45,586 872.854,587 7.727,588 10192.2,589 1,590 1,591 1,592 1,593 192.75,594 1.371,595 4.458,596 0.18,597 0.006,598 0.072,599 0.047,600 0.039,601 0.023,602 0.013,603 0.011,604 0.012,605 0.009,606 0.411,607 0.17,608 1,609 0.777,610 108.678,611 0.073,612 -0.006,613 0.069,614 0.003,615 0.053,616 -0.001,617 0.283,618 -0.094,619 0.101,620 -0.028,621 0.112,622 0.071,623 -0.107,624 -0.096,625 0.041,626 -0.041,627 -0.106,628 -0.068,629 -0.035,630 -0.107,631 0.129,632 0.016,633 0.073,634 -0.013,635 -0.221,636 -0.065,637 -0.573,638 -0.354,639 -0.328,640 -0.332,641 -0.032,642 -0.117,643 0.051,644 -0.039,645 -0.059,646 -0.056,647 0.219,648 0.06,649 0.247,650 0.159,651 0.274,652 0.291,653 -0.614,654 0.312,655 -0.304,656 0.246,657 -0.196,658 0.118,659 1.171,660 3.285,661 0.739,662 18.465,663 1.006,664 1.113,665 3.446,666 11.876,667 0.728,668 3.258,669 3.555,670 3.807,671 4.043,672 4.143,673 4.143,674 4.127,675 4.174,676 4.29,677 4.344,678 6.041,679 0.692,680 322.42,681 3.258,682 4.779,683 5.617,684 6.482,685 7.332,686 8.201,687 9.056,688 9.925,689 10.782,690 11.651,691 10.8,700 1,701 3,709 6,710 3,712 1,714 7,716 17,718 1,738 37,739 18,740 1,741 25,743 39,744 17,745 13,746 1,747 5,752 3,753 3,759 2,767 1,768 13,769 3,785 1,786 1,789 14,790 5,792 6,793 1,797 4,803 1,804 1,816 1,822 1,823 2,855 3,856 1,857 1,859 2,862 23,869 1,873 1,877 1,882 1,884 1,886 2.7,891 1,893 11.833,894 7.633,895 5.167,896 2.151,898 3.295,899 1.481,900 0.976,901 4.526,902 10.149,903 3.597,904 4.178,905 4.77,906 5.344,907 5.721,908 5.917,909 6.113,910 6.391,911 6.717,912 7.005,913 1,914 33,915 8.418,917 3.473,918 7.761,919 15.941,921 12.592,924 2.261,925 52,929 164.795,930 147.704,931 81.171,933 9.507,935 32.22,936 115.485,937 174.303,938 81.171,939 17.65,940 0.9,941 56.857,942 76.753,943 52.88,944 1.122,945 197.015,947 164.795,948 196.656,949 9.507,950 32.22,952 164.795,953 9.507,956 62.406,957 84.138,958 50.112,959 32.22,960 164.795,961 90.678,962 147.704,965 164.795,966 56.595,967 74.508,968 16.602,969 90.678,970 164.795,971 90.678,972 147.704,973 0.573,974 0.34,975 0.189,976 0.092,977 16,978 7,979 0.103,980 4,982 1,983 3.579,984 176.764,986 17,987 100.042,989 1,993 15.429,994 6.747,995 3.481,997 90.678,998 11.529,999 12.556,1001 5.672,1003 5.012,1006 403.178,1007 35.5,1020 37.229,1021 41.199,1022 0.321,1023 0.694,1024 0.794,1025 0.884,1026 0.899,1027 0.899,1028 4.814,1029 1,1030 5.587,1031 2.701,1032 4.234,1033 4.864,1034 3.424,1035 6.368,1036 4.154,1037 6.032,1038 0.988,1039 7.127,1040 2.21,1041 3.761,1042 4.559,1044 7.209,1045 3.663,1046 7.332,1047 0.683,1048 8.766,1049 2.136,1050 5.796,1051 7.057,1052 5.578,1053 10.287,1054 5.649,1055 8.667,1056 0.457,1057 10.464,1058 1.661,1059 6.155,1060 7.598,1062 11.961,1063 5.987,1064 10.032,1065 -0.213,1066 12.2,1067 0.988,1068 7.637,1069 9.515,1070 7.863,1071 14.539,1072 7.431,1073 11.418,1074 -0.411,1075 13.962,1076 -0.36,1077 8.382,1078 10.467,1080 16.556,1081 8.151,1082 12.821,1083 -0.638,1084 15.744,1085 -1.098,1086 9.638,1087 12.122,1088 10.199,1089 18.957,1090 9.373,1091 3.037,1092 -0.757,1093 17.54,1094 -1.49,1095 10.568,1096 13.287,1098 21.122,1099 10.274,1100 2.915,1101 10.021,1102 19.347,1103 -1.812,1104 11.728,1105 14.816,1106 12.557,1107 23.455,1108 11.402,1109 2.377,1110 9.221,1111 21.162,1112 4.129,1113 12.747,1114 16.092,1116 25.685,1117 12.388,1118 2.126,1119 6.853,1120 22.985,1121 3.952,1122 13.867,1123 17.559,1124 14.923,1125 27.991,1126 13.476,1127 1.978,1128 5.908,1129 24.813,1130 3.259,1131 14.927,1132 18.895,1134 30.252,1135 14.501,1136 1.701,1137 5.739,1138 26.646,1139 2.86,1140 16.032,1141 20.33,1142 17.292,1143 32.547,1144 15.573,1145 1.169,1146 4.203,1147 28.483,1148 2.563,1149 17.111,1150 21.697,1152 34.822,1153 16.617,1154 5713,1155 9915,1156 16.701,1157 26.932,1158 38.235,1159 42.417,1160 38.111,1161 36.816,1162 36.863,1163 50.699,1164 10.614,1165 103.283,1166 35.284,1167 5.279,1168 6.488,1169 6.273,1170 5.129,1171 5.037,1172 7.129,1173 6.545,1174 16.913,1175 4.916,1176 10.479,1177 1.529,1178 1.697,1179 1.524,1180 1.473,1181 1.475,1182 2.028,1183 0.425,1184 4.131,1185 1.411,1186 3.988,1187 4.012,1188 4.071,1189 3.897,1190 6.82,1191 3.892,1192 3.916,1193 3.945,1194 3.901,1195 3.842,1196 5.256,1197 3.84,1198 3.689,1199 3.722,1200 3.676,1201 3.492,1202 4.803,1203 3.51,1204 3.314,1205 3.384,1206 3.423,1207 3.177,1208 4.701,1209 3.17,1210 3.176,1211 3.242,1212 3.218,1213 3.082,1214 4.008,1215 3.027,1216 3.046,1217 3.108,1218 2.931,1219 2.884,1220 3.944,1221 2.876,1222 2.854,1223 2.925,1224 2.718,1225 2.735,1226 3.844,1227 2.715,1228 2.796,1229 2.881,1230 2.687,1231 2.642,1232 3.674,1233 2.632,1234 0.178,1235 0.18,1236 0.259,1237 0.16,1238 0.121,1239 4.439,1240 0.165,1241 4.488,1242 0.131,1243 6.471,1244 0.401,1245 3.994,1246 0.117,1247 3.037,1248 4.129,1249 3.272,1250 10.021,1251 2.916,1252 1.898,1253 1.874,1254 2.013,1255 1.99,1256 1.113,1257 1.996,1258 1.892,1259 1.867,1260 1.979,1261 1.981,1262 1.077,1263 1.991,1264 1.427,1265 1.405,1266 1.627,1267 1.632,1268 0.839,1269 1.624,1270 1.308,1271 1.239,1272 1.544,1273 1.515,1274 0.696,1275 1.555,1276 1.14,1277 1.105,1278 1.331,1279 1.398,1280 0.369,1281 1.346,1282 1.103,1283 1.029,1284 1.239,1285 1.33,1286 0.289,1287 1.332,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.761,1295 0.688,1296 1.015,1297 1.036,1299 1.036,1300 3.932,1302 5.231,1303 2.398,1304 6.723,1305 4.595,1306 8.303,1307 6.581,1308 9.929,1310 3.829,1315 0.477,1319 1.432,1324 9.285,1325 2.208,1326 25.622,1327 61.96,1328 133.73,1329 152.975,1330 170.485,1331 173.24,1332 173.24,1333 32.76,1334 6.854,1335 75.6,1336 100.9,1337 17,1338 12.197,1339 4.248,1340 3.524,1341 36.987,1342 85,1343 75,1344 0.216,1345 164.69,1346 277.78,1347 393.605,1348 8376,1350 16.234,1351 0.706,1352 0.591,1353 16.587,1354 13.593,1355 11.169,1356 0.447,1357 0.322,1358 7.069,1359 10.37,1360 6.713,1361 5.632,1362 11.623,1363 8.046,1364 9.801,1365 0.288,1366 0.176,1367 10.352,1368 5.992,1369 8.131,1370 0.185,1371 0.096,1372 8.839,1373 4.203,1374 6.989,1375 0.125,1376 0.056,1377 7.853,1378 3.119,1379 4.868,1380 0.079,1381 0.031,1382 5.611,1383 1.91,1384 0.341,1385 74.042,1386 0.245,1387 22.766,1388 0.582,1389 118,1390 369.176,1391 151.457,1392 384.908,1393 527.53,1394 360,1395 137,1396 381.017,1397 168.884,1398 399.296,1399 577.29,1400 373,1401 6.796}
{0 CHEMBL1470904,1 1.63,2 9.182,3 3.674,4 13.498,5 89.174,6 8.222,7 0.667,8 3.737,9 3.837,10 3.441,11 3.379,12 4.897,13 3.328,14 4.226,15 4.361,16 3.855,17 3.748,18 5.392,19 3.679,20 4.422,21 4.589,22 3.934,23 3.8,24 5.546,25 3.729,26 4.417,27 4.603,28 3.801,29 3.754,30 5.672,31 3.657,32 4.325,33 4.489,34 3.687,35 3.673,36 5.572,37 3.563,38 4.203,39 4.36,40 3.542,41 3.64,42 5.285,43 3.497,44 4.163,45 4.368,46 3.252,47 3.468,48 5.209,49 3.333,50 4.103,51 4.356,52 3.026,53 3.258,54 5.146,55 3.138,56 0.027,57 0.519,58 7.144,59 3.602,60 8.446,61 4.214,62 0.175,63 0.832,64 14.281,65 6.216,66 21.909,67 7.387,68 0.242,69 1.006,70 20.294,71 7.433,72 24.521,73 8.437,74 0.261,75 1.017,76 21.176,77 7.875,78 43.018,79 9.093,80 0.389,81 0.897,82 19.538,83 6.965,84 57.958,85 7.218,86 0.129,87 0.843,88 21.486,89 7.657,90 18.956,91 7.943,92 0.145,93 0.793,94 15.221,95 5.736,96 24.796,97 6.973,98 0.144,99 0.716,100 14.739,101 5.238,102 25.061,103 6.863,104 20,105 34,106 0.29,107 0.64,108 0.719,109 0.793,110 0.806,111 0.806,112 3.147,113 0.979,114 -4.43,115 -4.36,116 -4.11,120 44.7,121 2,128 1,143 7,144 2,145 1,147 1,153 1,159 1,162 1,164 1,165 1,166 1,174 8,176 1,177 6,182 1,185 10,187 1,189 5,194 2,197 7,199 2,201 6,203 3,204 3,206 1,209 7,211 1,213 2,214 3,222 9,227 2,232 3,235 7,237 3,240 4,245 2,247 4,249 2,252 4,257 2,260 2,262 2,264 4,269 1,271 2,273 1,274 590,275 14.637,276 14.637,277 14.637,278 14.637,279 14.637,280 12.675,281 8.583,282 8.616,283 14.996,284 11.844,285 11.844,286 11.844,287 11.844,288 11.844,289 8.858,290 8.963,291 4.099,292 12.459,293 3.618,294 1.657,295 1.208,296 0.796,297 0.724,298 0.724,299 3.824,305 1,306 1,307 1,308 427,309 3.162,312 46.709,313 124.326,316 85.648,320 1.562,321 20.999,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 47,333 202,334 4.666,335 3.715,336 6.788,337 4.176,338 3.236,339 4.615,340 1.674,341 11.098,342 3.041,343 4.187,344 3.11,345 6.169,346 3.807,347 2.828,348 3.774,350 9.132,351 2.764,352 3.845,353 2.773,354 5.878,355 3.458,356 2.501,357 3.258,359 7.978,360 2.375,361 3.38,362 2.435,363 5.045,364 3.015,365 2.076,366 2.722,368 5.648,369 1.939,370 3.147,371 2.041,372 4.707,373 2.807,374 1.833,375 2.441,377 5.008,378 1.782,379 3.108,380 1.713,381 4.416,382 2.593,383 1.683,384 2.199,386 4.348,387 1.508,388 2.755,389 1.62,390 4.056,391 2.29,392 1.309,393 1.804,395 3.231,396 1.268,397 2.557,398 1.139,399 3.51,400 2.045,401 1.066,402 1.535,404 2.642,405 1.034,406 2.5,407 1,408 3.41,409 2,410 1,411 1.5,413 2.136,414 1,415 2.133,416 0.847,417 3.247,418 1.572,419 0.681,420 0.958,422 1.754,423 0.59,424 0.988,425 0.57,426 2.589,427 0.607,428 -0.326,429 -0.387,431 -0.807,432 -0.295,433 0.898,434 -0.193,435 2.52,436 0.49,437 -0.453,438 -0.569,440 -1.136,441 -0.421,442 0.814,443 -0.472,444 2.264,445 0.378,446 -0.588,447 -0.813,449 -1.459,450 -0.556,451 0.574,452 -0.804,453 2.112,454 0.078,455 -0.907,456 -1,458 -2,459 -0.892,460 0.5,461 -0.902,462 1.822,464 -1,465 -1.33,467 -2.263,468 -1,469 10.8,470 0.491,471 0.613,472 0.028,473 29.5,474 1.341,475 16,476 0.727,477 13.5,478 0.614,479 16.81,480 0.764,481 22.8,482 0.6,483 19.791,484 0.9,485 5.642,486 0.256,487 4.917,488 0.223,489 0.16,491 0.37,496 0.786,497 0.98,498 0.731,499 0.844,500 0.767,501 0.829,502 0.699,503 1.046,504 0.726,505 0.897,506 0.525,507 0.828,508 1.213,509 1.129,510 0.837,511 0.971,512 0.897,513 0.874,514 0.93,515 1.021,516 1.074,517 1.075,518 1.032,519 0.956,520 1.767,521 0.831,522 1.328,523 0.918,524 2.218,525 0.947,526 1.014,527 1.303,528 1.89,529 1.657,530 0.912,531 1.24,532 0.982,533 1.162,534 1.205,535 1.145,536 1.007,537 1.227,538 0.904,539 0.92,540 0.85,541 0.883,542 0.804,543 0.979,544 4.5,545 0.066,546 2.667,547 2.014,548 1.089,549 0.695,550 0.597,551 0.297,552 0.176,553 0.1,554 4725,555 12939,556 2.043,557 42.1,559 8,562 2,564 6,567 1.645,568 1.886,569 3.197,570 0.304,572 1,574 1,575 61.934,576 1.63,577 3.591,578 4.04,579 4.451,580 4.524,581 4.524,582 2.72,583 3.914,584 4.426,585 3.322,586 767.446,587 7.609,588 8270.8,589 1,590 1,591 1,592 1,593 199.421,594 1.495,595 4.376,596 0.188,597 0.008,598 0.078,599 0.059,600 0.035,601 0.027,602 0.025,603 0.016,604 0.012,605 0.01,606 0.458,607 0.17,608 1,609 1.258,610 100.55,611 -0.063,612 0.067,613 0.051,614 0.076,615 -0.144,616 0.06,617 0.214,618 -0.046,619 0.2,620 0.088,621 0.148,622 0.108,623 -0.044,624 -0.121,625 0.166,626 0.016,627 -0.053,628 0.06,629 0.146,630 0.015,631 0.012,632 -0.046,633 0.194,634 -0.002,635 -0.217,636 0.21,637 -0.178,638 0.139,639 -0.311,640 -0.032,641 -0.134,642 -0.234,643 -0.415,644 -0.341,645 -0.04,646 -0.223,647 -0.178,648 -0.133,649 -0.291,650 -0.22,651 -0.157,652 -0.284,653 -0.057,654 0.054,655 -0.03,656 -0.041,657 0.024,658 -0.008,659 2.059,660 5.081,661 0.682,662 18.727,663 1.003,664 1.112,665 3.196,666 10.217,667 0.708,668 3.219,669 3.555,670 3.829,671 4.111,672 4.304,673 4.407,674 4.575,675 4.691,676 4.673,677 4.654,678 5.434,679 0.667,680 312.42,681 3.219,682 4.762,683 5.617,684 6.506,685 7.383,686 8.281,687 9.17,688 10.073,689 10.969,690 11.875,691 5.3,695 1,701 1,708 2,709 7,710 1,713 1,714 4,716 16,726 1,728 1,738 38,739 17,740 1,741 24,743 40,744 17,745 13,746 1,747 5,748 1,752 3,753 4,759 2,766 1,768 14,769 3,772 1,778 1,782 1,785 1,786 1,789 16,790 4,791 2,792 5,793 1,797 2,803 0.667,804 2,816 1,822 1,823 2,826 1,855 2,857 1,859 2,862 22,863 1,872 1,874 1,880 1,886 5.3,889 1,891 1,893 11.667,894 7.45,895 4.806,896 2.274,898 3.13,899 1.451,900 0.996,901 4.12,902 10.062,903 3.526,904 4.171,905 4.815,906 5.462,907 6.023,908 6.418,909 6.925,910 7.387,911 7.656,912 7.951,913 1,914 34,915 8.123,917 3.453,918 7.788,919 15.381,921 12.511,924 2.288,925 50.333,929 164.795,930 135.401,931 49.683,933 36.145,935 31.278,936 104.123,937 200.94,938 49.683,939 17.65,941 99.231,942 49.439,943 22.272,944 1.358,945 196.073,947 164.795,948 153.806,949 36.145,950 31.278,952 94.169,953 106.771,956 20.724,957 116.296,958 16.786,959 31.278,960 164.795,961 85.828,962 135.401,965 164.795,966 51.416,967 83.984,969 85.828,970 164.795,971 85.828,972 135.401,973 0.584,974 0.334,975 0.186,976 0.097,977 17,978 8,979 0.1,980 4,981 1,982 1.133,983 3.382,984 173.343,985 0.133,986 15,987 92.107,989 1,993 14.98,994 6.051,995 3.003,996 1.537,997 85.828,998 13.717,999 4.619,1002 1.272,1003 2.75,1005 32.897,1006 386.024,1007 33,1013 12.081,1017 -0.392,1020 38.12,1021 42.242,1022 0.311,1023 0.684,1024 0.77,1025 0.848,1026 0.862,1027 0.862,1028 4.754,1029 1.066,1030 5.617,1031 3.231,1032 4.234,1033 4.856,1034 1.888,1035 6.45,1036 4.135,1037 5.984,1038 1,1039 7.192,1040 2.642,1041 3.892,1042 4.732,1044 7.398,1045 3.746,1046 7.304,1047 0.681,1048 8.87,1049 2.136,1050 5.844,1051 7.133,1052 2.817,1053 10.521,1054 5.647,1055 8.664,1056 -0.326,1057 10.608,1058 1.754,1059 6.312,1060 7.867,1062 12.306,1063 6.057,1064 10.059,1065 -0.453,1066 12.384,1067 -0.807,1068 7.767,1069 9.75,1070 3.808,1071 14.95,1072 7.472,1073 11.48,1074 -0.588,1075 14.187,1076 -1.136,1077 8.608,1078 10.896,1080 17.079,1081 8.246,1082 12.923,1083 -0.907,1084 16.009,1085 -1.459,1086 9.869,1087 12.562,1088 4.825,1089 19.557,1090 9.465,1091 3.236,1092 -1,1093 17.846,1094 -2,1095 10.882,1096 13.909,1098 21.833,1099 10.408,1100 2.828,1101 11.098,1102 19.695,1103 -2.263,1104 12.07,1105 15.485,1106 5.851,1107 24.254,1108 11.548,1109 2.501,1110 9.132,1111 21.552,1112 4.615,1113 13.162,1114 16.926,1116 26.596,1117 12.57,1118 2.076,1119 7.978,1120 23.417,1121 3.774,1122 14.325,1123 18.467,1124 6.88,1125 28.999,1126 13.679,1127 1.833,1128 5.648,1129 25.288,1130 3.258,1131 15.453,1132 19.953,1134 31.372,1135 14.739,1136 1.683,1137 5.008,1138 27.164,1139 2.722,1140 16.611,1141 21.482,1142 7.91,1143 33.771,1144 15.837,1145 1.309,1146 4.348,1147 29.044,1148 2.441,1149 17.757,1150 22.988,1152 36.158,1153 16.915,1154 4684,1155 7886,1156 15.72,1157 26.898,1158 37.054,1159 37.781,1160 37.785,1161 36.443,1162 36.426,1163 49.611,1164 3.349,1165 105.949,1166 34.6,1167 5.498,1168 5.715,1169 6.59,1170 5.318,1171 5.236,1172 7.615,1173 3.349,1174 18.436,1175 5.041,1176 11.548,1177 1.544,1178 1.574,1179 1.574,1180 1.518,1181 1.518,1182 2.067,1183 0.14,1184 4.415,1185 1.442,1186 4.097,1187 4.109,1188 4.341,1189 4.085,1190 7.433,1191 4.047,1192 3.857,1193 3.88,1194 3.839,1195 3.821,1196 5.136,1197 3.802,1198 3.646,1199 3.693,1200 3.533,1201 3.456,1202 4.851,1203 3.46,1204 3.392,1205 3.429,1206 3.383,1207 3.309,1208 4.635,1209 3.283,1210 3.044,1211 3.081,1212 3.052,1213 2.837,1214 4.498,1215 2.852,1216 2.874,1217 3.009,1218 2.966,1219 2.735,1220 3.934,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.723,1226 3.814,1227 2.697,1228 2.847,1229 2.901,1230 2.651,1231 2.618,1232 3.674,1233 2.57,1234 0.194,1235 0.155,1236 0.283,1237 0.174,1238 0.135,1239 4.666,1240 0.192,1241 3.715,1242 0.07,1243 6.788,1244 0.462,1245 4.176,1246 0.127,1247 3.236,1248 4.615,1249 1.674,1250 11.098,1251 3.041,1252 1.966,1253 1.943,1254 2.054,1255 2.044,1256 1.149,1257 2.05,1258 1.766,1259 1.739,1260 1.892,1261 1.871,1262 1.055,1263 1.874,1264 1.629,1265 1.6,1266 1.859,1267 1.832,1268 0.96,1269 1.848,1270 1.456,1271 1.436,1272 1.465,1273 1.586,1274 0.629,1275 1.593,1276 1.038,1277 1.017,1278 1.417,1279 1.257,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.181,1285 1.239,1286 0.318,1287 1.228,1288 0.886,1289 0.804,1290 1.107,1291 1.062,1292 0.218,1293 1.107,1294 0.788,1295 0.739,1296 1.059,1297 1.018,1298 0.083,1299 1.047,1300 3.892,1302 5.22,1303 2.398,1304 6.742,1305 4.844,1306 8.351,1307 7.034,1308 10.008,1310 3.625,1313 6.074,1318 5.225,1320 -0.176,1326 25.347,1327 61.934,1328 136.467,1329 153.505,1330 169.157,1331 171.911,1332 171.911,1333 36.077,1334 6.932,1335 65.21,1336 93.45,1337 17,1338 12.395,1339 4.17,1340 3.322,1341 34.468,1342 72,1343 66,1344 0.246,1345 160.953,1346 269.85,1347 384.485,1348 8178,1350 15.69,1351 0.713,1352 0.599,1353 16.043,1354 13.185,1355 10.559,1356 0.44,1357 0.326,1358 7.017,1359 9.84,1360 6.705,1361 5.607,1362 10.967,1363 7.831,1364 9.761,1365 0.287,1366 0.183,1367 10.376,1368 6.213,1369 7.898,1370 0.176,1371 0.095,1372 8.807,1373 4.287,1374 6.871,1375 0.115,1376 0.053,1377 7.814,1378 3.163,1379 5.134,1380 0.07,1381 0.029,1382 6.047,1383 2.118,1384 0.378,1385 69.525,1386 0.252,1387 21.554,1388 0.695,1389 116,1390 339.289,1391 151.792,1392 351.013,1393 483.58,1394 328,1395 137,1396 345.405,1397 172.255,1398 366.276,1399 541.42,1400 345,1401 6.796}
{0 CHEMBL1470914,1 1.607,2 11,3 3.865,4 14.935,5 95.518,6 8.077,7 0.429,8 3.893,9 3.978,10 3.521,11 3.428,12 5.112,13 3.433,14 4.39,15 4.524,16 3.853,17 3.751,18 5.631,19 3.753,20 4.554,21 4.711,22 3.87,23 3.806,24 5.813,25 3.794,26 4.564,27 4.735,28 3.709,29 3.772,30 5.674,31 3.728,32 4.553,33 4.733,34 3.736,35 3.782,36 5.662,37 3.741,38 4.573,39 4.746,40 3.741,41 3.801,42 5.752,43 3.751,44 4.57,45 4.774,46 3.671,47 3.74,48 5.666,49 3.665,50 4.491,51 4.713,52 3.563,53 3.625,54 5.571,55 3.547,56 0.127,57 0.626,58 7.588,59 4.323,60 10.148,61 4.792,62 0.37,63 0.974,64 15.26,65 6.853,66 31.132,67 7.803,68 0.555,69 1.145,70 19.396,71 7.865,72 47.355,73 8.894,74 0.513,75 1.085,76 20.339,77 8.139,78 48.899,79 9.239,80 0.483,81 1.028,82 20.447,83 8.079,84 48.691,85 9.589,86 0.6,87 1.105,88 20.401,89 8.134,90 58.535,91 9.496,92 0.58,93 1.04,94 21.314,95 8.368,96 48.154,97 10.791,98 0.595,99 0.984,100 20.797,101 7.789,102 49.429,103 10.152,104 19,105 38,106 0.278,107 0.626,108 0.79,109 0.86,110 0.86,111 0.86,112 3.304,113 0.877,114 -4.94,115 -4.85,116 -4.54,120 45.5,121 2,126 2,136 1,137 1,143 7,144 2,145 3,157 1,159 1,167 1,174 9,176 1,177 8,185 10,188 2,189 10,197 7,201 9,209 4,214 10,222 8,227 6,235 10,239 3,240 3,247 9,251 3,252 1,260 7,264 3,271 7,274 1082,275 17.524,276 17.524,277 17.524,278 17.524,279 17.524,280 15.451,281 18.335,282 10.44,283 18.014,284 13.764,285 13.764,286 13.764,287 13.764,288 13.764,289 10.588,290 18.632,291 4.89,292 14.438,293 3.852,294 1.838,295 0.89,296 0.489,297 0.489,298 0.489,299 3.985,305 1,306 1,307 1,308 605,309 3,312 82.95,313 186.219,320 1.846,321 31.759,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 286,334 4.407,335 4.207,336 6.433,337 4.019,338 3.035,339 3.984,340 2.654,341 9.835,342 2.982,343 4.233,344 3.245,345 6.175,346 3.831,347 2.881,348 3.737,349 1.151,350 9.185,351 2.732,352 4.007,353 3.212,354 5.413,355 3.585,356 2.609,357 3.611,358 1.123,359 7.159,360 2.546,361 3.56,362 2.951,363 5.231,364 3.186,365 2.219,366 2.87,367 0.86,368 6.577,369 2.136,370 3.408,371 2.681,372 4.889,373 3.024,374 2.08,375 2.694,377 5.691,378 1.939,379 3.229,380 2.623,381 4.732,382 2.719,383 1.732,384 2.33,386 4.726,387 1.688,388 2.946,389 2.255,390 4.424,391 2.576,392 1.671,393 2.082,395 4.389,396 1.504,397 2.691,398 2.193,399 3.971,400 2.168,401 1.204,402 1.592,404 3.162,405 1.154,406 2.5,407 1.378,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.18,416 1.206,417 3.301,418 1.94,419 1,420 1.141,422 1.945,423 0.93,424 1.958,425 1.114,426 3.142,427 1.701,428 0.797,429 0.9,431 1.672,432 0.71,433 1.537,434 1,435 2.96,436 1.243,437 0.243,438 0.295,440 0.572,441 0.239,442 1.299,443 0.56,444 2.45,445 0.961,451 0.957,452 0.252,453 2.298,454 0.609,455 -0.297,456 -0.347,458 -0.574,459 -0.263,460 0.837,461 0.153,462 2,463 0.527,464 -0.459,465 -0.541,467 -1.017,468 -0.446,469 12.019,470 0.462,471 0.609,472 0.023,473 33.75,474 1.298,475 17.5,476 0.673,477 16.25,478 0.625,479 19.331,480 0.743,481 28.181,482 0.64,483 25.616,484 0.985,485 7.107,486 0.273,487 5.456,488 0.21,489 0.135,491 0.333,494 1,496 0.64,497 0.998,498 0.675,499 1.091,500 0.562,501 0.945,502 0.858,503 1.001,504 0.753,505 0.993,506 0.591,507 0.881,508 1.05,509 1.011,510 0.978,511 1.025,512 0.901,513 0.986,514 1.171,515 0.952,516 1.153,517 1.081,518 0.925,519 1.107,520 0.995,521 0.791,522 0.958,523 0.932,524 0.788,525 0.941,526 0.987,527 0.909,528 1.109,529 1.059,530 0.909,531 1.105,532 0.582,533 0.844,534 0.878,535 1.06,536 0.504,537 1.065,538 0.614,539 0.845,540 0.809,541 0.926,542 0.521,543 0.936,544 5.5,545 0.158,546 3.111,547 1.479,548 1.231,549 0.771,550 0.486,551 0.457,552 0.3,553 0.135,554 8149,555 27062,556 2.037,557 40.9,559 12,563 3,564 3,567 1.69,568 1.902,569 3.397,570 -0.76,572 1,574 1,575 70.718,576 1.607,577 3.621,578 4.569,579 4.971,580 4.971,581 4.971,582 2.907,583 4.162,584 4.669,585 3.619,586 1176.27,587 8.09,588 15104.5,590 1,592 1,593 240.215,594 1.42,595 4.628,596 0.196,597 0.011,598 0.082,599 0.04,600 0.04,601 0.023,602 0.015,603 0.016,604 0.012,605 0.006,606 0.441,607 0.17,608 1,609 0.958,610 128.582,611 0.041,612 -0.031,613 0.056,614 -0.057,615 -0.036,616 -0.013,617 0.013,618 -0.078,619 0.11,620 0.006,621 0.07,622 0.067,623 -0.035,624 -0.003,625 -0.048,626 -0.046,627 -0.005,628 -0.046,629 -0.185,630 -0.046,631 -0.207,632 -0.099,633 -0.13,634 -0.144,635 -0.126,636 -0.012,637 -0.018,638 0.046,639 -0.059,640 0.043,641 -0.058,642 0.014,643 -0.177,644 -0.08,645 -0.066,646 -0.142,647 0.171,648 -0.075,649 0.076,650 -0.086,651 0.079,652 -0.048,653 0.191,654 -0.029,655 0.19,656 0.052,657 0.131,658 0.099,659 2.142,660 4.973,661 0.654,662 26.107,663 1.02,664 1.123,665 3.712,666 13.776,667 0.673,668 3.367,669 3.664,670 3.892,671 4.094,672 4.263,673 4.22,674 4.304,675 4.489,676 4.554,677 4.511,678 6.649,679 0.659,680 355.39,681 3.367,682 4.89,683 5.72,684 6.578,685 7.426,686 8.286,687 9.14,688 10.002,689 10.86,690 11.722,691 2.3,700 1,709 7,714 5,716 12,735 2,737 1,738 44,739 15,740 2,741 28,743 46,744 20,745 12,746 5,747 7,748 4,752 3,753 3,759 2,768 16,769 4,772 3,778 1,780 1,781 1,782 3,786 1,787 1,789 18,790 6,792 6,797 1,803 1,804 4,822 1,823 2,835 1,845 1,846 1,855 3,859 2,861 1,862 26,869 2,872 3,885 1,886 9.1,889 1,891 3,893 13.667,894 8.676,895 5.833,896 2.682,898 2.961,899 1.421,900 0.955,901 5.692,902 9.989,903 3.638,904 4.205,905 4.732,906 5.216,907 5.726,908 5.855,909 6.179,910 6.615,911 6.951,912 7.092,913 1,914 37,915 9.585,917 4.011,918 7.994,919 17.813,921 13.972,924 2.494,925 64.833,928 1,929 211.88,930 141.758,931 19.4,933 58.363,934 14.96,936 141.758,937 270.243,938 34.36,939 17.65,940 9.185,941 75.81,942 35.093,943 81.783,944 14.96,945 211.88,947 211.88,948 161.158,949 73.324,952 191.527,953 93.677,956 46.235,957 105.446,958 9.476,960 226.84,961 77.763,962 141.758,965 211.88,966 48.297,967 93.46,969 92.723,970 211.88,971 92.723,972 141.758,973 0.574,974 0.332,975 0.173,976 0.095,977 17,978 8,979 0.13,980 6,982 1,983 3.834,984 207.5,986 17,987 118.211,993 18.151,994 8.153,995 4.511,997 92.723,998 11.492,1003 2.458,1006 446.361,1007 37,1013 11.662,1015 1.695,1016 3.656,1017 0.467,1020 44.876,1021 49.412,1022 0.294,1023 0.663,1024 0.837,1025 0.91,1026 0.91,1027 0.91,1028 4.86,1029 1.204,1030 5.694,1031 4.389,1032 4.344,1033 4.89,1034 3.079,1035 6.46,1036 4.261,1037 6.063,1038 1,1039 7.229,1040 3.162,1041 3.892,1042 4.649,1044 7.273,1045 3.783,1046 7.363,1047 1,1048 8.861,1049 2.275,1050 5.9,1051 7.034,1052 4.683,1053 10.325,1054 5.755,1055 8.698,1056 0.797,1057 10.548,1058 1.945,1059 6.256,1060 7.569,1062 11.964,1063 6.085,1064 10.061,1065 0.243,1066 12.271,1067 1.672,1068 7.726,1069 9.434,1070 6.565,1071 14.517,1072 7.529,1073 11.445,1075 14.02,1076 0.572,1077 8.459,1078 10.335,1080 16.509,1081 8.235,1082 12.844,1083 -0.297,1084 15.787,1086 9.706,1087 11.967,1088 8.506,1089 18.881,1090 9.46,1091 3.035,1092 -0.459,1093 17.57,1094 -0.574,1095 10.623,1096 13.061,1098 21.028,1099 10.349,1100 2.881,1101 9.835,1102 19.364,1103 -1.017,1104 11.774,1105 14.572,1106 10.456,1107 23.333,1108 11.48,1109 2.609,1110 9.185,1111 21.168,1112 3.984,1113 12.779,1114 15.775,1116 25.547,1117 12.459,1118 2.219,1119 7.159,1120 22.979,1121 3.737,1122 13.89,1123 17.219,1124 12.408,1125 27.828,1126 13.551,1127 2.08,1128 6.577,1129 24.797,1130 3.611,1131 14.938,1132 18.486,1134 30.072,1135 14.574,1136 1.732,1137 5.691,1138 26.62,1139 2.87,1140 16.034,1141 19.893,1142 14.36,1143 32.344,1144 15.652,1145 1.671,1146 4.726,1147 28.448,1148 2.694,1149 17.103,1150 21.197,1152 34.602,1153 16.699,1154 7962,1155 14659,1156 18.493,1157 29.614,1158 41.599,1159 44.555,1160 43.031,1161 41.021,1162 40.942,1163 53.47,1164 11.577,1165 114.376,1166 39.121,1167 5.247,1168 6.207,1169 6.196,1170 5.082,1171 5.035,1172 6.984,1173 5.309,1174 16.169,1175 4.982,1176 13.47,1177 1.486,1178 1.591,1179 1.537,1180 1.465,1181 1.462,1182 1.91,1183 0.413,1184 4.085,1185 1.397,1186 3.994,1187 4.009,1188 3.951,1189 3.909,1190 8.201,1191 3.915,1192 3.897,1193 3.921,1194 3.845,1195 3.827,1196 7.433,1197 3.825,1198 3.753,1199 3.768,1200 3.719,1201 3.588,1202 4.952,1203 3.615,1204 3.462,1205 3.533,1206 3.273,1207 3.258,1208 4.87,1209 3.248,1210 3.257,1211 3.297,1212 3.166,1213 3.058,1214 4.646,1215 3.073,1216 3.122,1217 3.183,1218 2.967,1219 2.929,1220 4.404,1221 2.922,1222 2.928,1223 2.946,1224 2.866,1225 2.735,1226 4.278,1227 2.743,1228 2.861,1229 2.925,1230 2.706,1231 2.719,1232 3.858,1233 2.715,1234 0.157,1235 0.15,1236 0.23,1237 0.144,1238 0.108,1239 4.407,1240 0.142,1241 4.207,1242 0.095,1243 6.433,1244 0.351,1245 4.019,1246 0.106,1247 3.035,1248 3.984,1249 2.654,1250 9.835,1251 2.982,1252 1.928,1253 1.912,1254 2.024,1255 2.029,1256 1.146,1257 2.026,1258 1.879,1259 1.856,1260 1.981,1261 1.964,1262 1.102,1263 1.97,1264 1.579,1265 1.55,1266 1.797,1267 1.745,1268 0.934,1269 1.758,1270 1.451,1271 1.377,1272 1.733,1273 1.673,1274 0.83,1275 1.698,1276 1.235,1277 1.195,1278 1.453,1279 1.522,1280 0.584,1281 1.476,1282 1.139,1283 1.104,1284 1.365,1285 1.398,1286 0.471,1287 1.376,1288 0.886,1289 0.821,1290 1.181,1291 1.113,1292 0.218,1293 1.107,1294 0.857,1295 0.809,1296 1.127,1297 1.067,1298 0.182,1299 1.091,1300 4.043,1302 5.342,1303 2.398,1304 6.825,1305 4.727,1306 8.391,1307 6.763,1308 10,1310 3.584,1312 12.973,1315 0.758,1318 16.088,1326 29.005,1327 70.718,1328 159.344,1329 201.054,1330 218.705,1331 218.705,1332 218.705,1333 50.094,1334 7.027,1335 61.56,1336 61.56,1337 17,1338 12.271,1339 4,1340 3.322,1341 44.377,1342 102,1343 110,1344 0.209,1345 178.068,1346 324.15,1347 426.246,1348 10128,1349 2.3,1350 18.518,1351 0.712,1352 0.557,1353 17.648,1354 14.491,1355 12.563,1356 0.449,1357 0.292,1358 8.041,1359 11.912,1360 7.821,1361 6.507,1362 12.169,1363 8.186,1364 11.123,1365 0.293,1366 0.149,1367 10.501,1368 5.668,1369 9.134,1370 0.19,1371 0.078,1372 8.723,1373 3.761,1374 7.174,1375 0.122,1376 0.041,1377 7.032,1378 2.43,1379 5.75,1380 0.082,1381 0.023,1382 5.466,1383 1.59,1384 0.331,1385 80,1386 0.233,1387 25.384,1388 0.566,1389 132,1390 516.698,1391 150.505,1392 458.34,1393 610.85,1394 428,1395 152,1396 442.902,1397 170.03,1398 434.23,1399 629.78,1400 407,1401 5.09}
{0 CHEMBL1471123,1 1.588,2 10.2,3 2.412,4 5.817,5 96.495,6 8.107,7 0.462,8 3.795,9 3.913,10 3.419,11 3.344,12 5.132,13 3.344,14 4.262,15 4.439,16 3.713,17 3.685,18 5.402,19 3.665,20 4.453,21 4.623,22 3.904,23 3.888,24 5.685,25 3.864,26 4.613,27 4.799,28 3.964,29 3.991,30 5.973,31 3.939,32 4.698,33 4.913,34 3.883,35 3.976,36 5.998,37 3.901,38 4.608,39 4.851,40 3.66,41 3.743,42 6.047,43 3.668,44 4.3,45 4.558,46 3.284,47 3.424,48 5.516,49 3.336,50 4.028,51 4.269,52 3.16,53 3.277,54 5.176,55 3.182,56 0.047,57 0.624,58 6.718,59 3.151,60 15.549,61 3.872,62 0.252,63 0.92,64 13.477,65 5.198,66 29.112,67 6.658,68 0.153,69 1.155,70 15.174,71 6.151,72 36.37,73 7.991,74 0.336,75 1.311,76 18.676,77 7.69,78 60.959,79 10.177,80 0.205,81 1.342,82 22.277,83 8.823,84 51.837,85 12.05,86 0.414,87 1.208,88 21.741,89 6.749,90 109.208,91 9.358,92 0.258,93 0.869,94 16.575,95 5.093,96 63.062,97 7.205,98 0.25,99 0.687,100 11.885,101 4.372,102 36.102,103 6.154,104 56,105 35,106 0.276,107 0.668,108 0.797,109 0.823,110 0.831,111 0.831,112 3.267,113 0.857,114 -2.84,115 -2.85,116 -2.76,120 43.9,122 1,125 2,126 1,143 4,144 4,145 1,148 2,159 3,164 1,165 1,166 1,174 7,176 1,177 9,179 1,180 1,182 1,185 9,187 1,189 6,194 1,197 8,199 1,200 4,201 8,203 2,204 2,206 2,209 6,211 2,214 9,219 2,222 2,224 2,226 2,227 12,229 1,230 1,232 2,235 1,237 2,240 2,247 1,251 4,252 1,254 1,255 1,260 2,264 1,274 943,275 17.016,276 17.016,277 17.016,278 17.016,279 17.016,280 15.184,281 19.704,282 10.044,283 17.416,284 12.551,285 12.551,286 12.551,287 12.551,288 12.551,289 9.484,290 23.278,291 4.359,292 13.119,293 3.77,294 1.512,295 0.769,296 0.622,297 0.573,298 0.573,299 3.927,305 1,306 1,307 1,308 514,309 3.536,313 173.375,320 1.632,321 28.041,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54,333 255,334 4.665,335 4.127,336 6.977,337 4.258,338 3.276,339 4.419,340 2.308,341 11.855,342 3.221,343 4.096,344 4.045,345 6.031,346 3.749,347 2.799,348 3.647,349 2.035,350 8.59,351 2.663,352 3.9,353 4.038,354 5.915,355 3.393,356 2.445,357 3.223,358 2.035,359 8.052,360 2.326,361 3.706,362 3.222,363 5.684,364 3.35,365 2.386,366 3.025,367 0.86,368 7.464,369 2.285,370 3.491,371 3.027,372 4.811,373 2.77,374 1.818,375 2.392,376 0.8,377 5.052,378 1.724,379 3.4,380 2.668,381 4.214,382 2.534,383 1.565,384 2.083,386 3.848,387 1.511,388 3.142,389 2.452,390 3.841,391 2.102,392 1.156,393 1.587,395 2.439,396 1.091,397 2.95,398 1.967,399 3.462,400 2.04,401 1.127,402 1.56,404 2.275,405 1.022,406 2.576,407 1.719,408 3.414,409 2,410 1,411 1.5,413 2.214,414 1,415 2.5,416 1.436,417 3.225,418 1.595,419 0.641,420 1.145,422 1.172,423 0.61,424 1.843,425 1.291,426 2.635,427 1.193,428 0.334,429 0.43,431 0.447,432 0.285,433 1.689,434 1,435 2.473,436 1.078,437 0.135,438 0.186,440 0.204,441 0.127,442 1.254,443 0.67,444 2.407,445 0.691,446 -0.231,447 -0.372,449 -0.369,450 -0.211,451 1.168,452 0.398,453 2.268,454 0.642,455 -0.312,456 -0.46,458 -0.629,459 -0.297,460 0.693,461 -0.031,462 2.131,463 0.222,464 -0.727,465 -0.95,467 -1.735,468 -0.678,469 11.733,470 0.469,471 0.52,472 0.021,473 38.25,474 1.53,475 22.5,476 0.9,477 15.75,478 0.63,479 16.452,480 0.658,481 25.467,482 0.621,483 29.189,484 1.168,485 7.536,486 0.301,487 4.53,488 0.181,489 0.222,491 0.332,496 0.897,497 1.242,498 0.74,499 1.047,500 0.543,501 0.898,502 1.041,503 0.804,504 0.764,505 0.708,506 0.452,507 0.703,508 0.91,509 1.123,510 0.843,511 0.998,512 0.673,513 0.918,514 0.618,515 0.926,516 0.92,517 1.071,518 0.667,519 1.055,520 0.787,521 1.22,522 0.912,523 1.206,524 0.78,525 1.113,526 1.173,527 1.004,528 1.166,529 1.034,530 1.334,531 1.082,532 1.192,533 1.034,534 1.118,535 0.979,536 1.376,537 1.02,538 0.427,539 0.695,540 0.946,541 0.969,542 0.997,543 1.033,544 4.5,545 0.087,546 3.333,547 2.313,548 2.018,549 1.035,550 0.504,551 0.405,552 0.292,553 0.141,554 5898,555 20532,556 1.928,557 39,559 12,562 2,563 2,567 1.684,568 1.765,569 3.213,570 0.312,571 1,572 1,574 1,575 65.091,576 1.588,577 3.846,578 4.589,579 4.735,580 4.784,581 4.784,582 2.679,583 4.484,584 4.607,585 3.422,586 1026.7,587 7.993,588 12261,589 1,590 1,592 1,593 219.66,594 1.541,595 4.546,596 0.173,597 0.007,598 0.095,599 0.055,600 0.047,601 0.027,602 0.017,603 0.02,604 0.016,605 0.008,606 0.465,607 0.33,608 1,609 1.66,610 119.629,611 -0.089,612 -0.133,613 0.019,614 -0.055,615 0.032,616 -0.006,617 -0.013,618 0.213,619 0.135,620 0.292,621 0.03,622 0.246,623 -0.102,624 -0.071,625 0.008,626 -0.01,627 -0.039,628 0.018,629 0.218,630 0.092,631 -0.034,632 -0.075,633 0.115,634 -0.095,635 0.018,636 -0.298,637 0.045,638 -0.174,639 0.059,640 -0.085,641 -0.079,642 -0.034,643 -0.141,644 -0.094,645 -0.046,646 -0.12,647 -0.19,648 -0.099,649 -0.071,650 -0.017,651 -0.242,652 -0.02,653 0.35,654 0.264,655 0.042,656 0.025,657 -0.073,658 -0.017,659 1.649,660 3.483,661 0.48,662 22.784,663 1.009,664 1.129,665 1.609,666 2.588,667 0.69,668 3.296,669 3.584,670 3.892,671 4.143,672 4.357,673 4.382,674 4.419,675 4.466,676 4.454,677 4.263,678 5.883,679 0.67,680 332.4,681 3.296,682 4.812,683 5.666,684 6.547,685 7.428,686 8.319,687 9.21,688 10.105,689 11,690 11.899,691 14.6,695 1,697 1,700 3,701 1,709 4,710 1,714 7,716 12,718 2,728 1,732 1,735 1,738 41,739 15,740 1,741 26,743 42,744 18,745 11,746 2,747 4,752 2,753 2,766 1,767 3,768 11,769 4,785 1,786 1,789 16,790 7,791 2,792 7,797 6,803 1,804 1,816 1,823 2,833 1,855 2,859 2,862 25,863 1,869 2,872 1,875 1,877 3,882 3,884 3,886 2.4,891 1,893 14.167,894 8.333,895 6,896 2.26,898 2.805,899 1.415,900 0.936,901 5.803,902 9.559,903 3.664,904 4.159,905 4.796,906 5.403,907 5.978,908 6.309,909 6.616,910 6.94,911 7.207,912 7.257,913 0.857,914 42,915 9.11,917 3.714,918 8.087,919 16.739,921 12.827,924 2.587,925 64.667,928 1,929 164.795,930 134.271,931 145.985,933 11,936 134.271,937 175.795,938 145.985,939 19.279,940 4.64,941 70.802,942 66.591,943 122.801,944 7.143,945 164.795,947 164.795,948 280.257,949 11,952 164.795,953 11,956 97.818,957 165.653,958 16.786,960 164.795,961 156.985,962 134.271,965 164.795,966 27.282,967 60.309,968 49.805,969 153.861,970 164.795,971 156.985,972 134.271,973 0.559,974 0.357,975 0.202,976 0.112,977 14,978 8,979 0.119,980 5,982 1,983 3.474,984 199.598,986 12,987 112.096,993 18.084,994 8.022,995 3.639,997 156.985,998 7.318,999 3.971,1003 2.401,1005 32.897,1006 456.052,1007 38,1020 41.356,1021 46.275,1022 0.296,1023 0.718,1024 0.857,1025 0.884,1026 0.893,1027 0.893,1028 4.913,1029 1.127,1030 5.652,1031 2.439,1032 4.263,1033 4.844,1034 3.423,1035 6.503,1036 4.184,1037 6.145,1038 1,1039 7.242,1040 2.275,1041 3.892,1042 4.62,1043 0.325,1044 7.548,1045 3.783,1046 7.461,1047 0.641,1048 8.938,1049 2.214,1050 5.883,1051 7.049,1052 4.851,1053 10.67,1054 5.748,1055 8.813,1056 0.334,1057 10.697,1058 1.172,1059 6.365,1060 7.703,1061 0.268,1062 12.546,1063 6.205,1064 10.193,1065 0.135,1066 12.494,1067 0.447,1068 7.817,1069 9.569,1070 6.377,1071 15.213,1072 7.639,1073 11.597,1074 -0.231,1075 14.318,1076 0.204,1077 8.677,1078 10.638,1079 0.188,1080 17.432,1081 8.482,1082 13.02,1083 -0.312,1084 16.162,1085 -0.369,1086 9.934,1087 12.277,1088 7.933,1089 19.96,1090 9.725,1091 3.276,1092 -0.727,1093 18.02,1094 -0.629,1095 10.964,1096 13.551,1097 0.125,1098 22.326,1099 10.742,1100 2.799,1101 11.855,1102 19.89,1103 -1.735,1104 12.154,1105 15.094,1106 9.507,1107 24.811,1108 11.919,1109 2.445,1110 8.59,1111 21.769,1112 4.419,1113 13.261,1114 16.471,1115 0.082,1116 27.239,1117 13.015,1118 2.386,1119 8.052,1120 23.657,1121 3.647,1122 14.432,1123 17.975,1124 11.096,1125 29.713,1126 14.175,1127 1.818,1128 7.464,1129 25.552,1130 3.223,1131 15.575,1132 19.404,1133 0.054,1134 32.166,1135 15.306,1136 1.565,1137 5.052,1138 27.454,1139 3.025,1140 16.745,1141 20.892,1142 12.698,1143 34.637,1144 16.464,1145 1.156,1146 3.848,1147 29.361,1148 2.392,1149 17.905,1150 22.348,1151 0.035,1152 37.102,1153 17.613,1154 6180,1155 11629,1156 16.414,1157 28.296,1158 40.839,1159 45.463,1160 41.303,1161 37.326,1162 37.362,1163 50.394,1164 16.075,1165 107.219,1166 35.729,1167 5.474,1168 6.127,1169 6.841,1170 5.297,1171 5.276,1172 7.419,1173 4.616,1174 19.358,1175 5.221,1176 15.627,1177 1.571,1178 1.749,1179 1.589,1180 1.436,1181 1.437,1182 1.938,1183 0.618,1184 4.124,1185 1.374,1186 4.034,1187 4.059,1188 4.008,1189 3.965,1190 6.826,1191 3.972,1192 3.814,1193 3.858,1194 3.766,1195 3.693,1196 6.817,1197 3.707,1198 3.596,1199 3.656,1200 3.493,1201 3.445,1202 6.815,1203 3.447,1204 3.349,1205 3.395,1206 3.313,1207 3.161,1208 5.152,1209 3.193,1210 3.262,1211 3.346,1212 3.155,1213 3.038,1214 4.765,1215 3.051,1216 3.191,1217 3.265,1218 3.077,1219 2.926,1220 4.688,1221 2.945,1222 3.032,1223 3.129,1224 2.92,1225 2.737,1226 4.203,1227 2.773,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.072,1233 2.715,1234 0.179,1235 0.159,1236 0.268,1237 0.164,1238 0.126,1239 4.665,1240 0.17,1241 4.127,1242 0.089,1243 6.977,1244 0.456,1245 4.258,1246 0.124,1247 3.276,1248 4.419,1249 2.308,1250 11.855,1251 3.221,1252 1.986,1253 1.967,1254 2.057,1255 2.073,1256 1.206,1257 2.067,1258 1.765,1259 1.731,1260 1.868,1261 1.926,1262 1.066,1263 1.91,1264 1.572,1265 1.512,1266 1.755,1267 1.745,1268 0.839,1269 1.756,1270 1.259,1271 1.216,1272 1.571,1273 1.542,1274 0.612,1275 1.546,1276 1.222,1277 1.135,1278 1.545,1279 1.478,1280 0.569,1281 1.501,1282 1.131,1283 1.056,1284 1.274,1285 1.374,1286 0.218,1287 1.354,1288 0.913,1289 0.823,1290 1.181,1291 1.234,1292 0.143,1293 1.197,1294 0.886,1295 0.821,1296 1.087,1297 1.062,1298 0.047,1299 1.107,1300 3.97,1302 5.263,1304 6.781,1306 8.409,1308 10.098,1310 3.285,1313 5.84,1315 1.034,1318 5.123,1321 1.949,1324 27.586,1325 6.159,1326 27.477,1327 65.091,1328 157.685,1329 188.15,1330 194.15,1331 196.15,1332 196.15,1333 59.974,1334 6.755,1335 122.75,1336 122.75,1337 12,1338 12.423,1339 4,1340 3.7,1341 51.529,1342 85,1343 115,1344 0.3,1345 178.279,1346 316.55,1347 426.761,1348 6306,1350 18.397,1351 0.736,1352 0.558,1353 18.397,1354 13.945,1355 12.066,1356 0.464,1357 0.286,1358 7.309,1359 11.575,1360 7.057,1361 5.93,1362 12.066,1363 7.431,1364 9.897,1365 0.283,1366 0.149,1367 9.897,1368 5.231,1369 8.645,1370 0.18,1371 0.078,1372 8.645,1373 3.765,1374 7.148,1375 0.115,1376 0.04,1377 7.148,1378 2.464,1379 5.715,1380 0.074,1381 0.02,1382 5.715,1383 1.575,1384 0.462,1385 75.926,1386 0.247,1387 24.009,1388 0.851,1389 122,1390 407.273,1391 132.288,1392 407.459,1393 540.57,1394 376,1395 144,1396 381.898,1397 154.484,1398 395.954,1399 565.24,1400 367,1401 4.808}
{0 CHEMBL1471341,1 1.944,2 9.273,3 2.811,4 7.901,5 83.9,6 9.44,7 0.522,8 3.686,9 3.771,10 3.609,11 3.311,12 4.857,13 3.26,14 4.198,15 4.331,16 3.919,17 3.633,18 5.62,19 3.59,20 4.422,21 4.574,22 3.998,23 3.706,24 5.919,25 3.657,26 4.385,27 4.563,28 3.85,29 3.581,30 5.802,31 3.537,32 4.244,33 4.421,34 3.845,35 3.481,36 5.6,37 3.437,38 4.125,39 4.25,40 3.847,41 3.44,42 5.878,43 3.407,44 4.1,45 4.269,46 3.572,47 3.42,48 5.387,49 3.31,50 4.007,51 4.171,52 3.333,53 3.266,54 5.337,55 3.145,56 0.119,57 0.542,58 6.658,59 3.614,60 19.346,61 3.584,62 0.364,63 0.836,64 14.344,65 5.751,66 61.528,67 6.391,68 0.653,69 0.944,70 21.024,71 7.01,72 82.036,73 7.422,74 0.582,75 0.871,76 18.989,77 6.42,78 75.979,79 6.712,80 0.502,81 0.757,82 20.579,83 5.73,84 74.814,85 5.909,86 0.647,87 0.652,88 13.913,89 4.86,90 105.739,91 5.001,92 0.391,93 0.615,94 17.653,95 5.502,96 51.198,97 5.923,98 0.436,99 0.56,100 19.911,101 5.273,102 58.118,103 5.04,104 39,105 33,106 0.352,107 0.697,108 0.808,109 0.828,110 0.828,111 0.828,112 3.146,113 1.108,114 -3.27,115 -3.26,116 -3.13,120 38.9,121 2,126 1,143 4,144 1,145 2,146 1,147 1,151 1,159 1,174 5,176 2,180 1,182 2,185 6,188 5,189 4,192 1,194 2,197 4,201 5,206 2,213 1,214 4,217 1,219 1,226 2,227 5,230 2,235 2,240 5,245 1,247 3,252 7,260 1,264 5,271 3,274 660,275 14.118,276 14.118,277 14.118,278 14.118,279 14.118,280 12.211,281 15.281,282 7.985,283 14.803,284 11.195,285 11.195,286 11.195,287 11.195,288 11.195,289 8.204,290 16.105,291 3.679,292 12.202,293 3.225,294 1.322,295 0.709,296 0.597,297 0.597,298 0.597,299 3.798,303 1,305 1,306 1,307 1,308 415,309 3.674,313 156.301,320 1.388,321 36.256,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48.833,333 204,334 4.851,335 5.244,336 7.292,337 4.235,338 3.384,339 4.707,340 2.95,341 12.375,342 2.896,343 4.301,344 3.623,345 6.397,346 3.887,347 2.938,348 3.893,349 1.058,350 9.691,351 2.728,352 4.002,353 2.959,354 5.457,355 3.571,356 2.595,357 3.609,359 7.26,360 2.529,361 3.516,362 2.713,363 4.988,364 3.121,365 2.158,366 2.815,368 5.862,369 2.057,370 3.257,371 2.678,372 4.824,373 2.788,374 1.822,375 2.511,377 5.055,378 1.719,379 3.061,380 2.248,381 4.7,382 2.479,383 1.615,384 2.25,386 4.699,387 1.342,388 2.544,389 1.445,390 3.799,391 2,392 1.032,393 1.505,395 2.701,396 1,397 2.5,398 1.117,399 3.414,400 1.983,401 1,402 1.5,404 2.275,405 0.973,406 1.541,407 1,408 3.191,409 1.353,410 0.398,411 0.433,413 0.542,414 0.37,415 1.407,416 0.655,417 2.81,418 1.08,419 0.114,420 0.138,422 0.257,423 0.104,424 1.241,425 0.446,426 2.636,427 0.671,428 -0.137,429 -0.176,431 -0.309,432 -0.097,433 1,434 -0.029,435 2.26,436 0.349,437 -0.658,438 -0.823,440 -1.606,441 -0.644,442 0.719,443 -0.163,444 2,445 0.132,446 -0.83,447 -1.218,449 -2.479,450 -0.808,451 0.639,452 -0.495,453 2,455 -1,456 -1.5,458 -3,459 -0.866,460 0.5,461 -0.664,462 2,464 -1,465 -1.52,467 -3,468 -1,469 10.748,470 0.489,471 0.755,472 0.034,473 31,474 1.409,475 17,476 0.773,477 14,478 0.636,479 15.625,480 0.71,481 24.052,482 0.668,483 22.838,484 1.038,485 5.849,486 0.266,487 4.481,488 0.204,489 0.253,490 0.078,491 0.279,496 0.536,497 1.356,498 0.7,499 1.154,500 0.638,501 0.906,502 0.585,503 1.257,504 0.762,505 1.078,506 0.603,507 0.88,508 0.897,509 1.065,510 0.999,511 1.046,512 0.986,513 0.976,514 1.193,515 1.049,516 0.82,517 0.896,518 1.206,519 0.923,520 1.191,521 0.901,522 0.727,523 0.797,524 1.295,525 0.802,526 0.808,527 0.952,528 0.947,529 0.901,530 0.778,531 0.937,532 1.275,533 0.957,534 1.397,535 0.988,536 1.063,537 1.084,538 1.64,539 0.91,540 1.835,541 1.232,542 1.431,543 1.191,544 6.5,545 0.107,546 3.556,547 1.563,548 1.356,549 1.097,550 0.447,551 0.314,552 0.238,553 0.104,554 4391,555 16238,556 1.908,557 38.9,558 3,559 6,561 1,562 1,564 3,567 1.646,568 1.725,569 3.183,570 -0.175,571 1,572 1,574 1,575 70.002,576 1.944,577 3.847,578 4.461,579 4.572,580 4.572,581 4.572,582 2.681,583 4.005,584 4.431,585 3.312,586 765.049,587 7.619,588 8381.17,589 1,590 1,591 1,592 1,593 186.117,594 1.753,595 4.338,596 0.283,597 0.015,598 0.108,599 0.046,600 0.048,601 0.042,602 0.017,603 0.016,604 0.015,605 0.008,606 0.598,607 0.33,608 1,609 1.119,610 100.884,611 0.035,612 -0.153,613 0.126,614 -0.062,615 -0.125,616 0.01,617 0.199,618 -0.163,619 0.095,620 -0.064,621 0.168,622 0.055,623 0.143,624 -0.015,625 -0.049,626 -0.079,627 0.047,628 -0.068,629 -0.116,630 -0.067,631 0.033,632 -0.01,633 -0.094,634 -0.004,635 -0.1,636 0.091,637 0.179,638 0.118,639 -0.173,640 0.122,641 0.391,642 0.055,643 0.054,644 -0.005,645 0.419,646 -0.065,647 -0.27,648 -0.039,649 -0.192,650 -0.018,651 -0.16,652 -0.096,653 -0.454,654 0.044,655 -0.482,656 -0.127,657 -0.274,658 -0.207,659 4.527,660 5.207,661 0.545,662 16.364,663 1.027,664 1.124,665 2.044,666 4.176,667 0.707,668 3.178,669 3.526,670 3.714,671 3.829,672 4.043,673 4.06,674 3.989,675 3.912,676 3.85,677 3.829,678 5.457,679 0.677,680 339.83,681 3.178,682 4.727,683 5.557,684 6.431,685 7.283,686 8.159,687 9.017,688 9.894,689 10.756,690 11.634,691 8.3,698 1,701 2,709 5,710 2,714 5,716 12,723 1,737 1,738 36,739 15,740 1,741 23,743 37,744 14,745 10,746 2,747 4,748 1,752 2,753 2,754 1,759 2,768 11,769 3,772 3,776 1,778 3,782 1,785 1,786 1,789 14,790 6,791 1,792 8,793 2,797 3,803 1,804 3,817 1,823 2,855 2,857 1,859 2,860 1,862 22,865 1,869 1,871 1,885 1,886 8.3,889 3,893 12.75,894 7.126,895 4.847,896 2.113,898 2.329,899 1.365,900 0.96,901 4.916,902 8.71,903 3.497,904 4.143,905 4.61,906 5.061,907 5.591,908 5.759,909 5.874,910 5.95,911 6.041,912 6.386,913 1,914 34,915 8.353,917 3.804,918 8.229,919 14.873,921 11.92,924 2.729,925 60.028,929 153.024,930 89.146,931 51.582,932 39.149,933 69.458,935 6.046,936 83.1,937 261.631,938 51.582,939 17.65,940 18.91,941 43.951,942 119.505,943 21.247,944 0.693,945 141.253,946 39.149,947 153.024,948 134.682,949 69.458,950 45.195,952 117.711,953 104.771,956 49.058,957 52.053,958 78.766,960 153.024,961 121.04,962 128.295,964 6.046,965 153.024,966 18.497,967 64.603,968 18.011,969 142.178,970 153.024,971 121.04,972 128.295,973 0.596,974 0.343,975 0.153,976 0.085,977 15,978 8,979 0.108,980 4,982 1,983 3.263,984 164.372,986 12,987 92.107,992 1,993 16.563,994 6.53,995 3.902,997 121.04,998 8.244,999 7.457,1003 1.011,1005 18.011,1006 402.359,1007 32,1011 -3.61,1013 35.773,1017 -0.594,1020 36.989,1021 40.478,1022 0.376,1023 0.744,1024 0.863,1025 0.884,1026 0.884,1027 0.884,1028 4.736,1029 1,1030 5.609,1031 2.701,1032 4.205,1033 4.828,1034 3.027,1035 6.463,1036 4.042,1037 6.008,1038 0.398,1039 7.222,1040 2.275,1041 4.111,1042 5.027,1044 7.751,1045 3.792,1046 7.379,1047 0.114,1048 8.948,1049 0.542,1050 5.916,1051 7.181,1052 5.043,1053 10.72,1054 5.556,1055 8.792,1056 -0.137,1057 10.742,1058 0.257,1059 6.581,1060 8.14,1062 12.795,1063 6.026,1064 10.237,1065 -0.658,1066 12.581,1067 -0.309,1068 7.962,1069 9.876,1070 7.187,1071 15.413,1072 7.352,1073 11.706,1074 -0.83,1075 14.452,1076 -1.606,1077 8.934,1078 11.15,1080 17.765,1081 8.122,1082 13.193,1083 -1,1084 16.348,1085 -2.479,1086 10.18,1087 12.75,1088 9.348,1089 20.294,1090 9.28,1091 3.384,1092 -1,1093 18.261,1094 -3,1095 11.282,1096 14.163,1098 22.743,1099 10.188,1100 2.938,1101 12.375,1102 20.189,1103 -3,1104 12.487,1105 15.716,1106 11.511,1107 25.251,1108 11.275,1109 2.595,1110 9.691,1111 22.127,1112 4.707,1113 13.643,1114 17.195,1116 27.737,1117 12.248,1118 2.158,1119 7.26,1120 24.074,1121 3.893,1122 14.84,1123 18.734,1124 13.675,1125 30.243,1126 13.306,1127 1.822,1128 5.862,1129 26.028,1130 3.609,1131 16.022,1132 20.245,1134 32.744,1135 14.312,1136 1.615,1137 5.055,1138 27.987,1139 2.815,1140 17.221,1141 21.782,1142 15.838,1143 35.252,1144 15.358,1145 1.032,1146 4.699,1147 29.951,1148 2.511,1149 18.416,1150 23.309,1152 37.76,1153 16.381,1154 4535,1155 8913,1156 14.216,1157 25.455,1158 34.133,1159 37.504,1160 36.474,1161 34.385,1162 34.112,1163 46.721,1164 8.017,1165 101.434,1166 31.437,1167 5.684,1168 7.244,1169 6.707,1170 5.317,1171 5.384,1172 7.707,1173 5.9,1174 19.57,1175 4.896,1176 14.028,1177 1.484,1178 1.631,1179 1.586,1180 1.495,1181 1.483,1182 2.031,1183 0.349,1184 4.41,1185 1.367,1186 4.067,1187 4.051,1188 4.739,1189 4.041,1190 7.714,1191 3.938,1192 3.922,1193 3.945,1194 3.968,1195 3.858,1196 7.429,1197 3.844,1198 3.696,1199 3.701,1200 3.838,1201 3.597,1202 6.999,1203 3.573,1204 3.32,1205 3.384,1206 3.326,1207 3.111,1208 5.022,1209 3.124,1210 3.148,1211 3.203,1212 3.095,1213 2.969,1214 4.754,1215 2.928,1216 3.043,1217 3.099,1218 2.942,1219 2.82,1220 4.439,1221 2.832,1222 2.854,1223 2.925,1224 2.883,1225 2.735,1226 4.033,1227 2.715,1228 2.556,1229 2.654,1230 2.687,1231 2.309,1232 3.948,1233 2.308,1234 0.211,1235 0.228,1236 0.317,1237 0.184,1238 0.147,1239 4.851,1240 0.205,1241 5.244,1242 0.128,1243 7.292,1244 0.538,1245 4.235,1246 0.126,1247 3.384,1248 4.707,1249 2.95,1250 12.375,1251 2.896,1252 1.924,1253 1.916,1254 2.038,1255 2.037,1256 1.203,1257 2.05,1258 1.876,1259 1.876,1260 1.832,1261 1.976,1262 1.131,1263 2.007,1264 1.603,1265 1.591,1266 1.727,1267 1.754,1268 0.788,1269 1.773,1270 1.266,1271 1.198,1272 1.544,1273 1.512,1274 0.612,1275 1.519,1276 1.096,1277 1.052,1278 1.195,1279 1.321,1280 0.413,1281 1.363,1282 0.962,1283 0.915,1284 1.181,1285 1.233,1286 0.218,1287 1.24,1288 0.886,1289 0.821,1290 1.061,1291 1.062,1292 0.124,1293 1.107,1294 0.521,1295 0.43,1296 0.809,1297 0.799,1299 0.804,1300 3.85,1302 5.187,1304 6.718,1306 8.326,1308 9.973,1310 3.397,1311 5.895,1315 -0.159,1317 2.614,1326 24.384,1327 70.002,1328 138.508,1329 160.608,1330 164.608,1331 164.608,1332 164.608,1333 56.621,1334 6.38,1335 89.02,1336 97.4,1337 12,1338 12.174,1339 4,1340 3.322,1341 42.18,1342 70,1343 78,1344 0.295,1345 161.62,1346 278.85,1347 386.113,1348 4090,1349 2.8,1350 16.328,1351 0.742,1352 0.617,1353 17.078,1354 13.572,1355 10.331,1356 0.449,1357 0.369,1358 6.552,1359 8.854,1360 6.157,1361 5.144,1362 11.44,1363 8.496,1364 9.832,1365 0.298,1366 0.217,1367 11.578,1368 7.152,1369 7.846,1370 0.196,1371 0.117,1372 9.344,1373 4.694,1374 5.414,1375 0.12,1376 0.055,1377 6.338,1378 2.495,1379 4.3,1380 0.077,1381 0.031,1382 5.132,1383 1.724,1384 0.455,1385 76.218,1386 0.265,1387 21.576,1388 0.83,1389 112,1390 411.893,1391 177.03,1392 445.84,1393 578.37,1394 406,1395 129,1396 365.102,1397 194.652,1398 411.58,1399 596.79,1400 383,1401 5.286}
{0 CHEMBL1471418,1 1.885,2 12.714,3 6.058,4 36.702,5 133.655,6 8.966,7 0.486,8 4.158,9 4.248,10 3.983,11 3.749,12 5.364,13 3.716,14 4.683,15 4.819,16 4.323,17 4.13,18 6.119,19 4.085,20 4.942,21 5.093,22 4.465,23 4.304,24 6.239,25 4.233,26 5.097,27 5.271,28 4.525,29 4.305,30 6.444,31 4.24,32 5.074,33 5.245,34 4.513,35 4.279,36 6.51,37 4.22,38 5.139,39 5.335,40 4.458,41 4.243,42 6.699,43 4.21,44 4.983,45 5.144,46 4.265,47 4.24,48 6.29,49 4.179,50 5.092,51 5.3,52 4.267,53 4.243,54 6.329,55 4.157,56 0.241,57 0.897,58 10.942,59 5.622,60 26.39,61 6.081,62 0.625,63 1.403,64 19.351,65 9.41,66 94.251,67 10.712,68 0.726,69 1.781,70 32.765,71 13.098,72 90.158,73 13.775,74 1.169,75 1.864,76 43.905,77 14.374,78 181.145,79 15.142,80 1.159,81 1.802,82 45.05,83 14.656,84 183.624,85 15.648,86 1.679,87 1.82,88 44.804,89 13.939,90 291.931,91 15.774,92 0.922,93 1.734,94 33.005,95 12.579,96 142.638,97 13.243,98 1.125,99 1.722,100 40.596,101 14.141,102 180.511,103 16.58,104 83,105 53,106 0.304,107 0.604,108 0.756,109 0.843,110 0.867,111 0.867,112 3.589,113 1.002,114 -5.59,115 -5.47,116 -5.1,120 41.4,121 2,122 1,126 2,143 10,144 3,145 5,159 1,167 2,174 12,176 4,177 3,180 1,182 1,185 15,188 1,189 13,192 1,194 1,197 13,201 14,206 2,209 2,213 5,214 13,217 2,219 4,222 4,226 6,227 13,232 5,235 8,240 12,245 2,247 7,251 1,252 12,255 1,257 1,260 12,263 2,264 12,267 2,269 1,271 15,274 2721,275 22.479,276 22.479,277 22.479,278 22.479,279 22.479,280 19.423,281 25.111,282 12.985,283 22.934,284 18.181,285 18.181,286 18.181,287 18.181,288 18.181,289 13.571,290 24.99,291 6.133,292 18.996,293 3.973,294 2.107,295 1.164,296 0.625,297 0.474,298 0.474,299 4.261,303 1,308 925,309 4.796,313 422.831,320 1.755,321 68.864,324 0.5,325 0.83,326 0.67,327 0.7,328 0.5,329 0.83,330 1,331 0.72,332 78.333,333 445,334 4.967,335 4.733,336 7.736,337 4.493,338 3.565,339 4.791,340 2.612,341 13.989,342 3.29,343 4.368,344 3.814,345 6.411,346 3.9,347 2.95,348 4.066,349 1.956,350 9.663,351 2.801,352 4.211,353 3.601,354 6.277,355 3.752,356 2.788,357 3.865,358 0.465,359 9.151,360 2.664,361 4.012,362 3.096,363 5.445,364 3.604,365 2.622,366 3.614,367 0.132,368 7.159,369 2.576,370 3.684,371 2.946,372 5.411,373 3.369,374 2.378,375 3,377 6.676,378 2.341,379 3.542,380 2.912,381 4.994,382 3.124,383 2.147,384 2.864,386 5.88,387 2.098,388 3.457,389 2.578,390 4.908,391 3.039,392 2.078,393 2.747,395 5.677,396 1.966,397 3.413,398 2.477,399 4.881,400 2.868,401 1.915,402 2.691,404 5.159,405 1.824,406 3.093,407 2.056,408 4.697,409 2.633,410 1.697,411 2.297,413 4.717,414 1.535,415 2.857,416 1.621,417 4.321,418 2.394,419 1.416,420 1.98,422 3.849,423 1.35,424 2.607,425 1.526,426 3.834,427 2.129,428 1.165,429 1.595,431 2.759,432 1.116,433 2.5,434 1.383,435 3.606,436 2,437 1,438 1.5,440 2.421,441 1,442 2.33,443 1.228,444 3.414,445 2,446 1,447 1.297,449 2.275,450 1,451 2.157,452 1,453 3.372,454 1.807,455 0.831,456 1.028,458 2.076,459 0.802,460 1.329,461 1,462 2.943,463 1.065,464 0.116,465 0.132,467 0.266,468 0.109,469 16.7,470 0.477,471 1.188,472 0.034,473 47.5,474 1.357,475 26,476 0.743,477 21.5,478 0.614,479 30.927,480 0.884,481 38.5,482 0.664,483 44.092,484 1.26,485 9.447,486 0.27,487 7.037,488 0.201,489 0.22,490 0.05,491 0.317,494 1,496 0.423,497 1.128,498 0.671,499 1.111,500 0.556,501 0.92,502 0.515,503 1.015,504 0.666,505 0.884,506 0.483,507 0.883,508 0.886,509 1.157,510 1.114,511 1.224,512 0.828,513 1.1,514 1.092,515 1.008,516 1.081,517 1.129,518 1.112,519 1.028,520 0.806,521 0.982,522 0.921,523 1.19,524 0.914,525 1.022,526 0.964,527 0.767,528 0.768,529 0.764,530 1.016,531 0.785,532 1.113,533 1.02,534 1.112,535 1.144,536 1.121,537 1.167,538 1.019,539 0.835,540 0.906,541 0.851,542 1.063,543 0.989,544 9.5,545 0.272,546 5.333,547 3.25,548 2.649,549 1.917,550 0.933,551 0.722,552 0.747,553 0.402,554 16347,555 61079,556 1.939,557 39.7,558 6,559 14,562 1,564 2,567 1.773,568 1.757,569 3.558,570 -0.288,575 109.317,576 1.885,577 3.751,578 4.694,579 5.233,580 5.384,581 5.384,582 3.007,583 4.786,584 5.095,585 3.78,586 2249.34,587 8.983,588 35015.4,593 339.763,594 1.704,595 5.016,596 0.257,597 0.007,598 0.101,599 0.057,600 0.048,601 0.034,602 0.016,603 0.014,604 0.016,605 0.009,606 0.559,607 0.17,608 0.75,609 0.797,610 188.379,611 0.132,612 -0.036,613 0.125,614 -0.033,615 -0.055,616 0.012,617 0.191,619 0.124,620 0.091,621 0.189,622 0.06,623 -0.066,624 -0.097,625 -0.089,626 -0.127,627 -0.043,628 -0.126,629 -0.106,630 -0.079,631 -0.006,632 -0.074,633 -0.097,634 -0.05,635 0.103,636 -0.097,637 0.063,638 -0.114,639 0.062,640 -0.043,641 0.115,642 0.101,643 0.131,644 0.147,645 0.13,646 0.176,647 -0.197,648 -0.049,649 -0.259,650 -0.165,651 -0.17,652 -0.226,653 -0.115,654 -0.024,655 -0.004,656 0.048,657 -0.135,658 0.011,659 5.288,660 6.563,661 0.514,662 40.663,663 1.027,664 1.126,665 4.364,666 19.048,667 0.692,668 3.638,669 3.989,670 4.205,671 4.407,672 4.635,673 4.654,674 4.635,675 4.682,676 4.718,677 4.654,678 7.493,679 0.669,680 520.02,681 3.638,682 5.198,683 6.038,684 6.923,685 7.788,686 8.677,687 9.554,688 10.448,689 11.332,690 12.229,691 5.2,697 1,698 1,702 1,709 10,714 8,716 18,731 1,737 2,738 58,739 23,740 3,741 37,743 60,744 24,745 18,746 8,747 10,752 3,753 3,754 1,759 2,766 1,768 19,769 5,772 5,775 1,776 1,778 5,782 1,787 1,789 23,790 8,791 1,792 11,793 2,797 3,803 1,804 5,823 3,838 1,855 3,857 1,859 2,860 1,861 1,862 35,866 1,869 3,871 1,875 1,885 2,886 8.6,889 3,892 2,893 19.917,894 11.019,895 7.611,896 3.267,898 2.312,899 1.317,900 0.965,901 8.493,902 9.596,903 3.951,904 4.59,905 5.055,906 5.548,907 6.075,908 6.226,909 6.351,910 6.532,911 6.66,912 6.826,913 1,914 57,915 13.515,917 6.339,918 8.301,919 23.734,921 19.299,924 2.801,925 98.028,929 258.964,930 158.913,931 25.199,932 39.149,933 120.205,934 14.96,935 5.807,936 153.106,937 418.318,938 40.159,939 23.32,940 24.757,941 100.57,942 74.163,943 30.761,944 14.96,945 258.964,946 89.896,947 258.964,948 178.305,949 135.165,950 44.956,952 250.382,953 93,954 50.747,956 42.407,957 130.228,958 50.626,960 273.924,961 145.404,962 198.062,964 5.807,965 258.964,966 40.693,967 119.601,968 18.011,969 174.314,970 258.964,971 160.364,972 198.062,973 0.595,974 0.338,975 0.169,976 0.098,977 23,978 13,979 0.15,980 9,982 1,983 4.303,984 324.95,986 18,987 169.525,992 1,993 26.615,994 11.169,995 6.575,997 154.694,998 14.064,1003 1.08,1005 18.011,1006 617.391,1007 51,1010 -0.773,1011 -4.372,1013 62.461,1017 -0.57,1020 59.574,1021 65.313,1022 0.322,1023 0.64,1024 0.801,1025 0.893,1026 0.919,1027 0.919,1028 5.201,1029 1.915,1030 6.075,1031 5.677,1032 4.673,1033 5.278,1034 2.95,1035 6.934,1036 4.585,1037 6.458,1038 1.697,1039 7.683,1040 5.159,1041 4.511,1042 5.407,1043 2.675,1044 8.165,1045 4.33,1046 7.814,1047 1.416,1048 9.406,1049 4.717,1050 6.354,1051 7.579,1052 4.424,1053 11.248,1054 6.16,1055 9.209,1056 1.165,1057 11.204,1058 3.849,1059 6.976,1060 8.481,1061 4.72,1062 13.371,1063 6.666,1064 10.639,1065 1,1066 13.054,1067 2.759,1068 8.386,1069 10.224,1070 6.107,1071 16.107,1072 8.05,1073 12.094,1074 1,1075 14.944,1076 2.421,1077 9.356,1078 11.465,1079 6.682,1080 18.564,1081 8.9,1082 13.572,1083 0.831,1084 16.866,1085 2.275,1086 10.63,1087 13.067,1088 7.887,1089 21.219,1090 10.124,1091 3.565,1092 0.116,1093 18.813,1094 2.076,1095 11.756,1096 14.465,1097 8.62,1098 23.792,1099 11.138,1100 2.95,1101 13.989,1102 20.781,1103 0.266,1104 12.997,1105 16.02,1106 9.723,1107 26.43,1108 12.309,1109 2.788,1110 9.663,1111 22.764,1112 4.791,1113 14.194,1114 17.495,1115 10.55,1116 29.044,1117 13.402,1118 2.622,1119 9.151,1120 24.76,1121 4.066,1122 15.434,1123 19.039,1124 11.593,1125 31.68,1126 14.562,1127 2.378,1128 7.159,1129 26.765,1130 3.865,1131 16.664,1132 20.552,1133 12.475,1134 34.308,1135 15.696,1136 2.147,1137 6.676,1138 28.779,1139 3.614,1140 17.911,1141 22.096,1142 13.485,1143 36.945,1144 16.858,1145 2.078,1146 5.88,1147 30.799,1148 3,1149 19.158,1150 23.63,1151 14.399,1152 39.579,1153 18.013,1154 16190,1155 31593,1156 23.175,1157 40.108,1158 55.798,1159 59.015,1160 58.555,1161 55.572,1162 55.336,1163 74.934,1164 10.329,1165 163.433,1166 52.945,1167 5.915,1168 6.733,1169 7.289,1170 5.562,1171 5.565,1172 7.791,1173 4.612,1174 22.395,1175 5.29,1176 23.617,1177 1.508,1178 1.595,1179 1.583,1180 1.502,1181 1.496,1182 2.025,1183 0.279,1184 4.417,1185 1.431,1186 4.133,1187 4.123,1188 4.745,1189 4.099,1190 8.201,1191 4.029,1192 3.939,1193 3.967,1194 4.015,1195 3.868,1196 7.815,1197 3.861,1198 3.921,1199 3.949,1200 3.881,1201 3.852,1202 7.715,1203 3.849,1204 3.753,1205 3.75,1206 3.845,1207 3.608,1208 7.428,1209 3.563,1210 3.596,1211 3.629,1212 3.535,1213 3.375,1214 6.999,1215 3.382,1216 3.398,1217 3.433,1218 3.512,1219 3.143,1220 6.999,1221 3.145,1222 3.272,1223 3.329,1224 3.197,1225 3.086,1226 4.888,1227 3.074,1228 3.245,1229 3.285,1230 3.116,1231 2.989,1232 4.729,1233 3.055,1234 0.134,1235 0.128,1236 0.209,1237 0.121,1238 0.096,1239 4.967,1240 0.129,1241 4.733,1242 0.071,1243 7.736,1244 0.378,1245 4.493,1246 0.089,1247 3.565,1248 4.791,1249 2.612,1250 13.989,1251 3.29,1252 2.001,1253 2.006,1254 2.058,1255 2.105,1256 1.258,1257 2.113,1258 1.913,1259 1.888,1260 2.036,1261 2.025,1262 1.223,1263 2.021,1264 1.908,1265 1.884,1266 1.948,1267 2.007,1268 1.138,1269 2.01,1270 1.592,1271 1.576,1272 1.75,1273 1.824,1274 0.908,1275 1.81,1276 1.452,1277 1.429,1278 1.64,1279 1.717,1280 0.826,1281 1.691,1282 1.286,1283 1.226,1284 1.563,1285 1.558,1286 0.705,1287 1.552,1288 1.233,1289 1.185,1290 1.409,1291 1.485,1292 0.487,1293 1.511,1294 1.116,1295 1.095,1296 1.275,1297 1.364,1298 0.422,1299 1.374,1300 4.317,1302 5.659,1304 7.188,1306 8.804,1308 10.47,1310 3.557,1311 5.846,1312 13.065,1315 0.079,1317 2.671,1321 0.919,1326 38.831,1327 109.317,1328 217.55,1329 272.279,1330 303.498,1331 312.253,1332 312.253,1333 135.061,1334 7.283,1335 112.3,1336 120.68,1337 18,1338 12.756,1339 4.585,1340 3.907,1341 70.146,1342 145,1343 206,1344 0.218,1345 247.631,1346 441.68,1347 595.98,1348 12913,1349 3.4,1350 25.75,1351 0.736,1352 0.588,1353 25.63,1354 20.567,1355 16.484,1356 0.446,1357 0.334,1358 10.54,1359 14.723,1360 10.087,1361 8.379,1362 17.168,1363 12.357,1364 15.78,1365 0.298,1366 0.192,1367 16.829,1368 10.168,1369 12.238,1370 0.185,1371 0.111,1372 13.487,1373 7.335,1374 9.506,1375 0.117,1376 0.064,1377 10.958,1378 5.181,1379 7.614,1380 0.075,1381 0.036,1382 8.909,1383 3.682,1384 0.34,1385 115.278,1386 0.208,1387 32.088,1388 0.605,1389 180,1390 695.476,1391 256.405,1392 690.106,1393 888.7,1394 628,1395 209,1396 579.625,1397 290.018,1398 622.576,1399 899.57,1400 580,1401 4.766}
{0 CHEMBL1471740,1 1.565,2 14,3 3.225,4 10.401,5 120.62,6 7.795,7 0.364,8 4.097,9 4.198,10 3.673,11 3.611,12 5.33,13 3.609,14 4.575,15 4.717,16 3.971,17 3.906,18 5.906,19 3.885,20 4.782,21 4.969,22 3.997,23 4.007,24 5.982,25 3.979,26 4.754,27 4.911,28 4.051,29 4.043,30 6.048,31 4.022,32 4.862,33 5.024,34 4.155,35 4.112,36 6.362,37 4.077,38 4.877,39 5.074,40 4.022,41 4.11,42 6.075,43 4.05,44 4.864,45 5.065,46 4.006,47 4.027,48 6.157,49 3.98,50 4.798,51 4.984,52 3.916,53 3.907,54 6.122,55 3.887,56 0.101,57 0.738,58 10.179,59 5.115,60 12.461,61 6.069,62 0.524,63 1.096,64 19.237,65 7.956,66 44.061,67 9.906,68 0.587,69 1.302,70 26.354,71 9.261,72 75.309,73 11.636,74 0.469,75 1.317,76 23.631,77 8.994,78 69.791,79 11.001,80 0.989,81 1.425,82 27.333,83 10.203,84 138.308,85 12.932,86 0.496,87 1.454,88 28.308,89 10.757,90 70.941,91 13.97,92 0.602,93 1.385,94 28.803,95 10.291,96 80.95,97 13.347,98 0.681,99 1.233,100 27.663,101 9.115,102 102.835,103 10.994,104 65,105 42,106 0.256,107 0.558,108 0.677,109 0.736,110 0.747,111 0.747,112 3.502,113 0.904,114 -3.87,115 -3.83,116 -3.63,120 42.9,121 2,126 2,136 4,143 8,144 2,145 2,159 4,174 11,176 2,177 8,180 2,182 6,185 10,189 6,194 8,197 9,201 6,206 4,209 12,213 4,214 6,217 4,218 1,219 4,222 18,227 4,232 2,235 14,240 14,243 2,245 4,247 9,252 14,257 2,260 6,263 1,264 10,271 7,274 2120,275 21.482,276 21.482,277 21.482,278 21.482,279 21.482,280 19.212,281 23.725,282 13.381,283 21.923,284 16.239,285 16.239,286 16.239,287 16.239,288 16.239,289 12.563,290 27.906,291 6.233,292 16.69,293 4.243,294 2.397,295 1.67,296 1.313,297 1.241,298 1.241,299 4.17,306 1,307 1,308 896,309 4.899,313 227.786,320 2.25,321 44.483,324 1,325 0.83,326 0.83,327 0.6,329 0.83,330 0.5,331 0.66,332 71,333 448,334 4.471,335 3.582,336 6.692,337 4.111,338 3.123,339 4.145,340 1.674,341 10.852,342 3.085,343 3.989,344 3.58,345 5.824,346 3.616,347 2.635,348 3.487,349 1.674,350 8.064,351 2.579,352 3.842,353 3.479,354 5.188,355 3.444,356 2.447,357 3.139,358 1.058,359 6.464,360 2.427,361 3.777,362 3.456,363 5.1,364 3.36,365 2.378,366 3.106,367 1.058,368 6.223,369 2.32,370 3.534,371 3.085,372 4.967,373 3.182,374 2.191,375 2.705,377 5.859,378 2.143,379 3.479,380 2.53,381 4.843,382 3.078,383 2.068,384 2.671,386 5.485,387 2.066,388 2.987,389 1.814,390 4.453,391 2.554,392 1.559,393 2.194,395 4.241,396 1.55,397 2.87,398 1.814,399 3.862,400 2.409,401 1.418,402 2.014,404 3.194,405 1.402,406 2.864,407 1.707,408 3.629,409 2.409,410 1.418,411 1.994,413 3.033,414 1.402,415 2.5,416 1.519,417 3.541,418 2.021,419 1.093,420 1.5,422 2.449,423 1,424 2.392,425 1.475,426 3.232,427 2.021,428 1.092,429 1.217,431 1.945,432 1,433 2.391,434 1.093,435 3.232,436 2,437 1,438 1.215,440 1.942,441 1,442 2.045,443 1.093,444 2.828,445 1.493,446 0.485,447 0.703,449 0.969,450 0.482,451 2.044,452 1,453 2.781,454 1.477,455 0.462,456 0.686,458 0.911,459 0.462,460 1.434,461 0.556,462 2.484,463 1.058,464 0.054,465 0.071,467 0.123,468 0.054,469 14.8,470 0.463,471 0.647,472 0.02,473 41.5,474 1.297,475 22,476 0.688,477 19.5,478 0.609,479 24.007,480 0.75,481 35,482 0.625,483 37.451,484 1.17,485 8.873,486 0.277,487 6.566,488 0.205,489 0.158,491 0.27,496 0.716,497 1.253,498 0.754,499 1.132,500 0.579,501 0.977,502 0.703,503 1.179,504 0.84,505 1.09,506 0.528,507 1.02,508 1.158,509 0.957,510 0.945,511 0.821,512 0.969,513 0.825,514 1.116,515 1.167,516 1.034,517 1.043,518 1.198,519 1.014,520 0.71,521 0.966,522 0.942,523 0.973,524 0.969,525 1.007,526 0.87,527 1.091,528 0.969,529 1.052,530 0.942,531 1.031,532 0.95,533 1.034,534 0.943,535 1.025,536 1.093,537 0.985,538 1.47,539 0.907,540 1.118,541 0.918,542 1.563,543 0.92,544 6,545 0.165,546 3.111,547 1.875,548 1.564,549 0.708,550 0.849,551 0.406,552 0.362,553 0.314,554 13053,555 44349,556 1.944,557 42.9,559 16,562 2,564 6,567 1.748,568 1.811,569 3.732,570 0.208,572 1,575 87.624,576 1.565,577 3.41,578 4.138,579 4.495,580 4.566,581 4.566,582 3.203,583 3.875,584 4.961,585 3.891,586 1929.71,587 8.701,588 29271.3,590 1,593 325.212,594 1.42,595 4.923,596 0.182,597 0.005,598 0.074,599 0.043,600 0.034,601 0.014,602 0.019,603 0.01,604 0.01,605 0.009,606 0.399,607 0.33,608 0.88,609 2.359,610 170.294,611 -0.05,612 -0.088,613 0.02,614 -0.059,615 -0.066,616 -0.009,617 0.186,618 -0.111,619 0.047,620 -0.068,621 0.135,622 -0.056,623 -0.18,624 0.07,625 0.018,626 0.157,627 -0.099,628 0.14,629 -0.184,630 -0.083,631 -0.126,632 -0.052,633 -0.156,634 -0.069,635 0.276,636 0.093,637 -0.007,638 0.012,639 0.173,640 -0.059,641 -0.084,642 -0.065,643 -0.038,644 -0.053,645 -0.087,646 -0.035,647 -0.03,648 -0.028,649 0.028,650 -0.048,651 -0.04,652 -0.004,653 -0.254,654 0.076,655 -0.1,656 0.035,657 -0.225,658 0.018,659 2.278,660 5.241,661 0.375,662 40.813,663 1.016,664 1.122,665 2.638,666 6.96,667 0.663,668 3.526,669 3.761,670 3.932,671 4.143,672 4.331,673 4.317,674 4.431,675 4.466,676 4.489,677 4.511,678 7.855,679 0.645,680 436.5,681 3.526,682 5.017,683 5.814,684 6.653,685 7.478,686 8.328,687 9.169,688 10.026,689 10.877,690 11.739,691 3.6,698 2,709 8,714 4,716 12,738 56,739 18,740 2,741 33,743 57,744 24,745 12,746 4,747 8,748 8,752 2,753 2,759 2,768 20,769 4,772 6,778 4,780 4,782 4,786 1,789 24,790 8,791 2,792 8,797 2,803 1,804 6,823 2,838 2,841 2,845 4,855 2,859 2,862 32,869 2,871 2,872 2,886 10.7,889 4,891 2,893 17.667,894 10.5,895 7.5,896 3.41,898 3.551,899 1.492,900 0.926,901 10.051,902 10.769,903 3.829,904 4.304,905 4.783,906 5.261,907 5.792,908 5.922,909 6.333,910 6.667,911 6.913,912 7.189,913 0.9,914 44,915 11.822,917 4.816,918 8.135,919 21.575,921 16.168,924 2.635,925 84.333,928 1,929 258.964,930 176.227,931 36.022,933 122.579,936 176.227,937 381.544,938 36.022,939 17.65,940 45.206,941 113.715,942 124.372,943 33.884,945 258.964,947 258.964,948 212.248,949 122.579,952 188.338,953 193.206,956 62.857,957 111.487,958 37.905,960 258.964,961 158.601,962 176.227,965 258.964,966 44.861,967 131.365,968 36.022,969 122.579,970 258.964,971 158.601,972 176.227,973 0.552,974 0.307,975 0.167,976 0.091,977 14,978 8,979 0.193,980 11,982 1,983 4.246,984 263.21,986 12,987 128,993 24.734,994 13.003,995 8.263,997 158.601,998 14.038,1003 2.26,1005 36.022,1006 593.792,1007 45,1013 47.29,1015 4.266,1017 -2.242,1020 56.887,1021 62.82,1022 0.269,1023 0.587,1024 0.712,1025 0.774,1026 0.786,1027 0.786,1028 5.017,1029 1.418,1030 5.759,1031 4.241,1032 4.443,1033 4.99,1034 2.815,1035 6.488,1036 4.404,1037 6.191,1038 1.418,1039 7.265,1040 3.194,1041 3.892,1042 4.635,1044 7.273,1045 3.877,1046 7.462,1047 1.093,1048 8.875,1049 3.033,1050 5.943,1051 7.056,1052 3.623,1053 10.367,1054 5.871,1055 8.768,1056 1.092,1057 10.55,1058 2.449,1059 6.217,1060 7.514,1062 12.065,1063 6.161,1064 10.105,1065 1,1066 12.27,1067 1.945,1068 7.722,1069 9.405,1070 4.551,1071 14.687,1072 7.626,1073 11.465,1074 0.485,1075 14.023,1076 1.942,1077 8.408,1078 10.278,1080 16.783,1081 8.316,1082 12.844,1083 0.462,1084 15.803,1085 0.969,1086 9.678,1087 11.93,1088 5.539,1089 19.249,1090 9.561,1091 3.123,1092 0.054,1093 17.603,1094 0.911,1095 10.58,1096 13.038,1098 21.513,1099 10.459,1100 2.635,1101 10.852,1102 19.422,1103 0.123,1104 11.751,1105 14.571,1106 6.552,1107 23.926,1108 11.613,1109 2.447,1110 8.064,1111 21.254,1112 4.145,1113 12.765,1114 15.814,1116 26.259,1117 12.619,1118 2.378,1119 6.464,1120 23.098,1121 3.487,1122 13.9,1123 17.287,1124 7.576,1125 28.652,1126 13.741,1127 2.191,1128 6.223,1129 24.953,1130 3.139,1131 14.971,1132 18.607,1134 31.014,1135 14.802,1136 2.068,1137 5.859,1138 26.815,1139 3.106,1140 16.096,1141 20.051,1142 8.604,1143 33.401,1144 15.916,1145 1.559,1146 5.485,1147 28.683,1148 2.705,1149 17.196,1150 21.415,1152 35.775,1153 17.006,1154 13451,1155 24916,1156 21.266,1157 37.114,1158 48.329,1159 50.315,1160 49.071,1161 46.83,1162 46.848,1163 61.693,1164 10.931,1165 123.508,1166 45.945,1167 5.307,1168 5.582,1169 6.466,1170 5.14,1171 5.123,1172 7.145,1173 3.349,1174 18.047,1175 5.085,1176 19.101,1177 1.465,1178 1.525,1179 1.487,1180 1.419,1181 1.42,1182 1.869,1183 0.331,1184 3.743,1185 1.392,1186 4.028,1187 4.054,1188 3.982,1189 3.967,1190 7.442,1191 3.967,1192 3.795,1193 3.827,1194 3.736,1195 3.696,1196 7.434,1197 3.697,1198 3.719,1199 3.732,1200 3.659,1201 3.549,1202 7.425,1203 3.57,1204 3.678,1205 3.696,1206 3.609,1207 3.525,1208 7.425,1209 3.543,1210 3.475,1211 3.534,1212 3.345,1213 3.261,1214 4.839,1215 3.26,1216 3.469,1217 3.527,1218 3.338,1219 3.255,1220 4.622,1221 3.254,1222 3.186,1223 3.223,1224 3.062,1225 2.94,1226 4.496,1227 2.967,1228 3.185,1229 3.222,1230 3.06,1231 2.922,1232 4.483,1233 2.959,1234 0.135,1235 0.109,1236 0.203,1237 0.125,1238 0.095,1239 4.471,1240 0.126,1241 3.582,1242 0.051,1243 6.692,1244 0.329,1245 4.111,1246 0.093,1247 3.123,1248 4.145,1249 1.674,1250 10.852,1251 3.085,1252 1.994,1253 1.972,1254 2.08,1255 2.073,1256 1.207,1257 2.076,1258 1.772,1259 1.741,1260 1.899,1261 1.903,1262 0.956,1263 1.897,1264 1.625,1265 1.607,1266 1.82,1267 1.833,1268 0.941,1269 1.818,1270 1.618,1271 1.597,1272 1.818,1273 1.809,1274 0.94,1275 1.807,1276 1.448,1277 1.379,1278 1.704,1279 1.676,1280 0.699,1281 1.691,1282 1.447,1283 1.379,1284 1.701,1285 1.669,1286 0.698,1287 1.685,1288 1.07,1289 1.031,1290 1.243,1291 1.366,1292 0.298,1293 1.325,1294 1.059,1295 1.022,1296 1.236,1297 1.365,1298 0.241,1299 1.323,1300 4.205,1302 5.46,1304 6.899,1306 8.431,1308 10.019,1310 3.343,1315 0.427,1317 5.44,1318 9.512,1326 36.126,1327 87.624,1328 190.973,1329 231.702,1330 251.702,1331 255.702,1332 255.702,1333 98.572,1334 7.218,1335 110.8,1336 110.8,1337 12,1338 12.291,1339 4.248,1340 3.7,1341 76.698,1342 144,1343 176,1344 0.251,1345 228.637,1346 420.3,1347 549.635,1348 14177,1350 23.347,1351 0.73,1352 0.556,1353 23.347,1354 17.792,1355 15.439,1356 0.468,1357 0.301,1358 9.786,1359 14.728,1360 9.555,1361 7.994,1362 15.439,1363 9.942,1364 13.041,1365 0.31,1366 0.149,1367 13.041,1368 6.24,1369 9.763,1370 0.195,1371 0.079,1372 9.763,1373 3.975,1374 7.867,1375 0.127,1376 0.043,1377 7.867,1378 2.671,1379 6.171,1380 0.082,1381 0.023,1382 6.171,1383 1.696,1384 0.399,1385 97.577,1386 0.217,1387 30.302,1388 0.676,1389 150,1390 569.079,1391 170.271,1392 532.278,1393 696.58,1394 494,1395 167,1396 481.962,1397 182.957,1398 480.059,1399 692.81,1400 452,1401 4.84}
{0 CHEMBL1471839,1 1.927,2 5.154,3 2.785,4 7.754,5 56.936,6 14.362,7 0.786,8 3.056,9 3.152,10 3.173,11 2.755,12 4.331,13 2.732,14 3.467,15 3.575,16 3.67,17 3.113,18 4.845,19 3.072,20 3.611,21 3.744,22 3.656,23 3.201,24 4.849,25 3.115,26 3.532,27 3.695,28 3.576,29 3.005,30 4.873,31 2.893,32 3.337,33 3.532,34 3.563,35 2.67,36 4.629,37 2.513,38 2.63,39 2.831,40 2.534,41 2.049,42 3.668,43 1.74,44 1.448,45 1.634,46 3.028,47 1.234,48 2.661,49 0.934,56 0.076,57 0.273,58 2.428,59 1.053,60 7.329,61 0.919,62 0.163,63 0.4,64 5.625,65 1.861,66 12.116,67 1.94,68 0.167,69 0.446,70 18.565,71 2.953,72 12.15,73 2.603,74 0.199,75 0.396,76 12.848,77 2.68,78 18.066,79 2.373,80 0.237,81 0.268,82 12.435,83 2.812,84 19.334,85 2.341,86 0.128,87 0.099,88 20.422,89 2.124,90 11.793,91 1.807,92 0.049,93 0.019,94 12.054,95 0.768,96 3.596,97 0.687,104 10,105 20,106 0.418,107 0.741,108 0.822,109 0.88,110 0.88,111 0.88,112 2.671,113 1.011,114 -4.46,115 -4.39,116 -4.13,118 1,120 44.4,143 3,144 1,145 1,147 1,148 1,151 1,164 1,165 1,166 1,174 2,176 1,177 5,179 1,180 1,182 1,185 4,187 1,189 3,194 1,197 4,199 1,201 1,203 1,204 1,206 2,209 2,211 2,214 3,219 2,222 2,224 2,247 1,274 114,275 8.447,276 8.447,277 8.447,278 8.447,279 8.447,280 7.058,281 6.408,282 4.892,283 8.921,284 6.905,285 6.905,286 6.905,287 6.905,288 6.905,289 4.86,290 5.083,291 2.34,292 7.788,293 2.242,294 0.751,295 0.375,296 0.111,297 0.111,298 0.111,299 3.303,304 1,307 1,308 139,309 1.581,313 51.529,317 44.341,320 0.828,321 11.369,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 27.583,333 67,334 4.537,335 3.206,336 6.498,337 4.028,338 3.072,339 4.489,341 10.153,342 2.939,343 3.72,344 2.855,345 5.115,346 3.172,347 2.326,348 3.193,350 6.29,351 1.947,352 3.427,353 2.525,354 5.058,355 2.924,356 2.024,357 2.811,359 5.796,360 1.77,361 3.331,362 2.046,363 4.86,364 2.773,365 1.919,366 2.651,368 5.449,369 1.502,370 2.451,371 1.088,372 3.708,373 1.97,374 1.006,375 1.431,377 2.565,378 0.951,379 1.485,380 0.614,381 2.746,382 0.96,383 0.132,384 0.171,386 0.313,387 0.088,388 0.978,389 0.078,390 2.55,391 0.456,392 -0.434,393 -0.564,395 -1.129,396 -0.339,397 0.652,398 -0.234,399 2.339,400 0.164,401 -0.675,402 -0.814,404 -1.644,405 -0.358,406 0.472,407 -0.698,408 1.753,409 -0.039,410 -0.816,411 -1.108,413 -2.308,414 -0.716,415 0.011,416 -0.992,417 1.462,418 -0.519,419 -1.276,420 -1.684,422 -3.257,423 -0.957,424 -0.225,425 -1.358,426 1.139,427 -0.716,428 -1.517,429 -2.02,431 -4.205,432 -1.325,433 -0.339,434 -1.69,435 1.078,436 -0.901,437 -1.761,438 -2.555,440 -5.152,441 -1.63,442 -0.5,443 -2,444 1,445 -1,446 -2,447 -3,449 -5.976,450 -1.873,451 -0.5,452 -2,453 0.695,454 -1.072,455 -2,456 -3,458 -6.894,459 -2,469 7.248,470 0.558,471 0.421,472 0.032,473 19,474 1.462,475 10.5,476 0.808,477 8.5,478 0.654,479 8.309,480 0.639,481 12.552,482 0.697,483 9.274,484 0.713,485 3.488,486 0.268,487 2.677,488 0.206,489 0.338,491 0.345,496 0.868,497 1.071,498 0.463,499 0.489,500 1.111,501 0.538,502 0.359,503 0.862,504 0.574,505 0.682,506 0.35,507 0.7,508 0.994,509 1.201,510 1.074,511 1.023,512 0.885,513 1.007,514 0.988,515 1.132,516 0.919,517 0.999,518 0.981,519 1.133,520 1.428,521 1.004,522 1.151,523 1.334,524 1.433,525 1.278,526 2.13,527 0.522,528 2.566,529 1.995,530 2.036,531 1.751,532 0.148,533 0.12,534 0.986,535 0.295,536 0.317,537 0.053,544 3.5,546 1.556,547 1.063,548 1.058,549 0.174,550 0.121,554 936,555 4445,556 1.992,557 27.8,559 3,562 2,567 1.49,568 1.814,569 2.443,570 0.679,575 34.694,576 1.927,577 3.419,578 3.795,579 4.059,580 4.059,581 4.059,582 1.884,583 3.547,584 3.678,585 2.442,586 190.506,587 6.113,588 1381.47,590 1,593 75.059,594 1.549,595 3.601,596 0.25,598 0.078,599 0.056,600 0.076,601 0.022,602 0.06,606 0.541,607 0.83,608 1,609 0.773,610 45.931,611 -0.219,612 -0.007,613 -0.01,614 0.091,615 -0.386,616 0.087,617 0.394,618 0.17,619 0.018,620 -0.003,621 0.35,622 0.014,623 -0.229,624 -0.238,625 -0.153,626 -0.144,627 -0.142,628 -0.148,629 -0.048,630 -0.161,631 -0.074,632 -0.094,633 0.044,634 -0.204,635 -0.146,636 -0.14,637 -0.029,638 -0.186,639 -0.156,640 -0.106,641 -0.703,642 0.148,643 -0.552,644 -0.34,645 -0.694,646 -0.251,647 1.702,648 0.34,649 1.838,650 1.963,651 1.302,652 1.984,659 1.493,660 1.67,661 0.769,662 4.982,663 1.035,664 1.117,665 3.228,666 10.417,667 0.819,668 2.708,669 3.045,670 3.258,671 3.526,672 3.738,673 3.611,674 3.497,675 3.258,676 3.219,677 2.197,678 3.223,679 0.776,680 258.51,681 2.708,682 4.234,683 5.069,684 5.953,685 6.81,686 7.695,687 8.56,688 9.442,689 10.311,690 11.192,691 16.7,695 1,701 2,708 2,709 3,710 2,714 3,716 11,728 1,737 2,738 18,739 11,740 1,741 14,742 1,743 19,744 8,745 8,746 3,747 3,752 2,753 3,754 1,768 8,789 5,790 3,791 2,792 5,793 2,797 3,803 0.5,817 1,823 2,827 1,855 1,858 1,860 1,862 13,863 1,885 2,893 7.167,894 3.269,895 2.806,896 0.924,898 2.378,899 1.424,900 1.02,901 2.197,902 7.984,903 3.02,904 3.726,905 4.35,906 5,907 5.608,908 5.829,909 6.09,910 6.306,911 6.612,912 5.689,913 0.75,914 19,915 4.716,916 -0.003,917 1.963,918 7.9,919 8.745,920 -0.001,921 6.916,922 0.001,924 2.4,925 31.194,926 0.005,929 35.313,930 41.172,931 112.422,932 39.149,936 87.126,937 74.462,938 66.468,941 61.326,942 33.571,943 7.772,944 44.12,945 35.313,946 45.954,947 35.313,948 107.64,950 39.149,951 45.954,952 35.313,956 4.787,957 69.282,958 33.571,959 85.103,960 35.313,961 66.468,962 126.275,965 35.313,966 12.743,967 28.429,968 45.954,969 105.617,970 35.313,971 66.468,972 126.275,973 0.592,974 0.335,975 0.186,976 0.108,977 11,978 5,981 1,982 1.2,983 2.445,984 80.855,985 0.2,986 10,987 48.106,993 8.878,994 3.218,995 1.655,996 1.555,997 66.468,998 5.579,999 7.885,1003 1.515,1005 32.897,1006 228.056,1007 19.5,1020 18.625,1021 20.111,1022 0.462,1023 0.82,1024 0.91,1025 0.973,1026 0.973,1027 0.973,1028 4.23,1029 -0.675,1030 5.081,1031 -1.129,1032 3.714,1033 4.407,1035 5.889,1036 3.506,1037 5.489,1038 -0.816,1039 6.642,1040 -1.644,1041 3.434,1042 4.407,1044 6.763,1045 3.045,1046 6.824,1047 -1.276,1048 8.298,1049 -2.308,1050 5.303,1051 6.755,1053 9.85,1054 4.979,1055 8.193,1056 -1.517,1057 10.007,1058 -3.257,1059 5.74,1060 7.509,1062 11.519,1063 5.31,1064 9.588,1065 -1.761,1066 11.749,1067 -4.205,1068 7.166,1069 9.386,1071 14.152,1072 6.774,1073 11.004,1074 -2,1075 13.516,1076 -5.152,1077 7.958,1078 10.523,1080 16.19,1081 7.51,1082 12.437,1083 -2,1084 15.304,1085 -5.976,1086 9.201,1087 12.192,1089 18.642,1090 8.759,1091 3.072,1093 17.107,1094 -6.894,1095 10.169,1096 13.524,1098 20.842,1099 9.686,1100 2.326,1101 10.153,1102 18.923,1104 11.337,1105 15.099,1107 23.218,1108 10.839,1109 2.024,1110 6.29,1111 20.751,1112 4.489,1113 12.388,1114 16.524,1116 25.486,1117 11.851,1118 1.919,1119 5.796,1120 22.587,1121 3.193,1122 13.527,1123 18.057,1125 27.83,1126 12.962,1127 1.006,1128 5.449,1129 24.431,1130 2.811,1131 14.617,1132 19.524,1134 30.127,1135 14.011,1136 0.132,1137 2.565,1138 26.28,1139 2.651,1140 15.744,1141 21.04,1143 32.456,1144 15.104,1145 -0.434,1146 0.313,1147 28.134,1148 1.431,1149 16.852,1150 22.526,1152 34.765,1153 16.17,1154 1003,1155 2250,1156 8.959,1157 14.75,1158 21.188,1159 21.719,1160 21.906,1161 21.194,1162 20.959,1163 29.49,1165 61.132,1166 18.393,1167 5.037,1168 5.206,1169 5.803,1170 5.1,1171 5.072,1172 7.489,1174 17.047,1175 4.939,1176 6.563,1177 1.513,1178 1.551,1179 1.565,1180 1.514,1181 1.497,1182 2.106,1184 4.367,1185 1.314,1186 4.051,1187 4.08,1188 6.88,1189 3.981,1190 5.265,1191 3.98,1192 3.435,1193 3.48,1194 4.06,1195 3.322,1196 4.872,1197 3.311,1198 3.084,1199 3.16,1200 3.588,1201 2.918,1202 4.633,1203 2.917,1204 2.739,1205 2.833,1206 3.125,1207 2.677,1208 4.022,1209 2.614,1210 2.625,1211 2.65,1212 2.681,1213 2.388,1214 3.819,1215 2.402,1216 2.015,1217 2.126,1218 2.482,1219 1.795,1220 3.448,1221 1.686,1222 1.632,1223 1.734,1224 2.075,1225 1.596,1226 3.238,1227 1.48,1228 1.507,1229 1.629,1230 1.702,1231 1.176,1232 2.514,1233 1.105,1234 0.324,1235 0.229,1236 0.464,1237 0.288,1238 0.219,1239 4.537,1240 0.321,1241 3.206,1243 6.498,1244 0.725,1245 4.028,1246 0.21,1247 3.072,1248 4.489,1250 10.153,1251 2.939,1252 1.999,1253 1.976,1254 2.033,1255 2.095,1256 1.168,1257 2.086,1258 1.347,1259 1.306,1260 1.437,1261 1.536,1262 0.404,1263 1.53,1264 1.008,1265 0.954,1266 1.121,1267 1.249,1268 0.197,1269 1.236,1270 0.676,1271 0.591,1272 1.033,1273 0.987,1275 1.022,1276 0.557,1277 0.508,1278 0.604,1279 0.659,1281 0.683,1284 0.171,1285 0.24,1287 0.231,1290 0.066,1293 0.068,1300 3.367,1302 4.691,1304 6.221,1306 7.853,1308 9.538,1309 3.341,1311 5.65,1313 5.67,1326 13.971,1327 34.694,1328 61.549,1329 68.304,1330 73.059,1331 73.059,1332 73.059,1333 12.739,1334 5.606,1335 51.8,1336 51.8,1337 12,1338 11.729,1339 3.585,1340 2.7,1341 19.04,1342 26,1343 21,1344 0.414,1345 98.715,1346 154.73,1347 232.625,1348 1402,1349 11.1,1350 9.422,1351 0.725,1352 0.677,1353 10.922,1354 8.802,1355 6.165,1356 0.44,1357 0.337,1358 3.588,1359 5.15,1360 3.434,1361 2.826,1362 7.031,1363 4.72,1364 5.896,1365 0.295,1366 0.19,1367 7.121,1368 3.793,1369 4.52,1370 0.181,1371 0.093,1372 5.281,1373 2.322,1374 3.9,1375 0.118,1376 0.05,1377 4.676,1378 1.638,1379 3.148,1380 0.077,1381 0.029,1382 4.021,1383 1.172,1384 0.589,1385 49.64,1386 0.334,1387 12.7,1388 1.314,1389 68,1390 221.46,1391 155.936,1392 287.078,1393 370.85,1394 264,1395 79,1396 226.075,1397 121.852,1398 253.329,1399 370.62,1400 237,1401 5.244}
{0 CHEMBL1471899,1 1.703,2 9.3,3 2.897,4 8.395,5 75.2,6 7.838,7 0.5,8 3.681,9 3.803,10 3.291,11 3.175,12 4.82,13 3.182,14 4.212,15 4.386,16 3.623,17 3.536,18 5.361,19 3.51,20 4.465,21 4.708,22 3.604,23 3.607,24 5.51,25 3.558,26 4.414,27 4.671,28 3.399,29 3.427,30 5.436,31 3.363,32 4.168,33 4.431,34 3.287,35 3.17,36 5.175,37 3.159,38 3.94,39 4.142,40 3.229,41 3.031,42 5.208,43 3.05,44 3.808,45 4.015,46 3.023,47 2.986,48 5.001,49 2.968,50 3.647,51 3.858,52 2.786,53 2.977,54 4.683,55 2.88,56 0.081,57 0.611,58 6.635,59 3.071,60 7.182,61 3.844,62 0.294,63 0.93,64 13.069,65 5.208,66 21.626,67 6.9,68 0.378,69 1.077,70 19.782,71 6.206,72 39.736,73 8.691,74 0.456,75 0.907,76 19.522,77 5.308,78 42.496,79 7.751,80 0.372,81 0.688,82 15.688,83 3.665,84 30.293,85 5.589,86 0.462,87 0.616,88 11.468,89 2.575,90 38.784,91 3.669,92 0.305,93 0.599,94 9.747,95 2.535,96 26.046,97 3.466,98 0.165,99 0.508,100 7.677,101 2.909,102 14.4,103 4.12,104 2,105 29,106 0.313,107 0.649,108 0.777,109 0.848,110 0.848,111 0.848,112 3.057,113 0.915,114 -5.51,115 -5.38,116 -5.03,120 40,122 4,126 1,143 4,144 1,145 1,159 1,162 1,163 1,167 1,174 7,176 2,177 4,180 3,182 1,185 6,189 7,192 1,194 1,197 3,200 2,201 8,206 3,213 1,214 5,219 2,227 6,232 2,235 1,240 4,247 3,252 2,260 6,271 6,274 468,275 13.792,276 13.792,277 13.792,278 13.792,279 13.792,280 12.201,281 12.629,282 8.449,283 14.057,284 10.904,285 10.904,286 10.904,287 10.904,288 10.904,289 8.548,290 14.811,291 4.097,292 11.357,293 3.426,294 1.599,295 0.9,296 0.514,297 0.514,298 0.514,299 3.743,305 1,306 1,307 1,308 402,309 1.871,312 52.977,313 64.372,314 73.687,320 1.6,321 21.522,323 1,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 44.5,333 186,334 4.313,335 3.156,336 6.188,337 3.914,338 2.94,339 3.979,340 1.408,341 9.252,342 2.865,343 3.946,344 2.972,345 5.552,346 3.546,347 2.6,348 3.453,349 0.269,350 7.582,351 2.453,352 3.752,353 2.774,354 5.113,355 3.301,356 2.355,357 3.076,359 6.313,360 2.222,361 3.419,362 2.297,363 4.955,364 3.015,365 2.068,366 2.711,368 5.81,369 1.946,370 2.739,371 1.698,372 4.173,373 2.587,374 1.605,375 1.808,377 3.669,378 1.573,379 2.608,380 1.47,381 3.693,382 2.217,383 1.256,384 1.603,386 3.247,387 1.207,388 2.5,389 1.402,390 3.414,391 2.202,392 1.247,393 1.5,395 2.606,396 1.183,397 2.294,398 1,399 3.414,400 2,401 1,402 1.278,404 2.275,405 1,406 2.182,407 0.737,408 3.275,409 1.683,410 0.699,411 1.03,413 1.695,414 0.687,415 1.247,416 0.372,417 2.84,418 1.084,419 0.138,420 0.146,422 0.328,423 0.13,424 1.094,425 0.263,426 2.387,427 0.708,428 -0.208,429 -0.258,431 -0.461,432 -0.184,433 0.799,434 -0.103,435 2,436 0.532,437 -0.445,438 -0.482,440 -1,441 -0.434,442 0.517,443 -0.322,444 2,445 0.337,446 -0.604,447 -0.696,449 -1.564,450 -0.566,451 0.5,452 -0.875,453 1.849,455 -1,456 -1.385,458 -2.966,459 -1,460 0.108,461 -1,462 1.617,463 -0.256,464 -1.16,465 -1.5,467 -3,468 -1.035,469 9.219,470 0.461,471 0.362,472 0.018,473 25.25,474 1.263,475 12,476 0.6,477 13.25,478 0.663,479 14.097,480 0.705,481 21.981,482 0.628,483 15.629,484 0.781,485 4.909,486 0.245,487 4.901,488 0.245,489 0.031,491 0.271,494 1,496 0.671,497 1.145,498 0.703,499 1.141,500 0.53,501 0.973,502 0.549,503 1.051,504 0.8,505 1.171,506 0.511,507 1.086,508 0.944,509 1.014,510 0.893,511 0.965,512 0.859,513 0.919,514 1.044,515 0.951,516 1.064,517 0.997,518 0.835,519 1.018,520 1.131,521 0.761,522 0.825,523 0.632,524 0.624,525 0.629,526 1.311,527 0.883,528 1.119,529 0.787,530 0.876,531 0.862,532 1.38,533 0.884,534 1.254,535 0.803,536 1.031,537 0.944,538 0.482,539 0.768,540 1.108,541 1.129,542 0.547,543 1.242,544 3.5,545 0.048,546 1.556,547 0.847,548 0.597,549 0.421,550 0.267,551 0.178,552 0.039,553 0.061,554 4168,555 11679,556 2.138,557 42.9,558 4,559 6,562 1,563 2,564 2,567 1.612,568 2.069,569 3.227,570 -0.222,572 1,574 1,575 59.619,576 1.703,577 3.53,578 4.229,579 4.615,580 4.615,581 4.615,582 2.709,583 3.722,584 4.294,585 3.354,586 637.265,587 7.308,588 6606.33,589 1,590 1,591 1,592 1,593 179.525,594 1.076,595 4.283,596 0.159,597 0.006,598 0.054,599 0.03,600 0.028,601 0.021,602 0.015,603 0.012,604 0.003,605 0.006,606 0.334,607 0.5,608 0.88,609 0.432,610 89.698,611 -0.002,612 -0.083,613 0.055,614 -0.071,615 0.014,616 -0.01,617 0.222,618 -0.079,619 0.052,620 -0.154,621 0.129,622 -0.119,623 -0.064,624 -0.089,625 0.073,626 -0.001,627 -0.004,628 0.06,629 -0.081,630 -0.103,631 -0.061,632 -0.098,633 -0.041,634 -0.076,635 -0.137,636 -0.028,637 0.206,638 0.217,639 -0.022,640 0.29,641 0.014,642 0.072,643 -0.121,644 0.059,645 0.067,646 -0.032,647 -0.24,648 0.124,649 -0.3,650 0.086,651 -0.087,652 -0.079,653 0.057,654 0.175,655 -0.27,656 -0.114,657 0.015,658 -0.243,659 1.959,660 4.86,661 0.9,662 15.28,663 1.016,664 1.144,665 4.277,666 18.295,667 0.657,668 3.135,669 3.401,670 3.611,671 3.829,672 3.989,673 4.078,674 4.043,675 4.111,676 4.174,677 4.111,678 5.544,679 0.638,680 274.33,681 3.135,682 4.635,683 5.451,684 6.293,685 7.127,686 7.976,687 8.817,688 9.669,689 10.515,690 11.37,691 11.4,696 1,700 1,701 2,709 4,710 2,712 1,714 4,716 11,729 1,737 1,738 35,739 12,740 1,741 22,743 37,744 14,745 8,746 2,747 4,752 3,753 3,763 4,766 4,768 9,769 5,772 1,781 1,782 1,785 1,786 1,787 1,789 15,790 6,791 1,792 6,797 4,799 1,803 1,804 1,822 1,823 1,824 1,855 3,861 1,862 20,869 5,871 1,885 1,886 2.9,891 1,893 9.667,894 6.243,895 4.444,896 2.277,898 2.291,899 1.346,900 0.988,901 3.956,902 8.903,903 3.384,904 3.927,905 4.432,906 4.966,907 5.367,908 5.642,909 5.941,910 6.247,911 6.534,912 6.597,913 1,914 28,915 7.378,917 3.109,918 7.842,919 14.036,921 11.318,924 2.342,925 46.833,926 0.001,929 164.795,930 74.394,931 68.122,933 9.507,934 14.96,936 74.394,937 174.303,938 83.082,940 12.244,941 37.905,942 58.685,943 43.191,944 14.96,945 164.795,947 164.795,948 142.517,949 24.467,952 156.213,953 33.05,956 38.641,957 52.54,958 51.337,960 179.756,961 77.63,962 74.394,965 164.795,966 36.49,967 37.905,968 18.011,969 74.579,970 164.795,971 92.59,972 74.394,973 0.567,974 0.315,975 0.167,976 0.091,977 14,978 5,979 0.081,980 3,982 1,983 3.393,984 144.304,986 18,987 82.439,993 13.104,994 6.038,995 3.368,997 92.59,998 5.94,999 7.886,1001 5.517,1003 1.084,1005 18.011,1006 331.78,1007 28.5,1016 4.44,1017 0.886,1020 35.549,1021 40.034,1022 0.332,1023 0.688,1024 0.824,1025 0.9,1026 0.9,1027 0.9,1028 4.582,1029 1,1030 5.389,1031 2.606,1032 4.078,1033 4.61,1034 1.51,1035 6.103,1036 3.998,1037 5.75,1038 0.699,1039 6.878,1040 2.275,1041 3.434,1042 4.205,1043 0.904,1044 6.763,1045 3.27,1046 7.023,1047 0.138,1048 8.463,1049 1.695,1050 5.572,1051 6.711,1052 1.826,1053 9.827,1054 5.415,1055 8.331,1056 -0.208,1057 10.105,1058 0.328,1059 5.771,1060 7.164,1061 1.671,1062 11.351,1063 5.54,1064 9.67,1065 -0.445,1066 11.785,1067 -0.461,1068 7.317,1069 9.074,1070 2.304,1071 13.878,1072 7.089,1073 11.03,1074 -0.604,1075 13.492,1076 -1,1077 7.933,1078 9.94,1079 2.379,1080 15.773,1081 7.649,1082 12.407,1083 -1,1084 15.218,1085 -1.564,1086 9.21,1087 11.581,1088 2.873,1089 18.107,1090 8.922,1091 2.94,1092 -1.16,1093 16.96,1094 -2.966,1095 10.042,1096 12.667,1097 3.073,1098 20.173,1099 9.712,1100 2.6,1101 9.252,1102 18.713,1103 -3,1104 11.196,1105 14.175,1106 3.495,1107 22.433,1108 10.855,1109 2.355,1110 7.582,1111 20.476,1112 3.979,1113 12.139,1114 15.385,1115 3.762,1116 24.579,1117 11.767,1118 2.068,1119 6.313,1120 22.247,1121 3.453,1122 13.239,1123 16.826,1124 4.147,1125 26.812,1126 12.852,1127 1.605,1128 5.81,1129 24.025,1130 3.076,1131 14.241,1132 18.105,1133 4.449,1134 28.996,1135 13.827,1136 1.256,1137 3.669,1138 25.808,1139 2.711,1140 15.318,1141 19.513,1142 4.814,1143 31.22,1144 14.886,1145 1.247,1146 3.247,1147 27.596,1148 1.808,1149 16.35,1150 20.832,1151 5.136,1152 33.423,1153 15.895,1154 4002,1155 6877,1156 15.197,1157 22.983,1158 32.186,1159 31.993,1160 32.512,1161 31.919,1162 31.816,1163 41.174,1164 3.354,1165 85.555,1166 30.529,1167 5.238,1168 5.156,1169 5.986,1170 4.98,1171 4.94,1172 6.979,1173 2.428,1174 15.541,1175 4.865,1176 5.719,1177 1.463,1178 1.454,1179 1.478,1180 1.451,1181 1.446,1182 1.872,1183 0.152,1184 3.889,1185 1.388,1186 3.986,1187 4.016,1188 3.954,1189 3.864,1190 8.201,1191 3.874,1192 3.835,1193 3.892,1194 3.741,1195 3.692,1196 5.274,1197 3.69,1198 3.663,1199 3.704,1200 3.607,1201 3.382,1202 4.645,1203 3.445,1204 3.246,1205 3.324,1206 3.113,1207 3.08,1208 4.564,1209 3.068,1210 3.189,1211 3.279,1212 2.99,1213 2.967,1214 3.96,1215 2.973,1216 2.857,1217 2.925,1218 2.813,1219 2.735,1220 3.886,1221 2.715,1222 2.854,1223 2.909,1224 2.687,1225 2.675,1226 3.72,1227 2.697,1228 2.502,1229 2.63,1230 2.326,1231 2.159,1232 3.674,1233 2.179,1234 0.196,1235 0.143,1236 0.281,1237 0.178,1238 0.134,1239 4.313,1240 0.181,1241 3.156,1242 0.064,1243 6.188,1244 0.421,1245 3.914,1246 0.13,1247 2.94,1248 3.979,1249 1.408,1250 9.252,1251 2.865,1252 1.888,1253 1.866,1254 1.984,1255 1.985,1256 1.317,1257 1.983,1258 1.701,1259 1.638,1260 1.96,1261 1.87,1262 1.065,1263 1.9,1264 1.612,1265 1.545,1266 1.803,1267 1.844,1268 1.044,1269 1.834,1270 1.18,1271 1.167,1272 1.31,1273 1.503,1274 0.429,1275 1.449,1276 1.101,1277 1.031,1278 1.181,1279 1.395,1280 0.266,1281 1.323,1282 0.886,1283 0.821,1284 1.171,1285 1.062,1286 0.218,1287 1.107,1288 0.699,1289 0.589,1290 1.133,1291 0.992,1292 0.188,1293 1.048,1294 0.586,1295 0.479,1296 0.916,1297 0.925,1298 0.017,1299 0.924,1300 3.807,1302 5.081,1303 2.398,1304 6.524,1305 4.727,1306 8.043,1307 6.763,1308 9.607,1312 12.86,1315 5.162,1317 3.058,1326 22.345,1327 59.619,1328 123.551,1329 148.015,1330 161.525,1331 161.525,1332 161.525,1333 27.837,1334 6.612,1335 63.31,1336 63.31,1337 18,1338 11.926,1339 3.7,1340 2.907,1341 30.127,1342 67,1343 62,1344 0.224,1345 137.69,1346 234.9,1347 327.724,1348 6135,1349 2.9,1350 13.786,1351 0.689,1352 0.549,1353 12.916,1354 10.973,1355 9.81,1356 0.446,1357 0.305,1358 6.593,1359 9.32,1360 6.522,1361 5.397,1362 9.416,1363 6.709,1364 8.552,1365 0.295,1366 0.161,1367 7.931,1368 4.683,1369 6.95,1370 0.193,1371 0.087,1372 6.54,1373 3.142,1374 5.584,1375 0.124,1376 0.046,1377 5.432,1378 2.082,1379 4.354,1380 0.082,1381 0.026,1382 4.13,1383 1.363,1384 0.353,1385 62.311,1386 0.257,1387 20.207,1388 0.607,1389 102,1390 375.115,1391 117.697,1392 333.124,1393 450.71,1394 312,1395 116,1396 336.434,1397 130.944,1398 327.738,1399 476.89,1400 309,1401 4.796}
{0 CHEMBL1472925,1 1.37,2 8.957,3 3.18,4 10.112,5 92.272,6 7.702,7 0.846,8 3.777,9 3.901,10 3.392,11 3.399,12 4.929,13 3.374,14 4.24,15 4.395,16 3.754,17 3.778,18 5.32,19 3.739,20 4.448,21 4.637,22 3.828,23 3.885,24 5.516,25 3.832,26 4.503,27 4.696,28 3.83,29 3.887,30 5.595,31 3.827,32 4.583,33 4.807,34 3.731,35 3.854,36 5.652,37 3.783,38 4.564,39 4.832,40 3.504,41 3.756,42 5.518,43 3.639,44 4.29,45 4.549,46 3.147,47 3.54,48 5.2,49 3.39,50 4.059,51 4.335,52 2.824,53 3.299,54 4.878,55 3.12,56 0.059,57 0.585,58 7.234,59 3.17,60 8.616,61 4.151,62 0.099,63 0.922,64 12.383,65 5.334,66 9.977,67 7.154,68 0.156,69 1.131,70 16.464,71 6.422,72 17.676,73 8.725,74 0.113,75 1.189,76 17.467,77 6.826,78 20.457,79 9.344,80 0.228,81 1.314,82 20.205,83 6.393,84 32.471,85 8.689,86 0.222,87 1.213,88 21.722,89 7.359,90 32.144,91 10.356,92 0.138,93 0.883,94 16.164,95 6.179,96 23.134,97 8.67,98 0.081,99 0.661,100 13.285,101 5.528,102 16.374,103 7.884,104 5,105 37,106 0.239,107 0.538,108 0.63,109 0.707,110 0.749,111 0.785,112 3.19,113 0.866,114 -4.92,115 -4.82,116 -4.52,120 48.7,121 1,143 10,144 4,146 1,147 1,154 1,162 1,164 1,165 1,166 1,167 1,174 14,176 1,177 6,179 1,180 1,182 1,185 17,187 1,188 1,189 6,191 1,192 1,194 1,197 11,199 1,201 12,203 1,204 1,206 4,209 6,211 4,214 13,219 3,222 5,224 3,227 7,232 3,235 8,237 3,240 1,245 2,247 10,249 2,257 1,260 11,262 1,271 10,274 590,275 15.897,276 15.897,277 15.897,278 15.897,279 15.897,280 13.266,281 5.588,282 9.43,283 16.063,284 12.844,285 12.844,286 12.844,287 12.844,288 12.844,289 9.025,290 5.888,291 4.47,292 13.134,293 3.916,294 2.206,295 1.679,296 1.238,297 0.994,298 0.789,299 3.889,305 1,306 1,307 1,308 457,309 2,312 45.818,313 182.242,316 82.249,320 1.611,321 11.624,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48,333 206,334 4.745,335 3.362,336 6.983,337 4.284,338 3.323,339 4.708,341 11.814,342 3.198,343 4.297,344 2.955,345 6.559,346 3.925,347 2.934,348 3.927,350 10.307,351 2.909,352 3.884,353 2.475,354 5.877,355 3.437,356 2.46,357 3.462,359 7.987,360 2.399,361 3.531,362 2.233,363 5.174,364 3.066,365 2.089,366 3,368 5.967,369 2.044,370 3.427,371 2.032,372 5.053,373 2.949,374 1.987,375 2.817,377 5.65,378 1.903,379 3.003,380 1.567,381 4.293,382 2.542,383 1.557,384 2.219,386 3.757,387 1.531,388 2.763,389 1.345,390 3.824,391 2.305,392 1.314,393 1.879,395 2.944,396 1.301,397 2.58,398 1.135,399 3.638,400 2.045,401 1.1,402 1.618,404 2.686,405 1.037,406 2.5,407 1,408 3.486,409 2,410 1,411 1.5,413 2.299,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.293,425 0.889,426 3.247,427 1.83,428 0.844,429 1.204,431 2.136,432 0.831,433 1.319,434 0.202,435 3.082,436 0.995,437 0.033,438 0.04,440 0.087,441 0.032,442 1.125,443 -0.089,444 2.717,445 0.711,446 -0.233,447 -0.304,449 -0.587,450 -0.219,451 0.694,452 -0.67,453 2.286,454 0.256,455 -0.732,456 -0.988,458 -1.693,459 -0.723,460 0.573,461 -0.814,462 2.099,463 0.123,464 -0.871,465 -1.195,467 -1.941,468 -0.865,469 11.1,470 0.483,471 0.504,472 0.022,473 35,474 1.522,475 20.5,476 0.891,477 14.5,478 0.63,479 14.625,480 0.636,481 22.5,482 0.577,483 23.834,484 1.036,485 7.045,486 0.306,487 4.209,488 0.183,489 0.081,491 0.351,496 0.868,497 0.993,498 0.757,499 0.852,500 1.134,501 0.804,502 0.709,503 1.077,504 0.763,505 0.951,506 0.738,507 0.88,508 1.022,509 1.057,510 0.886,511 0.938,512 0.865,513 0.905,514 1.022,515 1.362,516 0.942,517 1.146,518 0.849,519 1.057,520 1.979,521 1.174,522 1.278,523 1.007,524 1.637,525 1.056,526 1.509,527 0.922,528 1.113,529 0.888,530 1.23,531 0.945,532 1.1,533 0.853,534 1.165,535 1.015,536 1.256,537 1.081,538 0.533,539 0.785,540 0.974,541 1.006,542 0.86,543 1.031,544 3,545 0.016,546 2.667,547 2.035,548 1.548,549 0.816,550 0.534,551 0.266,552 0.115,553 0.009,554 5501,555 12933,556 2.168,557 41,559 10,561 1,562 2,563 3,567 1.66,568 2.06,569 3.129,570 0.235,571 1,572 1,574 1,575 53.42,576 1.37,577 3.08,578 3.606,579 4.048,580 4.292,581 4.497,582 2.714,583 3.915,584 4.492,585 3.25,586 822.124,587 7.752,588 8884.28,589 1,590 1,591 1,592 1,593 206.131,594 1.302,595 4.469,596 0.115,597 0.002,598 0.072,599 0.052,600 0.041,601 0.025,602 0.021,603 0.015,604 0.009,605 0.001,606 0.352,607 0.5,608 1,609 0.503,610 105.336,611 0.086,612 0.08,613 0.051,614 0.056,615 -0.206,616 0.051,617 0.23,618 -0.04,619 0.095,620 -0.02,621 0.012,622 0.014,623 0.091,624 -0.013,625 0.031,626 -0.012,627 0.08,629 0.09,630 -0.334,631 -0.014,632 -0.22,633 0.212,634 -0.146,635 -0.413,636 -0.063,637 -0.293,638 -0.131,639 -0.294,640 -0.186,641 -0.242,642 0.084,643 -0.068,644 0.069,645 -0.087,646 0.028,647 -0.193,648 0.082,649 -0.154,650 -0.013,651 -0.183,652 -0.066,653 0.042,654 0.058,655 0.056,656 0.061,657 0.027,658 0.061,659 1.055,660 2.404,661 0.913,662 18.216,663 0.993,664 1.115,665 3.688,666 13.599,667 0.707,668 3.296,669 3.638,670 3.989,671 4.317,672 4.543,673 4.654,674 4.82,675 4.97,676 4.977,677 4.997,678 5.202,679 0.673,680 300.39,681 3.296,682 4.844,683 5.727,684 6.629,685 7.531,686 8.444,687 9.355,688 10.274,689 11.189,690 12.111,691 10.3,695 1,699 1,701 2,708 1,709 11,710 2,714 6,716 22,728 1,738 39,739 22,740 2,741 26,743 42,744 19,745 18,746 2,747 10,752 4,753 5,759 1,768 18,769 1,785 1,786 1,789 16,790 3,791 2,792 4,797 4,803 0.75,814 1,817 1,822 1,823 3,826 1,855 3,859 1,862 23,863 1,893 11.167,894 7.35,895 5.028,896 2.258,898 4.017,899 1.548,900 1.058,901 3.268,902 11.349,903 3.638,904 4.321,905 5.02,906 5.706,907 6.297,908 6.706,909 7.236,910 7.745,911 8.086,912 8.47,913 1,914 39,915 8.44,917 3.601,918 7.572,919 16.269,921 13.48,924 2.072,925 47.667,929 164.795,930 132.177,931 67.51,936 132.177,937 164.795,938 67.51,939 8.825,941 127.66,942 46.935,943 28.038,945 153.024,947 164.795,948 199.687,952 164.795,956 25.837,957 140.402,958 33.449,960 164.795,961 67.51,962 132.177,965 164.795,966 19.542,967 113.799,969 66.346,970 164.795,971 67.51,972 132.177,973 0.581,974 0.357,975 0.209,976 0.112,977 20,978 8,979 0.048,980 2,981 1,982 1.095,983 3.497,984 197.065,985 0.095,986 21,987 96.042,993 13.83,994 5.434,995 2.252,996 0.783,997 66.346,998 21.987,999 9.221,1003 5.565,1005 32.897,1006 364.482,1007 37,1020 38.709,1021 43.484,1022 0.259,1023 0.583,1024 0.682,1025 0.766,1026 0.812,1027 0.851,1028 4.856,1029 1.1,1030 5.714,1031 2.944,1032 4.317,1033 5.007,1035 6.583,1036 4.269,1037 6.092,1038 1,1039 7.303,1040 2.686,1041 3.892,1042 4.808,1044 7.609,1045 3.806,1046 7.418,1047 1,1048 9.002,1049 2.299,1050 5.948,1051 7.321,1053 10.791,1054 5.846,1055 8.789,1056 0.844,1057 10.769,1058 2.136,1059 6.415,1060 8.027,1062 12.68,1063 6.27,1064 10.197,1065 0.033,1066 12.578,1067 2.136,1068 7.915,1069 9.958,1071 15.374,1072 7.752,1073 11.633,1074 -0.233,1075 14.416,1076 0.087,1077 8.783,1078 11.096,1080 17.591,1081 8.577,1082 13.09,1083 -0.732,1084 16.274,1085 -0.587,1086 10.074,1087 12.788,1089 20.126,1090 9.843,1091 3.323,1092 -0.871,1093 18.147,1094 -1.693,1095 11.12,1096 14.138,1098 22.477,1099 10.846,1100 2.934,1101 11.814,1102 20.031,1103 -1.941,1104 12.335,1105 15.732,1107 24.956,1108 12.03,1109 2.46,1110 10.307,1111 21.924,1112 4.708,1113 13.459,1114 17.184,1116 27.363,1117 13.112,1118 2.089,1119 7.987,1120 23.823,1121 3.927,1122 14.649,1123 18.741,1125 29.825,1126 14.267,1127 1.987,1128 5.967,1129 25.727,1130 3.462,1131 15.808,1132 20.241,1134 32.258,1135 15.383,1136 1.557,1137 5.65,1138 27.636,1139 3,1140 16.992,1141 21.786,1143 34.715,1144 16.53,1145 1.314,1146 3.757,1147 29.548,1148 2.817,1149 18.167,1150 23.309,1152 37.162,1153 17.663,1154 5181,1155 8065,1156 17.8,1157 27.591,1158 39.74,1159 39.393,1160 40.618,1161 39.311,1162 39.286,1163 55.747,1165 115.54,1166 38.367,1167 5.394,1168 5.362,1169 6.785,1170 5.355,1171 5.323,1172 7.708,1174 19.525,1175 5.198,1176 7.828,1177 1.528,1178 1.515,1179 1.562,1180 1.512,1181 1.511,1182 2.144,1184 4.444,1185 1.476,1186 4.152,1187 4.199,1188 4.133,1189 4.021,1190 5.232,1191 4.04,1192 3.895,1193 3.923,1194 3.833,1195 3.848,1196 4.864,1197 3.841,1198 3.789,1199 3.832,1200 3.72,1201 3.677,1202 4.741,1203 3.686,1204 3.412,1205 3.472,1206 3.32,1207 3.297,1208 4.683,1209 3.295,1210 3.153,1211 3.25,1212 3.018,1213 2.929,1214 4.376,1215 2.934,1216 2.854,1217 2.925,1218 2.69,1219 2.735,1220 3.735,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.815,1229 2.89,1230 2.687,1231 2.692,1232 3.674,1233 2.686,1234 0.183,1235 0.129,1236 0.269,1237 0.165,1238 0.128,1239 4.745,1240 0.181,1241 3.362,1243 6.983,1244 0.454,1245 4.284,1246 0.123,1247 3.323,1248 4.708,1250 11.814,1251 3.198,1252 1.989,1253 1.961,1254 2.07,1255 2.112,1256 1.191,1257 2.093,1258 1.907,1259 1.882,1260 2.021,1261 1.977,1262 1.105,1263 1.994,1264 1.718,1265 1.673,1266 1.835,1267 1.878,1268 0.899,1269 1.873,1270 1.352,1271 1.31,1272 1.519,1273 1.557,1274 0.62,1275 1.551,1276 1.228,1277 1.138,1278 1.479,1279 1.435,1280 0.494,1281 1.462,1282 0.916,1283 0.854,1284 1.181,1285 1.224,1286 0.218,1287 1.2,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.105,1297 1.062,1298 0.179,1299 1.107,1300 3.97,1302 5.303,1303 2.398,1304 6.853,1305 4.727,1306 8.503,1307 6.862,1308 10.206,1310 1.987,1313 6.404,1326 26.246,1327 53.42,1328 120.103,1329 140.647,1330 157.866,1331 167.376,1332 175.376,1333 26.128,1334 7.332,1335 56.21,1336 56.21,1337 23,1338 12.619,1339 4.524,1340 3.585,1341 31.75,1342 74,1343 68,1344 0.226,1345 161.355,1346 261.82,1347 385.465,1348 13691,1350 15.811,1351 0.687,1352 0.555,1353 15.811,1354 12.77,1355 11.254,1356 0.433,1357 0.289,1358 7.44,1359 11.002,1360 7.23,1361 6.036,1362 11.254,1363 7.501,1364 10.015,1365 0.271,1366 0.148,1367 10.015,1368 5.483,1369 8.966,1370 0.169,1371 0.076,1372 8.966,1373 4.011,1374 8.084,1375 0.109,1376 0.039,1377 8.084,1378 2.915,1379 6.368,1380 0.068,1381 0.02,1382 6.368,1383 1.889,1384 0.342,1385 69.213,1386 0.237,1387 22.151,1388 0.66,1389 126,1390 308.248,1391 133.66,1392 313.876,1393 452.47,1394 296,1395 153,1396 359.18,1397 162.159,1398 367.678,1399 542.03,1400 348,1401 6.796}
{0 CHEMBL1477670,1 1.585,2 9.455,3 5.638,4 31.785,5 101.096,6 8.461,7 0.261,8 3.791,9 3.908,10 3.515,11 3.458,12 4.822,13 3.36,14 4.316,15 4.493,16 3.975,17 3.847,18 5.322,19 3.724,20 4.573,21 4.762,22 3.94,23 4.008,24 5.554,25 3.828,26 4.625,27 4.886,28 4.004,29 3.916,30 5.538,31 3.721,32 4.411,33 4.622,34 3.587,35 3.778,36 5.354,37 3.603,38 4.406,39 4.627,40 3.653,41 3.793,42 5.314,43 3.632,44 4.532,45 4.769,46 3.587,47 3.841,48 5.379,49 3.624,50 4.597,51 4.914,52 3.818,53 3.75,54 5.374,55 3.498,56 0.023,57 0.561,58 8.116,59 4.003,60 7.411,61 5.344,62 0.113,63 0.937,64 19.161,65 7.303,66 17.853,67 9.475,68 0.207,69 1.162,70 32.185,71 10.299,72 28.612,73 12.187,74 0.261,75 1.135,76 36.051,77 10.706,78 35.9,79 13.617,80 0.258,81 1.052,82 28.137,83 8.201,84 28.011,85 9.417,86 0.141,87 0.933,88 21.039,89 8.092,90 23.642,91 10.868,92 0.115,93 1.034,94 24.214,95 9.471,96 24.845,97 12.694,98 0.283,99 1.017,100 37.43,101 11.303,102 34.659,103 14.319,104 39,105 33,106 0.282,107 0.611,108 0.724,109 0.812,110 0.812,111 0.812,112 3.146,113 1.145,114 -5.92,115 -5.77,116 -5.38,120 40.5,121 4,128 1,131 1,136 3,139 1,143 3,144 1,145 2,160 1,174 4,177 3,180 1,182 4,185 16,189 1,197 8,201 5,206 3,209 13,214 1,219 1,222 5,227 3,232 1,235 15,245 1,247 5,252 1,257 3,260 12,271 2,274 652,275 13.826,276 13.826,277 13.826,278 13.826,279 13.826,280 12.476,281 14.501,282 8.052,283 14.451,284 11.376,285 11.376,286 11.376,287 11.376,288 11.376,289 9.271,290 18.036,291 3.883,292 12.505,293 3.808,294 1.961,295 1.328,296 0.834,297 0.834,298 0.834,299 3.799,303 2,307 1,308 423,309 3.391,313 155.418,320 1.322,321 14.309,324 0.75,325 0.83,326 1,327 1,328 1,329 1,330 1,331 0.94,332 45.667,333 208,334 4.416,335 4.613,336 6.787,337 4.231,338 3.269,339 3.919,340 3.655,341 11.25,342 3.149,343 4.244,344 3.559,345 6.06,346 3.792,347 2.855,348 3.677,349 0.735,350 8.71,351 2.65,352 3.726,353 3.204,354 5.458,355 3.365,356 2.481,357 2.882,358 0.522,359 7.314,360 2.232,361 3.573,362 3.087,363 5.149,364 3.168,365 2.253,366 2.822,368 6.36,369 1.984,370 3.408,371 2.716,372 4.952,373 2.972,374 2.086,375 2.585,377 5.786,378 1.771,379 2.971,380 2.409,381 4.402,382 2.677,383 1.764,384 2.017,386 4.432,387 1.586,388 2.868,389 1.833,390 4.173,391 2.37,392 1.465,393 1.942,395 3.762,396 1.245,397 2.422,398 1.066,399 3.411,400 1.727,401 0.762,402 1.149,404 1.792,405 0.713,406 1.332,407 0.869,408 3.034,409 0.883,415 1.173,416 0.388,417 2.862,418 0.738,419 -0.146,420 -0.16,422 -0.419,423 -0.123,424 0.8,425 0.256,426 2.554,427 0.621,428 -0.283,429 -0.323,431 -0.855,432 -0.26,433 0.79,434 0.152,435 2.359,436 0.276,437 -0.514,438 -0.621,440 -1.242,441 -0.293,442 0.547,443 0.025,444 2.151,445 0.191,446 -0.723,447 -0.862,449 -2,450 -0.632,451 0.145,452 -0.313,453 2,455 -1,456 -1,458 -2.126,459 -0.925,461 -0.849,462 1.858,464 -1,465 -1,467 -3,468 -1,469 11.562,470 0.526,471 0.837,472 0.038,473 23.5,474 1.068,475 10.5,476 0.477,477 13,478 0.591,479 23.789,480 1.081,481 23.838,482 0.568,483 14.022,484 0.637,485 4.01,486 0.182,487 6.239,488 0.284,489 0.297,490 0.043,491 0.259,496 0.662,497 1.169,498 0.615,499 0.837,500 0.815,501 0.898,502 0.575,503 1.163,504 0.654,505 0.889,506 0.418,507 0.807,508 1.252,509 1.213,510 1.272,511 1.284,512 1.152,513 1.157,514 0.764,515 0.922,516 0.678,517 0.74,518 0.671,519 0.773,520 1.509,521 1.056,522 1.317,523 1.26,524 1.292,525 1.11,526 0.546,527 1.044,528 0.667,529 0.917,530 0.523,531 1.007,532 0.646,533 1.18,534 0.751,535 1.03,536 0.89,537 1.195,538 0.376,539 0.689,540 0.477,541 0.606,542 0.398,543 0.614,544 7.5,545 0.058,546 2.222,547 2.063,548 1.378,549 0.799,550 0.407,551 0.415,552 0.197,553 0.227,554 4559,555 13811,556 1.908,557 47.6,559 7,562 1,564 12,567 1.645,568 1.725,569 3.181,570 -0.31,575 66.552,576 1.585,577 3.431,578 4.064,579 4.559,580 4.559,581 4.559,582 2.588,583 3.88,584 4.433,585 3.357,586 775.505,587 7.614,588 8679.56,593 226.477,594 1.753,595 4.338,596 0.326,597 0.005,598 0.067,599 0.069,600 0.049,601 0.035,602 0.016,603 0.021,604 0.01,605 0.017,606 0.616,607 0.5,608 0.88,609 1.119,610 101.692,611 -0.023,612 -0.038,613 0.024,614 0.034,615 -0.176,616 0.019,617 0.188,618 -0.071,619 0.155,620 0.085,621 0.318,622 0.145,623 -0.226,624 -0.099,625 -0.235,626 -0.211,627 -0.22,628 -0.2,629 0.158,630 0.037,631 0.227,632 0.208,633 0.255,634 0.202,635 -0.42,636 0.173,637 -0.354,638 -0.19,639 -0.36,640 -0.196,641 0.087,642 -0.066,643 0.008,644 -0.056,645 0.184,646 -0.054,647 -0.016,648 -0.244,649 -0.05,650 -0.163,651 -0.168,652 -0.234,653 0.368,654 0.187,655 0.405,656 0.377,657 0.395,658 0.402,659 1.373,660 2.082,661 0.545,662 17.058,663 0.994,664 1.118,665 4.688,666 21.98,667 0.714,668 3.178,669 3.526,670 3.611,671 3.871,672 3.989,673 4.043,674 3.85,675 4.007,676 3.912,677 4.06,678 5.665,679 0.646,680 355.36,681 3.178,682 4.727,683 5.525,684 6.412,685 7.228,686 8.116,687 8.939,688 9.829,689 10.655,690 11.546,691 4.8,693 1,700 1,709 3,714 3,716 6,737 2,738 42,739 9,740 1,741 23,743 43,744 17,745 6,746 3,747 3,748 5,752 2,753 2,754 2,759 4,764 1,766 1,768 11,769 6,770 1,772 3,780 3,781 1,782 2,789 20,790 2,791 1,792 5,793 3,797 2,803 1,823 2,845 4,849 1,855 2,856 1,857 1,859 4,860 2,862 22,871 1,873 1,874 1,876 1,885 2,893 12.75,894 8.736,895 4.694,896 2.512,898 2.271,899 1.353,900 0.923,901 5.781,902 8.697,903 3.401,904 3.961,905 4.398,906 4.912,907 5.357,908 5.549,909 5.681,910 6.054,911 6.323,912 6.683,913 1,914 30,915 8.088,917 3.278,918 7.612,919 15.639,921 12.482,924 2.112,925 46.472,929 223.651,930 138.014,931 34.796,932 78.297,935 32.22,936 105.795,937 301.948,938 34.796,939 35.301,941 74.868,942 2.757,943 26.972,944 0.693,945 255.87,946 78.297,947 223.651,948 140.591,950 110.517,952 82.398,953 141.253,956 70.097,957 39.309,958 109.483,959 32.22,960 223.651,961 34.796,962 216.312,965 223.651,966 45.856,967 92.158,968 18.011,969 95.083,970 223.651,971 34.796,972 216.312,973 0.593,974 0.299,975 0.159,976 0.085,977 15,978 8,979 0.093,980 4,982 1,983 3.317,984 161.318,986 12,987 92.107,989 1,993 17.611,994 7.221,995 5.448,997 34.796,998 5.478,1003 2.202,1005 18.011,1006 474.759,1007 29,1015 6.059,1016 4.654,1017 1.877,1020 41.763,1021 46.957,1022 0.294,1023 0.636,1024 0.754,1025 0.845,1026 0.845,1027 0.845,1028 4.668,1029 0.762,1030 5.58,1031 3.762,1032 4.205,1033 4.644,1034 3.346,1035 6.392,1036 4.032,1037 5.909,1039 7.149,1040 1.792,1041 4.111,1042 4.559,1043 1.998,1044 7.535,1045 3.85,1046 7.232,1047 -0.146,1048 8.82,1050 5.872,1051 6.764,1052 5.79,1053 10.455,1054 5.586,1055 8.582,1056 -0.283,1057 10.549,1058 -0.419,1059 6.463,1060 7.341,1061 4.966,1062 12.352,1063 6.119,1064 9.954,1065 -0.514,1066 12.316,1067 -0.855,1068 7.828,1069 9.13,1070 8.333,1071 14.903,1072 7.466,1073 11.344,1074 -0.723,1075 14.109,1076 -1.242,1077 8.726,1078 10.04,1079 7.844,1080 17.11,1081 8.324,1082 12.747,1083 -1,1084 15.923,1085 -2,1086 9.951,1087 11.631,1088 10.884,1089 19.555,1090 9.53,1091 3.269,1092 -1,1093 17.753,1094 -2.126,1095 10.993,1096 12.73,1097 10.641,1098 21.887,1099 10.539,1100 2.855,1101 11.25,1102 19.597,1103 -3,1104 12.17,1105 14.214,1106 13.438,1107 24.305,1108 11.695,1109 2.481,1110 8.71,1111 21.451,1112 3.919,1113 13.279,1114 15.42,1115 13.389,1116 26.687,1117 12.773,1118 2.253,1119 7.314,1120 23.315,1121 3.677,1122 14.444,1123 16.846,1124 15.994,1125 29.1,1126 13.912,1127 2.086,1128 6.36,1129 25.186,1130 2.882,1131 15.585,1132 18.113,1133 16.104,1134 31.502,1135 15.023,1136 1.764,1137 5.786,1138 27.063,1139 2.822,1140 16.75,1141 19.506,1142 18.552,1143 33.916,1144 16.159,1145 1.465,1146 4.432,1147 28.946,1148 2.585,1149 17.907,1150 20.808,1151 18.795,1152 36.328,1153 17.285,1154 4695,1155 8348,1156 14.216,1157 29.989,1158 35.226,1159 37.477,1160 35.197,1161 34.133,1162 33.873,1163 41.986,1164 9.824,1165 98.811,1166 30.661,1167 5.307,1168 6.613,1169 6.147,1170 5.321,1171 5.269,1172 6.919,1173 7.134,1174 18.045,1175 5.149,1176 14.315,1177 1.532,1178 1.629,1179 1.53,1180 1.484,1181 1.473,1182 1.825,1183 0.427,1184 4.296,1185 1.333,1186 3.968,1187 3.997,1188 4.104,1189 3.917,1190 5.029,1191 3.907,1192 3.845,1193 3.879,1194 3.993,1195 3.758,1196 4.814,1197 3.746,1198 3.587,1199 3.65,1200 3.66,1201 3.524,1202 4.631,1203 3.457,1204 3.398,1205 3.453,1206 3.586,1207 3.295,1208 4.277,1209 3.281,1210 3.126,1211 3.194,1212 3.309,1213 2.977,1214 4.181,1215 2.958,1216 2.881,1217 3.009,1218 3.083,1219 2.809,1220 4.065,1221 2.776,1222 2.874,1223 3.009,1224 2.973,1225 2.752,1226 3.925,1227 2.719,1228 2.874,1229 2.922,1230 2.601,1231 2.618,1232 3.5,1233 2.57,1234 0.192,1235 0.201,1236 0.295,1237 0.184,1238 0.142,1239 4.416,1240 0.17,1241 4.613,1242 0.159,1243 6.787,1244 0.489,1245 4.231,1246 0.137,1247 3.269,1248 3.919,1249 3.655,1250 11.25,1251 3.149,1252 1.927,1253 1.909,1254 2.012,1255 2.016,1256 1.185,1257 2.024,1258 1.813,1259 1.775,1260 1.931,1261 1.924,1262 1.1,1263 1.94,1264 1.606,1265 1.55,1266 1.861,1267 1.762,1268 1.08,1269 1.816,1270 1.404,1271 1.353,1272 1.606,1273 1.55,1274 0.681,1275 1.578,1276 1.078,1277 1.018,1278 1.417,1279 1.288,1280 0.469,1281 1.308,1282 0.934,1283 0.824,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.258,1291 1.239,1292 0.326,1293 1.302,1294 0.868,1295 0.804,1296 1.098,1297 1.019,1298 0.169,1299 1.062,1300 3.85,1302 5.187,1304 6.688,1306 8.275,1308 9.907,1310 8.573,1311 12.111,1317 3.43,1319 1.729,1320 0.482,1322 -0.123,1326 27.153,1327 66.552,1328 144.107,1329 170.703,1330 191.458,1331 191.458,1332 191.458,1333 38.989,1334 6.426,1335 24.39,1336 49.69,1337 12,1338 12.088,1339 3.322,1340 2.807,1341 42.249,1342 74,1343 72,1344 0.281,1345 182.874,1346 322.13,1347 437.973,1348 4480,1349 4.8,1350 16.328,1351 0.742,1352 0.704,1353 17.682,1354 15.481,1355 10.249,1356 0.446,1357 0.382,1358 7.251,1359 8.994,1360 6.707,1361 5.662,1362 11.234,1363 8.781,1364 10.403,1365 0.315,1366 0.255,1367 11.997,1368 8.407,1369 6.709,1370 0.186,1371 0.121,1372 7.882,1373 4.362,1374 5.957,1375 0.127,1376 0.073,1377 7.39,1378 3.433,1379 4.095,1380 0.077,1381 0.037,1382 4.915,1383 1.956,1384 0.438,1385 72.715,1386 0.265,1387 21.725,1388 0.773,1389 112,1390 283.245,1391 174.27,1392 364.973,1393 478.99,1394 338,1395 125,1396 293.196,1397 167.168,1398 336.437,1399 485.01,1400 314,1401 4.41}
{0 CHEMBL1478026,1 1.921,2 10.318,3 1.869,4 3.494,5 79.527,6 10.661,7 0.522,8 3.6,9 3.671,10 3.444,11 3.167,12 4.935,13 3.186,14 4.056,15 4.146,16 3.823,17 3.507,18 5.491,19 3.513,20 4.289,21 4.41,22 4.05,23 3.6,24 5.783,25 3.582,26 4.212,27 4.347,28 3.704,29 3.386,30 5.641,31 3.374,32 4.016,33 4.122,34 3.612,35 3.208,36 5.675,37 3.221,38 3.971,39 4.102,40 3.555,41 3.116,42 5.639,43 3.127,44 3.829,45 3.988,46 3.312,47 2.991,48 5.236,49 3,50 3.688,51 3.818,52 3.337,53 2.968,54 5.24,55 2.976,56 0.218,57 0.427,58 2.1,59 2.477,60 18.572,61 2.317,62 0.474,63 0.627,64 5.134,65 4.161,66 38.952,67 3.811,68 0.756,69 0.714,70 15.592,71 5.644,72 80.364,73 5.041,74 0.754,75 0.601,76 17.344,77 5.658,78 91.996,79 4.941,80 0.698,81 0.499,82 12.569,83 4.372,84 91.133,85 3.799,86 0.695,87 0.48,88 13.194,89 4.45,90 89.369,91 4.353,92 0.509,93 0.448,94 11.857,95 3.619,96 55.734,97 3.313,98 0.469,99 0.389,100 7.562,101 3.038,102 63.27,103 2.568,104 26,105 31,106 0.356,107 0.688,108 0.802,109 0.869,110 0.869,111 0.869,112 3.145,113 0.89,114 -1.68,115 -1.75,116 -1.77,120 43.8,126 1,143 5,144 1,145 3,146 2,159 2,167 1,174 4,176 1,177 4,180 1,182 1,185 3,188 1,189 7,192 1,194 2,197 4,201 2,206 2,209 2,213 3,214 4,217 1,219 1,226 2,227 6,232 2,240 3,247 1,251 1,252 2,255 1,260 4,263 1,264 2,267 1,271 6,274 628,275 14.345,276 14.345,277 14.345,278 14.345,279 14.345,280 12.36,281 11.67,282 8.448,283 14.771,284 11.278,285 11.278,286 11.278,287 11.278,288 11.278,289 8.324,290 10.632,291 3.991,292 12.054,293 3.079,294 1.289,295 0.675,296 0.313,297 0.313,298 0.313,299 3.802,303 2,305 1,306 1,307 1,308 468,309 3.391,313 166.923,320 1.591,321 36.205,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49.667,333 227,334 4.328,335 3.715,336 6.347,337 3.874,338 2.966,339 3.986,340 2.061,341 9.465,342 2.771,343 4.221,344 3.57,345 6.027,346 3.799,347 2.815,348 3.971,349 1.622,350 8.576,351 2.658,352 3.847,353 3.362,354 5.226,355 3.329,356 2.369,357 3.323,358 0.313,359 6.436,360 2.241,361 3.642,362 3.134,363 5.022,364 3.2,365 2.246,366 2.864,368 6.01,369 2.126,370 3.193,371 2.399,372 4.764,373 2.746,374 1.825,375 2.403,377 5.08,378 1.602,379 2.888,380 2.032,381 4.116,382 2.362,383 1.414,384 2.029,386 3.611,387 1.322,388 2.866,389 1.828,390 3.866,391 2.353,392 1.388,393 1.939,395 3.18,396 1.282,397 2.5,398 1.708,399 3.414,400 1.984,401 1,402 1.5,404 2.275,405 0.983,406 1.75,407 1.176,408 3.102,409 1.417,410 0.521,411 0.591,413 1.211,414 0.437,415 1.519,416 1,417 2.63,418 1.048,419 0.243,420 0.287,422 0.526,423 0.159,424 1.423,425 0.609,426 2.359,427 0.752,428 -0.235,429 -0.314,431 -0.526,432 -0.197,433 1.104,434 0.474,435 2.169,436 0.611,437 -0.29,438 -0.441,440 -0.637,441 -0.277,442 0.602,443 0.17,444 2,445 0.115,446 -0.838,447 -1.041,449 -2.049,450 -0.61,451 0.5,452 -0.143,453 1.839,454 0.029,455 -1,456 -1.38,458 -2.458,459 -0.946,460 0.435,461 -0.595,462 1.579,463 -0.049,464 -1,465 -1.5,467 -3,468 -1.007,469 10.562,470 0.48,471 0.617,472 0.028,473 30.75,474 1.398,475 16.5,476 0.75,477 14.25,478 0.648,479 14.185,480 0.645,481 23.638,482 0.739,483 22.188,484 1.009,485 6.378,486 0.29,487 4.091,488 0.186,489 0.23,491 0.322,496 0.634,497 1.218,498 0.494,499 0.824,500 0.558,501 0.775,502 0.789,503 1.197,504 0.647,505 0.871,506 0.625,507 0.895,508 0.994,509 1.016,510 0.848,511 0.911,512 1.032,513 0.979,514 1.446,515 1.038,516 1.24,517 1.1,518 1.365,519 1.092,520 1.148,521 0.903,522 1.131,523 1.09,524 1.182,525 1.085,526 0.86,527 1.067,528 0.891,529 1.148,530 0.852,531 1.056,532 1.19,533 0.94,534 0.969,535 0.942,536 1.151,537 0.909,538 1.153,539 0.55,540 0.752,541 0.589,542 1.505,543 0.688,544 5,545 0.091,546 3.111,547 1.438,548 1.156,549 0.604,550 0.324,551 0.227,552 0.23,553 0.116,554 5079,555 23054,556 1.944,557 31.3,559 7,561 2,562 1,567 1.639,568 1.784,569 3.343,570 -0.175,572 1,574 1,575 61.478,576 1.921,577 3.711,578 4.325,579 4.688,580 4.688,581 4.688,582 2.754,583 3.88,584 4.436,585 3.503,586 809.261,587 7.588,588 9310.42,589 1,590 1,592 1,593 160,594 1.529,595 4.365,596 0.217,597 0.007,598 0.1,599 0.046,600 0.048,601 0.027,602 0.016,603 0.013,604 0.014,605 0.007,606 0.497,607 0.33,608 1,609 0.688,610 103.352,611 -0.004,612 -0.072,613 0.002,614 -0.014,615 -0.045,616 -0.006,617 0.003,618 -0.125,619 -0.003,620 -0.007,621 0.02,622 -0.062,623 -0.039,624 -0.017,625 0.093,626 0.038,627 -0.086,628 -0.046,629 -0.337,630 -0.141,631 -0.189,632 -0.094,633 -0.264,634 -0.086,635 0.021,636 0.033,637 -0.163,638 -0.122,639 0.026,640 -0.162,641 0.241,642 -0.176,643 0.072,644 -0.157,645 0.245,646 -0.035,647 -0.185,648 0.042,649 -0.042,650 0.014,651 -0.147,652 0.1,653 -0.099,654 0.449,655 0.074,656 0.35,657 -0.215,658 0.253,659 2.382,660 4.722,661 0.545,662 16.826,663 1.049,664 1.119,665 0.451,666 0.203,667 0.73,668 3.178,669 3.466,670 3.638,671 3.738,672 3.892,673 3.761,674 3.584,675 3.555,676 3.584,677 3.497,678 6.181,679 0.725,680 341.16,681 3.178,682 4.691,683 5.501,684 6.34,685 7.166,686 8.005,687 8.835,688 9.675,689 10.506,690 11.345,691 6.3,698 1,702 1,709 7,714 4,716 12,726 1,737 2,738 32,739 15,740 1,741 23,743 33,744 14,745 11,746 3,747 3,748 1,752 2,753 2,754 2,768 13,769 1,772 3,778 3,782 2,785 1,786 1,789 10,790 5,791 1,792 8,793 2,797 2,803 1,804 4,816 1,823 2,838 1,855 2,860 2,862 22,869 1,871 1,872 1,885 2,886 12.5,889 2,891 1,892 1,893 12.333,894 5.736,895 4.917,896 1.662,898 2.149,899 1.343,900 0.944,901 5.602,902 8.422,903 3.497,904 4.078,905 4.538,906 4.963,907 5.456,908 5.47,909 5.211,910 5.188,911 5.325,912 5.312,913 0.857,914 31,915 8.087,917 3.424,918 8.351,919 14.408,921 11.07,924 2.851,925 62.722,929 105.94,930 94.908,931 21.183,932 78.297,933 86.663,936 94.908,937 270.9,938 21.183,939 3.172,940 22.603,941 47.381,942 85.728,943 42.038,945 82.398,946 103.671,947 105.94,948 116.091,949 86.663,950 78.297,952 105.94,953 61.29,954 25.373,956 40.698,957 72.221,958 81.469,960 105.94,961 107.846,962 173.205,965 105.94,966 29.432,967 68.648,968 18.011,969 164.96,970 105.94,971 107.846,972 173.205,973 0.582,974 0.331,975 0.154,976 0.084,977 13,978 7,979 0.152,980 5,982 1,983 3.431,984 155.528,986 12,987 94.107,993 16.551,994 7.446,995 4.589,997 104.674,998 9.667,1003 0.988,1005 18.011,1006 386.991,1007 32,1013 34.245,1017 -1.278,1020 33.578,1021 35.798,1022 0.384,1023 0.742,1024 0.865,1025 0.938,1026 0.938,1027 0.938,1028 4.7,1029 1,1030 5.485,1031 3.18,1032 4.143,1033 4.762,1034 2.626,1035 6.229,1036 4.015,1037 5.915,1038 0.521,1039 7.02,1040 2.275,1041 3.761,1042 4.663,1043 1.593,1044 7.029,1045 3.535,1046 7.219,1047 0.243,1048 8.653,1049 1.211,1050 5.687,1051 6.952,1052 3.709,1053 10.05,1054 5.448,1055 8.556,1056 -0.235,1057 10.339,1058 0.526,1059 6.066,1060 7.6,1061 3.201,1062 11.635,1063 5.715,1064 9.918,1065 -0.29,1066 12.06,1067 -0.526,1068 7.494,1069 9.407,1070 4.928,1071 14.186,1072 7.136,1073 11.297,1074 -0.838,1075 13.805,1076 -0.637,1077 8.223,1078 10.396,1079 4.75,1080 16.107,1081 7.757,1082 12.69,1083 -1,1084 15.568,1085 -2.049,1086 9.446,1087 11.998,1088 6.216,1089 18.478,1090 8.96,1091 2.966,1092 -1,1093 17.344,1094 -2.458,1095 10.345,1096 13.161,1097 6.268,1098 20.558,1099 9.761,1100 2.815,1101 9.465,1102 19.13,1103 -3,1104 11.479,1105 14.661,1106 7.549,1107 22.851,1108 10.859,1109 2.369,1110 8.576,1111 20.926,1112 3.986,1113 12.463,1114 15.918,1115 7.767,1116 25.007,1117 11.755,1118 2.246,1119 6.436,1120 22.728,1121 3.971,1122 13.558,1123 17.363,1124 8.913,1125 27.266,1126 12.803,1127 1.825,1128 6.01,1129 24.536,1130 3.323,1131 14.584,1132 18.673,1133 9.254,1134 29.459,1135 13.749,1136 1.414,1137 5.08,1138 26.349,1139 2.864,1140 15.663,1141 20.089,1142 10.299,1143 31.704,1144 14.773,1145 1.388,1146 3.611,1147 28.165,1148 2.403,1149 16.712,1150 21.429,1151 10.732,1152 33.917,1153 15.746,1154 5120,1155 11026,1156 14.622,1157 23.352,1158 33.744,1159 36.515,1160 35.247,1161 33.613,1162 33.575,1163 45.784,1164 7.992,1165 92.738,1166 31.161,1167 5.246,1168 5.715,1169 5.884,1170 4.939,1171 4.966,1172 6.986,1173 3.862,1174 16.192,1175 4.771,1176 13.048,1177 1.467,1178 1.588,1179 1.532,1180 1.461,1181 1.46,1182 1.991,1183 0.347,1184 4.032,1185 1.355,1186 4.017,1187 4.053,1188 4.122,1189 3.87,1190 7.472,1191 3.876,1192 3.917,1193 3.938,1194 3.971,1195 3.831,1196 7.436,1197 3.842,1198 3.581,1199 3.594,1200 3.567,1201 3.315,1202 7.425,1203 3.359,1204 3.305,1205 3.311,1206 3.405,1207 2.997,1208 5.041,1209 3.067,1210 2.924,1211 2.981,1212 3.309,1213 2.838,1214 4.604,1215 2.806,1216 2.899,1217 2.925,1218 3.196,1219 2.761,1220 4.494,1221 2.757,1222 2.854,1223 2.917,1224 2.734,1225 2.735,1226 4.347,1227 2.715,1228 2.702,1229 2.701,1230 2.687,1231 2.335,1232 4.278,1233 2.418,1234 0.188,1235 0.162,1236 0.276,1237 0.168,1238 0.129,1239 4.328,1240 0.173,1241 3.715,1242 0.09,1243 6.347,1244 0.412,1245 3.874,1246 0.12,1247 2.966,1248 3.986,1249 2.061,1250 9.465,1251 2.771,1252 1.914,1253 1.883,1254 2.007,1255 2.122,1256 1.06,1257 2.083,1258 1.876,1259 1.858,1260 1.937,1261 1.966,1262 1.038,1263 1.968,1264 1.441,1265 1.417,1266 1.614,1267 1.723,1268 0.739,1269 1.684,1270 1.108,1271 1.094,1272 1.19,1273 1.434,1274 0.218,1275 1.356,1276 0.886,1277 0.827,1278 1.181,1279 1.117,1280 0.198,1281 1.118,1282 0.868,1283 0.821,1284 1.092,1285 1.062,1286 0.099,1287 1.107,1288 0.847,1289 0.815,1290 0.94,1291 0.947,1292 0.078,1293 0.988,1294 0.489,1295 0.477,1296 0.684,1297 0.863,1299 0.802,1300 3.85,1302 5.142,1304 6.619,1306 8.176,1308 9.773,1311 11.746,1315 -0.492,1317 2.48,1318 4.834,1326 23.191,1327 61.478,1328 118.739,1329 138.39,1330 150,1331 150,1332 150,1333 54.965,1334 6.273,1335 80.86,1336 80.86,1337 12,1338 11.912,1339 4,1340 3.322,1341 42.528,1342 83,1343 76,1344 0.251,1345 153.097,1346 270.7,1347 365.316,1348 3937,1349 6.3,1350 16.113,1351 0.732,1352 0.573,1353 17.113,1354 12.597,1355 10.469,1356 0.455,1357 0.297,1358 6.016,1359 9.414,1360 5.86,1361 4.831,1362 11.047,1363 6.826,1364 9.443,1365 0.305,1366 0.16,1367 10.147,1368 4.958,1369 7.561,1370 0.204,1371 0.092,1372 8.571,1373 3.417,1374 5.298,1375 0.129,1376 0.046,1377 5.77,1378 1.898,1379 4.158,1380 0.087,1381 0.024,1382 4.539,1383 1.163,1384 0.403,1385 72.912,1386 0.262,1387 22.137,1388 0.663,1389 108,1390 455.327,1391 153.027,1392 486.675,1393 613.15,1394 446,1395 122,1396 381.797,1397 164.971,1398 398.99,1399 575.36,1400 372,1401 4.639}
{0 CHEMBL1478237,1 1.595,2 8.789,3 3.602,4 12.977,5 70.962,6 8.575,7 0.55,8 3.514,9 3.592,10 3.186,11 3.079,12 4.84,13 3.086,14 3.957,15 4.062,16 3.51,17 3.4,18 5.427,19 3.402,20 4.129,21 4.265,22 3.465,23 3.414,24 5.575,25 3.385,26 4.121,27 4.31,28 3.274,29 3.308,30 5.42,31 3.265,32 3.917,33 4.104,34 3.071,35 3.12,36 5.186,37 3.066,38 3.836,39 4.012,40 3.144,41 2.983,42 5.513,43 2.984,44 3.672,45 3.824,46 2.98,47 2.89,48 5.042,49 2.9,50 3.622,51 3.767,52 2.807,53 2.804,54 4.934,55 2.788,56 0.145,57 0.385,58 4.346,59 2.687,60 7.209,61 2.919,62 0.271,63 0.572,64 8.032,65 4.361,66 43.975,67 4.851,68 0.508,69 0.66,70 11.158,71 5.036,72 44.25,73 5.732,74 0.351,75 0.643,76 13.003,77 5.198,78 55.474,79 6.167,80 0.301,81 0.528,82 10.364,83 4.234,84 40.159,85 5.099,86 0.406,87 0.469,88 9.982,89 3.697,90 80.257,91 4.437,92 0.26,93 0.401,94 7.862,95 3.044,96 33.48,97 3.191,98 0.271,99 0.381,100 7.318,101 2.852,102 46.821,103 2.859,104 18,105 27,106 0.299,107 0.618,108 0.767,109 0.877,110 0.877,111 0.877,112 3.008,113 0.839,114 -3.88,115 -3.84,116 -3.64,120 46.7,121 1,136 2,143 6,144 2,153 1,154 1,158 1,167 2,174 10,176 2,177 4,185 11,188 3,189 6,197 10,201 5,209 7,213 1,214 4,222 4,226 2,227 7,235 3,240 7,247 4,252 6,260 4,264 6,271 2,274 428,275 12.43,276 12.43,277 12.43,278 12.43,279 12.43,280 10.559,281 8.67,282 7.356,283 12.456,284 9.845,285 9.845,286 9.845,287 9.845,288 9.845,289 6.989,290 7.031,291 3.49,292 9.859,293 3.312,294 1.609,295 0.809,296 0.225,297 0.225,298 0.225,299 3.661,305 1,306 1,307 1,308 344,309 3.162,312 57.737,313 69.39,320 1.402,321 25.854,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42.5,333 167,334 4.363,335 3.785,336 6.164,337 3.94,338 2.939,339 4.065,340 2.612,341 9.069,342 2.945,343 4.083,344 3.483,345 5.759,346 3.658,347 2.66,348 3.694,350 7.631,351 2.654,352 3.936,353 2.725,354 5.498,355 3.481,356 2.483,357 3.401,359 7.381,360 2.467,361 3.401,362 2.32,363 4.754,364 2.987,365 1.988,366 2.698,368 5.325,369 1.986,370 3.161,371 2.112,372 4.245,373 2.58,374 1.563,375 2.362,377 3.906,378 1.584,379 2.705,380 1.427,381 3.572,382 2.206,383 1.205,384 1.774,386 2.63,387 1.206,388 2.535,389 1.251,390 3.476,391 1.932,392 0.93,393 1.44,395 2.317,396 0.932,397 2.215,398 1,399 3.253,400 1.658,401 0.658,402 0.999,404 1.603,405 0.658,406 2.119,407 0.84,408 2.944,409 1.425,410 0.381,411 0.635,413 0.89,414 0.395,415 1,416 0.699,417 2.23,418 0.604,419 -0.398,420 -0.506,422 -0.88,423 -0.399,424 0.96,425 -0.13,426 2,427 0.374,428 -0.648,429 -0.848,431 -1.687,432 -0.658,433 0.743,434 -0.307,435 1.78,437 -1,438 -1.51,440 -2,441 -1,442 0.364,443 -0.746,444 1.667,445 -0.077,446 -1.121,447 -1.671,449 -2.918,450 -1.129,451 0.15,452 -0.957,453 1.406,454 -0.202,455 -1.199,456 -1.832,458 -3.338,459 -1.219,460 0.024,461 -1.198,462 1.236,463 -0.359,464 -1.353,465 -1.916,467 -3.474,468 -1.356,469 8.733,470 0.46,471 0.527,472 0.028,473 27.5,474 1.447,475 16,476 0.842,477 11.5,478 0.605,479 10.197,480 0.537,481 20.067,482 0.669,483 18.924,484 0.996,485 5.782,486 0.304,487 3.276,488 0.172,489 0.172,491 0.332,496 0.44,497 0.951,498 0.623,499 0.947,500 0.515,501 0.875,502 0.548,503 1.041,504 0.685,505 1.076,506 0.45,507 0.965,508 0.624,509 1.095,510 0.976,511 1.126,512 0.597,513 1.155,514 0.917,515 0.988,516 0.961,517 1.035,518 1.003,519 1.019,520 0.807,521 1.024,522 0.985,523 1.077,524 0.916,525 1.093,526 0.761,527 0.892,528 0.739,529 0.897,530 0.732,531 0.83,532 1.284,533 0.915,534 1.003,535 0.898,536 1.069,537 0.869,538 1.424,539 1.115,540 1.313,541 1.056,542 1.415,543 1.135,544 4.5,545 0.07,546 2.222,547 1,548 1.002,549 0.504,550 0.205,551 0.175,552 0.146,553 0.095,554 3311,555 11921,556 1.965,557 36.7,558 3,559 8,567 1.597,568 1.81,569 3.163,570 -0.724,572 1,574 1,575 47.85,576 1.595,577 3.298,578 4.098,579 4.682,580 4.682,581 4.682,582 2.55,583 4.037,584 4.222,585 3.306,586 565.316,587 7.162,588 5751.22,589 1,590 1,592 1,593 147.207,594 1.509,595 4.159,596 0.225,597 0.012,598 0.082,599 0.042,600 0.05,601 0.031,602 0.012,603 0.012,604 0.012,605 0.009,606 0.488,607 0.5,608 1,609 0.92,610 83.963,611 0.181,612 0.125,613 0.051,614 0.038,615 -0.025,616 -0.002,617 0.193,618 -0.047,619 0.1,620 -0.08,621 0.187,622 -0.037,623 0.258,624 -0.127,625 -0.08,626 -0.149,627 0.127,628 -0.204,629 -0.074,630 -0.061,631 0.043,632 -0.044,633 -0.079,634 0.019,635 0.007,636 -0.087,637 0.004,638 -0.088,639 -0.07,640 -0.06,641 0.259,642 0.041,643 0.305,644 0.077,645 0.39,646 0.18,647 -0.225,648 0.041,649 -0.024,650 0.068,651 -0.116,652 0.085,653 -0.321,654 -0.164,655 -0.343,656 -0.102,657 -0.319,658 -0.205,659 2.68,660 4.736,661 0.579,662 13.507,663 1.028,664 1.114,665 2.651,666 7.025,667 0.688,668 3.045,669 3.332,670 3.497,671 3.638,672 3.714,673 3.689,674 3.466,675 3.434,676 3.555,677 3.526,678 5.447,679 0.684,680 257.26,681 3.045,682 4.554,683 5.361,684 6.205,685 7.031,686 7.875,687 8.707,688 9.552,689 10.387,690 11.232,691 3.3,702 1,709 6,712 1,714 4,716 11,721 1,731 1,738 30,739 15,740 1,741 20,743 31,744 14,745 10,746 2,747 4,748 3,752 2,753 2,759 1,768 13,769 1,772 4,775 1,778 3,780 2,782 1,786 1,788 1,789 11,790 4,792 5,797 1,803 1,804 4,822 1,823 1,845 2,855 2,859 1,862 19,886 13.3,889 1,891 1,892 2,893 10.5,894 5.783,895 4.222,896 1.665,898 2.693,899 1.445,900 0.942,901 3.808,902 8.742,903 3.418,904 4.003,905 4.512,906 4.988,907 5.363,908 5.592,909 5.61,910 5.777,911 6.229,912 6.491,913 0.833,914 24,915 6.974,917 2.935,918 8.281,919 12.612,921 9.733,924 2.781,925 52.833,929 129.482,930 106.609,931 5.67,933 85.399,936 106.609,937 214.881,938 5.67,939 14.495,941 75.81,942 30.278,943 20.898,944 5.449,945 129.482,946 50.747,947 129.482,948 112.279,949 85.399,952 129.482,953 34.652,954 50.747,956 13.845,957 73.811,958 24.623,960 129.482,961 91.069,962 106.609,965 129.482,966 21.973,967 90.305,969 85.399,970 129.482,971 91.069,972 106.609,973 0.581,974 0.322,975 0.155,976 0.08,977 12,978 6,979 0.129,980 4,982 1,983 3.171,984 127.327,986 11,987 76.711,993 13.09,994 5.527,995 3.317,997 85.399,998 10.08,1001 4.819,1003 1.487,1006 327.16,1007 29.5,1010 -0.68,1013 32.608,1015 2.973,1017 -0.408,1020 30.829,1021 33.412,1022 0.325,1023 0.672,1024 0.835,1025 0.954,1026 0.954,1027 0.954,1028 4.613,1029 0.658,1030 5.342,1031 2.317,1032 4.007,1033 4.687,1034 2.501,1035 6.08,1036 4.007,1037 5.835,1038 0.381,1039 6.868,1040 1.603,1041 3.611,1042 4.511,1043 2.361,1044 6.849,1045 3.611,1046 7.136,1047 -0.398,1048 8.488,1049 0.89,1050 5.541,1051 6.872,1052 4.154,1053 9.849,1054 5.537,1055 8.472,1056 -0.648,1057 10.161,1058 -0.88,1059 5.916,1060 7.494,1061 4.506,1062 11.397,1063 5.915,1064 9.835,1065 -1,1066 11.865,1067 -1.687,1068 7.338,1069 9.309,1070 5.948,1071 13.897,1072 7.332,1073 11.216,1074 -1.121,1075 13.592,1076 -2,1077 8.055,1078 10.294,1079 6.556,1080 15.773,1081 8.054,1082 12.611,1083 -1.199,1084 15.333,1085 -2.918,1086 9.269,1087 11.881,1088 7.794,1089 18.084,1090 9.265,1091 2.939,1092 -1.353,1093 17.086,1094 -3.338,1095 10.152,1096 13.049,1097 8.548,1098 20.116,1099 10.153,1100 2.66,1101 9.069,1102 18.847,1103 -3.474,1104 11.274,1105 14.529,1106 9.67,1107 22.351,1108 11.273,1109 2.483,1110 7.631,1111 20.614,1112 4.065,1113 12.241,1114 15.794,1115 10.509,1116 24.46,1117 12.244,1118 1.988,1119 7.381,1120 22.387,1121 3.694,1122 13.323,1123 17.223,1124 11.563,1125 26.666,1126 13.327,1127 1.563,1128 5.325,1129 24.164,1130 3.401,1131 14.334,1132 18.541,1133 12.452,1134 28.816,1135 14.341,1136 1.205,1137 3.906,1138 25.945,1139 2.698,1140 15.4,1141 19.947,1142 13.468,1143 31.011,1144 15.409,1145 0.93,1146 2.63,1147 27.729,1148 2.362,1149 16.434,1150 21.294,1151 14.386,1152 33.183,1153 16.446,1154 3373,1155 6584,1156 12.83,1157 20.631,1158 30.485,1159 31.803,1160 30.728,1161 29.643,1162 29.613,1163 42.137,1164 5.225,1165 81.505,1166 29.652,1167 5.08,1168 5.785,1169 5.725,1170 4.94,1171 4.939,1172 7.065,1173 4.612,1174 15.281,1175 4.945,1176 10.619,1177 1.524,1178 1.59,1179 1.536,1180 1.482,1181 1.481,1182 2.107,1183 0.261,1184 4.075,1185 1.483,1186 4.02,1187 4.028,1188 3.994,1189 3.908,1190 7.815,1191 3.908,1192 3.921,1193 3.944,1194 3.862,1195 3.768,1196 7.428,1197 3.799,1198 3.564,1199 3.579,1200 3.533,1201 3.361,1202 6.999,1203 3.377,1204 3.324,1205 3.358,1206 3.249,1207 3.015,1208 4.975,1209 3.052,1210 3.133,1211 3.208,1212 2.952,1213 2.902,1214 4.763,1215 2.943,1216 2.867,1217 2.896,1218 2.768,1219 2.676,1220 4.163,1221 2.701,1222 2.543,1223 2.627,1224 2.338,1225 2.329,1226 3.859,1227 2.32,1228 2.433,1229 2.514,1230 2.176,1231 2.235,1232 3.62,1233 2.214,1234 0.218,1235 0.189,1236 0.308,1237 0.197,1238 0.147,1239 4.363,1240 0.203,1241 3.785,1242 0.131,1243 6.164,1244 0.453,1245 3.94,1246 0.147,1247 2.939,1248 4.065,1249 2.612,1250 9.069,1251 2.945,1252 1.943,1253 1.918,1254 2.06,1255 2.016,1256 1.16,1257 2.032,1258 1.615,1259 1.599,1260 1.737,1261 1.957,1262 0.789,1263 1.827,1264 1.536,1265 1.52,1266 1.632,1267 1.756,1268 0.669,1269 1.742,1270 1.277,1271 1.237,1272 1.517,1273 1.462,1274 0.528,1275 1.492,1276 1.134,1277 1.066,1278 1.347,1279 1.342,1280 0.279,1281 1.37,1282 0.819,1283 0.789,1284 1.048,1285 1.169,1286 0.081,1287 1.102,1288 0.631,1289 0.596,1290 0.915,1291 0.929,1293 0.934,1294 0.515,1295 0.425,1296 0.789,1297 0.775,1299 0.814,1300 3.714,1302 5.004,1303 2.398,1304 6.463,1305 4.595,1306 7.995,1307 6.605,1308 9.562,1310 1.953,1326 20.515,1327 47.85,1328 98.942,1329 122.942,1330 140.452,1331 140.452,1332 140.452,1333 37.654,1334 6.05,1335 76.03,1336 76.03,1337 11,1338 11.796,1339 4,1340 3.392,1341 33.882,1342 62,1343 49,1344 0.27,1345 129.637,1346 229.28,1347 308.073,1348 2817,1350 13.828,1351 0.728,1352 0.537,1353 13.828,1354 10.199,1355 9.059,1356 0.453,1357 0.28,1358 5.508,1359 8.631,1360 5.361,1361 4.496,1362 9.059,1363 5.594,1364 8.27,1365 0.306,1366 0.148,1367 8.27,1368 4.007,1369 6.337,1370 0.198,1371 0.078,1372 6.337,1373 2.484,1374 4.731,1375 0.128,1376 0.043,1377 4.731,1378 1.586,1379 3.349,1380 0.084,1381 0.022,1382 3.349,1383 0.898,1384 0.427,1385 57.644,1386 0.279,1387 19.331,1388 0.725,1389 94,1390 372.587,1391 106.598,1392 351.946,1393 458.2,1394 322,1395 106,1396 330.274,1397 118.795,1398 326.394,1399 466.14,1400 304,1401 5.465}
{0 CHEMBL1478765,1 1.479,2 11.8,3 3.508,4 12.304,5 94.69,6 7.668,7 0.444,8 3.878,9 3.973,10 3.464,11 3.436,12 5.032,13 3.426,14 4.388,15 4.527,16 3.793,17 3.781,18 5.576,19 3.753,20 4.618,21 4.798,22 3.85,23 3.858,24 5.747,25 3.821,26 4.613,27 4.798,28 3.768,29 3.749,30 5.939,31 3.707,32 4.461,33 4.655,34 3.653,35 3.677,36 5.626,37 3.633,38 4.454,39 4.629,40 3.61,41 3.62,42 5.743,43 3.587,44 4.346,45 4.525,46 3.488,47 3.563,48 5.544,49 3.512,50 4.299,51 4.481,52 3.383,53 3.477,54 5.514,55 3.414,56 0.04,57 0.566,58 8.27,59 4.211,60 7.251,61 5.008,62 0.282,63 0.902,64 15.784,65 6.848,66 29.296,67 8.424,68 0.264,69 1.089,70 21.786,71 8.603,72 35.915,73 10.723,74 0.755,75 1.058,76 23.062,77 7.874,78 89.948,79 9.844,80 0.227,81 0.937,82 18.877,83 7.26,84 36.159,85 9.224,86 0.451,87 0.888,88 19.327,89 6.874,90 60.458,91 8.179,92 0.255,93 0.815,94 16.772,95 6.463,96 42.06,97 7.887,98 0.44,99 0.747,100 16.7,101 6.184,102 52.865,103 7.506,104 13,105 36,106 0.256,107 0.61,108 0.781,109 0.86,110 0.871,111 0.871,112 3.266,113 0.911,114 -4.55,115 -4.47,116 -4.21,120 45.5,121 1,122 1,126 2,136 1,137 1,143 8,144 2,145 2,159 2,174 11,176 1,177 8,180 1,182 2,185 11,189 6,194 3,197 7,200 3,201 6,204 2,206 3,209 5,214 5,219 2,222 6,226 1,227 9,232 2,235 7,240 6,247 8,251 1,252 5,255 1,260 9,264 3,271 8,274 954,275 17.077,276 17.077,277 17.077,278 17.077,279 17.077,280 15.211,281 18.558,282 10.436,283 17.337,284 13.315,285 13.315,286 13.315,287 13.315,288 13.315,289 10.356,290 22.543,291 4.958,292 13.709,293 3.981,294 1.933,295 0.943,296 0.489,297 0.426,298 0.426,299 3.951,305 1,306 1,307 1,308 625,309 3.317,313 221.941,317 114.721,320 2.192,321 29.014,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.5,333 295,334 4.457,335 3.809,336 6.495,337 4.083,338 3.101,339 4.052,340 1.674,341 10.138,342 3.041,343 4.083,344 3.384,345 6.059,346 3.702,347 2.718,348 3.544,349 1.081,350 8.705,351 2.666,352 3.892,353 3.017,354 5.348,355 3.502,356 2.509,357 3.437,358 0.86,359 6.98,360 2.494,361 3.539,362 2.72,363 5.249,364 3.177,365 2.239,366 2.826,367 0.473,368 6.627,369 2.088,370 3.328,371 2.633,372 4.91,373 2.926,374 1.938,375 2.472,377 5.411,378 1.89,379 2.981,380 1.903,381 4.448,382 2.56,383 1.594,384 2.123,386 4.312,387 1.533,388 2.888,389 1.667,390 3.696,391 2.439,392 1.442,393 2.011,395 3.123,396 1.43,397 2.529,398 1.646,399 3.553,400 2.372,401 1.407,402 1.5,404 2.667,405 1.348,406 2.5,407 1.354,408 3.451,409 2,410 1,411 1.495,413 2.291,414 1,415 2.42,416 1.055,417 3.247,418 1.895,419 0.91,420 1.277,422 2.136,423 0.888,424 1.763,425 1,426 2.994,427 1.462,428 0.487,429 0.577,431 1.076,432 0.469,433 1.516,434 0.758,435 2.706,436 1.232,437 0.289,438 0.329,440 0.515,441 0.269,442 1.249,443 0.606,444 2.6,445 0.861,446 -0.145,447 -0.195,449 -0.33,450 -0.143,451 0.848,452 0.065,453 2.442,454 0.546,455 -0.402,456 -0.48,458 -1.006,459 -0.377,460 0.788,461 -0.111,462 2.164,463 0.404,464 -0.606,465 -0.786,467 -1.332,468 -0.607,469 11.733,470 0.469,471 0.503,472 0.02,473 33,474 1.32,475 17.5,476 0.7,477 15.5,478 0.62,479 17.606,480 0.704,481 26.667,482 0.606,483 24.552,484 0.982,485 6.711,486 0.268,487 5.458,488 0.218,489 0.099,491 0.298,496 0.728,497 1.149,498 0.745,499 1.067,500 0.571,501 0.933,502 0.777,503 1.061,504 0.85,505 1.039,506 0.556,507 0.971,508 1.071,509 1.131,510 0.88,511 1.056,512 0.84,513 0.954,514 1.106,515 0.924,516 1.028,517 0.889,518 1.133,519 0.931,520 1.02,521 1.103,522 0.882,523 1.043,524 1.09,525 0.95,526 1.462,527 0.959,528 1.096,529 0.931,530 1.625,531 0.937,532 1.255,533 1.051,534 1.075,535 1.064,536 1.442,537 1.037,538 1.276,539 0.864,540 1.118,541 0.926,542 1.371,543 0.987,544 4.5,545 0.07,546 2.444,547 1.25,548 1.449,549 0.806,550 0.507,551 0.358,552 0.242,553 0.108,554 7443,555 19962,556 2.062,557 43.2,558 3,559 13,562 1,564 2,567 1.677,568 1.948,569 3.509,570 -0.356,572 1,574 1,575 65.066,576 1.479,577 3.526,578 4.516,579 4.971,580 5.033,581 5.033,582 3.113,583 4.214,584 4.606,585 3.658,586 1097.47,587 7.955,588 13539.8,590 1,592 1,593 240.215,594 1.323,595 4.583,596 0.167,597 0.005,598 0.068,599 0.034,600 0.045,601 0.027,602 0.018,603 0.014,604 0.011,605 0.006,606 0.395,607 0.17,608 1,609 1.11,610 122.2,611 -0.032,612 -0.055,613 0.042,614 -0.038,615 -0.049,616 0.01,617 0.121,618 -0.014,619 0.035,620 -0.042,621 0.095,622 -0.025,623 -0.06,624 -0.149,625 0.082,626 -0.074,627 -0.004,628 0.012,629 0.207,630 0.078,631 -0.001,632 0.049,633 0.159,634 -0.009,635 -0.049,636 -0.111,637 0.089,638 -0.07,639 -0.004,640 0.02,641 -0.114,642 0.017,643 -0.078,644 0.023,645 -0.09,646 -0.011,647 -0.152,648 -0.071,649 -0.101,650 -0.09,651 -0.137,652 -0.083,653 -0.013,654 0.081,655 -0.107,656 0.048,657 -0.072,658 -0.035,659 2.328,660 5.295,661 0.64,662 27.165,663 1.008,664 1.115,665 3.318,666 11.006,667 0.674,668 3.332,669 3.611,670 3.85,671 4.078,672 4.331,673 4.357,674 4.454,675 4.585,676 4.625,677 4.522,678 6.66,679 0.65,680 337.4,681 3.332,682 4.844,683 5.673,684 6.529,685 7.381,686 8.246,687 9.108,688 9.979,689 10.847,690 11.723,691 2.3,698 1,709 8,714 4,716 12,735 1,738 44,739 15,740 2,741 27,743 46,744 20,745 12,746 4,747 8,748 4,752 3,753 4,759 1,766 1,768 16,769 4,772 3,778 2,780 1,782 3,785 1,786 1,789 19,790 5,791 1,792 5,797 1,803 0.667,804 4,823 3,827 1,838 1,841 1,845 1,846 1,855 2,859 1,862 25,869 3,871 1,872 2,886 9.1,889 2,891 2,893 12.833,894 8.167,895 5.667,896 2.764,898 2.568,899 1.362,900 0.968,901 5.514,902 9.662,903 3.611,904 4.143,905 4.673,906 5.17,907 5.709,908 5.877,909 6.166,910 6.551,911 6.746,912 6.646,913 1,914 37,915 9.275,917 3.92,918 7.887,919 17.4,921 13.829,924 2.387,925 59.667,928 1,929 211.88,930 135.284,931 18.011,933 72.29,936 135.284,937 284.169,938 18.011,939 8.825,940 27.243,941 85.286,942 62.186,943 42.043,945 211.88,947 211.88,948 153.294,949 72.29,952 188.338,953 95.832,956 36.069,957 107.75,958 9.476,960 211.88,961 90.3,962 135.284,965 211.88,966 41.172,967 94.111,968 18.011,969 72.29,970 211.88,971 90.3,972 135.284,973 0.565,974 0.325,975 0.173,976 0.1,977 16,978 7,979 0.13,980 6,981 1,982 1.125,983 3.786,984 196.7,985 0.125,986 16,987 112.096,993 17.245,994 7.994,995 4.283,997 90.3,998 14.733,1003 2.67,1005 18.011,1006 437.464,1007 36,1013 24.438,1015 1.547,1017 -1.123,1020 44.363,1021 49.073,1022 0.271,1023 0.646,1024 0.827,1025 0.91,1026 0.922,1027 0.922,1028 4.82,1029 1.407,1030 5.631,1031 3.123,1032 4.29,1033 4.828,1034 2.386,1035 6.395,1036 4.238,1037 6.003,1038 1,1039 7.159,1040 2.667,1041 3.761,1042 4.511,1044 7.195,1045 3.71,1046 7.29,1047 0.91,1048 8.787,1049 2.291,1050 5.832,1051 6.94,1052 3.027,1053 10.287,1054 5.733,1055 8.613,1056 0.487,1057 10.477,1058 2.136,1059 6.133,1060 7.426,1062 11.92,1063 6.039,1064 9.967,1065 0.289,1066 12.205,1067 1.076,1068 7.65,1069 9.323,1070 3.894,1071 14.515,1072 7.517,1073 11.344,1074 -0.145,1075 13.961,1076 0.515,1077 8.356,1078 10.198,1080 16.507,1081 8.222,1082 12.74,1083 -0.402,1084 15.736,1085 -0.33,1086 9.635,1087 11.853,1088 4.859,1089 18.92,1090 9.471,1091 3.101,1092 -0.606,1093 17.526,1094 -1.006,1095 10.545,1096 12.939,1098 21.077,1099 10.372,1100 2.718,1101 10.138,1102 19.328,1103 -1.332,1104 11.721,1105 14.469,1106 5.864,1107 23.42,1108 11.524,1109 2.509,1110 8.705,1111 21.139,1112 4.052,1113 12.734,1114 15.677,1116 25.655,1117 12.523,1118 2.239,1119 6.98,1120 22.958,1121 3.544,1122 13.868,1123 17.139,1124 6.885,1125 27.972,1126 13.636,1127 1.938,1128 6.627,1129 24.783,1130 3.437,1131 14.933,1132 18.419,1134 30.244,1135 14.683,1136 1.594,1137 5.411,1138 26.613,1139 2.826,1140 16.053,1141 19.845,1142 7.912,1143 32.553,1144 15.783,1145 1.442,1146 4.312,1147 28.449,1148 2.472,1149 17.145,1150 21.169,1152 34.843,1153 16.856,1154 7274,1155 12085,1156 18.087,1157 29.676,1158 39.795,1159 41.744,1160 40.312,1161 39.233,1162 39.268,1163 51.284,1164 8.176,1165 107.96,1166 38.231,1167 5.39,1168 5.809,1169 6.358,1170 5.176,1171 5.101,1172 7.052,1173 3.349,1174 16.932,1175 5.041,1176 11.029,1177 1.474,1178 1.546,1179 1.493,1180 1.453,1181 1.454,1182 1.899,1183 0.303,1184 3.999,1185 1.416,1186 4.008,1187 4.019,1188 3.971,1189 3.917,1190 7.447,1191 3.926,1192 3.903,1193 3.933,1194 3.831,1195 3.841,1196 7.415,1197 3.835,1198 3.658,1199 3.693,1200 3.596,1201 3.493,1202 4.897,1203 3.512,1204 3.546,1205 3.599,1206 3.385,1207 3.394,1208 4.754,1209 3.381,1210 3.295,1211 3.344,1212 3.199,1213 3.09,1214 4.496,1215 3.099,1216 3.007,1217 3.045,1218 2.919,1219 2.796,1220 4.105,1221 2.814,1222 2.969,1223 2.998,1224 2.842,1225 2.741,1226 4.074,1227 2.767,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.938,1233 2.715,1234 0.165,1235 0.141,1236 0.241,1237 0.151,1238 0.115,1239 4.457,1240 0.15,1241 3.809,1242 0.062,1243 6.495,1244 0.375,1245 4.083,1246 0.113,1247 3.101,1248 4.052,1249 1.674,1250 10.138,1251 3.041,1252 1.943,1253 1.933,1254 2.044,1255 2.053,1256 1.161,1257 2.042,1258 1.905,1259 1.877,1260 2.011,1261 1.994,1262 1.146,1263 2.006,1264 1.615,1265 1.57,1266 1.893,1267 1.821,1268 1.098,1269 1.842,1270 1.517,1271 1.477,1272 1.645,1273 1.702,1274 0.726,1275 1.689,1276 1.239,1277 1.179,1278 1.467,1279 1.472,1280 0.598,1281 1.465,1282 0.945,1283 0.896,1284 1.324,1285 1.236,1286 0.453,1287 1.264,1288 0.887,1289 0.849,1290 1.181,1291 1.147,1292 0.218,1293 1.122,1294 0.886,1295 0.821,1296 1.132,1297 1.062,1298 0.179,1299 1.107,1300 4.007,1302 5.293,1304 6.783,1306 8.371,1308 10.012,1310 2.015,1315 1.833,1317 2.736,1318 10.817,1326 28.622,1327 65.066,1328 155.156,1329 198.705,1330 218.705,1331 221.46,1332 221.46,1333 48.25,1334 7.093,1335 68.54,1336 68.54,1337 18,1338 12.264,1339 4,1340 3.322,1341 41.947,1342 98,1343 113,1344 0.209,1345 176.87,1346 318.08,1347 423.322,1348 11139,1350 17.648,1351 0.706,1352 0.558,1353 17.648,1354 13.95,1355 12.169,1356 0.451,1357 0.304,1358 8.09,1359 11.715,1360 7.907,1361 6.602,1362 12.169,1363 8.2,1364 10.513,1365 0.292,1366 0.157,1367 10.513,1368 5.664,1369 8.681,1370 0.189,1371 0.081,1372 8.681,1373 3.721,1374 6.994,1375 0.121,1376 0.042,1377 6.994,1378 2.433,1379 5.83,1380 0.078,1381 0.022,1382 5.83,1383 1.683,1384 0.332,1385 76.348,1386 0.235,1387 24.673,1388 0.563,1389 126,1390 415.275,1391 140.01,1392 391.498,1393 527.51,1394 366,1395 145,1396 380.69,1397 158.46,1398 381.233,1399 558.07,1400 359,1401 4.377}
{0 CHEMBL1479204,1 1.168,2 6.294,3 3.989,4 15.915,5 69.339,6 7.596,7 0.895,8 3.464,9 3.554,10 3.062,11 3.17,12 4.625,13 3.127,14 3.898,15 4.011,16 3.388,17 3.546,18 5.018,19 3.481,20 4.168,21 4.341,22 3.416,23 3.656,24 5.191,25 3.561,26 4.144,27 4.339,28 3.321,29 3.573,30 5.144,31 3.466,32 4.093,33 4.279,34 3.259,35 3.483,36 5.2,37 3.385,38 4.048,39 4.257,40 2.95,41 3.296,42 5.144,43 3.162,44 3.81,45 4.091,46 2.272,47 2.877,48 4.704,49 2.661,50 3.189,51 3.534,52 1.138,53 2.092,54 3.807,55 1.778,56 0.029,57 0.298,58 5.289,59 2.571,60 6.111,61 3.264,62 0.026,63 0.475,64 8.392,65 4.143,66 6.889,67 5.448,68 0.075,69 0.668,70 12.675,71 5.821,72 13.778,73 7.649,74 0.055,75 0.667,76 12.728,77 5.857,78 10.223,79 7.904,80 0.07,81 0.629,82 12.161,83 5.466,84 16.667,85 7.14,86 0.111,87 0.616,88 12.446,89 5.311,90 25.778,91 6.707,92 0.094,93 0.523,94 10.929,95 4.569,96 21.556,97 6.088,98 0.047,99 0.297,100 6.344,101 2.632,102 10.778,103 3.708,104 2,105 26,106 0.22,107 0.395,108 0.567,109 0.775,110 0.851,111 0.864,112 2.911,113 0.887,114 -5.24,115 -5.13,116 -4.8,120 55.2,143 11,144 4,145 1,174 16,182 2,185 22,194 2,197 21,206 3,209 16,219 4,222 14,232 3,235 10,245 1,247 5,260 1,274 297,275 11.776,276 11.776,277 11.776,278 11.776,279 11.776,280 9.776,281 2.157,282 7.16,283 11.816,284 9.426,285 9.426,286 9.426,287 9.426,288 9.426,289 6.526,290 1.163,291 3.431,292 9.501,293 3.69,294 2.762,295 1.85,296 0.745,297 0.345,298 0.276,299 3.592,306 1,307 1,308 233,309 1.581,313 112.274,317 60.165,320 0.9,321 8.035,324 1,325 1,326 1,327 0.5,329 1,330 1,331 0.79,332 35,333 107,334 4.59,335 3.173,336 6.708,337 4.151,338 3.153,339 4.521,341 10.92,342 3.145,343 3.939,344 2.538,345 5.767,346 3.509,347 2.51,348 3.536,350 7.826,351 2.506,352 3.56,353 2.38,354 5.016,355 3.115,356 2.157,357 2.982,359 5.946,360 2.058,361 3.293,362 1.809,363 4.685,364 2.807,365 1.807,366 2.674,368 4.842,369 1.806,370 2.889,371 1.423,372 3.783,373 2.397,374 1.401,375 2.078,377 3.107,378 1.393,379 2.783,380 1.307,381 3.607,382 2.305,383 1.306,384 1.914,386 2.925,387 1.305,388 2.5,389 1,390 3.394,391 2,392 1,393 1.5,395 2.136,396 1,397 2.272,398 0.813,399 3.247,400 1.783,401 0.788,402 1.163,404 2.004,405 0.783,406 1.239,407 0.044,408 2.728,409 0.801,410 -0.17,411 -0.23,413 -0.421,414 -0.163,415 0.951,416 -0.422,417 2.382,418 0.494,419 -0.49,420 -0.666,422 -1.267,423 -0.479,424 0.703,425 -0.701,426 2.107,427 0.248,428 -0.744,429 -1.06,431 -1.768,432 -0.735,433 0.5,434 -0.879,435 2,437 -1,438 -1.383,440 -2.347,441 -0.958,442 0.447,443 -1,444 1.555,445 -0.029,446 -1,447 -1.5,449 -2.429,450 -1,451 0.223,452 -1.098,453 1.32,454 -0.178,455 -1.141,456 -1.648,458 -2.931,459 -1.115,460 -0.268,461 -1.64,462 1.16,463 -0.714,464 -1.691,465 -2.345,467 -4.789,468 -1.659,469 8.333,470 0.49,471 0.329,472 0.019,473 26.25,474 1.544,475 16.5,476 0.971,477 9.75,478 0.574,479 8.702,480 0.512,481 16.267,482 0.561,483 15.85,484 0.932,485 5.336,486 0.314,487 3.008,488 0.177,489 0.04,491 0.3,496 0.925,497 0.756,498 0.786,499 0.755,500 0.992,501 0.759,502 0.584,503 0.996,504 0.891,505 0.994,506 0.579,507 0.971,508 0.923,509 0.961,510 0.981,511 0.964,512 0.955,513 0.975,514 0.652,515 1.037,516 0.92,517 1.033,518 0.671,519 1.003,520 1.107,521 1.107,522 1.013,523 1.095,524 1.026,525 1.054,526 1.753,527 1.165,528 1.278,529 1.162,530 1.7,531 1.18,532 1.342,533 1.018,534 1.171,535 1.028,536 1.356,537 1.077,538 0.728,539 0.858,540 0.965,541 0.874,542 0.796,543 0.929,544 2.5,546 1.556,547 1.063,548 0.978,549 0.368,550 0.18,551 0.076,554 2239,555 5453,556 2.163,557 41.4,559 11,562 1,567 1.577,568 2.082,569 2.699,570 -0.429,572 1,575 33.862,576 1.168,577 2.096,578 3.008,579 4.113,580 4.513,581 4.582,582 2.095,583 3.735,584 4.063,585 2.748,586 373.668,587 6.902,588 3312.83,590 1,592 1,593 140.881,594 1.166,595 4.043,596 0.132,598 0.06,599 0.041,600 0.043,601 0.018,602 0.013,603 0.013,606 0.318,607 0.83,608 1,609 0.481,610 68.283,611 -0.095,612 0.125,613 0.013,614 0.117,615 -0.168,616 0.08,617 -0.003,618 -0.112,619 -0.083,620 -0.112,621 0.016,622 -0.105,623 -0.066,624 -0.022,625 -0.068,626 -0.026,627 -0.102,628 -0.044,629 0.06,630 -0.086,631 0.017,632 -0.077,633 0.056,634 -0.04,635 0.013,636 -0.152,637 -0.054,638 -0.145,639 0.081,640 -0.111,641 -0.172,642 -0.18,643 -0.254,644 -0.189,645 -0.161,646 -0.222,647 -0.113,648 0.022,649 -0.065,650 0.015,651 -0.127,652 -0.016,653 0.025,654 0.232,655 0.212,656 0.235,657 0.005,658 0.238,659 1.359,660 3.772,661 0.941,662 8.554,663 0.987,664 1.093,665 4.011,666 16.085,667 0.725,668 2.996,669 3.296,670 3.584,671 3.892,672 4.159,673 4.111,674 4.174,675 4.19,676 4.143,677 3.85,678 3.941,679 0.685,680 220.28,681 2.996,682 4.511,683 5.361,684 6.24,685 7.114,686 8.001,687 8.883,688 9.773,689 10.658,690 11.548,708 2,709 11,714 3,716 17,734 1,738 29,739 17,740 3,741 19,743 31,744 16,745 16,746 5,747 11,752 3,753 4,768 16,786 1,789 12,790 1,791 1,792 1,803 0.667,804 1,823 3,827 1,855 2,862 17,868 1,886 3.4,888 1,893 8.167,894 5.117,895 3.75,896 1.682,898 3.408,899 1.531,900 1.011,901 2.391,902 9.832,903 3.35,904 4.007,905 4.67,906 5.343,907 5.985,908 6.249,909 6.692,910 7.097,911 7.444,912 7.456,913 1,914 26,915 6.248,917 2.653,918 7.637,919 12.059,921 9.998,924 2.137,925 36.333,926 0.003,929 129.482,930 115.756,933 42.683,936 115.756,937 172.165,941 104.239,942 42.683,943 11.517,945 129.482,947 129.482,948 115.756,949 42.683,952 129.482,953 42.683,957 115.756,960 129.482,961 42.683,962 115.756,965 129.482,966 11.517,967 104.239,969 42.683,970 129.482,971 42.683,972 115.756,973 0.57,974 0.335,975 0.201,976 0.119,977 14,978 5,979 0.032,980 1,981 1,982 1.125,983 2.957,984 123.869,985 0.125,986 16,987 65.487,993 10.064,994 4.04,995 1.813,996 2.225,997 42.683,998 21.833,1003 2.503,1005 42.683,1006 287.921,1007 27.5,1020 28.629,1021 31.701,1022 0.24,1023 0.431,1024 0.619,1025 0.847,1026 0.929,1027 0.943,1028 4.535,1029 0.788,1030 5.323,1031 2.136,1032 3.97,1033 4.691,1035 6.129,1036 3.955,1037 5.754,1038 -0.17,1039 6.866,1040 2.004,1041 3.434,1042 4.407,1044 7.018,1045 3.395,1046 7.059,1047 -0.49,1048 8.517,1049 -0.421,1050 5.533,1051 6.981,1053 10.177,1054 5.509,1055 8.406,1056 -0.744,1057 10.237,1058 -1.267,1059 5.861,1060 7.58,1062 11.959,1063 5.822,1064 9.789,1065 -1,1066 12.002,1067 -1.768,1068 7.408,1069 9.573,1071 14.619,1072 7.38,1073 11.198,1074 -1,1075 13.798,1076 -2.347,1077 8.165,1078 10.626,1080 16.761,1081 8.13,1082 12.629,1083 -1.141,1084 15.618,1085 -2.429,1086 9.47,1087 12.35,1089 19.249,1090 9.44,1091 3.153,1092 -1.691,1093 17.454,1094 -2.931,1095 10.437,1096 13.637,1098 21.537,1099 10.403,1100 2.51,1101 10.92,1102 19.304,1103 -4.789,1104 11.641,1105 15.237,1107 23.963,1108 11.609,1109 2.157,1110 7.826,1111 21.163,1112 4.521,1113 12.705,1114 16.641,1116 26.311,1117 12.671,1118 1.807,1119 5.946,1120 23.03,1121 3.536,1122 13.87,1123 18.186,1125 28.714,1126 13.835,1127 1.401,1128 4.842,1129 24.904,1130 2.982,1131 14.979,1132 19.645,1134 31.086,1135 14.942,1136 1.306,1137 3.107,1138 26.782,1139 2.674,1140 16.13,1141 21.167,1143 33.482,1144 16.092,1145 1,1146 2.925,1147 28.665,1148 2.078,1149 17.259,1150 22.652,1152 35.864,1153 17.219,1154 2183,1155 3468,1156 13.118,1157 21.023,1158 28.494,1159 28.162,1160 28.623,1161 28.301,1162 28.245,1163 40.736,1165 79.411,1166 27.994,1167 5.212,1168 5.173,1169 6.51,1170 5.151,1171 5.153,1172 7.521,1174 18.12,1175 5.145,1176 4.637,1177 1.5,1178 1.482,1179 1.506,1180 1.49,1181 1.487,1182 2.144,1184 4.18,1185 1.473,1186 4.113,1187 4.129,1188 4.073,1189 4.079,1190 6.471,1191 4.075,1192 3.83,1193 3.861,1194 3.757,1195 3.778,1196 4.883,1197 3.769,1198 3.466,1199 3.496,1200 3.381,1201 3.37,1202 4.695,1203 3.367,1204 3.075,1205 3.113,1206 2.986,1207 2.998,1208 4.161,1209 2.989,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 3.831,1215 2.715,1216 2.78,1217 2.828,1218 2.656,1219 2.641,1220 3.674,1221 2.632,1222 2.694,1223 2.746,1224 2.562,1225 2.574,1226 3.496,1227 2.568,1228 2.409,1229 2.492,1230 2.199,1231 2.216,1232 3.307,1233 2.199,1234 0.242,1235 0.167,1236 0.353,1237 0.218,1238 0.166,1239 4.59,1240 0.238,1241 3.173,1243 6.708,1244 0.575,1245 4.151,1246 0.166,1247 3.153,1248 4.521,1250 10.92,1251 3.145,1252 2.096,1253 2.082,1254 2.168,1255 2.145,1256 1.321,1257 2.153,1258 1.843,1259 1.815,1260 1.972,1261 1.92,1262 1.034,1263 1.939,1264 1.456,1265 1.425,1266 1.614,1267 1.589,1268 0.66,1269 1.596,1270 1.084,1271 1.048,1272 1.274,1273 1.204,1274 0.373,1275 1.228,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.773,1283 0.719,1284 1.047,1285 0.979,1286 0.119,1287 0.994,1288 0.688,1289 0.645,1290 0.937,1291 0.886,1292 0.02,1293 0.906,1294 0.411,1295 0.332,1296 0.783,1297 0.698,1299 0.735,1300 3.664,1302 4.963,1304 6.488,1306 8.117,1308 9.801,1314 9.772,1326 19.876,1327 33.862,1328 60.774,1329 87.218,1330 119.272,1331 130.881,1332 132.881,1333 18.016,1334 6.423,1335 20.23,1336 20.23,1337 18,1338 12.078,1339 4.17,1340 3.248,1341 23.5,1342 39,1343 38,1344 0.304,1345 122.645,1346 203.25,1347 291.013,1348 4381,1350 11.665,1351 0.686,1352 0.547,1353 11.665,1354 9.298,1355 8.343,1356 0.439,1357 0.296,1358 5.601,1359 8.272,1360 5.461,1361 4.551,1362 8.343,1363 5.616,1364 7.347,1365 0.283,1366 0.157,1367 7.347,1368 4.08,1369 6.153,1370 0.176,1371 0.084,1372 6.153,1373 2.931,1374 5.449,1375 0.114,1376 0.045,1377 5.449,1378 2.151,1379 4.728,1380 0.075,1381 0.024,1382 4.728,1383 1.533,1384 0.444,1385 50.637,1386 0.276,1387 16.645,1388 0.936,1389 90,1390 212.15,1391 92.104,1392 217.523,1393 305.63,1394 204,1395 106,1396 230.03,1397 107.661,1398 239.629,1399 348.22,1400 227,1401 4.397}
{0 CHEMBL1479472,1 1.735,2 11.125,3 3.647,4 13.297,5 95.852,6 8.511,7 0.654,8 3.802,9 3.911,10 3.519,11 3.399,12 5.016,13 3.365,14 4.25,15 4.39,16 3.872,17 3.74,18 5.455,19 3.684,20 4.428,21 4.594,22 3.878,23 3.771,24 5.631,25 3.7,26 4.468,27 4.69,28 3.69,29 3.671,30 5.587,31 3.587,32 4.365,33 4.576,34 3.754,35 3.59,36 5.717,37 3.507,38 4.241,39 4.429,40 3.647,41 3.506,42 5.481,43 3.385,44 4.052,45 4.242,46 3.364,47 3.378,48 5.158,49 3.233,50 3.991,51 4.205,52 3.278,53 3.24,54 5.196,55 3.161,56 0.095,57 0.614,58 7.116,59 3.546,60 10.287,61 3.994,62 0.193,63 0.96,64 15.009,65 5.958,66 17.462,67 7.042,68 0.294,69 1.055,70 17.916,71 6.726,72 34.696,73 7.937,74 0.309,75 1.071,76 21.476,77 7.157,78 38.387,79 8.532,80 0.485,81 0.976,82 18.327,83 6.178,84 64.334,85 7.26,86 0.4,87 0.839,88 20.873,89 6.698,90 48.179,91 6.641,92 0.229,93 0.711,94 17.392,95 5.901,96 34.787,97 6.109,98 0.23,99 0.673,100 16.633,101 5.156,102 25.831,103 6.023,104 10,105 35,106 0.305,107 0.665,108 0.771,109 0.859,110 0.871,111 0.871,112 3.227,113 0.958,114 -4.58,115 -4.5,116 -4.24,120 42.5,121 1,126 1,143 8,144 2,145 2,151 1,159 1,162 1,170 1,174 10,176 1,177 3,180 2,182 3,185 10,189 4,193 1,194 8,197 5,201 5,206 5,209 1,213 2,214 5,217 3,219 2,222 3,227 3,230 1,231 1,232 1,235 4,240 3,245 1,247 3,252 6,255 2,257 3,264 6,268 1,269 4,271 1,274 792,275 16.154,276 16.154,277 16.154,278 16.154,279 16.154,280 13.888,281 11.744,282 9.71,283 16.537,284 12.848,285 12.848,286 12.848,287 12.848,288 12.848,289 9.508,290 13.195,291 4.669,292 13.501,293 3.587,294 1.54,295 0.938,296 0.438,297 0.369,298 0.369,299 3.908,305 1,306 1,307 1,308 571,309 3,312 71.884,313 175.614,320 1.792,321 23.532,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 52,333 267,334 4.294,335 4.461,336 6.181,337 3.87,338 2.922,339 3.954,340 3.359,341 9.223,342 2.79,343 4.248,344 3.585,345 6.092,346 3.849,347 2.881,348 3.89,349 1.737,350 8.863,351 2.781,352 3.771,353 3.001,354 5.331,355 3.355,356 2.425,357 3.262,358 0.146,359 6.885,360 2.287,361 3.608,362 2.855,363 5.005,364 3.203,365 2.233,366 2.866,368 6.009,369 2.106,370 3.401,371 2.53,372 4.891,373 3.023,374 2.041,375 2.667,377 5.54,378 1.995,379 3.122,380 2.347,381 4.335,382 2.654,383 1.708,384 2.356,386 4.205,387 1.6,388 2.82,389 1.84,390 4.132,391 2.387,392 1.414,393 1.937,395 3.683,396 1.37,397 2.573,398 1.691,399 3.496,400 2.071,401 1.125,402 1.601,404 2.652,405 1.048,406 2.5,407 1.239,408 3.268,409 2,410 1,411 1.5,413 2.136,414 1,415 2.173,416 1,417 3.247,418 1.635,419 0.688,420 1.015,422 1.685,423 0.648,424 1.726,425 0.695,426 3.126,427 1.37,428 0.509,429 0.596,431 1.229,432 0.427,433 1.512,434 0.68,435 2.672,436 1.142,437 0.209,438 0.254,440 0.455,441 0.191,442 1,443 0.402,444 2.367,445 0.65,446 -0.337,447 -0.412,449 -0.865,450 -0.327,451 0.753,452 0.227,453 2.272,454 0.326,455 -0.653,456 -0.86,458 -1.512,459 -0.627,460 0.519,461 -0.179,462 2.1,463 0.054,464 -0.915,465 -1.106,467 -2.306,468 -0.814,469 11.6,470 0.483,471 0.558,472 0.023,473 34,474 1.417,475 19,476 0.792,477 15,478 0.625,479 16.295,480 0.679,481 25,482 0.625,483 22.931,484 0.955,485 6.735,486 0.281,487 4.879,488 0.203,489 0.101,491 0.302,496 0.833,497 1.016,498 0.734,499 0.816,500 0.758,501 0.806,502 0.561,503 1.218,504 0.96,505 1.197,506 0.58,507 1.005,508 1.027,509 1.264,510 0.927,511 1.149,512 1.154,513 1.127,514 1.187,515 1.118,516 1.025,517 0.984,518 1.017,519 0.97,520 1.014,521 0.814,522 0.919,523 0.802,524 0.936,525 0.87,526 1.594,527 0.893,528 1.499,529 1.165,530 1.787,531 0.97,532 1.336,533 1.115,534 1.647,535 1.337,536 1.537,537 1.109,538 0.707,539 1.195,540 1.322,541 1.296,542 0.597,543 0.93,544 5,545 0.111,546 2.444,547 1.222,548 1.259,549 0.514,550 0.314,551 0.212,552 0.167,553 0.145,554 7131,555 20925,556 2.064,557 40,558 3,559 10,562 3,567 1.663,568 1.946,569 3.452,570 1.039,572 1,574 1,575 69.39,576 1.735,577 3.782,578 4.384,579 4.884,580 4.953,581 4.953,582 2.872,583 3.887,584 4.56,585 3.629,586 1001.53,587 7.833,588 12407.7,589 1,590 1,591 1,592 1,593 212.877,594 1.347,595 4.522,596 0.192,597 0.007,598 0.07,599 0.038,600 0.045,601 0.019,602 0.014,603 0.012,604 0.008,605 0.008,606 0.414,607 0.17,608 1,609 0.566,610 116.778,611 -0.069,612 0.091,613 0.034,614 0.109,615 -0.114,616 0.066,617 0.176,618 -0.136,619 0.02,620 -0.158,621 0.057,622 -0.071,623 -0.02,624 -0.264,625 -0.009,626 -0.191,627 -0.109,628 -0.195,629 -0.158,630 -0.126,631 -0.034,632 -0.038,633 -0.084,634 -0.009,635 0.208,636 0.224,637 0.11,638 0.147,639 0.296,640 0.054,641 -0.16,642 0.129,643 -0.072,644 0.075,645 -0.192,646 0.019,647 -0.245,648 -0.101,649 -0.233,650 -0.064,651 -0.232,652 -0.079,653 0.214,654 -0.177,655 -0.066,656 -0.157,657 0.251,658 0.09,659 1.896,660 5.017,661 0.708,662 21.333,663 1.011,664 1.121,665 3.348,666 11.21,667 0.704,668 3.296,669 3.584,670 3.784,671 3.989,672 4.143,673 4.043,674 4.025,675 4.094,676 4.078,677 4.094,678 6.715,679 0.672,680 340.44,681 3.296,682 4.812,683 5.631,684 6.482,685 7.318,686 8.169,687 9.011,688 9.862,689 10.707,690 11.558,691 10,698 1,699 1,701 2,709 8,710 2,711 1,714 6,716 17,734 1,738 40,739 18,740 2,741 26,743 42,744 17,745 14,746 4,747 8,752 3,753 3,759 1,768 15,769 2,772 1,778 1,782 1,785 1,786 1,789 16,790 5,791 3,792 7,793 1,797 4,803 1,804 2,822 1,823 2,838 1,855 3,856 1,857 1,859 1,862 24,868 1,869 1,871 1,873 1,883 1,886 5,888 1,889 1,893 12.333,894 7.35,895 5.306,896 2.16,898 2.946,899 1.431,900 0.969,901 5.183,902 9.785,903 3.597,904 4.178,905 4.69,906 5.223,907 5.649,908 5.705,909 5.908,910 6.196,911 6.338,912 6.469,913 1,914 32,915 8.83,917 3.704,918 7.875,919 16.547,921 13.127,924 2.375,925 57,928 1,929 153.024,930 134.608,931 68.122,933 67.828,935 32.22,936 102.388,937 220.853,938 68.122,939 8.825,940 18.91,941 75.81,942 108.309,943 25.791,944 0.693,945 185.244,947 153.024,948 170.511,949 67.828,950 32.22,952 153.024,953 67.828,956 47.42,957 89.643,958 33.449,959 32.22,960 153.024,961 135.951,962 134.608,965 153.024,966 49.973,967 84.635,968 34.674,969 101.277,970 153.024,971 135.951,972 134.608,973 0.576,974 0.324,975 0.17,976 0.095,977 16,978 7,979 0.119,980 5,982 1,983 3.753,984 181.91,986 17,987 106.039,989 1,993 16.555,994 7.514,995 4.382,997 119.288,998 14.694,999 8.459,1000 2.858,1003 3.499,1005 77.357,1006 423.583,1007 35.5,1013 12.017,1017 -0.23,1020 40.44,1021 44.823,1022 0.326,1023 0.711,1024 0.824,1025 0.918,1026 0.931,1027 0.931,1028 4.798,1029 1.125,1030 5.595,1031 3.683,1032 4.263,1033 4.864,1034 3.349,1035 6.333,1036 4.17,1037 5.995,1038 1,1039 7.109,1040 2.652,1041 3.761,1042 4.543,1043 1.593,1044 7.066,1045 3.636,1046 7.281,1047 0.688,1048 8.718,1049 2.136,1050 5.79,1051 7.005,1052 5.572,1053 10.117,1054 5.612,1055 8.6,1056 0.509,1057 10.383,1058 1.685,1059 6.089,1060 7.485,1061 3.522,1062 11.672,1063 5.867,1064 9.947,1065 0.209,1066 12.083,1067 1.229,1068 7.575,1069 9.399,1070 7.946,1071 14.213,1072 7.315,1073 11.313,1074 -0.337,1075 13.808,1076 0.455,1077 8.252,1078 10.271,1079 5.91,1080 16.122,1081 7.945,1082 12.695,1083 -0.653,1084 15.551,1085 -0.865,1086 9.505,1087 11.933,1088 10.351,1089 18.469,1090 9.165,1091 2.922,1092 -0.915,1093 17.308,1094 -1.512,1095 10.374,1096 13.018,1097 8.482,1098 20.538,1099 9.985,1100 2.881,1101 9.223,1102 19.075,1103 -2.306,1104 11.521,1105 14.547,1106 12.763,1107 22.804,1108 11.1,1109 2.425,1110 8.863,1111 20.851,1112 3.954,1113 12.486,1114 15.753,1115 11.074,1116 24.947,1117 12.017,1118 2.233,1119 6.885,1120 22.634,1121 3.89,1122 13.585,1123 17.21,1124 15.176,1125 27.18,1126 13.083,1127 2.041,1128 6.009,1129 24.422,1130 3.262,1131 14.599,1132 18.485,1133 13.65,1134 29.357,1135 14.051,1136 1.708,1137 5.54,1138 26.215,1139 2.866,1140 15.677,1141 19.902,1142 17.59,1143 31.575,1144 15.094,1145 1.414,1146 4.205,1147 28.011,1148 2.667,1149 16.716,1150 21.215,1151 16.206,1152 33.768,1153 16.088,1154 6867,1155 11917,1156 17.394,1157 28.148,1158 38.727,1159 41.401,1160 38.975,1161 38.226,1162 38.309,1163 51.794,1164 10.487,1165 105.128,1166 36.487,1167 5.195,1168 6.461,1169 5.983,1170 5.018,1171 4.922,1172 6.954,1173 6.685,1174 15.491,1175 4.79,1176 10.784,1177 1.489,1178 1.592,1179 1.499,1180 1.47,1181 1.473,1182 1.992,1183 0.403,1184 4.043,1185 1.403,1186 3.991,1187 4.035,1188 4.058,1189 3.891,1190 7.429,1191 3.891,1192 3.929,1193 3.958,1194 3.877,1195 3.848,1196 6.469,1197 3.85,1198 3.697,1199 3.751,1200 3.784,1201 3.566,1202 5.1,1203 3.541,1204 3.504,1205 3.543,1206 3.484,1207 3.285,1208 4.692,1209 3.31,1210 3.194,1211 3.256,1212 3.137,1213 3.026,1214 4.64,1215 3.013,1216 2.922,1217 2.988,1218 2.994,1219 2.817,1220 3.979,1221 2.784,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.731,1227 2.715,1228 2.789,1229 2.844,1230 2.686,1231 2.669,1232 3.719,1233 2.664,1234 0.165,1235 0.172,1236 0.238,1237 0.149,1238 0.112,1239 4.294,1240 0.152,1241 4.461,1242 0.129,1243 6.181,1244 0.355,1245 3.87,1246 0.107,1247 2.922,1248 3.954,1249 3.359,1250 9.223,1251 2.79,1252 1.907,1253 1.883,1254 2.019,1255 2.013,1256 1.127,1257 2.014,1258 1.903,1259 1.875,1260 2.017,1261 1.992,1262 1.086,1263 2.001,1264 1.486,1265 1.463,1266 1.603,1267 1.681,1268 0.846,1269 1.681,1270 1.264,1271 1.194,1272 1.49,1273 1.588,1274 0.578,1275 1.54,1276 1.207,1277 1.145,1278 1.396,1279 1.428,1280 0.4,1281 1.456,1282 1.095,1283 1.038,1284 1.181,1285 1.346,1286 0.233,1287 1.314,1288 0.886,1289 0.821,1290 1.171,1291 1.08,1292 0.218,1293 1.107,1294 0.865,1295 0.797,1296 1.092,1297 1.062,1298 0.036,1299 1.107,1300 3.97,1302 5.263,1303 2.398,1304 6.732,1305 4.595,1306 8.28,1307 6.581,1308 9.87,1310 1.891,1314 9.747,1315 0.152,1317 2.684,1319 1.226,1326 26.863,1327 69.39,1328 151.267,1329 175.367,1330 195.367,1331 198.122,1332 198.122,1333 40.689,1334 6.838,1335 90.9,1336 116.2,1337 17,1338 12.116,1339 4.248,1340 3.392,1341 39.579,1342 99,1343 82,1344 0.195,1345 171.614,1346 289.21,1347 410.498,1348 8679,1350 16.941,1351 0.706,1352 0.575,1353 17.295,1354 13.801,1355 11.614,1356 0.447,1357 0.319,1358 7.312,1359 10.782,1360 7.021,1361 5.87,1362 12.068,1363 8.303,1364 10.411,1365 0.297,1366 0.175,1367 10.988,1368 6.133,1369 8.296,1370 0.193,1371 0.096,1372 9.015,1373 4.118,1374 6.543,1375 0.123,1376 0.051,1377 7.159,1378 2.701,1379 5.264,1380 0.085,1381 0.03,1382 5.953,1383 1.835,1384 0.315,1385 77.106,1386 0.24,1387 23.984,1388 0.509,1389 122,1390 382.702,1391 157.373,1392 395.315,1393 533.68,1394 368,1395 139,1396 376.246,1397 170.326,1398 394.565,1399 569.97,1400 369,1401 4.999}
{0 CHEMBL1480522,1 1.314,2 10.143,3 3.967,4 15.739,5 81.342,6 7.24,7 0.522,8 3.752,9 3.846,10 3.302,11 3.337,12 4.813,13 3.307,14 4.293,15 4.436,16 3.606,17 3.695,18 5.314,19 3.644,20 4.542,21 4.739,22 3.619,23 3.777,24 5.567,25 3.694,26 4.451,27 4.657,28 3.384,29 3.668,30 5.443,31 3.551,32 4.39,33 4.624,34 3.257,35 3.564,36 5.368,37 3.425,38 4.285,39 4.532,40 3.196,41 3.428,42 5.27,43 3.301,44 4.14,45 4.353,46 3.114,47 3.298,48 5.205,49 3.213,50 4.004,51 4.198,52 2.986,53 3.23,54 5.046,55 3.136,56 0.005,57 0.473,58 7.996,59 4.011,60 4.294,61 4.937,62 0.098,63 0.789,64 15.239,65 6.671,66 14.077,67 8.26,68 0.319,69 0.986,70 21.302,71 8.387,72 35.981,73 10.72,74 0.179,75 0.911,76 19.268,77 7.805,78 32.715,79 10.119,80 0.249,81 0.857,82 18.56,83 7.432,84 36.308,85 10.022,86 0.221,87 0.766,88 16.937,89 6.652,90 30.659,91 9.066,92 0.198,93 0.643,94 14.668,95 5.446,96 31.512,97 6.889,98 0.178,99 0.566,100 12.474,101 4.793,102 27.433,103 5.991,104 2,105 30,106 0.235,107 0.537,108 0.695,109 0.814,110 0.836,111 0.845,112 3.102,113 0.952,114 -4.23,115 -4.17,116 -3.94,120 46.2,122 3,126 2,143 8,144 2,145 2,158 1,174 12,177 4,185 13,188 1,189 7,197 12,201 4,209 9,213 1,214 2,222 7,226 1,227 4,235 6,240 4,247 7,252 3,260 7,264 3,271 4,274 577,275 14.552,276 14.552,277 14.552,278 14.552,279 14.552,280 12.985,281 15.274,282 8.94,283 14.789,284 11.382,285 11.382,286 11.382,287 11.382,288 11.382,289 8.968,290 15.15,291 4.274,292 11.749,293 3.971,294 2.288,295 1.404,296 0.737,297 0.615,298 0.564,299 3.79,305 1,306 1,307 1,308 464,309 2.828,313 183.782,317 94.586,320 1.578,321 18.87,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 45,333 213,334 4.333,335 3.608,336 6.25,337 3.949,338 2.975,339 3.975,340 1.277,341 9.416,342 2.923,343 3.913,344 3.219,345 5.897,346 3.585,347 2.6,348 3.445,349 0.86,350 8.142,351 2.541,352 3.876,353 2.715,354 5.339,355 3.503,356 2.505,357 3.236,358 0.86,359 6.964,360 2.483,361 2.977,362 2.198,363 4.452,364 2.657,365 1.666,366 2.127,368 4.446,369 1.647,370 2.923,371 2.056,372 4.2,373 2.531,374 1.618,375 2.063,377 3.931,378 1.474,379 2.878,380 1.688,381 3.656,382 2.472,383 1.493,384 1.959,386 3.17,387 1.454,388 2.5,389 1.648,390 3.6,391 2.28,392 1.327,393 1.5,395 2.938,396 1.248,397 2.457,398 1.269,399 3.247,400 2,401 1,402 1.453,404 2.136,405 1,406 2.166,407 1,408 3.229,409 1.913,410 0.895,411 1.074,413 1.976,414 0.905,415 1.865,416 0.995,417 3.119,418 1.54,419 0.631,420 0.751,422 1.477,423 0.567,424 1.129,425 0.433,426 2.569,427 0.887,428 -0.13,429 -0.152,431 -0.298,432 -0.131,433 0.867,434 0.032,435 2.248,436 0.48,437 -0.48,438 -0.59,440 -1.133,441 -0.45,442 0.686,443 -0.273,444 2,445 0.31,446 -0.618,447 -0.729,449 -1.599,450 -0.565,451 0.567,452 -0.39,453 1.938,454 0.205,455 -0.82,456 -1.056,458 -1.743,459 -0.835,460 0.5,461 -0.871,462 1.592,464 -1,465 -1.374,467 -2.347,468 -1,469 10,470 0.476,471 0.346,472 0.016,473 27.25,474 1.298,475 14.5,476 0.69,477 12.75,478 0.607,479 14.537,480 0.692,481 22.4,482 0.574,483 17.145,484 0.816,485 5.386,486 0.256,487 4.94,488 0.235,489 0.033,491 0.25,496 0.723,497 1.101,498 0.782,499 1.078,500 0.571,501 0.962,502 1.092,503 1.105,504 0.979,505 1.089,506 0.739,507 1.028,508 1.117,509 0.959,510 1.004,511 0.957,512 1.056,513 0.961,514 1.069,515 1.13,516 1.148,517 1.135,518 1.458,519 1.151,520 0.709,521 1.04,522 0.996,523 1.052,524 1.17,525 1.067,526 0.639,527 0.967,528 0.832,529 0.966,530 0.792,531 0.936,532 1.466,533 0.868,534 1.056,535 0.861,536 1.894,537 0.888,538 1.486,539 0.924,540 1.207,541 0.932,542 1.74,543 1.01,544 3,545 0.037,546 2,547 0.75,548 0.787,549 0.438,550 0.285,551 0.149,552 0.078,553 0.088,554 5019,555 12414,556 2.131,557 46.2,558 4,559 12,563 2,567 1.625,568 2.066,569 3.333,570 -0.844,572 1,575 51.258,576 1.314,577 2.998,578 3.881,579 4.548,580 4.67,581 4.721,582 2.761,583 3.916,584 4.366,585 3.465,586 727.735,587 7.443,588 8008.26,590 1,591 1,592 1,593 206.131,594 1.049,595 4.355,596 0.13,597 0.003,598 0.067,599 0.026,600 0.036,601 0.023,602 0.016,603 0.009,604 0.005,605 0.007,606 0.322,607 0.83,608 1,609 0.418,610 96.837,611 0.003,612 -0.05,613 0.059,614 -0.038,615 -0.01,616 0.011,617 -0.082,618 -0.094,619 -0.058,620 -0.089,621 -0.039,622 -0.073,623 0.016,624 0.02,625 -0.019,626 0.015,627 -0.013,628 -0.004,629 -0.107,630 -0.155,631 -0.185,632 -0.161,633 -0.156,634 -0.182,635 0.117,636 -0.075,637 -0.028,638 -0.079,639 0.02,640 -0.077,641 0.197,642 -0.008,643 0.153,644 0.002,645 0.198,646 0.059,647 -0.173,648 0.096,649 -0.031,650 0.094,651 -0.146,652 0.06,653 -0.238,654 0.052,655 -0.21,656 0.033,657 -0.23,658 -0.065,659 1.511,660 5.224,661 0.762,662 17.116,663 0.998,664 1.112,665 2.996,666 8.978,667 0.672,668 3.178,669 3.434,670 3.664,671 3.85,672 4.06,673 3.989,674 4.043,675 4.043,676 4.078,677 3.932,678 5.991,679 0.638,680 282.36,681 3.178,682 4.673,683 5.493,684 6.33,685 7.165,686 8.007,687 8.848,688 9.694,689 10.539,690 11.388,709 8,714 4,716 12,721 1,735 2,738 39,739 13,740 2,741 23,743 41,744 18,745 12,746 4,747 8,748 1,752 3,753 4,766 3,768 13,769 5,772 1,778 1,782 1,786 1,789 18,790 3,792 3,803 0.667,804 3,823 3,827 1,855 2,862 21,869 5,872 2,886 7.7,889 1,891 2,893 10.167,894 6.917,895 4.722,896 2.472,898 2.097,899 1.315,900 0.976,901 4.44,902 8.756,903 3.434,904 3.951,905 4.466,906 4.934,907 5.427,908 5.42,909 5.593,910 5.585,911 5.733,912 5.731,913 0.857,914 29,915 7.791,917 3.264,918 7.683,919 15.059,921 12.245,924 2.183,925 45.833,926 0.001,929 211.88,930 114.59,933 47.145,936 114.59,937 259.025,940 16.788,941 75.81,942 30.278,943 38.858,945 211.88,947 211.88,948 114.59,949 47.145,952 211.88,953 47.145,956 16.788,957 97.801,960 211.88,961 47.145,962 114.59,965 211.88,966 38.78,967 75.81,969 47.145,970 211.88,971 47.145,972 114.59,973 0.564,974 0.325,975 0.17,976 0.092,977 14,978 5,979 0.122,980 5,981 1,982 1.125,983 3.532,984 151.579,985 0.125,986 16,987 86.239,993 13.996,994 6.662,995 3.573,997 47.145,998 15.666,1003 3.372,1006 373.614,1007 30,1013 12.224,1017 0.155,1020 38.934,1021 43.365,1022 0.249,1023 0.567,1024 0.734,1025 0.861,1026 0.884,1027 0.893,1028 4.625,1029 1,1030 5.425,1031 2.938,1032 4.111,1033 4.635,1034 1.977,1035 6.146,1036 4.06,1037 5.779,1038 0.895,1039 6.923,1040 2.136,1041 3.434,1042 4.205,1044 6.862,1045 3.395,1046 7.046,1047 0.631,1048 8.523,1049 1.976,1050 5.609,1051 6.722,1052 2.142,1053 9.936,1054 5.521,1055 8.349,1056 -0.13,1057 10.188,1058 1.477,1059 5.802,1060 7.14,1062 11.521,1063 5.725,1064 9.687,1065 -0.48,1066 11.894,1067 -0.298,1068 7.383,1069 9.096,1070 2.426,1071 14.061,1072 7.266,1073 11.049,1074 -0.618,1075 13.629,1076 -1.133,1077 8.005,1078 9.919,1080 15.996,1081 7.889,1082 12.429,1083 -0.82,1084 15.384,1085 -1.599,1086 9.31,1087 11.611,1088 2.796,1089 18.341,1090 9.163,1091 2.975,1092 -1,1093 17.152,1094 -1.743,1095 10.151,1096 12.654,1098 20.431,1099 9.996,1100 2.6,1101 9.416,1102 18.93,1103 -2.347,1104 11.325,1105 14.206,1106 3.22,1107 22.701,1108 11.146,1109 2.505,1110 8.142,1111 20.716,1112 3.975,1113 12.278,1114 15.376,1116 24.862,1117 12.085,1118 1.666,1119 6.964,1120 22.508,1121 3.445,1122 13.393,1123 16.85,1124 3.675,1125 27.105,1126 13.18,1127 1.618,1128 4.446,1129 24.305,1130 3.236,1131 14.404,1132 18.098,1134 29.302,1135 14.174,1136 1.493,1137 3.931,1138 26.105,1139 2.127,1140 15.493,1141 19.528,1142 4.146,1143 31.535,1144 15.245,1145 1.327,1146 3.17,1147 27.908,1148 2.063,1149 16.535,1150 20.824,1152 33.75,1153 16.269,1154 4772,1155 7613,1156 15.89,1157 26.216,1158 33.69,1159 34.773,1160 33.807,1161 33.382,1162 33.42,1163 43.168,1164 5.995,1165 89.19,1166 32.484,1167 5.277,1168 5.608,1169 6.052,1170 5.09,1171 4.975,1172 6.975,1173 2.555,1174 15.793,1175 4.923,1176 5.362,1177 1.465,1178 1.512,1179 1.47,1180 1.451,1181 1.453,1182 1.877,1183 0.261,1184 3.878,1185 1.412,1186 3.988,1187 4.006,1188 3.936,1189 3.903,1190 7.427,1191 3.905,1192 3.905,1193 3.93,1194 3.832,1195 3.838,1196 4.939,1197 3.835,1198 3.615,1199 3.652,1200 3.51,1201 3.458,1202 4.75,1203 3.459,1204 3.42,1205 3.477,1206 3.263,1207 3.245,1208 4.293,1209 3.245,1210 3.133,1211 3.175,1212 3.009,1213 2.98,1214 4.209,1215 2.979,1216 2.888,1217 2.932,1218 2.768,1219 2.735,1220 3.971,1221 2.723,1222 2.854,1223 2.925,1224 2.687,1225 2.726,1226 3.674,1227 2.715,1228 2.752,1229 2.804,1230 2.604,1231 2.62,1232 3.554,1233 2.61,1234 0.188,1235 0.157,1236 0.272,1237 0.172,1238 0.129,1239 4.333,1240 0.173,1241 3.608,1242 0.056,1243 6.25,1244 0.409,1245 3.949,1246 0.127,1247 2.975,1248 3.975,1249 1.277,1250 9.416,1251 2.923,1252 1.941,1253 1.919,1254 2.075,1255 2.048,1256 1.306,1257 2.05,1258 1.899,1259 1.879,1260 1.998,1261 1.997,1262 1.122,1263 2.004,1264 1.588,1265 1.544,1266 1.814,1267 1.775,1268 1.001,1269 1.786,1270 1.406,1271 1.351,1272 1.674,1273 1.609,1274 0.907,1275 1.635,1276 1.11,1277 1.065,1278 1.362,1279 1.308,1280 0.556,1281 1.323,1282 0.886,1283 0.821,1284 1.181,1285 1.081,1286 0.218,1287 1.107,1288 0.864,1289 0.814,1290 1.129,1291 1.062,1292 0.195,1293 1.092,1294 0.745,1295 0.699,1296 0.99,1297 0.942,1298 0.11,1299 0.957,1300 3.85,1302 5.118,1304 6.594,1306 8.161,1308 9.773,1315 3.443,1318 10.972,1326 24.886,1327 51.258,1328 116.911,1329 151.376,1330 177.376,1331 182.131,1332 184.131,1333 31.829,1334 6.659,1335 35.53,1336 35.53,1337 18,1338 11.947,1339 3.807,1340 3,1341 32.452,1342 75,1343 69,1344 0.207,1345 152.749,1346 268.97,1347 364.468,1348 6824,1350 14.493,1351 0.69,1352 0.566,1353 14.493,1354 11.879,1355 10.326,1356 0.449,1357 0.317,1358 7.215,1359 9.997,1360 7.08,1361 5.833,1362 10.326,1363 7.296,1364 8.79,1365 0.293,1366 0.171,1367 8.79,1368 5.121,1369 7.382,1370 0.194,1371 0.094,1372 7.382,1373 3.576,1374 5.867,1375 0.128,1376 0.053,1377 5.867,1378 2.459,1379 4.746,1380 0.083,1381 0.029,1382 4.746,1383 1.667,1384 0.332,1385 64.353,1386 0.251,1387 21.326,1388 0.548,1389 106,1390 315.207,1391 115.19,1392 296.246,1393 402.38,1394 280,1395 121,1396 287.545,1397 130.523,1398 287.982,1399 419.63,1400 273,1401 6.796}
{0 CHEMBL1480756,1 1.744,2 9.478,3 4.102,4 16.828,5 92.473,6 9.453,7 0.654,8 3.68,9 3.777,10 3.511,11 3.336,12 4.915,13 3.312,14 4.142,15 4.266,16 3.875,17 3.696,18 5.35,19 3.662,20 4.328,21 4.482,22 3.994,23 3.798,24 5.562,25 3.743,26 4.311,27 4.481,28 3.903,29 3.658,30 5.592,31 3.584,32 4.105,33 4.286,34 3.549,35 3.455,36 5.255,37 3.366,38 4.026,39 4.236,40 3.421,41 3.324,42 5.182,43 3.24,44 3.906,45 4.099,46 3.407,47 3.257,48 5.135,49 3.225,50 3.822,51 3.99,52 3.304,53 3.177,54 5.211,55 3.182,56 0.082,57 0.557,58 4.053,59 2.687,60 5.597,61 2.801,62 0.213,63 0.903,64 10.679,65 4.598,66 10.781,67 4.523,68 0.218,69 1.03,70 12.345,71 5.844,72 24.682,73 6.141,74 0.383,75 1.038,76 17.055,77 6.087,78 38.45,79 5.168,80 0.241,81 0.828,82 12.579,83 4.999,84 25.201,85 4.638,86 0.281,87 0.76,88 13.288,89 4.776,90 26.775,91 4.958,92 0.174,93 0.662,94 11.538,95 4.201,96 16.004,97 4.452,98 0.239,99 0.592,100 8.327,101 3.151,102 27.943,103 3.037,104 2,105 36,106 0.313,107 0.615,108 0.734,109 0.861,110 0.903,111 0.903,112 3.189,113 0.919,114 -4.12,115 -4.06,116 -3.84,120 47.1,127 1,143 8,144 2,145 1,147 1,148 1,149 1,159 1,167 2,174 8,176 3,177 9,185 9,188 1,189 10,197 5,200 2,201 14,209 3,213 1,214 6,222 2,226 3,227 6,235 3,239 1,240 6,247 3,251 2,252 8,260 5,264 4,271 6,274 640,275 16.052,276 16.052,277 16.052,278 16.052,279 16.052,280 13.816,281 11.477,282 9.551,283 16.454,284 12.837,285 12.837,286 12.837,287 12.837,288 12.837,289 9.447,290 10.699,291 4.494,292 13.466,293 3.343,294 1.663,295 1,296 0.294,297 0.059,298 0.059,299 3.895,306 1,307 1,308 488,309 2.345,313 211.579,317 180.29,320 1.327,321 20.079,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49.5,333 218,334 4.495,335 4.455,336 6.626,337 4.096,338 3.112,339 4.43,340 3.147,341 10.5,342 3.063,343 4.426,344 3.701,345 6.505,346 3.983,347 3.025,348 4.015,349 1.048,350 10.193,351 2.897,352 3.644,353 3.024,354 5.669,355 3.332,356 2.383,357 2.934,359 7.456,360 2.264,361 3.491,362 2.662,363 5.199,364 3.003,365 2.092,366 2.836,368 6.225,369 1.886,370 3.203,371 2.505,372 4.721,373 2.746,374 1.757,375 2.427,377 4.887,378 1.73,379 3.118,380 1.877,381 4.169,382 2.573,383 1.618,384 2.359,386 3.803,387 1.544,388 2.869,389 1.618,390 3.696,391 2.431,392 1.444,393 2.006,395 3.093,396 1.422,397 2.77,398 1.512,399 3.599,400 2.242,401 1.276,402 1.902,404 2.85,405 1.226,406 2.475,407 1.317,408 3.518,409 1.952,410 1.046,411 1.396,413 2.399,414 0.93,415 2.432,416 1.309,417 3.391,418 1.896,419 0.879,420 1.345,422 2.075,423 0.889,424 2.095,425 1.174,426 3.159,427 1.573,428 0.65,429 0.866,431 1.52,432 0.587,433 1.465,434 0.636,435 2.715,436 0.995,437 0.046,438 0.062,440 0.11,441 0.042,442 1.009,443 0.366,444 2.348,445 0.574,446 -0.379,447 -0.484,449 -0.924,450 -0.352,451 0.882,452 -0.301,453 2.341,454 0.391,455 -0.554,456 -0.745,458 -1.33,459 -0.521,460 0.868,461 -0.608,462 2.129,463 0.346,464 -0.618,465 -0.927,467 -1.478,468 -0.593,469 11.167,470 0.486,471 0.432,472 0.019,473 35,474 1.522,475 20,476 0.87,477 15,478 0.652,479 14.133,480 0.614,481 22.433,482 0.66,483 22.823,484 0.992,485 6.872,486 0.299,487 4.454,488 0.194,489 0.03,491 0.304,496 0.556,497 0.987,498 0.628,499 0.814,500 0.522,501 0.772,502 0.693,503 1.089,504 1.022,505 1.103,506 0.664,507 0.918,508 0.882,509 1.189,510 0.834,511 1.003,512 0.86,513 0.938,514 1.479,515 1.121,516 1.384,517 1.238,518 1.588,519 1.063,520 1.363,521 1.137,522 1.368,523 1.188,524 1.271,525 1.169,526 1.032,527 0.904,528 1.184,529 1,530 0.935,531 0.972,532 1.064,533 1.024,534 0.949,535 0.959,536 0.93,537 0.779,538 1.491,539 0.796,540 0.847,541 0.693,542 1.663,543 0.733,544 3,545 0.033,546 2.889,547 1.438,548 1.142,549 0.417,550 0.284,551 0.259,552 0.185,553 0.102,554 6114,555 18174,556 2.196,557 32.4,559 8,560 2,561 1,567 1.655,568 2.123,569 3.23,570 -0.686,572 1,575 59.31,576 1.744,577 3.425,578 4.087,579 4.793,580 5.029,581 5.029,582 2.629,583 4.089,584 4.502,585 3.348,586 847.16,587 7.737,588 9593.3,590 1,591 1,592 1,593 172.974,594 1.121,595 4.483,596 0.115,597 0.003,598 0.08,599 0.038,600 0.038,601 0.018,602 0.014,603 0.011,604 0.008,605 0.006,606 0.332,607 0.5,608 1,609 0.393,610 107.307,611 0.119,612 0.034,613 0.065,614 0.018,615 -0.006,616 -0.001,617 0.117,618 -0.037,619 -0.083,620 -0.138,621 -0.033,622 -0.082,623 0.039,624 -0.204,625 0.133,626 -0.026,627 0.06,628 -0.014,629 -0.154,630 -0.059,631 -0.096,632 -0.09,633 -0.132,634 -0.116,635 -0.256,636 -0.114,637 -0.234,638 -0.13,639 -0.174,640 -0.208,641 0.045,642 0.108,643 -0.042,644 0.052,645 0.052,646 0.053,647 -0.014,648 -0.044,649 0.095,650 0.044,651 0.124,652 0.223,653 -0.122,654 0.193,655 -0.087,656 0.123,657 -0.015,658 0.134,659 1.818,660 5.428,661 0.87,662 15.486,663 1.017,664 1.114,665 2.887,666 8.335,667 0.747,668 3.296,669 3.611,670 3.932,671 4.19,672 4.419,673 4.394,674 4.489,675 4.585,676 4.71,677 4.654,678 5.653,679 0.723,680 321.39,681 3.296,682 4.828,683 5.694,684 6.569,685 7.446,686 8.326,687 9.205,688 10.086,689 10.965,690 11.847,691 14.7,698 1,701 2,704 2,708 2,709 9,710 2,714 3,716 17,738 34,739 19,740 2,741 26,743 37,744 16,745 14,746 4,747 8,748 1,752 4,753 6,768 15,769 1,772 2,778 1,781 2,782 1,786 1,789 11,790 6,792 7,793 1,797 5,803 0.5,804 1,817 1,823 4,827 2,855 2,856 1,857 1,862 23,869 1,873 1,875 1,886 2.9,889 1,893 10.833,894 6.333,895 5.056,896 1.93,898 3.932,899 1.532,900 1.03,901 3.583,902 11.318,903 3.624,904 4.234,905 4.885,906 5.474,907 6.02,908 6.191,909 6.536,910 6.843,911 7.208,912 7.106,913 1,914 38,915 8.454,917 3.644,918 7.775,919 15.961,921 13.084,924 2.275,925 52.333,929 129.482,930 133.605,931 69.776,933 25.145,935 32.22,936 101.385,937 154.627,938 69.776,940 3.473,941 75.81,942 75.192,943 19.278,944 57.868,945 126.388,947 129.482,948 171.162,949 25.145,950 32.22,952 129.482,953 25.145,956 14.235,957 90.152,958 66.775,959 32.22,960 129.482,961 94.921,962 133.605,965 129.482,966 49.176,967 87.43,969 91.919,970 129.482,971 94.921,972 133.605,973 0.577,974 0.354,975 0.198,976 0.105,977 19,978 7,979 0.081,980 3,981 2,982 1.2,983 3.618,984 188.871,985 0.2,986 20,987 102.042,989 1,993 14.012,994 5.882,995 2.611,996 1.837,997 94.921,998 16.492,999 8.537,1003 1.986,1006 358.008,1007 36.5,1013 12.428,1016 8.075,1017 -0.151,1020 34.564,1021 37.867,1022 0.343,1023 0.673,1024 0.803,1025 0.942,1026 0.988,1027 0.988,1028 4.838,1029 1.276,1030 5.659,1031 3.093,1032 4.29,1033 4.92,1034 3.136,1035 6.475,1036 4.207,1037 6.041,1038 1.046,1039 7.217,1040 2.85,1041 3.761,1042 4.605,1044 7.398,1045 3.662,1046 7.342,1047 0.879,1048 8.883,1049 2.399,1050 5.878,1051 7.153,1052 5.296,1053 10.526,1054 5.727,1055 8.684,1056 0.65,1057 10.614,1058 2.075,1059 6.236,1060 7.748,1062 12.305,1063 6.076,1064 10.063,1065 0.046,1066 12.388,1067 1.52,1068 7.771,1069 9.702,1070 7.574,1071 14.93,1072 7.571,1073 11.468,1074 -0.379,1075 14.189,1076 0.11,1077 8.547,1078 10.746,1080 17.036,1081 8.337,1082 12.894,1083 -0.554,1084 16.011,1085 -0.924,1086 9.839,1087 12.437,1088 9.865,1089 19.488,1090 9.598,1091 3.112,1092 -0.618,1093 17.846,1094 -1.33,1095 10.808,1096 13.702,1098 21.727,1099 10.552,1100 3.025,1101 10.5,1102 19.691,1103 -1.478,1104 11.999,1105 15.273,1106 12.158,1107 24.114,1108 11.717,1109 2.383,1110 10.193,1111 21.544,1112 4.43,1113 13.055,1114 16.645,1116 26.408,1117 12.754,1118 2.092,1119 7.456,1120 23.402,1121 4.015,1122 14.204,1123 18.161,1124 14.451,1125 28.768,1126 13.881,1127 1.757,1128 6.225,1129 25.265,1130 2.934,1131 15.298,1132 19.585,1134 31.087,1135 14.955,1136 1.618,1137 4.887,1138 27.132,1139 2.836,1140 16.431,1141 21.077,1142 16.744,1143 33.436,1144 16.067,1145 1.444,1146 3.803,1147 29.001,1148 2.427,1149 17.541,1150 22.527,1152 35.766,1153 17.157,1154 5658,1155 9908,1156 18.087,1157 25.415,1158 39.272,1159 42.813,1160 39.584,1161 38.659,1162 38.654,1163 53.155,1164 8.39,1165 110.221,1166 36.96,1167 5.396,1168 6.455,1169 6.315,1170 5.238,1171 5.112,1172 7.43,1173 6.294,1174 17.697,1175 5.063,1176 5.692,1177 1.51,1178 1.647,1179 1.522,1180 1.487,1181 1.487,1182 2.044,1183 0.323,1184 4.239,1185 1.422,1186 4.049,1187 4.079,1188 4.113,1189 3.98,1190 7.428,1191 3.975,1192 3.961,1193 3.993,1194 3.926,1195 3.867,1196 5.061,1197 3.874,1198 3.5,1199 3.554,1200 3.667,1201 3.392,1202 4.967,1203 3.344,1204 3.374,1205 3.436,1206 3.322,1207 3.172,1208 4.522,1209 3.202,1210 3.058,1211 3.104,1212 3.174,1213 2.957,1214 4.471,1215 2.93,1216 2.995,1217 3.044,1218 2.947,1219 2.798,1220 4.022,1221 2.811,1222 2.888,1223 2.952,1224 2.785,1225 2.767,1226 3.732,1227 2.744,1228 2.609,1229 2.673,1230 2.499,1231 2.474,1232 3.566,1233 2.472,1234 0.173,1235 0.171,1236 0.255,1237 0.158,1238 0.12,1239 4.495,1240 0.17,1241 4.455,1242 0.121,1243 6.626,1244 0.404,1245 4.096,1246 0.118,1247 3.112,1248 4.43,1249 3.147,1250 10.5,1251 3.063,1252 2.001,1253 1.977,1254 2.066,1255 2.094,1256 1.177,1257 2.092,1258 1.918,1259 1.893,1260 2.007,1261 2.039,1262 1.092,1263 2.025,1264 1.423,1265 1.381,1266 1.527,1267 1.633,1268 0.795,1269 1.629,1270 1.299,1271 1.241,1272 1.447,1273 1.521,1274 0.425,1275 1.51,1276 1.017,1277 0.979,1278 1.186,1279 1.178,1280 0.247,1281 1.205,1282 0.927,1283 0.87,1284 1.161,1285 1.151,1286 0.228,1287 1.14,1288 0.891,1289 0.831,1290 1.13,1291 1.076,1292 0.177,1293 1.106,1294 0.61,1295 0.547,1296 0.878,1297 0.796,1299 0.823,1300 3.97,1302 5.283,1304 6.821,1306 8.461,1308 10.149,1315 0.345,1319 1.435,1321 1.351,1326 24.589,1327 59.31,1328 116.444,1329 138.974,1330 162.974,1331 170.974,1332 170.974,1333 30.402,1334 7.386,1335 73.56,1336 98.86,1337 24,1338 12.382,1339 4.322,1340 3.524,1341 31.939,1342 80,1343 64,1344 0.198,1345 154.499,1346 259.12,1347 368.738,1348 17080,1350 15.648,1351 0.68,1352 0.555,1353 16.002,1354 12.772,1355 11.326,1356 0.436,1357 0.306,1358 6.967,1359 10.475,1360 6.749,1361 5.587,1362 11.781,1363 7.964,1364 9.882,1365 0.274,1366 0.162,1367 10.433,1368 5.814,1369 8.926,1370 0.179,1371 0.089,1372 9.634,1373 4.432,1374 7.593,1375 0.117,1376 0.049,1377 8.417,1378 3.189,1379 6.261,1380 0.076,1381 0.027,1382 7.035,1383 2.213,1384 0.31,1385 75.469,1386 0.235,1387 22.507,1388 0.547,1389 124,1390 390.821,1391 159.018,1392 403.03,1393 556.33,1394 378,1395 148,1396 405.434,1397 181.388,1398 422.271,1399 618.25,1400 396,1401 4.971}
{0 CHEMBL1481417,1 1.44,2 6.588,3 2.575,4 6.631,5 62.067,6 8.81,7 1,8 3.4,9 3.507,10 3.136,11 3.04,12 4.585,13 3.05,14 3.864,15 3.992,16 3.518,17 3.424,18 5.052,19 3.426,20 4.035,21 4.223,22 3.479,23 3.441,24 5.171,25 3.42,26 3.894,27 4.098,28 3.214,29 3.257,30 4.977,31 3.207,32 3.645,33 3.854,34 2.986,35 3.029,36 4.706,37 2.973,38 3.432,39 3.623,40 2.713,41 2.859,42 4.437,43 2.785,44 3.284,45 3.515,46 2.389,47 2.574,48 4.232,49 2.474,50 2.99,51 3.252,52 1.859,53 2.161,54 3.899,55 2.032,56 0.022,57 0.405,58 3.267,59 1.736,60 3.285,61 1.878,62 0.063,63 0.66,64 5.693,65 2.832,66 6.879,67 3.119,68 0.131,69 0.776,70 8.99,71 3.617,72 14.723,73 4.151,74 0.154,75 0.669,76 8.202,77 3.229,78 14.675,79 3.749,80 0.109,81 0.505,82 6.748,83 2.805,84 10.499,85 3.553,86 0.049,87 0.39,88 4.966,89 2.253,90 6.626,91 2.759,92 0.047,93 0.329,94 5.071,95 2.112,96 6.251,97 2.743,98 0.059,99 0.245,100 4.147,101 1.499,102 6.556,103 1.884,105 29,106 0.274,107 0.492,108 0.66,109 0.793,110 0.809,111 0.824,112 2.911,113 0.81,114 -2.49,115 -2.52,116 -2.46,120 52,143 6,147 5,153 1,161 1,174 3,177 5,180 1,182 1,185 2,188 1,189 7,194 1,197 2,200 1,201 2,204 1,209 2,213 1,217 1,222 4,227 1,232 1,235 2,240 2,245 2,252 1,257 1,274 210,275 11.964,276 11.964,277 11.964,278 11.964,279 11.964,280 9.768,282 7.018,283 12.198,284 9.93,285 9.93,286 9.93,287 9.93,288 9.93,289 6.62,291 3.38,292 10.325,293 3.204,294 2.061,295 1.18,296 0.48,297 0.4,298 0.32,299 3.618,306 1,307 1,308 260,309 1.732,312 23.143,313 70.354,316 37.022,317 77.181,320 1.024,321 9.989,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 36,333 112,334 4.628,335 3.128,336 6.447,337 4.092,338 3.128,339 4.692,341 10.147,342 3.015,343 4.314,344 2.814,345 6.139,346 3.779,347 2.814,348 4.221,350 9.064,351 2.715,352 3.849,353 2.349,354 5.758,355 3.318,356 2.349,357 3.523,359 7.694,360 2.271,361 3.365,362 1.865,363 4.841,364 2.817,365 1.865,366 2.797,368 5.527,369 1.773,370 2.978,371 1.478,372 4.389,373 2.442,374 1.478,375 2.217,377 4.224,378 1.424,379 2.919,380 1.419,381 3.713,382 2.411,383 1.419,384 2.129,386 3.016,387 1.406,388 2.607,389 1.107,390 3.622,391 2.029,392 1.107,393 1.66,395 2.452,396 1.019,397 2.391,398 0.891,399 3.456,400 1.838,401 0.891,402 1.337,404 2.409,405 0.841,406 1.685,407 0.185,408 2.916,409 1.133,410 0.185,411 0.277,413 0.474,414 0.175,415 1.195,416 -0.305,417 2.782,418 0.651,419 -0.305,420 -0.458,422 -0.886,423 -0.291,424 0.953,425 -0.547,426 2.525,427 0.406,428 -0.547,429 -0.821,431 -1.386,432 -0.52,433 0.716,434 -0.784,435 2.123,436 0.198,437 -0.784,438 -1.176,440 -2.128,441 -0.768,442 0.377,443 -1.123,444 2,445 -0.142,446 -1.123,447 -1.685,449 -3.097,450 -1.102,451 0.295,452 -1.205,453 1.542,454 -0.233,455 -1.205,456 -1.808,458 -3.36,459 -1.165,460 -0.104,461 -1.604,462 1.46,463 -0.666,464 -1.604,465 -2.406,467 -4.547,468 -1.508,469 8.1,470 0.476,471 0.359,472 0.021,473 28,474 1.647,475 16,476 0.941,477 12,478 0.706,479 8.118,480 0.478,481 15.9,482 0.636,483 15.673,484 0.922,485 5.476,486 0.322,487 2.923,488 0.172,491 0.37,496 0.922,497 1.16,498 0.617,499 0.844,500 0.87,501 0.718,502 0.935,503 1.195,504 0.762,505 0.974,506 0.849,507 0.871,508 1.203,509 1.07,510 0.967,511 0.932,512 1.088,513 0.916,514 1.172,515 0.878,516 1.162,517 0.969,518 1.286,519 1.042,520 0.731,521 0.819,522 0.934,523 0.946,524 0.798,525 0.966,526 0.902,527 1.01,528 1.152,529 1.166,530 1.041,531 1.192,532 0.857,533 1.102,534 1.145,535 1.242,536 0.771,537 1.24,538 1.323,539 0.94,540 1.433,541 1.154,542 1.275,543 1.275,544 3,546 1.778,547 0.819,548 1.146,549 0.216,550 0.266,551 0.05,552 0.01,554 2549,555 6583,556 2.308,557 32,559 6,561 1,562 1,567 1.571,568 2.267,569 2.792,570 -0.256,574 1,575 35.991,576 1.44,577 2.583,578 3.463,579 4.164,580 4.244,581 4.324,582 1.993,583 2.984,584 4.066,585 2.814,586 382.735,587 6.876,588 3293.49,590 1,592 1,593 116.096,594 0.937,595 4.059,596 0.15,598 0.061,599 0.03,600 0.057,601 0.013,602 0.022,603 0.006,604 0.002,606 0.343,607 0.83,608 1,610 68.285,611 -0.103,612 -0.161,613 0.05,614 -0.024,615 -0.157,616 0.024,617 -0.01,618 -0.185,619 -0.031,620 -0.142,621 -0.012,622 -0.102,623 -0.124,624 -0.061,625 -0.044,626 -0.021,627 -0.018,628 -0.02,629 -0.078,630 0.126,631 -0.193,632 -0.032,633 -0.205,634 -0.109,635 0.212,636 0.124,637 0.075,638 0.048,639 0.193,640 0.041,641 -0.126,642 -0.112,643 -0.201,644 -0.175,645 -0.21,646 -0.195,647 -0.012,648 -0.233,649 -0.039,650 -0.18,651 0.119,652 -0.129,653 -0.262,654 -0.022,655 -0.227,656 -0.076,657 -0.223,658 -0.13,659 0.789,660 1.597,661 1,662 8.886,663 1.007,664 1.113,665 1.261,666 1.59,667 0.742,668 3.045,669 3.401,670 3.738,671 4.06,672 4.344,673 4.454,674 4.644,675 4.836,676 4.89,677 4.787,678 4.003,679 0.726,680 220.25,681 3.045,682 4.595,683 5.476,684 6.375,685 7.272,686 8.174,687 9.076,688 9.98,689 10.884,690 11.789,691 16,699 1,701 3,708 6,709 7,710 3,711 1,716 20,738 25,739 20,740 2,741 20,743 28,744 13,745 13,746 6,747 6,752 4,753 10,768 13,786 1,789 8,790 3,791 1,792 4,794 1,797 4,803 0.25,813 1,822 1,823 3,826 1,827 2,855 1,862 17,893 7.5,894 4.683,895 3.583,896 1.483,898 4.418,899 1.623,900 1.138,901 1.601,902 11.507,903 3.434,904 4.193,905 4.937,906 5.668,907 6.36,908 6.876,909 7.474,910 8.072,911 8.532,912 8.834,913 0.6,914 27,915 6.229,917 2.741,918 7.588,919 11.962,921 10.168,924 2.088,925 35.5,926 0.002,929 82.398,930 78.341,931 67.142,936 78.341,937 82.398,938 67.142,941 56.857,942 70.746,943 27.506,944 2.144,945 70.627,947 82.398,948 145.483,952 82.398,956 36.125,957 59.002,958 50.357,960 82.398,961 67.142,962 78.341,965 82.398,966 12.865,967 65.476,968 16.786,969 50.357,970 82.398,971 67.142,972 78.341,973 0.588,974 0.352,975 0.2,976 0.11,977 18,978 6,981 3,982 1.353,983 3.053,984 132.309,985 0.353,986 17,987 69.487,993 8.796,994 3.094,995 1.249,996 5.502,997 50.357,998 13.504,999 13.414,1000 3.081,1005 16.786,1006 227.881,1007 30,1020 25.174,1021 27.824,1022 0.31,1023 0.556,1024 0.746,1025 0.897,1026 0.914,1027 0.931,1028 4.644,1029 0.891,1030 5.46,1031 2.452,1032 4.078,1033 4.879,1035 6.293,1036 4.002,1037 5.901,1038 0.185,1039 7.022,1040 2.409,1041 3.611,1042 4.808,1044 7.168,1045 3.509,1046 7.241,1047 -0.305,1048 8.683,1049 0.474,1050 5.687,1051 7.306,1053 10.293,1054 5.54,1055 8.623,1056 -0.547,1057 10.401,1058 -0.886,1059 6.066,1060 8.091,1062 11.977,1063 5.884,1064 10.035,1065 -0.784,1066 12.154,1067 -1.386,1068 7.581,1069 10.014,1071 14.584,1072 7.365,1073 11.471,1074 -1.123,1075 13.932,1076 -2.128,1077 8.356,1078 11.194,1080 16.602,1081 8.099,1082 12.923,1083 -1.205,1084 15.725,1085 -3.097,1086 9.637,1087 12.881,1089 19.018,1090 9.349,1091 3.128,1092 -1.604,1093 17.529,1094 -3.36,1095 10.598,1096 14.247,1098 21.185,1099 10.268,1100 2.814,1101 10.147,1102 19.342,1103 -4.547,1104 11.781,1105 15.835,1107 23.527,1108 11.419,1109 2.349,1110 9.064,1111 21.16,1112 4.692,1113 12.828,1114 17.288,1116 25.762,1117 12.426,1118 1.865,1119 7.694,1120 22.983,1121 4.221,1122 13.972,1123 18.838,1125 28.077,1126 13.537,1127 1.478,1128 5.527,1129 24.811,1130 3.523,1131 15.061,1132 20.332,1134 30.346,1135 14.585,1136 1.419,1137 4.224,1138 26.641,1139 2.797,1140 16.191,1141 21.867,1143 32.651,1144 15.681,1145 1.107,1146 3.016,1147 28.474,1148 2.217,1149 17.299,1150 23.381,1152 34.937,1153 16.751,1154 2331,1155 3846,1156 14.216,1157 18.546,1158 30.471,1159 30.471,1160 30.364,1161 30.439,1162 30.471,1163 45.707,1165 90.016,1166 29.279,1167 5.128,1168 5.128,1169 6.131,1170 5.164,1171 5.128,1172 7.692,1174 16.978,1175 5.015,1177 1.524,1178 1.524,1179 1.518,1180 1.522,1181 1.524,1182 2.285,1184 4.501,1185 1.464,1186 4.189,1187 4.226,1188 4.164,1189 4.079,1190 5.188,1191 4.096,1192 3.912,1193 3.954,1194 3.869,1195 3.807,1196 4.928,1197 3.815,1198 3.445,1199 3.501,1200 3.381,1201 3.278,1202 4.42,1203 3.301,1204 3.053,1205 3.114,1206 2.982,1207 2.902,1208 4.178,1209 2.912,1210 2.868,1211 2.931,1212 2.764,1213 2.733,1214 3.762,1215 2.734,1216 2.815,1217 2.88,1218 2.688,1219 2.694,1220 3.747,1221 2.683,1222 2.305,1223 2.363,1224 2.202,1225 2.206,1226 3.386,1227 2.199,1228 2.189,1229 2.314,1230 2.079,1231 1.808,1232 3.022,1233 1.867,1234 0.231,1235 0.156,1236 0.322,1237 0.205,1238 0.156,1239 4.628,1240 0.235,1241 3.128,1243 6.447,1244 0.507,1245 4.092,1246 0.151,1247 3.128,1248 4.692,1250 10.147,1251 3.015,1252 2.079,1253 2.052,1254 2.131,1255 2.188,1256 1.227,1257 2.173,1258 1.795,1259 1.769,1260 1.894,1261 1.885,1262 1.009,1263 1.889,1264 1.373,1265 1.292,1266 1.534,1267 1.662,1268 0.47,1269 1.633,1270 1.142,1271 1.097,1272 1.237,1273 1.319,1274 0.278,1275 1.3,1276 0.962,1277 0.902,1278 1.181,1279 1.152,1280 0.213,1281 1.161,1282 0.728,1283 0.66,1284 1.02,1285 0.917,1286 0.074,1287 0.958,1288 0.615,1289 0.575,1290 0.791,1291 0.768,1293 0.782,1296 0.403,1297 0.277,1299 0.313,1300 3.714,1302 5.056,1303 2.398,1304 6.611,1305 4.595,1306 8.265,1307 6.581,1308 9.97,1326 18.139,1327 35.991,1328 64.571,1329 86.587,1330 104.096,1331 106.096,1332 108.096,1333 14.051,1334 7.088,1335 54.46,1336 54.46,1337 23,1338 12.308,1339 4.392,1340 3.459,1341 20.986,1342 44,1343 28,1344 0.263,1345 109.655,1346 163.3,1347 259.319,1348 10374,1350 11.242,1351 0.661,1352 0.523,1353 11.242,1354 8.883,1355 8.399,1356 0.42,1357 0.27,1358 5.333,1359 8.142,1360 5.247,1361 4.325,1362 8.399,1363 5.397,1364 7.719,1365 0.266,1366 0.137,1367 7.719,1368 3.973,1369 6.972,1370 0.17,1371 0.07,1372 6.972,1373 2.88,1374 6.157,1375 0.108,1376 0.036,1377 6.157,1378 2.051,1379 5.22,1380 0.069,1381 0.019,1382 5.22,1383 1.412,1384 0.389,1385 52.119,1386 0.265,1387 16.666,1388 0.787,1389 98,1390 263.268,1391 105.605,1392 264.021,1393 380.46,1394 250,1395 119,1396 300.07,1397 127.41,1398 305.678,1399 452.15,1400 290,1401 4.809}
{0 CHEMBL1481525,1 1.598,2 13.727,3 5.127,4 26.29,5 126.704,6 7.682,7 0.343,8 4.185,9 4.278,10 3.903,11 3.764,12 5.279,13 3.718,14 4.746,15 4.896,16 4.182,17 4.139,18 6,19 4.076,20 5.015,21 5.203,22 4.294,23 4.308,24 6.134,25 4.214,26 5.139,27 5.359,28 4.268,29 4.275,30 6.332,31 4.178,32 5.049,33 5.26,34 4.227,35 4.187,36 6.317,37 4.118,38 4.878,39 5.034,40 4.135,41 4.136,42 6.221,43 4.083,44 4.907,45 5.084,46 4.022,47 4.097,48 6.23,49 4.029,50 4.796,51 4.999,52 3.919,53 4.061,54 5.973,55 3.946,56 0.102,57 0.83,58 15.333,59 6.496,60 23.137,61 7.523,62 0.528,63 1.324,64 25.118,65 10.602,66 78.297,67 13.107,68 0.374,69 1.728,70 36.233,71 14.139,72 61.381,73 17.547,74 0.656,75 1.851,76 45.411,77 15.088,78 121.243,79 18.575,80 0.805,81 1.623,82 40.715,83 13.559,84 122.969,85 16.455,86 0.475,87 1.469,88 34.19,89 11.654,90 104.751,91 13.228,92 0.768,93 1.451,94 31.791,95 10.944,96 130.787,97 13.35,98 0.481,99 1.376,100 27.398,101 10.608,102 81.898,103 13.931,104 54,105 49,106 0.257,107 0.593,108 0.779,109 0.857,110 0.867,111 0.867,112 3.531,113 1.051,114 -3.96,115 -3.91,116 -3.71,120 41,121 2,122 4,123 1,125 1,128 1,136 1,137 1,143 7,144 2,145 3,159 2,174 15,176 3,177 4,180 1,182 3,185 16,188 1,189 12,194 4,197 12,200 1,201 15,204 1,206 2,209 4,213 2,214 16,219 2,222 7,227 13,232 1,235 12,239 2,240 7,243 1,247 15,251 2,252 4,255 1,260 16,264 3,271 12,274 1941,275 21.781,276 21.781,277 21.781,278 21.781,279 21.781,280 19.627,281 20.997,282 12.644,283 22.185,284 17.103,285 17.103,286 17.103,287 17.103,288 17.103,289 13.582,290 22.252,291 5.81,292 17.691,293 4.333,294 2.235,295 1.081,296 0.595,297 0.529,298 0.529,299 4.208,306 1,307 1,308 947,309 4.528,313 395.767,320 2.193,321 49.059,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 72,333 453,334 4.86,335 5.249,336 7.312,337 4.316,338 3.4,339 4.709,340 3.324,341 12.53,342 3.088,343 4.319,344 4.099,345 6.188,346 3.92,347 2.934,348 3.942,349 2.035,350 9.198,351 2.894,352 4.153,353 3.503,354 6.133,355 3.802,356 2.838,357 3.56,358 1.058,359 8.959,360 2.739,361 3.833,362 3.237,363 5.912,364 3.629,365 2.637,366 3.388,367 0.86,368 8.202,369 2.6,370 3.783,371 2.806,372 5.234,373 3.394,374 2.395,375 2.857,377 6.505,378 2.391,379 3.488,380 2.776,381 5.126,382 3.12,383 2.136,384 2.702,386 6.257,387 2.087,388 3.286,389 2.482,390 4.747,391 2.623,392 1.66,393 2.282,395 4.81,396 1.599,397 3.076,398 2.346,399 4.328,400 2.542,401 1.566,402 2.024,404 4.09,405 1.524,406 2.886,407 1.877,408 4.284,409 2.433,410 1.472,411 1.975,413 3.95,414 1.414,415 2.619,416 1.786,417 3.873,418 2.414,419 1.414,420 1.5,422 3.063,423 1.403,424 2.5,425 1.575,426 3.588,427 2.184,428 1.172,429 1.414,431 2.793,432 1.177,433 2.414,434 1.414,435 3.414,436 2,437 1,438 1.384,440 2.275,441 1,442 2.372,443 1,444 3.265,445 1.496,446 0.583,447 0.796,449 1.178,450 0.526,451 1.779,452 0.987,453 2.915,454 1.303,455 0.379,456 0.577,458 0.598,459 0.348,460 1.307,461 0.936,462 2.82,463 1.082,464 0.111,465 0.121,467 0.232,468 0.106,469 15.8,470 0.479,471 0.943,472 0.029,473 42,474 1.273,475 22,476 0.667,477 20,478 0.606,479 30.32,480 0.919,481 36.4,482 0.597,483 35.834,484 1.086,485 7.723,486 0.234,487 8.006,488 0.243,489 0.184,490 0.053,491 0.285,496 0.583,497 1.24,498 0.816,499 1.272,500 0.595,501 1.014,502 0.651,503 1.009,504 0.755,505 0.931,506 0.455,507 0.938,508 0.785,509 1.199,510 0.943,511 1.136,512 0.617,513 1.06,514 1.138,515 0.971,516 1.018,517 1.013,518 0.988,519 0.938,520 1.297,521 0.832,522 0.893,523 0.794,524 1.297,525 0.753,526 1.529,527 1.162,528 1.352,529 1.201,530 1.785,531 1.04,532 1.482,533 0.965,534 1.084,535 0.887,536 1.692,537 1.026,538 0.715,539 1.031,540 0.909,541 0.981,542 0.93,543 1.108,544 8.5,545 0.227,546 4.667,547 2.438,548 2.338,549 1.382,550 0.791,551 0.594,552 0.382,553 0.348,554 15325,555 41727,556 1.969,557 45.9,558 12,559 12,562 1,564 3,567 1.752,568 1.808,569 3.705,570 -0.352,575 97.463,576 1.598,577 3.695,578 4.85,579 5.336,580 5.402,581 5.402,582 3.248,583 4.658,584 5.015,585 3.9,586 2059.11,587 8.779,588 31550.8,593 361.775,594 1.645,595 4.947,596 0.243,597 0.007,598 0.095,599 0.047,600 0.049,601 0.028,602 0.017,603 0.014,604 0.011,605 0.011,606 0.522,607 0.33,608 0.88,609 0.872,610 176.991,611 0.082,612 -0.071,613 0.201,614 -0.089,615 -0.07,616 0.014,617 0.271,618 0.034,619 0.122,620 0.067,621 0.249,622 0.046,623 0.054,624 -0.169,625 0.044,626 -0.102,627 0.08,628 -0.059,629 -0.047,630 0.025,631 0.048,632 -0.013,633 0.036,634 0.032,635 -0.008,636 0.119,637 0.14,638 0.176,639 -0.012,640 0.205,641 -0.242,642 -0.102,643 -0.235,644 -0.132,645 -0.227,646 -0.09,647 -0.148,648 0.036,649 -0.201,650 0.006,651 -0.235,652 -0.11,653 0.079,654 -0.006,655 -0.069,656 -0.056,657 -0.056,658 -0.131,659 4.967,660 5.645,661 0.545,662 36.915,663 1.007,664 1.121,665 2.729,666 7.45,667 0.669,668 3.584,669 3.912,670 4.127,671 4.304,672 4.511,673 4.5,674 4.522,675 4.575,676 4.635,677 4.673,678 7.931,679 0.634,680 468.62,681 3.584,682 5.13,683 5.964,684 6.836,685 7.688,686 8.562,687 9.421,688 10.296,689 11.157,690 12.033,691 3.3,698 1,700 1,709 7,714 5,716 12,735 1,738 61,739 17,740 2,741 35,743 63,744 25,745 12,746 5,747 7,748 3,752 3,753 3,759 2,763 5,764 1,766 5,767 1,768 15,769 9,770 1,772 4,776 1,778 3,780 1,782 2,789 28,790 7,791 1,792 8,793 1,797 2,803 1,804 5,823 3,833 1,838 1,845 1,846 1,855 3,857 1,859 3,862 33,867 1,869 4,871 1,872 2,874 2,877 1,882 1,884 1,886 8.2,889 3,891 2,893 18.25,894 11.783,895 7.375,896 3.744,898 2.67,899 1.363,900 0.945,901 8.183,902 10.032,903 3.871,904 4.431,905 4.909,906 5.367,907 5.871,908 6.083,909 6.368,910 6.657,911 6.93,912 7.177,913 1,914 52,915 12.587,917 5.635,918 7.992,919 23.119,921 18.943,924 2.492,925 82.25,929 317.82,930 165.132,931 49.07,933 89.003,935 7.75,936 157.382,937 406.823,938 49.07,939 28.533,940 28.149,941 83.56,942 90.764,943 72.199,945 317.82,947 317.82,948 206.452,949 89.003,950 7.75,952 282.506,953 124.316,956 76.859,957 120.118,958 17.226,960 317.82,961 138.073,962 165.132,964 7.75,965 317.82,966 36.437,967 104.343,968 34.612,969 120.063,970 317.82,971 138.073,972 165.132,973 0.583,974 0.342,975 0.171,976 0.094,977 21,978 11,979 0.111,980 7,982 1,983 4.277,984 290.956,986 18,987 160.465,992 1,993 24.83,994 10.876,995 6.375,997 138.073,998 10.836,1003 1.639,1005 18.011,1006 621.025,1007 47,1011 -4.05,1013 37.864,1015 1.448,1017 -0.451,1020 61.403,1021 68.361,1022 0.269,1023 0.623,1024 0.818,1025 0.9,1026 0.911,1027 0.911,1028 5.13,1029 1.566,1030 5.984,1031 4.81,1032 4.595,1033 5.118,1034 3.558,1035 6.815,1036 4.529,1037 6.364,1038 1.472,1039 7.571,1040 4.09,1041 4.369,1042 5.173,1044 7.972,1045 4.238,1046 7.706,1047 1.414,1048 9.268,1049 3.95,1050 6.26,1051 7.373,1052 5.646,1053 10.978,1054 6.102,1055 9.086,1056 1.172,1057 11.033,1058 3.063,1059 6.825,1060 8.247,1062 12.966,1063 6.571,1064 10.501,1065 1,1066 12.843,1067 2.793,1068 8.243,1069 9.996,1070 7.953,1071 15.588,1072 7.958,1073 11.943,1074 0.583,1075 14.686,1076 2.275,1077 9.152,1078 11.225,1080 17.9,1081 8.758,1082 13.405,1083 0.379,1084 16.555,1085 1.178,1086 10.406,1087 12.823,1088 10.322,1089 20.429,1090 9.963,1091 3.4,1092 0.111,1093 18.442,1094 0.598,1095 11.469,1096 14.214,1098 22.868,1099 10.913,1100 2.934,1101 12.53,1102 20.347,1103 0.232,1104 12.669,1105 15.763,1106 12.712,1107 25.382,1108 12.045,1109 2.838,1110 9.198,1111 22.264,1112 4.709,1113 13.803,1114 17.23,1116 27.872,1117 13.068,1118 2.637,1119 8.959,1120 24.193,1121 3.942,1122 14.992,1123 18.766,1124 15.11,1125 30.388,1126 14.172,1127 2.395,1128 8.202,1129 26.132,1130 3.56,1131 16.16,1132 20.27,1134 32.899,1135 15.23,1136 2.136,1137 6.505,1138 28.078,1139 3.388,1140 17.352,1141 21.805,1142 17.511,1143 35.419,1144 16.327,1145 1.66,1146 6.257,1147 30.032,1148 2.857,1149 18.54,1150 23.329,1152 37.939,1153 17.405,1154 15049,1155 25180,1156 22.364,1157 40.83,1158 53.136,1159 57.639,1160 54.277,1161 51.375,1162 51.392,1163 66.46,1164 14.554,1165 149.278,1166 49.791,1167 5.86,1168 7.249,1169 6.999,1170 5.386,1171 5.4,1172 7.709,1173 6.648,1174 19.933,1175 5.088,1176 20.347,1177 1.518,1178 1.647,1179 1.551,1180 1.468,1181 1.468,1182 1.899,1183 0.416,1184 4.265,1185 1.423,1186 4.087,1187 4.065,1188 4.73,1189 4.059,1190 7.721,1191 3.991,1192 3.94,1193 3.971,1194 3.904,1195 3.869,1196 7.43,1197 3.863,1198 3.881,1199 3.915,1200 3.777,1201 3.78,1202 6.999,1203 3.77,1204 3.668,1205 3.667,1206 3.718,1207 3.579,1208 6.818,1209 3.539,1210 3.58,1211 3.564,1212 3.572,1213 3.466,1214 4.898,1215 3.442,1216 3.295,1217 3.383,1218 3.12,1219 3.133,1220 4.702,1221 3.107,1222 3.253,1223 3.32,1224 3.062,1225 3.007,1226 4.423,1227 3.011,1228 3.19,1229 3.269,1230 3.041,1231 2.959,1232 4.358,1233 2.965,1234 0.139,1235 0.15,1236 0.209,1237 0.123,1238 0.097,1239 4.86,1240 0.135,1241 5.249,1242 0.095,1243 7.312,1244 0.358,1245 4.316,1246 0.088,1247 3.4,1248 4.709,1249 3.324,1250 12.53,1251 3.088,1252 1.973,1253 1.982,1254 2.11,1255 2.059,1256 1.498,1257 2.077,1258 1.915,1259 1.89,1260 2.026,1261 2.039,1262 1.187,1263 2.067,1264 1.883,1265 1.839,1266 1.99,1267 1.976,1268 1.104,1269 1.984,1270 1.567,1271 1.563,1272 1.676,1273 1.735,1274 0.923,1275 1.718,1276 1.434,1277 1.464,1278 1.644,1279 1.59,1280 0.827,1281 1.631,1282 1.331,1283 1.247,1284 1.56,1285 1.543,1286 0.72,1287 1.592,1288 1.203,1289 1.13,1290 1.526,1291 1.506,1292 0.617,1293 1.525,1294 1.169,1295 1.09,1296 1.471,1297 1.4,1298 0.554,1299 1.424,1300 4.263,1302 5.587,1304 7.104,1306 8.703,1308 10.341,1310 5.35,1315 4.176,1317 2.968,1318 10.574,1320 0.426,1324 9.518,1325 1.952,1326 38.652,1327 97.463,1328 225.413,1329 295.859,1330 325.51,1331 329.51,1332 329.51,1333 99.426,1334 7.361,1335 105.49,1336 113.87,1337 18,1338 12.575,1339 4.17,1340 3.7,1341 64.376,1342 159,1343 156,1344 0.197,1345 243.826,1346 440.24,1347 586.694,1348 15918,1350 24.01,1351 0.728,1352 0.6,1353 24.26,1354 19.815,1355 15.729,1356 0.449,1357 0.35,1358 10.839,1359 14.428,1360 10.366,1361 8.704,1362 16.55,1363 12.259,1364 14.396,1365 0.294,1366 0.2,1367 15.696,1368 9.819,1369 11.611,1370 0.19,1371 0.116,1372 12.702,1373 7.049,1374 8.933,1375 0.122,1376 0.065,1377 9.963,1378 4.746,1379 7.119,1380 0.079,1381 0.038,1382 8.095,1383 3.461,1384 0.315,1385 106.8,1386 0.211,1387 31.014,1388 0.526,1389 168,1390 541.516,1391 221.454,1392 538.946,1393 715.74,1394 494,1395 194,1396 483.585,1397 256.857,1398 530.548,1399 766.22,1400 493,1401 5.664}
{0 CHEMBL1481543,1 1.588,2 9.35,3 2.792,4 7.797,5 75.46,6 7.695,7 0.571,8 3.644,9 3.76,10 3.226,11 3.183,12 4.893,13 3.171,14 4.08,15 4.243,16 3.528,17 3.495,18 5.307,19 3.466,20 4.251,21 4.421,22 3.589,23 3.568,24 5.528,25 3.529,26 4.34,27 4.548,28 3.461,29 3.433,30 5.562,31 3.394,32 4.237,33 4.445,34 3.253,35 3.222,36 5.531,37 3.197,38 4.022,39 4.27,40 3.116,41 3.078,42 5.244,43 3.048,44 3.801,45 3.952,46 3.08,47 3.069,48 5.138,49 3.056,50 3.852,51 4.056,52 2.973,53 3.144,54 5.042,55 3.07,56 0.085,57 0.5,58 6.608,59 2.995,60 9.826,61 3.798,62 0.191,63 0.736,64 11.489,65 4.802,66 22.76,67 6.355,68 0.234,69 0.855,70 13.823,71 5.415,72 28.618,73 7.138,74 0.276,75 0.827,76 17.097,77 5.545,78 34.924,79 7.354,80 0.403,81 0.706,82 16.368,83 4.528,84 60.925,85 5.701,86 0.291,87 0.587,88 13.491,89 3.777,90 40.509,91 5.232,92 0.205,93 0.503,94 9.383,95 3.134,96 31.119,97 3.707,98 0.157,99 0.575,100 9.718,101 3.252,102 27.074,103 4.455,104 17,105 28,106 0.291,107 0.643,108 0.756,109 0.848,110 0.879,111 0.879,112 3.056,113 0.873,114 -3.99,115 -3.94,116 -3.74,120 42.9,121 2,143 6,144 3,146 1,147 1,159 2,164 1,165 1,166 1,167 1,174 10,176 1,177 4,179 1,180 1,185 11,188 2,189 7,191 2,192 2,194 1,197 7,199 1,200 1,201 10,206 1,209 3,211 1,214 7,216 1,217 1,219 2,224 2,226 1,227 6,232 2,235 1,237 2,240 4,245 3,247 3,249 3,252 4,257 1,260 6,262 1,264 1,269 1,271 6,273 1,274 474,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 11.244,281 10.117,282 7.887,283 13.374,284 10.322,285 10.322,286 10.322,287 10.322,288 10.322,289 7.544,290 9.028,291 3.726,292 10.57,293 3.542,294 1.619,295 1.001,296 0.5,297 0.329,298 0.329,299 3.712,305 1,306 1,307 1,308 387,309 3.162,313 146.933,320 1.35,321 19.156,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 43.5,333 187,334 4.351,335 4.148,336 6.4,337 3.983,338 2.986,339 3.988,340 2.637,341 9.687,342 2.972,343 4.163,344 3.405,345 6.017,346 3.735,347 2.778,348 3.707,349 1.051,350 8.537,351 2.655,352 3.668,353 2.805,354 5.165,355 3.292,356 2.296,357 3.02,359 6.3,360 2.277,361 3.345,362 2.68,363 4.662,364 2.844,365 1.874,366 2.647,368 4.793,369 1.812,370 3.108,371 2.211,372 4.289,373 2.697,374 1.71,375 2.268,377 4.122,378 1.679,379 2.722,380 1.827,381 3.879,382 2.27,383 1.285,384 1.793,386 3.129,387 1.262,388 2.609,389 1.441,390 3.464,391 2.047,392 1.066,393 1.581,395 2.529,396 1.039,397 2.5,398 1.135,399 3.247,400 1.957,401 1,402 1.5,404 2.136,405 0.955,406 1.522,407 1,408 2.87,409 1.332,410 0.343,411 0.384,413 0.753,414 0.337,415 1.25,416 0.417,417 2.359,418 0.87,419 -0.158,420 -0.206,422 -0.357,423 -0.16,424 0.796,425 0.059,426 2.344,427 0.485,428 -0.515,429 -0.621,431 -1.242,432 -0.515,433 0.707,434 -0.165,435 1.943,436 0.218,437 -0.743,438 -0.964,440 -1.603,441 -0.712,442 0.5,443 -0.519,444 1.555,445 -0.025,446 -1,447 -1.345,449 -2.347,450 -0.931,451 0.419,452 -0.692,453 1.529,454 -0.044,455 -1,456 -1.5,458 -2.428,459 -0.973,460 0.133,461 -1,462 1.372,463 -0.16,464 -1.156,465 -1.571,467 -3.114,468 -1.168,469 9.367,470 0.468,471 0.511,472 0.026,473 27.25,474 1.363,475 15,476 0.75,477 12.25,478 0.613,479 12.857,480 0.643,481 21.233,482 0.607,483 18.87,484 0.943,485 5.803,486 0.29,487 3.772,488 0.189,489 0.185,491 0.32,496 0.672,497 1.097,498 0.768,499 0.994,500 0.731,501 0.91,502 0.521,503 1.067,504 0.687,505 0.983,506 0.5,507 0.885,508 0.739,509 1.133,510 0.952,511 1.209,512 0.682,513 1.135,514 1.367,515 1.2,516 1.044,517 1.156,518 1.13,519 1.064,520 2.097,521 1.051,522 1.287,523 0.936,524 1.968,525 0.975,526 1.432,527 0.708,528 0.865,529 0.609,530 1.391,531 0.62,532 2.011,533 1.112,534 1.235,535 0.906,536 2.185,537 0.95,538 1.103,539 1.026,540 1.27,541 1.002,542 1.416,543 1.113,544 4,545 0.062,546 2.667,547 1.5,548 0.764,549 0.528,550 0.366,551 0.219,552 0.14,553 0.081,554 3781,555 10663,556 1.966,557 42.9,558 6,559 6,561 1,562 2,567 1.614,568 1.818,569 3.208,570 0.361,572 1,574 1,575 55.563,576 1.588,577 3.51,578 4.129,579 4.629,580 4.8,581 4.8,582 2.666,583 3.684,584 4.297,585 3.33,586 632.718,587 7.32,588 6639.32,589 1,590 1,591 1,592 1,593 179.525,594 1.485,595 4.237,596 0.19,597 0.009,598 0.095,599 0.054,600 0.033,601 0.029,602 0.022,603 0.013,604 0.009,605 0.007,606 0.461,607 0.5,608 1,609 0.68,610 89.808,611 0.076,612 0.055,613 0.028,614 0.034,615 -0.102,616 0.025,617 0.258,618 -0.012,619 0.184,620 0.037,621 0.176,622 0.087,623 0.186,624 -0.066,625 -0.057,626 -0.235,627 0.132,628 -0.202,629 -0.065,630 -0.252,631 -0.029,632 -0.216,633 0.001,634 -0.132,635 -0.32,636 -0.128,637 -0.198,638 -0.04,639 -0.225,640 -0.094,641 -0.089,642 0.231,643 0.214,644 0.302,645 0.009,646 0.319,647 -0.437,648 -0.109,649 -0.261,650 0.052,651 -0.332,652 -0.065,653 -0.278,654 0.069,655 -0.361,656 -0.068,657 -0.304,658 -0.192,659 2.207,660 4.907,661 0.6,662 13.93,663 1.007,664 1.126,665 2.761,666 7.624,667 0.671,668 3.091,669 3.367,670 3.555,671 3.689,672 3.784,673 3.664,674 3.526,675 3.434,676 3.466,677 3.466,678 5.519,679 0.647,680 269.33,681 3.091,682 4.595,683 5.407,684 6.248,685 7.074,686 7.918,687 8.748,688 9.592,689 10.424,690 11.269,691 8.6,692 1,700 1,701 1,709 7,710 1,714 4,716 12,738 35,739 14,740 1,741 21,743 36,744 15,745 11,746 3,747 3,748 2,752 2,753 2,759 2,768 13,769 2,772 2,778 1,781 1,782 2,785 1,786 1,789 15,790 5,791 2,792 5,797 3,799 1,803 1,804 2,816 1,823 2,848 1,855 2,859 2,862 20,863 1,872 1,886 5.7,889 1,891 1,893 11,894 6.9,895 4.5,896 1.915,898 2.602,899 1.427,900 0.949,901 4.359,902 8.691,903 3.401,904 3.97,905 4.477,906 4.952,907 5.389,908 5.389,909 5.45,910 5.537,911 5.807,912 6.157,913 1,914 28,915 7.319,917 2.973,918 7.925,919 13.579,921 10.339,924 2.425,925 48.5,929 153.024,930 105.388,931 69.083,933 36.364,936 105.388,937 189.388,938 69.083,939 17.65,940 32.897,941 56.857,942 63.221,943 51.98,945 141.253,947 153.024,948 174.471,949 36.364,952 153.024,953 36.364,956 81.752,957 75.933,958 16.786,960 153.024,961 105.446,962 105.388,965 153.024,966 21.833,967 83.555,969 105.446,970 153.024,971 105.446,972 105.388,973 0.576,974 0.331,975 0.166,976 0.082,977 12,978 6,979 0.111,980 4,982 1,983 3.243,984 137.522,986 12,987 84.439,993 14.067,994 6.198,995 3.582,997 105.446,998 12.264,999 4.011,1003 2.839,1005 32.897,1006 363.859,1007 29,1013 11.907,1016 3.617,1017 -0.481,1020 35.262,1021 39.405,1022 0.31,1023 0.684,1024 0.805,1025 0.902,1026 0.936,1027 0.936,1028 4.595,1029 1,1030 5.38,1031 2.529,1032 4.043,1033 4.654,1034 2.84,1035 6.129,1036 3.999,1037 5.804,1038 0.343,1039 6.913,1040 2.136,1041 3.611,1042 4.369,1044 6.952,1045 3.556,1046 7.097,1047 -0.158,1048 8.548,1049 0.753,1050 5.58,1051 6.798,1052 4.606,1053 9.999,1054 5.497,1055 8.426,1056 -0.515,1057 10.243,1058 -0.357,1059 5.943,1060 7.287,1062 11.645,1063 5.852,1064 9.782,1065 -0.743,1066 11.976,1067 -1.242,1068 7.399,1069 9.202,1070 6.515,1071 14.204,1072 7.284,1073 11.159,1074 -1,1075 13.736,1076 -1.603,1077 8.132,1078 10.073,1080 16.186,1081 8.011,1082 12.552,1083 -1,1084 15.514,1085 -2.347,1086 9.373,1087 11.743,1088 8.45,1089 18.562,1090 9.231,1091 2.986,1092 -1.156,1093 17.307,1094 -2.428,1095 10.283,1096 12.823,1098 20.691,1099 10.136,1100 2.778,1101 9.687,1102 19.11,1103 -3.114,1104 11.428,1105 14.362,1106 10.388,1107 22.995,1108 11.266,1109 2.296,1110 8.537,1111 20.92,1112 3.988,1113 12.424,1114 15.562,1116 25.19,1117 12.258,1118 1.874,1119 6.3,1120 22.737,1121 3.707,1122 13.529,1123 17.027,1124 12.327,1125 27.465,1126 13.351,1127 1.71,1128 4.793,1129 24.559,1130 3.02,1131 14.566,1132 18.296,1134 29.692,1135 14.384,1136 1.285,1137 4.122,1138 26.385,1139 2.647,1140 15.653,1141 19.72,1142 14.266,1143 31.956,1144 15.465,1145 1.066,1146 3.129,1147 28.215,1148 2.268,1149 16.711,1150 21.03,1152 34.199,1153 16.519,1154 3819,1155 6557,1156 13.523,1157 23.495,1158 31.119,1159 33.485,1160 31.988,1161 30.657,1162 30.675,1163 41.776,1164 7.375,1165 83.971,1166 29.977,1167 5.134,1168 6.148,1169 6.202,1170 5.023,1171 4.986,1172 6.988,1173 5.273,1174 16.316,1175 4.972,1176 10.677,1177 1.482,1178 1.595,1179 1.523,1180 1.46,1181 1.461,1182 1.989,1183 0.351,1184 3.999,1185 1.427,1186 3.97,1187 3.993,1188 3.918,1189 3.905,1190 7.433,1191 3.903,1192 3.874,1193 3.916,1194 3.821,1195 3.763,1196 5.199,1197 3.772,1198 3.448,1199 3.488,1200 3.396,1201 3.211,1202 4.805,1203 3.24,1204 3.285,1205 3.361,1206 3.168,1207 3.105,1208 4.715,1209 3.113,1210 3.155,1211 3.219,1212 2.98,1213 2.974,1214 4.522,1215 2.967,1216 2.918,1217 2.978,1218 2.731,1219 2.662,1220 3.942,1221 2.677,1222 2.787,1223 2.87,1224 2.633,1225 2.601,1226 3.832,1227 2.603,1228 2.601,1229 2.716,1230 2.443,1231 2.361,1232 3.779,1233 2.324,1234 0.207,1235 0.198,1236 0.305,1237 0.19,1238 0.142,1239 4.351,1240 0.19,1241 4.148,1242 0.126,1243 6.4,1244 0.461,1245 3.983,1246 0.142,1247 2.986,1248 3.988,1249 2.637,1250 9.687,1251 2.972,1252 1.945,1253 1.924,1254 2.059,1255 2.029,1256 1.191,1257 2.037,1258 1.835,1259 1.797,1260 1.946,1261 1.973,1262 0.952,1263 1.967,1264 1.344,1265 1.299,1266 1.639,1267 1.612,1268 0.723,1269 1.584,1270 1.258,1271 1.188,1272 1.464,1273 1.506,1274 0.504,1275 1.531,1276 1.135,1277 1.071,1278 1.415,1279 1.376,1280 0.306,1281 1.391,1282 0.836,1283 0.793,1284 1.098,1285 1.167,1286 0.074,1287 1.141,1288 0.782,1289 0.704,1290 1.034,1291 1.01,1292 0.038,1293 1.045,1294 0.612,1295 0.509,1296 0.988,1297 0.874,1299 0.91,1300 3.761,1302 5.043,1304 6.521,1306 8.082,1308 9.684,1310 3.8,1313 5.694,1318 4.849,1326 22.655,1327 55.563,1328 122.854,1329 144.505,1330 162.015,1331 168.015,1332 168.015,1333 33.63,1334 6.089,1335 77.57,1336 77.57,1337 12,1338 11.833,1339 3.907,1340 3.17,1341 36.593,1342 67,1343 56,1344 0.271,1345 144.825,1346 251,1347 345.133,1348 2986,1350 14.535,1351 0.727,1352 0.566,1353 14.535,1354 11.33,1355 9.575,1356 0.456,1357 0.291,1358 6.032,1359 9.215,1360 5.797,1361 4.917,1362 9.575,1363 6.112,1364 8.489,1365 0.303,1366 0.157,1367 8.489,1368 4.389,1369 6.761,1370 0.199,1371 0.081,1372 6.761,1373 2.756,1374 5.213,1375 0.134,1376 0.045,1377 5.213,1378 1.743,1379 3.682,1380 0.086,1381 0.022,1382 3.682,1383 0.96,1384 0.427,1385 60.135,1386 0.272,1387 20.193,1388 0.733,1389 98,1390 324.074,1391 108.391,1392 315.454,1393 424.99,1394 292,1395 111,1396 315.969,1397 121.643,1398 319.233,1399 454.69,1400 297,1401 6.796}
{0 CHEMBL1482004,1 1.279,2 6.5,3 2.277,4 5.184,5 73.147,6 6.241,7 0.286,8 3.758,9 3.888,10 3.191,11 3.353,12 4.649,13 3.288,14 4.396,15 4.564,16 3.685,17 3.897,18 5.199,19 3.805,20 4.851,21 5.066,22 3.708,23 4.135,24 5.64,25 3.979,26 4.974,27 5.284,28 3.486,29 4.027,30 5.615,31 3.812,32 4.651,33 4.927,34 3.223,35 3.761,36 5.418,37 3.562,38 4.438,39 4.742,40 2.987,41 3.482,42 5.187,43 3.275,44 4.098,45 4.4,46 2.495,47 3.062,48 4.924,49 2.844,50 3.773,51 4.146,52 2.018,53 2.514,54 4.57,55 2.245,56 0.058,57 0.547,58 9.769,59 4.24,60 8.39,61 5.877,62 0.078,63 0.996,64 18.391,65 8.233,66 9.935,67 11.406,68 0.21,69 1.439,70 29.244,71 12.008,72 28.134,73 16.822,74 0.219,75 1.471,76 32.278,77 12.9,78 29.114,79 18.598,80 0.192,81 1.075,82 23.625,83 9.419,84 30.605,85 13.312,86 0.134,87 0.864,88 18.897,89 7.296,90 22.346,91 10.616,92 0.136,93 0.63,94 13.685,95 4.456,96 20.634,97 6.841,98 0.136,99 0.417,100 9.673,101 3.037,102 20.599,103 4.849,104 5,105 34,106 0.233,107 0.548,108 0.659,109 0.785,110 0.785,111 0.785,112 2.965,113 1.022,114 -4.38,115 -4.32,116 -4.07,120 41,122 6,123 2,124 1,131 1,143 4,144 1,145 1,164 1,165 1,166 1,174 14,182 5,185 24,187 2,194 5,197 21,199 2,206 5,209 16,211 1,219 3,222 10,224 1,232 5,235 6,237 3,245 2,249 2,256 1,257 3,259 1,262 3,274 328,275 11.919,276 11.919,277 11.919,278 11.919,279 11.919,280 11.182,281 12.461,282 6.604,283 11.978,284 10.407,285 10.407,286 10.407,287 10.407,288 10.407,289 9.357,290 13.178,291 3.187,292 10.53,293 4.006,294 2.277,295 1.667,296 0.974,297 0.974,298 0.974,299 3.658,305 1,306 1,307 1,308 267,309 2.828,313 201.906,315 154.839,320 1.056,321 13.9,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 37.5,333 117,334 4.703,335 3.827,336 7.734,337 4.65,338 3.659,339 3.927,341 14.524,342 3.628,343 4.17,344 3.324,345 6.94,346 4.067,347 3.093,348 3.396,350 11.658,351 3.003,352 3.766,353 2.515,354 5.503,355 3.424,356 2.439,357 3.041,359 7.297,360 2.398,361 3.359,362 2.367,363 5.191,364 3.292,365 2.303,366 2.4,368 6.345,369 2.275,370 3,371 2,372 5.115,373 3,374 2,375 2.009,377 6.15,378 2,379 2.915,380 1.655,381 4.825,382 2.596,383 1.605,384 2,386 4.878,387 1.589,388 2.5,389 1,390 3.693,391 2,392 1,393 1.5,395 2.275,396 1,397 1.116,398 0.045,399 3.618,400 1,406 1,408 3.414,409 1,415 1,417 3.081,418 0.812,419 -0.161,420 -0.192,422 -0.366,423 -0.156,424 0.5,425 -0.076,426 2.746,427 0.419,428 -0.505,429 -0.506,431 -1.597,432 -0.456,433 0.498,434 -0.704,435 2.716,436 0.148,437 -0.841,438 -0.878,440 -2.679,441 -0.83,442 0.21,443 -1,444 2.296,446 -1,447 -1,449 -3,450 -1,452 -1,453 2,455 -1,456 -1.368,458 -3.309,459 -1,460 -0.093,461 -1.148,462 2,463 -0.342,464 -1.303,465 -1.5,467 -3.546,468 -1.247,469 8.733,470 0.485,471 0.688,472 0.038,473 17.5,474 0.972,475 6.5,476 0.361,477 11,478 0.611,479 19.06,480 1.059,481 20.067,482 0.515,483 8.71,484 0.484,485 2.41,486 0.134,487 6.16,488 0.342,489 0.084,490 0.115,491 0.229,496 1.042,497 0.971,498 0.989,499 0.96,500 1.092,501 0.964,502 0.624,503 1.12,504 0.921,505 1.112,506 0.569,507 1.053,508 1.246,509 1.241,510 1.28,511 1.281,512 1.207,513 1.289,514 0.697,515 0.873,516 0.839,517 0.91,518 0.699,519 0.891,520 1.211,521 0.992,522 1.069,523 1.035,524 1.176,525 1.049,526 0.815,527 0.999,528 0.871,529 0.957,530 0.824,531 0.927,532 1.412,533 1.125,534 1.204,535 1.047,536 1.54,537 1.085,538 0.542,539 0.823,540 0.644,541 0.666,542 0.57,543 0.655,544 7,546 2.222,547 2,548 1.009,549 0.757,550 0.26,551 0.2,552 0.061,554 2663,555 4798,556 2.189,557 53.8,558 8,559 4,562 3,564 6,567 1.592,568 2.038,569 2.684,570 1.033,572 1,574 1,575 49.892,576 1.279,577 3.008,578 3.618,579 4.311,580 4.311,581 4.311,582 2.171,583 3.239,584 4.144,585 2.781,586 425.536,587 7.056,588 3760.84,589 1,590 1,592 1,593 206.131,594 1.658,595 4.082,596 0.333,598 0.065,599 0.065,600 0.042,601 0.042,602 0.019,603 0.029,604 0.015,606 0.61,607 0.83,608 1,609 0.584,610 73.147,611 -0.119,612 0.244,613 0.043,614 0.191,615 -0.138,616 0.141,617 0.043,618 0.002,619 0.067,620 0.017,621 0.088,622 0.041,623 -0.151,624 -0.21,625 -0.286,626 -0.242,627 -0.127,628 -0.272,629 0.058,630 0.025,631 0.099,632 0.04,633 0.035,634 0.069,635 -0.093,636 -0.071,637 -0.098,638 -0.062,639 -0.071,640 -0.08,641 0.055,642 -0.091,643 0.08,644 -0.016,645 0.049,646 0.025,647 -0.15,648 -0.142,649 -0.206,650 -0.175,651 -0.22,652 -0.19,653 0.404,654 0.049,655 0.308,656 0.139,657 0.386,658 0.2,659 1.62,660 4.759,661 0.889,662 9.136,663 0.981,664 1.125,665 3.154,666 9.947,667 0.643,668 3.091,669 3.555,670 3.85,671 4.277,672 4.595,673 4.812,674 4.89,675 5.004,676 4.673,677 4.691,678 3.938,679 0.59,680 243.38,681 3.091,682 4.71,683 5.602,684 6.569,685 7.482,686 8.457,687 9.376,688 10.356,689 11.279,690 12.26,691 2.6,695 1,709 4,714 2,716 6,728 1,738 39,739 6,740 1,741 21,743 42,744 16,745 6,746 2,747 4,752 4,753 8,760 1,762 1,763 6,764 3,766 6,768 6,769 10,770 3,786 1,789 21,790 2,791 3,792 2,797 1,803 0.5,804 1,807 1,823 5,825 3,853 1,855 2,862 18,863 1,868 1,869 6,874 2,876 2,886 2.6,887 1,893 8.833,894 6.533,895 3.583,896 2.501,898 1.038,899 1.149,900 0.939,901 2.061,902 8.024,903 3.219,904 3.795,905 4.238,906 4.757,907 5.238,908 5.419,909 5.611,910 5.853,911 5.919,912 6.068,913 1,914 31,915 6.759,917 3.144,918 7.472,919 13.706,921 13.261,924 1.972,925 35.5,926 0.005,929 211.88,930 59.055,931 32.897,933 42.683,936 59.055,937 254.563,938 32.897,940 15.207,941 113.486,943 5.942,945 211.88,947 211.88,948 91.952,949 42.683,952 141.253,953 70.627,954 42.683,956 15.207,957 76.744,960 211.88,961 75.581,962 59.055,965 211.88,966 21.15,967 37.905,969 75.581,970 211.88,971 75.581,972 59.055,973 0.617,974 0.348,975 0.199,976 0.118,977 22,978 8,979 0.024,980 1,981 6,982 1.5,983 2.983,984 149.523,985 0.75,986 12,987 65.059,993 11.01,994 3.37,995 1.591,997 75.581,998 8.396,1003 2.242,1005 75.581,1006 346.515,1007 24,1020 38.265,1021 43.86,1022 0.242,1023 0.569,1024 0.685,1025 0.816,1026 0.816,1027 0.816,1028 4.58,1030 5.707,1031 2.275,1032 4.234,1033 4.477,1035 6.693,1036 4.211,1037 5.818,1039 7.377,1041 4.29,1042 4.477,1044 8.236,1045 4.231,1046 7.186,1047 -0.161,1048 9.163,1050 6.098,1051 6.55,1053 11.315,1054 6.048,1055 8.575,1056 -0.505,1057 11.022,1058 -0.366,1059 6.878,1060 7.228,1062 13.613,1063 6.798,1064 9.997,1065 -0.841,1066 12.929,1067 -1.597,1068 8.303,1069 8.911,1071 16.365,1072 8.226,1073 11.44,1074 -1,1075 14.868,1076 -2.679,1077 9.383,1078 9.895,1080 18.909,1081 9.286,1082 12.901,1083 -1,1084 16.832,1085 -3,1086 10.694,1087 11.422,1089 21.585,1090 10.595,1091 3.659,1092 -1.303,1093 18.812,1094 -3.309,1095 11.895,1096 12.561,1098 24.207,1099 11.784,1100 3.093,1101 14.524,1102 20.805,1103 -3.546,1104 13.177,1105 14.013,1107 26.868,1108 13.062,1109 2.439,1110 11.658,1111 22.807,1112 3.927,1113 14.427,1114 15.239,1116 29.518,1117 14.303,1118 2.303,1119 7.297,1120 24.816,1121 3.396,1122 15.705,1123 16.651,1125 32.18,1126 15.576,1127 2,1128 6.345,1129 26.831,1130 3.041,1131 16.976,1132 17.929,1134 34.841,1135 16.84,1136 1.605,1137 6.15,1138 28.851,1139 2.4,1140 18.257,1141 19.319,1143 37.506,1144 18.115,1145 1,1146 4.878,1147 30.874,1148 2.009,1149 19.538,1150 20.63,1152 40.173,1153 19.389,1154 2525,1155 3406,1156 14.099,1157 25.074,1158 32.826,1159 32.081,1160 33.781,1161 32.313,1162 32.198,1163 36.545,1165 106.251,1166 31.786,1167 5.703,1168 5.827,1169 7.148,1170 5.65,1171 5.659,1172 6.927,1174 22.307,1175 5.628,1176 6.918,1177 1.563,1178 1.528,1179 1.609,1180 1.539,1181 1.533,1182 1.74,1184 5.06,1185 1.514,1186 4.11,1187 4.144,1188 4.026,1189 4.04,1190 6.446,1191 4.032,1192 3.841,1193 3.878,1194 3.762,1195 3.765,1196 5.112,1197 3.759,1198 3.274,1199 3.327,1200 3.15,1201 3.134,1202 4.538,1203 3.126,1204 3.25,1205 3.316,1206 3.1,1207 3.098,1208 4.275,1209 3.091,1210 3.228,1211 3.304,1212 3.039,1213 3.096,1214 3.674,1215 3.073,1216 2.889,1217 3.009,1218 2.687,1219 2.735,1220 3.569,1221 2.715,1222 2.854,1223 2.925,1224 2.686,1225 2.636,1226 3.568,1227 2.636,1228 2.524,1229 2.66,1230 2.161,1231 2.274,1232 3.393,1233 2.228,1234 0.224,1235 0.182,1236 0.368,1237 0.221,1238 0.174,1239 4.703,1240 0.187,1241 3.827,1243 7.734,1244 0.692,1245 4.65,1246 0.173,1247 3.659,1248 3.927,1250 14.524,1251 3.628,1252 2.091,1253 2.06,1254 2.236,1255 2.188,1256 1.695,1257 2.206,1258 1.842,1259 1.809,1260 1.972,1261 1.945,1262 1.125,1263 1.956,1264 1.262,1265 1.204,1266 1.562,1267 1.469,1268 0.947,1269 1.489,1270 1.261,1271 1.196,1272 1.529,1273 1.445,1274 0.878,1275 1.485,1276 1.25,1277 1.192,1278 1.501,1279 1.442,1280 0.81,1281 1.467,1282 0.886,1283 0.821,1284 1.192,1285 1.192,1286 0.325,1287 1.21,1288 0.848,1289 0.745,1290 1.181,1291 1.062,1292 0.325,1293 1.107,1294 0.585,1295 0.455,1296 1.079,1297 0.895,1298 0.218,1299 0.967,1300 3.761,1302 5.187,1304 6.836,1306 8.601,1308 10.425,1313 5.795,1314 10.759,1315 6.946,1320 1.489,1322 -0.127,1326 23.004,1327 49.892,1328 117.318,1329 141.111,1330 168.131,1331 168.131,1332 168.131,1333 28.031,1334 6.986,1335 46.25,1336 46.25,1337 24,1338 12.74,1339 2.807,1340 2,1341 22.558,1342 41,1343 50,1344 0.28,1345 136.683,1346 236.89,1347 325.266,1348 7935,1350 12.38,1351 0.688,1352 0.596,1353 12.38,1354 10.731,1355 8.57,1356 0.408,1357 0.341,1358 7.13,1359 8.472,1360 6.938,1361 5.663,1362 8.57,1363 7.154,1364 9.091,1365 0.267,1366 0.208,1367 9.091,1368 7.088,1369 7.281,1370 0.158,1371 0.121,1372 7.281,1373 5.553,1374 7.148,1375 0.101,1376 0.076,1377 7.148,1378 5.389,1379 5.889,1380 0.06,1381 0.044,1382 5.889,1383 4.284,1384 0.408,1385 52.208,1386 0.266,1387 17.288,1388 0.874,1389 110,1390 185.462,1391 113.795,1392 189.329,1393 265.18,1394 176,1395 135,1396 201.875,1397 138.158,1398 210.58,1399 310.26,1400 198,1401 4.385}
{0 CHEMBL1482120,1 1.663,2 8.263,3 4.409,4 19.443,5 85.453,6 8.356,7 0.3,8 3.623,9 3.734,10 3.352,11 3.287,12 4.71,13 3.192,14 4.147,15 4.316,16 3.83,17 3.685,18 5.179,19 3.562,20 4.352,21 4.519,22 3.757,23 3.763,24 5.523,25 3.631,26 4.493,27 4.775,28 3.433,29 3.674,30 5.437,31 3.467,32 4.255,33 4.53,34 3.163,35 3.461,36 5.093,37 3.253,38 3.994,39 4.253,40 3.309,41 3.34,42 4.939,43 3.165,44 3.781,45 3.916,46 3.257,47 3.267,48 5.009,49 3.074,50 3.796,51 4.069,52 2.82,53 2.933,54 4.758,55 2.726,56 0.034,57 0.492,58 6.735,59 3.436,60 4.925,61 4.32,62 0.143,63 0.842,64 19.401,65 6.663,66 14.259,67 7.651,68 0.189,69 0.977,70 17.164,71 6.935,72 28.698,73 8.802,74 0.175,75 1.06,76 26.107,77 9.511,78 42.935,79 12.038,80 0.137,81 0.839,82 20.056,83 7.39,84 23.882,85 9.309,86 0.085,87 0.648,88 14.946,89 5.821,90 15.971,91 7.219,92 0.064,93 0.567,94 13.437,95 5.149,96 20.163,97 5.276,98 0.177,99 0.576,100 16.284,101 4.666,102 25.908,103 4.894,104 27,105 29,106 0.308,107 0.62,108 0.701,109 0.722,110 0.722,111 0.722,112 3.009,113 1.112,114 -4,115 -3.95,116 -3.75,120 40,121 3,124 1,126 1,143 4,144 2,156 1,159 1,160 1,167 1,174 10,176 1,177 2,185 14,188 1,189 5,197 11,201 4,209 7,214 4,222 4,227 4,235 2,240 6,247 2,252 4,260 1,264 1,271 1,274 400,275 12.041,276 12.041,277 12.041,278 12.041,279 12.041,280 10.965,281 11.677,282 6.845,283 12.39,284 9.819,285 9.819,286 9.819,287 9.819,288 9.819,289 8.028,290 8.993,291 3.209,292 10.392,293 3.466,294 1.783,295 1.351,296 1.237,297 1.237,298 1.237,299 3.656,306 1,307 1,308 321,309 3.24,312 59.122,313 65.025,320 1.512,321 15.448,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 40,333 157,334 4.44,335 4.838,336 7.111,337 4.313,338 3.313,339 3.848,340 4.615,341 11.657,342 3.313,343 4.209,344 3.608,345 6.411,346 3.911,347 2.997,348 3.447,349 2.047,350 9.706,351 2.751,352 3.848,353 3.538,354 5.352,355 3.473,356 2.48,357 3.197,358 0.88,359 6.999,360 2.461,361 3.214,362 3.175,363 4.732,364 2.672,365 1.732,366 2.303,368 4.726,369 1.655,370 3.049,371 2.584,372 4.586,373 2.624,374 1.664,375 2.158,377 4.722,378 1.534,379 2.674,380 1.962,381 4.045,382 2.215,383 1.333,384 1.625,386 3.455,387 1.137,388 2.5,389 1.618,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 1.923,398 1.551,399 3.212,400 1.478,401 0.601,402 0.762,404 1.415,405 0.516,406 1.465,407 1,408 2.754,409 0.861,410 -0.086,411 -0.113,413 -0.197,414 -0.078,415 0.925,416 0.965,417 2.29,418 0.418,419 -0.553,420 -0.798,422 -1.275,423 -0.522,424 0.5,425 -0.028,426 2,428 -1,429 -1,431 -2.414,432 -0.833,433 0.461,434 -0.288,435 2,437 -1,438 -1,440 -3,441 -1,443 -1,444 2,446 -1,447 -1.303,449 -3,450 -1,452 -1,453 2,454 -0.083,455 -1,456 -1.489,458 -3,459 -1,460 -0.068,461 -1,462 1.68,463 -0.315,464 -1.269,465 -1.5,467 -3.582,468 -1.246,469 9.8,470 0.516,471 0.71,472 0.037,473 21,474 1.105,475 10,476 0.526,477 11,478 0.579,479 17.219,480 0.906,481 20.2,482 0.577,483 12.983,484 0.683,485 3.617,486 0.19,487 5.259,488 0.277,489 0.272,490 0.051,491 0.245,496 0.54,497 1.013,498 0.652,499 0.807,500 0.574,501 0.907,502 0.533,503 1.046,504 0.67,505 0.836,506 0.529,507 0.791,508 0.912,509 1.256,510 0.77,511 1.033,512 1.026,513 1.209,514 0.523,515 0.876,516 0.648,517 0.793,518 0.455,519 0.895,520 0.703,521 0.861,522 0.725,523 0.783,524 0.644,525 0.923,526 0.605,527 0.65,528 0.528,529 0.573,530 0.497,531 0.629,532 1.419,533 1.494,534 1.52,535 1.509,536 1.575,537 1.4,538 1.792,539 0.811,540 1.271,541 0.901,542 1.495,543 0.806,544 5.5,545 0.06,546 3.111,547 1.542,548 0.587,549 0.698,550 0.314,551 0.168,552 0.199,553 0.215,554 3215,555 9267,556 1.923,557 45.7,558 9,559 6,561 1,567 1.596,568 1.74,569 2.996,570 -0.724,572 1,575 58.222,576 1.663,577 3.346,578 3.778,579 3.893,580 3.893,581 3.893,582 2.358,583 3.471,584 4.223,585 3.228,586 552.049,587 7.157,588 5646.76,590 1,592 1,593 179.525,594 1.763,595 4.128,596 0.275,597 0.005,598 0.107,599 0.059,600 0.031,601 0.047,602 0.018,603 0.012,604 0.022,605 0.022,606 0.598,607 0.83,608 1,609 0.954,610 83.645,611 0.12,612 0.016,613 0.048,614 0.018,615 -0.053,616 -0.002,617 0.252,618 -0.022,619 0.232,620 0.101,621 0.099,622 0.159,623 0.094,624 -0.294,625 -0.061,626 -0.236,627 -0.005,628 -0.31,629 0.121,630 -0.002,631 0.133,632 0.045,633 0.146,634 0.092,635 0.002,636 0.026,637 0.053,638 0.052,639 -0.03,640 0.054,641 0.123,642 0.247,643 0.313,644 0.318,645 0.205,646 0.368,647 -0.193,648 -0.451,649 -0.312,650 -0.359,651 -0.149,652 -0.431,653 -0.337,654 0.277,655 -0.12,656 0.123,657 -0.242,658 0.133,659 1.724,660 4.495,661 0.579,662 13.745,663 0.996,664 1.113,665 2.772,666 7.683,667 0.717,668 3.045,669 3.401,670 3.555,671 3.664,672 3.689,673 3.714,674 3.664,675 3.555,676 3.807,677 3.892,678 5.371,679 0.652,680 292.46,681 3.045,682 4.595,683 5.416,684 6.29,685 7.127,686 7.998,687 8.839,688 9.709,689 10.552,690 11.42,691 5.7,698 1,700 1,709 4,714 2,716 6,738 35,739 9,740 1,741 20,743 36,744 14,745 6,746 2,747 4,748 1,752 2,753 2,755 1,759 3,760 1,768 9,769 5,772 3,778 1,779 1,780 1,781 1,782 2,786 1,789 16,790 3,792 5,793 2,797 2,803 1,804 1,822 1,823 1,852 1,855 2,857 2,859 3,862 19,869 1,873 1,875 1,876 1,886 2.9,889 1,893 10.917,894 7.317,895 4.056,896 1.991,898 1.867,899 1.305,900 0.919,901 4.19,902 7.981,903 3.296,904 3.818,905 4.252,906 4.686,907 5.065,908 5.274,909 5.546,910 5.554,911 6.026,912 6.322,913 1,914 26,915 6.998,917 2.881,918 7.759,919 13.389,921 10.746,924 2.259,925 42.917,926 0.001,929 188.338,930 162.815,931 19.665,933 25.145,935 77.412,936 85.404,937 213.483,938 19.665,939 26.476,940 3.901,941 37.905,942 50.668,943 23.034,945 208.786,946 45.192,947 188.338,948 105.068,949 25.145,950 77.412,952 188.338,953 25.145,956 47.04,957 48.981,958 9.047,959 77.412,960 188.338,961 44.81,962 162.815,965 188.338,966 44.195,967 76.43,969 87,970 188.338,971 44.81,972 162.815,973 0.604,974 0.332,975 0.149,976 0.067,977 14,978 7,979 0.083,980 3,982 1,983 3.087,984 130.425,986 11,987 71.956,989 1,990 1,993 14.385,994 5.535,995 3.5,997 44.81,998 8.169,1003 2.23,1006 395.962,1007 26,1013 11.495,1014 5.057,1015 1.669,1016 4.144,1017 0.463,1020 34.869,1021 38.952,1022 0.324,1023 0.652,1024 0.737,1025 0.759,1026 0.759,1027 0.759,1028 4.559,1029 0.601,1030 5.476,1031 2.275,1032 4.078,1033 4.5,1034 3.904,1035 6.323,1036 3.99,1037 5.788,1038 -0.086,1039 7.084,1040 1.415,1041 4.007,1042 4.407,1043 3.208,1044 7.591,1045 3.932,1046 7.112,1047 -0.553,1048 8.807,1049 -0.197,1050 5.79,1051 6.575,1052 6.704,1053 10.527,1054 5.657,1055 8.469,1056 -1,1057 10.598,1058 -1.275,1059 6.479,1060 7.187,1061 6.529,1062 12.562,1063 6.357,1064 9.855,1065 -1,1066 12.432,1067 -2.414,1068 7.846,1069 8.924,1070 9.673,1071 15.129,1072 7.69,1073 11.26,1074 -1,1075 14.295,1076 -3,1077 8.827,1078 9.85,1079 9.824,1080 17.422,1081 8.678,1082 12.679,1083 -1,1084 16.178,1085 -3,1086 10.06,1087 11.402,1088 12.671,1089 19.892,1090 9.894,1091 3.313,1092 -1.269,1093 18.076,1094 -3,1095 11.156,1096 12.49,1097 13.061,1098 22.276,1099 10.994,1100 2.997,1101 11.657,1102 19.986,1103 -3.582,1104 12.346,1105 13.947,1106 15.678,1107 24.72,1108 12.179,1109 2.48,1110 9.706,1111 21.904,1112 3.848,1113 13.488,1114 15.128,1115 16.253,1116 27.14,1117 13.326,1118 1.732,1119 6.999,1120 23.829,1121 3.447,1122 14.667,1123 16.533,1124 18.69,1125 29.581,1126 14.507,1127 1.664,1128 4.726,1129 25.759,1130 3.197,1131 15.83,1132 17.77,1133 19.414,1134 32.015,1135 15.676,1136 1.333,1137 4.722,1138 27.693,1139 2.303,1140 17.007,1141 19.147,1142 21.708,1143 34.459,1144 16.858,1145 1,1146 3.455,1147 29.631,1148 2.158,1149 18.18,1150 20.419,1151 22.553,1152 36.901,1153 18.039,1154 3305,1155 5841,1156 12.425,1157 25.091,1158 31.245,1159 35.518,1160 31.326,1161 30.171,1162 30.242,1163 37.679,1164 15.084,1165 89.911,1166 28.734,1167 5.291,1168 6.838,1169 6.525,1170 5.397,1171 5.313,1172 6.848,1173 8.893,1174 18.533,1175 5.313,1176 11.819,1177 1.562,1178 1.776,1179 1.566,1180 1.509,1181 1.512,1182 1.884,1183 0.754,1184 4.496,1185 1.437,1186 3.979,1187 4.011,1188 4.185,1189 3.922,1190 7.427,1191 3.915,1192 3.749,1193 3.777,1194 3.899,1195 3.7,1196 4.877,1197 3.619,1198 3.584,1199 3.635,1200 3.476,1201 3.488,1202 4.717,1203 3.466,1204 3.122,1205 3.191,1206 3.326,1207 2.946,1208 4.412,1209 2.945,1210 2.874,1211 3.009,1212 3.11,1213 2.902,1214 4.161,1215 2.781,1216 2.874,1217 3.009,1218 2.795,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.618,1226 3.561,1227 2.57,1228 2.844,1229 2.821,1230 2.499,1231 2.618,1232 3.467,1233 2.57,1234 0.222,1235 0.242,1236 0.356,1237 0.216,1238 0.166,1239 4.44,1240 0.192,1241 4.838,1242 0.231,1243 7.111,1244 0.583,1245 4.313,1246 0.166,1247 3.313,1248 3.848,1249 4.615,1250 11.657,1251 3.313,1252 1.964,1253 1.937,1254 2.092,1255 2.044,1256 1.286,1257 2.061,1258 1.628,1259 1.573,1260 1.849,1261 1.796,1262 0.958,1263 1.812,1264 1.405,1265 1.371,1266 1.54,1267 1.651,1268 0.803,1269 1.625,1270 1.271,1271 1.276,1272 1.417,1273 1.372,1274 0.469,1275 1.418,1276 0.965,1277 0.933,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.309,1285 1.239,1286 0.361,1287 1.308,1288 0.934,1289 0.804,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.804,1296 0.91,1297 1.042,1298 0.145,1299 1.1,1300 3.714,1302 5.056,1303 2.398,1304 6.569,1305 4.727,1306 8.152,1307 6.763,1308 9.768,1310 6.526,1315 0.388,1319 1.349,1321 1.289,1322 0.138,1326 22.819,1327 58.222,1328 117.107,1329 132.241,1330 136.241,1331 136.241,1332 136.241,1333 34.041,1334 6.114,1335 32.67,1336 90.06,1337 11,1338 11.97,1339 3.322,1340 2.807,1341 33.953,1342 62,1343 43,1344 0.276,1345 152.559,1346 267.11,1347 364.003,1348 2985,1350 14.044,1351 0.739,1352 0.676,1353 14.897,1354 12.846,1355 8.876,1356 0.444,1357 0.371,1358 6.092,1359 8.03,1360 5.633,1361 4.771,1362 9.619,1363 7.414,1364 8.857,1365 0.305,1366 0.241,1367 9.94,1368 6.986,1369 6.519,1370 0.192,1371 0.122,1372 7.64,1373 4.165,1374 4.829,1375 0.127,1376 0.069,1377 5.854,1378 2.619,1379 3.191,1380 0.082,1381 0.037,1382 3.969,1383 1.431,1384 0.436,1385 62.253,1386 0.284,1387 19.212,1388 0.745,1389 98,1390 274.747,1391 146.469,1392 313.756,1393 415.34,1394 290,1395 112,1396 272.583,1397 148.939,1398 300.981,1399 435.17,1400 278,1401 4.356}
{0 CHEMBL1482663,1 1.563,2 10.375,3 2.74,4 7.509,5 93.382,6 7.373,7 0.615,8 3.888,9 4.024,10 3.449,11 3.37,12 5.056,13 3.36,14 4.379,15 4.578,16 3.814,17 3.75,18 5.453,19 3.729,20 4.566,21 4.743,22 3.859,23 3.892,24 5.695,25 3.837,26 4.776,27 5.038,28 3.715,29 3.846,30 5.784,31 3.741,32 4.575,33 4.852,34 3.423,35 3.633,36 5.528,37 3.501,38 4.329,39 4.605,40 3.326,41 3.422,42 5.243,43 3.342,44 4.068,45 4.25,46 3.462,47 3.399,48 5.308,49 3.375,50 4.317,51 4.561,52 3.32,53 3.438,54 5.423,55 3.374,56 0.103,57 0.696,58 9.254,59 3.556,60 12.419,61 5.007,62 0.241,63 1.049,64 16.777,65 5.789,66 21.859,67 8.415,68 0.183,69 1.228,70 19.56,71 7.185,72 26.022,73 10.265,74 0.499,75 1.241,76 28.018,77 8.456,78 49.564,79 12.835,80 0.318,81 1.003,82 22.978,83 7.342,84 38.926,85 11.052,86 0.252,87 0.796,88 18.257,89 5.254,90 26.335,91 8.098,92 0.151,93 0.796,94 11.784,95 3.61,96 22.242,97 5.486,98 0.274,99 0.863,100 16.91,101 3.863,102 37.748,103 6.376,104 27,105 38,106 0.27,107 0.648,108 0.74,109 0.755,110 0.755,111 0.755,112 3.228,113 0.877,114 -5.39,115 -5.27,116 -4.92,120 38.6,121 3,124 1,125 1,143 4,144 3,146 1,148 1,149 1,159 1,162 1,164 1,165 1,166 1,167 2,174 10,176 3,177 6,179 1,180 1,182 1,185 14,187 1,188 2,189 4,191 1,192 1,194 2,197 11,199 2,200 5,201 4,206 2,209 7,211 2,213 3,214 4,216 1,217 1,219 2,222 4,224 2,227 4,232 1,235 2,237 1,240 9,242 3,243 3,245 3,247 2,249 3,252 10,260 1,264 7,271 1,274 760,275 15.61,276 15.61,277 15.61,278 15.61,279 15.61,280 13.449,281 15.153,282 8.886,283 15.954,284 12.784,285 12.784,286 12.784,287 12.784,288 12.784,289 9.62,290 13.512,291 4.151,292 13.338,293 3.896,294 1.711,295 1.183,296 1.092,297 1.092,298 1.092,299 3.902,305 1,306 1,307 1,308 530,309 3.742,312 55.014,313 150.971,316 104.265,320 1.625,321 17.676,322 1,323 1,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 52,333 249,334 4.599,335 4.047,336 7.111,337 4.315,338 3.315,339 4.566,340 2.413,341 11.658,342 3.314,343 4.449,344 3.538,345 6.68,346 4.091,347 3.141,348 3.898,349 0.413,350 10.75,351 2.982,352 4.116,353 3.148,354 6.019,355 3.741,356 2.767,357 3.458,359 8.546,360 2.697,361 3.701,362 2.777,363 5.621,364 3.257,365 2.338,366 3.13,368 7.256,369 2.142,370 3.271,371 2.316,372 4.688,373 2.828,374 1.849,375 2.463,377 5.048,378 1.808,379 3.049,380 1.853,381 4.428,382 2.471,383 1.552,384 2.323,386 4.003,387 1.424,388 2.784,389 1.553,390 4.132,391 2.379,392 1.415,393 1.866,395 3.702,396 1.358,397 2.686,398 1.414,399 4.077,400 2.178,401 1.225,402 1.73,404 3.398,405 1.163,406 2.5,407 1.249,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.314,416 1,417 3.374,418 1.808,419 0.89,420 1.236,422 2.077,423 0.814,424 1.594,425 0.88,426 3.008,427 1.345,428 0.398,429 0.462,431 0.909,432 0.375,433 0.99,434 -0.021,435 2.706,436 0.541,437 -0.394,438 -0.506,440 -0.968,441 -0.362,442 0.792,443 -0.349,444 2.362,445 0.429,446 -0.534,447 -0.657,449 -1.246,450 -0.517,451 0.722,452 -0.468,453 2.172,454 0.266,455 -0.649,456 -0.847,458 -1.536,459 -0.593,460 0.5,461 -0.536,462 2,464 -1,465 -1,467 -3,468 -1,469 11.233,470 0.468,471 0.813,472 0.034,473 31.75,474 1.323,475 16,476 0.667,477 15.75,478 0.656,479 19.123,480 0.797,481 25.967,482 0.59,483 22.335,484 0.931,485 6.141,486 0.256,487 5.218,488 0.217,489 0.214,490 0.045,491 0.303,496 0.743,497 1.323,498 0.794,499 1.127,500 1.016,501 0.992,502 0.725,503 0.91,504 0.647,505 0.786,506 0.549,507 0.713,508 0.872,509 1.386,510 1.06,511 1.411,512 0.768,513 1.291,514 0.993,515 0.948,516 0.971,517 1.007,518 0.991,519 1.001,520 0.819,521 0.895,522 0.94,523 1.053,524 0.947,525 1.031,526 1.247,527 0.882,528 0.774,529 0.697,530 1.028,531 0.683,532 0.953,533 1.391,534 1.039,535 1.212,536 1.223,537 1.139,538 1.694,539 1.013,540 1.403,541 0.985,542 2.048,543 1.092,544 6,545 0.153,546 4,547 1.882,548 0.916,549 0.851,550 0.51,551 0.287,552 0.181,553 0.188,554 6575,555 16233,556 2.005,557 45.5,558 9,559 7,561 2,562 2,567 1.664,568 1.834,569 3.316,570 0.337,571 1,572 1,574 1,575 68.78,576 1.563,577 3.748,578 4.277,579 4.368,580 4.368,581 4.368,582 2.772,583 3.939,584 4.561,585 3.53,586 974.231,587 7.839,588 11727.6,590 1,592 1,593 240.215,594 1.697,595 4.483,596 0.231,597 0.011,598 0.105,599 0.051,600 0.031,601 0.039,602 0.023,603 0.011,604 0.009,605 0.012,606 0.523,607 0.17,608 1,609 0.854,610 115.411,611 0.16,612 -0.08,613 0.065,614 -0.047,615 -0.099,616 -0.013,617 0.197,618 0.209,619 0.277,620 0.243,621 0.278,622 0.27,623 0.071,624 -0.264,625 -0.162,626 -0.36,627 0.105,628 -0.308,629 0.157,630 -0.04,631 0.04,632 -0.037,633 0.066,634 -0.023,635 0.131,636 -0.009,637 0.061,638 -0.071,639 0.064,640 -0.029,641 -0.095,642 -0.012,643 0.255,644 0.274,645 0.049,646 0.308,647 0.013,648 -0.179,649 -0.131,650 -0.248,651 0.113,652 -0.222,653 -0.448,654 0.072,655 -0.408,656 -0.12,657 -0.559,658 -0.219,659 1.383,660 2.012,661 0.625,662 19.389,663 1.003,664 1.139,665 4.159,666 17.294,667 0.655,668 3.296,669 3.664,670 3.892,671 4.078,672 4.22,673 4.29,674 4.369,675 4.22,676 4.19,677 4.304,678 6.329,679 0.626,680 324.43,681 3.296,682 4.86,683 5.707,684 6.594,685 7.458,686 8.344,687 9.212,688 10.098,689 10.969,690 11.854,691 13.6,692 1,699 1,700 1,701 3,708 2,709 6,710 3,714 3,715 1,716 16,738 44,739 17,740 1,741 26,743 46,744 17,745 11,746 2,747 4,748 1,752 3,753 4,759 3,760 1,768 12,769 5,772 1,781 1,782 1,785 1,786 1,789 20,790 6,791 2,792 7,797 6,799 1,803 0.667,804 1,814 1,817 1,822 1,823 2,826 1,848 1,855 2,859 4,862 24,863 1,872 1,876 1,886 2.3,891 1,893 13.083,894 9.25,895 5.111,896 2.437,898 3.679,899 1.527,900 0.95,901 4.246,902 10.656,903 3.584,904 4.245,905 4.853,906 5.429,907 5.91,908 6.205,909 6.581,910 6.796,911 6.896,912 7.291,913 0.857,914 37,915 8.776,917 3.627,918 7.698,919 16.664,921 13.261,924 2.198,925 52.75,928 1,929 211.88,930 108.245,931 104.308,933 11.219,936 108.245,937 223.099,938 104.308,939 34.872,940 32.897,941 37.905,942 77.82,943 59.005,944 4.815,945 188.338,947 211.88,948 212.553,949 11.219,952 211.88,953 11.219,956 99.931,957 62.388,958 50.234,960 211.88,961 115.526,962 108.245,965 211.88,966 17.802,967 92.22,969 113.75,970 211.88,971 115.526,972 108.245,973 0.601,974 0.344,975 0.166,976 0.082,977 19,978 9,979 0.087,980 4,981 1,982 1.133,983 3.581,984 190.129,985 0.133,986 15,987 101.284,993 16.405,994 6.212,995 3.415,996 1.35,997 113.75,998 10.992,999 12.361,1003 2.342,1004 1.641,1005 32.897,1006 435.651,1007 35,1016 3.983,1017 0.283,1020 44.123,1021 50.106,1022 0.286,1023 0.687,1024 0.783,1025 0.8,1026 0.8,1027 0.8,1028 4.836,1029 1.225,1030 5.753,1031 3.702,1032 4.344,1033 4.931,1034 2.564,1035 6.616,1036 4.268,1037 6.096,1038 1,1039 7.363,1040 3.398,1041 4.205,1042 4.879,1044 7.84,1045 4.126,1046 7.441,1047 0.89,1048 9.086,1049 2.275,1050 6.052,1051 7.218,1052 4.232,1053 10.831,1054 5.926,1055 8.824,1056 0.398,1057 10.876,1058 2.077,1059 6.698,1060 7.975,1062 12.829,1063 6.578,1064 10.237,1065 -0.394,1066 12.706,1067 0.909,1068 8.096,1069 9.819,1070 5.981,1071 15.42,1072 7.942,1073 11.672,1074 -0.534,1075 14.564,1076 -0.968,1077 9.054,1078 10.957,1080 17.688,1081 8.904,1082 13.123,1083 -0.649,1084 16.441,1085 -1.246,1086 10.299,1087 12.597,1088 7.74,1089 20.164,1090 10.128,1091 3.315,1092 -1,1093 18.332,1094 -1.536,1095 11.383,1096 13.923,1098 22.531,1099 11.213,1100 3.141,1101 11.658,1102 20.234,1103 -3,1104 12.576,1105 15.478,1106 9.501,1107 24.974,1108 12.394,1109 2.767,1110 10.75,1111 22.143,1112 4.566,1113 13.712,1114 16.896,1116 27.381,1117 13.528,1118 2.338,1119 8.546,1120 24.059,1121 3.898,1122 14.89,1123 18.418,1124 11.263,1125 29.816,1126 14.699,1127 1.849,1128 7.256,1129 25.98,1130 3.458,1131 16.048,1132 19.882,1134 32.24,1135 15.856,1136 1.552,1137 5.048,1138 27.906,1139 3.13,1140 17.223,1141 21.393,1142 13.024,1143 34.675,1144 17.029,1145 1.415,1146 4.003,1147 29.835,1148 2.463,1149 18.392,1150 22.881,1152 37.107,1153 18.198,1154 6435,1155 10376,1156 16.701,1157 28.819,1158 40.508,1159 42.099,1160 40.797,1161 39.757,1162 39.78,1163 53.263,1164 5.651,1165 119.246,1166 38.156,1167 5.319,1168 6.047,1169 6.641,1170 5.396,1171 5.315,1172 7.566,1173 4.826,1174 18.73,1175 5.314,1176 14.002,1177 1.558,1178 1.619,1179 1.569,1180 1.529,1181 1.53,1182 2.049,1183 0.217,1184 4.586,1185 1.468,1186 4.082,1187 4.134,1188 4.062,1189 3.931,1190 5.253,1191 3.943,1192 3.969,1193 4.001,1194 3.908,1195 3.876,1196 5.105,1197 3.894,1198 3.626,1199 3.687,1200 3.519,1201 3.5,1202 4.686,1203 3.491,1204 3.394,1205 3.471,1206 3.312,1207 3.097,1208 4.672,1209 3.14,1210 3.257,1211 3.348,1212 3.152,1213 3,1214 4.47,1215 3.026,1216 3.026,1217 3.113,1218 2.883,1219 2.823,1220 4.209,1221 2.825,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 3.861,1227 2.715,1228 2.874,1229 3.009,1230 2.591,1231 2.618,1232 3.674,1233 2.57,1234 0.177,1235 0.156,1236 0.274,1237 0.166,1238 0.127,1239 4.599,1240 0.176,1241 4.047,1242 0.093,1243 7.111,1244 0.448,1245 4.315,1246 0.127,1247 3.315,1248 4.566,1249 2.413,1250 11.658,1251 3.314,1252 1.964,1253 1.937,1254 2.091,1255 2.05,1256 1.286,1257 2.062,1258 1.8,1259 1.765,1260 1.859,1261 1.992,1262 0.958,1263 1.954,1264 1.623,1265 1.568,1266 1.837,1267 1.795,1268 0.944,1269 1.809,1270 1.434,1271 1.344,1272 1.659,1273 1.733,1274 0.679,1275 1.711,1276 1.179,1277 1.105,1278 1.417,1279 1.491,1280 0.469,1281 1.47,1282 1.002,1283 0.919,1284 1.417,1285 1.251,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.376,1291 1.239,1292 0.242,1293 1.308,1294 0.934,1295 0.804,1296 1.244,1297 1.239,1298 0.218,1299 1.263,1300 3.97,1302 5.323,1303 2.398,1304 6.86,1305 4.727,1306 8.474,1307 6.823,1308 10.128,1310 8.29,1313 6.012,1318 5.405,1322 0.091,1326 27.531,1327 68.78,1328 164.931,1329 188.176,1330 192.176,1331 192.176,1332 192.176,1333 35.43,1334 6.977,1335 91.21,1336 91.21,1337 17,1338 12.389,1339 4.17,1340 3.322,1341 39.553,1342 93,1343 72,1344 0.211,1345 173.003,1346 286.55,1347 413.887,1348 9760,1350 17.32,1351 0.722,1352 0.591,1353 17.32,1354 14.186,1355 11.359,1356 0.437,1357 0.292,1358 7.476,1359 10.832,1360 7.113,1361 6.047,1362 11.359,1363 7.602,1364 11.106,1365 0.292,1366 0.173,1367 11.106,1368 6.579,1369 8.748,1370 0.182,1371 0.079,1372 8.748,1373 3.77,1374 6.845,1375 0.118,1376 0.04,1377 6.845,1378 2.299,1379 5.076,1380 0.076,1381 0.02,1382 5.076,1383 1.315,1384 0.336,1385 71.828,1386 0.245,1387 23.629,1388 0.562,1389 128,1390 371.273,1391 141.811,1392 364.715,1393 508.44,1394 340,1395 150,1396 399.26,1397 165.532,1398 404.321,1399 580.88,1400 375,1401 5.131}
{0 CHEMBL1482694,1 1.597,2 11.148,3 -0.031,4 0.001,5 99.531,6 7.066,7 0.207,8 4.061,9 4.19,10 3.571,11 3.501,12 5.119,13 3.493,14 4.651,15 4.848,16 3.907,17 3.905,18 5.679,19 3.863,20 4.916,21 5.139,22 3.951,23 4.051,24 5.918,25 3.979,26 4.979,27 5.204,28 3.84,29 4.007,30 6.062,31 3.92,32 4.912,33 5.165,34 3.811,35 3.97,36 5.913,37 3.867,38 4.901,39 5.159,40 3.831,41 3.936,42 6.02,43 3.847,44 4.805,45 5.035,46 3.782,47 3.886,48 5.956,49 3.802,50 4.788,51 5.027,52 3.621,53 3.807,54 5.861,55 3.698,56 0.06,57 0.781,58 11.849,59 4.483,60 8.119,61 6.46,62 0.491,63 1.222,64 23.598,65 7.341,66 35.416,67 11.041,68 0.453,69 1.42,70 31.577,71 9.851,72 55.771,73 14.601,74 0.842,75 1.379,76 35.18,77 9.772,78 106.913,79 14.364,80 0.586,81 1.334,82 32.363,83 9.677,84 68.688,85 14.755,86 0.737,87 1.272,88 32.533,89 9.348,90 97.386,91 14.31,92 0.577,93 1.183,94 28.9,95 9.041,96 87.711,97 13.166,98 0.631,99 1.126,100 28.899,101 8.423,102 85.555,103 12.649,104 18,105 39,106 0.269,107 0.562,108 0.769,109 0.862,110 0.887,111 0.9,112 3.339,113 0.96,114 -1.75,115 -1.82,116 -1.83,120 35.8,122 2,123 1,125 1,126 6,143 4,144 1,145 1,159 2,160 1,174 6,176 2,177 7,180 3,182 1,185 5,189 6,192 1,194 1,197 2,200 2,201 6,204 1,206 1,209 2,213 1,214 3,217 1,218 1,222 3,226 2,227 6,230 1,232 1,235 5,239 2,240 5,243 1,245 2,247 4,251 1,252 3,255 1,257 3,260 1,263 2,264 3,267 1,269 2,274 1180,275 18.284,276 18.284,277 18.284,278 18.284,279 18.284,280 17.142,281 26.164,282 10.842,283 18.726,284 14.215,285 14.215,286 14.215,287 14.215,288 14.215,289 12.275,290 31.656,291 5.02,292 14.762,293 4.131,294 2.393,295 1.169,296 0.618,297 0.467,298 0.392,299 4.02,306 1,307 1,308 636,309 3.391,312 87.101,313 190.691,320 1.931,321 35.541,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 60,333 301,334 4.231,335 3.784,336 6.264,337 3.966,338 2.993,339 3.809,340 1.943,341 9.456,342 2.914,343 4.041,344 3.693,345 6.083,346 3.782,347 2.822,348 3.217,349 1.907,350 8.807,351 2.738,352 3.972,353 3.645,354 6.033,355 3.753,356 2.788,357 3.129,358 1.701,359 8.586,360 2.645,361 3.76,362 3.124,363 5.807,364 3.489,365 2.5,366 2.942,367 0.86,368 7.795,369 2.46,370 2.944,371 2.39,372 4.462,373 2.639,374 1.676,375 2.099,376 0.736,377 4.43,378 1.609,379 2.917,380 2.306,381 4.268,382 2.612,383 1.638,384 2.061,385 0.563,386 4.068,387 1.585,388 2.779,389 2.052,390 4.122,391 2.46,392 1.488,393 1.758,394 0.149,395 3.586,396 1.437,397 2.614,398 1.752,399 4.064,400 2.328,401 1.34,402 1.547,403 0.079,404 3.482,405 1.31,406 2.481,407 1.636,408 3.618,409 2.275,410 1.296,411 1.457,412 0.075,413 2.992,414 1.265,415 2.264,416 1.461,417 3.434,418 2.114,419 1.126,420 1.209,422 2.444,423 1.103,424 1.915,425 1.354,426 3.204,427 1.752,428 0.783,429 0.842,431 1.761,432 0.753,433 1.728,434 1.029,435 2.992,436 1.452,437 0.541,438 0.625,440 0.976,441 0.485,442 1.455,443 0.94,444 2.665,445 1.186,446 0.2,447 0.227,449 0.411,450 0.195,451 1.012,452 0.469,453 2.58,454 0.795,455 -0.166,456 -0.18,458 -0.377,459 -0.158,460 1,461 0.325,462 2.25,463 0.694,464 -0.316,465 -0.385,467 -0.665,468 -0.315,469 12.433,470 0.46,471 0.592,472 0.022,473 29.25,474 1.083,475 11,476 0.407,477 18.25,478 0.676,479 24.41,480 0.904,481 31.367,482 0.592,483 23.025,484 0.853,485 6.01,486 0.223,487 7.07,488 0.262,489 0.121,491 0.306,496 0.744,497 1.661,498 0.823,499 1.331,500 0.514,501 1.117,502 0.795,503 1.068,504 0.949,505 0.994,506 0.544,507 0.989,508 1.001,509 1.121,510 1.019,511 1.14,512 0.978,513 1.083,514 1.458,515 0.975,516 1.254,517 0.996,518 1.639,519 1.082,520 0.874,521 1.01,522 0.957,523 1.023,524 0.941,525 1.01,526 0.85,527 0.835,528 0.859,529 0.857,530 0.784,531 0.851,532 0.967,533 1.004,534 0.967,535 1.073,536 0.971,537 1.033,538 1.103,539 1.108,540 1.096,541 1.094,542 1.288,543 1.106,544 5,545 0.107,546 3.556,547 1.632,548 1.281,549 0.754,550 0.576,551 0.436,552 0.206,553 0.143,554 9216,555 25620,556 2.035,557 49.1,558 2,559 19,562 2,563 3,567 1.699,568 1.906,569 3.455,570 0.304,572 1,575 84.658,576 1.597,577 3.335,578 4.559,579 5.11,580 5.261,581 5.336,582 2.894,583 4.755,584 4.726,585 3.673,586 1289.31,587 8.196,588 17228.1,590 1,593 303.58,594 1.399,595 4.685,596 0.172,597 0.006,598 0.091,599 0.042,600 0.039,601 0.023,602 0.017,603 0.014,604 0.008,605 0.007,606 0.419,607 0.33,608 1,609 0.76,610 135.756,611 -0.05,612 -0.311,613 0.052,614 -0.129,615 -0.003,616 -0.033,617 0.07,618 0.125,619 -0.007,620 0.047,621 0.046,622 0.009,623 -0.093,624 -0.064,625 -0.062,626 -0.115,627 -0.075,628 -0.081,629 -0.211,630 -0.001,631 -0.237,632 -0.033,633 -0.244,634 -0.133,635 0.007,636 -0.031,637 0.011,638 -0.038,639 -0.029,640 -0.018,641 0.108,642 0.11,643 0.128,644 0.106,645 0.157,646 0.128,647 0.043,648 -0.025,649 0.01,650 -0.059,651 0.098,652 -0.035,653 -0.035,654 -0.166,655 -0.105,656 -0.109,657 -0.084,658 -0.126,659 1.754,660 5.488,661 0.63,662 27.078,663 1.008,664 1.14,665 0.522,666 0.272,667 0.627,668 3.401,669 3.689,670 3.932,671 4.094,672 4.22,673 4.22,674 4.263,675 4.29,676 4.357,677 4.394,678 6.949,679 0.599,680 374.49,681 3.401,682 4.92,683 5.753,684 6.603,685 7.449,686 8.302,687 9.153,688 10.007,689 10.861,690 11.715,691 7.5,698 4,709 4,714 2,716 6,735 1,738 53,739 9,740 1,741 29,743 55,744 19,745 6,746 2,747 4,752 3,753 3,757 1,763 2,764 1,766 2,768 9,769 10,770 1,772 3,778 3,782 3,786 1,789 26,790 8,791 2,792 8,797 4,803 1,804 4,822 1,823 2,838 1,839 1,855 3,859 1,862 27,869 8,871 2,872 1,874 1,875 2,886 7.5,889 3,891 1,893 14.167,894 9.483,895 6.111,896 3.188,898 1.219,899 1.173,900 0.943,901 6.828,902 8.274,903 3.584,904 4.016,905 4.404,906 4.708,907 5.055,908 5.051,909 5.155,910 5.267,911 5.46,912 5.567,913 1,914 39,915 10.085,917 4.283,918 7.914,919 19.154,921 15.633,924 2.414,925 65.167,929 282.506,930 88.605,931 42.27,933 86.435,936 88.605,937 368.941,938 42.27,939 10.883,940 59.973,941 37.905,942 84.844,943 19.429,944 4.276,945 282.506,947 282.506,948 130.876,949 86.435,952 282.506,953 86.435,956 59.973,957 70.902,960 282.506,961 128.705,962 88.605,965 282.506,966 39.817,967 55.037,968 36.022,969 86.435,970 282.506,971 128.705,972 88.605,973 0.574,974 0.343,975 0.173,976 0.085,977 17,978 8,979 0.127,980 7,982 1,983 3.933,984 216.896,986 17,987 128.382,993 19.804,994 9.31,995 5.065,997 128.705,998 7.585,1003 1.662,1005 36.022,1006 499.817,1007 35,1013 36.286,1017 -0.096,1020 53.436,1021 60.398,1022 0.279,1023 0.582,1024 0.796,1025 0.892,1026 0.918,1027 0.932,1028 4.824,1029 1.34,1030 5.72,1031 3.586,1032 4.369,1033 4.7,1034 3.054,1035 6.488,1036 4.303,1037 5.964,1038 1.296,1039 7.261,1040 3.482,1041 3.892,1042 4.407,1043 2.477,1044 7.322,1045 3.814,1046 7.235,1047 1.126,1048 8.901,1049 2.992,1050 5.927,1051 6.636,1052 3.904,1053 10.371,1054 5.793,1055 8.536,1056 0.783,1057 10.6,1058 2.444,1059 6.293,1060 7.156,1061 3.982,1062 12.013,1063 6.14,1064 9.87,1065 0.541,1066 12.336,1067 1.761,1068 7.763,1069 8.881,1070 4.998,1071 14.545,1072 7.566,1073 11.225,1074 0.2,1075 14.094,1076 0.976,1077 8.506,1078 9.758,1079 5.355,1080 16.5,1081 8.283,1082 12.594,1083 -0.166,1084 15.868,1085 0.411,1086 9.744,1087 11.289,1088 6.189,1089 18.841,1090 9.484,1091 2.993,1092 -0.316,1093 17.653,1094 -0.377,1095 10.657,1096 12.341,1097 6.682,1098 20.932,1099 10.368,1100 2.822,1101 9.456,1102 19.445,1103 -0.665,1104 11.795,1105 13.785,1106 7.426,1107 23.195,1108 11.474,1109 2.788,1110 8.807,1111 21.242,1112 3.809,1113 12.788,1114 14.936,1115 7.991,1116 25.348,1117 12.436,1118 2.5,1119 8.586,1120 23.042,1121 3.217,1122 13.884,1123 16.335,1124 8.689,1125 27.581,1126 13.502,1127 1.676,1128 7.795,1129 24.846,1130 3.129,1131 14.914,1132 17.548,1133 9.293,1134 29.765,1135 14.502,1136 1.638,1137 4.43,1138 26.651,1139 2.942,1140 15.992,1141 18.922,1142 9.968,1143 31.986,1144 15.551,1145 1.488,1146 4.068,1147 28.458,1148 2.099,1149 17.042,1150 20.176,1151 10.593,1152 34.187,1153 16.571,1154 8967,1155 15045,1156 19.186,1157 33.216,1158 42.822,1159 44.918,1160 44.151,1161 42.334,1162 42.381,1163 49.845,1164 16.028,1165 117.587,1166 40.993,1167 5.231,1168 5.784,1169 5.958,1170 5.024,1171 4.993,1172 6.809,1173 3.352,1174 15.827,1175 4.914,1176 13.494,1177 1.477,1178 1.549,1179 1.522,1180 1.46,1181 1.461,1182 1.719,1183 0.553,1184 4.055,1185 1.414,1186 3.979,1187 4.017,1188 3.909,1189 3.873,1190 7.433,1191 3.875,1192 3.857,1193 3.909,1194 3.777,1195 3.71,1196 7.427,1197 3.717,1198 3.81,1199 3.857,1200 3.725,1201 3.588,1202 7.425,1203 3.613,1204 3.518,1205 3.583,1206 3.428,1207 3.272,1208 4.86,1209 3.296,1210 3.256,1211 3.323,1212 3.109,1213 3.073,1214 4.39,1215 3.071,1216 3.249,1217 3.314,1218 3.064,1219 3.012,1220 4.334,1221 3.01,1222 3.193,1223 3.258,1224 3.023,1225 2.963,1226 4.185,1227 2.971,1228 2.911,1229 2.966,1230 2.78,1231 2.678,1232 4.036,1233 2.67,1234 0.146,1235 0.13,1236 0.216,1237 0.137,1238 0.103,1239 4.231,1240 0.131,1241 3.784,1242 0.067,1243 6.264,1244 0.326,1245 3.966,1246 0.1,1247 2.993,1248 3.809,1249 1.943,1250 9.456,1251 2.914,1252 1.922,1253 1.895,1254 2.051,1255 2.062,1256 1.368,1257 2.059,1258 1.809,1259 1.768,1260 1.971,1261 1.957,1262 1.152,1263 1.961,1264 1.612,1265 1.539,1266 1.844,1267 1.855,1268 1.135,1269 1.853,1270 1.429,1271 1.349,1272 1.7,1273 1.699,1274 0.961,1275 1.701,1276 1.279,1277 1.238,1278 1.573,1279 1.588,1280 0.765,1281 1.54,1282 1.214,1283 1.143,1284 1.509,1285 1.514,1286 0.659,1287 1.531,1288 1.195,1289 1.118,1290 1.451,1291 1.438,1292 0.574,1293 1.466,1294 1.083,1295 1.024,1296 1.324,1297 1.348,1298 0.402,1299 1.353,1300 4.078,1302 5.371,1303 2.398,1304 6.853,1305 4.595,1306 8.42,1307 6.529,1308 10.028,1310 1.605,1315 3.971,1317 5.633,1318 5.352,1320 -0.232,1321 3.401,1326 31.74,1327 84.658,1328 176.777,1329 241.606,1330 270.825,1331 278.825,1332 282.825,1333 65.55,1334 7.055,1335 90.98,1336 90.98,1337 17,1338 12.27,1339 3.322,1340 2.807,1341 47.084,1342 112,1343 98,1344 0.202,1345 196.443,1346 352.6,1347 471.08,1348 11314,1350 19.225,1351 0.712,1352 0.577,1353 19.225,1354 15.571,1355 13.08,1356 0.451,1357 0.32,1358 9.103,1359 12.393,1360 8.926,1361 7.345,1362 13.08,1363 9.284,1364 11.336,1365 0.291,1366 0.175,1367 11.336,1368 6.832,1369 9.678,1370 0.194,1371 0.101,1372 9.678,1373 5.051,1374 7.407,1375 0.126,1376 0.059,1377 7.407,1378 3.504,1379 5.461,1380 0.082,1381 0.034,1382 5.461,1383 2.249,1384 0.322,1385 83.384,1386 0.228,1387 26.306,1388 0.539,1389 136,1390 442.898,1391 153.958,1392 411.514,1393 540.92,1394 384,1395 157,1396 373.469,1397 175.018,1398 372.757,1399 540.63,1400 349,1401 5.023}
{0 CHEMBL1483112,1 1.823,2 9.952,3 4.156,4 17.271,5 95.151,6 10.197,7 0.696,8 3.636,9 3.741,10 3.619,11 3.337,12 4.817,13 3.234,14 4.084,15 4.223,16 4.126,17 3.689,18 5.163,19 3.538,20 4.138,21 4.337,22 3.898,23 3.624,24 5.093,25 3.459,26 4.085,27 4.279,28 3.863,29 3.539,30 5.148,31 3.396,32 4.014,33 4.181,34 3.849,35 3.492,36 5.216,37 3.375,38 3.861,39 4.009,40 3.636,41 3.371,42 5.033,43 3.229,44 3.639,45 3.778,46 3.444,47 3.214,48 4.718,49 3.04,50 3.552,51 3.71,52 3.157,53 3.057,54 4.59,55 2.909,56 0.115,57 0.607,58 3.86,59 3.008,60 8.367,61 3.2,62 0.199,63 0.972,64 19.172,65 6.536,66 10.047,67 5.709,68 0.188,69 0.923,70 18.005,71 6.791,72 12.508,73 7.051,74 0.243,75 0.918,76 21.525,77 6.726,78 15.929,79 5.752,80 0.283,81 0.913,82 14.001,83 4.998,84 19.508,85 3.829,86 0.225,87 0.782,88 15.712,89 5.022,90 15.715,91 3.559,92 0.14,93 0.611,94 12.108,95 4.2,96 9.384,97 3.2,98 0.131,99 0.532,100 10.737,101 3.652,102 8.634,103 2.786,104 5,105 30,106 0.336,107 0.652,108 0.767,109 0.821,110 0.836,111 0.836,112 3.103,113 1.169,114 -4.67,115 -4.58,116 -4.31,120 36.4,121 1,122 1,126 1,143 5,145 1,163 3,167 4,174 5,176 3,177 8,185 7,189 8,197 3,200 2,201 10,209 4,213 4,214 9,222 3,226 2,227 7,235 4,240 6,247 3,252 5,260 3,264 5,271 2,274 586,275 14.715,276 14.715,277 14.715,278 14.715,279 14.715,280 12.811,281 11.112,282 9.177,283 15.534,284 11.38,285 11.38,286 11.38,287 11.38,288 11.38,289 8.592,290 7.729,291 4.357,292 12.857,293 3.221,294 1.504,295 0.882,296 0.591,297 0.508,298 0.508,299 3.786,306 1,307 1,308 448,309 2.55,312 116.937,313 64.109,320 1.483,321 10.652,323 1,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 45,333 209,334 4.402,335 4.587,336 6.516,337 3.961,338 3.048,339 4.069,340 2.95,341 10.246,342 2.808,343 4.101,344 4.393,345 5.67,346 3.524,347 2.718,348 3.72,349 2.95,350 7.936,351 2.185,352 3.67,353 3.278,354 5.256,355 3.175,356 2.256,357 3.187,359 6.514,360 2.071,361 3.226,362 2.771,363 4.825,364 2.763,365 1.94,366 2.413,368 5.401,369 1.561,370 2.91,371 2.618,372 4.023,373 2.449,374 1.491,375 2.083,377 3.434,378 1.422,379 2.592,380 1.811,381 3.531,382 2.303,383 1.373,384 1.624,386 2.736,387 1.254,388 2.5,389 1.406,390 3.408,391 2.058,392 1.129,393 1.5,395 2.492,396 1.03,397 2.426,398 1.17,399 3.337,400 2,401 1,402 1.418,404 2.136,405 1,406 2.269,407 1,408 3.257,409 1.758,410 0.778,411 1.157,413 1.945,414 0.761,415 2.193,416 0.786,417 3.247,418 1.623,419 0.731,420 1.056,422 1.714,423 0.635,424 1.32,425 0.772,426 2.746,427 1.044,428 0.221,429 0.239,431 0.361,432 0.177,433 1.031,434 0.473,435 2.344,436 0.605,437 -0.231,438 -0.284,440 -0.603,441 -0.187,442 0.704,443 0.21,444 2.245,445 0.249,446 -0.693,447 -0.889,449 -1.558,450 -0.639,451 0.5,452 -0.097,453 1.585,455 -0.908,456 -1.036,458 -1.833,459 -0.776,460 0.261,461 -0.656,462 1.555,463 -0.022,464 -1,465 -1.5,467 -2.347,468 -1,469 10.9,470 0.519,471 0.307,472 0.015,473 27.75,474 1.321,475 15,476 0.714,477 12.75,478 0.607,479 16.643,480 0.793,481 21.5,482 0.652,483 15.007,484 0.715,485 4.942,486 0.235,487 5.423,488 0.258,489 0.046,491 0.22,496 0.455,497 0.799,498 0.69,499 0.731,500 0.493,501 0.782,502 0.458,503 1.229,504 0.734,505 1.062,506 0.612,507 0.946,508 0.652,509 1.099,510 0.823,511 0.963,512 0.581,513 0.829,514 1.042,515 1.098,516 0.98,517 0.986,518 0.879,519 0.822,520 1.448,521 1.067,522 1.202,523 1.032,524 1.338,525 0.864,526 1.569,527 1.223,528 1.639,529 1.419,530 1.463,531 1.099,532 1.428,533 1.283,534 1.623,535 1.472,536 1.341,537 1.186,538 1.675,539 1.157,540 1.557,541 1.295,542 1.396,543 1.153,544 3,545 0.041,546 1.556,547 1.132,548 0.521,549 0.466,550 0.263,551 0.126,552 0.11,553 0.055,554 4579,555 14330,556 2.131,557 36.4,558 3,559 7,564 2,567 1.63,568 2.066,569 3.285,570 -0.563,572 1,575 60.161,576 1.823,577 3.541,578 4.162,579 4.453,580 4.537,581 4.537,582 2.761,583 3.916,584 4.359,585 3.401,586 714.149,587 7.46,588 7669.17,590 1,591 1,592 1,593 166.465,594 1.049,595 4.355,596 0.13,597 0.005,598 0.052,599 0.044,600 0.02,601 0.018,602 0.013,603 0.008,604 0.008,605 0.005,606 0.302,607 0.17,608 1,609 1.046,610 95.785,611 0.382,612 0.253,613 0.058,614 0.099,615 0.277,616 0.017,617 0.43,618 -0.202,619 0.304,620 -0.024,621 0.188,622 -0.013,623 0.193,624 -0.18,625 0.228,626 0.079,627 0.217,628 0.221,629 0.039,630 -0.078,631 0.086,632 0.051,633 0.147,634 0.144,635 -0.131,636 0.094,637 -0.152,638 -0.018,639 -0.032,640 -0.034,641 -0.345,642 -0.043,643 -0.421,644 -0.26,645 -0.213,646 -0.223,647 -0.401,648 -0.157,649 -0.361,650 -0.26,651 -0.313,652 -0.248,653 -0.599,654 -0.063,655 -0.476,656 -0.233,657 -0.397,658 -0.256,659 0.982,660 1.181,661 0.762,662 17.034,663 1.015,664 1.121,665 3.435,666 11.8,667 0.766,668 3.178,669 3.434,670 3.689,671 3.951,672 4.025,673 4.06,674 4.174,675 4.22,676 4.22,677 4.19,678 5.68,679 0.705,680 336.51,681 3.178,682 4.673,683 5.501,684 6.354,685 7.204,686 8.067,687 8.926,688 9.794,689 10.657,690 11.526,691 18.2,699 1,701 5,709 5,710 5,713 1,714 4,715 1,716 16,738 33,739 16,740 1,741 23,743 35,744 12,745 9,746 1,747 5,752 3,753 3,759 1,766 1,768 9,769 3,786 1,789 12,790 5,792 9,793 3,797 6,803 1,822 2,823 1,855 3,856 2,857 3,859 1,862 21,869 2,873 2,893 10.167,894 6.367,895 4.806,896 2.063,898 2.967,899 1.443,900 0.976,901 5.093,902 9.661,903 3.466,904 4.025,905 4.595,906 5.179,907 5.465,908 5.705,909 6.13,910 6.454,911 6.719,912 6.931,913 0.857,914 26,915 7.678,917 3.127,918 7.603,919 14.784,921 11.648,924 2.103,925 44.167,926 0.001,929 141.253,930 158.807,931 84.847,935 95.717,936 63.09,937 141.253,938 84.847,939 8.825,940 3.434,941 47.381,942 83.07,943 5.226,945 236.97,947 141.253,948 147.937,950 95.717,952 117.711,953 23.542,956 14.729,957 50.138,958 83.07,959 95.717,960 141.253,961 84.847,962 158.807,965 141.253,966 102.601,967 57.983,969 83.07,970 141.253,971 84.847,972 158.807,973 0.554,974 0.32,975 0.183,976 0.093,977 14,978 5,979 0.171,980 6,982 1,983 3.487,984 154.666,986 16,987 85.484,989 3,993 14.793,994 7.23,995 3.745,997 83.07,998 9.792,999 20.176,1002 1.57,1003 3.443,1004 1.699,1006 384.907,1007 31,1020 33.491,1021 36.995,1022 0.361,1023 0.702,1024 0.825,1025 0.883,1026 0.899,1027 0.899,1028 4.644,1029 1,1030 5.434,1031 2.492,1032 4.111,1033 4.71,1034 3.578,1035 6.184,1036 3.886,1037 5.814,1038 0.778,1039 6.94,1040 2.136,1041 3.434,1042 4.227,1044 6.952,1045 2.993,1046 7.086,1047 0.731,1048 8.552,1049 1.945,1050 5.624,1051 6.85,1052 5.717,1053 10.074,1054 5.168,1055 8.401,1056 0.221,1057 10.231,1058 1.714,1059 5.889,1060 7.326,1062 11.764,1063 5.239,1064 9.754,1065 -0.231,1066 11.956,1067 0.361,1068 7.438,1069 9.272,1070 7.878,1071 14.348,1072 6.775,1073 11.133,1074 -0.693,1075 13.713,1076 -0.603,1077 8.141,1078 10.194,1080 16.404,1081 7.326,1082 12.532,1083 -0.908,1084 15.492,1085 -1.558,1086 9.424,1087 11.844,1088 10.041,1089 18.815,1090 8.581,1091 3.048,1092 -1,1093 17.29,1094 -1.833,1095 10.335,1096 12.988,1098 21.023,1099 9.372,1100 2.718,1101 10.246,1102 19.1,1103 -2.347,1104 11.507,1105 14.5,1106 12.204,1107 23.375,1108 10.502,1109 2.256,1110 7.936,1111 20.921,1112 4.069,1113 12.516,1114 15.759,1116 25.648,1117 11.414,1118 1.94,1119 6.514,1120 22.75,1121 3.72,1122 13.642,1123 17.205,1124 14.368,1125 27.981,1126 12.488,1127 1.491,1128 5.401,1129 24.587,1130 3.187,1131 14.699,1132 18.523,1134 30.282,1135 13.459,1136 1.373,1137 3.434,1138 26.429,1139 2.413,1140 15.808,1141 19.939,1142 16.532,1143 32.609,1144 14.509,1145 1.129,1146 2.736,1147 28.276,1148 2.083,1149 16.888,1150 21.29,1152 34.923,1153 15.51,1154 4471,1155 8142,1156 15.89,1157 25.262,1158 33.623,1159 37.517,1160 34.24,1161 33.515,1162 33.371,1163 44.93,1164 11.8,1165 89.831,1166 29.81,1167 5.206,1168 6.587,1169 6.379,1170 5.197,1171 5.048,1172 7.069,1173 5.9,1174 17.057,1175 4.808,1176 6.135,1177 1.462,1178 1.631,1179 1.489,1180 1.457,1181 1.451,1182 1.953,1183 0.513,1184 3.906,1185 1.296,1186 3.983,1187 4.034,1188 4.367,1189 3.883,1190 5.225,1191 3.867,1192 3.759,1193 3.78,1194 3.982,1195 3.788,1196 4.973,1197 3.676,1198 3.625,1199 3.694,1200 3.734,1201 3.478,1202 4.712,1203 3.438,1204 3.527,1205 3.596,1206 3.564,1207 3.336,1208 4.112,1209 3.34,1210 2.895,1211 2.984,1212 3.144,1213 2.837,1214 3.747,1215 2.719,1216 2.854,1217 2.925,1218 2.908,1219 2.735,1220 3.674,1221 2.715,1222 2.78,1223 2.848,1224 2.687,1225 2.645,1226 3.621,1227 2.626,1228 2.458,1229 2.479,1230 2.671,1231 2.383,1232 3.488,1233 2.308,1234 0.191,1235 0.199,1236 0.283,1237 0.172,1238 0.133,1239 4.402,1240 0.177,1241 4.587,1242 0.128,1243 6.516,1244 0.445,1245 3.961,1246 0.122,1247 3.048,1248 4.069,1249 2.95,1250 10.246,1251 2.808,1252 1.897,1253 1.865,1254 2.011,1255 2.003,1256 1.164,1257 2.007,1258 1.623,1259 1.571,1260 1.887,1261 1.783,1262 1.079,1263 1.837,1264 1.355,1265 1.361,1266 1.309,1267 1.51,1268 0.592,1269 1.49,1270 1.174,1271 1.153,1272 1.282,1273 1.392,1274 0.488,1275 1.347,1276 1.039,1277 0.975,1278 1.181,1279 1.327,1280 0.295,1281 1.296,1282 0.886,1283 0.821,1284 0.993,1285 1.167,1286 0.218,1287 1.163,1288 0.856,1289 0.764,1290 0.892,1291 1.062,1292 0.038,1293 1.107,1294 0.803,1295 0.698,1296 0.777,1297 0.966,1299 1.065,1300 3.85,1302 5.118,1303 3.045,1304 6.569,1305 5.283,1306 8.107,1307 7.261,1308 9.695,1310 2.15,1315 2.181,1319 3.156,1326 23.27,1327 60.161,1328 116.839,1329 137.346,1330 146.955,1331 149.71,1332 149.71,1333 23.692,1334 6.695,1335 69.38,1336 148.22,1337 16,1338 12.071,1339 4.087,1340 3.17,1341 32.268,1342 70,1343 84,1344 0.226,1345 157.365,1346 249.43,1347 375.731,1348 6807,1350 14.493,1351 0.69,1352 0.65,1353 15.554,1354 13.658,1355 10.365,1356 0.451,1357 0.39,1358 6.485,1359 8.771,1360 6.096,1361 5.13,1362 11.635,1363 8.964,1364 8.676,1365 0.289,1366 0.251,1367 10.794,1368 7.527,1369 7.225,1370 0.185,1371 0.146,1372 9.549,1373 5.688,1374 6.117,1375 0.12,1376 0.086,1377 8.605,1378 4.379,1379 4.422,1380 0.08,1381 0.059,1382 6.85,1383 3.238,1384 0.354,1385 77.747,1386 0.251,1387 21.046,1388 0.617,1389 106,1390 346.452,1391 205.21,1392 401.566,1393 555.34,1394 376,1395 122,1396 383.166,1397 194.895,1398 426.695,1399 621.68,1400 398,1401 4.657}
{0 CHEMBL1483248,1 1.757,2 11.741,3 2.531,4 6.408,5 97.558,6 8.32,7 0.393,8 3.92,9 4.025,10 3.542,11 3.357,12 5.246,13 3.386,14 4.389,15 4.535,16 3.887,17 3.695,18 5.815,19 3.717,20 4.559,21 4.708,22 3.986,23 3.795,24 5.951,25 3.824,26 4.701,27 4.86,28 3.988,29 3.767,30 6.151,31 3.801,32 4.673,33 4.852,34 3.776,35 3.638,36 6.059,37 3.659,38 4.564,39 4.768,40 3.731,41 3.581,42 6.143,43 3.563,44 4.499,45 4.733,46 3.524,47 3.537,48 5.811,49 3.47,50 4.383,51 4.622,52 3.494,53 3.437,54 5.618,55 3.404,56 0.278,57 0.654,58 7.728,59 3.734,60 20.614,61 4.374,62 0.588,63 0.944,64 15.022,65 5.833,66 76.921,67 7.449,68 0.636,69 1.08,70 17.805,71 6.498,72 62.505,73 8.041,74 0.874,75 1.116,76 22.006,77 6.817,78 108.027,79 8.552,80 1.11,81 1.007,82 24.172,83 6.019,84 143.754,85 7.426,86 1.09,87 0.944,88 21.654,89 5.715,90 155.343,91 8.125,92 0.798,93 0.874,94 21.112,95 6.165,96 99.97,97 9,98 0.65,99 0.766,100 19.575,101 5.673,102 86.955,103 8.146,104 71,105 39,106 0.302,107 0.711,108 0.833,109 0.874,110 0.874,111 0.874,112 3.339,113 0.85,114 -2.96,115 -2.97,116 -2.86,120 37.8,121 3,126 1,143 3,144 3,145 2,153 2,156 1,159 2,167 2,170 1,174 4,176 2,177 6,180 1,182 5,185 4,188 1,189 10,192 1,193 1,194 5,197 3,201 13,204 4,206 3,209 2,213 1,214 5,217 1,218 1,219 2,222 1,226 4,227 2,230 5,232 3,235 3,239 2,240 1,243 3,245 1,247 3,251 1,252 2,256 1,257 3,260 4,263 2,264 4,267 1,269 3,271 4,274 1118,275 17.474,276 17.474,277 17.474,278 17.474,279 17.474,280 15.3,281 21.059,282 10.192,283 17.858,284 13.68,285 13.68,286 13.68,287 13.68,288 13.68,289 10.322,290 20.101,291 4.657,292 14.152,293 3.735,294 1.351,295 0.645,296 0.406,297 0.406,298 0.406,299 3.995,305 1,306 1,307 1,308 642,309 4.183,312 87.453,313 105.683,320 1.77,321 47.935,323 1,324 1,325 0.83,326 1,327 0.6,329 0.83,330 0.5,331 0.68,332 62,333 317,334 4.614,335 3.781,336 6.891,337 4.238,338 3.252,339 4.336,340 2.612,341 11.389,342 3.203,343 4.357,344 3.752,345 6.156,346 3.903,347 2.927,348 4.077,349 1.674,350 9.036,351 2.853,352 3.964,353 3.549,354 6.049,355 3.576,356 2.58,357 3.488,358 0.98,359 8.413,360 2.557,361 3.891,362 2.953,363 5.752,364 3.443,365 2.479,366 3.205,368 7.568,369 2.384,370 3.345,371 2.861,372 4.888,373 2.942,374 1.982,375 2.509,377 5.27,378 1.882,379 3.127,380 2.089,381 4.822,382 2.712,383 1.736,384 2.29,386 4.758,387 1.691,388 2.993,389 2.015,390 4.267,391 2.549,392 1.575,393 2.117,395 4.029,396 1.528,397 2.908,398 1.926,399 4.082,400 2.223,401 1.246,402 2.004,404 3.179,405 1.216,406 2.609,407 1.813,408 3.79,409 2.182,410 1.231,411 1.587,413 2.901,414 1.161,415 2.412,416 1.394,417 3.352,418 1.934,419 0.964,420 1.257,422 1.99,423 0.923,424 2.066,425 1.315,426 3.033,427 1.691,428 0.7,429 0.925,431 1.371,432 0.683,433 1.393,434 1,435 2.693,436 1.085,437 0.109,438 0.132,440 0.246,441 0.105,442 1.055,443 0.589,444 2.33,445 0.764,446 -0.225,447 -0.246,449 -0.48,450 -0.219,451 1,452 0.477,453 2.311,454 0.579,455 -0.391,456 -0.515,458 -0.897,459 -0.376,460 0.978,461 0.295,462 2.248,463 0.388,464 -0.615,465 -0.748,467 -1.016,468 -0.612,469 12.1,470 0.448,471 0.83,472 0.031,473 35,474 1.296,475 18,476 0.667,477 17,478 0.63,479 20.894,480 0.774,481 30.5,482 0.678,483 29.665,484 1.099,485 7.375,486 0.273,487 5.381,488 0.199,489 0.262,491 0.405,496 0.645,497 1.176,498 0.709,499 1.074,500 0.625,501 0.941,502 0.627,503 1.187,504 0.633,505 1.004,506 0.48,507 0.852,508 0.931,509 1.212,510 0.861,511 1.127,512 0.763,513 0.994,514 1.169,515 1.32,516 1.078,517 1.272,518 1.188,519 1.168,520 1.572,521 1.022,522 1.331,523 0.908,524 1.522,525 1.019,526 0.718,527 0.837,528 1.01,529 0.863,530 0.721,531 0.983,532 0.634,533 0.883,534 0.928,535 0.954,536 0.663,537 1.018,538 0.771,539 0.822,540 0.711,541 0.786,542 0.884,543 0.743,544 6,545 0.193,546 4,547 2.979,548 1.753,549 1.042,550 0.498,551 0.294,552 0.285,553 0.244,554 8291,555 31952,556 1.893,557 40,558 3,559 5,561 1,562 3,563 3,564 3,567 1.698,568 1.705,569 3.506,570 1.055,571 1,572 1,575 79.078,576 1.757,577 4.141,578 4.847,579 5.086,580 5.086,581 5.086,582 2.954,583 4.607,584 4.728,585 3.682,586 1292.33,587 8.194,588 17190.3,590 1,592 1,593 247.133,594 1.579,595 4.637,596 0.214,597 0.009,598 0.103,599 0.071,600 0.045,601 0.034,602 0.017,603 0.012,604 0.011,605 0.01,606 0.526,607 0.33,608 1,609 1.326,610 135.752,611 0.042,612 0.098,613 0.016,614 0.044,615 -0.066,616 0.017,617 0.147,618 -0.07,619 0.211,620 0.077,621 0.17,622 0.15,623 -0.079,624 -0.095,625 -0.001,626 -0.093,627 -0.013,628 -0.034,629 -0.145,630 -0.286,631 -0.141,632 -0.305,633 -0.137,634 -0.241,635 -0.37,636 -0.068,637 -0.31,638 -0.006,639 -0.327,640 -0.121,641 0.243,642 0.162,643 -0.01,644 0.049,645 0.243,646 -0.037,647 0.156,648 0.063,649 0.079,650 0.016,651 0.102,652 0.021,653 0.054,654 0.074,655 0.324,656 0.205,657 -0.007,658 0.325,659 2.614,660 5.283,661 0.407,662 25.342,663 1.035,664 1.137,665 1.732,666 3.001,667 0.646,668 3.367,669 3.689,670 3.932,671 4.127,672 4.205,673 4.205,674 4.078,675 3.951,676 3.989,677 4.06,678 6.945,679 0.646,680 374.39,681 3.367,682 4.905,683 5.746,684 6.621,685 7.484,686 8.364,687 9.234,688 10.117,689 10.991,690 11.876,691 8.9,698 1,699 1,700 1,702 1,709 3,711 1,714 7,716 11,726 1,731 1,734 1,738 45,739 16,740 1,741 28,743 46,744 17,745 10,746 3,747 3,748 3,752 2,753 2,755 1,759 3,768 13,769 4,772 5,775 1,778 4,780 1,781 1,782 2,785 1,786 1,789 18,790 8,791 3,792 10,797 4,803 1,804 6,818 1,822 1,823 1,855 2,859 3,862 27,868 1,869 1,871 1,872 1,886 13.3,888 1,889 2,891 1,892 2,893 15.833,894 9.017,895 6.111,896 2.582,898 2.803,899 1.413,900 0.905,901 6.581,902 9.586,903 3.676,904 4.273,905 4.809,906 5.33,907 5.689,908 5.934,909 6.001,910 5.964,911 6.241,912 6.589,913 0.875,914 42,915 9.975,917 4.24,918 8.389,919 17.742,921 13.589,924 2.889,925 78,928 1,929 176.567,930 98.267,931 57.007,933 154.72,936 98.267,937 331.287,938 57.007,939 32.146,940 22.481,941 28.429,942 125.688,943 56.762,944 5.513,945 164.795,946 50.747,947 176.567,948 155.274,949 154.72,952 141.253,953 139.286,954 50.747,956 82.405,957 58.152,958 14.717,960 176.567,961 211.727,962 98.267,965 176.567,966 34.315,967 69.622,968 34.674,969 171.383,970 176.567,971 211.727,972 98.267,973 0.583,974 0.348,975 0.18,976 0.09,977 16,978 10,979 0.152,980 7,982 1,983 3.73,984 213.358,986 11,987 126.382,993 20.455,994 8.686,995 4.655,997 189.271,998 3.423,1000 2.811,1003 0.924,1005 77.357,1006 486.56,1007 38.5,1010 -0.614,1013 45.787,1015 1.081,1016 3.697,1017 -1.153,1020 46.556,1021 51.156,1022 0.32,1023 0.754,1024 0.883,1025 0.926,1026 0.926,1027 0.926,1028 4.911,1029 1.246,1030 5.759,1031 4.029,1032 4.369,1033 4.959,1034 2.982,1035 6.592,1036 4.315,1037 6.149,1038 1.231,1039 7.349,1040 3.179,1041 4.111,1042 4.966,1043 2.361,1044 7.585,1045 4.054,1046 7.479,1047 0.964,1048 9.042,1049 2.901,1050 5.989,1051 7.186,1052 4.398,1053 10.679,1054 5.893,1055 8.846,1056 0.7,1057 10.791,1058 1.99,1059 6.524,1060 7.99,1061 4.506,1062 12.489,1063 6.426,1064 10.243,1065 0.109,1066 12.577,1067 1.371,1068 7.923,1069 9.728,1070 6.061,1071 15.124,1072 7.796,1073 11.663,1074 -0.225,1075 14.387,1076 0.246,1077 8.803,1078 10.879,1079 6.556,1080 17.275,1081 8.67,1082 13.099,1083 -0.391,1084 16.215,1085 -0.48,1086 10.032,1087 12.438,1088 7.845,1089 19.759,1090 9.877,1091 3.252,1092 -0.615,1093 18.057,1094 -0.897,1095 11.062,1096 13.744,1097 8.548,1098 22.06,1099 10.897,1100 2.927,1101 11.389,1102 19.911,1103 -1.016,1104 12.233,1105 15.233,1106 9.692,1107 24.497,1108 12.05,1109 2.58,1110 9.036,1111 21.773,1112 4.336,1113 13.331,1114 16.611,1115 10.509,1116 26.866,1117 13.135,1118 2.479,1119 8.413,1120 23.644,1121 4.077,1122 14.486,1123 18.072,1124 11.572,1125 29.29,1126 14.274,1127 1.982,1128 7.568,1129 25.521,1130 3.488,1131 15.615,1132 19.485,1133 12.452,1134 31.691,1135 15.39,1136 1.736,1137 5.27,1138 27.405,1139 3.205,1140 16.769,1141 20.938,1142 13.471,1143 34.115,1144 16.528,1145 1.575,1146 4.758,1147 29.293,1148 2.509,1149 17.915,1150 22.368,1151 14.386,1152 36.531,1153 17.66,1154 8513,1155 16883,1156 17.224,1157 29.08,1158 42.355,1159 44.667,1160 44.879,1161 41.555,1162 41.563,1163 55.852,1164 10.533,1165 120.301,1166 40.369,1167 5.419,1168 5.781,1169 6.66,1170 5.271,1171 5.252,1172 7.336,1173 4.612,1174 18.714,1175 5.203,1176 19.105,1177 1.513,1178 1.595,1179 1.603,1180 1.484,1181 1.484,1182 1.995,1183 0.376,1184 4.296,1185 1.442,1186 4.043,1187 4.075,1188 4.01,1189 3.914,1190 7.815,1191 3.932,1192 3.982,1193 4.006,1194 3.952,1195 3.861,1196 7.434,1197 3.873,1198 3.572,1199 3.611,1200 3.545,1201 3.295,1202 7.428,1203 3.315,1204 3.524,1205 3.571,1206 3.431,1207 3.204,1208 6.999,1209 3.253,1210 3.388,1211 3.432,1212 3.297,1213 3.068,1214 6.469,1215 3.123,1216 3.198,1217 3.294,1218 3.026,1219 2.983,1220 4.791,1221 2.989,1222 3.117,1223 3.144,1224 2.973,1225 2.888,1226 4.711,1227 2.912,1228 3.021,1229 3.075,1230 2.868,1231 2.75,1232 4.443,1233 2.775,1234 0.165,1235 0.135,1236 0.246,1237 0.151,1238 0.116,1239 4.614,1240 0.155,1241 3.781,1242 0.093,1243 6.891,1244 0.407,1245 4.238,1246 0.114,1247 3.252,1248 4.336,1249 2.612,1250 11.389,1251 3.203,1252 1.918,1253 1.898,1254 1.996,1255 2.086,1256 1.086,1257 2.044,1258 1.701,1259 1.685,1260 1.848,1261 1.865,1262 0.999,1263 1.844,1264 1.613,1265 1.563,1266 1.783,1267 1.852,1268 0.929,1269 1.828,1270 1.461,1271 1.388,1272 1.77,1273 1.708,1274 0.844,1275 1.725,1276 1.308,1277 1.259,1278 1.468,1279 1.685,1280 0.408,1281 1.609,1282 1.139,1283 1.092,1284 1.299,1285 1.511,1286 0.323,1287 1.47,1288 1.006,1289 0.945,1290 1.226,1291 1.271,1292 0.227,1293 1.275,1294 0.943,1295 0.898,1296 1.197,1297 1.26,1298 0.147,1299 1.246,1300 4.043,1302 5.361,1303 2.398,1304 6.864,1305 4.844,1306 8.454,1307 7.018,1308 10.092,1310 4.919,1314 9.71,1315 0.21,1317 2.242,1318 4.962,1326 29.062,1327 79.078,1328 186.325,1329 218.114,1330 228.869,1331 228.869,1332 228.869,1333 92.765,1334 6.783,1335 149.6,1336 149.6,1337 11,1338 12.411,1339 4.087,1340 3.524,1341 58.671,1342 114,1343 108,1344 0.253,1345 183.861,1346 329.12,1347 440.382,1348 7383,1350 20.137,1351 0.746,1352 0.552,1353 20.137,1354 14.899,1355 12.756,1356 0.456,1357 0.283,1358 7.76,1359 11.956,1360 7.52,1361 6.302,1362 12.756,1363 7.929,1364 11.542,1365 0.296,1366 0.142,1367 11.542,1368 5.545,1369 9.296,1370 0.186,1371 0.075,1372 9.296,1373 3.736,1374 7.458,1375 0.122,1376 0.04,1377 7.458,1378 2.462,1379 5.042,1380 0.076,1381 0.02,1382 5.042,1383 1.351,1384 0.405,1385 82.438,1386 0.241,1387 26.18,1388 0.674,1389 134,1390 552.783,1391 155.524,1392 517.839,1393 672.59,1394 474,1395 156,1396 480.475,1397 176.673,1398 474.79,1399 684.1,1400 442,1401 6.066}
{0 CHEMBL1483331,1 1.44,2 10.143,3 4.405,4 19.403,5 116.254,6 6.677,7 0.355,8 4.161,9 4.283,10 3.787,11 3.755,12 4.987,13 3.665,14 4.796,15 4.989,16 4.065,17 4.186,18 5.764,19 4.071,20 5.141,21 5.389,22 4.136,23 4.37,24 5.955,25 4.206,26 5.199,27 5.461,28 4.119,29 4.349,30 6.031,31 4.159,32 5.174,33 5.439,34 4.187,35 4.32,36 6.035,37 4.141,38 5.163,39 5.394,40 4.205,41 4.351,42 6.126,43 4.198,44 5.238,45 5.474,46 4.055,47 4.37,48 6.213,49 4.214,50 5.195,51 5.465,52 3.783,53 4.303,54 6.001,55 4.107,56 0.101,57 0.873,58 17.631,59 6.732,60 10.123,61 8.809,62 0.308,63 1.513,64 30.947,65 11.235,66 44.567,67 15.323,68 0.385,69 1.963,70 44.856,71 15.663,72 44.556,73 21.345,74 0.484,75 1.981,76 48.412,77 16.717,78 52.513,79 22.456,80 0.509,81 1.935,82 49.762,83 16.495,84 53.153,85 21.346,86 0.466,87 1.945,88 51.658,89 16.688,90 58.751,91 20.754,92 0.566,93 1.984,94 50.646,95 16.981,96 79.501,97 22.053,98 0.413,99 1.875,100 43.555,101 16.256,102 59.965,103 22.542,104 5,105 43,106 0.234,107 0.45,108 0.618,109 0.727,110 0.772,111 0.81,112 3.375,113 1.205,114 -4.81,115 -4.72,116 -4.43,120 38.3,122 6,126 6,128 1,143 7,144 2,145 1,174 13,176 1,177 4,185 14,188 1,189 6,197 10,200 2,201 4,209 4,213 2,214 10,222 1,227 14,240 12,247 8,252 6,260 14,264 3,271 13,274 1262,275 19.093,276 19.093,277 19.093,278 19.093,279 19.093,280 17.563,281 17.849,282 11.522,283 19.576,284 15.364,285 15.364,286 15.364,287 15.364,288 15.364,289 13.005,290 21.095,291 5.534,292 16.186,293 4.467,294 3.142,295 2.111,296 1.446,297 1.167,298 0.933,299 4.074,306 1,307 1,308 622,309 3.674,313 356.593,317 134.855,320 1.439,321 27.206,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 59,333 284,334 4.864,335 5.251,336 7.317,337 4.281,338 3.41,339 4.733,340 2.95,341 12.559,342 2.991,343 4.338,344 3.192,345 6.181,346 3.85,347 2.875,348 4.235,349 0.8,350 9.209,351 2.778,352 3.84,353 2.914,354 6.121,355 3.721,356 2.776,357 2.857,358 0.8,359 8.968,360 2.583,361 3.438,362 2.754,363 5.322,364 3.365,365 2.436,366 2.562,368 6.886,369 2.263,370 3.24,371 2.588,372 4.897,373 2.818,374 1.84,375 2.435,377 5.209,378 1.796,379 3.118,380 1.785,381 4.426,382 2.652,383 1.665,384 2.427,386 4.371,387 1.637,388 2.852,389 1.618,390 4.305,391 2.618,392 1.618,393 2.006,395 4.114,396 1.618,397 2.778,398 1.502,399 3.624,400 2.412,401 1.434,402 1.781,404 3.05,405 1.398,406 2.435,407 1.459,408 3.6,409 2.331,410 1.34,411 1.434,413 2.961,414 1.324,415 2.159,416 1.147,417 3.478,418 1.984,419 1.019,420 1.049,422 2.508,423 0.983,424 2.05,425 1.077,426 3.247,427 1.984,428 1,429 1,431 2.136,432 0.983,433 2,434 1.077,435 3.247,436 1.984,437 1,438 1,440 2.136,441 0.981,442 2,443 0.892,444 3.214,445 1.654,446 0.658,447 0.975,449 1.542,450 0.655,451 1.032,452 0.558,453 3.071,454 0.874,455 -0.072,456 -0.075,458 -0.198,459 -0.067,460 1,461 0.012,462 2.695,463 0.53,464 -0.442,465 -0.543,467 -1.093,468 -0.419,469 13.8,470 0.493,471 0.642,472 0.023,473 30.5,474 1.089,475 13,476 0.464,477 17.5,478 0.625,479 29.448,480 1.052,481 31.8,482 0.53,483 21.347,484 0.762,485 5.095,486 0.182,487 8.521,488 0.304,489 0.048,490 0.06,491 0.203,496 0.507,497 1.405,498 0.937,499 1.267,500 0.595,501 1.105,502 0.908,503 1.167,504 1.073,505 1.078,506 0.53,507 1.065,508 1.04,509 0.997,510 1.053,511 1.015,512 0.845,513 1.004,514 1.022,515 1.04,516 1.022,517 1.033,518 1.077,519 0.999,520 1.208,521 0.953,522 1.088,523 0.98,524 1.238,525 0.862,526 1.755,527 1.081,528 1.451,529 1.215,530 1.771,531 0.991,532 1.983,533 0.994,534 1.297,535 1.066,536 2.202,537 1.035,538 1.217,539 0.978,540 0.955,541 0.944,542 1.374,543 1.053,544 5.5,545 0.058,546 3.111,547 1.563,548 1.658,549 1.208,550 0.593,551 0.422,552 0.233,553 0.134,554 9637,555 18454,556 2.128,557 53.3,558 4,559 20,564 8,567 1.716,568 2.036,569 3.293,570 -0.813,572 1,575 86.372,576 1.44,577 2.765,578 3.796,579 4.461,580 4.74,581 4.974,582 2.71,583 4.012,584 4.78,585 3.454,586 1305.45,587 8.345,588 17064.7,590 1,593 354.413,594 1.299,595 4.752,596 0.177,597 0.003,598 0.072,599 0.036,600 0.043,601 0.029,602 0.013,603 0.01,604 0.007,605 0.005,606 0.397,607 0.33,608 1,609 0.444,610 139.015,611 0.161,612 -0.141,613 0.222,614 -0.028,615 -0.089,616 0.028,617 0.08,618 0.001,619 -0.032,620 -0.025,621 0.227,622 -0.039,623 -0.044,624 0.053,625 -0.017,626 -0.004,627 0.021,628 -0.015,629 0.081,630 -0.049,631 0.042,632 -0.019,633 0.023,634 -0.022,635 0.084,636 0.057,637 0.121,638 0.09,639 0.038,640 0.108,641 -0.133,642 -0.022,643 -0.093,644 -0.055,645 -0.035,646 -0.003,647 -0.255,648 -0.011,649 -0.201,650 -0.059,651 -0.188,652 -0.076,653 -0.143,654 -0.06,655 -0.126,656 -0.052,657 -0.146,658 -0.089,659 4.236,660 6.325,661 0.786,662 24.291,663 0.986,664 1.126,665 3.581,666 12.823,667 0.65,668 3.466,669 3.784,670 4.025,671 4.263,672 4.522,673 4.533,674 4.644,675 4.7,676 4.796,677 4.718,678 6.131,679 0.593,680 400.64,681 3.466,682 5.004,683 5.844,684 6.718,685 7.577,686 8.458,687 9.326,688 10.21,689 11.082,690 11.968,691 3.3,694 2,708 2,709 7,714 1,716 11,738 60,739 13,740 2,741 31,743 63,744 23,745 10,746 3,747 7,752 4,753 5,763 6,766 7,768 10,769 13,772 2,776 1,778 2,786 1,789 32,790 4,792 5,793 1,797 2,803 0.75,804 2,823 4,827 1,851 2,855 3,857 1,862 28,865 1,869 12,874 1,875 2,886 3.3,889 2,893 13.75,894 10.317,895 6.097,896 4.087,898 2.214,899 1.305,900 0.991,901 6.349,902 9.461,903 3.676,904 4.241,905 4.721,906 5.242,907 5.817,908 6.119,909 6.503,910 6.755,911 7.095,912 6.863,913 0.857,914 43,915 10.715,917 4.82,918 7.545,919 21.152,921 18.584,924 2.045,925 57.25,927 1,928 1,929 376.675,930 105.712,931 6.249,933 44.313,935 6.046,936 99.666,937 420.988,938 6.249,940 26.635,941 72.38,942 44.313,943 12.945,945 376.675,947 376.675,948 105.914,949 44.313,950 6.046,952 282.506,953 138.482,956 32.884,957 73.03,958 6.046,960 376.675,961 50.562,962 105.712,964 6.046,965 376.675,966 33.332,967 72.582,969 44.313,970 376.675,971 50.562,972 105.712,973 0.578,974 0.33,975 0.177,976 0.102,977 21,978 8,979 0.095,980 6,981 1,982 1.091,983 3.969,984 246.542,985 0.091,986 22,987 124.606,992 1,993 19.882,994 8.942,995 4.964,996 2.08,997 50.562,998 13.531,1003 0.465,1006 532.949,1007 38.5,1011 -3.319,1013 26.651,1020 59.189,1021 67.563,1022 0.244,1023 0.468,1024 0.643,1025 0.755,1026 0.802,1027 0.842,1028 4.925,1029 1.434,1030 5.838,1031 4.114,1032 4.466,1033 4.927,1034 3.012,1035 6.663,1036 4.358,1037 6.116,1038 1.34,1039 7.407,1040 3.05,1041 4.111,1042 4.977,1043 0.57,1044 7.825,1045 3.821,1046 7.448,1047 1.019,1048 9.097,1049 2.961,1050 6.111,1051 7.207,1052 5.033,1053 10.866,1054 5.836,1055 8.827,1056 1,1057 10.866,1058 2.508,1059 6.621,1060 8.154,1061 0.479,1062 12.895,1063 6.127,1064 10.253,1065 1,1066 12.688,1067 2.136,1068 8.106,1069 9.928,1070 7.185,1071 15.535,1072 7.612,1073 11.711,1074 0.658,1075 14.546,1076 2.136,1077 9.002,1078 11.23,1079 0.346,1080 17.875,1081 8.298,1082 13.194,1083 -0.072,1084 16.432,1085 1.542,1086 10.294,1087 12.851,1088 9.348,1089 20.416,1090 9.549,1091 3.41,1092 -0.442,1093 18.337,1094 -0.198,1095 11.362,1096 14.291,1097 0.237,1098 22.869,1099 10.43,1100 2.875,1101 12.559,1102 20.258,1103 -1.093,1104 12.586,1105 15.857,1106 11.511,1107 25.391,1108 11.575,1109 2.776,1110 9.209,1111 22.19,1112 4.733,1113 13.731,1114 17.352,1115 0.158,1116 27.888,1117 12.551,1118 2.436,1119 8.968,1120 24.132,1121 4.235,1122 14.937,1123 18.9,1124 13.675,1125 30.409,1126 13.651,1127 1.84,1128 6.886,1129 26.083,1130 2.857,1131 16.117,1132 20.419,1133 0.104,1134 32.925,1135 14.675,1136 1.665,1137 5.209,1138 28.039,1139 2.562,1140 17.322,1141 21.96,1142 15.838,1143 35.449,1144 15.756,1145 1.618,1146 4.371,1147 30.001,1148 2.435,1149 18.521,1150 23.491,1151 0.068,1152 37.972,1153 16.804,1154 9056,1155 12745,1156 21.148,1157 38.989,1158 45.935,1159 48.134,1160 46.423,1161 46.313,1162 46.142,1163 56.99,1164 9.1,1165 131.299,1166 43.977,1167 5.864,1168 7.251,1169 7.119,1170 5.4,1171 5.41,1172 7.733,1173 5.9,1174 20.03,1175 4.991,1176 8.897,1177 1.482,1178 1.553,1179 1.498,1180 1.494,1181 1.488,1182 1.838,1183 0.294,1184 4.235,1185 1.419,1186 4.162,1187 4.157,1188 4.744,1189 4.163,1190 7.714,1191 4.1,1192 3.936,1193 3.986,1194 3.966,1195 3.871,1196 6.999,1197 3.814,1198 3.824,1199 3.87,1200 3.772,1201 3.714,1202 4.884,1203 3.681,1204 3.786,1205 3.802,1206 3.648,1207 3.644,1208 4.393,1209 3.632,1210 3.426,1211 3.488,1212 3.284,1213 3.313,1214 4.273,1215 3.298,1216 3.276,1217 3.31,1218 3.216,1219 3.153,1220 4.254,1221 3.12,1222 3.111,1223 3.206,1224 2.907,1225 2.941,1226 3.865,1227 2.916,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.839,1233 2.91,1234 0.157,1235 0.169,1236 0.236,1237 0.138,1238 0.11,1239 4.864,1240 0.153,1241 5.251,1242 0.095,1243 7.317,1244 0.405,1245 4.281,1246 0.096,1247 3.41,1248 4.733,1249 2.95,1250 12.559,1251 2.991,1252 2.099,1253 2.097,1254 2.149,1255 2.144,1256 1.471,1257 2.172,1258 1.888,1259 1.85,1260 2.081,1261 2.061,1262 1.392,1263 2.074,1264 1.799,1265 1.738,1266 2.034,1267 1.98,1268 1.343,1269 2.003,1270 1.722,1271 1.713,1272 1.777,1273 1.815,1274 1.19,1275 1.877,1276 1.439,1277 1.384,1278 1.627,1279 1.591,1280 0.86,1281 1.622,1282 1.22,1283 1.192,1284 1.513,1285 1.397,1286 0.825,1287 1.435,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.825,1293 1.429,1294 1.153,1295 1.064,1296 1.383,1297 1.376,1298 0.64,1299 1.429,1300 4.143,1302 5.46,1304 6.982,1306 8.59,1308 10.241,1315 12.824,1320 0.092,1321 4.926,1326 35.561,1327 86.372,1328 165.895,1329 227.768,1330 267.659,1331 284.413,1332 298.413,1333 55.566,1334 7.247,1335 40.62,1336 49,1337 24,1338 12.503,1339 3.807,1340 3.087,1341 42.129,1342 101,1343 100,1344 0.198,1345 219.896,1346 380.11,1347 528.306,1348 12730,1350 19.399,1351 0.693,1352 0.626,1353 19.649,1354 17.54,1355 13.616,1356 0.439,1357 0.402,1358 10.854,1359 12.526,1360 10.488,1361 8.649,1362 14.437,1363 12.45,1364 12.405,1365 0.288,1366 0.243,1367 13.706,1368 10.436,1369 10.11,1370 0.184,1371 0.147,1372 11.188,1373 8.112,1374 8.325,1375 0.119,1376 0.09,1377 9.343,1378 6.305,1379 6.99,1380 0.077,1381 0.056,1382 8.04,1383 5.058,1384 0.306,1385 92.095,1386 0.217,1387 26.485,1388 0.563,1389 148,1390 339.622,1391 192.796,1392 351.804,1393 479.15,1394 326,1395 172,1396 323.645,1397 225.308,1398 362.853,1399 528.05,1400 341,1401 4.855}
{0 CHEMBL1483594,1 1.563,2 10.375,3 3.349,4 11.212,5 91.151,6 7.276,7 0.423,8 3.906,9 4.024,10 3.449,11 3.397,12 5.017,13 3.387,14 4.437,15 4.602,16 3.816,17 3.776,18 5.501,19 3.757,20 4.683,21 4.856,22 3.835,23 3.898,24 5.836,25 3.832,26 4.78,27 5.039,28 3.683,29 3.834,30 5.783,31 3.724,32 4.59,33 4.84,34 3.566,35 3.662,36 5.577,37 3.578,38 4.45,39 4.658,40 3.52,41 3.516,42 5.542,43 3.481,44 4.34,45 4.509,46 3.474,47 3.481,48 5.491,49 3.455,50 4.389,51 4.608,52 3.357,53 3.478,54 5.472,55 3.391,56 0.062,57 0.649,58 9.608,59 4.145,60 8.734,61 5.374,62 0.211,63 0.995,64 18.002,65 6.729,66 26.082,67 8.997,68 0.579,69 1.186,70 23.975,71 8.503,72 53.682,73 11.369,74 0.568,75 1.21,76 28.63,77 9.206,78 59.447,79 13.396,80 0.316,81 1.021,82 23.192,83 7.336,84 36.675,85 10.701,86 0.399,87 0.845,88 20.327,89 6.127,90 39.222,91 8.214,92 0.393,93 0.787,94 17.673,95 5.423,96 43.464,97 6.947,98 0.268,99 0.844,100 18.479,101 5.969,102 36.762,103 8.456,104 18,105 37,106 0.271,107 0.624,108 0.764,109 0.816,110 0.816,111 0.816,112 3.228,113 0.904,114 -3.08,115 -3.07,116 -2.96,120 40,121 3,124 1,126 1,128 1,143 5,144 1,145 2,152 1,153 1,156 1,159 1,170 1,174 8,177 2,180 1,182 2,185 10,188 3,189 5,192 2,197 8,200 2,201 4,204 1,205 1,206 1,209 3,213 1,214 5,219 2,227 7,230 1,232 2,240 6,243 1,245 2,252 7,255 1,257 3,264 4,269 1,271 1,274 836,275 15.764,276 15.764,277 15.764,278 15.764,279 15.764,280 14.145,281 17.655,282 9.217,283 16.095,284 12.84,285 12.84,286 12.84,287 12.84,288 12.84,289 10.335,290 18.66,291 4.39,292 13.376,293 3.929,294 1.89,295 1.087,296 0.784,297 0.784,298 0.784,299 3.905,305 1,306 1,307 1,308 530,309 3.808,312 73.994,313 129.999,317 110.742,320 1.792,321 22.747,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52.5,333 249,334 4.492,335 3.784,336 7.119,337 4.328,338 3.331,339 4.011,340 2.014,341 11.709,342 3.322,343 4.142,344 3.552,345 6.247,346 3.884,347 2.944,348 3.543,349 0.878,350 9.409,351 2.762,352 3.971,353 3.158,354 5.898,355 3.568,356 2.591,357 3.385,358 0.86,359 8.153,360 2.518,361 3.837,362 2.619,363 5.352,364 3.488,365 2.52,366 3.055,368 6.996,369 2.433,370 3.03,371 2.285,372 4.648,373 2.654,374 1.687,375 2.131,377 4.881,378 1.624,379 2.946,380 2.11,381 4.426,382 2.557,383 1.632,384 2.054,386 4.361,387 1.506,388 2.901,389 1.795,390 4.175,391 2.446,392 1.485,393 2.02,395 3.776,396 1.415,397 2.572,398 1.595,399 3.549,400 2.234,401 1.259,402 1.552,404 2.824,405 1.217,406 2.323,407 1.082,408 3.297,409 1.794,410 0.826,411 1.126,413 1.862,414 0.79,415 2.118,416 1.058,417 3.066,418 1.571,419 0.648,420 0.927,422 1.544,423 0.591,424 1.905,425 0.618,426 3,427 1.567,428 0.618,429 0.799,431 1.372,432 0.585,433 1.138,434 0.491,435 2.844,436 0.729,437 -0.245,438 -0.306,440 -0.58,441 -0.234,442 0.868,443 0.148,444 2.522,445 0.517,446 -0.429,447 -0.516,449 -1.069,450 -0.399,451 0.795,452 -0.105,453 2.264,454 0.435,455 -0.517,456 -0.631,458 -1.492,459 -0.488,460 0.279,461 -0.649,462 2.202,464 -1,465 -1,467 -2.667,468 -1,469 11.2,470 0.467,471 0.74,472 0.031,473 29.25,474 1.219,475 14,476 0.583,477 15.25,478 0.635,479 20.126,480 0.839,481 26.6,482 0.591,483 20.664,484 0.861,485 5.761,486 0.24,487 5.671,488 0.236,489 0.164,490 0.045,491 0.268,496 0.798,497 1.234,498 0.803,499 1.151,500 0.673,501 1,502 1.014,503 1.122,504 0.807,505 1.012,506 0.691,507 0.893,508 1.028,509 1.154,510 1.168,511 1.239,512 1.01,513 1.239,514 0.795,515 0.899,516 0.879,517 0.925,518 0.892,519 0.922,520 0.938,521 1.042,522 0.89,523 1.009,524 0.914,525 0.945,526 1.669,527 0.968,528 1.05,529 0.914,530 1.314,531 0.887,532 1.958,533 1.053,534 1.279,535 0.996,536 1.964,537 1.026,538 1.135,539 1.284,540 1.134,541 1.256,542 1.384,543 1.207,544 6,545 0.078,546 3.111,547 1.347,548 1.232,549 0.865,550 0.517,551 0.417,552 0.14,553 0.117,554 6701,555 16811,556 2.03,557 46.7,558 9,559 8,560 1,561 1,562 2,567 1.665,568 1.882,569 3.351,570 0.296,571 1,572 1,574 1,575 70.326,576 1.563,577 3.602,578 4.405,579 4.708,580 4.708,581 4.708,582 2.757,583 4.054,584 4.555,585 3.554,586 980.859,587 7.841,588 11840,590 1,592 1,593 247.133,594 1.601,595 4.498,596 0.231,597 0.006,598 0.084,599 0.04,600 0.042,601 0.033,602 0.021,603 0.017,604 0.007,605 0.008,606 0.489,607 0.33,608 1,609 0.813,610 115.538,611 -0.001,612 -0.009,613 0.054,614 -0.047,615 -0.067,616 0.005,617 -0.012,618 -0.028,619 0.124,620 0.034,621 0.046,622 0.095,623 0.156,624 -0.11,625 -0.207,626 -0.227,627 0.048,628 -0.279,629 0.162,630 0.022,631 0.12,632 0.033,633 0.08,634 0.06,635 0.018,636 -0.088,637 0.102,638 -0.055,639 0.034,640 0.028,641 -0.172,642 -0.035,643 -0.002,644 0.034,645 -0.003,646 0.042,647 -0.307,648 -0.059,649 -0.242,650 -0.032,651 -0.2,652 -0.118,653 -0.057,654 -0.303,655 -0.15,656 -0.289,657 -0.023,658 -0.248,659 2.062,660 5.178,661 0.625,662 22.472,663 1.005,664 1.13,665 1.847,666 3.411,667 0.65,668 3.296,669 3.638,670 3.829,671 4.007,672 4.19,673 4.304,674 4.407,675 4.394,676 4.511,677 4.419,678 6.384,679 0.621,680 327.42,681 3.296,682 4.844,683 5.673,684 6.547,685 7.396,686 8.271,687 9.128,688 10.005,689 10.868,690 11.746,691 6.7,698 1,699 1,700 1,709 6,711 1,714 4,716 11,735 2,738 45,739 13,740 1,741 26,743 47,744 18,745 10,746 3,747 3,748 1,752 3,753 4,755 1,759 3,760 1,763 1,766 1,768 12,769 6,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 21,790 5,791 2,792 6,797 3,803 0.667,804 3,818 1,822 1,823 2,827 1,855 2,859 3,862 24,869 1,871 1,872 2,874 1,876 1,886 6.7,889 1,891 2,893 12.75,894 8.867,895 5.139,896 2.547,898 2.356,899 1.338,900 0.942,901 4.739,902 9.319,903 3.541,904 4.09,905 4.571,906 5.04,907 5.387,908 5.635,909 5.853,910 5.934,911 6.229,912 6.237,913 0.857,914 34,915 8.871,917 3.739,918 7.767,919 16.81,921 13.575,924 2.267,925 54.417,928 1,929 223.651,930 117.678,931 51.337,933 47.145,936 117.678,937 270.796,938 51.337,939 26.476,940 22.481,941 56.429,942 50.668,943 69.121,944 14.528,945 200.109,947 223.651,948 169.015,949 47.145,952 223.651,953 47.145,956 82.405,957 77.562,958 9.047,960 223.651,961 98.481,962 117.678,965 223.651,966 25.726,967 91.952,968 34.674,969 63.808,970 223.651,971 98.481,972 117.678,973 0.593,974 0.327,975 0.156,976 0.079,977 18,978 8,979 0.085,980 4,981 1,982 1.133,983 3.655,984 187.484,985 0.133,986 15,987 105.284,993 16.743,994 6.793,995 4.065,997 81.696,998 11.309,1000 2.967,1003 3.163,1005 34.674,1006 439.81,1007 33.5,1013 12.178,1015 1.535,1016 3.91,1017 -0.343,1020 45.24,1021 50.86,1022 0.285,1023 0.656,1024 0.802,1025 0.857,1026 0.857,1027 0.857,1028 4.794,1029 1.259,1030 5.7,1031 3.776,1032 4.317,1033 4.775,1034 2.385,1035 6.526,1036 4.242,1037 6.007,1038 0.826,1039 7.283,1040 2.824,1041 4.111,1042 4.575,1043 1.593,1044 7.695,1045 4.048,1046 7.319,1047 0.648,1048 8.98,1049 1.862,1050 5.989,1051 6.879,1052 3.276,1053 10.661,1054 5.861,1055 8.665,1056 0.618,1057 10.746,1058 1.544,1059 6.581,1060 7.467,1061 3.158,1062 12.626,1063 6.474,1064 10.043,1065 -0.245,1066 12.558,1067 1.372,1068 7.987,1069 9.257,1070 4.461,1071 15.201,1072 7.835,1073 11.44,1074 -0.429,1075 14.4,1076 -0.58,1077 8.91,1078 10.208,1079 4.687,1080 17.458,1081 8.775,1082 12.854,1083 -0.517,1084 16.264,1085 -1.069,1086 10.155,1087 11.777,1088 5.758,1089 19.93,1090 9.995,1091 3.331,1092 -1,1093 18.146,1094 -1.492,1095 11.22,1096 12.913,1097 6.17,1098 22.3,1099 11.072,1100 2.944,1101 11.709,1102 20.04,1103 -2.667,1104 12.411,1105 14.379,1106 7.101,1107 24.748,1108 12.254,1109 2.591,1110 9.409,1111 21.945,1112 4.011,1113 13.539,1114 15.615,1115 7.621,1116 27.165,1117 13.39,1118 2.52,1119 8.153,1120 23.859,1121 3.543,1122 14.717,1123 17.032,1124 8.466,1125 29.611,1126 14.567,1127 1.687,1128 6.996,1129 25.78,1130 3.385,1131 15.875,1132 18.325,1133 9.053,1134 32.049,1135 15.731,1136 1.632,1137 4.881,1138 27.707,1139 3.055,1140 17.053,1141 19.719,1142 9.844,1143 34.498,1144 16.912,1145 1.485,1146 4.361,1147 29.639,1148 2.131,1149 18.226,1150 21.045,1151 10.473,1152 36.946,1153 18.091,1154 6515,1155 10501,1156 16.989,1157 29.233,1158 40.129,1159 40.449,1160 38.939,1161 39.025,1162 39.084,1163 49.205,1164 7.505,1165 113.773,1166 37.524,1167 5.437,1168 5.784,1169 6.777,1170 5.47,1171 5.331,1172 7.011,1173 3.615,1174 18.719,1175 5.322,1176 12.311,1177 1.543,1178 1.556,1179 1.498,1180 1.501,1181 1.503,1182 1.893,1183 0.289,1184 4.376,1185 1.443,1186 4.005,1187 4.03,1188 3.952,1189 3.913,1190 7.429,1191 3.916,1192 3.933,1193 3.98,1194 3.871,1195 3.793,1196 4.956,1197 3.806,1198 3.701,1199 3.738,1200 3.613,1201 3.523,1202 4.913,1203 3.535,1204 3.517,1205 3.572,1206 3.412,1207 3.349,1208 4.543,1209 3.358,1210 3.242,1211 3.319,1212 3.126,1213 2.983,1214 4.413,1215 3.012,1216 2.944,1217 3.009,1218 2.843,1219 2.725,1220 4.202,1221 2.728,1222 2.874,1223 3.009,1224 2.757,1225 2.676,1226 4.075,1227 2.704,1228 2.874,1229 2.976,1230 2.499,1231 2.618,1232 3.483,1233 2.57,1234 0.173,1235 0.146,1236 0.274,1237 0.166,1238 0.128,1239 4.492,1240 0.154,1241 3.784,1242 0.077,1243 7.119,1244 0.45,1245 4.328,1246 0.128,1247 3.331,1248 4.011,1249 2.014,1250 11.709,1251 3.322,1252 1.953,1253 1.934,1254 2.077,1255 2.064,1256 1.285,1257 2.063,1258 1.657,1259 1.618,1260 1.848,1261 1.88,1262 1.037,1263 1.866,1264 1.583,1265 1.535,1266 1.718,1267 1.791,1268 0.851,1269 1.776,1270 1.464,1271 1.416,1272 1.656,1273 1.657,1274 0.75,1275 1.656,1276 1.441,1277 1.385,1278 1.631,1279 1.603,1280 0.623,1281 1.623,1282 1.015,1283 0.942,1284 1.417,1285 1.366,1286 0.469,1287 1.341,1288 0.934,1289 0.811,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.237,1297 1.239,1298 0.199,1299 1.308,1300 3.97,1302 5.303,1303 2.398,1304 6.815,1305 4.443,1306 8.408,1307 6.26,1308 10.047,1310 6.369,1315 0.158,1317 2.472,1318 11.432,1320 -0.728,1322 -0.006,1326 27.95,1327 70.326,1328 162.098,1329 198.24,1330 211.849,1331 211.849,1332 211.849,1333 42.149,1334 6.963,1335 75.71,1336 75.71,1337 17,1338 12.287,1339 3.807,1340 3.087,1341 39.472,1342 91,1343 86,1344 0.211,1345 173.132,1346 301.97,1347 414.203,1348 9471,1350 17.156,1351 0.715,1352 0.583,1353 17.156,1354 13.998,1355 11.432,1356 0.44,1357 0.301,1358 7.709,1359 10.915,1360 7.412,1361 6.22,1362 11.432,1363 7.836,1364 11.028,1365 0.298,1366 0.181,1367 11.028,1368 6.689,1369 8.43,1370 0.187,1371 0.084,1372 8.43,1373 3.762,1374 6.497,1375 0.12,1376 0.043,1377 6.497,1378 2.33,1379 4.852,1380 0.075,1381 0.022,1382 4.852,1383 1.424,1384 0.334,1385 72.3,1386 0.243,1387 23.761,1388 0.564,1389 126,1390 383.517,1391 140.794,1392 363.169,1393 493.66,1394 340,1395 145,1396 364.526,1397 161.18,1398 366.147,1399 530.06,1400 342,1401 6.361}
{0 CHEMBL1484292,1 1.734,2 11.769,3 4.724,4 22.312,5 99.929,6 9.195,7 0.643,8 3.806,9 3.903,10 3.539,11 3.415,12 5.096,13 3.409,14 4.243,15 4.349,16 3.893,17 3.775,18 5.659,19 3.751,20 4.513,21 4.682,22 3.965,23 3.869,24 5.776,25 3.825,26 4.538,27 4.726,28 3.899,29 3.749,30 5.885,31 3.71,32 4.374,33 4.547,34 3.788,35 3.668,36 5.707,37 3.635,38 4.32,39 4.468,40 3.856,41 3.652,42 5.956,43 3.604,44 4.239,45 4.442,46 3.503,47 3.551,48 5.375,49 3.446,50 4.087,51 4.293,52 3.345,53 3.31,54 5.307,55 3.248,56 0.166,57 0.558,58 5.076,59 3.095,60 5.774,61 3.461,62 0.258,63 0.833,64 8.498,65 5.231,66 40.544,67 5.942,68 0.344,69 1.072,70 16.819,71 7.003,72 30.455,73 7.982,74 0.585,75 1.024,76 22.618,77 7.412,78 72.079,79 8.179,80 0.466,81 0.865,82 17.219,83 6.532,84 57.711,85 7.406,86 0.661,87 0.807,88 15.352,89 5.977,90 103.698,91 6.648,92 0.31,93 0.756,94 16.659,95 6.285,96 39.021,97 7.911,98 0.274,99 0.667,100 14.478,101 4.927,102 28.59,103 5.913,104 18,105 38,106 0.301,107 0.49,108 0.594,109 0.749,110 0.829,111 0.847,112 3.303,113 0.866,114 -5.26,115 -5.14,116 -4.81,120 47.5,143 12,144 1,145 5,159 1,167 2,174 8,176 1,177 3,180 1,182 7,185 10,189 7,194 7,197 8,201 8,206 3,209 6,213 1,214 4,217 1,218 1,219 1,222 12,226 2,227 2,230 2,235 12,240 2,243 1,245 3,247 8,252 6,257 3,260 2,264 6,269 3,271 2,274 1008,275 17.361,276 17.361,277 17.361,278 17.361,279 17.361,280 14.714,281 23.561,282 10.344,283 17.62,284 13.812,285 13.812,286 13.812,287 13.812,288 13.812,289 9.934,290 34.455,291 4.94,292 14.275,293 3.588,294 2.501,295 1.905,296 1.01,297 0.55,298 0.45,299 3.984,303 1,306 1,307 1,308 648,309 3.317,313 286.77,320 1.959,321 31.714,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 56.833,333 306,334 4.422,335 3.788,336 6.442,337 4.007,338 3.036,339 4.12,340 2.612,341 9.877,342 2.938,343 4.11,344 3.611,345 5.855,346 3.698,347 2.729,348 3.691,349 1.058,350 7.956,351 2.642,352 4.026,353 2.927,354 5.619,355 3.56,356 2.592,357 3.559,358 0.4,359 7.762,360 2.506,361 3.85,362 2.847,363 5.374,364 3.403,365 2.434,366 3.405,368 7.017,369 2.361,370 3.493,371 2.516,372 5.001,373 3.069,374 2.11,375 2.803,377 5.95,378 2.007,379 3.241,380 2.141,381 4.741,382 2.767,383 1.807,384 2.47,386 4.919,387 1.677,388 2.912,389 2.005,390 3.866,391 2.405,392 1.416,393 2.021,395 3.051,396 1.398,397 2.863,398 1.467,399 3.738,400 2.202,401 1.235,402 2.009,404 2.955,405 1.156,406 2.544,407 1.373,408 3.588,409 2.041,410 1.032,411 1.505,413 2.668,414 1.035,415 2.5,416 1,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1,426 3.247,427 2,428 1,429 1.5,431 2.136,432 1,433 1.526,434 1,435 2.929,436 1.195,437 0.235,438 0.289,440 0.579,441 0.222,442 1.245,443 0.675,444 2.674,445 0.768,446 -0.092,447 -0.114,449 -0.215,450 -0.065,451 1.049,452 0.586,453 2.313,454 0.652,455 -0.319,456 -0.417,458 -0.778,459 -0.302,460 1,461 0.135,462 2.171,463 0.211,464 -0.775,465 -1.018,467 -1.851,468 -0.754,469 12.414,470 0.477,471 0.647,472 0.025,473 39.75,474 1.529,475 23.5,476 0.904,477 16.25,478 0.625,479 15.543,480 0.598,481 26.586,482 0.665,483 29.488,484 1.134,485 8.107,486 0.312,487 4.418,488 0.17,489 0.138,491 0.314,496 0.466,497 0.975,498 0.557,499 0.751,500 0.515,501 0.755,502 0.487,503 1.292,504 0.68,505 1.068,506 0.436,507 1.04,508 0.887,509 1.211,510 0.952,511 1.065,512 0.679,513 1.056,514 1.139,515 0.997,516 1.077,517 1.028,518 1.097,519 0.991,520 1.001,521 0.766,522 0.859,523 0.893,524 1.196,525 0.883,526 0.628,527 0.88,528 0.913,529 0.983,530 0.695,531 1.031,532 0.646,533 1.06,534 1.081,535 1.116,536 0.615,537 1.136,538 0.951,539 1.144,540 1.093,541 1.116,542 0.776,543 1.067,544 5.5,545 0.132,546 2.667,547 1.5,548 1.427,549 0.854,550 0.404,551 0.332,552 0.225,553 0.151,554 8526,555 29756,556 2.037,557 35,559 12,562 2,567 1.686,568 1.902,569 3.516,570 0.289,575 69.354,576 1.734,577 2.821,578 3.417,579 4.312,580 4.772,581 4.872,582 2.955,583 4.162,584 4.671,585 3.7,586 1202.37,587 8.067,588 15602.4,590 1,593 212.877,594 1.42,595 4.628,596 0.196,597 0.008,598 0.07,599 0.039,600 0.043,601 0.027,602 0.013,603 0.014,604 0.011,605 0.008,606 0.432,607 0.17,608 1,609 0.777,610 129.539,611 0.125,612 0.135,613 0.01,614 0.106,615 -0.037,616 0.05,617 0.168,618 -0.258,619 -0.02,620 -0.17,621 0.173,622 -0.181,623 -0.107,624 -0.179,625 -0.051,626 -0.128,627 -0.011,628 -0.109,629 -0.077,630 -0.016,631 -0.007,632 -0.045,633 -0.053,634 0.004,635 0.023,636 0.188,637 0.075,638 0.091,639 -0.106,640 0.11,641 0.426,642 0.082,643 0.092,644 -0.002,645 0.392,646 -0.076,647 0.061,648 -0.149,649 -0.005,650 -0.08,651 0.009,652 -0.045,653 -0.086,654 -0.17,655 -0.042,656 -0.124,657 0.001,658 -0.027,659 2.572,660 5.352,661 0.692,662 26.059,663 1.023,664 1.114,665 4.026,666 16.206,667 0.72,668 3.367,669 3.664,670 3.871,671 4.06,672 4.277,673 4.234,674 4.248,675 4.304,676 4.331,677 4.394,678 6.98,679 0.705,680 367.81,681 3.367,682 4.89,683 5.714,684 6.567,685 7.407,686 8.262,687 9.107,688 9.964,689 10.812,690 11.669,691 7.5,698 1,699 1,702 1,709 12,714 6,716 18,723 1,729 1,731 1,737 1,738 40,739 21,740 3,741 28,743 42,744 19,745 18,746 6,747 12,748 1,752 3,753 3,754 1,768 19,772 3,775 1,778 3,782 1,789 14,790 5,791 2,792 7,793 1,797 3,803 1,804 3,823 3,855 3,860 1,862 26,871 2,885 1,886 7.5,889 1,892 2,893 13.667,894 7.093,895 5.75,896 2.18,898 3.323,899 1.472,900 0.989,901 5.513,902 10.365,903 3.714,904 4.311,905 4.814,906 5.325,907 5.86,908 5.96,909 6.191,910 6.458,911 6.701,912 7.058,913 0.875,914 38,915 9.56,917 4.088,918 8.107,919 17.507,921 13.894,924 2.607,925 67.778,928 1,929 141.253,930 136.133,931 41.692,932 39.149,933 75.892,936 136.133,937 256.294,938 41.692,939 5.67,940 18.011,941 113.715,942 29.85,943 35.724,945 141.253,946 89.896,947 141.253,948 177.824,949 75.892,950 39.149,952 141.253,953 25.145,954 50.747,956 36.022,957 136.133,958 44.819,960 141.253,961 117.583,962 175.281,965 141.253,966 22.418,967 119.385,968 36.022,969 115.04,970 141.253,971 117.583,972 175.281,973 0.579,974 0.329,975 0.167,976 0.094,977 17,978 8,979 0.119,980 5,982 1,983 3.857,984 205.925,986 18,987 112.211,993 17.924,994 7.997,995 4.609,997 111.913,998 20.522,1003 2.371,1005 36.022,1006 434.118,1007 40,1010 -0.572,1013 34.065,1017 -0.512,1020 40.913,1021 44.558,1022 0.326,1023 0.53,1024 0.642,1025 0.81,1026 0.897,1027 0.915,1028 4.916,1029 1.235,1030 5.687,1031 3.051,1032 4.344,1033 4.997,1034 2.692,1035 6.441,1036 4.279,1037 6.129,1038 1.032,1039 7.216,1040 2.955,1041 3.892,1042 4.771,1043 2.361,1044 7.226,1045 3.758,1046 7.427,1047 1,1048 8.841,1049 2.668,1050 5.889,1051 7.172,1052 4.194,1053 10.272,1054 5.762,1055 8.758,1056 1,1057 10.522,1058 2.275,1059 6.217,1060 7.71,1061 4.506,1062 11.858,1063 6.021,1064 10.116,1065 0.235,1066 12.239,1067 2.136,1068 7.694,1069 9.597,1070 5.955,1071 14.414,1072 7.504,1073 11.492,1074 -0.092,1075 13.979,1076 0.579,1077 8.389,1078 10.501,1079 6.556,1080 16.354,1081 8.137,1082 12.884,1083 -0.319,1084 15.738,1085 -0.215,1086 9.641,1087 12.154,1088 7.796,1089 18.729,1090 9.386,1091 3.036,1092 -0.775,1093 17.51,1094 -0.778,1095 10.523,1096 13.257,1097 8.548,1098 20.842,1099 10.214,1100 2.729,1101 9.877,1102 19.293,1103 -1.851,1104 11.674,1105 14.79,1106 9.67,1107 23.15,1108 11.352,1109 2.592,1110 7.956,1111 21.086,1112 4.12,1113 12.653,1114 16.009,1115 10.509,1116 25.348,1117 12.285,1118 2.434,1119 7.762,1120 22.886,1121 3.691,1122 13.761,1123 17.476,1124 11.563,1125 27.634,1126 13.373,1127 2.11,1128 7.017,1129 24.693,1130 3.559,1131 14.791,1132 18.765,1133 12.452,1134 29.876,1135 14.362,1136 1.807,1137 5.95,1138 26.506,1139 3.405,1140 15.883,1141 20.198,1142 13.468,1143 32.157,1144 15.428,1145 1.416,1146 4.919,1147 28.325,1148 2.803,1149 16.942,1150 21.53,1151 14.386,1152 34.42,1153 16.449,1154 8281,1155 15689,1156 18.493,1157 28.807,1158 41.689,1159 43.913,1160 42.482,1161 41.465,1162 41.25,1163 57.744,1164 8.142,1165 114.293,1166 39.886,1167 5.259,1168 5.788,1169 6.243,1170 5.033,1171 5.036,1172 7.12,1173 4.612,1174 16.511,1175 4.938,1176 13.129,1177 1.489,1178 1.568,1179 1.517,1180 1.481,1181 1.473,1182 2.062,1183 0.291,1184 4.082,1185 1.424,1186 4.024,1187 4.049,1188 4.071,1189 3.922,1190 7.815,1191 3.928,1192 3.942,1193 3.973,1194 3.898,1195 3.853,1196 7.429,1197 3.855,1198 3.822,1199 3.855,1200 3.754,1201 3.756,1202 6.999,1203 3.75,1204 3.541,1205 3.552,1206 3.662,1207 3.175,1208 4.9,1209 3.249,1210 3.272,1211 3.315,1212 3.317,1213 3,1214 4.836,1215 3.048,1216 3.028,1217 3.086,1218 3.036,1219 2.857,1220 4.684,1221 2.866,1222 2.854,1223 2.925,1224 2.93,1225 2.735,1226 4.253,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.053,1233 2.715,1234 0.158,1235 0.135,1236 0.23,1237 0.143,1238 0.108,1239 4.422,1240 0.147,1241 3.788,1242 0.093,1243 6.442,1244 0.353,1245 4.007,1246 0.105,1247 3.036,1248 4.12,1249 2.612,1250 9.877,1251 2.938,1252 1.948,1253 1.923,1254 2.046,1255 2.087,1256 1.123,1257 2.06,1258 1.909,1259 1.885,1260 1.984,1261 2.033,1262 1.086,1263 2.023,1264 1.823,1265 1.794,1266 1.939,1267 1.919,1268 1.016,1269 1.927,1270 1.283,1271 1.262,1272 1.363,1273 1.678,1274 0.366,1275 1.574,1276 1.117,1277 1.08,1278 1.204,1279 1.429,1280 0.24,1281 1.39,1282 0.98,1283 0.927,1284 1.189,1285 1.203,1286 0.218,1287 1.2,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.154,1299 1.107,1300 4.043,1302 5.342,1304 6.832,1306 8.402,1308 10.013,1311 5.984,1317 5.919,1326 28.197,1327 69.354,1328 112.838,1329 136.696,1330 172.471,1331 190.877,1332 194.877,1333 54.553,1334 7.041,1335 86.95,1336 86.95,1337 18,1338 12.223,1339 4.459,1340 3.7,1341 44.622,1342 110,1343 104,1344 0.198,1345 179.348,1346 313.02,1347 429.369,1348 10866,1349 2.5,1350 18.518,1351 0.712,1352 0.547,1353 19.018,1354 14.234,1355 12.525,1356 0.447,1357 0.289,1358 7.641,1359 11.788,1360 7.473,1361 6.213,1362 12.814,1363 8.08,1364 11.298,1365 0.297,1366 0.154,1367 11.669,1368 5.851,1369 9.035,1370 0.192,1371 0.084,1372 9.394,1373 3.94,1374 7.087,1375 0.124,1376 0.044,1377 7.403,1378 2.528,1379 5.732,1380 0.081,1381 0.024,1382 5.966,1383 1.697,1384 0.318,1385 81.617,1386 0.233,1387 25.585,1388 0.523,1389 132,1390 455.721,1391 160.018,1392 472.87,1393 618.04,1394 434,1395 151,1396 427.371,1397 174.519,1398 438.708,1399 629.22,1400 411,1401 5.249}
{0 CHEMBL1484934,1 1.476,2 12.303,3 5.504,4 30.293,5 131.777,6 7.429,7 0.514,8 4.209,9 4.314,10 3.768,11 3.755,12 5.297,13 3.72,14 4.745,15 4.912,16 4.051,17 4.111,18 5.752,19 4.054,20 4.933,21 5.104,22 4.215,23 4.284,24 5.979,25 4.209,26 5.101,27 5.302,28 4.169,29 4.389,30 6.03,31 4.27,32 5.244,33 5.479,34 4.184,35 4.459,36 6.129,37 4.312,38 5.226,39 5.467,40 4.228,41 4.433,42 6.136,43 4.295,44 5.19,45 5.425,46 4.301,47 4.391,48 6.183,49 4.278,50 5.138,51 5.338,52 4.347,53 4.368,54 6.246,55 4.269,56 0.001,57 0.797,58 13.03,59 6.231,60 9.859,61 7.916,62 0.336,63 1.269,64 27.115,65 10.015,66 31.779,67 12.8,68 0.433,69 1.553,70 31.453,71 12.282,72 50.173,73 16.129,74 0.271,75 1.815,76 36.971,77 14.99,78 46.575,79 19.963,80 0.479,81 2.012,82 48.553,83 17.58,84 64.512,85 23.779,86 0.391,87 1.997,88 46.546,89 17.015,90 57.863,91 23.274,92 0.477,93 1.873,94 47.075,95 16.18,96 66.038,97 21.714,98 0.671,99 1.725,100 44.403,101 15.302,102 81.296,103 19.536,104 43,105 46,106 0.237,107 0.501,108 0.669,109 0.77,110 0.821,111 0.847,112 3.532,113 0.974,114 -5.34,115 -5.23,116 -4.88,120 42.9,122 1,123 1,125 3,126 3,143 12,144 3,145 3,159 1,174 16,176 1,177 6,185 19,188 1,189 11,197 18,201 8,209 14,213 1,214 8,222 15,226 1,227 9,235 14,239 1,240 8,247 14,251 2,252 9,260 18,264 6,271 17,274 2046,275 22.756,276 22.756,277 22.756,278 22.756,279 22.756,280 20.477,281 30.369,282 13.499,283 23.422,284 16.99,285 16.99,286 16.99,287 16.99,288 16.99,289 13.413,290 39.679,291 6.034,292 17.793,293 4.501,294 2.859,295 1.812,296 1.181,297 0.866,298 0.703,299 4.215,300 1,307 1,308 845,309 4.359,313 394.235,320 1.603,321 27.139,324 1,325 0.67,326 0.83,327 1,328 1,329 1,330 1,331 0.93,332 70.833,333 406,334 4.276,335 3.755,336 6.501,337 4.02,338 3.024,339 3.912,340 2.116,341 10.185,342 3.015,343 4.263,344 3.349,345 6.177,346 3.881,347 2.925,348 3.783,349 0.86,350 9.179,351 2.795,352 3.943,353 3.208,354 6.03,355 3.69,356 2.743,357 3.443,358 0.86,359 8.603,360 2.585,361 3.888,362 2.814,363 5.398,364 3.465,365 2.502,366 3.13,367 0.86,368 7.006,369 2.412,370 3.5,371 2.685,372 5.208,373 3.145,374 2.168,375 2.817,376 0.825,377 6.441,378 2.102,379 3.487,380 2.28,381 5.118,382 3.088,383 2.111,384 2.788,385 0.68,386 6.068,387 2.053,388 2.945,389 2.193,390 4.369,391 2.579,392 1.611,393 2.109,394 0.316,395 4.129,396 1.559,397 2.919,398 2.083,399 4.214,400 2.521,401 1.597,402 2.057,404 3.88,405 1.461,406 2.682,407 1.875,408 3.993,409 2.389,410 1.42,411 1.669,413 3.29,414 1.357,415 2.5,416 1.625,417 3.484,418 2,419 1.014,420 1.5,422 2.469,423 1,424 2.5,425 1.199,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.242,434 1.121,435 3.247,436 1.976,437 1,438 1.189,440 2.136,441 0.959,442 1.915,443 1,444 3.13,445 1.615,446 0.713,447 0.832,449 1.345,450 0.635,451 1.669,452 1,453 2.982,454 1.424,455 0.542,456 0.593,458 0.925,459 0.469,460 1.483,461 0.974,462 2.757,463 1.224,464 0.365,465 0.397,467 0.526,468 0.308,469 15.948,470 0.483,471 0.584,472 0.018,473 41.25,474 1.25,475 21,476 0.636,477 20.25,478 0.614,479 30.273,480 0.917,481 36.252,482 0.575,483 34.387,484 1.042,485 8.593,486 0.26,487 7.495,488 0.227,489 0.16,491 0.276,496 0.761,497 1.314,498 0.702,499 1.125,500 0.617,501 1.017,502 1.243,503 0.91,504 0.976,505 0.869,506 0.858,507 0.875,508 0.816,509 1.113,510 0.819,511 1.065,512 0.877,513 1.054,514 0.864,515 1.202,516 0.893,517 1.113,518 1.034,519 1.148,520 0.834,521 1.033,522 1.04,523 1.024,524 0.918,525 1.047,526 0.735,527 1.059,528 0.902,529 0.998,530 0.987,531 1.001,532 0.899,533 0.938,534 0.948,535 0.913,536 0.96,537 0.883,538 1.208,539 0.931,540 1.032,541 0.936,542 1.388,543 0.954,544 6,545 0.268,546 3.778,547 1.875,548 1.467,549 0.944,550 0.912,551 0.726,552 0.415,553 0.299,554 14129,555 40013,556 2.011,557 47.6,558 1,559 27,564 2,567 1.759,568 1.886,569 3.558,570 -0.811,575 92.98,576 1.476,577 3.118,578 4.165,579 4.796,580 5.112,581 5.275,582 2.975,583 4.453,584 5.016,585 3.71,586 1959.11,587 8.822,588 29695.2,593 376.569,594 1.382,595 4.975,596 0.171,597 0.008,598 0.082,599 0.037,600 0.031,601 0.02,602 0.019,603 0.014,604 0.008,605 0.007,606 0.396,607 0.33,608 0.88,609 1.087,610 174.846,612 -0.165,613 0.038,614 -0.093,615 -0.014,616 -0.027,617 -0.129,618 0.173,619 -0.061,620 0.116,621 -0.071,622 0.081,623 0.096,624 -0.033,625 -0.017,626 -0.082,627 0.073,628 -0.084,629 -0.079,630 -0.161,631 -0.104,632 -0.135,633 -0.114,634 -0.164,635 -0.044,636 -0.042,637 -0.076,638 -0.034,639 -0.074,640 -0.047,641 0.013,642 -0.054,643 0.027,644 -0.021,645 -0.026,646 -0.005,647 0.035,648 0.058,649 0.097,650 0.071,651 0.111,652 0.104,653 0.02,654 0.056,655 0.045,656 0.058,657 0.063,658 0.015,659 1.77,660 5.684,661 0.545,662 32.909,663 1,664 1.119,665 4.111,666 16.899,667 0.668,668 3.584,669 3.85,670 4.111,671 4.29,672 4.489,673 4.522,674 4.654,675 4.71,676 4.691,677 4.663,678 7.237,679 0.629,680 468.03,681 3.584,682 5.094,683 5.927,684 6.777,685 7.626,686 8.482,687 9.338,688 10.197,689 11.055,690 11.916,691 1.6,698 1,709 12,714 6,716 18,735 3,738 63,739 19,740 3,741 35,743 65,744 27,745 18,746 6,747 12,750 1,752 3,753 3,754 1,759 1,766 1,768 19,769 8,770 1,772 1,778 1,782 1,789 30,790 5,792 6,793 1,797 1,803 1,804 4,823 3,839 1,855 3,859 3,860 1,862 33,869 4,872 3,874 1,875 1,885 1,886 6.3,889 1,891 3,893 17.5,894 12.093,895 7.778,896 3.495,898 2.139,899 1.298,900 0.939,901 9.612,902 9.309,903 3.829,904 4.35,905 4.869,906 5.337,907 5.843,908 5.887,909 6.165,910 6.411,911 6.607,912 6.764,913 1,914 51,915 12.183,917 4.931,918 7.7,919 23.343,921 18.331,924 2.2,925 72.611,929 353.133,930 185.951,931 3.124,932 39.149,933 58.145,936 185.951,937 450.426,938 3.124,939 32.649,940 12.72,941 113.715,942 29.85,943 58.287,945 392.282,947 353.133,948 189.076,949 58.145,950 39.149,952 329.591,953 81.687,956 12.72,957 176.356,958 39.149,960 353.133,961 61.269,962 225.1,965 353.133,966 39.587,967 149.488,969 97.293,970 353.133,971 61.269,972 225.1,973 0.56,974 0.344,975 0.178,976 0.095,977 18,978 9,979 0.154,980 10,982 1,983 4.277,984 291.972,986 18,987 158.465,993 25.097,994 12.639,995 6.732,997 61.269,998 24.114,1003 5.428,1006 639.502,1007 45,1013 12.684,1017 -0.104,1020 62.989,1021 70.508,1022 0.247,1023 0.522,1024 0.697,1025 0.802,1026 0.855,1027 0.882,1028 5.034,1029 1.597,1030 5.883,1031 4.129,1032 4.533,1033 5.037,1034 2.755,1035 6.653,1036 4.455,1037 6.202,1038 1.42,1039 7.421,1040 3.88,1041 4.007,1042 4.663,1043 1.668,1044 7.516,1045 3.917,1046 7.481,1047 1.014,1048 9.059,1049 3.29,1050 6.089,1051 7.13,1052 3.526,1053 10.564,1054 5.957,1055 8.795,1056 1,1057 10.756,1058 2.469,1059 6.415,1060 7.552,1061 3.401,1062 12.248,1063 6.254,1064 10.14,1065 1,1066 12.492,1067 2.275,1068 7.913,1069 9.481,1070 4.755,1071 14.8,1072 7.735,1073 11.504,1074 0.713,1075 14.252,1076 2.136,1077 8.628,1078 10.277,1079 5.04,1080 16.819,1081 8.418,1082 12.883,1083 0.542,1084 16.031,1085 1.345,1086 9.886,1087 11.962,1088 6.144,1089 19.2,1090 9.666,1091 3.024,1092 0.365,1093 17.823,1094 0.925,1095 10.789,1096 12.967,1097 6.621,1098 21.367,1099 10.542,1100 2.925,1101 10.185,1102 19.625,1103 0.526,1104 11.942,1105 14.518,1106 7.587,1107 23.688,1108 11.688,1109 2.743,1110 9.179,1111 21.435,1112 3.912,1113 12.937,1114 15.65,1115 8.169,1116 25.922,1117 12.662,1118 2.502,1119 8.603,1120 23.252,1121 3.783,1122 14.046,1123 17.12,1124 9.052,1125 28.223,1126 13.764,1127 2.168,1128 7.006,1129 25.074,1130 3.443,1131 15.085,1132 18.332,1133 9.698,1134 30.49,1135 14.789,1136 2.111,1137 6.441,1138 26.901,1139 3.13,1140 16.178,1141 19.755,1142 10.53,1143 32.786,1144 15.875,1145 1.611,1146 6.068,1147 28.731,1148 2.817,1149 17.239,1150 21.018,1151 11.215,1152 35.07,1153 16.927,1154 13998,1155 23668,1156 23.057,1157 42.103,1158 50.252,1159 52.458,1160 53.2,1161 49.991,1162 50.175,1163 64.235,1164 13.034,1165 138.052,1166 47.937,1167 5.215,1168 5.755,1169 6.303,1170 5.034,1171 5.024,1172 6.912,1173 3.785,1174 16.927,1175 5.015,1176 17.557,1177 1.436,1178 1.499,1179 1.52,1180 1.428,1181 1.434,1182 1.835,1183 0.372,1184 3.944,1185 1.37,1186 4.025,1187 4.053,1188 3.968,1189 3.961,1190 7.427,1191 3.956,1192 3.933,1193 3.952,1194 3.888,1195 3.851,1196 4.936,1197 3.855,1198 3.818,1199 3.845,1200 3.798,1201 3.754,1202 4.872,1203 3.748,1204 3.678,1205 3.719,1206 3.748,1207 3.489,1208 4.736,1209 3.503,1210 3.414,1211 3.456,1212 3.44,1213 3.269,1214 4.66,1215 3.262,1216 3.297,1217 3.347,1218 3.219,1219 3.077,1220 4.496,1221 3.083,1222 3.247,1223 3.314,1224 3.067,1225 2.963,1226 4.37,1227 2.966,1228 3.22,1229 3.292,1230 3.05,1231 2.95,1232 4.33,1233 2.957,1234 0.122,1235 0.107,1236 0.186,1237 0.115,1238 0.086,1239 4.276,1240 0.112,1241 3.755,1242 0.06,1243 6.501,1244 0.291,1245 4.02,1246 0.086,1247 3.024,1248 3.912,1249 2.116,1250 10.185,1251 3.015,1252 1.992,1253 1.967,1254 2.107,1255 2.074,1256 1.366,1257 2.085,1258 1.903,1259 1.884,1260 2.005,1261 2.014,1262 1.175,1263 2.011,1264 1.821,1265 1.795,1266 1.947,1267 1.913,1268 1.01,1269 1.925,1270 1.609,1271 1.561,1272 1.798,1273 1.821,1274 0.995,1275 1.813,1276 1.376,1277 1.335,1278 1.602,1279 1.583,1280 0.765,1281 1.596,1282 1.236,1283 1.183,1284 1.576,1285 1.524,1286 0.634,1287 1.54,1288 1.192,1289 1.115,1290 1.565,1291 1.511,1292 0.579,1293 1.53,1294 1.181,1295 1.105,1296 1.523,1297 1.475,1298 0.574,1299 1.505,1300 4.263,1302 5.541,1304 7.027,1306 8.6,1308 10.215,1310 4.861,1311 5.952,1315 1.694,1318 16.05,1320 0.133,1321 1.799,1326 39.61,1327 92.98,1328 196.451,1329 262.391,1330 302.165,1331 322.039,1332 332.304,1333 70.232,1334 7.171,1335 48,1336 48,1337 18,1338 12.466,1339 4.322,1340 3.459,1341 63.812,1342 142,1343 150,1344 0.214,1345 249.422,1346 440.85,1347 600.349,1348 11067,1349 1.6,1350 23.631,1351 0.716,1352 0.608,1353 24.131,1354 20.048,1355 16.088,1356 0.46,1357 0.325,1358 10.702,1359 15.146,1360 10.274,1361 8.589,1362 16.441,1363 11.362,1364 13.225,1365 0.288,1366 0.172,1367 13.43,1368 7.931,1369 11.582,1370 0.193,1371 0.099,1372 11.904,1373 5.925,1374 8.921,1375 0.124,1376 0.057,1377 9.088,1378 4.077,1379 7.041,1380 0.08,1381 0.032,1382 7.149,1383 2.782,1384 0.335,1385 104.913,1386 0.208,1387 30.567,1388 0.591,1389 162,1390 494.791,1391 186.881,1392 494.134,1393 653.64,1394 466,1395 187,1396 433.521,1397 209.353,1398 450.611,1399 648.13,1400 417,1401 5.497}
{0 CHEMBL1485025,1 1.521,2 9.136,3 2.491,4 6.206,5 88.548,6 6.913,7 0.261,8 3.907,9 4.04,10 3.393,11 3.412,12 4.893,13 3.358,14 4.496,15 4.693,16 3.823,17 3.821,18 5.445,19 3.75,20 4.844,21 5.059,22 3.881,23 4.033,24 5.834,25 3.906,26 5.023,27 5.334,28 3.751,29 4.038,30 5.743,31 3.849,32 4.839,33 5.085,34 3.519,35 3.904,36 5.77,37 3.727,38 4.906,39 5.252,40 3.596,41 3.691,42 5.825,43 3.519,44 4.328,45 4.504,46 3.269,47 3.39,48 5.552,49 3.305,50 4.348,51 4.619,52 3.197,53 3.406,54 5.131,55 3.259,56 0.032,57 0.638,58 11.056,59 4.561,60 8.616,61 6.381,62 0.167,63 1.028,64 21.415,65 7.545,66 24.671,67 10.867,68 0.581,69 1.345,70 33.048,71 9.625,72 59.101,73 14.254,74 0.364,75 1.38,76 39.768,77 12.723,78 48.16,79 18.504,80 0.354,81 1.225,82 32.987,83 9.861,84 50.948,85 14.393,86 0.552,87 1.055,88 36.487,89 9.971,90 75.879,91 14.874,92 0.397,93 0.678,94 19.852,95 5.556,96 63.664,97 7.384,98 0.363,99 0.651,100 21.408,101 6.261,102 32.455,103 8.546,104 37,105 34,106 0.267,107 0.561,108 0.694,109 0.724,110 0.732,111 0.732,112 3.146,113 1.044,114 -3.8,115 -3.77,116 -3.58,120 36.2,121 4,122 2,126 1,128 1,131 2,143 4,145 2,159 1,174 3,177 1,180 1,182 8,185 10,188 1,189 3,192 1,197 3,201 3,205 1,206 4,209 9,214 3,219 1,227 7,230 1,232 3,240 5,243 1,245 1,247 2,260 6,269 1,271 6,274 608,275 13.671,276 13.671,277 13.671,278 13.671,279 13.671,280 12.712,281 23.819,282 7.903,283 13.99,284 11.381,285 11.381,286 11.381,287 11.381,288 11.381,289 9.968,290 51.501,291 3.806,292 11.972,293 4.034,294 2.356,295 1.596,296 1.426,297 1.383,298 1.383,299 3.796,303 1,305 1,306 1,307 1,308 412,309 3.674,313 161.658,320 1.409,321 22.629,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 47.333,333 201,334 4.437,335 3.646,336 7.042,337 4.405,338 3.436,339 3.775,340 2.03,341 12.149,342 3.326,343 4.164,344 3.545,345 6.388,346 3.85,347 2.866,348 3.439,349 0.892,350 9.859,351 2.818,352 3.866,353 3.221,354 6.023,355 3.711,356 2.801,357 2.866,358 0.4,359 8.557,360 2.521,361 3.694,362 2.937,363 5.421,364 3.446,365 2.47,366 2.856,367 0.141,368 7.158,369 2.391,370 3.042,371 2.309,372 4.796,373 2.91,374 1.926,375 2.11,377 5.335,378 1.885,379 2.901,380 2.204,381 4.188,382 2.454,383 1.504,384 2.02,386 3.839,387 1.428,388 2.841,389 1.586,390 3.605,391 2.34,392 1.414,393 1.956,395 2.981,396 1.23,397 1.85,398 1.23,399 3.506,400 1.528,401 0.628,402 0.726,404 1.445,405 0.551,406 1.079,407 0.571,408 3.187,409 0.814,410 -0.097,411 -0.105,413 -0.25,414 -0.076,415 1,416 0.415,417 3.082,418 0.787,419 -0.211,420 -0.211,422 -0.685,423 -0.21,424 0.789,425 -0.068,426 2.667,427 0.616,428 -0.269,429 -0.3,431 -0.712,432 -0.223,433 0.655,434 -0.2,435 2.225,436 0.524,437 -0.443,438 -0.484,440 -1.381,441 -0.416,442 0.624,443 -0.235,444 2,445 0.176,446 -0.775,447 -1,449 -1.828,450 -0.693,451 0.148,452 -0.673,453 2,455 -1,456 -1,458 -3,459 -1,461 -1,462 2,464 -1,465 -1.024,467 -3,468 -1,469 10.681,470 0.485,471 0.918,472 0.042,473 21.5,474 0.977,475 8,476 0.364,477 13.5,478 0.614,479 24.611,480 1.119,481 25.919,482 0.551,483 13.653,484 0.621,485 3.822,486 0.174,487 6.346,488 0.288,489 0.285,490 0.094,491 0.187,496 0.762,497 1.431,498 0.748,499 1.162,500 0.67,501 1.1,502 0.806,503 1.328,504 0.675,505 0.999,506 0.523,507 0.939,508 1.12,509 1.154,510 1.122,511 1.145,512 1.014,513 1.242,514 0.638,515 0.847,516 0.662,517 0.796,518 0.577,519 0.77,520 1.263,521 1.249,522 1.205,523 1.276,524 1.434,525 1.321,526 0.73,527 0.567,528 0.366,529 0.518,530 0.867,531 0.449,532 2.575,533 1.114,534 1.321,535 1.117,536 3.974,537 1.234,538 1.767,539 0.475,540 0.938,541 0.483,542 0.922,543 0.619,544 8,545 0.112,546 2.444,547 2.563,548 1.258,549 0.764,550 0.346,551 0.24,552 0.206,553 0.281,554 4747,555 11679,556 1.898,557 53.2,559 7,562 2,564 12,565 4,567 1.642,568 1.714,569 3.096,570 0.304,571 1,572 1,575 71.482,576 1.521,577 3.199,578 3.958,579 4.129,580 4.171,581 4.171,582 2.465,583 3.732,584 4.438,585 3.351,586 774.015,587 7.602,588 8833.43,590 1,592 1,593 261.066,594 1.79,595 4.327,596 0.348,597 0.007,598 0.072,599 0.085,600 0.043,601 0.038,602 0.015,603 0.015,604 0.013,605 0.016,606 0.652,607 0.5,608 1,609 0.714,610 102.182,611 -0.033,612 -0.09,613 0.018,614 -0.033,615 -0.084,616 0.002,617 0.077,618 -0.156,619 0.139,620 0.031,621 0.145,622 0.088,623 -0.006,624 0.009,625 -0.213,626 -0.187,627 -0.065,628 -0.283,629 0.086,630 0.036,631 0.185,632 0.133,633 0.118,634 0.193,635 -0.202,636 -0.211,637 -0.302,638 -0.33,639 -0.216,640 -0.368,641 0.277,642 0.187,643 0.443,644 0.314,645 0.351,646 0.442,647 -0.402,648 -0.103,649 -0.36,650 -0.185,651 -0.586,652 -0.333,653 -0.279,654 0.377,655 0.068,656 0.453,657 -0.147,658 0.311,659 1.779,660 5.118,661 0.545,662 16.182,663 0.995,664 1.135,665 2.575,666 6.629,667 0.636,668 3.178,669 3.555,670 3.611,671 3.892,672 3.892,673 3.97,674 3.555,675 3.689,676 3.638,677 3.714,678 5.808,679 0.588,680 324.89,681 3.178,682 4.745,683 5.541,684 6.447,685 7.255,686 8.167,687 8.977,688 9.893,689 10.704,690 11.623,691 4.3,693 1,698 1,709 4,714 2,716 6,735 1,737 1,738 47,739 7,740 1,741 23,743 48,744 17,745 6,746 2,747 4,752 2,753 2,754 1,759 4,763 3,764 2,766 3,768 7,769 10,770 2,772 1,778 1,782 1,785 1,786 1,789 25,790 4,791 2,792 5,793 1,797 2,803 1,804 2,823 2,838 1,849 1,855 2,859 4,860 1,862 22,869 3,871 2,872 1,874 1,876 2,885 1,886 4.3,889 1,891 1,893 12.833,894 9.393,895 4.611,896 2.744,898 1.063,899 1.168,900 0.887,901 5.282,902 7.4,903 3.332,904 3.839,905 4.09,906 4.498,907 4.784,908 4.712,909 4.456,910 4.653,911 4.752,912 4.793,913 0.833,914 30,915 8.172,917 3.398,918 7.725,919 15.756,921 12.927,924 2.225,925 48.944,928 1,929 270.735,930 96.316,931 36.022,932 39.149,933 36.145,936 96.316,937 346.029,938 36.022,939 35.301,940 27.672,941 55.916,942 29.85,943 19.744,945 270.735,946 39.149,947 270.735,948 132.337,949 36.145,950 39.149,952 82.398,953 224.482,956 80.984,957 51.354,958 39.149,960 270.735,961 72.166,962 135.465,965 270.735,966 23.11,967 73.206,968 36.022,969 75.293,970 270.735,971 72.166,972 135.465,973 0.601,974 0.303,975 0.162,976 0.076,977 16,978 8,979 0.083,980 4,982 1,983 3.316,984 160.993,986 12,987 86.107,993 17.419,994 6.671,995 5.34,997 72.166,998 7.157,1003 1.046,1005 36.022,1006 478.366,1007 27,1013 12.118,1017 -0.113,1020 46.785,1021 53.342,1022 0.274,1023 0.576,1024 0.713,1025 0.743,1026 0.751,1027 0.751,1028 4.63,1029 0.628,1030 5.638,1031 2.981,1032 4.234,1033 4.522,1034 2.304,1035 6.506,1036 4.138,1037 5.861,1038 -0.097,1039 7.245,1040 1.445,1041 4.29,1042 4.543,1043 1.593,1044 7.881,1045 4.166,1046 7.198,1047 -0.211,1048 8.964,1049 -0.25,1050 6.004,1051 6.546,1052 3.268,1053 10.784,1054 5.832,1055 8.556,1056 -0.269,1057 10.747,1058 -0.685,1059 6.735,1060 7.193,1061 3.201,1062 12.845,1063 6.534,1064 9.937,1065 -0.443,1066 12.568,1067 -0.712,1068 8.082,1069 8.839,1070 4.494,1071 15.426,1072 7.845,1073 11.333,1074 -0.775,1075 14.415,1076 -1.381,1077 9.083,1078 9.763,1079 4.75,1080 17.737,1081 8.816,1082 12.742,1083 -1,1084 16.279,1085 -1.828,1086 10.319,1087 11.269,1088 5.814,1089 20.237,1090 10.021,1091 3.436,1092 -1,1093 18.156,1094 -3,1095 11.435,1096 12.338,1097 6.248,1098 22.647,1099 11.108,1100 2.866,1101 12.149,1102 20.043,1103 -3,1104 12.642,1105 13.774,1106 7.174,1107 25.129,1108 12.285,1109 2.801,1110 9.859,1111 21.939,1112 3.775,1113 13.81,1114 14.928,1115 7.714,1116 27.582,1117 13.425,1118 2.47,1119 8.557,1120 23.841,1121 3.439,1122 15.015,1123 16.322,1124 8.557,1125 30.064,1126 14.6,1127 1.926,1128 7.158,1129 25.749,1130 2.866,1131 16.209,1132 17.531,1133 9.16,1134 32.538,1135 15.765,1136 1.504,1137 5.335,1138 27.662,1139 2.856,1140 17.419,1141 18.899,1142 9.952,1143 35.023,1144 16.946,1145 1.414,1146 3.839,1147 29.579,1148 2.11,1149 18.628,1150 20.144,1151 10.594,1152 37.506,1153 18.125,1154 4831,1155 7765,1156 14.099,1157 29.915,1158 34.808,1159 36.407,1160 35.348,1161 34.121,1162 34.091,1163 39.496,1164 6.927,1165 102.648,1166 32.299,1167 5.437,1168 5.646,1169 6.731,1170 5.472,1171 5.436,1172 6.775,1173 3.634,1174 19.615,1175 5.326,1176 14.003,1177 1.513,1178 1.583,1179 1.537,1180 1.484,1181 1.482,1182 1.717,1183 0.301,1184 4.463,1185 1.404,1186 3.963,1187 4.017,1188 4.004,1189 3.846,1190 7.429,1191 3.844,1192 3.886,1193 3.908,1194 3.842,1195 3.799,1196 4.987,1197 3.795,1198 3.565,1199 3.608,1200 3.494,1201 3.367,1202 4.536,1203 3.355,1204 3.495,1205 3.569,1206 3.312,1207 3.322,1208 4.429,1209 3.344,1210 3.216,1211 3.288,1212 3.292,1213 3.016,1214 4.275,1215 3.009,1216 2.893,1217 3.009,1218 3.041,1219 2.805,1220 4.066,1221 2.778,1222 2.874,1223 3.009,1224 2.764,1225 2.708,1226 3.977,1227 2.71,1228 2.874,1229 2.922,1230 2.499,1231 2.618,1232 3.509,1233 2.57,1234 0.193,1235 0.159,1236 0.306,1237 0.192,1238 0.149,1239 4.437,1240 0.164,1241 3.646,1242 0.088,1243 7.042,1244 0.528,1245 4.405,1246 0.145,1247 3.436,1248 3.775,1249 2.03,1250 12.149,1251 3.326,1252 1.912,1253 1.861,1254 2.097,1255 2.079,1256 1.438,1257 2.088,1258 1.866,1259 1.845,1260 1.961,1261 1.959,1262 1.047,1263 1.965,1264 1.528,1265 1.459,1266 1.821,1267 1.734,1268 1.042,1269 1.75,1270 1.467,1271 1.422,1272 1.678,1273 1.706,1274 0.846,1275 1.715,1276 1.203,1277 1.131,1278 1.51,1279 1.447,1280 0.7,1281 1.472,1282 0.934,1283 0.824,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.87,1295 0.804,1296 1.157,1297 1.071,1298 0.373,1299 1.08,1300 3.85,1302 5.209,1304 6.732,1306 8.339,1308 9.992,1310 8.64,1311 6.009,1315 1.775,1317 6.673,1318 5.484,1320 0.147,1322 0.007,1326 27.622,1327 71.482,1328 150.355,1329 186.046,1330 194.046,1331 196.046,1332 196.046,1333 50.741,1334 6.337,1335 50.36,1336 50.36,1337 12,1338 12.154,1339 3,1340 2.322,1341 42.43,1342 78,1343 64,1344 0.27,1345 177.258,1346 311.27,1347 424.269,1348 4139,1349 2.1,1350 16.38,1351 0.745,1352 0.657,1353 16.88,1354 14.458,1355 10.168,1356 0.442,1357 0.348,1358 7.577,1359 9.551,1360 7.143,1361 6.019,1362 10.457,1363 8.007,1364 10.72,1365 0.315,1366 0.226,1367 11.09,1368 7.692,1369 6.695,1370 0.186,1371 0.113,1372 7.075,1373 4.063,1374 6.249,1375 0.13,1376 0.075,1377 6.518,1378 3.589,1379 3.702,1380 0.077,1381 0.036,1382 3.881,1383 1.744,1384 0.426,1385 66.432,1386 0.266,1387 21.844,1388 0.73,1389 114,1390 300.34,1391 140.05,1392 318.133,1393 413.94,1394 294,1395 127,1396 273.179,1397 149.002,1398 289.026,1399 413.13,1400 267,1401 5.576}
{0 CHEMBL1485168,1 1.802,2 7.85,3 2.908,4 8.459,5 81.643,6 9.513,7 0.727,8 3.591,9 3.661,10 3.604,11 3.324,12 4.691,13 3.24,14 4.089,15 4.192,16 3.97,17 3.712,18 5.511,19 3.601,20 4.261,21 4.393,22 3.933,23 3.734,24 5.494,25 3.617,26 4.25,27 4.406,28 3.774,29 3.623,30 5.541,31 3.521,32 4.192,33 4.351,34 3.693,35 3.542,36 5.506,37 3.427,38 4.132,39 4.288,40 3.542,41 3.426,42 5.577,43 3.322,44 3.843,45 4.008,46 3.282,47 3.288,48 5.025,49 3.15,50 3.653,51 3.84,52 2.797,53 3.064,54 4.654,55 2.897,56 0.081,57 0.468,58 6.583,59 3.278,60 13.217,61 3.132,62 0.27,63 0.756,64 13.411,65 5.894,66 43.228,67 5.688,68 0.234,69 0.934,70 20.943,71 7.771,72 25.847,73 6.875,74 0.234,75 0.89,76 16.198,77 6.769,78 31.222,79 6.476,80 0.277,81 0.829,82 19.931,83 7.166,84 42.507,85 6.364,86 0.444,87 0.735,88 17.074,89 6.26,90 70.836,91 5.201,92 0.176,93 0.56,94 13.35,95 5.106,96 28.519,97 5.151,98 0.104,99 0.461,100 8.882,101 3.876,102 15.678,103 4.406,104 10,105 32,106 0.33,107 0.627,108 0.765,109 0.877,110 0.877,111 0.877,112 3.059,113 1.131,114 -2.82,115 -2.83,116 -2.74,120 43.8,121 1,143 7,144 1,145 1,146 1,147 1,153 1,154 1,174 5,176 1,177 3,180 2,182 2,185 8,189 6,194 4,197 4,201 7,204 1,206 3,209 3,214 6,219 1,222 5,226 2,227 4,235 6,240 2,247 8,252 1,260 4,264 1,271 2,274 444,275 13.248,276 13.248,277 13.248,278 13.248,279 13.248,280 11.052,281 8.463,282 7.722,283 13.689,284 10.87,285 10.87,286 10.87,287 10.87,288 10.87,289 7.575,290 5.991,291 3.662,292 11.63,293 3.198,294 1.575,295 0.825,296 0.211,297 0.211,298 0.211,299 3.733,305 1,306 1,307 1,308 339,309 3.082,312 52.139,313 95.144,317 81.616,320 1.08,321 24.05,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43,333 157,334 4.87,335 4.688,336 7.317,337 4.315,338 3.411,339 4.729,341 12.561,342 3.099,343 4.471,344 3.056,345 6.496,346 3.964,347 2.992,348 4.408,350 10.138,351 2.875,352 3.859,353 2.567,354 5.346,355 3.326,356 2.413,357 3.424,359 6.769,360 2.18,361 3.459,362 2.168,363 5.117,364 2.98,365 2.027,366 2.86,368 6.041,369 1.925,370 3.118,371 1.618,372 4.475,373 2.614,374 1.618,375 2.427,377 3.97,378 1.612,379 2.796,380 1.532,381 4.122,382 2.292,383 1.354,384 1.908,386 3.702,387 1.257,388 2.765,389 1.271,390 3.593,391 2.25,392 1.267,393 1.87,395 2.825,396 1.235,397 2.353,398 0.956,399 3.37,400 1.853,401 0.894,402 1.282,404 2.095,405 0.854,406 2.179,407 0.754,408 3.27,409 1.568,410 0.684,411 1.017,413 1.666,414 0.587,415 1.329,416 0.164,417 3.021,418 0.926,419 -0.04,420 -0.052,422 -0.105,423 -0.038,424 1,425 -0.075,426 2.54,427 0.357,428 -0.618,429 -0.881,431 -1.478,432 -0.6,433 0.882,434 -0.552,435 2.345,436 0.266,437 -0.715,438 -0.927,440 -1.792,441 -0.67,442 0.722,443 -0.618,444 2,445 0.169,446 -0.761,447 -1.022,449 -1.921,450 -0.716,451 0.477,452 -0.714,453 2,455 -1,456 -1.548,458 -2.903,459 -1,460 0.369,461 -1,462 2,463 -0.102,464 -1.093,465 -1.708,467 -3,468 -1.084,469 10.133,470 0.507,471 0.612,472 0.031,473 29.75,474 1.488,475 17.5,476 0.875,477 12.25,478 0.613,479 13.12,480 0.656,481 20.467,482 0.64,483 19.19,484 0.96,485 5.565,486 0.278,487 3.995,488 0.2,489 0.115,490 0.082,491 0.247,496 0.456,497 1.097,498 0.774,499 1.037,500 0.667,501 0.806,502 0.517,503 0.974,504 0.727,505 0.802,506 0.533,507 0.831,508 1.026,509 1.325,510 1.305,511 1.369,512 0.967,513 1.1,514 1.266,515 1.11,516 1.023,517 1.038,518 1.184,519 1.037,520 1.532,521 1.01,522 1.246,523 1.125,524 1.493,525 0.964,526 2.009,527 0.675,528 1.161,529 0.803,530 2.167,531 0.851,532 1.054,533 0.919,534 1.093,535 1.021,536 1.108,537 0.979,538 0.657,539 1.082,540 1.023,541 1.062,542 0.603,543 1.298,544 5,545 0.012,546 2.889,547 1.563,548 1.411,549 0.556,550 0.362,551 0.196,552 0.116,553 0.046,554 3581,555 11229,556 2.065,557 37.5,559 7,561 1,562 1,563 3,567 1.621,568 1.92,569 2.976,570 -0.222,572 1,574 1,575 57.677,576 1.802,577 3.425,578 4.175,579 4.789,580 4.789,581 4.789,582 2.38,583 3.784,584 4.298,585 3.069,586 583.148,587 7.355,588 5825.53,589 1,590 1,591 1,592 1,593 160,594 1.601,595 4.237,596 0.227,597 0.012,598 0.09,599 0.052,600 0.052,601 0.023,602 0.017,603 0.012,604 0.011,605 0.009,606 0.506,607 0.5,608 1,609 0.627,610 87.11,611 0.129,612 -0.069,613 0.182,614 -0.049,615 -0.177,616 0.049,617 0.351,618 0.041,619 0.182,620 0.139,621 0.291,622 0.035,623 -0.062,624 -0.275,625 -0.142,626 -0.265,627 -0.049,628 -0.158,629 -0.129,630 -0.099,631 -0.091,632 -0.108,633 -0.053,634 -0.129,635 -0.223,636 -0.008,637 -0.124,638 -0.054,639 -0.085,640 0.004,641 -0.29,642 0.301,643 -0.162,644 0.182,645 -0.237,646 0.068,647 -0.125,648 -0.012,649 -0.088,650 -0.008,651 -0.105,652 0.031,653 -0.092,654 -0.196,655 -0.237,656 -0.21,657 -0.098,658 -0.309,659 4.46,660 5.337,661 0.75,662 11.4,663 1.013,664 1.104,665 1.593,666 2.538,667 0.751,668 3.135,669 3.497,670 3.738,671 3.989,672 4.159,673 4.127,674 4.111,675 4.22,676 4.248,677 4.06,678 4.73,679 0.703,680 304.42,681 3.135,682 4.691,683 5.541,684 6.438,685 7.309,686 8.205,687 9.083,688 9.98,689 10.86,690 11.756,691 6.3,696 1,701 1,708 2,709 8,710 1,713 1,714 3,716 16,738 32,739 18,740 1,741 22,743 34,744 14,745 13,746 3,747 3,752 3,753 4,759 1,768 13,769 1,772 2,776 1,778 2,785 1,786 1,789 12,790 4,791 1,792 6,793 2,797 2,803 0.667,804 2,816 1,822 1,823 2,827 1,855 2,857 2,859 1,862 20,866 1,871 1,880 1,886 6.3,889 2,893 10.417,894 6.033,895 4.264,896 1.749,898 3.071,899 1.466,900 1.034,901 3.383,902 9.666,903 3.497,904 4.201,905 4.765,906 5.367,907 5.852,908 6.091,909 6.347,910 6.768,911 7.12,912 7.022,913 1,914 30,915 7.595,917 3.489,918 7.929,919 13.986,921 11.735,924 2.429,925 48.583,929 129.482,930 130.124,931 33.191,933 44.313,935 37.085,936 93.039,937 173.795,938 33.191,939 8.825,941 72.141,942 89.275,943 16.521,944 1.358,945 148.989,947 129.482,948 126.229,949 44.313,950 37.085,952 129.482,953 44.313,956 20.017,957 73.022,958 38.998,959 31.278,960 129.482,961 77.503,962 130.124,964 5.807,965 129.482,966 40.11,967 84.206,968 16.405,969 61.098,970 129.482,971 77.503,972 130.124,973 0.593,974 0.342,975 0.183,976 0.099,977 17,978 7,979 0.088,980 3,981 1,982 1.133,983 3.184,984 153.966,985 0.133,986 15,987 84.439,989 1,992 1,993 13.376,994 5.058,995 2.664,996 1.543,997 77.503,998 14.103,999 4.217,1002 1.253,1003 1.822,1005 16.405,1006 337.109,1007 32,1011 -3.543,1013 24.675,1020 32.429,1021 35.331,1022 0.36,1023 0.685,1024 0.835,1025 0.958,1026 0.958,1027 0.958,1028 4.727,1029 0.894,1030 5.58,1031 2.825,1032 4.174,1033 4.887,1035 6.457,1036 4.046,1037 6.004,1038 0.684,1039 7.189,1040 2.095,1041 4.007,1042 5.037,1044 7.743,1045 3.774,1046 7.378,1047 -0.04,1048 8.919,1049 1.666,1050 5.889,1051 7.307,1053 10.777,1054 5.613,1055 8.8,1056 -0.618,1057 10.722,1058 -0.105,1059 6.538,1060 8.272,1062 12.873,1063 6.137,1064 10.257,1065 -0.715,1066 12.575,1067 -1.478,1068 7.961,1069 10.064,1071 15.524,1072 7.519,1073 11.74,1074 -0.761,1075 14.46,1076 -1.792,1077 8.944,1078 11.363,1080 17.891,1081 8.379,1082 13.242,1083 -1,1084 16.368,1085 -1.921,1086 10.214,1087 12.988,1089 20.441,1090 9.592,1091 3.411,1092 -1.093,1093 18.293,1094 -2.903,1095 11.33,1096 14.424,1098 22.902,1099 10.596,1100 2.992,1101 12.561,1102 20.23,1103 -3,1104 12.552,1105 15.989,1107 25.427,1108 11.745,1109 2.413,1110 10.138,1111 22.176,1112 4.729,1113 13.723,1114 17.481,1116 27.924,1117 12.81,1118 2.027,1119 6.769,1120 24.13,1121 4.408,1122 14.933,1123 19.026,1125 30.444,1126 13.935,1127 1.618,1128 6.041,1129 26.089,1130 3.424,1131 16.127,1132 20.542,1134 32.956,1135 15.027,1136 1.354,1137 3.97,1138 28.053,1139 2.86,1140 17.337,1141 22.081,1143 35.478,1144 16.144,1145 1.267,1146 3.702,1147 30.021,1148 2.427,1149 18.542,1150 23.608,1152 37.998,1153 17.249,1154 3501,1155 6353,1156 14.504,1157 24.023,1158 33.557,1159 33.926,1160 34.072,1161 33.303,1162 33.319,1163 47.852,1165 99.534,1166 31.248,1167 5.707,1168 6.688,1169 7.006,1170 5.474,1171 5.411,1172 7.729,1174 20.081,1175 5.099,1176 8.943,1177 1.525,1178 1.542,1179 1.549,1180 1.514,1181 1.514,1182 2.175,1184 4.524,1185 1.42,1186 4.125,1187 4.127,1188 4.787,1189 4.134,1190 7.717,1191 4.044,1192 3.977,1193 3.962,1194 4.057,1195 3.962,1196 6.999,1197 3.917,1198 3.604,1199 3.603,1200 3.982,1201 3.555,1202 4.997,1203 3.457,1204 3.426,1205 3.462,1206 3.341,1207 3.338,1208 4.615,1209 3.32,1210 3.02,1211 3.108,1212 2.922,1213 2.862,1214 4.399,1215 2.86,1216 2.942,1217 2.995,1218 2.742,1219 2.772,1220 4.003,1221 2.739,1222 2.664,1223 2.722,1224 2.682,1225 2.572,1226 3.716,1227 2.558,1228 2.477,1229 2.572,1230 2.539,1231 2.298,1232 3.597,1233 2.237,1234 0.221,1235 0.213,1236 0.333,1237 0.196,1238 0.155,1239 4.87,1240 0.215,1241 4.688,1243 7.317,1244 0.571,1245 4.315,1246 0.141,1247 3.411,1248 4.729,1250 12.561,1251 3.099,1252 2.039,1253 2.02,1254 2.103,1255 2.126,1256 1.227,1257 2.13,1258 1.71,1259 1.766,1260 1.76,1261 1.787,1262 0.927,1263 1.851,1264 1.562,1265 1.531,1266 1.638,1267 1.665,1268 0.881,1269 1.716,1270 1.444,1271 1.402,1272 1.49,1273 1.562,1274 0.651,1275 1.591,1276 1.09,1277 1.055,1278 1.23,1279 1.28,1280 0.362,1281 1.316,1282 0.895,1283 0.856,1284 0.968,1285 1.091,1286 0.195,1287 1.11,1288 0.688,1289 0.636,1290 0.948,1291 0.839,1292 0.059,1293 0.879,1294 0.603,1295 0.558,1296 0.774,1297 0.774,1299 0.838,1300 3.807,1302 5.153,1303 2.398,1304 6.693,1305 4.595,1306 8.321,1307 6.581,1308 9.994,1310 1.88,1317 2.634,1326 22.481,1327 57.677,1328 109.594,1329 133.594,1330 153.245,1331 153.245,1332 153.245,1333 34.612,1334 6.594,1335 59.06,1336 95.68,1337 17,1338 12.284,1339 4.248,1340 3.459,1341 29.853,1342 57,1343 54,1344 0.266,1345 146.234,1346 239.1,1347 348.571,1348 5587,1350 14.165,1351 0.708,1352 0.617,1353 14.768,1354 12.332,1355 9.56,1356 0.435,1357 0.377,1358 6.134,1359 8.157,1360 5.752,1361 4.789,1362 10.79,1363 8.291,1364 9.207,1365 0.288,1366 0.236,1367 11.271,1368 7.543,1369 7.311,1370 0.178,1371 0.14,1372 9.381,1373 5.729,1374 6.084,1375 0.115,1376 0.081,1377 7.96,1378 4.307,1379 4.797,1380 0.076,1381 0.05,1382 6.614,1383 3.15,1384 0.401,1385 71.492,1386 0.263,1387 19.558,1388 0.773,1389 108,1390 333.17,1391 183.832,1392 367.879,1393 499.93,1394 338,1395 127,1396 326.311,1397 203.162,1398 384.781,1399 560.49,1400 360,1401 5.408}
{0 CHEMBL1486503,1 1.995,2 8.571,3 2.265,4 5.128,5 77.116,6 10.493,7 0.217,8 3.556,9 3.628,10 3.444,11 3.114,12 4.937,13 3.133,14 4.008,15 4.095,16 3.893,17 3.485,18 5.557,19 3.506,20 4.125,21 4.218,22 3.797,23 3.501,24 5.633,25 3.504,26 4.157,27 4.303,28 3.77,29 3.405,30 5.718,31 3.432,32 3.991,33 4.123,34 3.517,35 3.236,36 5.537,37 3.255,38 3.925,39 4.068,40 3.358,41 3.112,42 5.381,43 3.133,44 3.767,45 3.918,46 3.302,47 2.929,48 5.196,49 2.948,50 3.601,51 3.727,52 3.293,53 2.757,54 5.68,55 2.763,56 0.225,57 0.479,58 2.227,59 2.358,60 21.396,61 1.859,62 0.436,63 0.74,64 6.11,65 3.915,66 60.046,67 3.405,68 0.557,69 0.795,70 10.988,71 5.106,72 53.167,73 3.777,74 0.567,75 0.785,76 9.575,77 4.299,78 87.954,79 3.465,80 0.555,81 0.624,82 8.185,83 3.858,84 63.477,85 3.301,86 0.473,87 0.595,88 7.428,89 3.54,90 74.115,91 2.558,92 0.454,93 0.485,94 7.722,95 3.28,96 62.373,97 2.671,98 0.486,99 0.399,100 7.424,101 2.873,102 96.053,103 2.81,104 27,105 34,106 0.374,107 0.802,108 0.853,109 0.866,110 0.866,111 0.866,112 3.104,113 0.862,114 -3.77,115 -3.73,116 -3.55,120 41.4,121 1,136 1,137 1,138 1,139 1,143 2,153 1,154 1,159 2,160 1,167 2,174 2,176 4,177 9,180 1,182 1,185 2,188 2,189 8,194 1,197 2,200 1,201 5,204 2,206 1,209 2,213 3,214 6,217 1,219 2,222 2,227 6,232 1,235 1,239 3,240 1,243 1,247 1,251 6,252 1,255 2,260 2,264 1,271 1,274 545,275 13.671,276 13.671,277 13.671,278 13.671,279 13.671,280 11.939,281 15.096,282 7.747,283 14.088,284 11.324,285 11.324,286 11.324,287 11.324,288 11.324,289 8.519,290 15.483,291 3.681,292 12.018,293 2.863,294 0.578,295 0.302,296 0.233,297 0.233,298 0.233,299 3.773,306 1,307 1,308 384,309 2.828,312 101.127,313 52.172,316 82.778,320 1.265,321 35.009,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 48,333 180,334 4.529,335 4.698,336 6.77,337 4.163,338 3.227,339 4.067,340 3.836,341 11.033,342 3.053,343 4.302,344 3.782,345 6.047,346 3.827,347 2.856,348 3.887,349 2.612,350 8.731,351 2.769,352 3.977,353 3.656,354 5.953,355 3.537,356 2.599,357 3.327,358 1.284,359 8.302,360 2.404,361 3.644,362 3.184,363 5.209,364 3.141,365 2.159,366 3.021,367 0.982,368 6.26,369 2.116,370 3.464,371 2.924,372 5.171,373 2.958,374 2.025,375 2.663,376 0.64,377 6.051,378 1.865,379 3.265,380 2.566,381 4.79,382 2.732,383 1.812,384 2.367,385 0.085,386 5.197,387 1.648,388 2.788,389 1.905,390 3.922,391 2.158,392 1.165,393 1.791,395 2.861,396 1.153,397 2.328,398 1.603,399 3.704,400 1.767,401 0.85,402 1.08,404 2.402,405 0.758,406 2.164,407 1.137,408 3.329,409 1.658,410 0.661,411 0.985,413 1.612,414 0.659,415 1.984,416 1,417 3.252,418 1.359,419 0.409,420 0.613,422 1.083,423 0.387,424 1.226,425 0.889,426 2.722,427 0.618,428 -0.309,429 -0.415,431 -0.827,432 -0.279,433 1,434 0.695,435 2.49,436 0.348,437 -0.666,438 -0.828,440 -1.876,441 -0.666,442 0.707,443 0.396,444 2,445 0.178,446 -0.772,447 -0.879,449 -1.886,450 -0.731,451 0.445,452 -0.162,453 1.79,455 -1,456 -1.512,458 -2,459 -1,460 0.192,461 -0.352,462 1.693,463 -0.249,464 -1.178,465 -1.678,467 -3.317,468 -1.038,469 9.767,470 0.465,471 0.72,472 0.034,473 28.5,474 1.357,475 14,476 0.667,477 14.5,478 0.69,479 14.186,480 0.676,481 22.033,482 0.76,483 20.774,484 0.989,485 5.679,486 0.27,487 4.273,488 0.203,489 0.195,491 0.44,496 0.602,497 1.131,498 0.622,499 0.82,500 0.604,501 0.761,502 0.558,503 0.993,504 0.636,505 0.917,506 0.44,507 0.751,508 0.872,509 1.374,510 1.361,511 1.339,512 0.657,513 1.159,514 0.998,515 0.95,516 0.848,517 0.891,518 1.056,519 0.928,520 0.909,521 0.899,522 0.938,523 0.885,524 0.937,525 1.024,526 1.328,527 1.201,528 1.147,529 1.046,530 1.313,531 1.201,532 1.189,533 0.632,534 0.922,535 0.851,536 1.331,537 0.951,538 0.405,539 0.748,540 0.964,541 0.94,542 0.482,543 0.913,544 5.5,545 0.073,546 2.667,547 2.104,548 1.646,549 0.636,550 0.41,551 0.34,552 0.144,553 0.116,554 4089,555 17364,556 2.018,557 27.6,559 3,560 1,562 1,564 3,567 1.632,568 1.826,569 3.08,570 -0.104,572 1,574 1,575 57.862,576 1.995,577 4.28,578 4.556,579 4.625,580 4.625,581 4.625,582 2.498,583 4.107,584 4.364,585 3.212,586 674.52,587 7.48,588 6986.54,589 1,590 1,592 1,593 140.881,594 1.545,595 4.289,596 0.239,597 0.015,598 0.078,599 0.066,600 0.057,601 0.026,602 0.02,603 0.02,604 0.009,605 0.014,606 0.545,607 0.5,608 1,609 0.911,610 93.844,611 0.054,612 -0.042,613 0.036,614 0.062,615 -0.071,616 0.014,617 0.214,618 0.059,619 0.213,620 0.058,621 0.195,622 0.117,623 -0.027,624 -0.345,625 -0.333,626 -0.26,627 0.037,628 -0.243,629 -0.115,630 0.044,631 0.045,632 -0.004,633 -0.083,634 0.025,635 0.051,636 0.04,637 -0.096,638 -0.013,639 -0.034,640 -0.068,641 -0.377,642 -0.256,643 -0.282,644 -0.18,645 -0.306,646 -0.251,647 -0.116,648 0.285,649 0.073,650 0.083,651 -0.274,652 0.073,653 0.781,654 0.209,655 0.247,656 0.143,657 0.897,658 0.109,659 2.671,660 4.964,661 0.667,662 14.141,663 1.054,664 1.123,665 2.54,666 6.45,667 0.725,668 3.178,669 3.555,670 3.829,671 4.111,672 4.263,673 4.344,674 4.407,675 4.533,676 4.431,677 4.394,678 5.107,679 0.731,680 304.31,681 3.178,682 4.745,683 5.609,684 6.512,685 7.397,686 8.3,687 9.193,688 10.096,689 10.993,690 11.896,691 13.8,694 1,700 2,702 1,709 2,712 1,714 2,716 5,731 1,738 29,739 12,741 23,743 31,744 12,745 4,748 5,752 3,753 4,759 1,768 11,769 1,772 7,775 1,777 1,778 3,780 2,781 1,782 5,786 1,788 1,789 8,790 7,791 1,792 9,793 1,797 4,799 1,803 0.667,804 4,822 2,823 1,826 1,845 2,846 1,851 1,855 2,856 1,857 1,859 1,862 21,873 1,875 1,886 13.8,889 1,891 1,892 2,893 11.5,894 5.767,895 4.472,896 1.557,898 2.542,899 1.373,900 0.98,901 3.276,902 9.357,903 3.512,904 4.115,905 4.634,906 5.159,907 5.516,908 5.911,909 6.186,910 6.592,911 6.778,912 7.002,913 0.833,914 32,915 7.73,917 3.439,918 8.357,919 13.803,921 11.17,924 2.857,925 60,929 82.398,930 101.452,931 57.252,933 85.399,935 32.22,936 69.232,937 167.797,938 57.252,939 14.495,940 9.047,941 28.429,942 33.728,943 69.295,944 17.913,945 102.846,946 50.747,947 82.398,948 126.484,949 85.399,950 32.22,952 47.084,953 69.966,954 50.747,956 65.427,957 44.36,958 16.697,959 32.22,960 82.398,961 142.651,962 101.452,965 82.398,966 55.15,967 55.096,969 133.857,970 82.398,971 142.651,972 101.452,973 0.601,974 0.352,975 0.187,976 0.098,977 18,978 9,979 0.065,980 2,981 1,982 1.143,983 3.245,984 165.025,985 0.143,986 14,987 90.239,989 1,993 13.798,994 4.985,995 2.436,997 136.981,998 2.554,1001 4.965,1003 -0.297,1005 31.672,1006 326.5,1007 32.5,1010 -0.671,1012 8.057,1013 33.088,1015 2.987,1016 3.894,1017 0.773,1020 30.56,1021 32.581,1022 0.411,1023 0.881,1024 0.938,1025 0.952,1026 0.952,1027 0.952,1028 4.781,1029 0.85,1030 5.638,1031 2.861,1032 4.234,1033 4.8,1034 3.836,1035 6.491,1036 4.127,1037 6.028,1038 0.661,1039 7.232,1040 2.402,1041 4.007,1042 4.771,1043 2.854,1044 7.445,1045 3.853,1046 7.365,1047 0.409,1048 8.92,1049 1.612,1050 5.878,1051 6.976,1052 6.159,1053 10.55,1054 5.668,1055 8.733,1056 -0.309,1057 10.659,1058 1.083,1059 6.415,1060 7.715,1061 5.465,1062 12.295,1063 6.157,1064 10.127,1065 -0.666,1066 12.431,1067 -0.827,1068 7.812,1069 9.414,1070 8.718,1071 14.937,1072 7.505,1073 11.538,1074 -0.772,1075 14.226,1076 -1.876,1077 8.682,1078 10.492,1079 8.181,1080 17.028,1081 8.324,1082 12.964,1083 -1,1084 16.038,1085 -1.886,1086 9.91,1087 12,1088 11.337,1089 19.509,1090 9.504,1091 3.227,1092 -1.178,1093 17.864,1094 -2,1095 10.931,1096 13.237,1097 10.959,1098 21.76,1099 10.472,1100 2.856,1101 11.033,1102 19.701,1103 -3.317,1104 12.1,1105 14.668,1106 13.978,1107 24.184,1108 11.591,1109 2.599,1110 8.731,1111 21.548,1112 4.067,1113 13.191,1114 15.981,1115 13.758,1116 26.509,1117 12.627,1118 2.159,1119 8.302,1120 23.403,1121 3.887,1122 14.342,1123 17.382,1124 16.629,1125 28.913,1126 13.727,1127 2.025,1128 6.26,1129 25.264,1130 3.327,1131 15.466,1132 18.732,1133 16.556,1134 31.275,1135 14.795,1136 1.812,1137 6.051,1138 27.131,1139 3.021,1140 16.615,1141 20.122,1142 19.286,1143 33.673,1144 15.891,1145 1.165,1146 5.197,1147 29.004,1148 2.663,1149 17.755,1150 21.491,1151 19.343,1152 36.053,1153 16.975,1154 4055,1155 8498,1156 14.74,1157 21.011,1158 36.627,1159 38.638,1160 37.166,1161 35.56,1162 35.524,1163 47.6,1164 18.878,1165 107.066,1166 33.625,1167 5.464,1168 6.658,1169 6.005,1170 5.278,1171 5.227,1172 6.827,1173 7.528,1174 18.565,1175 5.026,1176 12.429,1177 1.592,1178 1.68,1179 1.616,1180 1.546,1181 1.545,1182 2.07,1183 0.821,1184 4.655,1185 1.462,1186 4.026,1187 4.038,1188 4.102,1189 3.866,1190 7.815,1191 3.881,1192 3.87,1193 3.898,1194 3.962,1195 3.718,1196 7.431,1197 3.717,1198 3.547,1199 3.572,1200 3.604,1201 3.412,1202 6.999,1203 3.409,1204 3.368,1205 3.393,1206 3.348,1207 2.953,1208 5.819,1209 3.046,1210 3.064,1211 3.123,1212 3.081,1213 2.808,1214 5.015,1215 2.838,1216 2.974,1217 3.049,1218 2.844,1219 2.713,1220 4.614,1221 2.747,1222 2.649,1223 2.737,1224 2.603,1225 2.413,1226 4.123,1227 2.409,1228 2.389,1229 2.418,1230 2.348,1231 2.2,1232 3.857,1233 2.179,1234 0.197,1235 0.204,1236 0.294,1237 0.181,1238 0.14,1239 4.529,1240 0.177,1241 4.698,1242 0.167,1243 6.77,1244 0.48,1245 4.163,1246 0.133,1247 3.227,1248 4.067,1249 3.836,1250 11.033,1251 3.053,1252 1.769,1253 1.745,1254 1.832,1255 1.965,1256 0.916,1257 1.901,1258 1.555,1259 1.528,1260 1.729,1261 1.923,1262 0.855,1263 1.825,1264 1.532,1265 1.499,1266 1.634,1267 1.668,1268 0.651,1269 1.703,1270 1.35,1271 1.334,1272 1.403,1273 1.552,1274 0.366,1275 1.542,1276 0.932,1277 0.898,1278 1.139,1279 1.237,1280 0.169,1281 1.196,1282 0.891,1283 0.822,1284 0.983,1285 1.219,1286 0.001,1287 1.17,1288 0.673,1289 0.636,1290 0.942,1291 1.041,1293 1.017,1294 0.588,1295 0.546,1296 0.642,1297 0.845,1299 0.845,1300 3.85,1302 5.209,1303 3.045,1304 6.739,1305 5.352,1306 8.356,1307 7.402,1308 10.024,1310 1.85,1319 1.309,1321 1.491,1326 21.186,1327 57.862,1328 124.127,1329 132.127,1330 134.127,1331 134.127,1332 134.127,1333 41.651,1334 6.815,1335 117.18,1336 145.42,1337 16,1338 12.417,1339 3.7,1340 3.392,1341 32.188,1342 63,1343 62,1344 0.254,1345 134.572,1346 244.73,1347 320.116,1348 7131,1350 15.146,1351 0.721,1352 0.548,1353 15.499,1354 11.509,1355 9.952,1356 0.433,1357 0.287,1358 5.728,1359 8.861,1360 5.545,1361 4.579,1362 10.361,1363 6.605,1364 9.655,1365 0.284,1366 0.161,1367 10.384,1368 5.464,1369 7.871,1370 0.175,1371 0.082,1372 8.542,1373 3.67,1374 6.613,1375 0.11,1376 0.045,1377 7.438,1378 2.679,1379 4.946,1380 0.071,1381 0.024,1382 5.614,1383 1.666,1384 0.389,1385 68.324,1386 0.26,1387 20.526,1388 0.725,1389 114,1390 463.071,1391 159.384,1392 457.471,1393 607.61,1394 420,1395 136,1396 436.834,1397 175.335,1398 445.507,1399 652.41,1400 416,1401 4.521}
{0 CHEMBL1486651,1 1.6,2 13.038,3 3.969,4 15.756,5 103.191,6 7.719,7 0.571,8 3.957,9 4.06,10 3.598,11 3.535,12 5.048,13 3.488,14 4.476,15 4.634,16 3.902,17 3.883,18 5.534,19 3.806,20 4.622,21 4.807,22 3.91,23 3.898,24 5.658,25 3.808,26 4.656,27 4.864,28 3.822,29 3.898,30 5.633,31 3.767,32 4.607,33 4.845,34 3.691,35 3.819,36 5.593,37 3.68,38 4.434,39 4.614,40 3.749,41 3.748,42 5.522,43 3.632,44 4.505,45 4.732,46 3.673,47 3.724,48 5.528,49 3.561,50 4.377,51 4.597,52 3.355,53 3.573,54 5.311,55 3.439,56 0.017,57 0.659,58 10.083,59 4.82,60 6.027,61 5.824,62 0.206,63 1.067,64 22.321,65 8.512,66 21.07,67 10.122,68 0.386,69 1.18,70 25.445,71 8.604,72 38.294,73 10.721,74 0.289,75 1.222,76 26.959,77 9.561,78 35.535,79 11.752,80 0.389,81 1.151,82 29.246,83 9.678,84 42.614,85 11.854,86 0.244,87 0.967,88 20.63,89 8.057,90 31.074,91 9.689,92 0.366,93 1.037,94 26.012,95 9.004,96 41.57,97 10.835,98 0.327,99 0.902,100 22.722,101 7.253,102 32.798,103 8.59,104 11,105 37,106 0.272,107 0.615,108 0.804,109 0.859,110 0.859,111 0.859,112 3.303,113 1.043,114 -3.7,115 -3.66,116 -3.49,120 41.7,121 2,122 1,126 3,143 6,144 2,147 1,152 1,153 2,159 1,162 1,174 9,176 1,177 5,180 1,185 9,189 7,192 1,194 2,197 7,201 5,206 1,209 5,213 1,214 3,222 4,226 1,227 4,230 1,235 5,239 1,240 3,243 1,245 1,247 4,252 1,257 1,260 2,263 1,264 3,269 2,271 2,274 1134,275 17.731,276 17.731,277 17.731,278 17.731,279 17.731,280 15.648,281 15.437,282 10.651,283 17.994,284 13.759,285 13.759,286 13.759,287 13.759,288 13.759,289 10.554,290 14.039,291 5.011,292 14.159,293 3.985,294 1.968,295 0.855,296 0.531,297 0.531,298 0.531,299 3.984,305 1,306 1,307 1,308 721,309 3.464,312 172.597,313 96.253,320 2.121,321 22.297,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56,333 339,334 4.406,335 4.33,336 6.323,337 4.009,338 3.033,339 4.106,340 3.578,341 9.677,342 2.96,343 3.998,344 3.524,345 5.839,346 3.612,347 2.622,348 3.575,349 1.845,350 7.985,351 2.594,352 3.932,353 3.084,354 5.374,355 3.564,356 2.573,357 3.482,358 0.578,359 7.054,360 2.548,361 3.635,362 2.772,363 5.285,364 3.305,365 2.319,366 2.921,367 0.171,368 6.706,369 2.277,370 3.587,371 2.732,372 4.996,373 3.264,374 2.266,375 2.811,377 5.988,378 2.254,379 2.799,380 2.49,381 4.309,382 2.456,383 1.538,384 1.891,386 4.024,387 1.401,388 2.686,389 2.206,390 4.17,391 2.282,392 1.299,393 1.746,395 3.557,396 1.276,397 2.657,398 1.541,399 3.543,400 2.261,401 1.286,402 1.706,404 2.812,405 1.248,406 2.5,407 1.424,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.155,416 1.294,417 3.317,418 1.792,419 0.944,420 1.097,422 2.182,423 0.778,424 2.118,425 1,426 3,427 1.618,428 0.618,429 0.927,431 1.372,432 0.618,433 1.672,434 0.914,435 2.856,436 1.483,437 0.487,438 0.549,440 0.926,441 0.485,442 1.644,443 0.618,444 2.79,445 1.355,446 0.403,447 0.477,449 0.736,450 0.378,451 1.062,452 0.573,453 2.385,454 0.733,455 -0.194,456 -0.229,458 -0.465,459 -0.172,460 0.822,461 0.103,462 2.344,463 0.515,464 -0.484,465 -0.594,467 -0.964,468 -0.483,469 12.633,470 0.486,471 0.52,472 0.02,473 31.75,474 1.221,475 15.5,476 0.596,477 16.25,478 0.625,479 22.394,480 0.861,481 28.167,482 0.587,483 20.654,484 0.794,485 5.966,486 0.229,487 6.686,488 0.257,489 0.106,491 0.277,496 0.798,497 1.203,498 0.759,499 1.011,500 0.625,501 0.958,502 0.835,503 1.163,504 1.127,505 1.196,506 0.625,507 0.998,508 1.298,509 1.074,510 0.969,511 0.983,512 1.284,513 1.004,514 1.142,515 1.14,516 1.078,517 1.083,518 1.095,519 1.102,520 0.934,521 0.868,522 1.193,523 1.004,524 1.044,525 0.876,526 0.996,527 1.1,528 0.964,529 1.112,530 1.151,531 1.116,532 0.866,533 1.02,534 1.179,535 1.091,536 1.086,537 0.99,538 1.513,539 0.865,540 1.413,541 1.013,542 1.437,543 0.985,544 5,545 0.085,546 2.667,547 1.264,548 1.082,549 0.792,550 0.38,551 0.266,552 0.225,553 0.141,554 9292,555 24612,556 2.059,557 45.8,558 5,559 12,560 1,562 1,563 3,567 1.684,568 1.95,569 3.655,570 -0.332,572 1,575 76.777,576 1.6,577 3.617,578 4.73,579 5.054,580 5.054,581 5.054,582 3.123,583 4.287,584 4.669,585 3.844,586 1249.2,587 8.054,588 16816.1,590 1,592 1,593 268.078,594 1.3,595 4.642,596 0.179,597 0.004,598 0.072,599 0.038,600 0.037,601 0.028,602 0.014,603 0.011,604 0.011,605 0.007,606 0.402,607 0.33,608 1,609 0.721,610 131.489,611 -0.025,612 -0.092,613 0.069,614 -0.012,615 -0.03,616 0.006,617 0.1,618 -0.081,619 -0.038,620 -0.103,621 0.086,622 -0.016,623 -0.098,624 -0.055,625 -0.005,626 -0.022,627 -0.137,628 -0.064,629 -0.124,630 -0.122,631 -0.065,632 -0.092,633 -0.129,634 -0.139,635 0.027,636 0.146,637 -0.019,638 0.074,639 0.049,640 0.122,641 0.051,642 -0.103,643 0.031,644 -0.095,645 0.067,646 -0.14,647 0.138,648 -0.014,649 0.042,650 0.024,651 0.089,652 0.014,653 -0.302,654 0.162,655 -0.271,656 0.027,657 -0.257,658 -0.026,659 1.692,660 4.883,661 0.615,662 28.74,663 1.002,664 1.119,665 2.465,666 6.077,667 0.68,668 3.367,669 3.638,670 3.85,671 4.025,672 4.111,673 4.174,674 4.205,675 4.22,676 4.304,677 4.205,678 7.58,679 0.638,680 370.51,681 3.367,682 4.875,683 5.694,684 6.535,685 7.371,686 8.218,687 9.062,688 9.913,689 10.762,690 11.616,691 4.2,698 1,701 1,709 7,710 1,712 2,714 6,716 16,738 48,739 17,740 1,741 28,743 50,744 20,745 13,746 2,747 4,752 3,753 3,759 2,766 1,768 14,769 6,772 1,778 1,782 1,786 1,788 1,789 22,790 5,791 1,792 6,793 1,797 2,803 1,804 3,808 1,822 2,823 1,838 1,855 3,856 1,857 1,859 2,862 26,869 4,871 1,873 1,886 6.3,889 1,891 2,893 13.333,894 9.2,895 5.889,896 2.913,898 2.569,899 1.37,900 0.966,901 6.586,902 9.51,903 3.638,904 4.19,905 4.705,906 5.209,907 5.502,908 5.753,909 6.05,910 6.328,911 6.627,912 6.582,913 0.889,914 33,915 9.604,917 3.939,918 7.692,919 18.447,921 14.613,924 2.192,925 57,928 1,929 247.193,930 154.657,931 34.796,933 44.16,935 32.22,936 122.437,937 291.353,938 34.796,939 17.65,940 24.45,941 68.597,942 51.655,943 28.143,944 22.669,945 267.642,947 247.193,948 157.233,949 44.16,950 32.22,952 247.193,953 44.16,956 49.878,957 90.57,958 16.786,959 32.22,960 247.193,961 78.956,962 154.657,965 247.193,966 68.409,967 86.247,968 18.011,969 60.945,970 247.193,971 78.956,972 154.657,973 0.568,974 0.326,975 0.163,976 0.08,977 16,978 7,979 0.16,980 8,982 1,983 4.012,984 198.307,986 16,987 118.211,989 1,993 18.806,994 9.106,995 5.263,997 78.956,998 13.472,999 4.585,1001 10.98,1003 5.301,1005 18.011,1006 480.806,1007 37,1013 11.883,1017 -0.025,1020 48.098,1021 53.697,1022 0.286,1023 0.648,1024 0.847,1025 0.905,1026 0.905,1027 0.905,1028 4.836,1029 1.286,1030 5.645,1031 3.557,1032 4.317,1033 4.875,1034 3.497,1035 6.375,1036 4.268,1037 6.016,1038 1,1039 7.155,1040 2.812,1041 3.761,1042 4.543,1043 1.593,1044 7.111,1045 3.744,1046 7.296,1047 0.944,1048 8.761,1049 2.275,1050 5.838,1051 7.001,1052 5.832,1053 10.145,1054 5.754,1055 8.614,1056 0.618,1057 10.423,1058 2.182,1059 6.133,1060 7.539,1061 3.522,1062 11.727,1063 6.071,1064 9.963,1065 0.487,1066 12.121,1067 1.372,1068 7.619,1069 9.398,1070 8.336,1071 14.246,1072 7.504,1073 11.333,1074 0.403,1075 13.845,1076 0.926,1077 8.306,1078 10.34,1079 5.911,1080 16.187,1081 8.194,1082 12.718,1083 -0.194,1084 15.588,1085 0.736,1086 9.55,1087 11.946,1088 10.871,1089 18.532,1090 9.398,1091 3.033,1092 -0.484,1093 17.344,1094 -0.465,1095 10.431,1096 13.095,1097 8.564,1098 20.639,1099 10.268,1100 2.622,1101 9.677,1102 19.112,1103 -0.964,1104 11.574,1105 14.585,1106 13.413,1107 22.924,1108 11.379,1109 2.573,1110 7.985,1111 20.889,1112 4.106,1113 12.554,1114 15.845,1115 11.274,1116 25.111,1117 12.34,1118 2.319,1119 7.054,1120 22.673,1121 3.575,1122 13.657,1123 17.282,1124 15.957,1125 27.377,1126 13.414,1127 2.266,1128 6.706,1129 24.464,1130 3.482,1131 14.69,1132 18.603,1133 13.977,1134 29.603,1135 14.423,1136 1.538,1137 5.988,1138 26.261,1139 2.921,1140 15.781,1141 20.017,1142 18.5,1143 31.865,1144 15.486,1145 1.299,1146 4.024,1147 28.063,1148 2.811,1149 16.842,1150 21.373,1151 16.663,1152 34.11,1153 16.522,1154 8964,1155 14766,1156 18.781,1157 32.637,1158 41.222,1159 44.505,1160 41.719,1161 40.743,1162 40.774,1163 53.577,1164 12.346,1165 110.59,1166 39.638,1167 5.34,1168 6.33,1169 5.955,1170 5.127,1171 5.033,1172 7.106,1173 7.135,1174 16.258,1175 4.96,1176 11.6,1177 1.472,1178 1.589,1179 1.49,1180 1.455,1181 1.456,1182 1.913,1183 0.441,1184 3.95,1185 1.416,1186 4.019,1187 4.038,1188 4.029,1189 3.922,1190 7.429,1191 3.925,1192 3.908,1193 3.923,1194 3.866,1195 3.747,1196 5.138,1197 3.765,1198 3.793,1199 3.821,1200 3.825,1201 3.681,1202 5.072,1203 3.677,1204 3.577,1205 3.607,1206 3.653,1207 3.424,1208 4.663,1209 3.401,1210 3.378,1211 3.456,1212 3.277,1213 3.238,1214 4.049,1215 3.218,1216 3.155,1217 3.227,1218 3.167,1219 3.013,1220 3.998,1221 2.966,1222 3.009,1223 3.106,1224 2.78,1225 2.806,1226 3.904,1227 2.787,1228 2.914,1229 2.973,1230 2.766,1231 2.737,1232 3.757,1233 2.726,1234 0.157,1235 0.155,1236 0.226,1237 0.143,1238 0.108,1239 4.406,1240 0.147,1241 4.33,1242 0.128,1243 6.323,1244 0.346,1245 4.009,1246 0.106,1247 3.033,1248 4.106,1249 3.578,1250 9.677,1251 2.96,1252 1.933,1253 1.909,1254 2.055,1255 2.015,1256 1.211,1257 2.028,1258 1.651,1259 1.621,1260 1.79,1261 1.848,1262 1.037,1263 1.838,1264 1.584,1265 1.546,1266 1.763,1267 1.754,1268 0.934,1269 1.761,1270 1.464,1271 1.411,1272 1.737,1273 1.659,1274 0.868,1275 1.686,1276 1.428,1277 1.386,1278 1.611,1279 1.587,1280 0.769,1281 1.603,1282 1.312,1283 1.29,1284 1.504,1285 1.549,1286 0.602,1287 1.546,1288 1.155,1289 1.102,1290 1.393,1291 1.416,1292 0.548,1293 1.407,1294 0.936,1295 0.875,1296 1.181,1297 1.186,1298 0.28,1299 1.194,1300 4.043,1302 5.323,1303 3.045,1304 6.772,1305 5.283,1306 8.295,1307 7.261,1308 9.861,1310 4.036,1315 2.423,1317 2.83,1319 1.515,1326 30.642,1327 76.777,1328 173.614,1329 227.059,1330 242.568,1331 242.568,1332 242.568,1333 43.425,1334 6.941,1335 68.27,1336 93.57,1337 16,1338 12.172,1339 4.17,1340 3.322,1341 44.74,1342 117,1343 113,1344 0.181,1345 193.726,1346 330.54,1347 464.452,1348 9943,1350 18.355,1351 0.706,1352 0.606,1353 18.709,1354 15.767,1355 12.652,1356 0.452,1357 0.348,1358 8.573,1359 11.73,1360 8.185,1361 6.826,1362 13.152,1363 9.733,1364 10.922,1365 0.295,1366 0.187,1367 11.387,1368 6.907,1369 9.034,1370 0.196,1371 0.108,1372 9.67,1373 4.957,1374 6.935,1375 0.126,1376 0.06,1377 7.572,1378 3.309,1379 4.863,1380 0.081,1381 0.034,1382 5.384,1383 2.061,1384 0.296,1385 84.078,1386 0.231,1387 26.017,1388 0.463,1389 130,1390 402.045,1391 162.792,1392 401.306,1393 543.32,1394 378,1395 148,1396 383.151,1397 179.224,1398 392.513,1399 569.3,1400 368,1401 6.335}
{0 CHEMBL1486864,1 1.835,2 8.417,3 3.296,4 10.864,5 82.076,6 9.036,7 0.462,8 3.75,9 3.862,10 3.451,11 3.261,12 5.018,13 3.296,14 4.286,15 4.43,16 3.951,17 3.617,18 6.049,19 3.658,20 4.503,21 4.686,22 4.006,23 3.679,24 6.047,25 3.721,26 4.534,27 4.724,28 3.998,29 3.6,30 6.279,31 3.665,32 4.429,33 4.624,34 3.894,35 3.561,36 5.991,37 3.62,38 4.435,39 4.615,40 3.9,41 3.536,42 6.022,43 3.624,44 4.423,45 4.613,46 3.755,47 3.394,48 6.086,49 3.488,50 4.277,51 4.517,52 3.091,53 3.138,54 5.772,55 3.136,56 0.201,57 0.797,58 4.813,59 3.128,60 30.547,61 3.225,62 0.863,63 1.551,64 10.896,65 5.263,66 147.216,67 5.689,68 0.833,69 1.433,70 15.36,71 5.48,72 82.728,73 6.593,74 1.155,75 1.481,76 18.119,77 6.024,78 178.269,79 6.561,80 0.799,81 1.38,82 15.937,83 5.517,84 93.448,85 6.053,86 0.775,87 1.507,88 16.15,89 6.167,90 108.709,91 5.826,92 0.957,93 1.496,94 17.146,95 6.114,96 136.115,97 4.968,98 1.147,99 1.012,100 19.05,101 5.301,102 183.747,103 4.075,104 27,105 39,106 0.33,107 0.648,108 0.726,109 0.823,110 0.853,111 0.853,112 3.23,113 0.816,114 -5.01,115 -4.91,116 -4.6,120 43.2,121 1,132 1,133 1,143 8,144 1,147 1,148 1,159 2,174 8,177 4,180 4,182 2,185 8,188 1,189 3,192 1,193 1,194 3,197 4,200 1,201 4,206 5,209 1,213 1,214 5,217 1,219 4,227 6,232 3,235 1,240 5,245 3,247 3,252 2,260 6,264 1,271 7,274 862,275 15.518,276 15.518,277 15.518,278 15.518,279 15.518,280 13.73,281 15.733,282 8.955,283 15.958,284 12.826,285 12.826,286 12.826,287 12.826,288 12.826,289 10.177,290 21.418,291 4.244,292 13.637,293 3.375,294 1.608,295 1.176,296 0.635,297 0.473,298 0.473,299 3.9,305 1,306 1,307 1,308 427,309 3.536,312 67.453,313 166.5,320 1.368,321 47.688,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 55.5,333 202,334 4.918,335 4.639,336 8.504,337 4.765,338 3.853,339 4.099,340 3.02,341 16.607,342 3.528,343 4.146,344 3.732,345 6.257,346 3.773,347 2.824,348 3.659,349 2.044,350 9.195,351 2.7,352 4.02,353 2.958,354 5.939,355 3.576,356 2.637,357 3.565,358 0.857,359 7.885,360 2.485,361 3.584,362 2.824,363 5.503,364 3.246,365 2.351,366 2.76,367 0.605,368 7.213,369 2.041,370 3.291,371 2.499,372 4.84,373 2.916,374 1.952,375 2.538,376 0.124,377 5.352,378 1.874,379 3.182,380 2.084,381 4.556,382 2.682,383 1.705,384 2.365,386 4.356,387 1.658,388 2.717,389 1.907,390 4.451,391 2.321,392 1.372,393 1.766,395 3.926,396 1.273,397 2.648,398 1.244,399 3.552,400 2.143,401 1.173,402 1.636,404 2.608,405 1.13,406 2.5,407 1.204,408 3.493,409 2.019,410 1.045,411 1.5,413 2.566,414 1.013,415 2.483,416 1,417 3.344,418 2,419 1,420 1.45,422 2.136,423 1,424 1.21,425 0.669,426 3.28,427 0.875,428 -0.059,429 -0.069,431 -0.177,432 -0.055,433 0.992,434 0.51,435 3.247,436 0.567,437 -0.413,438 -0.518,440 -0.948,441 -0.404,442 0.845,443 0.51,444 2.652,445 0.443,446 -0.57,447 -0.76,449 -1.379,450 -0.567,451 0.749,452 0.119,453 2.095,454 0.316,455 -0.659,456 -0.858,458 -1.65,459 -0.64,460 0.5,461 -0.133,462 2,464 -1,465 -1,467 -2.347,468 -0.7,469 10.79,470 0.45,471 0.856,472 0.036,473 31.5,474 1.313,475 15.5,476 0.646,477 16,478 0.667,479 17.556,480 0.732,481 26.41,482 0.714,483 26.657,484 1.111,485 6.619,486 0.276,487 4.698,488 0.196,489 0.157,490 0.093,491 0.232,493 3,496 0.609,497 1.014,498 0.604,499 1.014,500 0.605,501 0.868,502 0.383,503 0.829,504 0.582,505 1.028,506 0.418,507 0.959,508 0.649,509 0.803,510 0.804,511 0.975,512 0.732,513 0.976,514 0.937,515 1.087,516 0.894,517 0.983,518 0.932,519 0.934,520 0.992,521 1,522 0.863,523 0.927,524 0.958,525 0.851,526 1.403,527 1.374,528 0.937,529 1.085,530 1.364,531 0.87,532 1.904,533 1.59,534 1.377,535 1.176,536 1.847,537 1.053,538 2.351,539 1.163,540 2.059,541 0.708,542 2.365,543 1.036,544 7,545 0.033,546 3.778,547 2.632,548 1.958,549 1.188,550 0.828,551 0.383,552 0.119,553 0.063,554 5435,555 19505,556 1.996,557 35.1,559 8,562 2,563 3,567 1.677,568 1.823,569 3.029,570 0.378,571 1,572 1,574 1,575 67.889,576 1.835,577 3.601,578 4.034,579 4.574,580 4.736,581 4.736,582 2.555,583 4.137,584 4.554,585 3.189,586 880.164,587 7.903,588 9950.16,589 1,590 1,591 1,592 1,593 192.75,594 1.742,595 4.474,596 0.269,597 0.005,598 0.097,599 0.066,600 0.052,601 0.033,602 0.023,603 0.013,604 0.009,605 0.006,606 0.573,607 0.33,608 1,609 0.854,610 111.16,611 -0.066,612 -0.1,613 0.006,614 -0.017,615 -0.107,616 0.023,617 0.441,618 0.195,619 0.189,620 -0.054,621 0.373,622 -0.074,623 0.17,624 0.077,625 0.061,626 -0.086,627 0.045,628 -0.092,629 0.162,630 -0.057,631 0.09,632 -0.054,633 0.174,634 -0.032,635 -0.016,636 -0.016,637 0.084,638 0.002,639 0.001,640 0.065,641 -0.244,642 -0.304,643 0.05,644 -0.099,645 -0.141,646 0.062,647 -0.428,648 -0.295,649 -0.294,650 -0.17,651 -0.296,652 -0.153,653 -0.685,654 0.198,655 -0.823,656 0.307,657 -0.623,658 -0.091,659 6.195,660 5.683,661 0.708,662 17.674,663 1.043,664 1.154,665 3.779,666 14.282,667 0.672,668 3.296,669 3.689,670 3.951,671 4.205,672 4.394,673 4.466,674 4.522,675 4.511,676 4.543,677 4.344,678 5.148,679 0.679,680 334.33,681 3.296,682 4.875,683 5.74,684 6.658,685 7.555,686 8.481,687 9.394,688 10.324,689 11.246,690 12.18,691 10.8,696 1,698 1,700 1,701 1,709 8,710 1,714 3,716 12,729 1,738 37,739 14,740 1,741 26,743 39,744 16,745 11,746 1,747 5,748 1,752 3,753 3,759 2,763 1,765 1,766 1,768 13,769 3,772 2,778 1,781 1,782 2,785 1,786 1,787 3,789 13,790 8,791 2,792 8,797 4,799 1,803 1,804 1,816 1,822 1,823 2,838 1,855 3,859 1,861 3,862 24,871 2,876 2,885 3,886 2.7,889 1,893 13.167,894 6.912,895 5.09,896 2.036,898 2.266,899 1.332,900 0.972,901 3.961,902 9.085,903 3.555,904 4.143,905 4.644,906 5.166,907 5.616,908 5.736,909 6.041,910 6.318,911 6.652,912 6.707,913 0.833,914 40,915 9.84,917 5.372,918 8.451,919 15.884,921 12.966,924 2.951,925 70.833,929 129.482,930 107.698,931 69.593,933 25.145,934 44.88,936 107.698,937 154.627,938 114.473,939 8.825,940 18.011,941 75.81,942 66.974,943 67.608,944 2.328,945 129.482,946 7.76,947 129.482,948 177.29,949 70.025,952 129.482,953 70.025,956 54.138,957 88.356,958 34.796,960 174.362,961 94.737,962 107.698,965 137.242,966 15.303,967 84.635,968 36.022,969 103.596,970 129.482,971 139.618,972 107.698,973 0.601,974 0.347,975 0.181,976 0.098,977 20,978 9,979 0.077,980 3,982 1,983 3.402,984 202.911,986 17,987 99.284,993 16.317,994 5.825,995 2.975,997 139.618,998 12.673,999 3.967,1003 0.819,1005 36.022,1006 376.797,1007 34,1013 12.18,1016 3.647,1017 -1.435,1020 38.574,1021 42.713,1022 0.352,1023 0.691,1024 0.774,1025 0.878,1026 0.909,1027 0.909,1028 4.836,1029 1.173,1030 5.82,1031 3.926,1032 4.369,1033 4.828,1034 3.174,1035 6.786,1036 4.246,1037 6.09,1038 1.045,1039 7.496,1040 2.608,1041 4.369,1042 4.732,1043 3.267,1044 8.415,1045 4.094,1046 7.446,1047 1,1048 9.316,1049 2.566,1050 6.188,1051 6.979,1052 4.781,1053 11.566,1054 5.91,1055 8.844,1056 -0.059,1057 11.231,1058 2.136,1059 7.013,1060 7.605,1061 5.574,1062 14.064,1063 6.586,1064 10.279,1065 -0.413,1066 13.214,1067 -0.177,1068 8.455,1069 9.412,1070 6.769,1071 16.942,1072 7.99,1073 11.743,1074 -0.57,1075 15.244,1076 -0.948,1077 9.608,1078 10.38,1079 7.777,1080 19.675,1081 9.016,1082 13.231,1083 -0.659,1084 17.307,1085 -1.379,1086 10.958,1087 11.987,1088 8.897,1089 22.5,1090 10.298,1091 3.853,1092 -1,1093 19.393,1094 -1.65,1095 12.232,1096 13.136,1097 9.971,1098 25.291,1099 11.464,1100 2.824,1101 16.607,1102 21.496,1103 -2.347,1104 13.568,1105 14.641,1106 11.076,1107 28.104,1108 12.717,1109 2.637,1110 9.195,1111 23.61,1112 4.099,1113 14.887,1114 15.891,1115 12.17,1116 30.909,1117 13.937,1118 2.351,1119 7.885,1120 25.732,1121 3.659,1122 16.226,1123 17.341,1124 13.273,1125 33.719,1126 15.187,1127 1.952,1128 7.213,1129 27.86,1130 3.565,1131 17.562,1132 18.65,1133 14.374,1134 36.528,1135 16.429,1136 1.705,1137 5.352,1138 29.991,1139 2.76,1140 18.904,1141 20.073,1142 15.478,1143 39.338,1144 17.682,1145 1.372,1146 4.356,1147 32.125,1148 2.538,1149 20.247,1150 21.417,1151 16.582,1152 42.147,1153 18.933,1154 5397,1155 10406,1156 16.583,1157 24.858,1158 40.823,1159 40.367,1160 41.934,1161 40.037,1162 39.823,1163 50.68,1164 13.3,1165 123.691,1166 37.403,1167 5.841,1168 6.639,1169 8.306,1170 5.828,1171 5.853,1172 7.099,1173 4.544,1174 25.44,1175 5.528,1176 12.999,1177 1.57,1178 1.553,1179 1.613,1180 1.54,1181 1.532,1182 1.949,1183 0.512,1184 4.757,1185 1.439,1186 4.004,1187 4.045,1188 3.975,1189 3.883,1190 8.513,1191 3.892,1192 3.873,1193 3.913,1194 3.813,1195 3.774,1196 7.999,1197 3.78,1198 3.733,1199 3.77,1200 3.693,1201 3.543,1202 7.999,1203 3.581,1204 3.247,1205 3.308,1206 3.257,1207 3.033,1208 7.428,1209 3.025,1210 3.177,1211 3.257,1212 3.008,1213 2.919,1214 4.909,1215 2.954,1216 2.917,1217 2.992,1218 2.847,1219 2.735,1220 4.81,1221 2.715,1222 2.866,1223 2.925,1224 2.764,1225 2.637,1226 4.505,1227 2.695,1228 2.854,1229 2.903,1230 2.687,1231 2.62,1232 3.968,1233 2.654,1234 0.189,1235 0.178,1236 0.327,1237 0.183,1238 0.148,1239 4.918,1240 0.158,1241 4.639,1242 0.116,1243 8.504,1244 0.639,1245 4.765,1246 0.136,1247 3.853,1248 4.099,1249 3.02,1250 16.607,1251 3.528,1252 1.902,1253 1.873,1254 2.017,1255 2.01,1256 1.085,1257 2.004,1258 1.853,1259 1.813,1260 1.971,1261 1.979,1262 1.021,1263 1.986,1264 1.51,1265 1.481,1266 1.594,1267 1.771,1268 0.743,1269 1.709,1270 1.234,1271 1.179,1272 1.485,1273 1.512,1274 0.572,1275 1.471,1276 1.193,1277 1.116,1278 1.353,1279 1.412,1280 0.372,1281 1.447,1282 0.886,1283 0.821,1284 1.181,1285 1.169,1286 0.218,1287 1.107,1288 0.792,1289 0.726,1290 1.025,1291 1.062,1292 0.065,1293 1.076,1294 0.743,1295 0.697,1296 0.939,1297 1.047,1299 1.026,1300 3.97,1302 5.342,1303 2.398,1304 6.915,1305 4.844,1306 8.581,1307 7.066,1308 10.299,1310 1.638,1312 41.05,1317 4.352,1322 -8.058,1326 25.111,1327 67.889,1328 133.24,1329 149.24,1330 169.24,1331 175.24,1332 175.24,1333 57.133,1334 6.819,1335 66.38,1336 66.38,1337 17,1338 12.682,1339 3.907,1340 3.17,1341 38.912,1342 69,1343 79,1344 0.269,1345 153.417,1346 276.36,1347 366.096,1348 6794,1349 8.1,1350 17.372,1351 0.724,1352 0.523,1353 14.872,1354 12.555,1355 11.316,1356 0.435,1357 0.272,1358 6.917,1359 10.727,1360 6.807,1361 5.613,1362 10.066,1363 7.07,1364 11.247,1365 0.288,1366 0.135,1367 9.495,1368 5.278,1369 8.734,1370 0.171,1371 0.069,1372 7.691,1373 3.495,1374 7.293,1375 0.111,1376 0.035,1377 6.276,1378 2.323,1379 5.575,1380 0.07,1381 0.018,1382 4.865,1383 1.458,1384 0.403,1385 72.303,1386 0.246,1387 22.83,1388 0.803,1389 130,1390 588.025,1391 158.279,1392 487.883,1393 635.2,1394 450,1395 155,1396 447.777,1397 180.287,1398 432.582,1399 659.68,1400 406,1401 4.145}
{0 CHEMBL1486874,1 1.549,2 9.13,3 4.139,4 17.133,5 93.556,6 7.996,7 0.615,8 3.832,9 3.96,10 3.481,11 3.392,12 4.872,13 3.367,14 4.392,15 4.58,16 3.871,17 3.809,18 5.368,19 3.761,20 4.65,21 4.875,22 3.914,23 3.935,24 5.566,25 3.848,26 4.706,27 4.977,28 3.803,29 3.887,30 5.591,31 3.79,32 4.537,33 4.766,34 3.71,35 3.83,36 5.446,37 3.733,38 4.549,39 4.808,40 3.657,41 3.745,42 5.469,43 3.641,44 4.33,45 4.572,46 3.523,47 3.54,48 5.289,49 3.427,50 4.151,51 4.427,52 3.126,53 3.316,54 5,55 3.171,56 0.027,57 0.656,58 7.751,59 3.46,60 6.441,61 4.705,62 0.168,63 1.074,64 16.178,65 5.923,66 16.205,67 8.252,68 0.174,69 1.275,70 24.763,71 8.173,72 22.864,73 11.563,74 0.424,75 1.304,76 28.215,77 8.218,78 32.707,79 11.898,80 0.167,81 1.149,82 20.062,83 7.258,84 21.35,85 10.468,86 0.28,87 1.113,88 22.431,89 6.637,90 30.933,91 9.733,92 0.2,93 0.877,94 18.241,95 5.427,96 24.024,97 7.817,98 0.235,99 0.687,100 17.014,101 4.562,102 21.322,103 6.536,104 5,105 37,106 0.272,107 0.63,108 0.8,109 0.851,110 0.851,111 0.851,112 3.19,113 0.957,114 -5.88,115 -5.74,116 -5.34,120 41.5,121 1,122 2,123 1,126 2,143 4,144 1,145 2,146 1,148 1,149 1,162 1,167 1,174 5,176 3,177 9,185 6,188 1,189 6,197 5,200 5,201 6,209 4,214 5,222 4,227 11,240 11,247 1,260 4,264 2,271 8,274 656,275 15.792,276 15.792,277 15.792,278 15.792,279 15.792,280 13.954,281 17.604,282 9.255,283 16.24,284 12.846,285 12.846,286 12.846,287 12.846,288 12.846,289 10.099,290 18.962,291 4.391,292 13.657,293 3.809,294 1.769,295 0.799,296 0.506,297 0.506,298 0.506,299 3.89,303 1,306 1,307 1,308 463,309 2,312 42.992,313 179.116,316 81.692,320 1.539,321 13.98,323 1,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.84,332 48.833,333 210,334 4.673,335 3.354,336 6.879,337 4.203,338 3.253,339 4.623,340 0.8,341 11.506,342 3.09,343 4.13,344 3.059,345 6.322,346 3.784,347 2.843,348 3.71,350 9.562,351 2.676,352 3.809,353 2.872,354 5.621,355 3.466,356 2.509,357 3.221,359 7.384,360 2.411,361 3.489,362 2.465,363 5.116,364 3.201,365 2.27,366 2.674,368 6.193,369 2.083,370 3.22,371 2.11,372 4.959,373 2.897,374 1.968,375 2.354,377 5.699,378 1.766,379 3.047,380 1.579,381 4.573,382 2.468,383 1.547,384 2.32,386 4.306,387 1.423,388 2.694,389 1.545,390 4.033,391 2.406,392 1.459,393 1.728,395 3.598,396 1.366,397 2.543,398 1.227,399 3.98,400 2.138,401 1.159,402 1.562,404 2.9,405 1.127,406 2.5,407 1.099,408 3.477,409 2,410 1.055,411 1.5,413 2.533,414 1,415 2.216,416 1,417 3.414,418 1.996,419 1,420 1.196,422 2.275,423 0.986,424 1.999,425 0.735,426 3.295,427 1.553,428 0.63,429 0.849,431 1.593,432 0.576,433 1.142,434 0.312,435 2.611,436 0.676,437 -0.184,438 -0.23,440 -0.417,441 -0.129,442 0.901,443 -0.262,444 2.443,445 0.58,446 -0.377,447 -0.394,449 -0.85,450 -0.355,451 0.59,452 -0.343,453 2.209,454 0.445,455 -0.484,456 -0.569,458 -1.233,459 -0.448,460 0.578,461 -0.674,462 2,463 0.031,464 -0.863,465 -1.063,467 -2.244,468 -0.723,469 11.214,470 0.488,471 0.538,472 0.023,473 30.25,474 1.315,475 14.5,476 0.63,477 15.75,478 0.685,479 18.805,480 0.818,481 24.186,482 0.59,483 18.983,484 0.825,485 5.493,486 0.239,487 5.727,488 0.249,489 0.108,491 0.339,496 0.679,497 1.422,498 0.603,499 1.034,500 0.596,501 0.937,502 0.863,503 1.109,504 0.688,505 0.877,506 0.617,507 0.872,508 0.944,509 1.281,510 0.886,511 1.074,512 0.668,513 1.013,514 1.014,515 0.696,516 0.814,517 0.703,518 0.869,519 0.763,520 0.713,521 1.186,522 0.691,523 1.054,524 0.875,525 1.05,526 1.135,527 0.981,528 0.813,529 0.855,530 1.136,531 0.928,532 1.176,533 1.18,534 0.962,535 1.042,536 1.076,537 1.085,538 1.561,539 0.638,540 1.15,541 0.737,542 1.441,543 0.908,544 4,545 0.058,546 2.889,547 1.535,548 1.023,549 0.702,550 0.505,551 0.283,552 0.111,553 0.118,554 5605,555 14198,556 2.168,557 43.9,558 5,559 8,561 2,564 3,567 1.659,568 2.06,569 3.184,570 -0.729,572 1,575 63.504,576 1.549,577 3.589,578 4.559,579 4.851,580 4.851,581 4.851,582 2.703,583 4.089,584 4.493,585 3.298,586 834.489,587 7.747,588 9134.11,590 1,592 1,593 219.66,594 1.302,595 4.469,596 0.154,597 0.007,598 0.078,599 0.041,600 0.03,601 0.023,602 0.019,603 0.013,604 0.008,605 0.01,606 0.383,607 0.5,608 0.88,609 0.503,610 106.007,611 0.09,612 -0.23,613 0.048,614 -0.098,615 0.079,616 -0.031,617 0.07,618 0.017,619 0.058,620 0.039,621 0.154,622 0.037,623 -0.006,624 -0.27,626 -0.121,627 0.163,628 -0.057,629 0.035,630 0.301,631 0.05,632 0.21,633 0.063,634 0.18,635 0.027,636 -0.168,637 -0.005,638 -0.119,639 -0.07,640 -0.09,641 -0.131,642 0.036,643 -0.009,644 0.046,645 -0.132,646 0.002,647 -0.096,648 -0.165,649 -0.038,650 -0.119,651 -0.039,652 -0.154,653 -0.387,654 0.34,655 -0.134,656 0.194,657 -0.324,658 0.036,659 0.956,660 1.859,661 0.913,662 17.679,663 1,664 1.13,665 4.649,666 21.612,667 0.688,668 3.296,669 3.638,670 3.951,671 4.263,672 4.511,673 4.605,674 4.771,675 4.913,676 4.977,677 5.017,678 5.359,679 0.649,680 327.85,681 3.296,682 4.844,683 5.714,684 6.608,685 7.497,686 8.399,687 9.297,688 10.203,689 11.107,690 12.015,691 12.2,697 1,699 1,701 3,708 2,709 6,710 3,714 3,715 1,716 16,732 1,737 1,738 41,739 16,740 1,741 26,743 44,744 17,745 11,746 2,747 4,752 4,753 5,754 1,759 1,763 2,764 1,766 2,768 11,769 6,770 1,786 1,789 18,790 4,792 6,793 1,797 5,803 0.75,814 1,817 1,822 1,823 3,826 1,855 3,859 1,860 1,862 23,869 4,874 1,875 1,885 1,893 11.167,894 7.726,895 4.972,896 2.656,898 3.243,899 1.438,900 1.011,901 3.856,902 10.647,903 3.555,904 4.186,905 4.837,906 5.491,907 6.052,908 6.436,909 6.921,910 7.376,911 7.653,912 7.979,913 1,914 37,915 8.473,917 3.614,918 7.534,919 16.594,921 14.006,924 2.034,925 46.778,928 1,929 211.88,930 86.55,931 55.135,932 39.149,936 86.55,937 251.028,938 55.135,939 8.825,940 9.28,941 37.905,942 75.492,943 31.397,944 2.328,945 188.338,946 39.149,947 211.88,948 141.685,950 39.149,952 176.567,953 35.313,956 39.264,957 52.188,958 89.383,960 211.88,961 55.135,962 125.699,965 211.88,966 22.154,967 69.297,969 89.383,970 211.88,971 55.135,972 125.699,973 0.584,974 0.345,975 0.194,976 0.109,977 20,978 8,979 0.045,980 2,981 1,982 1.095,983 3.53,984 194.463,985 0.095,986 21,987 97.287,993 14.766,994 6.007,995 2.762,996 1.826,997 53.358,998 11.097,999 13.485,1003 2.644,1004 1.838,1006 392.714,1007 34,1020 41.018,1021 46.342,1022 0.289,1023 0.67,1024 0.851,1025 0.906,1026 0.906,1027 0.906,1028 4.796,1029 1.159,1030 5.7,1031 3.598,1032 4.317,1033 4.871,1034 0.673,1035 6.538,1036 4.201,1037 6.001,1038 1.055,1039 7.27,1040 2.9,1041 3.892,1042 4.677,1043 0.325,1044 7.496,1045 3.683,1046 7.313,1047 1,1048 8.943,1049 2.533,1050 5.927,1051 7.123,1052 0.379,1053 10.637,1054 5.705,1055 8.664,1056 0.63,1057 10.679,1058 2.275,1059 6.347,1060 7.836,1061 0.268,1062 12.472,1063 6.045,1064 10.053,1065 -0.184,1066 12.457,1067 1.593,1068 7.843,1069 9.731,1070 0.239,1071 15.134,1072 7.518,1073 11.47,1074 -0.377,1075 14.265,1076 -0.417,1077 8.658,1078 10.877,1079 0.188,1080 17.318,1081 8.264,1082 12.909,1083 -0.484,1084 16.096,1085 -0.85,1086 9.938,1087 12.548,1088 0.156,1089 19.825,1090 9.512,1091 3.253,1092 -0.863,1093 17.943,1094 -1.233,1095 10.94,1096 13.899,1097 0.125,1098 22.151,1099 10.451,1100 2.843,1101 11.506,1102 19.804,1103 -2.244,1104 12.138,1105 15.478,1106 0.102,1107 24.606,1108 11.609,1109 2.509,1110 9.562,1111 21.675,1112 4.623,1113 13.226,1114 16.925,1115 0.082,1116 26.991,1117 12.64,1118 2.27,1119 7.384,1120 23.554,1121 3.71,1122 14.396,1123 18.469,1124 0.066,1125 29.43,1126 13.764,1127 1.968,1128 6.193,1129 25.44,1130 3.221,1131 15.525,1132 19.96,1133 0.054,1134 31.843,1135 14.839,1136 1.547,1137 5.699,1138 27.332,1139 2.674,1140 16.688,1141 21.492,1142 0.043,1143 34.278,1144 15.954,1145 1.459,1146 4.306,1147 29.228,1148 2.354,1149 17.837,1150 23.003,1151 0.035,1152 36.703,1153 17.051,1154 5301,1155 8624,1156 17.8,1157 28.216,1158 39.869,1159 39.799,1160 40.723,1161 39.581,1162 39.388,1163 51.477,1164 1.6,1165 115.098,1166 37.004,1167 5.673,1168 5.354,1169 6.432,1170 5.282,1171 5.253,1172 7.623,1173 1.2,1174 19.055,1175 5.09,1176 8.699,1177 1.533,1178 1.531,1179 1.566,1180 1.522,1181 1.515,1182 1.98,1183 0.062,1184 4.427,1185 1.423,1186 4.125,1187 4.176,1188 4.12,1189 3.971,1190 5.161,1191 3.995,1192 3.867,1193 3.918,1194 3.931,1195 3.775,1196 4.92,1197 3.772,1198 3.781,1199 3.822,1200 3.698,1201 3.665,1202 4.59,1203 3.66,1204 3.301,1205 3.387,1206 3.364,1207 3.108,1208 4.322,1209 3.096,1210 3.235,1211 3.321,1212 3.105,1213 3.005,1214 4.229,1215 3.028,1216 3.04,1217 3.132,1218 3.041,1219 2.822,1220 3.932,1221 2.834,1222 2.858,1223 2.925,1224 2.888,1225 2.741,1226 3.724,1227 2.727,1228 2.854,1229 2.903,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.18,1235 0.129,1236 0.265,1237 0.162,1238 0.125,1239 4.673,1240 0.178,1241 3.354,1242 0.031,1243 6.879,1244 0.443,1245 4.203,1246 0.119,1247 3.253,1248 4.623,1249 0.8,1250 11.506,1251 3.09,1252 1.925,1253 1.891,1254 2.075,1255 2.082,1256 1.429,1257 2.075,1258 1.869,1259 1.823,1260 1.981,1261 1.999,1262 1.093,1263 2.002,1264 1.714,1265 1.67,1266 1.804,1267 1.858,1268 0.933,1269 1.854,1270 1.303,1271 1.218,1272 1.643,1273 1.542,1274 0.891,1275 1.569,1276 1.25,1277 1.179,1278 1.358,1279 1.509,1280 0.574,1281 1.487,1282 0.994,1283 0.902,1284 1.324,1285 1.267,1286 0.407,1287 1.293,1288 0.908,1289 0.845,1290 1.222,1291 1.116,1292 0.313,1293 1.122,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.113,1300 3.97,1302 5.303,1303 2.398,1304 6.841,1305 4.727,1306 8.47,1307 6.862,1308 10.147,1310 2.293,1311 5.97,1315 4.577,1320 0.695,1321 2.353,1326 26.622,1327 63.504,1328 147.13,1329 186.905,1330 198.905,1331 198.905,1332 198.905,1333 26.877,1334 7.404,1335 46.84,1336 46.84,1337 23,1338 12.533,1339 4.087,1340 3.17,1341 31.784,1342 74,1343 79,1344 0.218,1345 166.079,1346 272.25,1347 396.993,1348 15682,1349 2.4,1350 15.811,1351 0.687,1352 0.597,1353 16.311,1354 13.74,1355 11.22,1356 0.432,1357 0.319,1358 7.85,1359 10.531,1360 7.631,1361 6.327,1362 11.509,1363 8.296,1364 10.215,1365 0.276,1366 0.178,1367 10.624,1368 6.597,1369 8.807,1370 0.173,1371 0.091,1372 9.095,1373 4.624,1374 7.648,1375 0.109,1376 0.048,1377 7.815,1378 3.363,1379 6.346,1380 0.071,1381 0.026,1382 6.56,1383 2.331,1384 0.333,1385 72.972,1386 0.237,1387 22.235,1388 0.626,1389 126,1390 330.429,1391 152.01,1392 355.446,1393 492.19,1394 334,1395 151,1396 359.128,1397 173.553,1398 372.481,1399 549.8,1400 351,1401 6.796}
{0 CHEMBL1486891,1 1.624,2 12.484,3 4.228,4 17.879,5 120.779,6 8.481,7 0.647,8 4.041,9 4.129,10 3.754,11 3.66,12 5.241,13 3.633,14 4.516,15 4.636,16 4.1,17 4.022,18 5.708,19 3.979,20 4.691,21 4.827,22 4.164,23 4.09,24 5.896,25 4.055,26 4.779,27 4.934,28 4.126,29 4.073,30 6.053,31 4.037,32 4.824,33 5.006,34 4.085,35 4.064,36 6.055,37 4.011,38 4.767,39 4.942,40 4.077,41 4.038,42 5.997,43 3.978,44 4.739,45 4.925,46 3.951,47 4.016,48 5.887,49 3.925,50 4.668,51 4.86,52 3.755,53 3.915,54 5.738,55 3.805,56 0.064,57 0.67,58 8.562,59 4.679,60 7.522,61 5.144,62 0.313,63 1.06,64 17.629,65 7.989,66 27.13,67 8.643,68 0.311,69 1.279,70 22.206,71 9.188,72 30.654,73 10.187,74 0.491,75 1.361,76 23.264,77 9.693,78 48.676,79 11.005,80 0.568,81 1.405,82 26.651,83 10.509,84 69.601,85 11.9,86 0.552,87 1.349,88 26.713,89 10.084,90 67.438,91 10.947,92 0.468,93 1.289,94 26.553,95 10.575,96 56.738,97 12.107,98 0.479,99 1.201,100 26.128,101 9.994,102 53.769,103 11.564,104 21,105 47,106 0.268,107 0.565,108 0.704,109 0.84,110 0.866,111 0.898,112 3.472,113 0.916,114 -3.9,115 -3.85,116 -3.66,120 47.1,125 2,143 11,144 3,145 4,152 1,153 1,159 2,174 11,177 4,180 2,182 4,185 15,189 6,192 1,194 6,197 11,200 1,201 9,204 2,206 3,209 6,213 1,214 7,218 1,219 2,222 6,226 1,227 8,232 2,235 10,240 4,243 2,245 2,247 8,251 1,252 2,257 3,260 6,263 1,264 3,267 1,269 3,271 4,274 1601,275 21.256,276 21.256,277 21.256,278 21.256,279 21.256,280 18.46,281 21.898,282 12.496,283 21.863,284 16.663,285 16.663,286 16.663,287 16.663,288 16.663,289 12.271,290 30.448,291 5.76,292 17.423,293 4.049,294 2.247,295 1.403,296 0.579,297 0.422,298 0.226,299 4.167,306 1,307 1,308 839,309 3.742,312 97.698,313 290.705,317 157.806,320 1.952,321 31.626,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 67,333 387,334 4.529,335 3.621,336 6.541,337 4.101,338 3.112,339 4.426,340 1.058,341 10.334,342 3.076,343 4.31,344 3.58,345 6.232,346 3.917,347 2.958,348 3.936,349 1.058,350 9.367,351 2.833,352 4.124,353 3.081,354 6.034,355 3.703,356 2.742,357 3.682,358 0.86,359 8.622,360 2.652,361 4.036,362 2.984,363 5.968,364 3.615,365 2.629,366 3.571,367 0.86,368 8.405,369 2.563,370 3.586,371 2.592,372 5.353,373 3.21,374 2.261,375 2.911,377 6.87,378 2.138,379 3.328,380 2.34,381 4.965,382 2.895,383 1.924,384 2.632,386 5.595,387 1.856,388 3.199,389 2.205,390 4.513,391 2.712,392 1.771,393 2.412,395 4.582,396 1.648,397 3.021,398 1.937,399 4.402,400 2.529,401 1.526,402 2.213,404 4.153,405 1.525,406 2.891,407 1.736,408 4.103,409 2.437,410 1.473,411 2.052,413 3.618,414 1.407,415 2.873,416 1.464,417 3.65,418 2.402,419 1.41,420 2.003,422 3.013,423 1.394,424 2.299,425 1.297,426 3.601,427 1.837,428 0.869,429 1.186,431 2.173,432 0.832,433 2.278,434 1.04,435 3.255,436 1.746,437 0.787,438 1.125,440 1.884,441 0.739,442 2.118,443 0.943,444 3,445 1.464,446 0.618,447 0.927,449 1.372,450 0.507,451 1.777,452 0.779,453 2.934,454 1.424,455 0.517,456 0.619,458 0.931,459 0.46,460 1.649,461 0.726,462 2.851,463 1.32,464 0.422,465 0.504,467 0.695,468 0.375,469 14.967,470 0.483,471 0.674,472 0.022,473 44.5,474 1.435,475 25,476 0.806,477 19.5,478 0.629,479 22.666,480 0.731,481 31.833,482 0.624,483 35.544,484 1.147,485 9.075,486 0.293,487 6.009,488 0.194,489 0.111,491 0.334,496 0.772,497 1.045,498 0.703,499 0.885,500 0.589,501 0.825,502 0.982,503 0.947,504 0.88,505 0.857,506 0.658,507 0.819,508 0.991,509 1.225,510 0.953,511 1.135,512 0.973,513 1.031,514 1.084,515 1.152,516 0.894,517 1.019,518 1.117,519 1.051,520 1.27,521 0.908,522 0.859,523 0.83,524 1.394,525 0.916,526 1.287,527 0.938,528 1.01,529 0.927,530 1.422,531 0.947,532 1.076,533 0.965,534 1.041,535 0.994,536 1.067,537 1.026,538 1.035,539 1.068,540 1.176,541 1.114,542 1.133,543 1.143,544 6,545 0.178,546 3.556,547 1.84,548 2.29,549 1.156,550 0.629,551 0.497,552 0.308,553 0.223,554 13611,555 40354,556 2.084,557 39.2,559 17,560 1,562 2,567 1.736,568 1.958,569 3.609,570 0.193,572 1,575 82.816,576 1.624,577 3.426,578 4.269,579 5.094,580 5.251,581 5.447,582 3.087,583 4.696,584 4.926,585 3.783,586 1759.29,587 8.599,588 25410.1,590 1,593 289.294,594 1.383,595 4.888,596 0.176,597 0.007,598 0.076,599 0.038,600 0.049,601 0.026,602 0.015,603 0.013,604 0.01,605 0.008,606 0.418,607 0.33,608 1,609 0.796,610 162.164,611 -0.057,612 -0.009,613 0.05,614 0.027,615 -0.071,616 0.035,617 -0.022,618 0.069,619 0.024,620 0.113,621 0.011,622 0.083,623 -0.029,624 -0.204,625 -0.067,626 -0.199,627 -0.045,628 -0.126,629 0.047,630 -0.149,631 -0.079,632 -0.155,633 0.026,634 -0.153,635 -0.068,636 0.07,637 0.012,638 0.057,639 -0.053,640 0.024,641 -0.098,642 0.074,643 -0.041,644 0.02,645 -0.104,646 -0.009,647 -0.042,648 -0.004,649 -0.065,650 -0.018,651 -0.049,652 -0.04,653 -0.043,654 -0.122,655 -0.177,656 -0.121,657 -0.153,658 -0.138,659 1.972,660 5.955,661 0.677,662 32.514,663 1.011,664 1.108,665 2.666,666 7.106,667 0.712,668 3.555,669 3.871,670 4.159,671 4.407,672 4.605,673 4.663,674 4.754,675 4.836,676 4.927,677 4.905,678 7.389,679 0.683,680 432.53,681 3.555,682 5.094,683 5.948,684 6.823,685 7.693,686 8.571,687 9.446,688 10.326,689 11.202,690 12.083,691 3.9,698 2,708 2,709 12,713 1,714 6,716 22,723 2,735 2,738 51,739 24,740 3,741 34,743 54,744 24,745 20,746 7,747 9,748 2,752 4,753 5,768 22,769 2,772 2,778 2,782 2,786 1,789 20,790 6,791 2,792 7,793 1,797 2,803 0.75,804 4,822 1,823 3,827 1,855 3,857 1,859 2,862 31,871 2,872 2,880 1,886 7.8,889 2,891 2,893 15.833,894 9.833,895 6.972,896 2.743,898 3.995,899 1.518,900 1.002,901 6.421,902 11.712,903 3.871,904 4.491,905 5.105,906 5.689,907 6.201,908 6.49,909 6.835,910 7.185,911 7.539,912 7.598,913 1,914 49,915 11.448,917 4.865,918 7.839,919 21.474,921 17.248,924 2.339,925 72.5,928 1,929 211.88,930 200.031,931 36.022,933 72.29,935 31.278,936 168.753,937 284.169,938 36.022,939 21.766,940 36.022,941 111.888,942 59.699,943 46.332,944 13.13,945 231.386,947 211.88,948 204.775,949 72.29,950 31.278,952 211.88,953 72.29,956 36.022,957 168.753,959 31.278,960 211.88,961 108.311,962 200.031,965 211.88,966 66.377,967 133.654,968 36.022,969 72.29,970 211.88,971 108.311,972 200.031,973 0.575,974 0.351,975 0.193,976 0.101,977 22,978 10,979 0.111,980 6,981 1,982 1.095,983 4.23,984 277.637,985 0.095,986 21,987 153.58,989 1,993 21.19,994 9.394,995 4.667,996 1.932,997 108.311,998 21.875,1002 1.355,1003 3.002,1005 36.022,1006 520.222,1007 47,1013 25.284,1017 -0.522,1020 51.542,1021 56.491,1022 0.286,1023 0.604,1024 0.753,1025 0.898,1026 0.926,1027 0.96,1028 5.091,1029 1.526,1030 5.927,1031 4.582,1032 4.554,1033 5.179,1034 2.133,1035 6.735,1036 4.481,1037 6.307,1038 1.473,1039 7.485,1040 4.153,1041 4.111,1042 4.987,1044 7.618,1045 4.035,1046 7.618,1047 1.41,1048 9.142,1049 3.618,1050 6.146,1051 7.418,1052 2.105,1053 10.706,1054 6.021,1055 8.968,1056 0.869,1057 10.856,1058 3.013,1059 6.538,1060 8.063,1062 12.391,1063 6.397,1064 10.348,1065 0.787,1066 12.606,1067 2.173,1068 8.012,1069 9.936,1070 2.109,1071 14.978,1072 7.843,1073 11.748,1074 0.618,1075 14.379,1076 1.884,1077 8.781,1078 10.978,1080 16.993,1081 8.592,1082 13.165,1083 0.517,1084 16.169,1085 1.372,1086 10.032,1087 12.618,1088 2.139,1089 19.399,1090 9.824,1091 3.112,1092 0.422,1093 17.971,1094 0.931,1095 10.978,1096 13.861,1098 21.564,1099 10.749,1100 2.958,1101 10.334,1102 19.782,1103 0.695,1104 12.137,1105 15.398,1106 2.19,1107 23.901,1108 11.893,1109 2.742,1110 9.367,1111 21.6,1112 4.426,1113 13.166,1114 16.745,1116 26.137,1117 12.903,1118 2.629,1119 8.622,1120 23.423,1121 3.936,1122 14.289,1123 18.238,1124 2.257,1125 28.451,1126 14.011,1127 2.261,1128 8.405,1129 25.251,1130 3.682,1131 15.358,1132 19.641,1134 30.723,1135 15.064,1136 1.924,1137 6.87,1138 27.082,1139 3.571,1140 16.468,1141 21.116,1142 2.335,1143 33.031,1144 16.161,1145 1.771,1146 5.595,1147 28.917,1148 2.911,1149 17.557,1150 22.55,1152 35.323,1153 17.236,1154 12884,1155 22353,1156 22.77,1157 36.33,1158 50.566,1159 52.764,1160 51.863,1161 50.026,1162 50.22,1163 68.621,1164 7.673,1165 143.588,1166 48.182,1167 5.385,1168 5.621,1169 6.225,1170 5.181,1171 5.112,1172 7.426,1173 2.117,1174 17.195,1175 5.076,1176 14.574,1177 1.487,1178 1.552,1179 1.525,1180 1.471,1181 1.477,1182 2.018,1183 0.226,1184 4.223,1185 1.417,1186 4.099,1187 4.115,1188 4.228,1189 4.051,1190 7.431,1191 4.05,1192 3.952,1193 3.973,1194 4.056,1195 3.921,1196 7.427,1197 3.875,1198 3.836,1199 3.843,1200 3.875,1201 3.816,1202 4.936,1203 3.785,1204 3.584,1205 3.605,1206 3.533,1207 3.462,1208 4.858,1209 3.472,1210 3.337,1211 3.384,1212 3.275,1213 3.092,1214 4.634,1215 3.124,1216 3.251,1217 3.311,1218 3.153,1219 2.993,1220 4.597,1221 3.01,1222 3.208,1223 3.263,1224 3.048,1225 2.961,1226 4.403,1227 2.973,1228 3.082,1229 3.133,1230 2.935,1231 2.882,1232 4.095,1233 2.882,1234 0.133,1235 0.106,1236 0.192,1237 0.121,1238 0.092,1239 4.529,1240 0.13,1241 3.621,1242 0.031,1243 6.541,1244 0.304,1245 4.101,1246 0.09,1247 3.112,1248 4.426,1249 1.058,1250 10.334,1251 3.076,1252 2.072,1253 2.057,1254 2.146,1255 2.133,1256 1.288,1257 2.137,1258 1.89,1259 1.867,1260 1.976,1261 2.01,1262 1.084,1263 2,1264 1.554,1265 1.537,1266 1.682,1267 1.719,1268 0.735,1269 1.702,1270 1.521,1271 1.502,1272 1.668,1273 1.659,1274 0.721,1275 1.657,1276 1.388,1277 1.381,1278 1.573,1279 1.544,1280 0.594,1281 1.547,1282 1.221,1283 1.167,1284 1.532,1285 1.5,1286 0.575,1287 1.526,1288 1.181,1289 1.111,1290 1.384,1291 1.448,1292 0.558,1293 1.477,1294 1.085,1295 1.02,1296 1.288,1297 1.289,1298 0.364,1299 1.301,1300 4.234,1302 5.549,1303 2.398,1304 7.062,1305 4.443,1306 8.667,1307 6.293,1308 10.321,1310 3.045,1317 5.699,1318 10.83,1326 34.83,1327 82.816,1328 174.711,1329 217.73,1330 259.784,1331 267.784,1332 277.784,1333 57.113,1334 7.717,1335 76.66,1336 104.9,1337 23,1338 12.619,1339 4.644,1340 3.807,1341 49.538,1342 139,1343 124,1344 0.173,1345 216.989,1346 374.71,1347 521.213,1348 25336,1350 21.794,1351 0.703,1352 0.574,1353 22.148,1354 17.786,1355 15.084,1356 0.444,1357 0.305,1358 9.431,1359 14.034,1360 9.081,1361 7.577,1362 15.538,1363 10.378,1364 13.186,1365 0.281,1366 0.163,1367 13.77,1368 7.648,1369 11.465,1370 0.182,1371 0.089,1372 12.18,1373 5.634,1374 9.522,1375 0.118,1376 0.047,1377 10.133,1378 3.847,1379 7.445,1380 0.075,1381 0.024,1382 7.725,1383 2.339,1384 0.275,1385 99.247,1386 0.21,1387 29.334,1388 0.465,1389 162,1390 516.468,1391 198.576,1392 514.393,1393 697.98,1394 482,1395 191,1396 489.271,1397 224.391,1398 513.483,1399 747.29,1400 480,1401 4.852}
{0 CHEMBL1487320,1 1.539,2 9.826,3 3.869,4 14.97,5 88.278,6 7.684,7 0.68,8 3.791,9 3.905,10 3.389,11 3.34,12 4.961,13 3.329,14 4.264,15 4.42,16 3.715,17 3.669,18 5.402,19 3.648,20 4.429,21 4.613,22 3.732,23 3.722,24 5.612,25 3.689,26 4.471,27 4.678,28 3.656,29 3.678,30 5.632,31 3.632,32 4.406,33 4.617,34 3.618,35 3.664,36 5.542,37 3.62,38 4.412,39 4.619,40 3.599,41 3.688,42 5.572,43 3.622,44 4.324,45 4.515,46 3.442,47 3.623,48 5.457,49 3.533,50 4.338,51 4.579,52 3.198,53 3.488,54 5.365,55 3.36,56 0.044,57 0.579,58 7.544,59 3.484,60 5.8,61 4.364,62 0.173,63 0.888,64 13.763,65 5.483,66 15.185,67 7.071,68 0.243,69 1.038,70 17.063,71 5.97,72 29.087,73 7.855,74 0.272,75 1.033,76 18.916,77 6.343,78 34.484,79 8.446,80 0.238,81 0.986,82 17.685,83 5.907,84 34.334,85 7.877,86 0.351,87 0.97,88 17.752,89 6.353,90 40.494,91 8.547,92 0.177,93 0.875,94 15.498,95 6.288,96 27.219,97 8.273,98 0.266,99 0.819,100 17.739,101 6.579,102 39.204,103 8.86,104 11,105 34,106 0.271,107 0.576,108 0.701,109 0.812,110 0.824,111 0.824,112 3.188,113 0.87,114 -4.37,115 -4.3,116 -4.06,120 45,121 1,125 1,143 10,144 1,145 2,147 1,154 1,159 1,167 1,174 8,176 1,177 7,180 1,182 3,185 9,188 1,189 8,192 1,194 2,197 4,201 10,204 1,206 3,209 3,214 7,219 2,222 5,226 2,227 5,232 2,235 9,239 1,240 3,247 10,252 2,255 1,260 10,264 1,271 6,274 773,275 15.662,276 15.662,277 15.662,278 15.662,279 15.662,280 13.512,281 20.168,282 9.327,283 15.99,284 12.282,285 12.282,286 12.282,287 12.282,288 12.282,289 9.019,290 31.853,291 4.386,292 12.704,293 3.783,294 2.049,295 1.337,296 0.707,297 0.638,298 0.638,299 3.868,305 1,306 1,307 1,308 481,309 2.828,312 67.089,313 150.411,320 1.486,321 18.652,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49.5,333 226,334 4.49,335 3.697,336 6.645,337 4.103,338 3.137,339 4.15,340 0.98,341 10.617,342 3.033,343 4.072,344 2.936,345 5.832,346 3.662,347 2.685,348 3.676,349 0.86,350 8.092,351 2.616,352 3.87,353 2.813,354 5.355,355 3.443,356 2.473,357 3.426,358 0.4,359 6.974,360 2.401,361 3.666,362 2.556,363 5.259,364 3.27,365 2.308,366 3.024,368 6.628,369 2.207,370 3.199,371 2.06,372 4.812,373 2.809,374 1.853,375 2.423,377 5.22,378 1.766,379 2.96,380 1.964,381 4.503,382 2.532,383 1.554,384 2.121,386 4.264,387 1.514,388 2.748,389 1.517,390 3.607,391 2.283,392 1.298,393 1.82,395 2.969,396 1.273,397 2.5,398 1.198,399 3.541,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.064,408 3.414,409 2,410 1,411 1.5,413 2.136,414 1,415 2.255,416 1,417 3.247,418 1.724,419 0.726,420 1.028,422 1.787,423 0.712,424 1.638,425 1,426 2.819,427 1.315,428 0.404,429 0.489,431 0.645,432 0.364,433 1.21,434 0.104,435 2.695,436 0.881,437 -0.074,438 -0.092,440 -0.197,441 -0.071,442 0.812,443 -0.069,444 2.226,445 0.402,446 -0.567,447 -0.722,449 -1.087,450 -0.537,451 0.569,452 -0.326,453 2,454 0.251,455 -0.733,456 -0.877,458 -1.712,459 -0.719,460 0.5,461 -0.559,462 2,463 0.115,464 -0.863,465 -1.154,467 -2.154,468 -0.839,469 10.867,470 0.472,471 0.503,472 0.022,473 33,474 1.435,475 18.5,476 0.804,477 14.5,478 0.63,479 14.599,480 0.635,481 23.933,482 0.598,483 23.494,484 1.021,485 6.901,486 0.3,487 4.268,488 0.186,489 0.123,491 0.313,496 0.735,497 1.178,498 0.746,499 1.041,500 0.621,501 0.918,502 0.936,503 1.199,504 0.804,505 0.984,506 0.68,507 0.899,508 1.135,509 1.158,510 1.031,511 1.04,512 0.932,513 1.009,514 1.265,515 1.139,516 1.031,517 0.997,518 1.367,519 0.972,520 1.282,521 0.999,522 0.999,523 0.845,524 1.569,525 0.855,526 0.922,527 0.921,528 0.987,529 0.89,530 1.235,531 0.93,532 0.904,533 1.103,534 1.14,535 1.223,536 1.199,537 1.222,538 1.044,539 0.848,540 1.087,541 1.004,542 1.472,543 1.054,544 4.5,545 0.049,546 2.222,547 1.632,548 1.178,549 0.792,550 0.547,551 0.28,552 0.142,553 0.107,554 5500,555 14840,556 2.067,557 42.5,559 13,562 1,563 3,567 1.66,568 1.944,569 3.273,570 -0.326,572 1,574 1,575 61.577,576 1.539,577 3.273,578 3.985,579 4.615,580 4.684,581 4.684,582 2.736,583 3.969,584 4.491,585 3.381,586 855.299,587 7.748,588 9677.22,590 1,591 1,592 1,593 212.877,594 1.371,595 4.458,596 0.18,597 0.006,598 0.065,599 0.049,600 0.039,601 0.026,602 0.019,603 0.012,604 0.008,605 0.008,606 0.413,607 0.33,608 1,609 0.777,610 107.306,611 0.033,612 -0.051,613 0.056,614 -0.053,615 -0.071,616 -0.008,617 0.059,618 -0.132,619 0.091,620 -0.017,621 0.019,622 0.021,623 -0.047,624 -0.069,625 -0.094,626 -0.119,627 0.041,628 -0.112,629 -0.09,630 -0.111,631 -0.043,632 -0.067,633 -0.005,634 -0.049,635 -0.197,636 0.05,637 -0.024,638 0.087,639 -0.158,640 0.07,641 0.093,642 0.095,643 -0.024,644 0.07,645 0.03,646 0.02,647 -0.02,648 -0.121,649 -0.218,650 -0.231,651 -0.057,652 -0.251,653 -0.03,654 0.045,655 -0.071,656 -0.003,657 -0.146,658 -0.038,659 1.862,660 5.69,661 0.739,662 19.331,663 1.004,664 1.121,665 3.14,666 9.858,667 0.681,668 3.258,669 3.555,670 3.807,671 4.043,672 4.22,673 4.234,674 4.304,675 4.317,676 4.369,677 4.369,678 5.665,679 0.655,680 307.38,681 3.258,682 4.779,683 5.617,684 6.482,685 7.339,686 8.211,687 9.078,688 9.954,689 10.826,690 11.705,691 7.5,699 2,701 1,709 10,710 1,714 5,715 1,716 17,729 1,735 1,738 40,739 18,740 2,741 25,743 42,744 18,745 15,746 3,747 9,748 1,752 3,753 3,759 1,768 16,769 2,772 1,778 1,782 1,786 1,789 17,790 4,791 1,792 5,797 3,803 1,804 2,814 1,822 1,823 2,855 3,859 2,862 23,871 1,872 1,886 5,889 1,891 1,893 11.833,894 7.817,895 5.167,896 2.211,898 3.058,899 1.449,900 0.984,901 4.443,902 9.866,903 3.57,904 4.163,905 4.735,906 5.281,907 5.716,908 5.857,909 6.178,910 6.468,911 6.821,912 7.105,913 0.857,914 33,915 8.455,917 3.505,918 7.761,919 15.962,921 12.545,924 2.261,925 52,928 1,929 188.338,930 135.446,931 36.45,933 36.145,936 135.446,937 224.482,938 36.45,939 19.708,941 94.762,942 46.513,943 47.058,945 188.338,947 188.338,948 171.896,949 36.145,952 188.338,953 36.145,956 33.697,957 121.536,958 16.663,960 188.338,961 72.595,962 135.446,965 188.338,966 20.975,967 116.247,968 18.011,969 52.808,970 188.338,971 72.595,972 135.446,973 0.573,974 0.336,975 0.179,976 0.098,977 16,978 7,979 0.095,980 4,982 1,983 3.537,984 179.934,986 17,987 96.042,993 15.317,994 6.672,995 3.433,997 70.819,998 18.485,999 4.299,1003 3.557,1004 1.379,1005 18.011,1006 396.379,1007 34.5,1013 12.69,1017 -0.195,1020 40.145,1021 44.82,1022 0.289,1023 0.615,1024 0.749,1025 0.867,1026 0.88,1027 0.88,1028 4.773,1029 1,1030 5.587,1031 2.969,1032 4.234,1033 4.848,1034 1.552,1035 6.368,1036 4.173,1037 5.977,1038 1,1039 7.127,1040 2.275,1041 3.761,1042 4.543,1044 7.204,1045 3.658,1046 7.273,1047 0.726,1048 8.766,1049 2.136,1050 5.796,1051 7.021,1052 1.383,1053 10.302,1054 5.67,1055 8.606,1056 0.404,1057 10.464,1058 1.787,1059 6.155,1060 7.541,1062 11.991,1063 5.984,1064 9.97,1065 -0.074,1066 12.201,1067 0.645,1068 7.643,1069 9.456,1070 1.277,1071 14.607,1072 7.453,1073 11.356,1074 -0.567,1075 13.967,1076 -0.197,1077 8.392,1078 10.375,1080 16.665,1081 8.159,1082 12.759,1083 -0.733,1084 15.755,1085 -1.087,1086 9.656,1087 12.034,1088 1.193,1089 19.118,1090 9.401,1091 3.137,1092 -0.863,1093 17.559,1094 -1.712,1095 10.598,1096 13.167,1098 21.342,1099 10.302,1100 2.685,1101 10.617,1102 19.377,1103 -2.154,1104 11.77,1105 14.699,1106 1.123,1107 23.737,1108 11.449,1109 2.473,1110 8.092,1111 21.207,1112 4.15,1113 12.807,1114 15.951,1116 26.035,1117 12.447,1118 2.308,1119 6.974,1120 23.046,1121 3.676,1122 13.947,1123 17.419,1124 1.062,1125 28.408,1126 13.558,1127 1.853,1128 6.628,1129 24.894,1130 3.426,1131 15.031,1132 18.74,1134 30.74,1135 14.605,1136 1.554,1137 5.22,1138 26.749,1139 3.024,1140 16.161,1141 20.177,1142 1.01,1143 33.106,1144 15.704,1145 1.298,1146 4.264,1147 28.609,1148 2.423,1149 17.27,1150 21.536,1152 35.454,1153 16.777,1154 5387,1155 8973,1156 16.701,1157 27.256,1158 37.437,1159 38.328,1160 38.229,1161 36.899,1162 36.876,1163 50.315,1164 4.48,1165 103.212,1166 35.771,1167 5.298,1168 5.697,1169 6.447,1170 5.134,1171 5.137,1172 7.15,1173 1.96,1174 17.825,1175 5.033,1176 10.309,1177 1.497,1178 1.533,1179 1.529,1180 1.476,1181 1.475,1182 2.013,1183 0.179,1184 4.128,1185 1.431,1186 4.037,1187 4.081,1188 4.003,1189 3.901,1190 7.428,1191 3.916,1192 3.885,1193 3.912,1194 3.823,1195 3.815,1196 4.935,1197 3.812,1198 3.802,1199 3.842,1200 3.741,1201 3.672,1202 4.84,1203 3.687,1204 3.32,1205 3.36,1206 3.223,1207 3.086,1208 4.733,1209 3.112,1210 3.155,1211 3.244,1212 2.971,1213 2.921,1214 4.335,1215 2.92,1216 3.033,1217 3.093,1218 2.894,1219 2.807,1220 3.975,1221 2.813,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.682,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.18,1235 0.148,1236 0.266,1237 0.164,1238 0.125,1239 4.49,1240 0.166,1241 3.697,1242 0.039,1243 6.645,1244 0.425,1245 4.103,1246 0.121,1247 3.137,1248 4.15,1249 0.98,1250 10.617,1251 3.033,1252 1.909,1253 1.886,1254 2.016,1255 2.026,1256 1.086,1257 2.019,1258 1.882,1259 1.853,1260 1.993,1261 1.977,1262 1.063,1263 1.985,1264 1.562,1265 1.516,1266 1.767,1267 1.725,1268 0.853,1269 1.732,1270 1.426,1271 1.372,1272 1.584,1273 1.703,1274 0.596,1275 1.666,1276 1.187,1277 1.113,1278 1.499,1279 1.494,1280 0.552,1281 1.512,1282 0.964,1283 0.904,1284 1.181,1285 1.224,1286 0.218,1287 1.216,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.168,1297 1.062,1298 0.205,1299 1.107,1300 3.932,1302 5.231,1303 2.398,1304 6.723,1305 4.727,1306 8.295,1307 6.804,1308 9.91,1310 3.448,1317 3.221,1318 5.115,1326 26.181,1327 61.577,1328 130.929,1329 159.393,1330 184.612,1331 187.367,1332 187.367,1333 33.298,1334 6.808,1335 56.15,1336 56.15,1337 17,1338 12.243,1339 4.248,1340 3.392,1341 36.734,1342 75,1343 89,1344 0.236,1345 163.281,1346 277,1347 390.166,1348 7559,1350 16.234,1351 0.706,1352 0.565,1353 16.234,1354 12.984,1355 11.169,1356 0.447,1357 0.29,1358 7.139,1359 10.732,1360 6.907,1361 5.809,1362 11.169,1363 7.247,1364 9.788,1365 0.288,1366 0.15,1367 9.788,1368 5.107,1369 8.234,1370 0.187,1371 0.077,1372 8.234,1373 3.407,1374 6.683,1375 0.119,1376 0.041,1377 6.683,1378 2.269,1379 5.176,1380 0.077,1381 0.022,1382 5.176,1383 1.445,1384 0.364,1385 70.061,1386 0.245,1387 22.533,1388 0.663,1389 118,1390 359.094,1391 130.004,1392 347.742,1393 479.07,1394 326,1395 137,1396 359.306,1397 149.838,1398 364.325,1399 527.01,1400 341,1401 5.143}
{0 CHEMBL1487959,1 1.923,2 11.536,3 5.613,4 31.502,5 116.029,6 11.082,7 0.4,8 3.838,9 3.89,10 3.766,11 3.535,12 5.106,13 3.495,14 4.313,15 4.393,16 4.254,17 3.924,18 5.682,19 3.855,20 4.531,21 4.631,22 4.274,23 4.027,24 5.843,25 3.937,26 4.558,27 4.678,28 4.278,29 3.968,30 5.897,31 3.858,32 4.421,33 4.53,34 4.214,35 3.85,36 5.97,37 3.785,38 4.388,39 4.516,40 4.051,41 3.879,42 5.691,43 3.777,44 4.372,45 4.487,46 4.033,47 3.892,48 5.643,49 3.781,50 4.408,51 4.561,52 3.934,53 3.828,54 5.63,55 3.692,56 0.167,57 0.473,58 2.155,59 3.179,60 19.613,61 3.139,62 0.425,63 0.826,64 9.298,65 6.058,66 46.007,67 5.395,68 0.599,69 0.953,70 16.153,71 8.303,72 66.38,73 7.777,74 0.743,75 1.013,76 29.874,77 10.011,78 84.564,79 8.676,80 0.611,81 0.911,82 19.153,83 8.639,84 100.813,85 7.582,86 0.564,87 0.883,88 20.179,89 8.078,90 54.282,91 7.982,92 0.408,93 0.866,94 15.262,95 7.619,96 51.386,97 7.066,98 0.516,99 0.888,100 19.266,101 8.094,102 58.814,103 8.063,104 39,105 42,106 0.336,107 0.69,108 0.818,109 0.91,110 0.918,111 0.918,112 3.374,113 0.996,114 -4.57,115 -4.5,116 -4.23,120 46.3,126 2,136 1,139 1,143 7,144 2,145 3,159 2,160 1,168 1,172 1,174 7,176 1,177 4,178 1,180 1,185 13,188 1,189 7,192 1,197 8,201 6,202 1,209 7,210 1,213 1,214 4,217 1,219 1,222 7,223 1,226 2,227 6,232 1,235 11,236 1,240 3,245 1,247 11,248 1,252 3,253 1,257 1,260 6,261 2,263 1,264 4,267 1,269 2,271 6,272 1,274 1314,275 18.361,276 18.361,277 18.361,278 18.361,279 18.361,280 16.169,281 17.184,282 10.761,283 19.074,284 14.777,285 14.777,286 14.777,287 14.777,288 14.777,289 11.391,290 15.916,291 5.109,292 16.071,293 3.435,294 1.406,295 0.674,296 0.146,297 0.098,298 0.098,299 4.051,303 2,307 1,308 675,309 3.391,312 78.639,313 194.213,320 1.783,321 39.9,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 61.167,333 323,334 4.427,335 4.909,336 6.659,337 4.081,338 3.162,339 3.933,340 4.507,341 10.614,342 2.923,343 4.239,344 3.689,345 6.159,346 3.826,347 2.885,348 3.872,349 2.376,350 9.107,351 2.716,352 4.157,353 3.63,354 6.048,355 3.742,356 2.792,357 3.597,358 1.195,359 8.677,360 2.607,361 3.588,362 3.296,363 5.44,364 3.211,365 2.239,366 2.788,367 1.151,368 6.688,369 2.16,370 3.464,371 3.261,372 4.961,373 3.005,374 2.124,375 2.767,376 0.557,377 5.821,378 1.796,379 3.385,380 3.026,381 4.747,382 2.849,383 1.94,384 2.541,385 0.116,386 5.052,387 1.732,388 3.045,389 2.741,390 4.533,391 2.552,392 1.639,393 2.133,395 4.499,396 1.468,397 2.939,398 2.192,399 4.332,400 2.473,401 1.539,402 2.105,404 4.007,405 1.434,406 2.831,407 1.864,408 4.149,409 2.348,410 1.414,411 1.96,413 3.679,414 1.238,415 2.723,416 1.792,417 3.633,418 2.277,419 1.355,420 1.743,422 3.034,423 1.203,424 2.008,425 1.655,426 3.23,427 1.675,428 0.766,429 0.92,431 1.752,432 0.673,433 1.91,434 1.441,435 3.122,436 1.374,437 0.396,438 0.533,440 0.983,441 0.375,442 1.402,443 1.09,444 2.675,445 1.004,446 0.108,447 0.132,449 0.255,450 0.088,451 1.162,452 0.674,453 2.516,454 0.692,455 -0.174,456 -0.213,458 -0.43,459 -0.138,460 0.815,461 0.586,462 2.359,463 0.304,464 -0.514,465 -0.621,467 -1.242,468 -0.293,469 14.329,470 0.512,471 0.826,472 0.029,473 35.5,474 1.268,475 18,476 0.643,477 17.5,478 0.625,479 24.234,480 0.865,481 28.871,482 0.704,483 27.465,484 0.981,485 7.166,486 0.256,487 6.18,488 0.221,489 0.228,491 0.342,496 0.74,497 0.992,498 0.54,499 0.684,500 0.665,501 0.706,502 0.717,503 1.018,504 0.586,505 0.726,506 0.522,507 0.793,508 1.044,509 0.971,510 0.971,511 0.942,512 1.034,513 1.026,514 1.149,515 0.995,516 1.138,517 1.138,518 0.967,519 1.098,520 0.789,521 1.09,522 0.76,523 1.13,524 0.667,525 0.921,526 0.648,527 0.938,528 0.952,529 1.011,530 0.675,531 0.98,532 0.843,533 1.13,534 1.011,535 1.11,536 0.867,537 1.143,538 0.98,539 0.968,540 1.053,541 0.965,542 0.923,543 1.125,544 6.5,545 0.213,546 3.556,547 2.326,548 1.521,549 1.008,550 0.595,551 0.391,552 0.392,553 0.259,554 9467,555 41271,556 1.993,557 31.7,559 12,562 1,567 1.711,568 1.826,569 3.477,570 -0.252,575 78.843,576 1.923,577 3.951,578 4.683,579 5.211,580 5.26,581 5.26,582 2.924,583 4.593,584 4.779,585 3.653,586 1380.83,587 8.314,588 18499.5,593 219.66,594 1.531,595 4.714,596 0.217,597 0.01,598 0.085,599 0.055,600 0.041,601 0.027,602 0.017,603 0.011,604 0.014,605 0.01,606 0.485,607 0.17,608 1,609 0.991,610 141.365,611 -0.083,612 -0.052,613 -0.003,614 0.031,615 -0.088,616 0.023,617 0.064,618 -0.012,619 0.107,620 0.095,621 0.108,622 0.016,623 -0.097,624 -0.034,625 -0.098,626 -0.044,627 -0.147,628 -0.113,629 -0.107,630 -0.017,631 -0.085,632 -0.098,633 -0.072,634 -0.092,635 0.188,636 -0.094,637 0.106,638 -0.096,639 0.324,640 0.057,641 0.139,642 0.053,643 -0.066,644 -0.042,645 0.064,646 0.012,647 -0.107,648 -0.15,649 -0.156,650 -0.168,651 -0.101,652 -0.192,653 -0.149,654 -0.002,655 -0.11,656 -0.019,657 -0.12,658 -0.084,659 2.791,660 5.438,661 0.607,662 26.209,663 1.034,664 1.097,665 3.343,666 11.173,667 0.785,668 3.434,669 3.761,670 3.989,671 4.22,672 4.382,673 4.344,674 4.419,675 4.533,676 4.595,677 4.615,678 6.79,679 0.746,680 454.37,681 3.434,682 4.977,683 5.814,684 6.688,685 7.546,686 8.422,687 9.288,688 10.165,689 11.036,690 11.914,691 2.4,698 1,709 7,714 5,716 12,735 1,737 2,738 41,739 16,740 2,741 30,743 43,744 19,745 12,746 5,747 7,748 3,752 3,753 3,754 2,768 17,769 2,772 4,778 2,779 1,780 1,782 4,789 13,790 5,791 1,792 9,793 4,797 1,800 1,803 1,804 4,822 1,823 2,840 1,845 2,852 1,853 1,855 3,857 2,860 2,862 28,868 1,869 2,872 1,873 1,875 1,885 2,886 9.8,888 1,889 2,891 1,893 15.333,894 7.436,895 6.139,896 2.203,898 3.176,899 1.437,900 0.952,901 7.011,902 10.449,903 3.714,904 4.277,905 4.754,906 5.24,907 5.719,908 5.795,909 6.054,910 6.433,911 6.779,912 7.049,913 0.875,914 42,915 10.333,917 4.446,918 8.115,919 18.914,921 15.184,924 2.615,925 73.222,929 141.253,930 185.701,931 3.124,932 78.297,933 103.973,935 77.412,936 108.289,937 323.524,938 3.124,940 9.822,941 75.81,942 100.138,943 29.616,945 173.473,946 123.489,947 141.253,948 111.413,949 103.973,950 155.709,952 141.253,953 103.973,956 9.822,957 90.564,958 89.324,959 77.412,960 141.253,961 107.097,962 263.998,965 141.253,966 64.699,967 78.934,969 227.462,970 141.253,971 107.097,972 263.998,973 0.586,974 0.333,975 0.177,976 0.098,977 19,978 10,979 0.14,980 6,982 1,983 3.899,984 234.109,986 17,987 132.606,989 1,990 1,993 21.145,994 9.284,995 5.286,997 107.097,998 12.339,1003 3.033,1005 42.683,1006 512.349,1007 40,1013 23.351,1014 5.109,1015 1.639,1017 -1.008,1020 42.396,1021 44.97,1022 0.359,1023 0.738,1024 0.874,1025 0.973,1026 0.982,1027 0.982,1028 4.956,1029 1.539,1030 5.814,1031 4.499,1032 4.443,1033 4.963,1034 3.992,1035 6.616,1036 4.284,1037 6.169,1038 1.414,1039 7.376,1040 4.007,1041 4.111,1042 4.808,1043 3.389,1044 7.503,1045 3.83,1046 7.476,1047 1.355,1048 9.035,1049 3.679,1050 6.033,1051 7.081,1052 6.625,1053 10.584,1054 5.746,1055 8.814,1056 0.766,1057 10.751,1058 3.034,1059 6.479,1060 7.665,1061 6.572,1062 12.289,1063 6.072,1064 10.179,1065 0.396,1066 12.502,1067 1.752,1068 7.912,1069 9.469,1070 9.517,1071 14.892,1072 7.495,1073 11.564,1074 0.108,1075 14.279,1076 0.983,1077 8.719,1078 10.404,1079 9.769,1080 16.947,1081 8.186,1082 12.965,1083 -0.174,1084 16.074,1085 0.255,1086 9.96,1087 12.002,1088 12.455,1089 19.377,1090 9.399,1091 3.162,1092 -0.514,1093 17.884,1094 -0.43,1095 10.935,1096 13.12,1097 12.938,1098 21.586,1099 10.269,1100 2.885,1101 10.614,1102 19.705,1103 -1.242,1104 12.099,1105 14.612,1106 15.409,1107 23.954,1108 11.387,1109 2.792,1110 9.107,1111 21.536,1112 3.933,1113 13.153,1114 15.83,1115 16.071,1116 26.234,1117 12.344,1118 2.239,1119 8.677,1120 23.374,1121 3.872,1122 14.287,1123 17.264,1124 18.371,1125 28.581,1126 13.42,1127 2.124,1128 6.688,1129 25.218,1130 3.597,1131 15.378,1132 18.539,1133 19.177,1134 30.895,1135 14.421,1136 1.94,1137 5.821,1138 27.067,1139 2.788,1140 16.504,1141 19.94,1142 21.34,1143 33.239,1144 15.479,1145 1.639,1146 5.052,1147 28.921,1148 2.767,1149 17.614,1150 21.248,1151 22.262,1152 35.571,1153 16.503,1154 9361,1155 19686,1156 19.304,1157 32.165,1158 45.566,1159 50.315,1160 46.824,1161 45.088,1162 44.719,1163 58.046,1164 19.803,1165 128.335,1166 40.825,1167 5.342,1168 6.909,1169 6.345,1170 5.205,1171 5.162,1172 6.933,1173 8.641,1174 17.616,1175 4.923,1176 17.113,1177 1.519,1178 1.677,1179 1.561,1180 1.503,1181 1.491,1182 1.935,1183 0.66,1184 4.278,1185 1.361,1186 3.983,1187 3.997,1188 4.215,1189 3.929,1190 7.475,1191 3.917,1192 3.888,1193 3.904,1194 4.092,1195 3.856,1196 7.427,1197 3.838,1198 3.759,1199 3.776,1200 3.84,1201 3.695,1202 6.351,1203 3.646,1204 3.429,1205 3.426,1206 3.594,1207 3.229,1208 5.027,1209 3.247,1210 3.237,1211 3.269,1212 3.45,1213 3.078,1214 4.847,1215 3.074,1216 3.045,1217 3.062,1218 3.385,1219 3.054,1220 4.739,1221 2.956,1222 2.88,1223 2.922,1224 3.21,1225 2.798,1226 4.628,1227 2.771,1228 2.83,1229 2.877,1230 2.92,1231 2.717,1232 4.336,1233 2.706,1234 0.148,1235 0.164,1236 0.222,1237 0.136,1238 0.105,1239 4.427,1240 0.131,1241 4.909,1242 0.15,1243 6.659,1244 0.354,1245 4.081,1246 0.097,1247 3.162,1248 3.933,1249 4.507,1250 10.614,1251 2.923,1252 1.926,1253 1.911,1254 2.015,1255 2.011,1256 1.148,1257 2.016,1258 1.872,1259 1.856,1260 1.944,1261 1.93,1262 1.091,1263 1.947,1264 1.548,1265 1.52,1266 1.675,1267 1.797,1268 0.857,1269 1.761,1270 1.4,1271 1.402,1272 1.467,1273 1.509,1274 0.628,1275 1.507,1276 1.179,1277 1.143,1278 1.408,1279 1.401,1280 0.587,1281 1.409,1282 1.036,1283 1.068,1284 1.113,1285 1.23,1286 0.173,1287 1.209,1288 0.868,1289 0.824,1290 1.096,1291 1.019,1292 0.167,1293 1.062,1294 0.846,1295 0.799,1296 0.968,1297 1.002,1298 0.044,1299 1.046,1300 4.111,1302 5.434,1303 2.398,1304 6.934,1305 4.844,1306 8.518,1307 6.986,1308 10.145,1311 12.078,1314 8.926,1315 -0.24,1318 5.874,1319 1.06,1321 1.061,1326 30.597,1327 78.843,1328 162.008,1329 192.008,1330 213.66,1331 215.66,1332 215.66,1333 67.752,1334 7.272,1335 68.53,1336 128.86,1337 17,1338 12.452,1339 4.087,1340 3.459,1341 49.668,1342 112,1343 116,1344 0.212,1345 203.278,1346 365.58,1347 487.757,1348 14641,1349 4.9,1350 20.259,1351 0.724,1352 0.62,1353 22.112,1354 17.369,1355 13.346,1356 0.445,1357 0.332,1358 8.043,1359 11.701,1360 7.704,1361 6.317,1362 14.621,1363 9.959,1364 12.399,1365 0.295,1366 0.196,1367 14.353,1368 8.243,1369 9.757,1370 0.184,1371 0.108,1372 11.522,1373 5.736,1374 7.986,1375 0.119,1376 0.062,1377 9.96,1378 4.147,1379 6.28,1380 0.079,1381 0.034,1382 7.875,1383 2.675,1384 0.335,1385 96.575,1386 0.228,1387 26.818,1388 0.578,1389 144,1390 521.129,1391 233.099,1392 599.417,1393 767.6,1394 552,1395 167,1396 463.118,1397 233.282,1398 511.41,1399 748.7,1400 478,1401 5.588}
{0 CHEMBL1488346,1 1.63,2 7.773,3 4.856,4 23.579,5 90.889,6 8.822,7 0.5,8 3.735,9 3.842,10 3.448,11 3.367,12 4.824,13 3.326,14 4.27,15 4.427,16 3.864,17 3.771,18 5.339,19 3.707,20 4.562,21 4.753,22 4.12,23 3.936,24 5.651,25 3.853,26 4.618,27 4.825,28 3.893,29 3.876,30 5.731,31 3.798,32 4.584,33 4.782,34 3.845,35 3.88,36 5.696,37 3.787,38 4.59,39 4.798,40 3.82,41 3.897,42 5.653,43 3.76,44 4.475,45 4.696,46 3.753,47 3.793,48 5.53,49 3.609,50 4.262,51 4.519,52 3.486,53 3.476,54 5.29,55 3.237,56 0.027,57 0.512,58 5.907,59 3.233,60 5.314,61 4.158,62 0.16,63 0.861,64 12.853,65 5.692,66 12.526,67 7.417,68 0.244,69 1.084,70 26.658,71 8.293,72 32.432,73 10.54,74 0.395,75 1.148,76 25.199,77 8.107,78 48.904,79 9.961,80 0.367,81 1.078,82 23.336,83 8.215,84 47.57,85 10.238,86 0.368,87 1.023,88 25.416,89 9.067,90 48.609,91 11.463,92 0.261,93 0.864,94 25.929,95 9.055,96 41.743,97 11.787,98 0.282,99 0.638,100 27.15,101 7.823,102 41.517,103 10.187,104 19,105 34,106 0.293,107 0.626,108 0.782,109 0.884,110 0.903,111 0.903,112 3.148,113 0.998,114 -5.54,115 -5.41,116 -5.05,120 44.7,121 1,122 1,126 1,129 1,143 7,144 2,145 3,159 1,174 8,176 1,177 4,180 1,182 3,185 8,189 5,194 4,197 8,201 7,204 1,206 3,209 6,214 6,219 2,222 11,227 2,232 1,235 13,240 1,247 11,252 1,260 8,271 4,274 624,275 14.853,276 14.853,277 14.853,278 14.853,279 14.853,280 13.23,281 17.442,282 8.732,283 15.217,284 11.776,285 11.776,286 11.776,287 11.776,288 11.776,289 9.35,290 23.917,291 4.028,292 12.514,293 3.618,294 1.771,295 0.905,296 0.336,297 0.23,298 0.23,299 3.826,303 2,306 1,307 1,308 362,309 2.449,313 165.35,317 90.698,320 1.087,321 21.312,323 1,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 46.667,333 171,334 4.483,335 3.812,336 6.854,337 4.215,338 3.251,339 4.013,340 1.309,341 11.37,342 3.137,343 4.225,344 3.339,345 6.244,346 3.786,347 2.843,348 3.873,349 0.883,350 9.248,351 2.702,352 3.804,353 3.044,354 5.889,355 3.453,356 2.54,357 3.089,358 0.213,359 8.013,360 2.27,361 3.519,362 2.673,363 5.547,364 3.176,365 2.219,366 2.767,368 6.963,369 2.041,370 2.978,371 2.167,372 4.795,373 2.639,374 1.673,375 2.117,377 4.939,378 1.585,379 2.876,380 2.044,381 4.052,382 2.454,383 1.463,384 2.007,386 3.525,387 1.447,388 2.82,389 1.608,390 3.863,391 2.306,392 1.414,393 1.947,395 3.107,396 1.201,397 2.442,398 1.323,399 3.716,400 2.136,401 1.157,402 1.344,404 2.618,405 1.121,406 2.265,407 1.242,408 3.469,409 1.954,410 0.954,411 1.245,413 2.138,414 0.942,415 1.518,416 0.82,417 2.838,418 1.246,419 0.265,420 0.309,422 0.511,423 0.245,424 1.365,425 0.653,426 2.787,427 0.923,428 0.098,429 0.117,431 0.218,432 0.067,433 0.994,434 0.086,435 2.395,436 0.629,437 -0.273,438 -0.327,440 -0.66,441 -0.236,442 0.719,443 -0.149,444 2.363,445 0.24,446 -0.666,447 -0.808,449 -1.439,450 -0.473,451 0.625,452 -0.429,453 2,454 0.22,455 -0.758,456 -0.875,458 -1.752,459 -0.739,460 0.317,461 -0.65,462 1.9,463 0.105,464 -0.9,465 -1.265,467 -2.083,468 -0.884,469 11.062,470 0.503,471 0.559,472 0.025,473 28,474 1.273,475 14,476 0.636,477 14,478 0.636,479 18.409,480 0.837,481 23.138,482 0.609,483 19.209,484 0.873,485 5.397,486 0.245,487 5.216,488 0.237,489 0.204,491 0.353,496 0.624,497 1.239,498 0.54,499 0.843,500 0.542,501 0.834,502 0.647,503 1.107,504 0.608,505 0.819,506 0.544,507 0.857,508 0.852,509 1.232,510 0.705,511 0.927,512 0.742,513 0.891,514 1.33,515 1.013,516 0.847,517 0.851,518 1.405,519 0.897,520 1.126,521 0.995,522 0.78,523 0.957,524 1.387,525 0.999,526 1.02,527 0.894,528 0.862,529 0.972,530 1.362,531 1.049,532 0.685,533 1.01,534 1.007,535 1.125,536 0.744,537 1.14,538 0.782,539 0.894,540 1.302,541 1.133,542 0.602,543 1.094,544 4,545 0.012,546 3.111,547 1.75,548 1.831,549 0.875,550 0.546,551 0.398,552 0.188,553 0.046,554 4252,555 13635,556 2.043,557 42.1,558 3,559 9,560 1,562 1,564 2,567 1.653,568 1.886,569 2.951,570 -0.31,575 61.934,576 1.63,577 3.477,578 4.342,579 4.912,580 5.018,581 5.018,582 2.392,583 3.971,584 4.431,585 3.056,586 705.917,587 7.656,588 7525.38,590 1,593 199.421,594 1.495,595 4.376,596 0.167,597 0.012,598 0.092,599 0.046,600 0.054,601 0.027,602 0.02,603 0.018,604 0.014,605 0.009,606 0.459,607 0.67,608 0.88,609 1.055,610 98.399,611 -0.036,612 -0.104,613 0.008,614 -0.008,615 -0.049,616 0.015,617 0.08,618 0.014,619 0.048,620 0.041,621 0.041,622 0.021,623 0.053,624 -0.192,625 0.152,626 -0.005,627 0.082,628 0.04,629 -0.17,630 0.067,631 -0.077,632 0.034,633 -0.103,634 -0.004,635 -0.085,636 0.032,637 -0.065,638 -0.055,639 -0.094,640 -0.082,641 -0.051,642 0.056,643 -0.037,644 -0.012,645 -0.151,646 -0.075,647 0.116,648 -0.141,649 0.03,650 -0.09,651 0.066,652 -0.093,653 0.144,654 -0.086,655 0.058,656 -0.015,657 0.151,658 0.02,659 1.632,660 5.769,661 0.727,662 15.058,663 1.007,664 1.116,665 4.309,666 18.565,667 0.718,668 3.219,669 3.555,670 3.871,671 4.143,672 4.431,673 4.511,674 4.625,675 4.691,676 4.718,677 4.554,678 4.776,679 0.674,680 335.25,681 3.219,682 4.762,683 5.631,684 6.524,685 7.416,686 8.317,687 9.218,688 10.122,689 11.026,690 11.932,691 5.3,696 1,698 1,709 7,714 5,716 12,724 1,729 1,737 2,738 38,739 13,740 2,741 24,743 40,744 17,745 12,746 5,747 7,748 1,752 3,753 4,754 2,759 1,766 1,768 13,769 4,772 1,778 1,782 1,789 16,790 3,791 1,792 5,793 2,797 2,803 0.667,804 1,823 3,827 1,855 2,859 1,860 2,862 22,869 2,871 1,874 1,875 1,885 2,886 2.6,889 1,893 11.667,894 7.069,895 4.917,896 2.441,898 2.305,899 1.332,900 0.984,901 4.501,902 9.241,903 3.466,904 4.043,905 4.605,906 5.116,907 5.64,908 5.78,909 6.084,910 6.392,911 6.729,912 6.9,913 1,914 38,915 8.139,917 3.487,918 7.775,919 15.507,921 12.833,924 2.275,925 50.056,929 176.567,930 100.633,931 21.135,932 78.297,933 25.145,936 100.633,937 280.009,938 21.135,939 8.825,940 7.765,941 66.334,942 47.86,943 16.129,944 11.771,945 164.795,946 78.297,947 176.567,948 121.768,949 25.145,950 78.297,952 153.024,953 48.687,956 16.59,957 87.167,958 96.308,960 176.567,961 46.28,962 178.93,965 176.567,966 25.474,967 78.283,968 18.011,969 103.442,970 176.567,971 46.28,972 178.93,973 0.58,974 0.355,975 0.196,976 0.117,977 17,978 8,979 0.075,980 3,981 1,982 1.125,983 3.271,984 179.239,985 0.125,986 16,987 98.107,993 15.504,994 6.387,995 2.932,997 46.28,998 13.027,1003 3.465,1005 18.011,1006 401.777,1007 31,1013 12.769,1017 0.035,1020 38.247,1021 42.416,1022 0.311,1023 0.663,1024 0.827,1025 0.936,1026 0.956,1027 0.956,1028 4.71,1029 1.157,1030 5.631,1031 3.107,1032 4.234,1033 4.727,1034 1.724,1035 6.488,1036 4.122,1037 5.912,1038 0.954,1039 7.223,1040 2.618,1041 3.892,1042 4.527,1043 0.711,1044 7.483,1045 3.661,1046 7.223,1047 0.265,1048 8.919,1049 2.138,1050 5.866,1051 6.875,1052 1.857,1053 10.622,1054 5.663,1055 8.569,1056 0.098,1057 10.675,1058 0.511,1059 6.347,1060 7.466,1061 1.249,1062 12.426,1063 6.049,1064 9.946,1065 -0.273,1066 12.467,1067 0.218,1068 7.807,1069 9.309,1070 2.14,1071 15.094,1072 7.521,1073 11.346,1074 -0.666,1075 14.284,1076 -0.66,1077 8.658,1078 10.268,1079 1.769,1080 17.235,1081 8.306,1082 12.763,1083 -0.758,1084 16.118,1085 -1.439,1086 9.921,1087 11.89,1088 2.51,1089 19.743,1090 9.563,1091 3.251,1092 -0.9,1093 17.965,1094 -1.752,1095 10.94,1096 13.036,1097 2.309,1098 22.035,1099 10.535,1100 2.843,1101 11.37,1102 19.822,1103 -2.083,1104 12.13,1105 14.548,1106 2.937,1107 24.485,1108 11.707,1109 2.54,1110 9.248,1111 21.687,1112 4.013,1113 13.225,1114 15.794,1115 2.863,1116 26.847,1117 12.765,1118 2.219,1119 8.013,1120 23.559,1121 3.873,1122 14.391,1123 17.247,1124 3.399,1125 29.278,1126 13.907,1127 1.673,1128 6.963,1129 25.437,1130 3.089,1131 15.523,1132 18.549,1133 3.42,1134 31.674,1135 15.005,1136 1.463,1137 4.939,1138 27.32,1139 2.767,1140 16.684,1141 19.969,1142 3.886,1143 34.1,1144 16.138,1145 1.414,1146 3.525,1147 29.207,1148 2.117,1149 17.834,1150 21.303,1151 3.976,1152 36.512,1153 17.255,1154 4239,1155 7711,1156 15.72,1157 27.273,1158 36.176,1159 37.933,1160 37.867,1161 35.981,1162 35.755,1163 45.659,1164 4.811,1165 105.296,1166 33.515,1167 5.429,1168 5.812,1169 6.613,1170 5.287,1171 5.251,1172 7.013,1173 2.416,1174 18.992,1175 5.137,1176 11.387,1177 1.507,1178 1.581,1179 1.578,1180 1.499,1181 1.49,1182 1.902,1183 0.2,1184 4.387,1185 1.396,1186 4.033,1187 4.065,1188 4.127,1189 3.943,1190 7.428,1191 3.946,1192 3.861,1193 3.877,1194 3.928,1195 3.819,1196 5.042,1197 3.81,1198 3.627,1199 3.695,1200 3.536,1201 3.472,1202 4.744,1203 3.464,1204 3.348,1205 3.411,1206 3.401,1207 3.18,1208 4.491,1209 3.178,1210 3.099,1211 3.134,1212 3.318,1213 2.931,1214 4.331,1215 2.942,1216 2.879,1217 2.936,1218 3.14,1219 2.793,1220 4.122,1221 2.767,1222 2.857,1223 2.922,1224 2.902,1225 2.739,1226 3.953,1227 2.727,1228 2.809,1229 2.873,1230 2.632,1231 2.612,1232 3.664,1233 2.589,1234 0.187,1235 0.159,1236 0.286,1237 0.176,1238 0.135,1239 4.483,1240 0.167,1241 3.812,1242 0.055,1243 6.854,1244 0.474,1245 4.215,1246 0.131,1247 3.251,1248 4.013,1249 1.309,1250 11.37,1251 3.137,1252 1.972,1253 1.946,1254 2.059,1255 2.093,1256 1.261,1257 2.085,1258 1.852,1259 1.836,1260 1.932,1261 1.911,1262 1.109,1263 1.927,1264 1.628,1265 1.559,1266 1.895,1267 1.813,1268 1.057,1269 1.846,1270 1.304,1271 1.248,1272 1.5,1273 1.522,1274 0.664,1275 1.527,1276 1.018,1277 0.984,1278 1.273,1279 1.257,1280 0.432,1281 1.254,1282 0.868,1283 0.824,1284 1.176,1285 1.111,1286 0.232,1287 1.14,1288 0.856,1289 0.791,1290 1.101,1291 1.019,1292 0.174,1293 1.061,1294 0.819,1295 0.743,1296 0.968,1297 0.951,1298 0.129,1299 0.98,1300 3.892,1302 5.22,1304 6.77,1306 8.424,1308 10.131,1310 2.055,1311 12.125,1315 1.554,1317 3.429,1320 -0.239,1321 1.835,1326 25.627,1327 61.934,1328 132.118,1329 165.015,1330 186.666,1331 190.666,1332 190.666,1333 38.301,1334 6.935,1335 32.34,1336 32.34,1337 18,1338 12.45,1339 3.807,1340 3,1341 34.125,1342 61,1343 64,1344 0.278,1345 165.419,1346 286.51,1347 395.382,1348 8136,1349 5.3,1350 15.69,1351 0.713,1352 0.621,1353 16.69,1354 13.656,1355 10.613,1356 0.442,1357 0.333,1358 7.231,1359 9.832,1360 6.987,1361 5.795,1362 11.191,1363 7.986,1364 9.447,1365 0.278,1366 0.179,1367 10.189,1368 6.079,1369 8.31,1370 0.177,1371 0.095,1372 9.224,1373 4.485,1374 6.783,1375 0.109,1376 0.049,1377 7.169,1378 3.016,1379 5.814,1380 0.07,1381 0.027,1382 6.203,1383 2.226,1384 0.413,1385 71.554,1386 0.252,1387 21.037,1388 0.837,1389 116,1390 326.12,1391 154.11,1392 379.453,1393 499.61,1394 352,1395 139,1396 321.503,1397 174.384,1398 346.475,1399 514.59,1400 327,1401 4.225}
{0 CHEMBL1488586,1 1.474,2 11.174,3 4.276,4 18.286,5 88.97,6 7.009,7 0.5,8 3.863,9 3.983,10 3.36,11 3.407,12 4.976,13 3.369,14 4.391,15 4.57,16 3.701,17 3.766,18 5.482,19 3.711,20 4.659,21 4.852,22 3.764,23 3.905,24 5.829,25 3.816,26 4.772,27 5.033,28 3.553,29 3.832,30 5.793,31 3.699,32 4.609,33 4.87,34 3.322,35 3.667,36 5.626,37 3.513,38 4.419,39 4.706,40 3.22,41 3.475,42 5.329,43 3.33,44 4.195,45 4.418,46 3.305,47 3.305,48 5.378,49 3.258,50 4.199,51 4.401,52 3.225,53 3.273,54 5.63,55 3.238,56 0.01,57 0.653,58 9.616,59 4.535,60 6.94,61 5.815,62 0.147,63 1.025,64 17.683,65 7.309,66 24.375,67 9.602,68 0.361,69 1.286,70 24.045,71 9.34,72 48.769,73 12.256,74 0.316,75 1.306,76 28.342,77 10.002,78 63.911,79 13.68,80 0.385,81 1.118,82 24.162,83 8.473,84 64.636,85 11.666,86 0.237,87 0.934,88 19.928,89 6.997,90 39.686,91 10.044,92 0.134,93 0.749,94 15.519,95 5.164,96 27.555,97 6.974,98 0.497,99 0.718,100 16.451,101 4.48,102 89.402,103 5.741,104 27,105 33,106 0.257,107 0.567,108 0.698,109 0.775,110 0.783,111 0.783,112 3.186,113 0.955,114 -5.37,115 -5.25,116 -4.91,120 42.2,121 3,124 1,126 2,143 8,144 2,145 2,159 1,174 13,177 2,180 1,182 1,185 16,189 4,192 1,194 2,197 12,201 3,206 2,209 7,213 1,214 2,219 2,222 3,227 3,232 3,240 6,245 4,247 1,252 3,260 4,264 2,271 7,274 751,275 14.869,276 14.869,277 14.869,278 14.869,279 14.869,280 13.288,281 16.01,282 8.8,283 15.095,284 11.813,285 11.813,286 11.813,287 11.813,288 11.813,289 9.443,290 15.699,291 4.141,292 12.18,293 4.018,294 2.241,295 1.495,296 1.051,297 1.006,298 1.006,299 3.845,306 1,307 1,308 528,309 3.873,313 177.751,320 1.834,321 25.689,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 50,333 257,334 4.448,335 3.576,336 7.111,337 4.315,338 3.315,339 3.887,340 1.058,341 11.658,342 3.315,343 4.16,344 3.514,345 6.022,346 3.775,347 2.796,348 3.773,349 0.86,350 8.551,351 2.779,352 4.085,353 3.231,354 6.016,355 3.725,356 2.763,357 3.41,359 8.536,360 2.593,361 3.237,362 2.3,363 4.687,364 2.886,365 1.901,366 2.394,368 5.056,369 1.872,370 2.955,371 2.166,372 4.248,373 2.608,374 1.675,375 2.114,377 4.058,378 1.552,379 2.853,380 1.702,381 4.152,382 2.388,383 1.414,384 1.991,386 3.671,387 1.372,388 2.709,389 1.503,390 3.614,391 2.36,392 1.399,393 1.745,395 2.997,396 1.329,397 2.5,398 1.492,399 3.444,400 2.062,401 1.066,402 1.5,404 2.479,405 1.051,406 2.396,407 1.001,408 3.414,409 2,410 1,411 1.333,413 2.275,414 1,415 1.611,416 1,417 2.884,418 1.31,419 0.388,420 0.451,422 0.847,423 0.353,424 1.067,425 0.444,426 2.652,427 0.727,428 -0.177,429 -0.207,431 -0.379,432 -0.155,433 0.919,434 -0.038,435 2.19,436 0.505,437 -0.509,438 -0.654,440 -1.206,441 -0.505,442 0.67,443 -0.325,444 2,445 0.26,446 -0.701,447 -0.896,449 -1.592,450 -0.665,451 0.5,452 -0.595,453 2,455 -1,456 -1,458 -2.295,459 -0.979,460 0.337,461 -1,462 2,464 -1,465 -1,467 -3,468 -1,469 10.852,470 0.472,471 0.71,472 0.031,473 27.5,474 1.196,475 14,476 0.609,477 13.5,478 0.587,479 18.853,480 0.82,481 25.748,482 0.572,483 19.572,484 0.851,485 5.462,486 0.237,487 5.414,488 0.235,489 0.195,490 0.046,491 0.23,494 1,496 0.641,497 1.086,498 0.83,499 1.135,500 0.574,501 1.04,502 0.758,503 0.961,504 0.809,505 0.979,506 0.568,507 0.919,508 0.892,509 1.129,510 1.076,511 1.207,512 0.831,513 1.187,514 1.021,515 0.96,516 0.998,517 0.989,518 1.051,519 0.99,520 0.963,521 0.985,522 1.098,523 1.032,524 1.134,525 1.08,526 0.642,527 0.847,528 0.793,529 0.92,530 0.693,531 0.89,532 1.185,533 1.088,534 0.889,535 1.041,536 1.047,537 0.924,538 1.971,539 0.636,540 1.349,541 0.616,542 2.147,543 0.797,544 5.5,545 0.074,546 3.333,547 1.5,548 0.844,549 0.597,550 0.366,551 0.274,552 0.21,553 0.116,554 6056,555 15825,556 1.936,557 48.9,558 9,559 12,562 1,567 1.648,568 1.781,569 3.416,570 -0.369,572 1,575 66.315,576 1.474,577 3.251,578 3.997,579 4.441,580 4.486,581 4.486,582 2.914,583 4.023,584 4.498,585 3.647,586 922.628,587 7.696,588 11298.1,590 1,592 1,593 247.133,594 1.644,595 4.423,596 0.229,597 0.005,598 0.101,599 0.047,600 0.034,601 0.031,602 0.02,603 0.014,604 0.012,605 0.007,606 0.5,607 0.5,608 1,609 0.872,610 111.126,611 -0.017,612 -0.037,613 0.026,614 -0.024,615 -0.055,616 0.005,617 0.036,618 0.013,619 0.108,620 0.059,621 0.063,622 0.089,623 0.099,624 -0.124,625 -0.123,626 -0.194,627 0.045,628 -0.203,629 -0.068,630 -0.075,631 -0.015,632 -0.04,633 -0.066,634 -0.022,635 -0.001,636 -0.06,637 -0.115,638 -0.082,639 -0.092,640 -0.114,641 0.115,642 0.047,643 0.173,644 0.024,645 0.048,646 0.093,647 -0.043,648 -0.165,649 0.117,650 -0.105,651 0.054,652 0.014,653 -0.205,654 0.315,655 -0.246,656 0.249,657 -0.057,658 0.048,659 2.073,660 5.362,661 0.522,662 21.694,663 1,664 1.129,665 4.141,666 17.148,667 0.65,668 3.219,669 3.526,670 3.664,671 3.738,672 3.85,673 3.829,674 3.85,675 3.526,676 3.526,677 3.526,678 6.831,679 0.614,680 315.42,681 3.219,682 4.745,683 5.549,684 6.399,685 7.219,686 8.068,687 8.894,688 9.743,689 10.572,690 11.421,691 2.2,698 1,709 8,714 4,716 12,723 1,735 1,737 1,738 45,739 13,740 2,741 24,743 46,744 19,745 12,746 4,747 8,748 1,752 2,753 2,759 3,760 1,768 13,769 6,772 1,778 1,782 1,786 1,787 1,789 22,790 4,791 1,792 4,797 1,803 1,804 2,823 2,855 2,859 3,861 1,862 23,869 2,871 1,872 1,876 1,885 1,886 4.4,889 1,891 1,893 12.917,894 8.893,895 5.056,896 2.633,898 2.053,899 1.321,900 0.922,901 5.647,902 8.448,903 3.466,904 4.007,905 4.477,906 4.888,907 5.333,908 5.328,909 5.475,910 4.877,911 4.975,912 5.159,913 1,914 32,915 8.53,917 3.519,918 7.917,919 16.077,921 12.667,924 2.417,925 55.583,928 1,929 247.193,930 134.424,931 18.011,933 36.145,934 14.96,936 134.424,937 283.338,938 32.971,939 26.476,940 24.709,941 75.81,942 29.85,943 31.735,944 14.96,945 247.193,947 247.193,948 152.435,949 51.105,952 262.153,953 36.145,956 51.184,957 101.25,960 262.153,961 54.156,962 134.424,965 247.193,966 32.138,967 102.286,968 18.011,969 51.105,970 247.193,971 69.116,972 134.424,973 0.586,974 0.322,975 0.146,976 0.071,977 14,978 7,979 0.13,980 6,982 1,983 3.558,984 163.202,986 12,987 95.287,993 17.33,994 7.495,995 4.986,997 69.116,998 13.753,1003 1.564,1005 18.011,1006 450.733,1007 31,1013 12.043,1017 -0.164,1020 44.989,1021 50.824,1022 0.268,1023 0.592,1024 0.728,1025 0.809,1026 0.817,1027 0.817,1028 4.691,1029 1.066,1030 5.572,1031 2.997,1032 4.205,1033 4.691,1034 1.552,1035 6.375,1036 4.154,1037 5.904,1038 1,1039 7.149,1040 2.479,1041 4.007,1042 4.511,1044 7.582,1045 3.96,1046 7.214,1047 0.388,1048 8.848,1049 2.275,1050 5.861,1051 6.816,1052 1.527,1053 10.515,1054 5.783,1055 8.562,1056 -0.177,1057 10.621,1058 0.847,1059 6.463,1060 7.386,1062 12.521,1063 6.398,1064 9.942,1065 -0.509,1066 12.441,1067 -0.379,1068 7.865,1069 9.226,1070 1.53,1071 15.08,1072 7.782,1073 11.343,1074 -0.701,1075 14.292,1076 -1.206,1077 8.796,1078 10.138,1080 17.36,1081 8.725,1082 12.761,1083 -1,1084 16.166,1085 -1.592,1086 10.041,1087 11.762,1088 1.557,1089 19.825,1090 9.963,1091 3.315,1092 -1,1093 18.056,1094 -2.295,1095 11.109,1096 12.85,1098 22.207,1099 11.04,1100 2.796,1101 11.658,1102 19.958,1103 -3,1104 12.3,1105 14.358,1106 1.603,1107 24.653,1108 12.232,1109 2.763,1110 8.551,1111 21.869,1112 3.887,1113 13.428,1114 15.545,1116 27.076,1117 13.367,1118 1.901,1119 8.536,1120 23.788,1121 3.773,1122 14.605,1123 16.987,1124 1.663,1125 29.521,1126 14.548,1127 1.675,1128 5.056,1129 25.714,1130 3.41,1131 15.761,1132 18.233,1134 31.961,1135 15.71,1136 1.414,1137 4.058,1138 27.644,1139 2.394,1140 16.938,1141 19.636,1142 1.734,1143 34.41,1144 16.891,1145 1.399,1146 3.671,1147 29.579,1148 2.114,1149 18.109,1150 20.918,1152 36.859,1153 18.068,1154 6098,1155 10046,1156 15.197,1157 29.228,1158 36.074,1159 37.341,1160 36.185,1161 35.443,1162 35.436,1163 45.199,1164 3.837,1165 100.251,1166 34.431,1167 5.366,1168 5.576,1169 6.82,1170 5.377,1171 5.315,1172 6.887,1173 2.117,1174 18.551,1175 5.315,1176 13.719,1177 1.503,1178 1.556,1179 1.508,1180 1.477,1181 1.476,1182 1.883,1183 0.16,1184 4.177,1185 1.435,1186 3.987,1187 4.015,1188 3.926,1189 3.923,1190 8.201,1191 3.919,1192 3.899,1193 3.921,1194 3.849,1195 3.81,1196 7.429,1197 3.814,1198 3.654,1199 3.71,1200 3.545,1201 3.51,1202 4.781,1203 3.506,1204 3.501,1205 3.568,1206 3.345,1207 3.312,1208 4.714,1209 3.313,1210 3.142,1211 3.17,1212 3.044,1213 2.903,1214 4.359,1215 2.931,1216 2.904,1217 3.009,1218 2.832,1219 2.735,1220 4.219,1221 2.736,1222 2.874,1223 3.009,1224 2.704,1225 2.733,1226 3.94,1227 2.715,1228 2.874,1229 2.959,1230 2.687,1231 2.691,1232 3.674,1233 2.69,1234 0.185,1235 0.149,1236 0.296,1237 0.18,1238 0.138,1239 4.448,1240 0.162,1241 3.576,1242 0.044,1243 7.111,1244 0.486,1245 4.315,1246 0.138,1247 3.315,1248 3.887,1249 1.058,1250 11.658,1251 3.315,1252 1.964,1253 1.939,1254 2.091,1255 2.05,1256 1.286,1257 2.063,1258 1.864,1259 1.843,1260 1.974,1261 1.98,1262 1.067,1263 1.977,1264 1.637,1265 1.585,1266 1.854,1267 1.825,1268 0.994,1269 1.834,1270 1.481,1271 1.412,1272 1.744,1273 1.693,1274 0.93,1275 1.717,1276 1.032,1277 1.002,1278 1.417,1279 1.32,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.806,1290 1.217,1291 1.239,1292 0.255,1293 1.287,1294 0.886,1295 0.804,1296 1.181,1297 1.069,1298 0.218,1299 1.107,1300 3.892,1302 5.198,1304 6.691,1306 8.261,1308 9.867,1310 6.381,1312 13.362,1315 0.529,1317 2.76,1318 5.297,1322 0.058,1326 27.629,1327 66.315,1328 146.273,1329 179.849,1330 199.849,1331 201.849,1332 201.849,1333 54.511,1334 6.395,1335 38.33,1336 38.33,1337 12,1338 11.984,1339 3.807,1340 3,1341 45.788,1342 95,1343 74,1344 0.232,1345 173.731,1346 306.91,1347 415.664,1348 4782,1349 2.2,1350 16.872,1351 0.734,1352 0.597,1353 16.002,1354 13.727,1355 10.876,1356 0.453,1357 0.318,1358 7.545,1359 10.497,1360 7.225,1361 6.091,1362 10.465,1363 7.638,1364 10.261,1365 0.311,1366 0.193,1367 9.744,1368 6.362,1369 7.575,1370 0.199,1371 0.092,1372 7.048,1373 3.495,1374 5.485,1375 0.134,1376 0.051,1377 5.165,1378 2.111,1379 3.945,1380 0.086,1381 0.028,1382 3.752,1383 1.271,1384 0.379,1385 68.062,1386 0.257,1387 23.286,1388 0.597,1389 114,1390 379.915,1391 125.309,1392 340.155,1393 447.48,1394 316,1395 128,1396 313.114,1397 139.054,1398 313.914,1399 451.49,1400 293,1401 6.796}
{0 CHEMBL1489109,1 1.582,2 13.286,3 2.305,4 5.315,5 105.058,6 7.569,7 0.4,8 3.997,9 4.119,10 3.566,11 3.529,12 5.159,13 3.516,14 4.512,15 4.686,16 3.911,17 3.9,18 5.667,19 3.863,20 4.779,21 4.973,22 3.981,23 4.035,24 5.97,25 3.978,26 4.832,27 5.058,28 3.871,29 3.952,30 6.035,31 3.883,32 4.725,33 4.957,34 3.767,35 3.789,36 6.103,37 3.715,38 4.542,39 4.783,40 3.525,41 3.612,42 5.662,43 3.536,44 4.401,45 4.63,46 3.533,47 3.517,48 5.609,49 3.485,50 4.368,51 4.557,52 3.569,53 3.497,54 5.829,55 3.469,56 0.046,57 0.74,58 9.648,59 4.281,60 8.924,61 5.607,62 0.296,63 1.158,64 18.205,65 7.023,66 28.523,67 9.631,68 0.438,69 1.394,70 25.472,71 9.209,72 59.865,73 12.364,74 0.443,75 1.371,76 28.644,77 9.342,78 74.736,79 12.895,80 0.683,81 1.192,82 26.478,83 8.405,84 120.798,85 11.816,86 0.41,87 1.007,88 22.111,89 6.836,90 60.616,91 9.571,92 0.284,93 0.903,94 18.646,95 5.499,96 43.627,97 7.677,98 0.457,99 0.842,100 17.7,101 5.735,102 83.185,103 7.5,104 27,105 41,106 0.266,107 0.601,108 0.755,109 0.842,110 0.849,111 0.849,112 3.373,113 0.904,114 -3.71,115 -3.68,116 -3.5,120 42,121 2,123 1,126 2,143 8,144 2,145 2,159 4,174 11,176 2,177 4,180 2,182 2,185 13,188 1,189 4,192 2,193 1,194 2,197 10,200 1,201 7,206 1,209 4,213 3,214 5,217 3,219 4,226 1,227 2,230 1,232 5,240 5,245 3,251 2,252 8,255 2,257 3,264 4,269 3,274 1258,275 18.568,276 18.568,277 18.568,278 18.568,279 18.568,280 16.611,281 24.332,282 10.976,283 18.762,284 14.772,285 14.772,286 14.772,287 14.772,288 14.772,289 11.624,290 28.005,291 5.202,292 15.043,293 4.062,294 2.067,295 1.15,296 0.63,297 0.59,298 0.59,299 4.054,305 1,306 1,307 1,308 791,309 4,313 276.552,317 145.71,320 2,321 34.225,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 61,333 372,334 4.431,335 3.781,336 6.629,337 4.094,338 3.114,339 4.016,340 1.988,341 10.516,342 3.051,343 4.122,344 3.626,345 5.931,346 3.791,347 2.798,348 3.691,349 1.928,350 8.246,351 2.78,352 3.808,353 3.505,354 5.712,355 3.543,356 2.557,357 3.038,358 1.253,359 7.671,360 2.511,361 3.722,362 2.991,363 5.456,364 3.437,365 2.461,366 2.962,367 0.78,368 7.248,369 2.397,370 3.492,371 2.707,372 5.043,373 3.151,374 2.164,375 2.707,376 0.356,377 5.961,378 2.124,379 3.358,380 2.444,381 4.774,382 2.981,383 1.956,384 2.54,385 0.231,386 5.278,387 1.989,388 3.181,389 2.374,390 4.602,391 2.68,392 1.721,393 2.335,394 0.056,395 4.685,396 1.641,397 2.838,398 1.632,399 3.774,400 2.404,401 1.414,402 1.954,404 3.049,405 1.397,406 2.5,407 1.438,408 3.663,409 2.236,410 1.241,411 1.5,413 2.924,414 1.234,415 2.474,416 1.32,417 3.488,418 2,419 1,420 1.445,422 2.275,423 1,424 2.454,425 1.314,426 3.414,427 1.886,428 0.88,429 1.347,431 2.082,432 0.878,433 1.938,434 1.081,435 3.185,436 1.564,437 0.61,438 0.699,440 1.447,441 0.577,442 1.71,443 1,444 2.872,445 1.242,446 0.24,447 0.33,449 0.568,450 0.237,451 1.248,452 0.587,453 2.491,454 0.887,455 -0.113,456 -0.141,458 -0.267,459 -0.111,460 0.989,461 0.451,462 2.341,463 0.589,464 -0.403,465 -0.503,467 -0.986,468 -0.394,469 13.1,470 0.468,471 0.736,472 0.026,473 37,474 1.321,475 19,476 0.679,477 18,478 0.643,479 21.046,480 0.752,481 30.1,482 0.602,483 28.833,484 1.03,485 7.41,486 0.265,487 6.026,488 0.215,489 0.153,491 0.336,496 0.679,497 1.367,498 0.77,499 1.097,500 0.544,501 0.965,502 0.58,503 1.086,504 0.817,505 0.994,506 0.55,507 0.949,508 0.983,509 1.058,510 1.023,511 1.069,512 1.049,513 1.059,514 1.182,515 1.087,516 1.041,517 1.052,518 1.172,519 1.024,520 0.893,521 0.99,522 0.948,523 1.002,524 0.955,525 0.992,526 1.206,527 0.973,528 1.024,529 0.935,530 1.254,531 0.946,532 1.345,533 0.995,534 0.975,535 0.893,536 1.178,537 0.85,538 1.306,539 1.047,540 1.021,541 1.045,542 1.453,543 1.004,544 6,545 0.145,546 3.333,547 1.875,548 1.729,549 0.674,550 0.547,551 0.372,552 0.217,553 0.208,554 10974,555 29412,556 2.013,557 44,558 7,559 12,561 1,562 2,567 1.703,568 1.867,569 3.669,570 0.247,571 1,572 1,575 79.092,576 1.582,577 3.577,578 4.494,579 5.014,580 5.054,581 5.054,582 3.098,583 4.522,584 4.781,585 3.866,586 1461.5,587 8.272,588 20604.6,590 1,592 1,593 282.193,594 1.47,595 4.727,596 0.2,597 0.007,598 0.081,599 0.045,600 0.048,601 0.022,602 0.022,603 0.014,604 0.008,605 0.01,606 0.457,607 0.33,608 1,609 0.787,610 144.577,611 -0.051,612 -0.167,613 0.032,614 -0.043,615 -0.047,616 0.001,617 0.166,618 0.043,619 0.064,620 0.01,621 0.052,622 0.014,623 0.005,624 -0.018,625 -0.08,626 -0.082,627 -0.077,628 -0.099,629 -0.089,630 -0.117,631 -0.039,632 -0.092,633 -0.058,634 -0.06,635 0.295,636 -0.047,637 0.082,638 -0.052,639 0.275,640 -0.03,641 -0.065,642 -0.02,643 0.006,644 0.005,645 -0.113,646 0.013,647 -0.167,648 0.016,649 0.044,650 0.028,651 -0.051,652 0.08,653 0.151,654 -0.072,655 0.002,656 -0.091,657 0.157,658 -0.08,659 2.107,660 5.382,661 0.571,662 28.061,663 1.007,664 1.127,665 2.479,666 6.148,667 0.665,668 3.434,669 3.738,670 3.951,671 4.143,672 4.344,673 4.304,674 4.369,675 4.369,676 4.29,677 4.205,678 7.771,679 0.639,680 378.47,681 3.434,682 4.963,683 5.79,684 6.648,685 7.492,686 8.351,687 9.202,688 10.063,689 10.918,690 11.78,691 8,698 3,700 1,709 8,714 4,716 12,724 1,738 50,739 16,740 2,741 30,743 52,744 21,745 12,746 4,747 8,748 2,752 3,753 4,759 2,768 16,769 5,770 1,772 4,778 3,780 1,781 1,782 3,785 1,786 1,789 22,790 7,791 2,792 7,797 4,799 1,803 0.667,804 3,823 3,827 1,838 2,855 2,859 2,862 28,869 2,871 2,874 1,875 1,886 6,889 3,893 15,894 9.483,895 6.194,896 2.951,898 2.556,899 1.356,900 0.961,901 6.223,902 9.739,903 3.714,904 4.234,905 4.718,906 5.205,907 5.703,908 5.752,909 6.011,910 6.152,911 6.241,912 6.151,913 0.889,914 42,915 10.397,917 4.414,918 7.964,919 19.383,921 15.492,924 2.464,925 69,928 1,929 235.422,930 132.289,931 55.931,933 75.435,936 132.289,937 310.857,938 55.931,939 17.65,940 43.357,941 75.81,942 109.938,943 28.67,945 223.651,947 235.422,948 188.22,949 75.435,952 235.422,953 75.435,956 77.793,957 110.427,960 235.422,961 131.366,962 132.289,965 235.422,966 30.21,967 105.203,968 36.022,969 92.22,970 235.422,971 131.366,972 132.289,973 0.581,974 0.331,975 0.169,976 0.092,977 18,978 9,979 0.115,980 6,981 1,982 1.125,983 4.048,984 224.531,985 0.125,986 16,987 128.606,993 19.778,994 8.81,995 5.063,997 131.366,998 14.506,1003 2.867,1005 36.022,1006 499.077,1007 40,1013 36.504,1015 1.334,1016 4.169,1017 -1.074,1020 50.342,1021 56.358,1022 0.28,1023 0.634,1024 0.796,1025 0.888,1026 0.895,1027 0.895,1028 4.942,1029 1.414,1030 5.771,1031 4.685,1032 4.419,1033 4.92,1034 2.918,1035 6.541,1036 4.385,1037 6.13,1038 1.241,1039 7.313,1040 3.049,1041 4.007,1042 4.635,1043 2.221,1044 7.38,1045 3.982,1046 7.416,1047 1,1048 8.952,1049 2.924,1050 5.979,1051 6.989,1052 3.817,1053 10.438,1054 5.906,1055 8.731,1056 0.88,1057 10.648,1058 2.275,1059 6.347,1060 7.471,1061 3.815,1062 12.096,1063 6.282,1064 10.076,1065 0.61,1066 12.381,1067 2.082,1068 7.808,1069 9.332,1070 4.951,1071 14.686,1072 7.7,1073 11.441,1074 0.24,1075 14.141,1076 1.447,1077 8.545,1078 10.196,1079 5.27,1080 16.707,1081 8.437,1082 12.823,1083 -0.113,1084 15.92,1085 0.568,1086 9.793,1087 11.834,1088 6.192,1089 19.137,1090 9.653,1091 3.114,1092 -0.403,1093 17.715,1094 -0.267,1095 10.716,1096 12.912,1097 6.674,1098 21.329,1099 10.567,1100 2.798,1101 10.516,1102 19.522,1103 -0.986,1104 11.875,1105 14.433,1106 7.485,1107 23.703,1108 11.7,1109 2.557,1110 8.246,1111 21.34,1112 4.016,1113 12.892,1114 15.634,1115 8.054,1116 25.976,1117 12.703,1118 2.461,1119 7.671,1120 23.168,1121 3.691,1122 14.016,1123 17.092,1124 8.805,1125 28.332,1126 13.805,1127 2.164,1128 7.248,1129 25.003,1130 3.038,1131 15.081,1132 18.365,1133 9.42,1134 30.645,1135 14.853,1136 1.956,1137 5.961,1138 26.845,1139 2.962,1140 16.196,1141 19.787,1142 10.138,1143 32.996,1144 15.945,1145 1.721,1146 5.278,1147 28.693,1148 2.707,1149 17.287,1150 21.104,1151 10.78,1152 35.327,1153 17.017,1154 10631,1155 17629,1156 19.592,1157 33.239,1158 45.39,1159 47.16,1160 46.019,1161 44.276,1162 44.31,1163 57.127,1164 13.182,1165 123.897,1166 43.629,1167 5.385,1168 5.781,1169 6.313,1170 5.167,1171 5.114,1172 7.016,1173 3.483,1174 17.733,1175 5.051,1176 15.647,1177 1.513,1178 1.572,1179 1.534,1180 1.476,1181 1.477,1182 1.904,1183 0.439,1184 4.13,1185 1.454,1186 3.999,1187 4.032,1188 3.955,1189 3.905,1190 7.436,1191 3.909,1192 3.947,1193 3.979,1194 3.885,1195 3.872,1196 7.426,1197 3.872,1198 3.698,1199 3.746,1200 3.62,1201 3.478,1202 7.423,1203 3.506,1204 3.552,1205 3.612,1206 3.453,1207 3.386,1208 4.851,1209 3.385,1210 3.44,1211 3.502,1212 3.307,1213 3.246,1214 4.75,1215 3.262,1216 3.237,1217 3.272,1218 3.163,1219 3.002,1220 4.403,1221 3.035,1222 3.041,1223 3.076,1224 2.983,1225 2.855,1226 4.175,1227 2.872,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 4.052,1233 2.715,1234 0.148,1235 0.126,1236 0.221,1237 0.136,1238 0.104,1239 4.431,1240 0.134,1241 3.781,1242 0.066,1243 6.629,1244 0.351,1245 4.094,1246 0.102,1247 3.114,1248 4.016,1249 1.988,1250 10.516,1251 3.051,1252 1.94,1253 1.911,1254 2.07,1255 2.059,1256 1.252,1257 2.05,1258 1.935,1259 1.909,1260 2.023,1261 2.035,1262 1.113,1263 2.042,1264 1.612,1265 1.56,1266 1.816,1267 1.855,1268 0.941,1269 1.839,1270 1.53,1271 1.469,1272 1.748,1273 1.728,1274 0.888,1275 1.743,1276 1.388,1277 1.333,1278 1.585,1279 1.617,1280 0.75,1281 1.617,1282 1.128,1283 1.091,1284 1.417,1285 1.396,1286 0.469,1287 1.363,1288 0.97,1289 0.928,1290 1.304,1291 1.239,1292 0.313,1293 1.308,1294 0.934,1295 0.821,1296 1.181,1297 1.188,1298 0.218,1299 1.172,1300 4.111,1302 5.416,1304 6.911,1306 8.493,1308 10.123,1310 4.193,1315 -0.381,1317 5.246,1320 0.414,1321 1.222,1326 31.971,1327 79.092,1328 178.855,1329 224.683,1330 250.683,1331 252.683,1332 252.683,1333 65.544,1334 7.183,1335 93.09,1336 93.09,1337 18,1338 12.331,1339 4.087,1340 3.459,1341 50.176,1342 133,1343 120,1344 0.181,1345 199.921,1346 356.95,1347 479.568,1348 13897,1350 20.096,1351 0.718,1352 0.565,1353 20.096,1354 15.807,1355 13.436,1356 0.448,1357 0.301,1358 8.924,1359 12.941,1360 8.654,1361 7.243,1362 13.436,1363 9.045,1364 12.189,1365 0.297,1366 0.166,1367 12.189,1368 6.796,1369 9.722,1370 0.191,1371 0.085,1372 9.722,1373 4.353,1374 7.641,1375 0.123,1376 0.045,1377 7.641,1378 2.765,1379 6.166,1380 0.081,1381 0.023,1382 6.166,1383 1.781,1384 0.296,1385 84.237,1386 0.226,1387 27.492,1388 0.465,1389 142,1390 449.163,1391 156.608,1392 433.385,1393 577.42,1394 402,1395 163,1396 411.487,1397 177.307,1398 417.225,1399 602.68,1400 391,1401 4.216}
{0 CHEMBL1489567,1 1.378,2 10.15,3 4.339,4 18.823,5 74.952,6 7.219,7 0.524,8 3.719,9 3.812,10 3.24,11 3.234,12 4.867,13 3.217,14 4.229,15 4.379,16 3.567,17 3.568,18 5.431,19 3.534,20 4.443,21 4.628,22 3.55,23 3.65,24 5.581,25 3.573,26 4.464,27 4.677,28 3.372,29 3.627,30 5.481,31 3.511,32 4.434,33 4.708,34 3.16,35 3.506,36 5.28,37 3.347,38 4.232,39 4.47,40 3.124,41 3.267,42 5.328,43 3.166,44 3.917,45 4.118,46 2.925,47 3.079,48 4.899,49 3.009,50 3.774,51 3.958,52 2.875,53 3.009,54 4.887,55 2.935,56 0.042,57 0.468,58 8.02,59 3.909,60 8.897,61 4.705,62 0.212,63 0.736,64 14.692,65 6.186,66 38.22,67 7.798,68 0.541,69 0.867,70 19.532,71 7.342,72 49.354,73 9.558,74 0.227,75 0.897,76 19.753,77 7.686,78 33.366,79 10.234,80 0.22,81 0.853,82 20.077,83 7.474,84 35.953,85 10.61,86 0.46,87 0.659,88 16.829,89 5.626,90 52.025,91 7.634,92 0.226,93 0.494,94 11.754,95 4.15,96 20.673,97 5.294,98 0.108,99 0.448,100 9.593,101 3.799,102 15.963,103 4.905,104 22,105 28,106 0.25,107 0.613,108 0.766,109 0.85,110 0.85,111 0.85,112 3.056,113 0.949,114 -3.56,115 -3.53,116 -3.37,120 42.1,121 2,122 1,123 1,126 1,143 6,144 1,145 1,153 2,159 1,168 1,172 1,174 9,177 4,178 1,180 1,185 10,186 1,188 2,189 4,192 1,194 1,197 10,198 1,201 3,206 1,209 6,214 3,215 1,222 4,226 1,227 4,230 1,235 4,240 2,247 3,248 2,252 3,257 2,260 2,261 2,264 4,269 2,271 3,272 1,274 484,275 13.301,276 13.301,277 13.301,278 13.301,279 13.301,280 11.864,281 14.673,282 7.818,283 13.425,284 10.256,285 10.256,286 10.256,287 10.256,288 10.256,289 8.037,290 13.904,291 3.608,292 10.459,293 3.87,294 1.87,295 1.027,296 0.566,297 0.566,298 0.566,299 3.712,306 1,307 1,308 415,309 3.317,312 63.076,313 71.788,320 1.665,321 21.144,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44,333 203,334 4.232,335 3.583,336 6.022,337 3.855,338 2.859,339 3.846,340 1.437,341 8.569,342 2.843,343 4.118,344 3.074,345 5.999,346 3.805,347 2.81,348 3.684,349 1.151,350 8.535,351 2.797,352 3.667,353 2.92,354 5.353,355 3.368,356 2.418,357 2.93,359 6.929,360 2.288,361 3.523,362 2.587,363 5.151,364 3.166,365 2.172,366 2.792,368 6.258,369 2.145,370 2.695,371 1.846,372 4.122,373 2.447,374 1.467,375 1.705,377 3.562,378 1.433,379 2.609,380 1.51,381 3.707,382 2.176,383 1.182,384 1.589,386 2.79,387 1.158,388 2.5,389 1.028,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.168,398 1,399 3.254,400 1.668,401 0.671,402 0.986,404 1.625,405 0.665,406 1.791,407 0.705,408 3.109,409 1.487,410 0.568,411 0.675,413 1.336,414 0.516,415 1.261,416 0.417,417 2.502,418 1.188,419 0.199,420 0.207,422 0.272,423 0.196,424 0.852,425 0.301,426 2.162,427 0.546,428 -0.417,429 -0.502,431 -0.971,432 -0.397,433 0.5,434 -0.134,435 2,436 0.027,437 -1,438 -1.15,440 -2,441 -0.935,442 0.492,443 -0.684,444 1.772,446 -1,447 -1.308,449 -2.704,450 -0.998,451 0.243,452 -1,453 1.495,454 -0.048,455 -1,456 -1.42,458 -2.94,459 -1,460 0.032,461 -1.051,462 1.321,463 -0.309,464 -1.289,465 -1.5,467 -3,468 -1.286,469 9.333,470 0.467,471 0.489,472 0.024,473 24,474 1.2,475 12,476 0.6,477 12,478 0.6,479 14.923,480 0.746,481 22.467,482 0.591,483 15.907,484 0.795,485 4.763,486 0.238,487 4.834,488 0.242,489 0.179,491 0.321,496 0.826,497 1.179,498 0.823,499 1.153,500 0.764,501 1.015,502 0.78,503 1.121,504 0.815,505 1.101,506 0.439,507 0.988,508 0.784,509 0.973,510 0.97,511 0.987,512 0.581,513 1.014,514 0.837,515 1.207,516 1.068,517 1.214,518 0.766,519 1.195,520 0.534,521 0.975,522 0.805,523 0.982,524 0.549,525 0.958,526 0.876,527 0.804,528 0.891,529 0.812,530 0.824,531 0.848,532 1.321,533 0.832,534 1.069,535 0.831,536 0.703,537 0.884,538 0.948,539 1.189,540 1.021,541 1.182,542 0.825,543 1.128,544 4.5,545 0.098,546 2.444,547 0.847,548 0.957,549 0.465,550 0.232,551 0.231,552 0.17,553 0.096,554 3946,555 11057,556 1.966,557 47.4,558 9,559 8,562 1,567 1.609,568 1.818,569 3.328,570 -0.32,572 1,575 52.363,576 1.378,577 3.378,578 4.221,579 4.682,580 4.682,581 4.682,582 2.795,583 3.684,584 4.292,585 3.481,586 661.414,587 7.29,588 7085.69,590 1,592 1,593 199.421,594 1.485,595 4.237,596 0.214,597 0.011,598 0.087,599 0.033,600 0.046,601 0.027,602 0.014,603 0.016,604 0.013,605 0.008,606 0.47,607 0.67,608 1,609 1.229,610 91.13,611 -0.051,612 -0.043,613 0.026,614 -0.032,615 -0.093,616 0.006,617 0.104,618 -0.065,619 0.099,620 -0.054,621 0.232,622 0.009,623 0.216,624 0.028,625 -0.01,626 0.009,627 0.151,628 -0.04,629 -0.053,630 -0.219,631 -0.136,632 -0.219,633 -0.044,634 -0.2,635 0.062,636 -0.035,637 0.138,638 -0.016,639 0.021,640 0.062,641 0.175,642 0.128,643 0.122,644 0.124,645 0.091,646 0.114,647 -0.204,648 0.143,649 -0.074,650 0.137,651 -0.072,652 0.072,653 -0.072,654 -0.178,655 -0.088,656 -0.172,657 0.056,658 -0.14,659 2.742,660 3.684,661 0.55,662 17.14,663 1.007,664 1.12,665 2.331,666 5.436,667 0.649,668 3.091,669 3.367,670 3.555,671 3.664,672 3.761,673 3.761,674 3.689,675 3.714,676 3.761,677 3.761,678 6.017,679 0.621,680 274.34,681 3.091,682 4.595,683 5.407,684 6.244,685 7.074,686 7.912,687 8.747,688 9.586,689 10.422,690 11.261,709 6,712 1,714 4,716 11,725 1,735 1,738 38,739 12,740 1,741 21,743 39,744 16,745 10,746 2,747 4,748 1,752 2,753 2,759 2,766 1,768 11,769 5,770 1,772 1,778 1,782 1,786 1,788 1,789 18,790 4,791 1,792 4,803 1,804 4,822 1,823 1,853 1,855 2,859 2,862 20,868 1,869 2,872 1,874 1,886 10.5,888 1,889 1,891 2,893 11,894 7.283,895 4.556,896 2.404,898 2.055,899 1.33,900 0.903,901 4.852,902 8.279,903 3.35,904 3.887,905 4.384,906 4.84,907 5.17,908 5.259,909 5.256,910 5.497,911 5.864,912 6.183,913 0.857,914 26,915 7.372,917 3.024,918 7.933,919 13.884,921 10.874,924 2.433,925 48.667,929 200.109,930 101.871,933 88.336,936 101.871,937 288.444,939 17.65,940 7.127,941 56.857,942 68.738,943 28.936,944 10.898,945 200.109,947 200.109,948 101.871,949 88.336,952 200.109,953 88.336,956 24.777,957 77.094,960 200.109,961 88.336,962 101.871,965 200.109,966 27.363,967 74.508,969 88.336,970 200.109,971 88.336,972 101.871,973 0.575,974 0.331,975 0.152,976 0.077,977 12,978 6,979 0.154,980 6,982 1,983 3.296,984 135.233,986 11,987 82.439,993 14.664,994 6.617,995 3.877,997 88.336,998 10.97,1001 5.122,1003 2.445,1005 42.683,1006 390.316,1007 27.5,1013 10.684,1017 -1.075,1020 38.262,1021 42.574,1022 0.263,1023 0.644,1024 0.804,1025 0.892,1026 0.892,1027 0.892,1028 4.551,1029 0.671,1030 5.38,1031 2.275,1032 4.043,1033 4.57,1034 2.051,1035 6.116,1036 4.007,1037 5.737,1038 0.568,1039 6.907,1040 1.625,1041 3.611,1042 4.29,1044 6.905,1045 3.571,1046 7.02,1047 0.199,1048 8.528,1049 1.336,1050 5.58,1051 6.676,1052 2.567,1053 9.878,1054 5.518,1055 8.338,1056 -0.417,1057 10.201,1058 0.272,1059 5.943,1060 7.202,1062 11.44,1063 5.882,1064 9.683,1065 -1,1066 11.906,1067 -0.971,1068 7.373,1069 9.045,1070 3.146,1071 13.902,1072 7.295,1073 11.048,1074 -1,1075 13.631,1076 -2,1077 8.082,1078 9.935,1080 15.776,1081 8.007,1082 12.425,1083 -1,1084 15.371,1085 -2.704,1086 9.294,1087 11.541,1088 3.772,1089 18.05,1090 9.207,1091 2.859,1092 -1.289,1093 17.12,1094 -2.94,1095 10.167,1096 12.621,1098 20.066,1099 10.084,1100 2.81,1101 8.569,1102 18.877,1103 -3,1104 11.283,1105 14.106,1106 4.432,1107 22.263,1108 11.191,1109 2.418,1110 8.535,1111 20.64,1112 3.846,1113 12.237,1114 15.292,1116 24.345,1117 12.147,1118 2.172,1119 6.929,1120 22.407,1121 3.684,1122 13.309,1123 16.712,1124 5.115,1125 26.51,1126 13.213,1127 1.467,1128 6.258,1129 24.177,1130 2.93,1131 14.305,1132 17.959,1134 28.625,1135 14.21,1136 1.182,1137 3.562,1138 25.95,1139 2.792,1140 15.358,1141 19.342,1142 5.812,1143 30.777,1144 15.259,1145 1,1146 2.79,1147 27.726,1148 1.705,1149 16.375,1150 20.624,1152 32.907,1153 16.275,1154 4037,1155 6975,1156 13.523,1157 24.671,1158 31.032,1159 31.299,1160 32.26,1161 30.702,1162 30.691,1163 39.829,1164 5.175,1165 84.302,1166 30.084,1167 5.068,1168 5.583,1169 5.566,1170 4.919,1171 4.859,1172 6.846,1173 2.873,1174 14.434,1175 4.843,1176 11.408,1177 1.478,1178 1.49,1179 1.536,1180 1.462,1181 1.461,1182 1.897,1183 0.246,1184 4.014,1185 1.433,1186 3.982,1187 3.999,1188 3.93,1189 3.892,1190 7.475,1191 3.891,1192 3.898,1193 3.907,1194 3.844,1195 3.759,1196 6.351,1197 3.783,1198 3.581,1199 3.639,1200 3.429,1201 3.449,1202 5.028,1203 3.434,1204 3.294,1205 3.304,1206 3.223,1207 3.04,1208 4.809,1209 3.074,1210 3.143,1211 3.234,1212 2.937,1213 2.935,1214 4.323,1215 2.913,1216 2.993,1217 3.025,1218 2.788,1219 2.735,1220 4.06,1221 2.734,1222 2.854,1223 2.925,1224 2.687,1225 2.706,1226 3.727,1227 2.715,1228 2.658,1229 2.739,1230 2.469,1231 2.504,1232 3.674,1233 2.488,1234 0.202,1235 0.171,1236 0.287,1237 0.184,1238 0.136,1239 4.232,1240 0.183,1241 3.583,1242 0.068,1243 6.022,1244 0.408,1245 3.855,1246 0.135,1247 2.859,1248 3.846,1249 1.437,1250 8.569,1251 2.843,1252 1.936,1253 1.911,1254 2.075,1255 2.03,1256 1.312,1257 2.045,1258 1.611,1259 1.564,1260 1.848,1261 1.795,1262 0.978,1263 1.81,1264 1.542,1265 1.513,1266 1.707,1267 1.718,1268 0.862,1269 1.683,1270 1.442,1271 1.442,1272 1.586,1273 1.667,1274 0.677,1275 1.655,1276 1.184,1277 1.086,1278 1.543,1279 1.435,1280 0.591,1281 1.49,1282 0.886,1283 0.845,1284 1.181,1285 1.205,1286 0.219,1287 1.182,1288 0.879,1289 0.821,1290 1.126,1291 1.062,1292 0.218,1293 1.107,1294 0.696,1295 0.652,1296 1.058,1297 1.007,1298 0.046,1299 0.986,1300 3.761,1302 5.043,1303 2.398,1304 6.503,1305 4.595,1306 8.034,1307 6.581,1308 9.601,1310 4.345,1314 8.755,1315 1.32,1318 5.567,1320 0.534,1326 23.6,1327 52.363,1328 128.348,1329 160.402,1330 177.911,1331 177.911,1332 177.911,1333 35.588,1334 6.225,1335 59.67,1336 59.67,1337 11,1338 11.828,1339 3.7,1340 2.907,1341 36.817,1342 73,1343 64,1344 0.252,1345 147.882,1346 258.16,1347 352.591,1348 3560,1350 14.535,1351 0.727,1352 0.581,1353 14.535,1354 11.628,1355 9.597,1356 0.457,1357 0.316,1358 6.555,1359 9.207,1360 6.345,1361 5.333,1362 9.597,1363 6.646,1364 8.427,1365 0.301,1366 0.169,1367 8.427,1368 4.738,1369 6.848,1370 0.201,1371 0.098,1372 6.848,1373 3.315,1374 4.832,1375 0.127,1376 0.049,1377 4.832,1378 1.853,1379 3.504,1380 0.083,1381 0.026,1382 3.504,1383 1.077,1384 0.405,1385 60.459,1386 0.272,1387 20.442,1388 0.659,1389 98,1390 329.356,1391 110.179,1392 307.251,1393 409.04,1394 286,1395 111,1396 293.394,1397 122.627,1398 292.138,1399 423.18,1400 274,1401 4.728}
{0 CHEMBL1490033,1 1.404,2 6.231,3 2.144,4 4.598,5 48.446,6 7.209,7 0.462,8 3.293,9 3.387,10 2.795,11 2.784,12 4.499,13 2.769,14 3.768,15 3.921,16 3.107,17 3.066,18 5.104,19 3.039,20 3.975,21 4.156,22 3.024,23 3.104,24 5.152,25 3.058,26 3.889,27 4.104,28 2.829,29 2.984,30 5.069,31 2.902,32 3.714,33 3.928,34 2.513,35 2.851,36 4.799,37 2.715,38 3.655,39 3.951,40 2.217,41 2.609,42 4.67,43 2.386,44 3.184,45 3.491,46 1.864,47 2.138,48 3.954,49 1.987,50 2.734,51 2.846,52 1.966,53 1.763,54 4.348,55 1.805,56 0.046,57 0.303,58 5.256,59 2.52,60 8.625,61 3.036,62 0.187,63 0.45,64 9.373,65 3.771,66 34.602,67 4.818,68 0.273,69 0.507,70 12.439,71 4.206,72 27.566,73 5.322,74 0.218,75 0.465,76 11.493,77 3.933,78 33.59,79 5.239,80 0.146,81 0.406,82 9.326,83 3.487,84 26.318,85 4.72,86 0.292,87 0.357,88 9.527,89 3.19,90 29.55,91 4.854,92 0.093,93 0.214,94 5.924,95 1.884,96 16.886,97 2.823,98 0.064,99 0.129,100 3.37,101 1.01,102 11.98,103 1.178,104 22,105 17,106 0.289,107 0.646,108 0.713,109 0.746,110 0.746,111 0.746,112 2.664,113 0.945,114 -3.32,115 -3.3,116 -3.16,120 40,121 2,128 1,143 4,144 1,145 1,159 1,168 1,172 1,174 4,175 1,177 5,180 1,182 1,185 5,186 2,189 4,194 2,197 2,198 2,201 3,206 2,209 4,215 1,222 4,226 1,230 1,235 2,248 2,252 2,257 2,274 124,275 8.207,276 8.207,277 8.207,278 8.207,279 8.207,280 7.339,281 8.748,282 4.929,283 8.37,284 6.401,285 6.401,286 6.401,287 6.401,288 6.401,289 5.101,290 9.79,291 2.332,292 6.66,293 3.24,294 1.506,295 1.18,296 1.02,297 1.02,298 1.02,299 3.268,306 1,307 1,308 155,309 2.828,313 43.562,320 1.325,321 15.933,324 1,325 0.83,326 0.83,327 1,328 1,329 1,330 1,331 0.95,332 29,333 81,334 4.168,335 3.576,336 5.931,337 3.782,338 2.793,339 3.758,340 1.437,341 8.24,342 2.76,343 3.734,344 2.995,345 5.397,346 3.401,347 2.467,348 3.055,349 0.86,350 7.079,351 2.286,352 3.063,353 2.252,354 4.429,355 2.877,356 1.915,357 2.094,359 4.577,360 1.827,361 2.715,362 1.824,363 3.75,364 2.225,365 1.228,366 1.702,368 2.885,369 1.202,370 2.5,371 1,372 3.414,373 2,374 1,375 1.5,377 2.275,378 1,379 1.212,380 0.505,381 2.503,382 0.881,383 -0.048,384 -0.056,386 -0.117,387 -0.044,388 0.514,389 0.252,390 2,391 0.14,392 -0.827,393 -0.978,395 -2,396 -0.774,397 0.5,398 -0.573,399 1.826,401 -1,402 -1,404 -2,405 -0.977,406 0.355,407 -1,408 1.278,410 -1,411 -1.385,413 -2.045,414 -1,416 -1,417 1,418 -0.022,419 -1,420 -1.5,422 -3,423 -1,424 -0.5,425 -1.187,426 1,427 -0.694,428 -1.646,429 -1.86,431 -5.046,432 -1.49,433 -0.513,434 -1.663,435 0.887,436 -0.99,437 -1.881,438 -2.33,439 -0.86,440 -5.275,441 -1.789,442 -0.749,443 -2,444 0.586,445 -1,446 -2,447 -3,448 -1.437,449 -5.573,450 -2,469 6,470 0.462,471 0.408,472 0.031,473 15.5,474 1.192,475 8,476 0.615,477 7.5,478 0.577,479 8.049,480 0.619,481 15,482 0.6,483 9.431,484 0.725,485 3.175,486 0.244,487 2.917,488 0.224,489 0.278,491 0.333,496 0.822,497 1.201,498 0.842,499 1.178,500 0.791,501 1.041,502 0.692,503 1.123,504 0.753,505 1.103,506 0.385,507 0.969,508 1.365,509 0.961,510 1.116,511 0.951,512 0.808,513 0.969,514 1.059,515 0.979,516 0.997,517 0.975,518 1.067,519 0.971,520 0.828,521 1.248,522 1.172,523 1.272,524 1.04,525 1.302,526 0.052,527 0.92,528 0.726,529 0.963,530 0.198,531 1.003,532 0.539,533 0.75,534 0.597,535 0.745,536 0.571,537 0.695,538 1.928,539 1.697,540 1.359,541 1.626,542 2.419,543 1.396,544 3.5,546 1.333,547 0.75,548 0.582,549 0.354,550 0.162,551 0.125,554 947,555 3165,556 1.831,557 48,559 5,562 1,564 6,567 1.478,568 1.66,569 2.688,570 -0.202,574 1,575 35.103,576 1.404,577 3.138,578 3.463,579 3.623,580 3.623,581 3.623,582 2.258,583 3.085,584 3.668,585 2.813,586 219.436,587 6.053,588 1634.39,590 1,593 116.096,594 1.577,595 3.584,596 0.269,598 0.078,599 0.05,600 0.049,601 0.044,602 0.032,603 0.031,606 0.554,607 1,608 1,609 1.508,610 48.155,611 -0.074,612 -0.034,613 -0.006,614 -0.026,615 -0.135,616 -0.004,617 0.17,618 -0.066,619 0.153,620 -0.052,621 0.288,622 0.03,623 -0.23,624 0.017,625 -0.14,626 0.014,627 -0.061,628 -0.032,629 -0.121,630 -0.025,631 -0.039,632 -0.019,633 -0.068,634 -0.011,635 -0.09,636 -0.27,637 -0.271,638 -0.285,639 -0.168,640 -0.317,641 0.521,642 -0.038,643 0.21,644 -0.047,645 0.299,646 -0.003,647 0.101,648 0.108,649 0.371,650 0.149,651 0.074,652 0.298,653 -0.283,654 -0.745,655 -0.309,656 -0.717,657 -0.145,658 -0.552,659 2.587,660 3.494,661 0.462,662 8.118,663 1.011,664 1.125,665 2.086,666 4.353,667 0.637,668 2.639,669 2.89,670 2.944,671 3.045,672 3.135,673 3.045,674 2.944,675 2.565,678 3.987,679 0.612,680 180.22,681 2.639,682 4.111,683 4.875,684 5.7,685 6.491,686 7.318,687 8.118,688 8.945,689 9.75,690 10.577,709 4,714 2,716 6,725 1,735 1,738 25,739 7,740 1,741 13,743 25,744 10,745 6,746 2,747 4,748 1,752 1,753 1,759 2,766 1,768 7,769 3,772 1,778 1,782 1,786 1,789 12,790 3,791 1,792 3,803 1,804 3,823 1,853 1,855 1,859 2,862 13,868 1,872 1,874 1,886 12,888 1,889 1,891 1,893 7.833,894 4.95,895 2.944,896 1.474,898 1.319,899 1.262,900 0.859,901 3.175,902 6.356,903 2.89,904 3.384,905 3.79,906 4.232,907 4.696,908 4.722,909 4.751,910 4.275,913 1,914 15,915 4.763,916 -0.003,917 1.892,918 8.179,919 8.753,920 -0.001,921 6.502,922 -0.002,924 2.679,925 34.833,926 0.004,929 129.482,930 64.894,933 78.828,936 64.894,937 208.31,939 17.65,941 37.905,942 68.738,943 19.429,945 129.482,947 129.482,948 64.894,949 78.828,952 58.856,953 149.455,956 17.65,957 47.244,960 129.482,961 78.828,962 64.894,965 129.482,966 9.339,967 55.555,969 78.828,970 129.482,971 78.828,972 64.894,973 0.573,974 0.29,975 0.138,976 0.073,977 7,978 4,979 0.12,980 3,982 1,983 2.456,984 69.543,986 6,987 42.106,993 9.903,994 4.168,995 2.974,997 78.828,998 6.368,1003 0.969,1005 42.683,1006 273.205,1007 17,1013 10.494,1017 -0.92,1020 25.284,1021 28.119,1022 0.302,1023 0.676,1024 0.746,1025 0.78,1026 0.78,1027 0.78,1028 4.069,1029 -1,1030 4.86,1031 -2,1032 3.555,1033 4.06,1034 1.888,1035 5.557,1036 3.484,1037 5.254,1038 -1,1039 6.365,1040 -2,1041 3.219,1042 3.829,1044 6.304,1045 3.107,1046 6.524,1047 -1,1048 7.965,1049 -2.045,1050 5.043,1051 6.116,1052 2.362,1053 9.228,1054 4.905,1055 7.825,1056 -1.646,1057 9.615,1058 -3,1059 5.398,1060 6.593,1062 10.714,1063 5.228,1064 9.152,1065 -1.881,1066 11.296,1067 -5.046,1068 6.788,1069 8.455,1070 2.965,1071 13.157,1072 6.603,1073 10.497,1074 -2,1075 12.998,1076 -5.275,1077 7.46,1078 9.271,1080 14.962,1081 7.253,1082 11.857,1084 14.715,1085 -5.573,1086 8.655,1087 10.923,1088 3.635,1089 17.207,1090 8.44,1091 2.793,1093 16.443,1095 9.488,1096 11.928,1098 19.163,1099 9.257,1100 2.467,1101 8.24,1102 18.179,1104 10.589,1105 13.456,1106 4.335,1107 21.322,1108 10.353,1109 1.915,1110 7.079,1111 19.921,1112 3.758,1113 11.507,1114 14.576,1116 23.351,1117 11.259,1118 1.228,1119 4.577,1120 21.668,1121 3.055,1122 12.562,1123 16.029,1124 5.05,1125 25.473,1126 12.311,1127 1,1128 2.885,1129 23.419,1130 2.094,1131 13.526,1132 17.222,1134 27.538,1135 13.265,1136 -0.048,1137 2.275,1138 25.174,1139 1.702,1140 14.56,1141 18.628,1142 5.77,1143 29.645,1144 14.295,1145 -0.827,1146 -0.117,1147 26.931,1148 1.5,1149 15.548,1150 19.867,1152 31.728,1153 15.276,1154 1082,1155 2059,1156 7.86,1157 15.932,1158 19.283,1159 19.708,1160 19.689,1161 18.878,1162 18.806,1163 24.217,1164 4.593,1165 50.112,1166 18.148,1167 4.917,1168 5.576,1169 5.345,1170 4.782,1171 4.793,1172 6.758,1173 2.873,1174 13.813,1175 4.76,1176 8.029,1177 1.483,1178 1.516,1179 1.515,1180 1.452,1181 1.447,1182 1.863,1183 0.353,1184 3.855,1185 1.396,1186 3.931,1187 3.947,1188 3.879,1189 3.849,1190 7.475,1191 3.852,1192 3.593,1193 3.651,1194 3.447,1195 3.419,1196 6.351,1197 3.411,1198 3.262,1199 3.248,1200 3.194,1201 2.999,1202 4.836,1203 3.047,1204 2.874,1205 3.009,1206 2.687,1207 2.735,1208 4.362,1209 2.715,1210 2.854,1211 2.925,1212 2.515,1213 2.618,1214 3.759,1215 2.57,1216 2.629,1217 2.653,1218 2.499,1219 2.315,1220 3.674,1221 2.369,1222 2.108,1223 2.209,1224 1.831,1225 1.698,1226 3.467,1227 1.695,1228 1.992,1229 2.044,1230 1.746,1231 1.332,1232 3.065,1233 1.42,1234 0.321,1235 0.275,1236 0.456,1237 0.291,1238 0.215,1239 4.168,1240 0.289,1241 3.576,1242 0.111,1243 5.931,1244 0.634,1245 3.782,1246 0.212,1247 2.793,1248 3.758,1249 1.437,1250 8.24,1251 2.76,1252 1.894,1253 1.877,1254 1.999,1255 2,1256 1.098,1257 1.998,1258 1.583,1259 1.522,1260 1.866,1261 1.788,1262 1.017,1263 1.815,1264 1.091,1265 1.098,1266 1.417,1267 1.411,1268 0.469,1269 1.334,1270 0.934,1271 0.821,1272 1.193,1273 1.239,1274 0.218,1275 1.308,1276 0.886,1277 0.804,1278 1.181,1279 1.062,1280 0.156,1281 1.107,1282 0.485,1283 0.464,1284 0.779,1285 0.851,1287 0.828,1288 0.06,1290 0.609,1291 0.49,1293 0.525,1296 0.381,1297 0.362,1299 0.324,1300 3.296,1302 4.554,1304 5.989,1306 7.504,1308 9.06,1310 3.843,1314 8.617,1318 5.356,1320 0.107,1326 15.305,1327 35.103,1328 78.445,1329 86.587,1330 90.587,1331 90.587,1332 90.587,1333 21.947,1334 5.037,1335 46.53,1336 46.53,1337 6,1338 11.158,1339 3,1340 2.322,1341 25.008,1342 32,1343 23,1344 0.434,1345 99.58,1346 174.11,1347 234.734,1348 633,1350 9.845,1351 0.757,1352 0.588,1353 9.845,1354 7.65,1355 6.092,1356 0.469,1357 0.315,1358 4.035,1359 5.808,1360 3.865,1361 3.272,1362 6.092,1363 4.094,1364 5.654,1365 0.333,1366 0.176,1367 5.654,1368 2.996,1369 3.639,1370 0.202,1371 0.082,1372 3.639,1373 1.473,1374 2.757,1375 0.138,1376 0.047,1377 2.757,1378 0.948,1379 1.931,1380 0.088,1381 0.025,1382 1.931,1383 0.556,1384 0.657,1385 38.525,1386 0.357,1387 13.349,1388 1.228,1389 60,1390 223.621,1391 68.636,1392 208.627,1393 269.88,1394 192,1395 65,1396 187.03,1397 71.644,1398 186.218,1399 265.44,1400 174,1401 4.159}
{0 CHEMBL1490060,1 1.579,2 8,3 3.023,4 9.14,5 75.215,6 8.743,7 0.696,8 3.565,9 3.672,10 3.278,11 3.177,12 4.777,13 3.19,14 4.029,15 4.153,16 3.668,17 3.564,18 5.299,19 3.559,20 4.204,21 4.391,22 3.606,23 3.545,24 5.374,25 3.529,26 4.15,27 4.356,28 3.443,29 3.378,30 5.368,31 3.35,32 3.928,33 4.137,34 3.206,35 3.107,36 5.138,37 3.108,38 3.752,39 3.941,40 3.161,41 3.101,42 5.017,43 3.082,44 3.692,45 3.873,46 3.083,47 3.092,48 4.885,49 3.068,50 3.581,51 3.754,52 2.853,53 3.038,54 4.729,55 2.961,56 0.05,57 0.475,58 4.121,59 2.177,60 4.791,61 2.334,62 0.172,63 0.77,64 7.017,65 3.736,66 13.983,67 4.333,68 0.163,69 0.876,70 11.267,71 4.532,72 18.031,73 5.322,74 0.264,75 0.83,76 11.543,77 4.281,78 26.08,79 5.073,80 0.226,81 0.656,82 9.793,83 3.131,84 28.666,85 3.255,86 0.215,87 0.539,88 7.685,89 2.856,90 23.093,91 3.389,92 0.131,93 0.498,94 7.012,95 2.792,96 16.574,97 3.136,98 0.076,99 0.422,100 5.803,101 2.85,102 8.961,103 3.413,104 2,105 33,106 0.291,107 0.585,108 0.695,109 0.831,110 0.892,111 0.904,112 3.059,113 0.816,114 -4.98,115 -4.88,116 -4.58,120 50,143 8,144 2,147 1,153 1,159 2,163 1,174 9,176 1,177 4,180 3,181 1,182 2,185 8,189 6,194 4,197 4,200 1,201 6,204 2,206 6,214 3,219 5,226 1,227 4,230 1,232 2,235 2,240 3,245 1,247 6,252 2,260 8,264 2,271 6,274 428,275 13.878,276 13.878,277 13.878,278 13.878,279 13.878,280 11.753,281 10.345,282 8.186,283 14.08,284 11.404,285 11.404,286 11.404,287 11.404,288 11.404,289 8.135,290 14.377,291 3.922,292 11.754,293 3.327,294 1.733,295 1.133,296 0.4,297 0.067,299 3.761,305 1,306 1,307 1,308 362,309 2.121,312 70.214,313 92.795,316 137.078,320 1.1,321 16.914,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43,333 160,334 4.551,335 3.698,336 6.723,337 4.169,338 3.187,339 4.405,340 1.208,341 10.935,342 3.135,343 4.445,344 3.054,345 6.244,346 3.925,347 2.97,348 4.161,349 0.618,350 9.479,351 2.834,352 3.601,353 2.828,354 5.526,355 3.213,356 2.257,357 2.938,359 7.052,360 2.155,361 3.362,362 2.31,363 5.082,364 2.933,365 1.932,366 2.644,368 5.812,369 1.918,370 3.284,371 1.997,372 4.706,373 2.754,374 1.793,375 2.53,377 4.901,378 1.719,379 3.032,380 1.532,381 4.414,382 2.495,383 1.532,384 2.298,386 4.312,387 1.474,388 2.841,389 1.389,390 3.634,391 2.355,392 1.368,393 1.997,395 2.967,396 1.349,397 2.707,398 1.328,399 3.586,400 2.183,401 1.198,402 1.758,404 2.785,405 1.176,406 2.451,407 1.206,408 3.553,409 1.917,410 0.919,411 1.352,413 2.276,414 0.913,415 1.847,416 0.513,417 3,418 1.295,419 0.347,420 0.521,422 0.86,423 0.328,424 1.22,425 0.347,426 2.853,427 0.782,428 -0.151,429 -0.186,431 -0.432,432 -0.14,433 0.96,434 -0.067,435 2.341,436 0.482,437 -0.572,438 -0.886,440 -1.349,441 -0.595,442 0.673,443 -0.693,444 2,445 0.207,446 -0.769,447 -1.024,449 -1.926,450 -0.746,451 0.6,452 -0.813,453 2,454 0.127,455 -0.871,456 -1.267,458 -2.119,459 -0.869,460 0.5,461 -0.876,462 2,463 -0.032,464 -1,465 -1.5,467 -2.625,468 -0.963,469 9.433,470 0.472,471 0.448,472 0.022,473 31.25,474 1.563,475 17.5,476 0.875,477 13.75,478 0.688,479 10.519,480 0.526,481 19.367,482 0.646,483 19.634,484 0.982,485 6.292,486 0.315,487 3.518,488 0.176,489 0.035,491 0.371,496 0.8,497 1.138,498 0.645,499 0.833,500 0.598,501 0.724,502 0.438,503 0.988,504 0.733,505 1.01,506 0.507,507 0.951,508 1.03,509 1.234,510 0.941,511 1.055,512 0.793,513 0.983,514 1.069,515 1.123,516 1.087,517 1.082,518 0.964,519 1.081,520 1.821,521 1.151,522 1.206,523 0.877,524 1.699,525 0.906,526 0.958,527 0.858,528 0.909,529 0.751,530 0.936,531 0.8,532 1.25,533 0.783,534 0.983,535 0.78,536 1.245,537 0.812,538 0.791,539 0.758,540 1.134,541 1.122,542 0.818,543 1.177,544 3.5,545 0.005,546 2,547 2.056,548 0.524,549 0.553,550 0.164,551 0.291,552 0.096,553 0.045,554 4099,555 11312,556 2.226,557 33.3,559 8,562 2,567 1.617,568 2.143,569 3.028,570 0.361,572 1,574 1,575 47.384,576 1.579,577 3.174,578 3.774,579 4.507,580 4.84,581 4.907,582 2.423,583 3.546,584 4.299,585 3.13,586 594.737,587 7.334,588 5970.16,589 1,590 1,591 1,592 1,593 147.207,594 1.188,595 4.278,596 0.152,597 0.002,598 0.061,599 0.069,600 0.022,601 0.029,602 0.009,603 0.016,604 0.007,605 0.006,606 0.372,607 0.5,608 1,609 0.432,610 87.665,611 -0.116,612 -0.088,613 0.027,614 0.027,615 -0.103,616 0.052,617 0.326,618 0.053,619 0.001,620 -0.136,621 0.101,622 -0.144,623 -0.118,624 -0.227,625 -0.003,626 -0.127,627 -0.023,628 -0.055,629 0.04,630 -0.104,631 -0.07,632 -0.151,633 0.046,634 -0.137,635 -0.411,636 -0.101,637 -0.148,638 0.038,639 -0.283,640 0.008,641 0.135,642 0.151,643 0.068,644 0.195,645 0.13,646 0.138,647 -0.233,648 0.191,649 -0.038,650 0.185,651 -0.151,652 0.137,653 -0.087,654 0.122,655 -0.229,656 -0.101,657 0.01,658 -0.163,659 1.89,660 4.78,661 0.9,662 12.68,663 1.013,664 1.115,665 3.751,666 14.074,667 0.725,668 3.178,669 3.526,670 3.85,671 4.174,672 4.344,673 4.369,674 4.533,675 4.673,676 4.673,677 4.727,678 4.917,679 0.713,680 262.29,681 3.178,682 4.727,683 5.602,684 6.5,685 7.39,686 8.291,687 9.186,688 10.089,689 10.986,690 11.889,691 13.3,696 1,699 1,700 1,701 1,708 2,709 8,710 1,711 1,714 3,716 16,729 1,738 30,739 18,740 2,741 23,743 33,744 15,745 13,746 4,747 8,748 2,752 4,753 6,768 15,772 2,778 1,781 1,782 2,785 1,786 1,789 10,790 4,791 2,792 5,794 1,797 4,799 1,803 0.5,804 1,822 2,823 2,826 2,855 2,862 20,871 1,886 3.3,889 1,893 9.333,894 5.483,895 4.278,896 1.742,898 3.534,899 1.494,900 1.091,901 2.361,902 10.688,903 3.526,904 4.186,905 4.849,906 5.494,907 5.982,908 6.229,909 6.671,910 7.076,911 7.208,912 7.548,913 1,914 30,915 7.348,917 3.236,918 7.783,919 13.877,921 11.632,924 2.283,925 45.667,926 0.001,929 94.169,930 95.401,931 68.367,933 25.145,936 95.401,937 119.314,938 68.367,941 75.81,942 66.974,943 43.985,944 2.144,945 94.169,947 94.169,948 163.768,949 25.145,952 94.169,953 25.145,956 37.614,957 91.358,958 34.796,960 94.169,961 93.512,962 95.401,965 94.169,966 19.591,967 75.81,968 34.796,969 58.716,970 94.169,971 93.512,972 95.401,973 0.585,974 0.351,975 0.205,976 0.107,977 19,978 7,979 0.061,980 2,981 2,982 1.222,983 3.351,984 159.695,985 0.222,986 18,987 86.439,993 11.236,994 4.203,995 1.81,996 1.807,997 76.727,998 15.095,999 4.415,1000 3.154,1003 1.999,1005 34.796,1006 283.082,1007 33,1013 11.78,1016 4.029,1017 0.309,1020 30.385,1021 33.448,1022 0.322,1023 0.647,1024 0.769,1025 0.918,1026 0.986,1027 1,1028 4.754,1029 1.198,1030 5.587,1031 2.967,1032 4.205,1033 4.871,1034 1.543,1035 6.425,1036 4.145,1037 5.984,1038 0.919,1039 7.154,1040 2.785,1041 3.761,1042 4.663,1044 7.334,1045 3.677,1046 7.305,1047 0.347,1048 8.822,1049 2.276,1050 5.814,1051 7.145,1052 1.713,1053 10.476,1054 5.694,1055 8.667,1056 -0.151,1057 10.55,1058 0.86,1059 6.236,1060 7.813,1062 12.26,1063 6.092,1064 10.062,1065 -0.572,1066 12.318,1067 -0.432,1068 7.74,1069 9.726,1070 1.99,1071 14.89,1072 7.568,1073 11.483,1074 -0.769,1075 14.114,1076 -1.349,1077 8.566,1078 10.819,1080 17.027,1081 8.372,1082 12.924,1083 -0.871,1084 15.929,1085 -1.926,1086 9.847,1087 12.484,1088 2.311,1089 19.485,1090 9.63,1091 3.187,1092 -1,1093 17.76,1094 -2.119,1095 10.854,1096 13.779,1098 21.763,1099 10.617,1100 2.97,1101 10.935,1102 19.603,1103 -2.625,1104 12.047,1105 15.334,1106 2.653,1107 24.163,1108 11.789,1109 2.257,1110 9.479,1111 21.454,1112 4.405,1113 13.131,1114 16.721,1116 26.498,1117 12.855,1118 1.932,1119 7.052,1120 23.313,1121 4.161,1122 14.29,1123 18.227,1124 3.007,1125 28.88,1126 13.996,1127 1.793,1128 5.812,1129 25.179,1130 2.938,1131 15.407,1132 19.657,1134 31.24,1135 15.095,1136 1.532,1137 4.901,1138 27.049,1139 2.644,1140 16.554,1141 21.141,1142 3.368,1143 33.619,1144 16.226,1145 1.368,1146 4.312,1147 28.923,1148 2.53,1149 17.686,1150 22.59,1152 35.99,1153 17.341,1154 3792,1155 6418,1156 16.008,1157 21.762,1158 35.548,1159 36.1,1160 35.546,1161 35.002,1162 35.009,1163 49.206,1164 3.651,1165 102.757,1166 34.002,1167 5.407,1168 5.698,1169 6.406,1170 5.252,1171 5.187,1172 7.405,1173 2.415,1174 17.916,1175 5.135,1176 5.3,1177 1.546,1178 1.57,1179 1.545,1180 1.522,1181 1.522,1182 2.139,1183 0.159,1184 4.468,1185 1.478,1186 4.109,1187 4.154,1188 4.076,1189 3.983,1190 7.432,1191 3.999,1192 3.983,1193 4.006,1194 3.949,1195 3.905,1196 5.087,1197 3.911,1198 3.465,1199 3.527,1200 3.388,1201 3.281,1202 4.794,1203 3.304,1204 3.314,1205 3.359,1206 3.246,1207 3.129,1208 4.434,1209 3.152,1210 2.965,1211 3.012,1212 2.884,1213 2.818,1214 4.251,1215 2.822,1216 2.909,1217 2.974,1218 2.791,1219 2.776,1220 3.852,1221 2.77,1222 2.674,1223 2.754,1224 2.534,1225 2.458,1226 3.634,1227 2.472,1228 2.418,1229 2.452,1230 2.326,1231 2.19,1232 3.448,1233 2.226,1234 0.198,1235 0.161,1236 0.292,1237 0.181,1238 0.139,1239 4.551,1240 0.192,1241 3.698,1242 0.053,1243 6.723,1244 0.475,1245 4.169,1246 0.136,1247 3.187,1248 4.405,1249 1.208,1250 10.935,1251 3.135,1252 1.91,1253 1.881,1254 2.01,1255 2.008,1256 1.098,1257 2.011,1258 1.882,1259 1.861,1260 1.983,1261 1.954,1262 1.09,1263 1.964,1264 1.48,1265 1.415,1266 1.567,1267 1.768,1268 0.543,1269 1.718,1270 1.214,1271 1.174,1272 1.311,1273 1.482,1274 0.313,1275 1.425,1276 0.979,1277 0.941,1278 1.144,1279 1.176,1280 0.222,1281 1.167,1282 0.939,1283 0.889,1284 1.125,1285 1.111,1286 0.189,1287 1.115,1288 0.77,1289 0.704,1290 1.038,1291 0.966,1292 0.081,1293 1.001,1294 0.684,1295 0.616,1296 0.921,1297 0.9,1299 0.926,1300 3.85,1302 5.187,1303 3.045,1304 6.718,1305 5.476,1306 8.334,1307 7.618,1308 9.995,1317 3.079,1326 21.381,1327 47.384,1328 95.207,1329 113.207,1330 135.207,1331 145.207,1332 147.207,1333 22.202,1334 7.154,1335 70.67,1336 70.67,1337 22,1338 12.41,1339 4.248,1340 3.459,1341 26.219,1342 60,1343 46,1344 0.221,1345 129.909,1346 214.95,1347 308.738,1348 11765,1350 13.527,1351 0.676,1352 0.521,1353 13.527,1354 10.421,1355 9.81,1356 0.427,1357 0.272,1358 6.176,1359 9.501,1360 6.083,1361 5.027,1362 9.81,1363 6.253,1364 8.963,1365 0.272,1366 0.138,1367 8.963,1368 4.539,1369 7.861,1370 0.171,1371 0.071,1372 7.861,1373 3.252,1374 7.056,1375 0.11,1376 0.036,1377 7.056,1378 2.318,1379 5.59,1380 0.074,1381 0.019,1382 5.59,1383 1.47,1384 0.339,1385 61.068,1386 0.25,1387 19.71,1388 0.628,1389 112,1390 325.691,1391 122.651,1392 321.862,1393 452.42,1394 302,1395 135,1396 347.777,1397 145.681,1398 352.671,1399 522.2,1400 334,1401 6.006}
{0 CHEMBL1490222,1 1.597,2 8.458,3 3.639,4 13.242,5 93.719,6 8.313,7 0.654,8 3.807,9 3.909,10 3.458,11 3.427,12 4.993,13 3.398,14 4.291,15 4.437,16 3.848,17 3.809,18 5.454,19 3.763,20 4.55,21 4.703,22 3.992,23 3.973,24 5.733,25 3.91,26 4.664,27 4.854,28 4.032,29 3.986,30 5.827,31 3.91,32 4.677,33 4.872,34 4.048,35 3.967,36 5.914,37 3.898,38 4.62,39 4.783,40 3.936,41 3.921,42 5.957,43 3.843,44 4.629,45 4.85,46 3.809,47 3.812,48 5.848,49 3.704,50 4.363,51 4.603,52 3.332,53 3.576,54 5.424,55 3.424,56 0.046,57 0.54,58 6.96,59 3.604,60 9.615,61 4.401,62 0.12,63 0.867,64 13.193,65 6.053,66 17.479,67 7.754,68 0.244,69 1.083,70 19.428,71 7.804,72 44.418,73 9.557,74 0.318,75 1.179,76 24.622,77 8.986,78 47.152,79 11.351,80 0.407,81 1.163,82 27.449,83 9.321,84 55.308,85 11.586,86 0.362,87 1.073,88 24.397,89 8.846,90 72.357,91 10.521,92 0.512,93 1.086,94 28.167,95 8.86,96 78.834,97 10.941,98 0.236,99 0.833,100 23.55,101 7.378,102 34.666,103 9.681,104 28,105 37,106 0.279,107 0.639,108 0.753,109 0.846,110 0.863,111 0.863,112 3.23,113 0.917,114 -4.77,115 -4.68,116 -4.4,120 46.3,121 2,128 1,143 7,144 4,145 2,146 1,147 1,159 1,174 10,177 3,180 1,182 4,185 13,189 2,192 1,194 5,197 12,201 4,205 1,206 4,209 10,214 4,217 1,219 7,222 9,227 4,230 1,232 5,235 9,239 1,240 6,245 2,247 11,252 3,257 1,260 8,264 2,271 6,274 798,275 15.845,276 15.845,277 15.845,278 15.845,279 15.845,280 13.526,281 14.323,282 9.27,283 16.055,284 12.81,285 12.81,286 12.81,287 12.81,288 12.81,289 9.421,290 14.867,291 4.391,292 13.218,293 3.761,294 1.709,295 1.053,296 0.525,297 0.427,298 0.427,299 3.905,303 1,305 1,306 1,307 1,308 429,309 3.24,313 199.056,317 105.437,320 1.125,321 26.486,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 51.333,333 203,334 4.662,335 3.641,336 6.885,337 4.234,338 3.264,339 4.598,340 1.914,341 11.461,342 3.159,343 4.192,344 3.425,345 6.424,346 3.86,347 2.884,348 3.725,349 1.157,350 9.864,351 2.807,352 3.822,353 3.129,354 5.689,355 3.417,356 2.426,357 3.311,359 7.289,360 2.404,361 3.592,362 2.687,363 5.28,364 3.181,365 2.223,366 2.979,368 6.385,369 2.154,370 3.486,371 2.527,372 4.994,373 3.058,374 2.081,375 2.756,377 5.795,378 2.011,379 3.358,380 2.168,381 4.686,382 2.933,383 1.964,384 2.609,386 5.141,387 1.824,388 2.914,389 1.647,390 4.117,391 2.434,392 1.452,393 2.104,395 3.363,396 1.418,397 2.5,398 1.287,399 3.706,400 2.008,401 1.063,402 1.5,404 2.697,405 1,406 2.493,407 1.154,408 3.625,409 2,410 1,411 1.488,413 2.402,414 0.979,415 2.269,416 1,417 3.414,418 1.893,419 0.948,420 1.199,422 2.275,423 0.884,424 1.58,425 0.915,426 3.177,427 1.184,428 0.314,429 0.374,431 0.786,432 0.247,433 1.1,434 0.494,435 2.618,436 0.798,437 -0.193,438 -0.231,440 -0.431,441 -0.191,442 0.977,443 0.107,444 2.395,445 0.491,446 -0.481,447 -0.655,449 -1.263,450 -0.465,451 0.627,452 -0.075,453 2.175,454 0.213,455 -0.682,456 -0.802,458 -1.704,459 -0.478,460 0.573,461 -0.337,462 2,463 0.093,464 -0.888,465 -1.137,467 -2,468 -0.833,469 11.681,470 0.487,471 0.703,472 0.029,473 32.75,474 1.365,475 18,476 0.75,477 14.75,478 0.615,479 18.767,480 0.782,481 24.919,482 0.608,483 24.486,484 1.02,485 6.609,486 0.275,487 4.86,488 0.203,489 0.204,491 0.385,496 0.752,497 1.073,498 0.626,499 0.846,500 0.736,501 0.824,502 0.594,503 1.076,504 0.629,505 0.873,506 0.549,507 0.844,508 1.044,509 1.135,510 0.946,511 0.999,512 1.08,513 1.009,514 0.976,515 1.067,516 0.91,517 0.985,518 0.926,519 0.964,520 1.033,521 0.912,522 0.952,523 0.97,524 0.978,525 0.903,526 1.324,527 1.206,528 1.204,529 1.188,530 1.376,531 1.151,532 1.296,533 0.874,534 1.12,535 0.901,536 1.31,537 0.947,538 0.941,539 0.899,540 1.391,541 1.149,542 0.769,543 1.117,544 5,545 0.025,546 3.111,547 1.938,548 1.96,549 1.181,550 0.751,551 0.484,552 0.172,553 0.109,554 5374,555 16125,556 2.015,557 41.5,558 3,559 8,561 1,562 2,563 3,567 1.678,568 1.846,569 3.019,570 0.255,572 1,574 1,575 65.462,576 1.597,577 3.649,578 4.305,579 4.833,580 4.93,581 4.93,582 2.422,583 3.97,584 4.557,585 3.151,586 869.727,587 7.913,588 9898.84,589 1,590 1,592 1,593 219.66,594 1.528,595 4.493,596 0.192,597 0.008,598 0.084,599 0.048,600 0.05,601 0.03,602 0.021,603 0.017,604 0.009,605 0.012,606 0.474,607 0.33,608 1,609 1.045,610 111.046,611 -0.081,612 0.013,613 -0.001,614 0.062,615 -0.115,616 0.051,617 0.075,618 -0.014,619 0.092,620 0.053,621 0.061,622 0.073,623 -0.083,624 -0.095,625 -0.081,626 -0.063,627 -0.122,628 -0.101,629 0.018,630 -0.06,631 0.046,632 -0.028,633 -0.018,634 -0.014,635 0.074,636 0.069,637 0.089,638 0.007,639 0.074,640 0.061,641 -0.058,642 -0.252,643 -0.163,644 -0.211,645 0.009,646 -0.216,647 -0.056,648 0.094,649 -0.009,650 0.082,651 -0.043,652 0.029,653 -0.094,654 0.039,655 -0.191,656 -0.125,657 0.001,658 -0.08,659 1.864,660 4.701,661 0.667,662 17.25,663 1.006,664 1.114,665 3.536,666 12.505,667 0.704,668 3.296,669 3.638,670 3.912,671 4.205,672 4.489,673 4.522,674 4.615,675 4.7,676 4.7,677 4.5,678 5.083,679 0.671,680 340.83,681 3.296,682 4.844,683 5.7,684 6.594,685 7.478,686 8.378,687 9.273,688 10.176,689 11.076,690 11.98,691 4.9,698 1,701 1,708 2,709 8,710 1,714 5,716 17,734 1,737 1,738 41,739 18,740 2,741 26,743 43,744 19,745 15,746 7,747 5,752 3,753 4,754 1,759 2,766 1,768 16,769 3,772 1,778 1,782 1,785 1,786 1,789 17,790 4,791 2,792 5,793 1,797 2,803 0.667,804 2,816 1,823 3,827 1,838 1,855 2,859 2,860 1,862 24,868 1,871 1,874 1,885 1,886 4.9,888 1,889 1,893 13,894 7.96,895 5.25,896 2.334,898 3.227,899 1.464,900 0.962,901 4.63,902 10.177,903 3.597,904 4.248,905 4.848,906 5.471,907 6.091,908 6.367,909 6.771,910 7.19,911 7.578,912 7.658,913 0.833,914 40,915 8.87,917 3.806,918 7.887,919 16.623,921 13.555,924 2.387,925 57.278,928 1,929 176.567,930 115.511,931 34.796,932 39.149,933 67.828,936 115.511,937 283.543,938 34.796,939 17.65,940 18.011,941 66.334,942 101.09,943 26.822,945 164.795,946 39.149,947 176.567,948 150.307,949 67.828,950 39.149,952 176.567,953 67.828,956 46.853,957 86.669,958 55.934,960 176.567,961 102.625,962 154.659,965 176.567,966 22.479,967 93.032,968 18.011,969 123.762,970 176.567,971 102.625,972 154.659,973 0.586,974 0.338,975 0.191,976 0.118,977 18,978 9,979 0.07,980 3,981 1,982 1.125,983 3.415,984 201.462,985 0.125,986 16,987 106.039,993 16.593,994 6.697,995 3.343,996 1.091,997 102.625,998 14.608,999 4.224,1003 2.994,1005 60.694,1006 433.85,1007 35.5,1013 11.686,1017 -0.197,1020 41.251,1021 45.681,1022 0.298,1023 0.681,1024 0.804,1025 0.902,1026 0.92,1027 0.92,1028 4.83,1029 1.063,1030 5.707,1031 3.363,1032 4.317,1033 4.934,1034 2.204,1035 6.553,1036 4.254,1037 6.067,1038 1,1039 7.291,1040 2.697,1041 4.007,1042 4.844,1043 1.796,1044 7.542,1045 3.902,1046 7.392,1047 0.948,1048 8.978,1049 2.402,1050 5.938,1051 7.204,1052 3.026,1053 10.678,1054 5.823,1055 8.753,1056 0.314,1057 10.725,1058 2.275,1059 6.415,1060 7.916,1061 3.131,1062 12.497,1063 6.253,1064 10.144,1065 -0.193,1066 12.512,1067 0.786,1068 7.861,1069 9.787,1070 4.101,1071 15.177,1072 7.689,1073 11.558,1074 -0.481,1075 14.327,1076 -0.431,1077 8.705,1078 10.899,1079 4.464,1080 17.339,1081 8.486,1082 12.991,1083 -0.682,1084 16.162,1085 -1.263,1086 9.966,1087 12.565,1088 5.294,1089 19.858,1090 9.73,1091 3.264,1092 -0.888,1093 18.013,1094 -1.704,1095 10.984,1096 13.885,1097 5.792,1098 22.166,1099 10.704,1100 2.884,1101 11.461,1102 19.876,1103 -2,1104 12.177,1105 15.462,1106 6.541,1107 24.625,1108 11.873,1109 2.426,1110 9.864,1111 21.749,1112 4.598,1113 13.276,1114 16.887,1115 7.11,1116 26.997,1117 12.931,1118 2.223,1119 7.289,1120 23.63,1121 3.725,1122 14.446,1123 18.428,1124 7.814,1125 29.434,1126 14.073,1127 2.081,1128 6.385,1129 25.517,1130 3.311,1131 15.583,1132 19.903,1133 8.42,1134 31.836,1135 15.171,1136 1.964,1137 5.795,1138 27.409,1139 2.979,1140 16.749,1141 21.431,1142 9.099,1143 34.266,1144 16.306,1145 1.452,1146 5.141,1147 29.305,1148 2.756,1149 17.903,1150 22.931,1151 9.725,1152 36.682,1153 17.424,1154 5347,1155 9375,1156 16.819,1157 28.87,1158 39.698,1159 40.45,1160 41.379,1161 39.249,1162 39.239,1163 53.285,1164 6.14,1165 114.913,1166 37.772,1167 5.478,1168 5.641,1169 6.564,1170 5.272,1171 5.264,1172 7.598,1173 3.316,1174 19.129,1175 5.159,1176 13.409,1177 1.527,1178 1.556,1179 1.592,1180 1.51,1181 1.509,1182 2.049,1183 0.236,1184 4.42,1185 1.453,1186 4.097,1187 4.116,1188 4.14,1189 4.035,1190 7.43,1191 4.038,1192 3.915,1193 3.944,1194 3.864,1195 3.857,1196 6.469,1197 3.852,1198 3.613,1199 3.661,1200 3.541,1201 3.454,1202 5.01,1203 3.461,1204 3.445,1205 3.483,1206 3.521,1207 3.28,1208 4.739,1209 3.292,1210 3.202,1211 3.269,1212 3.301,1213 3.08,1214 4.646,1215 3.064,1216 3.058,1217 3.082,1218 3.013,1219 2.905,1220 4.18,1221 2.911,1222 2.878,1223 2.975,1224 2.687,1225 2.735,1226 3.863,1227 2.715,1228 2.854,1229 2.925,1230 2.686,1231 2.683,1232 3.808,1233 2.67,1234 0.179,1235 0.14,1236 0.265,1237 0.163,1238 0.126,1239 4.662,1240 0.177,1241 3.641,1242 0.074,1243 6.885,1244 0.441,1245 4.234,1246 0.121,1247 3.264,1248 4.598,1249 1.914,1250 11.461,1251 3.159,1252 2.047,1253 2.031,1254 2.105,1255 2.127,1256 1.293,1257 2.123,1258 1.914,1259 1.887,1260 2.019,1261 1.996,1262 1.135,1263 2.008,1264 1.561,1265 1.516,1266 1.755,1267 1.775,1268 0.852,1269 1.767,1270 1.408,1271 1.363,1272 1.632,1273 1.582,1274 0.695,1275 1.598,1276 1.218,1277 1.155,1278 1.503,1279 1.403,1280 0.575,1281 1.444,1282 0.976,1283 0.944,1284 1.217,1285 1.184,1286 0.353,1287 1.208,1288 0.886,1289 0.821,1290 1.181,1291 1.152,1292 0.218,1293 1.132,1294 0.862,1295 0.787,1296 1.051,1297 1.062,1298 0.044,1299 1.107,1300 3.97,1302 5.303,1304 6.841,1306 8.478,1308 10.172,1310 3.435,1311 6.364,1314 10.701,1317 2.879,1320 -0.507,1326 27.514,1327 65.462,1328 149.602,1329 176.498,1330 198.15,1331 202.15,1332 202.15,1333 48.365,1334 6.95,1335 62.22,1336 62.22,1337 18,1338 12.5,1339 4.248,1340 3.392,1341 38.846,1342 71,1343 80,1344 0.269,1345 174.412,1346 298.51,1347 417.326,1348 8125,1349 2.4,1350 17.267,1351 0.719,1352 0.589,1353 17.767,1354 14.133,1355 11.469,1356 0.441,1357 0.306,1358 7.535,1359 10.902,1360 7.236,1361 6.029,1362 11.758,1363 7.947,1364 10.661,1365 0.288,1366 0.166,1367 11.032,1368 6.147,1369 8.56,1370 0.175,1371 0.086,1372 8.892,1373 4.227,1374 7.224,1375 0.109,1376 0.045,1377 7.567,1378 2.999,1379 6.349,1380 0.072,1381 0.025,1382 6.738,1383 2.207,1384 0.403,1385 74.008,1386 0.244,1387 22.751,1388 0.805,1389 126,1390 366.067,1391 149.612,1392 390.634,1393 519.77,1394 362,1395 149,1396 354.966,1397 168.417,1398 373.616,1399 545.07,1400 351,1401 6.04}
{0 CHEMBL1490478,1 1.698,2 10.167,3 4.582,4 20.998,5 93.458,6 9.682,7 0.63,8 3.743,9 3.835,10 3.536,11 3.417,12 4.897,13 3.395,14 4.261,15 4.388,16 3.963,17 3.835,18 5.433,19 3.79,20 4.52,21 4.696,22 4.074,23 3.924,24 5.694,25 3.857,26 4.435,27 4.607,28 3.969,29 3.801,30 5.692,31 3.728,32 4.274,33 4.439,34 3.66,35 3.637,36 5.515,37 3.554,38 4.146,39 4.318,40 3.518,41 3.53,42 5.291,43 3.452,44 4.127,45 4.33,46 3.617,47 3.416,48 5.403,49 3.337,50 3.941,51 4.141,52 3.388,53 3.255,54 5.08,55 3.182,56 0.055,57 0.505,58 3.969,59 2.783,60 6.587,61 3.255,62 0.167,63 0.845,64 8.868,65 5.126,66 16.998,67 6.249,68 0.313,69 1.053,70 19.092,71 7.305,72 35.979,73 8.529,74 0.425,75 0.931,76 20.833,77 6.66,78 48.071,79 7.209,80 0.371,81 0.765,82 19.865,83 6.133,84 42.169,85 7.004,86 0.191,87 0.714,88 11.348,89 5.116,90 26.345,91 5.968,92 0.343,93 0.687,94 14.488,95 5.439,96 43.683,97 6.748,98 0.2,99 0.574,100 12.052,101 4.352,102 27.559,103 5.029,104 10,105 39,106 0.302,107 0.682,108 0.812,109 0.897,110 0.897,111 0.897,112 3.229,113 0.935,114 -5.21,115 -5.1,116 -4.77,120 48.6,122 3,143 5,144 3,145 2,146 1,147 2,148 1,159 1,174 8,177 6,180 2,182 2,185 11,189 8,194 3,197 7,200 1,201 5,206 1,209 11,213 1,214 4,217 1,219 2,222 11,227 1,235 7,239 1,240 6,245 3,247 3,252 3,257 2,260 3,264 3,271 4,274 752,275 16.24,276 16.24,277 16.24,278 16.24,279 16.24,280 14.06,281 15.085,282 9.364,283 16.609,284 13.31,285 13.31,286 13.31,287 13.31,288 13.31,289 9.94,290 14.951,291 4.457,292 14.029,293 3.511,294 1.368,295 0.638,296 0.162,297 0.162,298 0.162,299 3.926,303 2,306 1,307 1,308 543,309 2.828,312 50.718,313 171.521,316 82.06,317 83.73,320 1.597,321 24.971,323 1,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 51.167,333 244,334 4.648,335 3.582,336 6.779,337 4.189,338 3.228,339 4.582,340 1.058,341 11.078,342 3.094,343 4.176,344 3.457,345 6.132,346 3.827,347 2.838,348 3.702,350 8.967,351 2.803,352 3.991,353 2.938,354 5.904,355 3.54,356 2.591,357 3.582,359 8.131,360 2.469,361 3.781,362 2.711,363 5.4,364 3.379,365 2.409,366 3.189,368 7.052,369 2.301,370 3.458,371 2.474,372 5.252,373 2.983,374 2.087,375 2.82,377 6.255,378 1.831,379 3.366,380 2.386,381 4.892,382 2.896,383 1.989,384 2.667,386 5.676,387 1.726,388 2.82,389 1.824,390 4.134,391 2.331,392 1.338,393 1.882,395 3.387,396 1.307,397 2.558,398 1.427,399 4.023,400 2.144,401 1.148,402 1.557,404 3.235,405 1.134,406 2.5,407 1.332,408 3.61,409 2.094,410 1.106,411 1.5,413 2.554,414 1.089,415 2.241,416 1.017,417 3.414,418 1.958,419 1,420 1.219,422 2.275,423 0.956,424 1.762,425 1,426 3.343,427 1.509,428 0.602,429 0.671,431 1.524,432 0.494,433 1.401,434 0.781,435 2.864,436 0.965,437 0.079,438 0.098,440 0.179,441 0.061,442 1.265,443 0.224,444 2.786,445 0.773,446 -0.108,447 -0.143,449 -0.288,450 -0.085,451 0.885,452 0.132,453 2.356,454 0.456,455 -0.512,456 -0.657,458 -1.365,459 -0.433,460 0.698,461 -0.363,462 2.265,463 0.218,464 -0.684,465 -0.92,467 -1.63,468 -0.581,469 11.962,470 0.498,471 0.644,472 0.027,473 33.75,474 1.406,475 18,476 0.75,477 15.75,478 0.656,479 18.064,480 0.753,481 24.038,482 0.65,483 22.295,484 0.929,485 6.328,486 0.264,487 5.287,488 0.22,489 0.147,491 0.376,496 0.613,497 1.114,498 0.497,499 0.759,500 0.528,501 0.737,502 0.555,503 1.112,504 0.577,505 0.854,506 0.515,507 0.866,508 0.973,509 1.145,510 0.863,511 0.958,512 0.875,513 0.946,514 1.353,515 0.932,516 1.181,517 0.961,518 1.323,519 0.974,520 1.187,521 0.902,522 1.271,523 1.2,524 1.363,525 1.149,526 1.003,527 1.137,528 0.762,529 1.06,530 1.274,531 1.105,532 0.449,533 1.033,534 0.601,535 1.066,536 0.669,537 0.996,538 1.2,539 1.082,540 0.832,541 0.868,542 1.34,543 0.877,544 5,545 0.085,546 3.111,547 1.625,548 1.831,549 0.577,550 0.47,551 0.298,552 0.226,553 0.152,554 6766,555 21847,556 2.135,557 35.1,558 4,559 5,561 1,562 1,563 2,567 1.666,568 2,569 3.315,570 -0.301,575 62.831,576 1.698,577 3.841,578 4.571,579 5.047,580 5.047,581 5.047,582 2.772,583 4.054,584 4.557,585 3.457,586 954.163,587 7.848,588 11050.1,590 1,593 192.75,594 1.406,595 4.518,596 0.185,597 0.006,598 0.08,599 0.042,600 0.055,601 0.021,602 0.02,603 0.014,604 0.012,605 0.01,606 0.444,607 0.5,608 1,609 0.566,610 113.895,611 -0.048,612 -0.064,613 0.005,614 0.012,615 -0.03,616 0.03,617 0.102,618 -0.082,619 0.042,620 -0.021,621 0.084,622 -0.024,623 -0.062,624 -0.13,625 0.015,626 -0.025,627 -0.006,628 -0.005,629 -0.162,630 0.09,631 -0.128,632 0.004,633 -0.099,634 -0.043,635 -0.054,636 0.042,637 -0.26,638 -0.217,639 -0.067,640 -0.187,641 -0.117,642 -0.17,643 -0.074,644 -0.138,645 -0.159,646 -0.158,647 0.474,648 -0.083,649 0.248,650 -0.074,651 0.376,652 0.042,653 -0.132,654 -0.096,655 0.073,656 0.118,657 -0.133,658 0.126,659 1.912,660 5.417,661 0.792,662 19.944,663 1.016,664 1.11,665 3.981,666 15.85,667 0.75,668 3.332,669 3.689,670 3.989,671 4.263,672 4.5,673 4.605,674 4.754,675 4.875,676 4.949,677 4.942,678 5.94,679 0.719,680 358.24,681 3.332,682 4.89,683 5.759,684 6.65,685 7.534,686 8.43,687 9.321,688 10.219,689 11.115,690 12.015,691 8.1,698 1,701 2,708 2,709 6,710 2,714 6,716 17,723 1,737 2,738 37,739 18,740 1,741 27,743 40,744 18,745 14,746 3,747 3,748 1,752 4,753 7,754 2,763 3,766 3,768 15,769 3,772 1,778 1,782 1,786 1,789 13,790 4,791 1,792 6,793 2,797 3,803 0.5,804 1,816 2,822 1,823 3,826 1,827 1,855 2,860 2,862 24,869 3,871 1,885 2,886 2.7,889 1,893 12,894 6.852,895 5.139,896 2.323,898 3.31,899 1.442,900 1.038,901 3.969,902 10.803,903 3.624,904 4.29,905 4.922,906 5.533,907 6.147,908 6.497,909 6.921,910 7.305,911 7.678,912 7.79,913 0.857,914 39,915 8.856,917 3.884,918 7.801,919 16.815,921 14.219,924 2.301,925 55.222,929 141.253,930 91.911,931 51.582,932 78.297,933 25.145,936 91.911,937 244.695,938 51.582,940 25.614,941 47.381,942 75.192,943 29.894,944 2.328,945 129.482,946 78.297,947 141.253,948 143.493,949 25.145,950 78.297,952 141.253,953 25.145,956 39.563,957 70.359,958 111.868,960 141.253,961 76.727,962 170.208,965 141.253,966 35.482,967 56.429,968 18.011,969 137.013,970 141.253,971 76.727,972 170.208,973 0.593,974 0.352,975 0.187,976 0.1,977 21,978 9,979 0.05,980 2,981 2,982 1.211,983 3.652,984 202.094,985 0.211,986 19,987 110.039,993 15.523,994 6.136,995 2.922,996 1.635,997 76.727,998 10.196,999 8.748,1003 4.437,1005 18.011,1006 388.188,1007 36.5,1013 12.417,1017 -0.245,1020 37.582,1021 41.084,1022 0.326,1023 0.737,1024 0.878,1025 0.969,1026 0.969,1027 0.969,1028 4.869,1029 1.148,1030 5.759,1031 3.387,1032 4.369,1033 4.977,1034 1.176,1035 6.592,1036 4.272,1037 6.103,1038 1.106,1039 7.334,1040 3.235,1041 4.007,1042 4.902,1044 7.513,1045 3.827,1046 7.433,1047 1,1048 9.006,1049 2.554,1050 5.989,1051 7.262,1052 1.255,1053 10.624,1054 5.821,1055 8.798,1056 0.602,1057 10.734,1058 2.275,1059 6.431,1060 7.988,1062 12.36,1063 6.199,1064 10.193,1065 0.079,1066 12.499,1067 1.524,1068 7.89,1069 9.844,1070 1.338,1071 15,1072 7.659,1073 11.609,1074 -0.108,1075 14.288,1076 0.179,1077 8.701,1078 10.953,1080 17.087,1081 8.417,1082 13.043,1083 -0.512,1084 16.097,1085 -0.288,1086 9.958,1087 12.604,1088 1.422,1089 19.567,1090 9.661,1091 3.228,1092 -0.684,1093 17.92,1094 -1.365,1095 10.945,1096 13.913,1098 21.818,1099 10.601,1100 2.838,1101 11.078,1102 19.755,1103 -1.63,1104 12.126,1105 15.478,1106 1.51,1107 24.242,1108 11.757,1109 2.591,1110 8.967,1111 21.6,1112 4.582,1113 13.198,1114 16.889,1116 26.569,1117 12.785,1118 2.409,1119 8.131,1120 23.453,1121 3.702,1122 14.354,1123 18.42,1124 1.599,1125 28.975,1126 13.907,1127 2.087,1128 7.052,1129 25.313,1130 3.582,1131 15.468,1132 19.885,1134 31.339,1135 14.977,1136 1.989,1137 6.255,1138 27.18,1139 3.189,1140 16.618,1141 21.404,1142 1.69,1143 33.74,1144 16.089,1145 1.338,1146 5.676,1147 29.052,1148 2.82,1149 17.754,1150 22.896,1152 36.123,1153 17.181,1154 6340,1155 11518,1156 18.205,1157 27.756,1158 40.961,1159 43.033,1160 42.208,1161 41.052,1162 40.829,1163 54.938,1164 2.117,1165 120.628,1166 38.528,1167 5.481,1168 5.582,1169 6.267,1170 5.241,1171 5.228,1172 7.582,1173 2.117,1174 18.624,1175 5.094,1176 10.618,1177 1.517,1178 1.594,1179 1.563,1180 1.52,1181 1.512,1182 2.035,1183 0.078,1184 4.468,1185 1.427,1186 4.121,1187 4.143,1188 4.162,1189 4.059,1190 7.429,1191 4.061,1192 3.876,1193 3.914,1194 3.98,1195 3.764,1196 5.046,1197 3.77,1198 3.737,1199 3.773,1200 3.703,1201 3.66,1202 5.009,1203 3.652,1204 3.369,1205 3.397,1206 3.486,1207 3.213,1208 4.551,1209 3.224,1210 3.03,1211 3.094,1212 3.382,1213 2.899,1214 4.462,1215 2.897,1216 3.021,1217 3.065,1218 3.102,1219 2.868,1220 4.348,1221 2.871,1222 2.806,1223 2.87,1224 2.889,1225 2.667,1226 3.905,1227 2.658,1228 2.735,1229 2.825,1230 2.621,1231 2.54,1232 3.804,1233 2.532,1234 0.172,1235 0.133,1236 0.251,1237 0.155,1238 0.12,1239 4.648,1240 0.17,1241 3.582,1242 0.039,1243 6.779,1244 0.41,1245 4.189,1246 0.115,1247 3.228,1248 4.582,1249 1.058,1250 11.078,1251 3.094,1252 2.039,1253 2.023,1254 2.083,1255 2.112,1256 1.263,1257 2.108,1258 1.811,1259 1.778,1260 1.886,1261 1.948,1262 1.17,1263 1.939,1264 1.564,1265 1.529,1266 1.83,1267 1.728,1268 0.934,1269 1.767,1270 1.535,1271 1.483,1272 1.643,1273 1.658,1274 0.867,1275 1.654,1276 1.15,1277 1.116,1278 1.285,1279 1.379,1280 0.367,1281 1.361,1282 0.92,1283 0.871,1284 1.138,1285 1.086,1286 0.2,1287 1.109,1288 0.833,1289 0.787,1290 1.07,1291 1.006,1292 0.163,1293 1.037,1294 0.731,1295 0.658,1296 0.971,1297 0.954,1299 0.977,1300 4.007,1302 5.352,1303 2.398,1304 6.893,1305 4.595,1306 8.526,1307 6.605,1308 10.21,1311 12.296,1315 2.992,1317 2.748,1326 26.595,1327 62.831,1328 142.121,1329 169.14,1330 186.75,1331 186.75,1332 186.75,1333 36.7,1334 7.493,1335 54.88,1336 54.88,1337 23,1338 12.538,1339 4.248,1340 3.392,1341 34.01,1342 86,1343 92,1344 0.196,1345 168.557,1346 286.27,1347 403.04,1348 18052,1349 5.4,1350 16.681,1351 0.695,1352 0.59,1353 17.681,1354 14.156,1355 11.614,1356 0.43,1357 0.312,1358 7.654,1359 10.776,1360 7.443,1361 6.093,1362 12.192,1363 8.412,1364 10.786,1365 0.277,1366 0.168,1367 11.527,1368 6.567,1369 9.401,1370 0.177,1371 0.091,1372 10.118,1373 4.83,1374 7.844,1375 0.112,1376 0.049,1377 8.449,1378 3.46,1379 6.281,1380 0.071,1381 0.025,1382 6.79,1383 2.237,1384 0.307,1385 77.884,1386 0.234,1387 23.406,1388 0.539,1389 132,1390 387.765,1391 171.137,1392 441.018,1393 586.94,1394 410,1395 158,1396 389.897,1397 189.9,1398 415.982,1399 613.31,1400 393,1401 4.649}
{0 CHEMBL1490601,1 1.558,2 9.034,3 2.082,4 4.334,5 103.862,6 7.735,7 0.375,8 4.042,9 4.141,10 3.63,11 3.58,12 5.207,13 3.576,14 4.597,15 4.737,16 4.064,17 4.012,18 5.745,19 3.993,20 4.93,21 5.103,22 4.222,23 4.187,24 6.103,25 4.165,26 5.041,27 5.211,28 4.273,29 4.202,30 6.376,31 4.19,32 5.039,33 5.211,34 4.249,35 4.22,36 6.393,37 4.198,38 5.027,39 5.211,40 4.183,41 4.228,42 6.333,43 4.174,44 5.05,45 5.272,46 4.027,47 4.139,48 6.212,49 4.066,50 4.882,51 5.097,52 3.819,53 3.946,54 6.14,55 3.868,56 0.09,57 0.708,58 9.726,59 4.826,60 15.518,61 5.779,62 0.369,63 1.194,64 18.89,65 8.153,66 42.403,67 10.343,68 0.548,69 1.569,70 28.958,71 10.645,72 75.955,73 13.494,74 0.879,75 1.645,76 34.091,77 11.659,78 143.11,79 14.216,80 0.975,81 1.64,82 34.15,83 11.687,84 149.365,85 14.314,86 0.754,87 1.641,88 33.159,89 12.468,90 127.08,91 15.891,92 0.692,93 1.613,94 36.516,95 12.548,96 110.361,97 16.407,98 0.785,99 1.32,100 31.269,101 10.561,102 117.905,103 13.516,104 40,105 48,106 0.261,107 0.602,108 0.743,109 0.843,110 0.859,111 0.859,112 3.41,113 0.895,114 -3.2,115 -3.2,116 -3.07,120 43.1,121 2,123 2,126 1,128 1,131 1,143 9,144 1,145 2,159 3,174 9,176 3,177 7,182 6,185 10,189 8,192 2,194 4,197 8,200 1,201 12,204 3,206 3,209 9,213 4,214 12,219 1,222 10,226 2,227 12,231 1,232 3,235 9,240 12,245 3,247 9,252 5,255 2,257 2,260 12,264 2,267 3,271 10,274 1253,275 19.369,276 19.369,277 19.369,278 19.369,279 19.369,280 17.563,281 23.819,282 11.187,283 19.709,284 15.698,285 15.698,286 15.698,287 15.698,288 15.698,289 12.922,290 30.787,291 5.179,292 16.134,293 4.114,294 2.076,295 1.231,296 0.633,297 0.539,298 0.539,299 4.097,306 1,307 1,308 560,309 3.536,312 125.644,313 172.337,315 103.548,320 1.284,321 49.257,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 64,333 262,334 4.808,335 4.311,336 7.973,337 4.721,338 3.738,339 3.976,340 2.472,341 15.204,342 3.669,343 4.289,344 3.953,345 6.976,346 4.077,347 3.106,348 3.661,349 2.049,350 11.555,351 3.011,352 4.106,353 3.41,354 6.438,355 3.807,356 2.823,357 3.586,358 1.798,359 9.844,360 2.771,361 3.777,362 3.188,363 5.858,364 3.409,365 2.428,366 3.148,367 0.69,368 7.644,369 2.38,370 3.566,371 2.769,372 5.458,373 3.201,374 2.224,375 2.85,376 0.347,377 6.341,378 2.165,379 3.302,380 2.575,381 5.052,382 2.923,383 1.908,384 2.43,385 0.314,386 5.781,387 1.923,388 3.12,389 2.51,390 4.921,391 2.771,392 1.798,393 2.239,395 5.065,396 1.732,397 2.848,398 1.871,399 4.615,400 2.482,401 1.522,402 1.922,404 4.067,405 1.445,406 2.548,407 1.791,408 4.325,409 2.228,410 1.238,411 1.509,413 3.24,414 1.214,415 2.5,416 1.627,417 3.62,418 2,419 1,420 1.5,422 2.746,423 1,424 2.5,425 1.397,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.163,434 1,435 3.27,436 1.959,437 0.99,438 1.115,440 2.136,441 0.954,442 2.05,443 1,444 3.247,445 1.801,446 0.811,447 0.924,449 1.336,450 0.787,451 1.488,452 0.904,453 3.15,454 0.976,455 -0.09,456 -0.126,458 -0.22,459 -0.094,460 1.107,461 0.553,462 2.863,463 0.765,464 -0.18,465 -0.217,467 -0.406,468 -0.168,469 13.467,470 0.464,471 0.878,472 0.03,473 36.25,474 1.25,475 17.5,476 0.603,477 18.75,478 0.647,479 26.618,480 0.918,481 31.533,482 0.618,483 31.471,484 1.085,485 7.092,486 0.245,487 6.788,488 0.234,489 0.173,490 0.037,491 0.364,496 0.734,497 1.233,498 0.746,499 1.059,500 0.629,501 0.928,502 0.608,503 1.209,504 0.76,505 1.04,506 0.541,507 0.953,508 1.015,509 1.114,510 0.944,511 1.027,512 0.937,513 0.969,514 1.318,515 1.033,516 1.034,517 0.975,518 1.352,519 0.946,520 1.268,521 0.927,522 1.07,523 0.909,524 1.399,525 0.933,526 0.936,527 1.092,528 1.015,529 1.104,530 1.028,531 1.082,532 1.113,533 0.974,534 1.019,535 0.99,536 1.085,537 0.981,538 1.209,539 0.888,540 1.117,541 0.962,542 1.168,543 1.011,544 6,545 0.099,546 4.444,547 3.674,548 2.948,549 1.894,550 1.153,551 0.633,552 0.278,553 0.149,554 8802,555 25935,556 2.041,557 43.1,559 12,562 2,563 2,564 6,567 1.731,568 1.861,569 3.134,570 0.228,571 1,572 1,575 79.469,576 1.558,577 3.597,578 4.441,579 5.04,580 5.133,581 5.133,582 2.625,583 4.487,584 4.822,585 3.285,586 1333.51,587 8.468,588 16970.9,590 1,592 1,593 289.294,594 1.694,595 4.757,596 0.188,597 0.009,598 0.093,599 0.068,600 0.054,601 0.035,602 0.023,603 0.015,604 0.008,605 0.007,606 0.499,607 0.33,608 1,609 1.14,610 142.215,611 -0.065,612 -0.071,613 0.03,614 0.008,615 -0.067,616 0.035,617 0.135,618 -0.092,619 0.086,620 -0.014,621 0.046,622 0.011,623 -0.066,624 -0.042,625 -0.013,626 -0.055,627 -0.066,628 -0.025,629 -0.085,630 -0.019,631 -0.041,632 -0.02,633 -0.061,634 -0.023,635 -0.061,636 0.092,637 -0.082,638 0.05,639 -0.049,640 -0.006,641 0.034,642 -0.095,643 -0.06,644 -0.112,645 0.05,646 -0.108,647 -0.12,648 -0.025,649 -0.008,650 -0.022,651 -0.078,652 0.009,653 -0.082,654 0.041,655 -0.087,656 0.003,657 -0.056,658 -0.034,659 2.598,660 6.38,661 0.69,662 25.952,663 1.013,664 1.121,665 1.974,666 3.897,667 0.665,668 3.497,669 3.892,670 4.263,671 4.625,672 4.92,673 5.118,674 5.313,675 5.455,676 5.525,677 5.517,678 5.54,679 0.645,680 394.46,681 3.497,682 5.081,683 5.984,684 6.923,685 7.859,686 8.814,687 9.767,688 10.731,689 11.693,690 12.663,691 3.9,693 1,698 1,709 9,714 3,716 12,734 1,738 51,739 15,740 2,741 32,743 54,744 22,745 12,746 3,747 9,752 4,753 5,759 2,763 1,764 3,766 1,768 15,769 7,770 3,772 3,778 3,782 3,786 1,789 22,790 7,791 2,792 7,797 2,800 1,803 0.75,804 5,819 1,822 2,823 2,825 1,841 1,849 1,855 3,859 2,862 29,868 1,869 1,871 1,872 1,874 3,875 1,876 1,886 9.8,888 1,889 3,891 1,893 15.583,894 9.567,895 6.347,896 3.131,898 1.811,899 1.234,900 0.928,901 4.93,902 9.552,903 3.738,904 4.29,905 4.812,906 5.328,907 5.798,908 5.944,909 6.284,910 6.636,911 6.88,912 7.111,913 1,914 54,915 10.944,917 5.061,918 8.043,919 20.151,921 17.278,924 2.543,925 73.75,929 235.422,930 130.072,931 21.135,933 129.118,936 130.072,937 364.54,938 21.135,939 17.65,940 7.717,941 103.297,942 134.719,943 16.942,945 235.422,947 235.422,948 151.207,949 129.118,952 164.795,953 199.745,956 43.378,957 107.829,960 235.422,961 150.253,962 130.072,965 235.422,966 27.135,967 106.061,968 18.011,969 129.118,970 235.422,971 150.253,972 130.072,973 0.591,974 0.365,975 0.209,976 0.123,977 25,978 12,979 0.093,980 5,981 1,982 1.1,983 3.744,984 281.169,985 0.1,986 20,987 132.881,993 19.62,994 7.287,995 3.036,997 150.253,998 15.106,1003 1.283,1005 60.694,1006 515.747,1007 41,1013 39.58,1017 -1.34,1020 51.676,1021 57.196,1022 0.275,1023 0.634,1024 0.783,1025 0.888,1026 0.905,1027 0.905,1028 5.03,1029 1.522,1030 6.033,1031 5.065,1032 4.575,1033 4.977,1034 3.213,1035 7.002,1036 4.53,1037 6.249,1038 1.238,1039 7.698,1040 4.067,1041 4.443,1042 4.832,1043 2.87,1044 8.392,1045 4.381,1046 7.587,1047 1,1048 9.481,1049 3.24,1050 6.344,1051 7.061,1052 4.456,1053 11.582,1054 6.256,1055 8.962,1056 1,1057 11.339,1058 2.746,1059 7.066,1060 7.673,1061 4.777,1062 13.835,1063 6.959,1064 10.374,1065 0.99,1066 13.246,1067 2.275,1068 8.515,1069 9.432,1070 5.949,1071 16.649,1072 8.387,1073 11.813,1074 0.811,1075 15.188,1076 2.136,1077 9.586,1078 10.376,1079 6.556,1080 19.202,1081 9.44,1082 13.273,1083 -0.09,1084 17.157,1085 1.336,1086 10.906,1087 11.944,1088 7.567,1089 21.929,1090 10.741,1091 3.738,1092 -0.18,1093 19.145,1094 -0.22,1095 12.116,1096 13.056,1097 8.315,1098 24.585,1099 11.932,1100 3.106,1101 15.204,1102 21.149,1103 -0.406,1104 13.409,1105 14.53,1106 9.259,1107 27.296,1108 13.207,1109 2.823,1110 11.555,1111 23.166,1112 3.976,1113 14.673,1114 15.736,1115 10.078,1116 29.99,1117 14.454,1118 2.428,1119 9.844,1120 25.193,1121 3.661,1122 15.967,1123 17.16,1124 10.994,1125 32.702,1126 15.73,1127 2.224,1128 7.644,1129 27.227,1130 3.586,1131 17.255,1132 18.423,1133 11.852,1134 35.41,1135 17.001,1136 1.908,1137 6.341,1138 29.269,1139 3.148,1140 18.555,1141 19.819,1142 12.757,1143 38.125,1144 18.283,1145 1.798,1146 5.781,1147 31.315,1148 2.85,1149 19.855,1150 21.118,1151 13.635,1152 40.84,1153 19.566,1154 8620,1155 14875,1156 20.69,1157 33.898,1158 50.253,1159 52.124,1160 52.637,1161 49.163,1162 49.173,1163 60.718,1164 15.341,1165 154.466,1166 48.102,1167 5.808,1168 6.311,1169 7.775,1170 5.777,1171 5.738,1172 6.976,1173 4.213,1174 23.811,1175 5.669,1176 16.364,1177 1.57,1178 1.629,1179 1.645,1180 1.536,1181 1.537,1182 1.897,1183 0.479,1184 4.827,1185 1.503,1186 4.087,1187 4.116,1188 4.04,1189 3.973,1190 7.446,1191 3.983,1192 3.888,1193 3.917,1194 3.828,1195 3.818,1196 7.43,1197 3.815,1198 3.801,1199 3.827,1200 3.734,1201 3.705,1202 7.408,1203 3.709,1204 3.566,1205 3.601,1206 3.483,1207 3.33,1208 6.471,1209 3.354,1210 3.379,1211 3.441,1212 3.226,1213 3.176,1214 4.754,1215 3.175,1216 3.184,1217 3.224,1218 3.091,1219 3,1220 4.645,1221 3.018,1222 2.926,1223 2.972,1224 2.861,1225 2.735,1226 4.477,1227 2.715,1228 2.884,1229 2.925,1230 2.747,1231 2.735,1232 4.258,1233 2.715,1234 0.15,1235 0.135,1236 0.249,1237 0.148,1238 0.117,1239 4.808,1240 0.124,1241 4.311,1242 0.077,1243 7.973,1244 0.475,1245 4.721,1246 0.115,1247 3.738,1248 3.976,1249 2.472,1250 15.204,1251 3.669,1252 1.915,1253 1.891,1254 2.021,1255 2.014,1256 1.28,1257 2.016,1258 1.887,1259 1.858,1260 2.005,1261 1.982,1262 1.146,1263 1.99,1264 1.709,1265 1.684,1266 1.869,1267 1.89,1268 1.068,1269 1.879,1270 1.496,1271 1.459,1272 1.782,1273 1.702,1274 0.936,1275 1.729,1276 1.446,1277 1.377,1278 1.641,1279 1.665,1280 0.852,1281 1.656,1282 1.222,1283 1.19,1284 1.358,1285 1.499,1286 0.457,1287 1.45,1288 0.94,1289 0.891,1290 1.219,1291 1.217,1292 0.309,1293 1.233,1294 0.886,1295 0.821,1296 1.181,1297 1.167,1298 0.218,1299 1.112,1300 4.174,1302 5.549,1303 3.045,1304 7.133,1305 5.638,1306 8.817,1307 7.941,1308 10.559,1310 3.311,1314 9.609,1315 0.169,1317 3.198,1318 5.241,1320 -2.227,1321 1.168,1322 -1.348,1326 32.885,1327 79.469,1328 183.426,1329 226.5,1330 257.029,1331 261.784,1332 261.784,1333 80.595,1334 7.741,1335 95.94,1336 95.94,1337 22,1338 13.142,1339 4,1340 3.322,1341 44.147,1342 95,1343 109,1344 0.237,1345 199.452,1346 360.11,1347 478.422,1348 20403,1350 20.759,1351 0.716,1352 0.557,1353 20.759,1354 16.163,1355 13.88,1356 0.434,1357 0.298,1358 9.418,1359 13.326,1360 9.192,1361 7.56,1362 13.88,1363 9.549,1364 12.88,1365 0.268,1366 0.156,1367 12.88,1368 7.487,1369 11.442,1370 0.163,1371 0.082,1372 11.442,1373 5.754,1374 9.994,1375 0.099,1376 0.044,1377 9.994,1378 4.407,1379 8.261,1380 0.061,1381 0.023,1382 8.261,1383 3.196,1384 0.352,1385 87.379,1386 0.22,1387 26.557,1388 0.72,1389 160,1390 497.07,1391 177.867,1392 469.725,1393 630.21,1394 436,1395 198,1396 455.591,1397 216.399,1398 455.405,1399 678.84,1400 430,1401 4.028}
{0 CHEMBL1490677,1 1.531,2 6.35,3 3.193,4 10.197,5 76.446,6 8.259,7 0.545,8 3.582,9 3.682,10 3.247,11 3.193,12 4.801,13 3.186,14 4.042,15 4.166,16 3.596,17 3.522,18 5.288,19 3.509,20 4.287,21 4.475,22 3.633,23 3.558,24 5.499,25 3.541,26 4.23,27 4.408,28 3.625,29 3.583,30 5.553,31 3.57,32 4.286,33 4.424,34 3.752,35 3.762,36 5.624,37 3.738,38 4.465,39 4.625,40 3.592,41 3.763,42 5.814,43 3.688,44 4.282,45 4.525,46 2.91,47 3.34,48 5.445,49 3.176,50 3.591,51 3.922,52 1.363,53 2.407,54 4.394,55 2.089,56 0.042,57 0.442,58 4.955,59 2.66,60 3.806,61 3.122,62 0.13,63 0.705,64 8.599,65 4.074,66 5.533,67 4.927,68 0.278,69 0.896,70 14.221,71 5.178,72 24.623,73 6.323,74 0.309,75 0.837,76 13.29,77 4.844,78 49.698,79 5.686,80 0.119,81 0.841,82 12.16,83 5.72,84 12.488,85 6.661,86 0.256,87 0.931,88 16.625,89 7.447,90 49.538,91 8.392,92 0.274,93 0.76,94 17.313,95 6.817,96 55.441,97 8.557,98 0.166,99 0.379,100 10.499,101 3.686,102 32.634,103 5.174,104 5,105 30,106 0.282,107 0.425,108 0.537,109 0.625,110 0.657,111 0.657,112 3.06,113 0.85,114 -4.68,115 -4.59,116 -4.32,120 50,136 2,143 10,145 2,159 2,167 1,174 9,176 2,177 8,185 8,188 2,189 12,197 4,200 1,201 6,209 4,214 10,222 16,227 8,235 16,240 4,247 8,260 1,274 532,275 13.742,276 13.742,277 13.742,278 13.742,279 13.742,280 11.923,281 15.83,282 8.333,283 13.827,284 10.872,285 10.872,286 10.872,287 10.872,288 10.872,289 8.141,290 25.796,291 3.952,292 10.999,293 3.469,294 2.695,295 2.085,296 1.61,297 1.438,298 1.438,299 3.738,305 1,306 1,307 1,308 271,309 2.345,312 55.057,313 127.83,320 0.85,321 19.798,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43,333 127,334 4.454,335 3.873,336 7.003,337 4.228,338 3.265,339 3.828,340 1.2,341 11.93,342 3.139,343 4.012,344 3.205,345 6.029,346 3.644,347 2.659,348 3.424,349 0.8,350 8.442,351 2.609,352 3.736,353 3.118,354 5.247,355 3.269,356 2.278,357 3.298,358 0.4,359 6.4,360 2.256,361 3.214,362 2.323,363 4.732,364 2.795,365 1.732,366 2.334,368 4.726,369 1.822,370 3.116,371 1.812,372 4.323,373 2.682,374 1.687,375 2.303,377 3.926,378 1.676,379 2.781,380 1.352,381 3.733,382 2.31,383 1.317,384 1.908,386 2.88,387 1.306,388 2.61,389 1.34,390 3.555,391 2.099,392 1.111,393 1.5,395 2.793,396 1.097,397 2.5,398 1.069,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.498,413 2.136,414 1,415 1.984,416 1,417 3.209,418 1.395,419 0.38,420 0.55,422 0.965,423 0.381,424 1.153,425 0.314,426 2.344,427 0.7,428 -0.36,429 -0.542,431 -0.848,432 -0.379,433 0.719,434 -0.046,435 2.198,436 0.277,437 -0.705,438 -0.952,440 -1.547,441 -0.69,442 0.5,443 -0.613,444 2,445 0.099,446 -1,447 -1.303,449 -2.347,450 -1,451 0.5,452 -0.972,453 1.619,455 -1,456 -1.5,458 -2.347,459 -1,460 0.461,461 -1,462 1.555,464 -1,465 -1.5,467 -2.414,468 -1.08,469 9.467,470 0.473,471 0.401,472 0.02,473 29.5,474 1.475,475 17,476 0.85,477 12.5,478 0.625,479 11.132,480 0.557,481 19.933,482 0.623,483 20.773,484 1.039,485 6.203,486 0.31,487 3.568,488 0.178,489 0.07,491 0.296,496 0.536,497 1.094,498 0.656,499 0.941,500 0.514,501 0.844,502 0.574,503 1.447,504 0.822,505 1.158,506 0.563,507 1.059,508 1.034,509 1.157,510 0.914,511 0.922,512 0.92,513 0.886,514 1.101,515 0.822,516 0.898,517 0.684,518 0.8,519 0.711,520 0.93,521 0.899,522 0.862,523 0.97,524 0.792,525 0.905,526 1.387,527 1.021,528 1.301,529 1.233,530 1.566,531 1.264,532 1.233,533 0.946,534 1.285,535 1.16,536 1.462,537 1.24,538 0.895,539 0.735,540 1.14,541 0.924,542 1.079,543 1.066,544 2.5,546 2,547 1.722,548 1.092,549 0.57,550 0.304,551 0.189,554 3291,555 9674,556 2.107,557 37.5,559 12,567 1.63,568 2,569 2.646,570 -0.787,572 1,574 1,575 48.98,576 1.531,577 2.305,578 2.915,579 3.39,580 3.563,581 3.563,582 2.009,583 3.022,584 4.296,585 2.781,586 528.429,587 7.4,588 5446.66,589 1,590 1,591 1,592 1,593 160,594 1.295,595 4.266,596 0.114,598 0.067,599 0.057,600 0.035,601 0.016,602 0.011,603 0.016,606 0.315,607 0.67,608 1,609 0.548,610 85.601,611 0.063,612 -0.044,613 0.056,614 -0.043,615 -0.054,616 -0.012,617 0.181,618 -0.379,619 -0.037,620 -0.276,621 0.016,622 -0.225,623 0.035,624 -0.072,625 0.058,626 -0.018,627 -0.02,628 0.015,629 -0.026,630 0.265,631 0.046,632 0.226,633 0.142,634 0.181,635 -0.078,636 0.082,637 -0.023,638 -0.024,639 0.069,640 -0.003,641 -0.212,642 -0.143,643 -0.348,644 -0.24,645 -0.185,646 -0.305,647 -0.13,648 -0.114,649 -0.153,650 -0.104,651 -0.17,652 -0.134,653 -0.013,654 0.076,655 0.162,656 0.195,657 -0.097,658 0.2,659 2.011,660 4.949,661 0.85,662 11.8,663 1.009,664 1.109,665 3.447,666 11.879,667 0.71,668 3.135,669 3.434,670 3.738,671 4.043,672 4.22,673 4.143,674 4.234,675 4.234,676 4.043,677 3.611,678 4.272,679 0.691,680 264.3,681 3.135,682 4.654,683 5.509,684 6.392,685 7.273,686 8.167,687 9.057,688 9.954,689 10.849,690 11.747,691 6.3,698 1,699 1,709 10,714 2,716 12,738 32,739 15,740 2,741 22,743 34,744 16,745 12,746 2,747 10,748 4,752 3,753 3,768 16,772 3,778 2,780 2,782 2,785 1,786 1,789 12,790 4,792 4,797 2,801 1,803 1,804 2,822 1,823 2,845 2,855 3,862 20,875 2,886 6.3,889 2,893 10,894 5.733,895 4.472,896 1.823,898 1.993,899 1.315,900 1.002,901 3.255,902 8.327,903 3.466,904 3.989,905 4.527,906 5.045,907 5.547,908 5.536,909 5.942,910 6.308,911 6.498,912 6.428,913 1,914 30,915 7.376,917 3.16,918 7.933,919 13.754,921 11.063,924 2.433,925 48.667,929 141.253,930 128.638,931 6.004,933 50.29,936 128.638,937 191.543,938 6.004,940 3.002,941 113.715,942 59.699,943 8.515,945 141.253,947 141.253,948 134.641,949 50.29,952 141.253,953 50.29,956 6.004,957 109.685,958 18.952,960 141.253,961 56.293,962 128.638,965 141.253,966 14.923,967 119.719,969 50.29,970 141.253,971 56.293,972 128.638,973 0.57,974 0.343,975 0.205,976 0.115,977 15,978 6,979 0.088,980 3,982 1,983 3.162,984 155.863,986 17,987 60.439,993 12.486,994 5.214,995 2.335,997 56.293,998 18.646,1003 1.508,1006 326.184,1007 31,1013 23.899,1015 2.558,1017 -0.689,1020 32.276,1021 35.491,1022 0.306,1023 0.461,1024 0.583,1025 0.678,1026 0.713,1027 0.713,1028 4.673,1029 1,1030 5.476,1031 2.793,1032 4.111,1033 4.673,1034 1.701,1035 6.308,1036 4.084,1037 5.854,1038 1,1039 7.04,1040 2.136,1041 3.611,1042 4.159,1044 7.306,1045 3.54,1046 7.133,1047 0.38,1048 8.718,1049 2.136,1050 5.694,1051 6.73,1052 1.795,1053 10.489,1054 5.606,1055 8.449,1056 -0.36,1057 10.469,1058 0.965,1059 6.111,1060 7.03,1062 12.42,1063 5.956,1064 9.801,1065 -0.705,1066 12.27,1067 -0.848,1068 7.627,1069 9.041,1070 2.015,1071 15.115,1072 7.457,1073 11.178,1074 -1,1075 14.105,1076 -1.547,1077 8.468,1078 9.746,1080 17.391,1081 8.229,1082 12.575,1083 -1,1084 15.965,1085 -2.347,1086 9.762,1087 11.481,1088 2.296,1089 19.935,1090 9.5,1091 3.265,1092 -1,1093 17.843,1094 -2.347,1095 10.793,1096 12.414,1098 22.338,1099 10.47,1100 2.659,1101 11.93,1102 19.735,1103 -2.414,1104 12.005,1105 13.991,1106 2.61,1107 24.835,1108 11.651,1109 2.278,1110 8.442,1111 21.637,1112 3.828,1113 13.119,1114 15.063,1116 27.285,1117 12.712,1118 1.732,1119 6.4,1120 23.547,1121 3.424,1122 14.303,1123 16.547,1124 2.943,1125 29.769,1126 13.86,1127 1.687,1128 4.726,1129 25.464,1130 3.298,1131 15.453,1132 17.708,1134 32.236,1135 14.962,1136 1.317,1137 3.926,1138 27.385,1139 2.334,1140 16.631,1141 19.133,1142 3.287,1143 34.716,1144 16.101,1145 1.111,1146 2.88,1147 29.311,1148 2.303,1149 17.797,1150 20.353,1152 37.19,1153 17.222,1154 3241,1155 5668,1156 14.909,1157 22.727,1158 33.632,1159 34.411,1160 34.103,1161 32.843,1162 32.859,1163 44.287,1164 4.8,1165 92.666,1166 32.571,1167 5.342,1168 5.873,1169 6.805,1170 5.235,1171 5.265,1172 6.828,1173 2.4,1174 19.207,1175 5.139,1176 7.258,1177 1.529,1178 1.564,1179 1.55,1180 1.493,1181 1.494,1182 2.013,1183 0.218,1184 4.212,1185 1.48,1186 4,1187 4.036,1188 3.955,1189 3.895,1190 7.448,1191 3.9,1192 3.808,1193 3.841,1194 3.733,1195 3.753,1196 7.408,1197 3.743,1198 3.781,1199 3.803,1200 3.729,1201 3.63,1202 4.82,1203 3.654,1204 3.067,1205 3.132,1206 2.984,1207 2.904,1208 4.688,1209 2.915,1210 2.864,1211 2.925,1212 2.854,1213 2.735,1214 4.243,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.877,1221 2.715,1222 2.854,1223 2.821,1224 2.687,1225 2.594,1226 3.674,1227 2.607,1228 2.694,1229 2.758,1230 2.554,1231 2.525,1232 3.674,1233 2.577,1234 0.202,1235 0.176,1236 0.318,1237 0.192,1238 0.148,1239 4.454,1240 0.174,1241 3.873,1242 0.055,1243 7.003,1244 0.542,1245 4.228,1246 0.143,1247 3.265,1248 3.828,1249 1.2,1250 11.93,1251 3.139,1252 1.934,1253 1.903,1254 2.044,1255 2.044,1256 1.123,1257 2.043,1258 1.824,1259 1.794,1260 1.961,1261 1.905,1262 1.01,1263 1.926,1264 1.5,1265 1.478,1266 1.645,1267 1.649,1268 0.645,1269 1.644,1270 1.288,1271 1.258,1272 1.343,1273 1.598,1274 0.394,1275 1.523,1276 0.913,1277 0.875,1278 1.181,1279 1.112,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.081,1291 1.062,1292 0.091,1293 1.106,1294 0.723,1295 0.665,1296 1.003,1297 0.887,1298 0.071,1299 0.93,1300 3.807,1302 5.106,1303 2.398,1304 6.616,1305 4.727,1306 8.221,1307 6.783,1308 9.878,1321 2.745,1326 22.106,1327 48.98,1328 73.761,1329 93.271,1330 108.49,1331 114,1332 114,1333 30.559,1334 6.333,1335 42.31,1336 42.31,1337 17,1338 12.271,1339 4,1340 3.322,1341 29.477,1342 47,1343 50,1344 0.296,1345 137.302,1346 242.3,1347 326.777,1348 3428,1350 13.949,1351 0.697,1352 0.532,1353 13.949,1354 10.639,1355 9.771,1356 0.444,1357 0.283,1358 6.164,1359 9.463,1360 6.057,1361 5.04,1362 9.771,1363 6.235,1364 8.483,1365 0.283,1366 0.143,1367 8.483,1368 4.305,1369 7.224,1370 0.176,1371 0.073,1372 7.224,1373 2.988,1374 6.282,1375 0.112,1376 0.038,1377 6.282,1378 2.108,1379 5.049,1380 0.075,1381 0.02,1382 5.049,1383 1.355,1384 0.432,1385 60.78,1386 0.259,1387 19.232,1388 0.927,1389 104,1390 324.761,1391 114.59,1392 315.408,1393 431.54,1394 294,1395 123,1396 322.552,1397 134.563,1398 323.303,1399 475.36,1400 306,1401 5.306}
{0 CHEMBL1491402,1 1.842,2 11.4,3 2.063,4 4.255,5 105.728,6 8.941,7 0.407,8 3.851,9 3.963,10 3.655,11 3.456,12 5.042,13 3.399,14 4.346,15 4.511,16 4.1,17 3.821,18 5.495,19 3.753,20 4.482,21 4.645,22 3.944,23 3.89,24 5.651,25 3.791,26 4.606,27 4.808,28 3.824,29 3.879,30 5.804,31 3.739,32 4.495,33 4.699,34 3.807,35 3.792,36 5.623,37 3.648,38 4.358,39 4.556,40 3.993,41 3.662,42 5.659,43 3.56,44 4.158,45 4.316,46 3.709,47 3.456,48 5.55,49 3.413,50 4.088,51 4.282,52 3.544,53 3.408,54 5.385,55 3.288,56 0.093,57 0.691,58 7.225,59 3.883,60 10.791,61 4.291,62 0.345,63 1.095,64 17.871,65 6.188,66 17.265,67 7.239,68 0.262,69 1.151,70 21.989,71 8.489,72 24.525,73 9.206,74 0.497,75 1.202,76 26.273,77 9.473,78 76.025,79 10.765,80 0.357,81 1.086,82 24.98,83 9.116,84 49.334,85 9.985,86 0.42,87 0.971,88 25.841,89 7.899,90 45.101,91 8.048,92 0.334,93 0.785,94 13.582,95 4.934,96 42.918,97 5.447,98 0.321,99 0.739,100 14.715,101 5.503,102 45.56,103 6.476,104 27,105 38,106 0.322,107 0.69,108 0.796,109 0.812,110 0.812,111 0.812,112 3.266,113 1.02,114 -3.25,115 -3.23,116 -3.1,120 38.1,122 1,125 2,126 1,136 1,139 1,143 4,144 1,145 1,159 1,160 1,162 1,163 1,164 1,165 1,166 1,167 1,174 5,176 2,177 8,179 1,180 1,182 1,185 8,187 1,189 6,191 1,192 1,197 5,200 2,201 7,206 1,209 3,211 1,213 1,214 6,222 3,226 2,227 9,229 1,230 1,235 2,239 2,240 5,247 3,251 2,252 2,254 2,255 2,257 1,260 3,262 1,263 1,264 3,269 1,271 2,273 1,274 953,275 16.447,276 16.447,277 16.447,278 16.447,279 16.447,280 14.697,281 19.273,282 9.521,283 17.149,284 13.279,285 13.279,286 13.279,287 13.279,288 13.279,289 10.482,290 21.511,291 4.515,292 14.393,293 3.55,294 1.448,295 0.845,296 0.75,297 0.75,298 0.75,299 3.941,305 1,306 1,307 1,308 603,309 3.162,312 155.239,313 89.72,320 2.016,321 27.518,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.88,332 54.5,333 285,334 4.404,335 4.845,336 6.648,337 4.083,338 3.149,339 3.826,340 4.341,341 10.559,342 2.933,343 4.105,344 3.599,345 5.931,346 3.743,347 2.781,348 3.708,349 1.191,350 8.241,351 2.678,352 4.079,353 3.285,354 5.581,355 3.552,356 2.691,357 3.582,358 0.8,359 7.587,360 2.335,361 3.7,362 2.979,363 5.523,364 3.362,365 2.397,366 2.971,367 0.54,368 7.27,369 2.279,370 3.348,371 2.849,372 5.148,373 2.938,374 1.978,375 2.511,377 5.937,378 1.882,379 3.161,380 2.383,381 4.675,382 2.768,383 1.849,384 2.327,386 5.029,387 1.665,388 2.944,389 2.157,390 4.601,391 2.485,392 1.585,393 1.952,395 4.515,396 1.39,397 2.5,398 1.8,399 3.79,400 2.188,401 1.243,402 1.5,404 2.946,405 1.166,406 2.446,407 1.553,408 3.421,409 2,410 1,411 1.437,413 2.275,414 1,415 2.252,416 1.411,417 3.414,418 1.811,419 0.844,420 1.126,422 2,423 0.804,424 2.123,425 1,426 3.265,427 1.574,428 0.661,429 0.903,431 1.62,432 0.585,433 1.34,434 0.818,435 2.935,436 1.029,437 0.083,438 0.102,440 0.22,441 0.078,442 1.243,443 0.499,444 2.45,445 0.805,446 -0.197,447 -0.254,449 -0.47,450 -0.19,451 0.838,452 0.343,453 2.286,454 0.328,455 -0.632,456 -0.84,458 -1.555,459 -0.592,460 0.5,461 -0.251,462 2,463 0.137,464 -0.75,465 -0.898,467 -1.755,468 -0.666,469 12.333,470 0.493,471 0.736,472 0.029,473 31.75,474 1.27,475 15.5,476 0.62,477 16.25,478 0.65,479 20.499,480 0.82,481 26.667,482 0.635,483 22.491,484 0.9,485 6.197,486 0.248,487 5.739,488 0.23,489 0.168,491 0.349,496 0.711,497 1.188,498 0.709,499 0.857,500 0.619,501 0.859,502 0.623,503 0.995,504 0.708,505 0.856,506 0.53,507 0.727,508 0.886,509 1.108,510 1.103,511 1.219,512 0.837,513 1.141,514 1.011,515 0.934,516 1.057,517 1.043,518 1.051,519 1.135,520 1.084,521 0.977,522 1.068,523 1.049,524 1.218,525 1.042,526 0.972,527 0.896,528 0.773,529 0.914,530 1.133,531 0.753,532 1.399,533 1.082,534 0.751,535 0.874,536 1.644,537 0.901,538 0.675,539 0.954,540 0.832,541 0.94,542 0.863,543 0.985,544 6,545 0.069,546 3.111,547 2.333,548 1.037,549 0.903,550 0.568,551 0.374,552 0.27,553 0.175,554 7475,555 23916,556 2.015,557 40.5,559 13,562 2,563 2,567 1.676,568 1.852,569 3.453,570 0.391,571 1,572 1,575 77.381,576 1.842,577 3.944,578 4.547,579 4.642,580 4.642,581 4.642,582 2.992,583 4.324,584 4.611,585 3.651,586 1095.2,587 7.957,588 13639,589 1,590 1,592 1,593 226.477,594 1.516,595 4.555,596 0.222,597 0.005,598 0.082,599 0.067,600 0.036,601 0.032,602 0.019,603 0.014,604 0.013,605 0.01,606 0.499,607 0.33,608 1,609 0.836,610 122.453,611 -0.032,612 -0.054,613 0.057,614 0.052,615 -0.068,616 0.022,617 0.188,618 0.1,619 0.242,620 0.129,621 0.078,622 0.205,623 -0.053,624 -0.091,625 -0.16,626 -0.215,627 -0.021,628 -0.174,629 -0.018,630 -0.012,631 -0.131,632 -0.086,633 0.012,634 -0.143,635 -0.092,636 -0.052,637 -0.04,638 -0.016,639 -0.12,640 -0.022,641 0.196,642 0.077,643 0.347,644 0.157,645 0.134,646 0.244,647 -0.014,648 -0.116,649 0.075,650 -0.007,651 -0.04,652 -0.014,653 0.308,654 -0.005,655 0.111,656 0.026,657 0.207,659 1.941,660 5.472,661 0.64,662 25.034,663 1.015,664 1.125,665 2.015,666 4.062,667 0.71,668 3.332,669 3.664,670 3.892,671 4.094,672 4.174,673 4.205,674 4.304,675 4.431,676 4.522,677 4.522,678 6.686,679 0.668,680 375.52,681 3.332,682 4.875,683 5.714,684 6.583,685 7.438,686 8.309,687 9.17,688 10.043,689 10.909,690 11.783,691 11.9,695 1,697 1,698 1,701 2,709 4,710 2,713 1,714 4,716 11,728 1,732 1,738 42,739 14,740 1,741 27,743 44,744 16,745 8,746 2,747 4,748 3,752 3,753 3,766 1,768 12,769 4,772 3,778 2,780 1,782 3,785 1,786 1,789 17,790 7,791 2,792 9,793 2,797 5,800 1,803 1,804 2,822 2,823 1,845 2,852 1,855 3,857 2,859 2,862 25,863 1,869 2,873 1,875 2,886 4.8,889 2,893 13.5,894 8.217,895 5.444,896 2.283,898 2.361,899 1.338,900 0.977,901 5.519,902 9.338,903 3.597,904 4.155,905 4.655,906 5.127,907 5.437,908 5.596,909 5.934,910 6.252,911 6.554,912 6.634,913 0.875,914 35,915 9.239,917 3.918,918 7.913,919 17.307,921 13.895,924 2.413,925 60.333,929 176.567,930 149.009,931 72.472,933 50.29,935 63.497,936 85.512,937 226.856,938 72.472,939 16.793,940 7.765,941 80.278,942 90.801,943 9.567,944 3.07,945 240.064,947 176.567,948 157.984,949 50.29,950 63.497,952 176.567,953 50.29,956 9.195,957 104.436,958 44.353,959 63.497,960 176.567,961 122.762,962 149.009,965 176.567,966 84.835,967 70.423,969 116.513,970 176.567,971 122.762,972 149.009,973 0.591,974 0.339,975 0.169,976 0.082,977 18,978 9,979 0.114,980 5,982 1,983 3.744,984 197.361,986 16,987 110.096,989 2,993 18.05,994 7.644,995 4.264,997 122.762,998 7.784,999 7.633,1002 1.261,1003 3.041,1005 32.897,1006 448.338,1007 35.5,1013 24.591,1015 1.743,1017 -0.109,1020 42.618,1021 47.242,1022 0.342,1023 0.731,1024 0.843,1025 0.861,1026 0.861,1027 0.861,1028 4.842,1029 1.243,1030 5.714,1031 4.515,1032 4.344,1033 4.84,1034 3.706,1035 6.506,1036 4.198,1037 6.048,1038 1,1039 7.272,1040 2.946,1041 4.007,1042 4.635,1043 2.932,1044 7.368,1045 3.774,1046 7.349,1047 0.844,1048 8.924,1049 2.275,1050 5.932,1051 6.942,1052 6.424,1053 10.423,1054 5.648,1055 8.682,1056 0.661,1057 10.63,1058 2,1059 6.382,1060 7.505,1061 6.254,1062 12.106,1063 6.003,1064 10.043,1065 0.083,1066 12.37,1067 1.62,1068 7.803,1069 9.3,1070 9.286,1071 14.684,1072 7.385,1073 11.424,1074 -0.197,1075 14.134,1076 0.22,1077 8.605,1078 10.215,1079 9.45,1080 16.73,1081 8.095,1082 12.819,1083 -0.632,1084 15.917,1085 -0.47,1086 9.832,1087 11.784,1088 12.162,1089 19.148,1090 9.28,1091 3.149,1092 -0.75,1093 17.715,1094 -1.555,1095 10.801,1096 12.879,1097 12.564,1098 21.361,1099 10.161,1100 2.781,1101 10.559,1102 19.525,1103 -1.755,1104 11.953,1105 14.336,1106 15.045,1107 23.729,1108 11.265,1109 2.691,1110 8.241,1111 21.346,1112 3.826,1113 13,1114 15.527,1115 15.63,1116 26.018,1117 12.231,1118 2.397,1119 7.587,1120 23.177,1121 3.708,1122 14.127,1123 16.926,1124 17.934,1125 28.371,1126 13.302,1127 1.978,1128 7.27,1129 25.015,1130 3.582,1131 15.213,1132 18.171,1133 18.664,1134 30.695,1135 14.313,1136 1.849,1137 5.937,1138 26.86,1139 2.971,1140 16.334,1141 19.537,1142 20.828,1143 33.046,1144 15.372,1145 1.585,1146 5.029,1147 28.712,1148 2.511,1149 17.44,1150 20.813,1151 21.676,1152 35.386,1153 16.406,1154 7320,1155 13326,1156 17.512,1157 29.801,1158 41.249,1159 44.749,1160 42.309,1161 40.579,1162 40.521,1163 51.889,1164 13.743,1165 116.394,1166 37.59,1167 5.353,1168 6.845,1169 6.062,1170 5.218,1171 5.149,1172 6.826,1173 8.339,1174 17.516,1175 4.933,1176 14.487,1177 1.528,1178 1.657,1179 1.567,1180 1.503,1181 1.501,1182 1.922,1183 0.509,1184 4.311,1185 1.392,1186 3.976,1187 4.004,1188 4.219,1189 3.915,1190 7.445,1191 3.903,1192 3.843,1193 3.882,1194 4.081,1195 3.776,1196 7.409,1197 3.718,1198 3.718,1199 3.741,1200 3.829,1201 3.63,1202 5.216,1203 3.591,1204 3.454,1205 3.539,1206 3.321,1207 3.243,1208 4.769,1209 3.246,1210 3.264,1211 3.333,1212 3.215,1213 3.11,1214 4.66,1215 3.083,1216 3.004,1217 3.045,1218 3.016,1219 2.816,1220 4.264,1221 2.816,1222 2.874,1223 3.009,1224 2.811,1225 2.735,1226 4.064,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.618,1232 3.852,1233 2.57,1234 0.163,1235 0.179,1236 0.246,1237 0.151,1238 0.117,1239 4.404,1240 0.142,1241 4.845,1242 0.161,1243 6.648,1244 0.391,1245 4.083,1246 0.109,1247 3.149,1248 3.826,1249 4.341,1250 10.559,1251 2.933,1252 1.929,1253 1.903,1254 2.032,1255 2.019,1256 1.149,1257 2.027,1258 1.642,1259 1.6,1260 1.813,1261 1.84,1262 1.129,1263 1.837,1264 1.501,1265 1.466,1266 1.735,1267 1.7,1268 0.822,1269 1.721,1270 1.322,1271 1.272,1272 1.445,1273 1.557,1274 0.591,1275 1.532,1276 1.267,1277 1.236,1278 1.417,1279 1.494,1280 0.469,1281 1.489,1282 1.153,1283 1.111,1284 1.351,1285 1.359,1286 0.429,1287 1.357,1288 0.934,1289 0.821,1290 1.181,1291 1.239,1292 0.218,1293 1.308,1294 0.886,1295 0.804,1296 1.176,1297 1.062,1298 0.151,1299 1.107,1300 4.007,1302 5.333,1303 3.045,1304 6.823,1305 5.416,1306 8.385,1307 7.476,1308 9.988,1310 3.928,1313 5.535,1315 0.73,1319 0.958,1321 3.236,1326 28.072,1327 77.381,1328 165.648,1329 190.968,1330 194.968,1331 194.968,1332 194.968,1333 50.928,1334 6.977,1335 94.11,1336 150.59,1337 16,1338 12.325,1339 3.907,1340 3.248,1341 41.97,1342 99,1343 95,1344 0.206,1345 182.874,1346 314.96,1347 437.973,1348 9536,1350 17.974,1351 0.719,1352 0.617,1353 18.681,1354 15.433,1355 11.936,1356 0.442,1357 0.34,1358 7.559,1359 10.516,1360 7.171,1361 5.98,1362 12.752,1363 9.177,1364 11.118,1365 0.293,1366 0.202,1367 12.575,1368 7.69,1369 9.006,1370 0.188,1371 0.111,1372 10.438,1373 5.332,1374 7.127,1375 0.121,1376 0.064,1377 8.618,1378 3.751,1379 5.023,1380 0.078,1381 0.036,1382 6.126,1383 2.29,1384 0.329,1385 83.411,1386 0.239,1387 24.657,1388 0.552,1389 130,1390 425.085,1391 198.03,1392 452.79,1393 608.79,1394 420,1395 151,1396 412.699,1397 206.398,1398 450.089,1399 654.39,1400 419,1401 5.186}
{0 CHEMBL1491705,1 1.559,2 10.81,3 3.506,4 12.29,5 84.345,6 7.32,7 0.273,8 3.8,9 3.912,10 3.384,11 3.386,12 4.856,13 3.312,14 4.356,15 4.521,16 3.671,17 3.785,18 5.458,19 3.653,20 4.667,21 4.897,22 3.756,23 3.872,24 5.624,25 3.729,26 4.633,27 4.904,28 3.476,29 3.806,30 5.454,31 3.625,32 4.537,33 4.78,34 3.459,35 3.679,36 5.57,37 3.528,38 4.387,39 4.637,40 3.38,41 3.522,42 5.629,43 3.342,44 4.135,45 4.39,46 3.052,47 3.284,48 5.041,49 3.124,50 3.992,51 4.224,52 3.096,53 3.162,54 5.088,55 3.063,56 0.029,57 0.572,58 9.749,59 4.531,60 8.148,61 5.625,62 0.201,63 0.953,64 20.838,65 8.313,66 40.303,67 10.288,68 0.351,69 1.175,70 28.949,71 9.492,72 52.553,73 12.67,74 0.143,75 1.117,76 26.307,77 9.911,78 32.189,79 13.497,80 0.252,81 0.977,82 23.33,83 8.369,84 52.597,85 11.008,86 0.457,87 0.857,88 22.162,89 7.563,90 84.523,91 9.896,92 0.17,93 0.684,94 17.076,95 5.567,96 27.882,97 7.326,98 0.1,99 0.579,100 13.025,101 4.575,102 23.073,103 6.099,104 16,105 28,106 0.279,107 0.581,108 0.71,109 0.797,110 0.821,111 0.821,112 3.101,113 1.159,114 -3.78,115 -3.74,116 -3.56,120 38.1,122 5,123 1,126 2,143 4,144 1,145 1,159 2,168 1,172 1,174 11,180 2,182 2,185 14,186 1,189 2,194 4,197 13,201 2,206 1,209 9,214 2,215 1,219 1,220 1,222 8,226 1,227 1,230 2,231 1,232 2,235 4,240 1,245 2,247 1,248 2,252 4,257 3,260 1,261 2,264 4,269 2,271 2,272 1,274 600,275 14.052,276 14.052,277 14.052,278 14.052,279 14.052,280 12.991,281 14.336,282 8.71,283 14.267,284 10.887,285 10.887,286 10.887,287 10.887,288 10.887,289 9.233,290 14.146,291 4.191,292 11.218,293 3.833,294 2.148,295 1.428,296 0.941,297 0.81,298 0.81,299 3.765,305 1,306 1,307 1,308 466,309 3.391,313 154.218,320 1.914,321 22.055,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 45.5,333 227,334 4.15,335 4.362,336 6.143,337 3.871,338 2.875,339 3.701,340 3.658,341 9.057,342 2.866,343 3.804,344 3.657,345 5.473,346 3.541,347 2.566,348 3.043,349 2.319,350 7.352,351 2.494,352 3.556,353 3.328,354 4.843,355 3.211,356 2.248,357 2.725,358 1.702,359 5.581,360 2.142,361 3.43,362 3.075,363 4.632,364 3.086,365 2.077,366 2.608,367 0.167,368 5.102,369 2.076,370 2.949,371 2.483,372 4.417,373 2.764,374 1.769,375 2.001,377 4.427,378 1.757,379 2.5,380 2.192,381 3.505,382 2.156,383 1.171,384 1.5,386 2.707,387 1.153,388 2.265,389 1.841,390 3.414,391 2,392 1,393 1.251,395 2.275,396 1,397 2.183,398 1.208,399 3.247,400 2,401 1,402 1.104,404 2.136,405 1,406 2,407 1,408 3.213,409 1.821,410 1,411 1,413 2.114,414 0.787,415 1.288,416 1,417 2.649,418 0.992,419 0.036,420 0.041,422 0.088,423 0.033,424 1,425 0.592,426 2.304,427 0.63,428 -0.308,429 -0.354,431 -0.675,432 -0.271,433 0.635,434 0.544,435 2,436 0.359,437 -0.655,438 -0.74,440 -1.531,441 -0.654,442 0.5,443 -0.017,444 1.901,445 0.015,446 -1,447 -1,449 -2,450 -0.957,451 0.422,452 -0.406,453 1.555,455 -1,456 -1.203,458 -2.271,459 -1,460 0.209,461 -0.477,462 1.359,464 -1,465 -1.322,467 -2.347,468 -1,469 10.233,470 0.487,471 0.438,472 0.021,473 21.75,474 1.036,475 9.5,476 0.452,477 12.25,478 0.583,479 19.154,480 0.912,481 23.967,482 0.571,483 13.184,484 0.628,485 3.472,486 0.165,487 6.676,488 0.318,489 0.098,491 0.244,496 0.725,497 1.122,498 0.818,499 0.973,500 0.622,501 0.998,502 0.401,503 1.305,504 1.199,505 1.344,506 0.376,507 1.222,508 0.862,509 1.043,510 0.856,511 1.003,512 0.886,513 1.036,514 0.4,515 1.004,516 0.766,517 0.959,518 0.372,519 0.983,520 1.046,521 0.935,522 0.812,523 0.833,524 1.087,525 0.962,526 0.434,527 0.971,528 0.913,529 0.972,530 0.482,531 0.985,532 0.912,533 0.964,534 1.029,535 0.949,536 0.782,537 0.949,538 0.986,539 0.994,540 0.714,541 0.864,542 0.889,543 0.913,544 4,545 0.058,546 1.778,547 0.938,548 0.533,549 0.535,550 0.26,551 0.215,552 0.164,553 0.08,554 4682,555 13137,556 1.995,557 50,558 11,559 8,562 2,567 1.624,568 1.881,569 3.408,570 0.331,572 1,574 1,575 65.484,576 1.559,577 3.244,578 3.964,579 4.452,580 4.583,581 4.583,582 2.939,583 3.785,584 4.358,585 3.582,586 752.273,587 7.43,588 8470.26,589 1,590 1,592 1,593 226.477,594 1.322,595 4.328,596 0.182,597 0.006,598 0.063,599 0.036,600 0.023,601 0.025,602 0.014,603 0.015,604 0.011,605 0.006,606 0.383,607 0.33,608 1,609 1.865,610 97.945,611 -0.065,612 0.063,613 0.041,614 0.099,615 -0.027,616 0.057,617 0.213,618 -0.18,619 -0.13,620 -0.187,621 0.195,622 -0.162,623 -0.026,624 -0.046,625 0.046,626 -0.059,627 -0.064,628 -0.056,629 0.082,630 -0.06,631 0.065,632 -0.04,633 0.069,634 0.024,635 -0.096,637 0.015,638 0.041,639 -0.095,640 -0.004,641 0.426,643 0.08,644 0.003,645 0.364,646 -0.007,647 -0.088,648 0.047,649 -0.051,650 0.004,651 -0.065,652 0.015,653 -0.023,654 -0.008,655 0.095,656 -0.013,657 0.041,658 0.031,659 2.565,660 4.656,661 0.571,662 20.463,663 1,664 1.124,665 2.552,666 6.513,667 0.658,668 3.135,669 3.367,670 3.497,671 3.664,672 3.829,673 3.784,674 3.85,675 3.892,676 3.807,677 3.761,678 6.399,679 0.61,680 307.45,681 3.135,682 4.615,683 5.398,684 6.221,685 7.024,686 7.853,687 8.666,688 9.499,689 10.319,690 11.155,691 2.4,698 1,709 4,714 2,716 6,738 42,739 8,740 1,741 22,743 43,744 16,745 6,746 2,747 4,752 2,753 2,763 5,764 1,766 5,768 8,769 8,770 1,772 2,778 2,782 2,785 1,786 1,789 21,790 4,791 2,792 5,793 1,797 1,803 1,804 3,823 2,838 1,840 1,853 1,855 2,856 1,857 1,862 21,868 1,869 7,871 1,873 1,874 1,886 7.1,888 1,889 2,893 11.167,894 7.117,895 4.778,896 2.647,898 1.283,899 1.204,900 0.914,901 6.431,902 7.567,903 3.332,904 3.75,905 4.065,906 4.493,907 4.944,908 5.012,909 5.248,910 5.413,911 5.29,912 5.29,913 1,914 26,915 7.804,917 3.234,918 7.921,919 15.043,921 12.295,924 2.421,925 50.833,926 0.001,929 223.651,930 96.153,931 18.011,933 92.973,935 32.22,936 63.934,937 316.624,938 18.011,940 32.483,941 37.905,942 98.588,943 5.942,945 255.87,947 223.651,948 81.945,949 92.973,950 32.22,952 223.651,953 92.973,956 32.483,957 49.462,959 32.22,960 223.651,961 110.984,962 96.153,965 223.651,966 58.248,967 37.905,968 18.011,969 92.973,970 223.651,971 110.984,972 96.153,973 0.56,974 0.293,975 0.149,976 0.081,977 11,978 5,979 0.14,980 6,982 1,983 3.466,984 141.691,986 12,987 84.239,989 1,993 16.219,994 8.327,995 5.62,997 110.984,998 8.055,1003 2.128,1005 60.694,1006 430.788,1007 27,1013 22.03,1017 -1.059,1020 41.996,1021 47.199,1022 0.289,1023 0.602,1024 0.735,1025 0.826,1026 0.85,1027 0.85,1028 4.527,1029 1,1030 5.333,1031 2.275,1032 4.043,1033 4.431,1034 3.715,1035 6.009,1036 3.994,1037 5.653,1038 1,1039 6.806,1040 2.136,1041 3.434,1042 4.06,1043 2.591,1044 6.653,1045 3.422,1046 6.899,1047 0.036,1048 8.375,1049 2.114,1050 5.501,1051 6.355,1052 5.979,1053 9.674,1054 5.42,1055 8.171,1056 -0.308,1057 10.004,1058 0.088,1059 5.673,1060 6.742,1061 4.805,1062 11.181,1063 5.625,1064 9.473,1065 -0.655,1066 11.671,1067 -0.675,1068 7.21,1069 8.57,1070 8.466,1071 13.69,1072 7.111,1073 10.794,1074 -1,1075 13.368,1076 -1.531,1077 7.775,1078 9.312,1079 7.249,1080 15.576,1081 7.699,1082 12.13,1083 -1,1084 15.086,1085 -2,1086 9.058,1087 10.936,1088 11.015,1089 17.891,1090 8.951,1091 2.875,1092 -1,1093 16.82,1094 -2.271,1095 9.839,1096 11.877,1097 9.884,1098 19.949,1099 9.747,1100 2.566,1101 9.057,1102 18.568,1103 -2.347,1104 10.995,1105 13.392,1106 13.582,1107 22.189,1108 10.885,1109 2.248,1110 7.352,1111 20.327,1112 3.701,1113 11.895,1114 14.457,1115 12.593,1116 24.323,1117 11.795,1118 2.077,1119 5.581,1120 22.094,1121 3.043,1122 12.989,1123 15.903,1124 16.156,1125 26.536,1126 12.88,1127 1.769,1128 5.102,1129 23.869,1130 2.725,1131 13.955,1132 17.05,1133 15.313,1134 28.705,1135 13.852,1136 1.171,1137 4.427,1138 25.649,1139 2.608,1140 15.02,1141 18.452,1142 18.732,1143 30.908,1144 14.913,1145 1,1146 2.707,1147 27.435,1148 2.001,1149 16.022,1150 19.653,1151 18.024,1152 33.093,1153 15.919,1154 4744,1155 8139,1156 14.504,1157 27.631,1158 31.706,1159 35.199,1160 32.165,1161 31.43,1162 31.482,1163 37.948,1164 15.692,1165 81.675,1166 30.613,1167 5.15,1168 6.362,1169 5.945,1170 4.953,1171 4.875,1172 6.701,1173 7.25,1174 15.132,1175 4.866,1176 10.235,1177 1.441,1178 1.6,1179 1.462,1180 1.429,1181 1.431,1182 1.725,1183 0.713,1184 3.712,1185 1.392,1186 3.994,1187 4.031,1188 3.954,1189 3.924,1190 7.474,1191 3.917,1192 3.763,1193 3.815,1194 3.863,1195 3.653,1196 7.428,1197 3.639,1198 3.611,1199 3.622,1200 3.622,1201 3.536,1202 6.351,1203 3.468,1204 3.42,1205 3.437,1206 3.352,1207 3.164,1208 4.748,1209 3.201,1210 3.114,1211 3.206,1212 3.065,1213 2.976,1214 4.232,1215 2.961,1216 3.111,1217 3.181,1218 2.873,1219 2.941,1220 3.923,1221 2.91,1222 2.854,1223 2.925,1224 2.866,1225 2.735,1226 3.702,1227 2.715,1228 2.797,1229 2.866,1230 2.687,1231 2.589,1232 3.674,1233 2.566,1234 0.189,1235 0.198,1236 0.279,1237 0.176,1238 0.131,1239 4.15,1240 0.168,1241 4.362,1242 0.166,1243 6.143,1244 0.412,1245 3.871,1246 0.13,1247 2.875,1248 3.701,1249 3.658,1250 9.057,1251 2.866,1252 1.978,1253 1.944,1254 2.137,1255 2.077,1256 1.505,1257 2.098,1258 1.767,1259 1.718,1260 1.944,1261 1.909,1262 1.1,1263 1.924,1264 1.527,1265 1.513,1266 1.623,1267 1.702,1268 0.946,1269 1.714,1270 1.294,1271 1.267,1272 1.513,1273 1.58,1274 0.825,1275 1.542,1276 1.153,1277 1.065,1278 1.492,1279 1.376,1280 0.758,1281 1.429,1282 1.127,1283 1.064,1284 1.419,1285 1.321,1286 0.603,1287 1.362,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.741,1295 0.669,1296 1.034,1297 1.022,1298 0.158,1299 1.046,1300 3.807,1302 5.056,1304 6.488,1306 8,1308 9.556,1314 8.518,1315 6.604,1317 2.793,1319 1.103,1320 0.662,1326 25.621,1327 65.484,1328 136.264,1329 166.503,1330 186.968,1331 192.477,1332 192.477,1333 45.539,1334 6.284,1335 66.4,1336 91.7,1337 12,1338 11.728,1339 3.17,1340 2.585,1341 39.663,1342 80,1343 75,1344 0.242,1345 164.738,1346 292.42,1347 393.721,1348 3925,1350 15.079,1351 0.718,1352 0.611,1353 15.433,1354 12.825,1355 10.148,1356 0.461,1357 0.386,1358 7.384,1359 9.406,1360 7.116,1361 5.902,1362 10.648,1363 8.498,1364 8.845,1365 0.316,1366 0.228,1367 9.31,1368 6.377,1369 6.422,1370 0.201,1371 0.145,1372 7.161,1373 4.647,1374 5.062,1375 0.133,1376 0.085,1377 5.559,1378 3.237,1379 3.882,1380 0.086,1381 0.05,1382 4.225,1383 2.246,1384 0.392,1385 68.028,1386 0.263,1387 21.541,1388 0.63,1389 100,1390 302.814,1391 127.638,1392 309.284,1393 396.2,1394 286,1395 110,1396 251.928,1397 134.796,1398 263.747,1399 376.46,1400 246,1401 6.382}
{0 CHEMBL1491932,1 1.428,2 10.208,3 4.48,4 20.067,5 94.431,6 7.474,7 0.654,8 3.854,9 3.948,10 3.422,11 3.419,12 5.015,13 3.402,14 4.329,15 4.472,16 3.733,17 3.749,18 5.435,19 3.721,20 4.516,21 4.682,22 3.845,23 3.851,24 5.666,25 3.816,26 4.511,27 4.677,28 3.73,29 3.831,30 5.616,31 3.775,32 4.565,33 4.753,34 3.563,35 3.817,36 5.59,37 3.716,38 4.549,39 4.786,40 3.418,41 3.737,42 5.48,43 3.599,44 4.44,45 4.697,46 3.356,47 3.612,48 5.346,49 3.482,50 4.305,51 4.554,52 3.328,53 3.489,54 5.238,55 3.397,56 0.022,57 0.539,58 8.502,59 4.137,60 8.407,61 4.994,62 0.125,63 0.849,64 15.345,65 6.49,66 17.02,67 7.958,68 0.32,69 1.02,70 19.428,71 7.614,72 33.016,73 9.597,74 0.169,75 1.019,76 19.002,77 7.632,78 26.247,79 9.502,80 0.257,81 1.039,82 21.057,83 8.415,84 34.247,85 10.541,86 0.253,87 1.037,88 21.639,89 8.519,90 34.336,91 11.519,92 0.194,93 0.934,94 19.713,95 7.701,96 28.137,97 10.72,98 0.159,99 0.814,100 17.228,101 6.447,102 22.592,103 8.776,104 15,105 35,106 0.248,107 0.578,108 0.765,109 0.87,110 0.894,111 0.894,112 3.228,113 0.899,114 -4.63,115 -4.55,116 -4.28,120 46.5,121 1,125 1,126 1,136 2,143 8,144 2,145 3,147 2,174 10,177 6,182 1,185 9,188 1,189 9,192 1,194 2,197 8,201 6,206 2,209 8,214 3,219 2,222 9,226 1,227 2,232 1,235 8,239 1,240 3,245 1,247 7,252 2,257 1,260 5,264 4,267 1,269 1,271 5,274 750,275 16.585,276 16.585,277 16.585,278 16.585,279 16.585,280 14.416,281 10.467,282 9.917,283 17.046,284 12.729,285 12.729,286 12.729,287 12.729,288 12.729,289 9.406,290 10.266,291 4.485,292 13.324,293 3.998,294 2.092,295 1.012,296 0.407,297 0.268,298 0.268,299 3.913,306 1,307 1,308 521,309 2.915,313 203.967,317 105.862,320 1.392,321 18.974,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 51.5,333 245,334 4.513,335 3.284,336 6.498,337 4.019,338 3.048,339 4.459,340 0.86,341 10.149,342 2.959,343 4.377,344 3.108,345 6.477,346 3.967,347 3.009,348 4.044,349 0.86,350 10.061,351 2.881,352 3.767,353 2.48,354 5.319,355 3.338,356 2.366,357 3.213,359 6.826,360 2.295,361 3.435,362 2.36,363 5.159,364 3.023,365 2.071,366 2.811,368 6.146,369 1.966,370 3.363,371 2.096,372 5.028,373 2.929,374 1.96,375 2.652,377 5.685,378 1.891,379 2.926,380 1.885,381 4.133,382 2.47,383 1.523,384 2.125,386 3.571,387 1.439,388 2.917,389 1.508,390 4.05,391 2.418,392 1.432,393 2.087,395 3.469,396 1.41,397 2.548,398 1.426,399 3.453,400 2.131,401 1.216,402 1.457,404 2.438,405 1.098,406 2.354,407 1.105,408 3.363,409 1.91,410 0.94,411 1.292,413 2.144,414 0.907,415 2.179,416 1.02,417 3.141,418 1.74,419 0.795,420 1.046,422 1.584,423 0.744,424 1.739,425 0.702,426 2.797,427 1.417,428 0.504,429 0.619,431 0.883,432 0.456,433 1.291,434 0.219,435 2.493,436 0.865,437 -0.082,438 -0.106,440 -0.182,441 -0.077,442 0.975,443 0.075,444 2.367,445 0.679,446 -0.236,447 -0.264,449 -0.376,450 -0.214,451 0.936,452 -0.274,453 2.286,454 0.539,455 -0.428,456 -0.547,458 -0.964,459 -0.41,460 0.81,461 -0.54,462 2.265,463 0.35,464 -0.622,465 -0.903,467 -1.452,468 -0.602,469 11.4,470 0.475,471 0.448,472 0.019,473 33.75,474 1.406,475 19,476 0.792,477 14.75,478 0.615,479 16.125,480 0.672,481 25.2,482 0.586,483 24.097,484 1.004,485 6.948,486 0.289,487 4.776,488 0.199,489 0.117,491 0.307,496 0.904,497 1.12,498 0.793,499 1.037,500 0.981,501 0.922,502 1.177,503 1.047,504 0.863,505 0.931,506 0.827,507 0.862,508 1.058,509 0.985,510 0.87,511 0.899,512 0.9,513 0.859,514 1.235,515 1.122,516 1.113,517 1.115,518 1.066,519 1.089,520 1.317,521 1.096,522 1.264,523 1.117,524 1.153,525 1.176,526 0.8,527 1.008,528 1.04,529 1.028,530 0.833,531 1.069,532 0.577,533 0.94,534 0.821,535 0.938,536 0.627,537 0.923,538 0.851,539 0.8,540 0.776,541 0.799,542 0.742,543 0.77,544 4,545 0.103,546 2.889,547 1.438,548 1.44,549 0.646,550 0.264,551 0.264,552 0.226,553 0.186,554 6334,555 16765,556 2.064,557 44.2,559 15,562 1,564 3,567 1.668,568 1.946,569 3.313,570 -0.383,572 1,575 61.425,576 1.428,577 3.334,578 4.414,579 5.019,580 5.159,581 5.159,582 2.701,583 4.085,584 4.561,585 3.455,586 953.453,587 7.861,588 11343.6,590 1,592 1,593 233.329,594 1.347,595 4.522,596 0.154,597 0.006,598 0.083,599 0.038,600 0.044,601 0.024,602 0.011,603 0.012,604 0.01,605 0.009,606 0.391,607 0.33,608 1,609 1.056,610 114.545,611 -0.046,612 -0.069,613 0.04,614 -0.025,615 -0.142,616 0.013,617 -0.105,618 -0.024,619 0.055,620 0.054,621 -0.029,622 0.074,623 0.1,624 0.045,625 0.088,626 0.066,627 0.112,628 0.072,629 -0.146,630 -0.091,631 -0.173,632 -0.151,633 -0.079,634 -0.159,635 -0.211,636 -0.126,637 -0.299,638 -0.139,639 -0.186,640 -0.22,641 0.001,642 -0.046,643 -0.063,644 -0.048,645 -0.029,646 -0.066,647 0.116,648 0.019,649 0.166,650 0.045,651 0.081,652 0.1,653 0.005,654 0.181,655 0.229,656 0.17,657 0.055,658 0.231,659 1.487,660 3.935,661 0.667,662 18.417,663 1.001,664 1.113,665 3.398,666 11.548,667 0.68,668 3.296,669 3.584,670 3.871,671 4.111,672 4.304,673 4.263,674 4.304,675 4.382,676 4.522,677 4.511,678 6.031,679 0.649,680 321.4,681 3.296,682 4.812,683 5.659,684 6.526,685 7.39,686 8.261,687 9.128,688 10,689 10.868,690 11.74,691 2.3,701 1,708 2,709 8,710 1,714 5,716 17,734 1,735 2,738 43,739 18,740 2,741 26,743 45,744 20,745 15,746 6,747 6,748 2,752 3,753 4,759 1,768 17,769 3,772 1,780 2,786 1,789 19,790 4,791 1,792 4,797 1,803 0.667,804 3,816 1,823 3,827 1,845 2,855 2,859 2,862 24,868 1,869 1,872 2,886 7,888 1,891 2,893 12.333,894 8.317,895 5.528,896 2.567,898 4.067,899 1.575,900 0.954,901 5.016,902 11.14,903 3.597,904 4.22,905 4.873,906 5.474,907 6.056,908 6.323,909 6.721,910 7.133,911 7.619,912 7.856,913 0.857,914 38,915 8.819,917 3.629,918 7.715,919 16.779,921 13.212,924 2.215,925 53.167,928 1,929 211.88,930 140.209,931 16.786,933 64.683,936 140.209,937 276.563,938 16.786,939 19.708,940 4.592,941 94.762,942 59.469,943 43.146,945 211.88,947 211.88,948 156.995,949 64.683,952 176.567,953 99.996,956 18.318,957 102.938,958 35.738,960 211.88,961 81.469,962 140.209,965 211.88,966 25.739,967 114.471,969 81.469,970 211.88,971 81.469,972 140.209,973 0.564,974 0.347,975 0.197,976 0.105,977 16,978 7,979 0.111,980 5,981 1,982 1.125,983 3.614,984 189.645,985 0.125,986 16,987 110.039,993 16.342,994 7.367,995 3.545,996 1.498,997 81.469,998 14.975,999 4.495,1003 3.25,1005 42.683,1006 433.558,1007 35.5,1015 3.814,1020 43.036,1021 47.863,1022 0.263,1023 0.614,1024 0.814,1025 0.925,1026 0.951,1027 0.951,1028 4.798,1029 1.216,1030 5.624,1031 3.469,1032 4.263,1033 4.905,1034 1.376,1035 6.425,1036 4.183,1037 6.01,1038 0.94,1039 7.175,1040 2.438,1041 3.761,1042 4.691,1044 7.334,1045 3.643,1046 7.318,1047 0.795,1048 8.831,1049 2.144,1050 5.838,1051 7.183,1052 1.159,1053 10.428,1054 5.693,1055 8.669,1056 0.504,1057 10.55,1058 1.584,1059 6.196,1060 7.837,1062 12.178,1063 6.001,1064 10.054,1065 -0.082,1066 12.309,1067 0.883,1068 7.705,1069 9.76,1070 0.963,1071 14.775,1072 7.495,1073 11.464,1074 -0.236,1075 14.095,1076 -0.182,1077 8.468,1078 10.831,1080 16.858,1081 8.203,1082 12.892,1083 -0.428,1084 15.9,1085 -0.376,1086 9.741,1087 12.508,1088 0.787,1089 19.283,1090 9.46,1091 3.048,1092 -0.622,1093 17.719,1094 -0.964,1095 10.694,1096 13.786,1098 21.501,1099 10.362,1100 3.009,1101 10.149,1102 19.55,1103 -1.452,1104 11.868,1105 15.352,1106 0.634,1107 23.86,1108 11.515,1109 2.366,1110 10.061,1111 21.388,1112 4.459,1113 12.906,1114 16.733,1116 26.134,1117 12.507,1118 2.071,1119 6.826,1120 23.233,1121 4.044,1122 14.04,1123 18.249,1124 0.504,1125 28.466,1126 13.615,1127 1.96,1128 6.146,1129 25.083,1130 3.213,1131 15.117,1132 19.68,1134 30.763,1135 14.65,1136 1.523,1137 5.685,1138 26.937,1139 2.811,1140 16.235,1141 21.175,1142 0.395,1143 33.084,1144 15.738,1145 1.432,1146 3.571,1147 28.794,1148 2.652,1149 17.329,1150 22.631,1152 35.39,1153 16.794,1154 6201,1155 10202,1156 17.394,1157 29.222,1158 38.194,1159 38.415,1160 39.609,1161 37.738,1162 37.725,1163 51.61,1164 3.44,1165 105.914,1166 36.094,1167 5.229,1168 5.284,1169 6.268,1170 5.062,1171 5.048,1172 7.459,1173 1.72,1174 16.928,1175 4.959,1176 10.934,1177 1.469,1178 1.478,1179 1.523,1180 1.451,1181 1.451,1182 1.985,1183 0.132,1184 4.074,1185 1.388,1186 4.079,1187 4.102,1188 4.043,1189 4.008,1190 6.471,1191 4.013,1192 3.928,1193 3.941,1194 3.884,1195 3.853,1196 4.969,1197 3.857,1198 3.554,1199 3.592,1200 3.472,1201 3.46,1202 4.887,1203 3.457,1204 3.453,1205 3.518,1206 3.275,1207 3.261,1208 4.484,1209 3.251,1210 3.249,1211 3.315,1212 3.092,1213 3.112,1214 4.424,1215 3.1,1216 3.206,1217 3.252,1218 3.059,1219 2.963,1220 4.301,1221 2.973,1222 3.011,1223 3.05,1224 2.92,1225 2.837,1226 4.011,1227 2.852,1228 2.807,1229 2.861,1230 2.648,1231 2.642,1232 3.857,1233 2.636,1234 0.174,1235 0.126,1236 0.25,1237 0.155,1238 0.117,1239 4.513,1240 0.171,1241 3.284,1242 0.033,1243 6.498,1244 0.39,1245 4.019,1246 0.114,1247 3.048,1248 4.459,1249 0.86,1250 10.149,1251 2.959,1252 2.036,1253 2.016,1254 2.107,1255 2.123,1256 1.211,1257 2.119,1258 1.899,1259 1.885,1260 1.992,1261 1.997,1262 1.105,1263 1.994,1264 1.543,1265 1.51,1266 1.792,1267 1.714,1268 0.929,1269 1.741,1270 1.452,1271 1.38,1272 1.678,1273 1.634,1274 0.736,1275 1.651,1276 1.22,1277 1.175,1278 1.573,1279 1.512,1280 0.574,1281 1.532,1282 1.194,1283 1.121,1284 1.426,1285 1.355,1286 0.477,1287 1.379,1288 0.946,1289 0.909,1290 1.125,1291 1.181,1292 0.151,1293 1.163,1294 0.782,1295 0.733,1296 1.063,1297 1.025,1298 0.133,1299 1.038,1300 3.97,1302 5.263,1304 6.774,1306 8.39,1308 10.055,1310 3.564,1314 9.935,1315 0.578,1318 11.057,1326 27.907,1327 61.425,1328 143.355,1329 189.82,1330 215.82,1331 221.82,1332 221.82,1333 35.336,1334 7.073,1335 51.58,1336 51.58,1337 18,1338 12.282,1339 4.248,1340 3.392,1341 39.35,1342 89,1343 82,1344 0.221,1345 172.874,1346 298.39,1347 413.571,1348 11021,1350 16.941,1351 0.706,1352 0.57,1353 16.941,1354 13.692,1355 11.724,1356 0.451,1357 0.3,1358 7.687,1359 11.299,1360 7.457,1361 6.238,1362 11.724,1363 7.792,1364 9.9,1365 0.283,1366 0.149,1367 9.9,1368 5.23,1369 8.559,1370 0.182,1371 0.078,1372 8.559,1373 3.667,1374 7.252,1375 0.121,1376 0.043,1377 7.252,1378 2.566,1379 5.79,1380 0.079,1381 0.023,1382 5.79,1383 1.695,1384 0.347,1385 73.352,1386 0.24,1387 23.458,1388 0.602,1389 122,1390 365.266,1391 132.579,1392 349.878,1393 483.73,1394 330,1395 143,1396 357.847,1397 154.135,1398 363.263,1399 530.87,1400 342,1401 4.558}
{0 CHEMBL1492017,1 1.719,2 9.286,3 3.18,4 10.113,5 75.537,6 8.181,7 0.696,8 3.703,9 3.804,10 3.34,11 3.146,12 4.923,13 3.186,14 4.184,15 4.337,16 3.694,17 3.476,18 5.44,19 3.503,20 4.254,21 4.415,22 3.625,23 3.51,24 5.439,25 3.516,26 4.33,27 4.548,28 3.569,29 3.421,30 5.484,31 3.399,32 4.173,33 4.36,34 3.416,35 3.233,36 5.408,37 3.257,38 4.072,39 4.279,40 3.342,41 3.19,42 5.278,43 3.184,44 3.981,45 4.168,46 3.197,47 3.083,48 5.226,49 3.107,50 3.834,51 4.041,52 3.041,53 3.081,54 4.89,55 3.026,56 0.124,57 0.534,58 6.256,59 2.801,60 9.561,61 3.287,62 0.452,63 0.79,64 12.606,65 4.566,66 28.755,67 5.601,68 0.348,69 0.853,70 12.891,71 4.36,72 25.795,73 5.557,74 0.492,75 0.814,76 16.68,77 5.268,78 37.366,79 7.447,80 0.586,81 0.701,82 13.882,83 3.273,84 42.714,85 4.272,86 0.392,87 0.639,88 12.667,89 3.781,90 31.605,91 5.325,92 0.543,93 0.58,94 11.556,95 2.432,96 38.197,97 2.955,98 0.164,99 0.506,100 9.53,101 3.748,102 13.471,103 5.06,104 12,105 32,106 0.313,107 0.701,108 0.832,109 0.874,110 0.874,111 0.874,112 3.103,113 0.827,114 -3.36,115 -3.34,116 -3.2,120 40,121 1,125 1,126 1,143 4,144 1,147 2,148 1,151 1,153 1,163 1,174 4,176 2,177 4,180 5,182 1,185 4,188 1,189 5,197 2,200 4,201 3,204 1,205 1,206 3,213 1,214 1,217 2,219 2,227 6,230 2,232 1,239 2,240 4,252 2,257 2,260 2,264 2,269 2,271 2,274 533,275 14.143,276 14.143,277 14.143,278 14.143,279 14.143,280 12.233,281 19.457,282 8.461,283 14.612,284 11.386,285 11.386,286 11.386,287 11.386,288 11.386,289 8.448,290 30.887,291 4.036,292 12.091,293 3.41,294 1.279,295 0.557,296 0.329,297 0.329,298 0.329,299 3.783,305 1,306 1,307 1,308 417,309 2.55,312 41.879,313 122.381,316 81.965,320 1.347,321 21.664,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47,333 195,334 4.489,335 3.098,336 6.272,337 3.996,338 3.025,339 4.434,340 1.151,341 9.591,342 2.944,343 4.184,344 2.975,345 5.764,346 3.728,347 2.795,348 3.83,349 0.4,350 8.245,351 2.602,352 3.699,353 2.586,354 5.276,355 3.308,356 2.343,357 3.132,359 6.767,360 2.263,361 3.41,362 2.431,363 4.97,364 3.041,365 2.086,366 2.691,368 5.882,369 1.985,370 3.3,371 2.251,372 4.823,373 2.891,374 1.976,375 2.551,377 5.429,378 1.798,379 3.099,380 1.83,381 4.657,382 2.627,383 1.682,384 2.355,386 4.943,387 1.586,388 2.994,389 1.649,390 4.396,391 2.489,392 1.511,393 2.219,395 4.261,396 1.473,397 2.14,398 1.517,399 3.165,400 1.876,401 1.044,402 1.118,404 1.785,405 0.864,406 1.947,407 0.532,408 3.159,409 1.445,410 0.473,411 0.69,413 1.187,414 0.459,415 1.248,416 0.255,417 2.964,418 0.89,419 -0.046,420 -0.057,422 -0.136,423 -0.043,424 1,425 0.113,426 2.378,427 0.626,428 -0.275,429 -0.321,431 -0.509,432 -0.244,433 0.937,434 -0.057,435 2.324,436 0.551,437 -0.415,438 -0.523,440 -1.032,441 -0.385,442 0.742,443 -0.207,444 2.218,445 0.415,446 -0.488,447 -0.589,449 -1.167,450 -0.452,451 0.579,452 -0.609,453 2,454 0.12,455 -0.842,456 -1.112,458 -2.262,459 -0.787,460 0.328,461 -0.802,462 1.773,463 -0.076,464 -1,465 -1.345,467 -2.724,468 -0.939,469 9.6,470 0.457,471 0.537,472 0.026,473 29.75,474 1.417,475 15,476 0.714,477 14.75,478 0.702,479 13.162,480 0.627,481 22.8,482 0.651,483 19.956,484 0.95,485 6.106,486 0.291,487 4.03,488 0.192,489 0.139,491 0.365,496 0.992,497 1.474,498 0.723,499 1.177,500 1.006,501 0.931,502 0.9,503 0.837,504 0.718,505 0.812,506 0.628,507 0.757,508 1.101,509 1.331,510 1.076,511 1.172,512 1.075,513 1.111,514 0.682,515 1.052,516 0.77,517 1.054,518 0.6,519 0.967,520 1.466,521 1.026,522 1.24,523 0.821,524 1.504,525 0.924,526 0.841,527 1.189,528 0.816,529 1.007,530 0.695,531 0.916,532 1.764,533 0.59,534 1.448,535 0.48,536 1.973,537 0.763,538 0.642,539 1.078,540 0.792,541 1.187,542 0.609,543 1.059,544 5.5,545 0.049,546 1.333,547 1.917,548 0.907,549 0.751,550 0.231,551 0.305,552 0.146,553 0.144,554 4394,555 13203,556 2.074,557 40,558 3,559 9,562 2,567 1.63,568 1.938,569 3.207,570 0.425,572 1,574 1,575 60.164,576 1.719,577 3.851,578 4.572,579 4.8,580 4.8,581 4.8,582 2.661,583 4.202,584 4.365,585 3.314,586 696.026,587 7.47,588 7402.36,589 1,590 1,591 1,592 1,593 179.525,594 1.418,595 4.322,596 0.239,597 0.007,598 0.042,599 0.066,600 0.035,601 0.034,602 0.011,603 0.017,604 0.009,605 0.012,606 0.472,607 0.5,608 1,609 1.029,610 95.095,611 -0.143,612 -0.298,613 0.036,614 -0.129,615 -0.194,616 -0.021,617 0.151,618 0.242,619 0.178,620 0.171,621 0.183,622 0.156,623 -0.183,624 -0.223,625 -0.213,626 -0.216,627 -0.214,628 -0.214,629 0.251,630 -0.102,631 0.229,632 -0.095,633 0.269,634 0.02,635 -0.168,636 0.008,637 -0.242,638 0.032,639 -0.228,640 -0.087,641 0.129,642 -0.223,643 0.171,644 -0.055,645 0.279,646 0.05,647 -0.387,648 0.493,649 -0.454,650 0.338,651 -0.513,652 0.029,653 0.053,654 -0.132,655 0.137,656 -0.124,657 0.17,658 0.006,659 1.813,660 3.577,661 0.714,662 15.732,663 1.023,664 1.134,665 2.131,666 4.543,667 0.663,668 3.178,669 3.497,670 3.714,671 4.025,672 4.19,673 4.263,674 4.304,675 4.443,676 4.394,677 4.466,678 5.442,679 0.653,680 286.32,681 3.178,682 4.71,683 5.541,684 6.422,685 7.272,686 8.157,687 9.015,688 9.902,689 10.764,690 11.652,691 11.4,699 1,701 3,708 2,709 4,710 3,712 1,714 5,716 16,729 1,734 1,738 35,739 16,740 1,741 23,743 37,744 14,745 11,746 3,747 3,752 3,753 4,759 1,768 11,769 3,785 1,786 1,789 14,790 7,791 2,792 7,797 4,803 0.667,804 3,808 1,817 1,822 1,823 2,826 1,854 1,855 2,859 2,862 21,868 1,869 1,871 1,872 1,886 8.6,888 1,890 1,891 1,893 10.833,894 6.967,895 4.611,896 1.857,898 3.137,899 1.459,900 0.951,901 3.73,902 9.974,903 3.466,904 4.123,905 4.711,906 5.365,907 5.864,908 6.157,909 6.504,910 6.945,911 7.072,912 7.467,913 1,914 29,915 7.687,917 3.203,918 7.865,919 14.323,921 11.188,924 2.365,925 49.667,929 141.253,930 81.619,931 68.367,933 63.191,936 81.619,937 204.444,938 68.367,939 19.708,940 4.592,941 37.905,942 104.04,943 40.196,944 6.735,945 141.253,947 141.253,948 149.986,949 63.191,952 141.253,953 52.191,954 11,956 42.819,957 56.81,958 50.357,960 141.253,961 131.558,962 81.619,965 141.253,966 24.005,967 57.613,968 18.011,969 113.547,970 141.253,971 131.558,972 81.619,973 0.575,974 0.319,975 0.185,976 0.101,977 16,978 7,979 0.108,980 4,981 1,982 1.133,983 3.378,984 158.691,985 0.133,986 15,987 92.239,993 13.798,994 5.676,995 3.123,996 1.412,997 131.558,998 7.159,999 12.36,1001 5.577,1003 1.96,1005 60.694,1006 354.43,1007 31,1020 35.807,1021 39.697,1022 0.335,1023 0.751,1024 0.891,1025 0.936,1026 0.936,1027 0.936,1028 4.682,1029 1.044,1030 5.525,1031 4.261,1032 4.174,1033 4.808,1034 1.378,1035 6.301,1036 4.069,1037 5.908,1038 0.473,1039 7.054,1040 1.785,1041 3.761,1042 4.691,1044 7.034,1045 3.62,1046 7.221,1047 -0.046,1048 8.67,1049 1.187,1050 5.733,1051 7.079,1052 1.517,1053 10.115,1054 5.542,1055 8.567,1056 -0.275,1057 10.334,1058 -0.136,1059 6.066,1060 7.743,1062 11.632,1063 5.842,1064 9.94,1065 -0.415,1066 12.028,1067 -0.509,1068 7.541,1069 9.628,1070 1.732,1071 14.214,1072 7.274,1073 11.333,1074 -0.488,1075 13.744,1076 -1.032,1077 8.249,1078 10.691,1080 16.112,1081 7.952,1082 12.742,1083 -0.842,1084 15.477,1085 -1.167,1086 9.504,1087 12.352,1088 1.968,1089 18.492,1090 9.171,1091 3.025,1092 -1,1093 17.223,1094 -2.262,1095 10.405,1096 13.624,1098 20.576,1099 10.043,1100 2.795,1101 9.591,1102 18.981,1103 -2.724,1104 11.562,1105 15.181,1106 2.214,1107 22.873,1108 11.168,1109 2.343,1110 8.245,1111 20.749,1112 4.434,1113 12.559,1114 16.558,1116 25.046,1117 12.138,1118 2.086,1119 6.767,1120 22.525,1121 3.83,1122 13.674,1123 18.069,1124 2.468,1125 27.311,1126 13.225,1127 1.976,1128 5.882,1129 24.309,1130 3.132,1131 14.719,1132 19.497,1134 29.525,1135 14.243,1136 1.682,1137 5.429,1138 26.098,1139 2.691,1140 15.817,1141 20.989,1142 2.727,1143 31.779,1144 15.315,1145 1.511,1146 4.943,1147 27.894,1148 2.551,1149 16.885,1150 22.444,1152 34.013,1153 16.358,1154 4311,1155 7612,1156 15.315,1157 23.193,1158 34.263,1159 34.126,1160 35.239,1161 33.897,1162 33.871,1163 46.039,1164 3.102,1165 96.181,1166 31.949,1167 5.274,1168 5.098,1169 6.039,1170 5.068,1171 5.025,1172 7.434,1173 2.302,1174 15.977,1175 4.944,1176 10.014,1177 1.49,1178 1.484,1179 1.532,1180 1.474,1181 1.473,1182 2.002,1183 0.135,1184 4.182,1185 1.389,1186 4.086,1187 4.105,1188 4.06,1189 3.956,1190 6.476,1191 3.975,1192 3.86,1193 3.901,1194 3.825,1195 3.686,1196 5.227,1197 3.715,1198 3.479,1199 3.528,1200 3.394,1201 3.276,1202 4.883,1203 3.301,1204 3.355,1205 3.406,1206 3.211,1207 3.057,1208 4.578,1209 3.083,1210 3.065,1211 3.146,1212 2.922,1213 2.871,1214 4.416,1215 2.871,1216 2.933,1217 3.018,1218 2.812,1219 2.737,1220 3.983,1221 2.743,1222 2.915,1223 2.961,1224 2.741,1225 2.658,1226 3.847,1227 2.665,1228 2.672,1229 2.762,1230 2.477,1231 2.445,1232 3.697,1233 2.443,1234 0.195,1235 0.135,1236 0.273,1237 0.174,1238 0.132,1239 4.489,1240 0.193,1241 3.098,1242 0.05,1243 6.272,1244 0.417,1245 3.996,1246 0.128,1247 3.025,1248 4.434,1249 1.151,1250 9.591,1251 2.944,1252 1.92,1253 1.899,1254 2.023,1255 2.011,1256 1.138,1257 2.014,1258 1.772,1259 1.733,1260 1.86,1261 1.984,1262 0.949,1263 1.946,1264 1.337,1265 1.289,1266 1.597,1267 1.658,1268 0.603,1269 1.627,1270 1.244,1271 1.182,1272 1.528,1273 1.547,1274 0.582,1275 1.513,1276 1.184,1277 1.135,1278 1.38,1279 1.429,1280 0.405,1281 1.455,1282 0.917,1283 0.835,1284 1.235,1285 1.204,1286 0.269,1287 1.224,1288 0.847,1289 0.785,1290 1.095,1291 1.105,1292 0.139,1293 1.093,1294 0.637,1295 0.567,1296 0.854,1297 0.912,1299 0.895,1300 3.85,1302 5.165,1303 2.398,1304 6.658,1305 4.727,1306 8.24,1307 6.823,1308 9.87,1310 3.528,1314 9.577,1315 0.275,1317 2.837,1318 4.981,1326 22.864,1327 60.164,1328 134.77,1329 160.015,1330 168.015,1331 168.015,1332 168.015,1333 25.475,1334 6.837,1335 93.3,1336 93.3,1337 17,1338 12.188,1339 4.087,1340 3.17,1341 32.248,1342 69,1343 68,1344 0.234,1345 141.557,1346 232.87,1347 337.159,1348 7719,1350 14.82,1351 0.706,1352 0.553,1353 14.82,1354 11.622,1355 10.135,1356 0.441,1357 0.276,1358 6.187,1359 9.542,1360 6.001,1361 5.024,1362 10.135,1363 6.339,1364 9.345,1365 0.292,1366 0.143,1367 9.345,1368 4.589,1369 7.176,1370 0.179,1371 0.071,1372 7.176,1373 2.821,1374 6.511,1375 0.118,1376 0.035,1377 6.511,1378 1.942,1379 4.889,1380 0.075,1381 0.018,1382 4.889,1383 1.185,1384 0.365,1385 65.046,1386 0.256,1387 20.82,1388 0.648,1389 110,1390 386.889,1391 127.294,1392 365.274,1393 498.55,1394 342,1395 127,1396 370.735,1397 143.41,1398 373.352,1399 544.4,1400 347,1401 4.954}
{0 CHEMBL1492274,1 1.418,2 7.231,3 4.427,4 19.6,5 99.634,6 7.986,7 0.621,8 3.867,9 3.956,10 3.504,11 3.501,12 5.049,13 3.485,14 4.365,15 4.494,16 3.883,17 3.888,18 5.517,19 3.862,20 4.617,21 4.748,22 4.115,23 4.096,24 5.821,25 4.075,26 4.758,27 4.9,28 4.19,29 4.115,30 6.135,31 4.11,32 4.807,33 4.959,34 4.161,35 4.139,36 6.159,37 4.121,38 4.784,39 4.941,40 3.994,41 4.075,42 6.08,43 4.027,44 4.705,45 4.884,46 3.633,47 3.941,48 5.869,49 3.836,50 4.526,51 4.772,52 3.21,53 3.736,54 5.357,55 3.547,56 0.01,57 0.521,58 7.177,59 3.864,60 5.377,61 4.579,62 0.197,63 0.871,64 13.88,65 6.44,66 16.393,67 7.772,68 0.13,69 1.125,70 17.749,71 8.282,72 19.366,73 9.955,74 0.286,75 1.285,76 22.18,77 9.304,78 62.891,79 10.699,80 0.499,81 1.366,82 24.167,83 9.526,84 67.18,85 10.799,86 0.305,87 1.261,88 24.141,89 10.229,90 62.633,91 11.537,92 0.446,93 1.158,94 23.882,95 9.723,96 91.846,97 10.872,98 0.167,99 1.025,100 20.713,101 9.042,102 26.52,103 12.209,104 18,105 42,106 0.243,107 0.517,108 0.645,109 0.749,110 0.781,111 0.797,112 3.307,113 0.862,114 -5.49,115 -5.37,116 -5.01,120 51.2,121 1,125 1,143 11,144 5,145 2,159 2,174 17,176 2,177 6,185 20,188 1,189 12,197 16,200 1,201 17,209 12,213 2,214 15,222 16,227 12,235 20,240 4,247 19,252 2,260 12,271 4,274 884,275 17.767,276 17.767,277 17.767,278 17.767,279 17.767,280 15.441,281 14.726,282 10.301,283 17.993,284 14.222,285 14.222,286 14.222,287 14.222,288 14.222,289 10.603,290 17.696,291 4.751,292 14.468,293 4.008,294 2.41,295 1.664,296 1.058,297 0.872,298 0.779,299 4.002,306 1,307 1,308 408,309 2.449,313 157.272,314 50.852,318 168.523,320 1.095,321 29.222,323 1,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 55.5,333 188,334 4.663,335 3.945,336 7.104,337 4.355,338 3.371,339 4.29,340 1.349,341 12.265,342 3.319,343 4.314,344 3.38,345 6.595,346 3.938,347 2.966,348 3.946,349 0.86,350 10.467,351 2.875,352 4.052,353 3.114,354 6.231,355 3.672,356 2.659,357 3.607,358 0.8,359 9.063,360 2.688,361 3.805,362 2.878,363 5.867,364 3.454,365 2.469,366 3.133,368 7.91,369 2.428,370 3.438,371 2.419,372 4.955,373 3.072,374 2.1,375 2.735,377 5.782,378 2.033,379 3.151,380 2.168,381 4.794,382 2.666,383 1.648,384 2.382,386 4.607,387 1.672,388 2.98,389 2.007,390 4.512,391 2.553,392 1.57,393 2.189,395 3.969,396 1.541,397 2.895,398 1.525,399 4.148,400 2.461,401 1.47,402 2.038,404 3.33,405 1.45,406 2.586,407 1.323,408 3.637,409 2.1,410 1.101,411 1.597,413 2.825,414 1.097,415 2.5,416 1.309,417 3.618,418 2,419 1,420 1.5,422 2.449,423 1,424 2.467,425 1.103,426 3.528,427 1.902,428 0.854,429 1.311,431 2.137,432 0.887,433 1.876,434 1,435 3.147,436 1.554,437 0.654,438 0.754,440 1.164,441 0.579,442 1.451,443 0.917,444 2.841,445 1.075,446 0.087,447 0.109,449 0.198,450 0.085,451 1.105,452 0.161,453 2.481,454 0.682,455 -0.29,456 -0.347,458 -0.559,459 -0.274,460 0.94,461 -0.119,462 2.332,463 0.626,464 -0.4,465 -0.562,467 -0.937,468 -0.413,469 12.4,470 0.477,471 0.645,472 0.025,473 38.25,474 1.471,475 22,476 0.846,477 16.25,478 0.625,479 18.512,480 0.712,481 26,482 0.605,483 30.741,484 1.182,485 7.796,486 0.3,487 4.817,488 0.185,489 0.134,491 0.395,496 0.636,497 1.085,498 0.689,499 0.953,500 0.538,501 0.852,502 0.764,503 0.907,504 0.741,505 0.809,506 0.614,507 0.781,508 0.835,509 1.12,510 0.767,511 0.996,512 0.824,513 0.892,514 1.243,515 1.143,516 0.856,517 1,518 1.232,519 0.883,520 1.337,521 0.893,522 1.012,523 0.884,524 1.44,525 0.874,526 1.535,527 1.024,528 1.159,529 1.084,530 1.604,531 1.067,532 1.734,533 0.936,534 1.474,535 1.031,536 2.025,537 1.187,538 0.543,539 1.093,540 1.168,541 1.21,542 0.234,543 1.284,544 4,546 3.333,547 2.563,548 2.493,549 1.396,550 0.684,551 0.341,552 0.172,553 0.063,554 6404,555 17011,556 2.101,557 39.5,558 3,559 14,567 1.704,568 1.95,569 2.872,570 -0.836,572 1,575 60.98,576 1.418,577 3.017,578 3.762,579 4.368,580 4.554,581 4.647,582 2.272,583 4.085,584 4.676,585 3.004,586 976.148,587 8.171,588 11472.3,590 1,592 1,593 233.329,594 1.46,595 4.624,596 0.138,598 0.079,599 0.049,600 0.046,601 0.027,602 0.016,603 0.012,604 0.01,605 0.01,606 0.387,607 0.5,608 0.88,609 0.777,610 121.287,611 -0.005,612 -0.095,613 0.053,614 -0.029,615 -0.054,616 0.01,617 0.089,618 0.104,619 0.105,620 0.127,621 -0.005,622 0.113,623 0.045,624 -0.111,625 0.089,626 -0.063,627 0.006,628 0.002,629 0.025,630 -0.123,631 0.085,632 -0.071,633 0.135,634 0.002,635 0.013,636 0.157,637 -0.049,638 0.041,639 0.019,640 0.008,641 -0.191,642 -0.078,643 -0.177,644 -0.116,645 -0.108,646 -0.137,647 -0.361,648 -0.006,649 -0.455,650 -0.044,651 -0.426,652 -0.228,653 0.002,654 -0.169,655 -0.157,656 -0.183,657 0.031,658 -0.196,659 2.023,660 6.345,661 0.808,662 16.769,663 1.004,664 1.103,665 4.263,666 18.169,667 0.708,668 3.401,669 3.761,670 4.127,671 4.466,672 4.771,673 4.913,674 5.043,675 5.17,676 5.273,677 5.333,678 4.783,679 0.683,680 343.4,681 3.401,682 4.963,683 5.855,684 6.77,685 7.684,686 8.607,687 9.528,688 10.454,689 11.378,690 12.306,691 2.3,698 1,709 11,714 7,716 18,735 1,738 43,739 20,740 3,741 29,743 46,744 22,745 18,746 7,747 11,748 2,752 4,753 7,759 1,768 20,769 2,772 2,778 2,782 2,786 1,789 17,790 4,792 4,797 1,800 1,803 0.5,804 3,823 3,824 1,828 2,855 2,859 2,862 26,872 1,875 1,886 7,889 2,891 1,893 13.333,894 8.617,895 5.75,896 2.511,898 3.759,899 1.485,900 1.015,901 4.002,902 11.503,903 3.714,904 4.337,905 4.982,906 5.601,907 6.18,908 6.447,909 6.843,910 7.217,911 7.604,912 7.938,913 0.8,914 52,915 9.669,917 4.245,918 7.827,919 18.161,921 15.05,924 2.327,925 60.5,928 1,929 200.109,930 157.284,931 3.124,933 61.29,936 157.284,937 261.398,938 3.124,939 19.708,940 3.124,941 104.239,942 59.699,943 34.928,945 200.109,947 200.109,948 160.409,949 61.29,952 200.109,953 61.29,956 11.95,957 148.459,960 200.109,961 64.414,962 157.284,965 200.109,966 33.337,967 127.071,969 61.29,970 200.109,971 64.414,972 157.284,973 0.584,974 0.368,975 0.219,976 0.128,977 22,978 10,979 0.043,980 2,981 2,982 1.19,983 3.494,984 245.099,985 0.19,986 21,987 102.211,993 16.406,994 6.342,995 2.603,997 64.414,998 20.057,1003 4.38,1006 421.807,1007 40,1013 26.69,1017 -0.712,1020 43.153,1021 47.448,1022 0.261,1023 0.556,1024 0.693,1025 0.805,1026 0.839,1027 0.856,1028 4.959,1029 1.47,1030 5.861,1031 3.969,1032 4.443,1033 5.024,1034 1.985,1035 6.758,1036 4.415,1037 6.186,1038 1.101,1039 7.473,1040 3.33,1041 4.111,1042 4.832,1043 0.325,1044 7.837,1045 4.07,1046 7.512,1047 1,1048 9.19,1049 2.825,1050 6.107,1051 7.238,1052 2.163,1053 11.022,1054 6.047,1055 8.876,1056 0.854,1057 10.971,1058 2.449,1059 6.621,1060 7.862,1061 0.931,1062 12.93,1063 6.542,1064 10.273,1065 0.654,1066 12.792,1067 2.137,1068 8.091,1069 9.734,1070 2.469,1071 15.643,1072 7.997,1073 11.694,1074 0.087,1075 14.639,1076 1.164,1077 8.981,1078 10.745,1079 1.621,1080 17.879,1081 8.866,1082 13.134,1083 -0.29,1084 16.506,1085 0.198,1086 10.258,1087 12.387,1088 2.873,1089 20.438,1090 10.129,1091 3.371,1092 -0.4,1093 18.387,1094 -0.559,1095 11.316,1096 13.595,1097 2.316,1098 22.814,1099 11.167,1100 2.966,1101 12.265,1102 20.278,1103 -0.937,1104 12.528,1105 15.129,1106 3.342,1107 25.322,1108 12.363,1109 2.659,1110 10.467,1111 22.178,1112 4.29,1113 13.66,1114 16.441,1115 2.996,1116 27.761,1117 13.476,1118 2.469,1119 9.063,1120 24.085,1121 3.946,1122 14.853,1123 17.922,1124 3.853,1125 30.255,1126 14.654,1127 2.1,1128 7.91,1129 25.998,1130 3.607,1131 16.021,1132 19.291,1133 3.659,1134 32.724,1135 15.804,1136 1.648,1137 5.782,1138 27.915,1139 3.133,1140 17.212,1141 20.748,1142 4.39,1143 35.216,1144 16.98,1145 1.57,1146 4.607,1147 29.837,1148 2.735,1149 18.397,1150 22.148,1151 4.307,1152 37.7,1153 18.148,1154 6184,1155 10203,1156 19.304,1157 30.46,1158 44.497,1159 46.646,1160 46.752,1161 43.872,1162 43.895,1163 59.18,1164 6.018,1165 132.335,1166 43.308,1167 5.528,1168 5.945,1169 6.787,1170 5.374,1171 5.371,1172 7.29,1173 2.549,1174 20.033,1175 5.319,1176 12.254,1177 1.534,1178 1.608,1179 1.612,1180 1.513,1181 1.514,1182 2.041,1183 0.208,1184 4.563,1185 1.493,1186 4.081,1187 4.098,1188 4.048,1189 4.015,1190 7.443,1191 4.019,1192 3.903,1193 3.926,1194 3.85,1195 3.84,1196 7.411,1197 3.839,1198 3.749,1199 3.776,1200 3.681,1201 3.69,1202 4.861,1203 3.684,1204 3.425,1205 3.455,1206 3.379,1207 3.22,1208 4.782,1209 3.253,1210 3.303,1211 3.358,1212 3.142,1213 3.059,1214 4.577,1215 3.068,1216 3.049,1217 3.124,1218 3.002,1219 2.882,1220 4.396,1221 2.901,1222 3.025,1223 3.052,1224 2.836,1225 2.862,1226 3.825,1227 2.851,1228 2.943,1229 2.992,1230 2.762,1231 2.811,1232 3.729,1233 2.784,1234 0.161,1235 0.136,1236 0.245,1237 0.15,1238 0.116,1239 4.663,1240 0.148,1241 3.945,1242 0.047,1243 7.104,1244 0.423,1245 4.355,1246 0.114,1247 3.371,1248 4.29,1249 1.349,1250 12.265,1251 3.319,1252 1.989,1253 1.973,1254 2.073,1255 2.044,1256 1.209,1257 2.054,1258 1.923,1259 1.901,1260 2.022,1261 2.033,1262 1.147,1263 2.026,1264 1.78,1265 1.756,1266 1.902,1267 1.874,1268 0.974,1269 1.883,1270 1.329,1271 1.293,1272 1.608,1273 1.568,1274 0.638,1275 1.58,1276 1.237,1277 1.184,1278 1.485,1279 1.528,1280 0.542,1281 1.502,1282 1.055,1283 0.988,1284 1.352,1285 1.3,1286 0.383,1287 1.344,1288 1.011,1289 0.959,1290 1.188,1291 1.182,1292 0.293,1293 1.162,1294 0.94,1295 0.897,1296 1.151,1297 1.09,1298 0.214,1299 1.124,1300 4.078,1302 5.425,1304 6.989,1305 2.708,1306 8.651,1307 5.533,1308 10.362,1310 3.445,1318 5.421,1321 1.219,1326 29.38,1327 60.98,1328 129.712,1329 161.766,1330 187.82,1331 195.82,1332 199.82,1333 48.811,1334 7.744,1335 48.3,1336 48.3,1337 25,1338 12.81,1339 4.392,1340 3.585,1341 37.456,1342 74,1343 70,1344 0.255,1345 178.81,1346 315.35,1347 428.056,1348 23517,1350 18.259,1351 0.702,1352 0.559,1353 18.259,1354 14.523,1355 12.613,1356 0.435,1357 0.287,1358 8.242,1359 12.248,1360 7.975,1361 6.652,1362 12.613,1363 8.334,1364 11.27,1365 0.268,1366 0.148,1367 11.27,1368 6.212,1369 10.194,1370 0.167,1371 0.075,1372 10.194,1373 4.587,1374 9.041,1375 0.105,1376 0.039,1377 9.041,1378 3.336,1379 7.747,1380 0.066,1381 0.021,1382 7.747,1383 2.402,1384 0.373,1385 78.45,1386 0.228,1387 23.839,1388 0.796,1389 142,1390 416.852,1391 152.388,1392 403.781,1393 557.31,1394 378,1395 174,1396 413.044,1397 185.36,1398 422.565,1399 626.95,1400 397,1401 4.932}
{0 CHEMBL1492648,1 2.089,2 6.7,3 3.416,4 11.669,5 66.789,6 10.424,7 0.571,8 3.511,9 3.576,10 3.515,11 3.121,12 4.782,13 3.11,14 4.065,15 4.167,16 3.878,17 3.405,18 6.095,19 3.443,20 4.204,21 4.353,22 3.788,23 3.444,24 5.896,25 3.459,26 4.104,27 4.269,28 3.707,29 3.387,30 5.565,31 3.397,32 4.088,33 4.205,34 3.961,35 3.382,36 5.687,37 3.421,38 4.219,39 4.329,40 3.9,41 3.279,42 6.444,43 3.361,44 4.173,45 4.38,46 3.288,47 2.965,48 5.866,49 3.018,50 3.641,51 3.88,52 2.466,53 2.346,54 5.216,55 2.346,56 0.223,57 0.671,58 3.696,59 3.255,60 56.037,61 2.451,62 0.91,63 1.328,64 11.164,65 4.994,66 176.744,67 4.196,68 0.791,69 1.041,70 9.267,71 4.84,72 112.605,73 4.554,74 0.685,75 1.059,76 9.108,77 4.945,78 115.307,79 4.082,80 0.571,81 1.205,82 11.811,83 5.692,84 118.88,85 4.358,86 1.226,87 1.176,88 11.09,89 5.795,90 242.866,91 4.248,92 1.274,93 1.013,94 17.985,95 5.857,96 224.885,97 3.753,98 0.709,99 0.477,100 11.502,101 3.386,102 125.374,103 2.895,104 41,105 32,106 0.398,107 0.633,108 0.704,109 0.779,110 0.798,111 0.798,112 3.059,113 1.041,114 -3.85,115 -3.81,116 -3.62,120 41.4,125 1,133 1,143 6,144 1,147 2,151 1,174 6,176 2,177 3,185 7,188 4,189 2,197 5,201 3,209 2,214 7,222 1,227 6,240 5,252 2,274 440,275 12.306,276 12.306,277 12.306,278 12.306,279 12.306,280 10.659,281 7.607,282 7.014,283 12.911,284 10.387,285 10.387,286 10.387,287 10.387,288 10.387,289 7.822,290 7.344,291 3.369,292 11.506,293 2.769,294 1.535,295 1.165,296 0.768,297 0.673,298 0.673,299 3.703,306 1,307 1,308 269,309 3.742,313 130.443,320 1.06,321 47.747,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.5,333 134,334 4.824,335 5.181,336 7.186,337 4.264,338 3.404,339 4.682,340 3.825,341 11.982,342 2.964,343 4.438,344 4.459,345 7.052,346 4.065,347 3.23,348 3.941,349 2.95,350 11.446,351 2.69,352 4.129,353 2.9,354 6.136,355 3.762,356 2.793,357 3.534,359 9.046,360 2.649,361 3.469,362 2.557,363 4.905,364 2.94,365 2,366 2.84,368 5.692,369 1.867,370 3.042,371 1.995,372 4.377,373 2.528,374 1.587,375 2.253,377 4.033,378 1.471,379 2.717,380 1.679,381 4.306,382 2.189,383 1.285,384 1.781,386 3.92,387 1.144,388 2.53,389 1.089,390 3.491,391 2.004,392 1.038,393 1.543,395 2.584,396 1,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 0.996,406 1,407 0.672,408 2.861,409 0.481,410 -0.485,411 -0.658,413 -1.26,414 -0.465,415 0.926,416 0.51,417 2.815,418 0.271,419 -0.644,420 -0.859,422 -2.059,423 -0.576,424 0.785,425 0.51,426 2.499,427 0.048,428 -0.907,429 -1,431 -2.347,432 -0.7,433 0.561,434 -0.123,435 2,437 -1,438 -1,440 -2.412,441 -0.7,442 0.5,443 -0.412,444 2,446 -1,447 -1.168,449 -3,450 -0.78,451 0.298,452 -0.592,453 2,454 -0.203,455 -1,456 -1.317,458 -3,459 -0.863,461 -1,462 2,463 -0.3,464 -1,465 -1.5,467 -3,468 -1,469 9.157,470 0.458,471 0.909,472 0.045,473 27.75,474 1.388,475 15,476 0.75,477 12.75,478 0.638,479 12.895,480 0.645,481 22.643,482 0.781,483 22.194,484 1.11,485 5.508,486 0.275,487 3.669,488 0.183,489 0.221,490 0.146,491 0.218,493 3,496 0.52,497 0.965,498 0.748,499 1.225,500 0.668,501 0.92,502 0.442,503 0.787,504 0.912,505 1.185,506 0.444,507 0.953,508 0.654,509 0.65,510 0.711,511 0.695,512 0.729,513 0.917,514 0.974,515 0.965,516 0.865,517 0.815,518 0.895,519 0.878,520 0.743,521 1.095,522 0.799,523 1.36,524 0.913,525 1.016,526 0.935,527 1.346,528 1.002,529 1.22,530 0.826,531 1.171,532 2.082,533 1.334,534 1.654,535 0.939,536 1.966,537 1.097,538 1.649,539 1.048,540 1.386,541 0.876,542 1.61,543 1.143,544 7,546 2.889,547 1.375,548 1.28,549 1.681,550 0.449,551 0.226,552 0.122,554 2985,555 14571,556 1.888,557 31,559 9,567 1.627,568 1.69,569 2.719,570 -0.59,572 1,573 1,574 1,575 60.578,576 2.089,577 3.322,578 3.693,579 4.09,580 4.185,581 4.185,582 2.121,583 3.046,584 4.296,585 2.885,586 548.244,587 7.386,588 5613.6,590 1,592 1,593 140.881,594 1.846,595 4.178,596 0.333,598 0.09,599 0.046,600 0.047,601 0.056,602 0.015,603 0.015,604 0.02,606 0.624,607 0.5,608 1,609 1.069,610 86.251,611 0.022,612 -0.069,613 0.159,614 -0.07,615 -0.125,616 0.001,617 0.409,618 0.214,619 0.011,620 -0.139,621 0.41,622 -0.059,623 0.078,624 0.08,625 0.02,626 0.09,627 0.006,628 -0.023,629 -0.192,630 -0.064,631 -0.023,632 0.079,633 -0.148,634 0.066,635 0.087,636 -0.137,637 0.248,638 -0.264,639 -0.076,640 -0.066,641 0.259,642 -0.246,643 -0.053,644 -0.239,645 0.416,646 -0.3,647 -0.628,648 -0.045,649 -0.521,650 0.054,651 -0.526,652 -0.099,653 -0.411,654 -0.096,655 -0.259,656 0.02,657 -0.37,658 -0.018,659 5.994,660 4.767,661 0.6,662 12.8,663 1.065,664 1.153,665 2.618,666 6.853,667 0.696,668 3.091,669 3.497,670 3.611,671 3.784,672 4.111,673 4.174,674 4.174,675 4.06,676 3.807,677 3.611,678 4.451,679 0.705,680 302.3,681 3.091,682 4.673,683 5.493,684 6.399,685 7.255,686 8.157,687 9.028,688 9.929,689 10.806,690 11.706,691 6.9,701 2,709 6,710 2,714 4,716 12,738 29,739 14,740 1,741 21,743 30,744 12,745 10,746 1,747 5,752 2,753 2,759 1,765 1,768 10,769 2,772 2,776 1,778 2,786 1,787 3,789 9,790 7,792 8,793 1,797 2,803 1,804 2,817 1,823 2,855 2,857 1,859 1,861 3,862 20,865 1,876 1,885 3,886 6.9,889 2,893 11.833,894 5.579,895 4.111,896 1.474,898 2.373,899 1.381,900 0.977,901 3.534,902 8.607,903 3.401,904 4.078,905 4.527,906 5.066,907 5.693,908 5.96,909 6.351,910 6.529,911 6.697,912 6.865,913 1,914 30,915 8.28,917 4.485,918 8.842,919 12.958,921 10.558,924 3.342,925 66.833,929 105.94,930 87.245,931 33.571,933 44.313,934 44.88,935 6.046,936 81.2,937 150.253,938 78.451,939 7.19,941 62.903,942 77.884,943 53.579,944 0.693,945 105.94,946 7.76,947 105.94,948 114.771,949 89.193,950 6.046,952 105.94,953 89.193,956 13.966,957 67.233,958 39.617,960 150.82,961 77.884,962 87.245,964 6.046,965 113.699,966 9.392,967 64.048,969 122.764,970 105.94,971 122.764,972 87.245,973 0.613,974 0.314,975 0.142,976 0.095,977 16,978 8,979 0.067,980 2,982 1,983 2.983,984 149.902,986 12,987 75.684,992 1,993 14.486,994 4.88,995 3.356,997 122.764,998 8.718,999 6.767,1003 -1.836,1006 315.95,1007 29,1011 -3.938,1013 22.806,1020 30.891,1021 33.431,1022 0.43,1023 0.684,1024 0.76,1025 0.842,1026 0.862,1027 0.862,1028 4.673,1029 1,1030 5.609,1031 2.584,1032 4.174,1033 4.762,1034 3.644,1035 6.521,1036 3.976,1037 5.978,1038 -0.485,1039 7.259,1040 2.136,1041 4.29,1042 5.017,1043 3.903,1044 7.978,1045 3.836,1046 7.371,1047 -0.644,1048 9.032,1049 -1.26,1050 5.994,1051 7.135,1052 5.933,1053 10.907,1054 5.54,1055 8.802,1056 -0.907,1057 10.873,1058 -2.059,1059 6.804,1060 8.109,1061 6.69,1062 13.034,1063 6.081,1064 10.263,1065 -1,1066 12.754,1067 -2.347,1068 8.158,1069 9.846,1070 8.407,1071 15.633,1072 7.402,1073 11.744,1074 -1,1075 14.659,1076 -2.412,1077 9.21,1078 11.118,1079 9.388,1080 17.974,1081 8.219,1082 13.24,1083 -1,1084 16.58,1085 -3,1086 10.456,1087 12.719,1088 10.957,1089 20.478,1090 9.387,1091 3.404,1092 -1,1093 18.511,1094 -3,1095 11.598,1096 14.126,1097 12.074,1098 22.894,1099 10.328,1100 3.23,1101 11.982,1102 20.449,1103 -3,1104 12.81,1105 15.677,1106 13.555,1107 25.369,1108 11.43,1109 2.793,1110 11.446,1111 22.393,1112 4.682,1113 13.986,1114 17.149,1115 14.758,1116 27.814,1117 12.431,1118 2,1119 9.046,1120 24.34,1121 3.941,1122 15.189,1123 18.684,1124 16.184,1125 30.281,1126 13.505,1127 1.587,1128 5.692,1129 26.291,1130 3.534,1131 16.381,1132 20.188,1133 17.441,1134 32.739,1135 14.535,1136 1.285,1137 4.033,1138 28.244,1139 2.84,1140 17.584,1141 21.72,1142 18.834,1143 35.205,1144 15.6,1145 1.038,1146 3.92,1147 30.198,1148 2.253,1149 18.783,1150 23.24,1151 20.124,1152 37.668,1153 16.646,1154 3145,1155 7110,1156 12.712,1157 20.188,1158 33.202,1159 33.543,1160 32.64,1161 32.951,1162 32.674,1163 44.148,1164 13.551,1165 101.678,1166 29.564,1167 5.51,1168 7.181,1169 6.988,1170 5.337,1171 5.404,1172 7.682,1173 6.775,1174 19.289,1175 4.964,1176 12.682,1177 1.581,1178 1.597,1179 1.554,1180 1.569,1181 1.556,1182 2.102,1183 0.645,1184 4.842,1185 1.408,1186 4.076,1187 4.073,1188 4.732,1189 4.037,1190 8.513,1191 3.961,1192 3.874,1193 3.872,1194 3.902,1195 3.842,1196 7.999,1197 3.783,1198 3.651,1199 3.662,1200 3.675,1201 3.507,1202 7.999,1203 3.497,1204 3.22,1205 3.27,1206 3.239,1207 2.927,1208 7.716,1209 2.98,1210 2.854,1211 2.925,1212 2.702,1213 2.735,1214 6.999,1215 2.715,1216 2.807,1217 2.887,1218 2.687,1219 2.59,1220 4.927,1221 2.609,1222 2.663,1223 2.733,1224 2.428,1225 2.412,1226 4.668,1227 2.398,1228 2.38,1229 2.432,1230 2.288,1231 2.08,1232 3.878,1233 2.091,1234 0.23,1235 0.247,1236 0.342,1237 0.203,1238 0.162,1239 4.824,1240 0.223,1241 5.181,1242 0.182,1243 7.186,1244 0.571,1245 4.264,1246 0.141,1247 3.404,1248 4.682,1249 3.825,1250 11.982,1251 2.964,1252 1.962,1253 1.95,1254 2.039,1255 2.064,1256 1.136,1257 2.072,1258 1.794,1259 1.807,1260 1.758,1261 1.896,1262 1.017,1263 1.935,1264 1.523,1265 1.515,1266 1.578,1267 1.692,1268 0.73,1269 1.703,1270 1.008,1271 0.97,1272 1.181,1273 1.344,1274 0.218,1275 1.25,1276 0.886,1277 0.821,1278 1.11,1279 1.062,1280 0.191,1281 1.107,1282 0.773,1283 0.691,1284 0.879,1285 1.027,1286 0.068,1287 1.062,1288 0.584,1289 0.521,1290 0.78,1291 0.876,1293 0.886,1294 0.21,1295 0.174,1296 0.381,1297 0.577,1299 0.555,1300 3.761,1302 5.142,1304 6.698,1306 8.326,1308 9.993,1310 0.761,1312 38.3,1322 -4.744,1326 20.443,1327 60.578,1328 96.352,1329 107.107,1330 118.617,1331 121.372,1332 121.372,1333 53.904,1334 6.234,1335 59.92,1336 68.3,1337 12,1338 12.233,1339 3.907,1340 3.17,1341 35.994,1342 54,1343 50,1344 0.349,1345 129.834,1346 230.1,1347 308.555,1348 3073,1349 10.3,1350 14.966,1351 0.748,1352 0.552,1353 12.716,1354 11.034,1355 9.177,1356 0.437,1357 0.347,1358 5.428,1359 7.906,1360 5.156,1361 4.252,1362 8.86,1363 7.287,1364 9.991,1365 0.312,1366 0.186,1367 9.421,1368 5.966,1369 6.51,1370 0.181,1371 0.09,1372 6.251,1373 3.243,1374 4.768,1375 0.111,1376 0.047,1377 4.884,1378 2.021,1379 4.323,1380 0.072,1381 0.026,1382 4.436,1383 1.561,1384 0.516,1385 68.07,1386 0.28,1387 19.29,1388 1.06,1389 106,1390 567.955,1391 165.252,1392 485.078,1393 613.92,1394 440,1395 121,1396 395.358,1397 178.982,1398 412.951,1399 615.54,1400 382,1401 5.053}
{0 CHEMBL1493171,1 1.374,2 9.478,3 4.5,4 20.253,5 92.886,6 7.584,7 0.68,8 3.768,9 3.867,10 3.348,11 3.415,12 4.955,13 3.379,14 4.231,15 4.375,16 3.698,17 3.777,18 5.4,19 3.725,20 4.457,21 4.618,22 3.784,23 3.91,24 5.61,25 3.848,26 4.545,27 4.723,28 3.743,29 3.87,30 5.85,31 3.788,32 4.539,33 4.738,34 3.405,35 3.727,36 5.718,37 3.611,38 4.374,39 4.648,40 3.279,41 3.523,42 5.375,43 3.398,44 4.092,45 4.276,46 3.34,47 3.408,48 5.344,49 3.36,50 4.061,51 4.218,52 3.347,53 3.445,54 5.294,55 3.391,56 0.026,57 0.48,58 7.373,59 3.692,60 7.859,61 4.597,62 0.085,63 0.778,64 12.787,65 6.023,66 15.6,67 7.861,68 0.099,69 0.985,70 16.789,71 7.354,72 21.209,73 9.399,74 0.238,75 1.034,76 19.417,77 8.416,78 52.83,79 10.885,80 0.308,81 1.023,82 20.969,83 7.993,84 65.292,85 9.599,86 0.149,87 0.883,88 19.119,89 7.574,90 35.075,91 10.389,92 0.135,93 0.644,94 12.904,95 5.187,96 34.253,97 6.359,98 0.106,99 0.643,100 11.664,101 4.846,102 26.208,103 5.925,104 17,105 35,106 0.24,107 0.578,108 0.708,109 0.831,110 0.872,111 0.89,112 3.188,113 0.892,114 -5.51,115 -5.39,116 -5.03,120 50,121 2,136 2,143 8,144 5,147 1,148 1,158 1,174 16,177 5,180 1,182 1,185 22,189 3,194 1,197 20,200 1,201 5,204 1,206 4,209 18,214 3,219 1,222 11,227 5,232 1,235 9,240 5,245 2,247 11,252 4,257 3,260 11,264 3,269 3,271 9,274 652,275 15.345,276 15.345,277 15.345,278 15.345,279 15.345,280 12.979,281 8.298,282 9.003,283 15.422,284 12.316,285 12.316,286 12.316,287 12.316,288 12.316,289 8.761,290 10.085,291 4.224,292 12.435,293 3.948,294 2.018,295 1.275,296 0.575,297 0.338,298 0.238,299 3.867,306 1,307 1,308 467,309 2.915,313 191.571,317 99.506,320 1.285,321 20.846,323 1,324 0.75,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.84,332 48.5,333 218,334 4.513,335 3.576,336 6.689,337 4.109,338 3.118,339 4.442,341 10.647,342 3.096,343 4.47,344 3.029,345 6.505,346 4.024,347 3.025,348 4.167,350 10.193,351 3.02,352 3.732,353 2.892,354 5.246,355 3.316,356 2.319,357 3.125,359 6.477,360 2.307,361 3.527,362 2.24,363 5.167,364 3.1,365 2.104,366 2.917,368 6.194,369 2.095,370 3.232,371 2.183,372 4.879,373 2.825,374 1.879,375 2.481,377 5.225,378 1.778,379 3.144,380 2.11,381 4.623,382 2.714,383 1.71,384 2.427,386 4.591,387 1.694,388 3.118,389 1.618,390 4.161,391 2.618,392 1.618,393 2.314,395 3.784,396 1.618,397 2.772,398 1.282,399 3.599,400 2.274,401 1.274,402 1.904,404 2.843,405 1.274,406 2.534,407 1.107,408 3.408,409 1.999,410 0.994,411 1.443,413 2.283,414 0.997,415 2.14,416 0.722,417 3.136,418 1.508,419 0.506,420 0.774,422 1.192,423 0.505,424 1.34,425 0.55,426 2.696,427 0.958,428 -0.047,429 -0.06,431 -0.12,432 -0.047,433 1.087,434 -0.073,435 2.653,436 0.613,437 -0.347,438 -0.445,440 -0.898,441 -0.322,442 1,443 -0.185,444 2.338,445 0.597,446 -0.412,447 -0.614,449 -0.973,450 -0.42,451 0.882,452 -0.239,453 2.111,454 0.382,455 -0.618,456 -0.76,458 -1.478,459 -0.618,460 0.53,461 -0.618,462 2,463 0.261,464 -0.689,465 -0.927,467 -1.508,468 -0.656,469 11.067,470 0.481,471 0.613,472 0.027,473 33,474 1.435,475 19.5,476 0.848,477 13.5,478 0.587,479 15.435,480 0.671,481 23.133,482 0.578,483 23.594,484 1.026,485 6.73,486 0.293,487 4.328,488 0.188,489 0.151,491 0.361,496 0.733,497 0.964,498 0.78,499 0.89,500 0.749,501 0.851,502 0.5,503 0.979,504 0.729,505 0.917,506 0.525,507 0.864,508 0.93,509 1.016,510 0.969,511 1.014,512 0.9,513 0.989,514 0.806,515 1.174,516 0.986,517 1.192,518 0.832,519 1.13,520 1.969,521 1.027,522 1.471,523 1.084,524 1.992,525 1.195,526 0.807,527 0.756,528 0.707,529 0.768,530 0.888,531 0.733,532 1.58,533 0.891,534 0.901,535 0.835,536 1.784,537 0.797,538 1.442,539 1.123,540 1.076,541 1.037,542 1.419,543 1.016,544 4.5,545 0.099,546 2.889,547 2.313,548 1.16,549 0.5,550 0.407,551 0.312,552 0.259,553 0.158,554 5553,555 14383,556 2.041,557 42.5,558 3,559 10,562 1,563 3,567 1.657,568 1.89,569 3.185,570 -0.412,575 54.952,576 1.374,577 3.304,578 4.046,579 4.746,580 4.984,581 5.084,582 2.593,583 3.882,584 4.502,585 3.338,586 844.501,587 7.743,588 9648.21,590 1,593 212.877,594 1.478,595 4.443,596 0.18,597 0.01,598 0.083,599 0.063,600 0.035,601 0.023,602 0.019,603 0.014,604 0.011,605 0.008,606 0.445,607 0.67,608 0.88,609 0.636,610 107.418,611 -0.054,612 0.027,613 0.016,614 0.063,615 -0.117,616 0.049,617 0.144,618 0.017,619 0.123,620 0.044,621 0.088,622 0.071,623 -0.067,624 -0.001,625 -0.074,626 -0.067,627 -0.068,628 -0.065,629 0.26,630 -0.219,631 -0.034,632 -0.223,633 0.282,634 -0.177,635 -0.367,636 -0.05,637 -0.441,638 -0.129,639 -0.373,640 -0.266,641 0.079,642 0.189,643 0.354,644 0.244,645 0.081,646 0.321,647 -0.123,648 0.072,649 0.107,650 0.136,651 -0.11,652 0.146,653 -0.159,654 -0.124,655 -0.132,656 -0.093,657 -0.143,658 -0.108,659 1.916,660 5.42,661 0.696,662 15.637,663 0.996,664 1.106,665 4.284,666 18.353,667 0.7,668 3.258,669 3.584,670 3.85,671 4.111,672 4.22,673 4.205,674 4.159,675 4.234,676 4.317,677 4.248,678 5.658,679 0.667,680 303.38,681 3.258,682 4.796,683 5.645,684 6.526,685 7.386,686 8.27,687 9.132,688 10.016,689 10.879,690 11.764,691 2.5,701 1,708 2,709 8,710 1,714 5,716 17,721 1,734 1,738 40,739 19,740 2,741 25,743 42,744 20,745 15,746 3,747 7,748 3,752 3,753 4,759 2,768 18,769 2,772 2,778 1,780 2,782 1,786 1,789 17,790 3,791 1,792 3,797 1,803 0.667,804 2,816 1,823 3,827 1,845 2,855 2,859 2,862 23,868 1,886 5,888 1,889 1,893 12.167,894 7.9,895 5.056,896 2.338,898 4.007,899 1.581,900 0.972,901 4.052,902 10.904,903 3.597,904 4.248,905 4.888,906 5.497,907 6.019,908 6.264,909 6.566,910 6.939,911 7.338,912 7.444,913 1,914 37,915 8.495,917 3.603,918 7.819,919 16.046,921 12.981,924 2.319,925 53.333,928 1,929 188.338,930 135.006,931 16.786,933 67.828,936 135.006,937 256.166,938 16.786,939 17.65,941 94.762,942 89.747,943 17.459,945 188.338,947 188.338,948 151.791,949 67.828,952 188.338,953 67.828,956 20.407,957 95.646,958 35.738,960 188.338,961 84.614,962 135.006,965 188.338,966 22.593,967 112.413,969 84.614,970 188.338,971 84.614,972 135.006,973 0.584,974 0.348,975 0.197,976 0.093,977 17,978 8,979 0.071,980 3,981 1,982 1.125,983 3.477,984 181.629,985 0.125,986 16,987 102.042,993 15.142,994 6.155,995 3.056,996 2.208,997 84.614,998 15.771,999 3.961,1003 2.424,1005 42.683,1006 407.957,1007 35.5,1013 12.42,1015 3.268,1017 -0.25,1020 39.825,1021 44.239,1022 0.258,1023 0.621,1024 0.76,1025 0.892,1026 0.937,1027 0.955,1028 4.814,1029 1.274,1030 5.638,1031 3.784,1032 4.263,1033 4.934,1035 6.46,1036 4.246,1037 6.053,1038 0.994,1039 7.207,1040 2.843,1041 3.892,1042 4.796,1044 7.405,1045 3.87,1046 7.373,1047 0.506,1048 8.879,1049 2.283,1050 5.861,1051 7.221,1053 10.519,1054 5.833,1055 8.733,1056 -0.047,1057 10.613,1058 1.192,1059 6.293,1060 7.905,1062 12.307,1063 6.265,1064 10.123,1065 -0.347,1066 12.386,1067 -0.12,1068 7.757,1069 9.802,1071 14.939,1072 7.723,1073 11.536,1074 -0.412,1075 14.188,1076 -0.898,1077 8.571,1078 10.893,1080 17.066,1081 8.537,1082 12.969,1083 -0.618,1084 16.01,1085 -0.973,1086 9.831,1087 12.559,1089 19.525,1090 9.791,1091 3.118,1092 -0.689,1093 17.848,1094 -1.478,1095 10.82,1096 13.85,1098 21.785,1099 10.778,1100 3.025,1101 10.647,1102 19.698,1103 -1.508,1104 11.998,1105 15.41,1107 24.178,1108 11.949,1109 2.319,1110 10.193,1111 21.557,1112 4.442,1113 13.064,1114 16.798,1116 26.492,1117 13.012,1118 2.104,1119 6.477,1120 23.422,1121 4.167,1122 14.209,1123 18.31,1125 28.859,1126 14.151,1127 1.879,1128 6.194,1129 25.294,1130 3.125,1131 15.308,1132 19.743,1134 31.195,1135 15.246,1136 1.71,1137 5.225,1138 27.169,1139 2.917,1140 16.441,1141 21.235,1143 33.552,1144 16.373,1145 1.618,1146 4.591,1147 29.048,1148 2.481,1149 17.555,1150 22.69,1152 35.896,1153 17.483,1154 5410,1155 8811,1156 16.414,1157 28.006,1158 37.964,1159 38.551,1160 38.825,1161 37.133,1162 37.094,1163 51.989,1165 106.859,1166 36.768,1167 5.228,1168 5.576,1169 6.378,1170 5.147,1171 5.118,1172 7.442,1174 17.481,1175 5.096,1176 11.728,1177 1.519,1178 1.542,1179 1.553,1180 1.485,1181 1.484,1182 2.08,1184 4.274,1185 1.471,1186 4.097,1187 4.116,1188 4.053,1189 4.062,1190 7.428,1191 4.057,1192 3.941,1193 3.966,1194 3.904,1195 3.847,1196 6.474,1197 3.857,1198 3.565,1199 3.598,1200 3.486,1201 3.479,1202 4.909,1203 3.474,1204 3.408,1205 3.448,1206 3.31,1207 3.305,1208 4.714,1209 3.3,1210 3.231,1211 3.316,1212 3.057,1213 3.085,1214 4.377,1215 3.068,1216 3.106,1217 3.155,1218 2.973,1219 2.936,1220 4.147,1221 2.933,1222 2.962,1223 3.008,1224 2.843,1225 2.78,1226 3.994,1227 2.786,1228 2.687,1229 2.735,1230 2.555,1231 2.574,1232 3.714,1233 2.56,1234 0.181,1235 0.143,1236 0.268,1237 0.164,1238 0.125,1239 4.513,1240 0.178,1241 3.576,1243 6.689,1244 0.426,1245 4.109,1246 0.124,1247 3.118,1248 4.442,1250 10.647,1251 3.096,1252 2.084,1253 2.067,1254 2.165,1255 2.133,1256 1.303,1257 2.145,1258 1.897,1259 1.875,1260 1.995,1261 2.015,1262 1.112,1263 2.007,1264 1.564,1265 1.53,1266 1.726,1267 1.681,1268 0.773,1269 1.696,1270 1.405,1271 1.367,1272 1.631,1273 1.549,1274 0.699,1275 1.574,1276 1.26,1277 1.182,1278 1.568,1279 1.472,1280 0.599,1281 1.513,1282 1.072,1283 1.024,1284 1.319,1285 1.309,1286 0.376,1287 1.311,1288 0.93,1289 0.875,1290 1.193,1291 1.135,1292 0.251,1293 1.15,1294 0.69,1295 0.639,1296 0.968,1297 0.927,1298 0.061,1299 0.947,1300 3.932,1302 5.252,1304 6.779,1306 8.405,1308 10.081,1310 3.584,1314 9.946,1326 26.665,1327 54.952,1328 132.148,1329 161.858,1330 189.858,1331 199.367,1332 203.367,1333 39.782,1334 6.898,1335 50.19,1336 50.19,1337 18,1338 12.301,1339 4.322,1340 3.524,1341 36.889,1342 80,1343 68,1344 0.23,1345 165.95,1346 286.96,1347 396.678,1348 8877,1350 16.397,1351 0.713,1352 0.569,1353 16.397,1354 13.076,1355 11.059,1356 0.442,1357 0.297,1358 7.39,1359 10.856,1360 7.106,1361 5.962,1362 11.059,1363 7.434,1364 10.063,1365 0.288,1366 0.158,1367 10.063,1368 5.545,1369 8.236,1370 0.179,1371 0.083,1372 8.236,1373 3.81,1374 7.462,1375 0.124,1376 0.046,1377 7.462,1378 2.766,1379 5.07,1380 0.076,1381 0.024,1382 5.07,1383 1.623,1384 0.359,1385 67.914,1386 0.247,1387 22.475,1388 0.636,1389 120,1390 329.53,1391 126.372,1392 328.79,1393 450.49,1394 306,1395 141,1396 331.484,1397 146.818,1398 342.418,1399 497.27,1400 322,1401 5.179}
{0 CHEMBL1493256,1 1.44,2 7.765,3 2.125,4 4.517,5 61.789,6 8.81,7 0.667,8 3.314,9 3.415,10 3.029,11 2.985,12 4.692,13 2.978,14 3.727,15 3.866,16 3.291,17 3.285,18 4.956,19 3.26,20 3.945,21 4.134,22 3.335,23 3.361,24 5.259,25 3.311,26 3.908,27 4.14,28 3.164,29 3.216,30 5.252,31 3.148,32 3.695,33 3.913,34 2.998,35 3.029,36 5.114,37 2.975,38 3.54,39 3.763,40 2.791,41 2.879,42 4.8,43 2.824,44 3.311,45 3.513,46 2.628,47 2.71,48 4.697,49 2.659,50 3.015,51 3.209,52 2.357,53 2.4,54 4.588,55 2.356,56 0.011,57 0.359,58 2.928,59 1.727,60 7.119,61 1.972,62 0.031,63 0.545,64 5.331,65 2.776,66 11.561,67 3.266,68 0.133,69 0.694,70 8.24,71 3.668,72 25.063,73 4.547,74 0.125,75 0.647,76 9.787,77 3.972,78 31.863,79 5.267,80 0.093,81 0.528,82 7.36,83 2.972,84 36.863,85 3.768,86 0.097,87 0.452,88 6.358,89 2.34,90 27.209,91 2.748,92 0.067,93 0.357,94 4.592,95 1.805,96 18.151,97 2.08,98 0.042,99 0.266,100 3.222,101 1.297,102 14.279,103 1.483,104 9,105 23,106 0.278,107 0.611,108 0.694,109 0.769,110 0.805,111 0.821,112 2.907,113 0.839,114 -1.82,115 -1.88,116 -1.89,120 52,122 1,143 5,144 1,146 1,147 3,159 2,174 7,177 1,185 8,188 3,189 2,197 5,200 2,201 3,209 1,213 1,214 5,227 5,240 4,252 4,264 3,274 309,275 11.809,276 11.809,277 11.809,278 11.809,279 11.809,280 10.15,281 12.72,282 7.163,283 11.941,284 8.776,285 8.776,286 8.776,287 8.776,288 8.776,289 6.192,290 15.316,291 3.247,292 9.019,293 3.204,294 1.485,295 1.055,296 0.67,297 0.48,298 0.4,299 3.565,306 1,307 1,308 272,309 2.236,313 112.779,320 1.218,321 15.184,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 36,333 132,334 4.358,335 4.14,336 6.168,337 3.872,338 2.912,339 4.009,340 2.035,341 9.144,342 2.794,343 3.942,344 3.989,345 5.535,346 3.559,347 2.566,348 3.465,349 2.035,350 7.521,351 2.547,352 3.582,353 3.002,354 4.997,355 3.069,356 2.091,357 2.887,358 0.68,359 5.938,360 2.042,361 3.51,362 2.687,363 4.362,364 2.549,365 1.609,366 2.342,368 4.119,369 1.509,370 2.988,371 2.201,372 3.594,373 2.415,374 1.418,375 2.029,377 3.038,378 1.412,379 2.839,380 1.62,381 3.247,382 2,383 1,384 1.5,386 2.136,387 1,388 2.638,389 1.494,390 3.074,391 1.643,392 0.717,393 1.223,395 1.333,396 0.662,397 2.5,398 1,399 2.826,400 1.288,401 0.367,402 0.781,404 0.521,405 0.337,406 1.446,407 0.639,408 2.487,409 0.967,415 0.987,416 0.164,417 2.238,418 0.396,419 -0.549,420 -0.849,422 -1.043,423 -0.517,424 0.689,425 -0.349,426 1.78,427 0.136,428 -0.813,429 -1.278,431 -2.011,432 -0.772,433 0.5,434 -0.727,435 1.555,437 -1,438 -1.5,440 -2.347,441 -1,442 0.325,443 -1,444 1.32,445 -0.114,446 -1.097,447 -1.594,449 -2.784,450 -1.078,451 -0.195,452 -1.175,453 0.915,454 -0.621,455 -1.577,456 -2.119,458 -4.137,459 -1.498,460 -0.361,461 -1.256,462 0.766,463 -0.742,464 -1.721,465 -2.434,467 -4.789,468 -1.679,469 8.1,470 0.476,471 0.256,472 0.015,473 28.5,474 1.676,475 18,476 1.059,477 10.5,478 0.618,479 7.768,480 0.457,481 15.9,482 0.636,483 16.591,484 0.976,485 5.575,486 0.328,487 2.755,488 0.162,489 0.099,491 0.247,496 0.65,497 1.08,498 0.629,499 0.919,500 0.418,501 0.804,502 0.769,503 1.166,504 0.832,505 1.081,506 0.447,507 0.993,508 0.681,509 0.917,510 0.973,511 1.062,512 0.502,513 1.064,514 0.64,515 0.929,516 0.856,517 0.998,518 0.598,519 0.97,520 0.886,521 1.028,522 0.942,523 1.023,524 0.776,525 0.999,526 1.394,527 0.858,528 1.145,529 0.846,530 1.218,531 0.93,532 1.322,533 0.91,534 1.16,535 0.923,536 1.32,537 0.994,538 1.324,539 1.146,540 1.189,541 1.102,542 1.891,543 1.118,544 3,545 0.012,546 1.333,547 0.875,548 0.764,549 0.306,550 0.242,551 0.134,552 0.07,553 0.041,554 2298,555 7772,556 2.028,557 32,559 5,561 1,563 2,567 1.568,568 1.925,569 2.992,570 -0.75,574 1,575 35.991,576 1.44,577 3.159,578 3.589,579 3.974,580 4.164,581 4.244,582 2.469,583 3.455,584 4.059,585 3.073,586 417.882,587 6.857,588 3798.77,590 1,592 1,593 116.096,594 1.261,595 4.03,596 0.167,597 0.012,598 0.058,599 0.038,600 0.04,601 0.019,602 0.019,603 0.012,604 0.009,605 0.01,606 0.384,607 0.67,608 1,609 0.967,610 70.674,611 -0.016,612 -0.14,613 0.03,614 -0.062,615 0.093,616 -0.021,617 -0.038,618 -0.235,619 -0.052,620 -0.18,621 -0.006,622 -0.132,623 0.237,624 0.035,625 -0.037,626 -0.108,627 0.126,628 -0.114,629 0.281,630 -0.027,631 0.246,632 0.05,633 0.257,634 0.121,635 0.091,636 -0.092,637 0.105,638 -0.02,639 0.191,640 0.03,641 -0.317,642 0.123,643 -0.104,644 0.139,645 -0.273,646 0.072,647 -0.312,648 0.067,649 -0.188,650 0.035,651 -0.229,652 -0.036,653 -0.272,654 -0.162,655 -0.231,656 -0.167,657 -0.295,658 -0.187,659 1.593,660 2.836,661 0.706,662 11.225,663 1.007,664 1.113,665 0.593,666 0.352,667 0.742,668 2.944,669 3.178,670 3.401,671 3.584,672 3.738,673 3.611,674 3.638,675 3.638,676 3.526,677 3.367,678 4.668,679 0.726,680 220.25,681 2.944,682 4.419,683 5.231,684 6.066,685 6.895,686 7.736,687 8.57,688 9.413,689 10.249,690 11.094,691 16,700 2,701 2,709 6,710 2,714 4,716 12,718 2,738 25,739 14,740 1,741 18,743 26,744 13,745 10,746 1,747 5,752 2,753 2,766 1,767 2,768 10,769 1,786 1,789 8,790 4,792 4,797 4,803 1,813 1,823 2,855 2,862 17,869 1,877 2,882 2,884 2,893 8.833,894 4.8,895 4.028,896 1.449,898 2.559,899 1.433,900 0.958,901 3.103,902 8.475,903 3.367,904 3.85,905 4.443,906 4.977,907 5.493,908 5.518,909 5.837,910 6.09,911 6.423,912 6.577,913 1,914 23,915 6.166,917 2.507,918 8.039,919 11.394,921 8.754,924 2.539,925 43.167,926 0.001,929 94.169,930 103.622,931 95.69,936 103.622,937 94.169,938 95.69,940 2.535,941 47.381,942 78.546,943 82.622,945 82.398,947 94.169,948 199.312,952 94.169,956 81.971,957 83.77,958 33.571,960 94.169,961 95.69,962 103.622,965 94.169,966 13.99,967 56.429,968 33.203,969 95.69,970 94.169,971 95.69,972 103.622,973 0.552,974 0.332,975 0.181,976 0.094,977 10,978 4,979 0.077,980 2,982 1,983 2.982,984 110.308,986 12,987 65.487,993 10.805,994 4.882,995 2.455,997 95.69,998 11.314,999 8.029,1003 1.937,1006 293.481,1007 28,1020 25.174,1021 27.824,1022 0.31,1023 0.68,1024 0.773,1025 0.856,1026 0.897,1027 0.914,1028 4.564,1029 0.367,1030 5.165,1031 1.333,1032 3.85,1033 4.533,1034 2.917,1035 5.889,1036 3.794,1037 5.773,1039 6.666,1040 0.521,1041 3.219,1042 4.007,1044 6.629,1045 3.144,1046 7.054,1047 -0.549,1048 8.265,1050 5.352,1051 6.68,1052 4.248,1053 9.667,1054 5.239,1055 8.367,1056 -0.813,1057 9.924,1058 -1.043,1059 5.565,1060 7.026,1062 11.23,1063 5.42,1064 9.706,1065 -1,1066 11.621,1067 -2.011,1068 7.114,1069 9.074,1070 5.653,1071 13.748,1072 6.939,1073 11.065,1074 -1.097,1075 13.343,1076 -2.347,1077 7.739,1078 9.863,1080 15.657,1081 7.525,1082 12.441,1083 -1.577,1084 15.083,1085 -2.784,1086 9.023,1087 11.606,1088 7.07,1089 17.985,1090 8.778,1091 2.912,1092 -1.721,1093 16.836,1094 -4.137,1095 9.86,1096 12.643,1098 20.051,1099 9.57,1100 2.566,1101 9.144,1102 18.599,1103 -4.789,1104 11.018,1105 14.224,1106 8.49,1107 22.304,1108 10.697,1109 2.091,1110 7.521,1111 20.37,1112 4.009,1113 11.963,1114 15.405,1116 24.443,1117 11.595,1118 1.609,1119 5.938,1120 22.148,1121 3.465,1122 13.064,1123 16.896,1124 9.911,1125 26.666,1126 12.661,1127 1.418,1128 4.119,1129 23.931,1130 2.887,1131 14.064,1132 18.161,1134 28.841,1135 13.614,1136 1,1137 3.038,1138 25.719,1139 2.342,1140 15.14,1141 19.603,1142 11.331,1143 31.054,1144 14.652,1145 0.717,1146 2.136,1147 27.51,1148 2.029,1149 16.169,1150 20.918,1152 33.246,1153 15.634,1154 2355,1155 4431,1156 12.019,1157 18.546,1158 27.824,1159 30.684,1160 26.717,1161 25.323,1162 25.361,1163 36.473,1164 9.499,1165 67.499,1166 24.607,1167 5.106,1168 6.14,1169 5.97,1170 4.94,1171 4.912,1172 7.009,1173 4.069,1174 15.41,1175 4.794,1176 6.984,1177 1.546,1178 1.705,1179 1.484,1180 1.407,1181 1.409,1182 2.026,1183 0.528,1184 3.75,1185 1.367,1186 3.968,1187 4.005,1188 3.924,1189 3.887,1190 6.833,1191 3.886,1192 3.814,1193 3.852,1194 3.769,1195 3.696,1196 6.809,1197 3.716,1198 3.3,1199 3.35,1200 3.233,1201 3.188,1202 4.896,1203 3.191,1204 3.132,1205 3.193,1206 3.132,1207 2.911,1208 4.723,1209 2.961,1210 2.917,1211 2.987,1212 2.811,1213 2.763,1214 4.002,1215 2.767,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.745,1221 2.715,1222 2.481,1223 2.578,1224 2.366,1225 2.25,1226 3.674,1227 2.254,1228 2.306,1229 2.401,1230 2.228,1231 2.028,1232 3.39,1233 2.077,1234 0.242,1235 0.23,1236 0.343,1237 0.215,1238 0.162,1239 4.358,1240 0.223,1241 4.14,1242 0.113,1243 6.168,1244 0.508,1245 3.872,1246 0.155,1247 2.912,1248 4.009,1249 2.035,1250 9.144,1251 2.794,1252 1.936,1253 1.906,1254 2.055,1255 2.036,1256 1.186,1257 2.04,1258 1.763,1259 1.726,1260 1.823,1261 1.902,1262 0.84,1263 1.887,1264 1.281,1265 1.237,1266 1.444,1267 1.427,1268 0.499,1269 1.436,1270 1.002,1271 0.948,1272 1.181,1273 1.239,1274 0.218,1275 1.183,1276 0.886,1277 0.827,1278 1.102,1279 1.09,1280 0.07,1281 1.107,1282 0.886,1283 0.821,1284 0.987,1285 1.062,1287 1.087,1288 0.47,1289 0.369,1290 0.861,1291 0.741,1293 0.787,1294 0.176,1295 0.093,1296 0.381,1297 0.508,1299 0.463,1300 3.611,1302 4.86,1304 6.326,1306 7.885,1308 9.487,1315 0.605,1324 17.563,1325 3.718,1326 18.139,1327 35.991,1328 78.977,1329 89.732,1330 99.342,1331 104.096,1332 106.096,1333 23.793,1334 5.916,1335 73.36,1336 73.36,1337 12,1338 11.658,1339 3.907,1340 3.459,1341 28.457,1342 47,1343 41,1344 0.305,1345 118.587,1346 204.54,1347 281.113,1348 2256,1350 12.088,1351 0.711,1352 0.527,1353 12.088,1354 8.96,1355 8.33,1356 0.463,1357 0.28,1358 4.987,1359 8.115,1360 4.864,1361 4.075,1362 8.33,1363 5.033,1364 6.755,1365 0.294,1366 0.15,1367 6.755,1368 3.445,1369 5.689,1370 0.196,1371 0.078,1372 5.689,1373 2.262,1374 4.57,1375 0.131,1376 0.042,1377 4.57,1378 1.476,1379 3.544,1380 0.086,1381 0.023,1382 3.544,1383 0.937,1384 0.468,1385 51.55,1386 0.288,1387 17.226,1388 0.858,1389 82,1390 268.58,1391 87.162,1392 275.137,1393 366,1394 254,1395 93,1396 259.099,1397 98.606,1398 269.129,1399 380.15,1400 251,1401 4.742}
{0 CHEMBL1493442,1 1.827,2 11.667,3 3.026,4 9.155,5 104.878,6 9.186,7 0.531,8 3.962,9 4.051,10 3.681,11 3.393,12 5.337,13 3.45,14 4.421,15 4.538,16 4.028,17 3.729,18 5.966,19 3.796,20 4.583,21 4.712,22 4.059,23 3.812,24 5.985,25 3.868,26 4.67,27 4.817,28 4.081,29 3.79,30 6.137,31 3.837,32 4.601,33 4.743,34 4.037,35 3.749,36 6.262,37 3.793,38 4.614,39 4.78,40 3.904,41 3.733,42 6.018,43 3.761,44 4.493,45 4.631,46 3.984,47 3.662,48 6.099,49 3.734,50 4.519,51 4.656,52 3.94,53 3.601,54 6.046,55 3.681,56 0.365,57 0.688,58 5.744,59 3.499,60 19.237,61 3.629,62 0.747,63 0.993,64 12.316,65 5.399,66 94.48,67 5.712,68 0.841,69 1.117,70 14.595,71 6.322,72 65.355,73 6.204,74 1.104,75 1.108,76 18.996,77 7.166,78 116.256,79 7.929,80 1.186,81 1.051,82 17.384,83 6.276,84 127.372,85 7.074,86 1.105,87 1.042,88 19.995,89 6.633,90 155.693,91 7.266,92 0.877,93 0.982,94 14.741,95 5.493,96 104.615,97 5.889,98 0.957,99 0.934,100 15.941,101 5.662,102 110.024,103 5.69,104 59,105 45,106 0.309,107 0.632,108 0.736,109 0.81,110 0.847,111 0.847,112 3.44,113 0.785,114 -2.97,115 -2.97,116 -2.87,120 40,125 2,143 7,145 6,147 1,152 1,159 1,167 5,174 2,176 2,177 8,180 1,182 2,185 5,188 3,189 8,192 1,197 2,200 7,201 4,204 4,206 1,209 4,213 5,214 4,217 4,222 4,226 2,227 7,232 2,235 2,239 4,240 13,245 2,247 2,251 6,252 8,263 9,264 7,267 1,274 1582,275 19.627,276 19.627,277 19.627,278 19.627,279 19.627,280 16.86,281 31.372,282 11.388,283 20.151,284 15.724,285 15.724,286 15.724,287 15.724,288 15.724,289 11.438,290 45.624,291 5.352,292 16.469,293 3.665,294 1.748,295 1.137,296 0.7,297 0.478,298 0.478,299 4.116,306 1,307 1,308 729,309 4,312 93.604,313 214.343,320 1.867,321 53.237,324 0.75,325 0.83,326 0.83,327 0.3,329 0.67,330 0.5,331 0.55,332 69.5,333 350,334 4.527,335 3.837,336 6.646,337 4.103,338 3.131,339 4.259,340 2.612,341 10.608,342 3.037,343 4.345,344 3.784,345 6.065,346 3.88,347 2.918,348 4.059,349 2.612,350 8.912,351 2.806,352 4.048,353 3.532,354 5.589,355 3.604,356 2.653,357 3.644,358 1.058,359 7.569,360 2.516,361 3.862,362 3.095,363 5.534,364 3.381,365 2.414,366 3.335,367 0.86,368 7.147,369 2.329,370 3.74,371 2.813,372 5.316,373 3.248,374 2.313,375 3.196,376 0.86,377 6.707,378 2.161,379 3.576,380 2.63,381 5.134,382 3.078,383 2.127,384 2.886,386 6.078,387 2.013,388 3.442,389 2.514,390 4.938,391 3.01,392 2.049,393 2.73,395 5.687,396 1.952,397 3.187,398 2.072,399 4.804,400 2.766,401 1.807,402 2.425,404 5.344,405 1.723,406 2.798,407 1.789,408 3.979,409 2.13,410 1.141,411 1.838,413 2.892,414 1.126,415 2.669,416 1.744,417 3.714,418 2.049,419 1.047,420 1.618,422 2.631,423 1.044,424 2.5,425 1.149,426 3.527,427 2,428 1,429 1.5,431 2.275,432 1,433 2.269,434 1.063,435 3.414,436 1.695,437 0.727,438 1.097,440 1.99,441 0.7,442 1.748,443 1,444 3.039,445 1.453,446 0.589,447 0.659,449 1.012,450 0.504,451 1.249,452 1,453 2.787,454 0.899,460 1.168,461 1,462 2.627,463 0.784,464 -0.211,465 -0.274,467 -0.581,468 -0.207,469 13.333,470 0.444,471 0.911,472 0.03,473 45,474 1.5,475 25,476 0.833,477 20,478 0.667,479 18.844,480 0.628,481 32.867,482 0.73,483 39.004,484 1.3,485 9.312,486 0.31,487 4.949,488 0.165,489 0.2,491 0.39,496 0.527,497 1.195,498 0.586,499 1.057,500 0.53,501 0.904,502 0.799,503 1.215,504 0.672,505 0.984,506 0.442,507 0.816,508 1.06,509 1.075,510 1.009,511 1.122,512 0.727,513 1.054,514 0.916,515 0.948,516 0.925,517 1.066,518 1.052,519 1.042,520 0.733,521 0.956,522 0.91,523 0.959,524 0.772,525 0.987,526 1.145,527 0.994,528 1.067,529 0.9,530 1.36,531 0.942,532 0.949,533 1.156,534 0.855,535 1.067,536 0.722,537 0.941,538 1.217,539 1.041,540 1.032,541 1.087,542 1.321,543 1.016,544 8,545 0.193,546 2.889,547 2.41,548 2.176,549 0.819,550 0.843,551 0.47,552 0.508,553 0.429,554 11089,555 44539,556 1.974,557 33.3,559 13,560 1,562 1,567 1.732,568 1.8,569 3.496,570 -0.184,571 1,572 1,575 82.21,576 1.827,577 3.744,578 4.355,579 4.792,580 5.014,581 5.014,582 2.961,583 4.257,584 4.877,585 3.675,586 1598.82,587 8.526,588 22475.5,590 1,592 1,593 247.133,594 1.549,595 4.808,596 0.25,597 0.007,598 0.064,599 0.054,600 0.049,601 0.02,602 0.022,603 0.011,604 0.013,605 0.013,606 0.503,607 0.33,608 0.88,609 0.986,610 154.453,611 0.149,612 0.029,613 0.062,614 -0.02,615 -0.026,616 -0.034,617 0.022,618 -0.116,619 0.129,620 0.04,621 0.209,622 0.115,623 -0.192,624 0.006,625 -0.174,626 -0.13,627 -0.065,628 -0.136,629 0.057,630 0.037,631 0.034,632 -0.077,633 -0.088,634 -0.067,635 0.226,636 0.054,637 0.027,638 0.022,639 0.203,640 -0.031,641 -0.182,642 -0.048,643 -0.061,644 0.098,645 -0.251,646 0.077,647 -0.031,648 -0.114,649 0.045,650 -0.092,651 0.162,652 -0.005,653 -0.16,654 -0.054,655 -0.079,656 -0.129,657 -0.193,658 -0.092,659 2.742,660 5.458,661 0.567,662 29.831,663 1.049,664 1.134,665 1.74,666 3.027,667 0.667,668 3.497,669 3.829,670 4.043,671 4.29,672 4.477,673 4.466,674 4.543,675 4.635,676 4.754,677 4.868,678 6.949,679 0.683,680 413.38,681 3.497,682 5.043,683 5.878,684 6.756,685 7.611,686 8.489,687 9.353,688 10.231,689 11.099,690 11.977,691 11.1,698 1,699 1,701 1,702 2,709 8,710 1,714 7,715 1,716 17,723 1,731 2,735 2,738 45,739 22,740 2,741 32,743 47,744 18,745 15,746 5,747 7,748 1,752 3,753 3,768 16,769 2,772 5,775 2,778 5,782 1,786 1,789 15,790 9,791 1,792 12,797 5,803 1,804 7,814 1,822 1,823 2,855 3,859 2,862 30,871 1,872 2,886 15.6,889 1,891 2,892 4,893 16.667,894 8.883,895 6.611,896 2.312,898 3.206,899 1.437,900 0.939,901 6.299,902 10.543,903 3.839,904 4.469,905 4.969,906 5.527,907 6.002,908 6.133,909 6.405,910 6.731,911 7.106,912 7.517,913 0.875,914 45,915 11.075,917 4.81,918 8.394,919 19.558,921 15.138,924 2.894,925 86.833,928 1,929 164.795,930 126.123,931 47.79,933 148.639,936 126.123,937 313.434,938 47.79,939 30.62,940 18.011,941 75.381,942 46.513,943 50.534,944 11.771,945 153.024,946 101.494,947 164.795,948 173.913,949 148.639,952 164.795,953 47.145,954 101.494,956 22.544,957 123.366,958 28.003,960 164.795,961 196.429,962 126.123,965 164.795,966 31.462,967 107.777,968 18.011,969 165.302,970 164.795,971 196.429,972 126.123,973 0.586,974 0.334,975 0.176,976 0.101,977 20,978 11,979 0.149,980 7,982 1,983 4.015,984 259.108,986 17,987 139.207,993 21.234,994 8.9,995 5.126,997 183.312,998 11.229,999 3.778,1003 -0.174,1004 1.124,1005 18.011,1006 487.347,1007 45.5,1010 -1.396,1013 57.162,1017 -0.891,1020 47.218,1021 51.033,1022 0.333,1023 0.682,1024 0.793,1025 0.872,1026 0.913,1027 0.913,1028 5.07,1029 1.807,1030 5.883,1031 5.687,1032 4.511,1033 5.156,1034 3.353,1035 6.681,1036 4.426,1037 6.309,1038 1.141,1039 7.441,1040 5.344,1041 4.205,1042 5.13,1043 3.006,1044 7.542,1045 4.08,1046 7.633,1047 1.047,1048 9.091,1049 2.892,1050 6.103,1051 7.382,1052 4.876,1053 10.6,1054 5.935,1055 8.989,1056 1,1057 10.791,1058 2.631,1059 6.538,1060 8.101,1061 5.194,1062 12.25,1063 6.333,1064 10.369,1065 0.727,1066 12.524,1067 2.275,1068 7.955,1069 9.869,1070 6.646,1071 14.843,1072 7.717,1073 11.767,1074 0.589,1075 14.28,1076 1.99,1077 8.733,1078 10.929,1079 7.248,1080 16.863,1081 8.459,1082 13.179,1084 16.054,1085 1.012,1086 9.96,1087 12.504,1088 8.488,1089 19.29,1090 9.657,1091 3.131,1092 -0.211,1093 17.843,1095 10.907,1096 13.737,1097 9.241,1098 21.49,1099 10.571,1100 2.918,1101 10.608,1102 19.645,1103 -0.581,1104 12.058,1105 15.228,1106 10.363,1107 23.859,1108 11.695,1109 2.653,1110 8.912,1111 21.457,1112 4.259,1113 13.09,1114 16.551,1115 11.202,1116 26.141,1117 12.695,1118 2.414,1119 7.569,1120 23.28,1121 4.059,1122 14.213,1123 18.005,1124 12.256,1125 28.494,1126 13.791,1127 2.313,1128 7.147,1129 25.111,1130 3.644,1131 15.288,1132 19.376,1133 13.145,1134 30.814,1135 14.835,1136 2.127,1137 6.707,1138 26.949,1139 3.335,1140 16.404,1141 20.815,1142 14.161,1143 33.164,1144 15.923,1145 2.049,1146 6.078,1147 28.794,1148 3.196,1149 17.501,1150 22.213,1151 15.079,1152 35.502,1153 16.991,1154 11008,1155 22277,1156 20.403,1157 30.017,1158 48.453,1159 51.194,1160 50.273,1161 47.85,1162 47.834,1163 66.488,1164 16.006,1165 137.702,1166 45.822,1167 5.377,1168 5.837,1169 6.199,1170 5.176,1171 5.131,1172 7.259,1173 4.612,1174 17.575,1175 5.037,1176 19.234,1177 1.514,1178 1.6,1179 1.571,1180 1.495,1181 1.495,1182 2.078,1183 0.5,1184 4.303,1185 1.432,1186 4.058,1187 4.096,1188 4.034,1189 3.897,1190 7.818,1191 3.916,1192 3.977,1193 4.005,1194 3.951,1195 3.786,1196 7.812,1197 3.813,1198 3.87,1199 3.891,1200 3.819,1201 3.753,1202 7.429,1203 3.773,1204 3.528,1205 3.552,1206 3.513,1207 3.111,1208 6.999,1209 3.195,1210 3.471,1211 3.52,1212 3.439,1213 3.017,1214 6.999,1215 3.07,1216 3.312,1217 3.345,1218 3.243,1219 2.977,1220 4.96,1221 3.062,1222 3.228,1223 3.282,1224 3.079,1225 2.911,1226 4.867,1227 2.959,1228 2.924,1229 2.984,1230 2.789,1231 2.735,1232 4.738,1233 2.723,1234 0.141,1235 0.12,1236 0.208,1237 0.128,1238 0.098,1239 4.527,1240 0.133,1241 3.837,1242 0.082,1243 6.646,1244 0.332,1245 4.103,1246 0.095,1247 3.131,1248 4.259,1249 2.612,1250 10.608,1251 3.037,1252 1.927,1253 1.909,1254 2.007,1255 2.096,1256 1.095,1257 2.055,1258 1.839,1259 1.817,1260 1.94,1261 1.972,1262 1.025,1263 1.954,1264 1.64,1265 1.615,1266 1.754,1267 1.959,1268 0.815,1269 1.871,1270 1.482,1271 1.402,1272 1.621,1273 1.812,1274 0.645,1275 1.764,1276 1.222,1277 1.188,1278 1.567,1279 1.683,1280 0.572,1281 1.574,1282 1.193,1283 1.128,1284 1.313,1285 1.524,1286 0.265,1287 1.527,1288 1.066,1289 1.03,1290 1.193,1291 1.453,1292 0.218,1293 1.384,1294 0.886,1295 0.821,1296 1.181,1297 1.094,1298 0.167,1299 1.107,1300 4.174,1302 5.501,1303 2.398,1304 7,1305 4.727,1306 8.579,1307 6.823,1308 10.201,1310 2.94,1317 2.383,1318 10.679,1326 30.745,1327 82.21,1328 168.462,1329 195.972,1330 215.624,1331 225.624,1332 225.624,1333 84.22,1334 7.337,1335 157.02,1336 157.02,1337 17,1338 12.516,1339 4.524,1340 3.858,1341 55.144,1342 123,1343 146,1344 0.215,1345 190.996,1346 337.67,1347 457.791,1348 14802,1350 21.836,1351 0.728,1352 0.526,1353 21.836,1354 15.765,1355 14.261,1356 0.446,1357 0.262,1358 8.142,1359 13.184,1360 7.974,1361 6.651,1362 14.261,1363 8.373,1364 13.335,1365 0.296,1366 0.133,1367 13.335,1368 5.998,1369 10.283,1370 0.184,1371 0.069,1372 10.283,1373 3.876,1374 8.389,1375 0.117,1376 0.036,1377 8.389,1378 2.561,1379 6.869,1380 0.079,1381 0.018,1382 6.869,1383 1.597,1384 0.337,1385 93.388,1386 0.221,1387 28.313,1388 0.59,1389 154,1390 669.062,1391 181.51,1392 622.612,1393 812.75,1394 570,1395 178,1396 595.9,1397 205.353,1398 583.464,1399 834,1400 541,1401 5.051}
{0 CHEMBL1493508,1 1.354,2 9.278,3 2.608,4 6.802,5 74.451,6 6.16,7 0.316,8 3.738,9 3.883,10 3.137,11 3.251,12 4.663,13 3.188,14 4.32,15 4.54,16 3.417,17 3.629,18 5.183,19 3.524,20 4.605,21 4.87,22 3.359,23 3.744,24 5.417,25 3.588,26 4.607,27 4.91,28 3.154,29 3.626,30 5.387,31 3.424,32 4.416,33 4.72,34 3.095,35 3.419,36 5.241,37 3.253,38 4.214,39 4.472,40 2.999,41 3.244,42 5.213,43 3.13,44 4.118,45 4.396,46 2.887,47 3.173,48 5.031,49 3.043,50 3.96,51 4.197,52 2.721,53 3.167,54 4.851,55 3.014,56 0.044,57 0.567,58 9.742,59 3.807,60 4.953,61 5.627,62 0.173,63 0.904,64 17.472,65 6.12,66 14.482,67 9.384,68 0.216,69 1.072,70 23.012,71 7.681,72 24.377,73 11.833,74 0.275,75 0.975,76 22.674,77 7.882,78 29.751,79 11.871,80 0.156,81 0.782,82 18.636,83 6.399,84 22.744,85 9.615,86 0.213,87 0.668,88 15.947,89 4.512,90 27.576,91 7.014,92 0.171,93 0.609,94 14.2,95 4.315,96 22.973,97 6.676,98 0.138,99 0.555,100 12.052,101 4.297,102 19.758,103 6.283,104 5,105 24,106 0.247,107 0.537,108 0.724,109 0.793,110 0.793,111 0.793,112 2.958,113 1.078,114 -3.61,115 -3.59,116 -3.42,120 37.5,121 1,122 4,126 3,143 4,144 1,145 1,159 1,174 7,177 4,180 1,182 3,185 7,189 1,194 2,197 4,200 1,201 2,204 1,206 1,209 4,214 2,219 1,222 3,227 5,232 2,235 1,240 4,245 1,247 1,252 1,260 4,264 1,271 6,274 384,275 12.137,276 12.137,277 12.137,278 12.137,279 12.137,280 11.207,281 16.743,282 7.524,283 12.283,284 9.399,285 9.399,286 9.399,287 9.399,288 9.399,289 8.017,290 20.166,291 3.647,292 9.622,293 3.968,294 2.375,295 1.344,296 0.969,297 0.969,298 0.969,299 3.618,305 1,306 1,307 1,308 349,309 2.739,313 130.663,320 1.5,321 11.409,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 38,333 167,334 4.044,335 3.594,336 5.526,337 3.666,338 2.686,339 3.629,340 1.907,341 7.501,342 2.631,343 3.683,344 2.818,345 5.345,346 3.472,347 2.528,348 2.916,349 0.8,350 6.98,351 2.404,352 3.485,353 2.694,354 5.012,355 3.276,356 2.282,357 2.567,358 0.149,359 6.032,360 2.242,361 3.263,362 2.251,363 4.683,364 2.904,365 1.9,366 2.417,368 5.126,369 1.899,370 2.501,371 1.581,372 3.624,373 2.463,374 1.478,375 1.5,377 3.123,378 1.452,379 2.5,380 1.077,381 3.414,382 2,383 1,384 1.496,386 2.275,387 1,388 2,389 1.061,390 3.247,391 1.984,392 1,393 1,395 2.136,396 0.983,397 1.677,398 1,399 3.081,400 1.577,401 0.597,402 0.623,404 1.378,405 0.582,406 1.393,407 0.629,408 2.545,409 1.064,410 0.07,411 0.085,413 0.156,414 0.069,415 0.714,416 0.067,417 2,418 0.419,419 -0.556,420 -0.581,422 -1.283,423 -0.54,424 0.5,425 -0.255,426 1.916,427 0.34,428 -0.696,429 -0.863,431 -1.618,432 -0.714,433 0.494,434 -0.784,435 1.591,437 -1,438 -1,440 -2.347,441 -0.946,443 -0.853,444 1.555,445 -0.049,446 -1,447 -1.389,449 -2.937,450 -1,451 -0.03,452 -1,453 1.139,454 -0.199,455 -1.221,456 -1.5,458 -3,459 -1.24,460 -0.164,461 -1.076,462 1.08,463 -0.37,464 -1.353,465 -1.698,467 -3.306,468 -1.33,469 8.633,470 0.48,471 0.349,472 0.019,473 19,474 1.056,475 8,476 0.444,477 11,478 0.611,479 14.78,480 0.821,481 20.767,482 0.519,483 10.986,484 0.61,485 3.532,486 0.196,487 5.205,488 0.289,489 0.097,491 0.22,496 0.755,497 1.479,498 0.992,499 1.256,500 0.545,501 1.158,502 0.809,503 1.236,504 1.045,505 1.126,506 0.496,507 1.101,508 1.227,509 1.097,510 1.152,511 1.072,512 1.042,513 1.093,514 0.847,515 0.885,516 0.964,517 0.967,518 0.899,519 0.976,520 1.006,521 0.938,522 0.754,523 0.886,524 1.196,525 0.814,526 2.289,527 1.006,528 1.207,529 0.918,530 2.597,531 0.952,532 1.773,533 0.866,534 1.033,535 0.804,536 1.856,537 0.838,538 1.751,539 0.97,540 1.34,541 1.044,542 1.993,543 1.146,544 3.5,545 0.049,546 1.333,547 0.563,548 0.733,549 0.264,550 0.264,551 0.146,552 0.025,553 0.063,554 3099,555 5921,556 2.026,557 55,558 5,559 10,562 1,563 2,564 4,567 1.579,568 1.929,569 3.223,570 -0.334,572 1,574 1,575 54.166,576 1.354,577 2.947,578 3.978,579 4.353,580 4.353,581 4.353,582 2.711,583 3.197,584 4.144,585 3.341,586 511.136,587 6.992,588 5055.47,589 1,590 1,592 1,593 212.877,594 1.224,595 4.116,596 0.184,597 0.008,598 0.056,599 0.027,600 0.046,601 0.016,602 0.019,603 0.011,604 0.002,605 0.007,606 0.376,607 0.83,608 1,609 0.584,610 78.63,611 0.005,612 -0.17,613 0.044,614 -0.053,615 0.004,616 -0.01,617 0.087,618 -0.071,619 -0.03,620 -0.069,621 0.098,622 -0.062,623 -0.143,624 -0.059,625 -0.152,626 -0.098,627 -0.072,628 -0.12,629 0.121,630 0.039,631 -0.002,632 -0.031,633 0.061,634 -0.03,635 0.09,636 -0.063,637 0.213,638 0.05,639 0.089,640 0.131,641 -0.264,642 -0.02,643 -0.119,644 -0.019,645 -0.256,646 -0.049,647 -0.177,648 0.1,649 0.006,650 0.107,651 -0.12,652 0.081,653 -0.342,654 0.068,655 -0.314,656 -0.026,657 -0.315,658 -0.151,659 1.551,660 4.802,661 0.667,662 12.889,663 0.984,664 1.134,665 2.384,666 5.685,667 0.627,668 2.996,669 3.219,670 3.332,671 3.466,672 3.638,673 3.367,674 3.367,675 3.296,676 3.219,677 3.219,678 5.508,679 0.576,680 246.39,681 2.996,682 4.466,683 5.242,684 6.052,685 6.843,686 7.653,687 8.45,688 9.259,689 10.058,690 10.866,691 5,694 1,698 1,709 4,714 2,716 6,738 40,739 7,740 1,741 19,743 41,744 15,745 6,746 2,747 4,752 2,753 2,759 1,763 3,766 4,768 7,769 8,772 1,778 1,782 1,786 1,789 22,790 3,791 1,792 3,797 2,803 1,804 1,823 2,838 1,851 1,855 2,859 1,862 18,869 7,871 1,875 1,886 2.5,889 1,893 9.333,894 7.2,895 4.083,896 2.647,898 1.102,899 1.187,900 0.946,901 4.912,902 6.996,903 3.178,904 3.597,905 3.917,906 4.309,907 4.752,908 4.5,909 4.565,910 4.556,911 4.242,912 4.387,913 1,914 21,915 6.698,917 2.702,918 7.556,919 13.292,921 10.709,924 2.056,925 37,926 0.003,929 247.193,930 73.832,931 21.135,933 25.145,936 73.832,937 272.338,938 21.135,939 8.825,940 34.466,941 37.905,942 29.85,943 9.067,945 247.193,947 247.193,948 94.967,949 25.145,952 200.109,953 72.229,956 46.416,957 48.552,960 247.193,961 46.28,962 73.832,965 247.193,966 27.102,967 49.855,968 18.011,969 25.145,970 247.193,971 46.28,972 73.832,973 0.561,974 0.3,975 0.15,976 0.087,977 10,978 4,979 0.098,980 4,982 1,983 3.2,984 113.804,986 12,987 67.059,993 13.255,994 6.671,995 4.552,997 46.28,998 7.933,1003 2.102,1005 18.011,1006 367.306,1007 23,1013 11.802,1017 0.115,1020 39.367,1021 45.358,1022 0.254,1023 0.554,1024 0.747,1025 0.818,1026 0.818,1027 0.818,1028 4.363,1029 0.597,1030 5.165,1031 2.136,1032 3.892,1033 4.277,1034 2.08,1035 5.802,1036 3.847,1037 5.478,1038 0.07,1039 6.613,1040 1.378,1041 3.219,1042 3.829,1043 1.668,1044 6.293,1045 3.146,1046 6.711,1047 -0.556,1048 8.149,1049 0.156,1050 5.323,1051 6.197,1052 2.929,1053 9.278,1054 5.221,1055 7.968,1056 -0.696,1057 9.732,1058 -1.283,1059 5.398,1060 6.496,1061 3.047,1062 10.533,1063 5.262,1064 9.254,1065 -1,1066 11.345,1067 -1.618,1068 6.969,1069 8.396,1070 4.042,1071 12.984,1072 6.807,1073 10.557,1074 -1,1075 12.976,1076 -2.347,1077 7.419,1078 9.054,1079 4.412,1080 14.582,1081 7.221,1082 11.873,1083 -1.221,1084 14.621,1085 -2.937,1086 8.723,1087 10.74,1088 5.251,1089 16.803,1090 8.502,1091 2.686,1092 -1.353,1093 16.274,1094 -3,1095 9.385,1096 11.607,1097 5.75,1098 18.581,1099 9.129,1100 2.528,1101 7.501,1102 17.935,1103 -3.306,1104 10.542,1105 13.169,1106 6.501,1107 20.69,1108 10.265,1109 2.282,1110 6.98,1111 19.6,1112 3.629,1113 11.329,1114 14.17,1115 7.068,1116 22.567,1117 11.02,1118 1.9,1119 6.032,1120 21.27,1121 2.916,1122 12.403,1123 15.651,1124 7.771,1125 24.619,1126 12.073,1127 1.478,1128 5.126,1129 22.943,1130 2.567,1131 13.265,1132 16.743,1133 8.374,1134 26.55,1135 12.905,1136 1,1137 3.123,1138 24.619,1139 2.417,1140 14.292,1141 18.166,1142 9.051,1143 28.575,1144 13.913,1145 1,1146 2.275,1147 26.298,1148 1.5,1149 15.199,1150 19.32,1151 9.674,1152 30.536,1153 14.793,1154 3090,1155 4358,1156 12.712,1157 25.08,1158 27.3,1159 27.952,1160 27.481,1161 27.097,1162 27.082,1163 32.466,1164 5.712,1165 69.412,1166 26.524,1167 5.044,1168 5.594,1169 5.328,1170 4.701,1171 4.686,1172 6.629,1173 3.306,1174 12.985,1175 4.631,1176 7.202,1177 1.437,1178 1.471,1179 1.446,1180 1.426,1181 1.425,1182 1.709,1183 0.301,1184 3.653,1185 1.396,1186 3.946,1187 3.988,1188 3.875,1189 3.864,1190 7.429,1191 3.861,1192 3.85,1193 3.912,1194 3.722,1195 3.699,1196 4.758,1197 3.695,1198 3.579,1199 3.629,1200 3.47,1201 3.403,1202 4.33,1203 3.409,1204 3.232,1205 3.317,1206 3.066,1207 3.054,1208 4.03,1209 3.044,1210 3.111,1211 3.206,1212 2.871,1213 2.941,1214 3.799,1215 2.91,1216 3.046,1217 3.127,1218 2.866,1219 2.799,1220 3.674,1221 2.81,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.508,1227 2.715,1228 2.736,1229 2.851,1230 2.467,1231 2.464,1232 3.474,1233 2.451,1234 0.213,1235 0.189,1236 0.291,1237 0.193,1238 0.141,1239 4.044,1240 0.191,1241 3.594,1242 0.1,1243 5.526,1244 0.395,1245 3.666,1246 0.138,1247 2.686,1248 3.629,1249 1.907,1250 7.501,1251 2.631,1252 1.917,1253 1.887,1254 2.064,1255 2.039,1256 1.414,1257 2.05,1258 1.833,1259 1.769,1260 2.036,1261 2,1262 1.139,1263 2.014,1264 1.546,1265 1.494,1266 1.782,1267 1.751,1268 1.064,1269 1.762,1270 1.228,1271 1.15,1272 1.541,1273 1.462,1274 0.825,1275 1.49,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.622,1281 1.429,1282 1.006,1283 0.924,1284 1.322,1285 1.293,1286 0.557,1287 1.31,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.727,1295 0.619,1296 1.096,1297 1.05,1298 0.179,1299 1.082,1300 3.664,1302 4.905,1304 6.33,1306 7.828,1308 9.361,1310 2.044,1315 7.673,1317 2.943,1321 2.387,1326 23.026,1327 54.166,1328 117.88,1329 159.103,1330 174.122,1331 174.122,1332 174.122,1333 27.293,1334 5.894,1335 32.34,1336 32.34,1337 12,1338 11.458,1339 3,1340 2.322,1341 31.276,1342 59,1343 52,1344 0.256,1345 145.744,1346 252.67,1347 347.375,1348 2425,1350 12.795,1351 0.711,1352 0.617,1353 12.795,1354 11.115,1355 8.737,1356 0.46,1357 0.359,1358 6.765,1359 8.495,1360 6.571,1361 5.493,1362 8.737,1363 6.828,1364 7.548,1365 0.315,1366 0.211,1367 7.548,1368 5.067,1369 5.664,1370 0.21,1371 0.127,1372 5.664,1373 3.439,1374 4.248,1375 0.137,1376 0.074,1377 4.248,1378 2.303,1379 3.501,1380 0.095,1381 0.045,1382 3.501,1383 1.675,1384 0.409,1385 54.021,1386 0.28,1387 18.677,1388 0.672,1389 86,1390 207.714,1391 92.35,1392 203.032,1393 272.12,1394 190,1395 94,1396 192.003,1397 99.991,1398 196.048,1399 278.36,1400 184,1401 5.344}
{0 CHEMBL1493545,1 1.927,2 8.8,3 1.258,4 1.583,5 67.876,6 8.976,7 0.524,8 3.574,9 3.685,10 3.269,11 3.015,12 4.93,13 3.061,14 4.047,15 4.198,16 3.621,17 3.342,18 5.552,19 3.386,20 4.241,21 4.422,22 3.598,23 3.393,24 5.641,25 3.423,26 4.277,27 4.465,28 3.521,29 3.351,30 5.698,31 3.363,32 4.204,33 4.415,34 3.445,35 3.149,36 5.694,37 3.186,38 4.064,39 4.239,40 3.227,41 2.995,42 5.793,43 3.04,44 3.739,45 3.933,46 3.114,47 2.959,48 5.235,49 2.96,50 3.709,51 3.877,52 3.037,53 2.934,54 5.143,55 2.93,56 0.218,57 0.55,58 4.223,59 2.302,60 18.459,61 2.637,62 0.441,63 0.811,64 8.732,65 3.732,66 60.762,67 4.474,68 0.666,69 0.887,70 12.414,71 4.059,72 71.011,73 4.543,74 0.651,75 0.78,76 13.664,77 4.657,78 91.162,79 5.657,80 0.72,81 0.609,82 15.39,83 4.144,84 96.802,85 5.515,86 0.862,87 0.548,88 12.935,89 3.048,90 150.2,91 3.179,92 0.421,93 0.523,94 8.561,95 3.008,96 74.033,97 3.833,98 0.343,99 0.529,100 6.647,101 2.778,102 34.578,103 3.154,104 27,105 29,106 0.361,107 0.727,108 0.802,109 0.827,110 0.827,111 0.827,112 3.057,113 0.813,114 -3.52,115 -3.49,116 -3.33,120 38.7,121 1,126 1,143 4,145 2,146 1,154 1,159 1,162 1,167 2,174 2,176 3,177 2,180 1,182 2,185 2,188 4,192 1,194 2,197 2,200 2,201 3,213 2,214 7,217 2,219 1,226 2,227 2,230 2,240 4,247 2,252 8,260 2,264 4,274 478,275 12.93,276 12.93,277 12.93,278 12.93,279 12.93,280 11.021,281 16.306,282 7.568,283 13.243,284 10.328,285 10.328,286 10.328,287 10.328,288 10.328,289 7.536,290 19.986,291 3.584,292 10.853,293 3.027,294 1.072,295 0.67,296 0.54,297 0.54,298 0.54,299 3.708,306 1,307 1,308 361,309 3.24,312 62.056,313 70.371,320 1.34,321 35.865,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46.5,333 176,334 4.505,335 3.823,336 6.632,337 4.036,338 3.109,339 4.242,340 2.612,341 10.523,342 2.883,343 4.041,344 3.608,345 5.534,346 3.634,347 2.665,348 3.628,349 1.953,350 7.489,351 2.575,352 3.77,353 2.939,354 5.401,355 3.287,356 2.315,357 3.225,358 0.263,359 6.478,360 2.243,361 3.603,362 2.903,363 5.014,364 3.115,365 2.17,366 2.88,368 5.973,369 2.045,370 3.268,371 2.391,372 4.705,373 2.852,374 1.879,375 2.486,377 5.144,378 1.8,379 2.709,380 1.757,381 4.071,382 2.131,383 1.191,384 1.71,386 3.168,387 1.116,388 2.569,389 1.413,390 3.662,391 2.036,392 1.076,393 1.58,395 2.559,396 1.029,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 1.416,407 1,408 2.938,409 1.093,410 0.168,411 0.199,413 0.405,414 0.153,415 1.206,416 0.798,417 2.323,418 0.829,419 -0.135,420 -0.168,422 -0.313,423 -0.127,424 1,425 0.538,426 2,427 0.29,428 -0.649,429 -0.771,431 -1.59,432 -0.588,433 0.708,434 0.148,435 2,436 0.16,437 -0.865,438 -1.126,440 -2,441 -0.877,442 0.5,443 -0.217,444 1.849,446 -1,447 -1.5,449 -2.13,450 -1,451 0.418,452 -0.835,453 1.662,455 -1,456 -1.62,458 -3,459 -1,460 0.11,461 -0.946,462 1.436,463 -0.316,464 -1.259,465 -1.712,467 -3.133,468 -1.187,469 8.886,470 0.444,471 0.617,472 0.031,473 28.5,474 1.425,475 15,476 0.75,477 13.5,478 0.675,479 11.673,480 0.584,481 22.314,482 0.72,483 20.66,484 1.033,485 5.978,486 0.299,487 3.491,488 0.175,489 0.201,491 0.371,494 1,496 0.512,497 1.244,498 0.6,499 1.098,500 0.521,501 0.941,502 0.571,503 1.15,504 0.655,505 1.091,506 0.478,507 0.952,508 1.024,509 0.95,510 1.141,511 0.921,512 0.944,513 1.018,514 0.96,515 1.071,516 1.082,517 1.268,518 0.947,519 1.234,520 0.895,521 0.637,522 0.817,523 0.893,524 1.029,525 0.855,526 1.461,527 0.655,528 1.406,529 0.601,530 1.522,531 0.885,532 0.634,533 0.95,534 0.7,535 0.887,536 0.575,537 0.84,538 0.936,539 1.117,540 1.177,541 1.338,542 0.869,543 1.349,544 5,545 0.078,546 2.444,547 1.569,548 1.267,549 0.5,550 0.371,551 0.234,552 0.153,553 0.138,554 3574,555 15387,556 1.938,557 35.5,559 6,561 1,562 1,563 3,567 1.616,568 1.765,569 3.107,570 -0.124,572 1,574 1,575 59.752,576 1.927,577 3.883,578 4.285,579 4.414,580 4.414,581 4.414,582 2.528,583 3.822,584 4.296,585 3.265,586 620.318,587 7.331,588 6444.12,590 1,593 153.58,594 1.559,595 4.219,596 0.238,597 0.013,598 0.084,599 0.058,600 0.053,601 0.023,602 0.022,603 0.014,604 0.01,605 0.014,606 0.529,607 0.5,608 1,609 0.932,610 89.164,611 0.074,612 -0.173,613 0.038,614 -0.055,615 -0.022,616 -0.041,617 0.121,618 -0.151,619 0.126,620 -0.091,621 0.149,622 -0.013,623 -0.143,624 0.095,625 -0.259,626 0.007,627 -0.131,628 -0.121,629 -0.097,630 -0.182,631 -0.139,632 -0.298,633 -0.082,634 -0.246,635 0.039,636 0.032,637 0.256,638 0.021,639 -0.036,640 0.167,641 -0.231,642 0.115,643 -0.356,644 0.267,645 -0.15,646 -0.003,647 0.151,648 -0.025,649 0.252,650 0.157,651 0.181,652 0.229,653 -0.097,654 0.014,655 -0.329,656 -0.302,657 -0.099,658 -0.381,659 2.606,660 4.816,661 0.55,662 13.5,663 1.046,664 1.149,665 2.287,666 5.23,667 0.657,668 3.091,669 3.401,670 3.584,671 3.784,672 3.871,673 3.714,674 3.611,675 3.611,676 3.611,677 3.664,678 5.317,679 0.668,680 278.27,681 3.091,682 4.615,683 5.434,684 6.297,685 7.138,686 8.001,687 8.851,688 9.714,689 10.567,690 11.431,691 12.9,698 1,699 1,701 1,702 1,709 5,710 1,714 4,715 1,716 11,731 1,737 1,738 31,739 14,740 1,741 21,743 32,744 12,745 9,746 2,747 4,752 2,753 2,759 1,768 10,769 2,772 3,775 1,778 3,782 1,785 1,786 1,787 1,789 11,790 6,791 1,792 8,794 1,797 4,803 1,804 3,822 1,823 1,838 1,855 2,859 1,861 1,862 20,869 1,871 1,885 1,886 9.7,889 1,892 2,893 11.333,894 5.91,895 4.417,896 1.65,898 2.148,899 1.349,900 0.943,901 4.105,902 8.31,903 3.418,904 4.021,905 4.473,906 4.995,907 5.322,908 5.308,909 5.21,910 5.377,911 5.621,912 5.873,913 0.833,914 27,915 7.374,917 3.163,918 8.517,919 13.044,921 10.076,924 3.017,925 60.333,929 117.711,930 79.122,931 42.365,933 75.892,934 14.96,936 79.122,937 193.603,938 57.326,939 14.495,940 20.116,941 37.905,942 60.734,943 25.152,944 14.96,945 105.94,946 50.747,947 117.711,948 121.487,949 90.852,952 132.671,953 25.145,954 50.747,956 44.544,957 54.487,958 22.456,960 132.671,961 118.257,962 79.122,965 117.711,966 23.344,967 63.347,968 18.011,969 107.637,970 117.711,971 133.217,972 79.122,973 0.586,974 0.328,975 0.17,976 0.093,977 13,978 7,979 0.125,980 4,982 1,983 3.181,984 140.253,986 11,987 80.439,993 14.156,994 5.8,995 3.407,997 125.648,998 6.326,999 3.801,1003 0.114,1004 1.193,1005 18.011,1006 330.05,1007 29.5,1010 -0.606,1013 33.383,1017 -0.458,1020 32.436,1021 35.622,1022 0.389,1023 0.784,1024 0.865,1025 0.891,1026 0.891,1027 0.891,1028 4.632,1029 1,1030 5.434,1031 2.559,1032 4.078,1033 4.705,1034 2.933,1035 6.213,1036 3.98,1037 5.861,1038 0.168,1039 6.984,1040 2.275,1041 3.761,1042 4.649,1043 2.675,1044 7.086,1045 3.599,1046 7.177,1047 -0.135,1048 8.631,1049 0.405,1050 5.645,1051 6.899,1052 4.421,1053 10.139,1054 5.433,1055 8.525,1056 -0.649,1057 10.333,1058 -0.313,1059 6.089,1060 7.613,1061 4.72,1062 11.854,1063 5.794,1064 9.9,1065 -0.865,1066 12.072,1067 -1.59,1068 7.498,1069 9.376,1070 6.106,1071 14.449,1072 7.157,1073 11.294,1074 -1,1075 13.839,1076 -2,1077 8.292,1078 10.445,1079 6.682,1080 16.534,1081 7.858,1082 12.704,1083 -1,1084 15.627,1085 -2.13,1086 9.516,1087 12.016,1088 7.886,1089 18.972,1090 9.031,1091 3.109,1092 -1.259,1093 17.433,1094 -3,1095 10.479,1096 13.262,1097 8.62,1098 21.216,1099 9.899,1100 2.665,1101 10.523,1102 19.254,1103 -3.133,1104 11.632,1105 14.752,1106 9.722,1107 23.599,1108 10.992,1109 2.315,1110 7.489,1111 21.087,1112 4.242,1113 12.678,1114 16.088,1115 10.549,1116 25.908,1117 11.945,1118 2.17,1119 6.478,1120 22.93,1121 3.628,1122 13.806,1123 17.544,1124 11.593,1125 28.271,1126 13.005,1127 1.879,1128 5.973,1129 24.781,1130 3.225,1131 14.892,1132 18.927,1133 12.475,1134 30.606,1135 14.002,1136 1.191,1137 5.144,1138 26.64,1139 2.88,1140 16.014,1141 20.37,1142 13.484,1143 32.963,1144 15.05,1145 1.076,1146 3.168,1147 28.505,1148 2.486,1149 17.12,1150 21.779,1151 14.399,1152 35.308,1153 16.071,1154 3666,1155 7717,1156 13.235,1157 20.369,1158 31.474,1159 32.949,1160 33.027,1161 31.14,1162 31.145,1163 42.901,1164 9.657,1165 88.029,1166 29.687,1167 5.382,1168 5.823,1169 6.047,1170 5.087,1171 5.109,1172 7.242,1173 4.612,1174 17.368,1175 4.883,1176 12.107,1177 1.499,1178 1.569,1179 1.573,1180 1.483,1181 1.483,1182 2.043,1183 0.46,1184 4.192,1185 1.414,1186 4.045,1187 4.097,1188 4.019,1189 3.843,1190 8.201,1191 3.863,1192 3.903,1193 3.936,1194 3.854,1195 3.765,1196 7.815,1197 3.795,1198 3.522,1199 3.55,1200 3.486,1201 3.21,1202 7.429,1203 3.255,1204 3.393,1205 3.439,1206 3.333,1207 3.026,1208 6.999,1209 3.089,1210 2.968,1211 3.059,1212 2.857,1213 2.735,1214 4.872,1215 2.748,1216 2.903,1217 2.974,1218 2.706,1219 2.73,1220 4.662,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.587,1226 3.849,1227 2.645,1228 2.535,1229 2.607,1230 2.406,1231 2.18,1232 3.722,1233 2.223,1234 0.215,1235 0.182,1236 0.316,1237 0.192,1238 0.148,1239 4.505,1240 0.202,1241 3.823,1242 0.124,1243 6.632,1244 0.501,1245 4.036,1246 0.137,1247 3.109,1248 4.242,1249 2.612,1250 10.523,1251 2.883,1252 1.882,1253 1.854,1254 1.986,1255 2.038,1256 1.065,1257 2.005,1258 1.69,1259 1.639,1260 1.819,1261 1.973,1262 0.989,1263 1.92,1264 1.465,1265 1.411,1266 1.64,1267 1.773,1268 0.688,1269 1.724,1270 1.282,1271 1.235,1272 1.461,1273 1.573,1274 0.46,1275 1.552,1276 0.886,1277 0.821,1278 1.181,1279 1.239,1280 0.218,1281 1.176,1282 0.87,1283 0.81,1284 1.105,1285 1.138,1286 0.142,1287 1.145,1288 0.801,1289 0.739,1290 0.972,1291 1.062,1293 1.107,1294 0.516,1295 0.457,1296 0.729,1297 0.866,1299 0.818,1300 3.761,1302 5.069,1303 2.398,1304 6.547,1305 4.727,1306 8.103,1307 6.804,1308 9.701,1310 1.568,1312 12.724,1315 -0.237,1317 2.524,1326 20.721,1327 59.752,1328 120.361,1329 132.825,1330 136.825,1331 136.825,1332 136.825,1333 50.426,1334 6.161,1335 92.74,1336 92.74,1337 11,1338 11.98,1339 3.907,1340 3.248,1341 36.498,1342 64,1343 64,1344 0.285,1345 130.964,1346 227.6,1347 311.312,1348 3195,1349 3.2,1350 14.698,1351 0.735,1352 0.527,1353 13.828,1354 10.538,1355 9.469,1356 0.451,1357 0.271,1358 5.549,1359 8.809,1360 5.441,1361 4.516,1362 9.075,1363 5.691,1364 8.829,1365 0.304,1366 0.14,1367 8.207,1368 4.062,1369 6.638,1370 0.19,1371 0.076,1372 6.227,1373 2.651,1374 5.235,1375 0.122,1376 0.039,1377 5.093,1378 1.675,1379 4.02,1380 0.086,1381 0.021,1382 3.729,1383 0.986,1384 0.445,1385 61.557,1386 0.275,1387 19.996,1388 0.787,1389 100,1390 464.586,1391 118.855,1392 413.489,1393 529.88,1394 378,1395 114,1396 375.574,1397 131.8,1398 363.845,1399 519.83,1400 339,1401 4.91}
{0 CHEMBL1493936,1 1.945,2 10.32,3 4.646,4 21.585,5 101.788,6 11.083,7 0.571,8 3.716,9 3.776,10 3.701,11 3.453,12 4.974,13 3.405,14 4.16,15 4.227,16 4.149,17 3.817,18 5.448,19 3.764,20 4.296,21 4.405,22 4.038,23 3.802,24 5.567,25 3.729,26 4.265,27 4.371,28 4.181,29 3.78,30 5.697,31 3.707,32 4.226,33 4.332,34 3.985,35 3.721,36 5.625,37 3.643,38 4.127,39 4.273,40 3.635,41 3.544,42 5.401,43 3.438,44 3.907,45 4.065,46 3.557,47 3.369,48 5.102,49 3.267,50 3.828,51 3.958,52 3.578,53 3.372,54 5.061,55 3.262,56 0.103,57 0.465,58 1.775,59 2.528,60 8.055,61 2.348,62 0.239,63 0.805,64 5.732,65 4.465,66 7.869,67 3.893,68 0.35,69 0.847,70 15.217,71 6.643,72 26.834,73 5.651,74 0.419,75 0.874,76 13.787,77 6.362,78 46.104,79 4.943,80 0.462,81 0.776,82 12.038,83 5.947,84 33.678,85 5.317,86 0.36,87 0.739,88 14.594,89 6.006,90 40.4,91 5.189,92 0.27,93 0.586,94 9.532,95 4.484,96 24.173,97 4.464,98 0.186,99 0.562,100 11.637,101 4.638,102 16.153,103 4.211,104 10,105 40,106 0.346,107 0.679,108 0.824,109 0.903,110 0.914,111 0.914,112 3.267,113 0.993,114 -4.7,115 -4.62,116 -4.34,120 48.6,136 1,139 1,143 6,144 1,145 1,146 1,152 1,153 2,159 1,160 1,163 1,174 5,176 2,177 7,180 1,182 1,185 9,189 5,197 8,200 1,201 4,204 2,206 2,209 7,213 2,214 5,222 7,227 2,230 1,232 1,235 4,239 1,240 4,245 1,247 5,252 5,257 1,260 2,264 3,269 2,271 3,274 849,275 16.947,276 16.947,277 16.947,278 16.947,279 16.947,280 14.638,281 11.098,282 9.909,283 17.672,284 13.833,285 13.833,286 13.833,287 13.833,288 13.833,289 10.288,290 11.706,291 4.725,292 15.078,293 3.185,294 1.315,295 0.5,296 0.057,299 3.96,303 1,306 1,307 1,308 568,309 2.345,312 211.172,313 85.668,320 1.613,321 27.698,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.833,333 258,334 4.485,335 4.722,336 6.859,337 4.143,338 3.234,339 4.025,340 3.647,341 11.323,342 2.972,343 4.314,344 3.45,345 6.205,346 3.931,347 2.941,348 3.842,349 1.186,350 9.319,351 2.887,352 3.959,353 3.253,354 5.784,355 3.49,356 2.551,357 3.507,358 0.449,359 7.907,360 2.409,361 3.785,362 3.037,363 5.309,364 3.264,365 2.366,366 3.276,368 6.758,369 2.095,370 3.466,371 2.75,372 5.01,373 2.991,374 2.08,375 2.745,377 5.838,378 1.845,379 3.291,380 2.501,381 4.941,382 2.761,383 1.851,384 2.476,386 5.322,387 1.641,388 2.955,389 2.212,390 4.505,391 2.423,392 1.521,393 2.027,395 4.178,396 1.336,397 2.741,398 1.545,399 4.11,400 2.264,401 1.317,402 1.829,404 3.442,405 1.202,406 2.557,407 1.449,408 3.474,409 2.067,410 1.078,411 1.568,413 2.508,414 1.06,415 2.424,416 1.09,417 3.427,418 1.849,419 0.914,420 1.312,422 2.214,423 0.835,424 2.167,425 0.839,426 3.273,427 1.673,428 0.676,429 1.004,431 1.663,432 0.673,433 2.118,434 0.682,435 3,436 1.416,437 0.618,438 0.927,440 1.372,441 0.486,442 1.431,443 0.618,444 2.948,445 0.915,446 -0.043,447 -0.058,449 -0.12,450 -0.04,451 1.164,452 0.406,453 2.464,454 0.583,455 -0.348,456 -0.478,458 -0.853,459 -0.254,460 0.942,461 0.209,462 2.392,463 0.428,464 -0.406,465 -0.518,467 -0.933,468 -0.315,469 12.748,470 0.51,471 0.644,472 0.026,473 35.5,474 1.42,475 19,476 0.76,477 16.5,478 0.66,479 18.421,480 0.737,481 24.452,482 0.699,483 23.891,484 0.956,485 6.817,486 0.273,487 5.297,488 0.212,489 0.114,491 0.345,496 0.761,497 0.997,498 0.605,499 0.71,500 0.691,501 0.67,502 0.701,503 1.087,504 0.77,505 1.018,506 0.618,507 0.86,508 1.276,509 1.101,510 1.12,511 1.106,512 1.056,513 1.028,514 1.106,515 0.938,516 0.781,517 0.916,518 0.987,519 0.88,520 0.989,521 0.949,522 0.968,523 1.003,524 1.11,525 1.006,526 1.252,527 0.983,528 1.211,529 1.091,530 1.436,531 1.172,532 0.891,533 0.877,534 0.819,535 0.843,536 0.952,537 0.957,538 0.976,539 1.093,540 1.207,541 1.181,542 0.847,543 1,544 5,545 0.107,546 2.667,547 2.292,548 1.237,549 0.772,550 0.432,551 0.209,552 0.216,553 0.179,554 7661,555 27737,556 2.13,557 28.6,559 7,560 1,561 1,562 1,567 1.677,568 2,569 3.357,570 -0.238,575 68.064,576 1.945,577 3.814,578 4.629,579 5.072,580 5.129,581 5.129,582 2.774,583 4.244,584 4.617,585 3.522,586 1056.62,587 7.968,588 12844.7,590 1,593 179.525,594 1.388,595 4.579,596 0.179,597 0.007,598 0.067,599 0.064,600 0.034,601 0.023,602 0.018,603 0.01,604 0.01,605 0.009,606 0.42,607 0.33,608 1,609 0.553,610 121.024,611 -0.092,612 -0.054,613 0.01,614 0.042,615 -0.128,616 0.032,617 0.118,618 -0.095,619 0.006,620 -0.149,621 0.002,622 -0.103,623 -0.207,624 -0.157,625 -0.161,626 -0.14,627 -0.1,628 -0.095,629 0.049,630 0.057,631 0.144,632 0.057,633 0.156,634 0.024,635 0.161,636 -0.019,637 -0.058,638 -0.044,639 0.058,640 -0.071,641 -0.194,642 -0.023,643 -0.24,644 -0.101,645 -0.194,646 -0.141,647 0.027,648 0.066,649 0.083,650 0.104,651 -0.068,652 0.1,653 -0.112,654 -0.092,655 -0.122,656 -0.08,657 -0.001,658 0.031,659 1.939,660 5.544,661 0.84,662 21.955,663 1.028,664 1.096,665 3.472,666 12.053,667 0.804,668 3.367,669 3.714,670 4.007,671 4.304,672 4.382,673 4.454,674 4.585,675 4.644,676 4.727,677 4.812,678 6.249,679 0.766,680 387.89,681 3.367,682 4.92,683 5.784,684 6.676,685 7.554,686 8.45,687 9.334,688 10.231,689 11.119,690 12.016,691 8.6,698 1,700 1,701 1,709 8,710 1,712 1,713 1,714 5,716 16,737 1,738 35,739 19,740 1,741 28,743 38,744 17,745 13,746 2,747 4,748 3,752 4,753 4,754 1,768 17,772 3,777 1,778 1,780 1,782 3,786 1,788 1,789 10,790 5,791 1,792 8,793 3,797 3,803 1,804 2,822 3,823 1,839 1,845 2,855 4,856 1,857 2,860 1,862 25,873 1,875 1,879 1,885 1,886 5.7,889 1,891 1,893 12.5,894 6.46,895 5.389,896 1.907,898 3.32,899 1.453,900 1.033,901 4.501,902 10.654,903 3.689,904 4.29,905 4.864,906 5.448,907 5.772,908 6.099,909 6.511,910 6.852,911 7.193,912 7.545,913 0.857,914 36,915 9.204,917 4.024,918 7.884,919 17.175,921 14.168,924 2.384,925 59.611,929 105.94,930 171.56,931 51.582,932 39.149,933 34.652,935 63.497,936 108.063,937 179.741,938 51.582,940 3.124,941 73.983,942 59.957,943 57.414,944 23.362,945 145.895,946 39.149,947 105.94,948 159.645,949 34.652,950 102.646,952 105.94,953 34.652,956 44.344,957 87.488,958 66.961,959 63.497,960 105.94,961 86.234,962 210.709,965 105.94,966 88.53,967 86.155,969 122.258,970 105.94,971 86.234,972 210.709,973 0.588,974 0.349,975 0.197,976 0.094,977 21,978 9,979 0.079,980 3,982 1,983 3.773,984 210.595,986 21,987 116.096,989 2,993 16.578,994 6.788,995 3.295,997 86.234,998 14.344,999 4.099,1001 5.794,1002 1.315,1003 3.184,1005 31.672,1006 402.883,1007 39,1012 8.021,1013 12.544,1015 1.642,1017 0.283,1020 35.971,1021 38.359,1022 0.379,1023 0.744,1024 0.902,1025 0.989,1026 1,1027 1,1028 4.927,1029 1.317,1030 5.778,1031 4.178,1032 4.394,1033 4.977,1034 3.39,1035 6.608,1036 4.244,1037 6.144,1038 1.078,1039 7.347,1040 3.442,1041 4.007,1042 4.705,1043 2.048,1044 7.526,1045 3.767,1046 7.453,1047 0.914,1048 9.015,1049 2.508,1050 6.004,1051 7.13,1052 5.789,1053 10.656,1054 5.736,1055 8.797,1056 0.676,1057 10.743,1058 2.214,1059 6.463,1060 7.689,1061 4.965,1062 12.443,1063 6.112,1064 10.172,1065 0.618,1066 12.51,1067 1.663,1068 7.915,1069 9.532,1070 8.32,1071 15.084,1072 7.539,1073 11.568,1074 -0.043,1075 14.306,1076 1.372,1077 8.753,1078 10.479,1079 7.832,1080 17.232,1081 8.295,1082 12.98,1083 -0.348,1084 16.123,1085 -0.12,1086 10.005,1087 12.072,1088 10.865,1089 19.715,1090 9.512,1091 3.234,1092 -0.406,1093 17.957,1094 -0.853,1095 11.014,1096 13.216,1097 10.624,1098 22.016,1099 10.44,1100 2.941,1101 11.323,1102 19.804,1103 -0.933,1104 12.193,1105 14.693,1106 13.414,1107 24.449,1108 11.571,1109 2.551,1110 9.319,1111 21.662,1112 4.025,1113 13.28,1114 15.94,1115 13.367,1116 26.816,1117 12.578,1118 2.366,1119 7.907,1120 23.53,1121 3.842,1122 14.436,1123 17.361,1124 15.965,1125 29.235,1126 13.675,1127 2.08,1128 6.758,1129 25.406,1130 3.507,1131 15.559,1132 18.663,1133 16.077,1134 31.631,1135 14.718,1136 1.851,1137 5.838,1138 27.288,1139 3.276,1140 16.71,1141 20.058,1142 18.519,1143 34.048,1144 15.802,1145 1.521,1146 5.322,1147 29.175,1148 2.745,1149 17.85,1150 21.391,1151 18.764,1152 36.458,1153 16.862,1154 7197,1155 13860,1156 18.898,1157 28.125,1158 43.173,1159 45.191,1160 43.4,1161 42.429,1162 42.295,1163 57.074,1164 10.564,1165 123.69,1166 38.879,1167 5.385,1168 6.722,1169 6.453,1170 5.312,1171 5.234,1172 7.025,1173 7.117,1174 18.501,1175 4.972,1176 10.874,1177 1.542,1178 1.614,1179 1.55,1180 1.515,1181 1.511,1182 2.038,1183 0.377,1184 4.418,1185 1.389,1186 4.027,1187 4.033,1188 4.242,1189 3.945,1190 7.428,1191 3.944,1192 3.876,1193 3.897,1194 4.056,1195 3.833,1196 5.814,1197 3.782,1198 3.748,1199 3.764,1200 3.974,1201 3.696,1202 5.091,1203 3.661,1204 3.561,1205 3.576,1206 3.752,1207 3.495,1208 4.884,1209 3.458,1210 3.068,1211 3.131,1212 3.272,1213 2.913,1214 4.837,1215 2.917,1216 2.881,1217 2.922,1218 3.034,1219 2.796,1220 4.295,1221 2.77,1222 2.85,1223 2.887,1224 2.895,1225 2.697,1226 4.051,1227 2.697,1228 2.722,1229 2.766,1230 2.678,1231 2.533,1232 3.624,1233 2.538,1234 0.16,1235 0.169,1236 0.245,1237 0.148,1238 0.116,1239 4.485,1240 0.144,1241 4.722,1242 0.13,1243 6.859,1244 0.404,1245 4.143,1246 0.106,1247 3.234,1248 4.025,1249 3.647,1250 11.323,1251 2.972,1252 1.901,1253 1.883,1254 1.984,1255 1.97,1256 1.094,1257 1.981,1258 1.642,1259 1.634,1260 1.716,1261 1.771,1262 0.839,1263 1.749,1264 1.432,1265 1.411,1266 1.512,1267 1.637,1268 0.605,1269 1.611,1270 1.357,1271 1.338,1272 1.477,1273 1.492,1274 0.566,1275 1.511,1276 1.352,1277 1.311,1278 1.344,1279 1.475,1280 0.43,1281 1.49,1282 1.074,1283 1.081,1284 1.145,1285 1.281,1286 0.228,1287 1.255,1288 0.917,1289 0.894,1290 1.063,1291 1.059,1292 0.15,1293 1.096,1294 0.867,1295 0.824,1296 0.926,1297 1.012,1299 1.054,1300 4.043,1302 5.38,1303 3.434,1304 6.889,1305 5.733,1306 8.478,1307 7.766,1308 10.114,1311 6.003,1319 1.089,1321 1.294,1326 26.803,1327 68.064,1328 133.486,1329 162.015,1330 177.525,1331 179.525,1332 179.525,1333 40.149,1334 7.334,1335 71.88,1336 128.36,1337 21,1338 12.542,1339 4.322,1340 3.585,1341 36.067,1342 95,1343 81,1344 0.188,1345 173.963,1346 296.93,1347 416.229,1348 14902,1349 2.9,1350 17.389,1351 0.696,1352 0.6,1353 18.596,1354 14.99,1355 12.114,1356 0.433,1357 0.331,1358 7.285,1359 10.515,1360 6.97,1361 5.729,1362 13.265,1363 9.269,1364 11.161,1365 0.279,1366 0.186,1367 12.854,1368 7.424,1369 9.488,1370 0.176,1371 0.099,1372 11.143,1373 5.323,1374 8.322,1375 0.114,1376 0.056,1377 10.212,1378 4.059,1379 5.76,1380 0.073,1381 0.03,1382 7.165,1383 2.376,1384 0.297,1385 87.121,1386 0.23,1387 24.349,1388 0.512,1389 136,1390 445.018,1391 214.011,1392 502.342,1393 677.8,1394 468,1395 162,1396 451.732,1397 225.762,1398 494.197,1399 730.41,1400 465,1401 5.269}
{0 CHEMBL1493957,1 1.965,2 7.4,3 3.408,4 11.614,5 70.94,6 9.323,7 0.571,8 3.58,9 3.659,10 3.505,11 3.199,12 4.772,13 3.159,14 4.125,15 4.259,16 3.788,17 3.498,18 5.801,19 3.493,20 4.273,21 4.422,22 3.771,23 3.567,24 5.846,25 3.542,26 4.252,27 4.45,28 3.669,29 3.526,30 5.53,31 3.47,32 4.192,33 4.358,34 3.839,35 3.474,36 5.593,37 3.447,38 4.22,39 4.346,40 3.764,41 3.365,42 6.211,43 3.375,44 4.215,45 4.44,46 3.243,47 3.134,48 5.73,49 3.102,50 3.81,51 4.064,52 2.707,53 2.728,54 5.097,55 2.626,56 0.139,57 0.622,58 6.072,59 3.579,60 33.57,61 3.272,62 0.604,63 1.07,64 14.688,65 5.495,66 115.636,67 5.511,68 0.64,69 1.036,70 11.723,71 5.395,72 86.975,73 5.767,74 0.493,75 1.035,76 14.23,77 6.046,78 77.026,79 6.491,80 0.473,81 1.091,82 17.458,83 6.471,84 85.706,85 6.333,86 0.9,87 1.051,88 14.052,89 5.978,90 174.749,91 5.239,92 0.846,93 0.974,94 19.379,95 5.956,96 138.275,97 5.079,98 0.502,99 0.543,100 12.583,101 4.107,102 92.394,103 4.429,104 41,105 31,106 0.367,107 0.648,108 0.763,109 0.808,110 0.808,111 0.808,112 3.059,113 1.086,114 -3.98,115 -3.93,116 -3.73,120 40.6,121 1,125 1,129 1,143 5,144 2,147 2,151 1,174 7,176 2,177 3,185 9,188 4,189 2,197 7,201 3,209 3,214 7,222 1,227 7,235 1,240 5,252 3,264 2,274 474,275 12.488,276 12.488,277 12.488,278 12.488,279 12.488,280 10.802,281 9.93,282 7.099,283 13.006,284 10.346,285 10.346,286 10.346,287 10.346,288 10.346,289 7.691,290 8.761,291 3.387,292 11.246,293 3.035,294 1.527,295 0.91,296 0.672,297 0.672,298 0.672,299 3.705,305 1,306 1,307 1,308 298,309 3.391,313 131.087,320 1.2,321 39.647,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46,333 148,334 4.817,335 5.181,336 7.126,337 4.199,338 3.341,339 4.679,340 2.95,341 11.753,342 2.919,343 4.27,344 3.542,345 6.206,346 3.849,347 2.888,348 3.916,349 2.375,350 9.277,351 2.704,352 3.932,353 2.894,354 5.849,355 3.551,356 2.614,357 3.453,359 7.969,360 2.438,361 3.601,362 2.615,363 5.046,364 3.245,365 2.268,366 2.927,368 6.087,369 2.202,370 3.117,371 2.403,372 4.66,373 2.592,374 1.685,375 2.319,377 4.862,378 1.516,379 2.723,380 1.832,381 4.211,382 2.19,383 1.238,384 1.813,386 3.61,387 1.171,388 2.5,389 1.337,390 3.702,391 2,392 1.052,393 1.5,395 2.62,396 1,397 2.326,398 1,399 3.414,400 1.894,401 1,402 1.291,404 2.275,405 0.865,406 1.178,407 0.679,408 2.842,409 0.839,410 -0.15,411 -0.189,413 -0.341,414 -0.148,415 1,416 0.51,417 2.648,418 0.257,419 -0.65,420 -0.863,422 -1.992,423 -0.577,424 0.781,425 0.061,426 2.129,427 0.236,428 -0.707,429 -0.939,431 -2,432 -0.658,433 0.7,434 -0.123,435 2,437 -1,438 -1,440 -2.083,441 -0.7,442 0.5,443 -0.416,444 2,446 -1,447 -1.219,449 -3,450 -0.785,451 0.301,452 -0.786,453 2,454 -0.201,455 -1,456 -1.5,458 -3,459 -1,461 -1,462 1.789,463 -0.293,464 -1,465 -1.5,467 -3,468 -1,469 9.371,470 0.469,471 0.816,472 0.041,473 27.5,474 1.375,475 15,476 0.75,477 12.5,478 0.625,479 13.475,480 0.674,481 22.429,482 0.701,483 20.795,484 1.04,485 5.393,486 0.27,487 3.877,488 0.194,489 0.239,490 0.089,491 0.32,492 2,496 0.483,497 1.031,498 0.77,499 1.238,500 0.635,501 0.957,502 0.65,503 0.918,504 0.953,505 1.117,506 0.632,507 0.873,508 0.699,509 0.747,510 0.779,511 0.793,512 0.774,513 1.014,514 0.818,515 0.921,516 0.803,517 0.849,518 0.746,519 0.943,520 0.694,521 1.027,522 0.868,523 1.232,524 0.808,525 0.951,526 1.021,527 1.364,528 1.068,529 1.238,530 0.949,531 1.199,532 1.851,533 1.217,534 1.395,535 0.927,536 1.74,537 1.038,538 1.287,539 0.934,540 0.952,541 0.783,542 1.333,543 1.006,544 6.5,546 2.889,547 1.188,548 1.333,549 1.451,550 0.446,551 0.25,552 0.246,554 3089,555 12821,556 1.899,557 37.5,558 3,559 8,560 1,567 1.625,568 1.702,569 2.854,570 -0.64,572 1,573 1,574 1,575 62.875,576 1.965,577 3.473,578 4.09,579 4.328,580 4.328,581 4.328,582 2.246,583 3.309,584 4.294,585 3.011,586 572.005,587 7.371,588 5800.72,589 1,590 1,591 1,592 1,593 160,594 1.788,595 4.189,596 0.31,598 0.093,599 0.04,600 0.051,601 0.052,602 0.017,603 0.017,604 0.031,606 0.61,607 0.67,608 1,609 1.069,610 86.921,611 0.043,612 -0.08,613 0.187,614 -0.062,615 -0.121,616 0.006,617 0.191,618 0.085,619 0.012,620 -0.062,621 0.207,622 0.072,623 0.076,624 0.068,625 -0.079,626 0.013,628 -0.148,629 -0.09,630 -0.041,631 0.047,632 0.047,633 -0.072,634 0.033,635 0.118,636 -0.097,637 0.216,638 -0.146,639 -0.002,640 0.052,641 0.235,642 -0.241,643 -0.11,644 -0.248,645 0.372,646 -0.316,647 -0.438,648 0.027,649 -0.339,650 0.024,651 -0.344,652 -0.086,653 -0.192,654 -0.05,655 0.025,656 0.09,657 -0.221,658 0.051,659 4.67,660 4.81,661 0.6,662 13.67,663 1.039,664 1.141,665 2.749,666 7.555,667 0.688,668 3.091,669 3.466,670 3.611,671 3.784,672 4.111,673 4.159,674 4.143,675 4.078,676 4.007,677 3.714,678 4.656,679 0.675,680 298.34,681 3.091,682 4.654,683 5.476,684 6.365,685 7.22,686 8.107,687 8.975,688 9.862,689 10.735,690 11.622,691 6.3,701 2,709 5,710 2,714 5,716 12,738 32,739 14,740 1,741 21,743 33,744 13,745 10,746 2,747 4,751 1,752 2,753 2,759 2,768 10,769 3,772 2,776 1,778 2,785 1,786 1,787 2,789 12,790 6,792 7,793 1,797 2,803 1,804 2,817 1,823 2,855 2,857 1,859 2,861 2,862 20,865 1,874 1,885 2,886 6.3,889 2,893 11.75,894 6.436,895 4.222,896 1.677,898 2.406,899 1.384,900 0.97,901 3.827,902 8.673,903 3.401,904 4.078,905 4.543,906 5.08,907 5.712,908 5.978,909 6.342,910 6.558,911 6.845,912 6.966,913 0.8,914 30,915 7.748,917 3.686,918 8.529,919 13.351,921 10.843,924 3.029,925 60.583,929 141.253,930 90.135,931 33.571,933 44.313,934 29.92,935 6.046,936 84.089,937 185.566,938 63.491,939 16.016,941 61.542,942 77.884,943 41.805,944 12.464,945 129.482,947 141.253,948 117.66,949 74.233,950 6.046,952 141.253,953 74.233,955 8.115,956 15.032,957 60.943,958 39.617,960 171.173,961 77.884,962 90.135,964 6.046,965 149.368,966 12.578,967 63.397,969 107.804,970 141.253,971 107.804,972 90.135,973 0.606,974 0.321,975 0.145,976 0.099,977 15,978 8,979 0.061,980 2,982 1,983 3.024,984 147.729,986 12,987 78.439,992 1,993 14.55,994 5.26,995 3.385,997 107.804,998 8.071,999 7.253,1003 0.53,1006 339.193,1007 29,1011 -3.753,1013 22.951,1020 33.262,1021 36.506,1022 0.393,1023 0.695,1024 0.818,1025 0.866,1026 0.866,1027 0.866,1028 4.654,1029 1,1030 5.549,1031 2.62,1032 4.143,1033 4.762,1034 3.299,1035 6.405,1036 3.988,1037 5.939,1038 -0.15,1039 7.16,1040 2.275,1041 4.111,1042 4.987,1043 2.332,1044 7.647,1045 3.794,1046 7.314,1047 -0.65,1048 8.881,1049 -0.341,1050 5.861,1051 7.13,1052 5.247,1053 10.597,1054 5.525,1055 8.728,1056 -0.707,1057 10.666,1058 -1.992,1059 6.538,1060 8.087,1061 4.222,1062 12.584,1063 6.009,1064 10.172,1065 -1,1066 12.491,1067 -2,1068 7.9,1069 9.831,1070 7.32,1071 15.171,1072 7.335,1073 11.638,1074 -1,1075 14.343,1076 -2.083,1077 8.862,1078 11.095,1079 6.013,1080 17.44,1081 8.105,1082 13.122,1083 -1,1084 16.216,1085 -3,1086 10.094,1087 12.699,1088 9.434,1089 19.923,1090 9.268,1091 3.341,1092 -1,1093 18.104,1094 -3,1095 11.179,1096 14.104,1097 7.767,1098 22.303,1099 10.174,1100 2.888,1101 11.753,1102 20.005,1103 -3,1104 12.371,1105 15.657,1106 11.567,1107 24.76,1108 11.268,1109 2.614,1110 9.277,1111 21.915,1112 4.679,1113 13.51,1114 17.128,1115 9.507,1116 27.185,1117 12.242,1118 2.268,1119 7.969,1120 23.834,1121 3.916,1122 14.694,1123 18.665,1124 13.711,1125 29.638,1126 13.306,1127 1.685,1128 6.087,1129 25.76,1130 3.453,1131 15.86,1132 20.169,1133 11.241,1134 32.083,1135 14.316,1136 1.238,1137 4.862,1138 27.691,1139 2.927,1140 17.045,1141 21.701,1142 15.862,1143 34.538,1144 15.37,1145 1.052,1146 3.61,1147 29.627,1148 2.319,1149 18.226,1150 23.222,1151 12.972,1152 36.992,1153 16.4,1154 3249,1155 6778,1156 12.83,1157 22.012,1158 32.476,1159 34.194,1160 33.191,1161 32.26,1162 32.172,1163 43.796,1164 10.65,1165 96.906,1166 29.631,1167 5.486,1168 7.181,1169 6.541,1170 5.272,1171 5.341,1172 7.679,1173 5.9,1174 18.865,1175 4.919,1176 13.021,1177 1.546,1178 1.628,1179 1.581,1180 1.536,1181 1.532,1182 2.086,1183 0.507,1184 4.615,1185 1.411,1186 4.077,1187 4.076,1188 4.732,1189 4.039,1190 8.362,1191 3.969,1192 3.895,1193 3.894,1194 3.912,1195 3.865,1196 7.999,1197 3.804,1198 3.649,1199 3.66,1200 3.663,1201 3.526,1202 7.716,1203 3.507,1204 3.253,1205 3.318,1206 3.194,1207 3.063,1208 6.999,1209 3.068,1210 3.027,1211 3.116,1212 2.883,1213 2.742,1214 4.928,1215 2.766,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.661,1221 2.715,1222 2.722,1223 2.813,1224 2.467,1225 2.486,1226 3.95,1227 2.463,1228 2.485,1229 2.558,1230 2.343,1231 2.227,1232 3.734,1233 2.219,1234 0.229,1235 0.247,1236 0.339,1237 0.2,1238 0.159,1239 4.817,1240 0.223,1241 5.181,1242 0.14,1243 7.126,1244 0.56,1245 4.199,1246 0.139,1247 3.341,1248 4.679,1249 2.95,1250 11.753,1251 2.919,1252 1.975,1253 1.96,1254 2.06,1255 2.07,1256 1.176,1257 2.08,1258 1.812,1259 1.824,1260 1.798,1261 1.918,1262 1.04,1263 1.954,1264 1.542,1265 1.535,1266 1.591,1267 1.696,1268 0.814,1269 1.725,1270 1.205,1271 1.14,1272 1.5,1273 1.435,1274 0.582,1275 1.452,1276 0.924,1277 0.844,1278 1.181,1279 1.261,1280 0.218,1281 1.237,1282 0.886,1283 0.821,1284 1.137,1285 1.062,1286 0.215,1287 1.107,1288 0.704,1289 0.619,1290 0.845,1291 0.98,1292 0.06,1293 1.018,1294 0.427,1295 0.346,1296 0.764,1297 0.693,1299 0.714,1300 3.761,1302 5.118,1304 6.653,1306 8.263,1308 9.916,1310 2.771,1312 25.62,1320 -2.859,1326 21.587,1327 62.875,1328 111.129,1329 130.881,1330 138.49,1331 138.49,1332 138.49,1333 49.969,1334 6.267,1335 59.92,1336 68.3,1337 12,1338 12.155,1339 3.907,1340 3.17,1341 36.113,1342 55,1343 60,1344 0.334,1345 138.228,1346 241.33,1347 329.037,1348 3253,1349 6.3,1350 14.914,1351 0.746,1352 0.583,1353 13.586,1354 11.656,1355 9.27,1356 0.441,1357 0.362,1358 5.765,1359 8.069,1360 5.4,1361 4.498,1362 9.254,1363 7.605,1364 9.554,1365 0.308,1366 0.204,1367 10.042,1368 6.309,1369 6.675,1370 0.185,1371 0.096,1372 6.661,1373 3.474,1374 4.802,1375 0.112,1376 0.049,1377 5.036,1378 2.128,1379 4.401,1380 0.073,1381 0.028,1382 4.66,1383 1.682,1384 0.5,1385 68.111,1386 0.279,1387 19.442,1388 0.993,1389 104,1390 481.844,1391 154.574,1392 429.211,1393 548.53,1394 392,1395 119,1396 345.358,1397 172.063,1398 375.492,1399 547.22,1400 346,1401 4.883}
{0 CHEMBL1494392,1 1.918,2 9.333,3 2.24,4 5.017,5 72.083,6 11.45,7 0.632,8 3.446,9 3.544,10 3.35,11 2.978,12 4.803,13 2.996,14 3.81,15 3.934,16 3.736,17 3.3,18 5.181,19 3.292,20 4.012,21 4.157,22 3.792,23 3.301,24 5.39,25 3.282,26 3.933,27 4.14,28 3.345,29 3.024,30 5.33,31 2.989,32 3.724,33 3.963,34 3.192,35 2.8,36 4.936,37 2.778,38 3.5,39 3.676,40 3.188,41 2.782,42 4.796,43 2.751,44 3.485,45 3.683,46 3.174,47 2.793,48 4.855,49 2.76,50 3.405,51 3.559,52 3.084,53 2.781,54 4.721,55 2.738,56 0.163,57 0.419,58 1.513,59 2.071,60 14.355,61 1.836,62 0.218,63 0.601,64 2.041,65 3.127,66 14.123,67 3.01,68 0.364,69 0.65,70 15.632,71 4.214,72 29.483,73 3.896,74 0.441,75 0.558,76 8.472,77 3.719,78 49.216,79 4.056,80 0.358,81 0.457,82 10.14,83 2.738,84 34.697,85 3.007,86 0.246,87 0.38,88 10.134,89 2.467,90 21.732,91 2.492,92 0.249,93 0.378,94 5.934,95 2.399,96 22.4,97 2.902,98 0.192,99 0.345,100 7.176,101 2.258,102 15.636,103 1.91,104 10,105 25,106 0.374,107 0.708,108 0.82,109 0.869,110 0.884,111 0.884,112 2.958,113 0.905,114 -2.77,115 -2.79,116 -2.7,118 1,120 40.7,143 3,144 1,145 3,146 2,151 1,156 1,170 1,174 2,176 1,177 1,180 2,182 4,185 3,188 2,189 3,194 3,197 1,201 2,204 1,205 1,206 3,214 2,218 1,219 3,227 3,230 1,240 4,243 2,244 1,260 1,267 2,271 1,274 348,275 11.93,276 11.93,277 11.93,278 11.93,279 11.93,280 10.143,281 11.051,282 7.163,283 12.365,284 9.36,285 9.36,286 9.36,287 9.36,288 9.36,289 6.818,290 7.801,291 3.424,292 10.173,293 2.836,294 1.121,295 0.546,296 0.296,297 0.222,298 0.222,299 3.615,306 1,307 1,308 349,309 2.345,313 126.543,320 1.333,321 20.022,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 39.75,333 168,334 4.248,335 3.024,336 6.058,337 3.827,338 2.854,339 3.91,341 8.701,342 2.774,343 4.013,344 2.918,345 5.412,346 3.51,347 2.616,348 3.616,350 7.153,351 2.324,352 3.525,353 2.525,354 4.961,355 3.092,356 2.155,357 2.853,359 5.829,360 2.022,361 3.414,362 2.39,363 4.887,364 2.955,365 2.081,366 2.704,368 5.685,369 1.705,370 2.959,371 1.903,372 4.186,373 2.469,374 1.521,375 2.078,377 3.82,378 1.429,379 2.656,380 1.379,381 3.451,382 2.083,383 1.132,384 1.617,386 2.516,387 1.058,388 2.5,389 1,390 3.414,391 1.917,392 1,393 1.5,395 2.275,396 0.916,397 1.577,398 0.673,399 2.82,400 1.277,401 0.347,402 0.41,404 0.792,405 0.307,406 1.257,407 0.335,408 2.359,409 0.742,410 -0.095,411 -0.12,413 -0.207,414 -0.064,415 0.801,416 -0.071,417 2.219,418 0.4,419 -0.514,420 -0.621,422 -1.242,423 -0.421,424 0.745,425 -0.137,426 2,427 0.269,428 -0.581,429 -0.741,431 -1.318,432 -0.46,433 0.5,434 -0.857,435 1.789,436 -0.049,437 -1,438 -1.335,440 -2.86,441 -0.886,442 0.142,443 -1,444 1.444,445 -0.229,446 -1.118,447 -1.5,449 -3,450 -0.946,451 -0.061,452 -1.064,453 1.367,454 -0.502,455 -1.304,456 -1.723,458 -3.175,459 -1.13,460 -0.222,461 -1.26,462 1,463 -0.607,464 -1.501,465 -1.975,467 -4.042,468 -1.373,469 9.1,470 0.506,471 0.438,472 0.024,473 26.5,474 1.472,475 15,476 0.833,477 11.5,478 0.639,479 10.478,480 0.582,481 18.5,482 0.685,483 15.844,484 0.88,485 5.284,486 0.294,487 3.364,488 0.187,489 0.22,491 0.275,496 1.03,497 1.105,498 0.486,499 0.651,500 1.079,501 0.683,502 0.781,503 1.004,504 0.632,505 0.798,506 0.693,507 0.856,508 1.112,509 1.272,510 1.115,511 1.315,512 1.13,513 1.238,514 0.998,515 1.207,516 0.392,517 0.792,518 0.962,519 1.019,520 1.131,521 0.877,522 0.426,523 0.573,524 1.096,525 0.73,526 0.988,527 1.102,528 0.946,529 1.026,530 0.975,531 1.017,532 0.482,533 0.816,534 0.452,535 0.566,536 0.48,537 0.687,538 1.341,539 0.843,540 1.093,541 0.973,542 1.221,543 1.048,544 4,545 0.033,546 2,547 0.813,548 0.716,549 0.292,550 0.284,551 0.118,552 0.143,553 0.138,554 3011,555 12492,556 1.994,557 33.3,559 3,561 3,562 3,567 1.578,568 1.862,569 3.198,570 1.306,574 1,575 51.799,576 1.918,577 3.634,578 4.208,579 4.459,580 4.533,581 4.533,582 2.636,583 3.572,584 4.145,585 3.313,586 506.958,587 6.989,588 4990.32,589 1,590 1,592 1,593 128.382,594 1.415,595 4.096,596 0.211,597 0.006,598 0.08,599 0.035,600 0.045,601 0.022,602 0.022,603 0.008,604 0.012,605 0.015,606 0.456,607 0.5,608 1,609 0.662,610 78.417,611 -0.2,612 0.016,613 -0.016,614 0.096,615 -0.259,616 0.07,617 -0.037,618 0.121,619 -0.007,620 -0.003,621 -0.022,622 -0.061,623 -0.13,624 -0.278,625 -0.119,626 -0.368,627 -0.149,628 -0.345,629 0.055,630 -0.29,631 0.048,632 -0.019,633 0.137,634 -0.063,635 -0.132,636 0.076,637 0.084,638 0.211,639 -0.137,640 0.25,641 -0.059,642 -0.123,643 -0.065,644 -0.106,645 -0.087,646 -0.072,647 0.353,648 0.173,649 0.096,650 0.248,651 0.316,652 0.279,653 -0.404,654 0.181,655 -0.163,656 -0.041,657 -0.289,658 -0.157,659 1.725,660 3.508,661 0.667,662 12.222,663 1.035,664 1.13,665 1.542,666 2.378,667 0.725,668 2.996,669 3.258,670 3.401,671 3.526,672 3.689,673 3.497,674 3.332,675 3.332,676 3.466,677 3.526,678 5.45,679 0.708,680 309.14,681 2.996,682 4.489,683 5.283,684 6.111,685 6.921,686 7.748,687 8.562,688 9.389,689 10.205,690 11.031,691 14.8,696 1,700 1,701 2,709 5,710 2,714 5,716 12,734 2,737 1,738 27,739 13,740 1,741 19,742 1,743 28,744 11,745 10,746 3,747 3,748 1,752 2,753 2,755 1,768 11,772 1,780 1,781 1,786 1,789 9,790 6,791 3,792 7,793 1,797 4,803 1,804 2,817 1,823 2,855 2,858 1,862 18,868 2,871 1,885 1,886 7.4,888 2,893 9.667,894 4.643,895 4.028,896 1.305,898 2.751,899 1.46,900 0.912,901 4.122,902 8.732,903 3.296,904 3.871,905 4.363,906 4.854,907 5.345,908 5.291,909 5.355,910 5.633,911 6.043,912 6.468,913 1,914 23,915 6.537,917 2.675,918 8.088,919 11.9,921 9.008,924 2.588,925 46.583,929 70.627,930 63.711,931 114.076,933 85.367,936 109.665,937 155.993,938 68.122,941 28.429,942 181.187,943 40.999,944 1.899,945 35.313,946 45.954,947 70.627,948 131.833,949 85.367,951 45.954,952 70.627,953 85.367,956 36.657,957 34.669,958 60.507,959 45.954,960 70.627,961 153.489,962 109.665,965 70.627,966 8.14,967 55.571,968 63.842,969 135.601,970 70.627,971 153.489,972 109.665,973 0.574,974 0.316,975 0.153,976 0.085,977 11,978 5,979 0.107,980 3,982 1,983 3.137,984 115.921,986 12,987 71.059,993 12.798,994 5.798,995 3.675,997 153.489,998 7.402,999 7.921,1003 1.518,1005 103.255,1006 333.78,1007 26,1015 1.403,1016 3.875,1020 27.942,1021 30.499,1022 0.403,1023 0.764,1024 0.885,1025 0.938,1026 0.953,1027 0.953,1028 4.477,1029 0.347,1030 5.242,1031 2.275,1032 3.932,1033 4.554,1035 5.938,1036 3.777,1037 5.678,1038 -0.095,1039 6.737,1040 0.792,1041 3.434,1042 4.227,1044 6.605,1045 3.126,1046 6.958,1047 -0.514,1048 8.324,1049 -0.207,1050 5.425,1051 6.7,1053 9.591,1054 5.153,1055 8.27,1056 -0.581,1057 9.962,1058 -1.242,1059 5.673,1060 7.117,1062 11.037,1063 5.278,1064 9.605,1065 -1,1066 11.632,1067 -1.318,1068 7.155,1069 9.079,1071 13.533,1072 6.789,1073 10.959,1074 -1.118,1075 13.324,1076 -2.86,1077 7.769,1078 9.875,1080 15.332,1081 7.319,1082 12.327,1083 -1.304,1084 15.033,1085 -3,1086 9.019,1087 11.581,1089 17.637,1090 8.579,1091 2.854,1092 -1.501,1093 16.756,1094 -3.175,1095 9.826,1096 12.595,1098 19.611,1099 9.332,1100 2.616,1101 8.701,1102 18.489,1103 -4.042,1104 10.963,1105 14.157,1107 21.835,1108 10.465,1109 2.155,1110 7.153,1111 20.231,1112 3.91,1113 11.875,1114 15.302,1116 23.898,1117 11.34,1118 2.081,1119 5.829,1120 21.98,1121 3.616,1122 12.956,1123 16.778,1125 26.085,1126 12.41,1127 1.521,1128 5.685,1129 23.737,1130 2.853,1131 13.925,1132 18.003,1134 28.195,1135 13.351,1136 1.132,1137 3.82,1138 25.499,1139 2.704,1140 14.98,1141 19.428,1143 30.367,1144 14.392,1145 1,1146 2.516,1147 27.266,1148 2.078,1149 15.979,1150 20.702,1152 32.5,1153 15.368,1154 3034,1155 6284,1156 12.425,1157 19.568,1158 27.892,1159 28.029,1160 28.274,1161 27.695,1162 27.414,1163 37.375,1165 73.542,1166 25.071,1167 4.947,1168 5.024,1169 5.607,1170 4.896,1171 4.854,1172 6.91,1174 14.934,1175 4.774,1176 9.002,1177 1.468,1178 1.475,1179 1.488,1180 1.458,1181 1.443,1182 1.967,1184 3.871,1185 1.32,1186 3.933,1187 3.96,1188 6.88,1189 3.844,1190 6.493,1191 3.85,1192 3.817,1193 3.862,1194 3.883,1195 3.689,1196 6.446,1197 3.687,1198 3.334,1199 3.404,1200 3.69,1201 3.112,1202 5.042,1203 3.137,1204 2.97,1205 2.996,1206 3.228,1207 2.788,1208 4.693,1209 2.783,1210 2.91,1211 2.959,1212 2.849,1213 2.746,1214 4.342,1215 2.746,1216 2.679,1217 2.776,1218 2.741,1219 2.423,1220 3.962,1221 2.442,1222 2.633,1223 2.68,1224 2.56,1225 2.37,1226 3.829,1227 2.391,1228 2.199,1229 2.28,1230 2.418,1231 1.879,1232 3.49,1233 1.766,1234 0.224,1235 0.159,1236 0.319,1237 0.201,1238 0.15,1239 4.248,1240 0.206,1241 3.024,1243 6.058,1244 0.458,1245 3.827,1246 0.146,1247 2.854,1248 3.91,1250 8.701,1251 2.774,1252 1.885,1253 1.868,1254 1.972,1255 1.999,1256 1.055,1257 1.988,1258 1.726,1259 1.683,1260 1.76,1261 1.91,1262 0.772,1263 1.886,1264 1.231,1265 1.171,1266 1.375,1267 1.497,1268 0.325,1269 1.469,1270 0.883,1271 0.84,1272 1.141,1273 1.163,1274 0.156,1275 1.133,1276 0.842,1277 0.796,1278 0.998,1279 1.092,1280 0.009,1281 1.086,1282 0.618,1283 0.524,1284 0.921,1285 0.912,1287 0.918,1288 0.498,1289 0.449,1290 0.774,1291 0.842,1293 0.835,1294 0.015,1296 0.576,1297 0.606,1299 0.603,1300 3.664,1302 4.934,1304 6.392,1306 7.933,1308 9.513,1309 3.219,1314 18.631,1317 2.615,1326 19.121,1327 51.799,1328 98.117,1329 113.627,1330 120.382,1331 122.382,1332 122.382,1333 27.781,1334 5.981,1335 90.63,1336 90.63,1337 12,1338 11.609,1339 3.807,1340 3,1341 31.327,1342 60,1343 52,1344 0.26,1345 128.091,1346 214.72,1347 304.302,1348 2685,1349 3.7,1350 12.958,1351 0.72,1352 0.592,1353 13.958,1354 10.664,1355 8.648,1356 0.455,1357 0.302,1358 4.89,1359 7.679,1360 4.767,1361 3.967,1362 9.225,1363 5.729,1364 7.712,1365 0.308,1366 0.17,1367 8.529,1368 4.254,1369 5.932,1370 0.205,1371 0.083,1372 6.509,1373 2.412,1374 4.443,1375 0.135,1376 0.042,1377 4.777,1378 1.376,1379 3.462,1380 0.089,1381 0.023,1382 3.933,1383 0.912,1384 0.416,1385 63.276,1386 0.284,1387 18.572,1388 0.685,1389 88,1390 324.222,1391 164.794,1392 351.99,1393 457.31,1394 324,1395 98,1396 303.823,1397 138.934,1398 319.557,1399 454.52,1400 298,1401 4.731}
{0 CHEMBL1495202,1 1.612,2 10,3 2.327,4 5.415,5 82.122,6 8.764,7 0.3,8 3.687,9 3.823,10 3.397,11 3.22,12 4.713,13 3.17,14 4.228,15 4.436,16 3.773,17 3.585,18 5.218,19 3.506,20 4.475,21 4.707,22 3.758,23 3.732,24 5.414,25 3.586,26 4.506,27 4.792,28 3.423,29 3.599,30 5.323,31 3.405,32 4.32,33 4.614,34 3.349,35 3.329,36 5.301,37 3.202,38 3.998,39 4.202,40 3.295,41 3.164,42 5.214,43 3.076,44 3.936,45 4.185,46 3.203,47 3.133,48 4.911,49 3.011,50 3.858,51 4.067,52 3.447,53 3.145,54 4.891,55 3.022,56 0.04,57 0.545,58 6.716,59 3.327,60 5.004,61 4.537,62 0.191,63 0.85,64 15.562,65 5.171,66 17.15,67 7.293,68 0.296,69 0.991,70 28.099,71 7.554,72 27.955,73 10.112,74 0.218,75 0.914,76 31.565,77 8.361,78 26.012,79 11.366,80 0.224,81 0.721,82 22.382,83 6.161,84 34.972,85 8.454,86 0.244,87 0.569,88 16.428,89 4.219,90 36.272,91 5.342,92 0.138,93 0.54,94 16.958,95 4.356,96 18.969,97 5.782,98 0.19,99 0.516,100 15.228,101 4.031,102 23.713,103 5.405,104 10,105 26,106 0.297,107 0.604,108 0.727,109 0.797,110 0.797,111 0.797,112 3.008,113 1.066,114 -3.66,115 -3.63,116 -3.45,118 1,120 37.8,125 1,126 4,136 2,143 4,144 1,145 1,159 1,170 1,174 6,177 1,180 1,182 1,185 9,188 2,189 2,194 1,197 8,201 2,204 1,206 1,209 3,214 3,219 2,222 1,226 1,227 5,232 2,235 1,240 3,252 2,257 1,264 3,274 442,275 12.585,276 12.585,277 12.585,278 12.585,279 12.585,280 11.549,281 14.134,282 7.61,283 12.946,284 9.865,285 9.865,286 9.865,287 9.865,288 9.865,289 8.277,290 18.789,291 3.682,292 10.475,293 3.598,294 1.934,295 1.264,296 0.885,297 0.885,298 0.885,299 3.667,305 1,306 1,307 1,308 395,309 2.828,313 139.65,320 1.474,321 12.271,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 40.25,333 190,334 4.054,335 3.469,336 5.529,337 3.657,338 2.692,339 3.659,340 0.98,341 7.506,342 2.61,343 3.807,344 2.903,345 5.411,346 3.564,347 2.609,348 3.052,349 0.8,350 7.153,351 2.488,352 3.537,353 2.858,354 5.026,355 3.276,356 2.317,357 2.714,358 0.4,359 6.068,360 2.211,361 3.381,362 2.372,363 4.888,364 2.983,365 2.088,366 2.498,368 5.691,369 1.815,370 2.996,371 2.342,372 4.67,373 2.816,374 1.864,375 2,377 5.087,378 1.682,379 2.5,380 1.146,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.371,389 1.004,390 3.414,391 1.967,392 1,393 1.035,395 2.275,396 0.965,397 2,398 1,399 3.174,400 1.667,401 0.69,402 1,404 1.586,405 0.648,406 1.211,407 0.599,408 2.615,409 1.084,410 0.099,411 0.105,413 0.224,414 0.093,415 1.163,416 0.328,417 2,418 0.665,419 -0.213,420 -0.27,422 -0.451,423 -0.136,424 0.549,425 -0.095,426 2,427 0.313,428 -0.661,429 -0.738,431 -1.6,432 -0.608,433 0.5,434 -0.6,435 2,437 -1,438 -1,440 -2.529,441 -0.792,442 0.206,443 -0.604,444 1.686,445 -0.072,446 -1,447 -1.208,449 -3,450 -0.9,452 -0.98,453 1.506,454 -0.1,455 -1,456 -1.422,458 -3,459 -1,460 -0.076,461 -1,462 1.129,463 -0.402,464 -1.324,465 -1.5,467 -3.099,468 -1.257,469 9.867,470 0.519,471 0.455,472 0.024,473 20.75,474 1.092,475 9,476 0.474,477 11.75,478 0.618,479 15.649,480 0.824,481 20.733,482 0.56,483 12.581,484 0.662,485 4.17,486 0.219,487 4.961,488 0.261,489 0.22,491 0.233,496 0.683,497 1.407,498 0.507,499 0.928,500 0.549,501 0.981,502 1.036,503 1.077,504 0.587,505 0.731,506 0.514,507 0.851,508 1.097,509 0.982,510 0.931,511 0.985,512 0.911,513 1.092,514 0.78,515 0.932,516 0.695,517 0.932,518 0.843,519 0.988,520 1.296,521 0.778,522 0.322,523 0.55,524 1.677,525 0.622,526 2.116,527 1.099,528 0.838,529 0.915,530 2.88,531 1.01,532 1.294,533 0.938,534 0.784,535 0.819,536 1.362,537 0.843,538 1.051,539 1.06,540 0.74,541 1.058,542 1.461,543 1.093,544 4.5,545 0.082,546 1.778,547 0.625,548 0.924,549 0.319,550 0.304,551 0.208,552 0.041,553 0.102,554 3584,555 10121,556 1.995,557 48.6,559 17,562 1,567 1.594,568 1.869,569 3.311,570 -0.249,571 1,572 1,574 1,575 59.633,576 1.612,577 3.275,578 3.946,579 4.324,580 4.324,581 4.324,582 2.735,583 3.827,584 4.221,585 3.427,586 585.946,587 7.145,588 6059.32,589 1,590 1,592 1,593 192.75,594 1.384,595 4.178,596 0.225,597 0.01,598 0.068,599 0.027,600 0.054,601 0.019,602 0.02,603 0.015,604 0.003,605 0.01,606 0.453,607 0.67,608 1,609 0.644,610 84.993,611 0.064,612 -0.151,613 0.005,614 -0.059,615 -0.018,616 -0.034,617 -0.066,618 0.096,619 0.018,620 0.101,621 0.102,622 0.05,623 -0.097,624 0.077,625 -0.08,626 -0.066,627 -0.047,628 -0.155,629 0.036,630 -0.035,631 -0.007,632 -0.046,634 -0.023,635 -0.034,636 0.079,637 0.113,638 0.233,639 -0.005,640 0.288,641 -0.246,642 -0.09,643 -0.081,644 -0.049,645 -0.28,646 -0.136,647 -0.135,648 0.032,649 -0.005,650 0.08,651 -0.052,652 0.095,653 0.057,654 -0.05,655 0.07,656 -0.117,657 -0.082,658 -0.13,659 1.743,660 4.771,661 0.632,662 14.305,663 0.998,664 1.132,665 2.428,666 5.896,667 0.673,668 3.045,669 3.296,670 3.401,671 3.526,672 3.738,673 3.497,674 3.434,675 3.434,676 3.296,677 3.367,678 5.803,679 0.622,680 324.25,681 3.045,682 4.533,683 5.313,684 6.133,685 6.93,686 7.748,687 8.552,688 9.367,689 10.173,690 10.987,691 8.1,694 2,698 1,709 4,714 2,716 6,737 1,738 37,739 8,740 1,741 20,742 1,743 38,744 14,745 6,746 2,747 4,748 3,752 2,753 2,768 9,769 5,772 2,778 1,780 2,782 1,785 1,786 1,789 18,790 4,791 1,792 5,793 1,797 3,801 1,803 1,804 1,823 2,845 2,851 1,855 2,858 1,859 1,862 19,869 4,871 1,875 2,885 1,886 2.7,889 1,893 10.167,894 6.71,895 4.25,896 2.123,898 1.622,899 1.269,900 0.954,901 5.281,902 7.641,903 3.258,904 3.701,905 4.082,906 4.453,907 4.942,908 4.895,909 5.001,910 5.269,911 5.272,912 5.147,913 0.857,914 23,915 7.01,917 2.81,918 7.671,919 13.567,921 10.626,924 2.171,925 41.25,926 0.001,929 200.109,930 84.622,931 69.968,933 25.145,936 130.576,937 225.254,938 24.014,939 8.396,940 26.311,941 56.857,942 29.85,943 12.367,945 200.109,946 45.954,947 200.109,948 108.636,949 25.145,951 45.954,952 200.109,953 25.145,956 32.437,957 57.247,958 18.952,959 45.954,960 200.109,961 49.159,962 130.576,965 200.109,966 19.368,967 71.38,968 63.842,969 25.145,970 200.109,971 49.159,972 130.576,973 0.572,974 0.303,975 0.145,976 0.089,977 11,978 5,979 0.079,980 3,982 1,983 3.265,984 123.422,986 12,987 72.711,993 14.41,994 6.963,995 4.879,997 49.159,998 7.837,1003 2.045,1005 17.888,1006 379.844,1007 25,1013 11.771,1015 3.388,1017 -0.076,1020 36.931,1021 41.868,1022 0.309,1023 0.629,1024 0.757,1025 0.83,1026 0.83,1027 0.83,1028 4.46,1029 0.69,1030 5.263,1031 2.275,1032 3.97,1033 4.382,1034 1.435,1035 5.922,1036 3.864,1037 5.603,1038 0.099,1039 6.732,1040 1.586,1041 3.434,1042 3.951,1043 0.325,1044 6.475,1045 3.199,1046 6.847,1047 -0.213,1048 8.284,1049 0.224,1050 5.434,1051 6.334,1052 1.211,1053 9.418,1054 5.24,1055 8.114,1056 -0.661,1057 9.879,1058 -0.451,1059 5.602,1060 6.626,1061 0.268,1062 10.68,1063 5.301,1064 9.405,1065 -1,1066 11.498,1067 -1.6,1068 7.099,1069 8.542,1070 1.114,1071 13.122,1072 6.83,1073 10.712,1074 -1,1075 13.132,1076 -2.529,1077 7.609,1078 9.195,1079 0.188,1080 14.709,1081 7.257,1082 12.031,1083 -1,1084 14.777,1085 -3,1086 8.868,1087 10.886,1088 1.054,1089 16.934,1090 8.529,1091 2.692,1092 -1.324,1093 16.43,1094 -3,1095 9.57,1096 11.755,1097 0.125,1098 18.7,1099 9.166,1100 2.609,1101 7.506,1102 18.088,1103 -3.099,1104 10.701,1105 13.314,1106 1.007,1107 20.816,1108 10.296,1109 2.317,1110 7.153,1111 19.752,1112 3.659,1113 11.515,1114 14.323,1115 0.082,1116 22.684,1117 11.057,1118 2.088,1119 6.068,1120 21.419,1121 3.052,1122 12.575,1123 15.796,1124 0.969,1125 24.742,1126 12.106,1127 1.864,1128 5.691,1129 23.089,1130 2.714,1131 13.456,1132 16.9,1133 0.054,1134 26.669,1135 12.941,1136 1,1137 5.087,1138 24.762,1139 2.498,1140 14.478,1141 18.316,1142 0.935,1143 28.698,1144 13.943,1145 1,1146 2.275,1147 26.438,1148 2,1149 15.399,1150 19.482,1151 0.035,1152 30.657,1153 14.823,1154 3591,1155 6147,1156 13.118,1157 24.915,1158 29.292,1159 29.763,1160 29.48,1161 29.021,1162 28.718,1163 35.128,1164 4.36,1165 75.727,1166 27.025,1167 5.054,1168 5.469,1169 4.943,1170 4.725,1171 4.692,1172 6.659,1173 1.96,1174 12.992,1175 4.61,1176 9.362,1177 1.465,1178 1.488,1179 1.474,1180 1.451,1181 1.436,1182 1.756,1183 0.218,1184 3.786,1185 1.351,1186 3.938,1187 3.972,1188 6.88,1189 3.898,1190 7.43,1191 3.88,1192 3.829,1193 3.899,1194 3.819,1195 3.614,1196 4.773,1197 3.629,1198 3.549,1199 3.587,1200 3.705,1201 3.407,1202 4.435,1203 3.407,1204 3.212,1205 3.311,1206 3.441,1207 2.967,1208 4.19,1209 2.968,1210 3.111,1211 3.206,1212 3.023,1213 2.941,1214 3.978,1215 2.91,1216 2.971,1217 3.027,1218 2.866,1219 2.831,1220 3.674,1221 2.8,1222 2.854,1223 2.925,1224 2.749,1225 2.735,1226 3.569,1227 2.715,1228 2.644,1229 2.739,1230 2.687,1231 2.445,1232 3.474,1233 2.414,1234 0.203,1235 0.173,1236 0.276,1237 0.183,1238 0.135,1239 4.054,1240 0.183,1241 3.469,1242 0.049,1243 5.529,1244 0.375,1245 3.657,1246 0.131,1247 2.692,1248 3.659,1249 0.98,1250 7.506,1251 2.61,1252 1.916,1253 1.896,1254 2.003,1255 2.026,1256 1.276,1257 2.021,1258 1.764,1259 1.687,1260 1.974,1261 1.967,1262 1.109,1263 1.984,1264 1.484,1265 1.454,1266 1.623,1267 1.688,1268 0.825,1269 1.669,1270 1.18,1271 1.075,1272 1.532,1273 1.458,1274 0.667,1275 1.487,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.615,1281 1.429,1282 0.906,1283 0.863,1284 1.181,1285 1.165,1286 0.262,1287 1.177,1288 0.886,1289 0.821,1290 1.133,1291 1.062,1292 0.218,1293 1.107,1294 0.624,1295 0.525,1296 0.947,1297 0.902,1298 0.058,1299 0.93,1300 3.714,1302 4.977,1304 6.415,1306 7.926,1308 9.472,1309 3.382,1310 2.09,1315 3.705,1317 2.893,1321 4.217,1326 23.019,1327 59.633,1328 121.186,1329 145.995,1330 159.995,1331 159.995,1332 159.995,1333 27.672,1334 6.019,1335 35.58,1336 35.58,1337 12,1338 11.574,1339 3.17,1340 2.585,1341 33.997,1342 66,1343 59,1344 0.249,1345 151.932,1346 263.01,1347 362.475,1348 2844,1349 2.7,1350 13.665,1351 0.719,1352 0.661,1353 14.665,1354 12.559,1355 9.131,1356 0.457,1357 0.355,1358 6.265,1359 8.209,1360 6.039,1361 5.021,1362 9.708,1363 7.104,1364 8.17,1365 0.314,1366 0.214,1367 8.987,1368 5.567,1369 6.074,1370 0.209,1371 0.124,1372 6.652,1373 3.597,1374 4.39,1375 0.133,1376 0.064,1377 4.723,1378 2.121,1379 3.785,1380 0.092,1381 0.04,1382 4.256,1383 1.642,1384 0.401,1385 65.453,1386 0.276,1387 19.625,1388 0.651,1389 92,1390 262.013,1391 165.969,1392 291.163,1393 377.36,1394 270,1395 101,1396 240.582,1397 137.808,1398 257.66,1399 365.67,1400 240,1401 4.491}
{0 CHEMBL1495977,1 1.971,2 10.75,3 4.692,4 22.015,5 91.452,6 10.571,7 0.741,8 3.696,9 3.762,10 3.641,11 3.391,12 4.962,13 3.355,14 4.167,15 4.257,16 4.105,17 3.762,18 5.513,19 3.719,20 4.256,21 4.375,22 3.998,23 3.773,24 5.586,25 3.703,26 4.259,27 4.387,28 4.028,29 3.669,30 5.577,31 3.582,32 4.012,33 4.138,34 3.799,35 3.444,36 5.336,37 3.383,38 3.985,39 4.165,40 3.646,41 3.423,42 5.221,43 3.324,44 3.883,45 4.029,46 3.551,47 3.404,48 5.092,49 3.272,50 3.753,51 3.883,52 3.361,53 3.199,54 5.064,55 3.148,56 0.131,57 0.557,58 2.583,59 2.871,60 8.452,61 2.465,62 0.385,63 0.945,64 8.292,65 5.074,66 26.002,67 4.302,68 0.356,69 1.065,70 12.873,71 6.567,72 30.987,73 5.154,74 0.5,75 1.058,76 16.698,77 7.084,78 57.387,79 4.646,80 0.334,81 0.831,82 10.362,83 5.057,84 27.223,85 3.66,86 0.342,87 0.741,88 10.165,89 4.925,90 28.433,91 5.354,92 0.301,93 0.743,94 16.703,95 5.788,96 26.256,97 4.597,98 0.269,99 0.653,100 7.779,101 3.705,102 27.096,103 2.788,104 12,105 39,106 0.353,107 0.67,108 0.741,109 0.833,110 0.865,111 0.886,112 3.228,113 0.953,114 -5.22,115 -5.11,116 -4.78,120 47.1,125 1,143 6,144 1,145 1,147 2,153 2,159 1,163 2,174 4,176 1,177 6,180 2,182 2,185 5,189 8,197 5,200 1,201 5,206 4,209 3,214 2,219 3,226 2,227 4,235 4,240 3,243 2,247 3,260 4,263 2,264 2,271 6,274 772,275 16.298,276 16.298,277 16.298,278 16.298,279 16.298,280 13.935,281 14.379,282 9.382,283 17.066,284 13.297,285 13.297,286 13.297,287 13.297,288 13.297,289 9.546,290 20.261,291 4.447,292 14.534,293 3.117,294 1.346,295 0.949,296 0.434,297 0.257,298 0.14,299 3.926,306 1,307 1,308 567,309 3,312 96.57,313 126.101,316 186.231,320 1.688,321 29.177,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53,333 258,334 4.522,335 3.652,336 6.322,337 3.993,338 3.069,339 4.46,340 1.674,341 9.739,342 2.881,343 4.47,344 3.13,345 6.265,346 3.921,347 2.994,348 4.419,349 0.4,350 9.55,351 2.759,352 4.02,353 3.006,354 5.936,355 3.618,356 2.665,357 3.47,359 8.305,360 2.506,361 3.709,362 2.74,363 5.378,364 3.252,365 2.346,366 3.139,368 6.971,369 2.097,370 3.436,371 2.369,372 4.986,373 2.98,374 2.068,375 2.745,377 5.895,378 1.863,379 3.132,380 1.946,381 4.762,382 2.584,383 1.702,384 2.396,386 5.091,387 1.48,388 3.024,389 1.686,390 4.445,391 2.454,392 1.527,393 2.281,395 4.366,396 1.398,397 3,398 1.523,399 4.396,400 2.441,401 1.513,402 2.227,404 4.262,405 1.387,406 2.812,407 1.506,408 4.095,409 2.313,410 1.37,411 1.872,413 3.429,414 1.268,415 1.947,416 1.46,417 3.159,418 1.37,419 0.473,420 0.689,422 1.187,423 0.416,424 1.904,425 0.648,426 3.158,427 1.345,428 0.452,429 0.634,431 1.094,432 0.397,433 1.469,434 0.452,435 2.921,436 1.081,437 0.157,438 0.194,440 0.226,441 0.14,442 1.178,443 0.111,444 2.575,445 0.754,446 -0.111,447 -0.138,449 -0.327,450 -0.095,451 0.909,452 -0.023,453 2.366,454 0.425,455 -0.452,456 -0.578,458 -1.161,459 -0.383,460 0.751,461 -0.181,462 2.204,463 0.272,464 -0.706,465 -1.001,467 -1.968,468 -0.674,469 11.819,470 0.492,471 0.639,472 0.027,473 34,474 1.417,475 18,476 0.75,477 16,478 0.667,479 17.261,480 0.719,481 24.181,482 0.711,483 22.282,484 0.928,485 6.581,486 0.274,487 5.037,488 0.21,489 0.095,491 0.381,494 1,496 0.693,497 0.904,498 0.654,499 0.754,500 0.553,501 0.71,502 0.708,503 0.92,504 0.745,505 0.854,506 0.564,507 0.723,508 1.051,509 1.146,510 1.23,511 1.135,512 0.974,513 1.036,514 1.307,515 1.06,516 1.12,517 1.063,518 1.395,519 1.068,520 0.956,521 1.085,522 1.137,523 1.192,524 0.878,525 1.061,526 0.424,527 0.619,528 0.675,529 0.698,530 0.414,531 0.797,532 0.739,533 0.953,534 1.83,535 1.4,536 0.679,537 1.064,538 0.932,539 0.882,540 1.078,541 1.055,542 0.918,543 1.116,544 6,545 0.123,546 2.444,547 2.083,548 0.987,549 0.935,550 0.274,551 0.367,552 0.148,553 0.148,554 6915,555 25262,556 2.135,557 29.4,559 9,562 1,567 1.664,568 2,569 3.411,570 -0.219,575 67,576 1.971,577 3.741,578 4.139,579 4.653,580 4.83,581 4.948,582 2.907,583 4.502,584 4.556,585 3.534,586 975.387,587 7.838,588 11489.8,590 1,593 172.974,594 1.406,595 4.518,596 0.222,597 0.009,598 0.063,599 0.058,600 0.033,601 0.036,602 0.011,603 0.017,604 0.008,605 0.009,606 0.465,607 0.17,608 1,609 0.948,610 114.856,611 -0.08,612 -0.051,613 0.027,614 0.046,615 -0.068,616 0.036,617 0.09,618 -0.022,619 0.141,620 0.076,621 0.06,622 0.113,623 -0.191,624 -0.116,625 -0.216,626 -0.122,627 -0.082,628 -0.131,629 -0.247,630 -0.102,631 -0.016,633 -0.251,634 -0.122,635 -0.054,636 -0.12,637 -0.061,638 -0.159,639 -0.059,640 -0.147,641 0.262,642 0.176,643 0.302,644 0.247,645 0.182,646 0.286,647 -0.011,648 0.067,649 -0.392,650 -0.106,651 -0.005,652 0.009,653 -0.053,654 0.069,655 -0.231,656 -0.169,657 -0.052,658 -0.218,659 2.048,660 5.255,661 0.75,662 21.042,663 1.034,664 1.11,665 3.985,666 15.882,667 0.771,668 3.332,669 3.689,670 3.97,671 4.263,672 4.466,673 4.585,674 4.754,675 4.883,676 4.898,677 5.017,678 6.215,679 0.746,680 359.43,681 3.332,682 4.89,683 5.753,684 6.645,685 7.523,686 8.419,687 9.304,688 10.201,689 11.089,690 11.986,691 8.8,699 1,701 2,708 4,709 6,710 2,713 2,714 4,716 20,726 1,729 1,737 1,738 34,739 21,740 2,741 27,743 37,744 16,745 14,746 6,747 6,748 1,752 4,753 6,768 15,769 1,772 1,778 1,782 1,786 1,787 1,789 10,790 6,791 1,792 8,793 2,797 3,803 0.5,804 2,822 2,823 2,826 2,855 2,857 2,859 1,861 1,862 24,871 1,872 1,879 2,885 1,886 5.9,889 1,891 1,893 12,894 6.71,895 5.167,896 1.854,898 4.088,899 1.539,900 1.048,901 3.985,902 11.676,903 3.664,904 4.363,905 5.022,906 5.688,907 6.225,908 6.624,909 7.098,910 7.531,911 7.703,912 8.159,913 1,914 36,915 8.845,917 3.874,918 7.986,919 16.451,921 13.597,924 2.486,925 59.667,929 105.94,930 156.575,931 51.582,933 36.145,934 14.96,935 62.555,936 94.02,937 142.085,938 66.542,939 10.883,941 56.857,942 65.907,943 46.607,944 16.452,945 168.495,947 105.94,948 145.602,949 51.105,950 62.555,952 120.9,953 36.145,956 23.301,957 88.73,958 33.571,959 62.555,960 120.9,961 87.727,962 156.575,965 105.94,966 88.835,967 67.741,968 18.011,969 84.676,970 105.94,971 102.687,972 156.575,973 0.59,974 0.345,975 0.183,976 0.099,977 21,978 9,979 0.108,980 4,981 2,982 1.222,983 3.7,984 199.299,985 0.222,986 18,987 110.039,989 2,993 15.548,994 6.151,995 3.049,996 3.152,997 102.687,998 9.692,999 8.882,1002 2.768,1003 1.498,1005 18.011,1006 365.202,1007 38,1013 11.589,1017 -0.381,1020 35.16,1021 37.754,1022 0.387,1023 0.735,1024 0.813,1025 0.915,1026 0.949,1027 0.973,1028 4.898,1029 1.513,1030 5.753,1031 4.366,1032 4.369,1033 5.05,1034 1.935,1035 6.569,1036 4.203,1037 6.145,1038 1.37,1039 7.314,1040 4.262,1041 4.007,1042 4.997,1044 7.413,1045 3.76,1046 7.478,1047 0.473,1048 8.965,1049 3.429,1050 5.979,1051 7.384,1052 2.82,1053 10.494,1054 5.673,1055 8.846,1056 0.452,1057 10.666,1058 1.187,1059 6.399,1060 8.146,1062 12.129,1063 6.005,1064 10.242,1065 0.157,1066 12.398,1067 1.094,1068 7.854,1069 10.009,1070 3.808,1071 14.705,1072 7.417,1073 11.659,1074 -0.111,1075 14.151,1076 0.226,1077 8.636,1078 11.158,1080 16.686,1081 8.11,1082 13.092,1083 -0.452,1084 15.921,1085 -0.327,1086 9.882,1087 12.806,1088 4.825,1089 19.07,1090 9.313,1091 3.069,1092 -0.706,1093 17.703,1094 -1.161,1095 10.835,1096 14.14,1098 21.206,1099 10.18,1100 2.994,1101 9.739,1102 19.494,1103 -1.968,1104 11.994,1105 15.696,1106 5.851,1107 23.514,1108 11.29,1109 2.665,1110 9.55,1111 21.292,1112 4.46,1113 13.027,1114 17.114,1116 25.719,1117 12.241,1118 2.346,1119 8.305,1120 23.097,1121 4.419,1122 14.151,1123 18.631,1124 6.88,1125 27.997,1126 13.31,1127 2.068,1128 6.971,1129 24.906,1130 3.47,1131 15.221,1132 20.089,1134 30.233,1135 14.303,1136 1.702,1137 5.895,1138 26.72,1139 3.139,1140 16.332,1141 21.589,1142 7.91,1143 32.5,1144 15.354,1145 1.527,1146 5.091,1147 28.537,1148 2.745,1149 17.42,1150 23.065,1152 34.751,1153 16.37,1154 6538,1155 12637,1156 18.205,1157 26.205,1158 41.118,1159 42.523,1160 42.314,1161 40.75,1162 40.673,1163 57.053,1164 4.149,1165 120.228,1166 37.185,1167 5.304,1168 5.652,1169 5.866,1170 5.165,1171 5.069,1172 7.46,1173 3.349,1174 16.212,1175 4.881,1176 11.131,1177 1.523,1178 1.575,1179 1.567,1180 1.509,1181 1.506,1182 2.113,1183 0.154,1184 4.453,1185 1.377,1186 4.094,1187 4.109,1188 4.368,1189 4.078,1190 8.201,1191 4.034,1192 4.013,1193 4.025,1194 4.262,1195 4.003,1196 7.433,1197 3.963,1198 3.55,1199 3.565,1200 3.631,1201 3.419,1202 5.009,1203 3.4,1204 3.372,1205 3.405,1206 3.511,1207 3.261,1208 4.884,1209 3.222,1210 3.18,1211 3.229,1212 3.196,1213 3.004,1214 4.508,1215 2.99,1216 2.935,1217 2.984,1218 2.915,1219 2.798,1220 4.281,1221 2.776,1222 2.897,1223 2.948,1224 2.856,1225 2.79,1226 4.077,1227 2.775,1228 2.777,1229 2.834,1230 2.695,1231 2.559,1232 3.706,1233 2.58,1234 0.167,1235 0.135,1236 0.234,1237 0.148,1238 0.114,1239 4.522,1240 0.165,1241 3.652,1242 0.062,1243 6.322,1244 0.361,1245 3.993,1246 0.107,1247 3.069,1248 4.46,1249 1.674,1250 9.739,1251 2.881,1252 1.916,1253 1.905,1254 1.972,1255 1.987,1256 1.127,1257 1.989,1258 1.89,1259 1.875,1260 1.946,1261 1.966,1262 1.087,1263 1.969,1264 1.449,1265 1.424,1266 1.593,1267 1.64,1268 0.583,1269 1.624,1270 1.282,1271 1.257,1272 1.388,1273 1.581,1274 0.567,1275 1.582,1276 1.116,1277 1.115,1278 1.177,1279 1.252,1280 0.337,1281 1.252,1282 0.977,1283 0.929,1284 1.087,1285 1.128,1286 0.197,1287 1.138,1288 0.891,1289 0.866,1290 1.039,1291 1.009,1292 0.138,1293 1.043,1294 0.811,1295 0.748,1296 0.944,1297 1,1298 0.057,1299 1.022,1300 4.007,1302 5.352,1303 3.045,1304 6.874,1305 5.416,1306 8.477,1307 7.516,1308 10.123,1310 1.349,1312 13.255,1317 3.141,1318 4.722,1326 25.359,1327 67,1328 127.199,1329 140.709,1330 158.219,1331 164.219,1332 168.219,1333 36.379,1334 7.588,1335 64.11,1336 120.59,1337 22,1338 12.511,1339 4.459,1340 3.585,1341 34.071,1342 90,1343 86,1344 0.188,1345 160.163,1346 262.23,1347 382.558,1348 20332,1349 2.9,1350 16.681,1351 0.695,1352 0.583,1353 16.518,1354 14.002,1355 11.619,1356 0.43,1357 0.318,1358 6.958,1359 10.213,1360 6.667,1361 5.493,1362 12.041,1363 8.575,1364 10.828,1365 0.278,1366 0.18,1367 11.531,1368 7.01,1369 9.242,1370 0.178,1371 0.101,1372 10.395,1373 5.241,1374 7.734,1375 0.11,1376 0.059,1377 9.271,1378 4.125,1379 6.144,1380 0.071,1381 0.032,1382 7.437,1383 2.718,1384 0.297,1385 81.66,1386 0.234,1387 23.544,1388 0.507,1389 132,1390 494.926,1391 200.777,1392 490.167,1393 662.18,1394 458,1395 157,1396 450.888,1397 214.873,1398 482.093,1399 712.17,1400 452,1401 6.796}
{0 CHEMBL1496329,1 2.023,2 8.556,3 2.082,4 4.333,5 61.243,6 11.152,7 0.579,8 3.365,9 3.432,10 3.235,11 2.859,12 4.802,13 2.925,14 3.783,15 3.852,16 3.611,17 3.175,18 5.437,19 3.24,20 3.945,21 4.058,22 3.579,23 3.119,24 5.569,25 3.173,26 3.79,27 3.917,28 3.325,29 2.923,30 5.381,31 3.004,32 3.609,33 3.745,34 3.174,35 2.76,36 5.143,37 2.827,38 3.528,39 3.613,40 3.191,41 2.706,42 5.462,43 2.788,44 3.367,45 3.479,46 3.023,47 2.633,48 4.886,49 2.654,50 3.192,51 3.334,52 2.928,53 2.386,54 4.834,55 2.412,56 0.243,57 0.361,58 1.052,59 1.695,60 20.064,61 1.291,62 0.446,63 0.505,64 1.87,65 2.794,66 53.902,67 2.211,68 0.719,69 0.513,70 8.749,71 3.305,72 63.252,73 2.652,74 0.547,75 0.443,76 6.502,77 2.794,78 64.821,79 2.014,80 0.474,81 0.361,82 5.761,83 2.487,84 63.943,85 2.285,86 0.5,87 0.321,88 4.974,89 2.127,90 76.4,91 1.527,92 0.383,93 0.281,94 3.847,95 2.106,96 44.992,97 1.611,98 0.294,99 0.228,100 4.018,101 1.731,102 27.792,103 1.815,104 18,105 26,106 0.399,107 0.727,108 0.823,109 0.889,110 0.889,111 0.889,112 2.959,113 0.807,114 -3.37,115 -3.35,116 -3.21,120 41.7,143 4,145 1,146 1,148 1,153 1,154 1,159 1,167 2,174 2,176 2,177 4,180 2,182 1,185 1,188 3,189 6,192 1,194 2,197 1,200 1,201 4,206 1,213 2,214 3,217 1,219 1,222 1,226 2,227 2,230 2,235 2,239 1,240 2,247 1,251 2,252 4,260 1,264 2,271 1,274 370,275 11.723,276 11.723,277 11.723,278 11.723,279 11.723,280 9.957,281 14.074,282 6.874,283 12.012,284 9.345,285 9.345,286 9.345,287 9.345,288 9.345,289 6.712,290 16.476,291 3.27,292 9.851,293 2.562,294 0.9,295 0.417,296 0.083,297 0.083,298 0.083,299 3.608,303 1,306 1,307 1,308 317,309 3,312 53.667,313 63.407,320 1.333,321 30.027,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.833,333 154,334 4.363,335 3.787,336 6.177,337 3.942,338 2.952,339 4.061,340 2.612,341 9.127,342 2.922,343 4.058,344 3.565,345 5.788,346 3.597,347 2.652,348 3.635,349 1.058,350 7.797,351 2.511,352 3.884,353 2.937,354 5.378,355 3.391,356 2.435,357 3.358,359 6.936,360 2.298,361 3.416,362 2.432,363 4.893,364 2.936,365 2.044,366 2.717,368 5.684,369 1.751,370 3.095,371 2.291,372 4.154,373 2.47,374 1.468,375 2.259,377 3.639,378 1.449,379 2.5,380 1.427,381 3.514,382 1.959,383 1,384 1.5,386 2.275,387 0.956,388 2.421,389 1,390 3.414,391 1.836,392 0.837,393 1.268,395 2.153,396 0.829,397 2.157,398 1,399 3.253,400 1.65,401 0.65,402 0.976,404 1.593,405 0.649,406 1.399,407 0.783,408 2.658,409 0.951,410 0.058,411 0.073,413 0.13,414 0.045,415 1,416 0.698,417 2,418 0.219,419 -0.663,420 -0.826,422 -1.605,423 -0.498,424 0.708,425 0.163,426 1.905,428 -1,429 -1.5,431 -2,432 -0.972,433 0.5,434 -0.654,435 1.765,436 -0.025,437 -1,438 -1.502,440 -3,441 -1,442 0.258,443 -0.872,444 1.548,445 -0.116,446 -1.128,447 -1.694,449 -3.031,450 -1.086,451 0.067,452 -1,453 1.252,454 -0.36,455 -1.316,456 -1.836,458 -3.295,459 -1.132,460 -0.079,461 -1.211,462 1.122,463 -0.582,464 -1.382,465 -2,467 -4.148,468 -1.357,469 8.248,470 0.458,471 0.527,472 0.029,473 27.25,474 1.514,475 15,476 0.833,477 12.25,478 0.681,479 8.999,480 0.5,481 19.352,482 0.806,483 18.214,484 1.012,485 5.627,486 0.313,487 2.931,488 0.163,489 0.208,491 0.352,496 0.62,497 1.213,498 0.483,499 0.827,500 0.572,501 0.745,502 0.671,503 1.203,504 0.618,505 1.023,506 0.511,507 0.98,508 0.879,509 1.086,510 1.183,511 1.044,512 0.743,513 1.115,514 1.303,515 1.121,516 1.016,517 1.019,518 1.298,519 1.045,520 0.979,521 0.752,522 0.665,523 0.846,524 1.248,525 0.902,526 1.027,527 0.871,528 1.054,529 0.844,530 0.884,531 0.935,532 1.053,533 0.822,534 0.998,535 1.002,536 0.946,537 1.128,538 0.539,539 1.074,540 0.818,541 1.161,542 0.615,543 1.132,544 4.5,545 0.058,546 2.222,547 0.875,548 1.162,549 0.396,550 0.232,551 0.231,552 0.121,553 0.08,554 2752,555 13911,556 1.963,557 25,559 4,561 1,562 1,567 1.582,568 1.8,569 3.113,570 -0.061,574 1,575 48.555,576 2.023,577 3.685,578 4.168,579 4.502,580 4.502,581 4.502,582 2.53,583 3.392,584 4.141,585 3.216,586 492.061,587 7.008,588 4702.24,590 1,592 1,593 110.039,594 1.53,595 4.076,596 0.237,597 0.019,598 0.085,599 0.038,600 0.061,601 0.025,602 0.014,603 0.019,604 0.012,605 0.011,606 0.523,607 0.67,608 1,609 0.946,610 77.255,611 0.041,612 -0.051,613 0.005,614 0.017,615 -0.049,616 -0.001,617 0.114,618 -0.127,619 0.01,620 -0.139,621 0.152,622 -0.177,623 0.076,624 -0.125,625 -0.174,626 -0.095,627 0.043,628 -0.152,629 -0.353,630 -0.162,631 -0.171,632 -0.104,633 -0.243,634 -0.07,635 -0.014,636 0.181,637 0.145,638 0.096,639 -0.192,640 0.163,641 0.054,642 0.075,643 -0.176,644 0.093,645 0.267,646 -0.046,647 -0.111,648 0.092,649 -0.013,650 0.001,651 -0.113,652 -0.086,653 0.35,654 -0.164,655 0.343,656 -0.154,657 0.232,658 0.012,659 2.725,660 4.634,661 0.611,662 12.457,663 1.071,664 1.129,665 2.137,666 4.566,667 0.717,668 2.996,669 3.296,670 3.466,671 3.611,672 3.738,673 3.689,674 3.526,675 3.555,676 3.497,677 3.434,678 5.079,679 0.742,680 267.64,681 2.996,682 4.511,683 5.323,684 6.172,685 7.006,686 7.854,687 8.696,688 9.545,689 10.39,690 11.239,691 12.5,698 1,701 1,702 1,709 5,710 1,712 1,714 4,716 11,723 1,731 1,737 1,738 24,739 14,741 19,743 25,744 10,745 9,748 1,752 2,753 2,754 1,768 10,772 3,775 1,778 3,782 1,786 1,788 1,789 6,790 6,791 1,792 8,793 1,797 3,803 1,804 4,816 1,822 1,823 1,855 2,860 1,862 18,871 1,885 1,886 16.7,889 1,891 1,892 2,893 10,894 4.376,895 3.972,896 1.22,898 2.135,899 1.357,900 0.943,901 3.598,902 8.106,903 3.35,904 3.946,905 4.42,906 4.897,907 5.268,908 5.421,909 5.285,910 5.518,911 5.784,912 6.073,913 0.833,914 23,915 6.567,917 2.811,918 8.525,919 11.487,921 8.759,924 3.025,925 54.444,929 58.856,930 67.954,931 40.466,932 39.149,933 85.399,936 67.954,937 183.403,938 40.466,939 5.67,940 18.011,941 37.905,942 58.406,943 27.075,944 7.777,945 47.084,946 89.896,947 58.856,948 108.421,949 85.399,950 39.149,952 58.856,953 34.652,954 50.747,956 32.078,957 53.887,958 61.604,960 58.856,961 125.866,962 107.103,965 58.856,966 21.002,967 52.622,968 18.011,969 141.333,970 58.856,971 125.866,972 107.103,973 0.586,974 0.325,975 0.153,976 0.085,977 12,978 6,979 0.12,980 3,982 1,983 3.045,984 119.779,986 11,987 73.059,993 12.545,994 5.163,995 3.071,997 120.195,998 6.724,999 3.846,1001 4.738,1003 0.035,1005 18.011,1006 291.824,1007 27.5,1010 -0.725,1013 32.406,1017 -0.627,1020 25.706,1021 27.107,1022 0.441,1023 0.804,1024 0.909,1025 0.982,1026 0.982,1027 0.982,1028 4.551,1029 0.65,1030 5.313,1031 2.153,1032 3.97,1033 4.63,1034 2.67,1035 6.061,1036 3.88,1037 5.775,1038 0.058,1039 6.847,1040 1.593,1041 3.611,1042 4.511,1043 2.361,1044 6.849,1045 3.451,1046 7.082,1047 -0.663,1048 8.474,1049 0.13,1050 5.517,1051 6.815,1052 4.193,1053 9.847,1054 5.357,1055 8.422,1056 -1,1057 10.151,1058 -1.605,1059 5.916,1060 7.47,1061 4.506,1062 11.399,1063 5.719,1064 9.788,1065 -1,1066 11.859,1067 -2,1068 7.324,1069 9.253,1070 5.955,1071 13.907,1072 7.12,1073 11.17,1074 -1.128,1075 13.588,1076 -3,1077 8.055,1078 10.253,1079 6.556,1080 15.785,1081 7.836,1082 12.566,1083 -1.316,1084 15.331,1085 -3.031,1086 9.263,1087 11.824,1088 7.796,1089 18.109,1090 9.033,1091 2.952,1092 -1.382,1093 17.085,1094 -3.295,1095 10.156,1096 12.998,1097 8.548,1098 20.145,1099 9.921,1100 2.652,1101 9.127,1102 18.848,1103 -4.148,1104 11.277,1105 14.471,1106 9.67,1107 22.393,1108 11.032,1109 2.435,1110 7.797,1111 20.617,1112 4.061,1113 12.251,1114 15.737,1115 10.509,1116 24.508,1117 12.005,1118 2.044,1119 6.936,1120 22.392,1121 3.635,1122 13.336,1123 17.164,1124 11.563,1125 26.726,1126 13.081,1127 1.468,1128 5.684,1129 24.171,1130 3.358,1131 14.353,1132 18.482,1133 12.452,1134 28.883,1135 14.098,1136 1,1137 3.639,1138 25.954,1139 2.717,1140 15.424,1141 19.887,1142 13.468,1143 31.09,1144 15.162,1145 0.837,1146 2.275,1147 27.741,1148 2.259,1149 16.464,1150 21.234,1151 14.386,1152 33.269,1153 16.201,1154 2826,1155 6468,1156 12.137,1157 17.216,1158 28.629,1159 30.197,1160 29.352,1161 28.319,1162 28.193,1163 39.693,1164 7.342,1165 78.667,1166 26.82,1167 5.193,1168 5.787,1169 5.591,1170 4.988,1171 4.952,1172 7.061,1173 4.612,1174 15.479,1175 4.868,1176 10.188,1177 1.507,1178 1.589,1179 1.545,1180 1.49,1181 1.484,1182 2.089,1183 0.386,1184 4.14,1185 1.412,1186 4.01,1187 4.019,1188 4.012,1189 3.806,1190 7.815,1191 3.838,1192 3.856,1193 3.89,1194 3.947,1195 3.722,1196 7.429,1197 3.738,1198 3.497,1199 3.509,1200 3.528,1201 3.104,1202 6.999,1203 3.186,1204 3.17,1205 3.206,1206 3.315,1207 2.84,1208 5.025,1209 2.908,1210 2.807,1211 2.869,1212 2.976,1213 2.641,1214 4.966,1215 2.655,1216 2.696,1217 2.727,1218 2.621,1219 2.461,1220 4.46,1221 2.491,1222 2.254,1223 2.267,1224 2.301,1225 1.841,1226 3.804,1227 1.876,1228 2.088,1229 2.181,1230 2.136,1231 1.772,1232 3.653,1233 1.842,1234 0.23,1235 0.199,1236 0.325,1237 0.207,1238 0.155,1239 4.363,1240 0.214,1241 3.787,1242 0.137,1243 6.177,1244 0.48,1245 3.942,1246 0.154,1247 2.952,1248 4.061,1249 2.612,1250 9.127,1251 2.922,1252 1.816,1253 1.783,1254 1.891,1255 1.973,1256 0.931,1257 1.949,1258 1.567,1259 1.539,1260 1.676,1261 1.947,1262 0.728,1263 1.826,1264 1.471,1265 1.474,1266 1.5,1267 1.69,1268 0.391,1269 1.661,1270 0.994,1271 0.952,1272 1.136,1273 1.299,1274 0.15,1275 1.27,1276 0.79,1277 0.747,1278 1.049,1279 1.089,1281 1.042,1282 0.658,1283 0.615,1284 0.779,1285 0.993,1287 0.981,1288 0.36,1289 0.356,1290 0.58,1291 0.711,1293 0.659,1296 0.32,1297 0.325,1299 0.32,1300 3.664,1302 4.963,1303 2.398,1304 6.431,1305 4.595,1306 7.971,1307 6.605,1308 9.546,1311 5.635,1317 2.413,1326 17.805,1327 48.555,1328 88.429,1329 100.039,1330 108.039,1331 108.039,1332 108.039,1333 35.184,1334 5.971,1335 100.95,1336 100.95,1337 11,1338 11.798,1339 3.907,1340 3.248,1341 31.161,1342 54,1343 52,1344 0.287,1345 116.116,1346 199.93,1347 275.083,1348 2436,1349 4.2,1350 13.121,1351 0.729,1352 0.53,1353 13.621,1354 9.548,1355 8.559,1356 0.45,1357 0.269,1358 4.644,1359 7.698,1360 4.578,1361 3.777,1362 8.847,1363 5.11,1364 7.916,1365 0.304,1366 0.14,1367 8.324,1368 3.647,1369 6.102,1370 0.197,1371 0.071,1372 6.391,1373 2.188,1374 4.458,1375 0.124,1376 0.036,1377 4.625,1378 1.287,1379 3.374,1380 0.082,1381 0.019,1382 3.61,1383 0.78,1384 0.448,1385 58.682,1386 0.287,1387 18.275,1388 0.788,1389 90,1390 418.769,1391 122.058,1392 420.402,1393 537.06,1394 384,1395 102,1396 364.855,1397 128.764,1398 365.528,1399 525.84,1400 341,1401 4.682}
{0 CHEMBL1496353,1 1.724,2 9.966,3 4.435,4 19.667,5 110.788,6 8.649,7 0.656,8 3.974,9 4.067,10 3.707,11 3.57,12 5.188,13 3.549,14 4.45,15 4.585,16 4.108,17 3.923,18 5.657,19 3.891,20 4.594,21 4.754,22 4.128,23 3.975,24 5.819,25 3.935,26 4.63,27 4.788,28 4.146,29 3.974,30 5.901,31 3.925,32 4.66,33 4.834,34 4.053,35 3.952,36 5.849,37 3.919,38 4.723,39 4.903,40 4.171,41 4.025,42 6.043,43 3.98,44 4.771,45 4.932,46 4.106,47 4.024,48 6.029,49 3.975,50 4.681,51 4.867,52 3.92,53 3.944,54 5.842,55 3.858,56 0.098,57 0.692,58 7.675,59 4.243,60 9.944,61 4.614,62 0.357,63 1.115,64 16.122,65 6.745,66 27.869,67 7.76,68 0.388,69 1.289,70 20.189,71 7.606,72 40.502,73 8.275,74 0.509,75 1.327,76 22.031,77 8.226,78 52.09,79 8.911,80 0.496,81 1.311,82 22.62,83 8.022,84 45.398,85 8.648,86 0.601,87 1.388,88 25.284,89 9.238,90 68.201,91 10.83,92 0.659,93 1.397,94 27.858,95 9.625,96 67.838,97 9.55,98 0.392,99 1.255,100 22.301,101 9.18,102 50.438,103 10.446,104 20,105 45,106 0.289,107 0.642,108 0.74,109 0.827,110 0.861,111 0.861,112 3.409,113 0.912,114 -4.59,115 -4.51,116 -4.25,120 44.7,121 1,122 1,125 1,143 9,144 1,145 1,147 2,153 1,154 1,158 1,159 1,163 1,167 1,174 7,176 2,177 12,180 1,182 1,185 9,188 1,189 6,192 1,197 5,200 4,201 10,204 2,206 3,209 7,213 2,214 5,222 5,226 3,227 10,230 2,232 4,235 7,239 2,240 6,245 4,247 6,252 10,257 1,260 7,264 12,271 4,274 1425,275 19.731,276 19.731,277 19.731,278 19.731,279 19.731,280 16.88,281 20.271,282 11.662,283 20.311,284 15.755,285 15.755,286 15.755,287 15.755,288 15.755,289 11.439,290 26.015,291 5.513,292 16.64,293 3.831,294 1.725,295 1.141,296 0.62,297 0.415,298 0.415,299 4.102,306 1,307 1,308 627,309 3.606,312 145.178,313 187.063,316 125.505,320 1.558,321 31.441,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 63,333 289,334 4.67,335 3.724,336 6.937,337 4.242,338 3.297,339 4.503,340 2.491,341 11.642,342 3.131,343 4.424,344 3.441,345 6.341,346 3.89,347 2.966,348 4.256,349 0.986,350 9.724,351 2.73,352 4.006,353 3.069,354 5.966,355 3.546,356 2.586,357 3.561,358 0.473,359 8.296,360 2.484,361 3.755,362 2.815,363 5.445,364 3.389,365 2.427,366 3.143,368 7.2,369 2.313,370 3.624,371 2.471,372 5.226,373 3.242,374 2.271,375 2.849,377 6.387,378 2.187,379 3.271,380 2.222,381 4.828,382 2.754,383 1.805,384 2.532,386 4.936,387 1.701,388 3.038,389 1.99,390 4.7,391 2.578,392 1.655,393 2.298,395 4.729,396 1.522,397 3.032,398 1.532,399 4.414,400 2.462,401 1.532,402 2.223,404 4.312,405 1.426,406 2.89,407 1.485,408 4.096,409 2.424,410 1.443,411 2.046,413 3.259,414 1.391,415 2.77,416 1.461,417 3.601,418 2.294,419 1.328,420 1.87,422 2.938,423 1.271,424 2.5,425 1.415,426 3.554,427 2,428 1,429 1.5,431 2.492,432 1,433 2.376,434 1,435 3.247,436 1.811,437 0.87,438 1.278,440 2.136,441 0.809,442 1.847,443 0.956,444 3.028,445 1.262,446 0.389,447 0.521,449 0.86,450 0.335,451 1.508,452 0.709,453 3,454 1.239,455 0.347,456 0.414,458 0.595,459 0.304,460 1.263,461 0.347,462 2.728,463 0.893,464 -0.063,465 -0.077,467 -0.148,468 -0.059,469 13.933,470 0.48,471 0.695,472 0.024,473 40.75,474 1.405,475 22,476 0.759,477 18.75,478 0.647,479 23.1,480 0.797,481 29.867,482 0.635,483 31.005,484 1.069,485 8.16,486 0.281,487 5.903,488 0.204,489 0.12,491 0.352,496 0.789,497 1.122,498 0.692,499 0.91,500 0.747,501 0.847,502 0.717,503 1.172,504 0.723,505 0.914,506 0.612,507 0.823,508 1.11,509 1.13,510 0.976,511 0.947,512 1.062,513 0.892,514 0.925,515 1.158,516 1.076,517 1.111,518 1.064,519 1.028,520 1.322,521 1.007,522 1.05,523 0.909,524 1.32,525 0.904,526 0.775,527 0.999,528 0.877,529 0.963,530 0.693,531 0.878,532 1.593,533 1.015,534 1.279,535 1.108,536 1.613,537 1.07,538 1.232,539 1.052,540 0.99,541 1.021,542 1.27,543 1.124,544 5.5,545 0.134,546 2.889,547 2.646,548 1.763,549 1.222,550 0.838,551 0.564,552 0.332,553 0.228,554 10190,555 30274,556 2.09,557 38.3,559 12,562 1,563 5,567 1.727,568 1.955,569 3.301,570 -0.302,572 1,575 81.013,576 1.724,577 3.83,578 4.413,579 4.935,580 5.139,581 5.139,582 2.777,583 4.375,584 4.825,585 3.479,586 1412.32,587 8.448,588 18881.5,590 1,592 1,593 261.066,594 1.416,595 4.788,596 0.172,597 0.006,598 0.064,599 0.059,600 0.04,601 0.028,602 0.018,603 0.013,604 0.009,605 0.008,606 0.418,607 0.17,608 1,609 1.064,610 145.433,611 -0.027,612 -0.06,613 0.054,614 0.011,615 -0.103,616 0.011,617 0.173,618 -0.118,619 0.179,620 0.051,621 0.059,622 0.08,623 -0.106,624 -0.038,625 -0.004,626 0.015,627 -0.082,629 0.121,630 -0.061,631 -0.045,632 -0.118,633 0.047,634 -0.132,635 -0.158,636 0.052,637 -0.111,638 0.009,639 -0.177,640 -0.011,641 0.26,642 0.021,643 0.115,644 0.009,645 0.33,646 0.072,647 -0.228,648 -0.003,649 -0.239,650 -0.115,651 -0.187,652 -0.162,653 -0.172,654 -0.116,655 -0.086,656 -0.085,657 -0.132,658 -0.153,659 2.118,660 4.956,661 0.69,662 28.35,663 1.014,664 1.116,665 3.363,666 11.31,667 0.71,668 3.497,669 3.829,670 4.127,671 4.431,672 4.625,673 4.771,674 4.927,675 5.069,676 5.153,677 5.209,678 6.237,679 0.683,680 406.5,681 3.497,682 5.043,683 5.905,684 6.797,685 7.681,686 8.585,687 9.48,688 10.391,689 11.294,690 12.209,691 8.5,699 1,700 1,701 2,708 2,709 9,710 2,713 1,714 5,715 1,716 21,719 1,734 1,738 47,739 23,740 2,741 32,743 50,744 21,745 16,746 3,747 9,748 1,752 4,753 5,759 1,766 1,768 18,769 3,772 2,778 1,781 1,782 2,786 1,789 18,790 6,791 1,792 8,793 1,797 4,803 0.75,804 3,814 1,822 2,823 2,826 1,841 1,855 3,857 1,859 2,862 29,868 1,869 1,872 1,879 1,886 6.4,888 1,889 1,891 1,893 14.833,894 9.25,895 6.417,896 2.634,898 4.255,899 1.559,900 0.979,901 5.519,902 11.869,903 3.818,904 4.466,905 5.1,906 5.749,907 6.252,908 6.664,909 7.154,910 7.644,911 8.012,912 8.401,913 0.857,914 45,915 10.707,917 4.579,918 7.839,919 20.064,921 16.188,924 2.339,925 67.833,928 1,929 200.109,930 160.845,931 52.011,933 78.828,935 31.278,936 129.567,937 278.937,938 52.011,939 19.708,940 2.535,941 85.286,942 111.225,943 40.906,944 0.746,945 231.386,947 200.109,948 181.577,949 78.828,950 31.278,952 200.109,953 78.828,956 35.323,957 112.805,958 33.449,959 31.278,960 200.109,961 130.839,962 160.845,965 200.109,966 55.85,967 106.771,969 129.062,970 200.109,971 130.839,972 160.845,973 0.579,974 0.343,975 0.189,976 0.102,977 22,978 10,979 0.12,980 6,981 1,982 1.1,983 3.992,984 262.274,985 0.1,986 20,987 134.881,989 1,993 19.434,994 8.236,995 3.974,996 1.788,997 129.062,998 17.065,999 9.003,1002 1.4,1003 1.916,1004 1.349,1005 42.683,1006 491.792,1007 44.5,1013 11.906,1016 4.568,1017 0.09,1020 47.651,1021 52.448,1022 0.31,1023 0.69,1024 0.795,1025 0.888,1026 0.925,1027 0.925,1028 5.045,1029 1.532,1030 5.894,1031 4.729,1032 4.511,1033 5.153,1034 2.633,1035 6.73,1036 4.402,1037 6.276,1038 1.443,1039 7.466,1040 4.312,1041 4.111,1042 4.987,1043 2.243,1044 7.67,1045 3.935,1046 7.598,1047 1.328,1048 9.139,1049 3.259,1050 6.12,1051 7.419,1052 3.97,1053 10.815,1054 5.903,1055 8.959,1056 1,1057 10.874,1058 2.938,1059 6.567,1060 8.115,1061 4.356,1062 12.626,1063 6.267,1064 10.354,1065 0.87,1066 12.649,1067 2.492,1068 8.042,1069 9.996,1070 5.612,1071 15.292,1072 7.711,1073 11.773,1074 0.389,1075 14.453,1076 2.136,1077 8.879,1078 11.106,1079 6.296,1080 17.463,1081 8.466,1082 13.212,1083 0.347,1084 16.279,1085 0.86,1086 10.152,1087 12.757,1088 7.364,1089 19.972,1090 9.703,1091 3.297,1092 -0.063,1093 18.123,1094 0.595,1095 11.17,1096 14.067,1097 8.171,1098 22.296,1099 10.647,1100 2.966,1101 11.642,1102 19.98,1103 -0.148,1104 12.368,1105 15.619,1106 9.157,1107 24.755,1108 11.803,1109 2.586,1110 9.724,1111 21.848,1112 4.503,1113 13.469,1114 17.023,1115 10.02,1116 27.145,1117 12.839,1118 2.427,1119 8.296,1120 23.726,1121 4.256,1122 14.644,1123 18.535,1124 10.968,1125 29.59,1126 13.967,1127 2.271,1128 7.2,1129 25.611,1130 3.561,1131 15.784,1132 19.983,1133 11.856,1134 32.011,1135 15.049,1136 1.805,1137 6.387,1138 27.502,1139 3.143,1140 16.954,1141 21.479,1142 12.786,1143 34.454,1144 16.171,1145 1.655,1146 4.936,1147 29.399,1148 2.849,1149 18.113,1150 22.948,1151 13.687,1152 36.889,1153 17.276,1154 9744,1155 16977,1156 21.383,1157 33.364,1158 48.486,1159 49.099,1160 50.017,1161 47.755,1162 47.832,1163 65.989,1164 7.9,1165 139.01,1166 45.21,1167 5.482,1168 5.724,1169 6.739,1170 5.383,1171 5.297,1172 7.503,1173 4.241,1174 19.135,1175 5.131,1176 13.594,1177 1.515,1178 1.534,1179 1.563,1180 1.492,1181 1.495,1182 2.062,1183 0.247,1184 4.344,1185 1.413,1186 4.105,1187 4.132,1188 4.341,1189 4.058,1190 7.432,1191 4.022,1192 3.941,1193 3.969,1194 3.934,1195 3.858,1196 6.471,1197 3.86,1198 3.847,1199 3.881,1200 3.791,1201 3.74,1202 5.014,1203 3.752,1204 3.525,1205 3.539,1206 3.483,1207 3.303,1208 4.863,1209 3.306,1210 3.395,1211 3.461,1212 3.412,1213 3.262,1214 4.705,1215 3.251,1216 3.204,1217 3.259,1218 3.202,1219 3.039,1220 4.491,1221 3.037,1222 3.052,1223 3.123,1224 2.866,1225 2.811,1226 4.373,1227 2.796,1228 2.884,1229 2.939,1230 2.825,1231 2.785,1232 4.206,1233 2.768,1234 0.146,1235 0.116,1236 0.217,1237 0.133,1238 0.103,1239 4.67,1240 0.141,1241 3.724,1242 0.078,1243 6.937,1244 0.364,1245 4.242,1246 0.098,1247 3.297,1248 4.503,1249 2.491,1250 11.642,1251 3.131,1252 1.898,1253 1.88,1254 2.014,1255 1.995,1256 1.1,1257 2.003,1258 1.898,1259 1.867,1260 1.98,1261 1.965,1262 1.075,1263 1.979,1264 1.681,1265 1.657,1266 1.812,1267 1.829,1268 0.995,1269 1.819,1270 1.512,1271 1.475,1272 1.672,1273 1.765,1274 0.765,1275 1.726,1276 1.359,1277 1.32,1278 1.535,1279 1.62,1280 0.57,1281 1.605,1282 1.161,1283 1.081,1284 1.417,1285 1.437,1286 0.567,1287 1.469,1288 0.986,1289 0.95,1290 1.181,1291 1.205,1292 0.281,1293 1.202,1294 0.917,1295 0.881,1296 1.178,1297 1.093,1298 0.218,1299 1.107,1300 4.174,1302 5.501,1303 3.045,1304 7.017,1305 5.476,1306 8.617,1307 7.636,1308 10.264,1310 3.088,1314 10.956,1315 -0.084,1318 4.787,1326 32.105,1327 81.013,1328 180.007,1329 207.417,1330 231.946,1331 241.556,1332 241.556,1333 51.269,1334 7.613,1335 89.6,1336 117.84,1337 22,1338 12.723,1339 4.585,1340 3.755,1341 44.348,1342 105,1343 112,1344 0.203,1345 200.731,1346 338.66,1347 481.545,1348 19712,1350 20.38,1351 0.703,1352 0.575,1353 20.734,1354 16.681,1355 14.063,1356 0.439,1357 0.304,1358 8.844,1359 13.071,1360 8.518,1361 7.089,1362 14.471,1363 9.725,1364 12.598,1365 0.28,1366 0.163,1367 13.241,1368 7.316,1369 10.774,1370 0.177,1371 0.088,1372 11.58,1373 5.363,1374 9.212,1375 0.111,1376 0.047,1377 10.139,1378 3.912,1379 7.05,1380 0.07,1381 0.025,1382 7.864,1383 2.528,1384 0.311,1385 92.492,1386 0.216,1387 27.213,1388 0.581,1389 154,1390 493.062,1391 197.117,1392 495.547,1393 681.18,1394 464,1395 183,1396 493.459,1397 223.605,1398 513.341,1399 754.43,1400 482,1401 6.796}
{0 CHEMBL1496413,1 1.624,2 10.917,3 4.462,4 19.91,5 104.701,6 7.99,7 0.423,8 3.887,9 4.011,10 3.56,11 3.522,12 4.932,13 3.441,14 4.418,15 4.589,16 3.945,17 3.924,18 5.422,19 3.813,20 4.675,21 4.877,22 3.972,23 4.057,24 5.662,25 3.902,26 4.755,27 4.992,28 3.962,29 4.012,30 5.712,31 3.828,32 4.604,33 4.849,34 3.836,35 3.82,36 5.659,37 3.63,38 4.362,39 4.581,40 3.575,41 3.606,42 5.46,43 3.442,44 4.222,45 4.458,46 3.651,47 3.517,48 5.285,49 3.361,50 4.16,51 4.372,52 3.426,53 3.474,54 5.285,55 3.336,56 0.067,57 0.663,58 9.439,59 4.316,60 7.068,61 5.539,62 0.176,63 1.096,64 19.649,65 7.78,66 19.251,67 10.106,68 0.226,69 1.366,70 28.545,71 10.829,72 30.544,73 13.419,74 0.263,75 1.45,76 34.464,77 11.782,78 33.442,79 14.126,80 0.307,81 1.258,82 34.146,83 10.733,84 46.964,85 12.191,86 0.268,87 1.017,88 25.344,89 7.59,90 41.723,91 8.165,92 0.208,93 0.89,94 23.082,95 6.64,96 26.359,97 7.34,98 0.192,99 0.778,100 18.67,101 6.289,102 32.834,103 7.123,104 17,105 36,106 0.282,107 0.65,108 0.831,109 0.885,110 0.892,111 0.892,112 3.228,113 1.079,114 -4.77,115 -4.69,116 -4.4,120 40,121 2,122 3,123 1,143 4,144 3,145 1,152 1,153 1,159 1,160 1,171 1,174 11,177 1,180 1,181 1,182 3,185 15,189 1,192 1,193 1,194 5,197 11,201 2,206 6,209 5,214 2,217 1,219 10,222 1,227 1,232 8,240 3,245 5,247 2,252 3,257 3,260 5,264 1,269 1,271 8,274 782,275 15.999,276 15.999,277 15.999,278 15.999,279 15.999,280 14.327,281 17.192,282 9.428,283 16.367,284 12.809,285 12.809,286 12.809,287 12.809,288 12.809,289 10.205,290 15.554,291 4.475,292 13.393,293 3.868,294 1.744,295 0.7,296 0.389,297 0.345,298 0.345,299 3.906,306 1,307 1,308 561,309 3.464,312 55.535,313 154.098,316 103.071,320 1.597,321 16.7,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 50.5,333 262,334 4.49,335 3.79,336 6.686,337 4.123,338 3.149,339 4.157,340 1.737,341 10.782,342 3.069,343 4.185,344 3.603,345 6.052,346 3.801,347 2.831,348 3.787,349 0.98,350 8.693,351 2.753,352 3.739,353 3.096,354 5.674,355 3.49,356 2.5,357 2.972,358 0.142,359 7.492,360 2.469,361 3.559,362 2.906,363 5.022,364 3.158,365 2.245,366 2.755,368 5.987,369 2.06,370 3.188,371 2.244,372 4.919,373 2.972,374 2.011,375 2.225,377 5.586,378 1.89,379 2.879,380 1.858,381 4.447,382 2.469,383 1.528,384 2.044,386 4.209,387 1.424,388 2.818,389 1.687,390 4.118,391 2.414,392 1.414,393 1.931,395 3.648,396 1.414,397 2.767,398 1.475,399 3.922,400 2.383,401 1.414,402 1.815,404 3.062,405 1.357,406 2.572,407 1.439,408 3.596,409 2.107,410 1.168,411 1.569,413 2.942,414 1.077,415 1.809,416 1.262,417 3.225,418 1.532,419 0.628,420 0.721,422 1.487,423 0.552,424 1.682,425 0.674,426 2.982,427 1.354,428 0.364,429 0.439,431 0.849,432 0.356,433 1.392,434 0.609,435 2.493,436 0.989,437 0.035,438 0.044,440 0.076,441 0.033,442 0.786,443 0.16,444 2.373,445 0.588,446 -0.395,447 -0.43,449 -0.957,450 -0.386,451 0.727,452 -0.142,453 2,454 0.364,455 -0.597,456 -0.752,458 -1.396,459 -0.56,460 0.531,461 -0.266,462 2,463 0.158,464 -0.798,465 -0.897,467 -2.238,468 -0.719,469 12.2,470 0.508,471 0.63,472 0.026,473 27.25,474 1.135,475 13,476 0.542,477 14.25,478 0.594,479 23.142,480 0.964,481 25.6,482 0.569,483 17.217,484 0.717,485 4.933,486 0.206,487 6.609,488 0.275,489 0.178,491 0.328,496 0.76,497 0.941,498 0.694,499 0.764,500 0.582,501 0.858,502 0.529,503 1.049,504 0.742,505 0.912,506 0.462,507 0.93,508 0.761,509 1.144,510 0.973,511 1.085,512 0.775,513 1.099,514 1.116,515 1.133,516 1.005,517 1.066,518 1.108,519 1.039,520 1.138,521 1.17,522 1.181,523 1.168,524 1.115,525 0.959,526 2.167,527 1.14,528 1.445,529 1.124,530 2.176,531 1.022,532 1.603,533 0.895,534 0.906,535 0.779,536 1.349,537 0.771,538 1.943,539 0.829,540 1.097,541 0.88,542 2.141,543 0.851,544 5,545 0.097,546 3.111,547 1.757,548 1.481,549 0.507,550 0.405,551 0.325,552 0.173,553 0.186,554 6791,555 16958,556 2.04,557 46.7,558 11,559 4,560 1,562 3,563 2,567 1.664,568 1.895,569 3.403,570 0.998,572 1,575 73.081,576 1.624,577 3.748,578 4.792,579 5.103,580 5.147,581 5.147,582 2.887,583 4.335,584 4.561,585 3.563,586 983.325,587 7.842,588 11912,590 1,592 1,593 247.133,594 1.459,595 4.507,596 0.192,597 0.005,598 0.086,599 0.05,600 0.049,601 0.02,602 0.019,603 0.015,604 0.009,605 0.01,606 0.456,607 0.33,608 1,609 0.622,610 115.776,611 0.014,612 0.157,613 0.036,614 0.091,615 -0.036,616 0.064,617 0.231,618 -0.02,619 0.087,620 -0.001,621 0.15,622 0.028,623 0.119,624 -0.149,625 -0.054,626 -0.131,627 0.065,628 -0.129,629 -0.013,630 -0.146,631 0.014,632 -0.077,633 -0.037,634 -0.07,635 0.121,636 -0.155,637 0.032,638 -0.067,639 0.155,640 0.027,641 -0.404,642 -0.029,643 -0.238,644 -0.064,645 -0.341,646 -0.107,647 -0.158,648 0.188,649 0.179,650 0.209,651 -0.035,652 0.153,653 -0.287,654 0.177,655 -0.068,656 0.105,657 -0.155,658 0.087,659 1.795,660 5.429,661 0.625,662 19.764,663 0.994,664 1.117,665 3.544,666 12.563,667 0.703,668 3.296,669 3.611,670 3.85,671 4.078,672 4.234,673 4.19,674 4.22,675 4.234,676 4.094,677 4.127,678 6.413,679 0.642,680 359.56,681 3.296,682 4.828,683 5.666,684 6.535,685 7.392,686 8.264,687 9.129,688 10.002,689 10.872,690 11.747,691 6.7,698 3,709 5,713 1,714 5,716 11,738 45,739 13,740 1,741 26,743 47,744 18,745 10,746 2,747 4,748 1,752 3,753 4,757 1,759 2,763 3,764 1,766 3,768 12,769 6,770 1,772 2,778 1,779 1,782 2,786 1,789 21,790 4,791 3,792 6,793 2,797 3,801 1,803 0.667,804 1,822 1,823 2,826 1,855 2,857 2,859 2,862 24,869 3,871 3,874 1,880 1,886 2.2,889 1,893 12.667,894 8.5,895 5.278,896 2.743,898 1.924,899 1.279,900 0.983,901 5.638,902 8.818,903 3.541,904 4.09,905 4.586,906 5.083,907 5.419,908 5.447,909 5.543,910 5.671,911 5.554,912 5.648,913 1,914 35,915 8.875,917 3.712,918 7.646,919 17.224,921 14.2,924 2.146,925 51.5,928 1,929 211.88,930 165.939,931 53.787,933 25.145,935 76.47,936 89.469,937 237.025,938 53.787,939 17.65,940 61.391,941 45.554,942 29.85,943 12.313,944 13.414,945 231.386,946 45.192,947 211.88,948 143.256,949 25.145,950 76.47,952 211.88,953 25.145,956 79.041,957 64.215,959 76.47,960 211.88,961 78.932,962 165.939,965 211.88,966 57.542,967 63.204,968 53.787,969 70.337,970 211.88,971 78.932,972 165.939,973 0.583,974 0.337,975 0.178,976 0.097,977 17,978 8,979 0.064,980 3,981 1,982 1.133,983 3.664,984 186.507,985 0.133,986 15,987 108.039,989 1,990 1,993 17.522,994 7.723,995 4.225,997 78.932,998 9.815,1002 1.686,1003 5.336,1005 53.787,1006 456.751,1007 33.5,1013 12.429,1014 5.246,1017 0.242,1020 44.738,1021 50.281,1022 0.296,1023 0.682,1024 0.872,1025 0.929,1026 0.937,1027 0.937,1028 4.777,1029 1.414,1030 5.652,1031 3.648,1032 4.29,1033 4.775,1034 2.084,1035 6.444,1036 4.212,1037 5.969,1038 1.168,1039 7.204,1040 3.062,1041 3.892,1042 4.59,1043 1.305,1044 7.322,1045 3.795,1046 7.267,1047 0.628,1048 8.856,1049 2.942,1050 5.866,1051 6.892,1052 2.724,1053 10.41,1054 5.733,1055 8.599,1056 0.364,1057 10.566,1058 1.487,1059 6.275,1060 7.54,1061 2.523,1062 12.142,1063 6.126,1064 9.964,1065 0.035,1066 12.315,1067 0.849,1068 7.732,1069 9.331,1070 3.583,1071 14.753,1072 7.554,1073 11.353,1074 -0.395,1075 14.092,1076 0.076,1077 8.517,1078 10.368,1079 3.713,1080 16.846,1081 8.322,1082 12.76,1083 -0.597,1084 15.889,1085 -0.957,1086 9.768,1087 11.949,1088 4.562,1089 19.294,1090 9.547,1091 3.149,1092 -0.798,1093 17.704,1094 -1.396,1095 10.732,1096 13.172,1097 4.876,1098 21.543,1099 10.49,1100 2.831,1101 10.782,1102 19.53,1103 -2.238,1104 11.901,1105 14.66,1106 5.601,1107 23.936,1108 11.635,1109 2.5,1110 8.693,1111 21.368,1112 4.157,1113 12.95,1114 15.975,1115 6.017,1116 26.252,1117 12.66,1118 2.245,1119 7.492,1120 23.214,1121 3.787,1122 14.088,1123 17.42,1124 6.671,1125 28.629,1126 13.774,1127 2.011,1128 5.987,1129 25.067,1130 2.972,1131 15.179,1132 18.78,1133 7.143,1134 30.976,1135 14.84,1136 1.528,1137 5.586,1138 26.926,1139 2.755,1140 16.309,1141 20.207,1142 7.755,1143 33.348,1144 15.945,1145 1.414,1146 4.209,1147 28.79,1148 2.225,1149 17.42,1150 21.591,1151 8.261,1152 35.71,1153 17.03,1154 6575,1155 10550,1156 17.107,1157 31.62,1158 39.237,1159 41.125,1160 40.365,1161 38.601,1162 38.577,1163 48.919,1164 5.718,1165 109.625,1166 36.907,1167 5.44,1168 5.79,1169 6.374,1170 5.219,1171 5.149,1172 7.157,1173 3.075,1174 17.863,1175 5.069,1176 12.318,1177 1.509,1178 1.582,1179 1.552,1180 1.485,1181 1.484,1182 1.881,1183 0.22,1184 4.216,1185 1.419,1186 4.021,1187 4.04,1188 4.265,1189 4.025,1190 7.429,1191 3.97,1192 3.926,1193 3.958,1194 3.965,1195 3.863,1196 4.913,1197 3.856,1198 3.614,1199 3.668,1200 3.762,1201 3.488,1202 4.685,1203 3.464,1204 3.449,1205 3.503,1206 3.51,1207 3.368,1208 4.601,1209 3.293,1210 3.173,1211 3.257,1212 3.351,1213 3.028,1214 4.098,1215 3.001,1216 3.143,1217 3.212,1218 2.967,1219 3.02,1220 3.991,1221 2.969,1222 3.119,1223 3.18,1224 2.945,1225 2.924,1226 3.901,1227 2.921,1228 2.845,1229 2.941,1230 2.773,1231 2.714,1232 3.759,1233 2.685,1234 0.173,1235 0.146,1236 0.257,1237 0.159,1238 0.121,1239 4.49,1240 0.16,1241 3.79,1242 0.067,1243 6.686,1244 0.415,1245 4.123,1246 0.118,1247 3.149,1248 4.157,1249 1.737,1250 10.782,1251 3.069,1252 1.915,1253 1.886,1254 2.057,1255 2.01,1256 1.427,1257 2.022,1258 1.88,1259 1.844,1260 2.034,1261 1.989,1262 1.136,1263 2.016,1264 1.558,1265 1.539,1266 1.67,1267 1.766,1268 0.882,1269 1.738,1270 1.318,1271 1.276,1272 1.553,1273 1.517,1274 0.677,1275 1.538,1276 1.235,1277 1.206,1278 1.489,1279 1.418,1280 0.607,1281 1.469,1282 1.207,1283 1.127,1284 1.37,1285 1.37,1286 0.603,1287 1.419,1288 1.096,1289 1.025,1290 1.325,1291 1.278,1292 0.375,1293 1.333,1294 0.882,1295 0.809,1296 1.134,1297 1.143,1298 0.282,1299 1.157,1300 3.97,1302 5.283,1303 2.398,1304 6.781,1305 4.727,1306 8.365,1307 6.843,1308 9.994,1310 4.266,1315 3.202,1317 8.575,1320 0.705,1326 28.894,1327 73.081,1328 168.663,1329 215.624,1330 229.624,1331 231.624,1332 231.624,1333 39.252,1334 6.894,1335 53.16,1336 113.49,1337 17,1338 12.288,1339 3.807,1340 3.087,1341 39.528,1342 94,1343 80,1344 0.206,1345 187.402,1346 321.41,1347 449.02,1348 9069,1350 17.104,1351 0.713,1352 0.643,1353 17.958,1354 15.443,1355 11.542,1356 0.444,1357 0.36,1358 8.114,1359 10.567,1360 7.72,1361 6.458,1362 12.285,1363 9.353,1364 10.501,1365 0.292,1366 0.212,1367 11.46,1368 7.62,1369 8.564,1370 0.186,1371 0.121,1372 9.496,1373 5.584,1374 6.884,1375 0.119,1376 0.074,1377 8.026,1378 4.321,1379 5.454,1380 0.08,1381 0.044,1382 6.471,1383 3.022,1384 0.329,1385 78.572,1386 0.242,1387 23.762,1388 0.547,1389 124,1390 320.455,1391 167.972,1392 361.159,1393 486.85,1394 336,1395 144,1396 328.248,1397 180.328,1398 358.183,1399 519.2,1400 336,1401 6.796}
{0 CHEMBL1496534,1 1.818,2 10.034,3 2.626,4 6.897,5 104.989,6 9.032,7 0.375,8 3.972,9 4.046,10 3.835,11 3.551,12 5.16,13 3.536,14 4.493,15 4.609,16 4.133,17 3.922,18 5.933,19 3.898,20 4.712,21 4.849,22 4.243,23 4.063,24 6.105,25 4.02,26 4.843,27 4.999,28 4.203,29 4.034,30 6.204,31 4.01,32 4.797,33 4.97,34 4.219,35 4.002,36 6.067,37 3.981,38 4.764,39 4.902,40 4.244,41 4.001,42 6.252,43 3.977,44 4.809,45 4.955,46 4.152,47 3.913,48 6.325,49 3.92,50 4.59,51 4.728,52 3.973,53 3.775,54 6.111,55 3.766,56 0.238,57 0.704,58 8.874,59 4.584,60 26.584,61 4.59,62 0.615,63 1.098,64 15.143,65 7.305,66 94.233,67 7.8,68 0.679,69 1.355,70 23.63,71 9.841,72 78.567,73 10.242,74 0.97,75 1.419,76 28.583,77 10.356,78 147.592,79 10.423,80 0.907,81 1.389,82 26.308,83 9.272,84 129.14,85 9.523,86 0.934,87 1.345,88 29.944,89 10.37,90 152.82,91 9.75,92 1.307,93 1.255,94 29.512,95 9.539,96 174.387,97 9.226,98 0.902,99 1.037,100 20.915,101 7.876,102 147.712,103 8.028,104 38,105 48,106 0.307,107 0.629,108 0.772,109 0.845,110 0.855,111 0.855,112 3.409,113 0.965,114 -3.07,115 -3.07,116 -2.96,120 41.3,121 1,123 1,126 2,128 1,143 8,144 2,145 2,157 2,167 3,174 10,176 4,177 4,185 12,188 4,189 15,197 7,200 2,201 22,209 1,213 1,214 16,222 2,226 4,227 13,235 4,239 7,240 7,247 7,251 5,252 7,260 8,263 6,264 5,271 7,274 1335,275 18.996,276 18.996,277 18.996,278 18.996,279 18.996,280 16.702,281 22.29,282 10.724,283 19.328,284 15.732,285 15.732,286 15.732,287 15.732,288 15.732,289 12.121,290 24.553,291 5.047,292 16.275,293 3.706,294 1.794,295 0.946,296 0.511,297 0.451,298 0.451,299 4.085,306 1,307 1,308 626,309 4,310 55.071,312 84.493,313 203.217,320 1.42,321 57.174,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 65.5,333 291,334 4.945,335 4.723,336 7.673,337 4.473,338 3.538,339 4.766,340 2.612,341 13.661,342 3.308,343 4.427,344 3.925,345 6.768,346 4.135,347 3.155,348 4.01,349 1.571,350 11.048,351 3.065,352 4.235,353 3.78,354 6.135,355 3.811,356 2.838,357 3.69,358 1.037,359 8.916,360 2.762,361 3.874,362 3.308,363 5.893,364 3.574,365 2.618,366 3.402,367 0.699,368 8.091,369 2.504,370 3.832,371 2.713,372 5.565,373 3.417,374 2.42,375 3.189,377 6.777,378 2.41,379 3.493,380 2.589,381 5.214,382 3.054,383 2.09,384 2.676,386 6.179,387 2,388 3.119,389 2.438,390 4.993,391 2.773,392 1.807,393 2.315,395 5.52,396 1.732,397 2.972,398 2.054,399 4.369,400 2.477,401 1.481,402 2.084,404 3.941,405 1.467,406 2.741,407 1.812,408 4.113,409 2.277,410 1.286,411 1.703,413 3.323,414 1.269,415 2.59,416 1.338,417 3.74,418 2,419 1,420 1.586,422 2.465,423 1,424 2.5,425 1.236,426 3.603,427 2,428 1,429 1.5,431 2.319,432 1,433 2.227,434 1,435 3.435,436 1.871,437 0.871,438 1.061,440 2.275,441 0.867,442 2.127,443 1,444 3.414,445 1.658,446 0.681,447 0.909,449 1.886,450 0.656,451 1.119,452 0.98,453 2.915,454 0.755,455 -0.225,456 -0.283,458 -0.495,459 -0.217,460 1,461 0.566,462 2.601,463 0.415,464 -0.53,465 -0.584,467 -1.243,468 -0.482,469 13.533,470 0.467,471 0.989,472 0.034,473 39.5,474 1.362,475 21,476 0.724,477 18.5,478 0.638,479 22.367,480 0.771,481 31.467,482 0.684,483 33.849,484 1.167,485 7.707,486 0.266,487 6.062,488 0.209,489 0.16,490 0.062,491 0.355,496 0.408,497 1.143,498 0.717,499 1.189,500 0.558,501 0.914,502 0.619,503 1.111,504 0.764,505 0.946,506 0.513,507 0.923,508 0.697,509 1.232,510 1.134,511 1.261,512 0.695,513 1.101,514 1.203,515 1.158,516 1.129,517 1.062,518 1.299,519 1.026,520 1.157,521 0.981,522 0.937,523 0.848,524 1.092,525 0.86,526 1.091,527 1.084,528 1.36,529 1.291,530 0.987,531 1.03,532 1.37,533 0.819,534 1.138,535 0.905,536 1.51,537 0.897,538 1.034,539 0.967,540 0.977,541 1.064,542 1.123,543 1.088,544 7.5,545 0.128,546 4.5,547 2.403,548 1.954,549 1.514,550 0.962,551 0.688,552 0.405,553 0.253,554 9688,555 34032,556 2.041,557 37,558 3,559 13,563 1,567 1.728,568 1.861,569 3.271,570 -0.649,571 1,572 1,575 83.622,576 1.818,577 3.729,578 4.578,579 5.012,580 5.072,581 5.072,582 2.732,583 4.375,584 4.827,585 3.427,586 1391.5,587 8.454,588 18268.6,590 1,592 1,593 254.084,594 1.694,595 4.757,596 0.234,597 0.008,598 0.1,599 0.049,600 0.042,601 0.033,602 0.02,603 0.016,604 0.011,605 0.009,606 0.522,607 0.33,608 0.88,609 0.805,610 144.489,611 0.193,612 0.034,613 0.203,614 -0.052,615 -0.051,616 0.01,617 0.147,618 -0.033,619 0.09,620 0.055,621 0.176,622 0.012,623 0.068,624 -0.142,625 -0.078,626 -0.158,627 0.07,628 -0.126,629 -0.192,630 -0.158,631 -0.119,632 -0.067,633 -0.191,634 -0.068,635 -0.2,636 0.055,637 0.045,638 0.105,639 -0.156,640 0.09,641 -0.066,642 -0.025,643 -0.144,644 -0.136,645 0.053,646 -0.063,647 -0.085,648 0.128,649 -0.11,650 0.064,651 -0.168,652 0.032,653 0.049,654 -0.012,655 -0.076,656 -0.124,657 -0.018,658 -0.148,659 4.892,660 6.019,661 0.69,662 25.346,663 1.033,664 1.121,665 1.842,666 3.392,667 0.69,668 3.497,669 3.892,670 4.143,671 4.369,672 4.615,673 4.804,674 4.913,675 4.984,676 5.063,677 5.106,678 6.017,679 0.679,680 415.46,681 3.497,682 5.081,683 5.958,684 6.866,685 7.766,686 8.679,687 9.588,688 10.506,689 11.42,690 12.342,691 6.5,694 1,700 1,702 1,709 8,714 4,716 12,731 1,738 46,739 18,740 2,741 32,743 49,744 19,745 12,746 4,747 8,748 2,752 4,753 4,759 1,763 1,764 1,766 1,768 14,769 5,770 1,772 6,775 1,776 1,778 5,781 1,782 2,786 1,789 17,790 8,792 10,793 1,797 3,803 1,804 6,809 1,820 1,822 1,823 2,836 1,854 1,855 4,857 1,859 1,862 29,866 1,869 2,872 1,874 2,875 1,886 13,889 3,890 1,892 2,893 15.583,894 8.6,895 6.139,896 2.625,898 2.421,899 1.329,900 0.981,901 4.89,902 9.788,903 3.807,904 4.443,905 4.924,906 5.387,907 5.878,908 6.171,909 6.44,910 6.61,911 6.963,912 7.288,913 0.857,914 49,915 11.154,917 5.391,918 8.261,919 19.837,921 17,924 2.761,925 80.083,928 1,929 200.109,930 115.71,931 23.729,933 131.205,935 5.807,936 109.902,937 331.313,938 23.729,939 14.495,940 6.698,941 81.617,942 88.348,943 28.738,945 200.109,946 50.747,947 200.109,948 133.631,949 131.205,950 5.807,952 200.109,953 69.458,954 61.747,956 33.582,957 94.379,958 11.477,960 200.109,961 154.934,962 115.71,964 5.807,965 200.109,966 25.267,967 91.701,969 147.868,970 200.109,971 154.934,972 115.71,973 0.605,974 0.342,975 0.166,976 0.092,977 25,978 12,979 0.122,980 6,982 1,983 3.889,984 268.516,986 20,987 132.881,992 1,993 19.558,994 7.25,995 3.887,997 149.264,998 12.101,1003 1.275,1006 470.752,1007 44,1010 -0.54,1011 -3.976,1013 60.931,1016 4.115,1017 -0.369,1020 47.531,1021 51.578,1022 0.329,1023 0.675,1024 0.829,1025 0.907,1026 0.918,1027 0.918,1028 5.088,1029 1.481,1030 6.009,1031 5.52,1032 4.575,1033 5.13,1034 3.009,1035 6.915,1036 4.51,1037 6.354,1038 1.286,1039 7.647,1040 3.941,1041 4.511,1042 5.293,1043 2.361,1044 8.219,1045 4.372,1046 7.723,1047 1,1048 9.4,1049 3.323,1050 6.323,1051 7.429,1052 4.365,1053 11.288,1054 6.168,1055 9.131,1056 1,1057 11.22,1058 2.465,1059 7.022,1060 8.372,1061 4.506,1062 13.406,1063 6.785,1064 10.574,1065 0.871,1066 13.087,1067 2.319,1068 8.417,1069 10.089,1070 6.03,1071 16.115,1072 8.153,1073 12.041,1074 0.681,1075 14.986,1076 2.275,1077 9.424,1078 11.358,1079 6.556,1080 18.534,1081 9.077,1082 13.529,1083 -0.225,1084 16.91,1085 1.886,1086 10.69,1087 12.943,1088 7.825,1089 21.153,1090 10.301,1091 3.538,1092 -0.53,1093 18.853,1094 -0.495,1095 11.825,1096 14.357,1097 8.548,1098 23.684,1099 11.358,1100 3.155,1101 13.661,1102 20.813,1103 -1.243,1104 13.058,1105 15.905,1106 9.681,1107 26.285,1108 12.535,1109 2.838,1110 11.048,1111 22.785,1112 4.766,1113 14.249,1114 17.387,1115 10.509,1116 28.86,1117 13.652,1118 2.618,1119 8.916,1120 24.769,1121 4.01,1122 15.477,1123 18.928,1124 11.568,1125 31.46,1126 14.817,1127 2.42,1128 8.091,1129 26.76,1130 3.69,1131 16.695,1132 20.444,1133 12.452,1134 34.054,1135 15.962,1136 2.09,1137 6.777,1138 28.76,1139 3.402,1140 17.929,1141 21.987,1142 13.469,1143 36.658,1144 17.127,1145 1.807,1146 6.179,1147 30.765,1148 3.189,1149 19.161,1150 23.522,1151 14.386,1152 39.26,1153 18.287,1154 9361,1155 17722,1156 20.69,1157 31.722,1158 50.418,1159 52.401,1160 51.831,1161 49.692,1162 49.571,1163 65.783,1164 11.838,1165 152.801,1166 48.081,1167 5.932,1168 6.723,1169 7.217,1170 5.533,1171 5.538,1172 7.766,1173 4.612,1174 21.737,1175 5.308,1176 16.83,1177 1.576,1178 1.638,1179 1.62,1180 1.553,1181 1.549,1182 2.056,1183 0.37,1184 4.775,1185 1.503,1186 4.128,1187 4.128,1188 4.744,1189 4.087,1190 7.815,1191 4.018,1192 3.986,1193 3.996,1194 3.979,1195 3.9,1196 7.715,1197 3.894,1198 3.848,1199 3.869,1200 3.798,1201 3.673,1202 7.427,1203 3.69,1204 3.715,1205 3.733,1206 3.727,1207 3.58,1208 6.999,1209 3.545,1210 3.538,1211 3.537,1212 3.542,1213 3.331,1214 6.999,1215 3.325,1216 3.371,1217 3.394,1218 3.333,1219 3.007,1220 4.767,1221 3.092,1222 3.037,1223 3.108,1224 2.863,1225 2.858,1226 4.698,1227 2.825,1228 2.942,1229 2.971,1230 2.835,1231 2.735,1232 4.686,1233 2.741,1234 0.155,1235 0.148,1236 0.24,1237 0.14,1238 0.111,1239 4.945,1240 0.149,1241 4.723,1242 0.082,1243 7.673,1244 0.427,1245 4.473,1246 0.103,1247 3.538,1248 4.766,1249 2.612,1250 13.661,1251 3.308,1252 1.972,1253 1.975,1254 2.042,1255 2.09,1256 1.266,1257 2.075,1258 1.942,1259 1.919,1260 2.024,1261 2.033,1262 1.19,1263 2.055,1264 1.551,1265 1.56,1266 1.678,1267 1.773,1268 0.922,1269 1.756,1270 1.548,1271 1.528,1272 1.555,1273 1.733,1274 0.859,1275 1.717,1276 1.262,1277 1.228,1278 1.506,1279 1.586,1280 0.726,1281 1.53,1282 1.144,1283 1.096,1284 1.288,1285 1.41,1286 0.457,1287 1.437,1288 1.056,1289 0.983,1290 1.262,1291 1.293,1292 0.218,1293 1.327,1294 0.886,1295 0.821,1296 1.181,1297 1.162,1298 0.216,1299 1.176,1300 4.174,1301 1.946,1302 5.549,1303 3.932,1304 7.114,1305 5.861,1306 8.758,1307 7.769,1308 10.444,1310 1.842,1315 0.134,1318 5.041,1320 -1.358,1321 0.886,1326 31.228,1327 83.622,1328 171.555,1329 210.574,1330 230.574,1331 233.329,1332 233.329,1333 81.355,1334 7.366,1335 125.16,1336 133.54,1337 20,1338 12.851,1339 4.248,1340 3.7,1341 44.314,1342 103,1343 117,1344 0.212,1345 192.596,1346 346.51,1347 461.694,1348 13438,1350 20.759,1351 0.716,1352 0.559,1353 21.009,1354 16.204,1355 13.769,1356 0.43,1357 0.322,1358 8.82,1359 12.309,1360 8.522,1361 6.992,1362 14.558,1363 10.292,1364 13.402,1365 0.279,1366 0.182,1367 14.72,1368 8.742,1369 10.839,1370 0.175,1371 0.102,1372 12.154,1373 6.333,1374 8.331,1375 0.107,1376 0.056,1377 9.393,1378 4.377,1379 6.592,1380 0.066,1381 0.033,1382 7.703,1383 3.329,1384 0.322,1385 95.845,1386 0.22,1387 26.962,1388 0.615,1389 160,1390 586.209,1391 221.043,1392 571.186,1393 754.17,1394 522,1395 193,1396 518.93,1397 263.134,1398 551.211,1399 807.55,1400 515,1401 4.996}
{0 CHEMBL1496549,1 1.633,2 11.036,3 1.394,4 1.943,5 102.192,6 7.649,7 0.313,8 4.051,9 4.161,10 3.656,11 3.53,12 5.106,13 3.54,14 4.661,15 4.826,16 4.086,17 3.958,18 5.704,19 3.965,20 4.91,21 5.094,22 4.148,23 4.129,24 5.979,25 4.103,26 4.958,27 5.142,28 4.064,29 4.131,30 6.078,31 4.067,32 4.96,33 5.222,34 3.856,35 3.958,36 6.058,37 3.865,38 4.755,39 5.024,40 3.748,41 3.732,42 5.854,43 3.676,44 4.475,45 4.664,46 3.626,47 3.601,48 5.642,49 3.576,50 4.459,51 4.652,52 3.534,53 3.576,54 5.607,55 3.53,56 0.088,57 0.772,58 10.051,59 4.502,60 8.416,61 5.734,62 0.526,63 1.273,64 21.844,65 7.204,66 29.068,67 9.69,68 0.769,69 1.521,70 29.768,71 9.774,72 55.976,73 12.781,74 0.698,75 1.563,76 30.808,77 10.84,78 62.976,79 14.319,80 0.744,81 1.462,82 34.609,83 9.957,84 99.755,85 14.943,86 0.789,87 1.187,88 28.763,89 7.304,90 71.158,91 11.239,92 0.511,93 0.92,94 19.74,95 6.011,96 49.492,97 7.901,98 0.517,99 0.906,100 19.478,101 5.942,102 61.908,103 7.87,104 10,105 48,106 0.274,107 0.615,108 0.784,109 0.811,110 0.818,111 0.818,112 3.375,113 0.897,114 -2.31,115 -2.34,116 -2.3,120 40,122 2,125 1,126 5,132 1,143 4,144 2,153 2,156 1,159 2,167 1,174 5,176 3,177 10,185 6,188 5,189 5,197 4,200 5,201 6,209 1,213 2,214 8,226 4,227 9,239 2,240 4,251 2,252 6,260 2,263 2,264 4,271 2,274 1144,275 19.104,276 19.104,277 19.104,278 19.104,279 19.104,280 17.546,281 22.118,282 10.822,283 19.459,284 15.715,285 15.715,286 15.715,287 15.715,288 15.715,289 13.178,290 24.421,291 5.027,292 16.258,293 4.011,294 1.982,295 0.975,296 0.815,297 0.775,298 0.775,299 4.084,305 1,306 1,307 1,308 701,309 3.317,312 124.173,313 211.67,316 189.412,320 1.684,321 34.893,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 62,333 309,334 4.799,335 3.863,336 7.208,337 4.37,338 3.397,339 4.748,340 1.986,341 12.67,342 3.32,343 4.368,344 3.802,345 7.137,346 4.351,347 3.364,348 3.461,349 1.392,350 12.397,351 3.303,352 4.079,353 3.656,354 6.278,355 3.805,356 2.835,357 3.371,358 1.061,359 9.302,360 2.744,361 3.861,362 3.153,363 6.003,364 3.58,365 2.607,366 3.061,367 0.588,368 8.451,369 2.529,370 3.523,371 2.403,372 5.6,373 3.074,374 2.12,375 2.888,376 0.532,377 6.894,378 2.022,379 3.316,380 2.294,381 5.462,382 2.983,383 2.013,384 2.532,385 0.068,386 6.592,387 1.945,388 2.966,389 2.06,390 4.375,391 2.539,392 1.554,393 2.055,395 3.897,396 1.52,397 2.751,398 2.032,399 4.113,400 2.409,401 1.446,402 1.78,404 3.438,405 1.383,406 2.681,407 1.809,408 3.802,409 2.216,410 1.251,411 1.652,413 2.913,414 1.194,415 2.372,416 1.478,417 3.787,418 2.198,419 1.204,420 1.351,422 2.83,423 1.189,424 2.303,425 1.343,426 3.676,427 1.984,428 1,429 1.203,431 2.372,432 0.983,433 2,434 1.303,435 3.618,436 1.874,437 0.886,438 1,440 2.187,441 0.871,442 1.839,443 1.077,444 3.588,445 1.477,446 0.618,447 0.618,449 1.464,450 0.525,451 1.618,452 0.882,453 3.035,454 1.245,455 0.255,456 0.352,458 0.628,459 0.249,460 1.01,461 0.529,462 2.845,463 0.914,464 -0.091,465 -0.099,467 -0.225,468 -0.091,469 12.933,470 0.462,471 0.765,472 0.027,473 32.25,474 1.152,475 12.5,476 0.446,477 19.75,478 0.705,479 25.334,480 0.905,481 30.867,482 0.617,483 25.397,484 0.907,485 6.453,486 0.23,487 7.126,488 0.255,489 0.09,490 0.039,491 0.325,496 0.721,497 1.494,498 0.708,499 1.241,500 0.535,501 1.015,502 0.999,503 1.114,504 0.835,505 0.898,506 0.617,507 0.826,508 1.23,509 0.894,510 1.04,511 0.876,512 0.969,513 0.912,514 1.101,515 1.228,516 1.189,517 1.263,518 1.294,519 1.265,520 0.884,521 1.064,522 0.942,523 0.966,524 1.157,525 0.96,526 0.892,527 0.743,528 0.853,529 0.684,530 1.065,531 0.717,532 1.438,533 1.017,534 1.141,535 0.983,536 1.921,537 0.997,538 1.427,539 1.051,540 1.249,541 1.035,542 2.024,543 1.097,544 5.5,545 0.135,546 4,547 2.868,548 1.805,549 1.146,550 0.527,551 0.456,552 0.361,553 0.195,554 10707,555 27243,556 2.168,557 44,559 17,561 1,566 4,567 1.707,568 2.036,569 3.428,570 -0.707,571 1,572 1,575 81.647,576 1.633,577 3.662,578 4.669,579 4.829,580 4.869,581 4.869,582 2.893,583 4.522,584 4.781,585 3.604,586 1362.2,587 8.295,588 17634.6,590 1,593 282.193,594 1.526,595 4.738,596 0.172,597 0.006,598 0.083,599 0.057,600 0.042,601 0.034,602 0.017,603 0.016,604 0.014,605 0.008,606 0.45,607 0.5,608 0.88,609 0.517,610 140.129,611 0.004,612 -0.261,613 0.091,614 -0.147,615 -0.016,616 -0.037,617 0.015,618 0.02,619 0.084,620 0.088,621 0.013,622 0.105,623 -0.11,624 0.157,625 -0.079,626 0.106,627 -0.05,628 0.03,629 -0.062,630 -0.209,631 -0.243,632 -0.258,633 -0.074,634 -0.299,635 0.024,636 -0.137,637 0.079,638 -0.031,639 0.09,640 0.026,641 0.111,642 0.216,643 0.198,644 0.196,645 0.092,646 0.23,647 -0.172,648 -0.016,649 -0.142,650 -0.026,651 -0.251,652 -0.07,653 -0.196,654 -0.05,655 -0.255,656 -0.08,657 -0.272,658 -0.168,659 1.916,660 6.01,661 0.821,662 24.622,663 1.013,664 1.131,665 1.075,666 1.156,667 0.654,668 3.497,669 3.892,670 4.248,671 4.554,672 4.787,673 4.905,674 5.043,675 5.176,676 5.215,677 5.226,678 6.568,679 0.634,680 382.46,681 3.497,682 5.081,683 5.979,684 6.899,685 7.811,686 8.734,687 9.652,688 10.577,689 11.497,690 12.424,691 8,698 2,699 1,700 1,708 2,709 4,714 2,715 1,716 10,738 50,739 13,740 1,741 32,743 54,744 20,745 8,746 2,747 4,748 2,752 5,753 8,755 1,763 3,766 3,768 11,769 9,772 3,778 2,780 1,781 1,782 2,785 1,786 1,789 22,790 7,792 8,797 4,803 0.4,804 4,818 1,822 2,823 3,826 2,839 1,854 2,855 2,859 1,862 28,869 7,872 2,875 2,876 1,886 8,889 2,890 2,893 13.75,894 9.383,895 5.972,896 3.098,898 2.591,899 1.32,900 0.999,901 4.269,902 10.676,903 3.714,904 4.307,905 4.93,906 5.542,907 6.072,908 6.451,909 6.858,910 7.256,911 7.395,912 7.563,913 1,914 50,915 10.476,917 4.704,918 7.777,919 20.024,921 17.29,924 2.277,925 63.75,929 258.964,930 95.988,931 24.688,933 72.29,936 95.988,937 331.254,938 24.688,939 8.396,940 26.697,941 37.905,942 102.517,943 24.321,944 4.901,945 247.193,947 258.964,948 120.677,949 72.29,952 258.964,953 50.29,954 22,956 45.259,957 66.37,958 9.047,960 258.964,961 96.978,962 95.988,965 258.964,966 40.64,967 63.374,969 88.953,970 258.964,971 96.978,972 95.988,973 0.599,974 0.372,975 0.205,976 0.107,977 27,978 11,979 0.037,980 2,981 2,982 1.217,983 3.977,984 260.899,985 0.174,986 24,987 124.606,993 17.861,994 6.693,995 2.892,996 1.958,997 95.079,998 7.835,1003 1.372,1004 1.87,1006 451.931,1007 40,1013 25.764,1015 1.678,1016 4.27,1017 -0.36,1020 50.669,1021 56.568,1022 0.289,1023 0.649,1024 0.827,1025 0.856,1026 0.863,1027 0.863,1028 5.014,1029 1.446,1030 6.014,1031 3.897,1032 4.575,1033 4.994,1034 2.702,1035 6.934,1036 4.514,1037 6.234,1038 1.251,1039 7.647,1040 3.438,1041 4.369,1042 4.956,1043 1.668,1044 8.228,1045 4.309,1046 7.578,1047 1.204,1048 9.39,1049 2.913,1050 6.315,1051 7.213,1052 3.466,1053 11.309,1054 6.205,1055 8.961,1056 1,1057 11.199,1058 2.83,1059 6.957,1060 8.055,1061 3.205,1062 13.409,1063 6.846,1064 10.382,1065 0.886,1066 13.05,1067 2.372,1068 8.401,1069 9.834,1070 4.505,1071 16.078,1072 8.253,1073 11.827,1074 0.618,1075 14.928,1076 2.187,1077 9.386,1078 11.074,1079 4.676,1080 18.455,1081 9.229,1082 13.292,1083 0.255,1084 16.826,1085 1.464,1086 10.665,1087 12.696,1088 5.695,1089 21.018,1090 10.481,1091 3.397,1092 -0.091,1093 18.737,1094 0.628,1095 11.784,1096 14.117,1097 6.105,1098 23.491,1099 11.587,1100 3.364,1101 12.67,1102 20.659,1103 -0.225,1104 13.011,1105 15.688,1106 6.97,1107 26.026,1108 12.791,1109 2.835,1110 12.397,1111 22.589,1112 4.748,1113 14.185,1114 17.188,1115 7.509,1116 28.534,1117 13.947,1118 2.607,1119 9.302,1120 24.526,1121 3.461,1122 15.398,1123 18.746,1124 8.29,1125 31.063,1126 15.139,1127 2.12,1128 8.451,1129 26.468,1130 3.371,1131 16.594,1132 20.278,1133 8.899,1134 33.583,1135 16.316,1136 2.013,1137 6.894,1138 28.415,1139 3.061,1140 17.805,1141 21.834,1142 9.636,1143 36.112,1144 17.507,1145 1.554,1146 6.592,1147 30.366,1148 2.888,1149 19.01,1150 23.38,1151 10.281,1152 38.638,1153 18.693,1154 9745,1155 15682,1156 21.671,1157 32.693,1158 49.95,1159 51.915,1160 51.367,1161 48.999,1162 49.101,1163 60.146,1164 11.25,1165 152.073,1166 47.554,1167 5.799,1168 5.863,1169 6.887,1170 5.431,1171 5.397,1172 7.748,1173 3.464,1174 20.353,1175 5.32,1176 11.28,1177 1.561,1178 1.622,1179 1.605,1180 1.531,1181 1.534,1182 1.88,1183 0.352,1184 4.752,1185 1.486,1186 4.17,1187 4.202,1188 4.144,1189 4.075,1190 7.432,1191 4.087,1192 3.92,1193 3.958,1194 3.832,1195 3.726,1196 7.423,1197 3.744,1198 3.688,1199 3.729,1200 3.629,1201 3.496,1202 4.946,1203 3.519,1204 3.54,1205 3.582,1206 3.453,1207 3.322,1208 4.841,1209 3.346,1210 3.373,1211 3.452,1212 3.236,1213 3.164,1214 4.58,1215 3.169,1216 3.233,1217 3.295,1218 3.102,1219 3.037,1220 4.2,1221 3.042,1222 3.111,1223 3.206,1224 2.943,1225 2.941,1226 4.108,1227 2.91,1228 2.995,1229 3.016,1230 2.866,1231 2.774,1232 3.89,1233 2.811,1234 0.15,1235 0.121,1236 0.225,1237 0.137,1238 0.106,1239 4.799,1240 0.148,1241 3.863,1242 0.062,1243 7.208,1244 0.396,1245 4.37,1246 0.104,1247 3.397,1248 4.748,1249 1.986,1250 12.67,1251 3.32,1252 1.94,1253 1.917,1254 2.033,1255 2.028,1256 1.348,1257 2.028,1258 1.813,1259 1.765,1260 1.992,1261 2.023,1262 1.165,1263 2.013,1264 1.733,1265 1.692,1266 1.83,1267 1.94,1268 0.974,1269 1.911,1270 1.399,1271 1.344,1272 1.691,1273 1.658,1274 0.958,1275 1.669,1276 1.393,1277 1.34,1278 1.621,1279 1.644,1280 0.825,1281 1.637,1282 1.23,1283 1.164,1284 1.513,1285 1.466,1286 0.796,1287 1.46,1288 1.153,1289 1.064,1290 1.46,1291 1.376,1292 0.55,1293 1.429,1294 0.949,1295 0.905,1296 1.195,1297 1.239,1298 0.439,1299 1.225,1300 4.174,1302 5.549,1303 3.045,1304 7.128,1305 5.476,1306 8.797,1307 7.653,1308 10.513,1310 1.865,1315 3.585,1318 11.413,1321 3.02,1322 -0.52,1326 31.686,1327 81.647,1328 183.096,1329 233.438,1330 241.438,1331 243.438,1332 243.438,1333 50.832,1334 8.085,1335 78.59,1336 78.59,1337 28,1338 12.929,1339 3.807,1340 3.17,1341 37.854,1342 111,1343 102,1344 0.167,1345 188.321,1346 331.64,1347 451.262,1348 38251,1350 19.303,1351 0.689,1352 0.563,1353 19.303,1354 15.758,1355 13.579,1356 0.424,1357 0.299,1358 9.376,1359 12.84,1360 9.207,1361 7.472,1362 13.579,1363 9.569,1364 12.667,1365 0.264,1366 0.155,1367 12.667,1368 7.434,1369 11.658,1370 0.169,1371 0.085,1372 11.658,1373 5.886,1374 10.041,1375 0.107,1376 0.046,1377 10.041,1378 4.337,1379 7.993,1380 0.067,1381 0.025,1382 7.993,1383 2.959,1384 0.262,1385 86.561,1386 0.215,1387 26.686,1388 0.455,1389 160,1390 491.523,1391 182.029,1392 455.93,1393 628.14,1394 430,1395 197,1396 468.982,1397 220.726,1398 463.111,1399 694.78,1400 438,1401 4.405}
{0 CHEMBL1496726,1 1.6,2 7.067,3 0.201,4 0.041,5 56.705,6 6.848,8 3.506,9 3.636,10 2.964,11 2.89,12 4.634,13 2.881,14 4.063,15 4.287,16 3.277,17 3.234,18 5.255,19 3.201,20 4.269,21 4.483,22 3.282,23 3.422,24 5.359,25 3.34,26 4.432,27 4.685,28 3.088,29 3.339,30 5.536,31 3.214,32 4.217,33 4.506,34 2.989,35 3.034,36 5.575,37 2.932,38 3.703,39 3.894,40 2.768,41 2.897,42 4.809,43 2.817,44 3.968,45 4.207,46 2.539,47 2.793,48 5.138,49 2.677,50 3.712,51 4.029,52 2.061,53 2.334,54 4.782,55 2.177,56 0.058,57 0.421,58 7.133,59 2.53,60 9.816,61 3.744,62 0.343,63 0.621,64 13.623,65 3.604,66 37.218,67 5.859,68 0.255,69 0.717,70 16.469,71 5.24,72 29.927,73 7.805,74 0.437,75 0.655,76 20.503,77 5.471,78 78.832,79 8.527,80 0.706,81 0.491,82 17.32,83 3.785,84 103.489,85 6.294,86 0.102,87 0.399,88 9.1,89 3.186,90 18.673,91 4.6,92 0.338,93 0.368,94 13.096,95 3.137,96 63.032,97 4.872,98 0.4,99 0.235,100 10.645,101 1.984,102 47.605,103 3.452,104 30,105 20,106 0.315,107 0.572,108 0.736,109 0.787,110 0.787,111 0.787,112 2.792,113 0.979,114 -1.29,115 -1.38,116 -1.44,120 32.3,121 1,125 1,126 4,136 1,137 1,159 2,168 1,172 1,174 2,175 1,176 1,177 3,180 1,182 1,185 1,186 2,188 1,189 4,194 2,201 2,202 2,213 3,214 1,217 2,227 1,240 1,241 1,251 1,255 1,274 226,275 9.414,276 9.414,277 9.414,278 9.414,279 9.414,280 8.88,281 14.004,282 5.521,283 9.624,284 7.335,285 7.335,286 7.335,287 7.335,288 7.335,289 6.461,290 16.313,291 2.598,292 7.634,293 3.354,294 2.042,295 1.21,296 0.952,297 0.952,298 0.952,299 3.403,306 1,307 1,308 204,309 3.317,313 53.676,320 1.147,321 21.741,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 34,333 106,334 4.161,335 3.668,336 6.077,337 3.839,338 2.866,339 3.518,340 1.437,341 8.738,342 2.793,343 3.806,344 3.536,345 5.692,346 3.553,347 2.577,348 2.955,349 1.2,350 7.318,351 2.493,352 3.336,353 2.755,354 5.016,355 3.181,356 2.242,357 2.356,358 0.8,359 5.982,360 2.096,361 2.78,362 2.142,363 4.164,364 2.397,365 1.414,366 1.713,367 0.293,368 3.663,369 1.371,370 2.386,371 1.984,372 3.414,373 1.967,374 1,375 1.183,377 2.275,378 0.965,379 2,380 1.146,381 3.315,382 1.922,383 0.9,384 1,386 2.005,387 0.902,388 0.886,389 0.456,390 2.327,391 0.751,392 -0.211,393 -0.214,395 -0.46,396 -0.202,397 0.83,398 0.295,399 2,400 0.493,401 -0.57,402 -0.755,404 -1.31,405 -0.595,406 0.433,407 -0.011,408 1.773,410 -1,411 -1,413 -2,414 -0.9,416 -0.6,417 1.473,418 -0.1,419 -1,420 -1.269,422 -2.969,423 -0.961,425 -0.7,426 1.312,427 -0.275,428 -1.23,429 -1.324,430 -0.4,431 -3,432 -1.162,433 -0.314,434 -1.063,435 1,436 -0.427,437 -1.414,438 -1.703,439 -0.4,440 -3.637,441 -1.441,442 -0.495,443 -1.344,444 1,445 -0.673,446 -1.655,447 -1.934,448 -0.4,449 -5.067,450 -1.622,451 -0.807,452 -1.746,453 0.849,454 -0.961,455 -1.919,456 -2,457 -1.093,458 -5.275,459 -1.865,460 -1,461 -1.779,462 0.586,463 -1.067,464 -2,465 -2.527,466 -1.437,467 -6.263,468 -1.871,469 6.8,470 0.453,471 0.497,472 0.033,473 14.25,474 0.95,475 4.5,476 0.3,477 9.75,478 0.65,479 11.581,480 0.772,481 18.4,482 0.594,483 10.391,484 0.693,485 3.176,486 0.212,487 3.827,488 0.255,489 0.294,491 0.338,496 0.773,497 1.897,498 0.876,499 1.49,500 0.651,501 1.241,502 0.677,503 1.032,504 0.848,505 0.857,506 0.382,507 0.847,508 0.827,509 1.187,510 1.089,511 1.31,512 0.708,513 1.251,514 1.144,515 1.129,516 1.067,517 1.133,518 1.257,519 1.106,520 0.805,521 0.436,522 0.779,523 0.459,524 0.93,525 0.591,526 0.798,527 1.434,528 1.052,529 1.55,530 0.816,531 1.385,532 1.55,533 1.104,534 1.277,535 1.134,536 1.69,537 1.165,538 1.279,539 0.293,540 0.963,541 0.347,542 1.351,543 0.561,544 4,546 2.222,547 0.75,548 0.702,549 0.486,550 0.203,551 0.149,552 0.09,554 1421,555 4638,556 1.817,557 51.6,558 3,559 12,562 1,567 1.528,568 1.636,569 2.867,570 -0.134,572 1,575 49.606,576 1.6,577 2.912,578 3.744,579 4.002,580 4.002,581 4.002,582 2.289,583 3.323,584 3.879,585 2.954,586 310.129,587 6.49,588 2582.88,590 1,593 153.58,594 1.585,595 3.781,596 0.267,598 0.111,599 0.039,600 0.05,601 0.037,602 0.018,603 0.021,604 0.023,606 0.567,607 0.67,608 1,609 1.831,610 59.282,611 -0.072,612 -0.479,613 0.015,614 -0.195,615 -0.057,616 -0.092,617 0.099,618 0.177,619 0.097,620 0.154,621 0.207,622 0.145,623 -0.082,624 -0.016,625 -0.177,626 -0.212,627 -0.007,628 -0.208,629 -0.138,630 -0.251,631 -0.102,632 -0.166,633 -0.153,634 -0.137,635 0.303,636 0.365,637 0.24,638 0.346,639 0.231,640 0.286,641 -0.048,642 -0.272,643 -0.155,644 -0.37,645 -0.043,646 -0.293,647 -0.273,648 -0.283,649 -0.262,650 -0.221,651 -0.304,652 -0.246,653 -0.032,654 0.353,655 0.088,656 0.346,657 -0.152,658 0.249,659 2.711,660 4.587,661 0.4,662 8.613,663 1.012,664 1.146,665 0.059,666 0.004,667 0.603,668 2.773,669 3.045,670 3.135,671 3.135,672 3.296,673 3.135,674 2.833,675 2.708,676 2.565,677 1.609,678 4.334,679 0.577,680 212.28,681 2.773,682 4.263,683 5.043,684 5.866,685 6.673,686 7.496,687 8.311,688 9.134,689 9.952,690 10.777,691 6.5,694 1,698 1,738 31,739 3,741 15,743 31,744 10,748 4,752 1,753 1,759 1,768 4,769 6,772 3,778 2,780 1,782 3,786 1,789 16,790 5,791 1,792 5,797 2,803 1,804 3,823 1,839 1,840 1,845 1,846 1,851 1,853 1,855 1,859 2,862 15,868 1,869 4,875 2,886 9.7,888 1,889 2,893 9.167,894 6.017,895 3.389,896 1.763,898 0.563,899 1.107,900 0.86,901 4.149,902 5.805,903 2.944,904 3.332,905 3.584,906 3.664,907 3.892,908 3.714,909 3.555,910 3.497,911 3.497,912 2.565,913 0.8,914 19,915 5.556,916 -0.001,917 2.245,918 8.233,919 10.289,921 7.835,922 -0.001,924 2.733,925 41,926 0.002,929 176.567,930 43.921,931 6.249,933 92.973,936 43.921,937 269.54,938 6.249,939 17.222,940 11.547,941 9.476,942 98.588,943 6.31,945 176.567,947 176.567,948 50.169,949 92.973,952 176.567,953 92.973,956 23.497,957 17.196,958 9.476,960 176.567,961 99.222,962 43.921,965 176.567,966 17.223,967 32.946,969 92.973,970 176.567,971 99.222,972 43.921,973 0.585,974 0.319,975 0.127,976 0.074,977 8,978 5,979 0.065,980 2,982 1,983 2.63,984 86.451,986 6,987 54.603,993 12.046,994 5.167,995 3.552,997 99.222,1005 42.683,1006 319.709,1007 18,1013 22.11,1015 1.188,1017 -1.167,1020 31.371,1021 35.531,1022 0.323,1023 0.588,1024 0.756,1025 0.808,1026 0.808,1027 0.808,1028 4.174,1029 -0.57,1030 5.043,1031 -0.46,1032 3.714,1033 4.007,1034 2.194,1035 5.765,1036 3.643,1037 5.338,1038 -1,1039 6.578,1040 -1.31,1041 3.434,1042 3.892,1043 0.57,1044 6.564,1045 3.332,1046 6.613,1047 -1,1048 8.208,1049 -2,1050 5.242,1051 5.883,1052 2.604,1053 9.512,1054 5.099,1055 7.914,1056 -1.23,1057 9.888,1058 -2.969,1059 5.673,1060 6.509,1061 0.801,1062 11.037,1063 5.511,1064 9.241,1065 -1.414,1066 11.597,1067 -3,1068 7.033,1069 8.063,1070 3.159,1071 13.528,1072 6.829,1073 10.586,1074 -1.655,1075 13.324,1076 -3.637,1077 7.769,1078 9.006,1079 1.074,1080 15.365,1081 7.553,1082 11.945,1083 -1.919,1084 15.065,1085 -5.067,1086 8.946,1087 10.39,1088 3.78,1089 17.673,1090 8.691,1091 2.866,1092 -2,1093 16.815,1094 -5.275,1095 9.827,1096 11.482,1097 1.404,1098 19.664,1099 9.56,1100 2.577,1101 8.738,1102 18.573,1103 -6.263,1104 10.924,1105 12.792,1106 4.438,1107 21.891,1108 10.621,1109 2.242,1110 7.318,1111 20.337,1112 3.518,1113 11.878,1114 13.959,1115 1.768,1116 23.963,1117 11.561,1118 1.414,1119 5.982,1120 22.105,1121 2.955,1122 12.94,1123 15.237,1124 5.121,1125 26.154,1126 12.591,1127 1,1128 3.663,1129 23.877,1130 2.356,1131 13.933,1132 16.444,1133 2.15,1134 28.268,1135 13.567,1136 0.9,1137 2.275,1138 25.652,1139 1.713,1140 14.98,1141 17.708,1142 5.819,1143 30.442,1144 14.585,1145 -0.211,1146 2.005,1147 27.429,1148 1.183,1149 15.994,1150 18.935,1151 2.538,1152 32.579,1153 15.579,1154 1588,1155 2941,1156 8.959,1157 18.705,1158 22.537,1159 23.47,1160 23.358,1161 22.039,1162 21.999,1163 25.451,1164 7.459,1165 59.962,1166 21.239,1167 5.161,1168 5.448,1169 5.492,1170 4.907,1171 4.866,1172 6.045,1173 2.873,1174 15.001,1175 4.664,1176 9.781,1177 1.502,1178 1.565,1179 1.557,1180 1.469,1181 1.467,1182 1.697,1183 0.497,1184 3.997,1185 1.416,1186 3.883,1187 3.944,1188 3.801,1189 3.697,1190 7.475,1191 3.714,1192 3.688,1193 3.722,1194 3.597,1195 3.523,1196 7.427,1197 3.531,1198 3.296,1199 3.361,1200 3.21,1201 3.006,1202 6.351,1203 3.038,1204 3.111,1205 3.206,1206 2.866,1207 2.941,1208 4.381,1209 2.91,1210 3.032,1211 3.058,1212 2.86,1213 2.73,1214 4.198,1215 2.745,1216 2.948,1217 3.032,1218 2.699,1219 2.632,1220 3.804,1221 2.653,1222 2.524,1223 2.655,1224 2.21,1225 2.226,1226 3.474,1227 2.207,1228 2.238,1229 2.29,1230 2.014,1231 1.841,1232 3.343,1233 1.881,1234 0.277,1235 0.245,1236 0.405,1237 0.256,1238 0.191,1239 4.161,1240 0.235,1241 3.668,1242 0.096,1243 6.077,1244 0.583,1245 3.839,1246 0.186,1247 2.866,1248 3.518,1249 1.437,1250 8.738,1251 2.793,1252 1.801,1253 1.747,1254 1.991,1255 2.025,1256 1.284,1257 2.019,1258 1.645,1259 1.602,1260 1.829,1261 1.826,1262 0.912,1263 1.822,1264 1.21,1265 1.127,1266 1.552,1267 1.515,1268 0.825,1269 1.522,1270 1.153,1271 1.064,1272 1.513,1273 1.376,1274 0.649,1275 1.429,1276 0.947,1277 0.876,1278 1.295,1279 1.271,1280 0.337,1281 1.264,1282 0.843,1283 0.814,1284 1.063,1285 1.236,1286 0.191,1287 1.2,1288 0.525,1289 0.4,1290 0.936,1291 0.873,1293 0.916,1294 0.172,1295 0.038,1296 0.785,1297 0.563,1299 0.65,1300 3.434,1302 4.71,1304 6.163,1306 7.688,1308 9.249,1310 3.427,1314 8.624,1315 3.009,1321 3.81,1326 17.875,1327 49.606,1328 90.277,1329 116.07,1330 124.07,1331 124.07,1332 124.07,1333 35.598,1334 5.242,1335 60.85,1336 60.85,1337 6,1338 11.355,1339 2,1340 2,1341 31.219,1342 38,1343 35,1344 0.419,1345 116.096,1346 209.65,1347 275.033,1348 843,1350 11.422,1351 0.761,1352 0.604,1353 11.422,1354 9.064,1355 7.003,1356 0.467,1357 0.326,1358 4.787,1359 6.58,1360 4.6,1361 3.849,1362 7.003,1363 4.895,1364 6.454,1365 0.323,1366 0.188,1367 6.454,1368 3.761,1369 4.747,1370 0.216,1371 0.113,1372 4.747,1373 2.492,1374 2.906,1375 0.132,1376 0.062,1377 2.906,1378 1.365,1379 2.262,1380 0.087,1381 0.037,1382 2.262,1383 0.965,1384 0.638,1385 45.021,1386 0.334,1387 15.316,1388 1.184,1389 70,1390 260.911,1391 80.806,1392 242.915,1393 305.23,1394 222,1395 77,1396 199.88,1397 87.2,1398 201.466,1399 286.51,1400 185,1401 4.435}
{0 CHEMBL1497010,1 1.96,2 8.632,3 1.232,4 1.517,5 73.038,6 9.597,7 0.3,8 3.513,9 3.619,10 3.267,11 2.995,12 4.828,13 3.026,14 3.956,15 4.083,16 3.635,17 3.295,18 5.338,19 3.324,20 4.118,21 4.254,22 3.667,23 3.39,24 5.566,25 3.384,26 4.061,27 4.232,28 3.617,29 3.202,30 5.717,31 3.192,32 3.908,33 4.119,34 3.149,35 3.034,36 5.134,37 3.005,38 3.752,39 3.939,40 3.184,41 3.006,42 5.051,43 2.991,44 3.812,45 3.996,46 3.149,47 2.965,48 5.164,49 2.957,50 3.62,51 3.762,52 3.151,53 2.835,54 5.164,55 2.796,56 0.162,57 0.464,58 3.499,59 2.18,60 10.528,61 2.102,62 0.363,63 0.676,64 8.131,65 3.371,66 27.305,67 3.567,68 0.461,69 0.759,70 11.501,71 4.621,72 49.112,73 4.277,74 0.56,75 0.662,76 11.897,77 4.155,78 68.004,79 4.497,80 0.446,81 0.549,82 11.138,83 3.372,84 49.812,85 3.848,86 0.244,87 0.508,88 7.82,89 3.047,90 19.495,91 3.684,92 0.374,93 0.491,94 10.29,95 3.336,96 46.479,97 3.243,98 0.435,99 0.394,100 7.148,101 2.945,102 38.359,103 3.019,104 18,105 27,106 0.376,107 0.724,108 0.795,109 0.848,110 0.848,111 0.848,112 3.009,113 0.848,114 -1.59,115 -1.67,116 -1.7,120 37.9,125 1,143 4,145 2,157 1,159 2,160 1,170 1,174 2,177 2,180 2,181 1,182 2,185 3,188 2,189 3,192 2,194 1,197 1,200 1,201 2,204 5,205 2,206 1,213 1,214 1,227 4,232 4,240 2,245 2,251 2,252 2,255 2,257 2,274 403,275 12.593,276 12.593,277 12.593,278 12.593,279 12.593,280 11.247,281 15.922,282 7.417,283 12.997,284 9.788,285 9.788,286 9.788,287 9.788,288 9.788,289 7.571,290 15.368,291 3.435,292 10.318,293 2.898,294 1.087,295 0.716,296 0.44,297 0.44,298 0.44,299 3.664,306 1,307 1,308 337,309 2.449,313 129.344,320 1.163,321 24.818,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43,333 164,334 4.343,335 3.955,336 6.418,337 3.995,338 3.014,339 3.751,340 1.784,341 9.77,342 2.954,343 4.061,344 3.551,345 5.585,346 3.644,347 2.681,348 3.643,349 1.037,350 7.683,351 2.58,352 3.535,353 3.273,354 5.027,355 3.06,356 2.162,357 2.723,358 0.938,359 5.999,360 1.956,361 3.35,362 2.915,363 4.945,364 2.943,365 2.032,366 2.585,367 0.86,368 5.758,369 1.906,370 3.303,371 2.433,372 4.879,373 2.905,374 1.879,375 2.414,377 5.225,378 1.808,379 2.714,380 1.985,381 3.588,382 2.242,383 1.26,384 1.786,386 2.729,387 1.233,388 2.563,389 1.328,390 3.465,391 1.94,392 0.953,393 1.37,395 2.29,396 0.929,397 1.584,398 1.025,399 2.828,400 1.295,401 0.43,402 0.482,404 0.627,405 0.368,406 1.421,407 0.936,408 2.667,409 1.081,410 0.091,411 0.115,413 0.231,414 0.088,415 1,416 0.679,417 2.653,418 0.658,419 -0.347,420 -0.414,422 -0.898,423 -0.343,424 1,425 0.475,426 2.171,427 0.318,428 -0.617,429 -0.8,431 -1.377,432 -0.535,433 0.701,434 -0.284,435 1.667,436 0.237,437 -0.713,438 -1.019,440 -1.515,441 -0.672,442 0.581,443 -0.407,444 1.547,445 0.139,446 -0.826,447 -1.174,449 -2.119,450 -0.798,451 0.178,452 -0.78,453 1.468,454 -0.351,455 -1.316,456 -1.806,458 -3.564,459 -1.283,460 -0.303,461 -0.978,462 1.423,463 -0.494,464 -1.532,465 -2,467 -4.037,468 -1.383,469 8.933,470 0.47,471 0.489,472 0.026,473 25,474 1.316,475 12.5,476 0.658,477 12.5,478 0.658,479 11.371,480 0.598,481 20.467,482 0.706,483 18.244,484 0.96,485 5.474,486 0.288,487 3.622,488 0.191,489 0.224,491 0.336,496 0.837,497 1.144,498 0.571,499 0.798,500 0.601,501 0.778,502 0.879,503 1.233,504 0.627,505 0.912,506 0.639,507 0.86,508 1.084,509 1.14,510 1.077,511 1.098,512 1.083,513 1.069,514 0.595,515 0.913,516 0.753,517 0.993,518 0.62,519 1.027,520 1.15,521 0.831,522 0.798,523 0.646,524 1.093,525 0.848,526 0.753,527 1.16,528 0.621,529 0.952,530 0.66,531 0.992,532 1.397,533 0.861,534 0.998,535 0.823,536 1.517,537 0.862,538 0.77,539 0.793,540 0.836,541 0.835,542 1.048,543 0.974,544 4.5,545 0.041,546 2,547 1.5,548 0.947,549 0.521,550 0.204,551 0.281,552 0.184,553 0.076,554 3116,555 12583,556 1.965,557 34.5,559 7,562 3,567 1.601,568 1.81,569 3.078,570 1.303,572 1,574 1,575 56.854,576 1.96,577 3.771,578 4.142,579 4.418,580 4.418,581 4.418,582 2.445,583 3.827,584 4.223,585 3.202,586 547.598,587 7.18,588 5470.95,589 1,590 1,593 140.881,594 1.509,595 4.159,596 0.225,597 0.014,598 0.074,599 0.056,600 0.043,601 0.033,602 0.012,603 0.018,604 0.013,605 0.009,606 0.496,607 0.67,608 1,609 0.92,610 82.982,611 -0.13,612 -0.025,613 -0.008,614 -0.007,615 -0.094,616 0.023,617 0.012,618 -0.205,619 0.094,620 -0.071,621 0.025,622 0.001,623 -0.106,624 -0.11,625 -0.182,626 -0.153,627 -0.11,628 -0.188,629 0.43,630 0.062,631 0.178,632 -0.099,633 0.437,634 -0.103,635 -0.182,636 0.047,637 0.033,638 0.161,639 -0.158,640 0.145,641 -0.014,642 -0.234,643 0.138,644 -0.128,645 0.089,646 0.003,647 -0.328,648 0.046,649 -0.076,650 0.074,651 -0.279,652 0.106,653 0.433,654 0.103,655 0.119,656 0.128,657 0.148,658 -0.014,659 2.316,660 4.505,661 0.632,662 12.011,663 1.038,664 1.131,665 0.365,666 0.133,667 0.701,668 3.045,669 3.332,670 3.526,671 3.714,672 3.807,673 3.761,674 3.584,675 3.664,676 3.689,677 3.714,678 5.121,679 0.69,680 278.32,681 3.045,682 4.554,683 5.371,684 6.225,685 7.054,686 7.911,687 8.744,688 9.603,689 10.437,690 11.297,691 13.8,696 1,698 2,700 1,709 4,714 2,716 6,735 1,738 29,739 10,740 1,741 20,743 30,744 11,745 6,746 2,747 4,748 3,752 2,753 2,755 1,757 1,768 10,769 1,772 4,778 2,779 1,781 1,782 4,786 1,789 10,790 7,791 3,792 8,793 1,797 4,800 2,803 1,804 3,823 2,855 2,857 1,859 1,862 19,871 3,872 1,886 10.3,889 2,891 1,893 10.5,894 5.45,895 4.306,896 1.426,898 1.898,899 1.309,900 0.95,901 4.213,902 8.034,903 3.332,904 3.839,905 4.28,906 4.72,907 5.023,908 5.164,909 5.259,910 5.599,911 5.86,912 6.139,913 0.833,914 27,915 6.952,917 2.906,918 8.219,919 12.471,921 9.435,924 2.719,925 51.667,929 82.398,930 114.431,931 70.573,933 61.29,935 45.192,936 69.239,937 143.687,938 70.573,939 10.883,940 36.022,941 37.905,942 80.344,943 35.663,944 0.285,945 82.398,946 45.192,947 82.398,948 139.812,949 61.29,950 45.192,952 82.398,953 61.29,956 52.685,957 69.239,958 17.888,959 45.192,960 82.398,961 131.862,962 114.431,965 82.398,966 20.451,967 48.788,968 53.91,969 123.145,970 82.398,971 131.862,972 114.431,973 0.575,974 0.333,975 0.174,976 0.084,977 12,978 6,979 0.1,980 3,982 1,983 3.111,984 130.036,986 12,987 74.711,990 1,993 13.61,994 5.882,995 3.347,997 131.862,998 6.9,1003 1.213,1005 53.91,1006 328.691,1007 27,1013 23.009,1014 4.667,1016 3.753,1017 -1.625,1020 30.116,1021 32.787,1022 0.404,1023 0.776,1024 0.853,1025 0.909,1026 0.909,1027 0.909,1028 4.549,1029 0.43,1030 5.352,1031 2.29,1032 4.007,1033 4.522,1034 2.465,1035 6.111,1036 3.92,1037 5.744,1038 0.091,1039 6.887,1040 0.627,1041 3.611,1042 4.331,1043 1.305,1044 6.917,1045 3.495,1046 7.04,1047 -0.347,1048 8.516,1049 0.231,1050 5.557,1051 6.589,1052 3.009,1053 9.957,1054 5.401,1055 8.365,1056 -0.617,1057 10.199,1058 -0.898,1059 5.916,1060 7.127,1061 2.579,1062 11.549,1063 5.748,1064 9.715,1065 -0.713,1066 11.917,1067 -1.377,1068 7.365,1069 8.907,1070 3.832,1071 14.123,1072 7.163,1073 11.084,1074 -0.826,1075 13.659,1076 -1.515,1077 8.09,1078 9.791,1079 3.848,1080 16.075,1081 7.883,1082 12.468,1083 -1.316,1084 15.419,1085 -2.119,1086 9.329,1087 11.363,1088 4.823,1089 18.474,1090 9.095,1091 3.014,1092 -1.532,1093 17.195,1094 -3.564,1095 10.239,1096 12.428,1097 5.083,1098 20.596,1099 9.998,1100 2.681,1101 9.77,1102 18.983,1103 -4.037,1104 11.387,1105 13.894,1106 5.897,1107 22.925,1108 11.124,1109 2.162,1110 7.683,1111 20.782,1112 3.751,1113 12.389,1114 15.058,1115 6.289,1116 25.127,1117 12.115,1118 2.032,1119 5.999,1120 22.591,1121 3.643,1122 13.5,1123 16.465,1124 7.01,1125 27.426,1126 13.206,1127 1.879,1128 5.758,1129 24.407,1130 2.723,1131 14.546,1132 17.686,1133 7.477,1134 29.667,1135 14.239,1136 1.26,1137 5.225,1138 26.229,1139 2.585,1140 15.643,1141 19.057,1142 8.142,1143 31.954,1144 15.317,1145 0.953,1146 2.729,1147 28.058,1148 2.414,1149 16.712,1150 20.312,1151 8.653,1152 34.213,1153 16.37,1154 3195,1155 6557,1156 12.83,1157 20.318,1158 29.449,1159 31.942,1160 30.271,1161 29.018,1162 29.005,1163 37.739,1164 9.237,1165 80.623,1166 27.643,1167 5.343,1168 5.955,1169 6.014,1170 5.065,1171 5.014,1172 6.751,1173 3.193,1174 16.604,1175 4.954,1176 10.5,1177 1.472,1178 1.597,1179 1.514,1180 1.451,1181 1.45,1182 1.887,1183 0.462,1184 4.031,1185 1.382,1186 3.93,1187 3.962,1188 3.989,1189 3.828,1190 7.446,1191 3.832,1192 3.793,1193 3.82,1194 3.846,1195 3.617,1196 7.413,1197 3.631,1198 3.285,1199 3.35,1200 3.518,1201 3.121,1202 4.907,1203 3.062,1204 3.173,1205 3.242,1206 3.098,1207 2.97,1208 4.823,1209 2.968,1210 3.064,1211 3.085,1212 3.031,1213 2.779,1214 4.582,1215 2.769,1216 2.912,1217 2.944,1218 2.889,1219 2.68,1220 4.302,1221 2.767,1222 2.756,1223 2.829,1224 2.564,1225 2.611,1226 3.694,1227 2.587,1228 2.45,1229 2.519,1230 2.417,1231 2.131,1232 3.509,1233 2.162,1234 0.217,1235 0.198,1236 0.321,1237 0.2,1238 0.151,1239 4.343,1240 0.188,1241 3.955,1242 0.089,1243 6.418,1244 0.489,1245 3.995,1246 0.148,1247 3.014,1248 3.751,1249 1.784,1250 9.77,1251 2.954,1252 1.88,1253 1.854,1254 1.986,1255 2.007,1256 1.059,1257 1.997,1258 1.656,1259 1.631,1260 1.675,1261 1.888,1262 0.631,1263 1.846,1264 1.204,1265 1.135,1266 1.57,1267 1.526,1268 0.573,1269 1.537,1270 1.075,1271 1.031,1272 1.216,1273 1.344,1274 0.231,1275 1.327,1276 0.864,1277 0.829,1278 1.07,1279 1.242,1280 0.135,1281 1.159,1282 0.828,1283 0.806,1284 0.98,1285 1.024,1287 1.046,1288 0.773,1289 0.708,1290 0.928,1291 0.962,1293 0.986,1294 0.322,1295 0.232,1296 0.643,1297 0.683,1299 0.691,1300 3.714,1302 5.004,1304 6.491,1306 8.07,1308 9.694,1310 1.536,1317 7.175,1318 5.039,1326 19.998,1327 56.854,1328 109.372,1329 120.127,1330 128.127,1331 128.127,1332 128.127,1333 35.23,1334 6.136,1335 99.34,1336 131.43,1337 12,1338 11.853,1339 3.459,1340 3,1341 33.75,1342 59,1343 54,1344 0.289,1345 131.304,1346 233.64,1347 312.143,1348 3119,1350 13.828,1351 0.728,1352 0.563,1353 14.328,1354 10.706,1355 9.097,1356 0.455,1357 0.283,1358 5.146,1359 8.3,1360 5.01,1361 4.185,1362 9.385,1363 5.652,1364 8.079,1365 0.299,1366 0.146,1367 8.488,1368 3.95,1369 6.387,1370 0.194,1371 0.074,1372 6.623,1373 2.455,1374 5.308,1375 0.133,1376 0.039,1377 5.68,1378 1.559,1379 3.539,1380 0.08,1381 0.021,1382 3.714,1383 0.906,1384 0.449,1385 61.461,1386 0.279,1387 19.078,1388 0.796,1389 94,1390 378.711,1391 122.836,1392 379.503,1393 493.81,1394 350,1395 107,1396 335.148,1397 129.905,1398 344.137,1399 495.6,1400 320,1401 5.037}
{0 CHEMBL1497019,1 1.593,2 8.9,3 4.515,4 20.386,5 80.864,6 8.762,7 0.87,8 3.608,9 3.694,10 3.396,11 3.292,12 4.732,13 3.249,14 4.094,15 4.214,16 3.814,17 3.675,18 5.175,19 3.622,20 4.202,21 4.351,22 3.766,23 3.742,24 5.228,25 3.644,26 4.183,27 4.357,28 3.602,29 3.618,30 5.179,31 3.506,32 4.11,33 4.332,34 3.444,35 3.472,36 5.036,37 3.34,38 3.855,39 4.041,40 3.228,41 3.308,42 4.786,43 3.154,44 3.619,45 3.777,46 2.96,47 3.117,48 4.586,49 2.997,50 3.564,51 3.758,52 2.6,53 2.961,54 4.5,55 2.82,56 0.002,57 0.423,58 5.086,59 2.761,60 4.518,61 3.142,62 0.129,63 0.742,64 11.057,65 4.677,66 11.232,67 5.075,68 0.082,69 0.808,70 13.437,71 5.952,72 11.606,73 6.61,74 0.11,75 0.821,76 15.053,77 6.022,78 13.934,79 6.628,80 0.157,81 0.788,82 14.832,83 5.714,84 14.336,85 6.761,86 0.137,87 0.616,88 15.094,89 5.304,90 10.327,91 5.489,92 0.07,93 0.453,94 8.494,95 3.412,96 5.486,97 3.654,98 0.041,99 0.409,100 7.07,101 3.142,102 8.069,103 3.93,104 3,105 33,106 0.29,107 0.584,108 0.708,109 0.822,110 0.838,111 0.838,112 3.059,113 0.936,114 -4.21,115 -4.15,116 -3.92,120 50,125 1,143 8,144 1,145 1,147 1,152 1,153 2,163 1,174 7,176 1,177 6,185 8,189 6,197 5,201 7,209 2,213 1,214 4,222 3,226 1,227 1,235 6,247 7,252 1,260 5,264 2,271 2,274 430,275 14.041,276 14.041,277 14.041,278 14.041,279 14.041,280 11.848,281 4.313,282 8.237,283 14.542,284 11.341,285 11.341,286 11.341,287 11.341,288 11.341,289 7.951,290 4.651,291 3.887,292 12.128,293 3.407,294 1.79,295 1.11,296 0.485,297 0.399,298 0.399,299 3.762,306 1,307 1,308 398,309 2.121,312 60.725,313 96.093,315 49.532,316 59.42,319 79.954,320 1.61,321 8.183,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42,333 178,334 4.749,335 3.273,336 6.794,337 4.177,338 3.264,339 4.849,340 0.86,341 11.257,342 2.991,343 4.191,344 2.869,345 6.142,346 3.773,347 2.798,348 3.857,350 9.071,351 2.722,352 3.85,353 2.667,354 5.613,355 3.38,356 2.443,357 3.417,359 7.421,360 2.275,361 3.449,362 2.111,363 5.181,364 2.954,365 2.015,366 2.841,368 6.159,369 1.888,370 3.231,371 1.733,372 4.838,373 2.618,374 1.733,375 2.594,377 5.224,378 1.562,379 3.088,380 1.651,381 4.373,382 2.584,383 1.632,384 2.346,386 4.144,387 1.491,388 2.558,389 1.144,390 3.806,391 2.024,392 1.061,393 1.587,395 2.718,396 1.012,397 2.5,398 1.05,399 3.484,400 2,401 1,402 1.5,404 2.483,405 1,406 2.439,407 1,408 3.247,409 1.909,410 0.964,411 1.41,413 2.136,414 0.906,415 1.694,416 0.849,417 3.053,418 1.333,419 0.464,420 0.536,422 0.763,423 0.4,424 1.506,425 0.108,426 2.824,427 0.947,428 0.076,429 0.111,431 0.198,432 0.065,433 0.811,434 -0.345,435 2.428,436 0.372,437 -0.582,438 -0.772,440 -1.353,441 -0.539,442 0.701,443 -0.662,444 2.262,445 0.232,446 -0.723,447 -0.975,449 -1.684,450 -0.687,451 0.58,452 -0.9,453 2.212,454 0.029,455 -0.911,456 -1.358,458 -2.347,459 -0.834,460 0.5,461 -1,462 1.83,464 -1,465 -1.5,467 -2.756,468 -1,469 9.967,470 0.498,471 0.41,472 0.021,473 29.75,474 1.488,475 16.5,476 0.825,477 13.25,478 0.663,479 12.503,480 0.625,481 19.433,482 0.607,483 17.518,484 0.876,485 5.823,486 0.291,487 4.024,488 0.201,489 0.05,491 0.341,496 0.853,497 1.107,498 0.664,499 0.838,500 0.842,501 0.785,502 1.22,503 1.005,504 0.778,505 0.827,506 1.027,507 0.752,508 1.058,509 1.052,510 0.979,511 0.951,512 0.95,513 0.93,514 0.979,515 1.216,516 1.132,517 1.18,518 1.071,519 1.118,520 0.823,521 0.918,522 0.947,523 0.865,524 0.988,525 0.888,526 0.861,527 0.999,528 1.729,529 1.391,530 0.686,531 1.067,532 1.18,533 0.964,534 1.382,535 1.171,536 0.914,537 1.156,538 0.719,539 1.028,540 1.088,541 1.165,542 1.282,543 1.336,544 3.5,545 0.025,546 2,547 1.486,548 0.774,549 0.751,550 0.274,551 0.142,552 0.106,553 0.063,554 4050,555 10499,556 2.226,557 37.5,559 11,560 1,567 1.615,568 2.143,569 3.141,570 -0.787,575 50.98,576 1.593,577 3.21,578 3.89,579 4.515,580 4.601,581 4.601,582 2.771,583 3.822,584 4.287,585 3.231,586 613.825,587 7.314,588 6033.83,590 1,593 160,594 1.188,595 4.278,596 0.152,597 0.005,598 0.061,599 0.048,600 0.031,601 0.036,602 0.016,603 0.01,604 0.011,605 0.009,606 0.378,607 1,608 1,609 0.648,610 87.782,611 -0.003,612 -0.154,613 0.077,614 -0.017,615 -0.081,616 0.004,617 -0.021,618 0.006,619 0.117,620 0.076,621 -0.06,622 0.082,623 -0.108,624 -0.069,625 -0.006,626 0.016,627 -0.032,628 -0.022,629 -0.058,630 -0.199,631 -0.113,632 -0.198,633 -0.123,634 -0.182,635 0.085,636 0.136,637 0.098,638 0.134,639 0.016,640 0.114,641 0.056,642 0.074,643 -0.275,644 -0.132,645 0.197,646 -0.037,647 -0.269,648 0.03,649 -0.369,650 -0.178,651 -0.113,652 -0.232,653 -0.112,654 -0.132,655 -0.322,656 -0.305,657 -0.385,658 -0.364,659 0.787,660 1.765,661 0.9,662 15.75,663 1.001,664 1.1,665 2.982,666 8.892,667 0.748,668 3.178,669 3.526,670 3.871,671 4.205,672 4.454,673 4.625,674 4.844,675 4.942,676 5.011,677 5.05,678 5.063,679 0.706,680 280.37,681 3.178,682 4.727,683 5.609,684 6.512,685 7.415,686 8.329,687 9.242,688 10.161,689 11.08,690 12.003,691 6.3,699 1,701 1,708 3,709 9,710 1,713 1,714 3,716 20,735 1,738 32,739 20,740 2,741 23,743 35,744 16,745 15,746 4,747 8,752 4,753 7,768 15,769 1,786 1,789 12,790 2,792 4,793 1,794 1,797 2,803 0.5,804 1,822 2,823 2,825 1,826 1,829 1,855 2,857 1,859 1,862 20,872 1,879 1,886 3.1,891 1,893 9.333,894 6.233,895 4.361,896 1.822,898 3.968,899 1.545,900 1.07,901 2.74,902 11.247,903 3.526,904 4.241,905 4.974,906 5.706,907 6.324,908 6.839,909 7.431,910 7.886,911 8.291,912 8.685,913 1,914 31,915 7.343,917 3.143,918 7.517,919 14.276,921 11.96,924 2.017,925 40.333,926 0.001,929 141.253,930 141.094,931 18.072,933 11,935 31.278,936 109.816,937 152.253,938 18.072,939 10.883,941 84.857,942 16.786,943 23.472,944 14.661,945 160.76,947 141.253,948 127.888,949 11,950 31.278,952 141.253,953 11,956 4.043,957 107.059,958 16.786,959 31.278,960 141.253,961 29.072,962 141.094,965 141.253,966 45.353,967 97.027,969 27.785,970 141.253,971 29.072,972 141.094,973 0.58,974 0.351,975 0.198,976 0.11,977 19,978 7,979 0.057,980 2,981 2,982 1.222,983 3.347,984 160.781,985 0.222,986 18,987 82.439,989 1,993 11.915,994 4.599,995 1.933,996 3.36,997 27.785,998 18.452,999 4.716,1002 1.679,1003 3.032,1006 311.419,1007 33,1020 32.025,1021 35.202,1022 0.319,1023 0.642,1024 0.778,1025 0.903,1026 0.92,1027 0.92,1028 4.745,1029 1,1030 5.595,1031 2.718,1032 4.205,1033 4.927,1034 0.908,1035 6.444,1036 4.076,1037 5.988,1038 0.964,1039 7.168,1040 2.483,1041 3.761,1042 4.808,1044 7.38,1045 3.543,1046 7.321,1047 0.464,1048 8.841,1049 2.136,1050 5.826,1051 7.301,1052 0.739,1053 10.524,1054 5.57,1055 8.698,1056 0.076,1057 10.575,1058 0.763,1059 6.256,1060 8.085,1062 12.326,1063 5.891,1064 10.111,1065 -0.582,1066 12.347,1067 0.198,1068 7.761,1069 10.007,1070 0.593,1071 14.972,1072 7.366,1073 11.55,1074 -0.723,1075 14.147,1076 -1.353,1077 8.592,1078 11.219,1080 17.13,1081 8.082,1082 13.011,1083 -0.911,1084 15.967,1085 -1.684,1086 9.88,1087 12.919,1088 0.469,1089 19.614,1090 9.327,1091 3.264,1092 -1,1093 17.802,1094 -2.347,1095 10.897,1096 14.332,1098 21.92,1099 10.231,1100 2.798,1101 11.257,1102 19.649,1103 -2.756,1104 12.103,1105 15.946,1106 0.366,1107 24.352,1108 11.378,1109 2.443,1110 9.071,1111 21.506,1112 4.849,1113 13.204,1114 17.45,1116 26.721,1117 12.372,1118 2.015,1119 7.421,1120 23.372,1121 3.857,1122 14.381,1123 19.035,1124 0.283,1125 29.138,1126 13.477,1127 1.733,1128 6.159,1129 25.244,1130 3.417,1131 15.52,1132 20.579,1134 31.533,1135 14.514,1136 1.632,1137 5.224,1138 27.122,1139 2.841,1140 16.691,1141 22.156,1142 0.217,1143 33.947,1144 15.603,1145 1.061,1146 4.144,1147 29.004,1148 2.594,1149 17.849,1150 23.717,1152 36.354,1153 16.663,1154 3800,1155 6239,1156 16.008,1157 23.921,1158 34.943,1159 35.267,1160 35.668,1161 34.829,1162 34.897,1163 50.095,1164 1.72,1165 103.148,1166 32.625,1167 5.389,1168 5.273,1169 6.596,1170 5.342,1171 5.264,1172 7.849,1173 1.72,1174 18.386,1175 4.991,1176 5.703,1177 1.519,1178 1.533,1179 1.551,1180 1.514,1181 1.517,1182 2.178,1183 0.075,1184 4.485,1185 1.418,1186 4.212,1187 4.238,1188 4.428,1189 4.153,1190 5.095,1191 4.126,1192 3.883,1193 3.909,1194 3.838,1195 3.836,1196 4.794,1197 3.826,1198 3.624,1199 3.659,1200 3.585,1201 3.489,1202 4.669,1203 3.499,1204 3.221,1205 3.286,1206 3.314,1207 3.06,1208 4.281,1209 3.011,1210 2.99,1211 3.016,1212 3.027,1213 2.926,1214 3.768,1215 2.893,1216 2.856,1217 2.925,1218 2.729,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.918,1224 2.687,1225 2.727,1226 3.642,1227 2.714,1228 2.583,1229 2.644,1230 2.458,1231 2.468,1232 3.474,1233 2.449,1234 0.206,1235 0.142,1236 0.295,1237 0.182,1238 0.142,1239 4.749,1240 0.211,1241 3.273,1242 0.037,1243 6.794,1244 0.489,1245 4.177,1246 0.13,1247 3.264,1248 4.849,1249 0.86,1250 11.257,1251 2.991,1252 1.943,1253 1.923,1254 2.03,1255 2.035,1256 1.159,1257 2.033,1258 1.885,1259 1.862,1260 1.975,1261 1.967,1262 1.082,1263 1.977,1264 1.471,1265 1.444,1266 1.591,1267 1.658,1268 0.694,1269 1.643,1270 1.309,1271 1.278,1272 1.473,1273 1.467,1274 0.571,1275 1.498,1276 1.176,1277 1.109,1278 1.295,1279 1.421,1280 0.463,1281 1.425,1282 0.886,1283 0.838,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.884,1289 0.821,1290 1.085,1291 1.009,1292 0.202,1293 1.054,1294 0.703,1295 0.648,1296 0.905,1297 0.863,1298 0.036,1299 0.903,1300 3.85,1302 5.187,1303 3.045,1304 6.725,1305 5.476,1306 8.353,1307 7.636,1308 10.033,1310 1.688,1318 5.265,1326 22.579,1327 50.98,1328 102.716,1329 124.49,1330 144.49,1331 147.245,1332 147.245,1333 17.906,1334 7.279,1335 26.53,1336 54.77,1337 22,1338 12.511,1339 4.392,1340 3.459,1341 26.271,1342 61,1343 63,1344 0.224,1345 139.971,1346 220.5,1347 333.289,1348 12785,1350 13.527,1351 0.676,1352 0.586,1353 13.88,1354 11.724,1355 9.848,1356 0.428,1357 0.312,1358 6.352,1359 9.114,1360 6.11,1361 5.073,1362 10.256,1363 7.177,1364 8.8,1365 0.267,1366 0.169,1367 9.443,1368 5.59,1369 7.985,1370 0.17,1371 0.093,1372 8.757,1373 4.388,1374 6.967,1375 0.106,1376 0.051,1377 7.939,1378 3.393,1379 5.72,1380 0.067,1381 0.028,1382 6.686,1383 2.394,1384 0.343,1385 65.23,1386 0.25,1387 19.778,1388 0.637,1389 112,1390 301.886,1391 146.471,1392 316.398,1393 450.76,1394 300,1395 136,1396 331.978,1397 168.176,1398 354.96,1399 526.1,1400 334,1401 5.652}
{0 CHEMBL1497119,1 1.739,2 7.259,3 4.555,4 20.748,5 103.282,6 9.957,7 0.533,8 3.826,9 3.908,10 3.634,11 3.485,12 5.095,13 3.479,14 4.315,15 4.419,16 4.082,17 3.905,18 5.537,19 3.885,20 4.594,21 4.71,22 4.367,23 4.1,24 5.858,25 4.076,26 4.689,27 4.81,28 4.335,29 4.17,30 6.013,31 4.142,32 4.759,33 4.884,34 4.389,35 4.204,36 6.131,37 4.173,38 4.817,39 4.967,40 4.443,41 4.189,42 6.232,43 4.145,44 4.706,45 4.886,46 4.234,47 3.995,48 6.229,49 3.9,50 4.451,51 4.685,52 3.59,53 3.598,54 5.757,55 3.411,56 0.1,57 0.526,58 3.761,59 2.921,60 13.081,61 3.072,62 0.236,63 0.838,64 8.38,65 5.324,66 19.286,67 6.091,68 0.487,69 1.09,70 18.849,71 7.248,72 52.86,73 7.167,74 0.448,75 1.214,76 18.646,77 8.051,78 63.751,79 8.432,80 0.587,81 1.298,82 19.307,83 8.653,84 64.466,85 8.91,86 0.676,87 1.352,88 21.711,89 9.51,90 78.813,91 9.757,92 0.714,93 1.182,94 25.249,95 9.392,96 108.765,97 10.573,98 0.623,99 0.897,100 30.212,101 8.262,102 94.827,103 9.191,104 41,105 45,106 0.301,107 0.69,108 0.777,109 0.871,110 0.891,111 0.891,112 3.343,113 0.887,114 -4.12,115 -4.06,116 -3.84,120 50,121 1,123 1,137 1,140 1,143 7,144 2,145 3,153 2,159 2,164 1,165 1,166 1,174 9,176 1,177 8,179 1,180 1,182 1,185 10,187 1,188 1,189 7,194 1,197 12,199 1,200 1,201 9,203 1,204 1,206 2,209 13,211 2,213 2,214 10,216 1,217 1,219 2,222 13,224 2,227 9,232 4,235 10,237 4,239 1,240 9,242 1,243 1,245 4,247 10,249 4,252 4,260 10,271 4,274 1006,275 18.113,276 18.113,277 18.113,278 18.113,279 18.113,280 15.554,281 17.183,282 10.286,283 18.523,284 14.696,285 14.696,286 14.696,287 14.696,288 14.696,289 10.794,290 19.131,291 4.698,292 15.544,293 3.582,294 1.333,295 0.829,296 0.288,297 0.169,298 0.169,299 4.033,303 2,306 1,307 1,308 420,309 3.082,312 39.245,313 169.94,316 155.285,320 0.955,321 36.085,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 58.167,333 196,334 4.86,335 4.163,336 7.337,337 4.463,338 3.501,339 4.771,340 2.278,341 13.263,342 3.366,343 4.438,344 3.815,345 6.758,346 4.022,347 3.065,348 4.061,349 1.886,350 10.986,351 2.941,352 4.178,353 3.553,354 6.203,355 3.661,356 2.744,357 3.661,358 1.248,359 8.915,360 2.475,361 3.803,362 3.319,363 5.977,364 3.4,365 2.43,366 3.214,367 1.041,368 8.141,369 2.351,370 3.583,371 2.97,372 5.703,373 3.092,374 2.138,375 2.909,377 7.151,378 2.031,379 3.351,380 2.735,381 5.339,382 2.949,383 2.01,384 2.594,386 6.195,387 1.825,388 3.223,389 2.212,390 4.704,391 2.522,392 1.564,393 2.104,395 4.444,396 1.473,397 2.978,398 2.208,399 4.316,400 2.382,401 1.414,402 2.035,404 3.567,405 1.357,406 2.87,407 1.84,408 3.885,409 2.355,410 1.395,411 1.996,413 3.177,414 1.282,415 2.845,416 1.652,417 3.66,418 2.264,419 1.298,420 1.756,422 2.936,423 1.236,424 2.467,425 1.369,426 3.564,427 1.723,428 0.775,429 1.163,431 1.785,432 0.726,433 2.094,434 1.109,435 3.502,436 1.566,437 0.624,438 0.862,440 1.44,441 0.562,442 1.433,443 0.966,444 2.941,445 0.86,446 0.117,447 0.144,449 0.242,450 0.071,451 1.15,452 0.646,453 2.561,454 0.65,455 -0.27,456 -0.319,458 -0.559,459 -0.241,460 0.986,461 0.286,462 2.496,463 0.586,464 -0.312,465 -0.462,467 -0.756,468 -0.269,469 13.295,470 0.492,471 0.806,472 0.03,473 37.5,474 1.389,475 20,476 0.741,477 17.5,478 0.648,479 23.537,480 0.872,481 26.905,482 0.673,483 29.735,484 1.101,485 7.378,486 0.273,487 5.573,488 0.206,489 0.23,491 0.444,496 0.72,497 1.014,498 0.505,499 0.737,500 0.606,501 0.699,502 0.615,503 1.027,504 0.535,505 0.804,506 0.491,507 0.767,508 1.125,509 0.947,510 0.734,511 0.755,512 0.919,513 0.767,514 1.053,515 1.075,516 0.95,517 1.005,518 0.886,519 0.956,520 1.051,521 1.058,522 0.912,523 1.008,524 1.121,525 0.993,526 1.091,527 1.12,528 0.842,529 0.987,530 1.105,531 0.993,532 0.84,533 1.123,534 1.058,535 1.182,536 0.991,537 1.199,538 1.289,539 0.841,540 1.666,541 1.202,542 1.648,543 1.304,544 4.5,546 3.556,547 3.236,548 2.556,549 1.91,550 1.287,551 0.463,552 0.169,553 0.031,554 6750,555 24452,556 2.053,557 32.5,559 7,562 2,563 4,567 1.716,568 1.862,569 2.854,570 0.267,575 69.578,576 1.739,577 3.989,578 4.493,579 5.034,580 5.153,581 5.153,582 2.177,583 4.208,584 4.73,585 2.974,586 1043.88,587 8.29,588 12675.3,590 1,593 212.877,594 1.53,595 4.656,596 0.15,598 0.079,599 0.061,600 0.046,601 0.034,602 0.024,603 0.013,604 0.011,605 0.008,606 0.424,607 0.5,608 1,609 0.936,610 127.214,611 -0.08,612 0.015,613 -0.002,614 0.036,615 -0.064,616 0.048,617 0.115,618 -0.043,619 0.089,620 0.039,621 0.054,622 0.066,623 -0.099,624 0.055,625 0.088,626 0.142,627 -0.095,628 0.084,629 -0.107,630 -0.073,631 -0.126,632 -0.114,633 -0.026,634 -0.096,635 -0.031,636 -0.057,637 -0.096,638 -0.108,639 -0.076,640 -0.125,641 -0.026,642 -0.123,643 0.059,644 -0.038,645 -0.01,646 -0.057,647 0.188,648 -0.162,649 0.053,650 -0.152,651 0.231,652 -0.152,653 -0.187,654 0.104,655 -0.224,656 -0.044,657 -0.264,658 -0.104,659 2.013,660 5.516,661 0.704,662 18.398,663 1.023,664 1.107,665 2.887,666 8.337,667 0.755,668 3.434,669 3.829,670 4.22,671 4.605,672 4.942,673 5.147,674 5.333,675 5.451,676 5.468,677 5.481,678 4.797,679 0.733,680 398.26,681 3.434,682 5.017,683 5.927,684 6.866,685 7.805,686 8.756,687 9.705,688 10.66,689 11.614,690 12.57,691 7.5,692 1,699 1,700 1,708 2,709 7,714 5,715 1,716 16,735 1,737 2,738 40,739 19,740 2,741 30,743 43,744 20,745 14,746 5,747 7,748 1,752 4,753 7,754 2,759 1,764 1,767 1,768 17,769 2,770 1,772 2,778 1,782 3,786 1,789 13,790 4,791 2,792 7,793 2,797 3,803 0.5,804 2,818 1,822 1,823 3,826 2,833 1,846 1,848 1,855 2,859 1,860 2,862 27,863 1,872 1,874 1,877 1,882 1,884 1,885 2,886 5,889 1,891 1,893 14.5,894 7.769,895 5.917,896 2.306,898 3.688,899 1.471,900 1.019,901 4.392,902 11.514,903 3.761,904 4.428,905 5.113,906 5.796,907 6.402,908 6.856,909 7.359,910 7.816,911 8.113,912 8.45,913 0.8,914 53,915 9.97,917 4.459,918 7.99,919 18.416,921 15.515,924 2.49,925 67.222,928 1,929 129.482,930 127.37,931 65.856,932 78.297,933 36.145,936 127.37,937 243.924,938 65.856,939 8.825,940 32.897,941 66.334,942 46.451,943 69.962,944 4.901,945 129.482,946 78.297,947 129.482,948 193.225,949 36.145,950 78.297,952 129.482,953 36.145,956 74.681,957 118.544,958 78.297,960 129.482,961 102,962 205.667,965 129.482,966 35.609,967 77.058,968 16.602,969 178.399,970 129.482,971 102,972 205.667,973 0.592,974 0.376,975 0.224,976 0.135,977 24,978 12,979 0.023,980 1,981 2,982 1.211,983 3.497,984 262.432,985 0.211,986 19,987 128.382,993 17.934,994 6.612,995 2.624,996 1.399,997 100.101,998 12.499,1003 2.192,1004 1.538,1005 32.897,1006 437.149,1007 42,1013 12.516,1017 -0.05,1020 40.909,1021 44.293,1022 0.327,1023 0.75,1024 0.844,1025 0.946,1026 0.968,1027 0.968,1028 5.043,1029 1.414,1030 5.958,1031 4.444,1032 4.511,1033 5.115,1034 3.069,1035 6.901,1036 4.404,1037 6.31,1038 1.395,1039 7.6,1040 3.567,1041 4.29,1042 5.103,1043 1.917,1044 8.061,1045 4.104,1046 7.667,1047 1.298,1048 9.346,1049 3.177,1050 6.221,1051 7.436,1052 4.317,1053 11.265,1054 6.028,1055 9.062,1056 0.775,1057 11.152,1058 2.936,1059 6.825,1060 8.261,1061 3.278,1062 13.263,1063 6.561,1064 10.489,1065 0.624,1066 12.995,1067 1.785,1068 8.272,1069 10.091,1070 5.793,1071 16.016,1072 7.998,1073 11.942,1074 0.117,1075 14.864,1076 1.44,1077 9.236,1078 11.304,1079 4.694,1080 18.356,1081 8.906,1082 13.415,1083 -0.27,1084 16.752,1085 0.242,1086 10.521,1087 12.946,1088 7.351,1089 20.971,1090 10.17,1091 3.501,1092 -0.312,1093 18.655,1094 -0.559,1095 11.638,1096 14.34,1097 6.174,1098 23.45,1099 11.241,1100 3.065,1101 13.263,1102 20.57,1103 -0.756,1104 12.874,1105 15.913,1106 8.943,1107 26.028,1108 12.45,1109 2.744,1110 10.986,1111 22.495,1112 4.771,1113 14.057,1114 17.39,1115 7.711,1116 28.563,1117 13.592,1118 2.43,1119 8.915,1120 24.428,1121 4.061,1122 15.283,1123 18.942,1124 10.55,1125 31.134,1126 14.787,1127 2.138,1128 8.141,1129 26.368,1130 3.661,1131 16.495,1132 20.459,1133 9.299,1134 33.692,1135 15.96,1136 2.01,1137 7.151,1138 28.314,1139 3.214,1140 17.724,1141 22.007,1142 12.167,1143 36.265,1144 17.155,1145 1.564,1146 6.195,1147 30.266,1148 2.909,1149 18.95,1150 23.542,1151 10.929,1152 38.834,1153 18.343,1154 6632,1155 12726,1156 19.422,1157 30.21,1158 47.847,1159 50.636,1160 49.895,1161 46.316,1162 46.149,1163 62.539,1164 12.906,1165 144.481,1166 43.392,1167 5.703,1168 6.163,1169 7.015,1170 5.561,1171 5.501,1172 7.771,1173 4.525,1174 21.13,1175 5.366,1176 15.542,1177 1.595,1178 1.688,1179 1.663,1180 1.544,1181 1.538,1182 2.085,1183 0.43,1184 4.816,1185 1.446,1186 4.184,1187 4.206,1188 4.195,1189 4.093,1190 7.429,1191 4.105,1192 3.906,1193 3.922,1194 4.069,1195 3.869,1196 6.82,1197 3.859,1198 3.657,1199 3.685,1200 3.663,1201 3.556,1202 5.153,1203 3.564,1204 3.522,1205 3.563,1206 3.441,1207 3.325,1208 5.025,1209 3.347,1210 3.213,1211 3.266,1212 3.397,1213 3.074,1214 4.867,1215 3.08,1216 3.021,1217 3.104,1218 3.248,1219 2.859,1220 4.488,1221 2.855,1222 2.912,1223 2.966,1224 3.133,1225 2.837,1226 4.375,1227 2.806,1228 2.899,1229 2.96,1230 2.892,1231 2.766,1232 4.256,1233 2.758,1234 0.162,1235 0.139,1236 0.245,1237 0.149,1238 0.117,1239 4.86,1240 0.159,1241 4.163,1242 0.076,1243 7.337,1244 0.442,1245 4.463,1246 0.112,1247 3.501,1248 4.771,1249 2.278,1250 13.263,1251 3.366,1252 1.953,1253 1.941,1254 2.023,1255 2.039,1256 1.25,1257 2.031,1258 1.93,1259 1.906,1260 2.001,1261 2.017,1262 1.147,1263 2.02,1264 1.695,1265 1.675,1266 1.778,1267 1.829,1268 0.899,1269 1.821,1270 1.462,1271 1.419,1272 1.664,1273 1.678,1274 0.708,1275 1.671,1276 1.163,1277 1.119,1278 1.328,1279 1.359,1280 0.374,1281 1.363,1282 0.982,1283 0.936,1284 1.181,1285 1.232,1286 0.28,1287 1.206,1288 0.901,1289 0.845,1290 1.127,1291 1.117,1292 0.151,1293 1.128,1294 0.847,1295 0.827,1296 1.005,1297 1.049,1298 0.081,1299 1.059,1300 4.111,1302 5.485,1303 2.398,1304 7.076,1305 4.949,1306 8.772,1307 7.261,1308 10.524,1310 1.455,1311 12.655,1313 6.061,1318 5.787,1320 -0.679,1324 9.745,1325 2.104,1326 29.31,1327 69.578,1328 159.574,1329 179.716,1330 201.367,1331 206.122,1332 206.122,1333 57.773,1334 7.826,1335 81.04,1336 81.04,1337 23,1338 13.056,1339 4.322,1340 3.7,1341 39.52,1342 76,1343 72,1344 0.261,1345 185.883,1346 324.38,1347 445.316,1348 23842,1349 5,1350 19.292,1351 0.715,1352 0.581,1353 20.292,1354 15.675,1355 12.952,1356 0.432,1357 0.296,1358 8.089,1359 12.039,1360 7.825,1361 6.425,1362 13.529,1363 8.867,1364 11.968,1365 0.266,1366 0.154,1367 12.672,1368 6.939,1369 10.677,1370 0.159,1371 0.082,1372 11.666,1373 5.464,1374 9.579,1375 0.097,1376 0.04,1377 10.083,1378 3.963,1379 8.306,1380 0.06,1381 0.021,1382 8.731,1383 2.88,1384 0.38,1385 86.597,1386 0.227,1387 24.484,1388 0.829,1389 150,1390 466.48,1391 192.373,1392 516.576,1393 687.93,1394 478,1395 187,1396 468.113,1397 227.878,1398 492.923,1399 733.63,1400 465,1401 4.373}
{0 CHEMBL1497165,1 1.843,2 10.5,3 5.648,4 31.897,5 136.42,6 9.494,7 0.684,8 4.126,9 4.195,10 4.081,11 3.785,12 5.268,13 3.734,14 4.639,15 4.759,16 4.398,17 4.183,18 5.944,19 4.117,20 4.807,21 4.921,22 4.468,23 4.303,24 5.975,25 4.217,26 5.033,27 5.186,28 4.624,29 4.374,30 6.322,31 4.271,32 5.04,33 5.192,34 4.636,35 4.356,36 6.353,37 4.283,38 5.029,39 5.18,40 4.475,41 4.379,42 6.387,43 4.286,44 5.036,45 5.221,46 4.52,47 4.411,48 6.179,49 4.294,50 4.93,51 5.067,52 4.569,53 4.389,54 6.179,55 4.284,56 0.155,57 0.821,58 10.267,59 5.256,60 19.787,61 5.075,62 0.523,63 1.325,64 18.36,65 9.001,66 55.182,67 9.122,68 0.34,69 1.59,70 27.927,71 12.071,72 38.907,73 11.405,74 0.859,75 1.941,76 41.798,77 15.368,78 102.308,79 13.417,80 0.905,81 1.931,82 41.951,83 15.116,84 99.05,85 13.468,86 0.901,87 1.859,88 34.551,89 14.304,90 135.217,91 13.769,92 0.788,93 1.927,94 42.295,95 15.769,96 81.591,97 16.314,98 0.494,99 1.778,100 33.954,101 14.038,102 50.445,103 13.392,104 27,105 56,106 0.298,107 0.635,108 0.788,109 0.877,110 0.883,111 0.883,112 3.561,113 1.052,114 -3.46,115 -3.44,116 -3.29,120 42.6,121 1,125 1,126 2,143 8,144 3,145 2,147 3,148 1,152 1,153 1,174 8,176 4,177 7,180 1,182 1,185 8,189 14,194 1,197 5,200 4,201 14,204 1,206 2,209 2,213 4,214 12,219 2,222 4,226 2,227 6,230 2,235 8,239 1,240 10,243 1,245 3,247 12,251 1,252 10,255 1,257 3,260 11,263 3,264 6,267 1,269 1,271 8,274 2188,275 22.883,276 22.883,277 22.883,278 22.883,279 22.883,280 19.52,281 18.923,282 13.143,283 23.605,284 18.694,285 18.694,286 18.694,287 18.694,288 18.694,289 13.539,290 21.839,291 6.163,292 19.823,293 3.912,294 1.824,295 0.88,296 0.324,297 0.287,298 0.287,299 4.262,307 1,308 785,309 4.123,312 174.92,313 284.234,316 143.715,317 159.94,320 1.471,321 48.456,324 0.75,325 0.83,326 0.83,327 0.3,329 0.67,330 1,331 0.63,332 74,333 357,334 5.018,335 4.767,336 7.799,337 4.527,338 3.601,339 4.925,340 0.86,341 14.318,342 3.312,343 4.502,344 3.207,345 6.493,346 4.022,347 3.051,348 4.43,349 0.759,350 9.935,351 2.965,352 4.358,353 2.987,354 6.328,355 3.858,356 2.888,357 4.203,358 0.359,359 9.663,360 2.798,361 3.949,362 2.844,363 5.859,364 3.528,365 2.572,366 3.484,368 8.063,369 2.459,370 3.911,371 2.761,372 5.66,373 3.429,374 2.519,375 3.449,377 7.335,378 2.277,379 3.607,380 2.457,381 5.353,382 3.185,383 2.215,384 3.03,386 6.683,387 2.148,388 3.516,389 2.351,390 5.215,391 3.091,392 2.141,393 2.878,395 6.443,396 2.016,397 3.197,398 2.129,399 4.807,400 2.722,401 1.779,402 2.509,404 5.053,405 1.673,406 3.107,407 1.803,408 4.636,409 2.629,410 1.665,411 2.385,413 4.738,414 1.598,415 2.84,416 1.517,417 4.459,418 2.402,419 1.448,420 1.898,422 4.103,423 1.373,424 2.595,425 1.35,426 3.822,427 2.119,428 1.164,429 1.639,431 2.789,432 1.109,433 2.539,434 1.188,435 3.556,436 2.1,437 1.107,438 1.549,440 2.48,441 1.091,442 2.312,443 1.105,444 3.442,445 1.864,446 0.915,447 1.233,449 2.292,450 0.86,451 2.118,452 1.061,453 3.338,454 1.464,455 0.618,456 0.927,458 1.372,459 0.507,460 1.996,461 0.618,462 3.013,463 1.463,464 0.551,465 0.743,467 1.268,468 0.485,469 16.933,470 0.498,471 0.981,472 0.029,473 47.75,474 1.404,475 26,476 0.765,477 21.75,478 0.64,479 30.841,480 0.907,481 35.267,482 0.653,483 39.531,484 1.163,485 9.077,486 0.267,487 7.285,488 0.214,489 0.118,490 0.049,491 0.319,496 0.652,497 1.257,498 0.719,499 1.064,500 0.749,501 0.844,502 0.763,503 0.852,504 0.738,505 0.712,506 0.568,507 0.716,508 0.958,509 1.357,510 1.179,511 1.291,512 0.904,513 1.129,514 1.347,515 1,516 0.979,517 0.932,518 1.61,519 0.98,520 1.282,521 1.005,522 1.044,523 1.087,524 1.609,525 0.934,526 1.169,527 0.972,528 1.047,529 0.967,530 1.301,531 1.047,532 0.876,533 0.885,534 0.948,535 0.9,536 0.932,537 0.857,538 0.902,539 1.183,540 1.009,541 1.123,542 0.852,543 1.086,544 8,545 0.169,546 4.667,547 3.16,548 2.905,549 1.611,550 1.087,551 0.767,552 0.563,553 0.351,554 15268,555 48773,556 2.102,557 37,558 3,559 15,560 1,562 1,567 1.769,568 1.952,569 3.306,570 -0.275,575 99.529,576 1.843,577 3.931,578 4.875,579 5.431,580 5.468,581 5.468,582 2.694,583 4.676,584 5.061,585 3.508,586 1968.25,587 8.927,588 28886.6,593 310.764,594 1.583,595 5.007,596 0.211,597 0.006,598 0.083,599 0.054,600 0.049,601 0.026,602 0.019,603 0.013,604 0.009,605 0.008,606 0.479,607 0.33,608 0.75,609 0.706,610 177.831,611 0.054,612 -0.216,613 0.155,614 -0.1,615 -0.156,616 0.011,617 0.144,618 0.182,619 0.093,620 0.186,621 0.208,622 0.159,623 -0.098,624 -0.327,625 -0.171,626 -0.261,627 -0.048,628 -0.207,629 -0.115,630 0.019,631 0.025,632 0.054,633 -0.127,634 -0.051,635 -0.033,636 0.013,637 0.02,638 -0.059,639 -0.071,640 0.013,641 -0.037,642 0.004,643 -0.146,644 -0.04,645 0.059,646 -0.118,647 0.021,648 0.087,649 0.069,650 0.107,651 -0.02,652 0.165,653 -0.029,654 -0.176,655 -0.029,656 -0.123,657 -0.004,658 -0.141,659 4.921,660 7.016,661 0.706,662 30.076,663 1.019,664 1.109,665 2.233,666 4.987,667 0.738,668 3.664,669 4.043,670 4.357,671 4.654,672 4.875,673 4.984,674 5.13,675 5.268,676 5.323,677 5.38,678 6.488,679 0.699,680 512.68,681 3.664,682 5.242,683 6.12,684 7.031,685 7.929,686 8.844,687 9.75,688 10.667,689 11.578,690 12.497,691 7.4,694 1,701 3,708 4,709 9,710 3,713 2,714 6,716 26,734 1,735 1,738 54,739 28,740 2,741 38,743 58,744 23,745 19,746 7,747 5,752 5,753 7,759 1,768 19,769 4,772 2,776 1,778 2,789 20,790 8,791 1,792 11,793 3,797 4,803 0.6,804 4,816 1,822 2,823 3,826 1,827 1,855 3,857 3,859 2,862 34,866 1,868 1,869 2,872 1,875 1,880 1,886 7.4,888 1,889 2,891 1,893 17.417,894 10.5,895 7.306,896 2.96,898 4.017,899 1.502,900 1.01,901 6.337,902 12.014,903 3.989,904 4.7,905 5.329,906 5.966,907 6.486,908 6.837,909 7.24,910 7.623,911 7.856,912 8.037,913 0.857,914 58,915 12.966,917 6.013,918 7.875,919 23.817,921 20.078,924 2.375,925 80.75,929 223.651,930 198.819,931 48.256,933 97.996,935 67.911,936 130.908,937 321.647,938 48.256,939 19.708,940 4.211,941 89.266,942 133.734,943 34.689,944 13.13,945 273.984,947 223.651,948 179.164,949 97.996,950 67.911,952 223.651,953 97.996,956 20.988,957 111.439,958 52.545,959 62.104,960 223.651,961 146.252,962 198.819,964 5.807,965 223.651,966 89.844,967 104.686,969 144.734,970 223.651,971 146.252,972 198.819,973 0.594,974 0.359,975 0.196,976 0.104,977 29,978 13,979 0.121,980 7,981 2,982 1.167,983 4.263,984 345.065,985 0.167,986 24,987 170.974,989 2,992 1,993 23.245,994 9.27,995 4.466,996 2.214,997 146.252,998 16.216,999 12.743,1002 2.445,1003 2.413,1005 42.683,1006 568.722,1007 53,1011 -4.005,1013 28.033,1020 55.014,1021 59.912,1022 0.32,1023 0.683,1024 0.847,1025 0.944,1026 0.95,1027 0.95,1028 5.244,1029 1.779,1030 6.151,1031 6.443,1032 4.727,1033 5.389,1034 1.358,1035 7.048,1036 4.618,1037 6.511,1038 1.665,1039 7.77,1040 5.053,1041 4.511,1042 5.485,1044 8.283,1045 4.333,1046 7.878,1047 1.448,1048 9.504,1049 4.738,1050 6.438,1051 7.785,1052 1.026,1053 11.409,1054 6.218,1055 9.289,1056 1.164,1057 11.311,1058 4.103,1059 7.057,1060 8.711,1062 13.532,1063 6.746,1064 10.737,1065 1.107,1066 13.168,1067 2.789,1068 8.495,1069 10.514,1070 0.786,1071 16.287,1072 8.143,1073 12.211,1074 0.915,1075 15.063,1076 2.48,1077 9.474,1078 11.796,1080 18.752,1081 9.024,1082 13.706,1083 0.618,1084 16.988,1085 2.292,1086 10.761,1087 13.43,1088 0.598,1089 21.425,1090 10.256,1091 3.601,1092 0.551,1093 18.937,1094 1.372,1095 11.897,1096 14.868,1098 24.014,1099 11.294,1100 3.051,1101 14.318,1102 20.906,1103 1.268,1104 13.146,1105 16.448,1106 0.45,1107 26.672,1108 12.472,1109 2.888,1110 9.935,1111 22.89,1112 4.925,1113 14.35,1114 17.955,1116 29.306,1117 13.581,1118 2.572,1119 9.663,1120 24.888,1121 4.43,1122 15.597,1123 19.52,1124 0.336,1125 31.963,1126 14.746,1127 2.519,1128 8.063,1129 26.897,1130 4.203,1131 16.834,1132 21.06,1134 34.614,1135 15.888,1136 2.215,1137 7.335,1138 28.914,1139 3.484,1140 18.088,1141 22.625,1142 0.25,1143 37.273,1144 17.054,1145 2.141,1146 6.683,1147 30.938,1148 3.449,1149 19.341,1150 24.181,1152 39.93,1153 18.214,1154 14298,1155 25800,1156 25.255,1157 39.875,1158 57.958,1159 59.145,1160 59.243,1161 57.549,1162 57.621,1163 79.991,1164 3.954,1165 175.3,1166 54.418,1167 5.902,1168 6.767,1169 7.413,1170 5.633,1171 5.601,1172 7.925,1173 1.72,1174 22.833,1175 5.312,1176 16.645,1177 1.525,1178 1.556,1179 1.559,1180 1.514,1181 1.516,1182 2.105,1183 0.104,1184 4.613,1185 1.432,1186 4.171,1187 4.167,1188 4.755,1189 4.147,1190 7.715,1191 4.085,1192 4.056,1193 4.073,1194 4.212,1195 3.99,1196 6.999,1197 3.99,1198 3.875,1199 3.889,1200 4.192,1201 3.902,1202 6.475,1203 3.821,1204 3.727,1205 3.714,1206 4.033,1207 3.678,1208 5.036,1209 3.59,1210 3.532,1211 3.536,1212 3.532,1213 3.417,1214 4.954,1215 3.403,1216 3.364,1217 3.418,1218 3.486,1219 3.273,1220 4.669,1221 3.221,1222 3.224,1223 3.282,1224 3.098,1225 2.982,1226 4.58,1227 2.988,1228 3.062,1229 3.119,1230 2.925,1231 2.888,1232 4.313,1233 2.873,1234 0.132,1235 0.125,1236 0.205,1237 0.119,1238 0.095,1239 5.018,1240 0.13,1241 4.767,1242 0.023,1243 7.799,1244 0.377,1245 4.527,1246 0.087,1247 3.601,1248 4.925,1249 0.86,1250 14.318,1251 3.312,1252 2.039,1253 2.028,1254 2.098,1255 2.13,1256 1.301,1257 2.131,1258 1.986,1259 1.987,1260 2.001,1261 2.049,1262 1.218,1263 2.071,1264 1.672,1265 1.65,1266 1.777,1267 1.817,1268 1.04,1269 1.832,1270 1.495,1271 1.465,1272 1.662,1273 1.644,1274 0.812,1275 1.645,1276 1.418,1277 1.413,1278 1.564,1279 1.557,1280 0.65,1281 1.587,1282 1.324,1283 1.351,1284 1.525,1285 1.439,1286 0.607,1287 1.471,1288 1.223,1289 1.154,1290 1.461,1291 1.431,1292 0.579,1293 1.469,1294 1.175,1295 1.105,1296 1.218,1297 1.369,1298 0.516,1299 1.448,1300 4.344,1302 5.707,1303 3.045,1304 7.263,1305 5.209,1306 8.915,1307 7.14,1308 10.622,1310 3.317,1314 10.658,1315 0.072,1318 5.295,1321 1.35,1326 37.72,1327 99.529,1328 212.26,1329 263.254,1330 293.254,1331 295.254,1332 295.254,1333 73.098,1334 7.997,1335 105.51,1336 170.37,1337 28,1338 13.008,1339 4.858,1340 4,1341 49.519,1342 126,1343 156,1344 0.182,1345 238.781,1346 395.81,1347 574.385,1348 31973,1350 23.872,1351 0.702,1352 0.61,1353 24.829,1354 20.745,1355 16.363,1356 0.431,1357 0.351,1358 10.388,1359 14.042,1360 9.815,1361 8.131,1362 18.105,1363 13.326,1364 15.392,1365 0.275,1366 0.199,1367 17.748,1368 11.161,1369 13.287,1370 0.173,1371 0.115,1372 15.782,1373 8.886,1374 11.263,1375 0.108,1376 0.067,1377 13.985,1378 6.954,1379 8.857,1380 0.068,1381 0.038,1382 11.277,1383 4.937,1384 0.277,1385 120.165,1386 0.199,1387 30.655,1388 0.526,1389 188,1390 598.518,1391 286.478,1392 639.936,1393 872.1,1394 592,1395 227,1396 586.13,1397 331.486,1398 667.349,1399 971.95,1400 622,1401 6.298}
{0 CHEMBL1497295,1 1.68,2 7.619,3 4.436,4 19.676,5 84.609,6 9.673,7 0.696,8 3.614,9 3.709,10 3.404,11 3.276,12 4.785,13 3.25,14 4.096,15 4.215,16 3.771,17 3.658,18 5.271,19 3.61,20 4.319,21 4.482,22 3.882,23 3.734,24 5.542,25 3.681,26 4.303,27 4.464,28 3.795,29 3.744,30 5.466,31 3.68,32 4.375,33 4.536,34 3.894,35 3.77,36 5.635,37 3.7,38 4.424,39 4.612,40 3.866,41 3.764,42 5.621,43 3.646,44 4.235,45 4.448,46 3.636,47 3.529,48 5.419,49 3.361,50 3.823,51 4.055,52 3.363,53 3.08,54 4.931,55 2.846,56 0.048,57 0.433,58 3.662,59 2.474,60 5.201,61 2.938,62 0.157,63 0.688,64 9.652,65 4.397,66 12.771,67 5.241,68 0.37,69 0.863,70 15.884,71 5.756,72 36.942,73 6.453,74 0.2,75 0.846,76 13.714,77 5.757,78 18.365,79 6.772,80 0.297,81 0.866,82 13.924,83 6.415,84 33.268,85 7.442,86 0.368,87 0.858,88 21.698,89 7.494,90 45.395,91 8.621,92 0.351,93 0.67,94 22.698,95 6.979,96 47.169,97 8.436,98 0.307,99 0.402,100 23.536,101 5.134,102 32.901,103 6.287,104 12,105 32,106 0.308,107 0.61,108 0.746,109 0.857,110 0.868,111 0.868,112 3.105,113 0.955,114 -4.95,115 -4.85,116 -4.55,120 48.5,126 1,143 8,144 1,145 3,152 1,153 1,159 1,174 6,176 1,177 3,182 2,185 8,189 5,192 1,194 2,197 6,201 5,206 1,209 2,214 5,217 1,219 2,222 7,227 2,232 3,235 9,240 2,247 9,257 1,260 5,271 2,274 587,275 14.353,276 14.353,277 14.353,278 14.353,279 14.353,280 12.339,281 13.323,282 8.43,283 14.68,284 11.27,285 11.27,286 11.27,287 11.27,288 11.27,289 8.247,290 16.871,291 3.887,292 11.899,293 3.364,294 1.713,295 0.97,296 0.364,297 0.303,298 0.303,299 3.782,300 1,303 1,306 1,307 1,308 342,309 3.082,312 43.122,313 119.387,316 81.371,320 1.066,321 18.825,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 44.667,333 160,334 4.607,335 3.825,336 6.933,337 4.21,338 3.25,339 4.503,340 2.115,341 11.681,342 3.12,343 4.165,344 3.114,345 6.248,346 3.76,347 2.791,348 3.713,349 0.707,350 9.247,351 2.695,352 3.784,353 2.933,354 5.248,355 3.326,356 2.4,357 3.169,358 0.176,359 6.464,360 2.202,361 3.295,362 2.596,363 4.999,364 2.862,365 1.903,366 2.571,368 5.459,369 1.807,370 3.247,371 1.944,372 4.844,373 2.772,374 1.814,375 2.489,377 5.206,378 1.65,379 3.045,380 1.892,381 4.212,382 2.518,383 1.546,384 2.318,386 3.727,387 1.5,388 2.635,389 1.546,390 3.638,391 2.148,392 1.168,393 1.692,395 2.782,396 1.137,397 2.5,398 1.262,399 3.459,400 2,401 1,402 1.5,404 2.275,405 1,406 2.145,407 1,408 3.414,409 1.668,410 0.753,411 1.003,413 1.745,414 0.667,415 1.657,416 0.93,417 3.037,418 1.245,419 0.391,420 0.482,422 0.795,423 0.289,424 1.438,425 0.51,426 2.379,427 0.855,428 0.052,429 0.066,431 0.086,432 0.034,433 0.962,434 0.261,435 2.264,436 0.472,437 -0.397,438 -0.509,440 -0.917,441 -0.285,442 0.667,443 -0.218,444 2,445 0.16,446 -0.829,447 -1.215,449 -2.009,450 -0.799,451 0.537,452 -0.768,453 2,454 0.042,455 -0.929,456 -1.309,458 -2.301,459 -0.873,460 0.5,461 -0.853,462 2,464 -1,465 -1.5,467 -2.917,468 -1,469 10.562,470 0.503,471 0.469,472 0.022,473 29.5,474 1.405,475 16,476 0.762,477 13.5,478 0.643,479 14.47,480 0.689,481 21.238,482 0.644,483 19.996,484 0.952,485 5.879,486 0.28,487 4.324,488 0.206,489 0.167,491 0.322,496 0.633,497 1.175,498 0.503,499 0.763,500 0.543,501 0.748,502 0.742,503 1.245,504 0.795,505 0.973,506 0.668,507 0.945,508 0.941,509 0.967,510 0.799,511 0.894,512 0.943,513 0.892,514 0.932,515 1.119,516 0.778,517 0.976,518 0.831,519 0.986,520 0.977,521 1.083,522 0.675,523 0.942,524 1.291,525 0.985,526 1.234,527 0.929,528 1.064,529 0.985,530 1.373,531 1.036,532 1.049,533 0.902,534 1.246,535 1.095,536 1.047,537 1.102,538 1.04,539 0.787,540 1.567,541 1.21,542 0.919,543 1.171,544 3.5,545 0.012,546 2.667,547 1.694,548 1.159,549 0.785,550 0.492,551 0.26,552 0.133,553 0.03,554 3826,555 13662,556 2.074,557 36.4,559 10,560 1,562 1,567 1.64,568 1.938,569 2.902,570 -0.291,572 1,575 55.445,576 1.68,577 3.331,578 4.075,579 4.681,580 4.741,581 4.741,582 2.367,583 4.202,584 4.364,585 3.013,586 632.76,587 7.521,588 6550.93,590 1,592 1,593 166.465,594 1.418,595 4.322,596 0.152,597 0.012,598 0.083,599 0.051,600 0.036,601 0.025,602 0.018,603 0.014,604 0.015,605 0.01,606 0.417,607 0.67,608 1,609 1.029,610 92.363,611 -0.052,612 -0.103,613 0.003,614 -0.005,615 -0.067,616 0.015,617 -0.004,618 -0.195,619 -0.103,620 -0.152,621 -0.056,622 -0.127,623 0.029,624 0.109,625 -0.032,626 -0.016,627 0.026,628 -0.015,629 -0.117,630 -0.08,631 -0.081,632 -0.105,633 -0.014,634 -0.097,635 0.019,636 -0.094,637 0.036,638 -0.037,639 -0.023,640 -0.071,641 -0.135,642 0.013,643 -0.041,644 0.023,645 -0.133,646 -0.033,647 0.022,648 -0.036,649 0.005,650 0.008,651 0.04,652 0.005,653 0.128,654 0.017,655 0.114,656 0.016,657 0.006,658 0.039,659 1.858,660 5.287,661 0.714,662 13.379,663 1.015,664 1.109,665 3.717,666 13.814,667 0.75,668 3.178,669 3.497,670 3.807,671 4.094,672 4.304,673 4.344,674 4.454,675 4.454,676 4.277,677 4.205,678 4.646,679 0.714,680 319.2,681 3.178,682 4.71,683 5.572,684 6.46,685 7.347,686 8.244,687 9.14,688 10.041,689 10.94,690 11.843,691 6.1,698 1,699 1,708 2,709 9,711 1,714 3,716 16,737 1,738 33,739 17,740 2,741 23,743 35,744 16,745 14,746 4,747 8,750 1,752 3,753 4,754 2,759 1,768 15,769 1,772 1,778 1,782 1,786 1,789 12,790 2,791 1,792 5,793 2,797 2,803 0.667,804 1,818 1,822 1,823 2,826 1,839 1,855 2,860 2,862 21,869 1,875 1,885 2,886 3,889 1,893 10.833,894 5.902,895 4.722,896 1.834,898 2.959,899 1.444,900 1.016,901 4.082,902 9.618,903 3.497,904 4.123,905 4.748,906 5.376,907 5.899,908 6.174,909 6.606,910 6.966,911 7.036,912 7.346,913 1,914 33,915 7.719,917 3.281,918 7.844,919 14.532,921 11.824,924 2.344,925 49.222,929 129.482,930 106.143,931 19.91,932 78.297,933 25.145,936 106.143,937 232.924,938 19.91,940 5.974,941 84.857,942 29.85,943 28.373,944 13.915,945 156.86,946 39.149,947 129.482,948 126.053,949 25.145,950 78.297,952 129.482,953 25.145,956 22.759,957 103.293,958 78.297,960 129.482,961 45.055,962 184.44,965 129.482,966 21.285,967 87.982,968 16.786,969 103.442,970 129.482,971 45.055,972 184.44,973 0.576,974 0.35,975 0.196,976 0.111,977 16,978 7,979 0.057,980 2,981 1,982 1.133,983 3.236,984 166.377,985 0.133,986 15,987 88.239,993 14.295,994 5.997,995 2.735,996 1.93,997 28.269,998 16.715,1000 3.166,1003 2.129,1005 16.786,1006 358.977,1007 32,1013 12.287,1017 -0.191,1020 33.48,1021 36.585,1022 0.333,1023 0.66,1024 0.808,1025 0.928,1026 0.94,1027 0.94,1028 4.71,1029 1,1030 5.557,1031 2.782,1032 4.174,1033 4.808,1034 2.283,1035 6.399,1036 4.075,1037 5.927,1038 0.753,1039 7.133,1040 2.275,1041 3.761,1042 4.605,1043 1.668,1044 7.405,1045 3.596,1046 7.241,1047 0.391,1048 8.816,1049 1.745,1050 5.784,1051 7.06,1052 3.394,1053 10.548,1054 5.603,1055 8.595,1056 0.052,1057 10.564,1058 0.795,1059 6.236,1060 7.727,1061 3.395,1062 12.438,1063 5.991,1064 9.984,1065 -0.397,1066 12.356,1067 0.086,1068 7.716,1069 9.628,1070 4.725,1071 15.107,1072 7.459,1073 11.398,1074 -0.829,1075 14.179,1076 -0.917,1077 8.561,1078 10.718,1079 5.033,1080 17.337,1081 8.248,1082 12.831,1083 -0.929,1084 16.024,1085 -2.009,1086 9.834,1087 12.387,1088 6.135,1089 19.857,1090 9.501,1091 3.25,1092 -1,1093 17.887,1094 -2.301,1095 10.857,1096 13.688,1097 6.614,1098 22.218,1099 10.474,1100 2.791,1101 11.681,1102 19.762,1103 -2.917,1104 12.054,1105 15.255,1106 7.579,1107 24.689,1108 11.644,1109 2.4,1110 9.247,1111 21.648,1112 4.503,1113 13.156,1114 16.659,1115 8.161,1116 27.104,1117 12.7,1118 1.903,1119 6.464,1120 23.542,1121 3.713,1122 14.328,1123 18.184,1124 9.043,1125 29.561,1126 13.839,1127 1.814,1128 5.459,1129 25.442,1130 3.169,1131 15.466,1132 19.638,1133 9.688,1134 31.997,1135 14.933,1136 1.546,1137 5.206,1138 27.347,1139 2.571,1140 16.632,1141 21.146,1142 10.52,1143 34.451,1144 16.062,1145 1.168,1146 3.727,1147 29.257,1148 2.489,1149 17.787,1150 22.624,1151 11.204,1152 36.897,1153 17.174,1154 3792,1155 7246,1156 15.315,1157 24.75,1158 34.43,1159 36.026,1160 36.409,1161 34.322,1162 34.135,1163 47.013,1164 5.995,1165 98.933,1166 32.203,1167 5.411,1168 5.825,1169 6.614,1170 5.255,1171 5.25,1172 7.503,1173 3.784,1174 19.121,1175 5.12,1176 9.569,1177 1.497,1178 1.566,1179 1.583,1180 1.492,1181 1.484,1182 2.044,1183 0.261,1184 4.301,1185 1.4,1186 4.132,1187 4.167,1188 4.108,1189 4.04,1190 7.427,1191 4.048,1192 3.887,1193 3.913,1194 3.969,1195 3.828,1196 4.993,1197 3.821,1198 3.542,1199 3.566,1200 3.792,1201 3.381,1202 4.917,1203 3.39,1204 3.364,1205 3.421,1206 3.411,1207 3.216,1208 4.659,1209 3.215,1210 2.986,1211 3.042,1212 3.245,1213 2.851,1214 4.355,1215 2.844,1216 2.854,1217 2.925,1218 2.972,1219 2.759,1220 4.266,1221 2.74,1222 2.844,1223 2.886,1224 2.774,1225 2.735,1226 3.775,1227 2.715,1228 2.516,1229 2.545,1230 2.687,1231 2.297,1232 3.674,1233 2.287,1234 0.2,1235 0.166,1236 0.301,1237 0.183,1238 0.141,1239 4.607,1240 0.196,1241 3.825,1242 0.092,1243 6.933,1244 0.508,1245 4.21,1246 0.136,1247 3.25,1248 4.503,1249 2.115,1250 11.681,1251 3.12,1252 1.946,1253 1.922,1254 2.032,1255 2.031,1256 1.162,1257 2.033,1258 1.871,1259 1.846,1260 1.963,1261 1.968,1262 1.062,1263 1.972,1264 1.533,1265 1.492,1266 1.646,1267 1.726,1268 0.77,1269 1.715,1270 1.333,1271 1.289,1272 1.498,1273 1.56,1274 0.627,1275 1.558,1276 1.016,1277 0.965,1278 1.191,1279 1.184,1280 0.305,1281 1.199,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.809,1289 0.775,1290 1.072,1291 0.969,1292 0.13,1293 1.008,1294 0.743,1295 0.678,1296 0.93,1297 0.9,1298 0.074,1299 0.933,1300 3.85,1302 5.165,1303 2.398,1304 6.688,1305 4.727,1306 8.306,1307 6.843,1308 9.973,1311 11.683,1315 -0.095,1321 1.599,1326 23.573,1327 55.445,1328 109.936,1329 134.465,1330 154.465,1331 156.465,1332 156.465,1333 31.275,1334 6.659,1335 36.1,1336 36.1,1337 17,1338 12.364,1339 4.17,1340 3.322,1341 31.834,1342 55,1343 65,1344 0.28,1345 152.899,1346 255.67,1347 364.834,1348 5603,1349 6.1,1350 14.82,1351 0.706,1352 0.597,1353 15.82,1354 12.527,1355 10.203,1356 0.444,1357 0.318,1358 6.429,1359 9.358,1360 6.207,1361 5.113,1362 10.845,1363 7.323,1364 8.932,1365 0.279,1366 0.164,1367 9.545,1368 5.262,1369 7.789,1370 0.177,1371 0.085,1372 8.4,1373 3.737,1374 6.436,1375 0.109,1376 0.043,1377 6.739,1378 2.554,1379 5.294,1380 0.073,1381 0.024,1382 5.692,1383 1.778,1384 0.415,1385 69.812,1386 0.256,1387 20.24,1388 0.845,1389 110,1390 330.12,1391 144.151,1392 381.475,1393 501.45,1394 356,1395 131,1396 322.128,1397 157.055,1398 342.826,1399 504.41,1400 323,1401 5.566}
{0 CHEMBL1497427,1 1.552,2 11.514,3 5.733,4 32.865,5 136.706,6 7.114,7 0.538,8 4.309,9 4.434,10 3.846,11 3.794,12 5.371,13 3.778,14 4.874,15 5.06,16 4.193,17 4.201,18 5.839,19 4.159,20 5.136,21 5.365,22 4.237,23 4.353,24 5.994,25 4.272,26 5.261,27 5.505,28 4.299,29 4.428,30 6.146,31 4.34,32 5.339,33 5.587,34 4.396,35 4.518,36 6.219,37 4.432,38 5.439,39 5.683,40 4.437,41 4.589,42 6.341,43 4.496,44 5.496,45 5.754,46 4.415,47 4.575,48 6.438,49 4.475,50 5.417,51 5.666,52 4.299,53 4.513,54 6.361,55 4.405,56 0.101,57 1.018,58 14.991,59 6.242,60 15.472,61 8.365,62 0.319,63 1.629,64 28.509,65 10.1,66 31.476,67 14.361,68 0.451,69 1.975,70 38.582,71 12.797,72 39.143,73 18.959,74 0.617,75 2.217,76 44.363,77 13.613,78 55.136,79 20.833,80 0.591,81 2.385,82 47.947,83 15.005,84 59.182,85 23.071,86 0.566,87 2.616,88 52.957,89 16.224,90 63.139,91 24.992,92 1.019,93 2.623,94 57.943,95 16.707,96 97.268,97 25.718,98 0.84,99 2.382,100 53.279,101 16.373,102 91.662,103 24.2,104 14,105 54,106 0.244,107 0.573,108 0.761,109 0.854,110 0.867,111 0.867,112 3.589,113 0.951,114 -4.99,115 -4.89,116 -4.59,120 38.8,121 1,122 6,125 1,126 2,128 2,143 6,144 2,145 1,147 1,148 1,152 1,153 1,162 1,167 3,174 10,176 3,177 11,180 1,182 1,185 8,188 3,189 12,194 1,197 6,200 4,201 9,204 1,206 2,209 7,213 3,214 13,219 2,222 11,226 1,227 20,232 3,235 11,239 3,240 16,243 3,245 3,247 10,251 2,252 10,255 2,257 1,260 11,264 10,271 13,274 2473,275 24.325,276 24.325,277 24.325,278 24.325,279 24.325,280 21.815,281 26.434,282 14.424,283 24.786,284 19.173,285 19.173,286 19.173,287 19.173,288 19.173,289 15.39,290 39.584,291 6.713,292 19.882,293 4.515,294 2.429,295 1.236,296 0.642,297 0.56,298 0.56,299 4.295,307 1,308 884,309 3.808,312 200.197,313 320.22,317 170.158,320 1.587,321 29.291,324 1,325 0.67,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.83,332 76,333 403,334 4.506,335 3.499,336 6.8,337 4.141,338 3.194,339 4.43,340 0.995,341 11.23,342 3.027,343 4.378,344 3.171,345 6.34,346 4.001,347 3.032,348 3.934,349 0.86,350 9.747,351 2.934,352 4.003,353 2.978,354 6.135,355 3.726,356 2.77,357 3.471,358 0.522,359 8.99,360 2.653,361 3.899,362 2.825,363 5.811,364 3.506,365 2.542,366 3.444,367 0.359,368 7.897,369 2.462,370 3.766,371 2.637,372 5.425,373 3.446,374 2.462,375 2.946,377 7.096,378 2.407,379 3.505,380 2.415,381 5.214,382 3.101,383 2.154,384 2.817,386 6.448,387 2.034,388 3.191,389 2.153,390 5.086,391 3.018,392 2.044,393 2.503,395 5.813,396 1.98,397 3.154,398 1.927,399 4.652,400 2.697,401 1.739,402 2.207,404 4.955,405 1.661,406 2.742,407 1.644,408 4.312,409 2.516,410 1.536,411 1.82,413 3.852,414 1.503,415 2.624,416 1.423,417 3.874,418 2.308,419 1.325,420 1.647,422 2.978,423 1.302,424 2.451,425 1.34,426 3.708,427 2.125,428 1.159,429 1.433,431 2.884,432 1.114,433 2.445,434 1.102,435 3.466,436 2,437 1,438 1.427,440 2.359,441 1,442 2.218,443 1.068,444 3.362,445 1.983,446 1,447 1.16,449 2.219,450 0.981,451 2.118,452 1,453 3.331,454 1.886,455 0.916,456 1,458 2.136,459 0.886,460 2,461 0.995,462 3.247,463 1.733,464 0.761,465 0.927,467 1.652,468 0.738,469 16.4,470 0.469,471 0.687,472 0.02,473 41.75,474 1.193,475 19,476 0.543,477 22.75,478 0.65,479 37.156,480 1.062,481 38.8,482 0.579,483 32.821,484 0.938,485 7.86,486 0.225,487 9.296,488 0.266,489 0.081,491 0.323,496 0.792,497 1.289,498 0.813,499 1.199,500 0.789,501 1.045,502 0.924,503 1.165,504 0.889,505 1.061,506 0.6,507 0.985,508 0.902,509 1.1,510 0.947,511 1.02,512 0.722,513 0.994,514 0.894,515 1.047,516 1.009,517 0.996,518 0.943,519 1.005,520 0.806,521 1.055,522 0.914,523 0.961,524 0.787,525 0.942,526 0.963,527 1.183,528 1.033,529 1.077,530 1.185,531 1.056,532 1.065,533 0.944,534 1.047,535 0.917,536 1.315,537 0.96,538 1.221,539 0.925,540 1.122,541 0.98,542 1.448,543 1.027,544 6,545 0.197,546 3.556,547 2.097,548 2.079,549 1.323,550 0.915,551 0.674,552 0.483,553 0.283,554 17097,555 41834,556 2.141,557 47.8,558 9,559 15,560 1,562 1,564 6,567 1.776,568 2.039,569 3.451,570 -0.345,575 103.952,576 1.552,577 3.638,578 4.83,579 5.424,580 5.506,581 5.506,582 2.864,583 4.729,584 5.1,585 3.629,586 2159.35,587 9.005,588 32724.7,593 406.428,594 1.271,595 5.076,596 0.154,597 0.005,598 0.066,599 0.038,600 0.036,601 0.021,602 0.014,603 0.011,604 0.009,605 0.006,606 0.36,607 0.17,608 0.75,609 0.686,610 186.042,611 0.089,612 -0.033,613 0.081,614 -0.064,615 0.066,616 -0.011,617 0.037,618 -0.028,619 0.055,620 -0.012,621 0.137,622 0.014,623 -0.013,624 -0.049,625 0.013,626 -0.011,627 0.031,629 -0.001,630 0.012,631 -0.036,632 -0.03,633 -0.011,634 -0.036,635 0.027,636 -0.014,637 0.052,638 0.02,639 0.058,640 0.041,641 -0.077,642 -0.141,643 -0.062,644 -0.103,645 -0.105,646 -0.08,647 -0.001,648 0.053,649 -0.041,650 0.02,651 -0.038,652 -0.009,653 -0.105,654 0.055,655 -0.119,656 -0.015,657 -0.11,658 -0.061,659 1.603,660 4.866,661 0.743,662 33.781,663 1.001,664 1.135,665 3.761,666 14.144,667 0.646,668 3.689,669 4.007,670 4.317,671 4.605,672 4.82,673 4.934,674 5.088,675 5.215,676 5.328,677 5.352,678 6.899,679 0.614,680 476.64,681 3.689,682 5.231,683 6.094,684 6.976,685 7.857,686 8.747,687 9.636,688 10.528,689 11.421,690 12.315,691 9,694 1,699 1,701 4,708 2,709 7,710 4,712 1,714 5,715 1,716 21,734 1,735 1,738 67,739 21,740 1,741 39,743 71,744 26,745 14,746 3,747 3,752 5,753 6,759 1,763 6,766 8,768 14,769 12,788 1,789 32,790 8,791 1,792 9,797 6,803 0.8,804 3,816 1,822 2,823 3,827 1,851 1,855 4,859 2,862 35,868 1,869 8,872 1,874 2,875 1,886 4.5,888 1,891 2,893 17.167,894 12.483,895 7.833,896 4.384,898 3.633,899 1.455,900 0.956,901 7.424,902 11.614,903 3.922,904 4.511,905 5.097,906 5.679,907 6.128,908 6.47,909 6.859,910 7.235,911 7.573,912 7.611,913 0.875,914 55,915 12.964,917 5.505,918 7.595,919 25.251,921 21.079,924 2.095,925 73.333,929 364.904,930 128.647,931 71.43,933 63.191,936 128.647,937 428.095,938 71.43,939 19.708,940 19.419,941 68.597,942 111.541,943 38.554,944 17.22,945 353.133,947 364.904,948 200.077,949 63.191,952 294.278,953 133.817,956 37.617,957 95.931,958 66.53,960 364.904,961 134.621,962 128.647,965 364.904,966 40.341,967 93.206,969 129.72,970 364.904,971 134.621,972 128.647,973 0.572,974 0.348,975 0.197,976 0.106,977 26,978 11,979 0.127,980 9,981 1,982 1.077,983 4.451,984 348.712,985 0.077,986 26,987 175.525,993 23.927,994 10.86,995 5.251,996 1.683,997 132.844,998 13.165,999 17.192,1001 5.542,1003 3.24,1004 1.826,1005 42.683,1006 628.172,1007 49.5,1020 67.08,1021 76.016,1022 0.256,1023 0.6,1024 0.796,1025 0.894,1026 0.908,1027 0.908,1028 5.16,1029 1.739,1030 6.066,1031 5.813,1032 4.691,1033 5.198,1034 1.624,1035 6.884,1036 4.619,1037 6.345,1038 1.536,1039 7.624,1040 4.955,1041 4.205,1042 4.945,1043 0.325,1044 7.789,1045 4.068,1046 7.645,1047 1.325,1048 9.283,1049 3.852,1050 6.286,1051 7.382,1052 1.307,1053 10.913,1054 6.136,1055 8.981,1056 1.159,1057 11.004,1058 2.978,1059 6.673,1060 8.02,1061 0.504,1062 12.665,1063 6.451,1064 10.352,1065 1,1066 12.765,1067 2.884,1068 8.167,1069 9.875,1070 1.117,1071 15.295,1072 7.93,1073 11.746,1074 1,1075 14.553,1076 2.359,1077 8.949,1078 10.927,1079 0.585,1080 17.399,1081 8.642,1082 13.157,1083 0.916,1084 16.361,1085 2.219,1086 10.215,1087 12.55,1088 0.992,1089 19.867,1090 9.884,1091 3.194,1092 0.761,1093 18.183,1094 2.136,1095 11.182,1096 13.808,1097 0.622,1098 22.127,1099 10.787,1100 3.032,1101 11.23,1102 20.017,1103 1.652,1104 12.359,1105 15.335,1106 0.902,1107 24.541,1108 11.93,1109 2.77,1110 9.747,1111 21.86,1112 4.43,1113 13.413,1114 16.697,1115 0.639,1116 26.873,1117 12.925,1118 2.542,1119 8.99,1120 23.711,1121 3.934,1122 14.558,1123 18.185,1124 0.836,1125 29.273,1126 14.028,1127 2.462,1128 7.897,1129 25.569,1130 3.471,1131 15.654,1132 19.601,1133 0.646,1134 31.641,1135 15.069,1136 2.154,1137 7.096,1138 27.432,1139 3.444,1140 16.789,1141 21.077,1142 0.787,1143 34.039,1144 16.159,1145 2.044,1146 6.448,1147 29.301,1148 2.946,1149 17.906,1150 22.521,1151 0.648,1152 36.426,1153 17.223,1154 15998,1155 25252,1156 26.641,1157 43.296,1158 58.086,1159 58.134,1160 59.366,1161 57.783,1162 57.737,1163 73.402,1164 5.47,1165 165.368,1166 55.674,1167 5.506,1168 5.499,1169 6.602,1170 5.188,1171 5.194,1172 7.43,1173 1.855,1174 18.646,1175 5.027,1176 13.626,1177 1.489,1178 1.491,1179 1.522,1180 1.482,1181 1.48,1182 1.882,1183 0.14,1184 4.24,1185 1.428,1186 4.095,1187 4.129,1188 4.056,1189 4.007,1190 6.475,1191 4.015,1192 3.987,1193 4.035,1194 3.944,1195 3.81,1196 5.223,1197 3.827,1198 3.875,1199 3.92,1200 3.781,1201 3.736,1202 5.052,1203 3.74,1204 3.767,1205 3.815,1206 3.685,1207 3.58,1208 4.955,1209 3.594,1210 3.579,1211 3.626,1212 3.503,1213 3.431,1214 4.582,1215 3.443,1216 3.469,1217 3.541,1218 3.325,1219 3.232,1220 4.336,1221 3.25,1222 3.263,1223 3.339,1224 3.089,1225 3.032,1226 4.108,1227 3.035,1228 3.151,1229 3.228,1230 2.96,1231 2.941,1232 4.031,1233 2.934,1234 0.116,1235 0.09,1236 0.174,1237 0.106,1238 0.082,1239 4.506,1240 0.114,1241 3.499,1242 0.026,1243 6.8,1244 0.288,1245 4.141,1246 0.078,1247 3.194,1248 4.43,1249 0.995,1250 11.23,1251 3.027,1252 2.034,1253 2.014,1254 2.12,1255 2.133,1256 1.498,1257 2.128,1258 1.888,1259 1.833,1260 2.079,1261 2.042,1262 1.261,1263 2.057,1264 1.715,1265 1.658,1266 1.92,1267 1.91,1268 1.193,1269 1.91,1270 1.573,1271 1.53,1272 1.755,1273 1.769,1274 0.957,1275 1.766,1276 1.504,1277 1.465,1278 1.697,1279 1.682,1280 0.908,1281 1.687,1282 1.389,1283 1.351,1284 1.586,1285 1.586,1286 0.825,1287 1.59,1288 1.233,1289 1.158,1290 1.564,1291 1.512,1292 0.753,1293 1.532,1294 1.154,1295 1.08,1296 1.513,1297 1.414,1298 0.619,1299 1.429,1300 4.369,1302 5.687,1303 3.045,1304 7.2,1305 5.209,1306 8.804,1307 7.125,1308 10.46,1310 3.815,1314 10.866,1315 7.778,1318 5.396,1320 0.367,1321 2.465,1326 41.121,1327 103.952,1328 243.718,1329 323.634,1330 363.408,1331 368.918,1332 368.918,1333 59.425,1334 7.981,1335 102.33,1336 102.33,1337 28,1338 12.842,1339 4.459,1340 3.524,1341 51.725,1342 137,1343 164,1344 0.173,1345 249.612,1346 421.57,1347 600.814,1348 32198,1350 24.2,1351 0.691,1352 0.58,1353 24.2,1354 20.3,1355 17.157,1356 0.44,1357 0.317,1358 12.173,1359 16.356,1360 11.904,1361 9.888,1362 17.157,1363 12.367,1364 14.927,1365 0.276,1366 0.17,1367 14.927,1368 9.192,1369 13.141,1370 0.178,1371 0.095,1372 13.141,1373 7.005,1374 11.161,1375 0.113,1376 0.053,1377 11.161,1378 5.213,1379 8.815,1380 0.072,1381 0.03,1382 8.815,1383 3.729,1384 0.266,1385 108.469,1386 0.194,1387 31.653,1388 0.493,1389 186,1390 527.491,1391 206.847,1392 503.544,1393 700.45,1394 474,1395 221,1396 538.03,1397 243.766,1398 537.07,1399 781.36,1400 504,1401 4.969}
{0 CHEMBL1497463,1 1.803,2 13.281,3 4.334,4 18.785,5 114.814,6 9.306,7 0.529,8 3.991,9 4.085,10 3.716,11 3.495,12 5.403,13 3.529,14 4.434,15 4.534,16 4.072,17 3.87,18 6.075,19 3.897,20 4.684,21 4.828,22 4.16,23 3.991,24 6.075,25 4.013,26 4.843,27 5.019,28 4.177,29 3.938,30 6.296,31 3.975,32 4.756,33 4.912,34 4.231,35 3.859,36 6.321,37 3.932,38 4.694,39 4.779,40 4.247,41 3.817,42 6.882,43 3.903,44 4.567,45 4.743,46 3.769,47 3.718,48 5.976,49 3.709,50 4.392,51 4.574,52 3.609,53 3.491,54 5.785,55 3.5,56 0.373,57 0.723,58 5.628,59 3.586,60 27.976,61 3.744,62 0.65,63 1.065,64 10.021,65 6.202,66 124.887,67 6.602,68 0.696,69 1.341,70 14.648,71 7.483,72 85.779,73 8.024,74 1.205,75 1.383,76 23.722,77 8.292,78 170.978,79 9.127,80 1.236,81 1.218,82 22.156,83 7.498,84 168.494,85 8.406,86 1.668,87 1.101,88 16.746,89 6.742,90 345.08,91 6.177,92 0.886,93 1.009,94 18.411,95 7.122,96 142.311,97 7.679,98 0.794,99 0.827,100 16.712,101 5.851,102 144.257,103 6.464,104 74,105 48,106 0.299,107 0.53,108 0.646,109 0.752,110 0.785,111 0.785,112 3.502,113 0.796,114 -5.03,115 -4.93,116 -4.62,120 42.6,121 1,143 10,144 2,145 6,159 1,167 6,174 9,176 3,177 5,180 1,182 5,185 11,189 10,192 2,194 8,197 6,200 3,201 6,204 4,206 4,209 2,213 12,214 10,217 1,219 1,222 10,226 12,227 13,230 3,231 1,235 13,240 13,247 9,252 10,257 2,260 4,263 2,264 7,267 2,269 4,271 2,274 1772,275 20.723,276 20.723,277 20.723,278 20.723,279 20.723,280 17.495,281 30.203,282 11.998,283 20.97,284 16.724,285 16.724,286 16.724,287 16.724,288 16.724,289 11.889,290 45.45,291 5.673,292 17.091,293 3.751,294 2.361,295 1.665,296 1.027,297 0.825,298 0.825,299 4.177,306 1,307 1,308 884,309 4.243,313 361.567,320 2.059,321 62.131,324 0.75,325 0.83,326 0.83,327 0.3,329 0.67,330 0.5,331 0.55,332 73.5,333 425,334 4.611,335 3.887,336 6.774,337 4.168,338 3.2,339 4.4,340 2.612,341 11.094,342 3.096,343 4.215,344 3.752,345 6.06,346 3.856,347 2.858,348 3.79,349 2.612,350 8.732,351 2.847,352 4.09,353 3.743,354 5.87,355 3.584,356 2.611,357 3.691,358 2.612,359 8.009,360 2.555,361 4.04,362 3.572,363 5.859,364 3.534,365 2.555,366 3.639,367 1.058,368 7.772,369 2.483,370 3.99,371 2.866,372 5.419,373 3.453,374 2.491,375 3.6,376 0.4,377 7.164,378 2.393,379 3.718,380 2.7,381 5.309,382 3.316,383 2.335,384 3.081,386 6.771,387 2.283,388 3.401,389 2.474,390 4.894,391 3.022,392 2.04,393 2.706,395 5.692,396 2,397 3.328,398 2.254,399 4.628,400 2.623,401 1.643,402 2.628,404 4.298,405 1.607,406 2.936,407 1.969,408 4.046,409 2.309,410 1.302,411 2.041,413 3.351,414 1.304,415 2.757,416 1.774,417 3.878,418 2.2,419 1.198,420 1.768,422 3.014,423 1.197,424 2.69,425 1.61,426 3.71,427 2,428 1,429 1.667,431 2.501,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.414,445 2,446 1,447 1.5,449 2.275,450 1,451 1.599,452 1,453 3.067,454 1.232,455 0.273,456 0.345,458 0.726,459 0.261,460 1.4,461 1,462 2.716,463 1.061,464 0.068,465 0.085,467 0.154,468 0.067,469 14.333,470 0.448,471 1.021,472 0.032,473 50,474 1.563,475 29.5,476 0.922,477 20.5,478 0.641,479 19.743,480 0.617,481 34.267,482 0.729,483 44.295,484 1.384,485 10.143,486 0.317,487 5.008,488 0.157,489 0.198,491 0.398,496 0.338,497 0.975,498 0.579,499 0.819,500 0.51,501 0.807,502 0.43,503 1.263,504 0.632,505 1.12,506 0.384,507 1.008,508 0.724,509 1.322,510 0.902,511 1.277,512 0.585,513 1.182,514 0.999,515 0.996,516 1.004,517 1.012,518 1.004,519 1.006,520 0.902,521 0.815,522 0.748,523 0.818,524 1.147,525 0.758,526 0.762,527 0.845,528 0.948,529 0.942,530 0.722,531 0.997,532 1.072,533 0.988,534 1.149,535 1.084,536 1.029,537 1.135,538 1.145,539 1.037,540 1.06,541 1.005,542 1.138,543 1.01,544 8,545 0.206,546 4,547 2,548 2.529,549 2.049,550 0.566,551 0.559,552 0.41,553 0.251,554 13704,555 54634,556 1.958,557 31.9,558 3,559 10,562 2,567 1.743,568 1.778,569 3.588,570 0.332,572 1,575 84.763,576 1.803,577 3.194,578 3.89,579 4.528,580 4.73,581 4.73,582 3.018,583 4.188,584 4.969,585 3.831,586 1900.38,587 8.686,588 28264.3,590 1,592 1,593 261.066,594 1.561,595 4.895,596 0.235,597 0.008,598 0.083,599 0.039,600 0.052,601 0.039,602 0.011,603 0.017,604 0.015,605 0.009,606 0.509,607 0.17,608 0.88,609 0.976,610 169.405,611 0.261,612 0.232,613 0.043,614 0.178,615 -0.006,616 0.045,617 0.239,618 -0.171,619 0.088,620 -0.072,621 0.254,622 -0.064,623 -0.056,624 -0.238,625 -0.082,626 -0.282,627 0.006,628 -0.213,629 -0.075,630 -0.012,631 0.024,632 -0.055,633 -0.117,634 0.002,635 0.138,636 0.156,637 0.284,638 0.138,639 -0.11,640 0.221,641 0.51,642 0.131,643 -0.027,644 0.012,645 0.637,646 -0.156,647 -0.182,648 -0.07,649 -0.109,650 -0.053,651 -0.144,652 -0.048,653 -0.192,654 -0.148,655 0.035,656 0.016,657 -0.172,658 0.089,659 2.953,660 5.383,661 0.563,662 35.711,663 1.047,664 1.128,665 3.804,666 14.469,667 0.681,668 3.555,669 3.892,670 4.111,671 4.331,672 4.615,673 4.663,674 4.654,675 4.71,676 4.727,677 4.796,678 7.661,679 0.697,680 437.4,681 3.555,682 5.106,683 5.943,684 6.819,685 7.682,686 8.561,687 9.433,688 10.314,689 11.189,690 12.072,691 10.6,698 1,699 1,702 3,709 10,714 8,716 18,723 1,729 1,731 3,738 47,739 25,740 3,741 34,743 49,744 20,745 18,746 8,747 10,748 1,752 3,753 3,759 1,768 19,769 1,772 7,775 3,778 7,782 1,786 1,789 15,790 9,791 2,792 12,797 5,803 1,804 7,823 3,855 3,859 1,862 32,871 2,886 14.9,889 1,892 6,893 18,894 8.85,895 7,896 2.524,898 3.619,899 1.482,900 0.953,901 6.663,902 11.133,903 3.932,904 4.57,905 5.061,906 5.598,907 6.193,908 6.492,909 6.713,910 7.013,911 7.187,912 7.597,913 0.889,914 51,915 11.895,917 5.318,918 8.531,919 20.782,921 16.419,924 3.031,925 97,928 1,929 153.024,930 131.204,931 53.032,933 177.386,936 131.204,937 330.41,938 53.032,939 25.835,940 18.011,941 94.762,942 29.85,943 40.922,945 153.024,946 152.241,947 153.024,948 184.236,949 177.386,952 153.024,953 25.145,954 152.241,956 44.847,957 122.379,958 17.01,960 153.024,961 230.417,962 131.204,965 153.024,966 27.616,967 120.598,968 36.022,969 177.386,970 153.024,971 230.417,972 131.204,973 0.591,974 0.334,975 0.169,976 0.106,977 21,978 12,979 0.143,980 7,982 1,983 4.15,984 283.064,986 18,987 133.245,993 22.655,994 9.411,995 5.378,997 213.407,998 14.102,1003 -0.827,1005 36.022,1006 514.646,1007 50,1010 -2.858,1013 79.793,1017 -0.396,1020 49.218,1021 53.033,1022 0.325,1023 0.575,1024 0.7,1025 0.815,1026 0.852,1027 0.852,1028 5.162,1029 1.643,1030 5.953,1031 5.692,1032 4.575,1033 5.257,1034 3.615,1035 6.76,1036 4.533,1037 6.408,1038 1.302,1039 7.522,1040 4.298,1041 4.29,1042 5.263,1043 3.395,1044 7.678,1045 4.221,1046 7.739,1047 1.198,1048 9.187,1049 3.351,1050 6.176,1051 7.5,1052 5.256,1053 10.739,1054 6.083,1055 9.1,1056 1,1057 10.906,1058 3.014,1059 6.635,1060 8.242,1061 5.598,1062 12.451,1063 6.512,1064 10.486,1065 1,1066 12.658,1067 2.501,1068 8.048,1069 10.006,1070 7.047,1071 15.061,1072 7.904,1073 11.89,1074 1,1075 14.435,1076 2.275,1077 8.842,1078 11.079,1079 7.654,1080 17.136,1081 8.667,1082 13.308,1083 0.273,1084 16.229,1085 2.275,1086 10.071,1087 12.66,1088 8.893,1089 19.592,1090 9.874,1091 3.2,1092 0.068,1093 18.039,1094 0.726,1095 11.031,1096 13.901,1097 9.647,1098 21.841,1099 10.801,1100 2.858,1101 11.094,1102 19.86,1103 0.154,1104 12.188,1105 15.403,1106 10.768,1107 24.25,1108 11.935,1109 2.611,1110 8.732,1111 21.691,1112 4.4,1113 13.233,1114 16.736,1115 11.607,1116 26.582,1117 12.947,1118 2.555,1119 8.009,1120 23.531,1121 3.79,1122 14.367,1123 18.205,1124 12.662,1125 28.979,1126 14.053,1127 2.491,1128 7.772,1129 25.379,1130 3.691,1131 15.457,1132 19.593,1133 13.551,1134 31.349,1135 15.11,1136 2.335,1137 7.164,1138 27.235,1139 3.639,1140 16.588,1141 21.051,1142 14.566,1143 33.747,1144 16.21,1145 2.04,1146 6.771,1147 29.096,1148 3.6,1149 17.704,1150 22.471,1151 15.485,1152 36.135,1153 17.291,1154 13564,1155 27458,1156 21.501,1157 32.017,1158 51.575,1159 54.979,1160 53.629,1161 51.158,1162 51.147,1163 72.884,1164 18.591,1165 147.656,1166 50.185,1167 5.445,1168 5.887,1169 6.188,1170 5.198,1171 5.2,1172 7.4,1173 4.612,1174 18.314,1175 5.096,1176 21.461,1177 1.517,1178 1.617,1179 1.577,1180 1.505,1181 1.504,1182 2.144,1183 0.547,1184 4.343,1185 1.476,1186 4.102,1187 4.127,1188 4.083,1189 3.947,1190 7.824,1191 3.967,1192 3.955,1193 3.984,1194 3.904,1195 3.86,1196 7.811,1197 3.866,1198 3.867,1199 3.895,1200 3.805,1201 3.798,1202 7.811,1203 3.798,1204 3.646,1205 3.664,1206 3.647,1207 3.193,1208 7.429,1209 3.275,1210 3.644,1211 3.662,1212 3.645,1213 3.132,1214 6.999,1215 3.252,1216 3.38,1217 3.427,1218 3.323,1219 3.116,1220 6.999,1221 3.176,1222 3.166,1223 3.215,1224 3.112,1225 2.935,1226 6.999,1227 2.944,1228 3.073,1229 3.106,1230 2.944,1231 2.735,1232 4.787,1233 2.731,1234 0.136,1235 0.114,1236 0.199,1237 0.123,1238 0.094,1239 4.611,1240 0.129,1241 3.887,1242 0.077,1243 6.774,1244 0.326,1245 4.168,1246 0.091,1247 3.2,1248 4.4,1249 2.612,1250 11.094,1251 3.096,1252 1.98,1253 1.955,1254 2.054,1255 2.182,1256 1.156,1257 2.123,1258 1.923,1259 1.895,1260 2.026,1261 2.033,1262 1.13,1263 2.033,1264 1.859,1265 1.835,1266 1.951,1267 1.956,1268 1.053,1269 1.962,1270 1.324,1271 1.29,1272 1.555,1273 1.835,1274 0.62,1275 1.675,1276 1.289,1277 1.265,1278 1.345,1279 1.833,1280 0.342,1281 1.674,1282 1.269,1283 1.223,1284 1.325,1285 1.548,1286 0.218,1287 1.536,1288 1.079,1289 1.029,1290 1.234,1291 1.365,1292 0.218,1293 1.339,1294 0.886,1295 0.821,1296 1.181,1297 1.267,1298 0.209,1299 1.192,1300 4.234,1302 5.565,1304 7.077,1306 8.675,1308 10.32,1310 1.914,1317 5.272,1326 32.745,1327 84.763,1328 150.098,1329 182.827,1330 212.801,1331 222.311,1332 222.311,1333 110.571,1334 7.514,1335 178.59,1336 178.59,1337 18,1338 12.607,1339 4.7,1340 4.087,1341 61.383,1342 148,1343 166,1344 0.203,1345 204.326,1346 366.99,1347 490.316,1348 18960,1350 23.413,1351 0.732,1352 0.515,1353 23.413,1354 16.473,1355 15.151,1356 0.446,1357 0.265,1358 8.839,1359 14.217,1360 8.68,1361 7.232,1362 15.151,1363 9.018,1364 14.31,1365 0.298,1366 0.139,1367 14.31,1368 6.653,1369 11.047,1370 0.184,1371 0.074,1372 11.047,1373 4.412,1374 8.55,1375 0.114,1376 0.037,1377 8.55,1378 2.808,1379 7.421,1380 0.074,1381 0.02,1382 7.421,1383 1.974,1384 0.324,1385 97.995,1386 0.216,1387 30.115,1388 0.545,1389 164,1390 691.75,1391 188.852,1392 655.822,1393 844.96,1394 594,1395 190,1396 614.238,1397 214.169,1398 602.807,1399 859.62,1400 560,1401 5.081}
{0 CHEMBL1497562,1 1.679,2 6.957,3 3.596,4 12.93,5 97.926,6 8.588,7 0.577,8 3.804,9 3.912,10 3.588,11 3.51,12 4.893,13 3.425,14 4.332,15 4.472,16 4.021,17 3.953,18 5.393,19 3.834,20 4.603,21 4.79,22 4.128,23 4.073,24 5.583,25 3.957,26 4.665,27 4.848,28 4.141,29 4.141,30 5.736,31 3.998,32 4.674,33 4.856,34 4.244,35 4.168,36 5.735,37 4.005,38 4.656,39 4.826,40 4.03,41 4.121,42 5.664,43 3.926,44 4.585,45 4.813,46 3.514,47 3.792,48 5.556,49 3.577,50 4.377,51 4.671,52 2.808,53 3.238,54 5.44,55 3.036,56 0.038,57 0.595,58 7.776,59 3.823,60 8.732,61 4.533,62 0.095,63 0.989,64 16.554,65 7.479,66 19.534,67 9.005,68 0.178,69 1.284,70 25.479,71 9.807,72 21.973,73 11.712,74 0.206,75 1.399,76 26.554,77 10.762,78 33.444,79 12.622,80 0.299,81 1.453,82 31.993,83 11.242,84 38.535,85 12.194,86 0.128,87 1.413,88 32.921,89 12.231,90 18.547,91 12.939,92 0.205,93 1.253,94 32.63,95 10.977,96 31.081,97 12.244,98 0.268,99 0.92,100 23.225,101 7.635,102 54.886,103 9.12,104 11,105 38,106 0.295,107 0.669,108 0.78,109 0.857,110 0.874,111 0.874,112 3.191,113 1.089,114 -4.1,115 -4.04,116 -3.83,120 42.5,122 5,143 2,144 3,145 1,147 1,152 1,153 2,159 1,162 1,164 2,165 2,166 2,174 8,177 4,179 1,180 1,182 1,185 12,187 1,189 4,194 3,197 14,199 3,201 3,203 2,204 2,205 1,206 2,208 2,209 10,211 2,212 1,213 1,214 3,216 1,217 1,219 4,222 11,224 4,227 2,232 4,235 9,237 4,240 4,245 6,247 2,249 6,252 3,257 3,262 3,264 1,269 1,273 1,274 653,275 15.69,276 15.69,277 15.69,278 15.69,279 15.69,280 13.784,281 11.695,282 9.192,283 16.094,284 12.851,285 12.851,286 12.851,287 12.851,288 12.851,289 9.848,290 7.876,291 4.356,292 13.569,293 3.643,294 1.518,295 0.888,296 0.45,297 0.35,298 0.35,299 3.887,305 1,306 1,307 1,308 349,309 2.646,312 74.543,313 37.785,314 53.065,316 60.262,318 78.48,320 1.009,321 21.121,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48.5,333 160,334 4.814,335 3.592,336 7.153,337 4.362,338 3.4,339 4.783,340 0.98,341 12.522,342 3.277,343 4.256,344 3.363,345 6.482,346 3.864,347 2.907,348 3.837,350 9.977,351 2.777,352 3.898,353 2.828,354 5.874,355 3.465,356 2.528,357 3.431,359 8.036,360 2.375,361 3.663,362 2.596,363 5.701,364 3.246,365 2.27,366 3.007,368 7.364,369 2.178,370 3.356,371 2.055,372 5.026,373 2.839,374 1.921,375 2.732,377 5.608,378 1.755,379 2.936,380 1.896,381 4.613,382 2.64,383 1.648,384 2.028,386 4.259,387 1.63,388 2.638,389 1.605,390 4.058,391 2.471,392 1.51,393 1.644,395 3.377,396 1.435,397 2.531,398 1.524,399 3.766,400 2.258,401 1.283,402 1.504,404 3.099,405 1.238,406 2.476,407 1.19,408 3.657,409 1.921,410 1,411 1.448,413 2.467,414 0.893,415 2.118,416 0.716,417 3.242,418 1.556,419 0.637,420 0.927,422 1.588,423 0.572,424 1.95,425 0.618,426 3,427 1.461,428 0.618,429 0.814,431 1.372,432 0.506,433 1.24,434 0.219,435 2.927,436 0.947,437 -0.017,438 -0.019,440 -0.043,441 -0.016,442 1.037,443 0.056,444 2.664,445 0.793,446 -0.171,447 -0.193,449 -0.43,450 -0.164,451 0.687,452 -0.011,453 2.346,454 0.403,455 -0.565,456 -0.691,458 -1.57,459 -0.546,460 0.599,461 -0.475,462 2.316,463 0.232,464 -0.683,465 -0.809,467 -1.821,468 -0.609,469 11.7,470 0.509,471 0.593,472 0.026,473 28.25,474 1.228,475 14,476 0.609,477 14.25,478 0.62,479 22.403,480 0.974,481 23.7,482 0.593,483 17.586,484 0.765,485 4.757,486 0.207,487 6.408,488 0.279,489 0.097,491 0.385,496 0.837,497 0.824,498 0.729,499 0.689,500 0.781,501 0.737,502 0.459,503 0.981,504 0.779,505 0.889,506 0.393,507 0.867,508 0.761,509 1.004,510 0.755,511 0.878,512 0.768,513 0.824,514 0.655,515 1.012,516 0.959,517 0.998,518 0.504,519 0.998,520 0.939,521 0.928,522 1.032,523 0.963,524 0.86,525 0.952,526 0.916,527 1.34,528 1.565,529 1.51,530 0.757,531 1.342,532 0.975,533 1.338,534 1.425,535 1.505,536 0.987,537 1.407,538 1.794,539 0.917,540 0.844,541 0.823,542 2.057,543 1.029,544 3.5,546 2.444,547 2.257,548 1.671,549 1.004,550 0.673,551 0.234,552 0.116,553 0.031,554 4775,555 13012,556 2.141,557 42.5,558 8,559 2,560 1,562 4,563 2,567 1.67,568 2,569 2.802,570 1.822,572 1,575 67.148,576 1.679,577 3.804,578 4.434,579 4.872,580 4.972,581 4.972,582 2.257,583 4.056,584 4.496,585 2.93,586 741.237,587 7.806,588 8024.31,589 1,590 1,592 1,593 212.877,594 1.422,595 4.454,596 0.135,598 0.064,599 0.054,600 0.04,601 0.024,602 0.02,603 0.012,604 0.013,605 0.016,606 0.378,607 0.33,608 1,609 0.777,610 102.89,611 -0.134,612 0.229,613 0.046,614 0.181,615 -0.104,616 0.136,617 0.177,618 0.001,619 0.116,620 0.072,621 0.181,622 0.082,623 0.071,624 -0.039,625 0.144,626 0.06,627 0.01,628 0.14,629 0.14,630 -0.009,631 -0.016,632 -0.035,633 0.183,634 -0.044,635 0.001,636 0.122,637 0.044,638 0.081,639 -0.022,640 0.006,641 -0.128,642 -0.298,643 -0.333,644 -0.348,645 -0.048,646 -0.348,647 -0.056,648 -0.368,649 -0.328,650 -0.456,651 -0.067,652 -0.401,653 -0.214,654 -0.041,655 -0.046,656 -0.013,657 -0.205,658 -0.057,659 2.141,660 4.693,661 0.826,662 15.157,663 0.999,664 1.111,665 2.868,666 8.225,667 0.727,668 3.296,669 3.664,670 4.025,671 4.394,672 4.654,673 4.898,674 5.063,675 5.193,676 5.193,677 5.153,678 4.51,679 0.671,680 343.51,681 3.296,682 4.86,683 5.753,684 6.673,685 7.593,686 8.526,687 9.457,688 10.395,689 11.331,690 12.271,691 7.5,695 1,698 1,701 1,708 2,709 3,710 1,713 2,714 6,716 15,722 1,728 1,738 40,739 16,741 26,743 43,744 17,745 11,748 1,752 4,753 7,763 5,766 5,768 12,769 5,772 1,778 1,782 1,785 1,786 1,789 17,790 4,791 4,792 6,793 2,797 3,803 0.5,804 1,816 1,822 2,823 1,824 1,826 1,828 1,855 2,857 2,862 23,863 2,869 5,880 2,886 2.5,889 1,893 11.5,894 7.117,895 4.972,896 2.544,898 2.905,899 1.39,900 1.059,901 3.937,902 10.362,903 3.57,904 4.241,905 4.936,906 5.647,907 6.211,908 6.75,909 7.237,910 7.661,911 7.867,912 8.062,913 0.8,914 42,915 8.537,917 3.772,918 7.681,919 16.608,921 14.48,924 2.181,925 50.167,928 1,929 153.024,930 124.026,931 82.58,933 25.145,935 62.555,936 61.47,937 178.169,938 82.58,940 45.57,941 59.499,942 46.952,943 14.458,944 14.488,945 203.809,947 153.024,948 144.05,949 25.145,950 62.555,952 153.024,953 25.145,956 48.644,957 78.621,958 16.786,959 62.555,960 153.024,961 107.725,962 124.026,965 153.024,966 97.424,967 26.602,969 107.725,970 153.024,971 107.725,972 124.026,973 0.587,974 0.357,975 0.213,976 0.119,977 21,978 9,979 0.047,980 2,981 2,982 1.211,983 3.35,984 205.625,985 0.211,986 19,987 104.042,989 2,993 15.218,994 5.95,995 2.503,996 1.743,997 107.725,998 6.237,999 4.846,1002 3.019,1003 5.735,1005 65.794,1006 384.775,1007 34.5,1013 11.693,1017 -0.474,1020 39.971,1021 44.451,1022 0.315,1023 0.715,1024 0.833,1025 0.915,1026 0.934,1027 0.934,1028 4.826,1029 1.283,1030 5.759,1031 3.377,1032 4.344,1033 4.927,1034 1.072,1035 6.658,1036 4.243,1037 6.063,1038 1,1039 7.367,1040 3.099,1041 4.007,1042 4.902,1044 7.732,1045 3.881,1046 7.405,1047 0.637,1048 9.083,1049 2.467,1050 6.004,1051 7.25,1052 1.045,1053 10.926,1054 5.824,1055 8.792,1056 0.618,1057 10.862,1058 1.588,1059 6.538,1060 8.115,1062 12.865,1063 6.322,1064 10.217,1065 -0.017,1066 12.683,1067 1.372,1068 8,1069 9.93,1070 1.019,1071 15.587,1072 7.748,1073 11.668,1074 -0.171,1075 14.533,1076 -0.043,1077 8.92,1078 11.184,1080 17.87,1081 8.63,1082 13.141,1083 -0.565,1084 16.403,1085 -0.43,1086 10.198,1087 12.818,1088 0.993,1089 20.447,1090 9.876,1091 3.4,1092 -0.683,1093 18.288,1094 -1.57,1095 11.283,1096 14.244,1098 22.87,1099 10.924,1100 2.907,1101 12.522,1102 20.185,1103 -1.821,1104 12.503,1105 15.819,1106 0.967,1107 25.403,1108 12.112,1109 2.528,1110 9.977,1111 22.092,1112 4.783,1113 13.659,1114 17.32,1116 27.883,1117 13.232,1118 2.27,1119 8.036,1120 24.008,1121 3.837,1122 14.865,1123 18.879,1124 0.942,1125 30.405,1126 14.405,1127 1.921,1128 7.364,1129 25.93,1130 3.431,1131 16.051,1132 20.413,1134 32.91,1135 15.556,1136 1.648,1137 5.608,1138 27.858,1139 3.007,1140 17.258,1141 21.97,1142 0.917,1143 35.43,1144 16.728,1145 1.51,1146 4.259,1147 29.791,1148 2.732,1149 18.459,1150 23.519,1152 37.946,1153 17.894,1154 4600,1155 7742,1156 17.512,1157 29.097,1158 40.079,1159 40.198,1160 40.844,1161 39.351,1162 39.445,1163 52.312,1164 1.96,1165 119.338,1166 37.273,1167 5.709,1168 5.592,1169 6.904,1170 5.505,1171 5.4,1172 7.783,1173 1.96,1174 20.188,1175 5.264,1176 9.974,1177 1.541,1178 1.546,1179 1.571,1180 1.514,1181 1.517,1182 2.012,1183 0.075,1184 4.59,1185 1.434,1186 4.137,1187 4.147,1188 4.377,1189 4.14,1190 7.437,1191 4.098,1192 3.78,1193 3.8,1194 4.175,1195 3.835,1196 5.13,1197 3.742,1198 3.755,1199 3.785,1200 3.721,1201 3.68,1202 4.872,1203 3.651,1204 3.405,1205 3.453,1206 3.328,1207 3.235,1208 4.785,1209 3.237,1210 3.26,1211 3.34,1212 3.154,1213 3.112,1214 4.607,1215 3.091,1216 3.137,1217 3.222,1218 3.063,1219 2.887,1220 4.145,1221 2.914,1222 2.84,1223 2.934,1224 2.931,1225 2.697,1226 3.813,1227 2.643,1228 2.669,1229 2.731,1230 2.682,1231 2.466,1232 3.719,1233 2.467,1234 0.185,1235 0.138,1236 0.275,1237 0.168,1238 0.131,1239 4.814,1240 0.184,1241 3.592,1242 0.038,1243 7.153,1244 0.482,1245 4.362,1246 0.126,1247 3.4,1248 4.783,1249 0.98,1250 12.522,1251 3.277,1252 1.947,1253 1.932,1254 1.994,1255 2.013,1256 1.328,1257 2.015,1258 1.705,1259 1.643,1260 1.961,1261 1.865,1262 1.283,1263 1.903,1264 1.555,1265 1.547,1266 1.663,1267 1.729,1268 0.883,1269 1.712,1270 1.46,1271 1.421,1272 1.608,1273 1.574,1274 0.668,1275 1.601,1276 1.35,1277 1.328,1278 1.431,1279 1.495,1280 0.62,1281 1.514,1282 1.219,1283 1.227,1284 1.227,1285 1.3,1286 0.478,1287 1.332,1288 0.939,1289 0.858,1290 1.187,1291 1.207,1292 0.412,1293 1.27,1294 0.745,1295 0.645,1296 1.072,1297 0.997,1298 0.175,1299 1.064,1300 3.97,1302 5.323,1303 3.045,1304 6.866,1305 5.416,1306 8.513,1307 7.526,1308 10.227,1313 11.785,1315 5.583,1326 26.841,1327 67.148,1328 152.148,1329 177.367,1330 194.877,1331 198.877,1332 198.877,1333 35.657,1334 7.457,1335 82,1336 138.48,1337 23,1338 12.767,1339 4.087,1340 3.248,1341 31.382,1342 61,1343 59,1344 0.261,1345 170.416,1346 280.85,1347 407.575,1348 15519,1350 15.974,1351 0.695,1352 0.619,1353 16.681,1354 14.227,1355 11.165,1356 0.429,1357 0.363,1358 7.84,1359 10.05,1360 7.526,1361 6.189,1362 12.027,1363 9.435,1364 10.26,1365 0.27,1366 0.205,1367 11.459,1368 7.786,1369 8.964,1370 0.163,1371 0.116,1372 10.543,1373 6.396,1374 8.126,1375 0.102,1376 0.064,1377 9.725,1378 5.14,1379 6.428,1380 0.062,1381 0.035,1382 7.806,1383 3.667,1384 0.38,1385 77.175,1386 0.239,1387 21.513,1388 0.819,1389 128,1390 325.726,1391 182.784,1392 365.549,1393 508.2,1394 342,1395 157,1396 351.286,1397 207.529,1398 388.733,1399 581.13,1400 368,1401 6.545}
{0 CHEMBL1497714,1 1.851,2 9.19,3 1.575,4 2.479,5 78.961,6 8.594,7 0.478,8 3.732,9 3.817,10 3.598,11 3.237,12 4.808,13 3.224,14 4.288,15 4.423,16 3.864,17 3.583,18 5.645,19 3.576,20 4.455,21 4.624,22 3.878,23 3.65,24 5.665,25 3.612,26 4.393,27 4.558,28 3.755,29 3.588,30 5.746,31 3.523,32 4.286,33 4.476,34 3.575,35 3.484,36 5.434,37 3.385,38 4.187,39 4.357,40 3.517,41 3.306,42 5.55,43 3.261,44 4.103,45 4.3,46 3.313,47 3.158,48 5.41,49 3.122,50 3.889,51 4.07,52 3.055,53 3.014,54 5.046,55 2.972,56 0.154,57 0.57,58 8.875,59 3.578,60 16.815,61 3.781,62 0.519,63 0.861,64 15.527,65 5.626,66 55.549,67 6.193,68 0.654,69 0.958,70 22.306,71 6.564,72 45.711,73 7.382,74 0.661,75 0.892,76 19.42,77 6.609,78 56.007,79 7.327,80 0.467,81 0.781,82 20.732,83 6.738,84 49.526,85 7.616,86 0.605,87 0.687,88 18.684,89 5.32,90 65.779,91 5.808,92 0.604,93 0.612,94 16.343,95 4.312,96 65.13,97 5.007,98 0.393,99 0.491,100 12.581,101 3.876,102 38.251,103 4.51,104 11,105 33,106 0.336,107 0.672,108 0.8,109 0.834,110 0.844,111 0.854,112 3.103,113 1.045,114 -1.74,115 -1.81,116 -1.83,120 36.1,121 1,126 3,143 3,145 4,146 1,152 1,167 1,174 1,176 1,177 3,180 2,182 2,185 1,188 1,189 4,194 1,197 1,200 4,201 5,204 3,214 2,217 1,226 2,227 6,232 1,239 2,240 2,251 2,260 2,263 2,271 1,274 527,275 14.066,276 14.066,277 14.066,278 14.066,279 14.066,280 12.485,281 18.776,282 8.173,283 14.634,284 11.304,285 11.304,286 11.304,287 11.304,288 11.304,289 8.72,290 18.524,291 3.815,292 12.202,293 3.318,294 1.469,295 0.764,296 0.577,297 0.521,298 0.465,299 3.78,305 1,306 1,307 1,308 416,309 3.24,312 57.785,313 109.121,317 92.84,320 1.361,321 30.642,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47.5,333 193,334 4.864,335 4.688,336 7.313,337 4.321,338 3.403,339 4.718,340 0.86,341 12.535,342 3.097,343 4.266,344 3.253,345 6.182,346 3.849,347 2.908,348 3.907,349 0.86,350 9.218,351 2.728,352 3.907,353 2.62,354 5.483,355 3.45,356 2.503,357 3.459,359 7.276,360 2.365,361 3.503,362 2.447,363 5.219,364 3.111,365 2.166,366 2.816,368 6.47,369 2.036,370 2.923,371 2.176,372 4.557,373 2.53,374 1.618,375 2.061,377 4.387,378 1.469,379 2.864,380 1.817,381 4.401,382 2.424,383 1.465,384 1.964,386 4.157,387 1.402,388 2.476,389 1.543,390 3.617,391 2.31,392 1.382,393 1.474,395 2.999,396 1.267,397 2.188,398 1.012,399 3.316,400 1.65,401 0.72,402 1.034,404 1.708,405 0.665,406 1.922,407 0.819,408 3.214,409 1.596,410 0.685,411 0.829,413 1.611,414 0.619,415 1.469,416 0.409,417 3.095,418 1.286,419 0.313,420 0.354,422 0.448,423 0.304,424 1.212,425 0.246,426 2.696,427 0.892,428 -0.047,429 -0.057,431 -0.13,432 -0.044,433 1,434 -0.108,435 2.373,436 0.313,437 -0.618,438 -0.729,440 -1.59,441 -0.563,442 0.687,443 -0.239,444 2.317,445 0.209,446 -0.727,447 -0.848,449 -1.976,450 -0.669,451 0.562,452 -0.463,453 2,455 -1,456 -1.322,458 -2.766,459 -0.992,460 0.183,461 -1,462 2,463 -0.145,464 -1.108,465 -1.441,467 -3,468 -1,469 9.867,470 0.47,471 0.59,472 0.028,473 28.5,474 1.357,475 14.5,476 0.69,477 14,478 0.667,479 14.056,480 0.669,481 23.733,482 0.659,483 19.988,484 0.952,485 5.482,486 0.261,487 4.6,488 0.219,489 0.118,490 0.084,491 0.243,496 0.659,497 1.447,498 0.784,499 1.386,500 0.682,501 1,502 1.004,503 1.178,504 0.863,505 0.953,506 0.612,507 0.87,508 1.218,509 1.044,510 1.072,511 1.004,512 0.978,513 0.894,514 1.007,515 0.894,516 1.135,517 1.047,518 1.284,519 1.097,520 0.933,521 1.087,522 1.157,523 1.224,524 1.25,525 1.08,526 1.144,527 1.138,528 1.221,529 1.177,530 1.562,531 1.024,532 1.211,533 0.852,534 1.105,535 0.84,536 1.496,537 0.856,538 1.166,539 0.934,540 1.094,541 1.006,542 1.282,543 1.017,544 5.5,545 0.037,546 2.667,547 1.438,548 1.576,549 0.451,550 0.455,551 0.24,552 0.123,553 0.086,554 4356,555 13686,556 2.062,557 41.7,559 9,560 1,561 1,562 1,564 3,567 1.63,568 1.924,569 3.184,570 -0.151,571 1,572 1,574 1,575 66.653,576 1.851,577 3.701,578 4.406,579 4.593,580 4.649,581 4.705,582 2.661,583 3.975,584 4.365,585 3.286,586 690.03,587 7.471,588 7224.06,589 1,590 1,592 1,593 186.117,594 1.565,595 4.311,596 0.239,597 0.006,598 0.081,599 0.046,600 0.058,601 0.021,602 0.022,603 0.013,604 0.008,605 0.009,606 0.503,607 0.33,608 1,609 0.819,610 94.585,611 0.06,612 -0.191,613 0.239,614 -0.173,615 -0.15,616 -0.022,617 0.008,618 -0.086,619 0.05,620 0.034,621 0.227,622 0.046,623 -0.158,624 -0.015,625 -0.016,626 0.033,627 -0.053,628 0.053,629 0.03,630 0.153,631 -0.14,632 -0.045,633 -0.018,634 -0.166,635 -0.045,636 -0.112,637 -0.03,638 -0.099,639 -0.097,640 -0.043,642 -0.152,643 -0.102,644 -0.113,645 -0.051,646 -0.069,647 -0.05,648 0.112,649 -0.1,650 0.078,651 -0.081,652 0.061,653 -0.088,654 0.002,655 -0.175,656 -0.074,657 -0.165,658 -0.062,659 4.575,660 5.262,661 0.714,662 14.776,663 1.028,664 1.132,665 0.512,666 0.262,667 0.668,668 3.178,669 3.526,670 3.761,671 3.989,672 4.159,673 4.174,674 4.174,675 4.277,676 4.29,677 4.205,678 5.314,679 0.646,680 309.38,681 3.178,682 4.727,683 5.572,684 6.46,685 7.323,686 8.213,687 9.082,688 9.972,689 10.844,690 11.733,691 8.3,696 1,699 1,701 1,709 5,710 1,714 4,715 1,716 11,735 2,738 36,739 13,740 1,741 23,743 38,744 13,745 9,746 3,747 3,752 3,753 4,759 1,768 9,769 4,772 2,776 1,778 2,785 1,786 1,789 15,790 6,791 1,792 8,793 1,797 3,803 0.667,804 4,814 1,822 1,823 2,827 1,855 2,857 1,859 1,862 21,866 1,869 3,871 1,872 2,886 11.1,889 2,891 2,893 10.917,894 6.65,895 4.569,896 2.148,898 1.974,899 1.295,900 0.986,901 3.886,902 8.676,903 3.45,904 4.09,905 4.576,906 5.103,907 5.491,908 5.7,909 5.785,910 6.095,911 6.237,912 6.39,913 1,914 31,915 7.991,917 3.654,918 8.004,919 14.577,921 11.974,924 2.504,925 52.583,929 164.795,930 87.241,931 34.845,933 66.313,935 5.807,936 81.434,937 231.108,938 34.845,939 8.825,940 11.29,941 43.284,942 89.152,943 47.618,944 11.771,945 141.253,947 164.795,948 116.278,949 66.313,950 5.807,952 129.482,953 101.626,956 30.94,957 52.271,958 38.875,960 164.795,961 101.157,962 87.241,964 5.807,965 164.795,966 26.085,967 57.125,968 16.405,969 82.976,970 164.795,971 101.157,972 87.241,973 0.588,974 0.341,975 0.176,976 0.094,977 17,978 7,979 0.105,980 4,981 1,982 1.133,983 3.331,984 161.007,985 0.133,986 15,987 90.239,992 1,993 14.382,994 5.675,995 3.048,997 99.381,998 7.734,999 3.966,1003 1.691,1004 1.554,1005 16.405,1006 353.194,1007 30.5,1011 -3.659,1013 24.525,1020 36.993,1021 40.744,1022 0.358,1023 0.716,1024 0.852,1025 0.888,1026 0.899,1027 0.91,1028 4.698,1029 0.72,1030 5.602,1031 2.999,1032 4.205,1033 4.775,1034 1.376,1035 6.46,1036 4.06,1037 5.946,1038 0.685,1039 7.2,1040 1.708,1041 4.007,1042 4.945,1044 7.711,1045 3.776,1046 7.313,1047 0.313,1048 8.914,1049 1.611,1050 5.905,1051 7.125,1052 1.159,1053 10.721,1054 5.603,1055 8.726,1056 -0.047,1057 10.702,1058 0.448,1059 6.524,1060 8.109,1062 12.797,1063 6.116,1064 10.176,1065 -0.618,1066 12.538,1067 -0.13,1068 7.949,1069 9.836,1070 0.963,1071 15.434,1072 7.471,1073 11.651,1074 -0.727,1075 14.41,1076 -1.59,1077 8.908,1078 11.141,1080 17.8,1081 8.32,1082 13.146,1083 -1,1084 16.307,1085 -1.976,1086 10.177,1087 12.729,1088 0.787,1089 20.348,1090 9.509,1091 3.403,1092 -1.108,1093 18.223,1094 -2.766,1095 11.279,1096 14.166,1098 22.815,1099 10.503,1100 2.908,1101 12.535,1102 20.154,1103 -3,1104 12.498,1105 15.714,1106 0.634,1107 25.342,1108 11.635,1109 2.503,1110 9.218,1111 22.096,1112 4.718,1113 13.661,1114 17.207,1116 27.846,1117 12.693,1118 2.166,1119 7.276,1120 24.048,1121 3.907,1122 14.869,1123 18.745,1124 0.504,1125 30.371,1126 13.808,1127 1.618,1128 6.47,1129 26.007,1130 3.459,1131 16.06,1132 20.265,1134 32.888,1135 14.896,1136 1.465,1137 4.387,1138 27.972,1139 2.816,1140 17.267,1141 21.804,1142 0.395,1143 35.414,1144 16.008,1145 1.382,1146 4.157,1147 29.941,1148 2.061,1149 18.471,1150 23.337,1152 37.937,1153 17.111,1154 4243,1155 7683,1156 15.197,1157 24.051,1158 34.241,1159 35.317,1160 35.401,1161 34.36,1162 34.327,1163 45.233,1164 3.44,1165 101.619,1166 31.905,1167 5.808,1168 6.688,1169 7,1170 5.462,1171 5.403,1172 7.718,1173 1.72,1174 19.973,1175 5.097,1176 9.446,1177 1.489,1178 1.536,1179 1.539,1180 1.494,1181 1.492,1182 1.967,1183 0.15,1184 4.418,1185 1.387,1186 4.107,1187 4.108,1188 4.74,1189 4.05,1190 7.717,1191 3.971,1192 3.913,1193 3.936,1194 3.877,1195 3.801,1196 6.999,1197 3.802,1198 3.653,1199 3.665,1200 3.739,1201 3.453,1202 4.955,1203 3.424,1204 3.426,1205 3.474,1206 3.303,1207 3.237,1208 4.902,1209 3.237,1210 3.241,1211 3.309,1212 3.06,1213 3.056,1214 4.366,1215 3.028,1216 2.906,1217 2.943,1218 2.805,1219 2.738,1220 4.213,1221 2.737,1222 2.728,1223 2.769,1224 2.635,1225 2.591,1226 3.959,1227 2.589,1228 2.509,1229 2.625,1230 2.275,1231 2.259,1232 3.66,1233 2.244,1234 0.211,1235 0.204,1236 0.318,1237 0.188,1238 0.148,1239 4.864,1240 0.205,1241 4.688,1242 0.037,1243 7.313,1244 0.545,1245 4.321,1246 0.135,1247 3.403,1248 4.718,1249 0.86,1250 12.535,1251 3.097,1252 1.915,1253 1.914,1254 1.979,1255 2.04,1256 1.129,1257 2.042,1258 1.724,1259 1.751,1260 1.861,1261 1.884,1262 1.048,1263 1.893,1264 1.574,1265 1.497,1266 1.685,1267 1.8,1268 0.954,1269 1.823,1270 1.405,1271 1.354,1272 1.546,1273 1.608,1274 0.859,1275 1.631,1276 1.031,1277 0.988,1278 1.284,1279 1.351,1280 0.304,1281 1.349,1282 1.007,1283 0.917,1284 1.153,1285 1.232,1286 0.217,1287 1.245,1288 0.854,1289 0.814,1290 1.009,1291 1.077,1292 0.144,1293 1.085,1294 0.647,1295 0.63,1296 0.905,1297 0.854,1298 0.055,1299 0.862,1300 3.85,1302 5.187,1303 2.398,1304 6.718,1305 4.595,1306 8.332,1307 6.605,1308 9.989,1310 1.887,1315 1.556,1317 2.505,1318 10.825,1326 23.271,1327 66.653,1328 133.223,1329 158.608,1330 165.362,1331 167.362,1332 169.362,1333 38.047,1334 6.702,1335 82.45,1336 90.83,1337 17,1338 12.266,1339 3.807,1340 3.087,1341 32.25,1342 67,1343 68,1344 0.241,1345 146.152,1346 248.05,1347 348.372,1348 6504,1350 14.872,1351 0.708,1352 0.584,1353 15.122,1354 12.26,1355 10.082,1356 0.438,1357 0.348,1358 6.511,1359 8.712,1360 6.271,1361 5.168,1362 10.903,1363 8.015,1364 9.461,1365 0.287,1366 0.187,1367 10.761,1368 6.178,1369 7.687,1370 0.183,1371 0.104,1372 8.778,1373 4.374,1374 6.222,1375 0.117,1376 0.056,1377 7.25,1378 2.979,1379 4.782,1380 0.076,1381 0.033,1382 5.744,1383 2.083,1384 0.373,1385 72.965,1386 0.257,1387 20.759,1388 0.672,1389 112,1390 407.426,1391 165.797,1392 398.001,1393 537.22,1394 368,1395 131,1396 370.474,1397 194.589,1398 401.535,1399 586.09,1400 376,1401 5.731}
{0 CHEMBL1498307,1 1.788,2 10.96,3 4.363,4 19.035,5 93.778,6 9.19,7 0.556,8 3.792,9 3.87,10 3.569,11 3.393,12 5.069,13 3.375,14 4.286,15 4.392,16 3.968,17 3.779,18 5.681,19 3.743,20 4.453,21 4.589,22 4.041,23 3.796,24 5.779,25 3.771,26 4.487,27 4.621,28 3.861,29 3.733,30 5.871,31 3.731,32 4.502,33 4.688,34 3.647,35 3.642,36 5.828,37 3.568,38 4.347,39 4.537,40 3.654,41 3.46,42 5.881,43 3.412,44 4.105,45 4.269,46 3.509,47 3.318,48 5.469,49 3.297,50 4.074,51 4.213,52 3.488,53 3.312,54 5.449,55 3.267,56 0.192,57 0.546,58 5.4,59 3.623,60 13.338,61 3.669,62 0.453,63 0.862,64 12.1,65 6.292,66 64.122,67 6.496,68 0.489,69 0.995,70 20.079,71 7.924,72 58.005,73 8.04,74 0.556,75 0.98,76 14.323,77 6.808,78 71.835,79 6.755,80 0.738,81 0.981,82 20.856,83 7.784,84 96.819,85 8.544,86 0.752,87 0.793,88 18.616,89 6.931,90 112.305,91 8.155,92 0.445,93 0.65,94 12.907,95 5.098,96 64.549,97 5.201,98 0.541,99 0.635,100 14.313,101 5.08,102 80.277,103 4.396,104 30,105 38,106 0.313,107 0.697,108 0.825,109 0.877,110 0.877,111 0.877,112 3.266,113 0.929,114 -3.69,115 -3.66,116 -3.48,120 43.6,121 1,122 1,126 1,143 5,144 3,152 1,153 2,154 1,158 1,159 1,167 2,174 8,176 2,177 3,182 3,185 9,188 1,189 11,194 3,197 7,201 6,204 1,206 2,209 5,213 3,214 4,217 1,222 2,226 4,227 7,235 2,240 5,243 1,247 3,251 1,252 4,257 2,260 3,263 2,264 5,269 1,271 5,274 886,275 16.715,276 16.715,277 16.715,278 16.715,279 16.715,280 14.484,281 13.919,282 9.629,283 17.055,284 13.199,285 13.199,286 13.199,287 13.199,288 13.199,289 9.641,290 10.686,291 4.398,292 13.746,293 3.497,294 1.302,295 0.573,296 0.276,297 0.276,298 0.276,299 3.942,306 1,307 1,308 581,309 3.873,312 132.92,313 71.125,316 108.516,320 1.568,321 39.375,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 56,333 274,334 4.645,335 3.793,336 6.798,337 4.196,338 3.203,339 4.6,340 2.612,341 11.183,342 3.18,343 4.357,344 3.715,345 6.164,346 3.851,347 2.937,348 4.059,349 1.797,350 9.07,351 2.677,352 3.968,353 3.58,354 6.002,355 3.6,356 2.6,357 3.397,358 1.338,359 8.398,360 2.598,361 3.904,362 3.096,363 5.755,364 3.436,365 2.477,366 3.348,368 7.576,369 2.343,370 3.309,371 2.357,372 5.051,373 2.923,374 1.921,375 2.53,377 5.56,378 1.922,379 3.154,380 2.33,381 4.304,382 2.533,383 1.571,384 2.337,386 3.987,387 1.509,388 3.047,389 1.72,390 4.162,391 2.513,392 1.543,393 2.313,395 3.704,396 1.477,397 2.558,398 1.551,399 3.937,400 2.084,401 1.11,402 1.557,404 2.938,405 1.075,406 2.447,407 1.427,408 3.531,409 1.889,410 0.934,411 1.335,413 2.222,414 0.887,415 2.266,416 1.308,417 3.349,418 1.803,419 0.831,420 1.152,422 1.956,423 0.792,424 2.159,425 1,426 3.253,427 1.527,428 0.654,429 0.98,431 1.596,432 0.554,433 1.679,434 0.979,435 2.825,436 1.333,437 0.357,438 0.43,440 0.636,441 0.344,442 1.546,443 0.705,444 2.625,445 1.161,446 0.162,447 0.219,449 0.322,450 0.158,451 1,452 0.427,453 2.289,454 0.384,455 -0.608,456 -0.791,458 -1.245,459 -0.602,460 0.768,461 0.303,462 2.106,463 0.152,464 -0.852,465 -1.159,467 -2,468 -0.844,469 11.8,470 0.472,471 0.665,472 0.027,473 33.75,474 1.35,475 18,476 0.72,477 15.75,478 0.63,479 18.246,480 0.73,481 26.6,482 0.682,483 25.193,484 1.008,485 6.659,486 0.266,487 5.348,488 0.214,489 0.155,491 0.373,496 0.512,497 0.968,498 0.651,499 0.84,500 0.507,501 0.822,502 0.602,503 1.003,504 0.737,505 0.902,506 0.466,507 0.861,508 0.677,509 1.233,510 0.891,511 1.291,512 0.703,513 1.027,514 1.163,515 1.127,516 0.858,517 0.989,518 1.1,519 1.118,520 0.898,521 0.897,522 1.065,523 1.007,524 0.824,525 1.14,526 0.607,527 0.897,528 0.639,529 0.887,530 0.573,531 0.918,532 1.179,533 0.862,534 0.808,535 0.792,536 1.2,537 0.823,538 1.563,539 0.839,540 1.255,541 0.857,542 1.604,543 0.871,544 5,545 0.111,546 3.778,547 1.785,548 1.483,549 0.809,550 0.427,551 0.281,552 0.221,553 0.165,554 7243,555 26098,556 2.015,557 35.9,558 5,559 7,560 1,562 1,567 1.676,568 1.852,569 3.428,570 -0.238,572 1,575 69.731,576 1.788,577 3.984,578 4.712,579 5.01,580 5.01,581 5.01,582 2.889,583 4.404,584 4.617,585 3.582,586 1074.67,587 7.964,588 13284,590 1,592 1,593 206.131,594 1.516,595 4.555,596 0.185,597 0.007,598 0.099,599 0.047,600 0.042,601 0.031,602 0.017,603 0.012,604 0.011,605 0.008,606 0.459,607 0.33,608 1,609 0.942,610 121.887,611 0.102,612 0.118,613 0.051,614 0.092,615 -0.013,616 0.038,617 0.146,618 0.013,619 0.131,620 0.097,621 0.149,622 0.076,623 0.118,624 -0.235,625 0.142,626 -0.232,627 0.043,628 -0.033,629 -0.177,630 -0.164,631 -0.148,632 -0.18,633 -0.135,634 -0.227,635 0.047,636 0.049,637 -0.115,638 -0.082,639 0.023,640 -0.128,641 0.395,642 -0.034,643 0.328,644 0.045,645 0.352,646 0.148,647 -0.124,648 0.077,649 0.128,650 0.134,651 -0.111,652 0.157,653 -0.33,654 0.127,655 -0.122,656 0.21,657 -0.331,658 0.09,659 2.58,660 5.367,661 0.56,662 21.008,663 1.031,664 1.114,665 2.465,666 6.074,667 0.705,668 3.332,669 3.664,670 3.951,671 4.174,672 4.29,673 4.369,674 4.331,675 4.344,676 4.304,677 4.331,678 6.477,679 0.691,680 358.4,681 3.332,682 4.875,683 5.733,684 6.613,685 7.491,686 8.374,687 9.257,688 10.143,689 11.029,690 11.917,691 5.1,699 1,702 1,708 2,709 6,711 1,713 1,714 4,716 15,721 1,726 1,731 1,738 39,739 19,740 1,741 27,743 41,744 17,745 12,746 3,747 3,748 2,752 3,753 4,759 1,766 1,768 14,769 3,772 4,775 1,778 4,782 2,786 1,789 14,790 5,791 1,792 8,793 1,797 2,803 0.667,804 5,818 1,822 2,823 1,826 1,855 2,857 1,859 1,862 25,869 2,872 1,880 1,886 12.8,889 2,891 1,892 2,893 13.5,894 7.45,895 5.583,896 2.367,898 3.006,899 1.427,900 0.975,901 5.067,902 10.04,903 3.676,904 4.311,905 4.925,906 5.505,907 5.91,908 6.269,909 6.441,910 6.693,911 6.613,912 6.784,913 1,914 38,915 9.276,917 4.053,918 8.227,919 16.904,921 13.68,924 2.727,925 68.167,929 153.024,930 129.36,931 22.456,933 112.037,935 31.278,936 98.082,937 265.061,938 22.456,939 14.495,940 7.127,941 56.429,942 62.615,943 37.659,944 15.274,945 172.531,946 50.747,947 153.024,948 120.537,949 112.037,950 31.278,952 153.024,953 61.29,954 50.747,956 33.667,957 81.2,958 5.67,959 31.278,960 153.024,961 134.492,962 129.36,965 153.024,966 64.106,967 70.924,968 16.786,969 112.037,970 153.024,971 134.492,972 129.36,973 0.585,974 0.355,975 0.184,976 0.093,977 18,978 9,979 0.171,980 7,981 1,982 1.143,983 3.679,984 200.658,985 0.143,986 14,987 114.096,989 1,993 17.459,994 7.255,995 3.527,996 1.681,997 112.037,998 9.849,1000 3.09,1002 0.715,1003 1.489,1005 16.786,1006 416.876,1007 38.5,1010 -0.58,1013 45.574,1017 -1.084,1020 40.218,1021 43.455,1022 0.338,1023 0.754,1024 0.892,1025 0.948,1026 0.948,1027 0.948,1028 4.903,1029 1.11,1030 5.733,1031 3.704,1032 4.344,1033 4.997,1034 3.102,1035 6.567,1036 4.269,1037 6.139,1038 0.934,1039 7.317,1040 2.938,1041 4.007,1042 4.966,1043 2.361,1044 7.548,1045 3.927,1046 7.47,1047 0.831,1048 9.001,1049 2.222,1050 5.964,1051 7.286,1052 4.511,1053 10.635,1054 5.825,1055 8.842,1056 0.654,1057 10.743,1058 1.956,1059 6.463,1060 8.115,1061 4.506,1062 12.442,1063 6.313,1064 10.247,1065 0.357,1066 12.522,1067 1.596,1068 7.889,1069 9.904,1070 6.135,1071 15.053,1072 7.701,1073 11.674,1074 0.162,1075 14.325,1076 0.636,1077 8.742,1078 11.103,1079 6.556,1080 17.189,1081 8.541,1082 13.118,1083 -0.608,1084 16.146,1085 0.322,1086 9.977,1087 12.706,1088 7.888,1089 19.651,1090 9.752,1091 3.203,1092 -0.852,1093 17.98,1094 -1.245,1095 10.985,1096 14.072,1097 8.548,1098 21.931,1099 10.751,1100 2.937,1101 11.183,1102 19.823,1103 -2,1104 12.151,1105 15.608,1106 9.716,1107 24.346,1108 11.902,1109 2.6,1110 9.07,1111 21.675,1112 4.6,1113 13.229,1114 17.05,1115 10.509,1116 26.692,1117 12.974,1118 2.477,1119 8.398,1120 23.534,1121 4.059,1122 14.373,1123 18.564,1124 11.585,1125 29.096,1126 14.109,1127 1.921,1128 7.576,1129 25.398,1130 3.397,1131 15.484,1132 20.043,1133 12.452,1134 31.474,1135 15.217,1136 1.571,1137 5.56,1138 27.268,1139 3.348,1140 16.623,1141 21.552,1142 13.478,1143 33.877,1144 16.352,1145 1.543,1146 3.987,1147 29.142,1148 2.53,1149 17.751,1150 23.048,1151 14.386,1152 36.271,1153 17.478,1154 7118,1155 13767,1156 17.512,1157 27.5,1158 41.001,1159 43.297,1160 42.709,1161 40.565,1162 40.603,1163 56.515,1164 11.495,1165 118.293,1166 39.032,1167 5.553,1168 5.793,1169 6.387,1170 5.323,1171 5.203,1172 7.6,1173 4.612,1174 18.506,1175 5.18,1176 14.378,1177 1.519,1178 1.604,1179 1.582,1180 1.502,1181 1.504,1182 2.093,1183 0.426,1184 4.381,1185 1.446,1186 4.143,1187 4.172,1188 4.286,1189 4.063,1190 7.815,1191 4.069,1192 3.967,1193 3.968,1194 4.102,1195 3.932,1196 7.436,1197 3.869,1198 3.618,1199 3.643,1200 3.565,1201 3.468,1202 7.423,1203 3.474,1204 3.495,1205 3.519,1206 3.478,1207 3.214,1208 6.999,1209 3.226,1210 3.359,1211 3.411,1212 3.262,1213 3.121,1214 4.939,1215 3.154,1216 3.286,1217 3.343,1218 3.146,1219 2.966,1220 4.583,1221 3.046,1222 3.009,1223 3.003,1224 2.995,1225 2.685,1226 4.334,1227 2.747,1228 2.78,1229 2.847,1230 2.682,1231 2.605,1232 4.283,1233 2.609,1234 0.172,1235 0.14,1236 0.252,1237 0.155,1238 0.119,1239 4.645,1240 0.17,1241 3.793,1242 0.097,1243 6.798,1244 0.414,1245 4.196,1246 0.118,1247 3.203,1248 4.6,1249 2.612,1250 11.183,1251 3.18,1252 1.967,1253 1.946,1254 2.065,1255 2.045,1256 1.26,1257 2.052,1258 1.641,1259 1.621,1260 1.787,1261 1.916,1262 0.944,1263 1.811,1264 1.566,1265 1.543,1266 1.693,1267 1.834,1268 0.786,1269 1.806,1270 1.493,1271 1.503,1272 1.659,1273 1.653,1274 0.718,1275 1.658,1276 1.387,1277 1.312,1278 1.473,1279 1.608,1280 0.601,1281 1.622,1282 1.206,1283 1.145,1284 1.325,1285 1.458,1286 0.519,1287 1.457,1288 0.959,1289 0.92,1290 1.155,1291 1.211,1292 0.28,1293 1.177,1294 0.79,1295 0.776,1296 1.072,1297 1.053,1298 0.194,1299 1.065,1300 4.007,1302 5.333,1303 3.045,1304 6.843,1305 5.352,1306 8.437,1307 7.434,1308 10.078,1310 2.027,1315 0.408,1318 4.998,1326 26.965,1327 69.731,1328 155.36,1329 183.766,1330 195.376,1331 195.376,1332 195.376,1333 60.064,1334 7.034,1335 104.98,1336 133.22,1337 16,1338 12.448,1339 4.322,1340 3.644,1341 42.01,1342 98,1343 88,1344 0.211,1345 170.014,1346 293.58,1347 406.595,1348 10462,1350 17.974,1351 0.719,1352 0.564,1353 18.328,1354 14.092,1355 12.007,1356 0.445,1357 0.31,1358 7.493,1359 11.006,1360 7.265,1361 6.015,1362 12.415,1363 8.361,1364 10.777,1365 0.284,1366 0.167,1367 11.42,1368 6.352,1369 9.245,1370 0.181,1371 0.094,1372 10.189,1373 4.807,1374 7.338,1375 0.115,1376 0.051,1377 8.079,1378 3.272,1379 5.377,1380 0.075,1381 0.026,1382 5.905,1383 1.877,1384 0.335,1385 80.542,1386 0.239,1387 24.46,1388 0.564,1389 130,1390 495.516,1391 172.048,1392 486.207,1393 639.44,1394 448,1395 154,1396 441.807,1397 195.339,1398 453.829,1399 663.74,1400 425,1401 5.111}
{0 CHEMBL1498509,1 1.221,2 7.955,3 4.327,4 18.721,5 86.287,6 8.362,7 0.72,8 3.636,9 3.711,10 3.32,11 3.384,12 4.84,13 3.353,14 4.109,15 4.202,16 3.698,17 3.783,18 5.301,19 3.742,20 4.394,21 4.533,22 3.84,23 3.918,24 5.715,25 3.867,26 4.397,27 4.546,28 3.737,29 3.844,30 5.667,31 3.786,32 4.351,33 4.519,34 3.567,35 3.72,36 5.611,37 3.65,38 4.168,39 4.355,40 3.295,41 3.532,42 5.304,43 3.437,44 3.95,45 4.139,46 3.143,47 3.362,48 5.06,49 3.266,50 3.846,51 4.03,52 2.972,53 3.169,54 5.083,55 3.078,56 0.002,57 0.315,58 4.739,59 2.702,60 4.07,61 3.293,62 0.004,63 0.527,64 8.187,65 4.524,66 8.162,67 5.515,68 0.139,69 0.774,70 13.555,71 6.648,72 43.372,73 8.306,74 0.066,75 0.793,76 14.131,77 6.783,78 26.196,79 8.156,80 0.146,81 0.791,82 14.939,83 6.721,84 42.913,85 7.775,86 0.126,87 0.673,88 12.858,89 5.769,90 35.978,91 6.948,92 0.048,93 0.534,94 9.905,95 4.641,96 16.629,97 5.982,98 0.06,99 0.483,100 9.091,101 4.145,102 19.57,103 5.055,104 5,105 36,106 0.219,107 0.355,108 0.489,109 0.673,110 0.806,111 0.858,112 3.149,113 0.856,114 -5.35,115 -5.23,116 -4.89,120 58.8,143 12,144 6,158 2,174 20,177 2,185 26,188 1,189 6,197 25,201 8,209 21,214 6,222 20,227 3,235 16,240 3,247 12,252 4,260 8,264 3,271 4,274 572,275 15.19,276 15.19,277 15.19,278 15.19,279 15.19,280 12.969,281 1.747,282 8.904,283 15.143,284 12.328,285 12.328,286 12.328,287 12.328,288 12.328,289 8.894,290 0.589,291 4.209,292 12.217,293 3.866,294 3.104,295 2.357,296 1.327,297 0.588,298 0.294,299 3.85,306 1,307 1,308 389,309 2,313 172.627,317 132.669,320 1.149,321 21.049,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46,333 175,334 4.67,335 3.88,336 6.991,337 4.341,338 3.326,339 4.356,341 11.843,342 3.375,343 4.203,344 3.009,345 6.187,346 3.838,347 2.834,348 3.81,350 9.166,351 2.845,352 3.874,353 2.952,354 6.003,355 3.48,356 2.466,357 3.4,359 8.321,360 2.501,361 3.751,362 2.706,363 5.894,364 3.392,365 2.363,366 3.111,368 7.839,369 2.419,370 3.271,371 2.111,372 4.495,373 2.808,374 1.805,375 2.598,377 4.552,378 1.809,379 2.975,380 1.762,381 4.188,382 2.508,383 1.502,384 2.175,386 3.454,387 1.509,388 2.742,389 1.483,390 4.017,391 2.261,392 1.25,393 1.83,395 3.03,396 1.261,397 2.564,398 1.315,399 3.583,400 2.066,401 1.055,402 1.569,404 2.637,405 1.065,406 2.5,407 1.127,408 3.51,409 2,410 1,411 1.5,413 2.53,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.222,425 1,426 3.246,427 1.566,428 0.457,429 0.752,431 1.089,432 0.502,433 1.183,434 0.128,435 2.737,436 0.786,437 -0.232,438 -0.309,440 -0.593,441 -0.235,442 0.925,443 -0.348,444 2.519,445 0.509,446 -0.51,447 -0.705,449 -1.259,450 -0.518,451 0.669,452 -0.556,453 2.115,454 0.204,455 -0.816,456 -1.201,458 -1.938,459 -0.831,460 0.585,461 -0.739,462 2,463 0.102,464 -0.908,465 -1.329,467 -2.185,468 -0.914,469 10.667,470 0.485,471 0.504,472 0.023,473 34,474 1.545,475 21,476 0.955,477 13,478 0.591,479 12.53,480 0.57,481 20.533,482 0.604,483 23.81,484 1.082,485 6.863,486 0.312,487 3.891,488 0.177,489 0.063,491 0.375,496 0.446,497 0.758,498 0.642,499 0.757,500 0.5,501 0.731,502 0.55,503 0.935,504 0.791,505 0.934,506 0.598,507 0.902,508 0.608,509 0.952,510 0.793,511 0.947,512 0.622,513 0.905,514 1.033,515 1.103,516 0.986,517 1.091,518 1.015,519 1.044,520 1.4,521 1.002,522 1.119,523 0.999,524 1.378,525 1.018,526 1.173,527 0.97,528 1.14,529 0.982,530 1.179,531 1.042,532 0.686,533 1.04,534 0.977,535 1.047,536 0.677,537 1.05,538 1.131,539 1.176,540 1.146,541 1.174,542 1.097,543 1.165,544 3,545 0.012,546 2.889,547 1.75,548 1.493,549 0.806,550 0.484,551 0.203,552 0.123,553 0.068,554 4725,555 12700,556 2.176,557 35.3,559 12,567 1.65,568 2.063,569 2.998,570 -0.896,572 1,575 41.516,576 1.221,577 1.983,578 2.73,579 3.76,580 4.499,581 4.793,582 2.431,583 4.005,584 4.432,585 3.095,586 714.835,587 7.639,588 7478.38,590 1,592 1,593 172.974,594 1.322,595 4.403,596 0.12,597 0.006,598 0.08,599 0.044,600 0.043,601 0.028,602 0.022,603 0.011,604 0.008,605 0.009,606 0.37,607 0.83,608 1,609 0.517,610 98.339,612 0.057,613 0.036,614 0.057,615 -0.048,616 0.052,618 -0.093,619 -0.058,620 -0.093,621 -0.042,622 -0.085,623 0.224,624 -0.026,625 0.098,626 -0.021,627 0.212,628 0.014,629 -0.023,630 -0.153,631 -0.048,632 -0.146,633 -0.004,634 -0.109,635 -0.145,636 -0.006,637 -0.102,638 -0.012,639 -0.124,640 -0.044,641 -0.136,642 0.037,643 -0.108,644 0.026,645 -0.143,646 -0.025,647 0.017,648 -0.057,649 0.018,650 -0.051,651 0.025,652 -0.023,653 -0.052,654 -0.171,655 -0.105,656 -0.168,657 -0.02,658 -0.148,659 2.09,660 5.278,661 0.909,662 15.091,663 0.999,664 1.086,665 4.116,666 16.944,667 0.749,668 3.258,669 3.611,670 3.97,671 4.277,672 4.585,673 4.691,674 4.868,675 4.984,676 5.106,677 5.081,678 4.81,679 0.723,680 284.32,681 3.258,682 4.812,683 5.7,684 6.603,685 7.509,686 8.421,687 9.335,688 10.251,689 11.168,690 12.087,709 12,714 6,716 18,721 2,738 34,739 20,740 3,741 25,743 37,744 20,745 18,746 6,747 12,748 2,752 4,753 7,768 20,772 2,778 2,782 2,786 1,789 12,790 2,792 2,803 0.5,804 2,823 4,827 2,855 2,862 22,886 5.9,889 2,893 10.667,894 6.333,895 4.778,896 2.076,898 3.574,899 1.481,900 1.061,901 2.768,902 11.001,903 3.611,904 4.241,905 4.918,906 5.529,907 6.149,908 6.476,909 6.989,910 7.392,911 7.816,912 8.143,913 1,914 40,915 8.163,917 3.651,918 7.833,919 15.438,921 13.167,924 2.333,925 51.333,929 141.253,930 143.095,933 50.29,936 143.095,937 191.543,941 113.715,942 60.557,943 19.113,945 141.253,947 141.253,948 143.095,949 50.29,952 141.253,953 50.29,957 143.095,960 141.253,961 50.29,962 143.095,965 141.253,966 29.38,967 113.715,969 50.29,970 141.253,971 50.29,972 143.095,973 0.586,974 0.364,975 0.206,976 0.116,977 20,978 8,979 0.027,980 1,981 2,982 1.2,983 3.378,984 188.068,985 0.2,986 20,987 92.107,993 12.731,994 4.784,995 1.929,997 50.29,998 22.938,1003 4.776,1006 334.638,1007 36,1013 24.462,1017 -0.844,1020 33.956,1021 36.91,1022 0.24,1023 0.39,1024 0.537,1025 0.739,1026 0.884,1027 0.942,1028 4.84,1029 1.055,1030 5.694,1031 3.03,1032 4.29,1033 4.927,1035 6.567,1036 4.312,1037 6.066,1038 1,1039 7.29,1040 2.637,1041 3.892,1042 4.663,1044 7.585,1045 3.94,1046 7.385,1047 1,1048 8.993,1049 2.53,1050 5.932,1051 7.153,1053 10.757,1054 5.976,1055 8.744,1056 0.457,1057 10.759,1058 2.136,1059 6.399,1060 7.739,1062 12.605,1063 6.473,1064 10.138,1065 -0.232,1066 12.566,1067 1.089,1068 7.895,1069 9.661,1071 15.302,1072 7.965,1073 11.558,1074 -0.51,1075 14.398,1076 -0.593,1077 8.753,1078 10.659,1080 17.486,1081 8.851,1082 12.998,1083 -0.816,1084 16.249,1085 -1.259,1086 10.042,1087 12.331,1089 20.029,1090 10.142,1091 3.326,1092 -0.908,1093 18.113,1094 -1.938,1095 11.08,1096 13.543,1098 22.364,1099 11.203,1100 2.834,1101 11.843,1102 19.988,1103 -2.185,1104 12.294,1105 15.099,1107 24.855,1108 12.425,1109 2.466,1110 9.166,1111 21.87,1112 4.356,1113 13.414,1114 16.426,1116 27.261,1117 13.565,1118 2.363,1119 8.321,1120 23.76,1121 3.81,1122 14.605,1123 17.927,1125 29.736,1126 14.768,1127 1.805,1128 7.839,1129 25.656,1130 3.4,1131 15.763,1132 19.317,1134 32.175,1135 15.943,1136 1.502,1137 4.552,1138 27.556,1139 3.111,1140 16.95,1141 20.794,1143 34.645,1144 17.144,1145 1.25,1146 3.454,1147 29.462,1148 2.598,1149 18.126,1150 22.217,1152 37.101,1153 18.337,1154 4457,1155 7410,1156 17.107,1157 25.477,1158 38.863,1159 40.469,1160 39.36,1161 38.165,1162 38.114,1163 53.202,1165 113.193,1166 38.574,1167 5.552,1168 5.88,1169 6.793,1170 5.341,1171 5.326,1172 7.356,1174 19.843,1175 5.375,1176 7.793,1177 1.555,1178 1.619,1179 1.574,1180 1.527,1181 1.525,1182 2.128,1184 4.528,1185 1.543,1186 4.099,1187 4.11,1188 4.067,1189 4.056,1190 7.497,1191 4.056,1192 3.89,1193 3.914,1194 3.83,1195 3.84,1196 7.352,1197 3.834,1198 3.672,1199 3.702,1200 3.599,1201 3.614,1202 4.847,1203 3.607,1204 3.383,1205 3.377,1206 3.348,1207 3.219,1208 4.705,1209 3.248,1210 2.947,1211 2.992,1212 2.861,1213 2.867,1214 4.497,1215 2.858,1216 2.919,1217 2.958,1218 2.819,1219 2.82,1220 3.738,1221 2.813,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.691,1227 2.715,1228 2.721,1229 2.769,1230 2.606,1231 2.577,1232 3.674,1233 2.575,1234 0.187,1235 0.155,1236 0.28,1237 0.174,1238 0.133,1239 4.67,1240 0.174,1241 3.88,1243 6.991,1244 0.474,1245 4.341,1246 0.135,1247 3.326,1248 4.356,1250 11.843,1251 3.375,1252 2.067,1253 2.056,1254 2.134,1255 2.122,1256 1.285,1257 2.125,1258 1.896,1259 1.873,1260 2.006,1261 1.968,1262 1.092,1263 1.982,1264 1.682,1265 1.653,1266 1.815,1267 1.766,1268 0.89,1269 1.784,1270 1.285,1271 1.285,1272 1.366,1273 1.477,1274 0.399,1275 1.435,1276 0.963,1277 0.921,1278 1.188,1279 1.093,1280 0.272,1281 1.128,1282 0.919,1283 0.88,1284 1.181,1285 1.062,1286 0.221,1287 1.107,1288 0.886,1289 0.821,1290 1.139,1291 1.062,1292 0.218,1293 1.087,1294 0.71,1295 0.661,1296 0.981,1297 0.903,1298 0.031,1299 0.931,1300 3.932,1302 5.273,1304 6.845,1306 8.521,1308 10.253,1326 24.59,1327 41.516,1328 67.425,1329 92.835,1330 127.854,1331 152.974,1332 162.974,1333 35.036,1334 7.427,1335 34.14,1336 34.14,1337 24,1338 12.597,1339 4.392,1340 3.585,1341 29.733,1342 63,1343 66,1344 0.238,1345 148.835,1346 260.96,1347 354.917,1348 15641,1350 15.104,1351 0.687,1352 0.534,1353 15.104,1354 11.745,1355 10.754,1356 0.43,1357 0.285,1358 7.107,1359 10.628,1360 6.944,1361 5.739,1362 10.754,1363 7.134,1364 9.629,1365 0.267,1366 0.148,1367 9.629,1368 5.33,1369 8.917,1370 0.171,1371 0.078,1372 8.917,1373 4.039,1374 7.594,1375 0.107,1376 0.041,1377 7.594,1378 2.936,1379 6.543,1380 0.067,1381 0.022,1382 6.543,1383 2.13,1384 0.357,1385 65.679,1386 0.242,1387 21.082,1388 0.708,1389 122,1390 331.471,1391 126.207,1392 329.731,1393 455.66,1394 308,1395 149,1396 335.273,1397 153.761,1398 345.969,1399 512.73,1400 328,1401 5.756}
{0 CHEMBL1498599,1 2.019,2 9.8,3 3.409,4 11.619,5 98.3,6 10.022,7 0.593,8 3.793,9 3.875,10 3.633,11 3.362,12 5.102,13 3.347,14 4.251,15 4.364,16 4.009,17 3.757,18 5.615,19 3.712,20 4.465,21 4.633,22 4.09,23 3.855,24 5.623,25 3.774,26 4.48,27 4.634,28 4.134,29 3.758,30 5.868,31 3.73,32 4.431,33 4.574,34 4.049,35 3.701,36 5.865,37 3.681,38 4.396,39 4.545,40 3.92,41 3.691,42 5.646,43 3.662,44 4.435,45 4.596,46 3.826,47 3.6,48 5.714,49 3.588,50 4.325,51 4.471,52 3.789,53 3.41,54 5.903,55 3.41,56 0.292,57 0.579,58 4.349,59 3.283,60 18.447,61 3.24,62 0.439,63 0.897,64 9.135,65 5.833,66 59.459,67 5.741,68 0.565,69 1.073,70 23.345,71 8.287,72 55.443,73 8.57,74 0.735,75 1.059,76 21.962,77 7.239,78 60.554,79 7.28,80 0.808,81 0.958,82 18.99,83 6.653,84 85.817,85 6.378,86 0.551,87 0.967,88 15.975,89 6.67,90 57.755,91 6.167,92 0.732,93 0.935,94 16.344,95 6.159,96 71.625,97 5.34,98 0.848,99 0.753,100 17.743,101 5.564,102 99.196,103 4.521,104 24,105 37,106 0.358,107 0.703,108 0.81,109 0.855,110 0.855,111 0.855,112 3.268,113 0.946,114 -4.25,115 -4.19,116 -3.96,120 39.5,122 1,126 2,143 5,145 5,147 2,167 4,174 2,176 2,182 3,185 7,188 1,189 3,192 1,197 6,200 4,201 6,204 3,205 1,206 1,209 3,213 4,214 4,217 2,222 3,227 11,232 3,235 1,240 8,243 1,245 2,247 1,252 7,255 3,257 1,260 2,264 6,267 2,269 1,271 2,274 910,275 16.922,276 16.922,277 16.922,278 16.922,279 16.922,280 14.692,281 16.988,282 10.237,283 17.449,284 13.315,285 13.315,286 13.315,287 13.315,288 13.315,289 9.97,290 20.855,291 4.826,292 14.258,293 3.229,294 1.282,295 0.674,296 0.421,297 0.421,298 0.421,299 3.948,303 1,305 1,306 1,307 1,308 513,309 3.391,312 55.028,313 142.398,316 101.421,320 1.408,321 33.603,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 56.333,333 245,334 4.723,335 4.573,336 6.945,337 4.242,338 3.28,339 4.689,340 2.95,341 11.726,342 3.152,343 4.093,344 3.832,345 6.144,346 3.61,347 2.693,348 3.695,349 2.612,350 8.862,351 2.466,352 3.971,353 3.259,354 5.52,355 3.461,356 2.516,357 3.587,358 0.4,359 7.327,360 2.349,361 3.613,362 2.885,363 5.274,364 3.16,365 2.235,366 3.025,368 6.539,369 2.071,370 3.43,371 2.695,372 4.887,373 2.913,374 2.02,375 2.728,377 5.625,378 1.738,379 3.237,380 2.447,381 4.647,382 2.688,383 1.744,384 2.518,386 4.498,387 1.603,388 2.709,389 1.851,390 3.905,391 2.512,392 1.547,393 1.744,395 3.143,396 1.485,397 2.566,398 1.456,399 3.588,400 2.113,401 1.131,402 1.58,404 2.633,405 1.109,406 2.5,407 1.201,408 3.451,409 2,410 1,411 1.5,413 2.275,414 1,415 2.22,416 1.039,417 3.414,418 1.762,419 0.834,420 1.114,422 2.092,423 0.766,424 1.807,425 1,426 3.099,427 1.561,428 0.659,429 0.736,431 1.22,432 0.587,433 1.537,434 1,435 2.909,436 1.076,437 0.196,438 0.254,440 0.502,441 0.159,442 1.214,443 0.951,444 2.561,445 0.827,446 -0.072,447 -0.086,449 -0.15,450 -0.062,451 1,452 0.487,453 2.387,454 0.531,455 -0.344,456 -0.4,458 -0.714,459 -0.271,460 0.849,461 0.207,462 2,463 0.109,464 -0.768,465 -0.888,467 -1.779,468 -0.602,469 11.981,470 0.479,471 0.575,472 0.023,473 34.25,474 1.37,475 18,476 0.72,477 16.25,478 0.65,479 18.601,480 0.744,481 27.019,482 0.711,483 25.24,484 1.01,485 6.754,486 0.27,487 5.342,488 0.214,489 0.143,491 0.326,496 0.52,497 0.926,498 0.59,499 0.707,500 0.604,501 0.751,502 0.673,503 1.112,504 0.713,505 0.88,506 0.532,507 0.9,508 0.736,509 1.08,510 1.087,511 1.114,512 0.634,513 0.925,514 0.773,515 1.023,516 0.971,517 1.094,518 0.804,519 0.903,520 0.886,521 0.95,522 0.64,523 0.825,524 1.12,525 0.876,526 1.004,527 1.25,528 0.868,529 1.155,530 0.996,531 1.082,532 1.396,533 1.102,534 0.988,535 0.932,536 1.21,537 1.041,538 1.441,539 1.012,540 1.217,541 1.056,542 1.241,543 1.1,544 4.5,545 0.095,546 2.444,547 1.618,548 1.653,549 1,550 0.571,551 0.445,552 0.267,553 0.166,554 6362,555 26280,556 2.038,557 34.2,559 9,562 2,565 2,567 1.687,568 1.899,569 3.23,570 0.431,572 1,575 76.712,576 2.019,577 3.966,578 4.574,579 4.827,580 4.827,581 4.827,582 2.679,583 3.943,584 4.608,585 3.369,586 1010.55,587 8.009,588 12053.7,589 1,590 1,592 1,593 199.421,594 1.44,595 4.569,596 0.167,597 0.011,598 0.066,599 0.043,600 0.042,601 0.028,602 0.017,603 0.015,604 0.011,605 0.01,606 0.409,607 0.17,608 1,609 1.458,610 119.148,611 0.187,612 0.221,613 0.021,614 0.18,615 -0.012,616 0.066,617 0.028,618 -0.031,619 0.049,620 0.089,621 0.138,622 0.015,623 -0.02,624 -0.038,625 0.021,626 0.027,627 -0.006,628 0.131,629 0.145,630 0.046,631 0.039,632 -0.04,633 0.076,634 0.055,635 0.122,636 0.058,637 0.126,638 0.104,639 -0.004,640 0.045,641 -0.164,642 -0.213,643 -0.074,644 -0.182,645 -0.14,646 -0.135,647 -0.347,648 -0.099,649 -0.194,650 -0.061,651 -0.244,652 -0.144,653 -0.166,654 -0.053,655 -0.216,656 -0.134,657 0.061,658 -0.208,659 2.523,660 4.459,661 0.6,662 22.256,663 1.04,664 1.126,665 3.023,666 9.136,667 0.715,668 3.332,669 3.638,670 3.912,671 4.22,672 4.443,673 4.564,674 4.673,675 4.787,676 4.771,677 4.762,678 5.704,679 0.7,680 380.84,681 3.332,682 4.86,683 5.707,684 6.592,685 7.469,686 8.367,687 9.258,688 10.162,689 11.06,690 11.969,691 10.5,696 1,701 2,702 1,708 2,709 5,710 2,712 1,714 5,716 16,729 1,731 1,737 1,738 38,739 18,740 2,741 27,743 40,744 15,745 12,746 7,747 5,752 3,753 4,754 1,759 1,766 1,768 12,769 3,772 2,775 1,778 2,785 1,786 1,789 13,790 7,791 2,792 10,793 2,797 4,803 0.667,804 4,805 1,822 1,823 2,826 1,853 1,855 2,856 1,857 1,860 1,862 25,868 1,869 3,871 1,873 1,885 1,886 10.5,887 1,891 1,892 2,893 13.167,894 6.776,895 5.639,896 2.162,898 3.093,899 1.436,900 0.943,901 5.754,902 10.191,903 3.638,904 4.273,905 4.876,906 5.541,907 6.079,908 6.451,909 6.845,910 7.257,911 7.479,912 7.762,913 0.857,914 38,915 9.182,917 3.937,918 8.144,919 16.832,921 13.479,924 2.644,925 66.111,929 129.482,930 100.645,931 62.874,932 39.149,933 103.391,935 32.22,936 68.425,937 272.022,938 62.874,939 5.67,940 4.64,941 90.065,942 57.204,943 26.365,945 161.702,946 89.896,947 129.482,948 131.299,949 103.391,950 71.368,952 105.94,953 33.503,954 93.43,956 8.929,957 59.497,958 102.023,959 32.22,960 129.482,961 166.265,962 139.794,965 129.482,966 53.264,967 53.051,968 18.011,969 181.733,970 129.482,971 166.265,972 139.794,973 0.569,974 0.328,975 0.186,976 0.106,977 17,978 8,979 0.175,980 7,981 1,982 1.133,983 3.615,984 206.537,985 0.133,986 15,987 110.096,989 1,993 17.95,994 8.015,995 4.042,996 0.398,997 160.595,998 8.836,999 7.501,1001 4.727,1003 2.278,1005 60.694,1006 435.541,1007 37,1010 -0.523,1013 22.918,1020 39.535,1021 42.771,1022 0.385,1023 0.756,1024 0.872,1025 0.92,1026 0.92,1027 0.92,1028 4.852,1029 1.131,1030 5.687,1031 3.143,1032 4.317,1033 4.959,1034 3.399,1035 6.512,1036 4.187,1037 6.073,1038 1,1039 7.249,1040 2.633,1041 3.892,1042 4.89,1043 2.361,1044 7.473,1045 3.658,1046 7.395,1047 0.834,1048 8.918,1049 2.275,1050 5.905,1051 7.252,1052 5.372,1053 10.616,1054 5.665,1055 8.76,1056 0.659,1057 10.653,1058 2.092,1059 6.33,1060 8.041,1061 4.506,1062 12.461,1063 6.011,1064 10.159,1065 0.196,1066 12.432,1067 1.22,1068 7.807,1069 9.877,1070 7.439,1071 15.136,1072 7.478,1073 11.584,1074 -0.072,1075 14.242,1076 0.502,1077 8.631,1078 11.06,1079 6.556,1080 17.343,1081 8.247,1082 13.029,1083 -0.344,1084 16.075,1085 -0.15,1086 9.905,1087 12.703,1088 9.539,1089 19.87,1090 9.504,1091 3.28,1092 -0.768,1093 17.927,1094 -0.714,1095 10.919,1096 14.075,1097 8.548,1098 22.226,1099 10.477,1100 2.693,1101 11.726,1102 19.794,1103 -1.779,1104 12.12,1105 15.646,1106 11.658,1107 24.705,1108 11.655,1109 2.516,1110 8.862,1111 21.672,1112 4.689,1113 13.224,1114 17.107,1115 10.509,1116 27.122,1117 12.721,1118 2.235,1119 7.327,1120 23.56,1121 3.695,1122 14.403,1123 18.654,1124 13.789,1125 29.586,1126 13.872,1127 2.02,1128 6.539,1129 25.455,1130 3.587,1131 15.548,1132 20.157,1133 12.452,1134 32.028,1135 14.982,1136 1.744,1137 5.625,1138 27.357,1139 3.025,1140 16.723,1141 21.697,1142 15.928,1143 34.489,1144 16.126,1145 1.547,1146 4.498,1147 29.265,1148 2.728,1149 17.888,1150 23.221,1151 14.386,1152 36.941,1153 17.255,1154 6357,1155 13078,1156 17.8,1157 27.153,1158 39.92,1159 43.36,1160 41.789,1161 39.888,1162 39.707,1163 54.342,1164 11.925,1165 112.88,1166 36.969,1167 5.575,1168 6.573,1169 6.853,1170 5.379,1171 5.28,1172 7.689,1173 5.9,1174 19.285,1175 5.152,1176 12.905,1177 1.479,1178 1.606,1179 1.548,1180 1.477,1181 1.471,1182 2.013,1183 0.442,1184 4.181,1185 1.369,1186 4.111,1187 4.132,1188 4.193,1189 3.997,1190 7.815,1191 3.997,1192 3.87,1193 3.889,1194 3.99,1195 3.819,1196 6.999,1197 3.81,1198 3.644,1199 3.71,1200 3.687,1201 3.449,1202 6.456,1203 3.446,1204 3.561,1205 3.58,1206 3.521,1207 3.159,1208 5.381,1209 3.206,1210 3.289,1211 3.332,1212 3.472,1213 3.049,1214 4.937,1215 3.075,1216 3.038,1217 3.083,1218 3.188,1219 2.845,1220 4.5,1221 2.851,1222 2.856,1223 2.925,1224 2.975,1225 2.735,1226 4.297,1227 2.715,1228 2.854,1229 2.877,1230 2.687,1231 2.656,1232 3.999,1233 2.665,1234 0.175,1235 0.169,1236 0.257,1237 0.157,1238 0.121,1239 4.723,1240 0.174,1241 4.573,1242 0.109,1243 6.945,1244 0.434,1245 4.242,1246 0.117,1247 3.28,1248 4.689,1249 2.95,1250 11.726,1251 3.152,1252 1.949,1253 1.935,1254 1.979,1255 2.096,1256 1.21,1257 2.054,1258 1.845,1259 1.825,1260 1.929,1261 1.918,1262 1.118,1263 1.938,1264 1.598,1265 1.534,1266 1.833,1267 1.827,1268 1.026,1269 1.83,1270 1.234,1271 1.221,1272 1.346,1273 1.642,1274 0.493,1275 1.542,1276 1.055,1277 0.984,1278 1.226,1279 1.436,1280 0.236,1281 1.373,1282 0.886,1283 0.844,1284 1.181,1285 1.366,1286 0.218,1287 1.248,1288 0.854,1289 0.821,1290 0.998,1291 1.062,1292 0.113,1293 1.107,1294 0.802,1295 0.784,1296 0.893,1297 1.018,1298 0.012,1299 1.02,1300 4.007,1302 5.313,1303 2.398,1304 6.817,1305 4.595,1306 8.427,1307 6.629,1308 10.103,1311 5.892,1314 8.907,1315 0.839,1317 2.967,1319 1.371,1326 26.593,1327 76.712,1328 150.692,1329 173.812,1330 183.421,1331 183.421,1332 183.421,1333 54.054,1334 7.098,1335 117,1336 142.3,1337 17,1338 12.487,1339 4.248,1340 3.459,1341 41.472,1342 84,1343 98,1344 0.247,1345 171.682,1346 290.04,1347 410.664,1348 10098,1349 2.6,1350 17.811,1351 0.712,1352 0.575,1353 18.665,1354 14.38,1355 12.097,1356 0.448,1357 0.315,1358 7.282,1359 10.656,1360 7.094,1361 5.844,1362 12.793,1363 8.511,1364 10.693,1365 0.289,1366 0.178,1367 11.77,1368 6.601,1369 8.594,1370 0.175,1371 0.095,1372 9.64,1373 4.642,1374 7.42,1375 0.111,1376 0.049,1377 8.426,1378 3.29,1379 5.942,1380 0.071,1381 0.03,1382 7.213,1383 2.506,1384 0.376,1385 84.805,1386 0.237,1387 23.96,1388 0.71,1389 128,1390 495.688,1391 184.854,1392 519.001,1393 680.77,1394 478,1395 150,1396 466.949,1397 198.465,1398 482.89,1399 697.08,1400 452,1401 5.318}
{0 CHEMBL1499951,1 1.931,2 5.438,3 1.569,4 2.463,5 59.405,6 10.376,7 0.353,8 3.292,9 3.371,10 3.12,11 2.858,12 4.657,13 2.877,14 3.763,15 3.874,16 3.528,17 3.245,18 5.282,19 3.261,20 3.97,21 4.075,22 3.775,23 3.409,24 5.391,25 3.421,26 4.102,27 4.198,28 3.894,29 3.327,30 5.975,31 3.349,32 3.854,33 4.021,34 3.233,35 3.013,36 5.308,37 2.979,38 3.669,39 3.863,40 2.458,41 2.411,42 5.208,43 2.376,44 2.614,45 2.813,46 1.469,47 1.237,48 4.234,49 1.329,50 1.253,51 1.366,52 0.202,53 0.297,54 2.708,55 0.32,56 0.169,57 0.334,58 1.705,59 1.756,60 15.17,61 1.737,62 0.346,63 0.507,64 4.948,65 2.971,66 52.579,67 2.971,68 0.378,69 0.588,70 6.203,71 3.9,72 49.474,73 3.868,74 0.796,75 0.565,76 11.745,77 4.425,78 127.029,79 3.824,80 0.423,81 0.459,82 10.148,83 3.753,84 51.661,85 3.779,86 0.597,87 0.293,88 15.281,89 3.307,90 97.657,91 2.785,92 0.226,93 0.095,94 4.014,95 0.966,96 41.18,97 0.666,98 0.06,99 0.015,100 0.73,101 0.178,102 12.668,103 0.006,104 27,105 25,106 0.39,107 0.713,108 0.766,109 0.836,110 0.854,111 0.854,112 2.857,113 0.853,114 -3.89,115 -3.84,116 -3.65,120 43.5,125 1,139 2,143 4,144 1,145 1,159 1,167 2,174 4,176 2,177 2,185 5,188 2,189 4,197 3,200 4,201 10,209 2,214 6,222 1,227 6,240 2,274 174,275 10.312,276 10.312,277 10.312,278 10.312,279 10.312,280 8.914,281 11.403,282 5.838,283 10.527,284 8.3,285 8.3,286 8.3,287 8.3,288 8.3,289 6.167,290 14.552,291 2.671,292 8.672,293 2.592,294 0.989,295 0.728,296 0.381,297 0.294,298 0.294,299 3.493,303 1,306 1,307 1,308 177,309 2.449,313 69.688,317 59.961,320 0.867,321 27.844,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 36.333,333 87,334 4.677,335 3.983,336 7.023,337 4.281,338 3.325,339 4.298,340 2.612,341 11.854,342 3.164,343 4.068,344 3.521,345 6.213,346 3.588,347 2.612,348 3.648,349 1.2,350 8.932,351 2.554,352 3.619,353 3.059,354 5.86,355 3.285,356 2.352,357 2.819,358 0.293,359 7.608,360 2.163,361 3.352,362 2.628,363 4.649,364 2.666,365 1.706,366 2.599,368 4.271,369 1.607,370 2.892,371 1.76,372 3.93,373 2.407,374 1.403,375 2.039,377 3.107,378 1.405,379 2.563,380 1.285,381 3.71,382 1.983,383 1.02,384 1.523,386 2.538,387 0.954,388 1.896,389 1.049,390 3.411,391 1.478,392 0.54,393 0.657,395 1.3,396 0.464,397 1.313,398 1,399 2.802,400 0.853,401 -0.111,402 -0.154,404 -0.277,405 -0.097,406 1,407 0.991,408 2,409 0.283,410 -0.609,411 -0.732,413 -1.405,414 -0.483,415 0.731,416 -0.309,417 2,418 0.081,419 -0.888,420 -1.216,422 -2,423 -0.851,424 0.564,425 -0.592,426 1.838,428 -1,429 -1.67,431 -2.127,432 -1,434 -0.789,435 1.509,436 -0.354,437 -1.338,438 -1.928,440 -3.484,441 -1.254,442 -0.251,443 -1.136,444 1.33,445 -0.689,446 -1.526,447 -2,449 -4.507,450 -1.32,451 -0.444,452 -1.381,453 1.239,454 -0.754,455 -1.658,456 -2,457 -0.4,458 -5.254,459 -1.623,460 -0.5,461 -1.596,462 1.164,463 -0.871,464 -1.827,465 -2.175,466 -0.612,467 -5.858,468 -1.736,469 7.514,470 0.47,471 0.549,472 0.034,473 23,474 1.438,475 12.5,476 0.781,477 10.5,478 0.656,479 9.344,480 0.584,481 17.086,482 0.743,483 15.937,484 0.996,485 4.701,486 0.294,487 2.836,488 0.177,489 0.295,491 0.439,496 0.404,497 1.175,498 0.473,499 0.803,500 0.502,501 0.793,502 0.545,503 0.976,504 0.537,505 0.673,506 0.448,507 0.666,508 0.674,509 1.137,510 0.696,511 0.991,512 0.69,513 0.896,514 0.755,515 1.051,516 1.089,517 1.208,518 0.833,519 1.124,520 1.065,521 1.181,522 1.216,523 1.309,524 0.878,525 1.316,526 2.046,527 0.678,528 1.893,529 1.092,530 2.046,531 1.22,532 2.461,533 0.337,534 0.952,535 0.327,536 2.753,537 0.598,538 4.004,540 1.777,541 0.029,542 4.719,543 0.94,544 3,546 2.444,547 2.125,548 1.529,549 0.528,550 0.122,551 0.056,554 1507,555 6870,556 1.923,557 30.4,559 7,567 1.563,568 1.714,569 2.486,570 -0.612,574 1,575 44.416,576 1.931,577 3.534,578 3.795,579 4.143,580 4.23,581 4.23,582 1.936,583 3.031,584 3.976,585 2.534,586 304.038,587 6.747,588 2584.2,590 1,593 104.042,594 1.546,595 3.873,596 0.176,598 0.098,599 0.073,600 0.059,601 0.035,602 0.02,603 0.028,606 0.49,607 0.67,608 1,609 1.024,610 61.63,611 0.176,612 -0.019,613 0.022,614 0.03,615 -0.006,616 -0.022,617 0.133,618 0.118,619 0.112,620 0.209,621 0.174,622 0.202,623 0.058,624 -0.103,625 0.127,626 -0.069,627 -0.021,628 -0.004,629 0.349,630 -0.118,631 0.07,632 -0.228,633 0.267,634 -0.224,635 -0.181,636 -0.271,637 -0.158,638 -0.33,639 -0.041,640 -0.264,641 -0.646,642 0.048,643 -0.51,644 -0.011,645 -0.525,646 -0.052,647 -0.793,648 0.387,649 -0.024,650 0.67,651 -0.722,652 0.548,653 -1.694,654 0.608,655 -0.871,656 0.98,657 -1.736,658 0.03,659 2.753,660 4.682,661 0.625,662 7.625,663 1.05,664 1.122,665 2.656,666 7.056,667 0.718,668 2.89,669 3.258,670 3.584,671 3.85,672 4.007,673 3.97,674 3.912,675 3.714,676 3.526,677 2.944,678 3.515,679 0.722,680 238.64,681 2.89,682 4.443,683 5.323,684 6.232,685 7.132,686 8.045,687 8.95,688 9.864,689 10.771,690 11.685,691 8.7,698 1,703 1,709 4,714 2,716 6,738 23,739 10,740 1,741 17,743 24,744 10,745 6,746 2,747 4,748 3,749 1,752 2,753 3,754 1,768 9,769 1,771 1,772 4,775 1,778 3,782 3,786 1,789 7,790 4,792 6,793 1,797 2,803 0.5,804 3,823 2,827 1,839 1,845 2,850 1,855 1,859 1,860 1,862 16,875 1,885 1,886 13,889 1,892 2,893 9.333,894 4.626,895 3.528,896 1.244,898 1.937,899 1.323,900 0.95,901 2.598,902 7.926,903 3.219,904 3.839,905 4.404,906 4.955,907 5.387,908 5.616,909 5.895,910 6.06,911 6.193,912 5.768,913 0.75,914 29,915 5.901,917 2.613,918 8.465,919 10.45,921 8.348,924 2.965,925 47.444,926 0.001,929 82.398,930 63.206,931 8.794,932 39.149,933 75.892,936 63.206,937 197.438,938 8.794,939 14.066,940 3.124,941 37.905,942 36.107,943 5.942,945 82.398,946 89.896,947 82.398,948 72,949 75.892,950 39.149,952 82.398,953 25.145,954 50.747,956 3.124,957 62.618,958 45.406,960 82.398,961 84.686,962 102.354,965 82.398,966 16.904,967 55.096,969 115.04,970 82.398,971 84.686,972 102.354,973 0.598,974 0.377,975 0.212,976 0.105,977 13,978 7,979 0.042,980 1,981 1,982 1.2,983 2.602,984 112.642,985 0.2,986 10,987 62,993 10.955,994 3.794,995 1.588,997 79.016,998 6.781,1003 1.07,1006 269.438,1007 24,1010 -0.753,1013 33.174,1017 -1.389,1020 24.16,1021 25.814,1022 0.427,1023 0.781,1024 0.839,1025 0.916,1026 0.935,1027 0.935,1028 4.472,1029 -0.111,1030 5.361,1031 1.3,1032 3.932,1033 4.522,1034 2.713,1035 6.271,1036 3.842,1037 5.724,1038 -0.609,1039 6.999,1040 -0.277,1041 3.761,1042 4.543,1043 2.396,1044 7.398,1045 3.596,1046 7.075,1047 -0.888,1048 8.741,1049 -1.405,1050 5.617,1051 6.762,1052 4.208,1053 10.56,1054 5.441,1055 8.464,1056 -1,1057 10.54,1058 -2,1059 6.236,1060 7.555,1061 4.517,1062 12.463,1063 5.98,1064 9.883,1065 -1.338,1066 12.375,1067 -2.127,1068 7.64,1069 9.305,1070 5.96,1071 15.178,1072 7.368,1073 11.324,1074 -1.526,1075 14.232,1076 -3.484,1077 8.592,1078 10.44,1079 6.558,1080 17.394,1081 8.248,1082 12.783,1083 -1.658,1084 16.105,1085 -4.507,1086 9.846,1087 12.013,1088 7.797,1089 19.957,1090 9.473,1091 3.325,1092 -1.827,1093 17.99,1094 -5.254,1095 10.939,1096 13.308,1097 8.549,1098 22.311,1099 10.502,1100 2.612,1101 11.854,1102 19.884,1103 -5.858,1104 12.145,1105 14.809,1106 9.67,1107 24.817,1108 11.669,1109 2.352,1110 8.932,1111 21.785,1112 4.298,1113 13.297,1114 16.181,1115 10.509,1116 27.235,1117 12.763,1118 1.706,1119 7.608,1120 23.693,1121 3.648,1122 14.493,1123 17.652,1124 11.563,1125 29.719,1126 13.913,1127 1.403,1128 4.271,1129 25.605,1130 2.819,1131 15.67,1132 19.063,1133 12.452,1134 32.166,1135 15.036,1136 1.02,1137 3.107,1138 27.522,1139 2.599,1140 16.865,1141 20.521,1142 13.468,1143 34.642,1144 16.182,1145 0.54,1146 2.538,1147 29.443,1148 2.039,1149 18.054,1150 21.952,1151 14.386,1152 37.102,1153 17.318,1154 1630,1155 3574,1156 10.463,1157 16.517,1158 26.369,1159 28.43,1160 28.417,1161 26.038,1162 25.916,1163 35.166,1164 8.211,1165 79.218,1166 24.623,1167 5.55,1168 5.983,1169 6.702,1170 5.32,1171 5.325,1172 7.298,1173 4.612,1174 19.854,1175 5.164,1176 9.58,1177 1.551,1178 1.672,1179 1.672,1180 1.532,1181 1.524,1182 2.069,1183 0.483,1184 4.66,1185 1.448,1186 4.04,1187 4.061,1188 4.106,1189 3.938,1190 7.816,1191 3.946,1192 3.707,1193 3.73,1194 3.688,1195 3.469,1196 7.426,1197 3.504,1198 3.378,1199 3.443,1200 3.447,1201 3.072,1202 6.999,1203 3.1,1204 3.063,1205 3.086,1206 3.294,1207 2.782,1208 4.874,1209 2.841,1210 2.832,1211 2.894,1212 2.736,1213 2.631,1214 4.568,1215 2.614,1216 2.717,1217 2.728,1218 2.629,1219 2.47,1220 4.039,1221 2.539,1222 2.396,1223 2.428,1224 2.515,1225 2.239,1226 3.607,1227 2.225,1228 1.568,1229 1.737,1230 1.805,1231 1.176,1232 3.444,1233 1.14,1234 0.275,1235 0.234,1236 0.413,1237 0.252,1238 0.196,1239 4.677,1240 0.253,1241 3.983,1242 0.154,1243 7.023,1244 0.697,1245 4.281,1246 0.186,1247 3.325,1248 4.298,1249 2.612,1250 11.854,1251 3.164,1252 1.968,1253 1.948,1254 2.037,1255 2.103,1256 1.173,1257 2.073,1258 1.549,1259 1.528,1260 1.661,1261 1.849,1262 0.703,1263 1.77,1264 1.264,1265 1.184,1266 1.504,1267 1.59,1268 0.558,1269 1.583,1270 0.902,1271 0.874,1272 1.135,1273 1.207,1274 0.191,1275 1.168,1276 0.81,1277 0.743,1278 0.977,1279 1.041,1281 1.072,1282 0.59,1283 0.592,1284 0.695,1285 0.847,1287 0.818,1288 0.283,1289 0.261,1290 0.361,1291 0.496,1293 0.512,1296 0.281,1297 0.049,1299 0.143,1300 3.555,1302 4.905,1304 6.482,1306 8.168,1308 9.913,1310 1.48,1311 5.859,1321 1.222,1326 16.595,1327 44.416,1328 81.287,1329 87.287,1330 95.287,1331 97.287,1332 97.287,1333 35.2,1334 5.989,1335 67.82,1336 67.82,1337 12,1338 12.199,1339 3.459,1340 3,1341 25.596,1342 37,1343 24,1344 0.412,1345 108.253,1346 193.68,1347 255.897,1348 2225,1349 4.3,1350 11.87,1351 0.742,1352 0.566,1353 12.37,1354 9.062,1355 7.537,1356 0.443,1357 0.284,1358 4.396,1359 6.855,1360 4.256,1361 3.529,1362 7.825,1363 4.832,1364 7.011,1365 0.28,1366 0.147,1367 7.344,1368 3.679,1369 6.039,1370 0.173,1371 0.079,1372 6.445,1373 2.782,1374 5.213,1375 0.113,1376 0.042,1377 5.764,1378 1.909,1379 3.71,1380 0.069,1381 0.023,1382 3.992,1383 1.22,1384 0.585,1385 51.493,1386 0.309,1387 15.354,1388 1.339,1389 84,1390 344.7,1391 110.325,1392 356.055,1393 455.78,1394 324,1395 102,1396 307.033,1397 127.545,1398 314.005,1399 459.24,1400 292,1401 5.366}
{0 CHEMBL1500020,1 1.327,2 10.885,3 4.614,4 21.293,5 106.689,6 7.05,7 0.586,8 3.978,9 4.086,10 3.51,11 3.578,12 5.038,13 3.538,14 4.504,15 4.668,16 3.841,17 3.974,18 5.482,19 3.913,20 4.75,21 4.935,22 3.924,23 4.15,24 5.677,25 4.053,26 4.867,27 5.086,28 3.831,29 4.149,30 5.757,31 4.014,32 4.89,33 5.144,34 3.804,35 4.084,36 5.72,37 3.95,38 4.816,39 5.045,40 3.721,41 3.995,42 5.768,43 3.869,44 4.729,45 4.979,46 3.482,47 3.89,48 5.575,49 3.729,50 4.596,51 4.878,52 3.272,53 3.687,54 5.382,55 3.524,56 0.046,57 0.626,58 10.507,59 4.807,60 9.553,61 6.246,62 0.153,63 1.065,64 19.074,65 7.817,66 17.881,67 10.387,68 0.155,69 1.329,70 24.719,71 10.591,72 21.455,73 14.231,74 0.23,75 1.469,76 28.782,77 12.087,78 32.641,79 16.525,80 0.191,81 1.506,82 30.343,83 12.119,84 29.2,85 16.917,86 0.438,87 1.369,88 28.553,89 10.771,90 47.477,91 14.513,92 0.228,93 1.254,94 26.11,95 10.308,96 33.824,97 14.107,98 0.254,99 1.075,100 23.734,101 8.973,102 31.615,103 12.347,104 6,105 40,106 0.223,107 0.549,108 0.736,109 0.843,110 0.867,111 0.874,112 3.304,113 0.931,114 -4.92,115 -4.83,116 -4.53,120 46.9,122 1,125 1,126 3,136 1,137 1,143 10,144 4,145 2,174 16,177 5,182 2,185 21,189 4,194 2,197 17,201 6,204 1,206 2,209 10,214 5,219 1,222 5,226 1,227 4,230 1,232 3,235 8,240 1,245 1,247 10,252 2,257 1,260 11,264 1,269 2,271 12,274 980,275 18.024,276 18.024,277 18.024,278 18.024,279 18.024,280 15.74,281 16.367,282 10.667,283 18.344,284 14.264,285 14.264,286 14.264,287 14.264,288 14.264,289 10.861,290 18.273,291 5.005,292 14.693,293 4.287,294 2.354,295 1.239,296 0.602,297 0.464,298 0.424,299 4.007,306 1,307 1,308 621,309 2.449,313 293.546,317 113.837,320 1.604,321 15.245,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.5,333 283,334 4.587,335 3.323,336 6.692,337 4.142,338 3.154,339 4.524,340 0.995,341 10.832,342 3.117,343 4.213,344 3.06,345 6.143,346 3.859,347 2.865,348 3.734,349 0.86,350 9.054,351 2.85,352 3.86,353 2.826,354 5.69,355 3.486,356 2.532,357 3.34,358 0.359,359 7.644,360 2.413,361 3.564,362 2.645,363 5.282,364 3.276,365 2.339,366 2.916,368 6.713,369 2.19,370 3.478,371 2.338,372 5.203,373 3.064,374 2.106,375 2.77,377 6.345,378 2.012,379 3.221,380 1.984,381 4.641,382 2.804,383 1.819,384 2.455,386 4.722,387 1.784,388 3.098,389 1.813,390 4.441,391 2.663,392 1.68,393 2.246,395 4.464,396 1.647,397 2.645,398 1.407,399 3.698,400 2.17,401 1.175,402 1.656,404 2.745,405 1.169,406 2.5,407 1.26,408 3.496,409 2,410 1,411 1.5,413 2.375,414 1,415 2.386,416 1.138,417 3.414,418 1.984,419 1,420 1.333,422 2.275,423 0.983,424 2.068,425 1.043,426 3.247,427 1.933,428 0.943,429 1.038,431 2.136,432 0.932,433 1.761,434 1,435 3.12,436 1.497,437 0.591,438 0.664,440 1.237,441 0.528,442 1.526,443 0.666,444 2.807,445 1.232,446 0.316,447 0.369,449 0.572,450 0.288,451 1.063,452 0.084,453 2.634,454 0.78,455 -0.184,456 -0.211,458 -0.443,459 -0.176,460 0.932,461 -0.14,462 2.449,463 0.572,464 -0.389,465 -0.505,467 -0.84,468 -0.371,469 12.567,470 0.483,471 0.516,472 0.02,473 34.5,474 1.327,475 18.5,476 0.712,477 16,478 0.615,479 20.036,480 0.771,481 27.033,482 0.552,483 24.393,484 0.938,485 7.033,486 0.271,487 5.708,488 0.22,489 0.066,491 0.31,496 0.919,497 1.12,498 0.843,499 0.996,500 0.935,501 0.925,502 1.165,503 0.929,504 0.962,505 0.874,506 0.712,507 0.881,508 0.922,509 1.094,510 1.032,511 1.079,512 0.837,513 1.067,514 0.812,515 1.184,516 1.079,517 1.168,518 1.043,519 1.157,520 0.776,521 1.071,522 0.888,523 1.014,524 0.835,525 0.967,526 1.314,527 1.021,528 1.128,529 1.01,530 1.46,531 1.043,532 1.139,533 1.055,534 1.126,535 1.069,536 1.255,537 1.092,538 1.272,539 0.721,540 0.962,541 0.767,542 1.122,543 0.82,544 4.5,545 0.099,546 2.889,547 1.25,548 1.511,549 0.861,550 0.503,551 0.297,552 0.213,553 0.144,554 8395,555 19118,556 2.148,557 46.9,559 20,562 1,564 2,567 1.689,568 2.053,569 3.396,570 -0.446,575 65.037,576 1.327,577 3.261,578 4.375,579 5.012,580 5.15,581 5.191,582 2.874,583 3.873,584 4.671,585 3.55,586 1153.68,587 8.087,588 14371.2,590 1,593 275.121,594 1.239,595 4.65,596 0.155,597 0.005,598 0.072,599 0.03,600 0.042,601 0.025,602 0.016,603 0.012,604 0.011,605 0.007,606 0.375,607 0.5,608 1,609 0.646,610 127.342,611 -0.025,612 -0.053,613 0.052,614 0.012,615 -0.071,616 0.033,617 -0.131,618 0.151,619 -0.019,620 0.099,621 -0.006,622 0.064,623 -0.063,624 -0.076,625 -0.096,626 -0.09,627 -0.013,628 -0.094,629 0.035,630 -0.202,631 -0.123,632 -0.183,633 -0.06,634 -0.175,635 0.057,636 -0.086,637 0.094,638 -0.044,639 0.042,640 0.018,641 0.076,642 -0.028,643 -0.108,644 -0.056,645 -0.008,646 -0.095,647 -0.096,648 -0.087,649 -0.129,650 -0.1,651 -0.121,652 -0.115,653 -0.11,654 0.229,655 0.07,656 0.197,657 -0.081,658 0.162,659 1.316,660 4.45,661 0.846,662 22.923,663 0.989,664 1.112,665 3.692,666 13.628,667 0.679,668 3.401,669 3.714,670 4.007,671 4.263,672 4.554,673 4.585,674 4.682,675 4.804,676 4.92,677 4.898,678 6.347,679 0.638,680 345.47,681 3.401,682 4.934,683 5.79,684 6.663,685 7.536,686 8.416,687 9.295,688 10.177,689 11.059,690 11.943,691 2,694 1,708 2,709 10,714 4,716 17,734 1,735 1,738 49,739 18,740 3,741 29,743 52,744 23,745 16,746 6,747 10,748 2,752 4,753 5,763 1,766 1,768 18,769 5,772 1,780 1,782 1,786 1,789 23,790 3,791 1,792 3,797 1,803 0.75,804 2,823 4,827 1,845 1,846 1,851 1,855 3,859 1,862 26,868 1,869 4,872 1,875 1,886 4.1,888 1,891 1,893 12.667,894 8.983,895 5.778,896 2.892,898 3.638,899 1.48,900 0.992,901 4.85,902 11.218,903 3.676,904 4.29,905 4.903,906 5.491,907 6.09,908 6.321,909 6.664,910 7.009,911 7.348,912 7.327,913 1,914 42,915 9.613,917 4.055,918 7.545,919 18.823,921 15.679,924 2.045,925 53.167,927 1,928 1,929 258.964,930 143.92,931 3.124,933 53.683,936 143.92,937 312.647,938 3.124,939 10.883,940 8.852,941 104.239,942 42.683,943 34.07,945 258.964,947 258.964,948 147.044,949 53.683,952 235.422,953 77.225,956 11.976,957 125.592,958 9.476,960 258.964,961 56.808,962 143.92,965 258.964,966 28.798,967 118.246,969 53.683,970 258.964,971 56.808,972 143.92,973 0.576,974 0.344,975 0.187,976 0.11,977 20,978 8,979 0.077,980 4,981 1,982 1.091,983 3.855,984 221.536,985 0.091,986 22,987 118.211,993 16.984,994 7.424,995 3.59,996 2.179,997 56.808,998 20.329,1003 3.445,1005 42.683,1006 459.691,1007 38.5,1015 2.307,1017 1.408,1020 48.476,1021 54.484,1022 0.236,1023 0.581,1024 0.779,1025 0.893,1026 0.917,1027 0.925,1028 4.9,1029 1.175,1030 5.759,1031 4.464,1032 4.394,1033 4.977,1034 1.51,1035 6.558,1036 4.343,1037 6.101,1038 1,1039 7.307,1040 2.745,1041 3.892,1042 4.732,1043 0.325,1044 7.434,1045 3.806,1046 7.406,1047 1,1048 8.956,1049 2.375,1050 5.974,1051 7.206,1052 1.266,1053 10.535,1054 5.885,1055 8.748,1056 0.943,1057 10.665,1058 2.275,1059 6.312,1060 7.825,1061 0.504,1062 12.257,1063 6.199,1064 10.124,1065 0.591,1066 12.414,1067 2.136,1068 7.831,1069 9.748,1070 1.104,1071 14.871,1072 7.717,1073 11.523,1074 0.316,1075 14.19,1076 1.237,1077 8.569,1078 10.799,1079 0.585,1080 16.953,1081 8.443,1082 12.942,1083 -0.184,1084 15.986,1085 0.572,1086 9.852,1087 12.483,1088 0.988,1089 19.402,1090 9.723,1091 3.154,1092 -0.389,1093 17.798,1094 -0.443,1095 10.79,1096 13.759,1097 0.622,1098 21.643,1099 10.653,1100 2.865,1101 10.832,1102 19.622,1103 -0.84,1104 11.974,1105 15.336,1106 0.901,1107 24.037,1108 11.833,1109 2.532,1110 9.054,1111 21.457,1112 4.524,1113 13.01,1114 16.728,1115 0.639,1116 26.35,1117 12.862,1118 2.339,1119 7.644,1120 23.3,1121 3.734,1122 14.155,1123 18.26,1124 0.836,1125 28.726,1126 14.001,1127 2.106,1128 6.713,1129 25.15,1130 3.34,1131 15.239,1132 19.709,1133 0.646,1134 31.072,1135 15.078,1136 1.819,1137 6.345,1138 27.006,1139 2.916,1140 16.372,1141 21.222,1142 0.787,1143 33.445,1144 16.203,1145 1.68,1146 4.722,1147 28.867,1148 2.77,1149 17.48,1150 22.7,1151 0.648,1152 35.807,1153 17.302,1154 7895,1155 12006,1156 19.879,1157 33.29,1158 43.297,1159 43.788,1160 44.024,1161 43.029,1162 43.039,1163 57.09,1164 4.427,1165 122.227,1166 41.823,1167 5.522,1168 5.323,1169 6.494,1170 5.178,1171 5.154,1172 7.524,1173 1.855,1174 17.984,1175 5.117,1176 9.268,1177 1.493,1178 1.51,1179 1.518,1180 1.484,1181 1.484,1182 1.969,1183 0.153,1184 4.215,1185 1.442,1186 4.108,1187 4.126,1188 4.066,1189 4.058,1190 6.469,1191 4.057,1192 3.96,1193 3.991,1194 3.893,1195 3.904,1196 4.914,1197 3.897,1198 3.723,1199 3.778,1200 3.621,1201 3.599,1202 4.777,1203 3.596,1204 3.533,1205 3.555,1206 3.457,1207 3.41,1208 4.531,1209 3.416,1210 3.251,1211 3.31,1212 3.128,1213 3.115,1214 4.382,1215 3.11,1216 3.153,1217 3.225,1218 2.978,1219 2.912,1220 4.012,1221 2.913,1222 3.042,1223 3.133,1224 2.839,1225 2.883,1226 3.895,1227 2.859,1228 2.946,1229 3.006,1230 2.783,1231 2.807,1232 3.674,1233 2.795,1234 0.158,1235 0.115,1236 0.231,1237 0.143,1238 0.109,1239 4.587,1240 0.156,1241 3.323,1242 0.034,1243 6.692,1244 0.374,1245 4.142,1246 0.107,1247 3.154,1248 4.524,1249 0.995,1250 10.832,1251 3.117,1252 2.076,1253 2.062,1254 2.15,1255 2.143,1256 1.367,1257 2.146,1258 1.956,1259 1.928,1260 2.077,1261 2.042,1262 1.276,1263 2.056,1264 1.714,1265 1.662,1266 1.898,1267 1.866,1268 1.03,1269 1.88,1270 1.494,1271 1.47,1272 1.664,1273 1.669,1274 0.799,1275 1.664,1276 1.24,1277 1.187,1278 1.533,1279 1.457,1280 0.683,1281 1.484,1282 1.136,1283 1.056,1284 1.449,1285 1.368,1286 0.609,1287 1.397,1288 1.082,1289 0.998,1290 1.422,1291 1.296,1292 0.529,1293 1.346,1294 0.948,1295 0.888,1296 1.186,1297 1.121,1298 0.35,1299 1.144,1300 4.078,1302 5.389,1304 6.915,1306 8.534,1308 10.201,1310 1.671,1314 10.45,1315 3.637,1318 5.365,1321 2.375,1326 31.246,1327 65.037,1328 159.794,1329 214.392,1330 245.611,1331 252.366,1332 254.366,1333 34.477,1334 7.58,1335 32.7,1336 32.7,1337 24,1338 12.476,1339 4.248,1340 3.392,1341 38.118,1342 99,1343 100,1344 0.188,1345 190.261,1346 329.14,1347 455.997,1348 20982,1350 17.933,1351 0.69,1352 0.576,1353 17.933,1354 14.982,1355 12.742,1356 0.439,1357 0.31,1358 8.909,1359 12.414,1360 8.655,1361 7.178,1362 12.742,1363 8.998,1364 11.144,1365 0.279,1366 0.168,1367 11.144,1368 6.731,1369 9.821,1370 0.182,1371 0.095,1372 9.821,1373 5.135,1374 8.019,1375 0.115,1376 0.052,1377 8.019,1378 3.635,1379 6.996,1380 0.074,1381 0.029,1382 6.996,1383 2.701,1384 0.296,1385 78.754,1386 0.224,1387 25.148,1388 0.515,1389 138,1390 337.53,1391 145.064,1392 332.336,1393 463.15,1394 314,1395 163,1396 341.688,1397 170.316,1398 353.404,1399 514.36,1400 332,1401 4.461}
{0 CHEMBL1500144,1 1.901,2 10.769,3 1.725,4 2.974,5 98.106,6 8.857,7 0.393,8 3.902,9 4.023,10 3.6,11 3.342,12 5.123,13 3.361,14 4.445,15 4.612,16 3.98,17 3.736,18 5.739,19 3.737,20 4.701,21 4.921,22 4.011,23 3.798,24 5.952,25 3.772,26 4.662,27 4.877,28 3.895,29 3.692,30 5.949,31 3.682,32 4.603,33 4.812,34 3.829,35 3.624,36 6.023,37 3.629,38 4.536,39 4.744,40 3.793,41 3.542,42 5.85,43 3.551,44 4.461,45 4.665,46 3.769,47 3.481,48 5.845,49 3.486,50 4.297,51 4.478,52 3.68,53 3.388,54 5.623,55 3.395,56 0.279,57 0.678,58 6.738,59 3.324,60 13.388,61 4.229,62 0.559,63 1.026,64 14.724,65 5.583,66 57.057,67 7.499,68 0.871,69 1.087,70 26.407,71 7.218,72 85.698,73 10.136,74 1.011,75 1,76 25.699,77 6.079,78 87.19,79 8.586,80 0.941,81 0.945,82 22.451,83 5.716,84 141.248,85 7.949,86 0.858,87 0.858,88 21.561,89 5.04,90 95.175,91 6.858,92 0.887,93 0.757,94 21.174,95 5.105,96 100.899,97 6.332,98 0.669,99 0.692,100 16.483,101 4.553,102 72.327,103 6.042,104 27,105 39,106 0.33,107 0.656,108 0.773,109 0.836,110 0.852,111 0.852,112 3.304,113 0.91,114 -4.83,115 -4.74,116 -4.45,120 34.9,122 3,126 3,143 4,145 2,148 2,159 1,167 5,174 3,176 5,177 6,180 1,182 1,185 4,188 5,189 7,192 4,197 4,200 5,201 8,204 3,209 2,213 2,214 9,219 2,226 1,227 10,230 1,232 4,239 4,240 5,247 2,251 3,252 3,257 1,260 2,263 4,264 12,274 1128,275 17.259,276 17.259,277 17.259,278 17.259,279 17.259,280 15.359,281 25.548,282 10.126,283 17.696,284 13.767,285 13.767,286 13.767,287 13.767,288 13.767,289 10.832,290 32.198,291 4.759,292 14.518,293 3.526,294 1.64,295 0.965,296 0.605,297 0.512,298 0.512,299 3.98,303 1,305 1,306 1,307 1,308 592,309 3.317,312 163.014,313 92.38,320 1.846,321 42.353,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 59.333,333 280,334 4.698,335 3.846,336 6.86,337 4.208,338 3.255,339 4.621,340 2.612,341 11.354,342 3.098,343 4.096,344 3.73,345 6.122,346 3.781,347 2.817,348 3.704,349 1.94,350 8.764,351 2.71,352 3.974,353 3.459,354 6.034,355 3.63,356 2.676,357 3.417,358 0.555,359 8.586,360 2.547,361 3.839,362 2.939,363 5.403,364 3.234,365 2.313,366 3.13,367 0.4,368 6.461,369 2.121,370 3.47,371 2.568,372 5.03,373 2.988,374 2.068,375 2.783,377 5.898,378 1.852,379 2.933,380 2.321,381 4.501,382 2.669,383 1.694,384 2.008,386 4.189,387 1.631,388 2.791,389 2.212,390 4.167,391 2.372,392 1.407,393 1.818,395 3.796,396 1.333,397 2.687,398 1.719,399 3.891,400 2.158,401 1.148,402 1.69,404 2.818,405 1.149,406 2.5,407 1.422,408 3.582,409 2.064,410 1.098,411 1.5,413 2.665,414 1.057,415 2.366,416 1.232,417 3.414,418 2.025,419 1.054,420 1.303,422 2.343,423 1.015,424 2.135,425 1,426 3.406,427 2,428 1,429 1.114,431 2.275,432 1,433 1.631,434 1,435 3.002,436 1.367,437 0.419,438 0.464,440 0.983,441 0.393,442 1.211,443 0.876,444 2.643,445 0.843,446 -0.074,447 -0.089,449 -0.17,450 -0.06,451 1.026,452 0.517,453 2.333,454 0.573,455 -0.334,456 -0.408,458 -0.773,459 -0.27,460 1,461 0.321,462 2.13,463 0.394,464 -0.614,465 -0.776,467 -1.355,468 -0.599,469 11.948,470 0.46,471 0.703,472 0.027,473 33.5,474 1.288,475 16,476 0.615,477 17.5,478 0.673,479 20.072,480 0.772,481 29.452,482 0.685,483 25.876,484 0.995,485 6.495,486 0.25,487 5.974,488 0.23,489 0.171,491 0.343,496 0.423,497 1.37,498 0.56,499 1.033,500 0.466,501 0.956,502 0.554,503 1.347,504 0.66,505 1.074,506 0.434,507 1.017,508 0.737,509 0.975,510 0.861,511 0.983,512 0.661,513 0.957,514 0.998,515 0.937,516 0.95,517 0.862,518 1.036,519 0.926,520 1.076,521 1.107,522 0.747,523 0.909,524 1.027,525 0.922,526 1.277,527 1.033,528 0.886,529 0.908,530 1.277,531 0.942,532 1.388,533 0.717,534 0.967,535 0.729,536 1.446,537 0.822,538 1.066,539 1.166,540 0.791,541 1.037,542 1.346,543 0.987,544 5,545 0.123,546 3.556,547 2.333,548 1.692,549 0.862,550 0.461,551 0.352,552 0.339,553 0.23,554 8012,555 29068,556 2.014,557 39.5,559 10,562 1,563 2,564 2,565 2,567 1.691,568 1.857,569 3.374,570 -0.142,571 1,572 1,575 81.729,576 1.901,577 3.786,578 4.461,579 4.822,580 4.915,581 4.915,582 2.907,583 4.393,584 4.668,585 3.593,586 1167.68,587 8.092,588 14873.8,590 1,592 1,593 233.329,594 1.502,595 4.615,596 0.179,597 0.007,598 0.091,599 0.061,600 0.05,601 0.027,602 0.016,603 0.013,604 0.013,605 0.009,606 0.466,607 0.17,608 1,609 0.819,610 128.159,611 0.202,612 -0.021,613 0.042,614 -0.014,615 0.032,616 -0.038,617 0.147,618 -0.154,619 0.061,620 -0.091,621 0.152,622 -0.067,623 0.101,624 0.026,625 0.069,626 -0.034,627 0.074,628 0.029,629 -0.006,630 0.038,631 -0.052,632 0.034,633 -0.067,634 0.008,635 -0.061,636 -0.149,637 0.031,638 -0.011,639 0.066,640 0.025,641 -0.212,642 -0.071,643 -0.03,644 -0.023,645 -0.163,646 -0.023,647 -0.218,648 0.211,649 -0.001,650 0.178,651 -0.191,652 0.099,653 -0.001,654 -0.195,655 0.079,656 -0.072,657 -0.176,658 -0.028,659 2.715,660 5.435,661 0.615,662 25.799,663 1.036,664 1.146,665 3.597,666 12.937,667 0.658,668 3.367,669 3.689,670 3.951,671 4.174,672 4.29,673 4.331,674 4.344,675 4.407,676 4.511,677 4.466,678 6.537,679 0.651,680 380.83,681 3.367,682 4.905,683 5.753,684 6.627,685 7.496,686 8.377,687 9.255,688 10.14,689 11.025,690 11.913,691 14,696 1,698 1,699 1,701 1,702 2,709 4,710 1,714 4,715 1,716 11,729 1,731 1,737 1,738 43,739 15,740 1,741 28,743 45,744 15,745 8,746 2,747 4,752 3,753 3,754 1,763 2,766 3,768 9,769 6,772 4,775 1,778 4,782 1,785 1,786 1,789 17,790 7,791 1,792 11,793 1,797 6,803 1,804 4,822 2,823 1,839 1,855 3,860 1,862 26,869 6,871 1,875 1,883 1,885 1,886 9.3,889 1,892 3,893 14,894 7.643,895 5.75,896 2.638,898 2.173,899 1.311,900 0.954,901 5.834,902 9.156,903 3.651,904 4.245,905 4.78,906 5.318,907 5.773,908 6.055,909 6.314,910 6.611,911 6.919,912 7.054,913 1,914 38,915 9.647,917 4.214,918 8.229,919 17.644,921 14.274,924 2.729,925 70.944,929 188.338,930 67.444,931 48.172,932 39.149,933 101.265,936 67.444,937 328.752,938 48.172,939 8.719,940 17.045,941 37.905,942 64.523,943 7.911,944 4.656,945 188.338,946 115.269,947 188.338,948 115.615,949 101.265,950 39.149,952 141.253,953 72.229,954 76.12,956 18.699,957 53.523,958 82.542,960 188.338,961 149.437,962 106.592,965 188.338,966 29.539,967 51.403,968 18.011,969 157.077,970 188.338,971 149.437,972 106.592,973 0.584,974 0.343,975 0.179,976 0.092,977 18,978 9,979 0.156,980 7,982 1,983 3.789,984 210.443,986 16,987 116.211,993 18.731,994 8.098,995 4.212,997 139.063,998 6.196,999 3.775,1003 0.024,1004 0.89,1005 18.011,1006 444.367,1007 37.5,1010 -0.715,1013 46.436,1017 0.116,1020 44.545,1021 49.263,1022 0.35,1023 0.698,1024 0.822,1025 0.889,1026 0.906,1027 0.906,1028 4.888,1029 1.148,1030 5.746,1031 3.796,1032 4.369,1033 4.931,1034 2.955,1035 6.564,1036 4.269,1037 6.101,1038 1.098,1039 7.318,1040 2.818,1041 4.007,1042 4.924,1043 2.701,1044 7.516,1045 3.819,1046 7.422,1047 1.054,1048 8.993,1049 2.665,1050 5.969,1051 7.169,1052 4.409,1053 10.621,1054 5.768,1055 8.784,1056 1,1057 10.73,1058 2.343,1059 6.447,1060 8.014,1061 4.723,1062 12.431,1063 6.172,1064 10.181,1065 0.419,1066 12.506,1067 2.275,1068 7.886,1069 9.771,1070 6.096,1071 15.065,1072 7.589,1073 11.602,1074 -0.074,1075 14.31,1076 0.983,1077 8.735,1078 10.985,1079 6.68,1080 17.22,1081 8.376,1082 13.043,1083 -0.334,1084 16.134,1085 -0.17,1086 9.982,1087 12.578,1088 7.88,1089 19.705,1090 9.592,1091 3.255,1092 -0.614,1093 17.973,1094 -0.773,1095 10.998,1096 13.958,1097 8.617,1098 22.009,1099 10.552,1100 2.817,1101 11.354,1102 19.824,1103 -1.355,1104 12.177,1105 15.497,1106 9.718,1107 24.447,1108 11.692,1109 2.676,1110 8.764,1111 21.685,1112 4.621,1113 13.269,1114 16.955,1115 10.547,1116 26.816,1117 12.732,1118 2.313,1119 8.586,1120 23.554,1121 3.704,1122 14.429,1123 18.479,1124 11.591,1125 29.241,1126 13.847,1127 2.068,1128 6.461,1129 25.43,1130 3.417,1131 15.557,1132 19.972,1133 12.473,1134 31.64,1135 14.925,1136 1.694,1137 5.898,1138 27.311,1139 3.13,1140 16.715,1141 21.494,1142 13.483,1143 34.064,1144 16.035,1145 1.407,1146 4.189,1147 29.198,1148 2.783,1149 17.862,1150 23.005,1151 14.398,1152 36.478,1153 17.132,1154 7841,1155 15157,1156 18.205,1157 28.279,1158 42.098,1159 44.239,1160 43.967,1161 42.106,1162 41.9,1163 55.103,1164 11.017,1165 120.267,1166 39.812,1167 5.669,1168 5.846,1169 6.539,1170 5.264,1171 5.255,1172 7.621,1173 4.612,1174 18.798,1175 5.098,1176 14.619,1177 1.503,1178 1.58,1179 1.57,1180 1.504,1181 1.496,1182 1.968,1183 0.393,1184 4.295,1185 1.422,1186 4.14,1187 4.201,1188 4.145,1189 3.9,1190 7.815,1191 3.931,1192 3.872,1193 3.928,1194 3.931,1195 3.702,1196 7.471,1197 3.715,1198 3.823,1199 3.849,1200 3.773,1201 3.642,1202 7.427,1203 3.678,1204 3.551,1205 3.616,1206 3.541,1207 3.355,1208 6.999,1209 3.348,1210 3.48,1211 3.519,1212 3.382,1213 2.936,1214 4.967,1215 3.067,1216 3.027,1217 3.131,1218 3.22,1219 2.785,1220 4.732,1221 2.799,1222 2.919,1223 2.965,1224 2.809,1225 2.735,1226 4.288,1227 2.715,1228 2.854,1229 2.925,1230 2.777,1231 2.665,1232 4.215,1233 2.679,1234 0.168,1235 0.137,1236 0.245,1237 0.15,1238 0.116,1239 4.698,1240 0.165,1241 3.846,1242 0.093,1243 6.86,1244 0.406,1245 4.208,1246 0.111,1247 3.255,1248 4.621,1249 2.612,1250 11.354,1251 3.098,1252 1.897,1253 1.869,1254 1.977,1255 2.077,1256 1.244,1257 2.031,1258 1.712,1259 1.65,1260 1.924,1261 1.99,1262 1.154,1263 1.94,1264 1.569,1265 1.508,1266 1.829,1267 1.871,1268 1.074,1269 1.823,1270 1.546,1271 1.501,1272 1.631,1273 1.759,1274 0.786,1275 1.77,1276 1.339,1277 1.278,1278 1.48,1279 1.742,1280 0.603,1281 1.676,1282 1.269,1283 1.205,1284 1.34,1285 1.571,1286 0.379,1287 1.547,1288 0.886,1289 0.821,1290 1.192,1291 1.239,1292 0.265,1293 1.213,1294 0.873,1295 0.816,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.043,1302 5.361,1303 3.045,1304 6.858,1305 5.416,1306 8.437,1307 7.506,1308 10.063,1311 5.811,1315 3.562,1317 2.765,1321 1.748,1326 27.976,1327 81.729,1328 162.8,1329 191.82,1330 207.329,1331 211.329,1332 211.329,1333 66.03,1334 6.983,1335 121.44,1336 121.44,1337 16,1338 12.444,1339 4,1340 3.392,1341 44.373,1342 98,1343 99,1344 0.214,1345 177.067,1346 307.07,1347 423.804,1348 9441,1349 2.3,1350 18.681,1351 0.719,1352 0.56,1353 19.181,1354 14.555,1355 12.469,1356 0.445,1357 0.303,1358 7.976,1359 11.381,1360 7.879,1361 6.471,1362 12.758,1363 8.498,1364 11.303,1365 0.29,1366 0.161,1367 11.711,1368 6.269,1369 9.369,1370 0.184,1371 0.085,1372 9.657,1373 4.316,1374 7.428,1375 0.116,1376 0.045,1377 7.595,1378 2.908,1379 5.509,1380 0.077,1381 0.024,1382 5.723,1383 1.745,1384 0.337,1385 83.641,1386 0.234,1387 25.322,1388 0.583,1389 134,1390 519.704,1391 171.643,1392 517.545,1393 672.67,1394 474,1395 157,1396 476.865,1397 191.688,1398 471.619,1399 685.72,1400 442,1401 4.577}
{0 CHEMBL1500224,1 1.736,2 9.444,3 2.987,4 8.924,5 74.895,6 8.678,7 0.579,8 3.504,9 3.6,10 3.248,11 3.138,12 4.757,13 3.087,14 3.918,15 4.047,16 3.602,17 3.484,18 5.251,19 3.395,20 4.069,21 4.227,22 3.403,23 3.436,24 5.276,25 3.331,26 4.072,27 4.292,28 3.19,29 3.185,30 5.286,31 3.113,32 3.831,33 4.061,34 2.961,35 2.994,36 4.949,37 2.897,38 3.621,39 3.844,40 3.003,41 2.966,42 4.74,43 2.846,44 3.563,45 3.728,46 3.01,47 3.009,48 4.835,49 2.881,50 3.537,51 3.732,52 2.779,53 2.957,54 4.58,55 2.806,56 0.077,57 0.425,58 5.23,59 2.804,60 8.481,61 3.057,62 0.171,63 0.64,64 9.466,65 4.596,66 31.388,67 5.165,68 0.149,69 0.757,70 16.871,71 5.819,72 14.876,73 6.131,74 0.238,75 0.696,76 13.205,77 4.52,78 33.558,79 5.48,80 0.211,81 0.546,82 12.016,83 3.971,84 32.006,85 4.564,86 0.189,87 0.463,88 8.75,89 3.258,90 17.642,91 4.092,92 0.213,93 0.438,94 9.531,95 3.424,96 24.58,97 3.582,98 0.07,99 0.403,100 9.191,101 3.724,102 9.012,103 4.378,104 11,105 25,106 0.33,107 0.679,108 0.778,109 0.851,110 0.851,111 0.851,112 2.957,113 0.972,114 -3.79,115 -3.75,116 -3.57,120 43.3,121 1,143 6,144 1,145 1,153 2,156 1,159 1,168 1,170 1,172 1,174 5,175 1,177 1,180 1,182 3,185 8,186 2,189 6,194 4,197 3,198 2,201 5,206 5,214 2,219 1,220 1,228 1,230 1,231 1,232 1,235 4,239 1,243 1,247 6,260 6,271 3,272 2,274 362,275 11.93,276 11.93,277 11.93,278 11.93,279 11.93,280 10.234,281 9.796,282 7.159,283 12.221,284 9.367,285 9.367,286 9.367,287 9.367,288 9.367,289 6.861,290 5.621,291 3.408,292 9.849,293 3.171,294 1.331,295 0.809,296 0.425,297 0.425,298 0.425,299 3.613,305 1,306 1,307 1,308 352,309 2.828,312 56.49,313 63.9,320 1.556,321 15.871,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 39,333 170,334 4.168,335 3.576,336 5.929,337 3.782,338 2.786,339 3.764,340 1.437,341 8.227,342 2.768,343 4.107,344 2.814,345 5.55,346 3.595,347 2.695,348 3.736,350 7.57,351 2.411,352 3.708,353 2.641,354 5.296,355 3.342,356 2.367,357 3.049,359 6.785,360 2.294,361 3.281,362 2.18,363 4.645,364 2.83,365 1.886,366 2.493,368 5.029,369 1.761,370 2.813,371 1.907,372 3.807,373 2.329,374 1.338,375 1.831,377 3.057,378 1.306,379 2.583,380 1.414,381 3.414,382 2,383 1.029,384 1.5,386 2.322,387 1,388 2.5,389 1,390 3.372,391 1.999,392 1,393 1.48,395 2.275,396 0.989,397 2.187,398 0.735,399 3.257,400 1.625,401 0.71,402 1.033,404 1.689,405 0.632,406 1.37,407 0.489,408 2.616,409 0.931,415 0.75,416 0.237,417 2,418 0.401,419 -0.566,420 -0.678,422 -1.316,423 -0.536,424 0.5,425 -0.355,426 1.926,427 0.138,428 -0.827,429 -1.01,431 -1.911,432 -0.792,433 0.469,434 -0.586,435 1.647,437 -1,438 -1.335,440 -2,441 -0.971,442 0.406,443 -1,444 1.598,445 -0.01,446 -1,447 -1.5,449 -3,450 -1,451 0.109,452 -1.105,453 1.175,454 -0.307,455 -1.264,456 -1.644,458 -3.444,459 -1.195,460 -0.33,461 -1.449,462 1,463 -0.664,464 -1.621,465 -2.133,467 -4.429,468 -1.348,469 8.8,470 0.489,471 0.438,472 0.024,473 24,474 1.333,475 13.5,476 0.75,477 10.5,478 0.583,479 11.261,480 0.626,481 18.8,482 0.627,483 14.734,484 0.819,485 4.943,486 0.275,487 3.704,488 0.206,489 0.133,491 0.284,496 0.771,497 0.843,498 0.734,499 0.768,500 0.75,501 0.79,502 0.512,503 1.02,504 0.808,505 0.884,506 0.404,507 0.889,508 0.895,509 1.508,510 1.592,511 1.616,512 0.723,513 1.325,514 1.259,515 1.19,516 0.799,517 0.897,518 1.161,519 1.042,520 1.276,521 0.961,522 0.938,523 0.789,524 1.213,525 0.863,526 0.454,527 0.715,528 0.73,529 0.664,530 0.421,531 0.78,532 0.888,533 0.68,534 1.395,535 1.004,536 0.836,537 0.96,538 0.487,539 0.945,540 1.155,541 1.204,542 0.45,543 1.128,544 4,545 0.062,546 1.778,547 0.944,548 0.467,549 0.462,550 0.183,551 0.141,552 0.128,553 0.097,554 3100,555 10534,556 1.994,557 40,559 6,561 1,562 2,563 3,567 1.576,568 1.862,569 3.229,570 0.429,572 1,574 1,575 52.081,576 1.736,577 3.576,578 4.098,579 4.482,580 4.482,581 4.482,582 2.738,583 3.419,584 4.143,585 3.384,586 517.703,587 6.976,588 5155.3,589 1,590 1,591 1,592 1,593 147.207,594 1.415,595 4.096,596 0.211,597 0.009,598 0.071,599 0.045,600 0.029,601 0.036,602 0.014,603 0.011,604 0.012,605 0.012,606 0.449,607 0.5,608 1,609 0.894,610 79.007,611 -0.041,612 0.216,613 0.031,614 0.141,615 -0.118,616 0.075,617 0.185,618 0.017,619 0.113,620 0.112,621 0.238,622 0.037,623 -0.108,624 -0.448,625 -0.412,626 -0.495,627 -0.007,628 -0.365,629 -0.162,630 -0.233,631 -0.027,632 -0.115,633 -0.108,634 -0.126,635 -0.203,636 0.015,637 -0.007,638 0.102,639 -0.191,640 0.1,641 0.261,642 0.314,643 0.199,644 0.258,645 0.137,646 0.2,647 0.061,648 0.4,649 -0.206,650 0.124,651 0.044,653 0.041,654 -0.028,655 -0.107,656 -0.125,657 0.086,658 -0.066,659 2.598,660 3.665,661 0.611,662 14.123,663 1.012,664 1.114,665 2.563,666 6.567,667 0.713,668 2.996,669 3.258,670 3.401,671 3.526,672 3.555,673 3.497,674 3.434,675 3.332,676 3.434,677 3.497,678 5.682,679 0.676,680 260.34,681 2.996,682 4.489,683 5.283,684 6.111,685 6.921,686 7.749,687 8.562,688 9.39,689 10.205,690 11.032,691 6.7,696 1,700 1,709 6,713 1,714 4,716 11,725 1,738 30,739 13,740 1,741 19,743 31,744 13,745 10,746 2,747 4,748 2,752 2,753 2,755 1,759 1,768 12,769 1,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 12,790 4,791 2,792 5,793 1,797 2,803 1,804 2,822 1,823 1,853 1,855 2,857 1,859 1,862 18,868 1,871 1,880 1,886 6.7,888 1,889 1,893 9.667,894 5.567,895 4.028,896 1.583,898 2.558,899 1.429,900 0.942,901 4.102,902 8.519,903 3.314,904 3.866,905 4.358,906 4.844,907 5.149,908 5.265,909 5.43,910 5.59,911 5.981,912 6.411,913 1,914 21,915 6.581,917 2.69,918 7.981,919 12.264,921 9.498,924 2.481,925 44.667,926 0.001,929 117.711,930 115.577,931 34.551,933 67.828,935 31.278,936 84.299,937 185.539,938 34.551,939 8.825,941 56.857,942 107.445,943 22.605,944 2.717,945 137.218,947 117.711,948 118.85,949 67.828,950 31.278,952 117.711,953 67.828,956 25.488,957 66.426,958 26.936,959 31.278,960 117.711,961 102.38,962 115.577,965 117.711,966 40.847,967 74.73,968 17.888,969 84.491,970 117.711,971 102.38,972 115.577,973 0.574,974 0.314,975 0.151,976 0.072,977 11,978 5,979 0.129,980 4,982 1,983 3.17,984 114.714,986 11,987 71.059,989 1,993 12.773,994 5.78,995 3.662,997 102.38,998 10.471,1002 1.662,1003 3.326,1005 60.572,1006 335.667,1007 26.5,1013 10.665,1015 1.739,1016 4.088,1017 -0.931,1020 30.353,1021 33.411,1022 0.354,1023 0.729,1024 0.835,1025 0.913,1026 0.913,1027 0.913,1028 4.497,1029 0.71,1030 5.242,1031 2.275,1032 3.932,1033 4.549,1034 1.635,1035 5.938,1036 3.839,1037 5.694,1039 6.737,1040 1.689,1041 3.434,1042 4.205,1044 6.613,1045 3.279,1046 6.971,1047 -0.566,1048 8.324,1050 5.425,1051 6.668,1052 2.253,1053 9.577,1054 5.247,1055 8.282,1056 -0.827,1057 9.962,1058 -1.316,1059 5.707,1060 7.13,1062 11.038,1063 5.462,1064 9.619,1065 -1,1066 11.631,1067 -1.911,1068 7.165,1069 9.03,1070 2.922,1071 13.469,1072 6.912,1073 10.973,1074 -1,1075 13.322,1076 -2,1077 7.804,1078 9.877,1080 15.259,1081 7.493,1082 12.342,1083 -1.264,1084 15.027,1085 -3,1086 9.027,1087 11.512,1088 3.619,1089 17.485,1090 8.71,1091 2.786,1092 -1.621,1093 16.743,1094 -3.444,1095 9.844,1096 12.562,1098 19.427,1099 9.481,1100 2.695,1101 8.227,1102 18.466,1103 -4.429,1104 10.955,1105 14.06,1106 4.33,1107 21.567,1108 10.586,1109 2.367,1110 7.57,1111 20.196,1112 3.764,1113 11.863,1114 15.224,1116 23.583,1117 11.461,1118 1.886,1119 6.785,1120 21.931,1121 3.736,1122 12.921,1123 16.647,1124 5.047,1125 25.688,1126 12.511,1127 1.338,1128 5.029,1129 23.67,1130 3.049,1131 13.876,1132 17.875,1134 27.74,1135 13.444,1136 1.029,1137 3.057,1138 25.412,1139 2.493,1140 14.909,1141 19.257,1142 5.769,1143 29.833,1144 14.469,1145 1,1146 2.322,1147 27.158,1148 1.831,1149 15.889,1150 20.522,1152 31.903,1153 15.434,1154 3130,1155 5873,1156 12.425,1157 21.375,1158 28.379,1159 28.549,1160 28.438,1161 27.676,1162 27.621,1163 37.772,1164 2.873,1165 73.909,1166 26.324,1167 4.881,1168 5.576,1169 5.483,1170 4.861,1171 4.786,1172 6.764,1173 2.873,1174 13.755,1175 4.768,1176 9.18,1177 1.494,1178 1.503,1179 1.497,1180 1.457,1181 1.454,1182 1.988,1183 0.151,1184 3.89,1185 1.385,1186 3.95,1187 3.976,1188 4.24,1189 3.945,1190 7.475,1191 3.881,1192 3.871,1193 3.881,1194 3.876,1195 3.845,1196 6.351,1197 3.827,1198 3.392,1199 3.446,1200 3.348,1201 3.137,1202 4.877,1203 3.175,1204 3.202,1205 3.231,1206 3.114,1207 2.986,1208 4.665,1209 3.004,1210 2.967,1211 3.058,1212 2.756,1213 2.735,1214 4.424,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.709,1220 3.739,1221 2.71,1222 2.632,1223 2.698,1224 2.682,1225 2.382,1226 3.674,1227 2.4,1228 2.225,1229 2.315,1230 2.463,1231 2.233,1232 3.545,1233 2.061,1234 0.219,1235 0.188,1236 0.312,1237 0.199,1238 0.147,1239 4.168,1240 0.198,1241 3.576,1242 0.076,1243 5.929,1244 0.433,1245 3.782,1246 0.146,1247 2.786,1248 3.764,1249 1.437,1250 8.227,1251 2.768,1252 1.901,1253 1.878,1254 2,1255 2.005,1256 1.082,1257 2.003,1258 1.576,1259 1.535,1260 1.767,1261 1.707,1262 0.883,1263 1.726,1264 1.527,1265 1.516,1266 1.59,1267 1.639,1268 0.739,1269 1.666,1270 1.163,1271 1.15,1272 1.311,1273 1.436,1274 0.29,1275 1.394,1276 0.916,1277 0.837,1278 1.181,1279 1.228,1280 0.218,1281 1.217,1282 0.886,1283 0.821,1284 1.16,1285 1.062,1286 0.212,1287 1.107,1288 0.654,1289 0.592,1290 0.861,1291 0.925,1293 0.959,1294 0.429,1295 0.383,1296 0.663,1297 0.644,1299 0.704,1300 3.664,1302 4.934,1303 2.398,1304 6.372,1305 4.595,1306 7.88,1307 6.529,1308 9.425,1310 2.042,1314 8.754,1317 2.852,1326 20.294,1327 52.081,1328 107.291,1329 122.942,1330 134.452,1331 134.452,1332 134.452,1333 26.854,1334 5.961,1335 61.69,1336 89.93,1337 11,1338 11.609,1339 3.807,1340 3.087,1341 31.411,1342 62,1343 50,1344 0.251,1345 132.904,1346 226.55,1347 316.047,1348 2590,1350 12.958,1351 0.72,1352 0.587,1353 13.311,1354 10.569,1355 8.648,1356 0.455,1357 0.324,1358 5.349,1359 7.848,1360 5.11,1361 4.287,1362 9.056,1363 6.155,1364 7.74,1365 0.31,1366 0.201,1367 8.495,1368 5.02,1369 5.862,1370 0.202,1371 0.111,1372 6.536,1373 3.214,1374 4.426,1375 0.134,1376 0.065,1377 5.077,1378 2.13,1379 3.018,1380 0.089,1381 0.033,1382 3.403,1383 1.129,1384 0.405,1385 58.079,1386 0.284,1387 18.714,1388 0.65,1389 88,1390 290.724,1391 121.16,1392 304.659,1393 404.46,1394 282,1395 98,1396 272.509,1397 123.387,1398 293.162,1399 416.51,1400 274,1401 6.796}
{0 CHEMBL1500316,1 2.131,2 6.842,3 1.334,4 1.78,5 77.872,6 10.761,7 0.25,8 3.548,9 3.609,10 3.571,11 3.167,12 4.762,13 3.097,14 4.077,15 4.189,16 4.033,17 3.568,18 5.419,19 3.466,20 4.253,21 4.399,22 4.044,23 3.615,24 5.48,25 3.542,26 4.284,27 4.398,28 4.246,29 3.693,30 5.616,31 3.609,32 4.343,33 4.462,34 4.111,35 3.635,36 6.025,37 3.54,38 4.188,39 4.294,40 3.664,41 3.32,42 5.696,43 3.225,44 3.848,45 3.959,46 2.926,47 2.776,48 5.44,49 2.716,50 3.326,51 3.534,52 2.049,53 2.329,54 4.63,55 2.191,56 0.202,57 0.459,58 3.159,59 3.204,60 19.426,61 2.873,62 0.508,63 0.72,64 16.426,65 6.228,66 60.693,67 4.845,68 0.599,69 0.84,70 17.599,71 6.579,72 60.353,73 6.025,74 0.553,75 0.82,76 18.888,77 7.505,78 68.092,79 6.706,80 0.882,81 0.782,82 28.129,83 8.291,84 129.081,85 7.213,86 0.799,87 0.639,88 28.454,89 7.283,90 112.196,91 4.638,92 0.784,93 0.395,94 17.001,95 4.615,96 122.062,97 2.61,98 0.327,99 0.252,100 5.493,101 2.476,102 44.35,103 2.82,104 31,105 28,106 0.408,107 0.704,108 0.785,109 0.785,110 0.785,111 0.785,112 3.012,113 1.169,114 -2.67,115 -2.69,116 -2.61,120 33.3,126 4,135 1,138 1,145 2,154 2,167 2,176 1,185 1,188 2,189 5,200 3,201 3,209 1,213 3,214 4,226 1,227 5,235 1,239 2,251 1,264 1,274 409,275 12.544,276 12.544,277 12.544,278 12.544,279 12.544,280 11.445,281 15.003,282 7.354,283 13.618,284 9.773,285 9.773,286 9.773,287 9.773,288 9.773,289 7.94,290 17.349,291 3.351,292 11.357,293 2.776,294 1.225,295 0.8,296 0.8,297 0.8,298 0.8,299 3.659,304 1,305 1,306 1,307 1,308 263,309 3.082,312 53.663,313 59.779,320 1.025,321 34.724,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43.333,333 130,334 4.692,335 4.796,336 7.072,337 4.23,338 3.329,339 4.451,340 2.95,341 12.174,342 3.011,343 3.872,344 3.816,345 6.116,346 3.492,347 2.624,348 3.25,349 2.612,350 8.69,351 2.292,352 3.777,353 3.3,354 5.428,355 3.117,356 2.228,357 3.153,358 0.86,359 6.405,360 1.913,361 3.288,362 2.768,363 5.06,364 2.9,365 2.078,366 2.366,367 0.8,368 5.731,369 1.686,370 2.786,371 2.576,372 4.128,373 2.291,374 1.472,375 1.789,377 3.374,378 1.18,379 2.647,380 2.171,381 4.004,382 2.075,383 1.199,384 1.65,386 2.932,387 0.986,388 2.203,389 1.554,390 3.508,391 1.952,392 1,393 1.085,395 2.276,396 0.946,397 2.046,398 1.256,399 3.247,400 1.726,401 0.855,402 1,404 2.136,405 0.723,406 2,407 1,408 2.669,409 1.143,410 0.176,411 0.317,413 0.237,414 0.167,415 1,416 0.62,417 2.462,418 0.458,419 -0.36,420 -0.405,422 -0.9,423 -0.241,424 0.812,425 0.325,426 2.159,428 -0.848,429 -0.941,431 -1.972,432 -0.604,433 0.48,434 -0.188,435 1.825,436 -0.065,437 -1,438 -1,440 -2,441 -0.846,442 0.168,443 -0.36,444 1.596,445 -0.149,446 -1,447 -1.254,449 -2.347,450 -0.895,451 0.033,452 -0.564,453 1.555,454 -0.15,455 -1,456 -1.965,458 -2.657,459 -1,461 -0.649,462 1.406,463 -0.543,464 -1.393,465 -2,466 -0.4,467 -3.228,468 -1.16,469 9.514,470 0.501,471 0.528,472 0.028,473 23,474 1.211,475 10.5,476 0.553,477 12.5,478 0.658,479 15.447,480 0.813,481 21.686,482 0.723,483 16.056,484 0.845,485 4.451,486 0.234,487 4.607,488 0.242,489 0.233,491 0.382,496 0.497,497 1.224,498 0.657,499 0.926,500 0.545,501 0.869,502 0.906,503 0.998,504 0.622,505 0.669,506 0.493,507 0.725,508 0.845,509 1.006,510 0.787,511 0.881,512 0.658,513 0.772,514 0.64,515 1.198,516 0.684,517 1.068,518 0.981,519 0.947,520 0.821,521 1.085,522 1.405,523 1.262,524 0.686,525 1.13,526 1.788,527 1.089,528 1.929,529 1.542,530 1.761,531 1.397,532 2.129,533 0.727,534 1.534,535 1.064,536 2.724,537 1.247,538 0.784,539 0.904,540 0.537,541 0.731,542 1.081,543 1.305,544 3.5,546 2.222,547 2.007,548 1.901,549 0.754,550 0.265,551 0.122,552 0.053,553 0.016,554 2535,555 11792,556 1.935,557 36.7,559 10,560 1,567 1.614,568 1.754,569 2.765,570 -0.517,572 1,574 1,575 63.934,576 2.131,577 3.682,578 4.107,579 4.107,580 4.107,581 4.107,582 2.249,583 3.682,584 4.217,585 2.852,586 487.732,587 7.239,588 4712.69,589 1,590 1,593 147.207,594 1.568,595 4.14,596 0.175,598 0.079,599 0.067,600 0.059,601 0.026,602 0.015,603 0.014,604 0.013,605 0.016,606 0.464,607 0.33,608 1,609 1.296,610 79.909,611 0.138,612 -0.047,613 0.067,614 0.023,615 -0.019,616 -0.009,617 -0.087,618 0.089,619 0.214,620 0.298,621 0.136,622 0.188,623 -0.027,624 0.044,625 0.108,626 0.073,627 0.025,628 0.182,629 0.184,630 -0.179,631 0.259,632 -0.072,633 -0.061,634 0.021,635 0.179,636 -0.124,637 -0.174,638 -0.226,639 0.333,640 -0.147,641 -0.512,642 -0.103,643 -0.65,644 -0.404,645 -0.348,646 -0.469,647 -0.543,648 0.107,649 -0.591,650 -0.102,651 -0.663,652 -0.38,653 0.141,654 -0.176,655 0.018,656 -0.085,657 -0.128,658 -0.305,659 2.84,660 4.784,661 0.579,662 12.133,663 1.047,664 1.123,665 1.44,666 2.075,667 0.726,668 3.045,669 3.367,670 3.664,671 3.97,672 4.143,673 4.06,674 3.97,675 3.912,676 3.664,677 3.296,678 4.234,679 0.691,680 322.82,681 3.045,682 4.575,683 5.434,684 6.333,685 7.226,686 8.135,687 9.039,688 9.95,689 10.859,690 11.771,691 6.7,697 1,702 1,713 1,714 4,716 5,731 1,732 1,737 1,738 30,739 9,741 20,743 31,744 10,745 4,748 2,752 2,753 2,754 1,768 6,769 4,772 4,773 1,775 1,778 3,780 1,783 1,785 1,786 1,789 11,790 5,792 9,793 3,797 2,803 1,804 4,822 1,823 1,843 1,854 1,855 2,857 2,860 1,862 19,864 1,869 4,872 1,875 1,880 1,885 1,886 13.3,889 1,890 1,892 2,893 10.833,894 5.376,895 4.333,896 1.632,898 1.344,899 1.219,900 0.939,901 4.946,902 7.484,903 3.314,904 3.855,905 4.399,906 4.963,907 5.349,908 5.517,909 5.444,910 5.564,911 5.373,912 4.977,913 0.8,914 30,915 7.088,917 3.1,918 8.307,919 12.868,921 10.407,924 2.807,925 53.333,929 129.482,930 94.602,931 8.794,932 39.149,933 83.903,935 50.41,936 44.191,937 252.534,938 8.794,939 5.67,940 37.005,941 19.133,942 33.156,943 10.311,944 50.92,945 148.989,946 50.747,947 129.482,948 52.986,949 83.903,950 89.559,952 129.482,953 22.156,954 61.747,956 15.07,957 32.246,958 5.67,959 89.559,960 129.482,961 92.698,962 133.751,965 148.615,966 51.861,967 16.636,969 138.819,970 129.482,971 92.698,972 133.751,973 0.577,974 0.353,975 0.205,976 0.121,977 13,978 7,979 0.129,980 4,982 1,983 2.923,984 139.73,986 11,987 74.711,989 1,991 1,993 14.906,994 6.304,995 2.992,997 87.028,1002 0.966,1003 0.561,1006 355.93,1007 26.5,1008 3.396,1010 -0.538,1013 34.276,1015 1.165,1018 -1.618,1020 31.407,1021 33.694,1022 0.434,1023 0.75,1024 0.837,1025 0.837,1026 0.837,1027 0.837,1028 4.557,1029 0.855,1030 5.442,1031 2.276,1032 4.043,1033 4.538,1034 3.467,1035 6.319,1036 3.771,1037 5.765,1038 0.176,1039 7.047,1040 2.136,1041 3.761,1042 4.575,1043 2.396,1044 7.413,1045 3.372,1046 7.09,1047 -0.36,1048 8.76,1049 0.237,1050 5.68,1051 6.74,1052 5.379,1053 10.576,1054 5.187,1055 8.459,1056 -0.848,1057 10.538,1058 -0.9,1059 6.236,1060 7.64,1061 4.51,1062 12.538,1063 5.653,1064 9.866,1065 -1,1066 12.357,1067 -1.972,1068 7.671,1069 9.328,1070 7.44,1071 15.243,1072 6.99,1073 11.302,1074 -1,1075 14.206,1076 -2,1077 8.595,1078 10.581,1079 6.556,1080 17.54,1081 7.829,1082 12.759,1083 -1,1084 16.076,1085 -2.347,1086 9.862,1087 12.123,1088 9.54,1089 20.101,1090 9.001,1091 3.329,1092 -1.393,1093 17.962,1094 -2.657,1095 10.945,1096 13.517,1097 8.548,1098 22.525,1099 9.996,1100 2.624,1101 12.174,1102 19.861,1103 -3.228,1104 12.158,1105 15.018,1106 11.658,1107 25.04,1108 11.115,1109 2.228,1110 8.69,1111 21.77,1112 4.451,1113 13.308,1114 16.47,1115 10.509,1116 27.511,1117 12.172,1118 2.078,1119 6.405,1120 23.687,1121 3.25,1122 14.506,1123 17.961,1124 13.789,1125 30.013,1126 13.275,1127 1.472,1128 5.731,1129 25.611,1130 3.153,1131 15.685,1132 19.435,1133 12.452,1134 32.501,1135 14.358,1136 1.199,1137 3.374,1138 27.539,1139 2.366,1140 16.881,1141 20.925,1142 15.928,1143 35,1144 15.457,1145 1,1146 2.932,1147 29.473,1148 1.789,1149 18.072,1150 22.41,1151 14.386,1152 37.495,1153 16.55,1154 2695,1155 5938,1156 12.542,1157 21.79,1158 30.771,1159 33.17,1160 32.325,1161 30.192,1162 29.922,1163 38.12,1164 14.445,1165 87.907,1166 25.808,1167 5.692,1168 6.634,1169 6.874,1170 5.401,1171 5.329,1172 7.166,1173 5.9,1174 19.524,1175 4.813,1176 11.189,1177 1.539,1178 1.658,1179 1.616,1180 1.51,1181 1.496,1182 1.906,1183 0.722,1184 4.395,1185 1.29,1186 4.035,1187 4.038,1188 4.533,1189 4.039,1190 7.815,1191 3.949,1192 3.712,1193 3.752,1194 4.038,1195 3.56,1196 7.398,1197 3.523,1198 3.553,1199 3.559,1200 3.637,1201 3.417,1202 6.999,1203 3.37,1204 3.33,1205 3.327,1206 3.587,1207 2.948,1208 4.858,1209 3.03,1210 3.111,1211 3.206,1212 3.129,1213 2.941,1214 4.638,1215 2.91,1216 2.865,1217 2.894,1218 2.866,1219 2.729,1220 4.604,1221 2.662,1222 2.704,1223 2.719,1224 2.829,1225 2.435,1226 4.054,1227 2.425,1228 2.096,1229 2.271,1230 2.763,1231 1.958,1232 3.655,1233 1.927,1234 0.235,1235 0.24,1236 0.354,1237 0.212,1238 0.166,1239 4.692,1240 0.223,1241 4.796,1242 0.148,1243 7.072,1244 0.609,1245 4.23,1246 0.151,1247 3.329,1248 4.451,1249 2.95,1250 12.174,1251 3.011,1252 1.761,1253 1.734,1254 1.926,1255 2.009,1256 1.213,1257 1.973,1258 1.634,1259 1.634,1260 1.654,1261 1.874,1262 0.854,1263 1.813,1264 1.418,1265 1.393,1266 1.516,1267 1.62,1268 0.825,1269 1.658,1270 1.209,1271 1.22,1272 1.513,1273 1.376,1274 0.591,1275 1.429,1276 1.153,1277 1.064,1278 1.093,1279 1.284,1280 0.337,1281 1.3,1282 0.811,1283 0.804,1284 0.827,1285 1.066,1286 0.17,1287 1.118,1288 0.588,1289 0.525,1290 0.785,1291 0.888,1293 0.916,1294 0.242,1295 0.262,1296 0.669,1297 0.563,1299 0.65,1300 3.714,1302 5.03,1303 2.398,1304 6.553,1305 4.844,1306 8.171,1307 7.05,1308 9.845,1311 6.091,1315 2.029,1318 5.209,1321 1.796,1326 20.738,1327 63.934,1328 110.452,1329 123.207,1330 123.207,1331 123.207,1332 123.207,1333 51.314,1334 6.14,1335 75.36,1336 122.81,1337 11,1338 12.286,1339 3.322,1340 2.907,1341 33.2,1342 47,1343 48,1344 0.367,1345 140.366,1346 244.77,1347 334.252,1348 2656,1349 3.3,1350 13.991,1351 0.736,1352 0.643,1353 15.133,1354 12.224,1355 9.058,1356 0.453,1357 0.39,1358 5.467,1359 7.248,1360 5.175,1361 4.219,1362 10.414,1363 7.792,1364 8.059,1365 0.288,1366 0.246,1367 10.173,1368 6.899,1369 6.579,1370 0.173,1371 0.142,1372 8.744,1373 5.396,1374 5.56,1375 0.107,1376 0.085,1377 7.916,1378 4.429,1379 4.601,1380 0.074,1381 0.051,1382 7.043,1383 3.186,1384 0.535,1385 72.25,1386 0.282,1387 18.358,1388 1.147,1389 96,1390 406.157,1391 191.228,1392 446.408,1393 570.53,1394 408,1395 114,1396 343.829,1397 191.633,1398 387.868,1399 566.34,1400 360,1401 5.474}
{0 CHEMBL1500447,1 1.733,2 9.182,3 4.17,4 17.387,5 86.368,6 9.663,7 0.522,8 3.652,9 3.733,10 3.413,11 3.284,12 4.917,13 3.263,14 4.116,15 4.224,16 3.802,17 3.648,18 5.469,19 3.601,20 4.434,21 4.595,22 3.904,23 3.753,24 5.729,25 3.682,26 4.42,27 4.584,28 3.893,29 3.66,30 5.769,31 3.588,32 4.326,33 4.492,34 3.759,35 3.567,36 5.842,37 3.523,38 4.327,39 4.483,40 3.804,41 3.543,42 5.821,43 3.51,44 4.246,45 4.412,46 3.659,47 3.42,48 5.717,49 3.382,50 3.979,51 4.132,52 3.535,53 3.264,54 5.469,55 3.191,56 0.115,57 0.427,58 4.091,59 2.929,60 16.559,61 3.192,62 0.247,63 0.671,64 7.64,65 4.913,66 44.301,67 5.662,68 0.541,69 0.868,70 19.736,71 7.126,72 69.633,73 7.948,74 0.632,75 0.819,76 24.597,77 7.276,78 90.375,79 7.505,80 0.569,81 0.747,82 18.138,83 6.657,84 102.261,85 7.61,86 0.559,87 0.735,88 19.951,89 6.623,90 73.062,91 6.951,92 0.572,93 0.658,94 18.81,95 6.122,96 85.4,97 6.082,98 0.481,99 0.484,100 15.597,101 4.879,102 68.608,103 4.979,104 27,105 31,106 0.317,107 0.632,108 0.758,109 0.873,110 0.887,111 0.887,112 3.146,113 0.946,114 -4.81,115 -4.72,116 -4.44,120 45.7,122 1,128 1,143 8,144 1,145 3,158 1,159 1,168 1,172 1,174 7,177 2,180 1,182 2,183 1,185 11,186 1,189 3,192 1,193 1,194 4,197 8,201 2,202 1,204 1,206 1,209 5,210 2,213 1,214 3,217 1,219 5,222 4,223 5,227 6,232 7,235 1,236 2,240 5,245 3,247 6,248 2,252 2,257 2,260 8,264 1,271 8,274 692,275 14.345,276 14.345,277 14.345,278 14.345,279 14.345,280 12.49,281 12.321,282 8.549,283 14.62,284 11.323,285 11.323,286 11.323,287 11.323,288 11.323,289 8.614,290 13.263,291 4.06,292 11.871,293 3.396,294 1.679,295 0.993,296 0.364,297 0.286,298 0.286,299 3.802,303 2,306 1,307 1,308 415,309 3.606,313 165.76,320 1.38,321 33.269,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48.167,333 202,334 4.257,335 3.787,336 6.187,337 3.923,338 2.951,339 3.885,340 2.375,341 9.161,342 2.912,343 4.154,344 3.559,345 6.032,346 3.767,347 2.796,348 3.676,349 1.277,350 8.61,351 2.663,352 3.829,353 3.229,354 5.77,355 3.529,356 2.554,357 3.043,358 0.458,359 7.684,360 2.439,361 3.438,362 2.737,363 4.951,364 2.959,365 2.086,366 2.74,368 5.762,369 1.809,370 3.255,371 2.251,372 4.297,373 2.798,374 1.776,375 2.506,377 4.127,378 1.738,379 2.852,380 2.161,381 4.18,382 2.374,383 1.47,384 1.977,386 3.756,387 1.257,388 2.63,389 1.688,390 3.662,391 2.208,392 1.21,393 1.626,395 2.82,396 1.191,397 2.5,398 1.323,399 3.389,400 2,401 1,402 1.5,404 2.156,405 1,406 2.337,407 1,408 3.247,409 1.901,410 0.894,411 1.18,413 2.136,414 0.881,415 1.506,416 0.778,417 2.851,418 1.142,419 0.248,420 0.295,422 0.587,423 0.195,424 0.838,425 0.57,426 2.359,427 0.489,428 -0.459,429 -0.54,431 -1.202,432 -0.293,433 0.79,434 0.324,435 2.318,436 0.28,437 -0.516,438 -0.621,440 -1.244,441 -0.395,442 0.731,443 0.256,444 1.953,445 0.269,446 -0.754,447 -1.039,449 -1.621,450 -0.752,451 0.5,452 -0.364,453 1.616,454 0.023,455 -1,456 -1.208,458 -2,459 -0.885,460 0.485,461 -0.608,462 1.555,464 -1,465 -1.42,467 -2.347,468 -0.977,469 10.829,470 0.492,471 0.617,472 0.028,473 28.75,474 1.307,475 15.5,476 0.705,477 13.25,478 0.602,479 16.178,480 0.735,481 23.371,482 0.668,483 21.121,484 0.96,485 5.929,486 0.269,487 4.541,488 0.206,489 0.224,491 0.323,496 0.694,497 1.02,498 0.537,499 0.75,500 0.668,501 0.759,502 0.545,503 1.293,504 0.634,505 0.972,506 0.507,507 0.998,508 0.957,509 1.055,510 0.974,511 0.988,512 0.999,513 1.032,514 1.27,515 0.981,516 0.96,517 0.942,518 1.384,519 1.015,520 0.849,521 1.043,522 0.735,523 0.971,524 0.939,525 0.931,526 1.126,527 1.089,528 0.933,529 1.118,530 1.16,531 1.012,532 1.463,533 0.874,534 0.939,535 0.868,536 1.553,537 0.867,538 1.188,539 0.785,540 1.118,541 0.95,542 1.253,543 0.946,544 5,545 0.062,546 2.667,547 1.375,548 1.284,549 0.771,550 0.509,551 0.38,552 0.16,553 0.081,554 4559,555 18305,556 1.944,557 37.1,559 9,562 2,563 2,567 1.648,568 1.784,569 3.189,570 0.348,572 1,575 60.664,576 1.733,577 3.451,578 4.136,579 4.765,580 4.844,581 4.844,582 2.681,583 3.659,584 4.433,585 3.31,586 764.656,587 7.628,588 8513.23,590 1,591 1,592 1,593 179.525,594 1.529,595 4.365,596 0.217,597 0.009,598 0.086,599 0.044,600 0.048,601 0.028,602 0.019,603 0.017,604 0.009,605 0.007,606 0.483,607 0.17,608 1,609 0.891,610 101.227,611 -0.085,612 0.071,613 -0.016,614 0.08,615 -0.09,616 0.057,617 0.099,618 -0.232,619 0.003,620 -0.109,621 0.114,622 -0.134,623 -0.045,624 -0.021,625 -0.078,626 -0.055,627 -0.1,628 -0.093,629 -0.158,630 0.003,631 -0.011,632 0.018,633 -0.202,634 -0.064,635 0.166,636 -0.078,637 0.074,638 -0.026,639 0.206,640 0.04,641 -0.007,642 -0.124,643 -0.005,644 -0.162,645 0.018,646 -0.06,647 -0.196,648 0.075,649 -0.002,650 0.105,651 -0.176,652 0.095,653 -0.018,654 0.132,655 0.004,656 0.067,657 -0.062,658 0.041,659 2.796,660 5.131,661 0.545,662 15.868,663 1.026,664 1.112,665 3.583,666 12.838,667 0.726,668 3.178,669 3.466,670 3.638,671 3.784,672 3.97,673 3.85,674 3.784,675 3.784,676 3.714,677 3.584,678 5.5,679 0.7,680 338.2,681 3.178,682 4.691,683 5.501,684 6.347,685 7.179,686 8.025,687 8.863,688 9.71,689 10.552,690 11.399,691 2.9,696 1,709 8,714 4,716 12,721 1,729 1,737 2,738 35,739 14,740 2,741 23,743 36,744 16,745 12,746 4,747 8,748 1,752 2,753 2,754 2,766 2,768 14,769 2,772 2,778 2,782 2,786 1,789 13,790 4,791 2,792 6,793 2,797 1,803 1,804 3,823 2,840 1,853 1,855 2,860 2,862 22,868 1,869 1,871 1,874 1,885 2,886 8.6,888 1,889 2,893 12.333,894 6.069,895 4.917,896 1.906,898 1.972,899 1.316,900 0.927,901 5.691,902 8.202,903 3.466,904 4.007,905 4.454,906 4.887,907 5.361,908 5.238,909 5.292,910 5.397,911 5.583,912 5.668,913 1,914 31,915 8.143,917 3.492,918 8.207,919 14.77,921 11.7,924 2.707,925 59.556,929 129.482,930 97.331,931 18.011,932 78.297,933 92.973,936 97.331,937 300.753,938 18.011,940 2.535,941 75.81,942 117.027,943 12.944,945 129.482,946 78.297,947 129.482,948 115.342,949 92.973,950 78.297,952 129.482,953 92.973,956 2.535,957 94.797,958 96.308,960 129.482,961 110.984,962 175.629,965 129.482,966 21.521,967 75.81,968 18.011,969 171.27,970 129.482,971 110.984,972 175.629,973 0.579,974 0.326,975 0.161,976 0.092,977 13,978 7,979 0.167,980 6,982 1,983 3.349,984 160.142,986 12,987 94.107,993 16.653,994 7.519,995 4.642,997 110.984,998 13.216,1003 1.63,1005 60.694,1006 416.095,1007 31,1013 23.496,1017 -1.388,1020 35.916,1021 38.921,1022 0.338,1023 0.673,1024 0.806,1025 0.929,1026 0.944,1027 0.944,1028 4.673,1029 1,1030 5.485,1031 2.82,1032 4.143,1033 4.691,1034 2.617,1035 6.236,1036 4.056,1037 5.871,1038 0.894,1039 7.02,1040 2.156,1041 3.761,1042 4.443,1043 2.243,1044 7.04,1045 3.571,1046 7.158,1047 0.248,1048 8.654,1049 2.136,1050 5.687,1051 6.785,1052 3.823,1053 10.069,1054 5.542,1055 8.475,1056 -0.459,1057 10.342,1058 0.587,1059 6.066,1060 7.27,1061 4.173,1062 11.643,1063 5.841,1064 9.819,1065 -0.516,1066 12.065,1067 -1.202,1068 7.501,1069 9.141,1070 5.335,1071 14.183,1072 7.306,1073 11.181,1074 -0.754,1075 13.809,1076 -1.244,1077 8.227,1078 9.979,1079 5.987,1080 16.077,1081 7.975,1082 12.557,1083 -1,1084 15.568,1085 -1.621,1086 9.452,1087 11.631,1088 6.979,1089 18.423,1090 9.214,1091 2.951,1092 -1,1093 17.338,1094 -2,1095 10.346,1096 12.665,1097 7.754,1098 20.467,1099 10.067,1100 2.796,1101 9.161,1102 19.115,1103 -2.347,1104 11.478,1105 14.195,1106 8.674,1107 22.727,1108 11.2,1109 2.554,1110 8.61,1111 20.899,1112 3.885,1113 12.454,1114 15.347,1115 9.5,1116 24.844,1117 12.147,1118 2.086,1119 7.684,1120 22.687,1121 3.676,1122 13.544,1123 16.805,1124 10.39,1125 27.067,1126 13.232,1127 1.776,1128 5.762,1129 24.478,1130 3.043,1131 14.562,1132 18.029,1133 11.238,1134 29.221,1135 14.228,1136 1.47,1137 4.127,1138 26.272,1139 2.74,1140 15.634,1141 19.443,1142 12.114,1143 31.428,1144 15.292,1145 1.21,1146 3.756,1147 28.068,1148 2.506,1149 16.673,1150 20.711,1151 12.971,1152 33.602,1153 16.314,1154 4640,1155 9409,1156 14.622,1157 25.415,1158 34.56,1159 35.705,1160 35.219,1161 34.247,1162 33.97,1163 44.855,1164 8.22,1165 93.598,1166 32.171,1167 5.156,1168 5.787,1169 5.989,1170 4.931,1171 4.951,1172 6.885,1173 3.987,1174 15.531,1175 4.912,1176 12.736,1177 1.503,1178 1.552,1179 1.531,1180 1.489,1181 1.477,1182 1.95,1183 0.357,1184 4.069,1185 1.399,1186 3.966,1187 3.99,1188 4.094,1189 3.892,1190 7.474,1191 3.889,1192 3.89,1193 3.911,1194 3.869,1195 3.838,1196 7.426,1197 3.83,1198 3.639,1199 3.665,1200 3.629,1201 3.478,1202 6.351,1203 3.49,1204 3.246,1205 3.246,1206 3.545,1207 3.015,1208 5.023,1209 3.05,1210 2.991,1211 3.015,1212 3.192,1213 2.84,1214 4.726,1215 2.833,1216 2.878,1217 2.925,1218 3.096,1219 2.774,1220 4.633,1221 2.757,1222 2.854,1223 2.921,1224 2.687,1225 2.735,1226 4.224,1227 2.715,1228 2.733,1229 2.79,1230 2.673,1231 2.534,1232 3.87,1233 2.544,1234 0.185,1235 0.165,1236 0.269,1237 0.171,1238 0.128,1239 4.257,1240 0.169,1241 3.787,1242 0.103,1243 6.187,1244 0.398,1245 3.923,1246 0.127,1247 2.951,1248 3.885,1249 2.375,1250 9.161,1251 2.912,1252 1.922,1253 1.899,1254 2.035,1255 2.022,1256 1.18,1257 2.026,1258 1.874,1259 1.855,1260 1.94,1261 1.954,1262 1.062,1263 1.964,1264 1.583,1265 1.55,1266 1.749,1267 1.762,1268 0.959,1269 1.759,1270 1.114,1271 1.102,1272 1.262,1273 1.392,1274 0.318,1275 1.342,1276 0.886,1277 0.838,1278 1.181,1279 1.147,1280 0.218,1281 1.109,1282 0.872,1283 0.824,1284 1.103,1285 1.062,1286 0.173,1287 1.107,1288 0.849,1289 0.821,1290 1.012,1291 1.015,1292 0.121,1293 1.055,1294 0.705,1295 0.652,1296 0.958,1297 0.929,1299 0.966,1300 3.85,1302 5.142,1304 6.619,1306 8.176,1308 9.773,1311 11.805,1314 9.292,1315 -0.182,1317 2.764,1320 -1.077,1326 24.508,1327 60.664,1328 120.77,1329 144.77,1330 166.77,1331 169.525,1332 169.525,1333 57.772,1334 6.23,1335 66.4,1336 66.4,1337 12,1338 11.96,1339 3.907,1340 3.17,1341 42.091,1342 70,1343 70,1344 0.287,1345 161.491,1346 285.51,1347 385.797,1348 3407,1349 5.7,1350 16.113,1351 0.732,1352 0.588,1353 17.113,1354 12.935,1355 10.469,1356 0.455,1357 0.315,1358 6.497,1359 9.6,1360 6.305,1361 5.193,1362 11.047,1363 7.254,1364 9.506,1365 0.307,1366 0.177,1367 10.286,1368 5.496,1369 7.287,1370 0.197,1371 0.097,1372 7.902,1373 3.592,1374 5.481,1375 0.127,1376 0.055,1377 6.162,1378 2.385,1379 4.373,1380 0.084,1381 0.029,1382 4.77,1383 1.514,1384 0.443,1385 71.307,1386 0.262,1387 21.692,1388 0.803,1389 108,1390 382.36,1391 147.624,1392 427.806,1393 538.52,1394 392,1395 122,1396 325,1397 151.551,1398 348.255,1399 501.32,1400 327,1401 6.796}
{0 CHEMBL1500923,1 1.65,2 7.722,3 3.443,4 11.856,5 70.538,6 9.456,7 0.8,8 3.431,9 3.495,10 3.263,11 3.164,12 4.692,13 3.119,14 3.858,15 3.936,16 3.676,17 3.539,18 5.243,19 3.471,20 4.04,21 4.181,22 3.635,23 3.574,24 5.261,25 3.473,26 4.009,27 4.162,28 3.506,29 3.442,30 5.237,31 3.32,32 3.749,33 3.889,34 3.359,35 3.2,36 4.983,37 3.115,38 3.553,39 3.681,40 2.971,41 3.018,42 4.909,43 2.949,44 3.475,45 3.672,46 2.582,47 2.845,48 4.515,49 2.733,50 3.328,51 3.535,52 2.439,53 2.537,54 4.578,55 2.46,56 0.047,57 0.309,58 3.407,59 2.258,60 7.849,61 2.292,62 0.145,63 0.507,64 6.042,65 3.639,66 26.626,67 3.847,68 0.115,69 0.646,70 10.608,71 5.189,72 15.433,73 5.515,74 0.214,75 0.678,76 14.047,77 5.578,78 32.327,79 4.952,80 0.17,81 0.514,82 12.583,83 4.578,84 22.511,85 3.987,86 0.141,87 0.387,88 6.646,89 2.992,90 16.406,91 3.222,92 0.058,93 0.347,94 5.381,95 2.773,96 9.237,97 3.612,98 0.061,99 0.295,100 5.556,101 2.572,102 8.036,103 3.255,104 6,105 28,106 0.314,107 0.553,108 0.67,109 0.811,110 0.85,111 0.85,112 2.961,113 0.937,114 -4.1,115 -4.05,116 -3.83,120 51.9,143 8,144 2,147 1,153 1,159 1,162 1,168 1,172 1,174 9,175 1,177 4,180 1,182 1,185 10,186 2,189 6,194 2,197 8,198 1,201 4,206 1,209 5,210 1,214 2,215 1,219 1,222 7,226 1,230 1,235 8,236 1,240 1,245 1,247 6,248 2,252 2,257 2,260 2,261 2,264 2,269 2,272 1,274 298,275 12.223,276 12.223,277 12.223,278 12.223,279 12.223,280 10.282,281 2.278,282 7.243,283 12.451,284 9.894,285 9.894,286 9.894,287 9.894,288 9.894,289 6.967,290 1.651,291 3.465,292 10.312,293 3.105,294 1.852,295 1.241,296 0.5,297 0.296,298 0.296,299 3.64,306 1,307 1,308 300,309 2.345,312 33.774,313 94.807,316 64.236,320 1.309,321 16.734,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38.5,333 139,334 4.539,335 3.58,336 6.398,337 4.022,338 3.09,339 4.474,340 1.437,341 9.974,342 2.896,343 4.102,344 3.052,345 6.009,346 3.717,347 2.733,348 3.664,350 8.57,351 2.669,352 3.851,353 2.585,354 5.754,355 3.419,356 2.437,357 3.321,359 7.635,360 2.375,361 3.206,362 1.924,363 4.433,364 2.695,365 1.734,366 2.515,368 4.357,369 1.655,370 3.022,371 1.667,372 4.391,373 2.451,374 1.523,375 2.279,377 4.253,378 1.394,379 2.797,380 1.517,381 3.784,382 2.266,383 1.266,384 1.839,386 2.94,387 1.247,388 2.507,389 1.033,390 3.481,391 2,392 1,393 1.5,395 2.506,396 1,397 2.5,398 1,399 3.247,400 1.948,401 1,402 1.494,404 2.136,405 0.933,406 1.894,407 0.516,408 3.141,409 1.293,410 0.392,411 0.583,413 1.024,414 0.346,415 0.885,416 0.357,417 2.443,418 0.41,419 -0.553,420 -0.751,422 -1.393,423 -0.523,424 0.705,425 -0.524,426 2.298,427 0.227,428 -0.764,429 -1.034,431 -1.99,432 -0.744,433 0.574,434 -0.724,435 2,436 0.032,437 -0.928,438 -1.35,440 -2,441 -0.85,442 0.5,443 -0.921,444 1.556,446 -1,447 -1.442,449 -2.347,450 -0.975,451 0.414,452 -1,453 1.555,454 -0.027,455 -1,456 -1.5,458 -2.706,459 -1,460 0.034,461 -1.403,462 1.487,463 -0.459,464 -1.408,465 -1.968,467 -4.468,468 -1.314,469 8.9,470 0.494,471 0.435,472 0.024,473 26.5,474 1.472,475 15.5,476 0.861,477 11,478 0.611,479 10.53,480 0.585,481 17.5,482 0.648,483 15.986,484 0.888,485 5.242,486 0.291,487 3.496,488 0.194,489 0.075,491 0.337,496 0.749,497 0.821,498 0.676,499 0.694,500 0.733,501 0.688,502 0.398,503 1.06,504 0.777,505 0.919,506 0.383,507 0.892,508 0.732,509 1.081,510 0.978,511 1.005,512 0.652,513 0.992,514 1.308,515 1.026,516 1.475,517 1.141,518 1.182,519 1.029,520 1.052,521 1.089,522 1.407,523 1.358,524 1.074,525 0.982,526 0.583,527 1.03,528 1.117,529 1.183,530 0.677,531 1.199,532 0.479,533 1.002,534 0.679,535 0.942,536 0.518,537 1.226,538 0.839,539 1.056,540 0.583,541 0.961,542 0.863,543 1.114,544 3.5,545 0.025,546 2,547 1.042,548 0.889,549 0.521,550 0.239,551 0.168,552 0.086,553 0.044,554 2811,555 9215,556 2.12,557 33.3,559 8,562 1,567 1.585,568 2,569 2.985,570 -0.28,574 1,575 44.55,576 1.65,577 2.903,578 3.514,579 4.255,580 4.459,581 4.459,582 2.489,583 3.614,584 4.14,585 3.074,586 470.395,587 7.021,588 4332.2,589 1,590 1,592 1,593 128.382,594 1.352,595 4.109,596 0.175,597 0.012,598 0.071,599 0.04,600 0.042,601 0.029,602 0.016,603 0.017,604 0.011,605 0.009,606 0.423,607 0.83,608 1,609 0.816,610 75.729,611 -0.09,612 0.06,613 0.025,614 0.116,615 -0.129,616 0.077,617 0.244,618 -0.136,619 0.061,620 -0.034,621 0.218,622 -0.084,623 -0.031,624 -0.108,625 0.02,626 -0.022,627 0.026,628 -0.039,629 -0.249,630 0.067,631 -0.199,632 0.008,633 -0.173,634 -0.038,635 -0.04,636 -0.032,637 -0.069,638 -0.17,639 -0.094,640 0.02,641 0.255,642 -0.083,643 -0.295,644 -0.315,645 0.133,646 -0.307,647 0.061,648 -0.147,649 -0.021,650 -0.163,651 0.014,652 -0.187,653 0.101,654 -0.203,655 0.178,656 -0.119,657 0.141,658 -0.016,659 2.577,660 3.906,661 0.833,662 12.173,663 1.014,664 1.093,665 2.868,666 8.228,667 0.763,668 3.045,669 3.367,670 3.638,671 3.892,672 4.127,673 4.205,674 4.331,675 4.407,676 4.344,677 4.234,678 4.643,679 0.731,680 255.31,681 3.045,682 4.575,683 5.425,684 6.301,685 7.174,686 8.057,687 8.939,688 9.826,689 10.712,690 11.602,691 3.7,701 1,708 2,709 8,710 1,713 1,714 3,716 16,725 1,738 27,739 17,740 2,741 20,743 29,744 14,745 13,746 4,747 8,748 1,752 3,753 4,768 14,772 1,778 1,782 1,786 1,789 9,790 3,791 1,792 4,793 1,797 1,803 0.667,804 2,822 1,823 2,826 1,853 1,855 2,857 1,862 18,868 1,879 1,886 7.4,888 1,889 1,893 9,894 4.9,895 3.917,896 1.518,898 3.198,899 1.487,900 1.002,901 2.746,902 9.759,903 3.401,904 4.056,905 4.702,906 5.34,907 5.929,908 6.322,909 6.81,910 7.24,911 7.474,912 7.744,913 1,914 26,915 6.614,917 2.859,918 7.935,919 12.407,921 10.234,924 2.435,925 43.833,926 0.001,929 94.169,930 118.188,931 16.786,933 67.828,935 31.278,936 86.911,937 161.997,938 16.786,941 75.81,942 86.453,943 8.515,944 0.746,945 125.447,947 94.169,948 103.696,949 67.828,950 31.278,952 94.169,953 67.828,956 3.074,957 83.837,958 16.786,959 31.278,960 94.169,961 84.614,962 118.188,965 94.169,966 42.378,967 75.81,969 84.614,970 94.169,971 84.614,972 118.188,973 0.583,974 0.336,975 0.176,976 0.1,977 15,978 6,979 0.069,980 2,981 1,982 1.133,983 3.09,984 131.187,985 0.133,986 15,987 71.059,989 1,993 11.209,994 4.409,995 2.115,996 1.734,997 84.614,998 14.877,999 4.509,1002 1.508,1003 2.259,1005 42.683,1006 296.971,1007 29,1013 10.906,1017 -0.911,1020 27.367,1021 29.498,1022 0.347,1023 0.611,1024 0.739,1025 0.895,1026 0.938,1027 0.938,1028 4.605,1029 1,1030 5.407,1031 2.506,1032 4.043,1033 4.741,1034 1.635,1035 6.209,1036 3.959,1037 5.835,1038 0.392,1039 6.959,1040 2.136,1041 3.611,1042 4.543,1044 7.071,1045 3.47,1046 7.148,1047 -0.553,1048 8.612,1049 1.024,1050 5.624,1051 7.02,1052 2.253,1053 10.155,1054 5.454,1055 8.501,1056 -0.764,1057 10.321,1058 -1.393,1059 6.019,1060 7.678,1062 11.836,1063 5.771,1064 9.886,1065 -0.928,1066 12.067,1067 -1.99,1068 7.501,1069 9.599,1070 2.922,1071 14.407,1072 7.232,1073 11.293,1074 -1,1075 13.836,1076 -2,1077 8.271,1078 10.672,1080 16.417,1081 7.915,1082 12.719,1083 -1,1084 15.622,1085 -2.347,1086 9.531,1087 12.35,1088 3.619,1089 18.804,1090 9.149,1091 3.09,1092 -1.408,1093 17.418,1094 -2.706,1095 10.478,1096 13.633,1098 20.96,1099 10.009,1100 2.733,1101 9.974,1102 19.222,1103 -4.468,1104 11.645,1105 15.202,1106 4.33,1107 23.277,1108 11.137,1109 2.437,1110 8.57,1111 21.032,1112 4.474,1113 12.677,1114 16.591,1116 25.5,1117 12.086,1118 1.734,1119 7.635,1120 22.847,1121 3.664,1122 13.807,1123 18.114,1124 5.047,1125 27.794,1126 13.166,1127 1.523,1128 4.357,1129 24.666,1130 3.321,1131 14.88,1132 19.556,1134 30.05,1135 14.161,1136 1.266,1137 4.253,1138 26.488,1139 2.515,1140 15.997,1141 21.06,1142 5.769,1143 32.338,1144 15.221,1145 1,1146 2.94,1147 28.312,1148 2.279,1149 17.092,1150 22.528,1152 34.611,1153 16.24,1154 2754,1155 5087,1156 13.523,1157 20.608,1158 30.738,1159 31.204,1160 30.874,1161 30.341,1162 30.351,1163 43.338,1164 2.873,1165 86.788,1166 29.027,1167 5.18,1168 5.58,1169 6.2,1170 5.135,1171 5.09,1172 7.474,1173 2.873,1174 16.599,1175 4.896,1176 7.206,1177 1.537,1178 1.56,1179 1.544,1180 1.517,1181 1.518,1182 2.167,1183 0.144,1184 4.339,1185 1.451,1186 4.086,1187 4.097,1188 4.333,1189 4.082,1190 7.475,1191 4.04,1192 3.846,1193 3.873,1194 3.78,1195 3.793,1196 6.351,1197 3.786,1198 3.448,1199 3.442,1200 3.568,1201 3.35,1202 4.973,1203 3.321,1204 3.066,1205 3.078,1206 3.117,1207 2.915,1208 4.698,1209 2.913,1210 2.854,1211 2.925,1212 2.789,1213 2.736,1214 4.176,1215 2.72,1216 2.833,1217 2.88,1218 2.687,1219 2.735,1220 3.705,1221 2.715,1222 2.671,1223 2.721,1224 2.562,1225 2.425,1226 3.674,1227 2.465,1228 2.113,1229 2.18,1230 2.239,1231 2.032,1232 3.525,1233 1.959,1234 0.227,1235 0.179,1236 0.32,1237 0.201,1238 0.155,1239 4.539,1240 0.224,1241 3.58,1242 0.072,1243 6.398,1244 0.499,1245 4.022,1246 0.145,1247 3.09,1248 4.474,1249 1.437,1250 9.974,1251 2.896,1252 1.915,1253 1.906,1254 2.011,1255 1.991,1256 1.129,1257 1.994,1258 1.9,1259 1.875,1260 1.968,1261 1.961,1262 1.083,1263 1.982,1264 1.254,1265 1.241,1266 1.288,1267 1.457,1268 0.453,1269 1.399,1270 1.127,1271 1.149,1272 1.181,1273 1.267,1274 0.218,1275 1.286,1276 0.886,1277 0.821,1278 1.136,1279 1.062,1280 0.198,1281 1.107,1282 0.847,1283 0.797,1284 1.072,1285 0.994,1286 0.176,1287 1.035,1288 0.569,1289 0.526,1290 0.802,1291 0.853,1293 0.852,1294 0.398,1295 0.362,1296 0.549,1297 0.585,1299 0.652,1300 3.714,1302 5.03,1303 2.398,1304 6.544,1305 4.727,1306 8.141,1307 6.843,1308 9.782,1314 8.952,1326 19.745,1327 44.55,1328 78.382,1329 94.872,1330 114.872,1331 120.382,1332 120.382,1333 23.44,1334 6.561,1335 50.19,1336 78.43,1337 17,1338 12.132,1339 4.17,1340 3.322,1341 25.767,1342 52,1343 42,1344 0.265,1345 125.382,1346 206.95,1347 297.691,1348 5143,1350 12.535,1351 0.696,1352 0.564,1353 12.889,1354 10.146,1355 8.737,1356 0.437,1357 0.312,1358 5.459,1359 8.094,1360 5.274,1361 4.365,1362 9.145,1363 6.248,1364 7.967,1365 0.285,1366 0.175,1367 8.609,1368 4.903,1369 6.651,1370 0.18,1371 0.101,1372 7.453,1373 3.723,1374 5.432,1375 0.113,1376 0.058,1377 6.354,1378 2.772,1379 4.451,1380 0.073,1381 0.032,1382 5.317,1383 1.937,1384 0.403,1385 58.069,1386 0.272,1387 17.938,1388 0.761,1389 96,1390 296.391,1391 128.661,1392 311.851,1393 423.71,1394 290,1395 113,1396 293.226,1397 142.316,1398 315.254,1399 463.09,1400 297,1401 5.233}
{0 CHEMBL1501680,1 1.771,2 8.435,3 4.074,4 16.6,5 87.386,6 9.161,7 0.68,8 3.703,9 3.808,10 3.439,11 3.308,12 4.94,13 3.302,14 4.172,15 4.301,16 3.77,17 3.652,18 5.451,19 3.634,20 4.385,21 4.567,22 3.834,23 3.683,24 5.704,25 3.662,26 4.339,27 4.542,28 3.699,29 3.644,30 5.505,31 3.608,32 4.306,33 4.487,34 3.772,35 3.654,36 5.531,37 3.622,38 4.331,39 4.524,40 3.788,41 3.658,42 5.573,43 3.608,44 4.28,45 4.45,46 3.728,47 3.641,48 5.625,49 3.575,50 4.32,51 4.516,52 3.585,53 3.575,54 5.593,55 3.459,56 0.094,57 0.583,58 4.598,59 2.922,60 7.173,61 3.285,62 0.209,63 0.903,64 10.749,65 4.878,66 16.408,67 5.561,68 0.493,69 1.097,70 15.464,71 5.929,72 53.939,73 6.488,74 0.341,75 1.031,76 15.455,77 5.728,78 36.064,79 6.734,80 0.347,81 0.954,82 12.845,83 5.211,84 29.866,85 6.153,86 0.411,87 0.966,88 16.34,89 5.676,90 31.871,91 6.761,92 0.348,93 0.93,94 13.382,95 6.195,96 27.959,97 7.285,98 0.399,99 0.854,100 19.208,101 7.179,102 54.829,103 8.141,104 13,105 34,106 0.318,107 0.6,108 0.722,109 0.825,110 0.838,111 0.838,112 3.189,113 0.897,114 -4.87,115 -4.78,116 -4.48,120 47.2,126 1,143 9,144 1,145 3,147 1,152 1,159 1,167 1,174 8,177 3,180 1,185 8,189 8,192 2,194 2,197 4,201 7,206 2,213 2,214 4,219 4,222 2,227 4,232 2,235 7,240 4,245 1,247 11,252 2,260 10,264 1,271 4,274 763,275 15.662,276 15.662,277 15.662,278 15.662,279 15.662,280 13.512,281 15.885,282 9.366,283 15.906,284 12.297,285 12.297,286 12.297,287 12.297,288 12.297,289 9.049,290 18.324,291 4.428,292 12.764,293 3.399,294 1.826,295 1.147,296 0.577,297 0.5,298 0.5,299 3.869,300 1,305 1,306 1,307 1,308 410,309 2.828,312 64.506,313 151.481,320 1.285,321 25.828,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50.333,333 194,334 4.505,335 3.637,336 6.595,337 4.109,338 3.142,339 4.219,340 2.092,341 10.576,342 3.036,343 4.071,344 3.177,345 6.054,346 3.67,347 2.7,348 3.66,349 0.466,350 8.732,351 2.615,352 3.832,353 2.91,354 5.375,355 3.428,356 2.461,357 3.341,359 6.872,360 2.368,361 3.594,362 2.709,363 5.016,364 3.212,365 2.244,366 2.808,368 5.98,369 2.145,370 3.333,371 2.125,372 4.79,373 2.881,374 1.91,375 2.658,377 5.238,378 1.838,379 3.049,380 1.901,381 4.354,382 2.611,383 1.633,384 2.247,386 4.1,387 1.588,388 2.541,389 1.748,390 3.943,391 2.063,392 1.093,393 1.553,395 2.878,396 1.054,397 2.5,398 1.21,399 3.483,400 2,401 1,402 1.5,404 2.479,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.379,416 1,417 3.247,418 1.869,419 0.917,420 1.324,422 2.136,423 0.868,424 1.5,425 0.978,426 2.852,427 1.042,428 0.353,429 0.383,431 0.504,432 0.193,433 1.174,434 0.405,435 2.507,436 0.748,437 -0.169,438 -0.213,440 -0.381,441 -0.148,442 0.991,443 0.302,444 2.383,445 0.568,446 -0.4,447 -0.512,449 -0.973,450 -0.364,451 0.733,452 -0.31,453 2,454 0.29,455 -0.688,456 -0.928,458 -1.597,459 -0.667,460 0.5,461 -0.582,462 1.877,464 -1,465 -1.383,467 -2.347,468 -1,469 11.033,470 0.48,471 0.503,472 0.022,473 32.5,474 1.413,475 18,476 0.783,477 14.5,478 0.63,479 14.84,480 0.645,481 23.767,482 0.66,483 23.423,484 1.018,485 6.666,486 0.29,487 4.503,488 0.196,489 0.121,491 0.308,494 1,496 0.566,497 0.971,498 0.545,499 0.848,500 0.533,501 0.801,502 0.726,503 1.201,504 0.908,505 1.129,506 0.624,507 1.036,508 0.994,509 1.008,510 0.776,511 0.925,512 1.026,513 0.95,514 0.925,515 1.024,516 0.82,517 0.89,518 0.757,519 0.912,520 0.726,521 0.906,522 0.737,523 0.843,524 0.63,525 0.908,526 0.753,527 0.751,528 0.932,529 0.916,530 0.628,531 0.941,532 0.799,533 0.842,534 0.829,535 1.042,536 0.994,537 1.077,538 1.245,539 0.954,540 1.313,541 1.15,542 1.412,543 1.2,544 4.5,545 0.037,546 2.444,547 1.257,548 1.073,549 0.98,550 0.545,551 0.268,552 0.238,553 0.139,554 5192,555 18780,556 2.067,557 36.1,559 11,560 1,562 1,567 1.665,568 1.944,569 3.08,570 -0.284,572 1,575 63.77,576 1.771,577 3.344,578 4.023,579 4.593,580 4.67,581 4.67,582 2.512,583 4.176,584 4.49,585 3.229,586 816.815,587 7.773,588 9312.26,590 1,591 1,592 1,593 186.117,594 1.371,595 4.458,596 0.18,597 0.007,598 0.072,599 0.038,600 0.035,601 0.031,602 0.018,603 0.01,604 0.011,605 0.011,606 0.412,607 0.5,608 1,609 1.17,610 106.317,612 -0.008,613 0.013,614 0.001,615 -0.054,616 0.012,617 -0.02,618 -0.253,619 -0.141,620 -0.242,621 -0.011,622 -0.18,623 -0.021,624 0.013,625 -0.015,626 -0.031,627 -0.049,628 -0.056,629 -0.14,630 -0.06,631 -0.045,632 0.006,633 -0.071,634 0.021,635 -0.013,636 -0.046,637 0.002,638 0.02,639 -0.004,640 -0.016,641 0.038,642 0.136,643 0.01,644 0.01,645 0.051,646 0.005,647 0.105,648 0.048,649 0.043,650 -0.06,651 0.027,652 -0.095,653 -0.156,654 -0.088,655 -0.11,656 -0.076,657 -0.18,658 -0.133,659 1.998,660 5.125,661 0.739,662 19.297,663 1.021,664 1.124,665 3.638,666 13.236,667 0.718,668 3.258,669 3.555,670 3.807,671 4.06,672 4.304,673 4.407,674 4.533,675 4.585,676 4.644,677 4.554,678 5.344,679 0.699,680 329.78,681 3.258,682 4.779,683 5.617,684 6.485,685 7.349,686 8.229,687 9.107,688 9.993,689 10.878,690 11.769,691 8.3,698 1,699 1,701 1,709 10,710 1,714 5,715 1,716 17,737 1,738 36,739 18,740 2,741 25,743 38,744 17,745 15,746 3,747 9,750 1,752 3,753 3,754 1,759 1,768 16,769 1,772 1,778 1,782 1,786 1,787 1,789 13,790 4,791 1,792 6,793 1,797 3,803 1,804 1,814 1,822 1,823 2,838 1,855 3,860 1,861 1,862 23,869 1,871 1,885 2,886 2.8,889 1,893 11.833,894 6.436,895 5.167,896 1.98,898 2.913,899 1.427,900 1.002,901 4.629,902 9.728,903 3.57,904 4.163,905 4.735,906 5.331,907 5.856,908 6.173,909 6.618,910 6.99,911 7.381,912 7.627,913 0.833,914 33,915 8.463,917 3.596,918 8.027,919 15.677,921 12.519,924 2.527,925 58.111,929 141.253,930 122.465,931 36.45,932 39.149,933 25.145,934 14.96,936 122.465,937 205.547,938 51.41,940 20.86,941 94.334,942 46.513,943 22.353,944 26.731,945 168.631,947 141.253,948 158.915,949 40.105,950 39.149,952 156.213,953 25.145,956 25.394,957 116.858,958 55.812,960 156.213,961 61.595,962 161.613,965 141.253,966 28.131,967 96.11,968 18.011,969 95.917,970 141.253,971 76.555,972 161.613,973 0.571,974 0.328,975 0.171,976 0.103,977 16,978 7,979 0.079,980 3,982 1,983 3.499,984 182.241,986 17,987 94.042,993 15.566,994 6.839,995 3.539,997 74.779,998 17.129,999 4.504,1003 2.286,1004 1.655,1005 18.011,1006 379.422,1007 34.5,1013 11.625,1017 -0.331,1020 36.771,1021 40.479,1022 0.343,1023 0.647,1024 0.778,1025 0.888,1026 0.903,1027 0.903,1028 4.773,1029 1,1030 5.587,1031 2.878,1032 4.234,1033 4.848,1034 2.216,1035 6.372,1036 4.162,1037 5.977,1038 1,1039 7.127,1040 2.479,1041 3.761,1042 4.543,1043 1.593,1044 7.222,1045 3.657,1046 7.273,1047 0.917,1048 8.766,1049 2.275,1050 5.796,1051 7.021,1052 3.353,1053 10.32,1054 5.658,1055 8.606,1056 0.353,1057 10.466,1058 2.136,1059 6.155,1060 7.546,1061 3.32,1062 12.033,1063 5.969,1064 9.97,1065 -0.169,1066 12.205,1067 0.504,1068 7.645,1069 9.468,1070 4.672,1071 14.642,1072 7.441,1073 11.356,1074 -0.4,1075 13.973,1076 -0.381,1077 8.395,1078 10.403,1079 4.943,1080 16.714,1081 8.142,1082 12.76,1083 -0.688,1084 15.762,1085 -0.973,1086 9.663,1087 12.072,1088 6.06,1089 19.153,1090 9.391,1091 3.142,1092 -1,1093 17.567,1094 -1.597,1095 10.607,1096 13.229,1097 6.506,1098 21.381,1099 10.289,1100 2.7,1101 10.576,1102 19.385,1103 -2.347,1104 11.784,1105 14.773,1106 7.482,1107 23.76,1108 11.443,1109 2.461,1110 8.732,1111 21.213,1112 4.219,1113 12.823,1114 16.053,1115 8.035,1116 26.055,1117 12.44,1118 2.244,1119 6.872,1120 23.049,1121 3.66,1122 13.966,1123 17.536,1124 8.923,1125 28.414,1126 13.556,1127 1.91,1128 5.98,1129 24.893,1130 3.341,1131 15.053,1132 18.884,1133 9.544,1134 30.74,1135 14.604,1136 1.633,1137 5.238,1138 26.741,1139 2.808,1140 16.186,1141 20.337,1142 10.377,1143 33.093,1144 15.707,1145 1.093,1146 4.1,1147 28.595,1148 2.658,1149 17.298,1150 21.724,1151 11.04,1152 35.433,1153 16.781,1154 5137,1155 9873,1156 16.701,1157 25.835,1158 37.247,1159 38.559,1160 38.403,1161 36.825,1162 36.909,1163 50.387,1164 5.117,1165 103.54,1166 35.412,1167 5.318,1168 5.637,1169 6.397,1170 5.131,1171 5.142,1172 7.219,1173 3.76,1174 17.458,1175 5.036,1176 10.557,1177 1.49,1178 1.542,1179 1.536,1180 1.473,1181 1.476,1182 2.015,1183 0.205,1184 4.142,1185 1.416,1186 4.064,1187 4.107,1188 4.036,1189 3.945,1190 8.201,1191 3.958,1192 3.868,1193 3.898,1194 3.81,1195 3.804,1196 7.429,1197 3.8,1198 3.701,1199 3.742,1200 3.8,1201 3.553,1202 4.994,1203 3.571,1204 3.493,1205 3.527,1206 3.598,1207 3.297,1208 4.689,1209 3.307,1210 2.935,1211 2.984,1212 3.063,1213 2.795,1214 4.658,1215 2.804,1216 2.854,1217 2.925,1218 2.882,1219 2.735,1220 4.515,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.85,1227 2.715,1228 2.809,1229 2.879,1230 2.687,1231 2.637,1232 3.674,1233 2.637,1234 0.18,1235 0.145,1236 0.264,1237 0.164,1238 0.126,1239 4.505,1240 0.169,1241 3.637,1242 0.084,1243 6.595,1244 0.423,1245 4.109,1246 0.121,1247 3.142,1248 4.219,1249 2.092,1250 10.576,1251 3.036,1252 1.905,1253 1.88,1254 2.016,1255 2.014,1256 1.093,1257 2.014,1258 1.896,1259 1.866,1260 1.993,1261 1.984,1262 1.08,1263 1.988,1264 1.546,1265 1.51,1266 1.656,1267 1.765,1268 0.781,1269 1.742,1270 1.286,1271 1.248,1272 1.44,1273 1.525,1274 0.608,1275 1.499,1276 1.199,1277 1.141,1278 1.281,1279 1.396,1280 0.338,1281 1.382,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.742,1295 0.689,1296 0.98,1297 0.963,1298 0.06,1299 0.967,1300 3.932,1302 5.231,1303 2.398,1304 6.723,1305 4.727,1306 8.297,1307 6.843,1308 9.916,1311 5.556,1312 13.125,1315 -0.153,1317 2.715,1326 25.151,1327 63.77,1328 120.369,1329 144.833,1330 165.362,1331 168.117,1332 168.117,1333 39.837,1334 6.816,1335 46.92,1336 46.92,1337 17,1338 12.299,1339 4.248,1340 3.392,1341 36.498,1342 71,1343 75,1344 0.251,1345 159.224,1346 272.19,1347 380.266,1348 6861,1349 5.6,1350 16.234,1351 0.706,1352 0.556,1353 15.864,1354 12.795,1355 11.169,1356 0.447,1357 0.299,1358 6.89,1359 10.452,1360 6.715,1361 5.553,1362 11.129,1363 7.475,1364 9.823,1365 0.289,1366 0.151,1367 9.405,1368 5.127,1369 8.17,1370 0.186,1371 0.079,1372 8.108,1373 3.491,1374 6.438,1375 0.113,1376 0.039,1377 6.37,1378 2.25,1379 5.358,1380 0.073,1381 0.021,1382 5.236,1383 1.528,1384 0.381,1385 73.738,1386 0.245,1387 22.301,1388 0.731,1389 118,1390 427.673,1391 142.183,1392 418.577,1393 549.93,1394 390,1395 137,1396 375.173,1397 158.178,1398 379.047,1399 551.35,1400 356,1401 5.16}
{0 CHEMBL1502054,1 1.63,2 11.767,3 4.626,4 21.401,5 107.433,6 8.028,7 0.485,8 4.064,9 4.162,10 3.675,11 3.606,12 5.215,13 3.605,14 4.651,15 4.801,16 4.178,17 4.026,18 6.196,19 4.024,20 4.903,21 5.064,22 4.223,23 4.204,24 6.148,25 4.172,26 5.087,27 5.287,28 4.145,29 4.197,30 6.305,31 4.145,32 4.993,33 5.215,34 4.039,35 4.089,36 6.137,37 4.033,38 4.929,39 5.128,40 4.024,41 4.01,42 6.35,43 3.956,44 4.908,45 5.167,46 3.805,47 3.875,48 6.124,49 3.806,50 4.694,51 4.941,52 3.641,53 3.682,54 5.957,55 3.631,56 0.147,57 0.912,58 9.269,59 5.375,60 29.799,61 5.952,62 0.889,63 1.859,64 20.599,65 9.069,66 148.11,67 10.542,68 0.641,69 1.78,70 26.456,71 11.786,72 68.707,73 13.947,74 1.057,75 1.989,76 36.884,77 13.663,78 148.402,79 15.95,80 0.898,81 1.777,82 34.531,83 12.23,84 133.436,85 15.042,86 1.224,87 1.754,88 31.465,89 11.294,90 192.888,91 13.425,92 1.117,93 1.831,94 35.158,95 11.482,96 175.281,97 13.458,98 1.069,99 1.399,100 28.485,101 8.645,102 137.088,103 10.072,104 51,105 51,106 0.272,107 0.593,108 0.736,109 0.806,110 0.84,111 0.84,112 3.441,113 0.889,114 -4.91,115 -4.82,116 -4.52,120 44.2,121 2,122 2,126 2,131 1,133 1,143 7,144 5,153 2,159 1,174 13,176 1,177 5,182 3,185 17,188 2,189 5,194 2,197 14,201 8,204 1,206 2,209 8,214 9,219 1,222 6,227 7,230 1,235 4,240 6,243 1,245 1,247 5,252 4,257 2,260 8,264 3,269 2,271 10,274 1344,275 19.289,276 19.289,277 19.289,278 19.289,279 19.289,280 17.34,281 23.77,282 10.675,283 19.665,284 16.204,285 16.204,286 16.204,287 16.204,288 16.204,289 13.156,290 29.772,291 5.006,292 16.891,293 4.07,294 2.142,295 1.282,296 0.866,297 0.659,298 0.659,299 4.126,306 1,307 1,308 761,309 4,312 69.657,313 293.085,316 135.34,320 1.864,321 56.654,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 68,333 353,334 4.67,335 4.461,336 7.479,337 4.43,338 3.469,339 4.609,340 3.825,341 13.219,342 3.34,343 4.586,344 3.818,345 7.107,346 4.247,347 3.285,348 3.983,349 1.2,350 11.653,351 3.242,352 4.352,353 3.704,354 6.834,355 4.139,356 3.243,357 3.502,358 0.765,359 11.244,360 2.832,361 4.044,362 3.126,363 6.215,364 3.725,365 2.747,366 3.444,367 0.293,368 9.086,369 2.684,370 3.599,371 2.488,372 5.429,373 3.26,374 2.277,375 2.92,377 6.658,378 2.233,379 3.393,380 2.334,381 5.112,382 3.013,383 2.054,384 2.634,386 5.922,387 1.95,388 3.285,389 2.185,390 4.954,391 2.878,392 1.893,393 2.57,395 5.67,396 1.852,397 3.009,398 1.988,399 4.82,400 2.662,401 1.677,402 2.146,404 4.995,405 1.64,406 2.697,407 1.538,408 4.488,409 2.286,410 1.324,411 1.756,413 3.975,414 1.255,415 2.563,416 1.53,417 3.909,418 2.086,419 1.099,420 1.589,422 2.561,423 1.074,424 2.38,425 1.141,426 3.802,427 1.984,428 1,429 1.258,431 2.452,432 0.983,433 2.158,434 1.077,435 3.504,436 1.964,437 0.948,438 1,440 2.372,441 0.956,442 2,443 0.921,444 3.404,445 1.7,446 0.687,447 0.971,449 1.718,450 0.693,451 1.166,452 0.51,453 3.037,454 0.885,455 -0.094,456 -0.104,458 -0.227,459 -0.091,460 0.982,461 0.51,462 2.715,463 0.77,464 -0.238,465 -0.292,467 -0.558,468 -0.238,469 13.757,470 0.459,471 1.176,472 0.039,473 34.5,474 1.15,475 15.5,476 0.517,477 19,478 0.633,479 29.52,480 0.984,481 33.643,482 0.647,483 29.723,484 0.991,485 6.853,486 0.228,487 7.229,488 0.241,489 0.183,490 0.073,491 0.32,493 3,496 0.616,497 0.953,498 0.68,499 1.057,500 0.622,501 0.944,502 0.484,503 0.709,504 0.634,505 0.918,506 0.396,507 0.853,508 0.686,509 0.883,510 0.878,511 1.133,512 0.608,513 1.099,514 1.058,515 0.926,516 1.11,517 1.071,518 1.028,519 1.108,520 0.93,521 0.844,522 0.967,523 0.959,524 0.897,525 0.974,526 0.89,527 1.014,528 1.103,529 1.125,530 0.781,531 1.18,532 1.239,533 1.092,534 1.126,535 0.918,536 1.34,537 0.948,538 1.32,539 0.729,540 1.179,541 0.711,542 1.444,543 0.828,544 9,545 0.196,546 5.333,547 3.139,548 2.049,549 1.761,550 0.815,551 0.44,552 0.404,553 0.306,554 11788,555 38478,556 2.012,557 42.3,558 6,559 11,562 1,565 4,567 1.726,568 1.818,569 3.515,570 -0.349,575 84.764,576 1.63,577 3.559,578 4.418,579 4.835,580 5.042,581 5.042,582 2.978,583 4.457,584 4.88,585 3.698,586 1608.65,587 8.497,588 22150.7,590 1,593 296.423,594 1.8,595 4.79,596 0.273,597 0.008,598 0.105,599 0.059,600 0.045,601 0.042,602 0.021,603 0.014,604 0.015,605 0.012,606 0.594,607 0.5,608 1,609 0.817,610 154.174,611 -0.038,612 -0.032,613 0.024,614 0.011,615 -0.091,616 0.033,617 0.317,618 0.293,619 0.206,620 0.1,621 0.357,622 0.109,623 0.01,624 -0.097,625 -0.041,626 -0.14,627 0.026,628 -0.12,629 -0.134,630 -0.096,631 -0.152,632 -0.109,633 -0.122,634 -0.134,635 -0.099,636 -0.078,637 -0.002,638 -0.015,639 -0.083,640 0.016,641 0.082,642 -0.121,643 -0.133,644 -0.173,645 0.134,646 -0.223,647 -0.118,648 0.015,649 -0.04,650 0.048,651 -0.151,652 0.048,653 -0.133,654 0.328,655 -0.092,656 0.227,657 -0.203,658 0.13,659 5.722,660 6.01,661 0.7,662 28.707,663 1.024,664 1.137,665 3.681,666 13.548,667 0.66,668 3.526,669 3.951,670 4.22,671 4.454,672 4.718,673 4.82,674 4.92,675 4.997,676 5.037,677 5.147,678 6.999,679 0.647,680 417.46,681 3.526,682 5.13,683 6.004,684 6.923,685 7.817,686 8.734,687 9.636,688 10.552,689 11.457,690 12.373,691 1.9,698 1,708 2,709 7,712 1,714 5,716 16,724 1,738 52,739 17,740 2,741 33,743 55,744 23,745 14,746 5,747 7,748 1,752 4,753 5,759 3,763 2,764 1,765 1,766 2,768 15,769 8,770 1,772 1,778 1,782 1,786 1,787 3,788 1,789 22,790 7,791 1,792 7,797 1,803 0.75,804 3,807 1,822 1,823 3,826 1,853 1,855 3,859 2,861 3,862 30,868 1,869 4,875 1,876 2,885 3,886 5.8,887 1,889 1,891 1,893 16.5,894 9.995,895 6.222,896 3.157,898 3.001,899 1.382,900 0.956,901 5.097,902 10.854,903 3.761,904 4.416,905 5.01,906 5.582,907 6.115,908 6.403,909 6.737,910 6.995,911 6.956,912 7.079,913 0.875,914 53,915 11.714,917 5.714,918 8.244,919 20.704,921 17.694,924 2.744,925 82.333,927 1,928 1,929 247.193,930 131.329,931 3.124,933 77.336,934 44.88,936 131.329,937 324.529,938 48.005,939 17.65,940 12.405,941 109.017,942 29.85,943 69.703,944 10.285,945 247.193,946 7.76,947 247.193,948 134.453,949 122.216,952 200.109,953 126.617,954 42.683,956 37.815,957 96.639,960 292.073,961 80.46,962 131.329,965 254.953,966 39.585,967 87.108,969 122.216,970 247.193,971 125.34,972 131.329,973 0.615,974 0.357,975 0.175,976 0.099,977 27,978 13,979 0.036,980 2,981 1,982 1.095,983 3.968,984 277.443,985 0.095,986 21,987 138.452,993 20.804,994 7.351,995 3.845,996 1.523,997 125.34,998 10.479,1001 5.78,1003 1.52,1005 42.683,1006 503.862,1007 42,1013 13.01,1017 -0.271,1020 53.225,1021 59.128,1022 0.286,1023 0.624,1024 0.775,1025 0.848,1026 0.884,1027 0.884,1028 5.069,1029 1.677,1030 6.089,1031 5.67,1032 4.635,1033 5.103,1034 3.215,1035 7.02,1036 4.562,1037 6.337,1038 1.324,1039 7.745,1040 4.995,1041 4.635,1042 5.165,1043 3.911,1044 8.412,1045 4.444,1046 7.703,1047 1.099,1048 9.515,1049 3.975,1050 6.435,1051 7.37,1052 5.439,1053 11.436,1054 6.273,1055 9.103,1056 1,1057 11.35,1058 2.561,1059 7.186,1060 8.191,1061 6.691,1062 13.579,1063 6.919,1064 10.533,1065 0.948,1066 13.226,1067 2.452,1068 8.576,1069 9.964,1070 8.059,1071 16.239,1072 8.312,1073 11.984,1074 0.687,1075 15.13,1076 2.372,1077 9.612,1078 11.133,1079 9.389,1080 18.636,1081 9.271,1082 13.45,1083 -0.094,1084 17.053,1085 1.718,1086 10.875,1087 12.74,1088 10.734,1089 21.202,1090 10.517,1091 3.469,1092 -0.238,1093 18.99,1094 -0.227,1095 12.018,1096 14.081,1097 12.074,1098 23.688,1099 11.605,1100 3.285,1101 13.219,1102 20.938,1103 -0.558,1104 13.242,1105 15.623,1106 13.417,1107 26.233,1108 12.802,1109 3.243,1110 11.653,1111 22.894,1112 4.609,1113 14.427,1114 17.051,1115 14.758,1116 28.756,1117 13.945,1118 2.747,1119 11.244,1120 24.856,1121 3.983,1122 15.641,1123 18.57,1124 16.1,1125 31.3,1126 15.129,1127 2.277,1128 9.086,1129 26.823,1130 3.502,1131 16.843,1132 20.042,1133 17.441,1134 33.841,1135 16.295,1136 2.054,1137 6.658,1138 28.795,1139 3.444,1140 18.056,1141 21.555,1142 18.783,1143 36.391,1144 17.478,1145 1.893,1146 5.922,1147 30.77,1148 2.92,1149 19.266,1150 23.05,1151 20.124,1152 38.941,1153 18.656,1154 11306,1155 20640,1156 20.978,1157 34.319,1158 52.381,1159 52.019,1160 53.749,1161 51.695,1162 51.407,1163 64.762,1164 12.166,1165 163.053,1166 49.466,1167 5.67,1168 6.461,1169 7.018,1170 5.465,1171 5.469,1172 7.609,1173 5.335,1174 20.792,1175 5.34,1176 18.922,1177 1.587,1178 1.576,1179 1.629,1180 1.567,1181 1.558,1182 1.962,1183 0.369,1184 4.941,1185 1.499,1186 4.132,1187 4.139,1188 4.102,1189 4.039,1190 8.513,1191 4.051,1192 3.992,1193 4.017,1194 3.942,1195 3.916,1196 7.999,1197 3.916,1198 3.767,1199 3.815,1200 3.692,1201 3.616,1202 7.999,1203 3.624,1204 3.544,1205 3.577,1206 3.472,1207 3.426,1208 7.428,1209 3.427,1210 3.329,1211 3.374,1212 3.312,1213 3.059,1214 6.447,1215 3.103,1216 3.183,1217 3.227,1218 3.101,1219 2.967,1220 5.092,1221 2.97,1222 3.135,1223 3.21,1224 2.955,1225 2.941,1226 4.671,1227 2.952,1228 3.111,1229 3.206,1230 2.866,1231 2.936,1232 4.396,1233 2.91,1234 0.142,1235 0.135,1236 0.227,1237 0.134,1238 0.105,1239 4.67,1240 0.14,1241 4.461,1242 0.116,1243 7.479,1244 0.401,1245 4.43,1246 0.101,1247 3.469,1248 4.609,1249 3.825,1250 13.219,1251 3.34,1252 1.966,1253 1.942,1254 2.083,1255 2.079,1256 1.398,1257 2.08,1258 1.948,1259 1.929,1260 2.049,1261 2.019,1262 1.203,1263 2.029,1264 1.742,1265 1.701,1266 1.901,1267 1.918,1268 1.063,1269 1.909,1270 1.546,1271 1.523,1272 1.735,1273 1.722,1274 0.848,1275 1.715,1276 1.255,1277 1.207,1278 1.523,1279 1.488,1280 0.825,1281 1.499,1282 1.153,1283 1.095,1284 1.513,1285 1.441,1286 0.587,1287 1.429,1288 1.138,1289 1.064,1290 1.336,1291 1.376,1292 0.513,1293 1.386,1294 1.048,1295 0.999,1296 1.205,1297 1.337,1298 0.267,1299 1.304,1300 4.205,1302 5.602,1303 2.398,1304 7.186,1305 4.844,1306 8.847,1307 7.034,1308 10.546,1310 3.8,1312 39.063,1314 10.974,1315 0.749,1321 1.583,1322 -5.877,1326 33.637,1327 84.764,1328 185.062,1329 229.752,1330 251.403,1331 262.158,1332 262.158,1333 83.481,1334 7.852,1335 53.68,1336 53.68,1337 23,1338 12.886,1339 4.17,1340 3.322,1341 47.243,1342 129,1343 114,1344 0.183,1345 200.779,1346 358.78,1347 481.661,1348 28272,1349 5.8,1350 21.681,1351 0.723,1352 0.557,1353 19.181,1354 16.715,1355 14.082,1356 0.427,1357 0.296,1358 9.614,1359 13.452,1360 9.37,1361 7.679,1362 12.871,1363 9.775,1364 14.378,1365 0.282,1366 0.156,1367 12.42,1368 7.958,1369 11.712,1370 0.175,1371 0.088,1372 10.749,1373 5.891,1374 9.192,1375 0.108,1376 0.047,1377 8.65,1378 4.036,1379 7.698,1380 0.069,1381 0.027,1382 7.225,1383 2.955,1384 0.29,1385 89.212,1386 0.218,1387 28.26,1388 0.499,1389 168,1390 659.599,1391 196.622,1392 552.034,1393 722.85,1394 510,1395 202,1396 511.756,1397 225.44,1398 497.87,1399 755.89,1400 467,1401 4.26}
{0 CHEMBL1502104,1 1.479,2 7.696,3 2.469,4 6.094,5 88.448,6 8.172,7 0.462,8 3.733,9 3.831,10 3.391,11 3.375,12 4.924,13 3.362,14 4.226,15 4.351,16 3.788,17 3.779,18 5.407,19 3.754,20 4.456,21 4.617,22 3.88,23 3.89,24 5.621,25 3.859,26 4.513,27 4.675,28 3.9,29 3.899,30 5.759,31 3.873,32 4.518,33 4.657,34 3.921,35 3.84,36 6.031,37 3.83,38 4.457,39 4.628,40 3.632,41 3.758,42 5.716,43 3.696,44 4.363,45 4.572,46 3.327,47 3.599,48 5.519,49 3.49,50 4.142,51 4.408,52 2.768,53 3.283,54 5.148,55 3.096,56 0.02,57 0.49,58 5.902,59 3.08,60 7.169,61 3.65,62 0.142,63 0.815,64 10.76,65 5.127,66 13.623,67 6.296,68 0.111,69 0.998,70 15.644,71 6.944,72 27.284,73 8.498,74 0.159,75 1.057,76 16.897,77 7.148,78 30.595,79 8.439,80 0.398,81 1.025,82 17.086,83 7.068,84 76.807,85 7.882,86 0.255,87 0.967,88 17.033,89 7.002,90 56.932,91 7.914,92 0.227,93 0.907,94 16.4,95 6.547,96 44.94,97 7.945,98 0.159,99 0.72,100 14.751,101 5.914,102 37.844,103 7.975,104 12,105 38,106 0.262,107 0.568,108 0.703,109 0.818,110 0.866,111 0.894,112 3.191,113 0.853,114 -4.36,115 -4.29,116 -4.05,120 51.4,126 1,135 1,136 1,137 2,143 8,144 2,145 2,159 2,174 12,176 1,177 6,180 1,182 3,185 12,189 8,194 3,197 11,201 9,206 2,209 11,213 2,214 8,217 2,219 1,222 13,227 6,232 2,235 11,240 4,245 2,247 9,252 1,257 1,260 7,271 4,274 674,275 15.905,276 15.905,277 15.905,278 15.905,279 15.905,280 13.955,281 18.154,282 9.376,283 16.014,284 12.809,285 12.809,286 12.809,287 12.809,288 12.809,289 9.714,290 24.111,291 4.329,292 12.974,293 3.73,294 2.001,295 1.243,296 0.595,297 0.324,298 0.162,299 3.887,305 1,306 1,307 1,308 388,309 2.55,312 77.223,313 100.812,316 150.239,320 1.04,321 24.928,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49,333 177,334 4.772,335 3.87,336 7.232,337 4.432,338 3.443,339 4.385,340 1.23,341 12.809,342 3.406,343 4.355,344 3.604,345 6.678,346 4.041,347 3.061,348 3.906,349 1.058,350 10.745,351 2.994,352 3.724,353 2.786,354 5.847,355 3.275,356 2.287,357 3.176,358 0.521,359 7.802,360 2.263,361 3.54,362 2.758,363 5.607,364 3.173,365 2.182,366 2.784,368 6.924,369 2.152,370 3.286,371 2.416,372 5.236,373 2.935,374 1.926,375 2.421,377 5.767,378 1.925,379 2.928,380 1.942,381 4.734,382 2.571,383 1.587,384 2.051,386 4.767,387 1.557,388 2.841,389 1.576,390 3.835,391 2.362,392 1.354,393 1.97,395 2.965,396 1.361,397 2.839,398 1.49,399 3.716,400 2.359,401 1.354,402 1.97,404 2.935,405 1.358,406 2.733,407 1.452,408 3.61,409 2.25,410 1.256,411 1.677,413 2.718,414 1.246,415 2.446,416 1.026,417 3.553,418 1.874,419 0.872,420 1.3,422 2.06,423 0.871,424 1.971,425 0.877,426 3.168,427 1.498,428 0.509,429 0.668,431 1.114,432 0.501,433 1.437,434 0.527,435 2.749,436 1.022,437 -0.003,438 -0.004,440 -0.007,441 -0.003,442 1.078,443 0.366,444 2.415,445 0.617,446 -0.411,447 -0.575,449 -0.904,450 -0.414,451 0.817,452 -0.307,453 2.324,454 0.365,455 -0.652,456 -0.911,458 -1.409,459 -0.661,460 0.619,461 -0.627,462 2.149,463 0.152,464 -0.843,465 -1.153,467 -2.029,468 -0.838,469 10.967,470 0.477,471 0.538,472 0.023,473 33.25,474 1.446,475 18.5,476 0.804,477 14.75,478 0.641,479 14.898,480 0.648,481 22.633,482 0.612,483 24.76,484 1.077,485 6.8,486 0.296,487 4.419,488 0.192,489 0.106,491 0.401,496 0.625,497 1.083,498 0.679,499 0.876,500 0.551,501 0.796,502 0.547,503 1.061,504 0.759,505 0.917,506 0.551,507 0.876,508 0.905,509 1.038,510 0.79,511 0.945,512 0.884,513 0.863,514 1.181,515 1.022,516 0.905,517 0.966,518 1.076,519 0.898,520 1.39,521 1.02,522 0.99,523 1.034,524 1.524,525 0.973,526 1.572,527 1.052,528 1.252,529 1.054,530 1.622,531 1.101,532 1.271,533 1.033,534 1.333,535 1.112,536 1.215,537 1.207,538 0.748,539 0.96,540 1.2,541 1.114,542 0.697,543 1.209,544 3,545 0.012,546 2.667,547 3.028,548 1.569,549 1.164,550 0.464,551 0.243,552 0.096,553 0.026,554 4872,555 13210,556 2.141,557 37.8,559 13,562 1,567 1.668,568 2,569 2.921,570 -0.369,571 1,572 1,574 1,575 54.736,576 1.479,577 3.208,578 3.966,579 4.615,580 4.885,581 5.047,582 2.353,583 4.263,584 4.495,585 3.005,586 760.369,587 7.796,588 8185.33,589 1,590 1,592 1,593 192.75,594 1.422,595 4.454,596 0.115,597 0.012,598 0.07,599 0.074,600 0.038,601 0.029,602 0.015,603 0.012,604 0.009,605 0.006,606 0.381,607 0.5,608 1,609 0.973,610 103.371,611 -0.036,612 -0.06,613 0.041,614 0.014,615 -0.069,616 0.035,617 0.159,618 -0.024,619 0.031,620 -0.018,621 0.012,622 -0.019,623 -0.023,624 -0.053,625 0.111,626 0.003,627 -0.036,628 0.066,629 -0.096,630 -0.02,631 0.022,632 -0.027,633 -0.014,634 0.014,635 0.174,636 -0.038,637 -0.028,638 -0.1,639 0.16,640 -0.101,641 -0.268,642 -0.092,643 -0.273,644 -0.091,645 -0.226,646 -0.169,647 -0.222,648 -0.056,649 -0.319,650 -0.134,651 -0.162,652 -0.219,653 -0.045,654 -0.039,655 -0.106,656 -0.068,657 0.009,658 -0.091,659 1.898,660 5.935,661 0.783,662 14.578,663 1.004,664 1.106,665 3.13,666 9.795,667 0.716,668 3.296,669 3.664,670 4.06,671 4.454,672 4.718,673 4.828,674 5.011,675 5.124,676 5.063,677 5.069,678 4.637,679 0.693,680 302.35,681 3.296,682 4.86,683 5.765,684 6.696,685 7.628,686 8.569,687 9.51,688 10.455,689 11.399,690 12.345,691 5.4,698 2,709 8,714 4,716 12,738 37,739 16,740 2,741 26,743 40,744 19,745 12,746 4,747 8,748 4,752 4,753 6,768 18,769 1,772 4,773 1,778 2,780 1,782 4,785 1,786 1,789 14,790 4,791 1,792 4,797 2,803 0.5,804 2,822 2,823 2,826 2,838 1,839 1,843 1,845 1,846 2,855 2,862 23,869 1,871 1,875 1,886 5.4,889 2,893 11.5,894 6.783,895 5.083,896 2.179,898 3.181,899 1.427,900 1.047,901 3.085,902 10.639,903 3.611,904 4.205,905 4.856,906 5.504,907 6.096,908 6.392,909 6.855,910 7.269,911 7.52,912 7.803,913 1,914 41,915 8.533,917 3.805,918 7.862,919 16.05,921 13.615,924 2.362,925 54.333,929 153.024,930 130.824,931 21.135,933 50.29,936 130.824,937 203.314,938 21.135,940 39.008,941 85.286,942 59.699,943 18.256,945 153.024,947 153.024,948 151.959,949 50.29,952 153.024,953 50.29,956 23.241,957 119.242,958 9.476,960 153.024,961 71.425,962 130.824,965 153.024,966 29.771,967 88.411,968 18.011,969 66.057,970 153.024,971 71.425,972 130.824,973 0.579,974 0.367,975 0.232,976 0.136,977 21,978 9,979 0.05,980 2,981 2,982 1.222,983 3.371,984 204.736,985 0.222,986 18,987 104.042,993 13.83,994 5.13,995 1.932,997 71.425,998 14.972,1003 3.127,1005 18.011,1006 355.273,1007 36,1008 3.716,1013 25.413,1015 1.685,1017 0.521,1020 37.16,1021 40.907,1022 0.284,1023 0.616,1024 0.761,1025 0.886,1026 0.938,1027 0.969,1028 4.868,1029 1.354,1030 5.771,1031 2.965,1032 4.344,1033 4.89,1034 1.897,1035 6.696,1036 4.32,1037 6.088,1038 1.256,1039 7.393,1040 2.935,1041 4.007,1042 4.691,1043 0.325,1044 7.813,1045 3.973,1046 7.417,1047 0.872,1048 9.124,1049 2.718,1050 6.023,1051 7.088,1052 2.02,1053 11.028,1054 5.969,1055 8.789,1056 0.509,1057 10.92,1058 2.06,1059 6.581,1060 7.752,1061 0.74,1062 13.019,1063 6.512,1064 10.2,1065 -0.003,1066 12.756,1067 1.114,1068 8.068,1069 9.614,1070 2.218,1071 15.758,1072 7.984,1073 11.642,1074 -0.411,1075 14.621,1076 -0.007,1077 9.019,1078 10.688,1079 1.168,1080 18.084,1081 8.922,1082 13.107,1083 -0.652,1084 16.507,1085 -0.904,1086 10.319,1087 12.326,1088 2.455,1089 20.677,1090 10.209,1091 3.443,1092 -0.843,1093 18.408,1094 -1.409,1095 11.432,1096 13.598,1097 1.605,1098 23.131,1099 11.311,1100 3.061,1101 12.809,1102 20.32,1103 -2.029,1104 12.671,1105 15.137,1106 2.72,1107 25.681,1108 12.538,1109 2.287,1110 10.745,1111 22.242,1112 4.385,1113 13.848,1114 16.505,1115 2.049,1116 28.185,1117 13.703,1118 2.182,1119 7.802,1120 24.172,1121 3.906,1122 15.069,1123 18.001,1124 3.009,1125 30.723,1126 14.914,1127 1.926,1128 6.924,1129 26.109,1130 3.176,1131 16.272,1132 19.417,1133 2.494,1134 33.248,1135 16.106,1136 1.587,1137 5.767,1138 28.05,1139 2.784,1140 17.491,1141 20.894,1142 3.319,1143 35.787,1144 17.315,1145 1.354,1146 4.767,1147 29.996,1148 2.421,1149 18.704,1150 22.335,1151 2.938,1152 38.321,1153 18.519,1154 4695,1155 7830,1156 17.512,1157 26.489,1158 40.515,1159 41.901,1160 42.125,1161 39.673,1162 39.661,1163 52.615,1164 5.62,1165 121.211,1166 39.268,1167 5.633,1168 5.87,1169 6.991,1170 5.467,1171 5.443,1172 7.385,1173 2.335,1174 20.661,1175 5.406,1176 9.898,1177 1.558,1178 1.612,1179 1.62,1180 1.526,1181 1.525,1182 2.024,1183 0.216,1184 4.662,1185 1.51,1186 4.094,1187 4.114,1188 4.066,1189 4.02,1190 7.434,1191 4.028,1192 3.899,1193 3.929,1194 3.848,1195 3.824,1196 7.423,1197 3.824,1198 3.574,1199 3.631,1200 3.462,1201 3.451,1202 4.817,1203 3.444,1204 3.466,1205 3.491,1206 3.388,1207 3.357,1208 4.728,1209 3.36,1210 3.245,1211 3.281,1212 3.173,1213 3.019,1214 4.669,1215 3.053,1216 2.939,1217 3.007,1218 2.822,1219 2.795,1220 4.065,1221 2.793,1222 2.83,1223 2.891,1224 2.69,1225 2.719,1226 3.878,1227 2.703,1228 2.643,1229 2.741,1230 2.543,1231 2.437,1232 3.75,1233 2.444,1234 0.184,1235 0.149,1236 0.278,1237 0.17,1238 0.132,1239 4.772,1240 0.169,1241 3.87,1242 0.047,1243 7.232,1244 0.493,1245 4.432,1246 0.131,1247 3.443,1248 4.385,1249 1.23,1250 12.809,1251 3.406,1252 1.928,1253 1.91,1254 2.015,1255 1.987,1256 1.162,1257 1.998,1258 1.853,1259 1.825,1260 1.966,1261 1.944,1262 1.071,1263 1.952,1264 1.635,1265 1.595,1266 1.825,1267 1.811,1268 0.908,1269 1.809,1270 1.477,1271 1.445,1272 1.567,1273 1.644,1274 0.657,1275 1.625,1276 1.115,1277 1.076,1278 1.297,1279 1.398,1280 0.259,1281 1.361,1282 0.976,1283 0.917,1284 1.198,1285 1.172,1286 0.228,1287 1.189,1288 0.812,1289 0.756,1290 1.098,1291 0.987,1292 0.152,1293 1.03,1294 0.783,1295 0.725,1296 1.063,1297 0.978,1298 0.105,1299 1.012,1300 3.97,1302 5.323,1303 3.045,1304 6.891,1305 5.587,1306 8.559,1307 7.825,1308 10.281,1315 0.413,1317 2.835,1321 1.652,1326 25.633,1327 54.736,1328 118.696,1329 146.75,1330 170.75,1331 180.75,1332 186.75,1333 38.719,1334 7.458,1335 54.86,1336 54.86,1337 22,1338 12.837,1339 4.087,1340 3.459,1341 31.47,1342 62,1343 71,1344 0.255,1345 155.758,1346 279.2,1347 371.811,1348 15654,1350 15.974,1351 0.695,1352 0.538,1353 15.974,1354 12.374,1355 11.22,1356 0.432,1357 0.284,1358 7.323,1359 10.935,1360 7.173,1361 5.933,1362 11.22,1363 7.393,1364 10,1365 0.263,1366 0.144,1367 10,1368 5.471,1369 9.062,1370 0.159,1371 0.073,1372 9.062,1373 4.157,1374 8.466,1375 0.1,1376 0.038,1377 8.466,1378 3.197,1379 7.263,1380 0.065,1381 0.02,1382 7.263,1383 2.226,1384 0.374,1385 69.418,1386 0.239,1387 21.62,1388 0.787,1389 128,1390 359.449,1391 137.23,1392 353.257,1393 490.81,1394 330,1395 159,1396 369.047,1397 168.814,1398 375.815,1399 562.84,1400 356,1401 5.05}
{0 CHEMBL1502254,1 1.613,2 10.926,3 4.016,4 16.125,5 101.761,6 7.944,7 0.586,8 3.93,9 4.033,10 3.547,11 3.463,12 5.153,13 3.459,14 4.428,15 4.581,16 3.906,17 3.809,18 5.709,19 3.803,20 4.61,21 4.77,22 3.992,23 3.924,24 5.897,25 3.911,26 4.711,27 4.879,28 3.976,29 3.985,30 5.957,31 3.938,32 4.774,33 4.966,34 3.875,35 3.961,36 5.985,37 3.9,38 4.825,39 5.054,40 3.684,41 3.837,42 6.032,43 3.753,44 4.49,45 4.698,46 3.621,47 3.623,48 5.869,49 3.57,50 4.369,51 4.587,52 3.558,53 3.517,54 5.543,55 3.484,56 0.142,57 0.654,58 8.162,59 4.076,60 6.615,61 4.994,62 0.306,63 1.016,64 15.912,65 6.624,66 49.363,67 8.358,68 0.591,69 1.201,70 19.657,71 7.064,72 50.773,73 8.87,74 0.501,75 1.256,76 22.105,77 9.085,78 49.416,79 11.545,80 0.485,81 1.292,82 25.034,83 9.352,84 55.42,85 11.767,86 0.842,87 1.201,88 31.009,89 10.057,90 124.174,91 12.69,92 0.522,93 0.93,94 20.25,95 7.223,96 97.32,97 9.442,98 0.338,99 0.877,100 17.672,101 6.061,102 37.506,103 8.009,104 38,105 41,106 0.274,107 0.587,108 0.696,109 0.808,110 0.84,111 0.84,112 3.34,113 0.87,114 -4.58,115 -4.51,116 -4.24,120 43.5,121 3,126 1,143 8,144 1,145 2,147 1,148 1,153 2,158 1,167 2,174 6,176 2,177 10,185 7,188 5,189 7,197 5,200 3,201 7,209 9,213 1,214 8,222 9,226 2,227 6,235 6,239 2,240 9,247 2,251 2,252 9,260 3,263 2,264 5,271 4,274 1084,275 17.759,276 17.759,277 17.759,278 17.759,279 17.759,280 15.171,281 19.499,282 10.357,283 18.066,284 14.257,285 14.257,286 14.257,287 14.257,288 14.257,289 10.405,290 19.623,291 4.867,292 14.755,293 3.911,294 2.061,295 1.419,296 0.761,297 0.571,298 0.571,299 4.014,305 1,306 1,307 1,308 622,309 3.464,312 79.841,313 194.405,320 1.643,321 33.352,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 59.5,333 295,334 4.626,335 3.815,336 6.912,337 4.226,338 3.263,339 4.366,340 2.612,341 11.505,342 3.15,343 4.418,344 3.684,345 6.427,346 3.939,347 2.997,348 4.142,349 1.571,350 9.85,351 2.817,352 3.969,353 3.254,354 6.089,355 3.615,356 2.619,357 3.455,358 0.699,359 8.621,360 2.594,361 3.675,362 2.891,363 5.093,364 3.155,365 2.186,366 3.144,368 5.895,369 2.118,370 3.547,371 2.438,372 4.964,373 3.119,374 2.132,375 2.892,377 5.794,378 2.103,379 3.368,380 2.375,381 4.928,382 2.882,383 1.941,384 2.644,386 5.333,387 1.815,388 3.027,389 2.08,390 4.802,391 2.67,392 1.683,393 2.183,395 4.707,396 1.655,397 2.896,398 1.619,399 4.162,400 2.448,401 1.454,402 2.026,404 3.465,405 1.441,406 2.61,407 1.591,408 3.616,409 2,410 1.004,411 1.597,413 2.602,414 1,415 2.5,416 1.251,417 3.557,418 1.97,419 1,420 1.5,422 2.423,423 0.968,424 2.417,425 1.151,426 3.247,427 1.968,428 1,429 1.362,431 2.136,432 0.962,433 1.875,434 1,435 3.144,436 1.484,437 0.538,438 0.679,440 1.27,441 0.499,442 1.147,443 1,444 2.661,445 0.872,446 -0.1,447 -0.115,449 -0.239,450 -0.096,451 1.086,452 0.476,453 2.439,454 0.771,455 -0.205,456 -0.253,458 -0.464,459 -0.198,460 1,461 0.277,462 2.349,463 0.219,464 -0.758,465 -0.944,467 -1.941,468 -0.718,469 12.533,470 0.464,471 0.792,472 0.029,473 38.25,474 1.417,475 21,476 0.778,477 17.25,478 0.639,479 20.136,480 0.746,481 28.867,482 0.628,483 29.784,484 1.103,485 7.815,486 0.289,487 5.065,488 0.188,489 0.199,491 0.383,496 0.499,497 1.247,498 0.691,499 1.075,500 0.519,501 0.957,502 0.701,503 1.178,504 0.674,505 0.984,506 0.461,507 0.854,508 0.888,509 0.944,510 0.984,511 0.909,512 0.713,513 0.937,514 0.718,515 1.192,516 0.959,517 1.236,518 0.712,519 1.169,520 1.077,521 1.047,522 1.144,523 1.179,524 1.051,525 1.171,526 1.435,527 0.75,528 1.124,529 0.817,530 1.578,531 0.908,532 0.89,533 1.038,534 0.868,535 1.006,536 0.786,537 0.956,538 0.954,539 0.979,540 0.817,541 0.934,542 0.824,543 0.86,544 5.5,545 0.132,546 3.556,547 2.792,548 1.864,549 0.969,550 0.563,551 0.359,552 0.348,553 0.257,554 8512,555 26110,556 1.992,557 41.3,559 10,563 9,567 1.701,568 1.82,569 3.408,570 -0.733,572 1,575 74.18,576 1.613,577 3.463,578 4.104,579 4.762,580 4.953,581 4.953,582 2.876,583 4.31,584 4.729,585 3.573,586 1254.16,587 8.206,588 16191.4,590 1,592 1,593 254.084,594 1.541,595 4.659,596 0.19,597 0.007,598 0.087,599 0.065,600 0.045,601 0.027,602 0.019,603 0.013,604 0.013,605 0.011,606 0.476,607 0.17,608 1,609 0.834,610 134.105,611 0.151,612 -0.091,613 0.063,614 -0.041,615 -0.024,616 -0.025,617 0.109,618 -0.112,619 0.196,620 0.022,621 0.165,622 0.104,623 0.085,624 0.178,625 -0.086,626 0.036,627 0.042,628 -0.039,629 0.158,630 -0.191,631 -0.051,632 -0.226,633 0.085,634 -0.192,635 -0.109,636 -0.063,637 -0.187,638 -0.197,639 -0.078,640 -0.199,641 -0.164,642 0.095,643 -0.03,644 0.165,645 -0.197,646 0.1,647 0.15,648 -0.128,649 0.148,650 -0.011,651 0.272,652 0.052,653 -0.004,654 0.001,655 0.186,656 0.027,657 0.022,658 0.124,659 2.617,660 5.655,661 0.63,662 23.931,663 1.015,664 1.123,665 3.354,666 11.252,667 0.672,668 3.401,669 3.738,670 4.007,671 4.263,672 4.407,673 4.357,674 4.407,675 4.407,676 4.443,677 4.511,678 6.49,679 0.655,680 365.42,681 3.401,682 4.949,683 5.802,684 6.688,685 7.562,686 8.451,687 9.332,688 10.224,689 11.109,690 12.001,691 6.5,699 1,701 1,702 1,709 8,710 1,714 7,715 1,716 17,721 1,731 1,735 1,738 46,739 20,740 1,741 29,743 48,744 20,745 15,746 1,747 5,748 1,752 3,753 3,759 3,768 16,769 4,772 3,775 1,778 3,782 1,786 1,789 19,790 5,792 7,797 3,803 1,804 4,816 1,818 1,822 1,823 2,855 3,859 3,862 27,869 1,872 1,886 8.7,889 1,891 1,892 2,893 14.833,894 9.433,895 5.944,896 2.651,898 3.165,899 1.446,900 0.959,901 5.381,902 10.264,903 3.726,904 4.36,905 4.923,906 5.493,907 5.934,908 6.062,909 6.363,910 6.543,911 6.785,912 7.048,913 1,914 43,915 9.985,917 4.242,918 8.031,919 18.451,921 14.625,924 2.531,925 68.333,928 1,929 223.651,930 133.795,931 24.355,933 86.892,936 133.795,937 310.543,938 24.355,939 32.146,940 4.592,941 75.81,942 47.064,943 26.841,944 7.841,945 223.651,946 50.747,947 223.651,948 158.15,949 86.892,952 223.651,953 36.145,954 50.747,956 35.724,957 99.971,958 22.456,960 223.651,961 111.246,962 133.795,965 223.651,966 31.51,967 109.855,969 103.677,970 223.651,971 111.246,972 133.795,973 0.588,974 0.349,975 0.191,976 0.103,977 19,978 10,979 0.125,980 6,982 1,983 3.774,984 226.16,986 17,987 122.382,993 18.806,994 7.726,995 3.91,997 103.677,998 14.591,999 3.859,1003 3.305,1004 1.989,1006 468.693,1007 40.5,1010 -0.617,1013 34.9,1017 -0.25,1020 46.683,1021 51.654,1022 0.292,1023 0.627,1024 0.743,1025 0.862,1026 0.897,1027 0.897,1028 4.958,1029 1.454,1030 5.808,1031 4.707,1032 4.419,1033 5.047,1034 2.897,1035 6.648,1036 4.351,1037 6.195,1038 1.004,1039 7.393,1040 3.465,1041 4.111,1042 4.977,1043 2.361,1044 7.639,1045 4.012,1046 7.522,1047 1,1048 9.082,1049 2.602,1050 6.038,1051 7.286,1052 4.336,1053 10.76,1054 5.892,1055 8.887,1056 1,1057 10.83,1058 2.423,1059 6.538,1060 8.019,1061 4.506,1062 12.596,1063 6.351,1064 10.283,1065 0.538,1066 12.618,1067 2.136,1068 7.973,1069 9.825,1070 6.024,1071 15.249,1072 7.746,1073 11.701,1074 -0.1,1075 14.434,1076 1.27,1077 8.838,1078 10.928,1079 6.556,1080 17.426,1081 8.565,1082 13.138,1083 -0.205,1084 16.269,1085 -0.239,1086 10.09,1087 12.533,1088 7.824,1089 19.922,1090 9.779,1091 3.263,1092 -0.758,1093 18.12,1094 -0.464,1095 11.119,1096 13.815,1097 8.548,1098 22.24,1099 10.763,1100 2.997,1101 11.505,1102 19.984,1103 -1.941,1104 12.305,1105 15.335,1106 9.681,1107 24.684,1108 11.912,1109 2.619,1110 9.85,1111 21.857,1112 4.366,1113 13.407,1114 16.705,1115 10.509,1116 27.062,1117 12.971,1118 2.186,1119 8.621,1120 23.737,1121 4.142,1122 14.572,1123 18.187,1124 11.567,1125 29.492,1126 14.099,1127 2.132,1128 5.895,1129 25.624,1130 3.455,1131 15.707,1132 19.601,1133 12.452,1134 31.898,1135 15.194,1136 1.941,1137 5.794,1138 27.516,1139 3.144,1140 16.867,1141 21.068,1142 13.469,1143 34.325,1144 16.318,1145 1.683,1146 5.333,1147 29.413,1148 2.892,1149 18.018,1150 22.504,1151 14.386,1152 36.745,1153 17.431,1154 8373,1155 14870,1156 18.611,1157 30.926,1158 44.338,1159 46.015,1160 46.017,1161 43.614,1162 43.634,1163 59.982,1164 9.765,1165 127.203,1166 42.246,1167 5.508,1168 5.815,1169 6.714,1170 5.295,1171 5.263,1172 7.366,1173 4.612,1174 18.866,1175 5.15,1176 16.177,1177 1.529,1178 1.587,1179 1.587,1180 1.504,1181 1.505,1182 2.068,1183 0.337,1184 4.386,1185 1.457,1186 4.083,1187 4.118,1188 4.045,1189 3.972,1190 7.815,1191 3.984,1192 3.966,1193 3.997,1194 3.943,1195 3.792,1196 7.427,1197 3.816,1198 3.782,1199 3.812,1200 3.71,1201 3.713,1202 6.999,1203 3.708,1204 3.516,1205 3.545,1206 3.476,1207 3.226,1208 4.895,1209 3.248,1210 3.436,1211 3.467,1212 3.344,1213 3.11,1214 4.84,1215 3.182,1216 3.192,1217 3.285,1218 2.98,1219 3.008,1220 4.574,1221 2.988,1222 3.097,1223 3.167,1224 2.924,1225 2.867,1226 4.377,1227 2.888,1228 2.858,1229 2.961,1230 2.696,1231 2.735,1232 3.863,1233 2.715,1234 0.16,1235 0.132,1236 0.238,1237 0.146,1238 0.113,1239 4.626,1240 0.151,1241 3.815,1242 0.09,1243 6.912,1244 0.397,1245 4.226,1246 0.109,1247 3.263,1248 4.366,1249 2.612,1250 11.505,1251 3.15,1252 1.916,1253 1.884,1254 2.03,1255 2.08,1256 1.124,1257 2.03,1258 1.863,1259 1.835,1260 1.957,1261 2.026,1262 1.021,1263 2.023,1264 1.674,1265 1.654,1266 1.815,1267 1.811,1268 0.955,1269 1.805,1270 1.543,1271 1.485,1272 1.758,1273 1.715,1274 0.856,1275 1.733,1276 1.312,1277 1.264,1278 1.579,1279 1.699,1280 0.69,1281 1.62,1282 1.224,1283 1.175,1284 1.485,1285 1.519,1286 0.567,1287 1.528,1288 1.053,1289 0.987,1290 1.228,1291 1.326,1292 0.317,1293 1.351,1294 0.886,1295 0.821,1296 1.207,1297 1.104,1298 0.251,1299 1.143,1300 4.078,1302 5.407,1303 2.398,1304 6.927,1305 4.844,1306 8.533,1307 7.018,1308 10.186,1310 5.44,1315 -0.301,1318 5.417,1326 30.138,1327 74.18,1328 159.275,1329 188.8,1330 219.064,1331 227.819,1332 227.819,1333 58.235,1334 7.099,1335 89.94,1336 89.94,1337 17,1338 12.53,1339 4.392,1340 3.644,1341 47.044,1342 106,1343 94,1344 0.218,1345 187.531,1346 326.54,1347 449.336,1348 11075,1350 19.552,1351 0.724,1352 0.567,1353 19.552,1354 15.301,1355 12.88,1356 0.444,1357 0.29,1358 8.277,1359 12.28,1360 7.969,1361 6.673,1362 12.88,1363 8.406,1364 11.852,1365 0.289,1366 0.151,1367 11.852,1368 6.199,1369 9.668,1370 0.179,1371 0.079,1372 9.668,1373 4.256,1374 8.122,1375 0.116,1376 0.043,1377 8.122,1378 3.014,1379 6.302,1380 0.078,1381 0.023,1382 6.302,1383 1.86,1384 0.343,1385 81.572,1386 0.232,1387 25.915,1388 0.596,1389 140,1390 483.877,1391 157.013,1392 460.549,1393 616.95,1394 426,1395 165,1396 456.498,1397 182.793,1398 454.649,1399 658.93,1400 425,1401 6.206}
{0 CHEMBL1502358,1 1.497,2 11.636,3 3.503,4 12.271,5 84.075,6 8.48,7 0.522,8 3.6,9 3.691,10 3.271,11 3.257,12 4.928,13 3.243,14 3.988,15 4.105,16 3.509,17 3.524,18 5.341,19 3.49,20 4.195,21 4.378,22 3.491,23 3.52,24 5.666,25 3.469,26 4.017,27 4.227,28 3.24,29 3.286,30 5.366,31 3.228,32 3.769,33 3.948,34 3.166,35 3.119,36 5.168,37 3.097,38 3.71,39 3.841,40 3.212,41 3.103,42 5.179,43 3.114,44 3.81,45 3.928,46 3.286,47 3.111,48 5.406,49 3.149,50 3.807,51 3.932,52 3.158,53 3.028,54 5.412,55 3.062,56 0.018,57 0.408,58 4.572,59 2.659,60 5.175,61 3.056,62 0.077,63 0.608,64 7.546,65 4.072,66 12.479,67 4.797,68 0.275,69 0.777,70 12.491,71 5.215,72 54.96,73 6.352,74 0.169,75 0.661,76 11.241,77 4.501,78 32.507,79 5.655,80 0.167,81 0.519,82 8.123,83 3.266,84 26.627,85 3.868,86 0.081,87 0.453,88 6.777,89 3.008,90 16.574,91 3.182,92 0.14,93 0.478,94 7.941,95 3.331,96 27.963,97 3.087,98 0.229,99 0.486,100 8.477,101 3.127,102 46.297,103 2.396,104 5,105 28,106 0.269,107 0.47,108 0.616,109 0.76,110 0.821,111 0.831,112 3.144,113 0.852,114 -3.72,115 -3.68,116 -3.5,120 52.9,136 2,143 10,144 1,145 1,157 1,159 3,174 11,176 1,177 5,185 12,188 2,189 5,197 7,200 1,201 4,209 3,213 2,214 4,222 3,227 6,235 2,240 11,247 2,252 9,260 2,264 5,271 3,274 728,275 15.018,276 15.018,277 15.018,278 15.018,279 15.018,280 12.54,281 11.964,282 9.478,283 15.094,284 11.367,285 11.367,286 11.367,287 11.367,288 11.367,289 7.824,290 12.396,291 4.539,292 11.438,293 3.591,294 2.478,295 1.669,296 0.868,297 0.529,298 0.471,299 3.812,305 1,306 1,307 1,308 534,309 3.606,313 176.566,320 2.033,321 20.621,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47,333 256,334 4.134,335 3.806,336 5.873,337 3.75,338 2.718,339 3.635,340 1.343,341 7.935,342 2.796,343 3.966,344 2.947,345 5.34,346 3.515,347 2.522,348 3.555,349 1.181,350 6.967,351 2.514,352 3.921,353 2.743,354 5.338,355 3.485,356 2.504,357 3.407,358 0.742,359 6.957,360 2.445,361 3.393,362 2.663,363 4.11,364 2.68,365 1.695,366 2.725,368 3.846,369 1.663,370 3.177,371 2.101,372 3.676,373 2.538,374 1.55,375 2.396,377 3.226,378 1.531,379 2.892,380 2.076,381 3.618,382 2.417,383 1.414,384 2.014,386 3.08,387 1.412,388 2.757,389 1.471,390 3.289,391 2.019,392 1.039,393 1.769,395 2.236,396 1.013,397 2.5,398 1.412,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 2.481,416 1,417 3,418 1.737,419 0.704,420 1.166,422 1.547,423 0.717,424 1.541,425 0.7,426 2.504,427 0.875,428 -0.108,429 -0.154,431 -0.248,432 -0.106,433 1.513,434 0.588,435 2.092,436 0.811,437 -0.215,438 -0.331,440 -0.468,441 -0.218,442 0.72,443 -0.155,444 1.644,445 0.192,446 -0.816,447 -1.18,449 -1.739,450 -0.808,451 0.717,452 -0.499,453 1.555,454 0.183,455 -0.822,456 -1.269,458 -1.744,459 -0.83,460 0.5,461 -0.653,462 1.555,464 -1,465 -1.5,467 -2.347,468 -1,469 10.467,470 0.476,471 0.332,472 0.015,473 33.5,474 1.523,475 20.5,476 0.932,477 13,478 0.591,479 10.87,480 0.494,481 21.333,482 0.627,483 22.756,484 1.034,485 7.101,486 0.323,487 3.653,488 0.166,489 0.064,491 0.191,496 0.554,497 1.07,498 0.662,499 0.921,500 0.538,501 0.832,502 0.583,503 1.219,504 0.884,505 1.165,506 0.636,507 1.1,508 0.765,509 1.034,510 0.965,511 1.001,512 0.655,513 1.007,514 0.841,515 1.062,516 0.922,517 0.982,518 0.747,519 0.963,520 0.97,521 0.819,522 0.845,523 0.817,524 1.032,525 0.804,526 1.435,527 1.095,528 0.863,529 1.021,530 1.454,531 0.873,532 2.141,533 1.093,534 1.002,535 1.021,536 2.239,537 0.864,538 2.831,539 0.962,540 1.399,541 0.876,542 2.933,543 0.891,544 3,545 0.041,546 1.778,547 0.75,548 0.382,549 0.347,550 0.407,551 0.226,552 0.123,553 0.043,554 5859,555 17771,556 2.022,557 35.3,559 12,567 1.636,568 1.941,569 3.519,570 -0.807,572 1,574 1,575 50.896,576 1.497,577 2.61,578 3.419,579 4.22,580 4.558,581 4.617,582 2.914,583 3.096,584 4.432,585 3.689,586 852.246,587 7.568,588 10330.5,589 1,590 1,591 1,592 1,593 172.974,594 1.096,595 4.414,596 0.13,597 0.004,598 0.063,599 0.029,600 0.019,601 0.018,602 0.02,603 0.011,604 0.007,605 0.003,606 0.305,607 0.67,608 1,609 0.517,610 105.646,611 -0.008,612 -0.115,613 0.024,614 -0.043,615 -0.043,616 -0.014,617 0.105,618 -0.264,619 -0.109,620 -0.264,621 0.017,622 -0.238,623 0.218,624 -0.026,625 0.02,626 -0.043,627 0.284,628 -0.042,629 0.08,630 -0.043,631 0.122,632 -0.001,633 0.113,634 0.053,635 0.119,636 0.235,637 0.139,638 0.123,639 -0.012,640 0.131,641 -0.118,642 -0.115,643 0.056,644 -0.097,645 -0.092,646 -0.005,647 -0.27,648 -0.144,649 -0.015,650 -0.083,651 -0.198,652 -0.019,653 -0.583,654 0.048,655 -0.359,656 0.051,657 -0.521,658 -0.08,659 2.581,660 4.5,661 0.545,662 21.554,663 1.008,664 1.103,665 2.486,666 6.179,667 0.727,668 3.178,669 3.367,670 3.497,671 3.555,672 3.638,673 3.434,674 3.466,675 3.434,676 3.401,677 3.367,678 6.941,679 0.709,680 288.32,681 3.178,682 4.635,683 5.407,684 6.196,685 6.978,686 7.769,687 8.554,688 9.345,689 10.13,690 10.922,691 5.9,700 2,709 10,714 2,716 12,738 34,739 18,740 2,741 23,743 35,744 18,745 12,746 2,747 10,748 4,752 2,753 2,767 2,768 16,772 6,774 2,778 2,780 2,781 2,782 2,785 1,786 1,789 12,790 4,792 4,797 2,803 1,804 2,823 2,836 1,845 2,855 2,862 22,886 5.9,889 2,893 11.333,894 6.233,895 5.111,896 1.901,898 4.208,899 1.684,900 0.958,901 5.553,902 10.359,903 3.584,904 4.094,905 4.6,906 5.083,907 5.527,908 5.613,909 6.013,910 6.316,911 6.567,912 6.863,913 0.875,914 26,915 8.051,917 3.252,918 8.03,919 14.759,921 10.991,924 2.53,925 55.667,929 141.253,930 161.474,931 33.571,933 50.29,936 161.474,937 191.543,938 33.571,941 113.715,942 92.106,943 39.513,945 141.253,947 141.253,948 195.045,949 50.29,952 141.253,953 50.29,956 33.571,957 142.521,958 18.952,960 141.253,961 83.861,962 161.474,965 141.253,966 15.78,967 113.715,968 31.978,969 83.861,970 141.253,971 83.861,972 161.474,973 0.552,974 0.305,975 0.145,976 0.072,977 10,978 4,979 0.143,980 5,982 1,983 3.681,984 145.144,986 12,987 90.107,993 15.097,994 8.092,995 5.317,997 83.861,998 18.236,1003 1.485,1006 386.588,1007 35,1009 4.864,1013 22.964,1015 2.482,1016 7.346,1017 -1.711,1020 34.276,1021 37.491,1022 0.294,1023 0.513,1024 0.672,1025 0.829,1026 0.896,1027 0.908,1028 4.727,1029 1,1030 5.303,1031 2.236,1032 4.043,1033 4.779,1034 2.14,1035 5.922,1036 4.036,1037 5.899,1038 1,1039 6.744,1040 2.136,1041 3.219,1042 3.951,1044 6.418,1045 3.261,1046 7.144,1047 0.704,1048 8.284,1049 2.136,1050 5.451,1051 6.873,1052 2.486,1053 9.436,1054 5.445,1055 8.424,1056 -0.108,1057 9.886,1058 1.547,1059 5.485,1060 6.835,1062 10.805,1063 5.547,1064 9.731,1065 -0.215,1066 11.529,1067 -0.248,1068 7.107,1069 9.164,1070 2.918,1071 13.246,1072 7.121,1073 11.059,1074 -0.816,1075 13.2,1076 -0.468,1077 7.567,1078 9.559,1080 14.967,1081 7.649,1082 12.401,1083 -0.822,1084 14.889,1085 -1.739,1086 8.889,1087 11.548,1088 3.4,1089 17.184,1090 8.936,1091 2.718,1092 -1,1093 16.593,1094 -1.744,1095 9.574,1096 12.215,1098 19.064,1099 9.684,1100 2.522,1101 7.935,1102 18.306,1103 -2.347,1104 10.737,1105 13.983,1106 3.91,1107 21.185,1108 10.829,1109 2.504,1110 6.967,1111 20.026,1112 3.635,1113 11.548,1114 14.833,1116 23.144,1117 11.694,1118 1.695,1119 6.957,1120 21.751,1121 3.555,1122 12.625,1123 16.451,1124 4.44,1125 25.224,1126 12.767,1127 1.55,1128 3.846,1129 23.481,1130 3.407,1131 13.506,1132 17.428,1134 27.223,1135 13.696,1136 1.414,1137 3.226,1138 25.215,1139 2.725,1140 14.536,1141 18.941,1142 4.984,1143 29.286,1144 14.735,1145 1.039,1146 3.08,1147 26.951,1148 2.396,1149 15.458,1150 20.009,1152 31.31,1153 15.7,1154 5769,1155 10198,1156 15.485,1157 24.727,1158 33.044,1159 34.892,1160 32.92,1161 32.284,1162 32.291,1163 47.332,1164 6.533,1165 80.132,1166 32.182,1167 4.823,1168 5.806,1169 5.675,1170 4.764,1171 4.718,1172 6.635,1173 2.687,1174 13.684,1175 4.796,1176 8.033,1177 1.437,1178 1.517,1179 1.431,1180 1.404,1181 1.404,1182 2.058,1183 0.284,1184 3.484,1185 1.399,1186 3.936,1187 3.966,1188 3.88,1189 3.87,1190 7.5,1191 3.866,1192 3.893,1193 3.925,1194 3.829,1195 3.827,1196 7.354,1197 3.824,1198 3.692,1199 3.702,1200 3.661,1201 3.528,1202 4.953,1203 3.559,1204 3.384,1205 3.428,1206 3.333,1207 3.255,1208 4.882,1209 3.267,1210 3.103,1211 3.128,1212 3.05,1213 2.92,1214 4.618,1215 2.951,1216 2.854,1217 2.925,1218 2.697,1219 2.735,1220 4.563,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.791,1229 2.839,1230 2.687,1231 2.647,1232 3.674,1233 2.648,1234 0.18,1235 0.165,1236 0.255,1237 0.163,1238 0.118,1239 4.134,1240 0.158,1241 3.806,1242 0.058,1243 5.873,1244 0.345,1245 3.75,1246 0.122,1247 2.718,1248 3.635,1249 1.343,1250 7.935,1251 2.796,1252 1.914,1253 1.887,1254 2.03,1255 1.994,1256 1.084,1257 2.006,1258 1.89,1259 1.86,1260 2.008,1261 1.981,1262 1.047,1263 1.992,1264 1.595,1265 1.583,1266 1.662,1267 1.781,1268 0.512,1269 1.741,1270 1.341,1271 1.302,1272 1.467,1273 1.496,1274 0.398,1275 1.487,1276 1.014,1277 0.988,1278 1.181,1279 1.226,1280 0.218,1281 1.2,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.141,1291 1.062,1292 0.154,1293 1.107,1294 0.768,1295 0.719,1296 0.998,1297 0.96,1299 0.975,1300 3.85,1302 5.069,1304 6.472,1306 7.948,1308 9.455,1326 24.106,1327 50.896,1328 88.735,1329 116.245,1330 143.464,1331 154.974,1332 156.974,1333 38.637,1334 6.151,1335 58.86,1336 58.86,1337 12,1338 11.527,1339 4.248,1340 3.7,1341 42.641,1342 91,1343 76,1344 0.218,1345 155.098,1346 281.34,1347 370.199,1348 3698,1350 15.623,1351 0.71,1352 0.529,1353 15.623,1354 11.639,1355 10.754,1356 0.468,1357 0.284,1358 6.471,1359 10.479,1360 6.324,1361 5.326,1362 10.754,1363 6.529,1364 8.824,1365 0.315,1366 0.15,1367 8.824,1368 4.186,1369 6.965,1370 0.218,1371 0.08,1372 6.965,1373 2.553,1374 4.978,1375 0.146,1376 0.044,1377 4.978,1378 1.5,1379 3.64,1380 0.098,1381 0.024,1382 3.64,1383 0.892,1384 0.36,1385 66.587,1386 0.254,1387 22.753,1388 0.554,1389 102,1390 356.761,1391 109.76,1392 351.948,1393 465.04,1394 326,1395 111,1396 324.907,1397 118.483,1398 333.111,1399 469.79,1400 312,1401 5.251}
{0 CHEMBL1502550,1 1.428,2 9.364,3 4.56,4 20.792,5 86.662,6 7.384,7 0.5,8 3.762,9 3.873,10 3.324,11 3.397,12 4.869,13 3.354,14 4.297,15 4.463,16 3.672,17 3.776,18 5.38,19 3.712,20 4.575,21 4.787,22 3.75,23 3.881,24 5.696,25 3.803,26 4.552,27 4.771,28 3.58,29 3.777,30 5.719,31 3.679,32 4.428,33 4.657,34 3.405,35 3.644,36 5.511,37 3.537,38 4.319,39 4.535,40 3.384,41 3.538,42 5.593,43 3.441,44 4.274,45 4.508,46 3.267,47 3.457,48 5.389,49 3.358,50 4.145,51 4.38,52 3.186,53 3.358,54 5.301,55 3.258,56 0.006,57 0.578,58 7.72,59 3.98,60 5.038,61 5.04,62 0.033,63 0.965,64 14.573,65 6.781,66 13.615,67 8.826,68 0.152,69 1.266,70 21.194,71 8.517,72 36.181,73 11.099,74 0.264,75 1.22,76 21.43,77 8.269,78 52.392,79 10.531,80 0.193,81 1.005,82 19.125,83 7.518,84 41.989,85 9.691,86 0.271,87 0.87,88 17.015,89 6.767,90 64.428,91 8.802,92 0.175,93 0.836,94 16.673,95 6.456,96 42.552,97 8.332,98 0.211,99 0.853,100 14.557,101 5.604,102 39.22,103 7.254,104 10,105 33,106 0.253,107 0.592,108 0.773,109 0.86,110 0.886,111 0.886,112 3.146,113 0.952,114 -5.06,115 -4.96,116 -4.65,120 47.5,121 1,122 4,136 2,143 5,144 3,145 1,147 2,158 1,174 12,177 6,185 14,189 5,197 13,200 1,201 5,209 12,214 3,222 9,227 5,235 9,240 3,247 9,252 2,260 9,264 1,271 7,274 620,275 14.845,276 14.845,277 14.845,278 14.845,279 14.845,280 13.067,281 11.052,282 8.806,283 14.926,284 11.827,285 11.827,286 11.827,287 11.827,288 11.827,289 9.064,290 6.883,291 4.167,292 11.974,293 3.894,294 1.983,295 0.959,296 0.469,297 0.319,298 0.319,299 3.828,306 1,307 1,308 444,309 2.828,313 186.45,317 96.846,320 1.455,321 25.074,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47,333 206,334 4.454,335 3.541,336 6.489,337 4.08,338 3.087,339 4.136,341 10.105,342 3.068,343 4.189,344 3.107,345 6.036,346 3.771,347 2.798,348 3.817,350 8.601,351 2.721,352 3.931,353 3.079,354 6.003,355 3.617,356 2.613,357 3.32,359 8.467,360 2.611,361 3.364,362 2.466,363 4.922,364 2.957,365 1.965,366 2.604,368 5.431,369 1.942,370 3.044,371 1.949,372 4.477,373 2.629,374 1.644,375 2.22,377 4.452,378 1.616,379 2.873,380 1.855,381 4.188,382 2.475,383 1.473,384 2.022,386 3.787,387 1.474,388 2.831,389 1.5,390 3.618,391 2.388,392 1.414,393 1.923,395 2.998,396 1.384,397 2.478,398 1.422,399 3.618,400 2.375,401 1.389,402 1.476,404 2.978,405 1.344,406 2.312,407 1.147,408 3.556,409 1.859,410 0.867,411 1.084,413 2.19,414 0.859,415 1.971,416 0.85,417 3.012,418 1.504,419 0.483,420 0.709,422 1.1,423 0.489,424 1.147,425 0.357,426 2.644,427 0.842,428 -0.127,429 -0.147,431 -0.294,432 -0.121,433 1.073,434 0.111,435 2.442,436 0.708,437 -0.253,438 -0.332,440 -0.552,441 -0.237,442 0.832,443 -0.223,444 2,445 0.48,446 -0.511,447 -0.627,449 -1.373,450 -0.504,451 0.656,452 -0.504,453 2,454 0.214,455 -0.775,456 -1.044,458 -1.827,459 -0.762,460 0.241,461 -0.732,462 2,463 -0.017,464 -1,465 -1.116,467 -2.436,468 -0.982,469 10.519,470 0.478,471 0.524,472 0.024,473 28,474 1.273,475 15,476 0.682,477 13,478 0.591,479 16.964,480 0.771,481 23.081,482 0.577,483 18.908,484 0.859,485 5.415,486 0.246,487 5.233,488 0.238,489 0.106,491 0.333,494 1,496 0.494,497 0.947,498 0.751,499 0.986,500 0.499,501 0.931,502 0.562,503 1.035,504 0.795,505 1.052,506 0.523,507 0.985,508 0.927,509 1.029,510 0.923,511 0.983,512 0.822,513 0.952,514 1.197,515 1.043,516 1.15,517 1.061,518 1.169,519 1.084,520 1.114,521 0.879,522 1.064,523 0.992,524 1.179,525 1.012,526 0.845,527 0.878,528 0.94,529 1.024,530 0.957,531 1.009,532 1.141,533 0.878,534 0.938,535 0.895,536 1.277,537 0.895,538 1.097,539 1.034,540 1.005,541 0.954,542 1.129,543 0.968,544 4,545 0.037,546 2.889,547 1.375,548 1.329,549 0.688,550 0.347,551 0.255,552 0.172,553 0.117,554 5096,555 12850,556 2.07,557 45,558 6,559 7,563 5,567 1.643,568 1.941,569 3.211,570 -0.851,575 57.108,576 1.428,577 3.339,578 4.363,579 4.853,580 5.003,581 5.003,582 2.681,583 4.005,584 4.435,585 3.351,586 774.116,587 7.606,588 8549.27,590 1,593 212.877,594 1.395,595 4.392,596 0.167,597 0.004,598 0.088,599 0.04,600 0.049,601 0.03,602 0.016,603 0.013,604 0.01,605 0.008,606 0.424,607 0.83,608 1,609 0.595,610 101.407,611 0.001,612 -0.009,613 0.036,614 0.021,615 -0.014,616 0.031,617 0.031,618 -0.122,619 0.061,620 -0.064,621 0.05,622 -0.012,623 -0.039,624 -0.059,625 0.023,626 -0.025,627 0.021,628 0.005,629 -0.069,630 -0.025,631 -0.164,632 -0.108,633 -0.054,634 -0.141,635 -0.101,636 0.014,637 -0.084,638 -0.029,639 -0.106,640 -0.045,641 0.18,642 -0.046,643 0.037,644 -0.058,645 0.188,646 -0.041,647 -0.075,648 -0.055,649 0.062,650 0.069,651 -0.088,652 0.079,653 0.04,654 0.02,655 0.002,656 0.015,657 -0.017,658 -0.004,659 1.994,660 5.572,661 0.727,662 16.364,663 0.997,664 1.12,665 3.833,666 14.694,667 0.681,668 3.219,669 3.526,670 3.784,671 3.989,672 4.205,673 4.174,674 4.205,675 4.248,676 4.277,677 4.174,678 5.612,679 0.647,680 295.38,681 3.219,682 4.745,683 5.587,684 6.45,685 7.309,686 8.176,687 9.039,688 9.908,689 10.774,690 11.645,691 2.5,701 1,709 5,710 1,714 6,716 12,721 1,737 1,738 40,739 14,740 1,741 24,743 42,744 19,745 11,746 2,747 4,748 3,752 3,753 4,759 1,763 4,766 4,768 14,769 5,772 2,778 1,780 2,782 1,786 1,787 1,789 18,790 3,792 3,797 1,803 0.667,804 1,816 1,823 3,827 1,845 2,855 2,859 1,861 1,862 22,869 4,885 1,886 2.5,889 1,893 11.333,894 7.593,895 4.861,896 2.622,898 2.814,899 1.414,900 0.993,901 4.152,902 9.617,903 3.497,904 4.078,905 4.654,906 5.163,907 5.681,908 5.832,909 6.064,910 6.297,911 6.576,912 6.817,913 1,914 34,915 8.195,917 3.518,918 7.848,919 15.654,921 12.96,924 2.348,925 51.667,928 1,929 211.88,930 114.622,931 16.786,933 25.145,934 14.96,936 114.622,937 237.025,938 31.746,939 8.825,940 10.138,941 66.334,942 47.064,943 24.191,944 14.96,945 211.88,947 211.88,948 131.407,949 40.105,952 226.84,953 25.145,956 24.477,957 71.192,958 35.738,960 226.84,961 41.93,962 114.622,965 211.88,966 39.463,967 75.159,969 56.891,970 211.88,971 56.891,972 114.622,973 0.581,974 0.344,975 0.179,976 0.096,977 16,978 7,979 0.071,980 3,981 1,982 1.125,983 3.457,984 168.71,985 0.125,986 16,987 98.107,993 14.656,994 6.233,995 3.169,997 56.891,998 8.378,999 4.578,1003 3.765,1006 383.392,1007 32,1013 12.387,1015 2.953,1017 -0.123,1020 39.894,1021 44.784,1022 0.268,1023 0.627,1024 0.82,1025 0.912,1026 0.94,1027 0.94,1028 4.718,1029 1.389,1030 5.565,1031 2.998,1032 4.205,1033 4.762,1035 6.354,1036 4.181,1037 5.923,1038 0.867,1039 7.116,1040 2.978,1041 3.761,1042 4.543,1044 7.222,1045 3.718,1046 7.225,1047 0.483,1048 8.769,1049 2.19,1050 5.778,1051 6.942,1053 10.307,1054 5.733,1055 8.565,1056 -0.127,1057 10.483,1058 1.1,1059 6.155,1060 7.538,1062 11.989,1063 6.093,1064 9.936,1065 -0.253,1066 12.233,1067 -0.294,1068 7.639,1069 9.405,1071 14.574,1072 7.573,1073 11.33,1074 -0.511,1075 14.009,1076 -0.552,1077 8.398,1078 10.384,1080 16.585,1081 8.318,1082 12.742,1083 -0.775,1084 15.802,1085 -1.373,1086 9.658,1087 12.016,1089 18.986,1090 9.573,1091 3.087,1092 -1,1093 17.607,1094 -1.827,1095 10.598,1096 13.19,1098 21.143,1099 10.5,1100 2.798,1101 10.105,1102 19.421,1103 -2.436,1104 11.762,1105 14.708,1107 23.473,1108 11.659,1109 2.613,1110 8.601,1111 21.241,1112 4.136,1113 12.786,1114 15.984,1116 25.699,1117 12.674,1118 1.965,1119 8.467,1120 23.067,1121 3.817,1122 13.912,1123 17.445,1125 28.003,1126 13.793,1127 1.644,1128 5.431,1129 24.896,1130 3.32,1131 14.977,1132 18.777,1134 30.263,1135 14.851,1136 1.473,1137 4.452,1138 26.729,1139 2.604,1140 16.089,1141 20.21,1143 32.561,1144 15.956,1145 1.414,1146 3.787,1147 28.565,1148 2.22,1149 17.175,1150 21.574,1152 34.84,1153 17.036,1154 4925,1155 7946,1156 16.008,1157 27.25,1158 36.226,1159 37.09,1160 36.839,1161 35.561,1162 35.469,1163 46.621,1165 100.219,1166 35.014,1167 5.398,1168 5.541,1169 6.179,1170 5.119,1171 5.087,1172 7.136,1174 16.893,1175 5.068,1176 9.729,1177 1.509,1178 1.545,1179 1.535,1180 1.482,1181 1.478,1182 1.943,1184 4.176,1185 1.459,1186 4.028,1187 4.059,1188 3.978,1189 3.947,1190 8.201,1191 3.95,1192 3.912,1193 3.94,1194 3.859,1195 3.844,1196 7.428,1197 3.843,1198 3.631,1199 3.672,1200 3.53,1201 3.521,1202 4.82,1203 3.516,1204 3.387,1205 3.436,1206 3.269,1207 3.263,1208 4.673,1209 3.257,1210 3.138,1211 3.217,1212 2.958,1213 2.992,1214 4.165,1215 2.971,1216 3.023,1217 3.118,1218 2.854,1219 2.855,1220 4.092,1221 2.832,1222 2.921,1223 2.963,1224 2.806,1225 2.747,1226 3.803,1227 2.755,1228 2.889,1229 2.937,1230 2.763,1231 2.733,1232 3.631,1233 2.732,1234 0.186,1235 0.148,1236 0.27,1237 0.17,1238 0.129,1239 4.454,1240 0.172,1241 3.541,1243 6.489,1244 0.421,1245 4.08,1246 0.128,1247 3.087,1248 4.136,1250 10.105,1251 3.068,1252 1.985,1253 1.957,1254 2.109,1255 2.091,1256 1.412,1257 2.097,1258 1.903,1259 1.877,1260 2.012,1261 1.99,1262 1.096,1263 1.997,1264 1.626,1265 1.586,1266 1.817,1267 1.772,1268 0.977,1269 1.789,1270 1.381,1271 1.333,1272 1.595,1273 1.545,1274 0.753,1275 1.562,1276 1.167,1277 1.091,1278 1.478,1279 1.36,1280 0.62,1281 1.405,1282 1.057,1283 0.968,1284 1.405,1285 1.286,1286 0.57,1287 1.334,1288 0.871,1289 0.829,1290 1.131,1291 1.069,1292 0.239,1293 1.084,1294 0.849,1295 0.803,1296 1.058,1297 1.062,1298 0.159,1299 1.051,1300 3.892,1302 5.198,1304 6.713,1306 8.321,1308 9.974,1310 1.86,1312 13.572,1315 4.298,1326 25.861,1327 57.108,1328 133.562,1329 174.513,1330 194.122,1331 200.122,1332 200.122,1333 41.827,1334 6.802,1335 29.96,1336 29.96,1337 18,1338 12.188,1339 3.907,1340 3.17,1341 34.554,1342 74,1343 64,1344 0.229,1345 159.414,1346 283.12,1347 380.731,1348 7804,1349 2.5,1350 15.527,1351 0.706,1352 0.573,1353 14.656,1354 12.603,1355 10.648,1356 0.444,1357 0.317,1358 7.559,1359 10.403,1360 7.351,1361 6.102,1362 10.237,1363 7.613,1364 9.494,1365 0.288,1366 0.171,1367 8.976,1368 5.653,1369 8.06,1370 0.187,1371 0.095,1372 7.533,1373 4.076,1374 6.445,1375 0.122,1376 0.054,1377 6.121,1378 2.852,1379 5.162,1380 0.078,1381 0.031,1382 5.003,1383 2.044,1384 0.357,1385 65.739,1386 0.25,1387 21.757,1388 0.63,1389 114,1390 355.492,1391 121.988,1392 323.911,1393 434.76,1394 302,1395 133,1396 311.787,1397 140.65,1398 313.12,1399 456.1,1400 296,1401 4.745}
{0 CHEMBL1502712,1 1.804,2 9.3,3 4.952,4 24.52,5 114.998,6 8.584,7 0.387,8 4.054,9 4.141,10 3.858,11 3.61,12 5.22,13 3.568,14 4.605,15 4.751,16 4.213,17 3.991,18 6.016,19 3.942,20 4.853,21 4.991,22 4.42,23 4.211,24 6.121,25 4.137,26 5.108,27 5.266,28 4.49,29 4.253,30 6.488,31 4.194,32 5.091,33 5.257,34 4.48,35 4.25,36 6.55,37 4.198,38 5.076,39 5.233,40 4.428,41 4.313,42 6.617,43 4.24,44 5.202,45 5.444,46 4.197,47 4.284,48 6.297,49 4.175,50 5.018,51 5.219,52 4.168,53 4.145,54 6.276,55 4.061,56 0.217,57 0.741,58 11.569,59 5.39,60 18.276,61 6.099,62 0.689,63 1.153,64 21.366,65 8.889,66 100.536,67 10.475,68 0.63,69 1.479,70 32.424,71 12.136,72 51.455,73 13.141,74 1.32,75 1.673,76 52.126,77 14.846,78 191.458,79 15.198,80 1.53,81 1.649,82 45.636,83 13.901,84 240.765,85 14.999,86 1.207,87 1.702,88 38.839,89 14.474,90 190.154,91 17.089,92 1.104,93 1.799,94 49.765,95 16.143,96 156.358,97 20.536,98 1.032,99 1.459,100 41.513,101 13.091,102 132.314,103 15.695,104 108,105 46,106 0.299,107 0.594,108 0.729,109 0.804,110 0.816,111 0.816,112 3.441,113 1.057,114 -5,115 -4.9,116 -4.59,120 37.7,121 4,126 2,131 1,143 7,144 2,145 3,159 1,167 2,174 8,176 5,177 5,185 11,188 2,189 16,197 8,201 17,209 3,213 7,214 10,222 12,226 6,227 16,235 11,240 13,247 9,251 2,252 12,260 13,263 4,264 10,271 8,274 1640,275 18.813,276 18.813,277 18.813,278 18.813,279 18.813,280 16.6,281 22.002,282 10.719,283 19.371,284 15.147,285 15.147,286 15.147,287 15.147,288 15.147,289 11.745,290 23.411,291 4.918,292 15.999,293 3.924,294 2.152,295 1.338,296 0.887,297 0.812,298 0.812,299 4.092,303 1,306 1,307 1,308 559,309 5.148,313 237.078,320 1.407,321 60.669,324 1,325 0.83,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.85,332 67.333,333 279,334 5.01,335 4.75,336 8.019,337 4.664,338 3.718,339 4.79,340 2.612,341 15.053,342 3.514,343 4.439,344 4.08,345 7.236,346 4.125,347 3.179,348 4.06,349 2.472,350 11.857,351 2.974,352 4.302,353 3.813,354 6.349,355 3.817,356 2.879,357 3.63,358 0.69,359 9.444,360 2.685,361 4.005,362 2.995,363 5.636,364 3.602,365 2.606,366 3.546,367 0.347,368 7.318,369 2.592,370 3.543,371 2.902,372 5.333,373 3.108,374 2.12,375 2.966,377 6.014,378 2.092,379 3.424,380 2.709,381 4.879,382 2.888,383 1.929,384 2.707,386 5.454,387 1.844,388 3.138,389 2.351,390 4.722,391 2.719,392 1.803,393 2.324,395 4.758,396 1.609,397 2.954,398 1.852,399 4.647,400 2.496,401 1.564,402 1.98,404 4.293,405 1.395,406 2.607,407 1.788,408 3.908,409 2,410 1,411 1.595,413 2.55,414 1,415 2.5,416 1.422,417 3.606,418 2,419 1,420 1.5,422 2.414,423 1,424 2.141,425 1.168,426 3.414,427 1.915,428 0.968,429 1.084,431 2.275,432 0.903,433 1.971,434 1,435 3.116,436 1.703,437 0.717,438 0.824,440 1.27,441 0.697,442 1.252,443 1,444 2.999,445 0.935,446 -0.04,447 -0.048,449 -0.093,450 -0.034,451 1.204,452 0.661,453 2.736,454 0.713,455 -0.121,456 -0.153,458 -0.28,459 -0.094,460 1,461 0.317,462 2.538,463 0.394,464 -0.589,465 -0.666,467 -0.897,468 -0.569,469 14.348,470 0.478,471 1.18,472 0.039,473 37.75,474 1.258,475 19.5,476 0.65,477 18.25,478 0.608,479 29.563,480 0.985,481 34.252,482 0.646,483 35.236,484 1.175,485 7.272,486 0.242,487 6.634,488 0.221,489 0.305,490 0.093,491 0.265,496 0.437,497 1.361,498 0.695,499 1.238,500 0.584,501 1.019,502 0.556,503 1.039,504 0.625,505 0.808,506 0.458,507 0.789,508 0.881,509 1.296,510 1.112,511 1.279,512 0.733,513 1.093,514 1.402,515 1.133,516 1.27,517 1.251,518 1.411,519 1.015,520 1.161,521 0.843,522 0.803,523 0.837,524 1.351,525 0.845,526 0.629,527 1.191,528 0.868,529 1.214,530 0.671,531 1.189,532 0.857,533 0.892,534 0.712,535 0.824,536 0.802,537 0.871,538 1.1,539 0.95,540 1.01,541 0.94,542 1.053,543 0.997,544 9.5,545 0.169,546 5.556,547 3.563,548 2.716,549 1.986,550 0.9,551 0.84,552 0.534,553 0.284,554 8887,555 33112,556 1.852,557 43.4,558 3,559 11,564 9,567 1.739,568 1.651,569 3.177,570 -0.66,575 95.59,576 1.804,577 3.576,578 4.39,579 4.841,580 4.916,581 4.916,582 2.656,583 4.19,584 4.875,585 3.371,586 1466.47,587 8.57,588 19752.8,590 1,593 303.58,594 1.826,595 4.76,596 0.306,597 0.01,598 0.121,599 0.069,600 0.052,601 0.037,602 0.017,603 0.018,604 0.013,605 0.01,606 0.652,607 0.17,608 1,609 1.443,610 150.377,611 0.166,612 -0.1,613 0.145,614 -0.081,615 -0.071,616 -0.02,617 0.25,618 0.08,619 0.199,620 0.193,621 0.246,622 0.181,623 -0.043,624 -0.13,625 -0.048,626 -0.12,627 -0.003,628 -0.106,629 -0.2,630 -0.1,631 -0.105,632 -0.109,633 -0.152,634 -0.051,635 0.011,636 0.176,637 0.079,638 0.154,639 -0.048,640 0.087,641 0.245,642 -0.154,643 -0.035,644 -0.223,645 0.26,646 -0.209,647 -0.044,648 0.026,649 0.097,650 0.079,651 -0.038,652 0.143,653 -0.123,654 -0.006,655 -0.071,656 -0.02,657 -0.102,658 -0.02,659 5.25,660 6.498,661 0.4,662 26.889,663 1.024,664 1.126,665 3.765,666 14.176,667 0.672,668 3.466,669 3.85,670 4.078,671 4.248,672 4.443,673 4.454,674 4.466,675 4.595,676 4.477,677 4.248,678 5.935,679 0.644,680 454.97,681 3.466,682 5.043,683 5.894,684 6.799,685 7.681,686 8.592,687 9.486,688 10.402,689 11.303,690 12.222,691 3.8,694 1,702 1,709 7,714 5,716 12,731 1,737 1,738 53,739 17,740 2,741 31,743 54,744 20,745 12,746 5,747 7,752 2,753 2,754 1,759 4,768 13,769 7,770 1,772 5,775 1,776 1,778 5,782 1,789 23,790 7,792 10,793 2,797 2,803 1,804 6,823 2,841 1,855 2,857 1,859 4,860 1,862 30,866 1,869 2,872 1,875 1,876 1,885 1,886 11.3,889 3,891 1,892 2,893 18.167,894 10.793,895 6.556,896 3.1,898 2.025,899 1.298,900 0.911,901 7.509,902 8.823,903 3.761,904 4.394,905 4.84,906 5.277,907 5.771,908 5.964,909 6.104,910 6.349,911 6.39,912 6.407,913 1,914 52,915 11.657,917 5.494,918 8.293,919 20.329,921 16.351,924 2.793,925 83.778,928 1,929 270.735,930 135.511,931 7.189,932 39.149,933 131.205,935 5.807,936 129.703,937 441.089,938 7.189,939 40.971,940 6.698,941 72.141,942 76.649,943 26.698,945 270.735,946 89.896,947 270.735,948 136.892,949 131.205,950 44.956,952 164.795,953 186.398,954 50.747,956 43.517,957 87.704,958 50.626,960 270.735,961 138.393,962 174.659,964 5.807,965 270.735,966 28.069,967 108.823,969 170.353,970 270.735,971 138.393,972 174.659,973 0.601,974 0.351,975 0.169,976 0.093,977 20,978 12,979 0.167,980 9,982 1,983 3.677,984 267.481,986 12,987 137.207,992 1,993 24.13,994 9.336,995 5.327,997 132.723,998 10.366,1003 0.565,1006 583.788,1007 42,1010 -0.762,1011 -4.334,1013 62.041,1017 -0.732,1020 54.287,1021 59.684,1022 0.315,1023 0.624,1024 0.766,1025 0.845,1026 0.858,1027 0.858,1028 5.037,1029 1.564,1030 5.984,1031 4.758,1032 4.533,1033 5.081,1034 3.163,1035 6.927,1036 4.431,1037 6.318,1038 1,1039 7.657,1040 4.293,1041 4.575,1042 5.33,1043 2.946,1044 8.429,1045 4.405,1046 7.704,1047 1,1048 9.457,1049 2.55,1050 6.337,1051 7.409,1052 4.722,1053 11.523,1054 6.128,1055 9.132,1056 0.968,1057 11.334,1058 2.414,1059 7.148,1060 8.407,1061 5.105,1062 13.819,1063 6.864,1064 10.594,1065 0.717,1066 13.262,1067 2.275,1068 8.535,1069 10.099,1070 6.464,1071 16.605,1072 8.209,1073 12.08,1074 -0.04,1075 15.224,1076 1.27,1077 9.636,1078 11.398,1079 7.103,1080 19.159,1081 9.237,1082 13.586,1083 -0.121,1084 17.211,1085 -0.093,1086 10.929,1087 12.977,1088 8.271,1089 21.874,1090 10.48,1091 3.718,1092 -0.589,1093 19.217,1094 -0.28,1095 12.14,1096 14.407,1097 9.042,1098 24.518,1099 11.625,1100 3.179,1101 15.053,1102 21.236,1103 -0.897,1104 13.417,1105 15.956,1106 10.111,1107 27.22,1108 12.848,1109 2.879,1110 11.857,1111 23.266,1112 4.79,1113 14.674,1114 17.448,1115 10.955,1116 29.899,1117 14.044,1118 2.606,1119 9.444,1120 25.304,1121 4.06,1122 15.955,1123 18.991,1124 11.97,1125 32.6,1126 15.27,1127 2.12,1128 7.318,1129 27.349,1130 3.63,1131 17.234,1132 20.515,1133 12.856,1134 35.295,1135 16.49,1136 1.929,1137 6.014,1138 29.399,1139 3.546,1140 18.522,1141 22.061,1142 13.841,1143 37.999,1144 17.723,1145 1.803,1146 5.454,1147 31.453,1148 2.966,1149 19.813,1150 23.602,1151 14.752,1152 40.702,1153 18.957,1154 9255,1155 18145,1156 18.493,1157 35.619,1158 47.554,1159 50.646,1160 50.565,1161 47.158,1162 46.968,1163 62.01,1164 12.243,1165 145.398,1166 44.609,1167 5.923,1168 6.75,1169 7.787,1170 5.734,1171 5.718,1172 7.79,1173 4.612,1174 24.101,1175 5.514,1176 21.858,1177 1.534,1178 1.634,1179 1.631,1180 1.521,1181 1.515,1182 2,1183 0.395,1184 4.69,1185 1.439,1186 4.129,1187 4.117,1188 4.745,1189 4.094,1190 7.815,1191 4.02,1192 3.93,1193 3.958,1194 4.014,1195 3.868,1196 7.715,1197 3.859,1198 3.816,1199 3.83,1200 3.857,1201 3.667,1202 7.431,1203 3.655,1204 3.645,1205 3.639,1206 3.637,1207 3.462,1208 6.999,1209 3.429,1210 3.453,1211 3.519,1212 3.513,1213 3.243,1214 6.999,1215 3.226,1216 3.362,1217 3.389,1218 3.257,1219 3.129,1220 4.887,1221 3.117,1222 3.246,1223 3.293,1224 3.129,1225 2.99,1226 4.74,1227 3.058,1228 2.936,1229 3.009,1230 3.082,1231 2.735,1232 4.479,1233 2.715,1234 0.162,1235 0.153,1236 0.259,1237 0.15,1238 0.12,1239 5.01,1240 0.155,1241 4.75,1242 0.084,1243 8.019,1244 0.486,1245 4.664,1246 0.113,1247 3.718,1248 4.79,1249 2.612,1250 15.053,1251 3.514,1252 1.993,1253 1.999,1254 2.063,1255 2.104,1256 1.285,1257 2.112,1258 1.918,1259 1.895,1260 1.954,1261 2.021,1262 1.149,1263 2.019,1264 1.72,1265 1.691,1266 1.895,1267 1.914,1268 1.063,1269 1.907,1270 1.477,1271 1.458,1272 1.789,1273 1.741,1274 0.933,1275 1.748,1276 1.391,1277 1.354,1278 1.603,1279 1.667,1280 0.78,1281 1.648,1282 1.267,1283 1.213,1284 1.417,1285 1.509,1286 0.529,1287 1.524,1288 1.123,1289 1.1,1290 1.319,1291 1.38,1292 0.469,1293 1.405,1294 0.934,1295 0.821,1296 1.272,1297 1.239,1298 0.351,1299 1.308,1300 4.143,1302 5.509,1304 7.072,1306 8.726,1308 10.428,1310 6.38,1311 5.823,1315 -0.058,1318 5.082,1321 0.982,1322 -1.575,1326 34.141,1327 95.59,1328 189.522,1329 232.644,1330 256.56,1331 260.56,1332 260.56,1333 134.108,1334 6.798,1335 109.5,1336 117.88,1337 12,1338 12.735,1339 4.17,1340 3.585,1341 68.372,1342 99,1343 124,1344 0.324,1345 221.441,1346 395.38,1347 532.076,1348 6199,1349 1.9,1350 22.69,1351 0.756,1352 0.622,1353 23.44,1354 18.658,1355 13.906,1356 0.449,1357 0.352,1358 9.118,1359 12.199,1360 8.586,1361 7.189,1362 14.983,1363 10.923,1364 13.642,1365 0.297,1366 0.205,1367 15.302,1368 9.417,1369 10.659,1370 0.184,1371 0.119,1372 12.369,1373 6.883,1374 7.859,1375 0.114,1376 0.068,1377 9.579,1378 4.708,1379 5.987,1380 0.071,1381 0.041,1382 7.451,1383 3.407,1384 0.487,1385 99.375,1386 0.233,1387 27.554,1388 0.96,1389 154,1390 576.767,1391 228.839,1392 592.917,1393 763.85,1394 538,1395 181,1396 495.057,1397 263.294,1398 540.563,1399 784.33,1400 501,1401 4.697}
{0 CHEMBL1502891,1 1.713,2 11.038,3 3.42,4 11.699,5 93.471,6 8.759,7 0.643,8 3.822,9 3.918,10 3.494,11 3.348,12 5.162,13 3.379,14 4.234,15 4.347,16 3.843,17 3.687,18 5.756,19 3.696,20 4.476,21 4.647,22 3.839,23 3.767,24 5.774,25 3.76,26 4.507,27 4.696,28 3.762,29 3.667,30 5.815,31 3.66,32 4.416,33 4.613,34 3.722,35 3.606,36 5.771,37 3.603,38 4.337,39 4.522,40 3.601,41 3.567,42 5.595,43 3.55,44 4.269,45 4.466,46 3.603,47 3.491,48 5.685,49 3.471,50 4.166,51 4.356,52 3.441,53 3.37,54 5.466,55 3.358,56 0.176,57 0.596,58 5.861,59 3.129,60 21.303,61 3.148,62 0.398,63 0.906,64 9.16,65 4.985,66 59.135,67 5.562,68 0.404,69 1.089,70 14.762,71 5.991,72 39.34,73 6.941,74 0.568,75 1.05,76 17.861,77 6.399,78 76.757,79 7.397,80 0.599,81 0.983,82 16.294,83 5.296,84 58.644,85 6.399,86 0.467,87 0.903,88 14.721,89 5.349,90 69.411,91 6.136,92 0.508,93 0.855,94 13.597,95 4.764,96 49.065,97 6.179,98 0.335,99 0.733,100 12.459,101 4.717,102 43.252,103 5.632,104 21,105 38,106 0.299,107 0.581,108 0.709,109 0.816,110 0.833,111 0.868,112 3.303,113 0.809,114 -3.97,115 -3.93,116 -3.72,120 45,143 9,144 2,145 2,146 1,148 1,151 1,159 2,168 2,172 2,174 8,175 2,176 1,177 4,180 5,182 7,185 8,186 4,189 4,194 8,197 4,198 2,201 8,204 1,205 1,206 5,207 2,209 2,210 2,214 8,217 2,218 2,219 2,222 2,227 5,228 3,232 4,235 3,236 1,239 3,240 3,243 3,245 5,247 2,252 1,253 1,257 2,258 2,260 5,261 1,263 1,264 1,267 3,268 2,269 1,271 8,274 996,275 17.309,276 17.309,277 17.309,278 17.309,279 17.309,280 14.85,281 23.529,282 10.329,283 17.57,284 13.852,285 13.852,286 13.852,287 13.852,288 13.852,289 10.164,290 40.802,291 4.933,292 14.296,293 3.609,294 1.994,295 1.263,296 0.65,297 0.55,298 0.35,299 3.986,305 1,306 1,307 1,308 604,309 3.317,313 266.868,320 1.811,321 34.907,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 58,333 287,334 4.233,335 3.579,336 5.988,337 3.843,338 2.869,339 3.838,340 1.437,341 8.585,342 2.808,343 4.199,344 3.578,345 5.981,346 3.817,347 2.825,348 3.796,349 1.437,350 8.505,351 2.798,352 4.05,353 2.937,354 5.686,355 3.619,356 2.67,357 3.631,358 0.4,359 7.899,360 2.512,361 3.684,362 2.738,363 5.395,364 3.337,365 2.376,366 2.991,367 0.4,368 7.02,369 2.275,370 3.553,371 2.428,372 5.09,373 3.127,374 2.151,375 2.882,377 6.142,378 2.088,379 3.23,380 2.105,381 4.74,382 2.78,383 1.827,384 2.481,386 5.194,387 1.731,388 2.835,389 1.78,390 3.773,391 2.349,392 1.359,393 1.938,395 3.045,396 1.336,397 2.788,398 1.656,399 3.754,400 2.295,401 1.303,402 1.876,404 2.984,405 1.284,406 2.648,407 1.229,408 3.491,409 2.112,410 1.167,411 1.715,413 2.598,414 1.099,415 2.53,416 1.168,417 3.436,418 2.005,419 1,420 1.475,422 2.323,423 0.994,424 2.53,425 1.151,426 3.436,427 2.005,428 1,429 1.475,431 2.323,432 0.994,433 1.312,434 0.436,435 2.931,436 0.945,442 1.27,443 0.436,444 2.819,445 0.934,451 0.809,452 0.168,453 2,454 0.345,455 -0.63,456 -0.848,458 -1.484,459 -0.605,460 0.761,461 0.138,462 2,463 0.294,464 -0.698,465 -0.924,467 -1.745,468 -0.674,469 11.933,470 0.459,471 0.664,472 0.026,473 39,474 1.5,475 22,476 0.846,477 17,478 0.654,479 15.171,480 0.584,481 27.067,482 0.677,483 29.722,484 1.143,485 8.121,486 0.312,487 4.387,488 0.169,489 0.112,491 0.335,496 0.901,497 1.169,498 0.719,499 0.882,500 0.793,501 0.769,502 0.413,503 1.096,504 0.741,505 1.089,506 0.376,507 1.031,508 0.887,509 1.263,510 1.014,511 1.132,512 0.719,513 1.093,514 1.117,515 1.124,516 1.053,517 1.041,518 1.071,519 1.032,520 0.928,521 0.917,522 1.001,523 0.811,524 0.855,525 0.879,526 1.109,527 1.143,528 1.086,529 0.954,530 1.049,531 0.997,532 0.552,533 0.905,534 0.892,535 0.898,536 0.494,537 0.956,538 0.972,539 1.094,540 0.955,541 1.089,542 0.895,543 1.021,544 6,545 0.132,546 2,547 1.75,548 1.067,549 0.667,550 0.483,551 0.313,552 0.222,553 0.151,554 8186,555 29909,556 2.037,557 35,559 9,561 1,562 4,567 1.688,568 1.902,569 3.477,570 1.773,572 1,574 1,575 68.516,576 1.713,577 3.328,578 4.059,579 4.672,580 4.772,581 4.972,582 2.902,583 3.258,584 4.674,585 3.642,586 1183.67,587 8.084,588 15270,589 1,590 1,591 1,592 1,593 212.877,594 1.42,595 4.628,596 0.214,597 0.008,598 0.053,599 0.047,600 0.032,601 0.021,602 0.017,603 0.011,604 0.009,605 0.008,606 0.42,607 0.17,608 1,609 0.881,610 128.971,611 -0.176,612 -0.051,613 -0.032,614 0.086,615 -0.165,616 0.076,617 0.292,618 0.013,619 -0.009,620 -0.128,621 0.258,622 -0.162,623 -0.142,624 -0.207,625 -0.132,626 -0.185,627 -0.045,628 -0.153,629 -0.153,630 -0.143,631 -0.048,632 -0.084,633 -0.133,634 -0.052,635 -0.016,636 0.132,637 -0.012,638 0.11,639 -0.035,640 0.071,641 -0.222,642 -0.146,643 -0.119,644 0.009,645 -0.198,646 -0.019,647 0.245,648 0.148,649 0.075,650 0.036,651 0.193,652 0.013,653 -0.103,654 -0.129,655 0.037,656 -0.106,657 -0.047,658 -0.008,659 2.691,660 4.033,661 0.692,662 24.024,663 1.028,664 1.123,665 2.744,666 7.528,667 0.691,668 3.367,669 3.664,670 3.85,671 4.06,672 4.263,673 4.234,674 4.344,675 4.382,676 4.466,677 4.533,678 6.751,679 0.689,680 350.36,681 3.367,682 4.89,683 5.707,684 6.561,685 7.393,686 8.248,687 9.085,688 9.939,689 10.778,690 11.632,691 10,699 2,701 2,709 10,710 2,714 6,716 18,725 2,729 2,738 40,739 20,740 2,741 28,743 42,744 18,745 16,746 4,747 8,748 2,752 3,753 3,768 18,772 2,778 2,782 2,785 1,786 1,789 14,790 8,791 4,792 8,797 4,803 1,804 4,817 1,823 3,853 2,855 3,862 26,868 2,871 2,886 10,888 2,889 2,893 13.667,894 6.967,895 5.722,896 2.081,898 3.531,899 1.494,900 0.947,901 5.224,902 10.675,903 3.689,904 4.27,905 4.777,906 5.31,907 5.836,908 5.921,909 6.293,910 6.586,911 6.979,912 7.341,913 1,914 37,915 9.53,917 4.065,918 8.205,919 17.26,921 13.557,924 2.705,925 70.333,928 1,929 117.711,930 112.265,931 69.593,933 135.657,936 112.265,937 253.368,938 69.593,941 85.286,942 182.818,943 56.954,944 4.227,945 105.94,947 117.711,948 181.858,949 135.657,952 117.711,953 135.657,956 46.968,957 101.319,958 33.571,960 117.711,961 205.249,962 112.265,965 117.711,966 17.931,967 94.334,968 36.022,969 169.228,970 117.711,971 205.249,972 112.265,973 0.579,974 0.321,975 0.165,976 0.092,977 17,978 8,979 0.143,980 6,982 1,983 3.83,984 206.836,986 18,987 122.211,993 17.547,994 7.74,995 4.642,997 205.249,998 15.777,999 8.377,1003 2.145,1005 121.388,1006 435.225,1007 39,1013 22.061,1017 -2.041,1020 41.134,1021 44.907,1022 0.322,1023 0.625,1024 0.763,1025 0.878,1026 0.897,1027 0.934,1028 4.894,1029 1.303,1030 5.68,1031 3.045,1032 4.344,1033 4.956,1034 2.292,1035 6.422,1036 4.282,1037 6.1,1038 1.167,1039 7.198,1040 2.984,1041 3.892,1042 4.663,1044 7.149,1045 3.797,1046 7.389,1047 1,1048 8.808,1049 2.598,1050 5.878,1051 7.093,1052 2.898,1053 10.174,1054 5.757,1055 8.707,1056 1,1057 10.469,1058 2.323,1059 6.176,1060 7.53,1062 11.655,1063 6.028,1064 10.05,1066 12.161,1067 2.323,1068 7.655,1069 9.466,1070 3.589,1071 14.167,1072 7.483,1073 11.411,1075 13.874,1077 8.309,1078 10.265,1080 15.981,1081 8.117,1082 12.785,1083 -0.63,1084 15.6,1086 9.557,1087 11.957,1088 4.299,1089 18.28,1090 9.343,1091 2.869,1092 -0.698,1093 17.336,1094 -1.484,1095 10.394,1096 12.961,1098 20.256,1099 10.163,1100 2.825,1101 8.585,1102 19.08,1103 -1.745,1104 11.531,1105 14.514,1106 5.016,1107 22.461,1108 11.279,1109 2.67,1110 8.505,1111 20.83,1112 3.838,1113 12.462,1114 15.641,1116 24.517,1117 12.195,1118 2.376,1119 7.899,1120 22.584,1121 3.796,1122 13.545,1123 17.11,1124 5.737,1125 26.681,1126 13.26,1127 2.151,1128 7.02,1129 24.341,1130 3.631,1131 14.527,1132 18.314,1134 28.777,1135 14.227,1136 1.827,1137 6.142,1138 26.102,1139 2.991,1140 15.584,1141 19.731,1142 6.46,1143 30.923,1144 15.268,1145 1.359,1146 5.194,1147 27.866,1148 2.882,1149 16.592,1150 20.982,1152 33.039,1153 16.261,1154 8026,1155 15462,1156 18.493,1157 27.648,1158 41.917,1159 42.903,1160 42.466,1161 41.209,1162 41.095,1163 56.194,1164 7.347,1165 113.236,1166 39.839,1167 5.03,1168 5.579,1169 5.545,1170 4.916,1171 4.869,1172 6.838,1173 2.873,1174 14.585,1175 4.808,1176 13.607,1177 1.497,1178 1.532,1179 1.517,1180 1.472,1181 1.468,1182 2.007,1183 0.262,1184 4.044,1185 1.423,1186 3.988,1187 4.026,1188 3.943,1189 3.887,1190 7.477,1191 3.893,1192 3.913,1193 3.937,1194 3.863,1195 3.84,1196 7.472,1197 3.842,1198 3.769,1199 3.812,1200 3.728,1201 3.614,1202 6.352,1203 3.637,1204 3.315,1205 3.32,1206 3.274,1207 3.057,1208 6.35,1209 3.104,1210 3.283,1211 3.275,1212 3.235,1213 3.027,1214 5.029,1215 3.072,1216 3.068,1217 3.131,1218 2.971,1219 2.865,1220 4.714,1221 2.879,1222 2.963,1223 3.04,1224 2.84,1225 2.788,1226 4.673,1227 2.789,1228 2.685,1229 2.75,1230 2.555,1231 2.507,1232 4.087,1233 2.516,1234 0.151,1235 0.128,1236 0.214,1237 0.137,1238 0.102,1239 4.233,1240 0.137,1241 3.579,1242 0.051,1243 5.988,1244 0.307,1245 3.843,1246 0.1,1247 2.869,1248 3.838,1249 1.437,1250 8.585,1251 2.808,1252 1.922,1253 1.895,1254 2.016,1255 2.051,1256 1.095,1257 2.038,1258 1.899,1259 1.877,1260 1.998,1261 1.995,1262 1.085,1263 1.996,1264 1.704,1265 1.658,1266 1.799,1267 1.874,1268 0.78,1269 1.857,1270 1.157,1271 1.146,1272 1.275,1273 1.462,1274 0.287,1275 1.393,1276 1.123,1277 1.121,1278 1.251,1279 1.428,1280 0.231,1281 1.36,1282 1.004,1283 0.944,1284 1.222,1285 1.261,1286 0.227,1287 1.249,1288 0.934,1289 0.866,1290 1.18,1291 1.167,1292 0.22,1293 1.176,1294 0.648,1295 0.587,1296 0.895,1297 0.897,1299 0.911,1300 4.043,1302 5.342,1304 6.825,1306 8.388,1308 9.989,1314 18.074,1317 5.942,1326 27.579,1327 68.516,1328 133.129,1329 162.348,1330 186.877,1331 190.877,1332 198.877,1333 49.182,1334 7.144,1335 124.44,1336 124.44,1337 18,1338 12.19,1339 4.392,1340 3.585,1341 44.469,1342 107,1343 86,1344 0.204,1345 172.213,1346 300.3,1347 411.96,1348 12484,1350 18.518,1351 0.712,1352 0.515,1353 18.518,1354 13.379,1355 12.508,1356 0.447,1357 0.27,1358 7.426,1359 11.967,1360 7.316,1361 6.084,1362 12.508,1363 7.549,1364 11.444,1365 0.301,1366 0.139,1367 11.444,1368 5.287,1369 8.757,1370 0.19,1371 0.074,1372 8.757,1373 3.403,1374 7.078,1375 0.124,1376 0.039,1377 7.078,1378 2.225,1379 5.744,1380 0.082,1381 0.02,1382 5.744,1383 1.43,1384 0.326,1385 79.037,1386 0.233,1387 25.384,1388 0.546,1389 132,1390 473.726,1391 148.96,1392 457.753,1393 606.84,1394 422,1395 150,1396 435.122,1397 164.305,1398 439.682,1399 634.18,1400 412,1401 6.551}
{0 CHEMBL1503292,1 2.184,2 7.8,3 3.928,4 15.428,5 68.525,6 11.916,7 0.571,8 3.452,9 3.493,10 3.557,11 3.131,12 4.756,13 3.112,14 3.997,15 4.064,16 3.987,17 3.471,18 6.071,19 3.477,20 4.151,21 4.244,22 4.113,23 3.587,24 5.803,25 3.552,26 4.249,27 4.369,28 4.03,29 3.418,30 6.093,31 3.451,32 3.95,33 4.045,34 3.83,35 3.172,36 5.794,37 3.22,38 3.624,39 3.723,40 3.504,41 3.022,42 4.943,43 2.992,44 3.728,45 3.86,46 3.364,47 2.773,48 6.089,49 2.819,50 3.219,51 3.407,52 2.67,53 2.303,54 4.846,55 2.356,56 0.259,57 0.602,58 1.251,59 2.888,60 64.918,61 1.955,62 0.925,63 1.276,64 1.802,65 4.487,66 176.763,67 3.05,68 0.711,69 0.998,70 12.105,71 6.274,72 116.937,73 4.936,74 1.164,75 1.016,76 16.635,77 6.819,78 202.075,79 4.472,80 0.89,81 0.594,82 11.322,83 4.582,84 150.308,85 2.729,86 0.385,87 0.607,88 7.579,89 3.795,90 88.421,91 2.538,92 0.956,93 0.586,94 8.327,95 3.536,96 190.803,97 3.18,98 0.38,99 0.5,100 5.163,101 2.303,102 57.394,103 2.429,104 38,105 32,106 0.422,107 0.619,108 0.712,109 0.794,110 0.814,111 0.814,112 3.058,113 1.017,114 -4.37,115 -4.3,116 -4.06,120 44.4,133 1,143 6,144 1,145 2,146 1,148 1,174 5,176 1,177 1,185 5,188 2,189 6,197 3,201 10,214 6,222 4,227 1,235 6,247 4,260 1,274 464,275 12.435,276 12.435,277 12.435,278 12.435,279 12.435,280 10.759,281 9.461,282 7.039,283 13.135,284 10.327,285 10.327,286 10.327,287 10.327,288 10.327,289 7.785,290 8.873,291 3.29,292 11.645,293 2.571,294 1.552,295 1.075,296 0.649,297 0.546,298 0.546,299 3.701,303 1,306 1,307 1,308 317,309 3.742,313 138.811,320 1.3,321 51.315,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.333,333 156,334 4.995,335 5.36,336 7.719,337 4.406,338 3.549,339 4.891,340 3.825,341 13.874,342 3.008,343 4.441,344 4.461,345 7.115,346 4.157,347 3.306,348 3.859,349 2.95,350 11.685,351 2.825,352 3.859,353 3.294,354 5.956,355 3.375,356 2.485,357 3.272,359 7.861,360 2.182,361 3.488,362 2.551,363 4.934,364 2.927,365 1.971,366 2.899,368 5.333,369 1.828,370 2.892,371 1.956,372 4.506,373 2.414,374 1.525,375 2.019,377 4.306,378 1.315,379 2.77,380 1.76,381 4.024,382 2.251,383 1.33,384 1.883,386 3.304,387 1.181,388 2.609,389 1.101,390 3.548,391 2.016,392 1.049,393 1.61,395 2.593,396 1.007,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 1.166,407 0.608,408 3.019,409 0.626,410 -0.171,411 -0.215,413 -0.424,414 -0.114,415 1,416 0.51,417 2.715,418 0.229,419 -0.684,420 -0.883,422 -1.639,423 -0.561,424 0.736,425 0.51,426 2.492,427 0.21,428 -0.733,429 -1,431 -1.956,432 -0.684,433 0.707,434 0.093,435 2.235,437 -1,438 -1,440 -2.347,441 -0.7,442 0.5,443 -0.169,444 2,446 -1,447 -1.044,449 -3,450 -0.7,452 -0.649,453 2,454 -0.3,455 -1,456 -1.5,458 -3,459 -1,461 -1,462 2,463 -0.3,464 -1,465 -1.714,467 -3,468 -1,469 9.471,470 0.474,471 0.86,472 0.043,473 27.5,474 1.375,475 15,476 0.75,477 12.5,478 0.625,479 13.057,480 0.653,481 22.329,482 0.827,483 21.968,484 1.098,485 5.514,486 0.276,487 3.712,488 0.186,489 0.236,490 0.141,491 0.211,493 3,496 0.528,497 0.864,498 0.673,499 1.076,500 0.678,501 0.813,502 0.483,503 0.673,504 0.655,505 0.835,506 0.49,507 0.866,508 0.687,509 0.908,510 0.948,511 1.156,512 0.675,513 1.077,514 1.224,515 0.816,516 1.29,517 1.036,518 1.266,519 0.917,520 1.058,521 0.759,522 1.151,523 0.929,524 1.145,525 0.921,526 0.719,527 0.882,528 1.221,529 1.349,530 0.846,531 1.34,532 0.521,533 0.947,534 0.892,535 0.8,536 0.403,537 1.112,538 1.02,539 1.499,540 0.73,541 1.114,542 0.876,543 1.241,544 6.5,545 0.037,546 3.778,547 2.375,548 1.302,549 0.729,550 0.468,551 0.264,552 0.136,553 0.074,554 3153,555 16887,556 1.888,557 25.9,559 6,561 1,567 1.621,568 1.69,569 2.937,570 -0.59,575 58.956,576 2.184,577 3.202,578 3.68,579 4.106,580 4.208,581 4.208,582 2.433,583 3.684,584 4.293,585 3.091,586 587.385,587 7.349,588 5820.57,590 1,592 1,593 128.382,594 1.846,595 4.178,596 0.31,597 0.012,598 0.118,599 0.072,600 0.043,601 0.032,602 0.029,603 0.016,604 0.015,605 0.011,606 0.658,607 0.67,608 1,609 0.953,610 87.039,611 0.031,612 -0.023,613 0.081,614 -0.065,615 -0.112,616 0.012,617 0.359,618 0.318,619 0.056,620 0.081,621 0.364,622 -0.074,623 0.003,624 -0.168,625 0.078,626 -0.121,627 0.028,628 -0.098,629 -0.204,630 0.09,631 -0.166,632 0.023,633 -0.2,634 0.079,635 -0.131,636 -0.043,637 -0.043,638 -0.033,639 -0.191,640 0.014,641 -0.053,642 -0.214,643 -0.093,644 -0.382,645 -0.216,646 -0.335,647 0.626,648 0.032,649 0.043,650 0.025,651 0.73,652 -0.093,653 -0.037,654 -0.497,655 0.133,656 -0.301,657 0.032,658 -0.071,659 5.883,660 5.187,661 0.6,662 13.32,663 1.078,664 1.144,665 3.141,666 9.868,667 0.742,668 3.091,669 3.497,670 3.689,671 3.85,672 3.989,673 3.989,674 4.143,675 3.738,676 3.611,677 3.434,678 4.759,679 0.75,680 321.72,681 3.091,682 4.673,683 5.517,684 6.428,685 7.298,686 8.208,687 9.089,688 9.998,689 10.884,690 11.793,691 3.7,701 1,709 7,710 1,714 4,716 12,737 1,738 27,739 14,740 1,741 21,743 28,744 12,745 11,746 1,747 5,752 2,753 2,754 1,759 1,765 1,768 11,769 1,772 2,776 1,778 2,786 1,787 3,789 7,790 6,792 8,793 2,797 1,803 1,804 2,816 1,823 2,855 2,857 1,860 1,861 3,862 20,865 1,876 1,885 4,886 7.4,889 2,893 11.833,894 4.855,895 4.194,896 1.385,898 2.169,899 1.351,900 0.986,901 3.767,902 8.343,903 3.401,904 4.078,905 4.605,906 5.112,907 5.581,908 5.768,909 6.162,910 5.922,911 6.124,912 6.306,913 1,914 33,915 8.245,917 4.5,918 8.897,919 12.874,921 10.625,924 3.397,925 67.944,929 82.398,930 89.069,931 16.786,932 39.149,933 44.313,934 44.88,935 6.046,936 83.023,937 165.859,938 61.666,941 62.903,942 72.87,943 62.165,944 1.122,945 70.627,946 46.908,947 82.398,948 99.809,949 89.193,950 45.195,952 82.398,953 89.193,956 16.807,957 66.216,958 61.98,960 127.278,961 61.098,962 128.218,964 6.046,965 90.157,966 9.359,967 65.905,969 145.127,970 82.398,971 105.979,972 128.218,973 0.612,974 0.344,975 0.164,976 0.084,977 16,978 8,979 0.071,980 2,982 1,983 2.994,984 149.443,986 12,987 75.684,992 1,993 14.83,994 5.08,995 2.972,997 105.979,998 8.207,999 3.353,1003 -2.356,1006 316.594,1007 29,1011 -4.042,1013 24.375,1020 29.113,1021 30.876,1022 0.459,1023 0.674,1024 0.774,1025 0.864,1026 0.885,1027 0.885,1028 4.673,1029 1,1030 5.631,1031 2.593,1032 4.174,1033 4.762,1034 3.644,1035 6.586,1036 3.932,1037 5.978,1038 -0.171,1039 7.313,1040 2.136,1041 4.29,1042 5.017,1043 3.903,1044 8.148,1045 3.75,1046 7.378,1047 -0.684,1048 9.125,1049 -0.424,1050 6.023,1051 7.161,1052 5.933,1053 11.176,1054 5.476,1055 8.824,1056 -0.733,1057 11.012,1058 -1.639,1059 6.878,1060 8.191,1061 6.69,1062 13.451,1063 6.027,1064 10.306,1065 -1,1066 12.943,1067 -1.956,1068 8.258,1069 9.947,1070 8.407,1071 16.165,1072 7.359,1073 11.814,1074 -1,1075 14.902,1076 -2.347,1077 9.367,1078 11.294,1079 9.388,1080 18.657,1081 8.209,1082 13.341,1083 -1,1084 16.879,1085 -3,1086 10.646,1087 12.926,1088 10.957,1089 21.292,1090 9.392,1091 3.549,1092 -1,1093 18.868,1094 -3,1095 11.842,1096 14.407,1097 12.074,1098 23.858,1099 10.37,1100 3.306,1101 13.874,1102 20.866,1103 -3,1104 13.095,1105 16,1106 13.555,1107 26.474,1108 11.493,1109 2.485,1110 11.685,1111 22.871,1112 4.891,1113 14.322,1114 17.538,1115 14.758,1116 29.069,1117 12.528,1118 1.971,1119 7.861,1120 24.881,1121 3.859,1122 15.568,1123 19.121,1124 16.184,1125 31.683,1126 13.627,1127 1.525,1128 5.333,1129 26.894,1130 3.272,1131 16.808,1132 20.685,1133 17.441,1134 34.292,1135 14.688,1136 1.33,1137 4.306,1138 28.911,1139 2.899,1140 18.055,1141 22.266,1142 18.834,1143 36.908,1144 15.778,1145 1.049,1146 3.304,1147 30.931,1148 2.019,1149 19.3,1150 23.842,1151 20.124,1152 39.524,1153 16.852,1154 3294,1155 7775,1156 12.712,1157 20.04,1158 33.014,1159 33.321,1160 33.34,1161 32.847,1162 32.431,1163 43.868,1164 13.551,1165 102.184,1166 28.692,1167 5.758,1168 7.36,1169 7.521,1170 5.531,1171 5.549,1172 7.891,1173 6.775,1174 22.133,1175 5.008,1176 12.647,1177 1.572,1178 1.587,1179 1.588,1180 1.564,1181 1.544,1182 2.089,1183 0.645,1184 4.866,1185 1.366,1186 4.121,1187 4.093,1188 4.759,1189 4.133,1190 8.513,1191 4.038,1192 3.833,1193 3.862,1194 3.925,1195 3.747,1196 7.999,1197 3.749,1198 3.567,1199 3.545,1200 3.666,1201 3.48,1202 7.999,1203 3.418,1204 3.174,1205 3.194,1206 3.503,1207 2.894,1208 7.715,1209 2.924,1210 2.854,1211 2.925,1212 3.029,1213 2.735,1214 6.999,1215 2.715,1216 2.788,1217 2.846,1218 2.687,1219 2.568,1220 4.946,1221 2.593,1222 2.622,1223 2.676,1224 2.506,1225 2.463,1226 4.712,1227 2.458,1228 2.312,1229 2.344,1230 2.377,1231 2.051,1232 4.417,1233 2.08,1234 0.238,1235 0.255,1236 0.368,1237 0.21,1238 0.169,1239 4.995,1240 0.233,1241 5.36,1242 0.182,1243 7.719,1244 0.661,1245 4.406,1246 0.143,1247 3.549,1248 4.891,1249 3.825,1250 13.874,1251 3.008,1252 2,1253 2.019,1254 2,1255 2.054,1256 1.212,1257 2.091,1258 1.8,1259 1.774,1260 1.853,1261 1.911,1262 0.965,1263 1.907,1264 1.388,1265 1.424,1266 1.181,1267 1.542,1268 0.574,1269 1.554,1270 0.905,1271 0.891,1272 1.167,1273 1.245,1274 0.218,1275 1.156,1276 0.886,1277 0.821,1278 0.981,1279 1.062,1280 0.084,1281 1.107,1282 0.701,1283 0.632,1284 0.914,1285 0.937,1287 0.958,1288 0.569,1289 0.53,1290 0.608,1291 0.81,1293 0.841,1294 0.137,1295 0.103,1296 0.381,1297 0.431,1299 0.418,1300 3.761,1302 5.142,1304 6.72,1306 8.381,1308 10.083,1311 5.628,1312 37.413,1322 -4.633,1326 20.25,1327 58.956,1328 86.466,1329 99.362,1330 110.872,1331 113.627,1332 113.627,1333 60.135,1334 6.174,1335 47.03,1336 55.41,1337 12,1338 12.313,1339 3.907,1340 3.17,1341 36.316,1342 56,1343 52,1344 0.331,1345 131.373,1346 234.31,1347 312.309,1348 2883,1349 14.8,1350 14.966,1351 0.748,1352 0.565,1353 13.216,1354 11.298,1355 9.226,1356 0.439,1357 0.339,1358 5.297,1359 7.712,1360 5.086,1361 4.158,1362 9.092,1363 7.117,1364 9.616,1365 0.301,1366 0.191,1367 9.329,1368 6.097,1369 7.007,1370 0.18,1371 0.117,1372 7.768,1373 4.57,1374 5.437,1375 0.118,1376 0.07,1377 6.781,1378 3.206,1379 3.946,1380 0.074,1381 0.038,1382 4.461,1383 2.02,1384 0.498,1385 70.123,1386 0.28,1387 19.52,1388 0.973,1389 106,1390 574.513,1391 184.454,1392 520.902,1393 652.26,1394 472,1395 124,1396 393.081,1397 203.725,1398 424.794,1399 641.3,1400 395,1401 4.799}
{0 CHEMBL1503659,1 1.747,2 11.654,3 4.238,4 17.959,5 94.053,6 8.098,7 0.429,8 3.916,9 4.04,10 3.533,11 3.41,12 5.083,13 3.417,14 4.493,15 4.669,16 3.979,17 3.793,18 6.092,19 3.786,20 4.752,21 4.974,22 3.974,23 3.94,24 6.175,25 3.878,26 4.774,27 5.039,28 3.752,29 3.882,30 5.796,31 3.79,32 4.665,33 4.929,34 3.76,35 3.74,36 5.842,37 3.692,38 4.47,39 4.699,40 3.655,41 3.552,42 5.794,43 3.544,44 4.272,45 4.485,46 3.541,47 3.396,48 5.64,49 3.401,50 4.213,51 4.418,52 3.494,53 3.361,54 5.688,55 3.341,56 0.151,57 0.894,58 7.914,59 4.158,60 25.537,61 4.945,62 0.874,63 1.699,64 17.777,65 6.851,66 144.61,67 8.669,68 0.997,69 1.44,70 25.205,71 8.38,72 146.942,73 12.076,74 0.649,75 1.377,76 27.808,77 8.789,78 81.483,79 12.822,80 0.63,81 1.332,82 25.204,83 7.393,84 64.426,85 10.589,86 0.63,87 1.265,88 20.043,89 6.219,90 82.283,91 7.497,92 0.49,93 1.086,94 15.682,95 5.003,96 58.343,97 6.041,98 0.569,99 1.022,100 14.655,101 5.068,102 63.965,103 6.178,104 29,105 40,106 0.304,107 0.627,108 0.78,109 0.84,110 0.84,111 0.84,112 3.303,113 0.9,114 -5.01,115 -4.91,116 -4.6,120 40,121 1,122 2,123 1,126 2,133 1,143 6,144 1,145 1,147 1,148 1,159 1,167 1,174 8,176 1,177 6,180 1,182 2,185 8,188 1,189 7,194 2,197 5,201 8,206 1,209 5,214 8,217 1,219 1,222 5,227 6,230 1,232 1,235 3,239 1,240 3,247 3,251 1,252 2,255 1,260 5,271 5,274 1020,275 16.919,276 16.919,277 16.919,278 16.919,279 16.919,280 15.443,281 17.849,282 9.78,283 17.385,284 13.799,285 13.799,286 13.799,287 13.799,288 13.799,289 11.515,290 24.125,291 4.65,292 14.621,293 3.745,294 1.884,295 1,296 0.656,297 0.656,298 0.656,299 3.981,306 1,307 1,308 636,309 3.606,313 274.327,320 1.988,321 39.974,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59.5,333 303,334 4.398,335 4.575,336 7.058,337 4.15,338 3.293,339 3.957,340 3.943,341 11.369,342 2.895,343 4.286,344 3.132,345 6.213,346 3.914,347 2.95,348 3.577,349 1.5,350 9.299,351 2.798,352 4.024,353 3.11,354 6.095,355 3.74,356 2.789,357 3.441,358 0.8,359 8.92,360 2.639,361 3.669,362 2.854,363 5.345,364 3.358,365 2.387,366 2.979,367 0.095,368 6.959,369 2.319,370 3.369,371 2.408,372 5.045,373 3.231,374 2.26,375 2.43,377 6.098,378 2.174,379 3.014,380 2.286,381 4.508,382 2.648,383 1.69,384 2.152,386 4.597,387 1.607,388 2.76,389 1.75,390 4.273,391 2.375,392 1.419,393 1.775,395 3.818,396 1.33,397 2.641,398 1.386,399 4.091,400 2.183,401 1.205,402 1.629,404 3.286,405 1.148,406 2.5,407 1.079,408 3.478,409 2.042,410 1.058,411 1.5,413 2.501,414 1.039,415 2.476,416 1.077,417 3.414,418 1.984,419 1,420 1.469,422 2.275,423 0.983,424 2,425 1,426 3.414,427 1.983,428 1,429 1,431 2.275,432 0.982,433 1.188,434 0.51,435 2.85,436 0.909,437 -0.076,438 -0.083,440 -0.17,441 -0.074,442 1.109,443 0.51,444 2.668,445 0.781,446 -0.218,447 -0.283,449 -0.554,450 -0.215,451 0.748,452 0.493,453 2.307,454 0.507,455 -0.482,456 -0.586,458 -1.17,459 -0.476,460 0.52,461 -0.016,462 2,463 0.089,464 -0.901,465 -1,467 -2.212,468 -0.7,469 11.79,470 0.453,471 0.846,472 0.033,473 31.25,474 1.202,475 14.5,476 0.558,477 16.75,478 0.644,479 21.323,480 0.82,481 29.61,482 0.658,483 24.735,484 0.951,485 6.078,486 0.234,487 6.247,488 0.24,489 0.143,490 0.042,491 0.288,493 3,496 0.552,497 1.06,498 0.664,499 1.141,500 0.554,501 1.001,502 0.411,503 0.851,504 0.705,505 1.058,506 0.345,507 1.013,508 0.328,509 0.672,510 0.801,511 0.983,512 0.268,513 1.054,514 0.567,515 0.778,516 0.855,517 0.973,518 0.474,519 1.004,520 0.685,521 0.79,522 0.775,523 0.831,524 0.576,525 0.821,526 1.222,527 1.144,528 1.073,529 0.998,530 1.161,531 0.97,532 1.148,533 1.181,534 1.02,535 1.027,536 1.067,537 0.975,538 0.94,539 0.959,540 1.021,541 1.089,542 1.001,543 1.102,544 7,545 0.144,546 3.556,547 1.25,548 1.107,549 0.896,550 0.728,551 0.424,552 0.238,553 0.172,554 8206,555 27169,556 2.005,557 42.2,558 4,559 10,562 1,564 4,567 1.686,568 1.846,569 3.5,570 -0.256,572 1,575 78.609,576 1.747,577 3.608,578 4.491,579 4.836,580 4.836,581 4.836,582 2.988,583 3.921,584 4.67,585 3.684,586 1197.39,587 8.068,588 15338.1,590 1,592 1,593 247.133,594 1.648,595 4.606,596 0.25,597 0.01,598 0.089,599 0.032,600 0.035,601 0.028,602 0.026,603 0.017,604 0.01,605 0.009,606 0.505,607 0.5,608 1,609 1.181,610 129.068,611 -0.009,612 -0.072,613 0.032,614 -0.042,615 -0.056,616 -0.005,617 0.389,618 0.175,619 0.138,620 -0.024,621 0.417,622 -0.04,623 0.304,624 0.095,625 0.075,626 -0.021,627 0.32,628 -0.058,629 -0.004,630 -0.08,631 0.064,632 -0.026,633 0.021,634 0.032,635 -0.022,636 -0.082,637 0.174,638 0.078,639 0.029,640 0.178,641 -0.185,642 -0.109,643 -0.09,644 -0.037,645 -0.139,646 -0.021,647 -0.146,648 -0.16,649 -0.067,650 -0.066,651 -0.082,652 -0.037,653 0.091,654 0.104,655 -0.074,656 -0.092,657 0.036,658 -0.148,659 6.177,660 4.365,661 0.692,662 26.651,663 1.027,664 1.155,665 3.778,666 14.27,667 0.648,668 3.367,669 3.714,670 3.892,671 4.043,672 4.304,673 4.331,674 4.466,675 4.533,676 4.625,677 4.691,678 6.861,679 0.638,680 364.41,681 3.367,682 4.92,683 5.746,684 6.616,685 7.461,686 8.329,687 9.181,688 10.047,689 10.903,690 11.769,691 8.9,697 1,698 1,701 2,709 6,710 2,714 4,716 12,732 1,738 45,739 13,740 1,741 28,743 47,744 18,745 10,746 2,747 4,752 3,753 3,759 2,763 2,764 1,765 1,766 2,768 11,769 7,770 1,772 1,778 1,782 1,786 1,787 3,789 19,790 8,791 1,792 8,797 4,803 1,804 1,815 1,823 3,838 1,855 3,859 1,861 3,862 26,869 4,871 1,874 1,875 1,876 1,885 3,886 2.2,889 1,893 14.083,894 8.279,895 5.556,896 2.789,898 2.374,899 1.331,900 0.966,901 5.359,902 9.539,903 3.584,904 4.127,905 4.6,906 5.072,907 5.631,908 5.853,909 6.291,910 6.626,911 6.93,912 7.217,913 0.875,914 39,915 10.394,917 5.193,918 8.285,919 17.782,921 14.591,924 2.785,925 72.417,928 1,929 211.88,930 98.454,931 54.461,933 25.145,934 44.88,936 98.454,937 237.025,938 99.341,939 8.825,940 27.291,941 56.857,942 63.176,943 56.704,944 2.328,945 211.88,946 7.76,947 211.88,948 152.915,949 70.025,952 164.795,953 117.11,956 46.633,957 72.957,958 33.326,960 256.76,961 79.606,962 98.454,965 219.639,966 25.012,967 68.807,968 18.011,969 103.351,970 211.88,971 124.486,972 98.454,973 0.596,974 0.328,975 0.149,976 0.087,977 19,978 9,979 0.064,980 3,982 1,983 3.781,984 209.525,986 18,987 113.457,993 18.504,994 7.53,995 4.674,997 124.486,998 9.739,999 8.428,1003 1.96,1005 18.011,1006 434.82,1007 35,1013 11.055,1017 -2.004,1020 46.225,1021 51.959,1022 0.318,1023 0.657,1024 0.818,1025 0.881,1026 0.881,1027 0.881,1028 4.844,1029 1.205,1030 5.778,1031 3.818,1032 4.394,1033 4.812,1034 3.327,1035 6.594,1036 4.285,1037 6.051,1038 1.058,1039 7.358,1040 3.286,1041 4.205,1042 4.635,1043 3.987,1044 7.735,1045 3.92,1046 7.361,1047 1,1048 9.049,1049 2.501,1050 6.061,1051 6.901,1052 5.588,1053 10.678,1054 5.806,1055 8.701,1056 1,1057 10.805,1058 2.275,1059 6.635,1060 7.451,1061 6.838,1062 12.598,1063 6.184,1064 10.072,1065 -0.076,1066 12.604,1067 2.275,1068 8.041,1069 9.272,1070 8.247,1071 15.145,1072 7.591,1073 11.462,1074 -0.218,1075 14.433,1076 -0.17,1077 8.936,1078 10.159,1079 9.6,1080 17.356,1081 8.304,1082 12.868,1083 -0.482,1084 16.283,1085 -0.554,1086 10.178,1087 11.777,1088 10.978,1089 19.791,1090 9.506,1091 3.293,1092 -0.901,1093 18.151,1094 -1.17,1095 11.218,1096 12.846,1097 12.347,1098 22.118,1099 10.381,1100 2.95,1101 11.369,1102 20.031,1103 -2.212,1104 12.401,1105 14.353,1106 13.72,1107 24.527,1108 11.49,1109 2.789,1110 9.299,1111 21.922,1112 3.957,1113 13.506,1114 15.53,1115 15.092,1116 26.904,1117 12.446,1118 2.387,1119 8.92,1120 23.822,1121 3.577,1122 14.672,1123 16.974,1124 16.464,1125 29.312,1126 13.515,1127 2.26,1128 6.959,1129 25.729,1130 3.441,1131 15.81,1132 18.219,1133 17.836,1134 31.711,1135 14.511,1136 1.69,1137 6.098,1138 27.643,1139 2.979,1140 16.973,1141 19.627,1142 19.208,1143 34.124,1144 15.563,1145 1.419,1146 4.597,1147 29.561,1148 2.43,1149 18.128,1150 20.914,1151 20.58,1152 36.536,1153 16.581,1154 8072,1155 15105,1156 18.087,1157 29.142,1158 42.773,1159 42.733,1160 43.01,1161 42.312,1162 42.104,1163 51.818,1164 12.676,1165 122.796,1166 39.825,1167 5.398,1168 6.575,1169 6.606,1170 5.193,1171 5.293,1172 6.957,1173 5.621,1174 18.211,1175 4.895,1176 15.057,1177 1.528,1178 1.526,1179 1.536,1180 1.511,1181 1.504,1182 1.851,1183 0.453,1184 4.386,1185 1.422,1186 4.008,1187 4.05,1188 3.96,1189 3.912,1190 8.516,1191 3.917,1192 3.868,1193 3.92,1194 3.781,1195 3.74,1196 7.999,1197 3.738,1198 3.7,1199 3.749,1200 3.652,1201 3.552,1202 7.999,1203 3.559,1204 3.576,1205 3.606,1206 3.545,1207 3.278,1208 7.42,1209 3.35,1210 3.218,1211 3.309,1212 3.064,1213 3.02,1214 5.043,1215 3.017,1216 3.111,1217 3.206,1218 2.911,1219 2.941,1220 4.693,1221 2.91,1222 2.978,1223 3.049,1224 2.866,1225 2.772,1226 4.313,1227 2.769,1228 2.88,1229 2.945,1230 2.731,1231 2.739,1232 3.924,1233 2.741,1234 0.157,1235 0.163,1236 0.252,1237 0.148,1238 0.118,1239 4.398,1240 0.141,1241 4.575,1242 0.141,1243 7.058,1244 0.406,1245 4.15,1246 0.103,1247 3.293,1248 3.957,1249 3.943,1250 11.369,1251 2.895,1252 1.952,1253 1.922,1254 2.08,1255 2.08,1256 1.43,1257 2.078,1258 1.856,1259 1.801,1260 2.024,1261 2.002,1262 1.129,1263 2.012,1264 1.648,1265 1.603,1266 1.775,1267 1.824,1268 0.857,1269 1.807,1270 1.364,1271 1.343,1272 1.555,1273 1.687,1274 0.825,1275 1.608,1276 1.213,1277 1.125,1278 1.513,1279 1.46,1280 0.696,1281 1.494,1282 1.153,1283 1.064,1284 1.412,1285 1.376,1286 0.354,1287 1.429,1288 0.9,1289 0.845,1290 1.149,1291 1.162,1292 0.301,1293 1.117,1294 0.865,1295 0.809,1296 1.083,1297 1.067,1298 0.194,1299 1.099,1300 4.043,1302 5.38,1304 6.901,1306 8.493,1308 10.119,1310 2.233,1312 37.094,1315 4.108,1317 1.839,1320 0.716,1321 2.177,1322 -4.927,1326 28.692,1327 78.609,1328 162.339,1329 202.114,1330 217.624,1331 217.624,1332 217.624,1333 54.476,1334 7.165,1335 58.12,1336 58.12,1337 18,1338 12.317,1339 3.807,1340 3,1341 44.588,1342 107,1343 108,1344 0.204,1345 175.529,1346 313.6,1347 420.05,1348 12138,1349 6.7,1350 18.734,1351 0.721,1352 0.548,1353 16.234,1354 14.254,1355 12.326,1356 0.44,1357 0.3,1358 8.237,1359 11.676,1360 8.1,1361 6.693,1362 11.114,1363 8.4,1364 11.99,1365 0.3,1366 0.162,1367 10.117,1368 6.479,1369 9.199,1370 0.192,1371 0.092,1372 7.838,1373 4.432,1374 6.673,1375 0.119,1376 0.051,1377 6.487,1378 2.844,1379 5.67,1380 0.078,1381 0.029,1382 5.277,1383 2.086,1384 0.326,1385 78.672,1386 0.235,1387 25.441,1388 0.544,1389 136,1390 589.337,1391 163.197,1392 487.84,1393 631.26,1394 450,1395 156,1396 442.169,1397 178.776,1398 426.094,1399 638.43,1400 399,1401 6.796}
{0 CHEMBL1504204,1 1.656,2 7.316,3 2.886,4 8.331,5 77.476,6 8.041,7 0.714,8 3.639,9 3.749,10 3.342,11 3.24,12 4.721,13 3.188,14 4.149,15 4.325,16 3.755,17 3.606,18 5.18,19 3.536,20 4.226,21 4.398,22 3.657,23 3.635,24 5.228,25 3.536,26 4.276,27 4.459,28 3.621,29 3.63,30 5.247,31 3.505,32 4.326,33 4.58,34 3.35,35 3.543,36 5.217,37 3.402,38 4.188,39 4.409,40 3.255,41 3.469,42 5.076,43 3.331,44 4.128,45 4.361,46 3.281,47 3.367,48 5.036,49 3.231,50 4.121,51 4.404,52 2.98,53 3.228,54 4.916,55 3.028,56 0.01,57 0.516,58 6.947,59 3.231,60 5.617,61 3.921,62 0.136,63 0.84,64 14.632,65 5.52,66 14.732,67 6.807,68 0.222,69 0.909,70 17.718,71 5.979,72 17.453,73 6.847,74 0.122,75 0.973,76 18.509,77 6.345,78 14.404,79 7.901,80 0.287,81 0.95,82 21.489,83 6.395,84 24.489,85 8.066,86 0.121,87 0.799,88 16.132,89 5.873,90 14.306,91 7.486,92 0.148,93 0.691,94 15.37,95 5.925,96 17.077,97 7.674,98 0.211,99 0.649,100 18.132,101 6.242,102 21.49,103 7.76,104 10,105 30,106 0.304,107 0.656,108 0.759,109 0.847,110 0.847,111 0.847,112 3.011,113 0.996,114 -3.6,115 -3.57,116 -3.4,120 41.2,121 3,126 1,143 2,144 2,148 1,150 1,152 1,153 2,162 1,174 3,176 1,177 7,180 1,182 1,185 5,189 2,192 1,194 2,197 3,201 4,204 1,206 4,209 2,213 1,214 3,219 1,222 2,227 2,235 4,239 1,240 4,247 4,252 2,260 4,271 1,274 429,275 12.723,276 12.723,277 12.723,278 12.723,279 12.723,280 10.822,281 15.42,282 7.429,283 13.107,284 10.362,285 10.362,286 10.362,287 10.362,288 10.362,289 7.529,290 23.233,291 3.546,292 11.003,293 3.431,294 1.517,295 0.957,296 0.478,297 0.478,298 0.478,299 3.684,305 1,306 1,307 1,308 300,309 2.345,312 85.286,313 46.415,316 70.287,320 1.036,321 11.871,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 40.5,333 139,334 4.699,335 3.354,336 6.882,337 4.202,338 3.257,339 4.676,340 0.657,341 11.449,342 3.081,343 3.929,344 2.801,345 5.657,346 3.546,347 2.563,348 3.482,350 7.395,351 2.529,352 3.822,353 2.631,354 5.36,355 3.378,356 2.439,357 3.309,359 6.966,360 2.276,361 3.479,362 2.269,363 5.2,364 3.007,365 2.096,366 2.856,368 6.275,369 1.904,370 3.204,371 1.947,372 4.947,373 2.726,374 1.802,375 2.47,377 5.391,378 1.644,379 2.709,380 1.618,381 4.286,382 2.326,383 1.381,384 1.774,386 3.605,387 1.299,388 2.53,389 1.377,390 3.517,391 2.104,392 1.167,393 1.54,395 2.703,396 1.07,397 2.118,398 0.688,399 3.056,400 1.618,401 0.618,402 0.927,404 1.372,405 0.618,406 1.719,407 0.618,408 3,409 1.415,410 0.477,411 0.574,413 1.141,414 0.446,415 1.073,416 0.15,417 2.66,418 0.774,419 -0.181,420 -0.215,422 -0.448,423 -0.17,424 1.055,425 -0.106,426 2.559,427 0.579,428 -0.307,429 -0.402,431 -0.825,432 -0.271,433 0.596,434 -0.335,435 2.343,436 0.296,437 -0.645,438 -0.756,440 -1.7,441 -0.602,442 0.239,443 -0.781,444 2,445 -0.138,446 -1.069,447 -1.332,449 -2.768,450 -0.965,451 0.045,452 -0.916,453 1.748,454 -0.231,455 -1.205,456 -1.445,458 -2.83,459 -1.166,460 -0.118,461 -1.257,462 1.282,463 -0.472,464 -1.44,465 -1.89,467 -4.181,468 -1.398,469 9.367,470 0.493,471 0.524,472 0.028,473 25,474 1.316,475 12.5,476 0.658,477 12.5,478 0.658,479 15.366,480 0.809,481 20.033,482 0.589,483 14.001,484 0.737,485 4.816,486 0.253,487 4.332,488 0.228,489 0.16,491 0.374,496 0.904,497 1.235,498 0.73,499 0.938,500 0.92,501 0.901,502 0.904,503 0.948,504 0.688,505 0.795,506 0.709,507 0.716,508 1.426,509 1.139,510 1.284,511 1.053,512 1.403,513 0.985,514 0.834,515 1.559,516 1.254,517 1.442,518 0.867,519 1.326,520 1.144,521 0.802,522 1.241,523 0.93,524 1.214,525 0.933,526 1.017,527 1.025,528 1.084,529 1.094,530 1.049,531 1.159,532 0.701,533 0.903,534 0.691,535 0.973,536 0.728,537 1.009,538 1.315,539 0.642,540 0.854,541 0.708,542 1.065,543 0.767,544 4,546 2,547 1.889,548 1.049,549 0.591,550 0.287,551 0.233,552 0.121,553 0.025,554 3171,555 8396,556 2.081,557 44.1,558 3,559 4,560 1,562 1,563 6,567 1.606,568 1.932,569 2.862,570 -0.249,572 1,574 1,575 56.313,576 1.656,577 3.571,578 4.131,579 4.609,580 4.609,581 4.609,582 2.187,583 3.642,584 4.221,585 3.009,586 514.583,587 7.202,588 5034.07,589 1,590 1,591 1,592 1,593 172.974,594 1.462,595 4.171,596 0.19,598 0.067,599 0.07,600 0.044,601 0.03,602 0.016,603 0.014,604 0.01,605 0.012,606 0.452,607 0.67,608 1,609 0.644,610 81.308,611 -0.038,612 -0.139,613 0.076,614 -0.002,615 -0.092,616 0.011,617 0.137,618 0.104,619 0.269,620 0.182,621 0.255,622 0.224,623 -0.195,624 -0.029,625 -0.186,626 -0.013,627 -0.275,628 -0.072,629 -0.001,630 -0.488,631 -0.204,632 -0.415,633 -0.02,634 -0.384,635 -0.164,636 0.252,637 -0.206,638 0.027,639 -0.172,640 0.004,641 -0.143,642 -0.051,643 -0.204,644 -0.176,645 -0.124,646 -0.204,647 0.251,648 -0.044,649 0.156,650 -0.056,651 0.221,652 -0.009,653 -0.106,654 0.162,655 0.166,656 0.285,657 0.046,658 0.268,659 0.879,660 1.83,661 0.737,662 11.994,663 1,664 1.121,665 2.37,666 5.617,667 0.697,668 3.091,669 3.434,670 3.714,671 4.007,672 4.111,673 4.19,674 4.234,675 4.263,676 4.19,677 4.043,678 4.638,679 0.651,680 273.39,681 3.091,682 4.635,683 5.493,684 6.385,685 7.263,686 8.163,687 9.049,688 9.952,689 10.844,690 11.748,691 8.8,696 1,701 2,708 2,709 3,710 2,712 1,713 1,714 5,716 15,729 1,738 34,739 15,741 21,743 36,744 14,745 10,752 3,753 4,759 3,768 10,769 4,785 1,786 1,788 1,789 15,790 4,791 1,792 5,793 1,797 3,803 0.667,804 1,817 1,822 2,823 1,826 1,855 2,857 1,859 3,862 19,869 1,871 1,880 1,886 2.9,891 1,893 9.833,894 7.233,895 4.111,896 1.999,898 2.786,899 1.425,900 1.004,901 3.272,902 9.344,903 3.384,904 4.069,905 4.707,906 5.355,907 5.745,908 6.084,909 6.415,910 6.753,911 6.782,912 6.816,913 0.8,914 27,915 6.985,917 2.896,918 7.553,919 13.542,921 10.955,924 2.053,925 39,926 0.001,929 164.795,930 108.09,931 51.582,933 9.507,935 31.278,936 76.812,937 174.303,938 51.582,939 26.476,940 2.106,941 30.692,942 51.899,943 17.594,944 20.906,945 184.302,947 164.795,948 128.394,949 9.507,950 31.278,952 167.123,953 9.507,956 28.898,957 45.586,958 51.582,959 31.278,960 164.795,961 61.089,962 108.09,965 164.795,966 50.922,967 57.168,968 18.011,969 43.078,970 164.795,971 61.089,972 108.09,973 0.588,974 0.346,975 0.192,976 0.094,977 16,978 7,979 0.083,980 3,981 1,982 1.143,983 3.143,984 142.427,985 0.143,986 14,987 80.711,989 1,993 12.61,994 4.93,995 2.369,996 2.17,997 61.089,998 5.514,999 9.025,1001 5.33,1002 1.716,1003 5.114,1005 18.011,1006 333.974,1007 28.5,1020 34.011,1021 38.116,1022 0.326,1023 0.702,1024 0.812,1025 0.906,1026 0.906,1027 0.906,1028 4.613,1029 0.618,1030 5.493,1031 2.703,1032 4.111,1033 4.754,1034 0.623,1035 6.326,1036 3.995,1037 5.854,1038 0.477,1039 7.066,1040 1.372,1041 3.761,1042 4.691,1044 7.261,1045 3.603,1046 7.185,1047 -0.181,1048 8.739,1049 1.141,1050 5.72,1051 7.072,1052 0.317,1053 10.4,1054 5.502,1055 8.556,1056 -0.307,1057 10.471,1058 -0.448,1059 6.196,1060 7.874,1062 12.217,1063 5.939,1064 9.961,1065 -0.645,1066 12.244,1067 -0.825,1068 7.639,1069 9.716,1070 0.149,1071 14.89,1072 7.324,1073 11.391,1074 -1.069,1075 14.046,1076 -1.7,1077 8.497,1078 10.925,1080 17.084,1081 8.137,1082 12.841,1083 -1.205,1084 15.871,1085 -2.768,1086 9.753,1087 12.568,1088 0.067,1089 19.604,1090 9.336,1091 3.257,1092 -1.44,1093 17.715,1094 -2.83,1095 10.787,1096 13.965,1098 21.951,1099 10.318,1100 2.563,1101 11.449,1102 19.575,1103 -4.181,1104 11.98,1105 15.537,1106 0.03,1107 24.417,1108 11.454,1109 2.439,1110 7.395,1111 21.447,1112 4.676,1113 13.093,1114 17.016,1116 26.821,1117 12.511,1118 2.096,1119 6.966,1120 23.331,1121 3.482,1122 14.268,1123 18.565,1124 0.013,1125 29.269,1126 13.629,1127 1.802,1128 6.275,1129 25.223,1130 3.309,1131 15.416,1132 20.08,1134 31.695,1135 14.719,1136 1.381,1137 5.391,1138 27.122,1139 2.856,1140 16.589,1141 21.622,1142 0.006,1143 34.136,1144 15.834,1145 1.167,1146 3.605,1147 29.028,1148 2.47,1149 17.753,1150 23.152,1152 36.569,1153 16.94,1154 3104,1155 5167,1156 13.929,1157 23.688,1158 31.988,1159 31.588,1160 32.38,1161 31.674,1162 31.602,1163 43.215,1164 1.315,1165 92.593,1166 29.731,1167 5.538,1168 5.354,1169 6.511,1170 5.322,1171 5.257,1172 7.676,1173 1.315,1174 18.562,1175 5.007,1176 8.784,1177 1.523,1178 1.504,1179 1.542,1180 1.508,1181 1.505,1182 2.058,1183 0.063,1184 4.409,1185 1.416,1186 4.084,1187 4.104,1188 4.334,1189 4.069,1190 5.089,1191 4.023,1192 3.888,1193 3.899,1194 3.843,1195 3.735,1196 5.01,1197 3.753,1198 3.511,1199 3.574,1200 3.531,1201 3.361,1202 4.383,1203 3.359,1204 3.265,1205 3.353,1206 3.182,1207 3.066,1208 4.159,1209 3.057,1210 3.085,1211 3.192,1212 2.971,1213 2.909,1214 3.756,1215 2.861,1216 3.003,1217 3.094,1218 2.805,1219 2.852,1220 3.727,1221 2.807,1222 2.683,1223 2.747,1224 2.599,1225 2.562,1226 3.621,1227 2.517,1228 2.422,1229 2.507,1230 2.24,1231 2.165,1232 3.562,1233 2.156,1234 0.224,1235 0.16,1236 0.328,1237 0.2,1238 0.155,1239 4.699,1240 0.223,1241 3.354,1242 0.031,1243 6.882,1244 0.545,1245 4.202,1246 0.147,1247 3.257,1248 4.676,1249 0.657,1250 11.449,1251 3.081,1252 1.853,1253 1.82,1254 1.934,1255 2.004,1256 1.094,1257 1.984,1258 1.603,1259 1.578,1260 1.764,1261 1.729,1262 0.934,1263 1.758,1264 1.554,1265 1.516,1266 1.723,1267 1.71,1268 0.857,1269 1.722,1270 1.368,1271 1.339,1272 1.581,1273 1.586,1274 0.676,1275 1.584,1276 1.252,1277 1.187,1278 1.553,1279 1.439,1280 0.593,1281 1.497,1282 1.041,1283 0.939,1284 1.371,1285 1.317,1286 0.49,1287 1.351,1288 0.855,1289 0.796,1290 1.066,1291 1.14,1292 0.082,1293 1.138,1294 0.568,1295 0.495,1296 0.693,1297 0.756,1298 0.005,1299 0.815,1300 3.761,1302 5.094,1303 3.045,1304 6.605,1305 5.352,1306 8.209,1307 7.402,1308 9.87,1310 6.153,1315 0.632,1317 3.347,1326 22.127,1327 56.313,1328 121.41,1329 140.444,1330 156.709,1331 156.709,1332 156.709,1333 20.289,1334 6.558,1335 50.95,1336 79.19,1337 16,1338 12.27,1339 4,1340 3.087,1341 27.726,1342 51,1343 49,1344 0.267,1345 140.829,1346 225.44,1347 335.382,1348 5222,1350 13.405,1351 0.706,1352 0.63,1353 13.759,1354 11.967,1355 9.148,1356 0.436,1357 0.332,1358 6.146,1359 8.34,1360 5.795,1361 4.848,1362 9.556,1363 6.971,1364 8.474,1365 0.282,1366 0.191,1367 9.176,1368 5.719,1369 7.099,1370 0.177,1371 0.106,1372 7.841,1373 4.252,1374 6.072,1375 0.112,1376 0.058,1377 6.969,1378 3.143,1379 4.264,1380 0.071,1381 0.032,1382 4.975,1383 1.925,1384 0.404,1385 61.149,1386 0.268,1387 18.748,1388 0.778,1389 102,1390 288.219,1391 137.661,1392 300.186,1393 422.57,1394 284,1395 121,1396 308.43,1397 152.086,1398 327.112,1399 479.72,1400 308,1401 5.914}
{0 CHEMBL1504855,1 1.717,2 9.286,3 3.256,4 10.604,5 107.849,6 8.606,7 0.548,8 3.957,9 4.07,10 3.643,11 3.509,12 5.153,13 3.509,14 4.45,15 4.599,16 4.046,17 3.896,18 5.658,19 3.883,20 4.649,21 4.805,22 4.129,23 4.041,24 5.787,25 4.012,26 4.786,27 4.974,28 4.194,29 4.08,30 5.969,31 4.05,32 4.858,33 5.066,34 4.193,35 4.066,36 6.092,37 4.045,38 4.8,39 5.004,40 4.099,41 4.039,42 5.985,43 3.995,44 4.735,45 4.957,46 3.966,47 3.96,48 5.859,49 3.885,50 4.617,51 4.808,52 3.801,53 3.9,54 5.751,55 3.792,56 0.107,57 0.706,58 7.368,59 3.711,60 10.27,61 4.406,62 0.32,63 1.101,64 14.895,65 6.439,66 30.982,67 7.863,68 0.34,69 1.312,70 20.277,71 7.667,72 36.814,73 9.215,74 0.476,75 1.499,76 23.689,77 8.431,78 44.249,79 10.754,80 0.734,81 1.555,82 28.453,83 8.233,84 73.239,85 10.35,86 0.552,87 1.457,88 24.531,89 8.479,90 56.637,91 10.833,92 0.607,93 1.276,94 25.391,95 9.035,96 54.067,97 12.055,98 0.403,99 1.094,100 23.314,101 8.603,102 40.845,103 10.43,104 30,105 45,106 0.291,107 0.67,108 0.799,109 0.887,110 0.895,111 0.895,112 3.376,113 0.87,114 -5.07,115 -4.97,116 -4.66,120 43.5,121 1,125 1,128 1,137 1,139 1,143 8,144 2,145 2,150 1,159 1,163 1,164 1,165 1,166 1,167 1,174 8,176 2,177 7,179 1,180 3,182 3,185 12,187 1,189 11,192 1,197 8,200 1,201 14,203 1,204 2,205 1,206 4,208 1,209 3,211 2,213 2,214 13,216 1,217 1,219 6,222 5,224 2,226 2,227 5,229 1,230 1,232 3,235 8,237 1,239 2,240 4,242 1,243 2,245 5,247 10,249 2,252 3,257 2,260 10,262 2,264 3,269 1,271 9,273 1,274 1222,275 18.817,276 18.817,277 18.817,278 18.817,279 18.817,280 16.354,281 23.043,282 10.872,283 19.322,284 15.255,285 15.255,286 15.255,287 15.255,288 15.255,289 11.477,290 31.918,291 5.082,292 16.051,293 3.807,294 1.574,295 0.815,296 0.294,297 0.25,298 0.25,299 4.068,303 1,306 1,307 1,308 558,309 3,312 56.442,313 232.455,316 106.547,320 1.378,321 29.29,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.833,333 260,334 4.642,335 3.782,336 7.078,337 4.314,338 3.35,339 4.24,340 1.152,341 12.231,342 3.237,343 4.285,344 3.29,345 6.306,346 3.878,347 2.911,348 3.86,349 0.98,350 9.575,351 2.807,352 4.038,353 3.029,354 5.991,355 3.615,356 2.64,357 3.601,358 0.86,359 8.307,360 2.578,361 3.945,362 2.892,363 5.774,364 3.48,365 2.532,366 3.488,367 0.657,368 7.934,369 2.386,370 3.51,371 2.694,372 5.282,373 3.142,374 2.206,375 2.803,377 6.574,378 2.055,379 3.404,380 2.583,381 5.02,382 3.02,383 2.112,384 2.646,386 5.945,387 1.876,388 3.168,389 2.296,390 4.786,391 2.769,392 1.79,393 2.252,395 4.965,396 1.719,397 2.836,398 1.815,399 4.427,400 2.422,401 1.456,402 1.943,404 3.932,405 1.394,406 2.769,407 1.459,408 4.162,409 2.262,410 1.316,411 1.867,413 3.474,414 1.202,415 2.621,416 1.26,417 3.768,418 2.148,419 1.162,420 1.666,422 2.64,423 1.143,424 2.516,425 1.055,426 3.48,427 2.001,428 1.03,429 1.52,431 2.488,432 0.998,433 1.98,434 0.995,435 3.47,436 1.618,437 0.643,438 0.822,440 1.86,441 0.623,442 1.583,443 0.936,444 3.01,445 1.293,446 0.427,447 0.48,449 0.622,450 0.366,451 1.124,452 0.281,453 2.688,454 0.759,455 -0.227,456 -0.281,458 -0.673,459 -0.22,460 0.943,461 0.207,462 2.604,463 0.567,464 -0.374,465 -0.42,467 -0.886,468 -0.256,469 13.381,470 0.478,471 0.784,472 0.028,473 38.5,474 1.375,475 20,476 0.714,477 18.5,478 0.661,479 22.703,480 0.811,481 29.219,482 0.635,483 30.546,484 1.091,485 7.835,486 0.28,487 5.639,488 0.201,489 0.183,491 0.404,496 0.782,497 1.171,498 0.603,499 0.902,500 0.735,501 0.82,502 0.793,503 0.999,504 0.626,505 0.825,506 0.521,507 0.789,508 1.097,509 1.276,510 0.987,511 1.066,512 1.016,513 1.017,514 0.915,515 1.25,516 0.827,517 1.011,518 0.931,519 0.983,520 1.227,521 0.996,522 0.882,523 0.807,524 1.296,525 0.844,526 0.994,527 1.05,528 0.82,529 0.971,530 1.086,531 1.005,532 0.678,533 0.863,534 0.714,535 0.904,536 0.683,537 0.938,538 1.237,539 1.023,540 1.245,541 1.176,542 1.095,543 1.24,544 6,545 0.091,546 2.889,547 2.507,548 2.205,549 1.32,550 0.964,551 0.562,552 0.329,553 0.183,554 8484,555 26707,556 2.072,557 39.1,559 12,562 3,564 3,567 1.719,568 1.909,569 3.171,570 0.953,571 1,572 1,575 78.977,576 1.717,577 3.95,578 4.708,579 5.23,580 5.273,581 5.273,582 2.66,583 4.664,584 4.776,585 3.335,586 1260.53,587 8.356,588 15867.2,590 1,592 1,593 254.084,594 1.497,595 4.723,596 0.194,597 0.006,598 0.064,599 0.052,600 0.044,601 0.027,602 0.022,603 0.015,604 0.011,605 0.009,606 0.444,607 0.17,608 1,609 0.887,610 136.877,611 -0.051,612 -0.008,613 0.017,614 0.009,615 -0.13,616 0.033,617 0.095,618 0.091,619 0.11,620 0.107,621 0.148,622 0.107,623 -0.171,624 -0.201,625 -0.133,626 -0.127,627 -0.165,628 -0.119,630 -0.173,631 -0.019,632 -0.104,633 0.003,634 -0.078,635 -0.11,636 0.082,637 -0.034,638 0.074,639 -0.059,640 0.044,641 -0.029,642 0.001,643 -0.041,644 -0.066,645 -0.05,646 -0.086,647 0.232,648 0.093,649 0.116,650 0.064,651 0.168,652 0.065,653 -0.219,654 -0.1,655 -0.228,656 -0.153,657 -0.133,658 -0.239,659 2.191,660 5.248,661 0.75,662 24.357,663 1.015,664 1.125,665 3.841,666 14.757,667 0.698,668 3.466,669 3.829,670 4.143,671 4.489,672 4.762,673 4.92,674 5.13,675 5.283,676 5.366,677 5.407,678 5.669,679 0.675,680 395.88,681 3.466,682 5.03,683 5.905,684 6.817,685 7.716,686 8.636,687 9.548,688 10.472,689 11.391,690 12.318,691 10.9,696 1,698 1,699 1,701 2,709 8,710 2,714 6,715 1,716 17,729 1,735 1,737 1,738 46,739 19,740 2,741 31,743 49,744 20,745 14,746 4,747 8,748 3,752 4,753 5,754 1,759 1,763 1,766 1,768 17,769 3,772 2,778 1,782 3,786 1,789 18,790 6,791 3,792 8,793 1,797 5,803 0.75,804 2,822 1,823 3,826 1,837 1,845 1,846 1,855 3,859 2,860 1,862 28,863 1,871 1,872 1,874 1,883 1,885 1,886 4.3,889 1,891 1,893 14.667,894 8.91,895 6.111,896 2.516,898 3.33,899 1.429,900 1.004,901 4.936,902 11.085,903 3.75,904 4.385,905 4.972,906 5.59,907 6.115,908 6.471,909 6.956,910 7.394,911 7.764,912 8.089,913 1,914 48,915 10.306,917 4.448,918 7.837,919 19.308,921 15.815,924 2.337,925 65.444,928 1,929 176.567,930 125.507,931 86.133,932 39.149,933 36.145,936 125.507,937 251.86,938 86.133,939 19.708,940 32.897,941 75.81,942 84.066,943 35.304,945 176.567,946 39.149,947 176.567,948 211.64,949 36.145,950 39.149,952 143.581,953 71.458,956 45.398,957 109.698,958 93.365,960 176.567,961 122.278,962 164.656,965 176.567,966 29.989,967 97.295,968 18.011,969 141.639,970 176.567,971 122.278,972 164.656,973 0.587,974 0.35,975 0.201,976 0.115,977 23,978 11,979 0.082,980 4,981 1,982 1.095,983 3.76,984 260.674,985 0.095,986 21,987 134.606,993 18.689,994 7.395,995 3.455,997 120.501,998 14.749,999 9.233,1003 3.877,1004 1.665,1005 50.908,1006 463.5,1007 41.5,1013 12.248,1017 0.532,1020 46.673,1021 51.761,1022 0.311,1023 0.715,1024 0.852,1025 0.947,1026 0.955,1027 0.955,1028 5.006,1029 1.456,1030 5.916,1031 4.965,1032 4.511,1033 5.072,1034 1.985,1035 6.786,1036 4.419,1037 6.239,1038 1.316,1039 7.509,1040 3.932,1041 4.205,1042 4.924,1043 0.747,1044 7.796,1045 4.053,1046 7.567,1047 1.162,1048 9.202,1049 3.474,1050 6.155,1051 7.277,1052 1.846,1053 10.947,1054 5.989,1055 8.929,1056 1.03,1057 10.954,1058 2.64,1059 6.648,1060 7.905,1061 1.051,1062 12.809,1063 6.435,1064 10.321,1065 0.643,1066 12.745,1067 2.488,1068 8.1,1069 9.745,1070 1.823,1071 15.502,1072 7.871,1073 11.734,1074 0.427,1075 14.564,1076 1.86,1077 8.962,1078 10.745,1079 1.287,1080 17.731,1081 8.692,1082 13.164,1083 -0.227,1084 16.404,1085 0.622,1086 10.229,1087 12.36,1088 1.875,1089 20.279,1090 9.938,1091 3.35,1092 -0.374,1093 18.262,1094 -0.673,1095 11.264,1096 13.551,1097 1.514,1098 22.665,1099 10.937,1100 2.911,1101 12.231,1102 20.134,1103 -0.886,1104 12.467,1105 15.06,1106 1.981,1107 25.171,1108 12.113,1109 2.64,1110 9.575,1111 22.017,1112 4.24,1113 13.584,1114 16.355,1115 1.747,1116 27.623,1117 13.195,1118 2.532,1119 8.307,1120 23.911,1121 3.86,1122 14.769,1123 17.814,1124 2.127,1125 30.12,1126 14.351,1127 2.206,1128 7.934,1129 25.813,1130 3.601,1131 15.926,1132 19.164,1133 1.988,1134 32.6,1135 15.473,1136 2.112,1137 6.574,1138 27.723,1139 3.488,1140 17.111,1141 20.601,1142 2.304,1143 35.097,1144 16.626,1145 1.79,1146 5.945,1147 29.638,1148 2.803,1149 18.287,1150 21.985,1151 2.237,1152 37.589,1153 17.769,1154 8229,1155 14725,1156 20.403,1157 32.125,1158 47.784,1159 48.356,1160 49.623,1161 47.266,1162 47.15,1163 62.375,1164 7.298,1165 141.094,1166 44.771,1167 5.497,1168 5.782,1169 6.667,1170 5.385,1171 5.35,1172 7.24,1173 2.132,1174 19.785,1175 5.237,1176 15.077,1177 1.541,1178 1.56,1179 1.601,1180 1.525,1181 1.521,1182 2.012,1183 0.235,1184 4.551,1185 1.444,1186 4.089,1187 4.137,1188 4.084,1189 3.957,1190 7.437,1191 3.971,1192 3.898,1193 3.92,1194 3.946,1195 3.845,1196 5.097,1197 3.839,1198 3.785,1199 3.82,1200 3.765,1201 3.655,1202 4.903,1203 3.671,1204 3.541,1205 3.59,1206 3.547,1207 3.327,1208 4.871,1209 3.365,1210 3.257,1211 3.325,1212 3.268,1213 2.998,1214 4.842,1215 3.007,1216 3.222,1217 3.304,1218 3.088,1219 2.932,1220 4.388,1221 2.952,1222 3.006,1223 3.071,1224 3.07,1225 2.852,1226 4.32,1227 2.855,1228 2.879,1229 2.922,1230 2.863,1231 2.792,1232 4.224,1233 2.768,1234 0.15,1235 0.122,1236 0.228,1237 0.139,1238 0.108,1239 4.642,1240 0.137,1241 3.782,1242 0.037,1243 7.078,1244 0.395,1245 4.314,1246 0.104,1247 3.35,1248 4.24,1249 1.152,1250 12.231,1251 3.237,1252 1.953,1253 1.927,1254 2.044,1255 2.077,1256 1.246,1257 2.064,1258 1.892,1259 1.871,1260 1.975,1261 1.963,1262 1.078,1263 1.975,1264 1.72,1265 1.685,1266 1.847,1267 1.883,1268 0.949,1269 1.873,1270 1.24,1271 1.172,1272 1.575,1273 1.558,1274 0.622,1275 1.54,1276 1.205,1277 1.154,1278 1.482,1279 1.517,1280 0.562,1281 1.492,1282 1.175,1283 1.098,1284 1.344,1285 1.462,1286 0.315,1287 1.471,1288 1.124,1289 1.05,1290 1.276,1291 1.381,1292 0.187,1293 1.361,1294 0.879,1295 0.824,1296 1.123,1297 1.075,1298 0.154,1299 1.096,1300 4.143,1302 5.493,1303 2.398,1304 7.041,1305 4.727,1306 8.687,1307 6.862,1308 10.387,1310 3.389,1311 6.106,1313 5.704,1317 3.128,1318 5.336,1320 -0.524,1326 31.052,1327 78.977,1328 181.677,1329 216.574,1330 240.574,1331 242.574,1332 242.574,1333 47.906,1334 7.754,1335 95.06,1336 95.06,1337 23,1338 12.824,1339 4.322,1340 3.524,1341 42.017,1342 92,1343 98,1344 0.223,1345 194.067,1346 333.81,1347 465.282,1348 22645,1349 2.2,1350 19.836,1351 0.708,1352 0.574,1353 20.336,1354 16.066,1355 13.474,1356 0.435,1357 0.29,1358 8.513,1359 12.633,1360 8.239,1361 6.842,1362 13.762,1363 8.995,1364 12.5,1365 0.278,1366 0.152,1367 12.908,1368 6.857,1369 10.415,1370 0.168,1371 0.078,1372 10.677,1373 4.845,1374 9.356,1375 0.106,1376 0.04,1377 9.61,1378 3.53,1379 7.645,1380 0.066,1381 0.021,1382 7.859,1383 2.39,1384 0.336,1385 87.76,1386 0.221,1387 25.968,1388 0.661,1389 152,1390 464.255,1391 182.77,1392 480.512,1393 652.6,1394 448,1395 183,1396 468.478,1397 208.762,1398 484.114,1399 711.18,1400 454,1401 4.143}
{0 CHEMBL1505420,1 1.678,2 11.5,3 1.744,4 3.042,5 108.451,6 8.169,7 0.375,8 4.02,9 4.13,10 3.636,11 3.527,12 5.283,13 3.54,14 4.499,15 4.645,16 3.993,17 3.891,18 5.792,19 3.881,20 4.772,21 4.94,22 4.134,23 4.006,24 6.072,25 4.008,26 4.863,27 5.036,28 4.173,29 3.941,30 6.475,31 3.958,32 4.847,33 5.048,34 4.048,35 3.925,36 6.194,37 3.927,38 4.836,39 5.025,40 3.988,41 3.93,42 6.194,43 3.93,44 4.754,45 4.932,46 3.99,47 3.921,48 6.245,49 3.899,50 4.704,51 4.883,52 3.879,53 3.883,54 6.009,55 3.85,56 0.17,57 0.742,58 8.62,59 4.177,60 18.813,61 4.879,62 0.434,63 1.129,64 15.703,65 6.788,66 30.248,67 8.6,68 0.496,69 1.359,70 23.025,71 8.713,72 74.329,73 10.981,74 1.188,75 1.411,76 27.289,77 8.193,78 185.671,79 10.407,80 0.913,81 1.398,82 28.074,83 8.022,84 110.799,85 10.187,86 0.93,87 1.334,88 27.899,89 8.054,90 137.837,91 9.511,92 0.873,93 1.226,94 24.834,95 8.68,96 146.192,97 10.774,98 0.575,99 1.182,100 23.066,101 8.532,102 94.84,103 10.426,104 38,105 44,106 0.281,107 0.622,108 0.751,109 0.856,110 0.888,111 0.888,112 3.44,113 0.863,114 -3.62,115 -3.59,116 -3.42,120 42,121 1,122 1,126 1,137 1,139 1,143 9,144 2,145 1,159 3,160 1,171 1,174 11,176 2,177 5,180 4,182 6,185 11,189 3,192 1,194 7,197 6,200 4,201 10,204 5,205 2,206 7,209 1,214 11,217 3,218 2,219 6,222 4,227 7,230 1,232 4,235 6,239 3,240 8,243 2,245 7,247 9,252 5,257 6,260 8,263 1,264 9,267 3,268 1,269 5,271 5,274 1584,275 20.043,276 20.043,277 20.043,278 20.043,279 20.043,280 17.798,281 23.614,282 11.814,283 20.215,284 15.668,285 15.668,286 15.668,287 15.668,288 15.668,289 12.113,290 28.312,291 5.466,292 15.885,293 3.966,294 1.924,295 1.153,296 0.527,297 0.335,298 0.335,299 4.118,306 1,307 1,308 725,309 3.742,313 331.704,320 1.833,321 51.194,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 67,333 345,334 4.543,335 3.988,336 6.89,337 4.228,338 3.243,339 3.979,340 1.741,341 11.417,342 3.189,343 4.309,344 3.586,345 6.386,346 3.945,347 2.952,348 3.914,349 1.118,350 9.621,351 2.925,352 3.98,353 3.424,354 6.127,355 3.648,356 2.673,357 3.461,358 0.98,359 8.794,360 2.603,361 3.771,362 3.312,363 5.311,364 3.383,365 2.394,366 3.047,367 0.943,368 6.818,369 2.357,370 3.425,371 2.738,372 5.101,373 3.062,374 2.069,375 2.656,376 0.522,377 5.821,378 2.039,379 3.377,380 2.706,381 4.99,382 2.991,383 1.987,384 2.511,385 0.485,386 5.458,387 1.976,388 3.121,389 2.654,390 4.843,391 2.79,392 1.777,393 2.166,395 4.986,396 1.783,397 2.902,398 1.793,399 3.85,400 2.462,401 1.46,402 2.06,404 3.127,405 1.461,406 2.861,407 1.543,408 3.714,409 2.392,410 1.414,411 2.015,413 3.099,414 1.377,415 2.581,416 1.386,417 3.582,418 2.138,419 1.141,420 1.571,422 2.744,423 1.134,424 2.5,425 1.312,426 3.42,427 2,428 1,429 1.5,431 2.136,432 1,433 2.021,434 1.167,435 3.247,436 1.642,437 0.625,438 0.789,440 1.618,441 0.627,442 1.813,443 1.024,444 3.222,445 1.605,446 0.59,447 0.653,449 1.117,450 0.595,451 1.688,452 1,453 2.927,454 1.315,455 0.277,456 0.362,458 0.556,459 0.284,460 1.093,461 0.783,462 2.608,463 0.718,464 -0.232,465 -0.275,467 -0.507,468 -0.216,469 13.767,470 0.459,471 0.754,472 0.025,473 39,474 1.3,475 20,476 0.667,477 19,478 0.633,479 23.764,480 0.792,481 32.433,482 0.649,483 34.589,484 1.153,485 8.181,486 0.273,487 6.237,488 0.208,489 0.157,491 0.356,496 0.734,497 1.175,498 0.735,499 0.986,500 0.618,501 0.874,502 0.499,503 1.104,504 0.759,505 1.048,506 0.555,507 0.985,508 0.931,509 1.35,510 0.835,511 1.193,512 0.93,513 1.028,514 0.979,515 1.101,516 0.997,517 1.013,518 0.986,519 1.005,520 1.27,521 0.937,522 1.081,523 0.855,524 1.211,525 0.89,526 1.594,527 0.85,528 1.243,529 0.798,530 1.57,531 0.887,532 1.007,533 0.94,534 0.98,535 0.971,536 1.109,537 0.976,538 1.167,539 1.144,540 1.071,541 1.148,542 1.195,543 1.106,544 5.5,545 0.186,546 3.778,547 2.875,548 2.089,549 1.014,550 0.855,551 0.564,552 0.391,553 0.252,554 11086,555 35967,556 1.993,557 40,558 3,559 11,562 4,564 2,567 1.732,568 1.837,569 3.47,570 1.664,571 1,572 1,575 83.906,576 1.678,577 3.719,578 4.491,579 5.117,580 5.309,581 5.309,582 2.911,583 4.231,584 4.878,585 3.644,586 1585.19,587 8.528,588 21976.3,590 1,592 1,593 282.193,594 1.506,595 4.82,596 0.172,597 0.008,598 0.086,599 0.059,600 0.044,601 0.024,602 0.021,603 0.014,604 0.011,605 0.008,606 0.446,607 0.17,608 1,609 0.792,610 153.786,611 -0.079,612 0.03,614 0.05,615 -0.076,616 0.047,617 0.197,618 0.036,619 0.056,620 -0.035,621 0.049,622 -0.037,623 -0.041,624 -0.32,625 0.078,626 -0.197,627 -0.054,628 -0.062,629 0.235,630 -0.065,631 0.001,632 -0.106,633 0.221,634 -0.116,635 -0.15,636 0.096,637 -0.068,638 0.046,639 -0.121,640 0.021,641 -0.357,642 0.155,643 -0.225,644 0.12,645 -0.269,646 0.019,647 0.075,648 0.024,649 0.002,650 0.019,651 0.073,652 -0.005,653 -0.17,654 -0.187,655 -0.11,656 -0.138,657 -0.151,658 -0.117,659 2.518,660 5.914,661 0.6,662 29.52,663 1.022,664 1.127,665 2.387,666 5.696,667 0.668,668 3.497,669 3.807,670 4.078,671 4.304,672 4.454,673 4.431,674 4.477,675 4.533,676 4.575,677 4.543,678 6.796,679 0.657,680 408.45,681 3.497,682 5.03,683 5.878,684 6.751,685 7.614,686 8.494,687 9.364,688 10.246,689 11.121,690 12.006,691 8,693 1,698 3,709 9,714 3,716 12,734 1,738 50,739 17,740 2,741 32,743 52,744 21,745 12,746 3,747 9,748 5,752 3,753 3,757 1,759 1,766 1,768 18,769 3,772 5,778 4,782 6,786 1,789 20,790 9,791 4,792 9,797 4,800 2,801 1,803 1,804 5,823 3,845 1,846 1,855 3,859 1,862 30,868 1,869 2,871 3,875 1,886 10,888 1,889 4,893 16.333,894 9.067,895 6.778,896 2.903,898 2.369,899 1.33,900 0.95,901 6.746,902 9.553,903 3.784,904 4.317,905 4.824,906 5.281,907 5.619,908 5.585,909 5.787,910 5.967,911 6.236,912 6.368,913 0.875,914 49,915 11.212,917 4.922,918 8.217,919 20.2,921 16.053,924 2.717,925 81.5,929 188.338,930 129.455,931 56.912,933 143.263,936 129.455,937 331.601,938 56.912,939 8.825,940 43.664,941 103.174,942 160.134,943 9.557,944 4.276,945 188.338,947 188.338,948 186.366,949 143.263,952 164.795,953 166.805,956 70.377,957 113.233,958 2.757,960 188.338,961 200.175,962 129.455,965 188.338,966 35.343,967 97.236,968 53.787,969 143.263,970 188.338,971 200.175,972 129.455,973 0.578,974 0.351,975 0.191,976 0.097,977 19,978 10,979 0.115,980 6,982 1,983 3.998,984 260.923,986 18,987 143.207,993 21.398,994 9.458,995 4.828,997 200.175,998 14.805,1003 0.521,1005 96.471,1006 517.967,1007 43,1013 49.746,1017 -3.228,1020 51.113,1021 56.362,1022 0.297,1023 0.659,1024 0.796,1025 0.907,1026 0.941,1027 0.941,1028 5.017,1029 1.46,1030 5.866,1031 4.986,1032 4.489,1033 5.004,1034 2.587,1035 6.688,1036 4.462,1037 6.218,1038 1.414,1039 7.44,1040 3.127,1041 4.111,1042 4.783,1043 1.305,1044 7.653,1045 4.075,1046 7.523,1047 1.141,1048 9.119,1049 3.099,1050 6.089,1051 7.109,1052 3.012,1053 10.773,1054 6.028,1055 8.863,1056 1,1057 10.861,1058 2.744,1059 6.538,1060 7.676,1061 2.537,1062 12.575,1063 6.467,1064 10.236,1065 0.625,1066 12.642,1067 2.136,1068 7.994,1069 9.496,1070 3.73,1071 15.229,1072 7.899,1073 11.631,1074 0.59,1075 14.451,1076 1.618,1077 8.821,1078 10.434,1079 3.738,1080 17.373,1081 8.717,1082 13.044,1083 0.277,1084 16.281,1085 1.117,1086 10.078,1087 12.037,1088 4.635,1089 19.869,1090 9.952,1091 3.243,1092 -0.232,1093 18.126,1094 0.556,1095 11.081,1096 13.165,1097 4.905,1098 22.163,1099 10.943,1100 2.952,1101 11.417,1102 19.982,1103 -0.507,1104 12.263,1105 14.662,1106 5.644,1107 24.604,1108 12.107,1109 2.673,1110 9.621,1111 21.849,1112 3.979,1113 13.346,1114 15.893,1115 6.049,1116 26.966,1117 13.176,1118 2.394,1119 8.794,1120 23.723,1121 3.914,1122 14.503,1123 17.333,1124 6.705,1125 29.391,1126 14.317,1127 2.069,1128 6.818,1129 25.603,1130 3.461,1131 15.624,1132 18.622,1133 7.179,1134 31.784,1135 15.423,1136 1.987,1137 5.821,1138 27.489,1139 3.047,1140 16.776,1141 20.031,1142 7.789,1143 34.206,1144 16.559,1145 1.777,1146 5.458,1147 29.38,1148 2.656,1149 17.915,1150 21.354,1151 8.3,1152 36.617,1153 17.682,1154 10878,1155 19757,1156 20.69,1157 33.387,1158 48.16,1159 51.127,1160 50.218,1161 47.287,1162 47.205,1163 61.367,1164 11.576,1165 134.622,1166 46.702,1167 5.543,1168 5.988,1169 6.691,1170 5.298,1171 5.243,1172 6.979,1173 3.066,1174 18.947,1175 5.189,1176 17.092,1177 1.505,1178 1.598,1179 1.569,1180 1.478,1181 1.475,1182 1.918,1183 0.362,1184 4.207,1185 1.459,1186 3.983,1187 4.014,1188 3.938,1189 3.878,1190 7.462,1191 3.881,1192 3.912,1193 3.935,1194 3.861,1195 3.836,1196 7.429,1197 3.836,1198 3.834,1199 3.862,1200 3.779,1201 3.705,1202 7.412,1203 3.725,1204 3.543,1205 3.608,1206 3.452,1207 3.31,1208 7.411,1209 3.332,1210 3.344,1211 3.411,1212 3.249,1213 3.09,1214 6.468,1215 3.124,1216 3.214,1217 3.267,1218 3.12,1219 3.02,1220 4.752,1221 3.023,1222 3.091,1223 3.119,1224 2.999,1225 2.811,1226 4.617,1227 2.853,1228 2.941,1229 2.974,1230 2.822,1231 2.746,1232 4.453,1233 2.75,1234 0.142,1235 0.125,1236 0.215,1237 0.132,1238 0.101,1239 4.543,1240 0.124,1241 3.988,1242 0.054,1243 6.89,1244 0.357,1245 4.228,1246 0.1,1247 3.243,1248 3.979,1249 1.741,1250 11.417,1251 3.189,1252 1.919,1253 1.889,1254 2.042,1255 2.047,1256 1.172,1257 2.035,1258 1.892,1259 1.873,1260 1.993,1261 1.997,1262 1.11,1263 1.995,1264 1.779,1265 1.751,1266 1.916,1267 1.933,1268 1.059,1269 1.928,1270 1.469,1271 1.407,1272 1.67,1273 1.731,1274 0.76,1275 1.721,1276 1.238,1277 1.183,1278 1.449,1279 1.555,1280 0.562,1281 1.53,1282 1.16,1283 1.109,1284 1.352,1285 1.397,1286 0.311,1287 1.391,1288 0.959,1289 0.917,1290 1.181,1291 1.254,1292 0.218,1293 1.216,1294 0.886,1295 0.839,1296 1.164,1297 1.147,1298 0.19,1299 1.132,1300 4.174,1302 5.485,1304 7,1306 8.612,1308 10.273,1310 1.681,1314 9.777,1315 0.187,1317 7.087,1321 0.925,1326 32.874,1327 83.906,1328 185.973,1329 224.544,1330 255.828,1331 265.438,1332 265.438,1333 95.682,1334 7.184,1335 133.29,1336 133.29,1337 18,1338 12.54,1339 4.17,1340 3.585,1341 55.137,1342 119,1343 120,1344 0.22,1345 204.986,1346 371.89,1347 491.927,1348 12358,1350 21.673,1351 0.722,1352 0.538,1353 21.673,1354 16.138,1355 14.418,1356 0.451,1357 0.288,1358 9.06,1359 13.806,1360 8.883,1361 7.401,1362 14.418,1363 9.206,1364 12.679,1365 0.288,1366 0.146,1367 12.679,1368 6.44,1369 10.714,1370 0.185,1371 0.077,1372 10.714,1373 4.466,1374 8.939,1375 0.122,1376 0.04,1377 8.939,1378 2.92,1379 6.561,1380 0.077,1381 0.022,1382 6.561,1383 1.848,1384 0.343,1385 91.248,1386 0.22,1387 28.274,1388 0.608,1389 152,1390 541.736,1391 171.37,1392 516.648,1393 680.73,1394 476,1395 178,1396 482.937,1397 197.43,1398 484.801,1399 708.23,1400 455,1401 4.52}
{0 CHEMBL1505474,1 1.209,2 9.192,3 5.407,4 29.235,5 104.794,6 7.401,7 0.643,8 3.881,9 3.981,10 3.445,11 3.57,12 5.043,13 3.517,14 4.354,15 4.487,16 3.752,17 3.931,18 5.455,19 3.856,20 4.656,21 4.839,22 3.849,23 4.06,24 5.787,25 3.966,26 4.726,27 4.915,28 3.828,29 4.039,30 5.911,31 3.947,32 4.74,33 4.933,34 3.889,35 4.066,36 5.971,37 3.981,38 4.783,39 4.98,40 3.892,41 4.101,42 6.048,43 4.006,44 4.741,45 4.945,46 3.831,47 4.092,48 5.885,49 3.983,50 4.711,51 4.934,52 3.656,53 4,54 5.806,55 3.866,56 0.021,57 0.494,58 8.463,59 4.292,60 7.361,61 5.596,62 0.044,63 0.812,64 14.49,65 7.07,66 11.393,67 9.282,68 0.12,69 1.129,70 21.778,71 9.796,72 41.602,73 12.828,74 0.223,75 1.205,76 24.463,77 10.32,78 58.684,79 12.953,80 0.203,81 1.226,82 24.79,83 10.54,84 62.874,85 13.401,86 0.341,87 1.283,88 26.227,89 11.016,90 89.275,91 14.047,92 0.163,93 1.244,94 24.576,95 10.813,96 48.053,97 14.232,98 0.191,99 1.22,100 24.619,101 10.613,102 52.63,103 14.012,104 10,105 37,106 0.205,107 0.431,108 0.563,109 0.702,110 0.792,111 0.825,112 3.305,113 0.92,114 -6.14,115 -5.99,116 -5.57,120 52.2,122 1,123 1,135 1,137 1,143 15,144 3,158 2,174 22,177 4,185 26,189 7,197 24,201 8,209 21,214 7,222 25,226 1,227 6,235 27,240 6,247 28,252 4,260 25,264 2,271 18,274 1156,275 17.725,276 17.725,277 17.725,278 17.725,279 17.725,280 15.246,281 10.407,282 10.837,283 17.671,284 13.807,285 13.807,286 13.807,287 13.807,288 13.807,289 10.129,290 13.094,291 5.151,292 13.688,293 4.315,294 2.975,295 2.199,296 1.376,297 0.842,298 0.652,299 3.985,306 1,307 1,308 506,309 3.808,313 295.661,320 1.299,321 25.318,324 0.75,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.81,332 54,333 239,334 4.394,335 3.719,336 6.682,337 4.141,338 3.128,339 3.847,340 1.277,341 10.649,342 3.166,343 4.146,344 3.572,345 6.097,346 3.811,347 2.788,348 3.674,349 0.68,350 8.76,351 2.849,352 3.999,353 3.083,354 5.952,355 3.644,356 2.635,357 3.531,359 8.305,360 2.657,361 3.566,362 2.211,363 5.102,364 3.104,365 2.102,366 2.967,368 5.784,369 2.106,370 3.285,371 2.186,372 4.445,373 2.841,374 1.821,375 2.553,377 4.404,378 1.852,379 3.07,380 2.043,381 4.099,382 2.634,383 1.62,384 2.266,386 3.59,387 1.64,388 2.816,389 1.43,390 3.654,391 2.331,392 1.331,393 1.922,395 2.952,396 1.331,397 2.594,398 1.324,399 3.504,400 2.143,401 1.132,402 1.588,404 2.664,405 1.143,406 2.5,407 1.323,408 3.365,409 2,410 1,411 1.5,413 2.136,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.5,425 1,426 3.247,427 2,428 1,429 1.5,431 2.136,432 1,433 2.368,434 1,435 3.247,436 1.835,437 0.785,438 1.146,440 1.962,441 0.819,442 1.915,443 0.952,444 2.952,445 1.348,446 0.296,447 0.447,449 0.688,450 0.309,451 0.818,452 0.186,453 2.45,454 0.462,455 -0.558,456 -0.696,458 -1.339,459 -0.564,460 0.75,461 -0.442,462 2.122,463 0.28,464 -0.75,465 -1.089,467 -1.609,468 -0.769,469 12.667,470 0.487,471 0.507,472 0.02,473 37,474 1.423,475 22.5,476 0.865,477 14.5,478 0.558,479 17.542,480 0.675,481 25.733,482 0.559,483 28.873,484 1.111,485 7.637,486 0.294,487 5.028,488 0.193,489 0.092,491 0.276,496 0.478,497 0.898,498 0.779,499 0.897,500 0.564,501 0.872,502 0.585,503 1.081,504 0.936,505 1.079,506 0.635,507 1.046,508 0.937,509 1.073,510 0.969,511 1.065,512 0.923,513 1.027,514 1.613,515 1.033,516 1.103,517 1.023,518 1.609,519 1.016,520 1.441,521 0.981,522 0.977,523 0.966,524 1.41,525 0.933,526 1.369,527 0.923,528 1.018,529 0.92,530 1.36,531 0.934,532 0.997,533 1.014,534 0.99,535 1.012,536 0.986,537 1.002,538 1.083,539 1.006,540 1.073,541 1.012,542 1.065,543 1.037,544 3.5,545 0.016,546 2.889,547 1.688,548 1.293,549 1.097,550 0.573,551 0.304,552 0.192,553 0.085,554 7306,555 18532,556 2.059,557 43.5,558 1,559 17,563 2,567 1.699,568 1.95,569 3.182,570 -0.913,575 55.606,576 1.209,577 2.549,578 3.325,579 4.148,580 4.681,581 4.871,582 2.643,583 4.162,584 4.672,585 3.321,586 1079.25,587 8.142,588 13491.6,593 254.084,594 1.3,595 4.642,596 0.125,597 0.002,598 0.078,599 0.043,600 0.035,601 0.027,602 0.014,603 0.008,604 0.006,605 0.004,606 0.343,607 0.5,608 0.88,609 0.54,610 125.521,611 0.001,612 0.038,613 0.028,614 0.038,615 -0.056,616 0.036,617 0.007,618 -0.136,619 -0.083,620 -0.134,621 -0.039,622 -0.119,623 0.004,624 -0.106,625 -0.024,626 -0.1,627 0.021,628 -0.07,629 -0.127,630 -0.055,631 -0.099,632 -0.059,633 -0.132,634 -0.074,635 -0.057,636 -0.002,637 0.024,638 0.003,639 -0.016,640 0.018,641 0.048,642 0.059,643 -0.011,644 0.051,645 0.053,646 0.02,647 -0.03,648 -0.039,649 -0.02,650 -0.037,651 -0.015,652 -0.029,653 -0.084,654 -0.024,655 -0.08,656 -0.029,657 -0.074,658 -0.05,659 1.791,660 5.867,661 0.692,662 21.077,663 0.989,664 1.099,665 4.913,666 24.137,667 0.707,668 3.367,669 3.638,670 3.892,671 4.078,672 4.263,673 4.174,674 4.263,675 4.263,676 4.263,677 4.205,678 5.725,679 0.667,680 340.44,681 3.367,682 4.875,683 5.707,684 6.555,685 7.405,686 8.262,687 9.119,688 9.98,689 10.841,690 11.705,709 15,714 3,716 18,721 2,738 46,739 21,740 3,741 28,743 48,744 24,745 18,746 3,747 15,748 4,752 3,753 3,766 1,768 22,769 2,770 1,772 3,773 1,778 2,782 3,789 20,790 2,792 2,803 1,804 2,823 3,843 1,846 1,855 3,862 26,869 1,874 1,886 4.3,889 2,893 13.333,894 8.167,895 5.889,896 2.688,898 2.162,899 1.325,900 0.979,901 5.558,902 8.811,903 3.714,904 4.241,905 4.781,906 5.233,907 5.704,908 5.582,909 5.889,910 6.012,911 6.222,912 6.46,913 1,914 39,915 9.652,917 4.093,918 7.801,919 18.27,921 14.8,924 2.301,925 59.833,929 235.422,930 183.454,933 50.29,936 183.454,937 285.712,940 18.301,941 142.144,942 60.557,943 12.742,945 235.422,947 235.422,948 183.454,949 50.29,952 235.422,953 50.29,956 2.535,957 180.92,960 235.422,961 50.29,962 183.454,965 235.422,966 25.544,967 142.144,969 66.057,970 235.422,971 50.29,972 183.454,973 0.567,974 0.337,975 0.18,976 0.097,977 16,978 7,979 0.146,980 7,982 1,983 3.739,984 213.837,986 18,987 110.211,993 17.572,994 8.224,995 4.248,997 50.29,998 27.84,1003 2.157,1006 469.166,1007 40,1008 4.053,1013 25.606,1017 0.313,1020 45.491,1021 50.571,1022 0.219,1023 0.461,1024 0.602,1025 0.751,1026 0.847,1027 0.882,1028 4.902,1029 1.132,1030 5.659,1031 2.952,1032 4.317,1033 4.927,1034 1.647,1035 6.431,1036 4.339,1037 6.082,1038 1,1039 7.197,1040 2.664,1041 3.761,1042 4.425,1044 7.29,1045 3.816,1046 7.356,1047 1,1048 8.845,1049 2.136,1050 5.861,1051 7.012,1052 1.91,1053 10.418,1054 5.905,1055 8.667,1056 1,1057 10.563,1058 2.136,1059 6.196,1060 7.339,1062 12.143,1063 6.278,1064 10.012,1065 0.785,1066 12.325,1067 2.136,1068 7.717,1069 9.354,1070 2.292,1071 14.772,1072 7.79,1073 11.381,1074 0.296,1075 14.116,1076 1.962,1077 8.462,1078 10.082,1080 16.831,1081 8.567,1082 12.769,1083 -0.558,1084 15.928,1085 0.688,1086 9.742,1087 11.822,1088 2.726,1089 19.287,1090 9.845,1091 3.128,1092 -0.75,1093 17.754,1094 -1.339,1095 10.681,1096 12.773,1098 21.496,1099 10.81,1100 2.788,1101 10.649,1102 19.59,1103 -1.609,1104 11.859,1105 14.356,1106 3.186,1107 23.887,1108 11.992,1109 2.635,1110 8.76,1111 21.434,1112 3.847,1113 12.891,1114 15.442,1116 26.168,1117 13.044,1118 2.102,1119 8.305,1120 23.284,1121 3.674,1122 14.029,1123 16.93,1124 3.659,1125 28.536,1126 14.19,1127 1.821,1128 5.784,1129 25.14,1130 3.531,1131 15.106,1132 18.101,1134 30.854,1135 15.283,1136 1.62,1137 4.404,1138 27,1139 2.967,1140 16.23,1141 19.53,1142 4.138,1143 33.214,1144 16.417,1145 1.331,1146 3.59,1147 28.863,1148 2.553,1149 17.33,1150 20.757,1152 35.552,1153 17.531,1154 7114,1155 11418,1156 18.781,1157 32.523,1158 42.164,1159 43.336,1160 42.47,1161 41.29,1162 41.275,1163 56.881,1164 3.915,1165 112.329,1166 41.743,1167 5.311,1168 5.719,1169 6.484,1170 5.141,1171 5.128,1172 6.847,1173 2.555,1174 18.026,1175 5.166,1176 10.501,1177 1.506,1178 1.548,1179 1.517,1180 1.475,1181 1.474,1182 2.031,1183 0.14,1184 4.012,1185 1.491,1186 4.015,1187 4.038,1188 3.955,1189 3.954,1190 7.43,1191 3.95,1192 3.901,1193 3.924,1194 3.84,1195 3.841,1196 7.425,1197 3.837,1198 3.868,1199 3.897,1200 3.797,1201 3.815,1202 4.79,1203 3.807,1204 3.595,1205 3.63,1206 3.505,1207 3.506,1208 4.72,1209 3.5,1210 3.345,1211 3.369,1212 3.266,1213 3.191,1214 4.717,1215 3.202,1216 2.992,1217 3.019,1218 2.906,1219 2.86,1220 4.555,1221 2.864,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.783,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.157,1235 0.133,1236 0.239,1237 0.148,1238 0.112,1239 4.394,1240 0.137,1241 3.719,1242 0.046,1243 6.682,1244 0.38,1245 4.141,1246 0.113,1247 3.128,1248 3.847,1249 1.277,1250 10.649,1251 3.166,1252 1.979,1253 1.957,1254 2.089,1255 2.059,1256 1.292,1257 2.069,1258 1.903,1259 1.879,1260 2.019,1261 1.984,1262 1.081,1263 1.996,1264 1.879,1265 1.852,1266 2.003,1267 1.956,1268 1.067,1269 1.974,1270 1.596,1271 1.562,1272 1.771,1273 1.717,1274 0.892,1275 1.736,1276 1.298,1277 1.268,1278 1.503,1279 1.485,1280 0.486,1281 1.485,1282 0.959,1283 0.928,1284 1.181,1285 1.134,1286 0.245,1287 1.134,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.043,1302 5.323,1304 6.812,1306 8.385,1308 9.999,1315 0.214,1320 -0.35,1326 30.698,1327 55.606,1328 117.239,1329 152.951,1330 190.8,1331 215.329,1332 224.084,1333 56.846,1334 6.649,1335 34.14,1336 34.14,1337 18,1338 12.253,1339 4.459,1340 3.7,1341 43.871,1342 83,1343 92,1344 0.241,1345 191.67,1346 339.88,1347 459.435,1348 5576,1350 18.355,1351 0.706,1352 0.556,1353 18.355,1354 14.468,1355 12.665,1356 0.452,1357 0.307,1358 8.555,1359 12.534,1360 8.327,1361 6.951,1362 12.665,1363 8.583,1364 10.789,1365 0.292,1366 0.167,1367 10.789,1368 6.177,1369 9.252,1370 0.193,1371 0.092,1372 9.252,1373 4.435,1374 7.203,1375 0.124,1376 0.052,1377 7.203,1378 2.988,1379 5.731,1380 0.082,1381 0.029,1382 5.731,1383 2,1384 0.368,1385 77.143,1386 0.231,1387 24.814,1388 0.697,1389 130,1390 343.471,1391 134.207,1392 343.858,1393 463.97,1394 320,1395 150,1396 329.273,1397 154.319,1398 341.182,1399 491.04,1400 322,1401 5.102}
{0 CHEMBL1505902,1 1.962,2 5.75,3 0.799,4 0.639,5 57.376,6 9.627,7 0.353,8 3.367,9 3.476,10 3.137,11 2.823,12 4.627,13 2.861,14 3.892,15 4.082,16 3.593,17 3.177,18 5.182,19 3.222,20 4.002,21 4.114,22 3.792,23 3.33,24 5.538,25 3.389,26 4.164,27 4.32,28 3.566,29 3.248,30 5.77,31 3.265,32 3.82,33 3.984,34 3.287,35 3.079,36 5.176,37 3.017,38 3.822,39 4.057,40 3.021,41 2.743,42 5.233,43 2.646,44 3.023,45 3.223,46 1.917,47 2.256,48 4.047,49 2.021,50 3.19,51 3.578,52 0.792,53 1.712,54 3.958,55 1.302,56 0.126,57 0.397,58 2.8,59 1.769,60 9.18,61 2.04,62 0.407,63 0.58,64 9.768,65 2.694,66 24.148,67 3.596,68 0.358,69 0.644,70 6.817,71 3.274,72 31.802,73 3.48,74 0.798,75 0.58,76 15.572,77 3.542,78 107.518,79 3.434,80 0.292,81 0.445,82 6.863,83 3.324,84 27,85 3.878,86 0.632,87 0.296,88 18.085,89 3.234,90 79.853,91 3.745,92 0.095,93 0.175,94 3.095,95 1.974,96 5.622,97 2.551,98 0.331,99 0.087,100 15.036,101 2.355,102 45.908,103 3.639,104 37,105 26,106 0.396,107 0.642,108 0.758,109 0.774,110 0.822,111 0.822,112 2.857,113 0.866,114 -1.96,115 -2.01,116 -2.01,120 36,121 1,125 2,147 2,148 2,159 1,160 1,176 5,177 2,188 4,189 2,197 1,200 5,201 1,213 1,214 3,227 3,240 1,274 192,275 10.052,276 10.052,277 10.052,278 10.052,279 10.052,280 9.075,281 14.108,282 5.444,283 10.455,284 8.251,285 8.251,286 8.251,287 8.251,288 8.251,289 6.583,290 17.148,291 2.515,292 8.92,293 2.682,294 1.461,295 0.891,296 0.811,297 0.571,298 0.571,299 3.488,304 1,306 1,307 1,308 186,309 2,313 68.448,317 58.965,320 0.813,321 26.237,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 36.333,333 92,334 4.58,335 3.967,336 6.929,337 4.252,338 3.303,339 4.189,340 1.761,341 11.5,342 3.131,343 4.043,344 3.387,345 6.056,346 3.63,347 2.719,348 3.431,349 1.083,350 8.457,351 2.461,352 3.623,353 3.186,354 5.853,355 3.305,356 2.343,357 2.848,358 0.526,359 7.604,360 2.238,361 3.496,362 2.662,363 5.688,364 3.137,365 2.197,366 2.714,367 0.064,368 7.137,369 2.038,370 2.812,371 1.942,372 4.344,373 2.288,374 1.414,375 1.893,377 3.894,378 1.187,379 2.063,380 1.662,381 3.709,382 1.649,383 0.647,384 0.832,386 1.613,387 0.635,388 1.828,389 1.498,390 3.443,391 1.427,392 0.471,393 0.564,395 1.147,396 0.417,397 1.371,398 0.744,399 2.63,400 0.923,406 0.777,407 -0.213,408 2.336,409 0.296,410 -0.615,411 -0.792,413 -1.665,414 -0.494,415 0.24,416 -0.386,417 2,418 -0.092,419 -1,420 -1.16,422 -2.569,423 -0.851,425 -0.455,426 1.653,427 -0.269,428 -1.263,429 -1.488,431 -3.072,432 -1.18,433 -0.124,434 -0.87,435 1.404,436 -0.432,437 -1.395,438 -1.696,440 -3.955,441 -1.253,442 -0.173,443 -1.04,444 1.334,445 -0.607,446 -1.414,447 -1.785,449 -4,450 -1.363,451 -0.469,452 -1.235,453 1.258,454 -0.644,455 -1.592,456 -2,457 -0.4,458 -5.339,459 -1.558,460 -0.5,461 -1.621,462 1.187,463 -0.921,464 -1.814,465 -2.219,466 -0.66,467 -6.121,468 -1.669,469 7.481,470 0.468,471 0.656,472 0.041,473 21.25,474 1.328,475 9.5,476 0.594,477 11.75,478 0.734,479 10.999,480 0.687,481 17.719,482 0.709,483 14.738,484 0.921,485 4.309,486 0.269,487 3.121,488 0.195,489 0.385,491 0.508,496 0.704,497 1.952,498 0.511,499 1.181,500 0.558,501 0.972,502 0.563,503 0.818,504 0.432,505 0.437,506 0.538,507 0.384,508 0.903,509 1.422,510 0.653,511 1.138,512 0.925,513 0.942,514 1.608,515 0.723,516 1.38,517 0.835,518 1.716,519 1.001,520 0.86,521 1.381,522 0.978,523 1.375,524 0.771,525 1.434,526 1.391,527 0.369,528 1.589,529 0.949,530 1.405,531 1.006,532 0.382,533 1.591,534 1.066,535 2.022,536 0.403,537 2.207,538 1.014,539 0.015,540 1.37,541 0.516,542 1.042,543 0.497,544 4,546 3.111,547 1.75,548 1.751,549 0.569,550 0.242,554 1495,555 6306,556 1.889,557 36,559 6,563 3,567 1.561,568 1.655,569 2.561,570 -0.55,574 1,575 49.038,576 1.962,577 3.183,578 3.753,579 3.833,580 4.073,581 4.073,582 1.906,583 3,584 3.977,585 2.56,586 307.211,587 6.741,588 2588.45,590 1,593 116.096,594 1.406,595 3.851,596 0.235,598 0.12,599 0.058,600 0.08,601 0.038,602 0.03,606 0.561,607 0.67,608 1,609 0.781,610 61.684,611 -0.098,612 -0.698,613 0.021,614 -0.274,615 -0.07,616 -0.131,617 0.218,618 0.296,619 0.306,620 0.426,621 0.085,622 0.507,623 -0.006,624 -0.241,625 0.047,626 -0.244,627 -0.003,628 -0.142,629 -0.301,630 0.235,631 -0.398,632 0.057,633 -0.209,634 -0.184,635 -0.064,636 -0.356,637 -0.126,638 -0.395,639 -0.005,640 -0.475,641 -0.131,642 0.321,643 -0.123,644 0.102,645 -0.095,646 0.073,647 0.178,648 -0.69,649 -0.237,650 -0.941,651 0.074,652 -1.054,653 0.073,654 0.284,655 0.34,656 0.652,657 -0.006,658 0.979,659 2.134,660 4.769,661 0.625,662 7.5,663 1.041,664 1.144,665 0.727,666 0.528,667 0.683,668 2.89,669 3.296,670 3.611,671 3.807,672 4.078,673 4.111,674 3.97,675 3.807,676 3.638,677 2.944,678 3.54,679 0.677,680 240.67,681 2.89,682 4.466,683 5.352,684 6.26,685 7.166,686 8.077,687 8.988,688 9.899,689 10.811,690 11.723,691 16,698 2,701 2,710 2,714 4,716 6,737 1,738 25,739 8,741 17,743 26,744 9,745 4,748 1,752 2,753 3,754 1,757 1,759 1,768 6,769 3,772 2,778 2,782 2,786 1,789 9,790 6,792 7,793 1,797 4,800 1,803 0.5,804 2,813 1,823 2,827 1,855 1,859 3,860 1,862 16,875 2,885 1,886 8,889 2,893 9.667,894 5.776,895 3.444,896 1.357,898 1.467,899 1.244,900 0.937,901 2.504,902 7.49,903 3.135,904 3.75,905 4.321,906 4.795,907 5.326,908 5.548,909 5.621,910 5.597,911 5.618,912 5.238,913 0.75,914 30,915 5.897,917 2.546,918 8.257,919 10.587,921 8.295,924 2.757,925 44.111,926 0.001,929 105.94,930 45.512,931 39.82,932 39.149,933 50.29,936 45.512,937 195.378,938 39.82,939 25.618,940 6.249,942 88.566,943 5.513,944 48.824,945 105.94,947 105.94,948 85.331,949 50.29,950 39.149,952 105.94,953 50.29,956 20.587,957 31.173,958 33.571,959 39.149,960 105.94,961 90.11,962 84.66,965 105.94,966 19.894,967 31.867,969 123.01,970 105.94,971 90.11,972 84.66,973 0.617,974 0.39,975 0.185,976 0.105,977 14,978 8,981 1,982 1.2,983 2.571,984 113.544,985 0.2,986 10,987 64,993 11.144,994 3.594,995 1.553,997 90.11,999 8.04,1003 0.996,1006 280.71,1007 22,1013 23.383,1017 -0.919,1020 26.036,1021 28.602,1022 0.422,1023 0.685,1024 0.808,1025 0.825,1026 0.877,1027 0.877,1028 4.425,1030 5.416,1031 1.147,1032 3.97,1033 4.431,1034 2.197,1035 6.323,1036 3.829,1037 5.678,1038 -0.615,1039 7.064,1041 3.892,1042 4.511,1043 1.404,1044 7.398,1045 3.686,1046 7.027,1047 -1,1048 8.806,1049 -1.665,1050 5.68,1051 6.63,1052 2.804,1053 10.537,1054 5.415,1055 8.407,1056 -1.263,1057 10.595,1058 -2.569,1059 6.33,1060 7.43,1061 2.647,1062 12.339,1063 6.01,1064 9.814,1065 -1.395,1066 12.412,1067 -3.072,1068 7.691,1069 9.122,1070 3.665,1071 15.051,1072 7.313,1073 11.24,1074 -1.414,1075 14.247,1076 -3.955,1077 8.641,1078 10.235,1079 3.851,1080 17.182,1081 8.213,1082 12.68,1083 -1.592,1084 16.096,1085 -4,1086 9.869,1087 11.775,1088 4.661,1089 19.738,1090 9.386,1091 3.303,1092 -1.814,1093 17.956,1094 -5.339,1095 10.948,1096 13.039,1097 5.029,1098 22.031,1099 10.419,1100 2.719,1101 11.5,1102 19.825,1103 -6.121,1104 12.137,1105 14.516,1106 5.726,1107 24.522,1108 11.555,1109 2.343,1110 8.457,1111 21.701,1112 4.189,1113 13.275,1114 15.858,1115 6.188,1116 26.893,1117 12.645,1118 2.197,1119 7.604,1120 23.585,1121 3.431,1122 14.456,1123 17.308,1124 6.825,1125 29.357,1126 13.776,1127 1.414,1128 7.137,1129 25.475,1130 2.848,1131 15.62,1132 18.691,1133 7.336,1134 31.765,1135 14.892,1136 0.647,1137 3.894,1138 27.37,1139 2.714,1140 16.802,1141 20.129,1142 7.94,1143 34.217,1144 16.024,1145 0.471,1146 1.613,1147 29.27,1148 1.893,1149 17.98,1150 21.534,1151 8.477,1152 36.643,1153 17.152,1154 1629,1155 3426,1156 10.175,1157 17.074,1158 26.922,1159 29.213,1160 29.222,1161 26.364,1162 26.186,1163 32.944,1164 6.869,1165 82.704,1166 24.214,1167 5.526,1168 5.967,1169 5.865,1170 5.334,1171 5.303,1172 7.189,1173 3.071,1174 19.5,1175 5.025,1176 10.605,1177 1.584,1178 1.718,1179 1.719,1180 1.551,1181 1.54,1182 1.938,1183 0.404,1184 4.865,1185 1.424,1186 3.972,1187 4.012,1188 4.041,1189 3.787,1190 7.444,1191 3.821,1192 3.579,1193 3.63,1194 3.682,1195 3.367,1196 7.411,1197 3.392,1198 3.285,1199 3.377,1200 3.209,1201 3.013,1202 5.059,1203 3.026,1204 3.091,1205 3.162,1206 3.119,1207 2.888,1208 4.417,1209 2.892,1210 2.891,1211 2.95,1212 2.915,1213 2.659,1214 4.152,1215 2.648,1216 2.796,1217 2.835,1218 2.571,1219 2.47,1220 3.959,1221 2.494,1222 2.411,1223 2.415,1224 2.555,1225 2.199,1226 3.758,1227 2.211,1228 2.248,1229 2.334,1230 2.144,1231 1.88,1232 3.583,1233 1.942,1234 0.269,1235 0.233,1236 0.408,1237 0.25,1238 0.194,1239 4.58,1240 0.246,1241 3.967,1242 0.104,1243 6.929,1244 0.676,1245 4.252,1246 0.184,1247 3.303,1248 4.189,1249 1.761,1250 11.5,1251 3.131,1252 1.843,1253 1.806,1254 1.901,1255 2.052,1256 0.972,1257 2.01,1258 1.489,1259 1.435,1260 1.708,1261 1.727,1262 0.78,1263 1.722,1264 1.242,1265 1.143,1266 1.599,1267 1.539,1268 0.656,1269 1.561,1270 1.07,1271 0.995,1272 1.379,1273 1.324,1274 0.434,1275 1.353,1276 0.796,1277 0.738,1278 0.945,1279 1.093,1281 1.076,1282 0.652,1283 0.625,1284 0.718,1285 1.011,1287 0.934,1288 0.268,1289 0.249,1290 0.312,1291 0.456,1293 0.443,1294 0.047,1296 0.038,1297 0.447,1299 0.359,1300 3.555,1302 4.934,1304 6.526,1306 8.218,1308 9.962,1310 4.569,1311 5.806,1321 2.236,1326 16.923,1327 49.038,1328 79.567,1329 93.832,1330 95.832,1331 101.832,1332 101.832,1333 31.692,1334 6.023,1335 69.78,1336 69.78,1337 12,1338 12.237,1339 3.17,1340 2.585,1341 25.661,1342 36,1343 26,1344 0.41,1345 111.18,1346 192.23,1347 263.04,1348 2276,1349 4,1350 12.033,1351 0.752,1352 0.609,1353 12.533,1354 9.739,1355 7.43,1356 0.437,1357 0.289,1358 4.443,1359 6.709,1360 4.204,1361 3.523,1362 7.719,1363 4.908,1364 7.19,1365 0.277,1366 0.148,1367 7.561,1368 3.836,1369 6.648,1370 0.185,1371 0.076,1372 7.05,1373 2.751,1374 4.619,1375 0.105,1376 0.035,1377 4.824,1378 1.552,1379 3.825,1380 0.066,1381 0.018,1382 4.099,1383 1.043,1384 0.584,1385 50.973,1386 0.313,1387 15.315,1388 1.318,1389 86,1390 336.255,1391 115.756,1392 347.665,1393 455.26,1394 320,1395 105,1396 310.107,1397 132.344,1398 321.599,1399 476.88,1400 298,1401 4.846}
{0 CHEMBL1505964,1 1.766,2 17.5,3 3.354,4 11.246,5 126.41,6 8.378,7 0.333,8 4.209,9 4.293,10 3.982,11 3.725,12 5.295,13 3.701,14 4.785,15 4.933,16 4.296,17 4.08,18 6.055,19 4.042,20 5.026,21 5.196,22 4.36,23 4.233,24 6.201,25 4.162,26 5.054,27 5.208,28 4.216,29 4.185,30 6.332,31 4.114,32 5.048,33 5.261,34 4.143,35 4.115,36 6.257,37 4.017,38 4.945,39 5.176,40 4.116,41 4.022,42 6.045,43 3.93,44 4.834,45 5.031,46 4.011,47 3.881,48 6.168,49 3.825,50 4.714,51 4.893,52 3.876,53 3.792,54 5.959,55 3.725,56 0.176,57 0.851,58 13.608,59 6.193,60 23.251,61 6.976,62 0.815,63 1.335,64 26.074,65 9.848,66 73.952,67 11.474,68 1.067,69 1.593,70 44.123,71 13.747,72 99.152,73 15.049,74 1.236,75 1.56,76 43.459,77 13.572,78 160.153,79 14.835,80 1.271,81 1.516,82 41.675,83 12.915,84 156.048,85 16.132,86 0.923,87 1.378,88 38.099,89 11.86,90 96.732,91 15.457,92 1.076,93 1.19,94 33.61,95 10.197,96 151.373,97 12.328,98 1.004,99 1.011,100 31.369,101 9.063,102 110.154,103 10.616,104 39,105 49,106 0.285,107 0.562,108 0.728,109 0.797,110 0.803,111 0.813,112 3.559,113 1.055,114 -3.01,115 -3.01,116 -2.9,120 37.7,121 1,122 1,126 7,143 8,145 4,159 2,174 4,176 5,177 8,185 6,188 3,189 10,197 6,200 2,201 6,209 4,213 6,214 2,222 4,226 1,227 9,239 4,240 8,251 3,252 3,263 2,264 9,271 1,274 2380,275 22.556,276 22.556,277 22.556,278 22.556,279 22.556,280 20.532,281 27.254,282 13.413,283 23.438,284 17.674,285 17.674,286 17.674,287 17.674,288 17.674,289 14.433,290 29.47,291 6.261,292 19.024,293 4.165,294 2.45,295 1.422,296 0.996,297 0.963,298 0.898,299 4.239,303 1,307 1,308 1249,309 4.69,313 425.4,320 2.765,321 57.751,324 0.75,325 0.5,326 0.67,327 0.9,328 1,329 0.67,330 0.5,331 0.71,332 76.333,333 595,334 4.931,335 4.725,336 7.666,337 4.434,338 3.512,339 4.758,340 2.467,341 13.611,342 3.212,343 4.039,344 3.78,345 6.028,346 3.743,347 2.789,348 3.636,349 2.014,350 8.569,351 2.65,352 3.96,353 3.63,354 5.583,355 3.608,356 2.659,357 3.411,358 0.86,359 7.386,360 2.517,361 3.85,362 2.969,363 5.491,364 3.37,365 2.443,366 3.117,367 0.86,368 6.783,369 2.274,370 3.639,371 2.906,372 5.135,373 3.322,374 2.359,375 2.818,376 0.669,377 6.387,378 2.22,379 3.485,380 2.71,381 5.028,382 3.109,383 2.195,384 2.75,385 0.4,386 6.066,387 1.992,388 3.221,389 2.646,390 5.005,391 2.919,392 1.998,393 2.394,394 0.289,395 5.773,396 1.797,397 2.929,398 2.14,399 4.354,400 2.507,401 1.545,402 1.959,404 4.142,405 1.434,406 2.5,407 1.746,408 4.054,409 2.174,410 1.261,411 1.5,413 3.338,414 1.136,415 2.5,416 1.698,417 3.444,418 2.08,419 1.154,420 1.5,422 2.505,423 1.052,424 2.43,425 1.496,426 3.414,427 2,428 1.012,429 1.383,431 2.275,432 1,433 2.312,434 1.445,435 3.414,436 2,437 1,438 1.274,440 2.275,441 1,442 2.133,443 1.146,444 3.414,445 1.967,446 1,447 1.099,449 2.275,450 0.965,451 2,452 1,453 3.155,454 1.946,455 1,456 1,458 1.848,459 0.932,460 1.694,461 1,462 2.978,463 1.331,464 0.399,465 0.458,467 0.881,468 0.361,469 16.181,470 0.476,471 0.882,472 0.026,473 41,474 1.206,475 19,476 0.559,477 22,478 0.647,479 30.171,480 0.887,481 39.019,482 0.64,483 34.766,484 1.023,485 8.217,486 0.242,487 8.073,488 0.237,489 0.157,490 0.052,491 0.235,496 0.653,497 1.565,498 0.702,499 1.331,500 0.601,501 1.05,502 0.889,503 1.085,504 0.773,505 0.891,506 0.586,507 0.906,508 1.198,509 0.966,510 1.231,511 1.096,512 0.969,513 0.952,514 1.403,515 1.2,516 1.306,517 1.251,518 1.734,519 1.2,520 0.938,521 0.933,522 0.694,523 0.801,524 1.262,525 0.979,526 0.707,527 0.978,528 0.657,529 0.926,530 0.66,531 0.936,532 1.063,533 0.979,534 0.847,535 0.917,536 1.07,537 0.928,538 1.358,539 0.927,540 1.21,541 0.908,542 1.338,543 1.03,544 8,545 0.215,546 4.889,547 2.125,548 1.387,549 1.208,550 0.77,551 0.417,552 0.304,553 0.282,554 19766,555 66164,556 1.987,557 44.3,559 22,563 2,564 3,567 1.751,568 1.846,569 4.034,570 -0.671,575 107.7,576 1.766,577 3.48,578 4.509,579 4.935,580 4.968,581 5.033,582 3.517,583 4.499,584 5.056,585 4.229,586 2372.56,587 8.818,588 40473.8,593 361.775,594 1.552,595 5.003,596 0.222,597 0.007,598 0.1,599 0.042,600 0.032,601 0.031,602 0.021,603 0.012,604 0.01,605 0.01,606 0.486,607 0.33,608 0.63,609 0.891,610 189.615,611 0.022,612 -0.31,613 0.142,614 -0.171,615 -0.075,616 -0.046,617 0.063,618 0.05,619 0.069,620 0.081,621 0.142,622 0.028,623 -0.146,624 0.112,625 -0.118,626 0.019,627 -0.041,628 0.022,629 -0.215,630 -0.185,631 -0.303,632 -0.197,633 -0.244,634 -0.249,635 0.045,636 0.014,637 0.07,638 0.065,639 -0.075,640 -0.022,641 0.12,642 -0.037,643 0.2,644 -0.027,645 0.08,646 0.065,647 0.048,648 -0.028,649 0.039,650 -0.002,651 0.125,652 0.021,653 -0.128,654 -0.01,655 -0.162,656 -0.007,657 -0.125,658 -0.09,659 4.579,660 5.731,661 0.529,662 47.765,663 1.023,664 1.127,665 1.781,666 3.172,667 0.666,668 3.611,669 3.912,670 4.111,671 4.234,672 4.419,673 4.466,674 4.5,675 4.369,676 4.394,677 4.489,678 9.761,679 0.638,680 511.04,681 3.611,682 5.142,683 5.964,684 6.817,685 7.658,686 8.517,687 9.366,688 10.23,689 11.085,690 11.952,691 3.3,694 1,698 1,709 8,714 4,716 12,735 2,737 1,738 61,739 16,740 2,741 36,743 63,744 23,745 12,746 4,747 8,752 3,753 3,754 1,759 1,766 1,768 14,769 9,772 4,776 1,778 4,782 2,789 27,790 9,792 11,793 2,797 2,803 1,804 7,823 3,839 1,841 1,855 3,857 1,859 1,860 1,862 34,866 1,869 8,872 3,875 2,885 1,886 11.5,889 4,891 3,893 18.417,894 11.043,895 7.611,896 3.686,898 1.805,899 1.243,900 0.94,901 9.739,902 9.241,903 3.85,904 4.382,905 4.783,906 5.143,907 5.585,908 5.657,909 5.715,910 5.473,911 5.575,912 5.792,913 0.917,914 51,915 12.922,917 5.704,918 8.074,919 23.611,921 18.937,924 2.574,925 87.528,929 317.82,930 142.611,931 4.643,932 39.149,933 127.602,935 5.807,936 136.804,937 484.571,938 4.643,939 8.825,940 27.859,941 81.617,942 106.499,943 50.056,945 317.82,946 39.149,947 317.82,948 141.447,949 127.602,950 44.956,952 282.506,953 162.916,956 38.203,957 103.244,958 44.956,960 317.82,961 132.245,962 181.76,964 5.807,965 317.82,966 52.169,967 89.278,969 166.751,970 317.82,971 132.245,972 181.76,973 0.578,974 0.328,975 0.156,976 0.084,977 20,978 10,979 0.175,980 11,982 1,983 4.617,984 285.003,986 18,987 158.974,992 1,993 26.449,994 12.519,995 7.678,997 132.245,998 12.978,1003 1.93,1006 631.825,1007 46,1011 -3.662,1013 49.766,1017 -0.924,1020 62.382,1021 68.724,1022 0.298,1023 0.587,1024 0.76,1025 0.832,1026 0.838,1027 0.849,1028 5.088,1029 1.545,1030 5.964,1031 5.773,1032 4.595,1033 5.069,1034 3.099,1035 6.77,1036 4.457,1037 6.287,1038 1.261,1039 7.536,1040 4.142,1041 4.29,1042 5.094,1043 2.619,1044 7.966,1045 4.048,1046 7.613,1047 1.154,1048 9.231,1049 3.338,1050 6.229,1051 7.271,1052 4.306,1053 11.003,1054 5.944,1055 8.983,1056 1.012,1057 11.009,1058 2.505,1059 6.77,1060 8.154,1061 4.576,1062 13.144,1063 6.369,1064 10.396,1065 1,1066 12.847,1067 2.275,1068 8.219,1069 9.892,1070 5.838,1071 15.845,1072 7.772,1073 11.841,1074 1,1075 14.731,1076 2.275,1077 9.145,1078 11.146,1079 6.41,1080 18.313,1081 8.579,1082 13.312,1083 1,1084 16.65,1085 2.275,1086 10.432,1087 12.752,1088 7.49,1089 20.944,1090 9.803,1091 3.512,1092 0.399,1093 18.598,1094 1.848,1095 11.535,1096 14.173,1097 8.209,1098 23.512,1099 10.793,1100 2.789,1101 13.611,1102 20.568,1103 0.881,1104 12.777,1105 15.74,1106 9.201,1107 26.128,1108 11.956,1109 2.659,1110 8.569,1111 22.555,1112 4.758,1113 13.961,1114 17.235,1115 9.999,1116 28.725,1117 13.033,1118 2.443,1119 7.386,1120 24.554,1121 3.636,1122 15.197,1123 18.792,1124 10.946,1125 31.337,1126 14.182,1127 2.359,1128 6.783,1129 26.562,1130 3.411,1131 16.417,1132 20.322,1133 11.788,1134 33.943,1135 15.301,1136 2.195,1137 6.387,1138 28.578,1139 3.117,1140 17.657,1141 21.877,1142 12.713,1143 36.555,1144 16.45,1145 1.998,1146 6.066,1147 30.599,1148 2.818,1149 18.895,1150 23.423,1151 13.581,1152 39.164,1153 17.59,1154 19256,1155 35486,1156 23.345,1157 40.597,1158 52.927,1159 55.852,1160 54.814,1161 52.951,1162 52.713,1163 66.185,1164 15.118,1165 148.349,1166 49.141,1167 5.931,1168 6.725,1169 7.437,1170 5.525,1171 5.512,1172 7.758,1173 4.29,1174 21.573,1175 5.212,1176 19.799,1177 1.47,1178 1.551,1179 1.523,1180 1.471,1181 1.464,1182 1.838,1183 0.42,1184 4.121,1185 1.365,1186 4.098,1187 4.085,1188 4.743,1189 4.077,1190 7.715,1191 3.989,1192 3.914,1193 3.929,1194 3.927,1195 3.819,1196 7.436,1197 3.823,1198 3.809,1199 3.855,1200 3.857,1201 3.658,1202 7.424,1203 3.655,1204 3.666,1205 3.679,1206 3.709,1207 3.489,1208 6.999,1209 3.481,1210 3.556,1211 3.559,1212 3.529,1213 3.397,1214 4.933,1215 3.378,1216 3.459,1217 3.52,1218 3.295,1219 3.255,1220 4.905,1221 3.245,1222 3.321,1223 3.342,1224 3.227,1225 3.115,1226 4.553,1227 3.116,1228 3.111,1229 3.206,1230 3.138,1231 2.941,1232 4.393,1233 2.91,1234 0.137,1235 0.131,1236 0.213,1237 0.123,1238 0.098,1239 4.931,1240 0.132,1241 4.725,1242 0.069,1243 7.666,1244 0.378,1245 4.434,1246 0.089,1247 3.512,1248 4.758,1249 2.467,1250 13.611,1251 3.212,1252 1.967,1253 1.976,1254 1.983,1255 2.067,1256 1.324,1257 2.096,1258 1.87,1259 1.853,1260 1.977,1261 1.991,1262 1.111,1263 1.987,1264 1.755,1265 1.703,1266 1.924,1267 1.932,1268 1.084,1269 1.938,1270 1.569,1271 1.541,1272 1.799,1273 1.807,1274 1.011,1275 1.797,1276 1.454,1277 1.415,1278 1.764,1279 1.692,1280 0.916,1281 1.719,1282 1.401,1283 1.376,1284 1.549,1285 1.611,1286 0.825,1287 1.618,1288 1.223,1289 1.206,1290 1.513,1291 1.425,1292 0.74,1293 1.457,1294 1.153,1295 1.064,1296 1.181,1297 1.376,1298 0.535,1299 1.429,1300 4.29,1302 5.595,1304 7.091,1306 8.671,1308 10.295,1310 1.897,1311 5.825,1315 1.014,1318 15.896,1321 2.807,1326 38.909,1327 107.7,1328 212.309,1329 275.02,1330 301.02,1331 303.02,1332 307.02,1333 106.92,1334 7.437,1335 102.45,1336 110.83,1337 18,1338 12.5,1339 4.087,1340 3.459,1341 68.136,1342 200,1343 220,1344 0.16,1345 246.821,1346 443.71,1347 594.003,1348 20035,1349 1.6,1350 24.554,1351 0.722,1352 0.6,1353 25.304,1354 20.386,1355 16.29,1356 0.453,1357 0.352,1358 10.785,1359 14.339,1360 10.433,1361 8.544,1362 17.367,1363 12.659,1364 14.656,1365 0.299,1366 0.2,1367 16.383,1368 9.777,1369 11.784,1370 0.196,1371 0.121,1372 13.414,1373 7.274,1374 8.669,1375 0.127,1376 0.071,1377 9.913,1378 4.838,1379 6.66,1380 0.081,1381 0.042,1382 7.818,1383 3.437,1384 0.267,1385 114.809,1386 0.207,1387 32.773,1388 0.4,1389 170,1390 638.503,1391 249.711,1392 635.884,1393 827.2,1394 588,1395 194,1396 527.35,1397 274.441,1398 566.451,1399 824.64,1400 532,1401 4.733}
{0 CHEMBL1506351,1 1.673,2 10.724,3 2.321,4 5.388,5 100.167,6 9.171,7 0.375,8 3.909,9 3.98,10 3.632,11 3.477,12 5.223,13 3.505,14 4.405,15 4.503,16 3.985,17 3.835,18 5.858,19 3.853,20 4.638,21 4.772,22 4.156,23 3.958,24 6.053,25 3.997,26 4.701,27 4.796,28 4.257,29 3.914,30 6.289,31 4.007,32 4.707,33 4.779,34 4.219,35 3.786,36 6.669,37 3.895,38 4.52,39 4.651,40 3.927,41 3.637,42 6.219,43 3.698,44 4.397,45 4.515,46 3.829,47 3.526,48 6.046,49 3.594,50 4.323,51 4.446,52 3.658,53 3.394,54 6.04,55 3.453,56 0.257,57 0.592,58 5.085,59 3.791,60 33.797,61 3.654,62 0.594,63 0.925,64 10.756,65 6.381,66 92.182,67 6.431,68 0.777,69 1.142,70 17.255,71 7.844,72 117.3,73 8.154,74 0.933,75 1.131,76 17.331,77 7.956,78 149.833,79 6.907,80 1.562,81 1.055,82 18.425,83 7.409,84 297.22,85 5.72,86 1.058,87 0.93,88 17.466,89 6.562,90 187.529,91 6.323,92 0.831,93 0.843,94 13.765,95 5.679,96 138.765,97 5.125,98 0.906,99 0.754,100 13.931,101 5.12,102 164.982,103 4.327,104 38,105 47,106 0.286,107 0.623,108 0.735,109 0.799,110 0.839,111 0.847,112 3.409,113 0.829,114 -3.43,115 -3.41,116 -3.26,120 46.5,122 2,126 1,128 1,143 6,144 5,145 1,158 2,159 2,167 2,174 11,176 2,177 8,180 1,182 2,185 12,188 1,189 15,192 1,197 10,200 3,201 19,209 8,213 9,214 15,217 1,219 1,222 8,226 4,227 9,232 1,235 5,239 3,240 13,243 1,245 2,247 4,251 2,252 7,255 2,257 1,260 2,263 1,264 5,267 1,269 1,271 4,274 1365,275 19.259,276 19.259,277 19.259,278 19.259,279 19.259,280 17.147,281 17.292,282 11.03,283 19.385,284 15.73,285 15.73,286 15.73,287 15.73,288 15.73,289 12.239,290 19.888,291 5.166,292 15.855,293 3.753,294 1.774,295 1.122,296 0.744,297 0.512,298 0.465,299 4.09,306 1,307 1,308 677,309 4.062,310 53.446,313 194.58,317 215.016,320 1.665,321 65.141,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 66,333 311,334 4.774,335 3.928,336 7.192,337 4.424,338 3.417,339 4.516,340 2.612,341 12.612,342 3.44,343 4.368,344 3.719,345 6.642,346 3.984,347 2.988,348 3.997,349 2.061,350 10.534,351 2.967,352 3.86,353 3.664,354 6.008,355 3.704,356 2.729,357 3.296,358 1.622,359 8.314,360 2.656,361 3.811,362 3.535,363 5.913,364 3.439,365 2.451,366 3.191,367 0.313,368 7.859,369 2.479,370 3.777,371 3.371,372 5.595,373 3.437,374 2.405,375 2.939,377 7.695,378 2.415,379 3.638,380 2.676,381 5.371,382 3.172,383 2.165,384 2.925,386 6.204,387 2.166,388 3.386,389 2.599,390 4.868,391 3.071,392 2.069,393 2.444,395 5.592,396 2.056,397 3.03,398 2.255,399 4.259,400 2.524,401 1.52,402 2.213,404 3.685,405 1.521,406 2.817,407 1.799,408 4.183,409 2.335,410 1.352,411 1.89,413 3.225,414 1.318,415 2.748,416 1.702,417 3.916,418 2.206,419 1.209,420 1.815,422 3.138,423 1.203,424 2.453,425 1.447,426 3.55,427 1.891,428 0.869,429 1.336,431 2.093,432 0.883,433 2.289,434 1.35,435 3.482,436 1.675,437 0.619,438 0.95,440 1.565,441 0.64,442 1.733,443 1.261,444 3.141,445 1.436,446 0.468,447 0.553,449 1.132,450 0.449,451 1.307,452 1,453 2.802,454 1.059,455 0.067,456 0.077,458 0.153,459 0.065,460 1.072,461 0.79,462 2.732,463 0.643,464 -0.372,465 -0.477,467 -1.001,468 -0.374,469 13.133,470 0.453,471 0.878,472 0.03,473 39.75,474 1.371,475 21,476 0.724,477 18.75,478 0.647,479 20.701,480 0.714,481 30.667,482 0.713,483 35.575,484 1.227,485 7.95,486 0.274,487 5.93,488 0.204,489 0.152,491 0.449,496 0.512,497 0.985,498 0.578,499 0.912,500 0.508,501 0.812,502 0.593,503 1.084,504 0.744,505 1.039,506 0.504,507 0.979,508 0.81,509 0.913,510 0.694,511 0.883,512 0.795,513 0.768,514 1.26,515 1.106,516 0.829,517 1.077,518 1.293,519 0.865,520 1.286,521 0.996,522 1.065,523 0.983,524 1.3,525 0.954,526 1.101,527 0.966,528 0.946,529 0.894,530 0.955,531 0.861,532 1.176,533 1.082,534 1.038,535 1.082,536 1.246,537 1.023,538 1.374,539 0.939,540 1.255,541 0.923,542 1.38,543 1.005,544 5.5,545 0.161,546 3.833,547 2.903,548 2.903,549 1.476,550 0.797,551 0.524,552 0.279,553 0.208,554 10119,555 34727,556 2.049,557 32.6,559 9,562 1,564 4,567 1.724,568 1.871,569 3.338,570 -0.268,571 1,572 1,575 71.936,576 1.673,577 3.652,578 4.304,579 4.682,580 4.915,581 4.961,582 2.889,583 4.418,584 4.823,585 3.524,586 1430.78,587 8.429,588 18585.7,590 1,592 1,593 233.329,594 1.528,595 4.765,596 0.172,597 0.008,598 0.087,599 0.056,600 0.053,601 0.03,602 0.021,603 0.015,604 0.01,605 0.009,606 0.461,607 0.33,608 1,609 0.805,610 145.014,611 0.073,612 0.117,613 0.033,614 0.076,615 0.001,616 0.044,617 0.123,618 -0.053,619 0.017,620 -0.042,621 0.112,622 -0.055,623 -0.003,624 0.107,625 0.202,626 0.101,627 -0.029,628 0.208,629 -0.164,630 -0.128,631 0.078,632 -0.114,633 -0.182,634 0.022,635 0.126,636 -0.046,637 -0.093,638 -0.047,639 0.157,640 -0.131,641 0.022,642 -0.002,643 0.086,644 0.068,645 0.099,646 0.099,647 -0.065,648 -0.085,649 -0.066,650 -0.14,651 -0.097,652 -0.114,653 -0.148,654 0.041,655 -0.227,656 0.014,657 -0.089,658 -0.096,659 2.89,660 5.875,661 0.586,662 27.455,663 1.042,664 1.115,665 2.199,666 4.836,667 0.692,668 3.497,669 3.871,670 4.159,671 4.477,672 4.762,673 4.852,674 5.024,675 5.153,676 5.257,677 5.22,678 6.246,679 0.702,680 394.36,681 3.497,682 5.069,683 5.953,684 6.868,685 7.775,686 8.696,687 9.613,688 10.537,689 11.46,690 12.387,691 4.7,698 1,702 1,709 6,714 6,716 12,721 2,726 1,731 1,738 43,739 18,740 2,741 32,743 46,744 20,745 12,746 6,747 6,748 3,752 4,753 7,763 3,766 3,768 16,769 4,772 6,775 1,778 6,782 4,786 1,789 14,790 8,791 1,792 9,797 2,803 0.5,804 7,820 1,823 3,827 2,838 1,855 2,862 29,869 3,871 1,872 1,874 1,886 16.3,889 4,891 1,892 2,893 15.5,894 7.95,895 6.278,896 2.603,898 2.821,899 1.366,900 0.979,901 4.73,902 10.525,903 3.807,904 4.407,905 4.98,906 5.588,907 6.181,908 6.482,909 6.927,910 7.27,911 7.674,912 7.887,913 1,914 52,915 10.976,917 5.181,918 8.414,919 19.446,921 16.446,924 2.914,925 84.5,928 1,929 153.024,930 107.366,931 23.681,933 162.327,936 107.366,937 315.351,938 23.681,939 5.67,940 27.672,941 56.857,942 122.743,943 29.685,945 153.024,946 50.747,947 153.024,948 131.047,949 162.327,952 105.94,953 158.664,954 50.747,956 27.672,957 97.705,958 5.67,960 153.024,961 186.007,962 107.366,965 153.024,966 50.509,967 62.528,968 18.011,969 162.327,970 153.024,971 186.007,972 107.366,973 0.595,974 0.345,975 0.195,976 0.112,977 24,978 12,979 0.13,980 6,981 2,982 1.235,983 3.908,984 268.586,985 0.235,986 17,987 136.881,993 18.975,994 7.228,995 3.55,997 180.337,998 8.246,1003 -1.718,1005 18.011,1006 446.398,1007 44,1010 -0.89,1013 73.067,1017 -2.892,1020 44.796,1021 47.954,1022 0.308,1023 0.673,1024 0.793,1025 0.863,1026 0.906,1027 0.914,1028 5.075,1029 1.52,1030 5.974,1031 5.592,1032 4.554,1033 5.094,1034 3.22,1035 6.866,1036 4.545,1037 6.316,1038 1.352,1039 7.59,1040 3.685,1041 4.369,1042 5.112,1043 2.675,1044 7.98,1045 4.38,1046 7.656,1047 1.209,1048 9.31,1049 3.225,1050 6.236,1051 7.309,1052 4.64,1053 11.12,1054 6.221,1055 9.029,1056 0.869,1057 11.09,1058 3.138,1059 6.815,1060 8.109,1061 4.738,1062 13.041,1063 6.822,1064 10.434,1065 0.619,1066 12.907,1067 2.093,1068 8.226,1069 9.851,1070 6.254,1071 15.756,1072 8.215,1073 11.861,1074 0.468,1075 14.751,1076 1.565,1077 9.142,1078 11.01,1079 6.707,1080 18.018,1081 9.151,1082 13.308,1083 0.067,1084 16.615,1085 1.132,1086 10.398,1087 12.59,1088 7.982,1089 20.597,1090 10.4,1091 3.417,1092 -0.372,1093 18.494,1094 0.153,1095 11.469,1096 13.92,1097 8.645,1098 23.007,1099 11.487,1100 2.988,1101 12.612,1102 20.386,1103 -1.001,1104 12.677,1105 15.44,1106 9.783,1107 25.543,1108 12.696,1109 2.729,1110 10.534,1111 22.289,1112 4.516,1113 13.821,1114 16.853,1115 10.571,1116 28.018,1117 13.853,1118 2.451,1119 8.314,1120 24.2,1121 3.997,1122 15.02,1123 18.353,1124 11.631,1125 30.543,1126 15.058,1127 2.405,1128 7.859,1129 26.119,1130 3.296,1131 16.199,1132 19.806,1133 12.492,1134 33.046,1135 16.249,1136 2.165,1137 7.695,1138 28.045,1139 3.191,1140 17.4,1141 21.3,1142 13.509,1143 35.57,1144 17.458,1145 2.069,1146 6.204,1147 29.976,1148 2.939,1149 18.597,1150 22.775,1151 14.412,1152 38.086,1153 18.666,1154 9651,1155 18055,1156 20.808,1157 29.761,1158 49.618,1159 54.066,1160 51.868,1161 48.625,1162 48.659,1163 64.285,1164 13.217,1165 147.602,1166 48.514,1167 5.749,1168 5.928,1169 6.871,1170 5.505,1171 5.417,1172 7.516,1173 4.612,1174 20.612,1175 5.44,1176 16.426,1177 1.551,1178 1.69,1179 1.621,1180 1.52,1181 1.521,1182 2.009,1183 0.413,1184 4.613,1185 1.516,1186 4.114,1187 4.122,1188 4.097,1189 4.035,1190 7.815,1191 4.045,1192 3.902,1193 3.957,1194 3.816,1195 3.764,1196 7.44,1197 3.763,1198 3.847,1199 3.866,1200 3.784,1201 3.747,1202 7.431,1203 3.749,1204 3.545,1205 3.558,1206 3.498,1207 3.295,1208 7.425,1209 3.332,1210 3.493,1211 3.511,1212 3.439,1213 3.152,1214 7.419,1215 3.208,1216 3.284,1217 3.288,1218 3.236,1219 3.083,1220 6.999,1221 3.122,1222 3.155,1223 3.143,1224 3.132,1225 2.874,1226 4.706,1227 2.949,1228 2.995,1229 3.002,1230 2.933,1231 2.754,1232 4.554,1233 2.796,1234 0.149,1235 0.123,1236 0.225,1237 0.138,1238 0.107,1239 4.774,1240 0.141,1241 3.928,1242 0.082,1243 7.192,1244 0.394,1245 4.424,1246 0.108,1247 3.417,1248 4.516,1249 2.612,1250 12.612,1251 3.44,1252 2.047,1253 2.04,1254 2.096,1255 2.15,1256 1.248,1257 2.123,1258 1.806,1259 1.787,1260 1.898,1261 1.944,1262 1.006,1263 1.919,1264 1.503,1265 1.47,1266 1.674,1267 1.794,1268 0.862,1269 1.75,1270 1.268,1271 1.256,1272 1.513,1273 1.656,1274 0.825,1275 1.559,1276 1.201,1277 1.181,1278 1.409,1279 1.469,1280 0.673,1281 1.433,1282 1.153,1283 1.064,1284 1.307,1285 1.376,1286 0.378,1287 1.429,1288 1.088,1289 1.036,1290 1.299,1291 1.309,1292 0.289,1293 1.31,1294 0.992,1295 0.971,1296 1.164,1297 1.245,1298 0.163,1299 1.204,1300 4.174,1301 1.946,1302 5.533,1303 3.714,1304 7.099,1305 5.416,1306 8.77,1307 7.101,1308 10.503,1315 1.112,1317 2.623,1318 4.88,1320 0.072,1326 30.207,1327 71.936,1328 157.049,1329 185.065,1330 201.329,1331 211.329,1332 213.329,1333 92.531,1334 7.704,1335 135.36,1336 135.36,1337 21,1338 12.892,1339 4.248,1340 3.7,1341 44.57,1342 105,1343 127,1344 0.206,1345 182.405,1346 337.81,1347 436.827,1348 22324,1350 20.706,1351 0.714,1352 0.516,1353 20.706,1354 14.968,1355 13.88,1356 0.434,1357 0.276,1358 8.694,1359 13.181,1360 8.589,1361 7.023,1362 13.88,1363 8.845,1364 12.973,1365 0.276,1366 0.144,1367 12.973,1368 6.763,1369 10.534,1370 0.167,1371 0.071,1372 10.534,1373 4.457,1374 9.078,1375 0.104,1376 0.036,1377 9.078,1378 3.146,1379 7.826,1380 0.067,1381 0.019,1382 7.826,1383 2.161,1384 0.316,1385 88.804,1386 0.219,1387 27.198,1388 0.586,1389 158,1390 616.127,1391 178.52,1392 575.198,1393 750.06,1394 528,1395 192,1396 529.337,1397 212.11,1398 524.553,1399 774.08,1400 492,1401 4.77}
{0 CHEMBL1506503,1 1.722,2 10.48,3 4.37,4 19.093,5 102.846,6 8.988,7 0.593,8 3.806,9 3.904,10 3.625,11 3.508,12 5.002,13 3.431,14 4.291,15 4.441,16 4.038,17 3.869,18 5.414,19 3.771,20 4.428,21 4.57,22 4.103,23 3.966,24 5.621,25 3.862,26 4.517,27 4.688,28 4.032,29 3.961,30 5.718,31 3.811,32 4.53,33 4.76,34 3.812,35 3.809,36 5.658,37 3.624,38 4.278,39 4.485,40 3.594,41 3.586,42 5.527,43 3.468,44 4.218,45 4.426,46 3.643,47 3.474,48 5.631,49 3.384,50 4.138,51 4.34,52 3.525,53 3.446,54 5.345,55 3.308,56 0.022,57 0.596,58 6.552,59 3.684,60 8.084,61 4.206,62 0.171,63 1.001,64 17.453,65 6.911,66 17.814,67 7.902,68 0.204,69 1.137,70 18.664,71 7.532,72 29.073,73 7.65,74 0.229,75 1.245,76 21.722,77 8.755,78 31.798,79 9.521,80 0.33,81 1.257,82 34.507,83 10.695,84 48.113,85 10.864,86 0.156,87 0.924,88 18.409,89 6.868,90 41.224,91 7.548,92 0.252,93 0.852,94 15.974,95 6.095,96 63.292,97 6.96,98 0.291,99 0.8,100 17.763,101 6.111,102 52.233,103 5.706,104 27,105 38,106 0.299,107 0.665,108 0.751,109 0.828,110 0.862,111 0.862,112 3.266,113 1.051,114 -3.7,115 -3.66,116 -3.49,120 43.9,121 3,126 1,143 4,144 3,147 2,148 1,153 1,159 2,163 1,174 7,177 7,180 2,182 1,185 9,189 6,194 1,197 8,200 2,201 6,206 2,209 6,213 1,214 3,217 1,219 3,222 2,227 4,232 1,239 2,240 7,243 1,245 3,247 3,252 2,257 1,260 3,263 1,264 6,271 5,274 855,275 16.662,276 16.662,277 16.662,278 16.662,279 16.662,280 14.369,281 13.968,282 9.654,283 17.183,284 13.218,285 13.218,286 13.218,287 13.218,288 13.218,289 9.685,290 15.548,291 4.477,292 14.125,293 3.636,294 1.532,295 1.037,296 0.592,297 0.397,298 0.397,299 3.943,306 1,307 1,308 558,309 3.317,312 57.262,313 165.005,316 111.774,320 1.542,321 23.559,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 53,333 262,334 4.549,335 4.508,336 6.694,337 4.129,338 3.158,339 4.402,340 3.359,341 10.658,342 3.073,343 4.461,344 4.047,345 6.247,346 3.901,347 2.991,348 4.281,349 2.035,350 9.492,351 2.728,352 3.803,353 3.585,354 5.824,355 3.426,356 2.469,357 3.133,358 1.737,359 7.641,360 2.354,361 3.729,362 3.146,363 5.348,364 3.315,365 2.345,366 3.009,367 0.146,368 6.894,369 2.272,370 3.424,371 2.982,372 5.179,373 2.958,374 2.04,375 2.676,377 6.004,378 1.854,379 3.285,380 2.583,381 4.717,382 2.796,383 1.858,384 2.534,386 5.128,387 1.709,388 3.134,389 2.313,390 4.414,391 2.461,392 1.532,393 2.298,395 4.312,396 1.407,397 3.032,398 2.16,399 3.825,400 2.332,401 1.36,402 1.974,404 2.953,405 1.311,406 2.829,407 1.532,408 3.601,409 1.981,410 1.074,411 1.529,413 2.491,414 0.955,415 1.997,416 1.494,417 3.202,418 1.502,419 0.585,420 0.757,422 1.167,423 0.524,424 1.847,425 1.395,426 3.006,427 1.247,428 0.347,429 0.521,431 0.86,432 0.305,433 1.466,434 0.895,435 3,436 1.227,437 0.315,438 0.344,440 0.719,441 0.284,442 1.346,443 0.51,444 2.501,445 0.727,446 -0.216,447 -0.343,449 -0.37,450 -0.203,451 1.077,452 0.347,453 2.444,454 0.644,455 -0.302,456 -0.38,458 -0.804,459 -0.277,460 0.645,461 0.233,462 2,463 0.208,464 -0.731,465 -0.903,467 -1.791,468 -0.652,469 12.6,470 0.504,471 0.682,472 0.027,473 35,474 1.4,475 19.5,476 0.78,477 15.5,478 0.62,479 21.073,480 0.843,481 25.2,482 0.615,483 22.616,484 0.905,485 6.428,486 0.257,487 5.563,488 0.223,489 0.177,491 0.357,496 0.691,497 1.049,498 0.705,499 0.806,500 0.521,501 0.813,502 0.478,503 1.039,504 0.835,505 0.967,506 0.464,507 0.781,508 1.272,509 1.101,510 1.041,511 1.009,512 1.069,513 0.945,514 0.819,515 1.225,516 1.144,517 1.239,518 0.773,519 1.233,520 1.033,521 1.029,522 1.328,523 1.228,524 1.096,525 1.078,526 1.3,527 1.063,528 1.008,529 1.028,530 1.551,531 1.023,532 1.351,533 0.892,534 0.674,535 0.79,536 1.6,537 0.836,538 2.364,539 0.813,540 1.19,541 0.78,542 2.221,543 0.804,544 5.5,545 0.18,546 3.111,547 2.354,548 1.498,549 0.726,550 0.489,551 0.256,552 0.213,553 0.181,554 7364,555 21970,556 2.015,557 39,558 6,559 6,562 1,563 3,567 1.677,568 1.852,569 3.343,570 -0.277,572 1,575 70.601,576 1.722,577 3.826,578 4.32,579 4.766,580 4.961,581 4.961,582 2.699,583 4.244,584 4.622,585 3.539,586 1061.62,587 7.969,588 13267.7,590 1,592 1,593 219.66,594 1.516,595 4.555,596 0.204,597 0.009,598 0.082,599 0.06,600 0.045,601 0.028,602 0.02,603 0.011,604 0.011,605 0.009,606 0.479,607 0.33,608 1,609 0.836,610 121.909,611 -0.045,612 -0.043,613 0.056,614 0.059,615 -0.013,616 0.034,617 0.288,618 -0.03,619 0.185,620 0.056,621 0.089,622 0.169,623 -0.178,624 -0.054,625 -0.042,626 -0.017,627 -0.136,628 -0.053,629 0.076,630 -0.201,631 -0.107,632 -0.224,633 0.044,634 -0.29,635 0.027,636 -0.005,637 -0.089,638 -0.093,639 -0.026,640 -0.04,641 -0.116,642 -0.091,643 -0.061,644 -0.085,645 -0.079,646 -0.06,647 0.207,648 0.046,649 0.205,650 0.099,651 0.22,652 0.114,653 -0.518,654 0.2,655 -0.061,656 0.274,657 -0.388,658 0.152,659 1.828,660 5.223,661 0.6,662 19.808,663 1.005,664 1.111,665 2.466,666 6.08,667 0.74,668 3.332,669 3.664,670 3.932,671 4.159,672 4.29,673 4.29,674 4.277,675 4.22,676 4.143,677 4.22,678 6.44,679 0.691,680 368.52,681 3.332,682 4.875,683 5.727,684 6.605,685 7.471,686 8.353,687 9.223,688 10.104,689 10.977,690 11.858,691 9.8,698 1,700 1,701 2,708 2,709 4,710 2,713 1,714 6,716 16,718 1,738 41,739 18,740 1,741 27,743 43,744 18,745 12,746 2,747 4,752 3,753 4,759 3,767 1,768 13,769 4,772 1,778 1,782 1,786 1,789 16,790 5,791 1,792 7,793 2,797 4,803 0.667,804 1,816 1,822 1,823 2,826 1,838 1,855 2,856 1,857 2,859 3,862 25,869 1,871 1,873 1,877 1,879 1,882 1,884 1,886 2.4,889 1,893 13.5,894 8.683,895 5.556,896 2.375,898 3.222,899 1.459,900 0.984,901 5.247,902 10.242,903 3.664,904 4.287,905 4.895,906 5.493,907 5.945,908 6.176,909 6.403,910 6.563,911 6.321,912 6.548,913 0.857,914 39,915 9.21,917 3.859,918 7.827,919 17.421,921 14,924 2.327,925 58.167,928 1,929 176.567,930 166.91,931 82.641,933 25.145,935 63.497,936 103.413,937 201.711,938 82.641,939 26.476,940 18.91,941 37.905,942 80.022,943 46.018,944 1.868,945 240.064,947 176.567,948 186.054,949 25.145,950 63.497,952 176.567,953 25.145,956 81.847,957 70.636,958 33.571,959 63.497,960 176.567,961 107.786,962 166.91,965 176.567,966 85.928,967 64.381,968 34.612,969 89.775,970 176.567,971 107.786,972 166.91,973 0.585,974 0.353,975 0.188,976 0.095,977 18,978 9,979 0.093,980 4,981 1,982 1.133,983 3.688,984 199.758,985 0.133,986 15,987 114.096,989 2,993 17.698,994 7.412,995 3.773,996 1.9,997 107.786,998 7.745,999 8.856,1002 1.441,1003 4.537,1005 18.011,1006 451.263,1007 38,1013 12.223,1017 -0.161,1020 41.189,1021 45.534,1022 0.321,1023 0.714,1024 0.806,1025 0.89,1026 0.926,1027 0.926,1028 4.905,1029 1.36,1030 5.727,1031 4.312,1032 4.344,1033 4.973,1034 3.604,1035 6.547,1036 4.219,1037 6.148,1038 1.074,1039 7.3,1040 2.953,1041 4.007,1042 4.902,1043 1.593,1044 7.459,1045 3.864,1046 7.476,1047 0.585,1048 8.972,1049 2.491,1050 5.953,1051 7.252,1052 5.694,1053 10.556,1054 5.724,1055 8.838,1056 0.347,1057 10.699,1058 1.167,1059 6.415,1060 7.999,1061 3.522,1062 12.267,1063 6.165,1064 10.229,1065 0.315,1066 12.461,1067 0.86,1068 7.85,1069 9.837,1070 7.995,1071 14.893,1072 7.533,1073 11.641,1074 -0.216,1075 14.247,1076 0.719,1077 8.675,1078 10.97,1079 5.91,1080 16.945,1081 8.331,1082 13.071,1083 -0.302,1084 16.051,1085 -0.37,1086 9.917,1087 12.6,1088 10.369,1089 19.404,1090 9.521,1091 3.158,1092 -0.731,1093 17.869,1094 -0.804,1095 10.908,1096 13.916,1097 8.482,1098 21.61,1099 10.481,1100 2.991,1101 10.658,1102 19.698,1103 -1.791,1104 12.076,1105 15.457,1106 12.77,1107 24.004,1108 11.608,1109 2.469,1110 9.492,1111 21.536,1112 4.402,1113 13.143,1114 16.857,1115 11.074,1116 26.283,1117 12.644,1118 2.345,1119 7.641,1120 23.381,1121 4.281,1122 14.285,1123 18.359,1124 15.179,1125 28.652,1126 13.751,1127 2.04,1128 6.894,1129 25.233,1130 3.133,1131 15.387,1132 19.797,1133 13.65,1134 30.966,1135 14.822,1136 1.858,1137 6.004,1138 27.09,1139 3.009,1140 16.52,1141 21.282,1142 17.591,1143 33.325,1144 15.925,1145 1.532,1146 5.128,1147 28.952,1148 2.676,1149 17.639,1150 22.738,1151 16.206,1152 35.659,1153 17.016,1154 7168,1155 12556,1156 17.512,1157 30.341,1158 41.336,1159 46.552,1160 42.558,1161 40.061,1162 40.148,1163 54.916,1164 14.556,1165 116.638,1166 37.55,1167 5.452,1168 6.508,1169 6.377,1170 5.283,1171 5.158,1172 7.402,1173 6.685,1174 18.158,1175 5.073,1176 14.131,1177 1.531,1178 1.724,1179 1.576,1180 1.484,1181 1.487,1182 2.034,1183 0.539,1184 4.32,1185 1.391,1186 4.052,1187 4.07,1188 4.319,1189 4.04,1190 7.429,1191 3.995,1192 3.956,1193 3.983,1194 4.054,1195 3.9,1196 6.82,1197 3.89,1198 3.581,1199 3.614,1200 3.665,1201 3.45,1202 4.974,1203 3.421,1204 3.339,1205 3.4,1206 3.466,1207 3.273,1208 4.792,1209 3.22,1210 3.27,1211 3.317,1212 3.255,1213 3.175,1214 4.338,1215 3.152,1216 3.171,1217 3.244,1218 3.14,1219 2.989,1220 4.038,1221 2.977,1222 3.012,1223 3.128,1224 2.929,1225 2.792,1226 3.904,1227 2.769,1228 2.884,1229 2.94,1230 2.847,1231 2.784,1232 3.759,1233 2.754,1234 0.168,1235 0.167,1236 0.248,1237 0.153,1238 0.117,1239 4.549,1240 0.163,1241 4.508,1242 0.124,1243 6.694,1244 0.395,1245 4.129,1246 0.114,1247 3.158,1248 4.402,1249 3.359,1250 10.658,1251 3.073,1252 1.92,1253 1.897,1254 2.01,1255 2.011,1256 1.179,1257 2.018,1258 1.898,1259 1.88,1260 1.98,1261 1.964,1262 1.1,1263 1.979,1264 1.521,1265 1.495,1266 1.629,1267 1.738,1268 0.85,1269 1.723,1270 1.33,1271 1.276,1272 1.605,1273 1.519,1274 0.7,1275 1.558,1276 1.233,1277 1.196,1278 1.525,1279 1.417,1280 0.581,1281 1.455,1282 1.139,1283 1.075,1284 1.328,1285 1.33,1286 0.449,1287 1.377,1288 1.043,1289 0.936,1290 1.237,1291 1.292,1292 0.336,1293 1.304,1294 0.917,1295 0.884,1296 1.056,1297 1.018,1298 0.183,1299 1.051,1300 4.007,1302 5.333,1303 2.398,1304 6.849,1305 4.727,1306 8.456,1307 6.823,1308 10.111,1310 5.773,1315 0.18,1317 2.817,1319 1.274,1324 9.383,1325 2.198,1326 28.335,1327 70.601,1328 156.851,1329 177.13,1330 195.395,1331 203.395,1332 203.395,1333 45.258,1334 7.02,1335 78.67,1336 132.21,1337 17,1338 12.395,1339 4.248,1340 3.585,1341 41.994,1342 99,1343 77,1344 0.208,1345 185.414,1346 313.59,1347 444.169,1348 10505,1350 17.974,1351 0.719,1352 0.629,1353 18.681,1354 15.716,1355 11.99,1356 0.444,1357 0.35,1358 7.744,1359 10.801,1360 7.237,1361 6.059,1362 12.853,1363 9.456,1364 10.824,1365 0.285,1366 0.199,1367 12.043,1368 7.557,1369 9.258,1370 0.185,1371 0.118,1372 10.762,1373 5.883,1374 7.477,1375 0.119,1376 0.066,1377 9.167,1378 4.129,1379 5.476,1380 0.076,1381 0.038,1382 6.975,1383 2.715,1384 0.332,1385 82.722,1386 0.239,1387 24.481,1388 0.557,1389 130,1390 392.725,1391 188.699,1392 431.024,1393 585.16,1394 402,1395 153,1396 396.732,1397 204.357,1398 434.989,1399 634,1400 407,1401 6.796}
{0 CHEMBL1506505,1 1.742,2 9.5,3 3.249,4 10.555,5 82.514,6 10.258,7 0.462,8 3.655,9 3.702,10 3.462,11 3.166,12 5.109,13 3.233,14 4.093,15 4.133,16 3.836,17 3.516,18 5.813,19 3.593,20 4.32,21 4.414,22 3.877,23 3.588,24 5.77,25 3.667,26 4.347,27 4.445,28 3.795,29 3.474,30 5.924,31 3.556,32 4.171,33 4.282,34 3.684,35 3.346,36 5.723,37 3.425,38 4.117,39 4.197,40 3.675,41 3.22,42 6.139,43 3.321,44 3.925,45 4.051,46 3.36,47 3.101,48 5.376,49 3.167,50 3.798,51 3.882,52 3.386,53 2.971,54 5.486,55 3.086,56 0.331,57 0.447,58 2.255,59 2.586,60 32.321,61 2.064,62 0.653,63 0.649,64 3.886,65 4.288,66 96.001,67 3.317,68 0.838,69 0.802,70 8.477,71 5.274,72 87.806,73 4.106,74 1.12,75 0.774,76 10.691,77 5.315,78 134.108,79 3.93,80 0.791,81 0.672,82 8.96,83 4.473,84 111.412,85 3.97,86 1.011,87 0.592,88 8.406,89 4.098,90 159.939,91 3.459,92 0.643,93 0.52,94 8.011,95 3.607,96 94.111,97 3.146,98 0.601,99 0.458,100 5.454,101 2.841,102 71.357,103 2.065,104 30,105 37,106 0.315,107 0.564,108 0.738,109 0.849,110 0.883,111 0.883,112 3.229,113 0.76,114 -4.47,115 -4.4,116 -4.15,120 46.9,136 2,143 6,144 1,145 5,159 1,167 4,174 5,176 3,177 10,185 6,188 1,189 14,197 5,200 4,201 9,209 4,213 5,214 6,222 5,226 7,227 8,235 3,239 1,240 7,247 3,251 2,252 9,260 3,263 2,264 8,271 2,274 764,275 15.74,276 15.74,277 15.74,278 15.74,279 15.74,280 13.423,281 20.029,282 9.101,283 16.056,284 12.817,285 12.817,286 12.817,287 12.817,288 12.817,289 9.221,290 25.835,291 4.318,292 13.324,293 3.258,294 1.883,295 0.922,296 0.313,297 0.125,298 0.125,299 3.907,305 1,306 1,307 1,308 482,309 3.24,313 201.852,317 105.568,320 1.417,321 46.591,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 56,333 228,334 4.472,335 3.837,336 6.462,337 4.014,338 3.056,339 4.219,340 2.612,341 10.007,342 2.924,343 4.322,344 3.752,345 6.21,346 3.908,347 2.942,348 3.967,349 2.612,350 9.331,351 2.839,352 4.083,353 3.625,354 5.852,355 3.536,356 2.58,357 3.685,358 1.674,359 7.927,360 2.461,361 3.744,362 3.1,363 5.333,364 3.303,365 2.345,366 3.099,367 0.86,368 6.822,369 2.238,370 3.526,371 2.823,372 4.958,373 3.061,374 2.079,375 2.861,377 5.799,378 2.013,379 3.346,380 2.35,381 4.779,382 2.787,383 1.813,384 2.61,386 4.994,387 1.759,388 2.983,389 1.883,390 4.38,391 2.523,392 1.564,393 2.11,395 4.25,396 1.489,397 2.909,398 1.817,399 3.841,400 2.23,401 1.243,402 2.013,404 2.989,405 1.224,406 2.608,407 1.36,408 3.595,409 2,410 1,411 1.596,413 2.414,414 1,415 2.414,416 1,417 3.3,418 1.777,419 0.793,420 1.179,422 1.859,423 0.775,424 1.537,425 1,426 3,427 1.101,428 0.172,429 0.222,431 0.456,432 0.158,433 1.279,434 0.989,435 2.44,436 0.777,437 -0.227,438 -0.336,440 -0.54,441 -0.224,442 1,443 0.751,444 2.321,445 0.536,446 -0.41,447 -0.51,449 -1.12,450 -0.384,451 1,452 0.572,453 2.284,454 0.177,455 -0.809,456 -1.053,458 -2,459 -0.792,460 0.935,461 -0.067,462 2.253,463 0.074,464 -0.897,465 -1.184,467 -2,468 -0.854,469 10.633,470 0.443,471 0.736,472 0.031,473 37.75,474 1.573,475 22,476 0.917,477 15.75,478 0.656,479 12.628,480 0.526,481 25.367,482 0.793,483 29.259,484 1.219,485 7.721,486 0.322,487 3.714,488 0.155,489 0.157,491 0.404,496 0.484,497 0.885,498 0.494,499 0.869,500 0.536,501 0.783,502 0.616,503 1.162,504 0.634,505 1.156,506 0.411,507 1.02,508 1.029,509 1.091,510 0.983,511 1.102,512 0.653,513 1.044,514 1.151,515 0.929,516 1.242,517 0.979,518 1.08,519 1.092,520 0.938,521 0.93,522 0.972,523 0.999,524 1.116,525 1.019,526 0.728,527 0.931,528 0.925,529 0.954,530 0.692,531 1.022,532 1.103,533 0.962,534 1.083,535 0.936,536 1.072,537 0.972,538 1.063,539 1.138,540 0.975,541 1.012,542 1.047,543 0.951,544 6,545 0.12,546 2.889,547 1.563,548 1.64,549 1.042,550 0.444,551 0.377,552 0.259,553 0.213,554 6026,555 27146,556 2.015,557 25,559 8,567 1.67,568 1.846,569 3.247,570 -0.617,572 1,574 1,575 55.745,576 1.742,577 3.117,578 4.078,579 4.688,580 4.875,581 4.875,582 2.669,583 3.97,584 4.558,585 3.397,586 937.49,587 7.87,588 10938.7,589 1,590 1,591 1,592 1,593 160,594 1.528,595 4.493,596 0.231,597 0.01,598 0.078,599 0.041,600 0.05,601 0.035,602 0.016,603 0.017,604 0.012,605 0.012,606 0.501,607 0.17,608 1,609 0.961,610 113.605,611 0.181,612 0.21,613 0.063,614 0.081,615 -0.014,616 0.003,617 0.162,618 -0.175,619 0.026,620 -0.17,621 0.24,622 -0.172,623 -0.186,624 -0.11,625 -0.084,626 -0.124,627 -0.031,628 -0.065,629 -0.14,630 0.011,631 -0.204,632 0.001,633 -0.169,634 -0.083,635 -0.027,636 0.048,637 0.057,638 -0.025,639 -0.174,640 0.016,641 0.348,642 -0.001,643 0.121,644 0.023,645 0.418,646 -0.034,647 -0.196,648 -0.017,649 0.013,650 0.062,651 -0.183,652 0.133,653 -0.086,654 -0.148,655 -0.031,656 -0.066,657 -0.079,658 -0.021,659 2.774,660 4.237,661 0.667,662 19.153,663 1.067,664 1.116,665 3.243,666 10.515,667 0.702,668 3.296,669 3.638,670 3.871,671 4.111,672 4.382,673 4.431,674 4.454,675 4.585,676 4.635,677 4.663,678 5.789,679 0.738,680 328.25,681 3.296,682 4.844,683 5.687,684 6.567,685 7.431,686 8.312,687 9.182,688 10.063,689 10.935,690 11.817,691 6.3,702 2,709 6,714 6,716 12,731 2,735 1,738 32,739 18,740 2,741 26,743 34,744 15,745 12,746 6,747 6,748 3,752 3,753 4,768 15,772 6,775 2,778 5,780 2,782 1,785 1,786 1,789 8,790 7,792 9,797 2,803 0.667,804 7,823 3,827 1,841 1,845 2,855 2,862 24,872 2,886 21.9,889 1,891 2,892 4,893 13,894 5.983,895 5.194,896 1.733,898 3.089,899 1.435,900 0.954,901 4.082,902 10.192,903 3.664,904 4.29,905 4.8,906 5.344,907 5.922,908 6.24,909 6.503,910 6.871,911 7.14,912 7.478,913 1,914 38,915 8.843,917 3.945,918 8.569,919 15.452,921 12.291,924 3.069,925 73.667,929 94.169,930 107.431,931 11.34,933 148.639,936 107.431,937 242.807,938 11.34,939 11.34,941 75.81,942 32.336,943 46.429,945 94.169,946 101.494,947 94.169,948 118.771,949 148.639,952 94.169,953 47.145,954 101.494,957 88.478,958 30.293,960 94.169,961 159.979,962 107.431,965 94.169,966 31.621,967 87.15,969 148.639,970 94.169,971 159.979,972 107.431,973 0.592,974 0.336,975 0.173,976 0.103,977 18,978 9,979 0.118,980 4,981 1,982 1.125,983 3.525,984 194.027,985 0.125,986 16,987 106.039,993 15.804,994 6.199,995 3.326,997 148.639,998 7.613,1003 -0.029,1006 361.578,1007 38,1010 -1.509,1013 54.859,1015 2.837,1017 -0.541,1020 34.146,1021 35.708,1022 0.348,1023 0.623,1024 0.816,1025 0.938,1026 0.975,1027 0.975,1028 4.898,1029 1.243,1030 5.694,1031 4.25,1032 4.317,1033 4.977,1034 3.417,1035 6.5,1036 4.241,1037 6.139,1038 1,1039 7.258,1040 2.989,1041 4.007,1042 4.956,1043 3.006,1044 7.387,1045 3.887,1046 7.466,1047 0.793,1048 8.916,1049 2.414,1050 5.916,1051 7.207,1052 4.965,1053 10.44,1054 5.755,1055 8.824,1056 0.172,1057 10.626,1058 1.859,1059 6.347,1060 7.932,1061 5.194,1062 12.1,1063 6.138,1064 10.207,1065 -0.227,1066 12.369,1067 0.456,1068 7.779,1069 9.703,1070 6.697,1071 14.676,1072 7.536,1073 11.607,1074 -0.41,1075 14.133,1076 -0.54,1077 8.553,1078 10.767,1079 7.248,1080 16.673,1081 8.259,1082 13.021,1083 -0.809,1084 15.914,1085 -1.12,1086 9.788,1087 12.344,1088 8.512,1089 19.067,1090 9.462,1091 3.056,1092 -0.897,1093 17.707,1094 -2,1095 10.728,1096 13.576,1097 9.241,1098 21.219,1099 10.353,1100 2.942,1101 10.007,1102 19.51,1103 -2,1104 11.88,1105 15.067,1106 10.374,1107 23.541,1108 11.471,1109 2.58,1110 9.331,1111 21.32,1112 4.219,1113 12.901,1114 16.384,1115 11.202,1116 25.763,1117 12.444,1118 2.345,1119 7.927,1120 23.136,1121 3.967,1122 14.018,1123 17.835,1124 12.261,1125 28.058,1126 13.526,1127 2.079,1128 6.822,1129 24.958,1130 3.685,1131 15.079,1132 19.197,1133 13.145,1134 30.313,1135 14.541,1136 1.813,1137 5.799,1138 26.784,1139 3.099,1140 16.183,1141 20.63,1142 14.163,1143 32.6,1144 15.608,1145 1.564,1146 4.994,1147 28.613,1148 2.861,1149 17.264,1150 22.018,1151 15.079,1152 34.871,1153 16.644,1154 5949,1155 12783,1156 16.819,1157 22.477,1158 39.734,1159 41.954,1160 40.806,1161 39.157,1162 39.174,1163 55.121,1164 15.519,1165 113.695,1166 37.76,1167 5.306,1168 5.837,1169 5.827,1170 5.108,1171 5.056,1172 7.219,1173 4.612,1174 16.616,1175 4.924,1176 13.905,1177 1.528,1178 1.614,1179 1.569,1180 1.506,1181 1.507,1182 2.12,1183 0.597,1184 4.373,1185 1.452,1186 4.058,1187 4.074,1188 4.033,1189 3.923,1190 7.819,1191 3.939,1192 3.947,1193 3.959,1194 3.911,1195 3.832,1196 7.811,1197 3.847,1198 3.646,1199 3.663,1200 3.648,1201 3.35,1202 7.434,1203 3.367,1204 3.497,1205 3.506,1206 3.45,1207 3.128,1208 6.999,1209 3.247,1210 3.317,1211 3.335,1212 3.276,1213 2.923,1214 6.999,1215 3.004,1216 2.976,1217 2.996,1218 2.9,1219 2.783,1220 4.935,1221 2.802,1222 2.76,1223 2.771,1224 2.699,1225 2.57,1226 4.684,1227 2.599,1228 2.686,1229 2.734,1230 2.56,1231 2.406,1232 4.327,1233 2.47,1234 0.172,1235 0.148,1236 0.249,1237 0.154,1238 0.118,1239 4.472,1240 0.162,1241 3.837,1242 0.1,1243 6.462,1244 0.385,1245 4.014,1246 0.112,1247 3.056,1248 4.219,1249 2.612,1250 10.007,1251 2.924,1252 1.955,1253 1.942,1254 2.027,1255 2.137,1256 1.126,1257 2.084,1258 1.892,1259 1.874,1260 1.969,1261 2.021,1262 1.068,1263 2.005,1264 1.434,1265 1.416,1266 1.575,1267 1.834,1268 0.598,1269 1.674,1270 1.28,1271 1.258,1272 1.303,1273 1.614,1274 0.213,1275 1.584,1276 1.074,1277 1.045,1278 1.211,1279 1.479,1280 0.184,1281 1.4,1282 0.905,1283 0.874,1284 1.133,1285 1.132,1286 0.125,1287 1.123,1288 0.658,1289 0.647,1290 0.81,1291 0.909,1293 0.912,1294 0.594,1295 0.552,1296 0.795,1297 0.876,1299 0.855,1300 3.97,1302 5.303,1304 6.828,1306 8.441,1308 10.101,1318 10.437,1326 23.627,1327 55.745,1328 99.735,1329 130.49,1330 150,1331 156,1332 156,1333 58.405,1334 7.102,1335 131.08,1336 131.08,1337 18,1338 12.354,1339 4.248,1340 3.7,1341 39.247,1342 84,1343 72,1344 0.234,1345 144.764,1346 266.31,1347 344.983,1348 10781,1350 17.267,1351 0.719,1352 0.495,1353 17.267,1354 11.871,1355 11.436,1356 0.44,1357 0.253,1358 6.428,1359 10.627,1360 6.38,1361 5.253,1362 11.436,1363 6.585,1364 10.838,1365 0.293,1366 0.128,1367 10.838,1368 4.722,1369 8.508,1370 0.181,1371 0.067,1372 8.508,1373 3.172,1374 6.885,1375 0.115,1376 0.035,1377 6.885,1378 2.08,1379 5.847,1380 0.074,1381 0.018,1382 5.847,1383 1.415,1384 0.362,1385 74.621,1386 0.244,1387 23.259,1388 0.651,1389 126,1390 575.439,1391 149.093,1392 532.758,1393 692.1,1394 486,1395 147,1396 507.912,1397 168.827,1398 491.607,1399 708.86,1400 459,1401 4.869}
{0 CHEMBL1506967,1 1.211,2 8,3 5.005,4 25.048,5 67.135,6 5.852,7 0.375,8 3.663,9 3.795,10 2.974,11 3.173,12 4.662,13 3.094,14 4.203,15 4.417,16 3.236,17 3.534,18 5.076,19 3.407,20 4.488,21 4.748,22 3.324,23 3.647,24 5.344,25 3.501,26 4.513,27 4.768,28 3.294,29 3.598,30 5.536,31 3.45,32 4.472,33 4.726,34 3.085,35 3.499,36 5.429,37 3.342,38 4.318,39 4.572,40 2.912,41 3.356,42 5.281,43 3.185,44 4.233,45 4.515,46 2.523,47 3.146,48 5.148,49 2.931,50 3.963,51 4.289,52 2.018,53 2.841,54 4.64,55 2.57,56 0.058,57 0.474,58 9.363,59 4.093,60 8.439,61 5.565,62 0.073,63 0.747,64 15.332,65 6.526,66 11.335,67 9.13,68 0.143,69 0.896,70 20.044,71 7.793,72 19.272,73 11.08,74 0.289,75 0.877,76 20.901,77 7.567,78 45.932,79 10.786,80 0.264,81 0.803,82 20.055,83 6.863,84 39.178,85 9.754,86 0.197,87 0.698,88 17.091,89 5.997,90 32.914,91 8.55,92 0.215,93 0.595,94 15.364,95 5.12,96 36.921,97 7.399,98 0.143,99 0.445,100 11.13,101 3.91,102 21.437,103 5.753,104 29,105 20,106 0.226,107 0.493,108 0.658,109 0.707,110 0.736,111 0.766,112 2.851,113 1.167,114 -4.54,115 -4.46,116 -4.2,120 36.8,121 2,122 6,143 2,144 2,145 2,174 10,182 4,185 11,194 4,197 9,205 1,206 6,209 8,219 4,222 7,232 4,235 6,245 2,247 5,260 4,271 3,274 242,275 10.707,276 10.707,277 10.707,278 10.707,279 10.707,280 9.878,281 8.619,282 6.8,283 10.773,284 7.826,285 7.826,286 7.826,287 7.826,288 7.826,289 6.559,290 6.473,291 3.13,292 7.96,293 4.037,294 2.607,295 1.724,296 1.461,297 1.303,298 1.145,299 3.475,306 1,307 1,308 246,309 2.828,313 56.327,320 1.5,321 15.823,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 34,333 128,334 4.388,335 3.26,336 6.423,337 3.997,338 3.021,339 4.077,341 9.806,342 2.946,343 3.569,344 2.559,345 5.296,346 3.284,347 2.287,348 2.876,350 6.765,351 2.28,352 3.232,353 2.232,354 4.879,355 2.816,356 1.879,357 2.481,359 5.225,360 1.749,361 2.589,362 1.711,363 3.791,364 2.557,365 1.564,366 1.59,368 3.16,369 1.552,370 2.44,371 1.392,372 3.422,373 2.383,374 1.384,375 1.438,377 2.566,378 1.382,379 1.789,380 1.04,381 2.976,382 1.685,383 0.71,384 0.744,386 1.354,387 0.688,388 1.301,389 0.344,390 2.653,391 1.231,392 0.236,393 0.248,395 0.366,396 0.234,397 1,398 -0.024,399 2.409,400 0.782,401 -0.187,402 -0.199,404 -0.311,405 -0.18,406 0.924,407 -0.047,408 2,409 0.588,410 -0.347,411 -0.445,413 -0.898,414 -0.32,415 0.288,416 -0.502,417 1.468,418 0.157,419 -0.804,420 -0.856,422 -1.569,423 -0.764,424 -0.068,425 -0.898,426 1.317,427 -0.18,428 -1.147,429 -1.216,431 -2.208,432 -1.108,433 -0.146,434 -1.285,435 1.087,436 -0.366,437 -1.34,438 -1.51,440 -2.888,441 -1.318,442 -0.232,443 -1.325,444 1,445 -0.604,446 -1.532,447 -1.909,449 -4.493,450 -1.428,451 -0.5,452 -1.642,453 1,454 -0.819,455 -1.811,456 -2.036,458 -4.59,459 -1.8,460 -0.765,461 -1.735,462 0.141,463 -0.912,464 -1.912,465 -2.284,467 -5.45,468 -1.912,469 7.667,470 0.479,471 0.315,472 0.02,473 15.5,474 0.969,475 7,476 0.438,477 8.5,478 0.531,479 14.561,480 0.91,481 19.333,482 0.509,483 8.799,484 0.55,485 2.476,486 0.155,487 5.209,488 0.326,489 0.217,491 0.261,496 1.013,497 1.211,498 1.128,499 1.209,500 1.029,501 1.185,502 0.538,503 1.231,504 0.96,505 1.224,506 0.49,507 1.151,508 0.785,509 1.058,510 0.874,511 1.045,512 0.815,513 0.979,514 0.996,515 1.092,516 0.975,517 1.08,518 1.014,519 1.032,520 1.782,521 0.962,522 1.208,523 0.961,524 1.814,525 1.01,526 1.541,527 1.116,528 1.224,529 1.113,530 1.537,531 1.129,532 1.735,533 0.97,534 1.265,535 0.977,536 1.703,537 1.056,538 1.18,539 0.774,540 1.031,541 0.792,542 1.15,543 0.881,544 3,545 0.017,546 1.556,547 1.25,548 0.924,549 0.458,550 0.243,551 0.087,552 0.025,553 0.02,554 1682,555 3265,556 1.861,557 57.9,558 18,559 2,562 2,567 1.551,568 1.714,569 2.96,570 0.329,575 46.011,576 1.211,577 2.641,578 3.524,579 3.787,580 3.945,581 4.103,582 2.5,583 3.281,584 3.957,585 3.078,586 369.41,587 6.673,588 3209.9,590 1,593 199.421,594 1.5,595 3.906,596 0.188,597 0.008,598 0.078,599 0.06,600 0.049,601 0.031,602 0.02,603 0.012,604 0.006,605 0.007,606 0.458,607 0.67,608 1,609 1.875,610 65.081,611 -0.098,612 0.084,613 -0.031,614 0.076,615 -0.104,616 0.036,617 0.046,618 -0.083,619 0.029,620 -0.073,621 0.091,622 -0.03,623 0.046,624 -0.032,625 0.103,626 -0.016,627 0.015,628 0.042,629 0.172,630 -0.096,631 0.039,632 -0.089,633 0.157,634 -0.046,635 -0.203,636 -0.001,637 -0.151,638 -0.013,639 -0.231,640 -0.068,641 -0.148,642 -0.14,643 -0.189,644 -0.146,645 -0.136,646 -0.169,647 -0.224,648 -0.068,649 -0.244,650 -0.085,651 -0.187,652 -0.157,653 -0.144,654 0.082,655 -0.099,656 0.067,657 -0.125,658 -0.002,659 1.417,660 3.838,661 0.375,662 12.406,663 0.984,664 1.131,665 3.308,666 10.945,667 0.613,668 2.833,669 3.045,670 3.219,671 3.401,672 3.497,673 3.466,674 3.219,675 3.045,676 2.708,677 1.946,678 4.618,679 0.559,680 222.36,681 2.833,682 4.29,683 5.081,684 5.916,685 6.739,686 7.59,687 8.425,688 9.283,689 10.123,690 10.985,709 2,714 4,716 6,734 2,738 38,739 6,740 1,741 16,743 38,744 14,745 6,746 4,747 2,752 1,753 1,759 2,766 6,768 6,769 8,789 22,790 2,791 2,792 2,803 1,804 2,823 1,855 1,859 2,862 16,868 2,869 6,886 5.3,888 2,893 9.333,894 7.067,895 3.889,896 2.808,898 1.225,899 1.224,900 0.86,901 5.504,902 6.684,903 2.996,904 3.481,905 3.956,906 4.444,907 4.866,908 4.947,909 4.747,910 4.644,911 4.343,912 3.391,913 0.833,914 21,915 5.958,917 2.359,918 7.729,919 11.642,921 9.11,924 2.229,925 35.667,926 0.004,929 235.422,930 58.181,933 85.367,936 58.181,937 320.789,939 17.65,940 15.207,941 18.952,942 85.367,943 6.371,945 235.422,947 235.422,948 58.181,949 85.367,952 235.422,953 85.367,956 32.858,957 25.324,960 235.422,961 85.367,962 58.181,965 235.422,966 21.578,967 36.603,969 85.367,970 235.422,971 85.367,972 58.181,973 0.541,974 0.309,975 0.169,976 0.096,977 7,978 4,979 0.158,980 6,982 1,983 2.773,984 94.742,986 6,987 58,993 13.209,994 6.667,995 3.916,997 85.367,998 3.584,1003 2.221,1005 85.367,1006 378.97,1007 19,1020 37.374,1021 42.986,1022 0.231,1023 0.503,1024 0.672,1025 0.722,1026 0.752,1027 0.782,1028 4.167,1029 -0.187,1030 5.03,1031 0.366,1032 3.714,1033 4.159,1035 5.778,1036 3.674,1037 5.324,1038 -0.347,1039 6.553,1040 -0.311,1041 3.219,1042 4.007,1044 6.605,1045 3.118,1046 6.606,1047 -0.804,1048 8.186,1049 -0.898,1050 5.22,1051 6.294,1053 9.696,1054 5.143,1055 7.933,1056 -1.147,1057 9.884,1058 -1.569,1059 5.565,1060 6.965,1062 11.354,1063 5.423,1064 9.297,1065 -1.34,1066 11.623,1067 -2.208,1068 7.038,1069 8.768,1071 13.958,1072 6.915,1073 10.687,1074 -1.532,1075 13.391,1076 -2.888,1077 7.793,1078 9.809,1080 15.962,1081 7.612,1082 12.096,1083 -1.811,1084 15.179,1085 -4.493,1086 9.046,1087 11.411,1089 18.383,1090 8.869,1091 3.021,1092 -1.912,1093 16.982,1094 -4.59,1095 9.994,1096 12.631,1098 20.54,1099 9.77,1100 2.287,1101 9.806,1102 18.796,1103 -5.45,1104 11.156,1105 14.139,1107 22.885,1108 10.923,1109 1.879,1110 6.765,1111 20.619,1112 4.077,1113 12.192,1114 15.448,1116 25.109,1117 11.919,1118 1.564,1119 5.225,1120 22.449,1121 2.876,1122 13.318,1123 16.908,1125 27.421,1126 13.029,1127 1.384,1128 3.16,1129 24.284,1130 2.481,1131 14.392,1132 18.263,1134 29.677,1135 14.069,1136 0.71,1137 2.566,1138 26.125,1139 1.59,1140 15.504,1141 19.697,1143 31.974,1144 15.16,1145 0.236,1146 1.354,1147 27.969,1148 1.438,1149 16.595,1150 21.076,1152 34.244,1153 16.221,1154 1888,1155 2712,1156 9.94,1157 23.284,1158 21.992,1159 22.382,1160 23.88,1161 22.256,1162 22.16,1163 26.911,1165 58.483,1166 21.661,1167 5.198,1168 5.26,1169 6.286,1170 4.997,1171 5.021,1172 7.077,1174 16.64,1175 4.946,1176 9.34,1177 1.374,1178 1.399,1179 1.492,1180 1.391,1181 1.385,1182 1.682,1184 3.655,1185 1.354,1186 3.977,1187 3.999,1188 3.919,1189 3.905,1190 6.49,1191 3.905,1192 3.666,1193 3.736,1194 3.492,1195 3.543,1196 6.446,1197 3.522,1198 3.57,1199 3.639,1200 3.382,1201 3.431,1202 4.481,1203 3.41,1204 3.217,1205 3.299,1206 3.017,1207 3.065,1208 4.154,1209 3.042,1210 3.009,1211 3.111,1212 2.897,1213 2.802,1214 4.087,1215 2.78,1216 2.992,1217 3.006,1218 2.733,1219 2.755,1220 3.726,1221 2.769,1222 2.679,1223 2.766,1224 2.432,1225 2.453,1226 3.456,1227 2.431,1228 2.414,1229 2.547,1230 2.048,1231 2.096,1232 3.297,1233 2.052,1234 0.274,1235 0.204,1236 0.401,1237 0.25,1238 0.189,1239 4.388,1240 0.255,1241 3.26,1243 6.423,1244 0.613,1245 3.997,1246 0.184,1247 3.021,1248 4.077,1250 9.806,1251 2.946,1252 1.946,1253 1.925,1254 2.075,1255 2.043,1256 1.349,1257 2.052,1258 1.697,1259 1.632,1260 1.969,1261 1.864,1262 1.269,1263 1.904,1264 1.586,1265 1.52,1266 1.846,1267 1.765,1268 1.028,1269 1.797,1270 1.248,1271 1.171,1272 1.582,1273 1.457,1274 0.783,1275 1.504,1276 1.044,1277 0.945,1278 1.429,1279 1.303,1280 0.586,1281 1.351,1282 0.88,1283 0.856,1284 1.099,1285 1.192,1286 0.27,1287 1.149,1288 0.683,1289 0.593,1290 1.094,1291 0.973,1292 0.148,1293 1.011,1294 0.447,1295 0.307,1296 0.98,1297 0.815,1298 0.084,1299 0.874,1300 3.497,1302 4.727,1304 6.168,1306 7.725,1308 9.349,1310 4.235,1314 19.676,1315 5.95,1326 21.224,1327 46.011,1328 100.363,1329 133.911,1330 143.911,1331 149.911,1332 155.911,1333 38.282,1334 5.46,1335 40.46,1336 40.46,1337 6,1338 11.539,1339 2.807,1340 2,1341 34.528,1342 45,1343 46,1344 0.42,1345 136.88,1346 237.16,1347 325.748,1348 1126,1350 11.966,1351 0.748,1352 0.643,1353 11.966,1354 10.292,1355 7.685,1356 0.48,1357 0.389,1358 6.193,1359 7.55,1360 5.973,1361 5.104,1362 7.685,1363 6.223,1364 6.24,1365 0.312,1366 0.216,1367 6.24,1368 4.32,1369 4.729,1370 0.197,1371 0.119,1372 4.729,1373 2.862,1374 3.796,1375 0.131,1376 0.063,1377 3.796,1378 1.833,1379 2.667,1380 0.083,1381 0.039,1382 2.667,1383 1.25,1384 0.639,1385 47.265,1386 0.317,1387 16.36,1388 1.194,1389 72,1390 174.299,1391 76.207,1392 171.677,1393 227.82,1394 158,1395 80,1396 162.061,1397 83.987,1398 165.961,1399 238.68,1400 156,1401 5.03}
{0 CHEMBL1507250,1 1.728,2 10.333,3 2.772,4 7.686,5 101.51,6 8.588,7 0.414,8 3.917,9 3.997,10 3.748,11 3.503,12 5.088,13 3.477,14 4.439,15 4.572,16 4.083,17 3.877,18 5.848,19 3.846,20 4.638,21 4.747,22 4.174,23 4.043,24 5.99,25 3.997,26 4.85,27 5.018,28 4.086,29 3.969,30 6.308,31 3.93,32 4.656,33 4.825,34 3.895,35 3.838,36 6.026,37 3.803,38 4.564,39 4.737,40 3.791,41 3.764,42 5.85,43 3.706,44 4.604,45 4.843,46 3.717,47 3.666,48 5.974,49 3.59,50 4.299,51 4.476,52 3.703,53 3.547,54 5.552,55 3.499,56 0.13,57 0.648,58 9.792,59 4.471,60 17.053,61 4.66,62 0.549,63 1.021,64 16.506,65 7.146,66 57.492,67 8.001,68 0.34,69 1.237,70 25.101,71 10.248,72 36.674,73 10.141,74 1.072,75 1.357,76 33.26,77 10.712,78 157.494,79 11.255,80 0.717,81 1.152,82 24.281,83 8.585,84 96.085,85 9.289,86 0.483,87 1.071,88 20.023,89 7.808,90 65.582,91 8.84,92 0.789,93 1.056,94 25.957,95 8.329,96 121.792,97 10.392,98 0.394,99 0.797,100 19.193,101 6.82,102 61.885,103 7.457,104 52,105 43,106 0.295,107 0.641,108 0.763,109 0.838,110 0.845,111 0.845,112 3.34,113 0.984,114 -3.72,115 -3.69,116 -3.51,120 42.2,121 1,125 2,136 1,137 1,143 7,144 2,145 3,159 2,174 9,176 4,177 5,180 1,182 3,185 10,189 11,194 2,197 8,200 2,201 12,204 2,206 2,209 5,214 7,217 3,219 2,222 4,227 8,232 2,235 4,239 3,240 7,245 1,247 5,252 5,260 7,263 6,264 5,271 6,274 1023,275 17.341,276 17.341,277 17.341,278 17.341,279 17.341,280 15.182,281 20.104,282 9.814,283 17.64,284 14.236,285 14.236,286 14.236,287 14.236,288 14.236,289 10.733,290 23.546,291 4.595,292 14.724,293 3.764,294 1.737,295 1.02,296 0.584,297 0.539,298 0.539,299 4.012,305 1,306 1,307 1,308 586,309 4.062,313 241.858,317 127.781,320 1.531,321 46.345,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60,333 279,334 4.95,335 4.742,336 7.677,337 4.445,338 3.522,339 4.793,340 1.674,341 13.597,342 3.224,343 4.444,344 3.811,345 6.495,346 4.075,347 3.091,348 4.003,349 1.058,350 10.128,351 3.038,352 4.063,353 3.392,354 6.029,355 3.675,356 2.695,357 3.618,358 0.4,359 8.591,360 2.637,361 3.943,362 2.874,363 5.894,364 3.525,365 2.53,366 3.422,368 7.806,369 2.511,370 3.493,371 2.696,372 5.298,373 3.131,374 2.152,375 2.77,377 6.479,378 2.099,379 3.246,380 2.301,381 4.829,382 2.822,383 1.842,384 2.398,386 5.239,387 1.785,388 2.97,389 2.019,390 4.541,391 2.519,392 1.515,393 2.11,395 4.11,396 1.513,397 2.857,398 1.901,399 4.401,400 2.404,401 1.47,402 1.98,404 3.733,405 1.369,406 2.736,407 1.546,408 3.706,409 2.38,410 1.386,411 1.812,413 2.992,414 1.363,415 2.435,416 1.25,417 3.618,418 1.976,419 1,420 1.349,422 2.507,423 0.974,424 2.405,425 1.073,426 3.53,427 1.778,428 0.782,429 1.163,431 2.026,432 0.771,433 1.466,434 0.732,435 2.877,436 1.138,437 0.153,438 0.188,440 0.363,441 0.149,442 1.324,443 0.681,444 2.771,445 0.856,446 -0.159,447 -0.219,449 -0.374,450 -0.157,451 1,452 0.283,453 2.636,454 0.486,455 -0.473,456 -0.569,458 -1.308,459 -0.45,460 0.838,461 -0.15,462 2.335,463 0.426,464 -0.585,465 -0.767,467 -1.488,468 -0.577,469 12.8,470 0.474,471 0.976,472 0.036,473 37.5,474 1.389,475 20.5,476 0.759,477 17,478 0.63,479 19.913,480 0.738,481 29.2,482 0.649,483 31.901,484 1.182,485 7.523,486 0.279,487 5.174,488 0.192,489 0.221,490 0.065,491 0.344,496 0.574,497 1.332,498 0.776,499 1.246,500 0.615,501 0.938,502 0.58,503 0.829,504 0.69,505 0.752,506 0.527,507 0.721,508 0.982,509 1.41,510 1.408,511 1.54,512 0.852,513 1.18,514 1.367,515 0.977,516 1.182,517 0.987,518 1.454,519 0.958,520 1.294,521 0.932,522 1.045,523 0.9,524 1.373,525 0.963,526 1.101,527 1.195,528 0.959,529 1.082,530 1.155,531 1.185,532 0.887,533 0.661,534 0.712,535 0.621,536 0.79,537 0.717,538 1.027,539 0.941,540 0.874,541 1.012,542 1.113,543 0.849,544 7.5,545 0.215,546 4.444,547 2.438,548 2.138,549 1.069,550 0.649,551 0.479,552 0.353,553 0.251,554 8157,555 26930,556 1.963,557 40,558 3,559 14,562 1,567 1.701,568 1.77,569 3.345,570 -0.272,571 1,572 1,575 77.754,576 1.728,577 3.755,578 4.471,579 4.908,580 4.953,581 4.953,582 2.732,583 4.459,584 4.732,585 3.5,586 1228.62,587 8.213,588 15620.8,590 1,592 1,593 247.133,594 1.74,595 4.637,596 0.259,597 0.011,598 0.103,599 0.052,600 0.052,601 0.03,602 0.022,603 0.017,604 0.013,605 0.01,606 0.568,607 0.33,608 1,609 1.033,610 133.159,611 0.042,612 -0.177,613 0.201,614 -0.112,615 -0.118,616 0.003,617 0.26,618 0.272,619 0.212,620 0.232,621 0.193,622 0.204,623 -0.108,624 -0.326,625 -0.233,626 -0.339,627 -0.003,628 -0.211,629 -0.091,630 -0.011,631 -0.128,632 -0.005,633 -0.093,634 -0.018,635 -0.17,636 0.056,637 -0.143,638 0.003,639 -0.159,640 -0.039,641 -0.162,642 -0.209,643 -0.134,644 -0.205,645 -0.162,646 -0.246,647 0.108,648 0.268,649 0.242,650 0.264,651 0.177,652 0.294,653 -0.053,654 0.012,655 0.186,656 0.033,657 -0.094,658 0.163,659 4.582,660 5.527,661 0.593,662 21.802,663 1.022,664 1.117,665 2.492,666 6.212,667 0.689,668 3.401,669 3.784,670 4.043,671 4.234,672 4.454,673 4.454,674 4.543,675 4.605,676 4.644,677 4.585,678 6.236,679 0.667,680 386.46,681 3.401,682 4.977,683 5.838,684 6.735,685 7.615,686 8.511,687 9.397,688 10.293,689 11.181,690 12.076,691 4.4,694 1,698 1,709 7,714 5,716 12,738 45,739 17,740 2,741 29,743 47,744 19,745 12,746 5,747 7,748 4,752 3,753 4,759 1,768 16,769 3,772 5,776 1,778 4,780 1,782 3,785 1,786 1,789 18,790 7,791 1,792 8,793 1,797 2,803 0.667,804 5,823 3,827 1,838 1,841 1,845 1,846 1,855 2,857 1,859 3,862 27,866 1,871 1,872 1,875 1,886 11.1,889 4,891 1,893 15.25,894 9.117,895 5.778,896 2.433,898 2.892,899 1.399,900 0.978,901 5.092,902 10.138,903 3.714,904 4.357,905 4.883,906 5.362,907 5.881,908 6.056,909 6.391,910 6.625,911 6.83,912 6.886,913 0.857,914 47,915 10.279,917 4.731,918 8.176,919 18.405,921 15.06,924 2.676,925 72.25,928 1,929 200.109,930 138.239,931 19.529,933 105.603,935 5.807,936 132.432,937 305.711,938 19.529,939 25.618,940 18.011,941 81.617,942 106.499,943 31.626,945 200.109,947 200.109,948 151.961,949 105.603,950 5.807,952 200.109,953 105.603,956 28.355,957 114.13,958 15.284,960 200.109,961 125.132,962 138.239,964 5.807,965 200.109,966 31.004,967 102.946,968 18.011,969 105.603,970 200.109,971 125.132,972 138.239,973 0.605,974 0.361,975 0.176,976 0.095,977 21,978 11,979 0.085,980 4,981 1,982 1.125,983 3.675,984 231.5,985 0.125,986 16,987 124.382,992 1,993 19.147,994 7.18,995 3.749,997 125.132,998 11.385,1003 1.886,1005 18.011,1006 463.48,1007 40,1011 -3.666,1013 49.451,1015 1.447,1017 -1.6,1020 45.985,1021 50.285,1022 0.315,1023 0.684,1024 0.814,1025 0.894,1026 0.902,1027 0.902,1028 4.984,1029 1.47,1030 5.894,1031 4.11,1032 4.466,1033 5.043,1034 2.216,1035 6.79,1036 4.397,1037 6.253,1038 1.386,1039 7.53,1040 3.733,1041 4.369,1042 5.207,1044 8.082,1045 4.236,1046 7.624,1047 1,1048 9.281,1049 2.992,1050 6.196,1051 7.369,1052 2.959,1053 11.152,1054 6.03,1055 9.036,1056 0.782,1057 11.102,1058 2.507,1059 6.878,1060 8.318,1062 13.273,1063 6.623,1064 10.483,1065 0.153,1066 12.97,1067 2.026,1068 8.282,1069 10.056,1070 3.869,1071 15.979,1072 7.984,1073 11.957,1074 -0.159,1075 14.872,1076 0.363,1077 9.286,1078 11.336,1080 18.408,1081 8.89,1082 13.452,1083 -0.473,1084 16.8,1085 -0.374,1086 10.557,1087 12.939,1088 4.85,1089 21.027,1090 10.102,1091 3.522,1092 -0.585,1093 18.748,1094 -1.308,1095 11.694,1096 14.365,1098 23.567,1099 11.141,1100 3.091,1101 13.597,1102 20.714,1103 -1.488,1104 12.929,1105 15.925,1106 5.861,1107 26.171,1108 12.302,1109 2.695,1110 10.128,1111 22.692,1112 4.793,1113 14.123,1114 17.419,1116 28.752,1117 13.399,1118 2.53,1119 8.591,1120 24.682,1121 4.003,1122 15.353,1123 18.969,1124 6.884,1125 31.355,1126 14.546,1127 2.152,1128 7.806,1129 26.68,1130 3.618,1131 16.573,1132 20.496,1134 33.952,1135 15.67,1136 1.842,1137 6.479,1138 28.686,1139 3.422,1140 17.807,1141 22.047,1142 7.911,1143 36.557,1144 16.815,1145 1.515,1146 5.239,1147 30.697,1148 2.77,1149 19.04,1150 23.591,1152 39.161,1153 17.952,1154 8066,1155 14820,1156 18.205,1157 31.023,1158 44.912,1159 47.498,1160 46.794,1161 44.32,1162 44.277,1163 59.21,1164 6.265,1165 135.144,1166 42.869,1167 5.87,1168 6.742,1169 7.361,1170 5.534,1171 5.522,1172 7.793,1173 3.349,1174 21.603,1175 5.224,1176 17.318,1177 1.549,1178 1.638,1179 1.614,1180 1.528,1181 1.527,1182 2.042,1183 0.216,1184 4.66,1185 1.478,1186 4.101,1187 4.088,1188 4.741,1189 4.082,1190 7.715,1191 4.006,1192 3.978,1193 3.983,1194 3.956,1195 3.902,1196 7.447,1197 3.902,1198 3.723,1199 3.744,1200 3.76,1201 3.612,1202 7.415,1203 3.563,1204 3.57,1205 3.591,1206 3.525,1207 3.445,1208 6.999,1209 3.452,1210 3.258,1211 3.313,1212 3.158,1213 3.067,1214 4.843,1215 3.066,1216 3.199,1217 3.242,1218 3.082,1219 2.995,1220 4.7,1221 2.958,1222 3.031,1223 3.051,1224 2.921,1225 2.789,1226 4.218,1227 2.813,1228 2.919,1229 3.009,1230 2.791,1231 2.738,1232 4.174,1233 2.752,1234 0.171,1235 0.164,1236 0.265,1237 0.153,1238 0.121,1239 4.95,1240 0.165,1241 4.742,1242 0.058,1243 7.677,1244 0.469,1245 4.445,1246 0.111,1247 3.522,1248 4.793,1249 1.674,1250 13.597,1251 3.224,1252 1.988,1253 1.992,1254 2.036,1255 2.071,1256 1.243,1257 2.094,1258 1.937,1259 1.926,1260 2.007,1261 2.025,1262 1.124,1263 2.029,1264 1.6,1265 1.588,1266 1.752,1267 1.807,1268 0.886,1269 1.827,1270 1.513,1271 1.493,1272 1.637,1273 1.682,1274 0.688,1275 1.669,1276 1.226,1277 1.159,1278 1.518,1279 1.448,1280 0.593,1281 1.468,1282 1.118,1283 1.078,1284 1.417,1285 1.33,1286 0.469,1287 1.382,1288 0.934,1289 0.887,1290 1.155,1291 1.239,1292 0.41,1293 1.308,1294 0.914,1295 0.837,1296 1.139,1297 1.212,1298 0.191,1299 1.177,1300 4.078,1302 5.442,1304 7.006,1306 8.657,1308 10.352,1310 4.528,1317 2.56,1318 5.161,1321 1.096,1326 30.018,1327 77.754,1328 168.953,1329 201.217,1330 220.869,1331 222.869,1332 222.869,1333 73.283,1334 7.246,1335 96.69,1336 105.07,1337 18,1338 12.602,1339 4.17,1340 3.585,1341 46.999,1342 103,1343 89,1344 0.228,1345 189.199,1346 339.08,1347 453.405,1348 13209,1350 19.767,1351 0.732,1352 0.586,1353 20.017,1354 15.832,1355 12.696,1356 0.438,1357 0.328,1358 8.064,1359 11.337,1360 7.641,1361 6.405,1362 13.485,1363 9.514,1364 12.369,1365 0.288,1366 0.194,1367 13.754,1368 8.327,1369 10.231,1370 0.183,1371 0.108,1372 11.654,1373 6.048,1374 7.721,1375 0.114,1376 0.055,1377 8.579,1378 3.715,1379 6.223,1380 0.073,1381 0.029,1382 6.855,1383 2.505,1384 0.355,1385 88.166,1386 0.234,1387 25.693,1388 0.63,1389 144,1390 507.516,1391 200.744,1392 502.859,1393 669.34,1394 460,1395 171,1396 456.128,1397 233.475,1398 499.347,1399 728.61,1400 464,1401 6.796}
{0 CHEMBL1507468,1 1.732,2 10.88,3 4.158,4 17.29,5 98.755,6 8.867,7 0.423,8 3.845,9 3.945,10 3.544,11 3.406,12 5.023,13 3.385,14 4.344,15 4.497,16 3.901,17 3.742,18 5.536,19 3.698,20 4.577,21 4.77,22 3.936,23 3.822,24 5.742,25 3.742,26 4.565,27 4.761,28 3.982,29 3.787,30 5.777,31 3.71,32 4.541,33 4.721,34 3.889,35 3.703,36 6.001,37 3.656,38 4.567,39 4.775,40 3.733,41 3.679,42 5.79,43 3.619,44 4.476,45 4.666,46 3.781,47 3.706,48 5.669,49 3.639,50 4.502,51 4.687,52 3.804,53 3.767,54 5.729,55 3.654,56 0.084,57 0.568,58 6.558,59 3.766,60 8.29,61 4.52,62 0.296,63 0.875,64 14.31,65 6.206,66 21.386,67 7.667,68 0.572,69 0.999,70 25.896,71 8.102,72 57.183,73 9.802,74 0.544,75 0.971,76 29.677,77 8.182,78 65.142,79 9.715,80 0.735,81 0.953,82 22.374,83 7.581,84 100.503,85 9.247,86 0.594,87 0.964,88 26.221,89 7.798,90 78.717,91 9.287,92 0.557,93 0.9,94 20.76,95 7.138,96 66.783,97 8.304,98 0.569,99 0.884,100 25.227,101 8.408,102 57.208,103 10.471,104 28,105 34,106 0.303,107 0.656,108 0.842,109 0.906,110 0.906,111 0.906,112 3.266,113 0.981,114 -3.83,115 -3.79,116 -3.6,120 41.9,121 1,122 1,126 2,136 2,143 5,145 3,152 1,153 1,159 2,174 4,176 1,177 6,180 1,182 1,185 5,188 1,189 4,192 1,194 3,197 5,201 2,209 4,213 3,214 9,217 1,219 3,222 2,227 7,232 2,235 1,240 3,247 3,251 1,252 6,255 1,257 1,260 10,264 1,269 1,271 7,274 1018,275 16.577,276 16.577,277 16.577,278 16.577,279 16.577,280 14.736,281 14.595,282 10.079,283 16.928,284 12.787,285 12.787,286 12.787,287 12.787,288 12.787,289 9.989,290 15.207,291 4.722,292 13.446,293 3.695,294 1.678,295 0.613,296 0.25,297 0.25,298 0.25,299 3.925,303 2,306 1,307 1,308 559,309 4.123,312 87.81,313 100.607,320 1.654,321 32.027,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.667,333 272,334 4.248,335 3.71,336 6.101,337 3.841,338 2.9,339 3.888,340 1.96,341 8.889,342 2.744,343 4.06,344 3.511,345 6.03,346 3.741,347 2.79,348 3.565,349 1.197,350 8.609,351 2.614,352 3.895,353 3.192,354 5.352,355 3.519,356 2.524,357 3.181,358 0.357,359 6.996,360 2.499,361 3.607,362 2.716,363 5.072,364 3.219,365 2.255,366 2.876,367 0.127,368 6.165,369 2.165,370 3.363,371 2.53,372 4.846,373 2.892,374 1.982,375 2.593,377 5.412,378 1.7,379 2.926,380 2.238,381 4.198,382 2.561,383 1.577,384 1.99,386 3.842,387 1.536,388 2.814,389 1.887,390 4.042,391 2.326,392 1.399,393 1.92,395 3.498,396 1.246,397 2.596,398 1.349,399 3.461,400 2.247,401 1.242,402 1.573,404 2.638,405 1.225,406 2.15,407 1.14,408 3.122,409 1.837,410 0.854,411 0.955,413 1.579,414 0.835,415 2.118,416 0.854,417 3,418 1.618,419 0.618,420 0.927,422 1.372,423 0.618,424 1.878,425 0.716,426 2.905,427 1.34,428 0.351,429 0.504,431 0.82,432 0.325,433 1.57,434 0.618,435 2.591,436 1.167,437 0.243,438 0.322,440 0.519,441 0.209,442 0.822,443 0.477,444 2.359,445 0.608,446 -0.359,447 -0.38,449 -0.662,450 -0.293,451 0.798,452 0.256,453 2.211,454 0.293,455 -0.514,456 -0.621,458 -1.242,459 -0.325,460 0.669,461 -0.023,462 1.925,463 0.23,464 -0.688,465 -0.848,467 -1.692,468 -0.589,469 12.229,470 0.489,471 0.596,472 0.024,473 30.75,474 1.23,475 15,476 0.6,477 15.75,478 0.63,479 20.359,480 0.814,481 27.371,482 0.637,483 23.061,484 0.922,485 6.307,486 0.252,487 5.684,488 0.227,489 0.212,491 0.278,496 0.684,497 1.372,498 0.559,499 0.97,500 0.549,501 0.908,502 0.75,503 1.234,504 0.653,505 0.926,506 0.563,507 0.93,508 1.101,509 0.957,510 0.984,511 0.907,512 1.095,513 0.946,514 1.166,515 1.01,516 0.895,517 0.909,518 1.345,519 0.919,520 0.841,521 1.125,522 0.689,523 1.011,524 1.269,525 0.999,526 1.327,527 1.01,528 0.879,529 0.905,530 1.704,531 0.916,532 1.244,533 0.837,534 0.76,535 0.759,536 1.237,537 0.869,538 0.706,539 1.039,540 1.018,541 1.186,542 0.692,543 1.168,544 5.5,545 0.112,546 2.667,547 1.535,548 1.378,549 0.594,550 0.509,551 0.359,552 0.226,553 0.201,554 7029,555 25400,556 1.95,557 41.9,558 3,559 11,560 1,562 1,564 2,567 1.681,568 1.807,569 3.401,570 -0.277,572 1,575 74.457,576 1.732,577 3.749,578 4.813,579 5.176,580 5.176,581 5.176,582 2.903,583 4.484,584 4.616,585 3.588,586 1076.53,587 7.985,588 13647.2,590 1,592 1,593 233.329,594 1.469,595 4.56,596 0.212,597 0.008,598 0.078,599 0.048,600 0.044,601 0.019,602 0.018,603 0.013,604 0.008,605 0.01,606 0.458,607 0.33,608 1,609 1.022,610 122.452,611 -0.046,612 -0.187,613 0.009,614 -0.069,615 -0.04,616 -0.024,617 0.041,618 -0.112,619 0.05,620 -0.022,621 0.069,622 -0.023,623 -0.097,624 0.07,625 -0.043,626 0.038,627 -0.099,628 -0.002,629 -0.124,630 -0.011,631 0.066,632 0.044,633 -0.126,634 0.035,635 0.275,636 -0.121,637 0.06,638 -0.105,639 0.243,640 -0.08,641 -0.194,642 -0.024,643 -0.054,644 0.009,645 -0.219,646 0.019,647 -0.169,648 0.18,649 -0.001,650 0.155,651 -0.118,652 0.056,653 0.183,654 -0.095,655 -0.058,656 -0.187,657 0.128,658 -0.166,659 2.002,660 5.302,661 0.44,662 23.206,663 1.018,664 1.122,665 2.595,666 6.735,667 0.696,668 3.296,669 3.555,670 3.714,671 3.871,672 3.912,673 3.807,674 3.807,675 3.829,676 3.761,677 3.714,678 6.549,679 0.665,680 381.28,681 3.296,682 4.796,683 5.595,684 6.431,685 7.248,686 8.084,687 8.907,688 9.743,689 10.57,690 11.405,691 4.7,698 2,709 6,712 1,714 4,716 11,737 2,738 43,739 14,740 1,741 26,743 44,744 18,745 10,746 3,747 3,748 3,752 2,753 2,754 2,759 1,766 1,768 14,769 4,772 3,778 2,780 2,782 2,786 1,788 1,789 18,790 5,791 1,792 7,793 2,797 2,803 1,804 3,822 1,823 1,838 1,839 1,845 2,855 2,859 1,860 2,862 25,869 3,871 1,875 1,885 2,886 7,889 2,891 1,893 13.833,894 7.902,895 5.722,896 2.592,898 2.096,899 1.329,900 0.941,901 7.56,902 8.474,903 3.57,904 4.073,905 4.518,906 4.955,907 5.237,908 5.26,909 5.332,910 5.519,911 5.452,912 5.562,913 1,914 32,915 9.227,917 3.791,918 8.009,919 17.077,921 13.134,924 2.509,925 62.722,928 1,929 200.109,930 118.26,931 21.135,932 78.297,933 59.797,936 118.26,937 338.203,938 21.135,939 8.825,940 27.881,941 78.073,942 59.699,943 19.265,944 17.22,945 188.338,946 78.297,947 200.109,948 139.396,949 59.797,950 78.297,952 176.567,953 83.339,956 36.706,957 83.737,958 97.25,960 200.109,961 80.932,962 196.558,965 200.109,966 31.362,967 90.023,968 18.011,969 138.094,970 200.109,971 80.932,972 196.558,973 0.566,974 0.319,975 0.167,976 0.084,977 13,978 7,979 0.159,980 7,982 1,983 3.714,984 184.779,986 11,987 116.096,993 19.57,994 9.658,995 6.234,997 80.932,998 9.785,1001 5.144,1003 1.842,1005 18.011,1006 477.599,1007 34.5,1013 24.535,1015 2.954,1017 -0.604,1020 43.785,1021 48.25,1022 0.319,1023 0.691,1024 0.887,1025 0.954,1026 0.954,1027 0.954,1028 4.769,1029 1.242,1030 5.557,1031 3.498,1032 4.234,1033 4.758,1034 2.349,1035 6.279,1036 4.137,1037 5.948,1038 0.854,1039 7.067,1040 2.638,1041 3.761,1042 4.443,1043 1.668,1044 7.002,1045 3.542,1046 7.222,1047 0.618,1048 8.674,1049 1.579,1050 5.746,1051 6.822,1052 3.192,1053 10.028,1054 5.56,1055 8.528,1056 0.351,1057 10.335,1058 1.372,1059 6.066,1060 7.306,1061 3.162,1062 11.542,1063 5.768,1064 9.862,1065 0.243,1066 12.03,1067 0.82,1068 7.51,1069 9.138,1070 4.289,1071 14.063,1072 7.227,1073 11.213,1074 -0.359,1075 13.748,1076 0.519,1077 8.196,1078 10.001,1079 4.591,1080 15.917,1081 7.812,1082 12.579,1083 -0.514,1084 15.483,1085 -0.662,1086 9.415,1087 11.595,1088 5.512,1089 18.244,1090 9.025,1091 2.9,1092 -0.688,1093 17.23,1094 -1.242,1095 10.279,1096 12.659,1097 5.987,1098 20.258,1099 9.8,1100 2.79,1101 8.889,1102 18.987,1103 -1.692,1104 11.398,1105 14.135,1106 6.798,1107 22.5,1108 10.896,1109 2.524,1110 8.609,1111 20.751,1112 3.888,1113 12.35,1114 15.313,1115 7.363,1116 24.593,1117 11.768,1118 2.255,1119 6.996,1120 22.521,1121 3.565,1122 13.425,1123 16.728,1124 8.113,1125 26.797,1126 12.806,1127 1.982,1128 6.165,1129 24.297,1130 3.181,1131 14.423,1132 17.972,1133 8.727,1134 28.929,1135 13.73,1136 1.577,1137 5.412,1138 26.077,1139 2.876,1140 15.479,1141 19.355,1142 9.443,1143 31.116,1144 14.742,1145 1.399,1146 3.842,1147 27.86,1148 2.593,1149 16.5,1150 20.638,1151 10.083,1152 33.267,1153 15.693,1154 7073,1155 13613,1156 16.701,1157 29.943,1158 38.606,1159 39.277,1160 38.721,1161 37.818,1162 37.471,1163 48.59,1164 7.282,1165 100.679,1166 35.431,1167 5.166,1168 5.71,1169 5.865,1170 4.878,1171 4.9,1172 6.888,1173 3.435,1174 15.237,1175 4.744,1176 14.189,1177 1.485,1178 1.511,1179 1.489,1180 1.455,1181 1.441,1182 1.869,1183 0.28,1184 3.872,1185 1.363,1186 3.951,1187 3.973,1188 4.093,1189 3.866,1190 7.433,1191 3.861,1192 3.901,1193 3.913,1194 3.873,1195 3.776,1196 7.424,1197 3.792,1198 3.743,1199 3.791,1200 3.682,1201 3.553,1202 5.091,1203 3.568,1204 3.474,1205 3.537,1206 3.589,1207 3.304,1208 5.019,1209 3.295,1210 3.405,1211 3.43,1212 3.366,1213 3.221,1214 4.632,1215 3.242,1216 3.023,1217 3.104,1218 3.292,1219 2.863,1220 4.235,1221 2.849,1222 2.88,1223 2.922,1224 3.052,1225 2.787,1226 4.16,1227 2.764,1228 2.827,1229 2.879,1230 2.805,1231 2.652,1232 4.077,1233 2.654,1234 0.163,1235 0.143,1236 0.235,1237 0.148,1238 0.112,1239 4.248,1240 0.15,1241 3.71,1242 0.075,1243 6.101,1244 0.342,1245 3.841,1246 0.106,1247 2.9,1248 3.888,1249 1.96,1250 8.889,1251 2.744,1252 1.878,1253 1.86,1254 1.955,1255 1.988,1256 1.198,1257 1.983,1258 1.736,1259 1.696,1260 1.92,1261 1.914,1262 1.059,1263 1.92,1264 1.597,1265 1.548,1266 1.781,1267 1.75,1268 0.868,1269 1.762,1270 1.435,1271 1.386,1272 1.646,1273 1.645,1274 0.784,1275 1.646,1276 1.383,1277 1.346,1278 1.57,1279 1.586,1280 0.573,1281 1.584,1282 1.101,1283 1.085,1284 1.322,1285 1.399,1286 0.454,1287 1.358,1288 0.907,1289 0.848,1290 1.182,1291 1.178,1292 0.184,1293 1.194,1294 0.868,1295 0.824,1296 1.107,1297 1.033,1298 0.143,1299 1.075,1300 3.97,1302 5.242,1303 2.398,1304 6.681,1305 4.443,1306 8.201,1307 6.26,1308 9.766,1310 1.935,1311 11.872,1315 1.118,1317 2.685,1321 1.457,1326 28.583,1327 74.457,1328 161.19,1329 206.965,1330 222.574,1331 222.574,1332 222.574,1333 63.402,1334 6.378,1335 62.55,1336 62.55,1337 11,1338 11.975,1339 3.907,1340 3.248,1341 51.636,1342 96,1343 92,1344 0.253,1345 187.47,1346 331.11,1347 449.186,1348 4369,1349 4.7,1350 18.234,1351 0.729,1352 0.607,1353 19.234,1354 15.18,1355 11.99,1356 0.461,1357 0.327,1358 7.704,1359 10.957,1360 7.454,1361 6.216,1362 12.568,1363 8.503,1364 10.486,1365 0.308,1366 0.18,1367 11.265,1368 6.125,1369 7.989,1370 0.2,1371 0.096,1372 8.604,1373 3.826,1374 6.247,1375 0.133,1376 0.055,1377 6.928,1378 2.592,1379 4.383,1380 0.089,1381 0.029,1382 4.81,1383 1.435,1384 0.402,1385 81.339,1386 0.245,1387 24.669,1388 0.681,1389 120,1390 425.591,1391 163.479,1392 463.571,1393 593,1394 428,1395 134,1396 372.432,1397 167.683,1398 392.555,1399 565.16,1400 368,1401 4.753}
{0 CHEMBL1507539,1 1.568,2 9.348,3 1.323,4 1.751,5 82.714,6 7.358,7 0.231,8 3.887,9 3.994,10 3.452,11 3.383,12 4.906,13 3.379,14 4.51,15 4.661,16 3.881,17 3.811,18 5.553,19 3.794,20 4.833,21 5.036,22 3.923,23 3.944,24 5.854,25 3.896,26 4.818,27 5.034,28 3.799,29 3.841,30 5.881,31 3.785,32 4.682,33 4.907,34 3.621,35 3.677,36 5.868,37 3.608,38 4.527,39 4.776,40 3.44,41 3.535,42 5.551,43 3.446,44 4.35,45 4.589,46 3.392,47 3.433,48 5.361,49 3.372,50 4.288,51 4.506,52 3.292,53 3.409,54 5.32,55 3.343,56 0.074,57 0.624,58 9.206,59 4.241,60 7.836,61 5.333,62 0.393,63 1.039,64 19.252,65 7.156,66 27.626,67 9.451,68 0.665,69 1.276,70 29.348,71 9.376,72 53.362,73 12.699,74 0.668,75 1.21,76 29.573,77 8.807,78 64.84,79 12.113,80 0.741,81 1.041,82 26.224,83 7.569,84 98.047,85 10.639,86 0.568,87 0.901,88 22.51,89 6.711,90 63.117,91 9.756,92 0.39,93 0.79,94 18.337,95 5.558,96 41.31,97 8.027,98 0.326,99 0.732,100 17.005,101 5.504,102 37.362,103 7.468,104 5,105 38,106 0.276,107 0.57,108 0.711,109 0.795,110 0.825,111 0.842,112 3.189,113 0.947,114 -3.55,115 -3.52,116 -3.36,120 39.5,122 5,126 2,128 1,132 1,143 4,144 2,159 2,170 1,174 10,176 2,177 7,180 1,182 1,185 10,188 2,189 10,192 1,194 2,197 5,200 1,201 8,204 1,206 2,213 2,214 6,217 1,219 1,226 2,227 5,232 2,239 1,240 7,245 2,247 2,252 7,257 1,260 6,264 4,271 9,274 654,275 15.69,276 15.69,277 15.69,278 15.69,279 15.69,280 14.779,281 14.955,282 9.104,283 15.831,284 12.814,285 12.814,286 12.814,287 12.814,288 12.814,289 11.328,290 17.947,291 4.283,292 13.034,293 3.859,294 2.191,295 1.395,296 0.919,297 0.744,298 0.651,299 3.887,305 1,306 1,307 1,308 479,309 2.646,312 53.58,313 179.047,317 95.878,320 1.319,321 31.614,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 51,333 215,334 4.496,335 3.879,336 7.23,337 4.373,338 3.389,339 4.075,340 1.392,341 12.794,342 3.336,343 4.384,344 3.788,345 6.762,346 4.188,347 3.191,348 3.387,349 1.058,350 10.993,351 3.178,352 3.719,353 3.419,354 5.886,355 3.476,356 2.503,357 2.934,358 0.98,359 8.062,360 2.433,361 3.473,362 2.631,363 5.38,364 3.196,365 2.193,366 2.676,367 0.532,368 6.687,369 2.182,370 3.195,371 2.359,372 5.097,373 2.99,374 2.02,375 2.258,377 5.964,378 1.946,379 2.81,380 1.923,381 3.899,382 2.575,383 1.576,384 1.897,386 3.31,387 1.573,388 2.572,389 1.646,390 3.807,391 2.412,392 1.418,393 1.571,395 3.133,396 1.407,397 2.531,398 1.5,399 3.732,400 2.031,401 1.024,402 1.497,404 2.553,405 1.027,406 2.143,407 1.35,408 3.699,409 2,410 1,411 1,413 2.23,414 1,415 2,416 1.262,417 3.664,418 1.717,419 0.789,420 0.885,422 1.948,423 0.711,424 1.749,425 1,426 3.408,427 1.554,428 0.555,429 0.689,431 1.425,432 0.549,433 1,434 0.495,435 3.096,436 0.901,437 -0.085,438 -0.089,440 -0.232,441 -0.084,442 0.926,443 0.151,444 2.723,445 0.67,446 -0.32,447 -0.341,449 -0.844,450 -0.317,451 0.761,452 -0.113,453 2.499,454 0.467,455 -0.564,456 -0.708,458 -1.371,459 -0.569,460 0.606,461 -0.468,462 2,463 0.126,464 -0.888,465 -1,467 -2.127,468 -0.898,469 10.633,470 0.462,471 0.59,472 0.026,473 24.25,474 1.054,475 9,476 0.391,477 15.25,478 0.663,479 21.305,480 0.926,481 25.967,482 0.604,483 16.862,484 0.733,485 4.441,486 0.193,487 6.727,488 0.292,489 0.063,490 0.047,491 0.273,496 0.7,497 1.265,498 0.753,499 1.183,500 0.537,501 1.01,502 0.847,503 1.232,504 0.875,505 1.14,506 0.557,507 1.031,508 1.186,509 1.01,510 1.001,511 0.963,512 0.814,513 0.95,514 1.312,515 1.046,516 1.084,517 0.998,518 1.201,519 0.994,520 1.164,521 0.98,522 1.071,523 0.943,524 1.228,525 0.977,526 0.871,527 0.932,528 0.912,529 0.902,530 0.976,531 0.906,532 0.892,533 0.904,534 0.863,535 0.869,536 0.839,537 0.842,538 1.205,539 0.882,540 1.054,541 0.931,542 1.278,543 0.946,544 5,545 0.033,546 2.667,547 2.104,548 1.45,549 0.656,550 0.46,551 0.276,552 0.231,553 0.096,554 5839,555 14228,556 2.157,557 46.5,558 6,559 9,562 1,565 4,567 1.657,568 2.044,569 3.208,570 -0.284,571 1,572 1,574 1,575 67.404,576 1.568,577 3.235,578 4.032,579 4.507,580 4.682,581 4.775,582 2.644,583 4.263,584 4.499,585 3.315,586 838.646,587 7.74,588 9296.02,590 1,593 233.329,594 1.445,595 4.459,596 0.192,597 0.004,598 0.07,599 0.055,600 0.045,601 0.025,602 0.021,603 0.013,604 0.012,605 0.006,606 0.443,607 0.5,608 1,609 0.503,610 106.528,611 0.005,612 -0.019,613 0.073,614 -0.043,615 -0.016,616 0.016,617 0.11,618 -0.109,619 0.041,620 -0.095,621 0.06,622 -0.053,623 -0.063,624 -0.023,625 -0.008,626 0.007,627 0.006,628 0.005,629 -0.124,630 -0.088,631 -0.066,632 -0.062,633 -0.057,634 -0.056,635 0.023,636 -0.035,637 -0.045,638 -0.021,639 0.103,640 -0.043,641 0.113,642 0.003,643 0.095,644 0.029,645 0.056,646 0.059,647 0.039,648 0.088,649 0.125,650 0.07,651 0.035,652 0.121,653 -0.176,654 0.101,655 -0.071,656 0.039,657 -0.143,658 0.02,659 1.925,660 5.533,661 0.87,662 16.318,663 1.011,664 1.13,665 2.316,666 5.362,667 0.644,668 3.296,669 3.664,670 3.97,671 4.263,672 4.477,673 4.489,674 4.595,675 4.718,676 4.828,677 4.844,678 5.472,679 0.62,680 316.39,681 3.296,682 4.86,683 5.733,684 6.64,685 7.529,686 8.438,687 9.332,688 10.241,689 11.138,690 12.047,691 4.7,698 2,709 4,714 2,716 6,738 43,739 8,740 1,741 26,743 46,744 17,745 6,746 2,747 4,748 2,752 4,753 5,763 7,766 7,768 8,769 9,772 2,778 2,782 2,785 1,786 1,789 20,790 6,791 1,792 6,797 2,801 1,803 0.5,804 4,822 1,823 3,827 1,854 2,855 2,862 23,869 7,871 1,872 2,874 1,875 1,876 1,886 9.3,889 2,890 2,893 11.25,894 7.533,895 4.944,896 2.839,898 1.327,899 1.181,900 0.975,901 3.778,902 8.667,903 3.466,904 3.961,905 4.451,906 4.912,907 5.332,908 5.375,909 5.611,910 5.728,911 6.014,912 6.013,913 1,914 38,915 8.637,917 3.896,918 7.815,919 16.567,921 14.44,924 2.315,925 53.25,929 223.651,930 73.056,931 20.89,933 72.29,936 73.056,937 295.941,938 20.89,940 40.261,941 37.905,942 81.699,943 6.371,945 223.651,947 223.651,948 93.946,949 72.29,952 176.567,953 97.374,954 22,956 40.261,957 53.685,960 223.651,961 93.18,962 73.056,965 223.651,966 35.151,967 40.907,968 17.888,969 72.29,970 223.651,971 93.18,972 73.056,973 0.59,974 0.357,975 0.199,976 0.106,977 21,978 8,979 0.043,980 2,981 1,982 1.15,983 3.537,984 193.612,985 0.1,986 21,987 100.042,993 14.973,994 5.803,995 2.724,997 93.18,998 6.853,1003 0.851,1005 17.888,1006 389.887,1007 31,1013 24.666,1017 -0.458,1020 43.465,1021 48.571,1022 0.289,1023 0.596,1024 0.743,1025 0.831,1026 0.863,1027 0.88,1028 4.758,1029 1.024,1030 5.759,1031 3.133,1032 4.344,1033 4.644,1034 2.262,1035 6.65,1036 4.311,1037 5.938,1038 1,1039 7.371,1040 2.553,1041 4.111,1042 4.477,1044 7.947,1045 4.088,1046 7.258,1047 0.789,1048 9.097,1049 2.23,1050 6.061,1051 6.675,1052 2.566,1053 10.997,1054 6.001,1055 8.611,1056 0.555,1057 10.893,1058 1.948,1059 6.673,1060 7.334,1062 13.109,1063 6.62,1064 10.002,1065 -0.085,1066 12.735,1067 1.425,1068 8.125,1069 9.053,1070 3.003,1071 15.759,1072 8.044,1073 11.416,1074 -0.32,1075 14.607,1076 -0.232,1077 9.088,1078 10.078,1080 18.144,1081 9.008,1082 12.849,1083 -0.564,1084 16.501,1085 -0.844,1086 10.369,1087 11.618,1088 3.526,1089 20.696,1090 10.269,1091 3.389,1092 -0.888,1093 18.41,1094 -1.371,1095 11.475,1096 12.819,1098 23.173,1099 11.37,1100 3.191,1101 12.794,1102 20.331,1103 -2.127,1104 12.699,1105 14.285,1106 4.104,1107 25.704,1108 12.579,1109 2.503,1110 10.993,1111 22.26,1112 4.075,1113 13.862,1114 15.576,1116 28.214,1117 13.732,1118 2.193,1119 8.062,1120 24.196,1121 3.387,1122 15.069,1123 17.009,1124 4.718,1125 30.744,1126 14.925,1127 2.02,1128 6.687,1129 26.137,1130 2.934,1131 16.255,1132 18.348,1134 33.268,1135 16.099,1136 1.576,1137 5.964,1138 28.082,1139 2.676,1140 17.458,1141 19.765,1142 5.352,1143 35.801,1144 17.288,1145 1.418,1146 3.31,1147 30.031,1148 2.258,1149 18.654,1150 21.132,1152 38.333,1153 18.471,1154 5455,1155 8665,1156 17.682,1157 27.682,1158 39.911,1159 41.788,1160 41.164,1161 39.279,1162 39.313,1163 45.736,1164 7.922,1165 118.2,1166 38.683,1167 5.496,1168 5.879,1169 6.962,1170 5.416,1171 5.389,1172 7.075,1173 2.783,1174 20.31,1175 5.336,1176 8.061,1177 1.535,1178 1.607,1179 1.583,1180 1.511,1181 1.512,1182 1.759,1183 0.305,1184 4.546,1185 1.488,1186 4.011,1187 4.037,1188 3.966,1189 3.906,1190 7.437,1191 3.914,1192 3.907,1193 3.937,1194 3.813,1195 3.763,1196 7.42,1197 3.765,1198 3.626,1199 3.684,1200 3.499,1201 3.45,1202 4.844,1203 3.455,1204 3.403,1205 3.451,1206 3.31,1207 3.159,1208 4.686,1209 3.192,1210 3.172,1211 3.206,1212 3.136,1213 2.949,1214 4.16,1215 2.983,1216 3.111,1217 3.181,1218 2.866,1219 2.941,1220 4.059,1221 2.91,1222 3.01,1223 3.065,1224 2.854,1225 2.842,1226 3.873,1227 2.834,1228 2.806,1229 2.892,1230 2.597,1231 2.584,1232 3.635,1233 2.575,1234 0.173,1235 0.149,1236 0.278,1237 0.168,1238 0.13,1239 4.496,1240 0.157,1241 3.879,1242 0.054,1243 7.23,1244 0.492,1245 4.373,1246 0.128,1247 3.389,1248 4.075,1249 1.392,1250 12.794,1251 3.336,1252 1.942,1253 1.923,1254 2.062,1255 2.064,1256 1.444,1257 2.048,1258 1.842,1259 1.795,1260 2.028,1261 2.001,1262 1.174,1263 2.022,1264 1.578,1265 1.525,1266 1.791,1267 1.791,1268 1.083,1269 1.794,1270 1.258,1271 1.216,1272 1.513,1273 1.534,1274 0.825,1275 1.51,1276 1.153,1277 1.084,1278 1.443,1279 1.401,1280 0.719,1281 1.429,1282 1.129,1283 1.064,1284 1.39,1285 1.376,1286 0.544,1287 1.394,1288 1.029,1289 1.012,1290 1.217,1291 1.274,1292 0.303,1293 1.235,1294 0.808,1295 0.723,1296 1.151,1297 1.068,1298 0.228,1299 1.098,1300 3.97,1302 5.323,1303 2.398,1304 6.884,1305 4.727,1306 8.54,1307 6.823,1308 10.244,1315 6.025,1317 2.65,1318 11.991,1320 -0.206,1321 1.348,1322 -0.469,1326 26.643,1327 67.404,1328 139.116,1329 173.355,1330 193.82,1331 201.329,1332 205.329,1333 44.197,1334 7.34,1335 73.32,1336 73.32,1337 23,1338 12.565,1339 3.17,1340 2.585,1341 31.903,1342 76,1343 71,1344 0.209,1345 159.203,1346 286.28,1347 380.216,1348 14889,1350 15.864,1351 0.69,1352 0.562,1353 15.864,1354 12.917,1355 11.168,1356 0.43,1357 0.316,1358 8.073,1359 10.655,1360 7.977,1361 6.497,1362 11.168,1363 8.205,1364 10.35,1365 0.272,1366 0.169,1367 10.35,1368 6.424,1369 9.054,1370 0.174,1371 0.092,1372 9.054,1373 4.799,1374 7.787,1375 0.111,1376 0.052,1377 7.787,1378 3.638,1379 6.378,1380 0.073,1381 0.03,1382 6.378,1383 2.608,1384 0.323,1385 70.763,1386 0.238,1387 22.345,1388 0.587,1389 128,1390 390.92,1391 146.197,1392 360.164,1393 489.52,1394 338,1395 154,1396 360.246,1397 173.005,1398 353.545,1399 530.7,1400 335,1401 4.102}
{0 CHEMBL1507740,1 1.784,2 9.136,3 3.218,4 10.358,5 85.867,6 8.733,7 0.667,8 3.708,9 3.808,10 3.467,11 3.287,12 4.889,13 3.261,14 4.198,15 4.344,16 3.81,17 3.617,18 5.408,19 3.57,20 4.307,21 4.478,22 3.864,23 3.667,24 5.435,25 3.604,26 4.208,27 4.369,28 3.792,29 3.65,30 5.349,31 3.569,32 4.294,33 4.484,34 3.681,35 3.623,36 5.41,37 3.523,38 4.256,39 4.442,40 3.657,41 3.543,42 5.443,43 3.472,44 4.108,45 4.273,46 3.528,47 3.373,48 5.427,49 3.339,50 4.064,51 4.289,52 3.094,53 3.227,54 5.137,55 3.144,56 0.071,57 0.565,58 5.863,59 3.245,60 5.625,61 3.588,62 0.348,63 0.897,64 14.627,65 5.558,66 26.724,67 6.086,68 0.37,69 0.94,70 18.933,71 6.429,72 30.413,73 6.779,74 0.214,75 0.904,76 13.882,77 5.466,78 22.581,79 6.186,80 0.34,81 0.923,82 18.674,83 6.64,84 31.818,85 7.415,86 0.363,87 0.898,88 19.822,89 6.186,90 32.145,91 6.471,92 0.348,93 0.753,94 12.976,95 4.531,96 29.882,97 5.076,98 0.243,99 0.672,100 13.123,101 4.544,102 23.405,103 5.579,104 10,105 32,106 0.321,107 0.647,108 0.776,109 0.833,110 0.847,111 0.847,112 3.147,113 0.976,114 -4.44,115 -4.37,116 -4.12,120 41.7,121 1,126 2,143 6,144 1,147 1,149 1,154 1,159 1,163 1,167 1,174 6,176 5,177 5,185 8,188 1,189 6,197 5,201 8,209 3,213 2,214 8,222 4,226 2,227 6,235 2,239 4,240 7,247 2,252 6,264 6,271 1,274 670,275 15.215,276 15.215,277 15.215,278 15.215,279 15.215,280 13.243,281 6.139,282 9.326,283 15.809,284 11.851,285 11.851,286 11.851,287 11.851,288 11.851,289 8.833,290 4.171,291 4.38,292 12.725,293 3.386,294 1.578,295 0.862,296 0.542,297 0.465,298 0.465,299 3.83,305 1,306 1,307 1,308 427,309 3.082,312 47.662,313 118.45,316 86.463,320 1.343,321 19.54,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48,333 201,334 4.572,335 4.487,336 6.571,337 4.054,338 3.128,339 4.514,340 3.42,341 10.473,342 2.915,343 4.083,344 3.672,345 6.074,346 3.665,347 2.696,348 3.682,349 2.218,350 8.796,351 2.591,352 3.674,353 2.996,354 5.25,355 3.323,356 2.381,357 2.927,358 0.277,359 6.458,360 2.219,361 3.456,362 2.695,363 4.993,364 2.951,365 2.055,366 2.77,368 5.898,369 1.846,370 3.304,371 2.4,372 4.539,373 2.796,374 1.822,375 2.676,377 4.666,378 1.747,379 2.751,380 1.827,381 3.813,382 2.231,383 1.272,384 1.87,386 2.985,387 1.218,388 2.5,389 1.809,390 3.47,391 2.025,392 1.136,393 1.5,395 2.408,396 1,397 2.5,398 1.288,399 3.429,400 2,401 1,402 1.5,404 2.289,405 0.995,406 2.266,407 1.082,408 3.247,409 1.932,410 1,411 1.225,413 2.136,414 0.929,415 2.113,416 1,417 3.191,418 1.712,419 0.805,420 1.018,422 1.684,423 0.714,424 1.678,425 1,426 2.79,427 1.241,428 0.347,429 0.436,431 0.765,432 0.301,433 0.977,434 0.409,435 2.507,436 0.496,437 -0.417,438 -0.51,440 -0.831,441 -0.371,442 0.782,443 0.192,444 2.406,445 0.402,446 -0.562,447 -0.694,449 -1.199,450 -0.537,451 0.657,452 -0.325,453 1.898,454 0.335,455 -0.656,456 -0.868,458 -1.578,459 -0.63,460 0.5,461 -0.531,462 1.646,464 -1,465 -1.5,467 -2.347,468 -0.94,469 10.6,470 0.482,471 0.397,472 0.018,473 30.5,474 1.386,475 16,476 0.727,477 14.5,478 0.659,479 15.117,480 0.687,481 23,482 0.639,483 19.963,484 0.907,485 5.954,486 0.271,487 4.821,488 0.219,489 0.079,491 0.274,496 0.713,497 1.244,498 0.675,499 0.975,500 0.591,501 0.902,502 0.771,503 1.017,504 0.999,505 1.054,506 0.6,507 0.914,508 1.207,509 1.009,510 0.985,511 0.984,512 1.107,513 0.829,514 0.922,515 1.177,516 0.962,517 1.043,518 1.089,519 1,520 0.921,521 1.065,522 1.189,523 1.097,524 1.199,525 1.008,526 1.167,527 1.092,528 1.418,529 1.201,530 1.046,531 0.961,532 1.022,533 1.106,534 1.082,535 1.109,536 0.944,537 1.08,538 1.161,539 0.958,540 0.966,541 0.948,542 1.027,543 1.094,544 3.5,545 0.033,546 2.222,547 0.938,548 0.916,549 0.618,550 0.342,551 0.306,552 0.156,553 0.085,554 4781,555 14827,556 2.097,557 38.9,559 10,561 1,564 3,567 1.649,568 2,569 3.167,570 -0.672,571 1,572 1,574 1,575 64.211,576 1.784,577 3.592,578 4.308,579 4.628,580 4.705,581 4.705,582 2.681,583 4.187,584 4.426,585 3.291,586 760.132,587 7.626,588 8342.78,589 1,590 1,591 1,592 1,593 186.117,594 1.241,595 4.407,596 0.146,597 0.005,598 0.069,599 0.03,600 0.032,601 0.023,602 0.013,603 0.013,604 0.01,605 0.008,606 0.348,607 0.17,608 1,609 1.531,610 100.685,611 0.02,612 -0.152,613 0.074,614 -0.052,615 -0.039,616 -0.035,617 0.219,618 0.062,619 0.013,620 -0.027,621 0.116,622 -0.005,623 -0.111,625 0.126,626 0.095,627 -0.113,628 0.135,629 -0.119,630 -0.12,631 0.04,632 -0.009,633 -0.119,634 -0.057,635 0.006,636 -0.055,637 -0.072,638 -0.017,639 -0.092,640 -0.02,641 -0.073,642 -0.025,643 -0.189,644 -0.081,645 0.007,646 -0.007,647 0.165,648 -0.057,649 -0.169,650 -0.202,651 0.216,652 -0.21,653 -0.189,654 -0.038,655 -0.16,656 -0.114,657 -0.063,658 -0.131,659 1.918,660 4.542,661 0.682,662 17.678,663 1.015,664 1.122,665 3.207,666 10.286,667 0.705,668 3.219,669 3.497,670 3.761,671 4.025,672 4.22,673 4.331,674 4.5,675 4.575,676 4.543,677 4.477,678 5.402,679 0.676,680 314.4,681 3.219,682 4.727,683 5.565,684 6.428,685 7.29,686 8.166,687 9.04,688 9.923,689 10.805,690 11.692,691 11.1,699 1,701 3,708 1,709 7,710 3,714 3,716 16,738 36,739 17,740 1,741 24,743 38,744 15,745 11,746 1,747 5,752 3,753 4,759 1,768 12,769 3,772 1,778 1,782 1,785 1,786 1,789 14,790 5,792 7,793 1,797 4,803 0.667,804 2,817 1,822 1,823 2,826 1,841 1,855 2,856 1,857 1,859 1,862 22,869 2,872 1,873 1,883 1,886 5.6,889 1,891 1,893 11,894 6.883,895 5,896 2.18,898 3.105,899 1.454,900 0.976,901 4.589,902 9.939,903 3.526,904 4.123,905 4.739,906 5.366,907 5.901,908 6.282,909 6.78,910 7.197,911 7.411,912 7.684,913 1,914 31,915 8.08,917 3.341,918 7.803,919 15.253,921 11.981,924 2.303,925 50.667,929 164.795,930 127.555,931 51.398,933 36.145,935 32.22,936 95.335,937 200.94,938 51.398,939 8.825,940 5.492,941 56.857,942 94.341,943 29.133,945 185.244,947 164.795,948 146.733,949 36.145,950 32.22,952 129.482,953 71.458,956 29.265,957 67.234,958 50.234,959 32.22,960 164.795,961 87.543,962 127.555,965 164.795,966 53.254,967 75.465,969 86.379,970 164.795,971 87.543,972 127.555,973 0.561,974 0.325,975 0.18,976 0.093,977 15,978 6,979 0.158,980 6,981 1,982 1.133,983 3.472,984 169.355,985 0.133,986 15,987 94.107,989 1,993 14.855,994 6.797,995 3.416,996 0.507,997 86.379,998 13.179,999 12.777,1003 2.591,1006 379.893,1007 33,1013 11.542,1017 -0.251,1020 36.556,1021 40.408,1022 0.345,1023 0.695,1024 0.833,1025 0.895,1026 0.91,1027 0.91,1028 4.718,1029 1,1030 5.517,1031 2.408,1032 4.174,1033 4.808,1034 3.48,1035 6.297,1036 4.043,1037 5.914,1038 1,1039 7.048,1040 2.289,1041 3.611,1042 4.543,1043 2.243,1044 7.14,1045 3.44,1046 7.209,1047 0.805,1048 8.685,1049 2.136,1050 5.72,1051 7.046,1052 5.683,1053 10.257,1054 5.464,1055 8.548,1056 0.347,1057 10.387,1058 1.684,1059 6.043,1060 7.695,1061 4.601,1062 11.977,1063 5.728,1064 9.923,1065 -0.417,1066 12.131,1067 0.765,1068 7.566,1069 9.616,1070 8.04,1071 14.584,1072 7.187,1073 11.325,1074 -0.562,1075 13.906,1076 -0.831,1077 8.306,1078 10.703,1079 7.073,1080 16.656,1081 7.857,1082 12.746,1083 -0.656,1084 15.701,1085 -1.199,1086 9.586,1087 12.381,1088 10.446,1089 19.089,1090 9.08,1091 3.128,1092 -1,1093 17.511,1094 -1.578,1095 10.529,1096 13.685,1097 9.629,1098 21.309,1099 9.946,1100 2.696,1101 10.473,1102 19.334,1103 -2.347,1104 11.71,1105 15.259,1106 12.87,1107 23.68,1108 11.068,1109 2.381,1110 8.796,1111 21.165,1112 4.514,1113 12.749,1114 16.667,1115 12.213,1116 25.965,1117 12.03,1118 2.055,1119 6.458,1120 23.003,1121 3.682,1122 13.893,1123 18.198,1124 15.301,1125 28.314,1126 13.111,1127 1.822,1128 5.898,1129 24.848,1130 2.927,1131 14.979,1132 19.656,1133 14.795,1134 30.629,1135 14.12,1136 1.272,1137 4.666,1138 26.697,1139 2.77,1140 16.111,1141 21.17,1142 17.735,1143 32.972,1144 15.184,1145 1.136,1146 2.985,1147 28.55,1148 2.676,1149 17.22,1150 22.652,1151 17.364,1152 35.3,1153 16.217,1154 4719,1155 8450,1156 16.296,1157 25.387,1158 35.543,1159 38.704,1160 36.07,1161 35.236,1162 35.286,1163 48.236,1164 11.83,1165 97.115,1166 32.954,1167 5.454,1168 6.487,1169 6.373,1170 5.196,1171 5.128,1172 7.514,1173 6.747,1174 17.423,1175 4.915,1176 8.506,1177 1.481,1178 1.613,1179 1.503,1180 1.468,1181 1.47,1182 2.01,1183 0.493,1184 4.046,1185 1.373,1186 4.09,1187 4.145,1188 4.158,1189 3.946,1190 7.432,1191 3.956,1192 3.843,1193 3.883,1194 3.805,1195 3.73,1196 5.208,1197 3.735,1198 3.624,1199 3.647,1200 3.697,1201 3.413,1202 4.761,1203 3.414,1204 3.352,1205 3.409,1206 3.358,1207 3.219,1208 4.465,1209 3.188,1210 3.255,1211 3.308,1212 3.165,1213 3.1,1214 4.345,1215 3.101,1216 2.875,1217 2.925,1218 2.956,1219 2.745,1220 3.991,1221 2.738,1222 2.854,1223 2.911,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.61,1229 2.678,1230 2.543,1231 2.416,1232 3.669,1233 2.412,1234 0.19,1235 0.187,1236 0.274,1237 0.169,1238 0.13,1239 4.572,1240 0.188,1241 4.487,1242 0.143,1243 6.571,1244 0.436,1245 4.054,1246 0.121,1247 3.128,1248 4.514,1249 3.42,1250 10.473,1251 2.915,1252 1.952,1253 1.924,1254 2.041,1255 2.067,1256 1.133,1257 2.055,1258 1.72,1259 1.683,1260 1.812,1261 1.878,1262 0.957,1263 1.87,1264 1.519,1265 1.476,1266 1.759,1267 1.785,1268 0.909,1269 1.783,1270 1.311,1271 1.257,1272 1.498,1273 1.531,1274 0.706,1275 1.538,1276 1.211,1277 1.134,1278 1.35,1279 1.5,1280 0.224,1281 1.469,1282 0.965,1283 0.914,1284 1.181,1285 1.147,1286 0.218,1287 1.141,1288 0.886,1289 0.821,1290 1.109,1291 1.062,1292 0.189,1293 1.107,1294 0.691,1295 0.644,1296 0.997,1297 0.917,1298 0.112,1299 0.949,1300 3.892,1302 5.176,1303 2.398,1304 6.661,1305 4.595,1306 8.243,1307 6.605,1308 9.882,1310 1.79,1315 0.602,1318 4.951,1319 1.357,1326 24.336,1327 64.211,1328 129.305,1329 155.098,1330 166.608,1331 169.362,1332 169.362,1333 29.117,1334 6.834,1335 69.38,1336 94.68,1337 17,1338 12.224,1339 4.17,1340 3.322,1341 34.318,1342 69,1343 84,1344 0.243,1345 155.357,1346 257.25,1347 370.831,1348 7469,1350 15.364,1351 0.698,1352 0.581,1353 15.717,1354 12.786,1355 10.775,1356 0.449,1357 0.325,1358 6.794,1359 9.832,1360 6.553,1361 5.443,1362 11.229,1363 7.808,1364 9.216,1365 0.288,1366 0.169,1367 9.767,1368 5.407,1369 7.663,1370 0.182,1371 0.093,1372 8.412,1373 3.899,1374 6.486,1375 0.118,1376 0.05,1377 7.235,1378 2.775,1379 4.929,1380 0.074,1381 0.028,1382 5.713,1383 1.894,1384 0.373,1385 72.532,1386 0.248,1387 21.594,1388 0.691,1389 112,1390 380.912,1391 149.171,1392 382.522,1393 522.58,1394 360,1395 130,1396 372.948,1397 165.27,1398 383.752,1399 563.36,1400 361,1401 4.642}
{0 CHEMBL1507813,1 1.784,2 4.818,3 1.004,4 1.008,5 38.609,6 8.832,7 0.833,8 3.035,9 3.123,10 2.735,11 2.476,12 4.365,13 2.538,14 3.415,15 3.513,16 3.033,17 2.76,18 4.724,19 2.82,20 3.421,21 3.59,22 2.664,23 2.527,24 4.641,25 2.538,26 3.208,27 3.385,28 2.555,29 2.361,30 4.41,31 2.379,32 2.958,33 3.125,34 2.229,35 2.113,36 4.207,37 2.108,38 2.705,39 2.93,40 1.442,41 1.608,42 3.792,43 1.539,44 2.166,45 2.474,46 0.436,47 1.19,48 2.944,49 0.952,50 1.515,51 1.922,52 0.028,53 0.457,54 1.609,55 0.245,56 0.122,57 0.253,58 2.63,59 1.308,60 7.681,61 1.312,62 0.184,63 0.353,64 4.287,65 2.082,66 9.114,67 2.176,68 0.294,69 0.314,70 5.999,71 1.898,72 18.385,73 2.054,74 0.234,75 0.26,76 4.762,77 1.495,78 11.92,79 1.845,80 0.149,81 0.194,82 3.408,83 1.23,84 8.889,85 1.448,86 0.163,87 0.129,88 3.601,89 0.855,90 10.447,91 1.024,92 0.055,93 0.075,94 2.099,95 0.582,96 5.869,97 0.944,98 0.036,99 0.023,100 1.697,101 0.342,102 3.543,103 0.688,104 2,105 16,106 0.394,107 0.712,108 0.816,109 0.878,110 0.878,111 0.878,112 2.525,113 0.78,114 -1.84,115 -1.9,116 -1.91,120 41.2,143 3,147 1,152 1,153 1,154 1,164 1,165 1,166 1,167 1,174 1,177 4,179 1,180 1,182 1,187 1,188 1,189 2,191 1,192 1,197 1,200 1,201 2,209 1,214 1,216 1,217 1,219 1,224 1,232 1,237 1,274 84,275 7.5,276 7.5,277 7.5,278 7.5,279 7.5,280 6.295,281 3.162,282 4.547,283 7.554,284 5.938,285 5.938,286 5.938,287 5.938,288 5.938,289 4.215,290 2.5,291 2.176,292 6.028,293 2.304,294 0.868,295 0.397,296 0.118,297 0.118,298 0.118,299 3.146,307 1,308 112,309 1.225,312 52.625,320 0.777,321 9.378,324 1,325 0.83,326 0.83,327 0.4,329 1,330 1,331 0.72,332 25,333 53,334 4.289,335 2.925,336 6.174,337 3.895,338 2.911,339 3.956,341 9.18,342 2.864,343 3.717,344 2.359,345 5.07,346 3.277,347 2.291,348 3.244,350 6.146,351 2.255,352 3.001,353 1.634,354 4.241,355 2.567,356 1.592,357 2.19,359 3.956,360 1.551,361 2.331,362 0.893,363 3.292,364 1.845,365 0.868,366 1.254,368 2.011,369 0.846,370 2.118,371 0.618,372 3.192,373 1.618,374 0.618,375 0.927,377 1.545,378 0.618,379 2.118,380 0.618,381 3,382 1.618,383 0.618,384 0.927,386 1.372,387 0.618,388 0.485,389 -0.543,390 2.134,391 0.2,392 -0.743,393 -0.872,395 -1.761,396 -0.697,397 0.189,398 -1.148,399 1.601,400 -0.185,401 -1.165,402 -1.487,404 -2.883,405 -1.146,406 -0.118,407 -1.618,408 1.161,409 -0.618,410 -1.618,411 -2.427,413 -4.059,414 -1.618,415 -0.118,416 -1.618,417 1,418 -0.618,419 -1.618,420 -2.427,422 -4.372,423 -1.618,424 -0.335,425 -1.72,426 0.732,427 -0.791,428 -1.754,429 -2.544,431 -4.852,432 -1.686,433 -0.678,434 -2,435 0.403,436 -1.008,437 -2,438 -2.741,440 -6.281,441 -1.988,469 4.967,470 0.452,471 0.226,472 0.021,473 16,474 1.455,475 8.5,476 0.773,477 7.5,478 0.682,479 4.488,480 0.408,481 11.833,482 0.696,483 8.224,484 0.748,485 3.451,486 0.314,487 1.909,488 0.174,489 0.081,491 0.302,496 0.861,497 1.003,498 0.66,499 0.933,500 1.093,501 0.758,502 0.953,503 1.29,504 0.705,505 1.205,506 0.661,507 0.958,508 1.307,509 0.843,510 1.233,511 0.897,512 1.194,513 1.025,514 0.834,515 1.032,516 0.919,517 0.936,518 0.811,519 0.93,520 0.959,521 1.064,522 1.148,523 1.236,524 0.852,525 1.251,526 1.655,527 0.981,528 1.615,529 0.858,530 1.751,531 1.162,532 0.414,533 0.852,534 1.383,535 1.215,536 1.395,537 1.5,544 2,546 1.111,547 0.375,548 0.34,549 0.111,550 0.056,554 670,555 2344,556 2.097,557 35.3,559 3,560 1,562 2,567 1.424,568 2,569 2.412,570 0.748,575 30.326,576 1.784,577 3.22,578 3.69,579 3.97,580 3.97,581 3.97,582 1.868,583 3.096,584 3.436,585 2.394,586 131.697,587 5.589,588 849.459,593 69.487,594 1.241,595 3.407,596 0.167,598 0.069,599 0.038,600 0.038,601 0.019,602 0.028,606 0.358,607 0.67,608 1,609 0.629,610 36.332,611 -0.024,612 0.123,613 0.029,614 0.036,615 -0.241,616 0.06,617 -0.035,618 -0.277,619 0.062,620 -0.222,621 0.109,622 -0.091,623 -0.214,624 0.085,625 -0.27,626 0.009,627 -0.186,628 -0.131,629 0.114,630 -0.092,631 0.043,632 -0.019,633 0.038,634 0.006,635 -0.019,636 -0.131,637 -0.22,638 -0.313,639 0.093,640 -0.33,641 -0.493,642 -0.21,643 -0.46,644 0.026,645 -0.447,646 -0.172,647 0.07,648 -0.044,649 -0.208,650 -0.286,651 -0.313,652 -0.308,653 0.584,654 0.443,655 1.751,656 1.068,657 0.955,658 1.648,659 1.378,660 1.555,661 0.909,662 3.967,663 1.037,664 1.132,665 0.606,666 0.368,667 0.673,668 2.565,669 2.833,670 3.045,671 3.258,672 3.091,673 3.045,674 2.833,675 2.565,676 1.946,678 3.11,679 0.678,680 150.15,681 2.565,682 4.043,683 4.86,684 5.707,685 6.544,686 7.394,687 8.237,688 9.087,689 9.932,690 10.782,691 11.8,695 1,701 1,709 4,710 1,712 2,714 3,716 10,728 1,738 17,739 10,741 12,743 18,744 7,745 7,752 2,753 2,768 7,788 1,789 6,790 4,791 2,792 4,796 1,797 2,803 1,804 2,822 2,855 2,862 11,863 1,886 11.8,891 2,893 5.5,894 2.95,895 2.444,896 0.84,898 1.777,899 1.35,900 0.986,901 1.434,902 6.852,903 2.89,904 3.481,905 4.047,906 4.616,907 4.627,908 4.961,909 5.124,910 5.211,911 4.925,913 1,914 10,915 3.971,916 -0.011,917 1.63,918 7.955,919 7.299,920 -0.005,921 5.592,922 0.004,924 2.455,925 27,926 0.01,929 47.084,930 53.394,931 52.494,933 19.241,936 53.394,937 66.326,938 52.494,941 73.065,942 19.597,943 27.018,944 17.22,945 35.313,947 47.084,948 105.888,949 19.241,952 47.084,953 19.241,956 7.777,957 78.514,958 19.597,960 47.084,961 71.735,962 53.394,965 47.084,966 13.226,967 40.168,969 71.735,970 47.084,971 71.735,972 53.394,973 0.571,974 0.325,975 0.177,976 0.072,977 9,978 3,979 0.056,980 1,982 1,983 2.39,984 60.803,986 10,987 38.054,993 6.487,994 2.432,995 1.144,997 71.735,998 6.747,999 3.664,1001 9.711,1003 1.564,1005 32.897,1006 172.213,1007 17,1020 17.625,1021 19.246,1022 0.436,1023 0.788,1024 0.903,1025 0.971,1026 0.971,1027 0.971,1028 4.052,1029 -1.165,1030 4.812,1031 -1.761,1032 3.497,1033 4.159,1035 5.549,1036 3.466,1037 5.246,1038 -1.618,1039 6.319,1040 -2.883,1041 2.944,1042 3.726,1044 6.293,1045 2.879,1046 6.524,1047 -1.618,1048 7.927,1049 -4.059,1050 5.004,1051 6.322,1053 9.361,1054 4.942,1055 7.848,1056 -1.754,1057 9.596,1058 -4.372,1059 5.352,1060 6.852,1062 10.995,1063 5.26,1064 9.204,1065 -2,1066 11.307,1067 -4.852,1068 6.806,1069 8.737,1071 13.518,1072 6.711,1073 10.583,1075 13.045,1076 -6.281,1077 7.545,1078 9.7,1080 15.491,1081 7.424,1082 11.979,1084 14.803,1086 8.765,1087 11.291,1089 17.831,1090 8.636,1091 2.911,1093 16.575,1095 9.681,1096 12.464,1098 19.942,1099 9.529,1100 2.291,1101 9.18,1102 18.358,1104 10.807,1105 13.928,1107 22.212,1108 10.644,1109 1.592,1110 6.146,1111 20.148,1112 3.956,1113 11.803,1114 15.203,1116 24.382,1117 11.62,1118 0.868,1119 3.956,1120 21.945,1121 3.244,1122 12.893,1123 16.612,1125 26.623,1126 12.696,1127 0.618,1128 2.011,1129 23.746,1130 2.19,1131 13.926,1132 17.936,1134 28.819,1135 13.711,1136 0.618,1137 1.545,1138 25.551,1139 1.254,1140 15.001,1141 19.322,1143 31.046,1144 14.771,1145 -0.743,1146 1.372,1147 27.359,1148 0.927,1149 16.052,1150 20.67,1152 33.254,1153 15.804,1154 704,1155 1397,1156 8.148,1157 11.443,1158 18.149,1159 17.695,1160 17.939,1161 17.84,1162 17.797,1163 24.997,1165 48.418,1166 17.505,1167 4.968,1168 4.925,1169 5.771,1170 4.903,1171 4.911,1172 6.696,1174 15.461,1175 4.852,1176 3.431,1177 1.512,1178 1.475,1179 1.495,1180 1.487,1181 1.483,1182 2.083,1184 4.035,1185 1.459,1186 3.981,1187 3.991,1188 3.948,1189 3.808,1190 5.371,1191 3.837,1192 3.675,1193 3.696,1194 3.622,1195 3.455,1196 5.049,1197 3.489,1198 2.843,1199 2.977,1200 2.675,1201 2.537,1202 4.704,1203 2.557,1204 2.439,1205 2.517,1206 2.271,1207 2.175,1208 3.621,1209 2.176,1210 2.354,1211 2.377,1212 2.231,1213 1.93,1214 3.563,1215 1.984,1216 2.223,1217 2.311,1218 2.018,1219 1.794,1220 3.14,1221 1.879,1222 1.663,1223 1.752,1224 1.492,1225 1.325,1226 2.825,1227 1.352,1228 1.327,1229 1.492,1230 0.707,1231 0.854,1232 1.704,1233 0.794,1234 0.357,1235 0.244,1236 0.514,1237 0.325,1238 0.243,1239 4.289,1240 0.33,1241 2.925,1243 6.174,1244 0.765,1245 3.895,1246 0.239,1247 2.911,1248 3.956,1250 9.18,1251 2.864,1252 1.602,1253 1.579,1254 1.712,1255 1.733,1256 0.801,1257 1.719,1258 1.409,1259 1.375,1260 1.582,1261 1.639,1262 0.571,1263 1.599,1264 1.24,1265 1.218,1266 1.376,1267 1.586,1268 0.21,1269 1.543,1270 0.777,1271 0.742,1272 1.012,1273 1.137,1275 1.077,1276 0.376,1277 0.225,1278 0.7,1279 0.901,1281 0.882,1284 0.343,1285 0.106,1287 0.198,1290 0.082,1291 0.013,1293 0.056,1300 3.219,1302 4.489,1303 3.045,1304 5.922,1305 5.209,1306 7.432,1307 7.125,1308 8.989,1313 5.314,1326 11.526,1327 30.326,1328 54.732,1329 62.732,1330 67.487,1331 67.487,1332 67.487,1333 8.573,1334 5.075,1335 65.19,1336 65.19,1337 10,1338 11.341,1339 3.459,1340 2.585,1341 15.209,1342 20,1343 17,1344 0.407,1345 73.002,1346 112.16,1347 169.884,1348 691,1350 7.682,1351 0.698,1352 0.514,1353 7.682,1354 5.65,1355 5.36,1356 0.447,1357 0.26,1358 3.042,1359 4.995,1360 3.014,1361 2.51,1362 5.36,1363 3.121,1364 4.723,1365 0.295,1366 0.131,1367 4.723,1368 2.092,1369 3.802,1370 0.19,1371 0.065,1372 3.802,1373 1.302,1374 3.108,1375 0.124,1376 0.033,1377 3.108,1378 0.83,1379 1.735,1380 0.083,1381 0.017,1382 1.735,1383 0.353,1384 0.585,1385 34.72,1386 0.35,1387 10.992,1388 1.254,1389 56,1390 218.428,1391 65.944,1392 203.792,1393 278.53,1394 190,1395 64,1396 217.232,1397 74.057,1398 211.407,1399 301.85,1400 198,1401 4.219}
{0 CHEMBL1508051,1 1.842,2 5.588,3 3.545,4 12.568,5 69.427,6 13.07,7 0.789,8 3.296,9 3.377,10 3.326,11 2.972,12 4.54,13 2.972,14 3.794,15 3.872,16 4.13,17 3.43,18 5.226,19 3.404,20 3.888,21 4.03,22 3.819,23 3.371,24 5.188,25 3.369,26 3.888,27 4.025,28 3.919,29 3.378,30 5.227,31 3.356,32 3.792,33 3.908,34 3.928,35 3.286,36 5.292,37 3.212,38 3.297,39 3.439,40 3.161,41 2.796,42 4.595,43 2.635,44 2.87,45 3.04,46 2.46,47 2.221,48 4.104,49 1.964,50 1.698,51 1.892,52 0.561,53 0.94,54 2.663,55 0.658,56 0.138,57 0.355,58 1.053,59 1.144,60 8.476,61 1.111,62 0.34,63 0.544,64 11.954,65 2.298,66 21.938,67 1.912,68 0.339,69 0.603,70 5.228,71 2.846,72 19.939,73 2.625,74 0.367,75 0.564,76 4.751,77 2.84,78 18.639,79 2.345,80 0.426,81 0.376,82 9.653,83 3.038,84 30.116,85 2.412,86 0.242,87 0.216,88 8.576,89 2.173,90 15.539,91 2.116,92 0.228,93 0.089,94 14.082,95 2.037,96 18.487,97 2.03,98 0.083,99 0.016,100 6.622,101 0.748,102 7.858,103 0.757,104 11,105 29,106 0.37,107 0.655,108 0.761,109 0.834,110 0.853,111 0.853,112 2.912,113 0.927,114 -3.34,115 -3.32,116 -3.18,120 45.5,133 1,143 4,146 1,147 2,153 2,167 2,174 3,176 1,177 2,185 5,188 1,189 8,197 1,200 2,201 8,214 9,222 3,227 1,235 6,247 3,274 218,275 11.179,276 11.179,277 11.179,278 11.179,279 11.179,280 9.535,281 5.02,282 6.4,283 11.941,284 9.404,285 9.404,286 9.404,287 9.404,288 9.404,289 6.901,290 5.532,291 3.029,292 10.943,293 2.617,294 1.198,295 0.671,296 0.307,297 0.216,298 0.216,299 3.581,302 3,306 1,307 1,308 204,309 2.915,312 23.027,313 59.831,316 43.342,317 50.875,320 0.907,321 16.988,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 37,333 95,334 4.79,335 4.023,336 7.315,337 4.301,338 3.45,339 4.817,340 2.373,341 12.633,342 3.102,343 4.27,344 3.132,345 6.628,346 3.813,347 2.998,348 3.77,350 10.468,351 2.489,352 3.883,353 2.436,354 5.792,355 3.354,356 2.413,357 3.391,359 7.769,360 2.135,361 3.223,362 1.93,363 5.056,364 2.672,365 1.812,366 2.469,368 5.702,369 1.431,370 2.943,371 1.443,372 4,373 2.432,374 1.443,375 2.164,377 3.121,378 1.409,379 2.731,380 1.29,381 3.776,382 2.201,383 1.255,384 1.836,386 3.065,387 1.095,388 2.321,389 0.827,390 3.524,391 1.782,392 0.823,393 1.232,395 2.003,396 0.786,397 2.091,398 0.682,399 3.378,400 1.562,401 0.623,402 0.905,404 1.724,405 0.557,406 1.122,407 -0.17,408 2.851,409 0.606,410 -0.329,411 -0.463,413 -0.888,414 -0.298,415 0.809,416 -0.17,417 2.389,418 0.278,419 -0.689,420 -1,422 -1.754,423 -0.4,424 0.431,425 -0.209,426 2.318,427 -0.081,428 -1,429 -1,431 -2.776,432 -0.4,433 0.078,434 -0.683,435 2,436 -0.406,437 -1,438 -1.029,440 -3,441 -0.662,443 -1.015,444 2,445 -0.6,446 -1.062,447 -1.558,449 -3,450 -1.038,452 -1.161,453 2,454 -0.6,455 -1.351,456 -1.782,458 -3.694,459 -1.258,460 -0.097,461 -1.546,462 1.553,463 -0.615,464 -1.579,465 -2.315,467 -4.964,468 -1.519,469 8.743,470 0.514,471 0.601,472 0.035,473 23.5,474 1.382,475 12,476 0.706,477 11.5,478 0.676,479 12.41,480 0.73,481 17.057,482 0.775,483 13.935,484 0.82,485 4.457,486 0.262,487 3.615,488 0.213,489 0.245,490 0.057,491 0.275,496 0.575,497 1.024,498 0.443,499 0.621,500 0.708,501 0.631,502 0.593,503 1.318,504 0.354,505 0.735,506 0.549,507 0.75,508 0.658,509 1.164,510 0.514,511 0.793,512 0.558,513 0.78,514 0.877,515 1.018,516 0.728,517 0.748,518 0.884,519 0.774,520 1.168,521 0.82,522 1.408,523 1.208,524 1.165,525 1.119,526 1.505,527 0.866,528 1.624,529 1.321,530 1.469,531 1.507,532 2.318,533 0.519,534 2.899,535 2.064,536 2.45,537 2.001,538 3.043,539 0.082,540 4.161,541 2.947,542 3.442,543 2.567,544 4,546 2.444,547 1.368,548 1.453,549 0.844,550 0.168,551 0.083,554 2016,555 9032,556 2.077,557 22.7,559 4,561 1,567 1.58,568 1.907,569 2.521,570 -0.577,574 1,575 40.524,576 1.842,577 3.261,578 3.789,579 4.152,580 4.243,581 4.243,582 1.971,583 3.455,584 4.065,585 2.601,586 353.792,587 6.919,588 3106.47,589 1,590 1,593 98.107,594 1.713,595 3.991,596 0.211,598 0.084,599 0.049,600 0.054,601 0.04,602 0.019,603 0.028,606 0.484,607 0.83,608 1,609 0.922,610 67.17,611 0.051,612 0.069,614 0.006,615 -0.154,616 -0.019,617 0.238,618 -0.298,619 0.386,620 0.015,621 0.222,622 -0.059,623 0.098,624 -0.098,625 0.111,626 0.044,627 0.151,628 0.104,629 0.002,630 0.04,631 0.057,632 0.139,633 -0.036,634 0.103,635 -0.002,636 0.078,637 -0.163,638 -0.151,639 0.049,640 -0.12,641 -0.389,642 -0.115,643 -0.301,644 -0.117,645 -0.262,646 -0.239,647 -0.784,648 0.016,649 -0.897,650 -0.475,651 -0.748,652 -0.336,653 -1.185,654 0.284,655 -1.628,656 -0.994,657 -1.348,658 -0.468,659 2.854,660 1.783,661 0.765,662 8.09,663 1.052,664 1.121,665 2.106,666 4.437,667 0.824,668 2.996,669 3.401,670 3.689,671 4.025,672 4.277,673 4.382,674 4.466,675 4.419,676 4.331,677 4.078,678 3.653,679 0.801,680 287.54,681 2.996,682 4.575,683 5.451,684 6.382,685 7.286,686 8.218,687 9.131,688 10.062,689 10.979,690 11.909,691 18.2,699 1,701 3,708 3,709 5,710 3,714 1,716 15,738 22,739 15,740 1,741 19,743 24,744 10,745 9,746 2,747 4,752 3,753 6,754 3,759 1,765 1,768 9,769 1,786 1,789 5,790 3,792 7,793 3,797 4,803 0.333,813 1,822 1,823 2,826 1,827 1,855 1,860 3,862 17,876 1,883 1,885 3,893 8.917,894 4.145,895 3.528,896 1.225,898 3.236,899 1.493,900 0.996,901 2.487,902 9.802,903 3.314,904 4.047,905 4.771,906 5.504,907 6.129,908 6.598,909 7.068,910 7.459,911 7.727,912 7.816,913 0.75,914 28,915 6.212,917 2.756,918 7.926,919 11.447,921 9.499,924 2.426,925 41.25,926 0.001,929 58.856,930 56.142,931 51.153,932 117.446,936 56.142,937 176.301,938 51.153,941 37.905,942 61.76,943 15.112,944 121.734,945 47.084,947 58.856,948 107.295,950 117.446,952 58.856,956 15.112,957 42.193,958 167.435,960 58.856,961 51.153,962 173.588,965 58.856,966 9.189,967 48.116,969 167.435,970 58.856,971 51.153,972 173.588,973 0.604,974 0.346,975 0.197,976 0.113,977 17,978 7,981 2,982 1.308,983 2.808,984 130.164,985 0.308,986 13,987 64.732,993 11.172,994 3.784,995 1.775,996 2.105,997 49.989,998 8.986,999 12.145,1003 0.325,1006 283.596,1007 26.5,1020 23.146,1021 24.656,1022 0.413,1023 0.731,1024 0.85,1025 0.931,1026 0.952,1027 0.952,1028 4.572,1029 0.623,1030 5.517,1031 2.003,1032 4.078,1033 4.732,1034 2.142,1035 6.454,1036 3.854,1037 5.857,1038 -0.329,1039 7.162,1040 1.724,1041 4.007,1042 4.783,1043 2.554,1044 7.789,1045 3.425,1046 7.227,1047 -0.689,1048 8.923,1049 -0.888,1050 5.849,1051 7.146,1052 3.525,1053 10.859,1054 5.397,1055 8.64,1056 -1,1057 10.753,1058 -1.754,1059 6.567,1060 8.03,1061 4.322,1062 12.941,1063 5.821,1064 10.085,1065 -1,1066 12.625,1067 -2.776,1068 7.976,1069 9.893,1070 5.196,1071 15.623,1072 7.268,1073 11.554,1074 -1.062,1075 14.523,1076 -3,1077 8.997,1078 11.153,1079 6.051,1080 17.97,1081 8.08,1082 13.04,1083 -1.351,1084 16.438,1085 -3,1086 10.269,1087 12.824,1088 6.916,1089 20.539,1090 9.321,1091 3.45,1092 -1.579,1093 18.367,1094 -3.694,1095 11.408,1096 14.256,1097 7.779,1098 22.988,1099 10.308,1100 2.998,1101 12.633,1102 20.305,1103 -4.964,1104 12.639,1105 15.856,1106 8.643,1107 25.523,1108 11.471,1109 2.413,1110 10.468,1111 22.251,1112 4.817,1113 13.826,1114 17.365,1115 9.508,1116 28.016,1117 12.536,1118 1.812,1119 7.769,1120 24.202,1121 3.77,1122 15.047,1123 18.941,1124 10.372,1125 30.542,1126 13.673,1127 1.443,1128 5.702,1129 26.158,1130 3.391,1131 16.255,1132 20.483,1133 11.236,1134 33.054,1135 14.772,1136 1.255,1137 3.121,1138 28.119,1139 2.469,1140 17.476,1141 22.053,1142 12.101,1143 35.581,1144 15.901,1145 0.823,1146 3.065,1147 30.082,1148 2.164,1149 18.694,1150 23.61,1151 12.965,1152 38.102,1153 17.016,1154 2027,1155 4411,1156 12.425,1157 18.119,1158 30.186,1159 28.855,1160 30.097,1161 30.173,1162 29.634,1163 41.17,1164 4.747,1165 92.969,1166 26.008,1167 5.453,1168 6.023,1169 6.997,1170 5.373,1171 5.45,1172 7.817,1173 3.203,1174 20.524,1175 5.102,1176 7.824,1177 1.589,1178 1.519,1179 1.584,1180 1.588,1181 1.56,1182 2.167,1183 0.25,1184 4.893,1185 1.369,1186 4.178,1187 4.225,1188 4.318,1189 4.035,1190 5.279,1191 4.057,1192 3.678,1193 3.721,1194 4.046,1195 3.585,1196 5.085,1197 3.583,1198 3.366,1199 3.378,1200 3.596,1201 3.228,1202 4.736,1203 3.218,1204 2.941,1205 2.976,1206 2.992,1207 2.814,1208 4.22,1209 2.81,1210 2.862,1211 2.927,1212 2.951,1213 2.729,1214 4.11,1215 2.725,1216 2.417,1217 2.479,1218 2.951,1219 2.189,1220 4.11,1221 2.213,1222 2.099,1223 2.197,1224 2.757,1225 1.817,1226 3.746,1227 1.84,1228 1.838,1229 1.957,1230 2.468,1231 1.46,1232 3.491,1233 1.523,1234 0.252,1235 0.212,1236 0.385,1237 0.226,1238 0.182,1239 4.79,1240 0.254,1241 4.023,1242 0.125,1243 7.315,1244 0.665,1245 4.301,1246 0.163,1247 3.45,1248 4.817,1249 2.373,1250 12.633,1251 3.102,1252 2.036,1253 2.005,1254 2.091,1255 2.169,1256 1.219,1257 2.146,1258 1.568,1259 1.546,1260 1.634,1261 1.666,1262 0.786,1263 1.674,1264 1.12,1265 1.049,1266 1.239,1267 1.479,1268 0.263,1269 1.408,1270 1.041,1271 1.011,1272 1.175,1273 1.199,1274 0.173,1275 1.206,1276 0.874,1277 0.841,1278 0.798,1279 0.983,1280 0.084,1281 1.028,1282 0.518,1283 0.438,1284 0.677,1285 0.777,1287 0.776,1288 0.051,1290 0.303,1291 0.309,1293 0.34,1296 0.201,1297 0.039,1299 0.138,1300 3.664,1302 5.043,1303 2.398,1304 6.624,1305 4.595,1306 8.303,1307 6.629,1308 10.037,1311 17.683,1322 -1.604,1326 17.622,1327 40.524,1328 71.743,1329 83.353,1330 91.353,1331 93.353,1332 93.353,1333 21.035,1334 6.567,1335 43.08,1336 43.08,1337 17,1338 12.413,1339 4,1340 3.087,1341 23.437,1342 40,1343 26,1344 0.334,1345 119.125,1346 185.57,1347 282.425,1348 4947,1349 13.6,1350 12.044,1351 0.708,1352 0.622,1353 13.544,1354 10.577,1355 8.071,1356 0.425,1357 0.309,1358 4.761,1359 7.143,1360 4.594,1361 3.744,1362 8.821,1363 5.869,1364 8.175,1365 0.282,1366 0.199,1367 10.483,1368 5.759,1369 6.329,1370 0.162,1371 0.075,1372 6.885,1373 2.94,1374 5.638,1375 0.103,1376 0.038,1377 6.136,1378 2.116,1379 4.67,1380 0.066,1381 0.02,1382 5.208,1383 1.444,1384 0.478,1385 58.579,1386 0.284,1387 16.279,1388 1.072,1389 96,1390 321.191,1391 185.089,1392 402.816,1393 527.22,1394 372,1395 116,1396 332.569,1397 162.208,1398 362.37,1399 553.35,1400 340,1401 5.262}
{0 CHEMBL1508896,1 2.163,2 7.105,3 2.248,4 5.054,5 69.138,6 11.175,7 0.55,8 3.461,9 3.519,10 3.532,11 3.063,12 4.767,13 3.04,14 3.957,15 4.051,16 3.871,17 3.431,18 5.645,19 3.424,20 4.113,21 4.194,22 4.006,23 3.559,24 5.656,25 3.505,26 4.266,27 4.368,28 3.945,29 3.442,30 5.926,31 3.462,32 4.153,33 4.259,34 3.707,35 3.19,36 6.114,37 3.26,38 3.891,39 4.03,40 3.415,41 3.049,42 5.509,43 3.059,44 3.717,45 3.938,46 2.942,47 2.738,48 5.057,49 2.678,50 3.218,51 3.435,52 2.85,53 2.231,54 4.644,55 2.155,56 0.197,57 0.437,58 2.573,59 2.646,60 32.149,61 1.982,62 0.509,63 0.656,64 5.377,65 3.94,66 91.009,67 3.229,68 0.529,69 0.743,70 11.127,71 5.634,72 71.967,73 4.69,74 0.767,75 0.756,76 21.146,77 6.625,78 122.664,79 4.671,80 1.039,81 0.585,82 12.124,83 4.396,84 217.576,85 2.354,86 0.601,87 0.495,88 6.045,89 3.329,90 82.49,91 2.451,92 0.496,93 0.375,94 9.368,95 3.306,96 67.333,97 3.593,98 0.37,99 0.153,100 8.617,101 2.246,102 59.118,103 2.448,104 38,105 30,106 0.414,107 0.708,108 0.762,109 0.791,110 0.791,111 0.791,112 3.012,113 1.029,114 -4.1,115 -4.05,116 -3.83,120 37,125 1,143 4,145 2,148 1,154 1,161 1,167 2,174 2,176 4,185 4,188 5,189 4,197 4,200 6,201 6,213 4,214 6,227 10,240 5,252 2,264 2,274 417,275 11.963,276 11.963,277 11.963,278 11.963,279 11.963,280 10.021,281 10.8,282 6.731,283 12.579,284 9.797,285 9.797,286 9.797,287 9.797,288 9.797,289 6.883,290 7.914,291 3.117,292 10.895,293 2.592,294 1.051,295 0.769,296 0.621,297 0.621,298 0.621,299 3.651,303 1,306 1,307 1,308 274,309 3.391,312 55.639,313 61.785,320 1.069,321 40.724,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43.833,333 135,334 5.037,335 5.367,336 7.796,337 4.461,338 3.597,339 4.944,340 2.95,341 14.291,342 3.083,343 4.283,344 3.8,345 6.41,346 3.735,347 2.809,348 3.992,349 2.612,350 9.418,351 2.582,352 3.844,353 3.198,354 5.472,355 3.29,356 2.386,357 3.403,359 6.5,360 2.125,361 3.65,362 2.872,363 5.089,364 3.055,365 2.138,366 3.1,368 6.033,369 1.938,370 3.066,371 2.178,372 4.733,373 2.511,374 1.592,375 2.275,377 4.61,378 1.4,379 2.696,380 1.633,381 3.922,382 2.037,383 1.09,384 1.692,386 2.631,387 1.029,388 2.5,389 1.175,390 3.649,391 2,392 1,393 1.5,395 2.275,396 1,397 2.361,398 1,399 3.414,400 1.748,401 0.822,402 1.249,404 2.236,405 0.755,406 1.12,407 1,408 2.908,409 0.593,410 -0.218,411 -0.273,413 -0.481,414 -0.143,415 1,416 0.578,417 2.535,418 0.385,419 -0.508,420 -0.615,422 -1.261,423 -0.446,424 1,425 0.183,426 2,428 -1,429 -1.5,431 -2,432 -0.887,433 0.764,434 -0.239,435 2,437 -1,438 -1.525,440 -3,441 -1,442 0.5,443 -0.741,444 2,446 -1,447 -1.578,449 -3,450 -1,451 0.132,452 -0.999,453 1.808,454 -0.322,455 -1.222,456 -2,458 -3.065,459 -1,460 -0.006,461 -1,462 1.65,463 -0.549,464 -1.251,465 -2,467 -3.451,468 -1.096,469 9.081,470 0.478,471 0.75,472 0.039,473 28.75,474 1.513,475 16,476 0.842,477 12.75,478 0.671,479 11.021,480 0.58,481 20.919,482 0.775,483 21.54,484 1.134,485 5.607,486 0.295,487 3.229,488 0.17,489 0.281,490 0.092,491 0.308,496 0.408,497 1.362,498 0.674,499 1.14,500 0.607,501 0.862,502 0.642,503 0.852,504 0.651,505 0.719,506 0.524,507 0.657,508 0.727,509 1.243,510 1.203,511 1.379,512 0.767,513 1.169,514 1.138,515 1.179,516 1.347,517 1.492,518 1.265,519 1.12,520 1.54,521 0.81,522 0.632,523 0.487,524 1.548,525 0.808,526 1.111,527 1.056,528 0.833,529 0.86,530 1.013,531 1.204,532 0.938,533 0.875,534 0.711,535 0.737,536 0.873,537 1.079,538 1.151,539 0.559,540 1.026,541 0.568,542 1.177,543 0.712,544 5.5,546 3.556,547 2.375,548 1.757,549 0.681,550 0.273,551 0.227,552 0.121,554 2571,555 13027,556 1.894,557 29.6,559 7,561 1,567 1.611,568 1.689,569 2.805,570 -0.517,574 1,575 58.408,576 2.163,577 3.704,578 3.986,579 4.134,580 4.134,581 4.134,582 2.249,583 3.722,584 4.219,585 2.909,586 497.392,587 7.225,588 4732.48,589 1,590 1,592 1,593 128.382,594 1.799,595 4.109,596 0.275,598 0.119,599 0.077,600 0.057,601 0.028,602 0.016,603 0.023,604 0.02,606 0.614,607 0.5,608 1,609 0.972,610 80.055,611 0.181,612 -0.133,613 0.115,614 -0.063,615 -0.075,616 -0.025,617 0.119,618 0.262,619 0.104,620 0.22,621 0.22,622 0.209,623 0.067,624 -0.151,625 -0.132,626 -0.206,627 0.011,628 -0.215,629 -0.101,630 -0.144,631 -0.282,632 -0.335,633 -0.147,634 -0.165,635 -0.241,636 0.051,637 -0.012,638 0.269,639 -0.059,640 0.023,641 -0.173,642 -0.153,643 -0.095,644 -0.15,645 -0.122,646 -0.299,647 -0.047,648 -0.083,649 0.189,650 0.051,651 -0.072,652 0.099,653 -0.002,654 0.059,655 0.486,656 0.384,657 -0.15,658 0.62,659 4.935,660 5.344,661 0.579,662 10.898,663 1.062,664 1.127,665 2.869,666 8.231,667 0.727,668 3.045,669 3.434,670 3.689,671 3.932,672 4.025,673 3.932,674 3.761,675 3.761,676 3.611,677 3.219,678 4.301,679 0.723,680 301.73,681 3.045,682 4.615,683 5.476,684 6.392,685 7.281,686 8.2,687 9.099,688 10.02,689 10.924,690 11.845,691 11.1,699 1,701 1,702 1,709 5,710 1,714 4,715 1,716 11,731 1,737 1,738 27,739 15,740 1,741 20,743 28,744 10,745 9,746 2,747 4,752 2,753 2,754 1,768 9,769 1,772 4,775 1,776 1,778 4,786 1,789 8,790 5,792 9,793 2,794 1,797 3,803 1,804 4,822 1,823 1,855 2,857 1,859 1,860 1,862 19,865 1,885 1,886 14.8,889 2,892 2,893 11.25,894 5.243,895 4.083,896 1.343,898 2.222,899 1.365,900 0.96,901 3.519,902 8.309,903 3.418,904 4.123,905 4.66,906 5.224,907 5.623,908 5.777,909 5.82,910 6.079,911 6.224,912 6.263,913 0.8,914 31,915 7.319,917 3.567,918 8.589,919 12.382,921 10.066,924 3.089,925 58.694,929 94.169,930 69.467,931 24.355,932 39.149,933 95.06,935 6.046,936 63.421,937 228.377,938 24.355,939 14.066,941 43.951,942 81.488,943 8.072,944 2.328,945 82.398,946 89.896,947 94.169,948 87.776,949 95.06,950 45.195,952 94.169,953 44.313,954 50.747,956 11.64,957 53.681,958 67.65,960 94.169,961 119.415,962 108.616,964 6.046,965 94.169,966 8.501,967 62.489,969 150.994,970 94.169,971 119.415,972 108.616,973 0.606,974 0.357,975 0.186,976 0.099,977 15,978 8,979 0.107,980 3,982 1,983 2.882,984 141.117,986 11,987 72.711,992 1,993 13.838,994 4.831,995 2.437,997 111.845,998 6.455,999 3.483,1003 -0.862,1004 1.099,1006 322.199,1007 29.5,1010 -0.831,1011 -4.019,1013 46.311,1020 28.666,1021 30.442,1022 0.455,1023 0.779,1024 0.838,1025 0.869,1026 0.869,1027 0.869,1028 4.67,1029 0.822,1030 5.557,1031 2.275,1032 4.111,1033 4.808,1034 3.388,1035 6.5,1036 3.899,1037 5.974,1038 -0.218,1039 7.222,1040 2.236,1041 4.111,1042 5.103,1043 2.361,1044 7.947,1045 3.696,1046 7.373,1047 -0.508,1048 9.01,1049 -0.481,1050 5.889,1051 7.241,1052 5.372,1053 11.063,1054 5.412,1055 8.819,1056 -1,1057 10.874,1058 -1.261,1059 6.673,1060 8.32,1061 4.506,1062 13.332,1063 5.973,1064 10.3,1065 -1,1066 12.788,1067 -2,1068 8.065,1069 10.046,1070 7.439,1071 16.109,1072 7.279,1073 11.808,1074 -1,1075 14.738,1076 -3,1077 9.151,1078 11.429,1079 6.556,1080 18.643,1081 8.154,1082 13.337,1083 -1.222,1084 16.712,1085 -3,1086 10.44,1087 13.043,1088 9.539,1089 21.334,1090 9.326,1091 3.597,1092 -1.251,1093 18.705,1094 -3.065,1095 11.641,1096 14.546,1097 8.548,1098 23.951,1099 10.333,1100 2.809,1101 14.291,1102 20.713,1103 -3.451,1104 12.909,1105 16.133,1106 11.658,1107 26.619,1108 11.461,1109 2.386,1110 9.418,1111 22.73,1112 4.944,1113 14.154,1114 17.685,1115 10.509,1116 29.263,1117 12.527,1118 2.138,1119 6.5,1120 24.755,1121 3.992,1122 15.422,1123 19.269,1124 13.789,1125 31.925,1126 13.644,1127 1.592,1128 6.033,1129 26.787,1130 3.403,1131 16.684,1132 20.844,1133 12.452,1134 34.579,1135 14.737,1136 1.09,1137 4.61,1138 28.823,1139 3.1,1140 17.956,1141 22.431,1142 15.928,1143 37.239,1144 15.852,1145 1,1146 2.631,1147 30.863,1148 2.275,1149 19.227,1150 24.016,1151 14.386,1152 39.896,1153 16.959,1154 2724,1155 6247,1156 12.137,1157 19.625,1158 31.273,1159 33.413,1160 32.971,1161 31.111,1162 30.867,1163 44.309,1164 11.125,1165 95.989,1166 27.824,1167 5.814,1168 7.367,1169 7.21,1170 5.619,1171 5.597,1172 7.944,1173 5.9,1174 22.758,1175 5.083,1176 12.146,1177 1.564,1178 1.671,1179 1.649,1180 1.556,1181 1.543,1182 2.215,1183 0.556,1184 4.799,1185 1.391,1186 4.169,1187 4.163,1188 4.764,1189 4.141,1190 7.816,1191 4.054,1192 3.871,1193 3.899,1194 3.943,1195 3.725,1196 7.714,1197 3.737,1198 3.555,1199 3.552,1200 3.839,1201 3.373,1202 6.999,1203 3.323,1204 3.428,1205 3.429,1206 3.423,1207 2.998,1208 6.999,1209 3.092,1210 2.903,1211 3.004,1212 3.148,1213 2.735,1214 4.93,1215 2.715,1216 2.854,1217 2.925,1218 2.687,1219 2.588,1220 4.84,1221 2.604,1222 2.651,1223 2.662,1224 2.672,1225 2.548,1226 4.255,1227 2.522,1228 2.054,1229 2.101,1230 2.083,1231 1.836,1232 3.837,1233 1.856,1234 0.252,1235 0.268,1236 0.39,1237 0.223,1238 0.18,1239 5.037,1240 0.247,1241 5.367,1242 0.148,1243 7.796,1244 0.715,1245 4.461,1246 0.154,1247 3.597,1248 4.944,1249 2.95,1250 14.291,1251 3.083,1252 1.976,1253 1.997,1254 1.956,1255 2.046,1256 1.211,1257 2.072,1258 1.654,1259 1.642,1260 1.75,1261 1.91,1262 0.886,1263 1.84,1264 1.448,1265 1.38,1266 1.501,1267 1.797,1268 0.603,1269 1.756,1270 1.212,1271 1.222,1272 1.181,1273 1.444,1274 0.218,1275 1.471,1276 0.886,1277 0.821,1278 1.165,1279 1.163,1280 0.216,1281 1.158,1282 0.808,1283 0.717,1284 0.976,1285 1.062,1286 0.098,1287 1.107,1288 0.612,1289 0.59,1290 0.685,1291 0.806,1293 0.817,1294 0.293,1295 0.287,1296 0.381,1297 0.632,1299 0.598,1300 3.714,1302 5.081,1303 2.398,1304 6.642,1305 4.727,1306 8.294,1307 6.843,1308 9.997,1310 1.378,1311 5.679,1326 19.518,1327 58.408,1328 100.017,1329 107.627,1330 111.627,1331 111.627,1332 111.627,1333 50.745,1334 6.087,1335 97.78,1336 106.16,1337 11,1338 12.356,1339 4,1340 3.392,1341 33.352,1342 47,1343 55,1344 0.361,1345 130.174,1346 221.08,1347 309.385,1348 2538,1349 3.7,1350 14.207,1351 0.748,1352 0.591,1353 14.957,1354 11.22,1355 8.836,1356 0.442,1357 0.343,1358 5.044,1359 7.259,1360 4.769,1361 3.959,1362 9.914,1363 6.863,1364 8.766,1365 0.292,1366 0.2,1367 10.456,1368 6,1369 6.813,1370 0.175,1371 0.116,1372 8.451,1373 4.541,1374 5.546,1375 0.111,1376 0.064,1377 7.126,1378 3.205,1379 4.043,1380 0.074,1381 0.038,1382 5.453,1383 2.105,1384 0.531,1385 68.092,1386 0.287,1387 18.382,1388 1.11,1389 100,1390 432.941,1391 169.806,1392 459.347,1393 587.62,1394 414,1395 119,1396 373.263,1397 193.921,1398 416.603,1399 604.02,1400 385,1401 4.749}
{0 CHEMBL1509690,1 1.595,2 10.833,3 2.79,4 7.782,5 88.214,6 8.109,7 0.615,8 3.806,9 3.901,10 3.435,11 3.333,12 5.028,13 3.347,14 4.284,15 4.414,16 3.753,17 3.674,18 5.497,19 3.676,20 4.439,21 4.597,22 3.722,23 3.701,24 5.69,25 3.672,26 4.463,27 4.632,28 3.678,29 3.638,30 5.77,31 3.622,32 4.4,33 4.595,34 3.598,35 3.606,36 5.657,37 3.56,38 4.346,39 4.54,40 3.579,41 3.537,42 5.696,43 3.497,44 4.245,45 4.425,46 3.419,47 3.389,48 5.471,49 3.369,50 4.113,51 4.301,52 3.194,53 3.305,54 5.28,55 3.244,56 0.087,57 0.549,58 6.876,59 3.523,60 7.344,61 3.983,62 0.284,63 0.841,64 13.09,65 5.618,66 23.021,67 6.453,68 0.423,69 0.937,70 16.762,71 6.778,72 35.302,73 8.015,74 0.474,75 0.944,76 18.086,77 6.43,78 62.434,79 7.458,80 0.503,81 0.893,82 17.551,83 6.431,84 54.037,85 8.185,86 0.423,87 0.843,88 16.398,89 6.177,90 60.262,91 7.988,92 0.428,93 0.742,94 15.202,95 5.178,96 49.805,97 6.049,98 0.292,99 0.674,100 12.738,101 4.668,102 34.464,103 5.644,104 11,105 35,106 0.28,107 0.645,108 0.818,109 0.904,110 0.904,111 0.904,112 3.228,113 0.848,114 -2.38,115 -2.41,116 -2.37,120 45,125 1,126 1,143 7,144 2,145 1,152 2,153 2,158 1,159 1,174 6,177 6,180 1,182 2,185 5,189 6,192 2,193 1,194 2,197 5,201 3,204 1,206 3,209 3,213 2,214 3,219 2,222 2,226 1,227 4,230 2,232 3,235 2,240 3,243 1,245 4,247 2,252 1,257 1,260 1,263 2,264 3,267 1,269 1,271 1,274 826,275 16.37,276 16.37,277 16.37,278 16.37,279 16.37,280 14.31,281 13.349,282 9.721,283 16.609,284 12.75,285 12.75,286 12.75,287 12.75,288 12.75,289 9.504,290 14.717,291 4.536,292 12.995,293 3.726,294 1.645,295 0.66,296 0.169,297 0.169,298 0.169,299 3.906,305 1,306 1,307 1,308 554,309 3.391,312 149.697,313 87.307,320 1.847,321 28.755,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 53,333 260,334 4.407,335 3.616,336 6.435,337 4.053,338 3.045,339 4.031,340 1.081,341 9.872,342 3.07,343 4.124,344 3.531,345 6.019,346 3.753,347 2.761,348 3.696,349 0.86,350 8.565,351 2.731,352 3.92,353 2.829,354 5.442,355 3.526,356 2.535,357 3.479,358 0.473,359 7.111,360 2.514,361 3.766,362 2.74,363 5.347,364 3.378,365 2.402,366 3.126,368 6.951,369 2.334,370 3.326,371 2.325,372 4.994,373 2.915,374 1.939,375 2.579,377 5.651,378 1.88,379 2.865,380 1.929,381 4.177,382 2.428,383 1.457,384 1.957,386 3.681,387 1.408,388 2.68,389 1.541,390 3.624,391 2.254,392 1.259,393 1.747,395 2.743,396 1.249,397 2.595,398 1.411,399 3.467,400 2.113,401 1.117,402 1.602,404 2.565,405 1.107,406 2.267,407 1.226,408 3.373,409 1.729,410 0.739,411 1.069,413 1.816,414 0.723,415 2.137,416 0.936,417 3.255,418 1.618,419 0.618,420 0.927,422 1.422,423 0.618,424 2.118,425 0.903,426 3,427 1.563,428 0.561,429 0.867,431 1.372,432 0.559,433 1.652,434 0.699,435 2.763,436 1.293,437 0.424,438 0.479,440 0.634,441 0.365,442 1.583,443 0.618,444 2.683,445 1.283,446 0.278,447 0.362,449 0.615,450 0.276,451 0.763,452 -0.192,453 2.296,454 0.31,455 -0.686,456 -0.912,458 -1.43,459 -0.658,460 0.583,461 -0.347,462 2.04,463 0.134,464 -0.844,465 -1.097,467 -2.23,468 -0.829,469 11.133,470 0.464,471 0.503,472 0.021,473 33,474 1.375,475 17.5,476 0.729,477 15.5,478 0.646,479 15.039,480 0.627,481 25.467,482 0.637,483 24.554,484 1.023,485 7.087,486 0.295,487 4.582,488 0.191,489 0.105,491 0.314,496 0.79,497 1.198,498 0.711,499 1.044,500 0.576,501 0.884,502 1.003,503 1.062,504 0.865,505 0.967,506 0.68,507 0.894,508 1.023,509 1.057,510 1.025,511 1.092,512 0.963,513 1.075,514 1.348,515 1.115,516 1.136,517 1.034,518 1.778,519 1.032,520 0.8,521 0.953,522 0.915,523 0.934,524 1.008,525 0.941,526 0.707,527 1.073,528 0.835,529 1.055,530 0.848,531 0.993,532 1.409,533 1.024,534 1.125,535 0.925,536 1.474,537 0.953,538 1.175,539 1.098,540 1.247,541 1.104,542 1.317,543 1.166,544 4.5,545 0.054,546 2.667,547 1.347,548 1.082,549 0.792,550 0.38,551 0.22,552 0.184,553 0.137,554 6810,555 20933,556 2.064,557 40,559 12,560 2,562 2,567 1.665,568 1.946,569 3.427,570 0.296,571 1,572 1,574 1,575 63.818,576 1.595,577 3.677,578 4.662,579 5.153,580 5.153,581 5.153,582 2.907,583 3.939,584 4.554,585 3.59,586 990.922,587 7.842,588 11990.3,589 1,590 1,591 1,592 1,593 212.877,594 1.347,595 4.522,596 0.173,597 0.004,598 0.076,599 0.042,600 0.036,601 0.028,602 0.014,603 0.01,604 0.01,605 0.009,606 0.403,607 0.33,608 1,609 0.757,610 115.829,611 -0.074,612 -0.078,613 0.033,614 -0.044,615 -0.06,616 0.013,617 -0.089,619 -0.013,620 0.013,621 -0.025,622 0.019,623 -0.027,624 -0.058,625 -0.099,626 -0.115,627 -0.001,628 -0.132,629 -0.197,630 -0.112,631 -0.16,632 -0.089,633 -0.238,634 -0.112,635 0.12,636 0.033,637 0.062,638 0.038,639 0.059,640 0.043,641 0.197,642 -0.095,643 0.142,644 -0.081,645 0.261,646 -0.005,647 -0.205,648 -0.046,649 -0.114,650 0.021,651 -0.215,652 -0.02,653 -0.219,654 -0.092,655 -0.287,656 -0.149,657 -0.224,658 -0.213,659 1.976,660 5.473,661 0.667,662 22.819,663 1.017,664 1.119,665 1.15,666 1.322,667 0.679,668 3.296,669 3.584,670 3.829,671 4.007,672 4.078,673 4.143,674 4.159,675 4.174,676 4.234,677 4.248,678 6.464,679 0.665,680 324.36,681 3.296,682 4.812,683 5.645,684 6.497,685 7.345,686 8.201,687 9.055,688 9.914,689 10.771,690 11.632,691 5,698 1,699 1,709 9,711 1,712 1,714 5,716 16,721 1,723 1,735 1,738 40,739 18,740 1,741 26,743 42,744 18,745 14,746 2,747 4,748 2,752 3,753 3,768 16,769 2,772 2,778 2,782 2,785 1,786 1,788 1,789 16,790 5,791 2,792 6,797 2,803 1,804 4,818 1,822 2,823 1,855 3,859 1,862 24,869 1,871 1,872 1,886 10,889 2,891 2,893 12.333,894 7.417,895 5.417,896 2.146,898 2.655,899 1.39,900 0.982,901 4.939,902 9.46,903 3.611,904 4.174,905 4.741,906 5.235,907 5.503,908 5.743,909 5.935,910 6.153,911 6.47,912 6.747,913 1,914 32,915 8.853,917 3.74,918 7.965,919 16.4,921 12.927,924 2.465,925 59.167,928 1,929 164.795,930 129.768,931 34.796,933 70.797,936 129.768,937 235.593,938 34.796,939 10.883,940 20.116,941 87.121,942 60.128,943 48.907,944 31.748,945 141.253,947 164.795,948 164.564,949 70.797,952 164.795,953 70.797,956 36.902,957 127.662,960 164.795,961 105.593,962 129.768,965 164.795,966 31.764,967 98.004,968 34.796,969 70.797,970 164.795,971 105.593,972 129.768,973 0.573,974 0.34,975 0.171,976 0.081,977 16,978 7,979 0.143,980 6,982 1,983 3.718,984 184.673,986 16,987 108.039,993 16.242,994 7.298,995 3.842,997 88.808,998 14.981,1000 2.82,1001 5.152,1003 2.477,1005 34.796,1006 400.156,1007 36,1013 24.57,1017 -0.494,1020 40.698,1021 44.741,1022 0.3,1023 0.691,1024 0.876,1025 0.968,1026 0.968,1027 0.968,1028 4.812,1029 1.117,1030 5.609,1031 2.743,1032 4.263,1033 4.86,1034 1.661,1035 6.372,1036 4.235,1037 6.006,1038 0.739,1039 7.143,1040 2.565,1041 3.761,1042 4.527,1044 7.177,1045 3.758,1046 7.296,1047 0.618,1048 8.775,1049 1.816,1050 5.814,1051 7.004,1052 1.594,1053 10.238,1054 5.774,1055 8.624,1056 0.561,1057 10.465,1058 1.422,1059 6.176,1060 7.548,1062 11.864,1063 6.165,1064 9.983,1065 0.424,1066 12.192,1067 1.372,1068 7.638,1069 9.403,1070 1.614,1071 14.42,1072 7.602,1073 11.364,1074 0.278,1075 13.944,1076 0.634,1077 8.376,1078 10.341,1080 16.381,1081 8.367,1082 12.76,1083 -0.686,1084 15.714,1085 0.615,1086 9.609,1087 11.938,1088 1.674,1089 18.765,1090 9.588,1091 3.045,1092 -0.844,1093 17.496,1094 -1.43,1095 10.525,1096 13.074,1098 20.883,1099 10.525,1100 2.761,1101 9.872,1102 19.289,1103 -2.23,1104 11.666,1105 14.552,1106 1.758,1107 23.2,1108 11.663,1109 2.535,1110 8.565,1111 21.09,1112 4.031,1113 12.668,1114 15.793,1116 25.396,1117 12.683,1118 2.402,1119 7.111,1120 22.898,1121 3.696,1122 13.773,1123 17.214,1124 1.859,1125 27.688,1126 13.792,1127 1.939,1128 6.951,1129 24.712,1130 3.479,1131 14.818,1132 18.512,1134 29.924,1135 14.852,1136 1.457,1137 5.651,1138 26.531,1139 3.126,1140 15.912,1141 19.908,1142 1.973,1143 32.207,1144 15.953,1145 1.259,1146 3.681,1147 28.354,1148 2.579,1149 16.981,1150 21.239,1152 34.464,1153 17.036,1154 6601,1155 11690,1156 17.394,1157 27.159,1158 38.878,1159 40.61,1160 39.175,1161 38.213,1162 38.271,1163 51.841,1164 4.827,1165 105.997,1166 37.668,1167 5.285,1168 5.616,1169 6.065,1170 5.096,1171 5.045,1172 7.031,1173 2.162,1174 16.769,1175 5.07,1176 10.618,1177 1.495,1178 1.562,1179 1.507,1180 1.47,1181 1.472,1182 1.994,1183 0.186,1184 4.077,1185 1.449,1186 4.034,1187 4.062,1188 3.992,1189 3.926,1190 7.431,1191 3.937,1192 3.9,1193 3.914,1194 3.843,1195 3.76,1196 7.425,1197 3.774,1198 3.846,1199 3.873,1200 3.79,1201 3.719,1202 5.075,1203 3.734,1204 3.396,1205 3.44,1206 3.335,1207 3.157,1208 4.858,1209 3.193,1210 3.26,1211 3.321,1212 3.119,1213 2.988,1214 4.757,1215 3.006,1216 3.093,1217 3.131,1218 2.965,1219 2.89,1220 4.353,1221 2.895,1222 2.84,1223 2.88,1224 2.711,1225 2.652,1226 3.989,1227 2.655,1228 2.762,1229 2.834,1230 2.567,1231 2.607,1232 3.621,1233 2.59,1234 0.169,1235 0.139,1236 0.247,1237 0.156,1238 0.117,1239 4.407,1240 0.155,1241 3.616,1242 0.042,1243 6.435,1244 0.38,1245 4.053,1246 0.118,1247 3.045,1248 4.031,1249 1.081,1250 9.872,1251 3.07,1252 1.909,1253 1.893,1254 2.003,1255 2,1256 1.092,1257 2,1258 1.648,1259 1.612,1260 1.787,1261 1.877,1262 0.943,1263 1.845,1264 1.525,1265 1.503,1266 1.646,1267 1.692,1268 0.748,1269 1.675,1270 1.481,1271 1.435,1272 1.628,1273 1.64,1274 0.633,1275 1.637,1276 1.351,1277 1.322,1278 1.562,1279 1.586,1280 0.572,1281 1.576,1282 1.193,1283 1.121,1284 1.534,1285 1.496,1286 0.564,1287 1.518,1288 0.937,1289 0.892,1290 1.148,1291 1.261,1292 0.199,1293 1.217,1294 0.858,1295 0.802,1296 1.106,1297 1.078,1298 0.123,1299 1.09,1300 3.97,1302 5.263,1303 3.045,1304 6.732,1305 5.209,1306 8.278,1307 7.14,1308 9.866,1310 1.543,1315 0.282,1317 2.716,1318 5.119,1326 26.59,1327 63.818,1328 147.087,1329 186.471,1330 206.122,1331 206.122,1332 206.122,1333 44.68,1334 6.806,1335 84.33,1336 84.33,1337 16,1338 12.183,1339 4.248,1340 3.459,1341 39.445,1342 93,1343 82,1344 0.208,1345 164.479,1346 283.58,1347 393.09,1348 7898,1350 16.941,1351 0.706,1352 0.543,1353 16.941,1354 13.036,1355 11.669,1356 0.449,1357 0.283,1358 7.211,1359 11.114,1360 7.051,1361 5.869,1362 11.669,1363 7.349,1364 10.098,1365 0.289,1366 0.146,1367 10.098,1368 5.125,1369 8.711,1370 0.194,1371 0.078,1372 8.711,1373 3.525,1374 6.646,1375 0.123,1376 0.042,1377 6.646,1378 2.263,1379 4.597,1380 0.079,1381 0.022,1382 4.597,1383 1.283,1384 0.33,1385 74.101,1386 0.24,1387 23.836,1388 0.555,1389 122,1390 425.608,1391 136.181,1392 400.315,1393 535.61,1394 374,1395 141,1396 381.844,1397 155.267,1398 384.769,1399 555.74,1400 360,1401 4.702}
{0 CHEMBL1510294,1 1.459,2 13,3 4.331,4 18.753,5 121.398,6 7.264,7 0.636,8 4.094,9 4.225,10 3.651,11 3.654,12 5.202,13 3.623,14 4.603,15 4.794,16 4.003,17 4.031,18 5.64,19 3.989,20 4.773,21 4.956,22 4.046,23 4.161,24 5.853,25 4.093,26 4.932,27 5.156,28 3.948,29 4.187,30 5.909,31 4.075,32 4.921,33 5.179,34 3.891,35 4.131,36 5.853,37 4.011,38 4.878,39 5.135,40 3.887,41 4.094,42 5.85,43 3.982,44 4.761,45 4.985,46 3.807,47 4,48 5.859,49 3.897,50 4.722,51 4.972,52 3.597,53 3.875,54 5.741,55 3.753,56 0.082,57 0.835,58 11.36,59 4.846,60 9.852,61 6.587,62 0.187,63 1.311,64 20.747,65 7.61,66 20.017,67 10.872,68 0.225,69 1.525,70 24.513,71 9.106,72 34.568,73 12.79,74 0.296,75 1.692,76 30.344,77 10.993,78 37.241,79 15.605,80 0.295,81 1.594,82 31.321,83 11.549,84 39.82,85 16.563,86 0.296,87 1.518,88 29.986,89 11.02,90 36.17,91 15.852,92 0.349,93 1.352,94 26.127,95 9.65,96 49.751,97 13.403,98 0.303,99 1.25,100 26.159,101 9.083,102 54.072,103 12.691,104 26,105 47,106 0.238,107 0.588,108 0.746,109 0.848,110 0.856,111 0.856,112 3.44,113 0.901,114 -4.65,115 -4.57,116 -4.3,120 43.6,121 3,125 1,126 1,143 8,144 5,147 1,152 1,153 2,156 1,159 1,167 1,170 1,174 12,177 10,180 1,182 1,185 14,188 1,189 9,194 3,197 10,200 2,201 8,206 2,209 9,214 5,217 2,219 2,222 15,226 1,227 2,230 1,232 1,235 17,239 3,240 5,245 1,247 15,252 6,257 1,260 8,264 8,269 2,271 4,274 1482,275 20.068,276 20.068,277 20.068,278 20.068,279 20.068,280 17.089,281 20.176,282 11.702,283 20.301,284 16.251,285 16.251,286 16.251,287 16.251,288 16.251,289 11.811,290 23.777,291 5.56,292 16.61,293 4.323,294 2.169,295 1.201,296 0.578,297 0.528,298 0.528,299 4.132,306 1,307 1,308 845,309 3.464,312 166.398,313 181.214,316 129.439,320 2.2,321 18.02,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 63.5,333 390,334 4.751,335 3.567,336 6.981,337 4.294,338 3.324,339 4.723,340 0.98,341 11.783,342 3.228,343 4.309,344 3.412,345 6.119,346 3.886,347 2.916,348 3.993,349 0.522,350 8.955,351 2.83,352 4.099,353 3.028,354 6.046,355 3.755,356 2.753,357 3.58,359 8.653,360 2.749,361 3.894,362 2.746,363 5.669,364 3.508,365 2.512,366 3.432,368 7.462,369 2.501,370 3.476,371 2.324,372 5.524,373 3.058,374 2.071,375 2.835,377 6.557,378 2.042,379 3.418,380 2.158,381 5.24,382 2.977,383 2.013,384 2.747,386 6.296,387 1.934,388 3.3,389 2.146,390 4.788,391 2.88,392 1.926,393 2.53,395 5.251,396 1.832,397 2.979,398 1.895,399 4.267,400 2.536,401 1.571,402 2.084,404 3.989,405 1.513,406 2.885,407 1.751,408 4.147,409 2.441,410 1.444,411 2.047,413 3.578,414 1.439,415 2.761,416 1.541,417 3.825,418 2.303,419 1.32,420 1.794,422 3.139,423 1.291,424 2.5,425 1.226,426 3.574,427 2,428 1,429 1.5,431 2.47,432 1,433 2.409,434 1.042,435 3.289,436 1.958,437 0.972,438 1.345,440 2.136,441 0.957,442 2.339,443 1,444 3.247,445 1.78,446 0.78,447 1.157,449 1.851,450 0.773,451 1.487,452 0.77,453 3.119,454 1.307,455 0.328,456 0.365,458 0.798,459 0.321,460 1.178,461 0.475,462 2.719,463 0.837,464 -0.144,465 -0.178,467 -0.359,468 -0.14,469 14.333,470 0.478,471 0.822,472 0.027,473 39.75,474 1.325,475 21,476 0.7,477 18.75,478 0.625,479 25.1,480 0.837,481 31.267,482 0.568,483 30.463,484 1.015,485 8.187,486 0.273,487 6.248,488 0.208,489 0.163,491 0.37,496 0.646,497 1.188,498 0.797,499 1.045,500 0.61,501 0.956,502 0.868,503 1.065,504 0.765,505 0.834,506 0.567,507 0.786,508 1.094,509 1.2,510 1.088,511 1.118,512 0.918,513 1.099,514 1.118,515 1.125,516 1.2,517 1.188,518 0.987,519 1.199,520 0.877,521 0.9,522 0.915,523 0.95,524 0.991,525 0.941,526 0.816,527 0.869,528 0.859,529 0.921,530 0.913,531 0.898,532 1.195,533 0.978,534 1.064,535 1.065,536 1.68,537 1.065,538 1.619,539 0.934,540 1.113,541 0.948,542 2.149,543 0.987,544 6,545 0.185,546 3.778,547 3.153,548 1.329,549 1.212,550 0.732,551 0.456,552 0.315,553 0.201,554 12833,555 30713,556 2.067,557 45.5,558 3,559 13,560 1,561 1,562 1,563 6,567 1.725,568 1.915,569 3.624,570 -0.382,572 1,575 80.23,576 1.459,577 3.613,578 4.581,579 5.204,580 5.254,581 5.254,582 3.111,583 4.148,584 4.874,585 3.829,586 1665.74,587 8.487,588 23728.5,590 1,593 317.975,594 1.475,595 4.828,596 0.182,597 0.008,598 0.08,599 0.067,600 0.033,601 0.031,602 0.019,603 0.013,604 0.011,605 0.008,606 0.452,607 0.17,608 1,609 0.594,610 156.152,611 0.148,612 -0.019,613 0.067,614 -0.029,615 -0.036,616 -0.002,617 0.053,618 0.039,619 0.165,620 0.147,621 0.094,622 0.168,623 -0.074,624 -0.104,625 -0.16,626 -0.138,627 0.01,628 -0.153,629 -0.095,630 -0.099,631 -0.237,632 -0.215,633 -0.043,634 -0.239,635 0.044,636 0.047,637 0.073,638 0.044,639 -0.011,640 0.058,641 0.12,642 0.078,643 0.13,644 0.074,645 0.092,646 0.102,647 0.084,648 -0.01,649 -0.075,650 -0.072,651 -0.017,652 -0.091,653 -0.218,654 -0.009,655 -0.089,656 0.032,657 -0.256,658 -0.011,659 1.9,660 5.61,661 0.667,662 35.147,663 0.994,664 1.125,665 3.419,666 11.689,667 0.674,668 3.526,669 3.871,670 4.159,671 4.419,672 4.595,673 4.644,674 4.812,675 4.934,676 4.956,677 4.963,678 7.545,679 0.638,680 399.54,681 3.526,682 5.081,683 5.943,684 6.83,685 7.71,686 8.604,687 9.494,688 10.392,689 11.289,690 12.191,691 9.1,698 1,699 2,700 1,701 1,708 2,709 9,710 1,714 6,715 2,716 21,738 55,739 23,740 2,741 33,743 58,744 24,745 17,746 4,747 8,748 2,752 4,753 5,755 1,759 3,768 19,769 5,772 2,778 1,780 1,781 1,782 1,786 1,789 25,790 4,791 1,792 6,797 5,803 0.75,804 1,814 1,818 1,822 2,823 2,826 1,855 3,859 4,862 30,869 1,871 1,886 1.8,889 1,893 15.667,894 11.3,895 6.528,896 3.187,898 4.235,899 1.547,900 1.001,901 5.56,902 11.975,903 3.839,904 4.5,905 5.127,906 5.742,907 6.219,908 6.528,909 6.993,910 7.405,911 7.64,912 7.903,913 0.889,914 47,915 11.048,917 4.614,918 7.633,919 21.267,921 17.242,924 2.133,925 64,928 1,929 282.506,930 158.56,931 54.89,933 25.145,936 158.56,937 307.651,938 54.89,939 34.872,940 19.994,941 84.857,942 67.331,943 38.411,944 16.672,945 258.964,947 282.506,948 213.45,949 25.145,952 282.506,953 25.145,956 69.565,957 118.175,958 25.71,960 282.506,961 80.035,962 158.56,965 282.506,966 29.783,967 132.452,968 17.888,969 58.471,970 282.506,971 80.035,972 158.56,973 0.589,974 0.35,975 0.186,976 0.097,977 23,978 11,979 0.086,980 5,981 1,982 1.1,983 4.183,984 264.759,985 0.1,986 20,987 143.207,993 20.118,994 8.29,995 4.105,996 2.211,997 76.359,998 18.064,999 4.262,1003 5.962,1004 4.017,1005 17.888,1006 521.101,1007 45.5,1013 12.61,1015 1.616,1016 4.09,1017 -0.234,1020 54.672,1021 61.853,1022 0.252,1023 0.625,1024 0.792,1025 0.9,1026 0.909,1027 0.909,1028 5.077,1029 1.571,1030 5.943,1031 5.251,1032 4.554,1033 5.187,1034 1.242,1035 6.777,1036 4.511,1037 6.317,1038 1.444,1039 7.521,1040 3.989,1041 4.205,1042 5.085,1044 7.714,1045 4.142,1046 7.644,1047 1.32,1048 9.2,1049 3.578,1050 6.172,1051 7.469,1052 1.096,1053 10.844,1054 6.084,1055 9.009,1056 1,1057 10.938,1058 3.139,1059 6.648,1060 8.22,1062 12.643,1063 6.537,1064 10.408,1065 0.972,1066 12.714,1067 2.47,1068 8.101,1069 10.076,1070 1.033,1071 15.304,1072 7.966,1073 11.832,1074 0.78,1075 14.516,1076 2.136,1077 8.956,1078 11.238,1080 17.48,1081 8.792,1082 13.276,1083 0.328,1084 16.34,1085 1.851,1086 10.218,1087 12.887,1088 0.997,1089 19.992,1090 10.028,1091 3.324,1092 -0.144,1093 18.179,1094 0.798,1095 11.248,1096 14.249,1098 22.332,1099 11.026,1100 2.916,1101 11.783,1102 20.033,1103 -0.359,1104 12.442,1105 15.819,1106 0.968,1107 24.801,1108 12.192,1109 2.753,1110 8.955,1111 21.897,1112 4.723,1113 13.551,1114 17.276,1116 27.212,1117 13.267,1118 2.512,1119 8.653,1120 23.772,1121 3.993,1122 14.726,1123 18.82,1124 0.942,1125 29.671,1126 14.413,1127 2.071,1128 7.462,1129 25.656,1130 3.58,1131 15.873,1132 20.322,1134 32.112,1135 15.526,1136 2.013,1137 6.557,1138 27.547,1139 3.432,1140 17.047,1141 21.861,1142 0.918,1143 34.572,1144 16.669,1145 1.926,1146 6.296,1147 29.445,1148 2.835,1149 18.212,1150 23.385,1152 37.026,1153 17.801,1154 12182,1155 19008,1156 21.789,1157 37.097,1158 50.607,1159 51.596,1160 51.912,1161 49.878,1162 49.858,1163 68.264,1164 3.003,1165 145.835,1166 48.823,1167 5.539,1168 5.567,1169 6.783,1170 5.332,1171 5.324,1172 7.723,1173 1.96,1174 19.029,1175 5.228,1176 16.127,1177 1.534,1178 1.564,1179 1.573,1180 1.511,1181 1.511,1182 2.069,1183 0.091,1184 4.419,1185 1.479,1186 4.172,1187 4.203,1188 4.138,1189 4.089,1190 7.429,1191 4.097,1192 3.961,1193 4.022,1194 3.917,1195 3.829,1196 4.979,1197 3.821,1198 3.881,1199 3.911,1200 3.809,1201 3.784,1202 4.899,1203 3.808,1204 3.628,1205 3.671,1206 3.578,1207 3.481,1208 4.728,1209 3.493,1210 3.35,1211 3.434,1212 3.252,1213 3.103,1214 4.599,1215 3.124,1216 3.234,1217 3.316,1218 3.078,1219 3.057,1220 4.245,1221 3.061,1222 3.202,1223 3.298,1224 3.006,1225 2.986,1226 3.905,1227 2.974,1228 3.061,1229 3.161,1230 2.888,1231 2.868,1232 3.89,1233 2.846,1234 0.144,1235 0.108,1236 0.212,1237 0.13,1238 0.101,1239 4.751,1240 0.143,1241 3.567,1242 0.03,1243 6.981,1244 0.357,1245 4.294,1246 0.098,1247 3.324,1248 4.723,1249 0.98,1250 11.783,1251 3.228,1252 1.971,1253 1.949,1254 2.065,1255 2.067,1256 1.231,1257 2.066,1258 1.903,1259 1.876,1260 2.013,1261 1.983,1262 1.161,1263 1.994,1264 1.666,1265 1.618,1266 1.844,1267 1.827,1268 0.97,1269 1.83,1270 1.652,1271 1.611,1272 1.801,1273 1.818,1274 0.911,1275 1.812,1276 1.493,1277 1.398,1278 1.733,1279 1.787,1280 0.765,1281 1.774,1282 1.341,1283 1.296,1284 1.564,1285 1.588,1286 0.668,1287 1.572,1288 1.152,1289 1.067,1290 1.476,1291 1.409,1292 0.58,1293 1.443,1294 1.091,1295 0.994,1296 1.437,1297 1.338,1298 0.454,1299 1.387,1300 4.205,1302 5.541,1303 3.045,1304 7.06,1305 5.533,1306 8.661,1307 7.695,1308 10.309,1310 7.984,1315 0.803,1317 2.616,1326 35.09,1327 80.23,1328 198.698,1329 251.936,1330 286.2,1331 288.955,1332 288.955,1333 44.887,1334 7.741,1335 64.21,1336 64.21,1337 22,1338 12.713,1339 4.585,1340 3.755,1341 47.276,1342 137,1343 131,1344 0.17,1345 217.179,1346 365.47,1347 521.678,1348 25876,1350 21.25,1351 0.708,1352 0.589,1353 21.25,1354 17.678,1355 14.436,1356 0.437,1357 0.3,1358 9.793,1359 13.96,1360 9.367,1361 7.878,1362 14.436,1363 9.908,1364 13.245,1365 0.282,1366 0.161,1367 13.245,1368 7.557,1369 11.379,1370 0.181,1371 0.087,1372 11.379,1373 5.506,1374 9.295,1375 0.113,1376 0.045,1377 9.295,1378 3.73,1379 7.188,1380 0.073,1381 0.025,1382 7.188,1383 2.463,1384 0.271,1385 89.787,1386 0.214,1387 28.743,1388 0.451,1389 160,1390 422.649,1391 171.873,1392 420.162,1393 587.38,1394 394,1395 190,1396 449.719,1397 203.4,1398 460.717,1399 665.63,1400 431,1401 4.17}
{0 CHEMBL1510661,1 1.587,2 11.793,3 3.628,4 13.163,5 104.37,6 8.631,7 0.656,8 3.938,9 4.019,10 3.621,11 3.511,12 5.196,13 3.53,14 4.41,15 4.509,16 3.972,17 3.869,18 5.712,19 3.876,20 4.613,21 4.759,22 3.997,23 3.911,24 5.938,25 3.901,26 4.623,27 4.767,28 3.983,29 3.832,30 6.02,31 3.848,32 4.606,33 4.762,34 3.866,35 3.745,36 6.039,37 3.758,38 4.497,39 4.644,40 3.84,41 3.701,42 5.953,43 3.715,44 4.467,45 4.614,46 3.812,47 3.703,48 5.858,49 3.7,50 4.397,51 4.547,52 3.675,53 3.638,54 5.742,55 3.628,56 0.12,57 0.596,58 6.442,59 3.857,60 9.985,61 3.958,62 0.373,63 0.929,64 11.951,65 6.321,66 30.037,67 6.591,68 0.601,69 1.121,70 18.022,71 7.904,72 60.951,73 8.836,74 0.591,75 1.123,76 18.503,77 7.536,78 58.275,79 7.827,80 0.736,81 1.046,82 20.418,83 7.635,84 99.666,85 7.643,86 0.659,87 0.926,88 17.942,89 7.118,90 88.528,91 7.402,92 0.667,93 0.908,94 17.055,95 7.004,96 61.947,97 7.62,98 0.462,99 0.857,100 15.721,101 6.53,102 61.509,103 6.715,104 10,105 44,106 0.267,107 0.599,108 0.763,109 0.887,110 0.917,111 0.917,112 3.408,113 0.828,114 -3.12,115 -3.11,116 -2.99,120 48.9,126 1,143 10,144 3,145 1,152 2,153 2,158 1,159 2,174 10,176 1,177 5,180 1,182 5,185 9,188 2,189 5,192 1,194 5,197 6,201 9,204 3,206 3,209 1,213 1,214 11,217 1,222 3,226 2,227 8,235 6,239 2,240 7,243 2,245 2,247 7,252 5,257 2,260 7,263 1,264 2,268 1,269 3,271 6,274 1389,275 19.828,276 19.828,277 19.828,278 19.828,279 19.828,280 17.023,281 12.848,282 11.807,283 19.975,284 15.781,285 15.781,286 15.781,287 15.781,288 15.781,289 11.488,290 15.64,291 5.562,292 15.962,293 3.905,294 1.933,295 0.96,296 0.222,297 0.044,298 0.044,299 4.102,305 1,306 1,307 1,308 749,309 3.873,312 149.077,313 187.142,316 126.176,320 1.746,321 40.121,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 64,333 342,334 4.578,335 3.739,336 6.68,337 4.131,338 3.136,339 4.511,340 1.797,341 10.752,342 3.122,343 4.359,344 3.611,345 6.464,346 4.003,347 3.015,348 3.956,349 1.338,350 10.006,351 2.97,352 4.127,353 3.548,354 6.017,355 3.761,356 2.754,357 3.678,358 1.058,359 8.536,360 2.767,361 3.769,362 2.895,363 5.624,364 3.389,365 2.383,366 3.143,368 7.25,369 2.391,370 3.451,371 2.633,372 5.082,373 3.047,374 2.071,375 2.695,377 5.867,378 2.004,379 3.199,380 2.195,381 4.494,382 2.725,383 1.722,384 2.426,386 4.289,387 1.719,388 3.047,389 1.783,390 4.267,391 2.529,392 1.548,393 2.32,395 4.001,396 1.521,397 2.978,398 1.7,399 4.007,400 2.501,401 1.505,402 2.139,404 3.472,405 1.488,406 2.852,407 1.545,408 3.821,409 2.388,410 1.39,411 1.99,413 3.111,414 1.384,415 2.593,416 1.538,417 3.59,418 2.124,419 1.152,420 1.611,422 2.761,423 1.111,424 2.519,425 1.311,426 3.544,427 1.994,428 1,429 1.484,431 2.449,432 0.987,433 2.275,434 1.115,435 3.209,436 1.776,437 0.768,438 1.112,440 1.821,441 0.77,442 2.118,443 1.038,444 3.096,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 1.981,452 0.618,453 3,454 1.503,455 0.543,456 0.752,458 1.262,459 0.518,460 1.677,461 0.586,462 2.786,463 1.22,464 0.229,465 0.309,467 0.51,468 0.222,469 13.467,470 0.464,471 0.627,472 0.022,473 41.75,474 1.44,475 23,476 0.793,477 18.75,478 0.647,479 18.718,480 0.645,481 29.733,482 0.661,483 33.398,484 1.152,485 8.805,486 0.304,487 5.326,488 0.184,489 0.074,491 0.334,496 0.738,497 1.085,498 0.656,499 0.95,500 0.558,501 0.809,502 0.802,503 1.137,504 0.833,505 1.046,506 0.619,507 0.972,508 0.839,509 1.13,510 0.922,511 1.059,512 0.898,513 1.024,514 1.217,515 1.141,516 1.054,517 1.111,518 1.322,519 1.051,520 1.479,521 0.876,522 1.144,523 0.939,524 1.486,525 0.942,526 1.269,527 0.888,528 0.962,529 0.914,530 1.202,531 0.869,532 1.034,533 0.886,534 0.94,535 0.929,536 1.14,537 0.924,538 1.357,539 1.03,540 1.111,541 1.001,542 1.543,543 1,544 4.5,545 0.116,546 3.778,547 1.972,548 1.379,549 0.722,550 0.569,551 0.403,552 0.256,553 0.169,554 11674,555 35967,556 2.111,557 35.6,559 12,560 2,562 2,567 1.719,568 2,569 3.535,570 0.228,572 1,575 71.416,576 1.587,577 3.559,578 4.531,579 5.27,580 5.447,581 5.447,582 2.945,583 4.582,584 4.833,585 3.705,586 1504.39,587 8.411,588 20841.5,590 1,592 1,593 247.133,594 1.314,595 4.8,596 0.141,597 0.005,598 0.086,599 0.046,600 0.034,601 0.02,602 0.016,603 0.012,604 0.008,605 0.006,606 0.373,607 0.33,608 1,609 0.506,610 148.588,611 -0.071,612 -0.03,613 0.027,614 -0.01,615 -0.062,616 0.031,617 0.038,618 -0.118,619 -0.053,620 -0.096,621 0.004,622 -0.102,623 0.098,624 -0.133,625 0.006,626 -0.095,627 0.028,628 -0.078,629 -0.081,630 -0.12,631 -0.088,632 -0.173,633 -0.089,634 -0.143,635 -0.162,636 0.091,637 -0.092,638 0.026,639 -0.072,640 0.002,641 -0.02,642 0.048,643 0.064,644 0.071,645 0.069,646 0.089,647 0.122,648 0.054,649 0.063,650 0.059,651 0.007,652 0.042,653 -0.234,654 -0.088,655 -0.12,656 -0.016,657 -0.217,658 -0.036,659 2.381,660 5.514,661 0.69,662 26.721,663 1.023,664 1.11,665 1.887,666 3.559,667 0.703,668 3.497,669 3.807,670 4.094,671 4.331,672 4.431,673 4.443,674 4.489,675 4.554,676 4.522,677 4.575,678 7.059,679 0.696,680 388.4,681 3.497,682 5.03,683 5.883,684 6.753,685 7.62,686 8.494,687 9.365,688 10.24,689 11.113,690 11.989,691 4.4,698 1,699 1,708 2,709 12,711 1,712 1,714 4,716 21,721 1,723 1,726 1,738 45,739 24,740 2,741 32,743 48,744 22,745 18,746 4,747 8,748 3,752 4,753 5,768 21,769 1,772 3,778 3,782 3,786 1,788 1,789 16,790 6,791 2,792 7,797 2,803 0.75,804 5,818 1,822 2,823 2,826 1,855 3,862 29,869 1,871 1,872 1,886 11.1,889 3,891 2,893 14.5,894 8.083,895 6.417,896 2.507,898 3.87,899 1.517,900 1.011,901 5.382,902 11.352,903 3.839,904 4.443,905 5.058,906 5.629,907 6.005,908 6.222,909 6.49,910 6.794,911 6.734,912 7.011,913 0.875,914 43,915 10.758,917 4.701,918 8.034,919 19.741,921 15.956,924 2.534,925 73.5,928 1,929 164.795,930 156.465,931 34.796,933 95.942,936 156.465,937 260.737,938 34.796,940 22.603,941 115.549,942 92.464,943 48.994,944 31.135,945 141.253,947 164.795,948 191.261,949 95.942,952 164.795,953 95.942,956 39.389,957 151.873,960 164.795,961 130.738,962 156.465,965 164.795,966 40.916,967 115.549,968 34.796,969 95.942,970 164.795,971 130.738,972 156.465,973 0.578,974 0.348,975 0.19,976 0.092,977 21,978 9,979 0.146,980 7,981 1,982 1.1,983 4.137,984 250.839,985 0.1,986 20,987 138.881,993 18.875,994 8.269,995 4.039,996 1.591,997 113.953,998 19.834,1000 3.015,1001 5.047,1003 0.966,1005 34.796,1006 451.999,1007 45.5,1013 37.19,1017 -1.536,1020 46.025,1021 49.95,1022 0.289,1023 0.648,1024 0.825,1025 0.96,1026 0.992,1027 0.992,1028 5.051,1029 1.505,1030 5.855,1031 4.001,1032 4.489,1033 5.13,1034 2.586,1035 6.661,1036 4.468,1037 6.261,1038 1.39,1039 7.412,1040 3.472,1041 4.007,1042 4.879,1044 7.573,1045 4.012,1046 7.566,1047 1.152,1048 9.074,1049 3.111,1050 6.071,1051 7.352,1052 3.427,1053 10.686,1054 6.034,1055 8.912,1056 1,1057 10.801,1058 2.761,1059 6.479,1060 8.015,1062 12.464,1063 6.463,1064 10.294,1065 0.768,1066 12.569,1067 2.449,1068 7.961,1069 9.894,1070 4.415,1071 15.071,1072 7.914,1073 11.701,1074 0.618,1075 14.365,1076 1.821,1077 8.762,1078 10.984,1080 17.18,1081 8.726,1082 13.127,1083 0.543,1084 16.181,1085 1.372,1086 10.02,1087 12.626,1088 5.491,1089 19.62,1090 9.964,1091 3.136,1092 0.229,1093 18.011,1094 1.262,1095 10.997,1096 13.92,1098 21.865,1099 10.943,1100 3.015,1101 10.752,1102 19.85,1103 0.51,1104 12.166,1105 15.466,1106 6.613,1107 24.246,1108 12.099,1109 2.754,1110 10.006,1111 21.698,1112 4.511,1113 13.221,1114 16.859,1116 26.549,1117 13.151,1118 2.383,1119 8.536,1120 23.551,1121 3.956,1122 14.358,1123 18.366,1124 7.759,1125 28.911,1126 14.276,1127 2.071,1128 7.25,1129 25.409,1130 3.678,1131 15.448,1132 19.808,1134 31.241,1135 15.361,1136 1.722,1137 5.867,1138 27.271,1139 3.143,1140 16.573,1141 21.302,1142 8.918,1143 33.597,1144 16.477,1145 1.548,1146 4.289,1147 29.137,1148 2.695,1149 17.68,1150 22.769,1152 35.942,1153 17.578,1154 10942,1155 19367,1156 21.671,1157 31.614,1158 48.393,1159 50.358,1160 48.863,1161 47.606,1162 47.665,1163 66.11,1164 8.387,1165 134.918,1166 47.181,1167 5.495,1168 5.739,1169 6.361,1170 5.202,1171 5.136,1172 7.511,1173 3.595,1174 17.807,1175 5.122,1176 11.751,1177 1.512,1178 1.574,1179 1.527,1180 1.488,1181 1.49,1182 2.066,1183 0.262,1184 4.216,1185 1.474,1186 4.129,1187 4.159,1188 4.09,1189 4.043,1190 7.437,1191 4.051,1192 3.97,1193 3.988,1194 3.928,1195 3.868,1196 7.428,1197 3.875,1198 3.86,1199 3.867,1200 3.811,1201 3.718,1202 7.423,1203 3.739,1204 3.56,1205 3.576,1206 3.489,1207 3.403,1208 5.052,1209 3.416,1210 3.349,1211 3.393,1212 3.265,1213 3.129,1214 4.955,1215 3.158,1216 3.258,1217 3.299,1218 3.191,1219 3.012,1220 4.727,1221 3.049,1222 3.142,1223 3.151,1224 3.08,1225 2.929,1226 4.356,1227 2.957,1228 2.886,1229 2.945,1230 2.753,1231 2.764,1232 4.284,1233 2.753,1234 0.143,1235 0.117,1236 0.209,1237 0.129,1238 0.098,1239 4.578,1240 0.141,1241 3.739,1242 0.056,1243 6.68,1244 0.336,1245 4.131,1246 0.098,1247 3.136,1248 4.511,1249 1.797,1250 10.752,1251 3.122,1252 1.937,1253 1.916,1254 2.029,1255 2.022,1256 1.155,1257 2.023,1258 1.906,1259 1.885,1260 2.003,1261 2.008,1262 1.092,1263 2.006,1264 1.605,1265 1.576,1266 1.731,1267 1.808,1268 0.834,1269 1.784,1270 1.533,1271 1.512,1272 1.672,1273 1.706,1274 0.721,1275 1.672,1276 1.35,1277 1.336,1278 1.475,1279 1.586,1280 0.544,1281 1.573,1282 1.262,1283 1.224,1284 1.47,1285 1.546,1286 0.395,1287 1.522,1288 1.065,1289 1.037,1290 1.208,1291 1.293,1292 0.283,1293 1.258,1294 0.942,1295 0.891,1296 1.166,1297 1.22,1298 0.227,1299 1.195,1300 4.174,1302 5.485,1303 3.045,1304 6.984,1305 5.283,1306 8.569,1307 7.298,1308 10.2,1315 -0.416,1317 2.61,1318 5.198,1326 31.304,1327 71.416,1328 160.14,1329 203.914,1330 237.133,1331 245.133,1332 245.133,1333 59.153,1334 7.482,1335 101.4,1336 101.4,1337 22,1338 12.528,1339 4.644,1340 3.858,1341 44.78,1342 123,1343 108,1344 0.173,1345 190.669,1346 330.39,1347 456.993,1348 20499,1350 20.217,1351 0.697,1352 0.523,1353 20.217,1354 15.177,1355 14.131,1356 0.442,1357 0.276,1358 8.696,1359 13.546,1360 8.563,1361 7.078,1362 14.131,1363 8.836,1364 12.447,1365 0.283,1366 0.141,1367 12.447,1368 6.224,1369 10.775,1370 0.183,1371 0.074,1372 10.775,1373 4.364,1374 8.914,1375 0.119,1376 0.039,1377 8.914,1378 2.951,1379 6.502,1380 0.078,1381 0.021,1382 6.502,1383 1.758,1384 0.275,1385 89.197,1386 0.215,1387 27.79,1388 0.464,1389 152,1390 531.343,1391 169.503,1392 501.958,1393 674.06,1394 468,1395 179,1396 484.953,1397 196.728,1398 486.624,1399 712.67,1400 458,1401 4.257}
{0 CHEMBL1510852,1 1.82,2 12.938,3 5.05,4 25.507,5 130.006,6 8.611,7 0.457,8 4.129,9 4.227,10 3.94,11 3.679,12 5.242,13 3.649,14 4.673,15 4.825,16 4.289,17 4.066,18 5.936,19 4.028,20 4.884,21 5.042,22 4.371,23 4.242,24 6.089,25 4.164,26 5.009,27 5.197,28 4.292,29 4.217,30 6.244,31 4.124,32 4.9,33 5.101,34 4.247,35 4.086,36 6.173,37 4.002,38 4.723,39 4.915,40 4.261,41 4.002,42 5.991,43 3.924,44 4.684,45 4.859,46 4.147,47 3.991,48 6.048,49 3.901,50 4.709,51 4.884,52 4.093,53 3.977,54 5.906,55 3.891,56 0.171,57 0.87,58 12.052,59 5.246,60 22.783,61 5.779,62 0.593,63 1.389,64 22.185,65 8.307,66 58.228,67 9.81,68 0.567,69 1.69,70 34.017,71 12.16,72 52.973,73 13.222,74 0.811,75 1.736,76 39.731,77 13.35,78 113.493,79 14.538,80 0.864,81 1.557,82 35.479,83 11.246,84 112.089,85 12.855,86 0.676,87 1.437,88 29.643,89 9.335,90 68.121,91 10.891,92 0.696,93 1.339,94 29.919,95 10.107,96 94.567,97 11.154,98 0.595,99 1.392,100 33.584,101 9.615,102 75.942,103 9.554,104 37,105 51,106 0.297,107 0.645,108 0.78,109 0.826,110 0.826,111 0.826,112 3.502,113 1.012,114 -3.11,115 -3.1,116 -2.98,120 38.2,121 1,125 1,126 4,143 7,144 2,145 3,153 1,154 1,160 1,167 1,174 7,176 3,177 3,180 2,182 2,185 8,188 2,189 10,192 2,194 3,197 6,200 1,201 10,204 1,206 3,213 2,214 6,219 3,226 6,227 6,230 1,231 1,232 1,239 3,240 4,243 3,245 1,247 2,252 3,257 3,260 4,263 2,264 2,267 3,269 2,271 5,274 1884,275 21.117,276 21.117,277 21.117,278 21.117,279 21.117,280 18.586,281 25.381,282 12.181,283 21.833,284 17.211,285 17.211,286 17.211,287 17.211,288 17.211,289 13.237,290 26.862,291 5.761,292 18.381,293 3.962,294 1.829,295 1.003,296 0.718,297 0.718,298 0.718,299 4.191,307 1,308 891,309 4.062,312 77.659,313 314.044,316 139.705,320 1.941,321 45.155,324 1,325 0.67,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.83,332 70.5,333 414,334 4.949,335 4.727,336 7.669,337 4.452,338 3.526,339 4.843,340 1.737,341 13.632,342 3.253,343 4.713,344 3.782,345 6.969,346 4.233,347 3.282,348 4.612,349 0.86,350 11.726,351 3.11,352 4.05,353 3.399,354 5.686,355 3.638,356 2.677,357 3.631,358 0.4,359 7.496,360 2.589,361 3.753,362 2.705,363 5.627,364 3.281,365 2.343,366 3.136,367 0.142,368 7.147,369 2.193,370 3.621,371 2.704,372 5.514,373 3.219,374 2.282,375 3.002,377 6.955,378 2.131,379 3.483,380 2.303,381 5.423,382 3.064,383 2.112,384 2.819,386 6.066,387 2.004,388 3.288,389 2.265,390 5.022,391 2.919,392 1.997,393 2.538,395 6.038,396 1.828,397 3.202,398 2.23,399 4.696,400 2.812,401 1.876,402 2.34,404 5.145,405 1.73,406 2.928,407 2.041,408 4.344,409 2.479,410 1.537,411 1.996,413 4.074,414 1.442,415 2.591,416 1.388,417 3.813,418 2.042,419 1.109,420 1.515,422 2.708,423 1.03,424 2.5,425 1.28,426 3.563,427 2,428 1.033,429 1.5,431 2.618,432 1,433 2.253,434 1.256,435 3.414,436 1.958,437 1,438 1.203,440 2.275,441 0.946,442 2.191,443 1,444 3.338,445 1.952,446 1,447 1,449 2.136,450 0.943,451 2,452 0.975,453 3.247,454 1.605,455 0.665,456 0.927,458 1.586,459 0.62,460 1.404,461 0.757,462 2.937,463 1.073,464 0.139,465 0.161,467 0.327,468 0.129,469 15.5,470 0.484,471 0.989,472 0.031,473 42.5,474 1.328,475 21.5,476 0.672,477 21,478 0.656,479 26.825,480 0.838,481 34.9,482 0.635,483 36.363,484 1.136,485 8.372,486 0.262,487 6.897,488 0.216,489 0.183,490 0.054,491 0.31,496 0.711,497 1.344,498 0.715,499 1.11,500 0.74,501 0.931,502 0.851,503 1.032,504 0.7,505 0.781,506 0.581,507 0.784,508 0.972,509 1.164,510 1.179,511 1.206,512 0.828,513 1.057,514 1.336,515 1.077,516 1.12,517 1.058,518 1.67,519 1.056,520 1.222,521 1.035,522 0.926,523 0.87,524 1.541,525 0.873,526 0.717,527 1.004,528 0.918,529 1.017,530 0.826,531 0.914,532 0.784,533 1.076,534 1.145,535 1.108,536 0.63,537 0.96,538 1.497,539 1.13,540 1.363,541 1.125,542 1.506,543 1.062,544 7.5,545 0.24,546 4.889,547 3.486,548 1.684,549 1.281,550 1.088,551 0.584,552 0.462,553 0.284,554 14218,555 43001,556 2.037,557 41.8,558 3,559 18,562 2,567 1.746,568 1.873,569 3.619,570 0.301,575 100.085,576 1.82,577 3.952,578 4.778,579 5.063,580 5.063,581 5.063,582 3.091,583 4.414,584 4.968,585 3.786,586 1878.1,587 8.697,588 27395.9,593 317.975,594 1.646,595 4.907,596 0.214,597 0.009,598 0.096,599 0.065,600 0.036,601 0.029,602 0.025,603 0.014,604 0.012,605 0.008,606 0.508,607 0.33,608 0.75,609 0.609,610 168.339,611 0.036,612 -0.175,613 0.143,614 -0.093,615 -0.14,616 -0.003,617 0.12,618 0.055,619 0.132,620 0.128,621 0.187,622 0.124,623 -0.037,624 -0.076,625 -0.122,626 -0.129,627 0.04,628 -0.093,629 -0.186,630 -0.098,631 -0.115,632 -0.066,633 -0.195,634 -0.096,635 -0.046,636 -0.068,637 0.073,638 0.093,639 -0.136,640 0.084,641 0.222,642 0.092,643 0.139,644 -0.001,645 0.076,646 0.032,647 0.221,648 -0.017,649 -0.027,650 -0.017,651 0.335,652 0.016,653 -0.367,654 -0.023,655 -0.257,656 -0.075,657 -0.31,658 -0.143,659 4.614,660 6.043,661 0.656,662 34.313,663 1.017,664 1.126,665 1.876,666 3.518,667 0.691,668 3.584,669 3.951,670 4.234,671 4.466,672 4.691,673 4.762,674 4.942,675 5.024,676 5.043,677 5.1,678 7.364,679 0.656,680 473.63,681 3.584,682 5.153,683 6.019,684 6.915,685 7.802,686 8.705,687 9.602,688 10.51,689 11.415,690 12.327,691 9.1,694 1,698 1,699 1,704 2,708 2,709 7,714 5,715 1,716 16,734 1,738 55,739 20,740 2,741 35,743 58,744 21,745 14,746 5,747 7,748 1,752 4,753 5,759 1,768 15,769 6,772 4,776 1,778 2,779 1,781 2,782 1,789 23,790 8,791 2,792 11,793 2,797 5,802 1,803 0.75,804 4,818 1,822 1,823 3,826 1,854 1,855 3,857 2,859 2,862 32,866 1,868 1,869 4,871 1,872 1,875 1,886 7.3,888 1,889 2,890 1,893 17.083,894 10.417,895 6.889,896 3.091,898 3.64,899 1.464,900 0.975,901 6.602,902 11.479,903 3.871,904 4.53,905 5.113,906 5.685,907 6.247,908 6.631,909 7.113,910 7.468,911 7.644,912 7.884,913 0.889,914 54,915 12.111,917 5.485,918 7.935,919 22.293,921 18.451,924 2.435,925 77.917,929 247.193,930 163.202,931 54.754,933 97.996,935 50.999,936 112.203,937 345.189,938 54.754,939 17.222,940 31.407,941 72.141,942 97.996,943 16.24,944 35.755,945 247.193,946 45.192,947 247.193,948 166.957,949 97.996,950 50.999,952 247.193,953 86.996,954 11,956 43.65,957 89.982,958 39.133,959 45.192,960 247.193,961 152.751,962 163.202,964 5.807,965 247.193,966 28.648,967 86.973,968 18.011,969 176.514,970 247.193,971 152.751,972 163.202,973 0.596,974 0.352,975 0.179,976 0.098,977 25,978 12,979 0.086,980 5,981 1,982 1.095,983 4.224,984 295.534,985 0.095,986 21,987 150,990 1,992 1,993 22.829,994 9.254,995 4.727,996 1.08,997 150.852,998 12.292,1003 2.013,1004 1.519,1005 60.694,1006 563.146,1007 47,1011 -3.697,1013 26.087,1014 5.237,1016 8.14,1017 0.113,1020 55.923,1021 61.906,1022 0.315,1023 0.684,1024 0.827,1025 0.876,1026 0.876,1027 0.876,1028 5.136,1029 1.876,1030 6.052,1031 6.038,1032 4.635,1033 5.218,1034 2.069,1035 6.938,1036 4.513,1037 6.392,1038 1.537,1039 7.673,1040 5.145,1041 4.443,1042 5.359,1043 1.305,1044 8.191,1045 4.233,1046 7.756,1047 1.109,1048 9.411,1049 4.074,1050 6.34,1051 7.581,1052 2.677,1053 11.294,1054 6.095,1055 9.166,1056 1.033,1057 11.223,1058 2.708,1059 6.976,1060 8.555,1061 2.523,1062 13.42,1063 6.635,1064 10.615,1065 1,1066 13.086,1067 2.618,1068 8.413,1069 10.329,1070 3.556,1071 16.142,1072 8.03,1073 12.093,1074 1,1075 14.985,1076 2.275,1077 9.405,1078 11.65,1079 3.713,1080 18.577,1081 8.929,1082 13.594,1083 0.665,1084 16.912,1085 2.136,1086 10.695,1087 13.278,1088 4.55,1089 21.2,1090 10.162,1091 3.526,1092 0.139,1093 18.861,1094 1.586,1095 11.834,1096 14.741,1097 4.876,1098 23.738,1099 11.214,1100 3.282,1101 13.632,1102 20.826,1103 0.327,1104 13.081,1105 16.321,1106 5.597,1107 26.336,1108 12.394,1109 2.677,1110 11.726,1111 22.805,1112 4.843,1113 14.28,1114 17.841,1115 6.017,1116 28.91,1117 13.509,1118 2.343,1119 7.496,1120 24.793,1121 4.612,1122 15.517,1123 19.407,1124 6.669,1125 31.505,1126 14.673,1127 2.282,1128 7.147,1129 26.789,1130 3.631,1131 16.74,1132 20.95,1133 7.143,1134 34.093,1135 15.815,1136 2.112,1137 6.955,1138 28.792,1139 3.136,1140 17.977,1141 22.512,1142 7.755,1143 36.69,1144 16.976,1145 1.997,1146 6.066,1147 30.8,1148 3.002,1149 19.211,1150 24.066,1151 8.261,1152 39.286,1153 18.13,1154 13603,1155 23880,1156 22.77,1157 37.994,1158 53.567,1159 55.722,1160 55.098,1161 53.253,1162 53.154,1163 70.45,1164 6.279,1165 159.857,1166 49.897,1167 5.949,1168 6.727,1169 7.471,1170 5.556,1171 5.526,1172 7.843,1173 3.075,1174 21.656,1175 5.253,1176 18.098,1177 1.53,1178 1.592,1179 1.574,1180 1.522,1181 1.519,1182 2.013,1183 0.179,1184 4.567,1185 1.426,1186 4.192,1187 4.203,1188 4.744,1189 4.142,1190 7.715,1191 4.104,1192 3.935,1193 3.959,1194 4.079,1195 3.862,1196 6.999,1197 3.854,1198 3.925,1199 3.935,1200 3.942,1201 3.825,1202 6.471,1203 3.765,1204 3.602,1205 3.623,1206 3.763,1207 3.421,1208 5.091,1209 3.416,1210 3.459,1211 3.514,1212 3.527,1213 3.362,1214 4.808,1215 3.3,1216 3.264,1217 3.287,1218 3.253,1219 3.101,1220 4.718,1221 3.076,1222 3.175,1223 3.259,1224 3.037,1225 2.995,1226 4.608,1227 2.977,1228 3.111,1229 3.206,1230 3,1231 2.941,1232 4.366,1233 2.91,1234 0.141,1235 0.135,1236 0.219,1237 0.127,1238 0.101,1239 4.949,1240 0.138,1241 4.727,1242 0.05,1243 7.669,1244 0.389,1245 4.452,1246 0.093,1247 3.526,1248 4.843,1249 1.737,1250 13.632,1251 3.253,1252 1.999,1253 2.005,1254 2.036,1255 2.078,1256 1.296,1257 2.104,1258 1.914,1259 1.884,1260 2.007,1261 2.006,1262 1.146,1263 2.018,1264 1.721,1265 1.689,1266 1.892,1267 1.934,1268 1.131,1269 1.931,1270 1.571,1271 1.523,1272 1.717,1273 1.81,1274 0.825,1275 1.783,1276 1.384,1277 1.383,1278 1.555,1279 1.588,1280 0.823,1281 1.596,1282 1.297,1283 1.272,1284 1.513,1285 1.478,1286 0.625,1287 1.506,1288 1.153,1289 1.064,1290 1.371,1291 1.376,1292 0.582,1293 1.429,1294 1.106,1295 1.045,1296 1.181,1297 1.341,1298 0.385,1299 1.368,1300 4.263,1302 5.617,1303 2.398,1304 7.166,1305 4.949,1306 8.8,1307 7.195,1308 10.48,1310 3.647,1314 10.566,1315 1.314,1317 2.961,1318 5.254,1321 1.391,1326 36.082,1327 100.085,1328 217.369,1329 262.814,1330 278.465,1331 278.465,1332 278.465,1333 74.338,1334 7.839,1335 108.52,1336 148.99,1337 23,1338 12.843,1339 4.392,1340 3.7,1341 51.882,1342 138,1343 166,1344 0.179,1345 228.508,1346 393.14,1347 549.319,1348 28782,1350 22.88,1351 0.715,1352 0.603,1353 23.63,1354 19.28,1355 15.269,1356 0.436,1357 0.337,1358 9.936,1359 13.53,1360 9.517,1361 7.865,1362 16.346,1363 11.807,1364 14.42,1365 0.283,1366 0.191,1367 16.147,1368 9.747,1369 12.259,1370 0.18,1371 0.108,1372 13.848,1373 7.344,1374 9.605,1375 0.112,1376 0.059,1377 10.943,1378 5.06,1379 7.78,1380 0.072,1381 0.032,1382 8.973,1383 3.486,1384 0.283,1385 107.455,1386 0.21,1387 29.983,1388 0.487,1389 172,1390 555.99,1391 245.592,1392 574.885,1393 773.01,1394 530,1395 205,1396 526.956,1397 282.085,1398 577.071,1399 844.9,1400 539,1401 5.204}
{0 CHEMBL1510957,1 1.582,2 10.727,3 2.832,4 8.017,5 80.354,6 8.144,7 0.522,8 3.723,9 3.801,10 3.333,11 3.216,12 5.06,13 3.234,14 4.151,15 4.269,16 3.608,17 3.533,18 5.483,19 3.537,20 4.323,21 4.448,22 3.689,23 3.641,24 5.588,25 3.625,26 4.442,27 4.615,28 3.575,29 3.561,30 5.668,31 3.535,32 4.392,33 4.589,34 3.397,35 3.461,36 5.531,37 3.415,38 4.189,39 4.379,40 3.343,41 3.408,42 5.325,43 3.337,44 4.241,45 4.45,46 3.278,47 3.335,48 5.491,49 3.265,50 4.044,51 4.254,52 3.011,53 3.202,54 5.116,55 3.116,56 0.176,57 0.469,58 6.557,59 3.486,60 18.117,61 3.735,62 0.381,63 0.692,64 11.718,65 5.226,66 42.422,67 5.805,68 0.382,69 0.813,70 13.743,71 6.379,72 25.954,73 7.314,74 0.498,75 0.862,76 18.107,77 6.691,78 44.275,79 7.918,80 0.645,81 0.786,82 19.106,83 6.287,84 66.138,85 7.524,86 0.377,87 0.696,88 13.806,89 5.702,90 35.63,91 7.378,92 0.667,93 0.695,94 16.405,95 5.466,96 63.474,97 7.09,98 0.351,99 0.589,100 12.879,101 4.668,102 36.842,103 5.917,104 27,105 30,106 0.286,107 0.634,108 0.771,109 0.857,110 0.871,111 0.871,112 3.145,113 0.84,114 -3.58,115 -3.56,116 -3.39,120 43.2,125 1,126 1,143 7,144 3,145 2,156 1,159 1,168 1,170 1,172 1,174 9,175 1,177 5,180 1,182 1,185 8,186 2,188 1,189 10,194 3,197 4,198 2,201 7,206 4,209 1,210 1,213 1,214 3,219 2,222 4,226 1,227 2,228 1,230 1,235 7,239 1,240 2,243 2,247 7,252 2,260 4,261 1,264 3,265 1,269 2,271 1,272 2,274 652,275 14.878,276 14.878,277 14.878,278 14.878,279 14.878,280 12.941,281 15.409,282 8.943,283 15.232,284 11.231,285 11.231,286 11.231,287 11.231,288 11.231,289 8.438,290 15.43,291 4.053,292 11.66,293 3.627,294 1.71,295 0.95,296 0.473,297 0.399,298 0.399,299 3.808,305 1,306 1,307 1,308 481,309 3.24,313 159.817,320 1.636,321 26.089,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49.5,333 236,334 4.278,335 3.624,336 6.174,337 3.863,338 2.911,339 3.928,340 1.697,341 9.175,342 2.786,343 4.162,344 3.576,345 5.929,346 3.779,347 2.779,348 3.754,349 1.437,350 8.226,351 2.756,352 3.711,353 3.223,354 5.311,355 3.364,356 2.379,357 3.051,358 1.151,359 6.838,360 2.337,361 3.615,362 2.78,363 5.236,364 3.214,365 2.24,366 2.956,367 0.86,368 6.589,369 2.168,370 2.929,371 2.32,372 4.389,373 2.531,374 1.617,375 2.064,377 4.232,378 1.469,379 2.786,380 2.166,381 3.795,382 2.285,383 1.287,384 1.794,386 2.994,387 1.265,388 2.706,389 1.909,390 3.414,391 2.073,392 1.119,393 1.612,395 2.275,396 1.063,397 2.5,398 1.184,399 3.312,400 2,401 1,402 1.5,404 2.081,405 1,406 1.996,407 1,408 3.118,409 1.663,410 0.743,411 0.898,413 1.564,414 0.675,415 1.6,416 0.938,417 2.818,418 1.313,419 0.438,420 0.493,422 0.715,423 0.379,424 1.163,425 0.797,426 2.347,427 0.895,428 -0.068,429 -0.079,431 -0.128,432 -0.065,433 0.861,434 0.462,435 2.244,436 0.533,437 -0.444,438 -0.535,440 -0.876,441 -0.43,442 0.601,443 0.17,444 2,445 0.224,446 -0.714,447 -0.867,449 -1.417,450 -0.656,451 0.509,452 -0.282,453 1.906,454 0.082,455 -0.894,456 -1.202,458 -2,459 -0.859,460 0.5,461 -0.582,462 1.768,464 -1,465 -1.362,467 -2.265,468 -0.97,469 10.067,470 0.458,471 0.451,472 0.021,473 29.5,474 1.341,475 16,476 0.727,477 13.5,478 0.614,479 13.626,480 0.619,481 24.133,482 0.652,483 21.885,484 0.995,485 6.548,486 0.298,487 4.087,488 0.186,489 0.149,491 0.298,496 0.834,497 1.045,498 0.748,499 1.019,500 0.802,501 0.896,502 0.923,503 0.901,504 0.855,505 0.904,506 0.517,507 0.864,508 0.833,509 1.268,510 0.956,511 1.274,512 0.695,513 1.182,514 1.142,515 1.18,516 1.098,517 1.182,518 0.927,519 1.138,520 1.27,521 0.798,522 1.134,523 0.822,524 1.035,525 0.918,526 0.523,527 1.117,528 0.874,529 1.173,530 0.493,531 1.145,532 0.743,533 0.779,534 0.972,535 0.818,536 0.758,537 0.928,538 0.923,539 0.93,540 1.099,541 0.967,542 0.835,543 1.059,544 4.5,545 0.099,546 2.444,547 0.938,548 1.036,549 0.792,550 0.283,551 0.189,552 0.213,553 0.136,554 4935,555 18669,556 1.969,557 40.5,559 12,561 1,562 2,567 1.64,568 1.833,569 3.389,570 0.348,571 1,572 1,574 1,575 58.537,576 1.582,577 3.5,578 4.259,579 4.736,580 4.811,581 4.811,582 2.863,583 3.754,584 4.427,585 3.536,586 816.89,587 7.584,588 9313.26,589 1,590 1,591 1,592 1,593 192.75,594 1.435,595 4.382,596 0.196,597 0.008,598 0.081,599 0.03,600 0.04,601 0.036,602 0.013,603 0.01,604 0.014,605 0.01,606 0.438,607 0.33,608 1,609 1.245,610 103.253,611 -0.036,612 0.062,613 0.003,614 0.041,615 -0.09,616 0.03,617 -0.046,618 0.153,619 -0.014,620 0.124,621 0.111,622 0.082,623 0.001,624 -0.248,625 -0.111,626 -0.244,627 -0.012,628 -0.219,629 -0.164,630 -0.214,631 -0.132,632 -0.212,633 -0.082,634 -0.171,635 -0.202,636 0.132,637 -0.101,638 0.134,639 -0.158,640 0.062,641 0.176,642 -0.145,643 0.048,644 -0.158,645 0.088,646 -0.112,647 0.186,648 0.172,649 0.049,650 0.143,651 0.082,652 0.078,653 -0.129,654 0.034,655 -0.126,656 0.016,657 -0.126,658 -0.038,659 2.629,660 3.784,661 0.545,662 20.083,663 1.025,664 1.12,665 2.355,666 5.544,667 0.665,668 3.178,669 3.434,670 3.638,671 3.784,672 3.97,673 3.97,674 3.932,675 3.85,676 3.951,677 3.989,678 6.211,679 0.656,680 301.32,681 3.178,682 4.673,683 5.485,684 6.323,685 7.154,686 7.996,687 8.833,688 9.676,689 10.515,690 11.36,691 2.7,700 1,709 7,714 5,716 12,720 1,725 1,735 2,738 37,739 14,740 2,741 23,743 38,744 16,745 12,746 5,747 7,748 2,752 2,753 2,768 14,769 2,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 15,790 6,791 2,792 6,797 1,803 1,804 5,823 2,853 2,855 2,859 1,862 22,868 2,869 1,872 2,886 13.5,888 1,889 1,891 3,893 12,894 6.767,895 5.139,896 1.865,898 2.468,899 1.383,900 0.888,901 5.525,902 8.904,903 3.466,904 4.007,905 4.527,906 5.002,907 5.509,908 5.632,909 5.778,910 5.779,911 6.142,912 6.502,913 1,914 31,915 8.023,917 3.266,918 8.159,919 14.669,921 11.157,924 2.659,925 58.5,929 153.024,930 111.81,931 13.247,933 132.634,936 111.81,937 285.658,938 13.247,939 10.883,940 4.592,941 66.334,942 89.557,943 98.097,945 141.253,947 153.024,948 125.058,949 132.634,952 153.024,953 132.634,956 17.84,957 98.17,958 9.047,960 153.024,961 145.881,962 111.81,965 153.024,966 25.546,967 86.264,969 145.881,970 153.024,971 145.881,972 111.81,973 0.561,974 0.327,975 0.167,976 0.09,977 12,978 6,979 0.158,980 6,982 1,983 3.449,984 155.749,986 12,987 94.107,993 16.015,994 7.59,995 4.313,997 145.881,998 11.568,1003 2.805,1005 85.489,1006 410.716,1007 31,1013 10.784,1015 1.289,1016 2.958,1017 -0.963,1020 37.924,1021 41.452,1022 0.304,1023 0.672,1024 0.818,1025 0.909,1026 0.923,1027 0.923,1028 4.654,1029 1,1030 5.442,1031 2.275,1032 4.111,1033 4.691,1034 2.709,1035 6.18,1036 4.044,1037 5.845,1038 0.743,1039 6.963,1040 2.081,1041 3.611,1042 4.388,1044 6.974,1045 3.537,1046 7.13,1047 0.438,1048 8.581,1049 1.564,1050 5.638,1051 6.827,1052 3.425,1053 9.97,1054 5.522,1055 8.45,1056 -0.068,1057 10.255,1058 0.715,1059 5.943,1060 7.317,1062 11.55,1063 5.806,1064 9.798,1065 -0.444,1066 11.963,1067 -0.128,1068 7.424,1069 9.221,1070 4.274,1071 14.04,1072 7.259,1073 11.165,1074 -0.714,1075 13.693,1076 -0.876,1077 8.099,1078 10.085,1080 15.947,1081 7.903,1082 12.546,1083 -0.894,1084 15.438,1085 -1.417,1086 9.343,1087 11.744,1088 5.202,1089 18.253,1090 9.124,1091 2.911,1092 -1,1093 17.194,1094 -2,1095 10.202,1096 12.809,1098 20.31,1099 9.947,1100 2.779,1101 9.175,1102 18.959,1103 -2.265,1104 11.338,1105 14.338,1106 6.175,1107 22.546,1108 11.06,1109 2.379,1110 8.226,1111 20.73,1112 3.928,1113 12.291,1114 15.52,1116 24.676,1117 11.974,1118 2.24,1119 6.838,1120 22.506,1121 3.754,1122 13.378,1123 16.975,1124 7.176,1125 26.886,1126 13.036,1127 1.617,1128 6.589,1129 24.287,1130 3.051,1131 14.378,1132 18.226,1134 29.051,1135 13.998,1136 1.287,1137 4.232,1138 26.071,1139 2.956,1140 15.444,1141 19.64,1142 8.195,1143 31.254,1144 15.036,1145 1.119,1146 2.994,1147 27.859,1148 2.064,1149 16.47,1150 20.931,1152 33.437,1153 16.023,1154 5054,1155 9917,1156 14.909,1157 24.608,1158 33.608,1159 36.055,1160 34.82,1161 32.953,1162 33.026,1163 44.101,1164 10.289,1165 89.378,1166 31.794,1167 5.113,1168 5.624,1169 5.943,1170 4.919,1171 4.911,1172 6.928,1173 3.394,1174 15.468,1175 4.786,1176 12.213,1177 1.461,1178 1.568,1179 1.514,1180 1.433,1181 1.436,1182 1.917,1183 0.447,1184 3.886,1185 1.382,1186 3.975,1187 3.992,1188 3.925,1189 3.895,1190 7.475,1191 3.898,1192 3.89,1193 3.909,1194 3.841,1195 3.823,1196 6.546,1197 3.824,1198 3.408,1199 3.428,1200 3.348,1201 3.186,1202 6.351,1203 3.217,1204 3.32,1205 3.352,1206 3.244,1207 3.06,1208 4.934,1209 3.094,1210 3.193,1211 3.249,1212 3.026,1213 2.927,1214 4.694,1215 2.936,1216 2.993,1217 3.02,1218 2.871,1219 2.735,1220 4.437,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.653,1226 4.338,1227 2.701,1228 2.773,1229 2.846,1230 2.587,1231 2.624,1232 3.905,1233 2.603,1234 0.186,1235 0.158,1236 0.268,1237 0.168,1238 0.127,1239 4.278,1240 0.171,1241 3.624,1242 0.074,1243 6.174,1244 0.399,1245 3.863,1246 0.121,1247 2.911,1248 3.928,1249 1.697,1250 9.175,1251 2.786,1252 1.93,1253 1.912,1254 2.032,1255 2.03,1256 1.157,1257 2.028,1258 1.875,1259 1.858,1260 1.967,1261 1.968,1262 1.073,1263 1.968,1264 1.296,1265 1.275,1266 1.576,1267 1.571,1268 0.627,1269 1.554,1270 1.22,1271 1.169,1272 1.469,1273 1.525,1274 0.576,1275 1.506,1276 1.109,1277 1.053,1278 1.296,1279 1.412,1280 0.276,1281 1.372,1282 0.886,1283 0.821,1284 1.181,1285 1.219,1286 0.218,1287 1.177,1288 0.835,1289 0.805,1290 1.079,1291 1.062,1292 0.136,1293 1.107,1294 0.793,1295 0.724,1296 1.064,1297 0.989,1299 1.025,1300 3.85,1302 5.118,1304 6.586,1306 8.143,1308 9.744,1310 1.518,1314 17.367,1315 0.281,1318 10.893,1326 24.283,1327 58.537,1328 129.489,1329 157.589,1330 175.24,1331 177.995,1332 177.995,1333 42.884,1334 6.436,1335 88.35,1336 88.35,1337 12,1338 11.923,1339 3.907,1340 3.17,1341 42.485,1342 82,1343 80,1344 0.257,1345 152.817,1346 272.67,1347 364.635,1348 4663,1350 15.949,1351 0.725,1352 0.541,1353 15.949,1354 11.892,1355 10.635,1356 0.462,1357 0.28,1358 6.31,1359 10.043,1360 6.151,1361 5.151,1362 10.635,1363 6.443,1364 8.998,1365 0.3,1366 0.148,1367 8.998,1368 4.446,1369 7.25,1370 0.196,1371 0.081,1372 7.25,1373 2.99,1374 5.568,1375 0.129,1376 0.043,1377 5.568,1378 1.855,1379 4.297,1380 0.083,1381 0.024,1382 4.297,1383 1.229,1384 0.409,1385 68.296,1386 0.259,1387 22.109,1388 0.683,1389 106,1390 411.151,1391 119.344,1392 385.337,1393 501.65,1394 356,1395 120,1396 348.538,1397 132.682,1398 351.475,1399 498.24,1400 325,1401 5.751}
{0 CHEMBL1511037,1 1.641,2 10.852,3 5.193,4 26.969,5 115.227,6 8.768,7 0.533,8 3.914,9 4.005,10 3.677,11 3.581,12 5.04,13 3.526,14 4.419,15 4.556,16 4.152,17 3.972,18 5.505,19 3.897,20 4.579,21 4.736,22 4.089,23 4.054,24 5.657,25 3.956,26 4.676,27 4.85,28 4.07,29 4.119,30 5.761,31 3.982,32 4.657,33 4.821,34 4.173,35 4.125,36 5.785,37 3.995,38 4.742,39 4.958,40 4.072,41 4.113,42 5.794,43 3.929,44 4.513,45 4.716,46 3.734,47 3.853,48 5.55,49 3.659,50 4.287,51 4.479,52 3.622,53 3.67,54 5.36,55 3.516,56 0.006,57 0.584,58 7.217,59 4.006,60 5.261,61 4.717,62 0.152,63 1.036,64 18.765,65 7.373,66 13.432,67 8.134,68 0.273,69 1.198,70 20.626,71 8.566,72 20.027,73 9.376,74 0.197,75 1.309,76 26.628,77 10.856,78 37.887,79 12.066,80 0.256,81 1.266,82 25.371,83 10.582,84 33.588,85 12.1,86 0.258,87 1.419,88 33.629,89 13.121,90 38.68,91 14.963,92 0.257,93 1.15,94 30.265,95 10.712,96 41.174,97 11.071,98 0.178,99 0.912,100 21.732,101 7.959,102 29.889,103 8.288,104 17,105 43,106 0.279,107 0.612,108 0.744,109 0.827,110 0.86,111 0.86,112 3.34,113 0.979,114 -4.28,115 -4.22,116 -3.98,120 46.7,121 2,126 1,136 1,139 1,143 8,144 1,145 1,152 1,153 3,159 1,160 1,174 7,176 1,177 9,185 8,188 1,189 7,197 6,201 4,209 11,213 1,214 5,222 12,226 2,227 4,235 9,240 3,247 5,252 5,260 4,263 1,264 6,271 3,274 1062,275 18.206,276 18.206,277 18.206,278 18.206,279 18.206,280 15.765,281 17.403,282 10.647,283 18.667,284 14.791,285 14.791,286 14.791,287 14.791,288 14.791,289 11.101,290 16.791,291 5.064,292 15.585,293 3.851,294 1.894,295 1.117,296 0.628,297 0.434,298 0.434,299 4.031,306 1,307 1,308 641,309 2.646,312 236.858,313 92.44,320 1.635,321 20.052,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 57,333 293,334 4.608,335 4.909,336 6.861,337 4.197,338 3.248,339 4.348,340 4.507,341 11.333,342 3.09,343 4.379,344 3.69,345 6.654,346 4.048,347 3.131,348 3.724,349 1.22,350 10.593,351 2.878,352 3.923,353 3.37,354 5.781,355 3.524,356 2.537,357 3.47,358 0.587,359 7.851,360 2.503,361 3.825,362 3.311,363 5.476,364 3.409,365 2.425,366 3.34,367 0.401,368 7.115,369 2.384,370 3.489,371 2.728,372 5.231,373 2.999,374 2.058,375 2.737,377 6.169,378 1.938,379 3.229,380 2.503,381 4.984,382 2.793,383 1.841,384 2.41,386 5.338,387 1.724,388 3.001,389 2.126,390 4.662,391 2.565,392 1.617,393 2.156,395 4.537,396 1.541,397 2.925,398 1.818,399 4.479,400 2.44,401 1.542,402 1.98,404 4.09,405 1.33,406 2.636,407 1.759,408 3.609,409 2.207,410 1.211,411 1.669,413 2.816,414 1.203,415 2.507,416 1.626,417 3.513,418 2.066,419 1.102,420 1.5,422 2.593,423 1.048,424 2.5,425 1.283,426 3.247,427 2,428 1,429 1.492,431 2.136,432 1,433 2.118,434 1.192,435 3.181,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.878,443 1,444 3,445 1.335,446 0.353,447 0.491,449 0.925,450 0.34,451 1.27,452 0.618,453 2.81,454 0.947,455 -0.004,456 -0.004,458 -0.009,459 -0.003,460 1.026,461 0.386,462 2.565,463 0.631,464 -0.298,465 -0.362,467 -0.763,468 -0.269,469 13.633,470 0.505,471 0.716,472 0.027,473 35.25,474 1.306,475 18,476 0.667,477 17.25,478 0.639,479 23.357,480 0.865,481 27.167,482 0.604,483 25.102,484 0.93,485 7.043,486 0.261,487 5.999,488 0.222,489 0.159,491 0.352,496 0.751,497 1.133,498 0.621,499 0.813,500 0.571,501 0.827,502 0.832,503 1.102,504 0.581,505 0.776,506 0.586,507 0.786,508 1.193,509 0.906,510 0.892,511 0.837,512 0.964,513 0.917,514 0.954,515 1.065,516 1.063,517 1.079,518 1.098,519 1.079,520 0.627,521 1.071,522 0.907,523 1.085,524 0.72,525 1.047,526 0.718,527 0.925,528 1.047,529 1.024,530 1.096,531 0.961,532 1.241,533 1.1,534 1.48,535 1.286,536 1.649,537 1.134,538 1.263,539 0.989,540 1.299,541 1.114,542 1.457,543 0.998,544 5,545 0.143,546 3.111,547 3.215,548 1.366,549 1.049,550 0.649,551 0.372,552 0.24,553 0.209,554 9051,555 25387,556 2.097,557 40,559 11,560 1,563 6,567 1.701,568 1.952,569 3.397,570 -0.769,575 73.836,576 1.641,577 3.598,578 4.375,579 4.864,580 5.058,581 5.058,582 2.865,583 3.866,584 4.726,585 3.561,586 1249.77,587 8.205,588 15877,593 247.133,594 1.447,595 4.681,596 0.167,597 0.008,598 0.072,599 0.078,600 0.035,601 0.026,602 0.018,603 0.015,604 0.01,605 0.009,606 0.437,607 0.17,608 1,609 0.584,610 133.519,611 -0.005,612 -0.162,613 0.05,614 -0.027,615 -0.053,616 -0.007,617 0.109,618 -0.076,619 0.237,620 0.085,621 0.044,622 0.083,623 -0.1,624 0.125,625 -0.043,626 0.042,627 -0.062,628 -0.031,629 -0.075,630 -0.082,631 -0.094,632 -0.105,633 -0.009,634 -0.118,635 0.222,636 -0.113,637 0.064,638 -0.104,639 0.144,640 -0.081,641 0.123,642 0.051,643 0.088,644 0.063,645 0.077,646 0.093,647 -0.165,648 -0.084,649 -0.207,650 -0.118,651 -0.197,652 -0.093,653 -0.162,654 0.047,655 -0.13,656 -0.021,657 -0.102,659 1.745,660 5.82,661 0.778,662 25.037,663 1.002,664 1.102,665 3.05,666 9.304,667 0.74,668 3.434,669 3.784,670 4.094,671 4.382,672 4.477,673 4.522,674 4.7,675 4.82,676 4.852,677 4.905,678 6.377,679 0.69,680 394.55,681 3.434,682 4.99,683 5.861,684 6.756,685 7.643,686 8.543,687 9.437,688 10.339,689 11.237,690 12.142,691 4.4,698 1,699 1,709 9,712 1,714 5,715 1,716 16,738 45,739 19,740 1,741 30,743 48,744 21,745 14,746 1,747 5,748 3,752 4,753 4,759 2,768 18,769 3,772 3,778 1,779 1,780 1,782 3,788 1,789 18,790 3,792 6,793 2,797 2,800 1,803 1,804 2,818 1,822 3,823 1,845 2,852 1,855 4,857 2,859 2,862 27,869 1,873 1,875 1,886 4.4,889 1,891 1,893 13.833,894 8.9,895 5.861,896 2.614,898 3.178,899 1.428,900 1.009,901 5.085,902 10.594,903 3.738,904 4.344,905 4.924,906 5.492,907 5.831,908 6.11,909 6.568,910 6.954,911 7.211,912 7.496,913 1,914 41,915 9.963,917 4.245,918 7.679,919 19.086,921 15.711,924 2.179,925 58.833,928 1,929 211.88,930 217.353,931 5.023,933 34.652,935 77.412,936 139.942,937 246.532,938 5.023,939 17.65,940 5.23,941 97.026,942 31.4,943 17.349,944 22.733,945 232.328,946 45.192,947 211.88,948 144.965,949 34.652,950 77.412,952 211.88,953 34.652,956 24.78,957 109.159,958 11.027,959 77.412,960 211.88,961 39.676,962 217.353,965 211.88,966 57.485,967 119.7,969 79.844,970 211.88,971 39.676,972 217.353,973 0.588,974 0.356,975 0.199,976 0.096,977 22,978 10,979 0.083,980 4,982 1,983 3.881,984 236.049,986 21,987 124.382,989 1,990 1,993 18.293,994 7.506,995 3.548,997 37.777,998 17.545,1001 5.347,1003 5.063,1004 2.19,1006 468.909,1007 41,1013 12.82,1014 5.405,1015 1.934,1017 1.116,1020 45.08,1021 49.577,1022 0.299,1023 0.655,1024 0.797,1025 0.886,1026 0.921,1027 0.921,1028 4.984,1029 1.542,1030 5.861,1031 4.537,1032 4.466,1033 5.03,1034 3.76,1035 6.711,1036 4.369,1037 6.205,1038 1.211,1039 7.446,1040 4.09,1041 4.111,1042 4.82,1043 3.054,1044 7.676,1045 3.937,1046 7.521,1047 1.102,1048 9.134,1049 2.816,1050 6.094,1051 7.205,1052 6.567,1053 10.824,1054 5.893,1055 8.876,1056 1,1057 10.882,1058 2.593,1059 6.594,1060 7.849,1061 6.478,1062 12.651,1063 6.309,1064 10.264,1065 0.618,1066 12.669,1067 2.136,1068 8.045,1069 9.674,1070 9.502,1071 15.31,1072 7.728,1073 11.676,1074 0.353,1075 14.484,1076 1.372,1077 8.923,1078 10.723,1079 9.746,1080 17.484,1081 8.52,1082 13.107,1083 -0.004,1084 16.319,1085 0.925,1086 10.181,1087 12.321,1088 12.451,1089 19.979,1090 9.737,1091 3.248,1092 -0.298,1093 18.17,1094 -0.009,1095 11.223,1096 13.57,1097 12.932,1098 22.293,1099 10.698,1100 3.131,1101 11.333,1102 20.033,1103 -0.763,1104 12.413,1105 15.075,1106 15.408,1107 24.731,1108 11.838,1109 2.537,1110 10.593,1111 21.905,1112 4.348,1113 13.524,1114 16.424,1115 16.07,1116 27.1,1117 12.876,1118 2.425,1119 7.851,1120 23.786,1121 3.724,1122 14.692,1123 17.894,1124 18.371,1125 29.519,1126 13.99,1127 2.058,1128 7.115,1129 25.672,1130 3.47,1131 15.832,1132 19.295,1133 19.176,1134 31.912,1135 15.063,1136 1.841,1137 6.169,1138 27.564,1139 3.34,1140 16.994,1141 20.753,1142 21.339,1143 34.325,1144 16.17,1145 1.617,1146 5.338,1147 29.46,1148 2.737,1149 18.147,1150 22.182,1151 22.261,1152 36.728,1153 17.261,1154 8552,1155 14529,1156 19.997,1157 33.307,1158 46.504,1159 50.105,1160 46.823,1161 45.527,1162 45.366,1163 60.489,1164 13.43,1165 133.735,1166 43.192,1167 5.538,1168 6.909,1169 6.663,1170 5.331,1171 5.248,1172 7.348,1173 8.641,1174 18.567,1175 5.09,1176 12.816,1177 1.55,1178 1.67,1179 1.561,1180 1.518,1181 1.512,1182 2.016,1183 0.448,1184 4.458,1185 1.44,1186 4.084,1187 4.119,1188 4.222,1189 3.991,1190 7.428,1191 3.994,1192 3.922,1193 3.937,1194 4.006,1195 3.806,1196 5.075,1197 3.793,1198 3.794,1199 3.819,1200 3.821,1201 3.722,1202 4.871,1203 3.721,1204 3.669,1205 3.682,1206 3.692,1207 3.614,1208 4.743,1209 3.568,1210 3.214,1211 3.301,1212 3.385,1213 3.099,1214 4.603,1215 3.053,1216 3.117,1217 3.187,1218 3.057,1219 2.994,1220 4.029,1221 2.954,1222 2.863,1223 2.961,1224 2.955,1225 2.858,1226 3.848,1227 2.765,1228 2.854,1229 2.925,1230 2.747,1231 2.735,1232 3.674,1233 2.715,1234 0.154,1235 0.164,1236 0.229,1237 0.14,1238 0.108,1239 4.608,1240 0.145,1241 4.909,1242 0.15,1243 6.861,1244 0.378,1245 4.197,1246 0.103,1247 3.248,1248 4.348,1249 4.507,1250 11.333,1251 3.09,1252 1.917,1253 1.884,1254 2.03,1255 2.026,1256 1.125,1257 2.028,1258 1.715,1259 1.697,1260 1.828,1261 1.834,1262 0.989,1263 1.824,1264 1.6,1265 1.567,1266 1.759,1267 1.744,1268 0.95,1269 1.756,1270 1.543,1271 1.486,1272 1.746,1273 1.715,1274 0.856,1275 1.733,1276 1.403,1277 1.371,1278 1.58,1279 1.586,1280 0.623,1281 1.589,1282 1.292,1283 1.275,1284 1.48,1285 1.473,1286 0.594,1287 1.477,1288 1.119,1289 1.142,1290 1.181,1291 1.271,1292 0.264,1293 1.279,1294 0.886,1295 0.821,1296 1.176,1297 1.098,1298 0.224,1299 1.13,1300 4.111,1302 5.451,1303 3.434,1304 6.969,1305 5.82,1306 8.567,1307 7.901,1308 10.212,1310 4.134,1315 0.359,1319 1.336,1321 1.584,1326 31.061,1327 73.836,1328 161.914,1329 196.869,1330 218.869,1331 227.624,1332 227.624,1333 40.593,1334 7.416,1335 40.07,1336 100.4,1337 21,1338 12.662,1339 4.322,1340 3.585,1341 40.234,1342 104,1343 94,1344 0.192,1345 197.205,1346 339.92,1347 472.94,1348 16181,1350 18.966,1351 0.702,1352 0.616,1353 19.819,1354 16.641,1355 13.042,1356 0.435,1357 0.326,1358 8.58,1359 12.036,1360 8.183,1361 6.805,1362 13.739,1363 9.79,1364 11.926,1365 0.277,1366 0.187,1367 13.1,1368 8.02,1369 10.387,1370 0.176,1371 0.1,1372 11.535,1373 5.917,1374 8.918,1375 0.113,1376 0.057,1377 10.196,1378 4.49,1379 6.358,1380 0.073,1381 0.033,1382 7.527,1383 2.834,1384 0.299,1385 87.743,1386 0.224,1387 25.886,1388 0.528,1389 146,1390 414.482,1391 202.712,1392 446.774,1393 613.68,1394 418,1395 175,1396 431.861,1397 219.766,1398 461.993,1399 680.47,1400 434,1401 5.803}
{0 CHEMBL1513972,1 1.197,2 12.371,3 6.156,4 37.895,5 149.076,6 6.294,7 0.605,8 4.346,9 4.487,10 3.769,11 3.935,12 5.299,13 3.863,14 4.891,15 5.092,16 4.054,17 4.327,18 5.737,19 4.218,20 5.19,21 5.437,22 4.103,23 4.488,24 5.955,25 4.336,26 5.301,27 5.578,28 4.037,29 4.488,30 5.988,31 4.307,32 5.324,33 5.611,34 4.061,35 4.476,36 6.009,37 4.301,38 5.341,39 5.625,40 4.1,41 4.505,42 6.043,43 4.334,44 5.381,45 5.66,46 4.134,47 4.566,48 6.087,49 4.391,50 5.422,51 5.707,52 4.143,53 4.609,54 6.123,55 4.428,56 0.094,57 1.014,58 17.47,59 7.245,60 14.062,61 10.452,62 0.19,63 1.671,64 30.278,65 11.985,66 22.861,67 17.535,68 0.303,69 2.149,70 40.687,71 16.231,72 33.261,73 23.673,74 0.27,75 2.309,76 45.167,77 17.845,78 35.167,79 26.268,80 0.314,81 2.376,82 46.531,83 17.396,84 37.467,85 26.011,86 0.357,87 2.437,88 47.473,89 17.598,90 39.379,91 26.316,92 0.311,93 2.513,94 49.09,95 19.013,96 40.878,97 28.132,98 0.328,99 2.596,100 51.076,101 19.975,102 43.048,103 29.455,104 7,105 49,106 0.185,107 0.447,108 0.623,109 0.777,110 0.869,111 0.882,112 3.588,113 1.017,114 -6.42,115 -6.25,116 -5.8,120 43.2,121 1,122 3,125 1,126 3,128 2,143 16,144 6,174 27,182 3,185 34,193 2,194 5,197 27,206 8,209 13,219 13,222 7,231 1,232 13,235 7,245 11,247 15,257 8,260 24,269 6,271 34,274 2905,275 24.283,276 24.283,277 24.283,278 24.283,279 24.283,280 21.47,281 24.311,282 15.043,283 24.491,284 18.796,285 18.796,286 18.796,287 18.796,288 18.796,289 14.787,290 27.169,291 7.141,292 19.082,293 5.012,294 3.317,295 2.178,296 1.181,297 0.588,298 0.507,299 4.289,307 1,308 928,309 4.243,313 490.322,317 180.706,320 1.675,321 13.768,324 0.75,325 0.5,326 0.67,327 0.7,328 0.5,329 0.67,330 0.5,331 0.61,332 71.5,333 433,334 4.497,335 3.139,336 6.515,337 4.044,338 3.045,339 4.431,340 0.4,341 10.241,342 3.041,343 4.012,344 2.894,345 5.591,346 3.661,347 2.68,348 3.614,349 0.4,350 7.719,351 2.634,352 3.936,353 2.807,354 5.455,355 3.62,356 2.622,357 3.456,358 0.4,359 7.249,360 2.617,361 3.635,362 2.642,363 5.405,364 3.45,365 2.475,366 2.944,368 7.128,369 2.411,370 3.43,371 2.383,372 5.077,373 3.188,374 2.213,375 2.71,377 6.116,378 2.154,379 3.408,380 2.353,381 4.977,382 3.106,383 2.108,384 2.506,386 5.763,387 2.105,388 3.216,389 2.101,390 4.886,391 2.942,392 1.955,393 2.427,395 5.667,396 1.926,397 3.118,398 1.618,399 4.145,400 2.618,401 1.618,402 2.294,404 3.773,405 1.618,406 2.849,407 1.567,408 3.6,409 2.435,410 1.441,411 1.975,413 3.055,414 1.432,415 2.767,416 1.508,417 3.594,418 2.272,419 1.273,420 1.899,422 2.836,423 1.272,424 2.5,425 1.306,426 3.471,427 2.161,428 1.214,429 1.5,431 2.596,432 1.148,433 2.5,434 1.257,435 3.414,436 2.01,437 1.071,438 1.5,440 2.275,441 1.003,442 2.365,443 1,444 3.361,445 2,446 1,447 1.321,449 2.187,450 1,451 2.251,452 1,453 3.247,454 2,455 1,456 1.231,458 2.136,459 1,460 2.077,461 0.996,462 3.179,463 1.874,464 0.888,465 1.058,467 1.843,468 0.875,469 17.2,470 0.491,471 0.55,472 0.016,473 42.5,474 1.214,475 22,476 0.629,477 20.5,478 0.586,479 34.062,480 0.973,481 37.4,482 0.505,483 32.066,484 0.916,485 8.533,486 0.244,487 8.675,488 0.248,489 0.058,491 0.233,496 1.197,497 1.163,498 1.002,499 1.042,500 1.108,501 1.017,502 1.496,503 1.079,504 1.112,505 1.034,506 1.144,507 1.049,508 1.196,509 1.021,510 1.104,511 1.051,512 1.075,513 1.068,514 1.086,515 1.117,516 1.028,517 1.059,518 0.951,519 1.044,520 1.364,521 1.085,522 1.001,523 0.979,524 0.997,525 0.972,526 1.438,527 1.04,528 1.023,529 0.963,530 1.04,531 0.969,532 1.222,533 1.071,534 1.015,535 1.007,536 0.991,537 1.001,538 1.267,539 0.939,540 1.011,541 0.937,542 1.083,543 0.956,544 5.5,545 0.231,546 2.667,547 1.375,548 1.289,549 0.583,550 0.507,551 0.351,552 0.39,553 0.278,554 18752,555 35879,556 2.109,557 52.7,558 3,559 27,562 3,564 6,567 1.775,568 2.039,569 3.554,570 0.65,575 88.614,576 1.197,577 2.892,578 4.031,579 5.028,580 5.621,581 5.703,582 2.988,583 4.765,584 5.101,585 3.764,586 2239.72,587 8.998,588 37163.6,593 459.5,594 1.069,595 5.09,596 0.145,597 0.004,598 0.054,599 0.028,600 0.029,601 0.013,602 0.011,603 0.007,604 0.008,605 0.005,606 0.305,607 0.5,608 0.63,609 0.676,610 190.519,611 -0.017,612 0.016,613 0.042,614 0.04,615 -0.03,616 0.043,617 -0.169,618 0.041,619 -0.079,620 -0.01,621 -0.108,622 -0.035,623 0.012,624 0.028,625 -0.094,626 -0.057,627 -0.079,628 -0.077,629 0.008,630 -0.125,631 -0.036,632 -0.084,633 -0.013,634 -0.066,635 -0.004,636 -0.077,637 0.005,638 -0.03,639 0.007,640 -0.015,641 0.008,642 -0.018,643 -0.011,644 -0.017,645 -0.007,646 -0.016,647 -0.018,648 -0.069,649 -0.017,650 -0.04,651 -0.001,652 -0.031,653 -0.096,654 0.056,655 -0.016,656 0.029,657 -0.083,658 0.014,659 0.985,660 1.374,661 0.629,662 39.314,663 0.976,664 1.121,665 5.19,666 26.937,667 0.658,668 3.664,669 3.912,670 4.127,671 4.344,672 4.554,673 4.5,674 4.575,675 4.673,676 4.787,677 4.796,678 7.832,679 0.602,680 465.74,681 3.664,682 5.165,683 5.979,684 6.817,685 7.646,686 8.49,687 9.326,688 10.172,689 11.013,690 11.861,691 4.1,693 3,708 2,709 16,714 4,716 23,738 74,739 23,740 4,741 38,743 77,744 32,745 22,746 6,747 16,752 4,753 5,759 1,766 5,768 22,769 10,789 39,790 3,791 3,792 3,797 3,803 0.75,823 4,827 1,849 3,855 3,859 2,862 35,869 6,871 3,874 2,893 17.167,894 13.25,895 7.972,896 4.514,898 3.096,899 1.41,900 0.982,901 9.48,902 10.65,903 3.922,904 4.46,905 4.994,906 5.532,907 6.064,908 6.089,909 6.354,910 6.657,911 6.956,912 6.734,913 1,914 49,915 12.957,917 5.269,918 7.362,919 25.904,921 21.209,924 1.862,925 65.167,929 423.76,930 200.65,931 54.032,936 200.65,937 423.76,938 54.032,939 17.222,940 13.921,941 205.652,943 17.888,945 423.76,947 423.76,948 254.683,952 353.133,953 70.627,956 76.778,957 177.905,960 423.76,961 54.032,962 200.65,965 423.76,966 31.809,967 168.842,968 54.032,970 423.76,971 54.032,972 200.65,973 0.557,974 0.316,975 0.174,976 0.098,977 20,978 8,979 0.169,980 13,981 1,982 1.091,983 4.696,984 312.725,985 0.091,986 22,987 169.525,993 25.129,994 13.204,995 7.763,996 2.671,997 54.032,998 35.09,1003 5.481,1005 54.032,1006 678.442,1007 49.5,1020 72.21,1021 82.969,1022 0.193,1023 0.466,1024 0.649,1025 0.81,1026 0.905,1027 0.918,1028 5.11,1029 1.618,1030 5.905,1031 5.667,1032 4.595,1033 5.147,1034 0.673,1035 6.616,1036 4.569,1037 6.265,1038 1.441,1039 7.392,1040 3.773,1041 3.892,1042 4.677,1044 7.298,1045 3.867,1046 7.524,1047 1.273,1048 8.977,1049 3.055,1050 6.084,1051 7.278,1052 0.143,1053 10.377,1054 6.04,1055 8.819,1056 1.214,1057 10.624,1058 2.836,1059 6.236,1060 7.71,1062 11.956,1063 6.195,1064 10.149,1065 1.071,1066 12.312,1067 2.596,1068 7.828,1069 9.732,1070 0.024,1071 14.52,1072 7.773,1073 11.505,1074 1,1075 14.032,1076 2.275,1077 8.414,1078 10.645,1080 16.502,1081 8.362,1082 12.881,1083 1,1084 15.774,1085 2.187,1086 9.727,1087 12.388,1088 0.004,1089 18.897,1090 9.666,1091 3.045,1092 0.888,1093 17.535,1094 2.136,1095 10.547,1096 13.569,1098 21.067,1099 10.489,1100 2.68,1101 10.241,1102 19.312,1103 1.843,1104 11.728,1105 15.172,1106 0.001,1107 23.408,1108 11.666,1109 2.622,1110 7.719,1111 21.102,1112 4.431,1113 12.674,1114 16.499,1116 25.663,1117 12.616,1118 2.475,1119 7.249,1120 22.903,1121 3.614,1122 13.797,1123 18.035,1125 27.99,1126 13.736,1127 2.213,1128 7.128,1129 24.715,1130 3.456,1131 14.812,1132 19.439,1134 30.283,1135 14.755,1136 2.108,1137 6.116,1138 26.535,1139 2.944,1140 15.912,1141 20.945,1143 32.607,1144 15.854,1145 1.955,1146 5.763,1147 28.364,1148 2.71,1149 16.964,1150 22.389,1152 34.918,1153 16.909,1154 17809,1155 24722,1156 26.118,1157 48.722,1158 54.716,1159 54.83,1160 55.638,1161 54.445,1162 54.48,1163 71.115,1164 2.4,1165 144.036,1166 53.693,1167 5.453,1168 5.139,1169 6.316,1170 5.072,1171 5.045,1172 7.431,1173 0.8,1174 17.075,1175 5.041,1176 11.841,1177 1.44,1178 1.443,1179 1.464,1180 1.433,1181 1.434,1182 1.871,1183 0.063,1184 3.79,1185 1.413,1186 4.103,1187 4.127,1188 4.05,1189 4.063,1190 4.9,1191 4.057,1192 3.956,1193 3.992,1194 3.879,1195 3.895,1196 4.761,1197 3.887,1198 3.92,1199 3.954,1200 3.843,1201 3.861,1202 4.733,1203 3.852,1204 3.733,1205 3.799,1206 3.617,1207 3.576,1208 4.426,1209 3.577,1210 3.6,1211 3.678,1212 3.463,1213 3.441,1214 4.342,1215 3.436,1216 3.465,1217 3.519,1218 3.346,1219 3.359,1220 4.264,1221 3.349,1222 3.375,1223 3.457,1224 3.207,1225 3.236,1226 4.06,1227 3.219,1228 3.261,1229 3.348,1230 3.074,1231 3.045,1232 3.913,1233 3.038,1234 0.118,1235 0.083,1236 0.171,1237 0.106,1238 0.08,1239 4.497,1240 0.117,1241 3.139,1242 0.011,1243 6.515,1244 0.269,1245 4.044,1246 0.08,1247 3.045,1248 4.431,1249 0.4,1250 10.241,1251 3.041,1252 2.086,1253 2.067,1254 2.173,1255 2.141,1256 1.384,1257 2.153,1258 1.942,1259 1.913,1260 2.076,1261 2.035,1262 1.295,1263 2.05,1264 1.928,1265 1.896,1266 2.065,1267 2.02,1268 1.252,1269 2.038,1270 1.709,1271 1.646,1272 1.908,1273 1.895,1274 1.124,1275 1.905,1276 1.583,1277 1.516,1278 1.819,1279 1.797,1280 0.996,1281 1.81,1282 1.481,1283 1.429,1284 1.711,1285 1.627,1286 0.934,1287 1.658,1288 1.386,1289 1.32,1290 1.646,1291 1.586,1292 0.717,1293 1.611,1294 1.259,1295 1.164,1296 1.58,1297 1.486,1298 0.679,1299 1.523,1300 4.344,1302 5.609,1304 7.069,1306 8.618,1308 10.213,1310 4.179,1315 5.896,1317 11.115,1320 0.734,1326 44.547,1327 88.614,1328 214.041,1329 298.299,1330 372.074,1331 415.99,1332 421.99,1333 54.61,1334 7.553,1335 36.09,1336 36.09,1337 24,1338 12.422,1339 4.585,1340 3.644,1341 58.992,1342 153,1343 186,1344 0.167,1345 276.333,1346 473.08,1347 666.013,1348 20121,1350 24.296,1351 0.694,1352 0.604,1353 24.296,1354 21.135,1355 17.208,1356 0.453,1357 0.339,1358 12.814,1359 16.981,1360 12.398,1361 10.398,1362 17.208,1363 12.885,1364 14.53,1365 0.297,1366 0.196,1367 14.53,1368 9.582,1369 11.791,1370 0.193,1371 0.111,1372 11.791,1373 6.742,1374 9.639,1375 0.127,1376 0.063,1377 9.639,1378 4.798,1379 7.943,1380 0.084,1381 0.036,1382 7.943,1383 3.427,1384 0.265,1385 104.759,1386 0.196,1387 32.442,1388 0.456,1389 174,1390 338.999,1391 178.496,1392 349.732,1393 492.32,1394 332,1395 197,1396 362.662,1397 201.718,1398 380.728,1399 545.22,1400 359,1401 4.733}
{0 CHEMBL1514691,1 1.837,2 7.938,3 2.523,4 6.364,5 60.13,6 9.444,7 0.647,8 3.306,9 3.422,10 3.056,11 2.764,12 4.713,13 2.818,14 3.694,15 3.825,16 3.334,17 3.06,18 5.269,19 3.104,20 3.805,21 4.009,22 3.183,23 2.959,24 5.174,25 2.988,26 3.66,27 3.855,28 2.963,29 2.682,30 5.131,31 2.756,32 3.359,33 3.531,34 2.77,35 2.526,36 4.768,37 2.586,38 3.222,39 3.382,40 2.775,41 2.541,42 4.714,43 2.57,44 3.3,45 3.503,46 2.554,47 2.525,48 4.649,49 2.479,50 3.098,51 3.345,52 2.218,53 2.196,54 4.185,55 2.124,56 0.169,57 0.398,58 2.615,59 1.455,60 7.513,61 1.581,62 0.283,63 0.551,64 4.314,65 2.344,66 38.509,67 2.518,68 0.317,69 0.523,70 7.347,71 2.403,72 24.816,73 2.942,74 0.372,75 0.396,76 7.223,77 1.726,78 43.294,79 1.7,80 0.273,81 0.318,82 5.004,83 1.457,84 39.672,85 1.371,86 0.185,87 0.321,88 3.081,89 1.251,90 14.434,91 1.423,92 0.205,93 0.302,94 4.396,95 1.694,96 16.761,97 2.214,98 0.163,99 0.209,100 4.923,101 1.762,102 18.261,103 2.515,104 6,105 22,106 0.366,107 0.663,108 0.779,109 0.814,110 0.814,111 0.814,112 2.85,113 0.778,114 -2.91,115 -2.92,116 -2.82,120 39.1,143 4,145 2,146 1,152 1,163 1,167 3,174 2,176 2,177 4,180 2,185 2,188 1,189 10,192 1,197 2,201 6,213 1,214 2,219 2,226 3,227 2,232 2,239 2,251 1,255 1,263 2,267 2,274 264,275 10.776,276 10.776,277 10.776,278 10.776,279 10.776,280 9.021,281 12.396,282 6.54,283 11.048,284 8.384,285 8.384,286 8.384,287 8.384,288 8.384,289 5.823,290 10.143,291 3.11,292 8.806,293 2.687,294 1.196,295 0.609,296 0.435,297 0.435,298 0.435,299 3.502,306 1,307 1,308 264,309 2.55,312 48.204,313 53.951,320 1.445,321 19.108,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 36.5,333 127,334 4.26,335 3.778,336 5.929,337 3.76,338 2.788,339 3.96,340 2.612,341 8.229,342 2.707,343 3.994,344 2.736,345 5.41,346 3.483,347 2.562,348 3.567,350 7.138,351 2.369,352 3.761,353 2.525,354 5.229,355 3.267,356 2.311,357 3.257,359 6.614,360 2.195,361 3.029,362 1.935,363 3.804,364 2.344,365 1.371,366 2.175,368 3.062,369 1.333,370 2.744,371 1.356,372 3.498,373 2.172,374 1.202,375 1.79,377 2.699,378 1.163,379 2.5,380 1,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.195,389 1,390 3,391 1.518,392 0.618,393 0.927,395 1.372,396 0.556,397 2.118,398 0.618,399 2.943,400 1.491,401 0.517,402 0.836,404 1.201,405 0.502,406 1.014,407 0.606,408 2.183,409 0.565,410 -0.399,411 -0.532,413 -0.934,414 -0.382,415 1,416 -0.166,417 2,419 -1,420 -1.341,422 -2,423 -0.987,424 0.5,425 -0.796,426 1.781,428 -1,429 -1.5,431 -2.548,432 -1,433 0.269,434 -1,435 1.123,436 -0.1,437 -1.045,438 -2,440 -3,441 -1,442 -0.118,443 -1.317,444 1,445 -0.619,446 -1.562,447 -2.097,449 -3.894,450 -1.456,451 -0.196,452 -1.611,453 1,454 -0.718,455 -1.618,456 -2.397,458 -4.372,459 -1.47,460 -0.447,461 -1.618,462 0.731,463 -0.819,464 -1.766,465 -2.427,467 -5.029,468 -1.67,469 7.167,470 0.448,471 0.332,472 0.021,473 26.25,474 1.641,475 15.5,476 0.969,477 10.75,478 0.672,479 6.466,480 0.404,481 16.833,482 0.732,483 15.397,484 0.962,485 5.358,486 0.335,487 2.396,488 0.15,489 0.093,491 0.265,496 0.436,497 1.205,498 0.571,499 0.937,500 0.511,501 0.83,502 0.533,503 1.195,504 0.758,505 1.182,506 0.414,507 1.079,508 0.886,509 1.119,510 0.997,511 1.13,512 0.625,513 1.082,514 1.697,515 1.061,516 1.298,517 0.856,518 1.564,519 0.895,520 1.572,521 0.887,522 1.171,523 0.716,524 1.663,525 0.789,526 0.58,527 0.963,528 0.954,529 0.949,530 0.437,531 1.034,532 0.494,533 0.964,534 1.122,535 1.203,536 0.424,537 1.34,538 0.403,539 0.752,540 0.786,541 1.273,542 0.59,543 1.223,544 3,545 0.04,546 1.556,547 0.472,548 0.547,549 0.358,550 0.11,551 0.106,552 0.108,553 0.055,554 2162,555 8887,556 2.03,557 30.4,559 4,560 1,561 1,562 1,567 1.541,568 1.92,569 3.011,570 -0.046,574 1,575 42.251,576 1.837,577 3.327,578 3.915,579 4.089,580 4.089,581 4.089,582 2.483,583 3.25,584 3.972,585 3.161,586 379.283,587 6.642,588 3374.31,590 1,593 104.042,594 1.299,595 3.94,596 0.176,597 0.01,598 0.071,599 0.026,600 0.039,601 0.03,602 0.009,603 0.012,604 0.018,605 0.009,606 0.401,607 0.67,608 1,609 0.875,610 66.103,611 0.217,612 -0.019,613 0.052,614 0.028,615 -0.018,616 -0.02,617 0.202,618 -0.083,619 -0.044,620 -0.206,621 0.238,622 -0.217,623 -0.103,624 -0.154,625 -0.024,626 -0.194,627 0.033,628 -0.093,629 -0.556,630 -0.184,631 -0.241,632 0.036,633 -0.339,634 0.04,635 -0.46,636 0.04,637 -0.195,638 0.226,639 -0.437,640 0.136,641 0.158,642 0.134,643 -0.173,644 -0.028,645 0.142,646 -0.173,647 0.227,648 -0.02,649 -0.132,650 -0.183,651 0.163,652 -0.263,653 0.385,654 0.025,655 0.47,656 -0.166,657 0.127,658 0.078,659 2.465,660 3.393,661 0.688,662 11.563,663 1.046,664 1.145,665 1.68,666 2.822,667 0.683,668 2.89,669 3.135,670 3.296,671 3.401,672 3.434,673 3.434,674 3.367,675 3.296,676 3.367,677 3.219,678 4.945,679 0.698,680 217.21,681 2.89,682 4.369,683 5.165,684 5.984,685 6.795,686 7.615,687 8.43,688 9.251,689 10.068,690 10.889,691 21.7,699 1,701 1,702 1,704 2,709 6,710 1,711 1,714 3,716 11,731 1,738 23,739 14,740 1,741 17,743 24,744 9,745 9,746 2,747 4,752 2,753 2,768 9,772 3,775 1,778 2,781 2,786 1,789 7,790 5,791 1,792 7,794 1,797 5,802 1,803 1,804 2,822 1,823 1,855 2,862 16,886 8.7,892 2,893 8.333,894 4.133,895 3.611,896 1.186,898 2.674,899 1.466,900 0.952,901 2.918,902 8.407,903 3.277,904 3.845,905 4.352,906 4.828,907 5.157,908 5.455,909 5.773,910 5.91,911 6.377,912 6.614,913 1,914 18,915 5.791,916 0.001,917 2.381,918 8.281,919 10.394,921 7.793,924 2.781,925 44.5,926 0.001,929 70.627,930 63.412,931 72.567,933 50.747,936 63.412,937 121.374,938 72.567,939 5.67,941 46.952,942 28.557,943 33.246,944 45.097,945 47.084,946 50.747,947 70.627,948 135.98,949 50.747,952 70.627,954 50.747,956 27.732,957 52.466,958 55.782,960 70.627,961 123.314,962 63.412,965 70.627,966 7.413,967 61.67,968 16.786,969 100.858,970 70.627,971 123.314,972 63.412,973 0.569,974 0.315,975 0.149,976 0.068,977 10,978 4,979 0.125,980 3,982 1,983 2.969,984 98.234,986 11,987 58,993 10.302,994 4.532,995 2.645,997 100.858,998 8.969,999 3.853,1000 2.757,1003 0.942,1005 16.786,1006 257.353,1007 25.5,1010 -0.465,1013 20.787,1016 7.657,1020 24.047,1021 26.326,1022 0.406,1023 0.736,1024 0.865,1025 0.904,1026 0.904,1027 0.904,1028 4.44,1029 0.517,1030 5.106,1031 1.372,1032 3.807,1033 4.527,1034 2.501,1035 5.79,1036 3.716,1037 5.639,1038 -0.399,1039 6.592,1040 1.201,1041 3.219,1042 4.182,1043 2.361,1044 6.457,1045 3.071,1046 6.918,1047 -1,1048 8.173,1049 -0.934,1050 5.283,1051 6.693,1052 4.154,1053 9.422,1054 5.096,1055 8.237,1056 -1,1057 9.811,1058 -2,1059 5.525,1060 7.212,1061 4.506,1062 10.897,1063 5.277,1064 9.583,1065 -1.045,1066 11.483,1067 -2.548,1068 7.009,1069 9.1,1070 5.948,1071 13.315,1072 6.736,1073 10.949,1074 -1.562,1075 13.177,1076 -3,1077 7.623,1078 10.01,1079 6.556,1080 15.112,1081 7.292,1082 12.329,1083 -1.618,1084 14.887,1085 -3.894,1086 8.856,1087 11.63,1088 7.794,1089 17.328,1090 8.504,1091 2.788,1092 -1.766,1093 16.607,1094 -4.372,1095 9.652,1096 12.739,1097 8.548,1098 19.273,1099 9.251,1100 2.562,1101 8.229,1102 18.334,1103 -5.029,1104 10.766,1105 14.231,1106 9.67,1107 21.409,1108 10.345,1109 2.311,1110 7.138,1111 20.068,1112 3.96,1113 11.659,1114 15.447,1115 10.509,1116 23.426,1117 11.194,1118 1.371,1119 6.614,1120 21.806,1121 3.567,1122 12.716,1123 16.875,1124 11.563,1125 25.532,1126 12.231,1127 1.202,1128 3.062,1129 23.547,1130 3.257,1131 13.66,1132 18.152,1133 12.452,1134 27.586,1135 13.139,1136 1,1137 2.699,1138 25.292,1139 2.175,1140 14.691,1141 19.548,1142 13.468,1143 29.682,1144 14.148,1145 0.618,1146 2.275,1147 27.04,1148 1.79,1149 15.663,1150 20.86,1151 14.386,1152 31.756,1153 15.089,1154 2187,1155 4546,1156 11.326,1157 15.699,1158 25.204,1159 25.601,1160 25.042,1161 24.729,1162 24.739,1163 36.022,1164 5.225,1165 65.18,1166 23.651,1167 4.884,1168 5.778,1169 5.56,1170 4.803,1171 4.788,1172 6.96,1173 4.612,1174 13.766,1175 4.707,1176 6.75,1177 1.483,1178 1.506,1179 1.473,1180 1.455,1181 1.455,1182 2.119,1183 0.307,1184 3.834,1185 1.391,1186 3.994,1187 4.033,1188 3.959,1189 3.854,1190 7.815,1191 3.867,1192 3.867,1193 3.932,1194 3.822,1195 3.634,1196 6.999,1197 3.671,1198 3.5,1199 3.529,1200 3.478,1201 3.07,1202 5.132,1203 3.17,1204 2.96,1205 3.041,1206 2.916,1207 2.735,1208 4.785,1209 2.715,1210 2.854,1211 2.925,1212 2.687,1213 2.586,1214 4.403,1215 2.669,1216 2.491,1217 2.597,1218 2.362,1219 2.258,1220 3.674,1221 2.292,1222 2.394,1223 2.486,1224 2.241,1225 2.016,1226 3.611,1227 2.053,1228 1.993,1229 2.116,1230 1.848,1231 1.635,1232 3.39,1233 1.686,1234 0.251,1235 0.222,1236 0.349,1237 0.221,1238 0.164,1239 4.26,1240 0.233,1241 3.778,1242 0.154,1243 5.929,1244 0.484,1245 3.76,1246 0.159,1247 2.788,1248 3.96,1249 2.612,1250 8.229,1251 2.707,1252 1.908,1253 1.88,1254 1.999,1255 2.082,1256 1.065,1257 2.042,1258 1.445,1259 1.369,1260 1.618,1261 1.772,1262 0.585,1263 1.708,1264 1.326,1265 1.265,1266 1.402,1267 1.647,1268 0.268,1269 1.582,1270 1.161,1271 1.123,1272 1.224,1273 1.524,1274 0.218,1275 1.471,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.136,1281 1.107,1282 0.59,1283 0.531,1284 0.743,1285 0.982,1287 0.923,1288 0.144,1289 0.029,1290 0.467,1291 0.518,1293 0.525,1296 0.381,1297 0.133,1299 0.23,1300 3.555,1302 4.812,1303 2.398,1304 6.244,1305 4.443,1306 7.751,1307 6.26,1308 9.296,1326 16.063,1327 42.251,1328 76.532,1329 90.042,1330 94.042,1331 94.042,1332 94.042,1333 21.382,1334 5.733,1335 99.22,1336 99.22,1337 11,1338 11.47,1339 3.907,1340 3.248,1341 26.249,1342 47,1343 36,1344 0.277,1345 103.787,1346 171.84,1347 245,1348 1845,1350 11.38,1351 0.711,1352 0.504,1353 11.38,1354 8.069,1355 7.754,1356 0.456,1357 0.259,1358 4.305,1359 7.235,1360 4.267,1361 3.568,1362 7.754,1363 4.411,1364 6.753,1365 0.307,1366 0.131,1367 6.753,1368 2.886,1369 5.292,1370 0.204,1371 0.069,1372 5.292,1373 1.805,1374 3.914,1375 0.135,1376 0.036,1377 3.914,1378 1.058,1379 2.565,1380 0.086,1381 0.019,1382 2.565,1383 0.561,1384 0.438,1385 50.239,1386 0.297,1387 16.634,1388 0.742,1389 78,1390 330.384,1391 91.226,1392 316.358,1393 416.33,1394 290,1395 87,1396 309.264,1397 99.98,1398 303.718,1399 428.35,1400 283,1401 5.071}
{0 CHEMBL1516783,1 1.509,2 8.556,3 2.049,4 4.198,5 68.977,6 7.433,7 0.316,8 3.581,9 3.684,10 3.139,11 3.109,12 4.718,13 3.095,14 4.11,15 4.271,16 3.457,17 3.442,18 5.296,19 3.408,20 4.296,21 4.503,22 3.421,23 3.508,24 5.382,25 3.451,26 4.212,27 4.38,28 3.339,29 3.433,30 5.457,31 3.379,32 4.201,33 4.414,34 3.159,35 3.285,36 5.582,37 3.184,38 3.946,39 4.186,40 2.949,41 3.056,42 5.019,43 2.972,44 3.824,45 4.012,46 2.92,47 2.846,48 5.104,49 2.845,50 3.661,51 3.831,52 2.674,53 2.73,54 4.931,55 2.708,56 0.023,57 0.44,58 6.513,59 3.141,60 5.705,61 3.922,62 0.268,63 0.699,64 12.752,65 4.901,66 24.058,67 6.446,68 0.262,69 0.794,70 16.588,71 5.837,72 33.602,73 7.745,74 0.233,75 0.722,76 14.666,77 5.393,78 40.945,79 6.762,80 0.516,81 0.661,82 15.801,83 5.405,84 77.981,85 7.244,86 0.14,87 0.519,88 12.068,89 4.389,90 27.612,91 5.989,92 0.23,93 0.434,94 10.827,95 3.247,96 36.54,97 3.958,98 0.25,99 0.369,100 9.167,101 2.693,102 36.415,103 3.113,104 16,105 25,106 0.284,107 0.629,108 0.818,109 0.875,110 0.887,111 0.887,112 2.959,113 0.942,114 -3.19,115 -3.19,116 -3.06,120 42.4,121 1,122 1,126 2,136 2,143 4,144 1,145 1,159 2,174 6,176 2,177 8,185 5,189 6,197 4,201 5,209 5,213 4,214 2,222 6,227 1,235 3,240 8,247 1,252 4,264 2,271 3,274 374,275 12.198,276 12.198,277 12.198,278 12.198,279 12.198,280 11.081,281 14.035,282 7.446,283 12.47,284 9.331,285 9.331,286 9.331,287 9.331,288 9.331,289 7.486,290 14.532,291 3.436,292 9.64,293 3.535,294 1.698,295 0.69,296 0.387,297 0.326,298 0.326,299 3.614,306 1,307 1,308 319,309 3.391,312 38.792,313 46.904,316 72.411,320 1.272,321 20.632,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39.5,333 154,334 4.392,335 3.696,336 6.679,337 4.098,338 3.134,339 3.921,340 1.674,341 10.751,342 3.02,343 3.849,344 3.557,345 5.627,346 3.45,347 2.452,348 3.174,349 1.2,350 7.263,351 2.437,352 3.596,353 3.017,354 5.028,355 3.241,356 2.26,357 2.796,358 0.293,359 6.039,360 2.192,361 2.958,362 1.991,363 4.473,364 2.545,365 1.548,366 2.124,368 4.197,369 1.543,370 2.891,371 1.814,372 3.969,373 2.5,374 1.511,375 2.006,377 3.442,378 1.488,379 2.471,380 1.671,381 3.564,382 2.082,383 1.134,384 1.362,386 2.599,387 1.069,388 2.187,389 1.202,390 3.207,391 1.964,392 1,393 1.104,395 1.852,396 0.951,397 2.027,398 1.089,399 3.013,400 1.553,401 0.557,402 0.714,404 1.215,405 0.552,406 1.698,407 0.67,408 2.524,409 1.282,410 0.243,411 0.357,413 0.503,414 0.249,415 0.681,416 0.299,417 2,418 0.399,419 -0.573,420 -0.643,422 -0.876,423 -0.549,424 0.613,425 -0.213,426 2,427 0.205,428 -0.798,429 -1.027,431 -1.904,432 -0.798,433 0.564,434 -0.635,435 1.913,436 0.122,437 -0.874,438 -1.166,440 -2.14,441 -0.863,442 0.34,443 -0.762,444 1.464,445 0.09,446 -1,447 -1.358,449 -2.431,450 -1.093,451 -0.102,452 -0.948,453 1.3,454 -0.405,455 -1.39,456 -1.74,458 -3.466,459 -1.358,460 -0.345,461 -1.151,462 1.25,463 -0.613,464 -1.578,465 -1.849,467 -4.235,468 -1.424,469 8.4,470 0.467,471 0.366,472 0.02,473 22.25,474 1.236,475 11,476 0.611,477 11.25,478 0.625,479 11.824,480 0.657,481 19.8,482 0.6,483 14.949,484 0.83,485 4.601,486 0.256,487 4.118,488 0.229,489 0.139,491 0.286,496 0.662,497 1.369,498 0.757,499 1.188,500 0.532,501 1.024,502 0.718,503 1.138,504 0.857,505 1.015,506 0.501,507 0.968,508 1.071,509 0.936,510 0.942,511 0.873,512 0.864,513 0.871,514 1.316,515 1.181,516 1.214,517 1.175,518 1.546,519 1.17,520 0.824,521 0.889,522 1.052,523 0.985,524 1.221,525 1.059,526 0.817,527 0.99,528 0.76,529 0.992,530 0.974,531 0.89,532 1.879,533 0.951,534 1.127,535 0.912,536 1.823,537 0.869,538 2.245,539 0.776,540 1.479,541 0.824,542 2.025,543 0.958,544 3,545 0.021,546 2.222,547 1.194,548 0.707,549 0.309,550 0.264,551 0.188,552 0.085,553 0.066,554 2696,555 7880,556 1.994,557 45.5,559 10,564 5,567 1.584,568 1.862,569 3.084,570 -0.763,572 1,573 1,574 1,575 49.804,576 1.509,577 3.346,578 4.355,579 4.658,580 4.718,581 4.718,582 2.51,583 3.948,584 4.138,585 3.191,586 488.261,587 7.014,588 4657.13,589 1,590 1,592 1,593 166.465,594 1.415,595 4.096,596 0.158,597 0.007,598 0.089,599 0.05,600 0.034,601 0.019,602 0.019,603 0.014,604 0.008,605 0.009,606 0.408,607 0.67,608 1,609 2.052,610 77.033,611 -0.013,612 -0.215,613 0.047,614 -0.109,615 -0.03,616 -0.036,617 0.162,618 -0.048,619 0.047,620 -0.021,621 0.121,622 -0.015,623 -0.131,624 0.079,625 0.017,626 0.092,627 -0.042,628 0.09,629 -0.215,630 -0.16,631 -0.269,632 -0.199,633 -0.203,634 -0.235,635 0.302,636 0.048,637 -0.049,638 -0.032,639 0.165,640 -0.105,641 0.036,642 -0.082,643 0.222,644 -0.016,645 -0.024,646 0.116,647 -0.29,648 -0.014,649 -0.056,650 -0.007,651 -0.23,652 0.018,653 -0.506,654 0.19,655 -0.409,656 0.078,657 -0.337,658 -0.102,659 2.154,660 4.948,661 0.5,662 12.84,663 1.008,664 1.122,665 1.964,666 3.857,667 0.658,668 2.996,669 3.258,670 3.497,671 3.714,672 3.807,673 3.784,674 3.807,675 3.807,676 3.555,677 3.434,678 5.01,679 0.632,680 245.3,681 2.996,682 4.489,683 5.313,684 6.168,685 7.018,686 7.884,687 8.748,688 9.62,689 10.49,690 11.366,691 3,698 1,709 4,714 2,716 6,738 33,739 9,740 1,741 19,743 34,744 14,745 6,746 2,747 4,748 4,752 2,753 3,759 1,763 1,766 1,768 10,769 4,772 3,778 2,780 2,782 2,786 1,789 15,790 4,792 4,797 1,803 0.5,804 3,822 1,823 1,826 1,839 1,841 1,845 2,855 1,859 1,862 18,869 3,872 1,875 1,886 9.1,889 2,891 1,893 9.667,894 6.2,895 4.167,896 2.124,898 1.699,899 1.279,900 0.937,901 4.029,902 7.776,903 3.258,904 3.726,905 4.216,906 4.643,907 5.066,908 5.089,909 5.342,910 5.565,911 5.479,912 5.609,913 0.833,914 24,915 6.657,917 2.741,918 7.981,919 12.495,921 9.776,924 2.481,925 44.667,926 0.001,929 176.567,930 92.754,931 3.124,933 61.29,936 92.754,937 237.856,938 3.124,939 8.825,940 12.357,941 56.857,942 62.186,943 16.942,945 176.567,947 176.567,948 95.878,949 61.29,952 117.711,953 120.145,956 21.182,957 55.743,958 18.952,960 176.567,961 64.414,962 92.754,965 176.567,966 27.071,967 68.807,969 61.29,970 176.567,971 64.414,972 92.754,973 0.56,974 0.327,975 0.176,976 0.086,977 11,978 5,979 0.118,980 4,981 1,982 1.222,983 3.065,984 119.94,985 0.222,986 9,987 75.059,993 12.685,994 5.718,995 2.933,997 64.414,998 7.789,1003 2.089,1006 333.734,1007 25,1013 23.076,1015 2.437,1017 -0.675,1020 33.269,1021 37.033,1022 0.299,1023 0.663,1024 0.863,1025 0.923,1026 0.935,1027 0.935,1028 4.46,1029 0.557,1030 5.273,1031 1.852,1032 3.932,1033 4.407,1034 2.25,1035 6.052,1036 3.88,1037 5.625,1038 0.243,1039 6.812,1040 1.215,1041 3.434,1042 4.06,1043 0.325,1044 6.952,1045 3.368,1046 6.901,1047 -0.573,1048 8.461,1049 0.503,1050 5.476,1051 6.446,1052 3.008,1053 10.059,1054 5.364,1055 8.216,1056 -0.798,1057 10.177,1058 -0.876,1059 5.861,1060 6.937,1061 0.653,1062 11.861,1063 5.715,1064 9.567,1065 -0.874,1066 11.938,1067 -1.904,1068 7.347,1069 8.784,1070 3.907,1071 14.481,1072 7.167,1073 10.942,1074 -1,1075 13.73,1076 -2.14,1077 8.141,1078 9.671,1079 1.001,1080 16.632,1081 7.916,1082 12.335,1083 -1.39,1084 15.546,1085 -2.431,1086 9.406,1087 11.286,1088 4.874,1089 19.096,1090 9.149,1091 3.134,1092 -1.578,1093 17.379,1094 -3.466,1095 10.39,1096 12.38,1097 1.37,1098 21.382,1099 10.085,1100 2.452,1101 10.751,1102 19.225,1103 -4.235,1104 11.57,1105 13.88,1106 5.875,1107 23.79,1108 11.232,1109 2.26,1110 7.263,1111 21.082,1112 3.921,1113 12.64,1114 15.089,1115 1.754,1116 26.129,1117 12.256,1118 1.548,1119 6.039,1120 22.947,1121 3.174,1122 13.79,1123 16.529,1124 6.892,1125 28.517,1126 13.371,1127 1.511,1128 4.197,1129 24.818,1130 2.796,1131 14.898,1132 17.803,1133 2.143,1134 30.877,1135 14.435,1136 1.134,1137 3.442,1138 26.694,1139 2.124,1140 16.04,1141 19.21,1142 7.916,1143 33.258,1144 15.539,1145 1,1146 2.599,1147 28.575,1148 2.006,1149 17.166,1150 20.522,1151 2.535,1152 35.626,1153 16.624,1154 2790,1155 4846,1156 12.425,1157 21.699,1158 28.456,1159 29.458,1160 29.015,1161 27.714,1162 27.679,1163 35.116,1164 6.334,1165 75.72,1166 27,1167 5.271,1168 5.696,1169 6.453,1170 5.122,1171 5.134,1172 6.921,1173 3.349,1174 17.8,1175 5.02,1176 8.784,1177 1.498,1178 1.55,1179 1.527,1180 1.459,1181 1.457,1182 1.848,1183 0.333,1184 3.985,1185 1.421,1186 4.012,1187 4.047,1188 3.955,1189 3.924,1190 7.438,1191 3.926,1192 3.701,1193 3.715,1194 3.64,1195 3.539,1196 7.424,1197 3.558,1198 3.49,1199 3.545,1200 3.371,1201 3.288,1202 4.755,1203 3.291,1204 3.357,1205 3.425,1206 3.183,1207 3.212,1208 4.489,1209 3.194,1210 3.09,1211 3.107,1212 2.983,1213 2.849,1214 4.133,1215 2.878,1216 2.841,1217 2.892,1218 2.708,1219 2.657,1220 3.976,1221 2.675,1222 2.549,1223 2.626,1224 2.375,1225 2.421,1226 3.671,1227 2.4,1228 2.532,1229 2.609,1230 2.357,1231 2.195,1232 3.583,1233 2.223,1234 0.231,1235 0.195,1236 0.352,1237 0.216,1238 0.165,1239 4.392,1240 0.206,1241 3.696,1242 0.088,1243 6.679,1244 0.566,1245 4.098,1246 0.159,1247 3.134,1248 3.921,1249 1.674,1250 10.751,1251 3.02,1252 1.887,1253 1.861,1254 2,1255 1.97,1256 1.174,1257 1.978,1258 1.654,1259 1.629,1260 1.827,1261 1.854,1262 0.998,1263 1.84,1264 1.488,1265 1.425,1266 1.77,1267 1.738,1268 0.94,1269 1.748,1270 1.388,1271 1.32,1272 1.64,1273 1.577,1274 0.681,1275 1.603,1276 1.019,1277 0.987,1278 1.194,1279 1.277,1280 0.332,1281 1.244,1282 0.803,1283 0.745,1284 1.107,1285 1.017,1286 0.175,1287 1.032,1288 0.724,1289 0.689,1290 1.025,1291 0.982,1292 0.115,1293 1.013,1294 0.423,1295 0.322,1296 0.811,1297 0.793,1299 0.818,1300 3.664,1302 4.934,1303 2.398,1304 6.402,1305 4.727,1306 7.964,1307 6.843,1308 9.579,1310 1.726,1315 1.824,1318 4.728,1321 1.672,1326 20.853,1327 49.804,1328 110.426,1329 143.71,1330 153.71,1331 155.71,1332 155.71,1333 30.809,1334 6.078,1335 46.61,1336 46.61,1337 11,1338 11.907,1339 3.322,1340 2.807,1341 31.122,1342 53,1343 60,1344 0.294,1345 131.495,1346 236.67,1347 312.608,1348 2824,1350 12.958,1351 0.72,1352 0.57,1353 12.958,1354 10.257,1355 8.72,1356 0.459,1357 0.314,1358 5.876,1359 8.336,1360 5.741,1361 4.76,1362 8.72,1363 5.963,1364 7.398,1365 0.296,1366 0.158,1367 7.398,1368 3.954,1369 6.016,1370 0.188,1371 0.088,1372 6.016,1373 2.802,1374 4.884,1375 0.122,1376 0.05,1377 4.884,1378 1.987,1379 3.519,1380 0.08,1381 0.027,1382 3.519,1383 1.18,1384 0.456,1385 54.918,1386 0.284,1387 18.245,1388 0.813,1389 88,1390 302.852,1391 98.829,1392 282.941,1393 375.4,1394 264,1395 101,1396 264.248,1397 110.476,1398 262.458,1399 383.15,1400 248,1401 4.608}
{0 CHEMBL1516786,1 1.63,2 12.118,3 5.322,4 28.327,5 133.471,6 8.474,7 0.486,8 4.124,9 4.205,10 3.918,11 3.771,12 5.312,13 3.734,14 4.624,15 4.747,16 4.245,17 4.147,18 6.062,19 4.108,20 4.849,21 4.98,22 4.411,23 4.327,24 6.128,25 4.264,26 5.03,27 5.189,28 4.425,29 4.34,30 6.376,31 4.272,32 5.047,33 5.21,34 4.292,35 4.259,36 6.413,37 4.193,38 4.936,39 5.146,40 4.265,41 4.205,42 6.18,43 4.13,44 4.85,45 4.986,46 4.208,47 4.212,48 6.309,49 4.166,50 4.841,51 5.004,52 4.182,53 4.256,54 6.039,55 4.175,56 0.125,57 0.75,58 11.581,59 5.472,60 22.711,61 5.827,62 0.416,63 1.193,64 17.885,65 8.835,66 83.399,67 10.419,68 0.27,69 1.532,70 23.228,71 11.318,72 37.095,73 12.603,74 0.511,75 1.82,76 40.638,77 15.013,78 84.47,79 15.528,80 0.89,81 1.778,82 35.226,83 12.694,84 160.926,85 12.585,86 0.667,87 1.625,88 39.643,89 13.745,90 97.94,91 16.009,92 0.748,93 1.426,94 25.604,95 10.536,96 156.976,97 10.945,98 0.254,99 1.465,100 25.399,101 11.791,102 44.676,103 14.019,104 66,105 55,106 0.263,107 0.596,108 0.692,109 0.773,110 0.819,111 0.825,112 3.561,113 0.965,114 -4.95,115 -4.86,116 -4.55,120 46.4,121 3,136 1,139 1,143 10,144 6,145 2,158 2,159 1,168 1,172 1,174 17,175 1,176 3,177 4,180 1,182 4,185 19,186 2,189 13,192 1,194 5,197 15,198 2,201 22,204 1,206 5,209 9,213 1,214 11,219 2,220 1,222 9,227 11,230 3,231 1,232 1,235 19,239 2,240 5,245 2,247 23,248 1,252 8,253 1,257 5,260 22,261 1,263 1,264 9,265 1,267 1,269 2,271 16,272 2,274 2160,275 22.04,276 22.04,277 22.04,278 22.04,279 22.04,280 18.918,281 21.109,282 12.55,283 22.222,284 18.221,285 18.221,286 18.221,287 18.221,288 18.221,289 13.335,290 26.097,291 5.922,292 18.548,293 4.177,294 2.108,295 1.509,296 1.009,297 0.719,298 0.683,299 4.247,307 1,308 875,309 4.062,313 395.978,317 157.429,320 1.785,321 55.074,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 74,333 412,334 4.953,335 4.734,336 7.508,337 4.427,338 3.497,339 4.841,340 1.437,341 13.346,342 3.264,343 4.547,344 3.656,345 6.784,346 4.188,347 3.19,348 4.16,349 0.4,350 11.111,351 3.149,352 4.169,353 3.576,354 5.994,355 3.785,356 2.789,357 3.761,359 8.431,360 2.769,361 4.095,362 2.96,363 5.928,364 3.637,365 2.642,366 3.727,368 8.215,369 2.622,370 3.854,371 2.776,372 5.824,373 3.479,374 2.499,375 3.224,377 7.899,378 2.444,379 3.617,380 2.697,381 5.439,382 3.229,383 2.229,384 2.928,386 6.907,387 2.216,388 3.543,389 2.259,390 5.157,391 3.056,392 2.069,393 2.859,395 6.187,396 2.038,397 3.288,398 2.147,399 4.935,400 2.882,401 1.882,402 2.546,404 5.468,405 1.882,406 3.232,407 2.123,408 4.879,409 2.879,410 1.879,411 2.481,413 5.225,414 1.879,415 2.933,416 1.952,417 4.051,418 2.442,419 1.445,420 2.084,422 3.265,423 1.437,424 2.76,425 1.649,426 3.786,427 2.244,428 1.242,429 1.762,431 2.916,432 1.226,433 2.56,434 1.331,435 3.675,436 2.032,437 1.038,438 1.534,440 2.681,441 1.03,442 2.5,443 1.204,444 3.536,445 2,446 1,447 1.5,449 2.275,450 1,451 2.322,452 1,453 3.414,454 1.657,455 0.626,456 0.962,458 1.623,459 0.637,460 1.409,461 0.823,462 3.367,463 1.063,464 0.109,465 0.129,467 0.312,468 0.102,469 16.3,470 0.479,471 1.195,472 0.035,473 48,474 1.412,475 27.5,476 0.809,477 20.5,478 0.603,479 28.372,480 0.834,481 35.3,482 0.63,483 43.386,484 1.276,485 9.559,486 0.281,487 6.504,488 0.191,489 0.194,490 0.051,491 0.368,496 0.568,497 1.081,498 0.783,499 1.075,500 0.68,501 0.854,502 0.432,503 0.978,504 0.624,505 0.83,506 0.444,507 0.808,508 0.75,509 1.221,510 0.91,511 1.091,512 0.72,513 1.05,514 1.126,515 1.267,516 1.415,517 1.357,518 1.031,519 1.051,520 1.713,521 1.014,522 1.294,523 0.965,524 1.746,525 1.069,526 0.763,527 0.824,528 1.005,529 0.943,530 0.828,531 0.719,532 1.337,533 0.853,534 1.066,535 0.825,536 1.351,537 0.948,538 0.648,539 1.144,540 0.941,541 1.126,542 0.618,543 1.115,544 9,545 0.297,546 4.889,547 4.188,548 2.404,549 1.736,550 1.034,551 0.828,552 0.591,553 0.472,554 15175,555 47626,556 2.001,557 39.3,558 9,559 11,562 2,567 1.765,568 1.813,569 3.506,570 0.177,575 91.283,576 1.63,577 3.699,578 4.298,579 4.798,580 5.088,581 5.124,582 3.033,583 4.477,584 5.056,585 3.701,586 2076.49,587 8.897,588 30784.1,593 325.212,594 1.701,595 4.979,596 0.243,597 0.009,598 0.089,599 0.07,600 0.04,601 0.035,602 0.02,603 0.016,604 0.012,605 0.011,606 0.545,607 0.17,608 0.88,609 0.79,610 180.009,611 0.03,612 -0.013,613 0.163,614 -0.007,615 -0.139,616 0.056,617 0.289,618 0.045,619 0.183,620 0.11,621 0.255,622 0.114,623 -0.01,624 -0.168,625 0.02,626 -0.092,627 -0.015,628 -0.123,629 -0.095,630 -0.204,631 -0.129,632 -0.194,633 0.004,634 -0.068,635 -0.347,636 0.03,637 -0.26,638 -0.002,639 -0.332,640 -0.167,641 0.137,642 0.197,643 0.212,644 0.166,645 0.079,646 0.329,647 -0.152,648 0.15,649 -0.208,650 0.088,651 -0.096,652 -0.055,653 -0.008,654 -0.167,655 -0.071,656 -0.156,657 0.013,658 -0.129,659 4.987,660 6.333,661 0.647,662 34.388,663 1.013,664 1.109,665 3.722,666 13.851,667 0.706,668 3.638,669 4.025,670 4.29,671 4.585,672 4.771,673 4.913,674 4.984,675 5.153,676 5.273,677 5.347,678 7.066,679 0.68,680 474.57,681 3.638,682 5.22,683 6.084,684 6.997,685 7.876,686 8.793,687 9.678,688 10.598,689 11.488,690 12.41,691 3.6,696 1,700 1,709 10,714 8,716 18,721 1,725 1,729 1,738 56,739 24,740 3,741 37,743 59,744 26,745 18,746 8,747 10,748 5,752 4,753 5,759 3,768 23,769 3,772 6,776 1,778 4,780 1,781 1,782 4,789 22,790 7,791 2,792 8,793 1,797 2,803 0.75,804 5,823 4,827 1,845 2,853 1,855 3,857 1,859 3,862 34,865 1,868 1,871 1,886 8.9,888 1,889 4,893 18.75,894 11.15,895 7.236,896 3.182,898 3.941,899 1.493,900 0.988,901 6.16,902 11.928,903 3.97,904 4.64,905 5.211,906 5.791,907 6.305,908 6.626,909 6.951,910 7.321,911 7.713,912 8.056,913 1,914 60,915 12.981,917 6.023,918 8.1,919 23.369,921 19.446,924 2.6,925 88.417,929 235.422,930 171.5,931 33.191,933 137.286,935 5.807,936 165.692,937 372.708,938 33.191,939 26.476,941 110.046,942 166.854,943 38.601,945 235.422,947 235.422,948 198.883,949 137.286,950 5.807,952 235.422,953 137.286,956 41.655,957 126.984,958 36.051,960 235.422,961 170.477,962 171.5,964 5.807,965 235.422,966 34.978,967 130.714,968 18.011,969 152.466,970 235.422,971 170.477,972 171.5,973 0.601,974 0.351,975 0.19,976 0.095,977 27,978 14,979 0.085,980 5,981 1,982 1.091,983 4.208,984 331.029,985 0.091,986 22,987 160.974,992 1,993 23.469,994 8.924,995 4.691,997 170.477,998 16.161,1003 3.632,1005 60.694,1006 577.398,1007 52,1011 -4.071,1013 50.853,1015 1.409,1016 4.137,1017 -1.112,1020 56.753,1021 62.116,1022 0.281,1023 0.637,1024 0.74,1025 0.826,1026 0.876,1027 0.882,1028 5.239,1029 1.882,1030 6.133,1031 6.187,1032 4.71,1033 5.328,1034 1.695,1035 7.026,1036 4.672,1037 6.514,1038 1.879,1039 7.754,1040 5.468,1041 4.575,1042 5.434,1044 8.231,1045 4.488,1046 7.88,1047 1.445,1048 9.483,1049 5.225,1050 6.422,1051 7.655,1052 2.259,1053 11.321,1054 6.321,1055 9.284,1056 1.242,1057 11.276,1058 3.265,1059 7.048,1060 8.536,1062 13.352,1063 6.879,1064 10.72,1065 1.038,1066 13.112,1067 2.916,1068 8.458,1069 10.31,1070 2.923,1071 16.056,1072 8.267,1073 12.18,1074 1,1075 14.98,1076 2.681,1077 9.418,1078 11.545,1080 18.419,1081 9.152,1082 13.661,1083 0.626,1084 16.872,1085 2.275,1086 10.684,1087 13.164,1088 3.619,1089 21.021,1090 10.381,1091 3.497,1092 0.109,1093 18.784,1094 1.623,1095 11.791,1096 14.567,1098 23.514,1099 11.415,1100 3.19,1101 13.346,1102 20.712,1103 0.312,1104 13.015,1105 16.133,1106 4.33,1107 26.091,1108 12.589,1109 2.789,1110 11.111,1111 22.654,1112 4.841,1113 14.187,1114 17.617,1116 28.636,1117 13.69,1118 2.642,1119 8.431,1120 24.606,1121 4.16,1122 15.405,1123 19.17,1124 5.047,1125 31.211,1126 14.849,1127 2.499,1128 8.215,1129 26.569,1130 3.761,1131 16.607,1132 20.694,1134 33.777,1135 15.981,1136 2.229,1137 7.899,1138 28.539,1139 3.727,1140 17.828,1141 22.248,1142 5.769,1143 36.355,1144 17.138,1145 2.069,1146 6.907,1147 30.516,1148 3.224,1149 19.046,1150 23.792,1152 38.931,1153 18.287,1154 14733,1155 26309,1156 23.581,1157 39.546,1158 57.403,1159 60.057,1160 59.364,1161 56.327,1162 56.277,1163 76.996,1164 3.673,1165 171.718,1166 55.39,1167 5.835,1168 6.734,1169 7.186,1170 5.492,1171 5.497,1172 7.841,1173 2.873,1174 21.305,1175 5.264,1176 21.882,1177 1.551,1178 1.623,1179 1.604,1180 1.522,1181 1.521,1182 2.081,1183 0.099,1184 4.641,1185 1.497,1186 4.134,1187 4.126,1188 4.742,1189 4.116,1190 7.719,1191 4.055,1192 3.984,1193 3.997,1194 3.974,1195 3.932,1196 7.475,1197 3.925,1198 3.904,1199 3.925,1200 3.854,1201 3.839,1202 7.427,1203 3.839,1204 3.679,1205 3.664,1206 3.778,1207 3.616,1208 6.999,1209 3.542,1210 3.514,1211 3.532,1212 3.464,1213 3.398,1214 6.351,1215 3.394,1216 3.271,1217 3.35,1218 3.226,1219 3.125,1220 4.814,1221 3.101,1222 3.266,1223 3.302,1224 3.067,1225 3.058,1226 4.702,1227 3.077,1228 3.209,1229 3.249,1230 3.036,1231 3.017,1232 4.681,1233 3.02,1234 0.134,1235 0.128,1236 0.203,1237 0.12,1238 0.095,1239 4.953,1240 0.131,1241 4.734,1242 0.039,1243 7.508,1244 0.361,1245 4.427,1246 0.088,1247 3.497,1248 4.841,1249 1.437,1250 13.346,1251 3.264,1252 2.031,1253 2.032,1254 2.07,1255 2.099,1256 1.288,1257 2.117,1258 1.965,1259 1.95,1260 2.052,1261 2.037,1262 1.179,1263 2.049,1264 1.891,1265 1.87,1266 1.991,1267 1.977,1268 1.081,1269 1.982,1270 1.554,1271 1.558,1272 1.639,1273 1.683,1274 0.771,1275 1.714,1276 1.433,1277 1.429,1278 1.639,1279 1.593,1280 0.719,1281 1.604,1282 1.303,1283 1.226,1284 1.622,1285 1.507,1286 0.693,1287 1.557,1288 1.216,1289 1.153,1290 1.259,1291 1.454,1292 0.486,1293 1.489,1294 1.106,1295 1.105,1296 1.228,1297 1.391,1298 0.279,1299 1.335,1300 4.317,1302 5.687,1304 7.249,1306 8.905,1308 10.61,1310 5.36,1314 9.081,1317 2.966,1326 38.072,1327 91.283,1328 207.145,1329 240.708,1330 268.683,1331 284.947,1332 286.947,1333 94.633,1334 7.987,1335 112.9,1336 121.28,1337 24,1338 12.923,1339 4.644,1340 4,1341 56.639,1342 140,1343 164,1344 0.193,1345 237.242,1346 426.36,1347 570.631,1348 33212,1350 24.621,1351 0.724,1352 0.577,1353 24.871,1354 19.603,1355 16.063,1356 0.434,1357 0.322,1358 10.481,1359 14.891,1360 9.971,1361 8.342,1362 16.885,1363 11.896,1364 15.737,1365 0.286,1366 0.176,1367 17,1368 9.661,1369 12.44,1370 0.173,1371 0.098,1372 13.57,1373 7.062,1374 11.19,1375 0.115,1376 0.057,1377 12.552,1378 5.531,1379 7.932,1380 0.068,1381 0.028,1382 8.865,1383 3.259,1384 0.3,1385 108.113,1386 0.206,1387 31.022,1388 0.543,1389 184,1390 583.93,1391 235.494,1392 590.186,1393 791.92,1394 540,1395 219,1396 547.59,1397 281.437,1398 599.137,1399 875.43,1400 559,1401 5.172}
{0 CHEMBL1516865,1 1.476,2 11.313,3 3.711,4 13.768,5 123.024,6 7.416,7 0.353,8 4.162,9 4.257,10 3.716,11 3.656,12 5.325,13 3.652,14 4.688,15 4.852,16 4.052,17 4.003,18 5.8,19 3.994,20 4.776,21 4.893,22 4.22,23 4.182,24 5.973,25 4.164,26 5.032,27 5.196,28 4.257,29 4.264,30 6.212,31 4.223,32 5.116,33 5.294,34 4.224,35 4.28,36 6.338,37 4.237,38 5.071,39 5.245,40 4.149,41 4.292,42 6.208,43 4.22,44 5.148,45 5.389,46 4.152,47 4.224,48 6.238,49 4.145,50 4.993,51 5.195,52 4.16,53 4.131,54 6.194,55 4.079,56 0.053,57 0.76,58 11.946,59 5.78,60 8.802,61 6.997,62 0.563,63 1.179,64 24.087,65 8.826,66 42.337,67 11.016,68 0.37,69 1.366,70 23.554,71 10.321,72 25.037,73 12.725,74 0.573,75 1.647,76 33.23,77 12.782,78 58.954,79 16.235,80 0.992,81 1.695,82 38.707,83 13.293,84 119.476,85 16.483,86 0.525,87 1.714,88 34.862,89 13.38,90 63.993,91 16.972,92 0.855,93 1.735,94 41.439,95 14.3,96 95.293,97 19.554,98 0.888,99 1.498,100 34.114,101 12.371,102 80.482,103 16.458,104 82,105 48,106 0.24,107 0.542,108 0.679,109 0.738,110 0.784,111 0.806,112 3.503,113 0.885,114 -3.89,115 -3.85,116 -3.65,120 42.4,121 2,125 4,126 1,136 1,137 2,139 1,143 6,144 3,145 3,159 2,174 12,176 2,177 9,185 14,188 2,189 11,197 9,200 3,201 15,209 7,213 2,214 12,222 8,227 12,235 11,239 4,240 6,247 9,251 6,252 7,260 10,263 2,264 5,271 6,274 1866,275 21.48,276 21.48,277 21.48,278 21.48,279 21.48,280 19.339,281 26.773,282 12.259,283 22.226,284 16.444,285 16.444,286 16.444,287 16.444,288 16.444,289 12.851,290 29.405,291 5.415,292 17.198,293 4.407,294 2.548,295 1.708,296 1.344,297 1.064,298 0.924,299 4.178,306 1,307 1,308 749,309 3.808,312 98.429,313 232.509,320 1.832,321 38.227,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 70.5,333 362,334 4.675,335 3.894,336 7.076,337 4.337,338 3.356,339 4.196,340 1.674,341 12.122,342 3.291,343 4.416,344 3.557,345 6.523,346 4.003,347 3.056,348 4.059,349 1.259,350 10.258,351 2.89,352 4.019,353 3.366,354 5.975,355 3.635,356 2.644,357 3.614,358 0.86,359 8.238,360 2.622,361 3.767,362 2.856,363 5.651,364 3.385,365 2.399,366 3.087,367 0.86,368 7.343,369 2.35,370 3.646,371 2.643,372 5.365,373 3.304,374 2.327,375 2.882,376 0.86,377 6.913,378 2.261,379 3.398,380 2.555,381 5.19,382 3.05,383 2.061,384 2.674,385 0.577,386 6.118,387 2.044,388 3.355,389 2.453,390 5.19,391 2.972,392 2.051,393 2.604,394 0.359,395 6.048,396 1.867,397 3.218,398 2.333,399 4.878,400 2.842,401 1.856,402 2.327,404 5.57,405 1.82,406 2.923,407 2.008,408 4.584,409 2.455,410 1.487,411 1.922,413 4.066,414 1.421,415 2.5,416 1.833,417 3.806,418 2,419 1.145,420 1.5,422 2.418,423 1,424 2.21,425 1.461,426 3.414,427 1.973,428 1,429 1.187,431 2.275,432 0.943,433 1.998,434 1.266,435 3.356,436 1.51,437 0.506,438 0.663,440 1.26,441 0.501,442 1.576,443 1.004,444 3.169,445 1.287,446 0.396,447 0.452,449 0.666,450 0.346,451 1.512,452 1,453 2.859,454 1.27,455 0.392,456 0.419,458 0.603,459 0.342,460 1.424,461 0.916,462 2.653,463 1.155,464 0.297,465 0.325,467 0.387,468 0.253,469 14.9,470 0.466,471 0.836,472 0.026,473 39.75,474 1.242,475 19.5,476 0.609,477 20.25,478 0.633,479 29.404,480 0.919,481 35.5,482 0.602,483 36.365,484 1.136,485 8.624,486 0.269,487 6.713,488 0.21,489 0.246,491 0.396,496 0.781,497 1.369,498 0.771,499 1.246,500 0.607,501 1.046,502 1.137,503 0.744,504 0.778,505 0.638,506 0.697,507 0.627,508 0.79,509 1.281,510 0.893,511 1.211,512 0.833,513 1.092,514 0.974,515 1.227,516 0.998,517 1.205,518 1.233,519 1.122,520 1.406,521 0.901,522 1.118,523 0.862,524 1.326,525 0.916,526 1.126,527 1.234,528 1.204,529 1.231,530 1.293,531 1.23,532 0.783,533 0.856,534 0.77,535 0.867,536 1.097,537 0.823,538 0.663,539 1.009,540 0.746,541 1,542 0.817,543 0.913,544 7,545 0.194,546 4,547 3.611,548 2.647,549 1.546,550 0.872,551 0.941,552 0.63,553 0.333,554 12011,555 34439,556 1.958,557 45.8,558 3,559 21,564 3,567 1.752,568 1.778,569 3.436,570 -0.774,572 1,575 87.088,576 1.476,577 3.334,578 4.174,579 4.539,580 4.818,581 4.958,582 2.951,583 4.563,584 4.969,585 3.605,586 1787.9,587 8.732,588 25472.7,590 1,593 347.076,594 1.561,595 4.895,596 0.206,597 0.007,598 0.083,599 0.066,600 0.049,601 0.029,602 0.018,603 0.02,604 0.013,605 0.009,606 0.5,607 0.33,608 1,609 1.188,610 165.887,611 -0.019,612 -0.214,613 0.061,614 -0.143,615 -0.047,616 -0.045,617 -0.044,618 0.321,619 0.187,620 0.364,621 0.034,622 0.331,623 0.085,624 -0.152,625 -0.019,626 -0.148,627 0.012,628 -0.111,629 0.025,630 -0.178,631 -0.054,632 -0.198,633 -0.042,634 -0.154,635 -0.147,636 0.095,637 -0.108,638 0.112,639 0.003,640 0.027,641 -0.165,642 -0.192,643 -0.263,644 -0.225,645 -0.144,646 -0.257,647 0.142,648 0.097,649 0.235,650 0.097,651 0.06,652 0.172,653 0.34,654 -0.037,655 0.242,656 -0.012,657 0.253,658 0.075,659 2.235,660 6.375,661 0.531,662 32.25,663 1.009,664 1.121,665 2.664,666 7.096,667 0.655,668 3.555,669 3.892,670 4.205,671 4.477,672 4.682,673 4.718,674 4.844,675 5.004,676 5.112,677 5.153,678 6.689,679 0.63,680 437.53,681 3.555,682 5.106,683 5.974,684 6.87,685 7.76,686 8.663,687 9.562,688 10.469,689 11.373,690 12.284,691 1.7,698 1,709 6,714 6,716 12,735 3,738 59,739 16,740 2,741 34,743 61,744 25,745 12,746 6,747 6,748 6,752 3,753 3,759 2,768 18,769 7,772 4,778 2,780 1,782 5,786 1,789 27,790 7,792 7,797 1,803 1,804 6,822 1,823 2,839 1,841 1,845 2,846 2,855 3,859 6,862 32,869 1,872 4,875 1,886 10.2,889 2,891 4,893 18,894 12.783,895 7.389,896 3.172,898 2.922,899 1.39,900 0.935,901 7.515,902 10.418,903 3.807,904 4.394,905 4.98,906 5.505,907 5.999,908 6.222,909 6.584,910 7.011,911 7.393,912 7.643,913 0.875,914 55,915 11.853,917 4.913,918 7.87,919 22.131,921 17.231,924 2.37,925 75.833,928 1,929 317.82,930 175.933,931 3.124,933 94.289,936 175.933,937 412.109,938 3.124,939 61.183,940 5.23,941 66.334,942 64.943,943 75.658,945 317.82,947 317.82,948 179.057,949 94.289,952 282.506,953 129.603,956 22.88,957 143.944,958 12.233,960 317.82,961 97.414,962 175.933,965 317.82,966 48.417,967 130.641,969 94.289,970 317.82,971 97.414,972 175.933,973 0.577,974 0.365,975 0.202,976 0.111,977 21,978 12,979 0.131,980 8,982 1,983 4.009,984 294.683,986 17,987 148,993 23.735,994 10.131,995 4.806,997 97.414,998 11.345,1003 4.042,1006 591.166,1007 44,1013 25.966,1015 1.637,1017 0.174,1020 59.552,1021 66.152,1022 0.251,1023 0.567,1024 0.71,1025 0.772,1026 0.819,1027 0.843,1028 5.063,1029 1.856,1030 5.984,1031 6.048,1032 4.575,1033 5.081,1034 2.709,1035 6.849,1036 4.503,1037 6.289,1038 1.487,1039 7.585,1040 5.57,1041 4.29,1042 4.997,1043 0.325,1044 7.879,1045 4.211,1046 7.621,1047 1.145,1048 9.285,1049 4.066,1050 6.225,1051 7.276,1052 3.2,1053 11.005,1054 6.101,1055 8.989,1056 1,1057 11.042,1058 2.418,1059 6.746,1060 7.961,1061 0.82,1062 12.863,1063 6.602,1064 10.387,1065 0.506,1066 12.835,1067 2.275,1068 8.177,1069 9.749,1070 3.982,1071 15.544,1072 8.005,1073 11.807,1074 0.396,1075 14.655,1076 1.26,1077 9.064,1078 10.789,1079 1.329,1080 17.763,1081 8.864,1082 13.245,1083 0.392,1084 16.495,1085 0.666,1086 10.32,1087 12.379,1088 4.907,1089 20.3,1090 10.098,1091 3.356,1092 0.297,1093 18.352,1094 0.603,1095 11.374,1096 13.598,1097 1.834,1098 22.673,1099 11.124,1100 3.056,1101 12.122,1102 20.223,1103 0.387,1104 12.573,1105 15.098,1106 5.891,1107 25.166,1108 12.303,1109 2.644,1110 10.258,1111 22.105,1112 4.196,1113 13.701,1114 16.41,1115 2.335,1116 27.602,1117 13.406,1118 2.399,1119 8.238,1120 23.998,1121 4.059,1122 14.886,1123 17.866,1124 6.901,1125 30.085,1126 14.572,1127 2.327,1128 7.343,1129 25.899,1130 3.614,1131 16.048,1132 19.227,1133 2.832,1134 32.548,1135 15.712,1136 2.061,1137 6.913,1138 27.807,1139 3.087,1140 17.233,1141 20.663,1142 7.921,1143 35.03,1144 16.878,1145 2.051,1146 6.118,1147 29.721,1148 2.882,1149 18.411,1150 22.051,1151 3.324,1152 37.506,1153 18.037,1154 12058,1155 20574,1156 21.501,1157 38.631,1158 50.563,1159 53.293,1160 55.012,1161 49.701,1162 49.947,1163 63.82,1164 12.899,1165 148.569,1166 47.902,1167 5.6,1168 5.894,1169 6.619,1170 5.347,1171 5.356,1172 7.196,1173 3.349,1174 19.559,1175 5.291,1176 21.055,1177 1.487,1178 1.567,1179 1.618,1180 1.462,1181 1.469,1182 1.877,1183 0.379,1184 4.37,1185 1.409,1186 4.041,1187 4.06,1188 4.005,1189 3.952,1190 7.436,1191 3.96,1192 3.919,1193 3.939,1194 3.864,1195 3.857,1196 7.424,1197 3.854,1198 3.826,1199 3.84,1200 3.786,1201 3.711,1202 4.98,1203 3.728,1204 3.409,1205 3.433,1206 3.333,1207 3.174,1208 4.744,1209 3.176,1210 3.326,1211 3.378,1212 3.204,1213 3.144,1214 4.58,1215 3.165,1216 3.303,1217 3.355,1218 3.144,1219 3.006,1220 4.552,1221 3.026,1222 3.232,1223 3.307,1224 3.049,1225 3.002,1226 4.468,1227 3.015,1228 3.206,1229 3.284,1230 2.984,1231 2.913,1232 4.39,1233 2.915,1234 0.137,1235 0.115,1236 0.208,1237 0.128,1238 0.099,1239 4.675,1240 0.123,1241 3.894,1242 0.049,1243 7.076,1244 0.357,1245 4.337,1246 0.097,1247 3.356,1248 4.196,1249 1.674,1250 12.122,1251 3.291,1252 1.935,1253 1.907,1254 2.06,1255 2.021,1256 1.203,1257 2.035,1258 1.911,1259 1.902,1260 1.981,1261 2.011,1262 1.126,1263 1.999,1264 1.66,1265 1.645,1266 1.799,1267 1.816,1268 0.95,1269 1.804,1270 1.488,1271 1.453,1272 1.654,1273 1.699,1274 0.801,1275 1.678,1276 1.267,1277 1.214,1278 1.59,1279 1.559,1280 0.63,1281 1.565,1282 1.227,1283 1.163,1284 1.587,1285 1.558,1286 0.584,1287 1.564,1288 1.22,1289 1.149,1290 1.576,1291 1.507,1292 0.58,1293 1.527,1294 1.173,1295 1.094,1296 1.564,1297 1.462,1298 0.569,1299 1.504,1300 4.234,1302 5.565,1303 2.398,1304 7.098,1305 4.949,1306 8.723,1307 7.195,1308 10.398,1310 9.596,1315 0.345,1318 21.144,1321 1.584,1326 37.159,1327 87.088,1328 196.721,1329 246.282,1330 267.792,1331 284.282,1332 292.547,1333 79.119,1334 7.496,1335 75.99,1336 75.99,1337 17,1338 12.8,1339 4.087,1340 3.459,1341 60.779,1342 124,1343 149,1344 0.235,1345 229.897,1346 419.52,1347 552.708,1348 16416,1350 23.413,1351 0.732,1352 0.598,1353 23.413,1354 19.145,1355 15.336,1356 0.451,1357 0.295,1358 9.808,1359 14.505,1360 9.324,1361 7.884,1362 15.336,1363 10.028,1364 13.352,1365 0.278,1366 0.153,1367 13.352,1368 7.346,1369 11.778,1370 0.178,1371 0.081,1372 11.778,1373 5.36,1374 9.655,1375 0.111,1376 0.042,1377 9.655,1378 3.646,1379 7.844,1380 0.073,1381 0.024,1382 7.844,1383 2.538,1384 0.362,1385 98.172,1386 0.216,1387 29.439,1388 0.669,1389 164,1390 564.058,1391 182.801,1392 522.644,1393 701.71,1394 490,1395 196,1396 496.976,1397 215.83,1398 508.541,1399 741.07,1400 468,1401 4.936}
{0 CHEMBL1517551,1 1.342,2 10.208,3 4.174,4 17.422,5 99.294,6 6.923,7 0.63,8 3.918,9 4.039,10 3.441,11 3.508,12 4.939,13 3.465,14 4.457,15 4.636,16 3.776,17 3.911,18 5.392,19 3.845,20 4.748,21 4.966,22 3.84,23 4.087,24 5.609,25 3.979,26 4.832,27 5.07,28 3.727,29 4.076,30 5.666,31 3.928,32 4.841,33 5.112,34 3.664,35 4.005,36 5.636,37 3.853,38 4.742,39 4.996,40 3.518,41 3.893,42 5.591,43 3.74,44 4.631,45 4.906,46 3.273,47 3.743,48 5.413,49 3.556,50 4.402,51 4.71,52 3.052,53 3.504,54 5.08,55 3.314,56 0.051,57 0.635,58 10.16,59 4.349,60 8.3,61 5.915,62 0.139,63 1.094,64 18.412,65 6.946,66 14.468,67 9.821,68 0.215,69 1.392,70 25.482,71 9.925,72 20.351,73 13.959,74 0.237,75 1.439,76 28.199,77 11.396,78 28.686,79 16.002,80 0.206,81 1.442,82 29.13,83 11.221,84 28.461,85 16.035,86 0.243,87 1.284,88 26.508,89 9.98,90 33.241,91 13.898,92 0.258,93 1.138,94 23.937,95 9.131,96 31.046,97 12.964,98 0.13,99 0.912,100 19.057,101 7.375,102 17.082,103 10.792,104 2,105 37,106 0.23,107 0.501,108 0.624,109 0.772,110 0.826,111 0.833,112 3.229,113 0.948,114 -4.56,115 -4.49,116 -4.22,120 45.7,126 5,143 11,144 3,145 2,174 13,177 3,182 2,185 16,188 1,189 3,194 2,197 12,201 4,204 1,206 2,209 4,214 6,219 2,222 1,227 4,232 1,240 4,243 1,247 2,252 3,260 4,264 1,269 2,271 9,274 752,275 16.706,276 16.706,277 16.706,278 16.706,279 16.706,280 14.64,281 16.488,282 10.025,283 16.96,284 13.353,285 13.353,286 13.353,287 13.353,288 13.353,289 10.39,290 24.211,291 4.775,292 13.781,293 4.181,294 2.594,295 1.879,296 1.008,297 0.696,298 0.652,299 3.933,306 1,307 1,308 545,309 2.121,313 266.117,317 103.166,320 1.608,321 12.145,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 50,333 245,334 4.566,335 3.305,336 6.679,337 4.123,338 3.134,339 4.496,340 0.916,341 10.768,342 3.1,343 4.081,344 3.118,345 6.142,346 3.805,347 2.864,348 3.55,349 0.8,350 9.054,351 2.697,352 3.761,353 2.712,354 5.651,355 3.413,356 2.459,357 3.225,358 0.172,359 7.483,360 2.35,361 3.462,362 2.439,363 5.269,364 3.195,365 2.239,366 2.603,368 6.579,369 2.13,370 3.212,371 1.97,372 4.648,373 2.796,374 1.826,375 2.495,377 4.768,378 1.768,379 3.074,380 1.819,381 4.441,382 2.694,383 1.711,384 2.217,386 4.471,387 1.676,388 2.896,389 1.458,390 3.7,391 2.408,392 1.415,393 2.084,395 3.039,396 1.403,397 2.504,398 1.262,399 3.589,400 2.153,401 1.175,402 1.505,404 2.734,405 1.147,406 2.5,407 1.146,408 3.489,409 2,410 1,411 1.5,413 2.275,414 1,415 2.316,416 1.051,417 3.414,418 1.967,419 1,420 1.243,422 2.269,423 0.965,424 2,425 1,426 3.247,427 1.889,428 0.897,429 1,431 2.136,432 0.889,433 1.603,434 0.634,435 3.008,436 1.327,437 0.372,438 0.441,440 0.898,441 0.353,442 1.068,443 0.03,444 2.602,445 0.771,446 -0.185,447 -0.21,449 -0.44,450 -0.175,451 0.924,452 -0.34,453 2.36,454 0.527,455 -0.46,456 -0.62,458 -1.116,459 -0.452,460 0.665,461 -0.6,462 2.258,463 0.25,464 -0.727,465 -0.956,467 -1.751,468 -0.707,469 11.633,470 0.485,471 0.448,472 0.019,473 32.25,474 1.344,475 17,476 0.708,477 15.25,478 0.635,479 17.687,480 0.737,481 24.967,482 0.543,483 21.368,484 0.89,485 6.493,486 0.271,487 5.316,488 0.222,489 0.029,491 0.284,496 0.984,497 1.245,498 0.861,499 1.011,500 0.935,501 0.941,502 1.159,503 1.07,504 1.017,505 0.94,506 0.629,507 0.943,508 1.057,509 0.989,510 1.057,511 1.004,512 0.804,513 1.017,514 0.913,515 1.147,516 1.079,517 1.149,518 1.03,519 1.137,520 0.931,521 1.011,522 0.938,523 0.989,524 0.865,525 0.965,526 1.525,527 1.053,528 1.141,529 1.051,530 1.673,531 1.066,532 1.13,533 0.989,534 1.086,535 1.005,536 1.336,537 1.043,538 0.57,539 0.84,540 0.81,541 0.838,542 0.435,543 0.838,544 3.5,545 0.054,546 2.667,547 1.188,548 1.2,549 0.66,550 0.32,551 0.207,552 0.201,553 0.119,554 6969,555 15031,556 2.187,557 47.8,559 21,562 1,567 1.666,568 2.118,569 3.301,570 -0.424,572 1,575 61.738,576 1.342,577 2.93,578 3.645,579 4.516,580 4.828,581 4.871,582 2.694,583 3.772,584 4.558,585 3.463,586 955.783,587 7.849,588 11239.2,590 1,592 1,593 254.084,594 1.099,595 4.546,596 0.13,597 0.003,598 0.072,599 0.031,600 0.037,601 0.022,602 0.013,603 0.011,604 0.013,605 0.007,606 0.339,607 0.67,608 1,609 0.382,610 114.321,611 -0.022,612 -0.132,613 0.059,614 -0.002,615 -0.062,616 0.025,617 -0.135,618 0.067,619 -0.061,620 0.015,622 -0.006,623 -0.057,624 0.061,625 -0.09,626 -0.037,627 -0.002,628 -0.059,629 0.053,630 -0.181,631 -0.109,632 -0.164,633 -0.023,634 -0.156,635 0.022,636 -0.051,637 0.053,638 -0.022,639 0.04,640 0.013,641 -0.145,642 -0.096,643 -0.129,644 -0.09,645 -0.177,646 -0.107,648 -0.053,649 -0.083,650 -0.039,651 -0.135,652 -0.068,653 0.07,654 0.09,655 0.177,656 0.131,657 0.088,658 0.16,659 1.265,660 4.332,661 0.917,662 19.611,663 0.986,664 1.116,665 3.334,666 11.113,667 0.676,668 3.332,669 3.638,670 3.932,671 4.19,672 4.454,673 4.431,674 4.533,675 4.654,676 4.771,677 4.745,678 6.035,679 0.631,680 318.45,681 3.332,682 4.86,683 5.714,684 6.583,685 7.453,686 8.328,687 9.202,688 10.079,689 10.956,690 11.834,691 4.3,694 1,697 1,708 2,709 11,714 3,716 17,732 1,734 1,738 46,739 17,740 3,741 27,743 49,744 21,745 16,746 5,747 11,752 4,753 5,768 16,769 5,786 1,789 22,790 3,791 1,792 3,797 2,803 0.75,804 1,823 4,827 1,851 1,855 3,862 24,868 1,869 5,875 2,886 2.2,888 1,893 11.333,894 8.017,895 5.278,896 2.801,898 3.256,899 1.441,900 1.003,901 4.306,902 10.641,903 3.597,904 4.19,905 4.79,906 5.368,907 5.935,908 6.081,909 6.402,910 6.72,911 7.034,912 6.867,913 0.857,914 38,915 8.887,917 3.772,918 7.493,919 17.556,921 14.803,924 1.993,925 47.833,928 1,929 247.193,930 125.855,931 6.249,933 42.683,936 125.855,937 289.876,938 6.249,940 10.529,941 104.239,942 42.683,943 17.337,945 247.193,947 247.193,948 132.104,949 42.683,952 247.193,953 42.683,956 13.653,957 118.451,960 247.193,961 48.932,962 125.855,965 247.193,966 21.617,967 110.487,969 42.683,970 247.193,971 48.932,972 125.855,973 0.575,974 0.342,975 0.19,976 0.108,977 19,978 7,979 0.061,980 3,981 1,982 1.091,983 3.729,984 198.1,985 0.091,986 22,987 102.039,993 15.34,994 6.737,995 3.228,996 2.344,997 48.932,998 22.684,1003 2.741,1005 42.683,1006 421.981,1007 35.5,1020 45.367,1021 51.358,1022 0.243,1023 0.53,1024 0.66,1025 0.818,1026 0.874,1027 0.882,1028 4.814,1029 1.175,1030 5.673,1031 3.039,1032 4.317,1033 4.875,1034 1.242,1035 6.466,1036 4.256,1037 5.995,1038 1,1039 7.215,1040 2.734,1041 3.761,1042 4.543,1043 0.57,1044 7.334,1045 3.636,1046 7.284,1047 1,1048 8.86,1049 2.275,1050 5.883,1051 7.073,1052 0.883,1053 10.451,1054 5.76,1055 8.611,1056 0.897,1057 10.571,1058 2.269,1059 6.196,1060 7.649,1061 0.581,1062 12.191,1063 6.021,1064 9.976,1065 0.372,1066 12.324,1067 2.136,1068 7.741,1069 9.61,1070 0.68,1071 14.805,1072 7.565,1073 11.367,1074 -0.185,1075 14.106,1076 0.898,1077 8.471,1078 10.645,1079 0.515,1080 16.898,1081 8.261,1082 12.78,1083 -0.46,1084 15.91,1085 -0.44,1086 9.767,1087 12.351,1088 0.541,1089 19.344,1090 9.552,1091 3.134,1092 -0.727,1093 17.728,1094 -1.116,1095 10.702,1096 13.622,1097 0.441,1098 21.588,1099 10.466,1100 2.864,1101 10.768,1102 19.559,1103 -1.751,1104 11.892,1105 15.211,1106 0.438,1107 23.977,1108 11.648,1109 2.459,1110 9.054,1111 21.399,1112 4.496,1113 12.925,1114 16.601,1115 0.373,1116 26.287,1117 12.669,1118 2.239,1119 7.483,1120 23.247,1121 3.55,1122 14.071,1123 18.138,1124 0.358,1125 28.659,1126 13.808,1127 1.826,1128 6.579,1129 25.1,1130 3.225,1131 15.152,1132 19.586,1133 0.314,1134 30.999,1135 14.88,1136 1.711,1137 4.768,1138 26.959,1139 2.603,1140 16.283,1141 21.101,1142 0.296,1143 33.367,1144 16.005,1145 1.415,1146 4.471,1147 28.823,1148 2.495,1149 17.387,1150 22.577,1151 0.264,1152 35.722,1153 17.102,1154 6473,1155 9586,1156 18.781,1157 31.08,1158 40.396,1159 40.326,1160 40.78,1161 40.254,1162 40.185,1163 52.719,1164 3.778,1165 112.95,1166 38.957,1167 5.566,1168 5.305,1169 6.481,1170 5.19,1171 5.134,1172 7.496,1173 1.605,1174 17.917,1175 5.1,1176 6.006,1177 1.496,1178 1.494,1179 1.51,1180 1.491,1181 1.488,1182 1.953,1183 0.14,1184 4.183,1185 1.443,1186 4.101,1187 4.124,1188 4.056,1189 4.055,1190 6.469,1191 4.053,1192 3.939,1193 3.983,1194 3.866,1195 3.846,1196 4.849,1197 3.845,1198 3.72,1199 3.781,1200 3.607,1201 3.56,1202 4.763,1203 3.563,1204 3.489,1205 3.524,1206 3.399,1207 3.388,1208 4.321,1209 3.385,1210 3.209,1211 3.279,1212 3.086,1213 3.079,1214 4.189,1215 3.071,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.885,1221 2.91,1222 2.96,1223 3.023,1224 2.848,1225 2.794,1226 3.674,1227 2.798,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.673,1233 2.715,1234 0.169,1235 0.122,1236 0.247,1237 0.153,1238 0.116,1239 4.566,1240 0.167,1241 3.305,1242 0.034,1243 6.679,1244 0.399,1245 4.123,1246 0.115,1247 3.134,1248 4.496,1249 0.916,1250 10.768,1251 3.1,1252 2.078,1253 2.062,1254 2.158,1255 2.143,1256 1.364,1257 2.149,1258 1.913,1259 1.876,1260 2.047,1261 2.045,1262 1.264,1263 2.049,1264 1.7,1265 1.635,1266 1.902,1267 1.872,1268 1.033,1269 1.887,1270 1.481,1271 1.446,1272 1.652,1273 1.617,1274 0.825,1275 1.629,1276 1.207,1277 1.148,1278 1.513,1279 1.396,1280 0.789,1281 1.429,1282 1.153,1283 1.064,1284 1.45,1285 1.376,1286 0.593,1287 1.417,1288 0.935,1289 0.871,1290 1.181,1291 1.144,1292 0.328,1293 1.157,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.007,1302 5.313,1304 6.836,1306 8.453,1308 10.117,1314 10.332,1315 4.871,1321 4.861,1326 29.026,1327 61.738,1328 134.757,1329 167.666,1330 207.719,1331 222.084,1332 224.084,1333 29.198,1334 7.385,1335 26.71,1336 26.71,1337 24,1338 12.371,1339 4.17,1340 3.248,1341 33.994,1342 88,1343 84,1344 0.191,1345 176.802,1346 299.39,1347 423.156,1348 16639,1350 16.355,1351 0.681,1352 0.572,1353 16.355,1354 13.728,1355 11.81,1356 0.437,1357 0.316,1358 8.455,1359 11.539,1360 8.269,1361 6.819,1362 11.81,1363 8.531,1364 10.341,1365 0.279,1366 0.173,1367 10.341,1368 6.383,1369 9.055,1370 0.181,1371 0.098,1372 9.055,1373 4.891,1374 7.564,1375 0.116,1376 0.054,1377 7.564,1378 3.517,1379 6.533,1380 0.077,1381 0.031,1382 6.533,1383 2.598,1384 0.3,1385 72.623,1386 0.231,1387 23.515,1388 0.521,1389 128,1390 289.44,1391 134.6,1392 289.805,1393 407.73,1394 274,1395 151,1396 305.96,1397 158.544,1398 314.716,1399 460.24,1400 298,1401 4.303}
{0 CHEMBL1517553,1 1.661,2 11.172,3 3.004,4 9.023,5 112.204,6 7.696,7 0.355,8 4.073,9 4.189,10 3.689,11 3.628,12 5.193,13 3.585,14 4.616,15 4.782,16 4.085,17 4.026,18 5.765,19 3.951,20 4.864,21 5.058,22 4.198,23 4.163,24 5.942,25 4.073,26 4.922,27 5.106,28 4.225,29 4.169,30 6.075,31 4.08,32 4.963,33 5.173,34 4.018,35 4.081,36 6.115,37 3.992,38 4.908,39 5.132,40 4.019,41 4.003,42 6.258,43 3.901,44 4.825,45 5.044,46 3.86,47 3.898,48 6.103,49 3.789,50 4.705,51 4.935,52 3.754,53 3.83,54 5.867,55 3.712,56 0.071,57 0.781,58 11.467,59 5.266,60 13.02,61 6.489,62 0.375,63 1.245,64 23.026,65 9.075,66 47.707,67 11.595,68 0.463,69 1.519,70 32.78,71 11.5,72 58.141,73 14.474,74 0.439,75 1.599,76 37.624,77 12.458,78 51.5,79 15.291,80 0.666,81 1.552,82 36.134,83 11.208,84 93.797,85 14.391,86 0.852,87 1.45,88 35.563,89 11.244,90 140.792,91 14.765,92 0.773,93 1.307,94 34.597,95 10.33,96 124.421,97 12.806,98 0.618,99 1.188,100 30.165,101 9.108,102 96.467,103 11.263,104 43,105 43,106 0.276,107 0.634,108 0.842,109 0.873,110 0.885,111 0.891,112 3.408,113 1.011,114 -3.33,115 -3.31,116 -3.17,120 38.9,121 2,122 3,126 2,128 1,143 4,144 4,153 1,154 1,159 3,164 1,165 1,166 1,174 11,176 1,177 3,179 1,180 2,182 4,185 14,189 4,192 1,193 1,194 6,197 10,199 2,201 9,204 2,206 6,209 6,211 2,214 3,217 1,218 1,219 5,221 1,222 3,226 4,227 4,229 2,230 2,232 5,235 2,239 1,240 3,242 1,243 3,245 4,247 4,252 3,255 1,256 1,257 2,259 1,260 8,262 1,264 4,269 1,271 11,274 1340,275 19.336,276 19.336,277 19.336,278 19.336,279 19.336,280 17.544,281 25.356,282 11.475,283 19.746,284 15.233,285 15.233,286 15.233,287 15.233,288 15.233,289 12.348,290 31.759,291 5.303,292 15.812,293 4.094,294 1.944,295 0.695,296 0.509,297 0.435,298 0.398,299 4.086,306 1,307 1,308 680,309 4.183,312 88.542,313 164.352,317 140.025,320 1.546,321 39.536,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 63.5,333 324,334 4.624,335 3.759,336 6.913,337 4.22,338 3.266,339 4.346,340 1.956,341 11.522,342 3.116,343 4.307,344 3.589,345 6.506,346 4.022,347 3.031,348 3.87,349 1.674,350 10.196,351 3.005,352 3.872,353 3.508,354 6.005,355 3.529,356 2.548,357 3.183,358 0.98,359 8.222,360 2.48,361 3.679,362 3.292,363 5.314,364 3.375,365 2.387,366 2.87,367 0.671,368 6.68,369 2.346,370 3.306,371 2.834,372 5.19,373 3.063,374 2.092,375 2.449,376 0.22,377 6.204,378 2.032,379 3.228,380 2.389,381 4.765,382 2.82,383 1.859,384 2.361,386 5.058,387 1.758,388 2.981,389 2.081,390 4.69,391 2.618,392 1.622,393 2.104,395 4.421,396 1.618,397 2.944,398 1.813,399 4.161,400 2.578,401 1.618,402 2.086,404 3.791,405 1.518,406 2.597,407 1.721,408 3.824,409 2.273,410 1.275,411 1.618,413 2.846,414 1.273,415 2.441,416 1.409,417 3.598,418 2.029,419 1.117,420 1.359,422 2.535,423 1.001,424 2.215,425 1.395,426 3.397,427 1.978,428 1.004,429 1.175,431 2.301,432 0.969,433 2.066,434 1.257,435 3.148,436 1.683,437 0.744,438 0.932,440 1.427,441 0.671,442 1.65,443 0.854,444 2.957,445 1.464,446 0.497,447 0.549,449 1.134,450 0.477,451 1.172,452 0.65,453 2.617,454 0.869,455 -0.107,456 -0.12,458 -0.259,459 -0.102,460 0.851,461 0.315,462 2.335,463 0.605,464 -0.384,465 -0.428,467 -0.875,468 -0.371,469 13.867,470 0.478,471 0.754,472 0.026,473 33,474 1.138,475 15,476 0.517,477 18,478 0.621,479 28.858,480 0.995,481 32.333,482 0.599,483 26.02,484 0.897,485 6.358,486 0.219,487 7.56,488 0.261,489 0.173,491 0.361,496 0.748,497 1.153,498 0.781,499 0.97,500 0.61,501 0.939,502 0.611,503 1.06,504 0.779,505 0.952,506 0.463,507 0.931,508 0.921,509 1.031,510 0.911,511 0.989,512 0.873,513 0.933,514 0.857,515 1.377,516 1.176,517 1.432,518 0.891,519 1.194,520 1.379,521 1.037,522 1.094,523 0.996,524 1.388,525 1.051,526 0.743,527 1.077,528 0.957,529 1.044,530 0.766,531 1.005,532 1.311,533 1.005,534 1.219,535 1.028,536 1.337,537 1.004,538 1.431,539 0.747,540 1.163,541 0.809,542 1.592,543 0.873,544 5.5,545 0.246,546 3.556,547 2.854,548 1.741,549 1.143,550 0.662,551 0.334,552 0.243,553 0.248,554 10300,555 29163,556 1.993,557 46.3,558 7,559 9,562 4,564 5,567 1.721,568 1.832,569 3.414,570 1.663,571 1,572 1,575 89.674,576 1.661,577 3.811,578 5.06,579 5.245,580 5.32,581 5.357,582 2.779,583 4.306,584 4.834,585 3.611,586 1466.11,587 8.423,588 20299.9,590 1,592 1,593 310.764,594 1.519,595 4.768,596 0.177,597 0.008,598 0.083,599 0.062,600 0.039,601 0.03,602 0.018,603 0.011,604 0.009,605 0.009,606 0.445,607 0.17,608 1,609 1.239,610 147.788,611 -0.077,612 0.054,613 0.04,614 0.076,615 -0.06,616 0.06,617 0.176,618 0.036,619 0.144,620 0.09,621 0.145,622 0.073,623 -0.012,624 0.014,625 0.1,626 0.056,627 -0.036,628 0.063,629 0.065,630 -0.304,631 -0.049,632 -0.314,633 0.013,634 -0.193,635 -0.178,636 -0.042,637 -0.145,638 -0.076,639 -0.173,640 -0.118,641 0.333,642 -0.099,643 0.052,644 -0.082,645 0.342,646 -0.043,647 -0.015,648 -0.031,649 -0.113,650 -0.029,651 0.025,652 -0.059,653 -0.21,654 0.247,655 -0.081,656 0.173,657 -0.201,658 0.071,659 2.31,660 5.555,661 0.517,662 26.338,663 1.008,664 1.126,665 2.099,666 4.406,667 0.664,668 3.466,669 3.784,670 4.06,671 4.331,672 4.477,673 4.522,674 4.5,675 4.419,676 4.454,677 4.431,678 6.815,679 0.628,680 415.56,681 3.466,682 5.004,683 5.855,684 6.739,685 7.612,686 8.505,687 9.385,688 10.28,689 11.165,690 12.06,691 5.6,693 1,698 2,709 4,713 1,714 6,716 11,722 1,726 1,738 54,739 14,740 1,741 31,743 56,744 21,745 10,746 2,747 4,748 2,752 3,753 4,759 2,763 4,766 4,768 13,769 8,772 3,778 3,782 3,786 1,789 25,790 7,791 4,792 8,793 1,797 3,803 0.667,804 4,822 1,823 2,827 1,838 1,849 1,855 2,857 1,859 2,862 29,863 1,869 5,871 2,872 1,874 1,880 1,886 7.4,889 3,891 1,893 15.833,894 10.083,895 6.528,896 3.375,898 2.14,899 1.292,900 0.961,901 7.17,902 9.459,903 3.701,904 4.245,905 4.772,906 5.31,907 5.658,908 5.848,909 5.922,910 5.812,911 5.923,912 5.899,913 1,914 46,915 10.819,917 4.636,918 7.954,919 20.334,921 16.601,924 2.454,925 71.167,928 1,929 247.193,930 132.766,931 68.919,933 86.435,935 31.278,936 101.488,937 333.628,938 68.919,939 17.65,940 65.21,941 55.916,942 92.035,943 24.672,944 1.358,945 278.471,947 247.193,948 170.407,949 86.435,950 31.278,952 188.338,953 145.29,956 101.8,957 68.606,959 31.278,960 247.193,961 155.353,962 132.766,965 247.193,966 77.21,967 55.555,968 36.022,969 119.332,970 247.193,971 155.353,972 132.766,973 0.576,974 0.343,975 0.195,976 0.103,977 19,978 10,979 0.143,980 8,981 1,982 1.133,983 3.943,984 247.667,985 0.133,986 15,987 140.881,989 1,993 21.627,994 9.614,995 4.918,997 155.353,998 8.24,1002 0.992,1003 3.651,1005 68.919,1006 535.312,1007 39.5,1013 36.525,1017 -1.524,1020 54.411,1021 60.82,1022 0.289,1023 0.662,1024 0.879,1025 0.911,1026 0.924,1027 0.931,1028 4.947,1029 1.618,1030 5.849,1031 4.421,1032 4.466,1033 4.931,1034 2.772,1035 6.686,1036 4.399,1037 6.144,1038 1.275,1039 7.428,1040 3.791,1041 4.111,1042 4.82,1043 1.593,1044 7.673,1045 4.045,1046 7.455,1047 1.117,1048 9.113,1049 2.846,1050 6.075,1051 7.069,1052 3.653,1053 10.801,1054 5.951,1055 8.803,1056 1.004,1057 10.86,1058 2.535,1059 6.553,1060 7.803,1061 3.114,1062 12.642,1063 6.414,1064 10.186,1065 0.744,1066 12.647,1067 2.301,1068 8.005,1069 9.562,1070 4.729,1071 15.297,1072 7.823,1073 11.596,1074 0.497,1075 14.463,1076 1.427,1077 8.862,1078 10.679,1079 4.559,1080 17.48,1081 8.651,1082 13.025,1083 -0.107,1084 16.299,1085 1.134,1086 10.122,1087 12.252,1088 5.892,1089 19.979,1090 9.873,1091 3.266,1092 -0.384,1093 18.151,1094 -0.259,1095 11.149,1096 13.546,1097 5.96,1098 22.302,1099 10.864,1100 3.031,1101 11.522,1102 20.015,1103 -0.875,1104 12.339,1105 15.045,1106 7.102,1107 24.748,1108 12.017,1109 2.548,1110 10.196,1111 21.889,1112 4.346,1113 13.442,1114 16.421,1115 7.335,1116 27.13,1117 13.079,1118 2.387,1119 8.222,1120 23.77,1121 3.87,1122 14.609,1123 17.892,1124 8.344,1125 29.56,1126 14.208,1127 2.092,1128 6.68,1129 25.658,1130 3.183,1131 15.745,1132 19.308,1133 8.695,1134 31.968,1135 15.302,1136 1.859,1137 6.204,1138 27.551,1139 2.87,1140 16.908,1141 20.768,1142 9.61,1143 34.396,1144 16.425,1145 1.622,1146 5.058,1147 29.449,1148 2.449,1149 18.06,1150 22.205,1151 10.048,1152 36.816,1153 17.533,1154 10158,1155 17283,1156 19.997,1157 35.858,1158 46.69,1159 48.781,1160 48.804,1161 46.058,1162 46.118,1163 57.807,1164 11.002,1165 132.678,1166 44.526,1167 5.581,1168 5.759,1169 6.682,1170 5.356,1171 5.266,1172 7.346,1173 3.63,1174 18.817,1175 5.116,1176 17.1,1177 1.506,1178 1.574,1179 1.574,1180 1.486,1181 1.488,1182 1.865,1183 0.355,1184 4.28,1185 1.436,1186 4.026,1187 4.057,1188 4.279,1189 3.989,1190 7.44,1191 3.955,1192 3.96,1193 3.963,1194 3.937,1195 3.938,1196 7.432,1197 3.909,1198 3.61,1199 3.662,1200 3.527,1201 3.439,1202 7.427,1203 3.44,1204 3.529,1205 3.577,1206 3.456,1207 3.307,1208 4.894,1209 3.318,1210 3.483,1211 3.541,1212 3.348,1213 3.296,1214 4.748,1215 3.302,1216 3.316,1217 3.373,1218 3.22,1219 3.045,1220 4.578,1221 3.082,1222 3.166,1223 3.246,1224 3.077,1225 2.988,1226 4.4,1227 2.981,1228 3.076,1229 3.135,1230 2.999,1231 2.881,1232 4.215,1233 2.841,1234 0.149,1235 0.121,1236 0.223,1237 0.136,1238 0.105,1239 4.624,1240 0.14,1241 3.759,1242 0.063,1243 6.913,1244 0.372,1245 4.22,1246 0.101,1247 3.266,1248 4.346,1249 1.956,1250 11.522,1251 3.116,1252 1.999,1253 1.969,1254 2.131,1255 2.091,1256 1.435,1257 2.106,1258 1.694,1259 1.677,1260 1.834,1261 1.864,1262 0.977,1263 1.845,1264 1.589,1265 1.558,1266 1.787,1267 1.786,1268 0.936,1269 1.781,1270 1.525,1271 1.488,1272 1.775,1273 1.724,1274 0.926,1275 1.739,1276 1.47,1277 1.405,1278 1.689,1279 1.674,1280 0.888,1281 1.7,1282 1.347,1283 1.304,1284 1.435,1285 1.558,1286 0.689,1287 1.556,1288 1.125,1289 1.063,1290 1.398,1291 1.405,1292 0.579,1293 1.416,1294 1.044,1295 0.973,1296 1.307,1297 1.306,1298 0.309,1299 1.308,1300 4.143,1302 5.46,1303 2.398,1304 6.971,1305 4.844,1306 8.577,1307 7.034,1308 10.235,1310 3.314,1313 5.397,1315 3.353,1317 6.039,1318 5.067,1320 0.112,1326 33.905,1327 89.674,1328 205.767,1329 273.254,1330 283.254,1331 287.254,1332 289.254,1333 76.113,1334 7.32,1335 110.52,1336 138.76,1337 17,1338 12.587,1339 3.907,1340 3.248,1341 52.45,1342 120,1343 104,1344 0.213,1345 214.109,1346 378.53,1347 514.186,1348 15352,1350 20.966,1351 0.723,1352 0.599,1353 21.319,1354 17.357,1355 13.918,1356 0.449,1357 0.337,1358 9.581,1359 12.972,1360 9.252,1361 7.67,1362 14.326,1363 10.449,1364 12.424,1365 0.289,1366 0.185,1367 13.039,1368 7.938,1369 10.118,1370 0.178,1371 0.109,1372 11.046,1373 6.203,1374 8.763,1375 0.117,1376 0.063,1377 9.752,1378 4.702,1379 6.404,1380 0.074,1381 0.035,1382 7.222,1383 3.086,1384 0.336,1385 91.381,1386 0.224,1387 27.541,1388 0.58,1389 148,1390 467.781,1391 189.277,1392 464.761,1393 619,1394 432,1395 174,1396 422.614,1397 213.105,1398 440.767,1399 648.89,1400 415,1401 4.603}
{0 CHEMBL1517987,1 1.509,2 10.067,3 2.55,4 6.504,5 108.709,6 7.726,7 0.324,8 4.101,9 4.186,10 3.7,11 3.625,12 5.205,13 3.629,14 4.687,15 4.822,16 4.115,17 4.05,18 5.758,19 4.045,20 4.945,21 5.121,22 4.128,23 4.146,24 6.075,25 4.104,26 4.956,27 5.141,28 4.18,29 4.146,30 6.159,31 4.119,32 4.94,33 5.09,34 4.279,35 4.175,36 6.317,37 4.17,38 5.017,39 5.172,40 4.252,41 4.191,42 6.33,43 4.175,44 4.974,45 5.142,46 4.075,47 4.099,48 6.186,49 4.066,50 4.893,51 5.078,52 3.893,53 4.013,54 5.996,55 3.946,56 0.1,57 0.711,58 10.345,59 5.328,60 13.79,61 6.156,62 0.359,63 1.223,64 21.296,65 9.008,66 29.59,67 10.801,68 0.816,69 1.475,70 31.053,71 11.483,72 79.511,73 14.258,74 0.692,75 1.512,76 31.397,77 11.371,78 93.486,79 14.371,80 0.963,81 1.47,82 29.926,83 11.147,84 118.305,85 13.503,86 0.892,87 1.539,88 32.858,89 12.222,90 108.839,91 14.573,92 0.867,93 1.441,94 32.721,95 11.554,96 113.461,97 13.603,98 0.825,99 1.345,100 30.502,101 10.83,102 91.659,103 13.261,104 17,105 50,106 0.25,107 0.646,108 0.848,109 0.903,110 0.903,111 0.903,112 3.442,113 0.905,114 -2.28,115 -2.31,116 -2.28,120 43.4,121 1,122 3,126 2,128 3,137 1,139 1,143 5,144 2,145 1,152 1,153 1,158 1,159 1,174 7,176 1,177 11,182 1,185 7,188 2,189 8,192 2,197 8,200 1,201 6,204 1,206 1,209 6,213 4,214 9,217 1,219 3,222 5,226 2,227 12,230 1,232 4,235 5,239 1,240 10,245 2,247 8,251 1,252 5,255 1,260 7,263 2,264 4,269 1,271 5,274 1498,275 20.361,276 20.361,277 20.361,278 20.361,279 20.361,280 18.607,281 23.174,282 11.767,283 20.701,284 16.774,285 16.774,286 16.774,287 16.774,288 16.774,289 13.986,290 26.727,291 5.603,292 17.327,293 4.219,294 1.832,295 0.611,296 0.278,297 0.278,298 0.278,299 4.144,306 1,307 1,308 673,309 3.082,312 315.468,313 78.598,316 125.93,320 1.413,321 47.079,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66.5,333 302,334 4.678,335 3.983,336 7.208,337 4.398,338 3.419,339 4.156,340 1.375,341 12.673,342 3.351,343 4.333,344 3.524,345 6.348,346 3.991,347 3.021,348 3.91,349 0.941,350 9.702,351 2.937,352 3.966,353 3.3,354 6.15,355 3.668,356 2.685,357 3.468,358 0.86,359 8.917,360 2.633,361 3.871,362 3.094,363 5.941,364 3.534,365 2.551,366 3.187,367 0.86,368 8.053,369 2.512,370 3.561,371 2.908,372 5.541,373 3.423,374 2.465,375 2.614,376 0.114,377 7.229,378 2.334,379 3.276,380 2.348,381 5.253,382 2.979,383 2.014,384 2.381,386 6.21,387 1.938,388 3.038,389 2.241,390 4.901,391 2.77,392 1.826,393 2.106,395 5.259,396 1.715,397 2.998,398 2.135,399 4.789,400 2.717,401 1.722,402 2.081,404 4.968,405 1.703,406 2.856,407 1.888,408 4.432,409 2.484,410 1.516,411 1.948,413 4.307,414 1.459,415 2.592,416 1.77,417 4.026,418 2.222,419 1.237,420 1.534,422 2.901,423 1.212,424 2.368,425 1.571,426 3.565,427 2.043,428 1.057,429 1.231,431 2.504,432 1.031,433 2.137,434 1.259,435 3.356,436 1.817,437 0.791,438 1.076,440 1.97,441 0.805,442 2.118,443 1.025,444 3.158,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 1.632,452 0.963,453 3,454 1.516,455 0.618,456 0.618,458 1.372,459 0.548,460 1.618,461 0.699,462 3,463 1.338,464 0.381,465 0.458,467 1.003,468 0.361,469 13.9,470 0.463,471 0.819,472 0.027,473 35,474 1.167,475 15,476 0.5,477 20,478 0.667,479 28.649,480 0.955,481 32.9,482 0.621,483 28.921,484 0.964,485 6.775,486 0.226,487 7.749,488 0.258,489 0.108,491 0.424,496 0.785,497 1.245,498 0.727,499 1.119,500 0.647,501 0.946,502 0.944,503 1.13,504 0.841,505 1.043,506 0.61,507 0.934,508 1.028,509 0.983,510 0.996,511 0.964,512 0.786,513 0.974,514 0.991,515 1.041,516 0.879,517 0.964,518 1.24,519 0.901,520 0.944,521 0.968,522 0.874,523 0.954,524 1.116,525 0.898,526 1.163,527 1.101,528 1.016,529 1.097,530 1.576,531 1.035,532 1.434,533 1.02,534 1.18,535 1.019,536 1.695,537 1.037,538 1.247,539 0.99,540 1.212,541 1.027,542 1.318,543 1.098,544 5.5,545 0.091,546 3.333,547 3.215,548 2.138,549 1.587,550 0.914,551 0.512,552 0.323,553 0.22,554 11186,555 29349,556 2.145,557 43.4,559 12,560 1,562 1,564 9,567 1.736,568 2,569 3.279,570 -0.349,571 1,572 1,575 79.986,576 1.509,577 3.895,578 5.117,579 5.45,580 5.45,581 5.45,582 2.727,583 4.64,584 4.877,585 3.43,586 1492.22,587 8.553,588 19748.9,590 1,592 1,593 303.58,594 1.429,595 4.837,596 0.162,597 0.005,598 0.067,599 0.067,600 0.042,601 0.028,602 0.017,603 0.012,604 0.009,605 0.008,606 0.417,607 0.33,608 0.88,609 0.551,610 150.466,611 -0.054,612 -0.11,613 0.056,614 -0.039,615 -0.046,616 0.021,617 -0.063,618 -0.038,619 0.036,620 -0.026,621 0.002,622 0.02,623 -0.008,624 0.027,625 -0.031,626 0.018,627 0.06,628 -0.012,629 -0.015,630 -0.018,631 0.088,632 0.009,633 -0.002,634 0.063,635 0.168,636 0.066,637 0.082,638 0.029,639 0.192,640 0.04,641 0.004,642 -0.111,643 -0.041,644 -0.113,645 -0.056,646 -0.091,647 -0.196,648 -0.054,649 -0.175,650 -0.048,651 -0.229,652 -0.096,653 -0.134,654 -0.02,655 -0.215,656 -0.056,657 -0.19,658 -0.139,659 2.242,660 6.462,661 0.8,662 25.924,663 1.015,664 1.119,665 1.047,666 1.096,667 0.662,668 3.555,669 3.932,670 4.277,671 4.615,672 4.796,673 4.956,674 5.124,675 5.257,676 5.298,677 5.361,678 6.006,679 0.643,680 409.47,681 3.555,682 5.13,683 6.019,684 6.932,685 7.842,686 8.763,687 9.681,688 10.606,689 11.529,690 12.457,691 1.9,698 1,709 6,712 1,714 4,716 11,721 1,735 1,738 53,739 14,740 1,741 34,743 57,744 23,745 10,746 3,747 3,748 4,752 5,753 6,759 1,763 6,766 6,768 14,769 9,772 3,778 2,782 4,786 1,788 1,789 23,790 7,791 1,792 7,797 1,803 0.8,804 6,810 1,822 4,823 1,826 1,839 1,845 1,846 1,853 1,854 1,855 4,859 1,862 30,868 1,869 5,872 2,874 3,875 1,886 11.3,888 1,889 2,890 1,891 2,893 15,894 9.733,895 6.417,896 3.371,898 1.969,899 1.252,900 0.97,901 5.014,902 9.791,903 3.773,904 4.341,905 4.91,906 5.444,907 5.835,908 6.154,909 6.504,910 6.8,911 6.959,912 7.15,913 0.857,914 48,915 11.3,917 5.177,918 7.878,919 21.302,921 18.487,924 2.378,925 71.333,928 1,929 258.964,930 112.335,931 3.124,933 124.48,936 112.335,937 383.445,938 3.124,939 8.825,940 17.426,941 59.121,942 113.811,943 35.307,944 17.22,945 247.193,947 258.964,948 115.459,949 124.48,952 153.024,953 219.42,954 11,956 26.251,957 89.208,960 258.964,961 127.605,962 112.335,965 258.964,966 44.389,967 71.07,969 124.48,970 258.964,971 127.605,972 112.335,973 0.593,974 0.361,975 0.207,976 0.106,977 27,978 12,979 0.088,980 5,981 1,982 1.083,983 4.026,984 292.837,985 0.083,986 24,987 147.207,993 19.554,994 7.692,995 3.425,997 127.605,998 10.141,1001 5.561,1003 2.564,1005 42.683,1006 498.904,1007 42.5,1013 26.386,1017 -1.447,1020 53.785,1021 59.322,1022 0.263,1023 0.68,1024 0.893,1025 0.951,1026 0.951,1027 0.951,1028 5.061,1029 1.722,1030 6.028,1031 5.259,1032 4.615,1033 5.027,1034 2.181,1035 6.909,1036 4.558,1037 6.26,1038 1.516,1039 7.629,1040 4.968,1041 4.29,1042 4.844,1043 0.914,1044 7.926,1045 4.214,1046 7.577,1047 1.237,1048 9.331,1049 4.307,1050 6.271,1051 7.141,1052 2.245,1053 11.104,1054 6.165,1055 8.932,1056 1.057,1057 11.094,1058 2.901,1059 6.804,1060 7.814,1061 1.552,1062 12.998,1063 6.68,1064 10.322,1065 0.791,1066 12.897,1067 2.504,1068 8.248,1069 9.572,1070 2.493,1071 15.713,1072 8.102,1073 11.738,1074 0.618,1075 14.729,1076 1.97,1077 9.155,1078 10.622,1079 2.172,1080 17.978,1081 8.99,1082 13.174,1083 0.618,1084 16.582,1085 1.372,1086 10.42,1087 12.175,1088 2.888,1089 20.555,1090 10.235,1091 3.419,1092 0.381,1093 18.452,1094 1.372,1095 11.492,1096 13.401,1097 2.807,1098 22.978,1099 11.288,1100 3.021,1101 12.673,1102 20.337,1103 1.003,1104 12.702,1105 14.868,1106 3.382,1107 25.517,1108 12.479,1109 2.685,1110 9.702,1111 22.234,1112 4.156,1113 13.847,1114 16.179,1115 3.452,1116 28.006,1117 13.604,1118 2.551,1119 8.917,1120 24.142,1121 3.91,1122 15.046,1123 17.61,1124 3.937,1125 30.538,1126 14.784,1127 2.465,1128 8.053,1129 26.058,1130 3.468,1131 16.226,1132 18.965,1133 4.101,1134 33.054,1135 15.944,1136 2.014,1137 7.229,1138 27.982,1139 3.187,1140 17.427,1141 20.38,1142 4.527,1143 35.587,1144 17.127,1145 1.826,1146 6.21,1147 29.914,1148 2.614,1149 18.624,1150 21.758,1151 4.748,1152 38.116,1153 18.304,1154 10379,1155 16967,1156 22.887,1157 35.108,1158 53.075,1159 55.037,1160 53.171,1161 52.23,1162 52.212,1163 63.823,1164 8.3,1165 157.818,1166 50.672,1167 5.666,1168 5.983,1169 6.821,1170 5.465,1171 5.419,1172 7.156,1173 2.484,1174 20.383,1175 5.351,1176 13.667,1177 1.561,1178 1.619,1179 1.564,1180 1.536,1181 1.536,1182 1.877,1183 0.244,1184 4.642,1185 1.49,1186 4.068,1187 4.083,1188 4.029,1189 3.966,1190 7.435,1191 3.976,1192 3.949,1193 3.967,1194 3.897,1195 3.822,1196 7.422,1197 3.838,1198 3.809,1199 3.842,1200 3.71,1201 3.642,1202 6.459,1203 3.649,1204 3.704,1205 3.717,1206 3.636,1207 3.547,1208 5.072,1209 3.566,1210 3.504,1211 3.55,1212 3.397,1213 3.355,1214 4.86,1215 3.354,1216 3.202,1217 3.26,1218 3.084,1219 3.018,1220 4.635,1221 3.021,1222 3.034,1223 3.074,1224 2.902,1225 2.834,1226 4.279,1227 2.843,1228 2.949,1229 3.018,1230 2.758,1231 2.804,1232 4.05,1233 2.782,1234 0.138,1235 0.117,1236 0.212,1237 0.129,1238 0.101,1239 4.678,1240 0.122,1241 3.983,1242 0.04,1243 7.208,1244 0.373,1245 4.398,1246 0.099,1247 3.419,1248 4.156,1249 1.375,1250 12.673,1251 3.351,1252 1.916,1253 1.902,1254 2.002,1255 1.99,1256 1.274,1257 1.992,1258 1.687,1259 1.648,1260 1.893,1261 1.871,1262 1.22,1263 1.871,1264 1.607,1265 1.574,1266 1.821,1267 1.767,1268 1.071,1269 1.786,1270 1.551,1271 1.5,1272 1.754,1273 1.735,1274 0.991,1275 1.745,1276 1.473,1277 1.437,1278 1.67,1279 1.697,1280 0.899,1281 1.682,1282 1.425,1283 1.384,1284 1.581,1285 1.587,1286 0.633,1287 1.592,1288 1.267,1289 1.254,1290 1.407,1291 1.551,1292 0.531,1293 1.503,1294 1.049,1295 1.037,1296 1.351,1297 1.315,1298 0.487,1299 1.287,1300 4.234,1302 5.595,1303 3.714,1304 7.132,1305 6.043,1306 8.756,1307 8.106,1308 10.434,1310 1.974,1314 10.699,1315 3.424,1318 11.394,1320 -0.844,1321 1.482,1326 34.105,1327 79.986,1328 206.46,1329 271.215,1330 288.825,1331 288.825,1332 288.825,1333 69.521,1334 7.822,1335 89.21,1336 89.21,1337 26,1338 12.961,1339 3.907,1340 3.248,1341 41.241,1342 104,1343 120,1344 0.189,1345 201.78,1346 365.48,1347 484.103,1348 24681,1350 20.828,1351 0.694,1352 0.556,1353 20.828,1354 16.667,1355 14.525,1356 0.427,1357 0.302,1358 10.095,1359 13.85,1360 9.92,1361 8.081,1362 14.525,1363 10.26,1364 13.496,1365 0.27,1366 0.161,1367 13.496,1368 8.057,1369 12.016,1370 0.169,1371 0.084,1372 12.016,1373 5.943,1374 10.449,1375 0.104,1376 0.045,1377 10.449,1378 4.543,1379 7.802,1380 0.065,1381 0.023,1382 7.802,1383 2.818,1384 0.287,1385 92.052,1386 0.209,1387 27.667,1388 0.553,1389 168,1390 530.472,1391 188.463,1392 490.494,1393 665.62,1394 460,1395 205,1396 485.745,1397 226.88,1398 480.872,1399 719.28,1400 455,1401 4.156}
{0 CHEMBL1518184,1 1.874,2 10.864,3 3.966,4 15.726,5 92.307,6 10.564,7 0.522,8 3.681,9 3.783,10 3.542,11 3.279,12 4.878,13 3.248,14 4.141,15 4.28,16 3.951,17 3.596,18 5.369,19 3.544,20 4.335,21 4.491,22 4.08,23 3.698,24 5.58,25 3.598,26 4.277,27 4.475,28 4.024,29 3.614,30 5.466,31 3.474,32 4.172,33 4.35,34 3.745,35 3.515,36 5.376,37 3.357,38 4.019,39 4.185,40 3.808,41 3.294,42 5.391,43 3.233,44 3.907,45 4.064,46 3.505,47 3.264,48 5.205,49 3.166,50 3.921,51 4.117,52 3.889,53 3.267,54 5.141,55 3.116,56 0.07,57 0.505,58 3.062,59 2.944,60 6.478,61 3.277,62 0.246,63 0.788,64 8.874,65 5.053,66 20.789,67 5.682,68 0.476,69 0.901,70 20.853,71 7.108,72 45.063,73 6.841,74 0.341,75 0.844,76 21.45,77 7.329,78 39.463,79 7.834,80 0.327,81 0.752,82 43.116,83 7.995,84 34.503,85 7.39,86 0.364,87 0.64,88 16.869,89 5.237,90 37.735,91 4.775,92 0.25,93 0.582,94 13.253,95 4.61,96 29.849,97 4.428,98 0.226,99 0.573,100 23.985,101 5.723,102 28.1,103 5.498,104 17,105 30,106 0.341,107 0.685,108 0.819,109 0.907,110 0.907,111 0.907,112 3.145,113 0.998,114 -3.82,115 -3.78,116 -3.59,118 1,120 41.7,121 1,126 1,143 6,144 1,145 2,146 1,148 1,159 1,160 1,174 6,177 3,180 2,181 1,182 1,185 6,188 1,189 4,192 1,194 1,197 4,201 1,204 2,206 2,209 2,214 2,217 1,219 2,226 1,227 4,232 4,239 1,240 3,245 2,252 3,257 4,264 2,269 1,271 1,274 672,275 14.499,276 14.499,277 14.499,278 14.499,279 14.499,280 12.61,281 15.8,282 8.826,283 14.993,284 11.36,285 11.36,286 11.36,287 11.36,288 11.36,289 8.571,290 18.239,291 4.246,292 12.241,293 3.296,294 1.41,295 0.674,296 0.188,297 0.188,298 0.188,299 3.805,305 1,306 1,307 1,308 495,309 3.464,313 170.437,320 1.707,321 20.291,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47.25,333 239,334 4.231,335 3.853,336 6.06,337 3.777,338 2.859,339 3.879,340 2.053,341 8.709,342 2.606,343 3.983,344 3.511,345 5.524,346 3.581,347 2.661,348 3.479,349 1.725,350 7.504,351 2.456,352 3.735,353 3.226,354 5.163,355 3.354,356 2.383,357 2.996,358 0.881,359 6.451,360 2.307,361 3.466,362 2.554,363 4.956,364 3.08,365 2.121,366 2.773,367 0.159,368 5.808,369 2.005,370 3.305,371 2.429,372 4.533,373 2.802,374 1.878,375 2.457,377 4.757,378 1.705,379 2.854,380 2.154,381 4.156,382 2.365,383 1.468,384 1.989,386 3.734,387 1.323,388 2.837,389 1.53,390 3.569,391 2.326,392 1.38,393 1.959,395 2.986,396 1.186,397 2.5,398 1.35,399 3.247,400 1.958,401 1,402 1.5,404 2.136,405 0.956,406 1.944,407 1,408 3.187,409 1.62,410 0.724,411 0.839,413 1.651,414 0.627,415 1.205,416 0.931,417 2.72,418 0.908,424 1.183,425 0.587,426 2.359,427 0.776,428 -0.159,429 -0.198,431 -0.375,432 -0.135,433 1,434 0.371,435 2.306,436 0.364,437 -0.514,438 -0.621,440 -1.242,441 -0.336,442 0.796,443 0.036,444 1.949,445 0.315,446 -0.562,447 -0.766,449 -1.292,450 -0.496,451 0.5,452 -0.251,453 1.566,454 -0.003,455 -1,456 -1.269,458 -2.261,459 -0.889,460 0.464,461 -0.63,462 1.555,463 -0.023,464 -1,465 -1.452,467 -2.347,468 -0.974,469 11.533,470 0.524,471 0.544,472 0.025,473 29.25,474 1.33,475 15.5,476 0.705,477 13.75,478 0.625,479 16.755,480 0.762,481 22.667,482 0.63,483 18.664,484 0.848,485 5.897,486 0.268,487 4.645,488 0.211,489 0.26,491 0.26,496 0.838,497 1.183,498 0.487,499 0.726,500 0.638,501 0.791,502 0.855,503 1.105,504 0.588,505 0.826,506 0.635,507 0.881,508 1.178,509 1.03,510 1.015,511 1.023,512 1.258,513 1.054,514 0.937,515 0.991,516 0.977,517 0.945,518 0.706,519 0.945,520 1.179,521 1.112,522 2.106,523 1.6,524 1.207,525 1.243,526 1.49,527 1.023,528 0.737,529 0.969,530 1.582,531 0.839,532 1.439,533 1.001,534 0.913,535 0.985,536 1.931,537 1.034,538 1.114,539 1.035,540 0.608,541 0.849,542 1.269,543 0.852,544 5,545 0.05,546 2,547 1.375,548 0.924,549 0.542,550 0.344,551 0.262,552 0.123,553 0.147,554 5331,555 18491,556 1.969,557 38.9,558 3,559 8,561 1,562 2,567 1.639,568 1.833,569 3.405,570 0.393,572 1,575 67.456,576 1.874,577 3.76,578 4.496,579 4.982,580 4.982,581 4.982,582 2.885,583 3.698,584 4.434,585 3.571,586 824.969,587 7.582,588 9636.56,590 1,592 1,593 186.117,594 1.435,595 4.382,596 0.217,597 0.004,598 0.067,599 0.049,600 0.039,601 0.026,602 0.016,603 0.015,604 0.007,605 0.011,606 0.451,607 0.33,608 1,609 0.65,610 104.109,611 -0.096,612 -0.121,613 -0.003,614 -0.021,615 -0.096,616 -0.002,617 0.109,618 -0.085,619 0.036,620 -0.039,621 0.07,622 -0.031,623 0.014,624 -0.015,625 -0.057,626 -0.079,627 -0.127,628 -0.154,629 0.071,630 -0.035,631 0.044,632 0.058,633 0.183,634 0.054,635 -0.098,636 -0.12,637 -0.339,638 -0.318,639 -0.07,640 -0.19,641 -0.027,642 -0.018,643 0.06,644 0.003,645 0.075,646 0.073,647 -0.19,648 0.012,649 -0.103,650 -0.054,651 -0.232,652 -0.139,653 -0.009,654 -0.085,655 0.254,656 0.188,657 0.029,658 0.161,659 2.013,660 4.796,661 0.545,662 18.595,663 1.016,664 1.116,665 2.589,666 6.702,667 0.736,668 3.178,669 3.434,670 3.555,671 3.714,672 3.807,673 3.664,674 3.526,675 3.584,676 3.434,677 3.497,678 6.421,679 0.691,680 380.29,681 3.178,682 4.673,683 5.46,684 6.29,685 7.089,686 7.92,687 8.725,688 9.556,689 10.362,690 11.194,691 8.3,698 2,701 1,709 7,710 1,714 4,716 12,735 1,737 1,738 36,739 14,740 1,741 23,742 1,743 37,744 15,745 11,746 3,747 3,752 2,753 2,757 1,759 1,768 13,769 2,772 2,778 1,779 1,782 2,786 1,789 14,790 5,791 2,792 7,793 2,797 3,800 1,803 1,804 2,816 1,823 2,855 2,857 1,858 1,859 1,862 22,869 1,871 2,872 1,885 1,886 5.6,889 1,891 1,893 12,894 6.676,895 4.944,896 1.909,898 1.972,899 1.316,900 0.957,901 6.304,902 8.202,903 3.466,904 3.989,905 4.382,906 4.848,907 5.254,908 5.071,909 4.982,910 5.224,911 5.094,912 5.249,913 1,914 28,915 8.056,917 3.24,918 7.883,919 15.001,921 11.349,924 2.383,925 52.417,929 141.253,930 143.316,931 98.761,933 36.145,935 45.192,936 144.078,937 177.398,938 52.807,939 8.825,940 40.614,941 56.857,942 58.406,943 31.531,944 2.612,945 129.482,946 91.146,947 141.253,948 150.931,949 36.145,950 45.192,951 45.954,952 141.253,953 36.145,956 58.487,957 75.659,958 16.786,959 91.146,960 141.253,961 88.952,962 189.27,965 141.253,966 23.394,967 74.73,968 81.976,969 98.122,970 141.253,971 88.952,972 189.27,973 0.57,974 0.308,975 0.159,976 0.081,977 12,978 6,979 0.108,980 4,982 1,983 3.518,984 151.81,986 12,987 98.107,990 1,993 16.87,994 8.221,995 5.674,997 88.952,998 12.615,999 4.052,1003 3.068,1005 36.022,1006 419.475,1007 31,1013 11.796,1014 5.038,1017 -0.17,1020 36.567,1021 40.167,1022 0.362,1023 0.727,1024 0.87,1025 0.964,1026 0.964,1027 0.964,1028 4.654,1029 1,1030 5.416,1031 2.986,1032 4.111,1033 4.673,1034 2.696,1035 6.107,1036 3.964,1037 5.836,1038 0.724,1039 6.905,1040 2.136,1041 3.611,1042 4.369,1043 2.029,1044 6.742,1045 3.344,1046 7.109,1048 8.485,1049 1.651,1050 5.595,1051 6.741,1052 3.674,1053 9.754,1054 5.313,1055 8.409,1056 -0.159,1057 10.116,1059 5.832,1060 7.148,1061 3.604,1062 11.163,1063 5.41,1064 9.732,1065 -0.514,1066 11.78,1067 -0.375,1068 7.314,1069 9.055,1070 4.847,1071 13.682,1072 6.882,1073 11.073,1074 -0.562,1075 13.467,1076 -1.242,1077 7.918,1078 9.822,1079 5.092,1080 15.452,1081 7.336,1082 12.427,1083 -1,1084 15.17,1085 -1.292,1086 9.167,1087 11.507,1088 6.115,1089 17.768,1090 8.567,1091 2.859,1092 -1,1093 16.887,1094 -2.261,1095 9.966,1096 12.485,1097 6.542,1098 19.721,1099 9.217,1100 2.661,1101 8.709,1102 18.615,1103 -2.347,1104 11.101,1105 14.041,1106 7.439,1107 21.946,1108 10.319,1109 2.383,1110 7.504,1111 20.351,1112 3.879,1113 12.006,1114 15.151,1115 7.976,1116 23.994,1117 11.084,1118 2.121,1119 6.451,1120 22.096,1121 3.479,1122 13.085,1123 16.628,1124 8.8,1125 26.179,1126 12.113,1127 1.878,1128 5.808,1129 23.847,1130 2.996,1131 14.049,1132 17.824,1133 9.404,1134 28.277,1135 12.946,1136 1.468,1137 4.757,1138 25.604,1139 2.773,1140 15.101,1141 19.251,1142 10.184,1143 30.445,1144 13.936,1145 1.38,1146 3.734,1147 27.365,1148 2.457,1149 16.096,1150 20.502,1151 10.832,1152 32.571,1153 14.809,1154 5327,1155 10061,1156 14.909,1157 26.495,1158 33.451,1159 35.383,1160 34.056,1161 33.137,1162 32.947,1163 43.742,1164 9.634,1165 87.47,1166 30.341,1167 5.161,1168 5.853,1169 5.861,1170 4.855,1171 4.859,1172 6.879,1173 3.66,1174 14.951,1175 4.606,1176 11.65,1177 1.454,1178 1.538,1179 1.481,1180 1.441,1181 1.432,1182 1.902,1183 0.419,1184 3.803,1185 1.319,1186 3.933,1187 3.955,1188 6.88,1189 3.882,1190 7.429,1191 3.867,1192 3.867,1193 3.91,1194 3.963,1195 3.75,1196 4.968,1197 3.755,1198 3.618,1199 3.652,1200 3.774,1201 3.448,1202 4.835,1203 3.434,1204 3.288,1205 3.332,1206 3.723,1207 3.163,1208 4.741,1209 3.127,1210 3.132,1211 3.197,1212 3.399,1213 3.021,1214 4.323,1215 2.976,1216 2.87,1217 2.915,1218 2.976,1219 2.835,1220 3.852,1221 2.779,1222 2.819,1223 2.89,1224 2.784,1225 2.71,1226 3.804,1227 2.676,1228 2.736,1229 2.824,1230 2.62,1231 2.501,1232 3.75,1233 2.509,1234 0.184,1235 0.168,1236 0.263,1237 0.164,1238 0.124,1239 4.231,1240 0.169,1241 3.853,1242 0.089,1243 6.06,1244 0.379,1245 3.777,1246 0.113,1247 2.859,1248 3.879,1249 2.053,1250 8.709,1251 2.606,1252 1.898,1253 1.881,1254 1.989,1255 1.984,1256 1.127,1257 1.992,1258 1.821,1259 1.78,1260 1.937,1261 1.966,1262 0.939,1263 1.963,1264 1.501,1265 1.469,1266 1.646,1267 1.754,1268 0.763,1269 1.729,1270 1.224,1271 1.181,1272 1.476,1273 1.442,1274 0.569,1275 1.462,1276 1.111,1277 1.055,1278 1.285,1279 1.326,1280 0.34,1281 1.354,1282 0.872,1283 0.83,1284 1.09,1285 1.035,1286 0.18,1287 1.06,1288 0.821,1289 0.762,1290 1.069,1291 0.996,1292 0.122,1293 1.047,1294 0.659,1295 0.578,1296 0.919,1297 0.976,1299 0.973,1300 3.85,1302 5.118,1304 6.561,1306 8.083,1308 9.644,1309 3.389,1310 1.975,1315 -0.133,1317 5.344,1318 5.443,1326 24.867,1327 67.456,1328 135.346,1329 161.853,1330 179.362,1331 179.362,1332 179.362,1333 36.91,1334 6.23,1335 63.25,1336 95.34,1337 12,1338 11.771,1339 3.907,1340 3.17,1341 42.559,1342 85,1343 72,1344 0.24,1345 167.87,1346 288.79,1347 401.362,1348 3846,1349 2.8,1350 15.949,1351 0.725,1352 0.645,1353 17.449,1354 14.201,1355 10.542,1356 0.458,1357 0.333,1358 6.439,1359 9.363,1360 6.175,1361 5.161,1362 11.408,1363 7.653,1364 9.419,1365 0.314,1366 0.19,1367 10.569,1368 5.702,1369 6.905,1370 0.203,1371 0.101,1372 7.847,1373 3.429,1374 5.548,1375 0.139,1376 0.061,1377 6.652,1378 2.439,1379 3.9,1380 0.089,1381 0.028,1382 4.387,1383 1.251,1384 0.388,1385 77.265,1386 0.259,1387 22.347,1388 0.625,1389 106,1390 363.297,1391 197.491,1392 408.637,1393 528.22,1394 378,1395 117,1396 334.168,1397 172.122,1398 358.864,1399 514.71,1400 335,1401 6.796}
{0 CHEMBL1518672,1 1.663,2 8.421,3 3.391,4 11.5,5 76.517,6 7.897,7 0.476,8 3.663,9 3.768,10 3.34,11 3.266,12 4.732,13 3.208,14 4.222,15 4.389,16 3.775,17 3.685,18 5.343,19 3.6,20 4.483,21 4.7,22 3.743,23 3.811,24 5.436,25 3.67,26 4.54,27 4.79,28 3.61,29 3.73,30 5.474,31 3.541,32 4.267,33 4.525,34 3.451,35 3.437,36 5.198,37 3.29,38 3.868,39 4.022,40 3.196,41 3.273,42 5.036,43 3.163,44 3.954,45 4.183,46 2.853,47 3.222,48 4.83,49 3.043,50 3.843,51 4.092,52 2.676,53 2.992,54 4.726,55 2.846,56 0.029,57 0.514,58 7.452,59 3.562,60 6.661,61 4.299,62 0.228,63 0.894,64 15.791,65 5.913,66 33.037,67 7.682,68 0.151,69 1.08,70 21.954,71 8.404,72 25.81,73 10.632,74 0.28,75 1.102,76 29.139,77 9.441,78 39.835,79 11.251,80 0.291,81 0.842,82 24.828,83 6.972,84 26.159,85 8.17,86 0.142,87 0.586,88 11.294,89 4.529,90 17.954,91 5.561,92 0.189,93 0.609,94 14.03,95 5.103,96 14.63,97 6.637,98 0.065,99 0.486,100 10.579,101 4.306,102 12.625,103 5.882,104 11,105 30,106 0.307,107 0.648,108 0.79,109 0.815,110 0.815,111 0.815,112 3.011,113 1.048,114 -3.95,115 -3.9,116 -3.7,120 40,121 1,122 2,123 1,126 2,143 3,144 1,147 1,153 1,159 1,163 1,168 1,172 1,174 6,175 1,176 1,177 6,180 1,182 1,185 6,186 2,189 5,194 2,197 3,198 1,201 7,206 1,209 3,210 1,214 4,215 1,219 1,222 1,226 1,227 1,228 1,230 1,235 5,239 1,243 1,247 6,260 4,261 2,264 2,269 2,271 2,272 1,274 375,275 12.671,276 12.671,277 12.671,278 12.671,279 12.671,280 11.442,281 11.956,282 7.33,283 13.015,284 10.36,285 10.36,286 10.36,287 10.36,288 10.36,289 8.403,290 14.972,291 3.502,292 10.976,293 3.466,294 1.615,295 0.843,296 0.707,297 0.707,298 0.707,299 3.688,305 1,306 1,307 1,308 343,309 2.449,312 36.864,313 102.81,316 70.296,320 1.391,321 18.353,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 41,333 160,334 4.524,335 3.581,336 6.399,337 4.011,338 3.093,339 4.453,340 1.437,341 9.977,342 2.88,343 4.029,344 3.192,345 6.013,346 3.708,347 2.751,348 3.465,349 0.8,350 8.586,351 2.599,352 3.721,353 2.757,354 5.758,355 3.47,356 2.495,357 2.938,359 7.653,360 2.419,361 3.305,362 2.273,363 5.029,364 3.157,365 2.193,366 2.364,368 6.027,369 2.089,370 3.025,371 1.883,372 4.432,373 2.453,374 1.531,375 2.276,377 4.342,378 1.395,379 2.806,380 1.538,381 4.248,382 2.327,383 1.37,384 1.828,386 3.752,387 1.294,388 2.466,389 1.346,390 3.775,391 2.073,392 1.132,393 1.447,395 2.828,396 1.044,397 2,398 1.077,399 3.414,400 1.984,401 1,402 1,404 2.275,405 0.983,406 1.894,407 0.519,408 3.141,409 1.294,410 0.392,411 0.583,413 1.024,414 0.346,415 0.925,416 0.357,417 2.563,418 0.785,419 -0.182,420 -0.19,422 -0.408,423 -0.175,424 0.751,425 -0.129,426 2.311,427 0.303,428 -0.666,429 -0.887,431 -1.879,432 -0.628,433 0.581,434 -0.593,435 2,436 0.055,437 -0.905,438 -1,440 -2,441 -0.826,442 0.414,443 -0.784,444 2,445 -0.026,446 -1,447 -1.183,449 -2.633,450 -0.946,451 0.058,452 -0.866,453 1.723,454 -0.049,455 -1,456 -1.363,458 -3,459 -0.974,461 -1.077,462 1.517,463 -0.218,464 -1.178,465 -1.441,467 -3.063,468 -1.122,469 9.3,470 0.489,471 0.541,472 0.028,473 22.25,474 1.171,475 10,476 0.526,477 12.25,478 0.645,479 16.327,480 0.859,481 20.7,482 0.591,483 12.703,484 0.669,485 3.858,486 0.203,487 5.273,488 0.278,489 0.125,491 0.366,496 0.782,497 1.225,498 0.745,499 0.928,500 0.691,501 0.921,502 0.489,503 1.068,504 0.751,505 0.917,506 0.307,507 0.896,508 0.69,509 1.103,510 0.888,511 0.986,512 0.511,513 1.015,514 0.97,515 1.026,516 1.252,517 1.107,518 0.838,519 0.987,520 0.975,521 0.882,522 1.253,523 1.093,524 0.806,525 0.783,526 0.614,527 1.255,528 1.163,529 1.312,530 0.623,531 1.298,532 0.388,533 1.019,534 1.209,535 1.229,536 0.445,537 1.265,538 0.62,539 1.003,540 0.635,541 0.967,542 0.735,543 1.112,544 4.5,545 0.058,546 2.444,547 1.104,548 1.081,549 0.632,550 0.287,551 0.272,552 0.121,553 0.08,554 3260,555 8655,556 2.081,557 45.7,558 4,559 7,562 1,564 4,567 1.6,568 1.932,569 3.084,570 -0.249,572 1,574 1,575 58.222,576 1.663,577 3.514,578 4.286,579 4.422,580 4.422,581 4.422,582 2.55,583 3.432,584 4.217,585 3.178,586 543.451,587 7.171,588 5227.95,589 1,590 1,591 1,592 1,593 179.525,594 1.462,595 4.171,596 0.214,597 0.019,598 0.081,599 0.039,600 0.049,601 0.033,602 0.017,603 0.023,604 0.012,605 0.011,606 0.5,607 0.67,608 1,609 0.868,610 82.063,611 -0.064,612 -0.105,613 0.06,614 0.052,615 -0.054,616 0.037,617 0.23,618 0.033,619 0.156,620 0.063,621 0.268,622 0.065,623 -0.016,624 -0.093,625 0.046,626 -0.011,627 0.073,628 -0.029,629 -0.089,630 -0.028,631 -0.042,632 -0.002,633 -0.03,634 0.017,635 -0.026,636 0.158,637 0.072,638 0.056,639 -0.003,640 0.219,641 0.184,642 -0.192,643 -0.241,644 -0.311,645 0.142,646 -0.336,647 0.176,648 -0.029,649 -0.274,650 -0.247,651 0.012,652 -0.264,653 0.084,654 -0.173,655 0.034,656 -0.166,657 0.023,658 -0.121,659 2.552,660 3.963,661 0.789,662 13.668,663 1.003,664 1.121,665 2.72,666 7.401,667 0.683,668 3.091,669 3.434,670 3.689,671 3.932,672 4.19,673 4.29,674 4.382,675 4.5,676 4.489,677 4.369,678 4.938,679 0.638,680 276.39,681 3.091,682 4.635,683 5.485,684 6.365,685 7.238,686 8.122,687 9.004,688 9.892,689 10.778,690 11.669,691 5.7,697 1,701 1,708 2,709 3,710 1,713 1,714 2,716 10,725 1,732 1,738 35,739 11,740 1,741 21,743 37,744 14,745 7,746 3,747 3,748 1,752 3,753 4,759 1,763 2,764 1,766 2,768 8,769 6,770 1,772 1,778 1,782 1,785 1,786 1,789 16,790 4,791 1,792 5,793 1,797 2,803 0.667,804 2,822 1,823 2,826 1,853 1,855 2,857 1,859 1,862 19,868 1,869 4,874 1,875 1,879 1,886 5.7,888 1,889 1,893 9.833,894 6.517,895 4.083,896 2.261,898 2.156,899 1.323,900 0.96,901 3.439,902 8.842,903 3.332,904 3.937,905 4.526,906 5.132,907 5.68,908 6.09,909 6.498,910 6.849,911 6.817,912 6.836,913 0.833,914 28,915 7.046,917 3.042,918 7.789,919 13.643,921 11.601,924 2.289,925 43.5,926 0.001,929 176.567,930 85.298,931 19.91,933 67.828,935 31.278,936 54.021,937 244.395,938 19.91,939 8.825,940 9.28,941 28.429,942 85.524,943 8.955,944 0.746,945 207.844,947 176.567,948 73.93,949 67.828,950 31.278,952 129.482,953 114.913,956 20.751,957 36.394,958 16.786,959 31.278,960 176.567,961 87.738,962 85.298,965 176.567,966 48.044,967 40.378,969 84.614,970 176.567,971 87.738,972 85.298,973 0.592,974 0.336,975 0.168,976 0.099,977 16,978 7,979 0.054,980 2,981 1,982 1.133,983 3.158,984 141.343,985 0.133,986 15,987 76.711,989 1,993 12.857,994 5.082,995 2.592,996 1.845,997 87.738,998 5.128,999 4.613,1002 1.588,1003 1.347,1005 42.683,1006 349.603,1007 27,1013 10.963,1017 -0.886,1020 35.12,1021 39.242,1022 0.324,1023 0.685,1024 0.836,1025 0.862,1026 0.862,1027 0.862,1028 4.58,1029 1,1030 5.485,1031 2.828,1032 4.111,1033 4.62,1034 1.806,1035 6.29,1036 3.999,1037 5.786,1038 0.392,1039 7.045,1040 2.275,1041 3.761,1042 4.527,1043 0.325,1044 7.159,1045 3.587,1046 7.097,1047 -0.182,1048 8.699,1049 1.024,1050 5.707,1051 6.842,1052 2.301,1053 10.216,1054 5.482,1055 8.442,1056 -0.666,1057 10.406,1058 -0.408,1059 6.133,1060 7.592,1061 0.268,1062 11.878,1063 5.828,1064 9.82,1065 -0.905,1066 12.145,1067 -1.879,1068 7.579,1069 9.418,1070 2.937,1071 14.442,1072 7.231,1073 11.22,1074 -1,1075 13.905,1076 -2,1077 8.356,1078 10.56,1079 0.188,1080 16.439,1081 7.918,1082 12.639,1083 -1,1084 15.682,1085 -2.633,1086 9.598,1087 12.189,1088 3.623,1089 18.824,1090 9.114,1091 3.093,1092 -1.178,1093 17.47,1094 -3,1095 10.544,1096 13.518,1097 0.125,1098 20.973,1099 9.969,1100 2.751,1101 9.977,1102 19.267,1103 -3.063,1104 11.701,1105 15.065,1106 4.331,1107 23.29,1108 11.072,1109 2.495,1110 8.586,1111 21.071,1112 4.453,1113 12.73,1114 16.481,1115 0.082,1116 25.51,1117 12.012,1118 2.193,1119 7.653,1120 22.88,1121 3.465,1122 13.854,1123 17.994,1124 5.048,1125 27.803,1126 13.076,1127 1.531,1128 6.027,1129 24.694,1130 2.938,1131 14.924,1132 19.451,1133 0.054,1134 30.058,1135 14.061,1136 1.37,1137 4.342,1138 26.512,1139 2.364,1140 16.038,1141 20.95,1142 5.769,1143 32.346,1144 15.108,1145 1.132,1146 3.752,1147 28.332,1148 2.276,1149 17.129,1150 22.426,1151 0.035,1152 34.618,1153 16.119,1154 3212,1155 5397,1156 13.929,1157 23.898,1158 32.396,1159 32.799,1160 32.99,1161 31.896,1162 31.913,1163 40.71,1164 4.473,1165 92.926,1166 30.096,1167 5.524,1168 5.581,1169 5.814,1170 5.141,1171 5.093,1172 7.453,1173 2.873,1174 16.606,1175 4.88,1176 9.296,1177 1.543,1178 1.562,1179 1.571,1180 1.519,1181 1.52,1182 1.939,1183 0.213,1184 4.425,1185 1.433,1186 4.076,1187 4.094,1188 4.326,1189 4.056,1190 7.475,1191 4.016,1192 3.836,1193 3.892,1194 3.714,1195 3.711,1196 6.351,1197 3.702,1198 3.48,1199 3.493,1200 3.577,1201 3.372,1202 4.948,1203 3.345,1204 3.217,1205 3.28,1206 3.128,1207 2.985,1208 4.354,1209 2.994,1210 3.111,1211 3.206,1212 2.994,1213 2.941,1214 4.15,1215 2.91,1216 2.996,1217 3.032,1218 2.866,1219 2.889,1220 3.749,1221 2.849,1222 2.788,1223 2.844,1224 2.682,1225 2.538,1226 3.694,1227 2.57,1228 2.59,1229 2.701,1230 2.327,1231 2.312,1232 3.474,1233 2.307,1234 0.215,1235 0.171,1236 0.305,1237 0.191,1238 0.147,1239 4.524,1240 0.212,1241 3.581,1242 0.068,1243 6.399,1244 0.475,1245 4.011,1246 0.137,1247 3.093,1248 4.453,1249 1.437,1250 9.977,1251 2.88,1252 1.915,1253 1.904,1254 2.066,1255 2.022,1256 1.429,1257 2.04,1258 1.852,1259 1.793,1260 1.97,1261 1.981,1262 1.124,1263 1.987,1264 1.354,1265 1.311,1266 1.589,1267 1.557,1268 0.825,1269 1.577,1270 1.153,1271 1.15,1272 1.513,1273 1.43,1274 0.785,1275 1.429,1276 1.142,1277 1.064,1278 1.262,1279 1.376,1280 0.415,1281 1.369,1282 1.061,1283 1.008,1284 1.119,1285 1.196,1286 0.255,1287 1.239,1288 0.77,1289 0.699,1290 1.073,1291 0.99,1292 0.195,1293 1.033,1294 0.556,1295 0.48,1296 0.841,1297 0.884,1299 0.896,1300 3.761,1302 5.094,1303 2.398,1304 6.613,1305 4.727,1306 8.214,1307 6.843,1308 9.856,1310 2.287,1314 9.003,1315 4.506,1320 0.796,1321 2.311,1326 22.347,1327 58.222,1328 122.996,1329 150.015,1330 154.77,1331 154.77,1332 154.77,1333 27.79,1334 6.686,1335 53.43,1336 81.67,1337 17,1338 12.198,1339 3.585,1340 2.807,1341 27.891,1342 57,1343 55,1344 0.255,1345 140.958,1346 236.77,1347 335.698,1348 6014,1350 13.405,1351 0.706,1352 0.611,1353 13.759,1354 11.612,1355 9.131,1356 0.435,1357 0.349,1358 6.52,1359 8.402,1360 6.279,1361 5.198,1362 9.539,1363 7.338,1364 8.589,1365 0.286,1366 0.205,1367 9.231,1368 6.163,1369 7.061,1370 0.181,1371 0.122,1372 7.864,1373 4.757,1374 5.584,1375 0.112,1376 0.069,1377 6.506,1378 3.437,1379 4.675,1380 0.072,1381 0.04,1382 5.526,1383 2.587,1384 0.391,1385 61.007,1386 0.268,1387 18.9,1388 0.721,1389 102,1390 290.036,1391 137.688,1392 300.878,1393 408.22,1394 280,1395 120,1396 283.043,1397 152.147,1398 302.22,1399 446.64,1400 284,1401 6.572}
{0 CHEMBL1518967,1 1.788,2 15.026,3 4.512,4 20.358,5 135.735,6 8.755,7 0.524,8 4.221,9 4.32,10 3.916,11 3.71,12 5.49,13 3.751,14 4.719,15 4.862,16 4.301,17 4.077,18 6.02,19 4.112,20 4.909,21 5.054,22 4.377,23 4.171,24 6.262,25 4.195,26 5.02,27 5.201,28 4.322,29 4.127,30 6.417,31 4.154,32 4.908,33 5.1,34 4.228,35 4.108,36 6.141,37 4.114,38 4.956,39 5.144,40 4.239,41 4.163,42 6.217,43 4.149,44 4.968,45 5.184,46 4.2,47 4.159,48 6.171,49 4.137,50 4.884,51 5.076,52 4.134,53 4.124,54 6.155,55 4.087,56 0.232,57 0.978,58 8.356,59 4.804,60 13.091,61 5.097,62 0.718,63 1.519,64 17.793,65 7.576,66 31.61,67 8.454,68 0.904,69 1.769,70 22.349,71 9.654,72 61.093,73 10.605,74 1.261,75 1.802,76 29.747,77 9.359,78 144.199,79 10.298,80 0.922,81 1.669,82 25.675,83 8.447,84 72.789,85 9.926,86 1.012,87 1.786,88 26.888,89 9.558,90 94.585,91 11.287,92 0.949,93 1.761,94 29.833,95 9.825,96 85.314,97 12.374,98 0.816,99 1.731,100 24.573,101 9.788,102 69.849,103 11.779,104 37,105 60,106 0.285,107 0.642,108 0.772,109 0.846,110 0.862,111 0.862,112 3.668,113 0.812,114 -4.63,115 -4.55,116 -4.28,120 44.1,125 2,126 1,143 10,144 2,145 2,148 1,152 1,153 2,156 1,159 2,160 1,163 1,170 1,174 9,176 7,177 6,180 2,185 8,188 7,189 8,194 1,197 4,200 5,201 10,204 1,206 3,213 2,214 12,217 2,219 4,222 2,226 3,227 17,230 1,232 2,235 4,239 1,240 15,243 1,247 4,251 1,252 6,260 5,263 3,264 10,267 1,271 8,274 3192,275 25.499,276 25.499,277 25.499,278 25.499,279 25.499,280 22.333,281 29.905,282 14.778,283 26.036,284 20.654,285 20.654,286 20.654,287 20.654,288 20.654,289 15.687,290 40.763,291 7.02,292 21.515,293 4.094,294 1.847,295 1.029,296 0.568,297 0.466,298 0.466,299 4.368,308 1246,309 3.808,312 216.93,313 365.029,316 177.867,320 2.079,321 56.193,324 0.5,325 0.67,326 0.67,327 0.2,329 0.67,330 1,331 0.53,332 85.5,333 571,334 4.699,335 3.981,336 7.118,337 4.343,338 3.399,339 4.371,340 1.761,341 12.303,342 3.208,343 4.197,344 3.683,345 6.349,346 3.827,347 2.848,348 3.75,349 1.674,350 9.413,351 2.785,352 4.09,353 3.421,354 6.054,355 3.761,356 2.821,357 3.622,358 1.083,359 8.705,360 2.656,361 4.021,362 3.15,363 5.876,364 3.594,365 2.604,366 3.615,367 0.526,368 7.706,369 2.575,370 3.961,371 2.927,372 5.601,373 3.535,374 2.567,375 3.321,376 0.522,377 7.33,378 2.47,379 3.6,380 2.77,381 5.477,382 3.301,383 2.347,384 2.893,385 0.064,386 7.215,387 2.232,388 3.561,389 2.61,390 5.377,391 3.153,392 2.198,393 2.784,395 6.689,396 2.087,397 3.424,398 2.471,399 5.131,400 3.043,401 2.088,402 2.695,404 6.362,405 1.971,406 3.302,407 2.324,408 4.904,409 2.946,410 2.002,411 2.499,413 5.708,414 1.876,415 3.148,416 2.187,417 4.558,418 2.653,419 1.648,420 2.344,422 4.089,423 1.641,424 2.803,425 1.813,426 4.2,427 2.337,428 1.388,429 1.819,431 3.914,432 1.308,433 2.592,434 1.662,435 3.743,436 2.016,437 1.083,438 1.522,440 2.551,441 1.007,442 2.5,443 1.435,444 3.552,445 2,446 1,447 1.5,449 2.275,450 1,451 2.5,452 1.229,453 3.414,454 2,455 1,456 1.5,458 2.275,459 1,460 2.279,461 1.043,462 3.414,463 1.777,464 0.785,465 1.12,467 1.873,468 0.77,469 17.352,470 0.457,471 1.031,472 0.027,473 53.75,474 1.414,475 27.5,476 0.724,477 26.25,478 0.691,479 29.112,480 0.766,481 40.248,482 0.682,483 48.504,484 1.276,485 11.281,486 0.297,487 7.031,488 0.185,489 0.132,491 0.386,494 1,496 0.71,497 1.279,498 0.623,499 1.127,500 0.545,501 0.91,502 0.71,503 0.874,504 0.71,505 0.846,506 0.568,507 0.782,508 0.914,509 1.224,510 0.922,511 1.198,512 0.885,513 1.1,514 1.241,515 1.006,516 1.141,517 0.931,518 1.279,519 0.972,520 0.973,521 0.89,522 1.04,523 0.86,524 0.866,525 0.919,526 0.942,527 0.982,528 1.096,529 0.985,530 0.924,531 1.058,532 0.854,533 0.867,534 0.96,535 0.812,536 0.77,537 0.872,538 0.807,539 1.007,540 1.068,541 1.113,542 0.86,543 1.157,544 7.5,545 0.22,546 4.667,547 2.694,548 2.891,549 1.372,550 0.92,551 0.726,552 0.619,553 0.403,554 24816,555 83835,556 2.081,557 35.6,559 18,560 1,561 1,562 1,567 1.787,568 1.932,569 3.785,570 -0.296,575 105.506,576 1.788,577 4.035,578 4.853,579 5.315,580 5.416,581 5.416,582 3.21,583 4.932,584 5.216,585 4.039,586 2839.1,587 9.185,588 48866.1,593 347.076,594 1.462,595 5.171,596 0.179,597 0.006,598 0.078,599 0.043,600 0.051,601 0.025,602 0.017,603 0.014,604 0.013,605 0.009,606 0.434,607 0.17,608 0.75,609 0.559,610 213.289,611 -0.051,612 -0.223,613 0.052,614 -0.144,615 -0.052,616 -0.046,617 0.103,618 0.159,619 0.105,620 0.096,621 0.048,622 0.099,623 0.033,624 -0.19,625 -0.047,626 -0.227,627 -0.007,628 -0.186,629 -0.168,630 -0.053,631 -0.152,632 -0.026,633 -0.095,634 -0.066,635 -0.151,636 0.031,637 -0.106,638 0.046,639 -0.081,640 0.009,641 -0.086,642 -0.008,643 -0.156,644 -0.04,645 -0.088,646 -0.103,647 -0.092,648 0.04,649 0.03,650 0.137,651 -0.032,652 0.138,653 -0.016,654 -0.008,655 -0.131,656 -0.119,657 -0.026,658 -0.152,659 2.279,660 5.979,661 0.684,662 48.737,663 1.031,664 1.13,665 3.399,666 11.553,667 0.684,668 3.761,669 4.111,670 4.407,671 4.663,672 4.89,673 5.004,674 5.118,675 5.273,676 5.366,677 5.421,678 8.828,679 0.683,680 516.53,681 3.761,682 5.323,683 6.188,684 7.076,685 7.96,686 8.856,687 9.751,688 10.652,689 11.555,690 12.462,691 10.2,696 1,698 2,699 1,700 1,701 1,709 11,710 1,712 1,714 8,715 1,716 22,726 1,737 1,738 59,739 26,740 2,741 42,743 63,744 26,745 19,746 4,747 8,748 3,752 5,753 6,755 1,757 1,768 23,769 3,772 4,778 3,780 1,781 1,782 3,787 1,788 1,789 21,790 11,791 1,792 12,794 1,797 6,800 1,803 0.8,804 5,822 2,823 3,826 1,855 4,859 2,861 1,862 38,869 1,871 1,872 1,875 2,885 1,886 8.5,889 3,891 2,893 19.667,894 11.476,895 8.25,896 3.233,898 4.225,899 1.501,900 0.996,901 7.094,902 12.659,903 4.06,904 4.659,905 5.232,906 5.776,907 6.192,908 6.463,909 6.792,910 7.195,911 7.573,912 7.921,913 0.9,914 62,915 14.078,917 6.164,918 8.088,919 25.702,921 20.703,924 2.588,925 98.333,929 235.422,930 183.788,931 59.484,933 95.942,934 14.96,936 183.788,937 331.364,938 74.445,939 16.793,940 8.354,941 106.502,942 142.823,943 61.704,944 41.541,945 211.88,947 235.422,948 243.272,949 110.902,952 250.382,953 95.942,956 28.816,957 170.736,958 43.721,960 250.382,961 155.427,962 183.788,965 235.422,966 51.446,967 140.49,968 17.888,969 144.351,970 235.422,971 170.387,972 183.788,973 0.591,974 0.353,975 0.183,976 0.099,977 29,978 14,979 0.127,980 8,981 1,982 1.077,983 4.822,984 372.656,985 0.077,986 26,987 191.421,993 25.392,994 10.616,995 5.259,997 168.488,998 16.911,999 4.438,1001 5.02,1003 2.022,1004 1.582,1005 17.888,1006 589.596,1007 57,1013 37.415,1015 1.511,1016 4.222,1017 -1.648,1020 60.829,1021 66.698,1022 0.304,1023 0.686,1024 0.825,1025 0.903,1026 0.921,1027 0.921,1028 5.311,1029 2.088,1030 6.188,1031 6.689,1032 4.796,1033 5.347,1034 2.718,1035 7.024,1036 4.715,1037 6.528,1038 2.002,1039 7.769,1040 6.362,1041 4.443,1042 5.139,1043 1.404,1044 7.972,1045 4.302,1046 7.84,1047 1.648,1048 9.449,1049 5.708,1050 6.418,1051 7.511,1052 3.478,1053 11.109,1054 6.248,1055 9.187,1056 1.388,1057 11.188,1058 4.089,1059 6.889,1060 8.127,1061 2.647,1062 12.91,1063 6.655,1064 10.564,1065 1.083,1066 12.965,1067 3.914,1068 8.336,1069 9.952,1070 4.421,1071 15.605,1072 8.068,1073 11.964,1074 1,1075 14.771,1076 2.551,1077 9.18,1078 10.958,1079 3.851,1080 17.791,1081 8.847,1082 13.382,1083 1,1084 16.599,1085 2.275,1086 10.441,1087 12.561,1088 5.435,1089 20.351,1090 10.065,1091 3.399,1092 0.785,1093 18.444,1094 2.275,1095 11.467,1096 13.773,1097 5.029,1098 22.717,1099 11.024,1100 2.848,1101 12.303,1102 20.305,1103 1.873,1104 12.667,1105 15.281,1106 6.482,1107 25.236,1108 12.174,1109 2.821,1110 9.413,1111 22.179,1112 4.371,1113 13.782,1114 16.603,1115 6.188,1116 27.681,1117 13.223,1118 2.604,1119 8.705,1120 24.064,1121 3.75,1122 14.97,1123 18.073,1124 7.545,1125 30.189,1126 14.354,1127 2.567,1128 7.706,1129 25.959,1130 3.622,1131 16.131,1132 19.456,1133 7.336,1134 32.669,1135 15.449,1136 2.347,1137 7.33,1138 27.863,1139 3.615,1140 17.322,1141 20.913,1142 8.618,1143 35.175,1144 16.58,1145 2.198,1146 7.215,1147 29.775,1148 3.321,1149 18.507,1150 22.331,1151 8.477,1152 37.671,1153 17.7,1154 23237,1155 42913,1156 27.857,1157 40.335,1158 64.578,1159 67.023,1160 65.767,1161 63.411,1162 63.187,1163 83.565,1164 11.261,1165 185.466,1166 60.735,1167 5.647,1168 5.981,1169 6.715,1170 5.421,1171 5.399,1172 7.371,1173 3.435,1174 20.303,1175 5.208,1176 20.843,1177 1.538,1178 1.596,1179 1.566,1180 1.51,1181 1.504,1182 1.99,1183 0.268,1184 4.416,1185 1.446,1186 4.076,1187 4.124,1188 4.051,1189 3.915,1190 8.201,1191 3.935,1192 3.945,1193 3.956,1194 3.903,1195 3.845,1196 7.445,1197 3.849,1198 3.873,1199 3.903,1200 3.825,1201 3.741,1202 7.432,1203 3.767,1204 3.857,1205 3.87,1206 3.804,1207 3.718,1208 7.411,1209 3.74,1210 3.564,1211 3.63,1212 3.513,1213 3.279,1214 5.059,1215 3.327,1216 3.327,1217 3.38,1218 3.274,1219 3.096,1220 4.963,1221 3.13,1222 3.283,1223 3.374,1224 3.154,1225 3.014,1226 4.811,1227 3.027,1228 3.133,1229 3.15,1230 3.072,1231 2.9,1232 4.624,1233 2.918,1234 0.112,1235 0.095,1236 0.169,1237 0.103,1238 0.081,1239 4.699,1240 0.104,1241 3.981,1242 0.042,1243 7.118,1244 0.293,1245 4.343,1246 0.076,1247 3.399,1248 4.371,1249 1.761,1250 12.303,1251 3.208,1252 1.916,1253 1.887,1254 2.023,1255 2.039,1256 1.18,1257 2.03,1258 1.896,1259 1.875,1260 1.998,1261 1.995,1262 1.078,1263 1.994,1264 1.714,1265 1.675,1266 1.815,1267 1.944,1268 0.914,1269 1.909,1270 1.525,1271 1.508,1272 1.666,1273 1.765,1274 0.735,1275 1.718,1276 1.472,1277 1.402,1278 1.617,1279 1.683,1280 0.714,1281 1.65,1282 1.335,1283 1.33,1284 1.587,1285 1.586,1286 0.657,1287 1.564,1288 1.247,1289 1.155,1290 1.445,1291 1.537,1292 0.379,1293 1.558,1294 1.198,1295 1.131,1296 1.379,1297 1.47,1298 0.368,1299 1.45,1300 4.443,1302 5.784,1303 3.045,1304 7.31,1305 5.352,1306 8.925,1307 7.445,1308 10.593,1310 2.91,1312 13.421,1315 0.178,1317 2.827,1318 5.254,1321 2.272,1326 40.3,1327 105.506,1328 238.082,1329 286.347,1330 313.566,1331 319.566,1332 319.566,1333 86.545,1334 8.434,1335 125.65,1336 125.65,1337 28,1338 12.981,1339 4.755,1340 4,1341 59.253,1342 196,1343 216,1344 0.14,1345 244.166,1346 432.02,1347 587.525,1348 63267,1349 1.7,1350 26.811,1351 0.706,1352 0.534,1353 25.941,1354 20.291,1355 18.313,1356 0.436,1357 0.271,1358 11.114,1359 17.273,1360 10.882,1361 9.027,1362 17.919,1363 11.371,1364 16.774,1365 0.28,1366 0.139,1367 16.152,1368 8.332,1369 14.744,1370 0.182,1371 0.072,1372 14.333,1373 5.793,1374 11.657,1375 0.111,1376 0.036,1377 11.515,1378 3.797,1379 9.235,1380 0.07,1381 0.019,1382 8.944,1383 2.465,1384 0.226,1385 117.342,1386 0.189,1387 34.871,1388 0.37,1389 204,1390 777.347,1391 235.461,1392 709.533,1393 953.68,1394 660,1395 243,1396 702.654,1397 276.181,1398 696.06,1399 1021.82,1400 651,1401 5.427}
{0 CHEMBL1519014,1 1.787,2 8.148,3 2.525,4 6.374,5 92.25,6 10.408,7 0.567,8 3.749,9 3.815,10 3.576,11 3.313,12 5.192,13 3.368,14 4.213,15 4.28,16 3.987,17 3.73,18 5.863,19 3.783,20 4.471,21 4.573,22 4.136,23 3.886,24 5.959,25 3.949,26 4.59,27 4.693,28 4.176,29 3.848,30 6.235,31 3.938,32 4.476,33 4.553,34 4.172,35 3.756,36 6.159,37 3.873,38 4.518,39 4.612,40 4.065,41 3.589,42 6.426,43 3.72,44 4.204,45 4.302,46 3.841,47 3.402,48 5.877,49 3.509,50 4.178,51 4.276,52 3.702,53 3.137,54 6.469,55 3.255,56 0.302,57 0.544,58 2.1,59 2.514,60 38.263,61 2.008,62 0.571,63 0.842,64 3.78,65 4.281,66 106.175,67 3.376,68 0.679,69 1.07,70 7.259,71 5.657,72 103.09,73 4.509,74 1.092,75 1.107,76 11.787,77 6.344,78 207.912,79 4.648,80 0.803,81 1.016,82 6.602,83 5.482,84 130.568,85 3.878,86 1.326,87 0.963,88 12.085,89 5.533,90 268.237,91 3.485,92 0.677,93 0.764,94 6.315,95 4.12,96 104.55,97 3.355,98 1.128,99 0.643,100 9.236,101 4.01,102 236.768,103 3.334,104 41,105 45,106 0.313,107 0.579,108 0.689,109 0.768,110 0.768,111 0.768,112 3.342,113 0.759,114 -4.5,115 -4.43,116 -4.17,120 48.6,143 7,144 4,145 2,146 1,148 1,159 2,167 4,174 9,176 5,177 11,185 11,189 21,197 8,200 3,201 22,209 5,213 4,214 23,222 5,226 9,227 9,235 6,239 8,240 8,247 6,251 12,252 6,260 3,264 6,271 2,274 836,275 17.845,276 17.845,277 17.845,278 17.845,279 17.845,280 15.151,281 19.662,282 10.174,283 18.079,284 14.776,285 14.776,286 14.776,287 14.776,288 14.776,289 10.536,290 22.21,291 4.813,292 15.106,293 3.343,294 1.819,295 1.19,296 0.743,297 0.743,298 0.743,299 4.033,305 1,306 1,307 1,308 472,309 3.317,313 223.113,317 265.956,319 109.957,320 1.064,321 59.405,323 1,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 62,333 220,334 4.795,335 3.964,336 7.164,337 4.412,338 3.423,339 4.711,340 2.612,341 12.521,342 3.385,343 4.272,344 3.778,345 6.532,346 3.885,347 2.923,348 3.881,349 2.612,350 10.205,351 2.805,352 4.219,353 3.777,354 6.085,355 3.721,356 2.744,357 3.789,358 1.349,359 8.714,360 2.682,361 4.004,362 3.334,363 5.883,364 3.482,365 2.517,366 3.576,367 0.8,368 8.019,369 2.423,370 3.709,371 2.986,372 5.761,373 3.296,374 2.283,375 3.132,377 7.426,378 2.3,379 3.66,380 2.548,381 5.406,382 3.159,383 2.174,384 3.051,386 6.617,387 2.135,388 3.194,389 2.078,390 4.865,391 2.727,392 1.743,393 2.457,395 5.057,396 1.712,397 2.962,398 1.94,399 4.028,400 2.279,401 1.284,402 2.057,404 3.036,405 1.272,406 2.859,407 1.678,408 3.97,409 2.251,410 1.239,411 1.949,413 2.988,414 1.25,415 2.769,416 1.627,417 3.652,418 2.151,419 1.152,420 1.847,422 2.846,423 1.151,424 2.5,425 1.323,426 3.618,427 1.958,428 1,429 1.5,431 2.136,432 0.956,433 2.275,434 1,435 3.247,436 1.691,437 0.648,438 1.009,440 1.773,441 0.67,442 1.535,443 1,444 3.245,445 1.079,446 0.06,447 0.08,449 0.165,450 0.06,451 1.145,452 1,453 2.796,454 0.651,455 -0.362,456 -0.535,458 -1.079,459 -0.365,460 1.13,461 0.916,462 2.606,463 0.627,464 -0.381,465 -0.566,467 -1.124,468 -0.382,469 12.1,470 0.448,471 0.878,472 0.033,473 43.75,474 1.62,475 25.5,476 0.944,477 18.25,478 0.676,479 15.632,480 0.579,481 27.5,482 0.786,483 36.922,484 1.367,485 8.722,486 0.323,487 4.158,488 0.154,489 0.165,491 0.471,496 0.371,497 0.999,498 0.472,499 0.786,500 0.51,501 0.743,502 0.446,503 1.002,504 0.598,505 0.917,506 0.448,507 0.884,508 0.8,509 1.148,510 0.787,511 1.079,512 0.649,513 0.967,514 1.173,515 1.001,516 1.03,517 0.909,518 1.134,519 0.884,520 1.084,521 1.231,522 0.841,523 1.28,524 1.07,525 1.066,526 1.357,527 0.892,528 1.258,529 0.835,530 1.431,531 0.923,532 0.916,533 1.029,534 0.911,535 1.184,536 1.121,537 1.122,538 0.725,539 0.813,540 1.109,541 0.915,542 0.698,543 1.115,544 5.5,545 0.049,546 3.333,547 2.563,548 2.867,549 1.514,550 0.937,551 0.842,552 0.193,553 0.089,554 7136,555 30412,556 2.053,557 22.9,559 7,561 1,567 1.712,568 1.862,569 2.996,570 -0.623,572 1,575 62.528,576 1.787,577 3.311,578 3.939,579 4.386,580 4.386,581 4.386,582 2.272,583 3.792,584 4.726,585 3.131,586 1099.08,587 8.269,588 13279.4,589 1,590 1,592 1,593 179.525,594 1.53,595 4.656,596 0.183,597 0.012,598 0.074,599 0.049,600 0.055,601 0.03,602 0.022,603 0.024,604 0.007,605 0.007,606 0.464,607 0.33,608 0.88,609 0.936,610 128.488,611 0.219,612 0.092,613 0.058,614 0.109,615 0.004,616 0.013,617 0.217,618 0.035,619 0.015,620 0.012,621 0.174,622 -0.069,623 -0.104,624 -0.136,625 0.014,626 -0.127,627 -0.001,628 -0.024,629 -0.205,630 -0.038,631 -0.057,632 0.07,633 -0.153,634 0.096,635 -0.155,636 -0.241,637 -0.029,638 -0.347,639 -0.135,640 -0.212,641 -0.111,642 0.06,643 -0.179,644 0.133,645 -0.129,646 0.016,647 0.061,648 -0.025,649 0.033,650 -0.246,651 -0.162,652 -0.2,653 0.607,654 0.104,655 0.124,656 0.084,657 0.69,658 -0.081,659 2.705,660 5.916,661 0.704,662 20.697,663 1.061,664 1.117,665 3.275,666 10.725,667 0.722,668 3.434,669 3.829,670 4.174,671 4.522,672 4.89,673 5.1,674 5.352,675 5.501,676 5.638,677 5.656,678 5.105,679 0.755,680 364.29,681 3.434,682 5.017,683 5.911,684 6.836,685 7.758,686 8.694,687 9.628,688 10.569,689 11.509,690 12.452,691 11.4,698 1,701 1,702 2,708 2,709 8,710 1,714 5,716 17,731 2,738 35,739 23,740 2,741 30,743 38,744 17,745 15,746 6,747 4,748 2,752 4,753 8,768 17,772 6,775 2,778 6,782 2,785 1,786 1,789 8,790 8,792 10,797 4,800 1,803 0.5,804 6,816 1,823 4,827 3,829 1,855 2,862 27,875 1,886 17.1,889 2,892 4,893 14.5,894 6.717,895 5.778,896 1.979,898 3.591,899 1.455,900 1.004,901 3.686,902 11.483,903 3.818,904 4.5,905 5.13,906 5.793,907 6.486,908 6.964,909 7.516,910 7.943,911 8.343,912 8.681,913 0.667,914 52,915 10.092,917 4.748,918 8.537,919 17.595,921 14.678,924 3.037,925 82,929 94.169,930 104.149,931 31.25,933 151.784,936 104.149,937 245.952,938 31.25,939 11.34,940 3.124,941 66.334,942 88.256,943 26.078,944 2.328,945 82.398,946 101.494,947 94.169,948 135.399,949 151.784,952 94.169,953 50.29,954 101.494,956 12.172,957 95.102,958 28.126,960 94.169,961 183.034,962 104.149,965 94.169,966 28.768,967 89.846,969 168.569,970 94.169,971 183.034,972 104.149,973 0.599,974 0.36,975 0.198,976 0.124,977 24,978 12,979 0.079,980 3,981 3,982 1.263,983 3.568,984 257.295,985 0.316,986 18,987 106.382,993 16.763,994 5.938,995 2.531,996 0.221,997 171.694,998 10.277,999 3.972,1003 -0.978,1006 381.351,1007 44.5,1010 -1.41,1013 70.731,1017 -1.567,1020 37.138,1021 39.08,1022 0.348,1023 0.645,1024 0.768,1025 0.855,1026 0.855,1027 0.855,1028 5.077,1029 1.284,1030 5.943,1031 5.057,1032 4.511,1033 5.187,1034 3.339,1035 6.851,1036 4.473,1037 6.339,1038 1.239,1039 7.567,1040 3.036,1041 4.29,1042 5.231,1043 3.025,1044 7.932,1045 4.231,1046 7.692,1047 1.152,1048 9.291,1049 2.988,1050 6.196,1051 7.502,1052 4.891,1053 11.104,1054 6.115,1055 9.079,1056 1,1057 11.073,1058 2.846,1059 6.758,1060 8.324,1061 5.203,1062 12.991,1063 6.659,1064 10.495,1065 0.648,1066 12.89,1067 2.136,1068 8.192,1069 10.119,1070 6.653,1071 15.713,1072 8.074,1073 11.932,1074 0.06,1075 14.732,1076 1.773,1077 9.102,1078 11.299,1079 7.251,1080 17.951,1081 8.971,1082 13.387,1083 -0.362,1084 16.591,1085 0.165,1086 10.37,1087 12.918,1088 8.491,1089 20.527,1090 10.223,1091 3.423,1092 -0.381,1093 18.465,1094 -1.079,1095 11.441,1096 14.275,1097 9.242,1098 22.922,1099 11.285,1100 2.923,1101 12.521,1102 20.351,1103 -1.124,1104 12.655,1105 15.829,1106 10.364,1107 25.453,1108 12.488,1109 2.744,1110 10.205,1111 22.247,1112 4.711,1113 13.801,1114 17.275,1115 11.202,1116 27.917,1117 13.626,1118 2.517,1119 8.714,1120 24.151,1121 3.881,1122 15.004,1123 18.81,1124 12.257,1125 30.436,1126 14.82,1127 2.283,1128 8.019,1129 26.062,1130 3.789,1131 16.186,1132 20.302,1133 13.145,1134 32.932,1135 15.995,1136 2.174,1137 7.426,1138 27.981,1139 3.576,1140 17.391,1141 21.835,1142 14.161,1143 35.45,1144 17.192,1145 1.743,1146 6.617,1147 29.905,1148 3.132,1149 18.592,1150 23.351,1151 15.079,1152 37.961,1153 18.385,1154 6974,1155 14528,1156 19.422,1157 25.273,1158 46.935,1159 51.097,1160 48.914,1161 46.442,1162 46.381,1163 66.082,1164 14.748,1165 143.005,1166 45.603,1167 5.698,1168 5.964,1169 6.966,1170 5.453,1171 5.423,1172 7.711,1173 4.612,1174 20.521,1175 5.385,1176 15.715,1177 1.565,1178 1.703,1179 1.63,1180 1.548,1181 1.546,1182 2.203,1183 0.492,1184 4.767,1185 1.52,1186 4.181,1187 4.196,1188 4.163,1189 4.103,1190 7.818,1191 4.112,1192 3.862,1193 3.904,1194 3.816,1195 3.737,1196 7.812,1197 3.747,1198 3.793,1199 3.815,1200 3.782,1201 3.515,1202 7.444,1203 3.559,1204 3.608,1205 3.622,1206 3.596,1207 3.316,1208 7.411,1209 3.367,1210 3.331,1211 3.347,1212 3.304,1213 2.94,1214 6.999,1215 3.046,1216 3.2,1217 3.199,1218 3.175,1219 2.854,1220 6.999,1221 2.946,1222 2.855,1223 2.911,1224 2.753,1225 2.747,1226 4.891,1227 2.742,1228 2.763,1229 2.841,1230 2.716,1231 2.569,1232 4.778,1233 2.579,1234 0.16,1235 0.132,1236 0.239,1237 0.147,1238 0.114,1239 4.795,1240 0.157,1241 3.964,1242 0.087,1243 7.164,1244 0.417,1245 4.412,1246 0.113,1247 3.423,1248 4.711,1249 2.612,1250 12.521,1251 3.385,1252 2.118,1253 2.106,1254 2.159,1255 2.219,1256 1.346,1257 2.194,1258 1.815,1259 1.776,1260 1.929,1261 1.967,1262 0.943,1263 1.952,1264 1.605,1265 1.58,1266 1.674,1267 1.947,1268 0.732,1269 1.838,1270 1.403,1271 1.386,1272 1.454,1273 1.75,1274 0.51,1275 1.641,1276 1.081,1277 1.062,1278 1.132,1279 1.462,1280 0.196,1281 1.389,1282 0.973,1283 0.971,1284 1.118,1285 1.322,1286 0.057,1287 1.255,1288 0.865,1289 0.812,1290 1.03,1291 1.026,1293 1.062,1294 0.728,1295 0.658,1296 0.95,1297 0.96,1299 0.971,1300 4.111,1302 5.485,1304 7.071,1306 8.762,1308 10.515,1321 0.755,1326 26.428,1327 62.528,1328 115.873,1329 137.873,1330 153.525,1331 153.525,1332 153.525,1333 78.705,1334 7.892,1335 143.6,1336 143.6,1337 24,1338 12.946,1339 4.585,1340 3.954,1341 39.687,1342 88,1343 80,1344 0.245,1345 160.293,1346 285.58,1347 382.874,1348 25502,1350 19.292,1351 0.715,1352 0.495,1353 19.292,1354 13.357,1355 12.88,1356 0.429,1357 0.253,1358 7.433,1359 12.1,1360 7.36,1361 6.038,1362 12.88,1363 7.586,1364 12.31,1365 0.274,1366 0.127,1367 12.31,1368 5.733,1369 10.539,1370 0.165,1371 0.065,1372 10.539,1373 4.186,1374 9.057,1375 0.1,1376 0.034,1377 9.057,1378 3.06,1379 8.167,1380 0.062,1381 0.017,1382 8.167,1383 2.254,1384 0.363,1385 83.186,1386 0.227,1387 24.774,1388 0.751,1389 150,1390 616.994,1391 171.639,1392 583.252,1393 765.45,1394 532,1395 184,1396 562.693,1397 205.618,1398 553.966,1399 811.24,1400 518,1401 4.865}
{0 CHEMBL1519374,1 1.727,2 8.652,3 2.997,4 8.982,5 90.698,6 9.811,7 0.615,8 3.654,9 3.742,10 3.45,11 3.316,12 4.919,13 3.319,14 4.118,15 4.214,16 3.859,17 3.72,18 5.386,19 3.714,20 4.367,21 4.5,22 4.038,23 3.807,24 5.752,25 3.794,26 4.367,27 4.513,28 3.935,29 3.694,30 5.804,31 3.673,32 4.212,33 4.364,34 3.76,35 3.529,36 5.717,37 3.498,38 4.026,39 4.16,40 3.578,41 3.423,42 5.391,43 3.38,44 3.91,45 4.047,46 3.486,47 3.31,48 5.303,49 3.284,50 3.785,51 3.926,52 3.381,53 3.181,54 5.194,55 3.15,56 0.103,57 0.467,58 3.148,59 2.345,60 7.847,61 2.345,62 0.146,63 0.723,64 5.435,65 3.981,66 16.377,67 4.048,68 0.374,69 0.897,70 11.656,71 5.649,72 38.99,73 5.958,74 0.465,75 0.877,76 14.422,77 6.017,78 54.042,79 6.067,80 0.466,81 0.73,82 13.633,83 5.334,84 72.721,85 5.253,86 0.344,87 0.587,88 13.976,89 4.363,90 41.94,91 3.896,92 0.304,93 0.531,94 10.703,95 3.855,96 40.564,97 3.912,98 0.236,99 0.489,100 6.548,101 3.235,102 22.416,103 3.604,104 10,105 38,106 0.311,107 0.626,108 0.757,109 0.865,110 0.875,111 0.897,112 3.19,113 0.844,114 -3.88,115 -3.83,116 -3.64,120 51.5,139 2,143 7,144 3,145 1,147 1,152 1,158 2,170 1,174 8,177 4,182 3,185 9,189 6,192 1,194 5,197 5,201 6,204 2,206 4,209 2,213 1,214 4,218 1,219 2,222 6,227 3,232 1,235 7,239 1,240 4,247 8,251 1,252 3,255 1,257 2,260 6,264 2,267 1,269 2,271 3,274 673,275 15.637,276 15.637,277 15.637,278 15.637,279 15.637,280 13.33,281 9.43,282 8.982,283 15.789,284 12.791,285 12.791,286 12.791,287 12.791,288 12.791,289 9.228,290 13.57,291 4.228,292 13.07,293 3.317,294 1.565,295 0.838,296 0.242,297 0.182,298 0.061,299 3.886,303 1,305 1,306 1,307 1,308 444,309 2.345,312 47.594,313 156.576,316 80.647,317 90.818,320 1.233,321 29.569,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 49.833,333 199,334 4.653,335 3.846,336 6.948,337 4.29,338 3.298,339 4.369,340 0.4,341 11.605,342 3.268,343 4.422,344 3.399,345 6.199,346 3.921,347 2.939,348 4.247,350 9.275,351 2.883,352 3.939,353 2.972,354 6.035,355 3.496,356 2.526,357 3.421,359 8.468,360 2.474,361 3.698,362 2.741,363 5.857,364 3.352,365 2.351,366 3.012,368 7.602,369 2.297,370 3.557,371 2.366,372 5.224,373 3.119,374 2.14,375 2.885,377 6.485,378 2.073,379 3.034,380 2.202,381 4.368,382 2.515,383 1.534,384 2.301,386 4.213,387 1.502,388 2.961,389 1.534,390 4.1,391 2.46,392 1.464,393 2.136,395 3.191,396 1.447,397 2.602,398 1.415,399 3.885,400 2.109,401 1.146,402 1.647,404 2.948,405 1.09,406 2.555,407 1.35,408 3.485,409 2.05,410 1.073,411 1.55,413 2.452,414 1.042,415 2.319,416 1.26,417 3.437,418 1.686,419 0.637,420 0.967,422 1.604,423 0.656,424 1.977,425 1.081,426 3.189,427 1.473,428 0.505,429 0.728,431 1.203,432 0.462,433 1.622,434 0.484,435 3.005,436 1.202,437 0.312,438 0.394,440 0.771,441 0.245,442 0.929,443 -0.031,444 2.667,445 0.516,446 -0.436,447 -0.552,449 -1.185,450 -0.39,451 0.903,452 -0.129,453 2.248,454 0.421,455 -0.612,456 -0.887,458 -1.425,459 -0.604,460 0.609,461 -0.619,462 2,463 0.126,464 -0.885,465 -1.282,467 -2.127,468 -0.855,469 11.081,470 0.482,471 0.61,472 0.027,473 33.75,474 1.467,475 19,476 0.826,477 14.75,478 0.641,479 14.831,480 0.645,481 22.519,482 0.682,483 24.193,484 1.052,485 6.812,486 0.296,487 4.336,488 0.189,489 0.125,491 0.406,496 0.604,497 0.854,498 0.515,499 0.678,500 0.53,501 0.656,502 0.703,503 1.163,504 0.623,505 0.917,506 0.632,507 0.865,508 0.753,509 1.091,510 0.759,511 1.039,512 0.785,513 0.962,514 1.152,515 1.044,516 1.03,517 1.087,518 1.248,519 1.046,520 1.387,521 0.868,522 1.152,523 0.876,524 1.391,525 0.916,526 1.702,527 0.856,528 1.845,529 1.064,530 1.522,531 1.05,532 1.187,533 0.904,534 1.241,535 1.018,536 1.293,537 0.969,538 0.687,539 1.128,540 0.795,541 1.105,542 0.878,543 1.095,544 4,545 0.019,546 3.111,547 2.132,548 1.817,549 0.719,550 0.491,551 0.323,552 0.225,553 0.097,554 5615,555 18190,556 2.141,557 30.3,559 7,560 1,562 2,567 1.659,568 2,569 3.105,570 0.321,572 1,574 1,575 57.004,576 1.727,577 3.479,578 4.206,579 4.802,580 4.863,581 4.984,582 2.496,583 4.35,584 4.5,585 3.228,586 816.559,587 7.756,588 8942.11,589 1,590 1,591 1,592 1,593 166.465,594 1.422,595 4.454,596 0.154,597 0.003,598 0.082,599 0.053,600 0.053,601 0.026,602 0.02,603 0.014,604 0.011,605 0.008,606 0.425,607 0.5,608 1,609 0.58,610 105.596,611 -0.027,612 0.184,613 -0.002,614 0.103,615 -0.059,616 0.078,617 -0.066,618 -0.17,619 -0.021,620 -0.097,621 -0.055,622 -0.08,623 0.138,624 -0.112,625 0.113,626 -0.117,627 0.086,628 -0.05,629 0.004,630 -0.085,631 0.011,632 -0.101,633 -0.017,634 -0.081,635 -0.091,636 0.075,637 0.005,638 0.157,639 0.038,640 0.086,641 -0.433,642 0.085,643 -0.417,644 -0.03,645 -0.284,646 -0.101,647 -0.062,648 0.031,649 -0.115,650 -0.02,651 -0.118,652 -0.007,653 0.25,654 -0.168,655 0.087,656 -0.158,657 0.079,658 -0.144,659 2.023,660 5.612,661 0.826,662 15.032,663 1.025,664 1.107,665 2.646,666 7,667 0.752,668 3.296,669 3.664,670 4.007,671 4.29,672 4.511,673 4.564,674 4.663,675 4.796,676 4.852,677 4.868,678 5.21,679 0.74,680 323.75,681 3.296,682 4.86,683 5.746,684 6.648,685 7.547,686 8.451,687 9.354,688 10.26,689 11.164,690 12.071,691 9.1,696 1,699 1,701 1,708 2,709 8,710 1,711 1,714 3,716 16,721 2,729 1,738 33,739 19,740 2,741 26,743 36,744 17,745 13,746 5,747 7,748 4,749 1,752 4,753 6,754 1,768 17,771 1,772 3,778 2,782 4,785 1,786 1,789 10,790 4,791 2,792 6,793 1,797 3,803 0.5,804 2,814 1,822 1,823 3,826 1,827 1,845 2,855 2,860 1,862 23,871 1,885 1,886 6.1,889 2,893 11.5,894 6.093,895 4.944,896 1.893,898 3.601,899 1.487,900 1.062,901 3.204,902 10.989,903 3.638,904 4.301,905 4.967,906 5.56,907 6.063,908 6.343,909 6.73,910 7.121,911 7.319,912 7.609,913 0.833,914 40,915 8.512,917 3.841,918 7.983,919 15.72,921 13.241,924 2.483,925 57.111,929 94.169,930 105.75,931 51.337,932 39.149,933 50.29,936 105.75,937 183.607,938 51.337,941 75.381,942 101.488,943 30.508,944 11.771,945 82.398,946 39.149,947 94.169,948 157.087,949 50.29,950 39.149,952 94.169,953 50.29,956 18.807,957 97.349,958 80.08,960 94.169,961 101.627,962 144.899,965 94.169,966 30.369,967 75.381,968 34.674,969 106.102,970 94.169,971 101.627,972 144.899,973 0.594,974 0.37,975 0.204,976 0.106,977 21,978 9,979 0.056,980 2,981 2,982 1.211,983 3.483,984 196.551,985 0.211,986 19,987 104.042,993 14.036,994 5.25,995 2.228,996 1.703,997 84.964,998 13.862,999 4.095,1000 2.769,1003 1.319,1005 34.674,1006 340.695,1007 37,1013 24.946,1017 -0.668,1020 33.818,1021 36.519,1022 0.342,1023 0.69,1024 0.834,1025 0.952,1026 0.964,1027 0.988,1028 4.883,1029 1.146,1030 5.753,1031 3.191,1032 4.344,1033 4.987,1034 0.278,1035 6.621,1036 4.304,1037 6.127,1038 1.073,1039 7.352,1040 2.948,1041 4.007,1042 4.868,1044 7.618,1045 3.951,1046 7.464,1047 0.637,1048 9.053,1049 2.452,1050 5.994,1051 7.272,1052 0.05,1053 10.769,1054 5.929,1055 8.84,1056 0.505,1057 10.813,1058 1.604,1059 6.494,1060 7.994,1062 12.573,1063 6.413,1064 10.248,1065 0.312,1066 12.609,1067 1.203,1068 7.951,1069 9.848,1070 0.008,1071 15.255,1072 7.863,1073 11.679,1074 -0.436,1075 14.431,1076 0.771,1077 8.819,1078 10.956,1080 17.396,1081 8.72,1082 13.128,1083 -0.612,1084 16.27,1085 -1.185,1086 10.083,1087 12.588,1088 0.001,1089 19.924,1090 9.977,1091 3.298,1092 -0.885,1093 18.122,1094 -1.425,1095 11.119,1096 13.88,1098 22.221,1099 11.003,1100 2.939,1101 11.605,1102 19.985,1103 -2.127,1104 12.315,1105 15.416,1107 24.695,1108 12.192,1109 2.526,1110 9.275,1111 21.857,1112 4.369,1113 13.425,1114 16.797,1116 27.068,1117 13.294,1118 2.351,1119 8.468,1120 23.736,1121 4.247,1122 14.601,1123 18.291,1125 29.523,1126 14.463,1127 2.14,1128 7.602,1129 25.622,1130 3.421,1131 15.747,1132 19.714,1134 31.933,1135 15.601,1136 1.534,1137 6.485,1138 27.513,1139 3.012,1140 16.919,1141 21.191,1143 34.383,1144 16.766,1145 1.464,1146 4.213,1147 29.409,1148 2.885,1149 18.082,1150 22.634,1152 36.812,1153 17.921,1154 5250,1155 9572,1156 17.512,1157 24.83,1158 40.524,1159 42.695,1160 41.312,1161 39.899,1162 39.852,1163 55.318,1164 0.8,1165 119.635,1166 38.878,1167 5.538,1168 5.846,1169 6.627,1170 5.328,1171 5.298,1172 7.369,1173 0.8,1174 19.605,1175 5.268,1176 9.703,1177 1.559,1178 1.642,1179 1.589,1180 1.535,1181 1.533,1182 2.128,1183 0.031,1184 4.601,1185 1.495,1186 4.103,1187 4.141,1188 4.102,1189 4.004,1190 7.436,1191 4.014,1192 3.997,1193 4.011,1194 4.01,1195 3.926,1196 7.419,1197 3.931,1198 3.577,1199 3.619,1200 3.682,1201 3.464,1202 5.099,1203 3.468,1204 3.36,1205 3.41,1206 3.355,1207 3.179,1208 4.791,1209 3.198,1210 3.129,1211 3.122,1212 3.151,1213 2.938,1214 4.639,1215 2.967,1216 2.932,1217 2.993,1218 2.992,1219 2.794,1220 4.419,1221 2.791,1222 2.775,1223 2.825,1224 2.813,1225 2.663,1226 3.901,1227 2.656,1228 2.678,1229 2.717,1230 2.579,1231 2.469,1232 3.671,1233 2.486,1234 0.179,1235 0.148,1236 0.267,1237 0.165,1238 0.127,1239 4.653,1240 0.168,1241 3.846,1242 0.015,1243 6.948,1244 0.446,1245 4.29,1246 0.126,1247 3.298,1248 4.369,1249 0.4,1250 11.605,1251 3.268,1252 1.986,1253 1.974,1254 2.05,1255 2.07,1256 1.173,1257 2.064,1258 1.909,1259 1.889,1260 1.994,1261 1.98,1262 1.121,1263 1.986,1264 1.496,1265 1.476,1266 1.574,1267 1.702,1268 0.663,1269 1.663,1270 1.35,1271 1.269,1272 1.492,1273 1.612,1274 0.464,1275 1.596,1276 1.034,1277 1.02,1278 1.192,1279 1.255,1280 0.234,1281 1.217,1282 0.961,1283 0.917,1284 1.13,1285 1.157,1286 0.195,1287 1.142,1288 0.795,1289 0.731,1290 1.057,1291 1.006,1292 0.086,1293 1.038,1294 0.646,1295 0.606,1296 0.818,1297 0.868,1299 0.845,1300 3.97,1302 5.323,1303 2.398,1304 6.884,1305 4.595,1306 8.545,1307 6.581,1308 10.259,1311 6.128,1317 2.957,1326 24.429,1327 57.004,1328 114.814,1329 138.814,1330 158.465,1331 160.465,1332 164.465,1333 41.661,1334 7.388,1335 74.85,1336 74.85,1337 23,1338 12.588,1339 4.322,1340 3.585,1341 31.798,1342 71,1343 64,1344 0.22,1345 151.701,1346 259.91,1347 361.91,1348 15725,1349 3,1350 15.974,1351 0.695,1352 0.544,1353 16.474,1354 12.516,1355 11.148,1356 0.429,1357 0.281,1358 6.891,1359 10.551,1360 6.742,1361 5.545,1362 11.437,1363 7.315,1364 10.219,1365 0.269,1366 0.146,1367 10.553,1368 5.555,1369 9.409,1370 0.174,1371 0.076,1372 9.886,1373 4.128,1374 7.898,1375 0.11,1376 0.04,1377 8.241,1378 2.848,1379 6.313,1380 0.07,1381 0.021,1382 6.6,1383 1.915,1384 0.335,1385 72.58,1386 0.239,1387 22.156,1388 0.632,1389 128,1390 403.985,1391 152.889,1392 424.653,1393 570.63,1394 394,1395 156,1396 399.559,1397 181.253,1398 415.51,1399 614.28,1400 392,1401 5.266}
{0 CHEMBL1520176,1 1.494,2 12.216,3 6.601,4 43.575,5 148.109,6 7.198,7 0.659,8 4.327,9 4.453,10 3.874,11 3.861,12 5.423,13 3.835,14 4.857,15 5.04,16 4.22,17 4.254,18 5.854,19 4.206,20 5.102,21 5.31,22 4.262,23 4.402,24 6.017,25 4.316,26 5.296,27 5.55,28 4.321,29 4.462,30 6.181,31 4.37,32 5.322,33 5.554,34 4.4,35 4.525,36 6.26,37 4.45,38 5.457,39 5.706,40 4.458,41 4.588,42 6.42,43 4.504,44 5.409,45 5.637,46 4.527,47 4.585,48 6.457,49 4.513,50 5.44,51 5.692,52 4.41,53 4.578,54 6.436,55 4.482,56 0.113,57 1.04,58 14.775,59 6.374,60 16.813,61 8.479,62 0.276,63 1.663,64 27.071,65 10.276,66 29.15,67 14.373,68 0.337,69 2.027,70 35.702,71 13.175,72 36.769,73 18.757,74 0.574,75 2.381,76 45.935,77 14.389,78 57.09,79 21.571,80 0.476,81 2.481,82 46.179,83 14.266,84 55.787,85 21.103,86 0.723,87 2.682,88 54.727,89 16.764,90 86.969,91 24.611,92 0.874,93 2.593,94 51.28,95 16.663,96 91.902,97 23.987,98 0.774,99 2.625,100 53.96,101 17.002,102 98.031,103 24.778,104 18,105 57,106 0.232,107 0.565,108 0.758,109 0.843,110 0.863,111 0.863,112 3.643,113 0.925,114 -5.84,115 -5.7,116 -5.31,120 42,121 3,122 1,123 1,126 3,128 1,143 11,144 4,147 1,148 1,152 1,153 1,162 1,167 3,174 17,176 3,177 8,180 1,182 1,185 16,188 3,189 12,194 1,197 12,200 3,201 14,204 1,206 2,209 7,214 16,219 3,222 8,226 2,227 20,232 2,235 11,239 5,240 21,243 3,245 3,247 12,251 2,252 13,255 2,257 1,260 15,264 11,269 1,271 20,274 2947,275 25.206,276 25.206,277 25.206,278 25.206,279 25.206,280 21.872,281 23.263,282 15.004,283 25.487,284 20.271,285 20.271,286 20.271,287 20.271,288 20.271,289 15.432,290 27.65,291 7.138,292 20.775,293 4.614,294 2.472,295 1.233,296 0.681,297 0.555,298 0.555,299 4.346,307 1,308 989,309 4.183,312 225.611,313 345.794,317 185.247,320 1.855,321 27.037,324 0.75,325 0.5,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.77,332 79,333 452,334 4.558,335 3.502,336 6.856,337 4.158,338 3.205,339 4.5,340 1.057,341 11.379,342 3.062,343 4.389,344 3.205,345 6.526,346 4.062,347 3.088,348 3.925,349 0.359,350 10.253,351 3.001,352 4,353 2.92,354 5.997,355 3.656,356 2.692,357 3.502,358 0.359,359 8.526,360 2.601,361 3.915,362 2.766,363 5.817,364 3.526,365 2.543,366 3.45,368 7.876,369 2.513,370 3.892,371 2.716,372 5.395,373 3.51,374 2.513,375 3.441,377 7.041,378 2.492,379 3.631,380 2.504,381 5.327,382 3.349,383 2.375,384 2.777,386 6.864,387 2.304,388 3.391,389 2.094,390 5.041,391 2.938,392 1.953,393 2.774,395 5.729,396 1.923,397 3.033,398 2.046,399 4.81,400 2.805,401 1.851,402 2.23,404 5.056,405 1.756,406 2.942,407 1.664,408 4.324,409 2.553,410 1.565,411 2.11,413 3.981,414 1.547,415 2.882,416 1.641,417 4.304,418 2.482,419 1.505,420 1.951,422 3.777,423 1.468,424 2.663,425 1.461,426 3.771,427 2.294,428 1.324,429 1.716,431 3.089,432 1.281,433 2.614,434 1.382,435 3.638,436 2.202,437 1.228,438 1.655,440 2.88,441 1.192,442 2.533,443 1.268,444 3.497,445 2.156,446 1.169,447 1.542,449 2.578,450 1.151,451 2.5,452 1.158,453 3.415,454 2.013,455 1.036,456 1.5,458 2.411,459 1.01,460 2.432,461 1,462 3.247,463 2,464 1,465 1.408,467 2.136,468 1,469 17.567,470 0.475,471 0.853,472 0.023,473 47.75,474 1.291,475 24.5,476 0.662,477 23.25,478 0.628,479 37.074,480 1.002,481 39.433,482 0.571,483 39.196,484 1.059,485 9.434,486 0.255,487 8.557,488 0.231,489 0.104,491 0.33,496 0.764,497 1.175,498 0.811,499 1.091,500 0.846,501 0.985,502 0.814,503 1.079,504 0.849,505 0.994,506 0.585,507 0.935,508 0.895,509 1.214,510 1.025,511 1.149,512 0.807,513 1.114,514 1.043,515 1.015,516 1,517 0.927,518 1.067,519 0.94,520 1.337,521 1.129,522 1.123,523 1.016,524 1.055,525 1.02,526 1.401,527 1.003,528 1.043,529 0.909,530 1.515,531 0.92,532 1.152,533 1.086,534 0.963,535 0.985,536 1.017,537 0.961,538 1.321,539 0.909,540 1.046,541 0.882,542 1.424,543 0.918,544 6.5,545 0.256,546 3.778,547 2.472,548 2.199,549 1.511,550 1.015,551 0.847,552 0.526,553 0.395,554 20163,555 48193,556 2.116,557 46.4,558 9,559 18,560 1,562 1,564 3,567 1.789,568 2,569 3.497,570 -0.392,575 103.097,576 1.494,577 3.637,578 4.876,579 5.427,580 5.554,581 5.554,582 3.054,583 4.939,584 5.179,585 3.723,586 2479.48,587 9.164,588 39441.1,593 421.488,594 1.338,595 5.15,596 0.159,597 0.006,598 0.066,599 0.043,600 0.037,601 0.024,602 0.015,603 0.012,604 0.008,605 0.008,606 0.378,607 0.17,608 0.63,609 0.629,610 200.839,611 0.129,612 0.013,613 0.071,614 -0.026,615 0.011,616 0.001,617 0.111,618 0.038,619 0.082,620 0.021,621 0.127,622 0.041,623 0.018,624 -0.157,625 -0.078,626 -0.143,627 -0.037,628 -0.131,629 -0.019,630 0.023,632 0.009,633 -0.079,634 0.009,635 -0.194,636 -0.054,637 -0.13,638 -0.079,639 -0.089,640 -0.086,641 -0.105,642 0.002,643 -0.018,644 0.028,645 -0.113,646 0.021,647 0.188,648 -0.076,649 0.051,650 -0.025,651 0.197,652 -0.012,653 -0.075,654 0.086,655 -0.025,656 0.063,657 -0.028,658 0.032,659 1.627,660 4.917,661 0.703,662 39.62,663 0.996,664 1.128,665 4.609,666 21.245,667 0.664,668 3.738,669 4.06,670 4.344,671 4.625,672 4.804,673 4.905,674 5.043,675 5.176,676 5.313,677 5.357,678 7.314,679 0.629,680 496.67,681 3.738,682 5.283,683 6.138,684 7.018,685 7.891,686 8.778,687 9.658,688 10.549,689 11.434,690 12.327,691 8.7,694 1,699 1,701 4,708 2,709 12,710 4,712 1,714 6,715 1,716 27,734 1,738 69,739 27,740 2,741 41,743 73,744 29,745 20,746 4,747 8,752 5,753 6,759 3,766 2,768 20,769 9,770 1,788 1,789 32,790 7,791 1,792 8,797 6,803 0.8,804 2,816 1,822 2,823 3,827 1,851 1,855 4,859 3,862 37,868 1,869 4,874 2,875 1,886 2.9,888 1,891 1,893 18.5,894 13.233,895 8.111,896 4.23,898 3.982,899 1.495,900 0.967,901 7.638,902 12.022,903 4.016,904 4.63,905 5.212,906 5.787,907 6.211,908 6.459,909 6.817,910 7.202,911 7.609,912 7.744,913 1,914 57,915 13.673,917 5.773,918 7.595,919 26.468,921 21.808,924 2.095,925 77.5,929 364.904,930 173.356,931 71.43,933 52.191,936 173.356,937 417.095,938 71.43,939 26.476,940 8.852,941 115.978,942 111.541,943 28.682,944 17.22,945 353.133,947 364.904,948 244.786,949 52.191,952 329.591,953 87.504,956 44.7,957 133.557,958 66.53,960 364.904,961 123.621,962 173.356,965 364.904,966 30.902,967 147.355,969 118.72,970 364.904,971 123.621,972 173.356,973 0.579,974 0.34,975 0.19,976 0.099,977 27,978 12,979 0.137,980 10,981 1,982 1.077,983 4.616,984 371.8,985 0.077,986 26,987 184.75,993 25.131,994 11.246,995 5.739,996 1.811,997 121.845,998 23.937,999 17.386,1001 5.722,1003 4.681,1004 1.897,1005 42.683,1006 661.881,1007 54.5,1020 68.752,1021 77.806,1022 0.245,1023 0.595,1024 0.798,1025 0.888,1026 0.909,1027 0.909,1028 5.246,1029 1.851,1030 6.116,1031 5.729,1032 4.745,1033 5.318,1034 1.279,1035 6.929,1036 4.693,1037 6.448,1038 1.565,1039 7.673,1040 5.056,1041 4.29,1042 5.037,1043 0.325,1044 7.837,1045 4.193,1046 7.747,1047 1.505,1048 9.333,1049 3.981,1050 6.333,1051 7.515,1052 1.082,1053 10.963,1054 6.221,1055 9.083,1056 1.324,1057 11.055,1058 3.777,1059 6.735,1060 8.115,1061 0.604,1062 12.74,1063 6.57,1064 10.452,1065 1.228,1066 12.82,1067 3.089,1068 8.215,1069 10.013,1070 1.023,1071 15.377,1072 8.032,1073 11.846,1074 1.169,1075 14.613,1076 2.88,1077 9.007,1078 11.039,1079 0.783,1080 17.513,1081 8.771,1082 13.257,1083 1.036,1084 16.427,1085 2.578,1086 10.27,1087 12.693,1088 1.023,1089 19.991,1090 10.009,1091 3.205,1092 1,1093 18.258,1094 2.411,1095 11.246,1096 13.94,1097 0.91,1098 22.281,1099 10.933,1100 3.088,1101 11.379,1102 20.101,1103 2.136,1104 12.425,1105 15.489,1106 1.055,1107 24.708,1108 12.08,1109 2.692,1110 10.253,1111 21.955,1112 4.5,1113 13.487,1114 16.851,1115 1.011,1116 27.065,1117 13.093,1118 2.543,1119 8.526,1120 23.818,1121 3.925,1122 14.636,1123 18.357,1124 1.106,1125 29.478,1126 14.206,1127 2.513,1128 7.876,1129 25.687,1130 3.502,1131 15.74,1132 19.781,1133 1.101,1134 31.866,1135 15.263,1136 2.375,1137 7.041,1138 27.563,1139 3.45,1140 16.881,1141 21.273,1142 1.17,1143 34.278,1144 16.365,1145 1.953,1146 6.864,1147 29.444,1148 3.441,1149 18.006,1150 22.73,1151 1.186,1152 36.681,1153 17.444,1154 18874,1155 29378,1156 27.739,1157 45.841,1158 61.701,1159 61.216,1160 62.291,1161 61.053,1162 61.023,1163 80.866,1164 3.549,1165 174.069,1166 59.482,1167 5.461,1168 5.502,1169 6.658,1170 5.203,1171 5.205,1172 7.5,1173 1.816,1174 18.616,1175 5.062,1176 16.046,1177 1.505,1178 1.493,1179 1.519,1180 1.489,1181 1.488,1182 1.972,1183 0.087,1184 4.246,1185 1.451,1186 4.101,1187 4.134,1188 4.061,1189 4.023,1190 6.475,1191 4.028,1192 3.985,1193 4.037,1194 3.934,1195 3.872,1196 5.212,1197 3.87,1198 3.902,1199 3.927,1200 3.835,1201 3.771,1202 5.072,1203 3.786,1204 3.841,1205 3.88,1206 3.786,1207 3.661,1208 4.899,1209 3.682,1210 3.624,1211 3.693,1212 3.532,1213 3.465,1214 4.748,1215 3.471,1216 3.546,1217 3.598,1218 3.418,1219 3.384,1220 4.309,1221 3.39,1222 3.276,1223 3.354,1224 3.118,1225 3.098,1226 4.217,1227 3.093,1228 3.22,1229 3.304,1230 3.087,1231 3.053,1232 4.025,1233 3.043,1234 0.111,1235 0.085,1236 0.167,1237 0.101,1238 0.078,1239 4.558,1240 0.11,1241 3.502,1242 0.026,1243 6.856,1244 0.278,1245 4.158,1246 0.075,1247 3.205,1248 4.5,1249 1.057,1250 11.379,1251 3.062,1252 2.049,1253 2.028,1254 2.126,1255 2.136,1256 1.333,1257 2.133,1258 1.924,1259 1.892,1260 2.06,1261 2.028,1262 1.257,1263 2.038,1264 1.8,1265 1.746,1266 1.988,1267 1.962,1268 1.22,1269 1.972,1270 1.585,1271 1.539,1272 1.789,1273 1.761,1274 1.003,1275 1.766,1276 1.507,1277 1.472,1278 1.729,1279 1.729,1280 0.908,1281 1.737,1282 1.501,1283 1.426,1284 1.682,1285 1.637,1286 0.83,1287 1.647,1288 1.361,1289 1.332,1290 1.574,1291 1.586,1292 0.645,1293 1.578,1294 1.213,1295 1.144,1296 1.502,1297 1.427,1298 0.571,1299 1.456,1300 4.419,1302 5.74,1303 3.045,1304 7.246,1305 5.209,1306 8.844,1307 7.125,1308 10.494,1310 6.331,1314 10.917,1315 2.493,1320 0.067,1321 2.257,1326 43.406,1327 103.097,1328 250.949,1329 336.415,1330 374.469,1331 383.224,1332 383.224,1333 64.027,1334 8.039,1335 93.1,1336 93.1,1337 28,1338 12.855,1339 4.807,1340 3.858,1341 56.246,1342 153,1343 192,1344 0.167,1345 265.611,1346 445.86,1347 639.85,1348 36078,1350 25.777,1351 0.697,1352 0.58,1353 25.777,1354 21.45,1355 17.991,1356 0.439,1357 0.308,1358 12.485,1359 17.347,1360 12.086,1361 10.105,1362 17.991,1363 12.64,1364 16.18,1365 0.284,1366 0.172,1367 16.18,1368 9.787,1369 13.538,1370 0.178,1371 0.088,1372 13.538,1373 6.72,1374 11.602,1375 0.115,1376 0.049,1377 11.602,1378 4.917,1379 8.854,1380 0.073,1381 0.026,1382 8.854,1383 3.186,1384 0.258,1385 112.399,1386 0.19,1387 33.278,1388 0.473,1389 196,1390 525.756,1391 213.636,1392 515.649,1393 719.64,1394 484,1395 231,1396 554.132,1397 251.108,1398 559.78,1399 811.1,1400 525,1401 4.153}
{0 CHEMBL1520210,1 1.833,2 10.333,3 3.396,4 11.53,5 87.107,6 9.213,7 0.5,8 3.651,9 3.741,10 3.491,11 3.321,12 4.873,13 3.237,14 4.125,15 4.251,16 3.826,17 3.681,18 5.454,19 3.563,20 4.28,21 4.427,22 3.951,23 3.697,24 5.463,25 3.562,26 4.321,27 4.525,28 3.63,29 3.545,30 5.511,31 3.428,32 4.234,33 4.469,34 3.375,35 3.39,36 5.357,37 3.262,38 4.007,39 4.152,40 3.509,41 3.24,42 5.42,43 3.183,44 4,45 4.198,46 3.326,47 3.224,48 5.536,49 3.083,50 3.79,51 3.991,52 3.083,53 3.146,54 4.846,55 2.99,56 0.138,57 0.502,58 5.627,59 3.44,60 5.518,61 3.767,62 0.275,63 0.801,64 14.969,65 6.438,66 44.617,67 6.765,68 0.28,69 0.923,70 21.798,71 7.791,72 33.555,73 7.479,74 0.307,75 0.886,76 20.24,77 7.505,78 34.076,79 8.233,80 0.344,81 0.805,82 22.137,83 7.207,84 50.26,85 7.839,86 0.354,87 0.636,88 12.14,89 4.715,90 47.318,91 4.496,92 0.513,93 0.642,94 16.645,95 5.505,96 87.403,97 5.736,98 0.185,99 0.53,100 14.74,101 5.101,102 27.111,103 5.348,104 18,105 29,106 0.335,107 0.672,108 0.778,109 0.818,110 0.839,111 0.839,112 3.101,113 1.104,114 -3.96,115 -3.91,116 -3.71,120 40,121 1,126 2,143 5,144 2,145 1,152 1,154 1,159 1,167 2,174 7,176 1,177 1,180 1,182 1,185 10,189 5,194 3,197 6,201 5,206 2,209 1,214 3,219 2,222 1,226 1,227 3,230 1,232 2,235 2,239 2,240 1,243 2,247 3,252 2,260 4,264 4,271 5,274 581,275 13.845,276 13.845,277 13.845,278 13.845,279 13.845,280 11.988,281 14.917,282 8.295,283 14.294,284 10.827,285 10.827,286 10.827,287 10.827,288 10.827,289 8.063,290 14.443,291 3.93,292 11.544,293 3.296,294 1.451,295 0.868,296 0.65,297 0.536,298 0.536,299 3.759,305 1,306 1,307 1,308 448,309 3.464,312 68.581,313 78.68,320 1.651,321 25.214,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46,333 217,334 4.402,335 4.491,336 6.412,337 3.875,338 2.979,339 4.12,340 3.359,341 9.767,342 2.654,343 4.016,344 3.783,345 5.426,346 3.627,347 2.633,348 3.615,349 2.612,350 7.192,351 2.617,352 3.672,353 3.534,354 5.064,355 3.338,356 2.351,357 2.975,358 1.74,359 6.123,360 2.308,361 3.525,362 2.806,363 4.891,364 3.054,365 2.063,366 2.829,367 0.558,368 5.629,369 2.046,370 3.386,371 2.641,372 4.812,373 2.865,374 1.917,375 2.653,377 5.132,378 1.796,379 2.665,380 2.375,381 3.666,382 2.074,383 1.283,384 1.715,386 2.886,387 1,388 2.5,389 1.755,390 3.414,391 2,392 1,393 1.5,395 2.275,396 0.993,397 2.324,398 1.212,399 3.284,400 1.693,401 0.764,402 1.158,404 1.765,405 0.698,406 1.913,407 1.045,408 3.236,409 1.646,410 0.729,411 0.849,413 1.739,414 0.653,415 1.652,416 1,417 2.788,418 1.214,419 0.331,420 0.403,422 0.739,423 0.281,424 1.096,425 1,426 2.194,427 0.778,428 -0.215,429 -0.26,431 -0.456,432 -0.211,433 1,434 0.373,435 2,436 0.123,437 -0.785,438 -0.94,440 -1.937,441 -0.659,442 0.552,443 0.218,444 1.777,445 0.005,446 -1,447 -1.226,449 -2,450 -1,451 0.5,452 -0.056,453 1.694,455 -1,456 -1.5,458 -2.517,459 -1,460 0.251,461 -0.594,462 1.507,464 -1,465 -1.676,467 -3,468 -1.011,469 10.467,470 0.498,471 0.527,472 0.025,473 27.5,474 1.31,475 15,476 0.714,477 12.5,478 0.595,479 15.276,480 0.727,481 22.533,482 0.644,483 17.708,484 0.843,485 5.269,486 0.251,487 4.789,488 0.228,489 0.143,491 0.277,496 0.399,497 0.908,498 0.701,499 0.76,500 0.489,501 0.828,502 0.466,503 1.034,504 1.018,505 1.057,506 0.413,507 0.963,508 0.771,509 1.321,510 0.928,511 1.241,512 0.832,513 1.188,514 0.834,515 1.103,516 0.817,517 1.03,518 0.813,519 1.064,520 1.008,521 0.898,522 0.922,523 0.871,524 0.925,525 0.848,526 1.497,527 1.053,528 0.823,529 0.911,530 1.699,531 1.005,532 0.785,533 0.712,534 1.055,535 0.849,536 0.738,537 0.887,538 0.81,539 0.882,540 1.185,541 1.073,542 0.74,543 0.958,544 4.5,545 0.089,546 2.444,547 0.875,548 1.037,549 0.455,550 0.314,551 0.206,552 0.125,553 0.105,554 4653,555 16526,556 1.968,557 40,558 3,559 9,560 1,562 1,567 1.624,568 1.826,569 3.335,570 -0.197,572 1,574 1,575 64.164,576 1.833,577 3.679,578 4.262,579 4.479,580 4.593,581 4.593,582 2.761,583 4.011,584 4.368,585 3.516,586 738.412,587 7.443,588 8336.42,589 1,590 1,591 1,592 1,593 179.525,594 1.461,595 4.311,596 0.205,597 0.007,598 0.084,599 0.034,600 0.047,601 0.024,602 0.017,603 0.013,604 0.009,605 0.008,606 0.446,607 0.33,608 1,609 0.874,610 97.704,611 0.188,612 0.169,613 0.058,614 0.138,615 -0.002,616 0.051,617 0.204,618 0.012,619 -0.011,620 -0.005,621 0.2,622 0.003,623 0.025,624 -0.31,625 0.107,626 -0.202,627 -0.075,628 -0.216,629 0.017,630 -0.177,631 0.063,632 -0.14,633 0.011,634 -0.074,635 -0.075,636 0.029,637 0.046,638 0.06,639 -0.023,640 0.177,641 -0.116,642 -0.097,643 0.006,644 -0.062,645 -0.227,646 -0.137,647 0.349,648 0.282,649 -0.014,650 0.139,651 0.383,652 0.09,653 -0.062,654 0.076,655 -0.092,656 -0.002,657 -0.017,658 0.098,659 2.419,660 4.761,661 0.524,662 16.54,663 1.018,664 1.113,665 2.73,666 7.455,667 0.721,668 3.135,669 3.401,670 3.555,671 3.689,672 3.738,673 3.611,674 3.497,675 3.497,676 3.434,677 3.466,678 6.227,679 0.678,680 322.44,681 3.135,682 4.635,683 5.434,684 6.267,685 7.084,686 7.918,687 8.741,688 9.574,689 10.401,690 11.234,691 5.7,698 1,702 1,709 6,713 1,714 4,716 11,731 1,738 35,739 14,740 1,741 22,743 36,744 14,745 10,746 2,747 4,752 2,753 2,759 1,768 11,769 3,772 3,775 1,778 3,782 1,785 1,786 1,789 14,790 4,791 1,792 7,793 2,797 2,803 1,804 3,822 1,823 1,838 1,855 2,856 1,857 2,859 1,862 21,869 2,871 1,873 1,880 1,886 8.6,889 1,892 2,893 11.5,894 6.533,895 4.722,896 1.881,898 2.069,899 1.334,900 0.949,901 5.764,902 8.266,903 3.45,904 4.003,905 4.426,906 4.877,907 5.141,908 5.087,909 4.966,910 5.085,911 5.075,912 5.27,913 0.857,914 26,915 7.749,917 3.218,918 8.095,919 14.406,921 11.302,924 2.595,925 54.5,929 153.024,930 143.914,931 23.681,933 75.892,935 63.497,936 80.417,937 228.916,938 23.681,939 14.495,940 21.016,941 55.03,942 29.85,943 8.851,944 11.771,945 204.75,946 50.747,947 153.024,948 104.098,949 75.892,950 63.497,952 153.024,953 25.145,954 50.747,956 30.771,957 67.657,958 5.67,959 63.497,960 153.024,961 99.573,962 143.914,965 153.024,966 80.059,967 69.526,968 18.011,969 75.892,970 153.024,971 99.573,972 143.914,973 0.574,974 0.317,975 0.155,976 0.08,977 12,978 6,979 0.167,980 6,982 1,983 3.419,984 142.799,986 11,987 86.239,989 2,993 15.989,994 7.571,995 4.828,997 93.903,998 11.236,1002 1.069,1003 2.827,1005 18.011,1006 396.511,1007 30.5,1010 -0.419,1013 33.297,1017 -0.138,1020 35.64,1021 38.956,1022 0.357,1023 0.717,1024 0.831,1025 0.873,1026 0.896,1027 0.896,1028 4.642,1029 0.764,1030 5.398,1031 2.275,1032 4.078,1033 4.687,1034 3.694,1035 6.116,1036 3.959,1037 5.838,1038 0.729,1039 6.909,1040 1.765,1041 3.611,1042 4.511,1043 2.675,1044 6.887,1045 3.492,1046 7.129,1047 0.331,1048 8.517,1049 1.739,1050 5.587,1051 6.827,1052 5.787,1053 9.889,1054 5.358,1055 8.454,1056 -0.215,1057 10.182,1058 0.739,1059 5.916,1060 7.46,1061 4.816,1062 11.52,1063 5.642,1064 9.808,1065 -0.785,1066 11.886,1067 -0.456,1068 7.363,1069 9.247,1070 8.073,1071 14.04,1072 7.003,1073 11.182,1074 -1,1075 13.617,1076 -1.937,1077 8.06,1078 10.251,1079 6.977,1080 16.041,1081 7.615,1082 12.571,1083 -1,1084 15.371,1085 -2,1086 9.29,1087 11.827,1088 10.426,1089 18.402,1090 8.77,1091 2.979,1092 -1,1093 17.143,1094 -2.517,1095 10.172,1096 13.019,1097 9.209,1098 20.563,1099 9.544,1100 2.633,1101 9.767,1102 18.929,1103 -3,1104 11.308,1105 14.502,1106 12.807,1107 22.87,1108 10.603,1109 2.351,1110 7.192,1111 20.727,1112 4.12,1113 12.285,1114 15.792,1115 11.524,1116 25.099,1117 11.462,1118 2.063,1119 6.123,1120 22.535,1121 3.615,1122 13.382,1123 17.233,1124 15.203,1125 27.386,1126 12.475,1127 1.917,1128 5.629,1129 24.352,1130 2.975,1131 14.408,1132 18.576,1133 13.914,1134 29.643,1135 13.381,1136 1.283,1137 5.132,1138 26.176,1139 2.829,1140 15.491,1141 19.998,1142 17.606,1143 31.925,1144 14.37,1145 1,1146 2.886,1147 28.006,1148 2.653,1149 16.543,1150 21.37,1151 16.356,1152 34.194,1153 15.302,1154 4685,1155 9055,1156 14.216,1157 25.239,1158 32.387,1159 35.745,1160 33.262,1161 31.954,1162 32.101,1163 43.634,1164 16.539,1165 86.493,1166 30.094,1167 5.321,1168 6.491,1169 5.925,1170 5.035,1171 4.979,1172 7.12,1173 6.685,1174 16.202,1175 4.654,1176 11.556,1177 1.472,1178 1.625,1179 1.512,1180 1.452,1181 1.459,1182 1.983,1183 0.752,1184 3.932,1185 1.368,1186 3.967,1187 3.987,1188 4.316,1189 3.95,1190 7.815,1191 3.886,1192 3.925,1193 3.939,1194 3.874,1195 3.876,1196 7.429,1197 3.847,1198 3.589,1199 3.629,1200 3.734,1201 3.408,1202 6.999,1203 3.396,1204 3.398,1205 3.417,1206 3.461,1207 3.145,1208 4.744,1209 3.11,1210 3.245,1211 3.305,1212 3.291,1213 2.907,1214 4.58,1215 3.029,1216 2.917,1217 3.02,1218 2.996,1219 2.751,1220 4.093,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.768,1227 2.684,1228 2.562,1229 2.6,1230 2.578,1231 2.477,1232 3.674,1233 2.386,1234 0.2,1235 0.204,1236 0.291,1237 0.176,1238 0.135,1239 4.402,1240 0.187,1241 4.491,1242 0.153,1243 6.412,1244 0.444,1245 3.875,1246 0.121,1247 2.979,1248 4.12,1249 3.359,1250 9.767,1251 2.654,1252 1.934,1253 1.905,1254 2.061,1255 2.021,1256 1.193,1257 2.036,1258 1.613,1259 1.606,1260 1.699,1261 1.906,1262 0.922,1263 1.807,1264 1.459,1265 1.433,1266 1.593,1267 1.742,1268 0.786,1269 1.719,1270 1.39,1271 1.367,1272 1.497,1273 1.499,1274 0.613,1275 1.544,1276 1.242,1277 1.187,1278 1.337,1279 1.426,1280 0.546,1281 1.465,1282 0.929,1283 0.835,1284 1.296,1285 1.196,1286 0.432,1287 1.25,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.679,1295 0.682,1296 0.779,1297 0.884,1299 0.923,1300 3.807,1302 5.081,1303 2.398,1304 6.524,1305 4.595,1306 8.041,1307 6.581,1308 9.598,1310 2.007,1315 0.634,1317 2.803,1319 1.184,1326 23.722,1327 64.164,1328 128.754,1329 149.16,1330 156.77,1331 160.77,1332 160.77,1333 46.485,1334 6.196,1335 74.92,1336 128.46,1337 11,1338 11.806,1339 3.907,1340 3.248,1341 39.637,1342 79,1343 73,1344 0.243,1345 157.624,1346 271.15,1347 376.362,1348 3676,1350 15.242,1351 0.726,1352 0.619,1353 15.949,1354 13,1355 10.059,1356 0.457,1357 0.368,1358 6.315,1359 8.773,1360 5.947,1361 4.967,1362 10.967,1363 8.095,1364 8.985,1365 0.31,1366 0.218,1367 10.092,1368 6.31,1369 6.808,1370 0.2,1371 0.141,1372 8.391,1373 4.785,1374 5.083,1375 0.13,1376 0.087,1377 6.656,1378 3.395,1379 3.722,1380 0.091,1381 0.053,1382 4.864,1383 2.154,1384 0.392,1385 72.364,1386 0.265,1387 21.42,1388 0.631,1389 102,1390 370.905,1391 157.233,1392 395.574,1393 511.6,1394 364,1395 114,1396 328.149,1397 168.409,1398 354.673,1399 506.43,1400 329,1401 4.502}
{0 CHEMBL1520276,1 1.929,2 6.389,3 2.216,4 4.908,5 65.072,6 10.165,7 0.632,8 3.405,9 3.457,10 3.425,11 3.058,12 4.719,13 3.022,14 3.868,15 3.931,16 3.706,17 3.386,18 5.586,19 3.366,20 4.084,21 4.202,22 3.829,23 3.475,24 5.607,25 3.438,26 4.139,27 4.235,28 3.833,29 3.337,30 5.826,31 3.364,32 4.035,33 4.117,34 3.521,35 3.102,36 6.099,37 3.204,38 3.688,39 3.833,40 2.939,41 2.904,42 5.153,43 2.903,44 3.571,45 3.765,46 2.592,47 2.666,48 4.953,49 2.615,50 3.161,51 3.409,52 1.779,53 2.048,54 4.443,55 1.932,56 0.161,57 0.394,58 3.965,59 2.677,60 28.22,61 2.122,62 0.378,63 0.588,64 4.802,65 3.869,66 81.308,67 3.281,68 0.425,69 0.743,70 11.713,71 5.444,72 66.502,73 4.854,74 0.628,75 0.712,76 16.271,77 5.74,78 113.089,79 3.885,80 0.85,81 0.562,82 11.008,83 4.05,84 187.151,85 2.367,86 0.371,87 0.442,88 5.215,89 2.738,90 60.569,91 2.214,92 0.332,93 0.372,94 6.502,95 2.796,96 52.89,97 2.887,98 0.267,99 0.222,100 6.321,101 2.08,102 47.497,103 2.371,104 18,105 27,106 0.37,107 0.55,108 0.678,109 0.793,110 0.814,111 0.814,112 2.962,113 1.012,114 -2.89,115 -2.9,116 -2.8,120 42.3,143 7,145 2,146 1,148 1,167 2,174 5,176 2,177 2,185 4,188 3,189 8,197 2,200 4,201 10,213 4,214 8,222 2,227 7,235 4,240 5,247 3,252 2,260 1,274 352,275 11.722,276 11.722,277 11.722,278 11.722,279 11.722,280 9.728,281 7.653,282 6.948,283 12.115,284 9.354,285 9.354,286 9.354,287 9.354,288 9.354,289 6.417,290 6.449,291 3.234,292 10.022,293 2.771,294 1.833,295 1.169,296 0.567,297 0.462,298 0.462,299 3.608,306 1,307 1,308 235,309 3.24,313 117.285,320 1.056,321 37.209,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41,333 115,334 5.003,335 5.359,336 7.731,337 4.418,338 3.554,339 4.903,340 2.95,341 13.955,342 3.051,343 4.224,344 3.793,345 6.279,346 3.684,347 2.732,348 3.909,349 2.612,350 9.034,351 2.582,352 3.609,353 3.098,354 5.276,355 3.044,356 2.073,357 3.116,359 5.734,360 2.003,361 3.354,362 2.02,363 4.346,364 2.697,365 1.732,366 2.746,368 4.041,369 1.668,370 2.783,371 1.689,372 3.742,373 2.285,374 1.316,375 1.909,377 2.967,378 1.265,379 2.631,380 1.331,381 3.494,382 2,383 1,384 1.618,386 2.469,387 1,388 2.571,389 1,390 3.465,391 1.993,392 1,393 1.558,395 2.302,396 0.993,397 2.5,398 1,399 3.247,400 1.963,401 1,402 1.5,404 2.136,405 0.961,406 1,407 1,408 2.789,409 0.394,410 -0.528,411 -0.725,413 -1.316,414 -0.477,415 1,416 0.422,417 2.471,418 0.228,419 -0.732,420 -1.047,422 -1.653,423 -0.684,424 0.919,425 -0.118,426 2,427 0.083,428 -0.884,429 -1.293,431 -2,432 -0.848,433 0.734,434 -0.61,435 2,437 -1,438 -1.5,440 -2.154,441 -1,442 0.599,443 -1,444 1.805,446 -1,447 -2,449 -2.347,450 -1,451 0.5,452 -1,453 1.555,455 -1,456 -2,458 -3,459 -1,460 -0.224,461 -1.118,462 1.223,463 -0.73,464 -1.615,465 -2.201,467 -4.789,468 -1.403,469 8.467,470 0.47,471 0.554,472 0.031,473 29.25,474 1.625,475 18,476 1,477 11.25,478 0.625,479 8.443,480 0.469,481 19.133,482 0.736,483 20.781,484 1.154,485 5.789,486 0.322,487 2.743,488 0.152,489 0.157,490 0.098,491 0.224,496 0.304,497 1.049,498 0.79,499 1.138,500 0.596,501 0.847,502 0.556,503 1.174,504 0.779,505 1.033,506 0.545,507 0.993,508 0.723,509 1.122,510 1.06,511 1.2,512 0.706,513 0.98,514 1.283,515 1.136,516 1.393,517 1.365,518 1.395,519 0.974,520 1.551,521 0.863,522 1.091,523 0.785,524 1.459,525 0.833,526 1.247,527 0.967,528 0.911,529 0.765,530 1.104,531 1.163,532 1.032,533 0.911,534 0.853,535 0.839,536 0.939,537 1.237,538 1.107,539 0.714,540 0.868,541 0.723,542 1.089,543 1.149,544 4,546 2.889,547 2.063,548 1.169,549 0.611,550 0.182,551 0.115,552 0.041,554 2271,555 9659,556 1.95,557 30.8,559 7,561 1,567 1.596,568 1.785,569 2.716,570 -0.6,574 1,575 50.158,576 1.929,577 2.868,578 3.531,579 4.133,580 4.239,581 4.239,582 2.192,583 3.017,584 4.144,585 2.805,586 429.174,587 7.076,588 3983.6,590 1,592 1,593 122.211,594 1.696,595 4.063,596 0.211,598 0.107,599 0.071,600 0.042,601 0.025,602 0.013,603 0.013,604 0.014,606 0.495,607 0.67,608 1,609 0.946,610 74.118,611 0.262,612 0.079,613 0.215,614 0.003,615 -0.076,616 0.023,617 0.191,618 -0.159,619 0.052,620 -0.054,621 0.201,622 -0.134,623 0.059,624 -0.076,625 0.085,626 -0.081,627 0.056,628 0.011,629 -0.121,630 -0.105,631 -0.122,632 -0.194,633 -0.188,634 -0.04,635 -0.1,636 0.042,637 -0.285,638 0.046,639 0.083,640 -0.03,641 -0.347,642 -0.045,643 -0.307,644 -0.073,645 -0.25,646 -0.267,647 -0.162,648 -0.071,649 -0.081,650 -0.086,651 -0.12,652 -0.161,653 -0.123,654 0.028,655 0.126,656 0.106,657 -0.136,658 0.12,659 4.884,660 5.192,661 0.667,662 9.679,663 1.048,664 1.115,665 1.659,666 2.751,667 0.722,668 2.996,669 3.332,670 3.584,671 3.784,672 3.932,673 3.714,674 3.689,675 3.466,676 3.434,677 3.135,678 4.101,679 0.718,680 264.28,681 2.996,682 4.533,683 5.38,684 6.271,685 7.148,686 8.044,687 8.93,688 9.829,689 10.72,690 11.618,691 7.7,701 1,702 1,709 8,710 1,714 3,716 12,731 1,738 26,739 16,740 1,741 19,743 27,744 11,745 11,746 1,747 5,752 2,753 2,768 11,772 4,775 1,776 1,778 4,786 1,789 8,790 5,792 7,793 1,797 2,803 1,804 4,816 1,823 2,855 2,857 1,862 18,865 1,886 15.4,889 2,892 2,893 10.083,894 4.65,895 3.972,896 1.351,898 2.47,899 1.414,900 0.967,901 3.194,902 8.433,903 3.401,904 4.06,905 4.59,906 5.121,907 5.629,908 5.612,909 5.94,910 5.866,911 6.278,912 6.263,913 1,914 29,915 6.942,917 3.37,918 8.551,919 11.821,921 9.588,924 3.051,925 54.917,929 94.169,930 86.857,931 22.456,933 95.06,935 6.046,936 80.811,937 189.229,938 22.456,939 5.67,941 72.38,942 72.87,943 13.355,944 1.122,945 82.398,946 50.747,947 94.169,948 103.266,949 95.06,950 6.046,952 94.169,953 44.313,954 50.747,956 9.047,957 71.763,958 28.502,960 94.169,961 117.515,962 86.857,964 6.046,965 94.169,966 5.429,967 81.051,969 111.845,970 94.169,971 117.515,972 86.857,973 0.586,974 0.349,975 0.187,976 0.101,977 13,978 6,979 0.111,980 3,982 1,983 2.858,984 128.582,986 12,987 67.059,992 1,993 12.368,994 4.649,995 2.306,997 111.845,998 11.129,999 3.618,1003 -1.089,1006 298.541,1007 29,1010 -0.761,1011 -3.967,1013 45.986,1020 27.24,1021 29,1022 0.41,1023 0.61,1024 0.751,1025 0.879,1026 0.902,1027 0.902,1028 4.615,1029 1,1030 5.425,1031 2.302,1032 4.007,1033 4.745,1034 3.388,1035 6.344,1036 3.86,1037 5.89,1038 -0.528,1039 7.071,1040 2.136,1041 3.892,1042 4.924,1043 2.361,1044 7.806,1045 3.528,1046 7.27,1047 -0.732,1048 8.855,1049 -1.316,1050 5.753,1051 7.149,1052 5.372,1053 10.913,1054 5.356,1055 8.704,1056 -0.884,1057 10.725,1058 -1.653,1059 6.494,1060 8.167,1061 4.506,1062 13.189,1063 5.835,1064 10.179,1065 -1,1066 12.649,1067 -2,1068 7.928,1069 9.946,1070 7.439,1071 15.948,1072 7.213,1073 11.685,1074 -1,1075 14.607,1076 -2.154,1077 8.999,1078 11.299,1079 6.556,1080 18.466,1081 8.039,1082 13.215,1083 -1,1084 16.589,1085 -2.347,1086 10.303,1087 12.939,1088 9.539,1089 21.137,1090 9.246,1091 3.554,1092 -1.615,1093 18.586,1094 -3,1095 11.495,1096 14.427,1097 8.548,1098 23.732,1099 10.224,1100 2.732,1101 13.955,1102 20.594,1103 -4.789,1104 12.765,1105 16.024,1106 11.658,1107 26.378,1108 11.365,1109 2.073,1110 9.034,1111 22.61,1112 4.903,1113 14.001,1114 17.567,1115 10.509,1116 28.999,1117 12.411,1118 1.732,1119 5.734,1120 24.633,1121 3.909,1122 15.264,1123 19.152,1124 13.789,1125 31.638,1126 13.527,1127 1.316,1128 4.041,1129 26.661,1130 3.116,1131 16.517,1132 20.719,1133 12.452,1134 34.268,1135 14.605,1136 1,1137 2.967,1138 28.692,1139 2.746,1140 17.78,1141 22.303,1142 15.928,1143 36.905,1144 15.714,1145 1,1146 2.469,1147 30.726,1148 1.909,1149 19.041,1150 23.881,1151 14.386,1152 39.538,1153 16.808,1154 2376,1155 5037,1156 12.019,1157 18.761,1158 28.932,1159 30.824,1160 29.688,1161 28.93,1162 28.814,1163 42.52,1164 11.125,1165 85.274,1166 27.045,1167 5.764,1168 7.359,1169 7.533,1170 5.537,1171 5.554,1172 7.903,1173 5.9,1174 22.303,1175 5.051,1176 9.336,1177 1.523,1178 1.622,1179 1.563,1180 1.523,1181 1.517,1182 2.238,1183 0.586,1184 4.488,1185 1.423,1186 4.138,1187 4.117,1188 4.755,1189 4.132,1190 7.816,1191 4.041,1192 3.859,1193 3.886,1194 3.847,1195 3.732,1196 7.714,1197 3.74,1198 3.551,1199 3.527,1200 3.661,1201 3.442,1202 6.999,1203 3.368,1204 3.42,1205 3.435,1206 3.392,1207 2.991,1208 6.999,1209 3.097,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 4.814,1215 2.715,1216 2.658,1217 2.732,1218 2.534,1219 2.522,1220 4.707,1221 2.512,1222 2.599,1223 2.663,1224 2.481,1225 2.343,1226 3.785,1227 2.373,1228 2.357,1229 2.381,1230 2.309,1231 2.099,1232 3.674,1233 2.136,1234 0.263,1235 0.282,1236 0.407,1237 0.233,1238 0.187,1239 5.003,1240 0.258,1241 5.359,1242 0.155,1243 7.731,1244 0.734,1245 4.418,1246 0.161,1247 3.554,1248 4.903,1249 2.95,1250 13.955,1251 3.051,1252 2.008,1253 2.024,1254 2.004,1255 2.111,1256 1.214,1257 2.115,1258 1.809,1259 1.777,1260 1.908,1261 1.956,1262 0.952,1263 1.946,1264 1.35,1265 1.389,1266 1.261,1267 1.645,1268 0.544,1269 1.549,1270 1.157,1271 1.127,1272 1.181,1273 1.459,1274 0.218,1275 1.503,1276 0.886,1277 0.821,1278 1.131,1279 1.062,1280 0.125,1281 1.107,1282 0.649,1283 0.593,1284 0.881,1285 0.864,1287 0.887,1288 0.527,1289 0.461,1290 0.702,1291 0.808,1293 0.833,1294 0.2,1295 0.185,1296 0.381,1297 0.515,1299 0.498,1300 3.664,1302 4.99,1304 6.541,1306 8.19,1308 9.889,1326 18.67,1327 50.158,1328 74.56,1329 91.805,1330 107.457,1331 110.211,1332 110.211,1333 44.262,1334 5.964,1335 92.85,1336 101.23,1337 12,1338 12.143,1339 4.087,1340 3.459,1341 30.638,1342 43,1343 42,1344 0.365,1345 121.712,1346 209.53,1347 288.738,1348 2259,1350 13.173,1351 0.732,1352 0.548,1353 13.423,1354 9.871,1355 8.532,1356 0.449,1357 0.337,1358 4.972,1359 7.342,1360 4.772,1361 3.969,1362 9.32,1363 6.411,1364 7.955,1365 0.295,1366 0.195,1367 9.255,1368 5.266,1369 6.289,1370 0.18,1371 0.113,1372 7.616,1373 3.972,1374 5.031,1375 0.117,1376 0.065,1377 6.307,1378 2.796,1379 3.974,1380 0.079,1381 0.037,1382 5.115,1383 1.842,1384 0.533,1385 62.43,1386 0.288,1387 17.525,1388 1.133,1389 92,1390 387.093,1391 144.094,1392 388.201,1393 503.35,1394 350,1395 108,1396 333.583,1397 168.079,1398 366.898,1399 530.21,1400 341,1401 4.923}
{0 CHEMBL1520457,1 1.915,2 9.5,3 3.166,4 10.022,5 89.868,6 9.158,7 0.478,8 3.719,9 3.833,10 3.448,11 3.236,12 4.923,13 3.224,14 4.199,15 4.366,16 3.843,17 3.557,18 5.407,19 3.543,20 4.321,21 4.471,22 3.951,23 3.695,24 5.584,25 3.64,26 4.394,27 4.559,28 3.972,29 3.681,30 5.792,31 3.594,32 4.34,33 4.533,34 3.669,35 3.597,36 5.522,37 3.457,38 4.256,39 4.486,40 3.85,41 3.496,42 5.499,43 3.356,44 4.022,45 4.222,46 3.373,47 3.323,48 5.188,49 3.193,50 3.906,51 4.071,52 3.334,53 3.256,54 5.19,55 3.155,56 0.112,57 0.557,58 5.42,59 3.007,60 6.198,61 3.508,62 0.327,63 0.834,64 13.613,65 4.777,66 23.476,67 5.828,68 0.43,69 0.904,70 16.685,71 5.815,72 31.787,73 6.288,74 0.55,75 0.908,76 21.447,77 6.878,78 54.486,79 7.768,80 0.47,81 0.866,82 24.343,83 7.046,84 49.567,85 7.59,86 0.466,87 0.801,88 25.067,89 6.631,90 49.468,91 7.302,92 0.29,93 0.643,94 18.434,95 5.618,96 34.634,97 5.955,98 0.31,99 0.589,100 16.162,101 4.799,102 32.354,103 4.866,104 38,105 32,106 0.348,107 0.708,108 0.827,109 0.876,110 0.876,111 0.876,112 3.146,113 0.934,114 -3.02,115 -3.02,116 -2.91,120 37.8,121 1,125 2,143 4,145 3,147 1,153 1,159 1,160 1,167 1,174 2,177 3,180 1,181 1,182 2,185 3,188 1,189 4,192 1,194 1,197 2,200 1,201 2,204 3,206 4,214 1,217 1,219 2,227 2,230 2,232 2,240 3,245 1,251 1,252 4,260 2,263 1,264 2,271 3,274 612,275 14.301,276 14.301,277 14.301,278 14.301,279 14.301,280 12.551,281 19.849,282 8.283,283 14.842,284 11.236,285 11.236,286 11.236,287 11.236,288 11.236,289 8.537,290 27.16,291 3.824,292 12.088,293 3.295,294 1.312,295 0.656,296 0.386,297 0.386,298 0.386,299 3.798,303 1,305 1,306 1,307 1,308 428,309 3.464,312 69.732,313 82.091,320 1.455,321 23.652,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48.333,333 209,334 4.564,335 3.856,336 6.812,337 4.145,338 3.201,339 4.281,340 1.773,341 11.063,342 3.004,343 4.094,344 3.593,345 5.658,346 3.681,347 2.732,348 3.682,349 0.99,350 7.882,351 2.597,352 3.759,353 3.109,354 5.533,355 3.357,356 2.429,357 3.026,358 0.86,359 6.981,360 2.25,361 3.479,362 2.896,363 5.172,364 3.084,365 2.145,366 2.723,367 0.14,368 6.242,369 1.989,370 3.227,371 2.327,372 4.896,373 2.799,374 1.88,375 2.434,377 5.328,378 1.71,379 3.1,380 2.214,381 4.637,382 2.626,383 1.705,384 2.254,386 4.698,387 1.536,388 2.675,389 1.848,390 4.129,391 2.2,392 1.23,393 1.752,395 3.169,396 1.188,397 2.603,398 1.341,399 3.492,400 2.082,401 1.153,402 1.568,404 2.608,405 1.005,406 1.584,407 0.948,408 2.915,409 1.294,410 0.43,411 0.482,413 0.626,414 0.368,415 1.184,416 0.934,417 2.683,418 0.875,419 -0.023,420 -0.025,422 -0.062,423 -0.018,424 1.047,425 0.673,426 2.425,427 0.646,428 -0.212,429 -0.263,431 -0.517,432 -0.168,433 1,434 0.357,435 2.36,436 0.384,437 -0.553,438 -0.65,440 -1.287,441 -0.496,442 0.633,443 -0.249,444 2,445 0.361,446 -0.604,447 -0.845,449 -1.364,450 -0.562,451 0.601,452 -0.378,453 1.686,454 0.162,455 -0.774,456 -0.999,458 -1.658,459 -0.705,460 0.465,461 -0.545,462 1.585,463 -0.074,464 -1,465 -1.456,467 -2.624,468 -0.929,469 10.814,470 0.492,471 0.668,472 0.03,473 27.75,474 1.261,475 13.5,476 0.614,477 14.25,478 0.648,479 17.068,480 0.776,481 23.986,482 0.648,483 20.497,484 0.932,485 5.865,486 0.267,487 4.553,488 0.207,489 0.313,491 0.361,496 0.793,497 1.289,498 0.554,499 0.858,500 0.628,501 0.871,502 0.949,503 1.174,504 0.559,505 0.739,506 0.603,507 0.693,508 1.119,509 1.053,510 1,511 0.975,512 1.158,513 0.969,514 0.873,515 1.119,516 1.081,517 1.171,518 0.909,519 1.153,520 1.36,521 1.044,522 1.407,523 1.185,524 1.595,525 1.157,526 0.863,527 0.843,528 0.761,529 0.868,530 1.096,531 0.754,532 1.137,533 1.028,534 1.275,535 1.201,536 1.376,537 0.989,538 1.03,539 1.133,540 1.495,541 1.409,542 1.161,543 1.098,544 5.5,545 0.119,546 2.444,547 2.667,548 0.952,549 0.681,550 0.416,551 0.253,552 0.211,553 0.153,554 4664,555 16648,556 1.919,557 40.5,559 10,562 2,563 3,567 1.643,568 1.737,569 3.209,570 0.438,571 1,572 1,574 1,575 70.843,576 1.915,577 3.898,578 4.554,579 4.824,580 4.824,581 4.824,582 2.629,583 4.152,584 4.435,585 3.376,586 779.969,587 7.607,588 8770.41,589 1,590 1,591 1,592 1,593 192.75,594 1.573,595 4.349,596 0.239,597 0.01,598 0.076,599 0.083,600 0.033,601 0.031,602 0.019,603 0.014,604 0.012,605 0.01,606 0.527,607 0.5,608 1,609 0.917,610 101.981,611 -0.051,612 -0.135,613 0.008,614 -0.059,615 -0.097,616 -0.029,618 -0.119,619 0.165,620 0.102,621 0.093,622 0.195,623 -0.085,624 0.051,625 -0.084,626 -0.041,627 -0.167,628 -0.093,629 0.208,630 -0.116,631 -0.027,632 -0.201,633 0.308,634 -0.219,635 -0.283,636 -0.055,637 -0.254,638 -0.103,639 -0.315,640 -0.177,641 0.105,642 0.164,643 0.347,644 0.264,645 0.096,646 0.265,647 -0.196,648 -0.013,649 -0.153,650 -0.023,651 -0.183,652 0.035,653 -0.066,654 -0.018,655 -0.343,656 -0.206,657 -0.059,658 -0.125,659 2.089,660 5.215,661 0.5,662 16.074,663 1.021,664 1.129,665 1.791,666 3.207,667 0.703,668 3.178,669 3.497,670 3.714,671 3.932,672 3.912,673 3.807,674 3.714,675 3.689,676 3.664,677 3.689,678 5.753,679 0.667,680 338.85,681 3.178,682 4.71,683 5.541,684 6.415,685 7.261,686 8.138,687 8.989,688 9.867,689 10.722,690 11.601,691 10.8,698 2,699 1,701 1,709 4,710 1,714 5,715 1,716 11,735 1,737 1,738 37,739 13,740 1,741 23,743 38,744 14,745 9,746 2,747 4,748 1,752 2,753 2,754 1,757 1,759 1,768 11,769 3,772 2,778 1,779 1,782 2,785 1,786 1,789 15,790 5,791 2,792 8,793 2,797 4,800 1,803 1,804 2,814 1,822 1,823 1,855 2,857 1,859 3,860 1,862 22,871 2,872 1,885 1,886 5.4,889 1,891 1,893 12.667,894 7.626,895 4.944,896 1.91,898 1.89,899 1.3,900 0.945,901 5.526,902 8.198,903 3.45,904 4.039,905 4.539,906 5.073,907 5.29,908 5.245,909 5.239,910 5.307,911 5.324,912 5.57,913 1,914 32,915 8.052,917 3.283,918 7.952,919 14.849,921 11.273,924 2.452,925 53.944,929 153.024,930 133.205,931 54.461,932 39.149,933 36.145,935 45.192,936 88.013,937 228.318,938 54.461,939 28.105,940 36.022,941 37.905,942 46.513,943 27.034,944 3.041,945 153.024,946 84.341,947 153.024,948 142.474,949 36.145,950 84.341,952 153.024,953 36.145,956 49.38,957 76.431,958 55.812,959 45.192,960 153.024,961 90.606,962 172.354,965 153.024,966 22.003,967 67.786,968 36.022,969 137.148,970 153.024,971 90.606,972 172.354,973 0.584,974 0.345,975 0.185,976 0.084,977 14,978 8,979 0.079,980 3,982 1,983 3.329,984 160.812,986 11,987 98.107,990 1,993 16.895,994 7.196,995 4.056,997 88.829,998 7.194,999 4.089,1003 2.542,1004 1.418,1005 36.022,1006 415.984,1007 30.5,1013 12.215,1014 5.128,1017 -0.262,1020 37.764,1021 41.767,1022 0.368,1023 0.748,1024 0.874,1025 0.926,1026 0.926,1027 0.926,1028 4.68,1029 1.153,1030 5.549,1031 3.169,1032 4.174,1033 4.723,1034 2.286,1035 6.358,1036 4.037,1037 5.906,1038 0.43,1039 7.119,1040 2.608,1041 3.892,1042 4.663,1043 1.305,1044 7.273,1045 3.667,1046 7.224,1047 -0.023,1048 8.786,1049 0.626,1050 5.771,1051 6.904,1052 2.88,1053 10.364,1054 5.519,1055 8.575,1056 -0.212,1057 10.508,1058 -0.062,1059 6.256,1060 7.615,1061 2.579,1062 12.12,1063 5.912,1064 9.955,1065 -0.553,1066 12.267,1067 -0.517,1068 7.663,1069 9.388,1070 3.742,1071 14.759,1072 7.295,1073 11.357,1074 -0.604,1075 14.053,1076 -1.287,1077 8.506,1078 10.469,1079 3.828,1080 16.894,1081 8.05,1082 12.776,1083 -0.774,1084 15.861,1085 -1.364,1086 9.737,1087 12.051,1088 4.748,1089 19.376,1090 9.247,1091 3.201,1092 -1,1093 17.688,1094 -1.658,1095 10.746,1096 13.316,1097 5.043,1098 21.672,1099 10.176,1100 2.732,1101 11.063,1102 19.531,1103 -2.624,1104 11.915,1105 14.817,1106 5.823,1107 24.101,1108 11.299,1109 2.429,1110 7.882,1111 21.387,1112 4.281,1113 13,1114 16.171,1115 6.232,1116 26.461,1117 12.31,1118 2.145,1119 6.981,1120 23.254,1121 3.682,1122 14.15,1123 17.638,1124 6.93,1125 28.873,1126 13.407,1127 1.88,1128 6.242,1129 25.13,1130 3.026,1131 15.271,1132 19.037,1133 7.405,1134 31.259,1135 14.458,1136 1.705,1137 5.328,1138 27.014,1139 2.723,1140 16.419,1141 20.49,1142 8.054,1143 33.664,1144 15.547,1145 1.23,1146 4.698,1147 28.904,1148 2.434,1149 17.557,1150 21.913,1151 8.567,1152 36.061,1153 16.618,1154 4773,1155 9154,1156 14.334,1157 26.006,1158 34.3,1159 36.804,1160 36.399,1161 33.947,1162 33.81,1163 44.407,1164 7.527,1165 97.195,1166 31.297,1167 5.469,1168 5.856,1169 6.404,1170 5.198,1171 5.201,1172 7.281,1173 3.162,1174 18.106,1175 5.004,1176 14.08,1177 1.491,1178 1.6,1179 1.583,1180 1.476,1181 1.47,1182 1.931,1183 0.327,1184 4.226,1185 1.361,1186 3.99,1187 4.037,1188 4.095,1189 3.848,1190 7.429,1191 3.857,1192 3.906,1193 3.935,1194 3.943,1195 3.793,1196 5.022,1197 3.808,1198 3.49,1199 3.535,1200 3.76,1201 3.378,1202 4.922,1203 3.32,1204 3.255,1205 3.323,1206 3.316,1207 3.024,1208 4.768,1209 3.016,1210 3.21,1211 3.303,1212 3.132,1213 2.965,1214 4.418,1215 2.966,1216 3.067,1217 3.121,1218 3.071,1219 2.849,1220 4.366,1221 2.849,1222 2.814,1223 2.895,1224 2.89,1225 2.706,1226 3.865,1227 2.665,1228 2.752,1229 2.828,1230 2.769,1231 2.6,1232 3.759,1233 2.572,1234 0.198,1235 0.168,1236 0.296,1237 0.18,1238 0.139,1239 4.564,1240 0.186,1241 3.856,1242 0.077,1243 6.812,1244 0.481,1245 4.145,1246 0.131,1247 3.201,1248 4.281,1249 1.773,1250 11.063,1251 3.004,1252 1.882,1253 1.858,1254 1.986,1255 1.995,1256 1.064,1257 1.994,1258 1.636,1259 1.612,1260 1.739,1261 1.861,1262 0.879,1263 1.826,1264 1.509,1265 1.436,1266 1.733,1267 1.72,1268 0.777,1269 1.728,1270 1.312,1271 1.264,1272 1.573,1273 1.564,1274 0.576,1275 1.569,1276 1.187,1277 1.113,1278 1.432,1279 1.486,1280 0.446,1281 1.505,1282 0.998,1283 0.928,1284 1.209,1285 1.247,1286 0.29,1287 1.254,1288 0.817,1289 0.756,1290 1.073,1291 0.994,1292 0.15,1293 1.033,1294 0.748,1295 0.686,1296 0.946,1297 0.945,1298 0.046,1299 0.973,1300 3.85,1302 5.165,1303 2.398,1304 6.658,1305 4.844,1306 8.232,1307 6.986,1308 9.849,1310 4.949,1311 6.068,1317 5.482,1318 5.121,1326 24.691,1327 70.843,1328 144.22,1329 168.485,1330 178.485,1331 178.485,1332 178.485,1333 42.366,1334 6.308,1335 68.18,1336 100.27,1337 11,1338 12.143,1339 3.807,1340 3.087,1341 42.371,1342 77,1343 72,1344 0.274,1345 164.418,1346 281.06,1347 392.94,1348 3884,1349 2.7,1350 16.276,1351 0.74,1352 0.631,1353 17.276,1354 13.879,1355 10.418,1356 0.453,1357 0.311,1358 6.309,1359 9.375,1360 5.989,1361 5.039,1362 10.995,1363 7.162,1364 9.488,1365 0.296,1366 0.166,1367 10.229,1368 5.298,1369 7.541,1370 0.189,1371 0.089,1372 8.254,1373 3.576,1374 6.379,1375 0.128,1376 0.047,1377 7.128,1378 2.361,1379 3.958,1380 0.081,1381 0.025,1382 4.33,1383 1.233,1384 0.431,1385 72.147,1386 0.264,1387 21.792,1388 0.748,1389 110,1390 386.491,1391 152.835,1392 421.78,1393 551.07,1394 390,1395 127,1396 363.737,1397 163.168,1398 385.669,1399 556.89,1400 358,1401 4.196}
{0 CHEMBL1520502,1 1.556,2 8.619,3 4.059,4 16.478,5 85.143,6 8.3,7 0.696,8 3.681,9 3.791,10 3.346,11 3.31,12 4.816,13 3.277,14 4.173,15 4.33,16 3.747,17 3.691,18 5.287,19 3.645,20 4.371,21 4.53,22 3.877,23 3.834,24 5.502,25 3.759,26 4.477,27 4.673,28 3.84,29 3.761,30 5.698,31 3.664,32 4.327,33 4.533,34 3.611,35 3.575,36 5.537,37 3.481,38 4.156,39 4.352,40 3.385,41 3.415,42 5.365,43 3.335,44 4.021,45 4.234,46 3.301,47 3.396,48 5.052,49 3.279,50 3.93,51 4.119,52 3.013,53 3.301,54 4.957,55 3.155,56 0.012,57 0.485,58 6.072,59 3.037,60 4.51,61 3.891,62 0.146,63 0.781,64 12.366,65 5.096,66 12.674,67 6.718,68 0.071,69 0.913,70 15.797,71 6.622,72 15.528,73 8.41,74 0.337,75 0.965,76 23.893,77 7.642,78 40.477,79 9.716,80 0.188,81 0.801,82 21.052,83 6.749,84 37.349,85 8.287,86 0.27,87 0.697,88 16.83,89 5.079,90 44.294,91 5.816,92 0.12,93 0.607,94 14.839,95 5.129,96 19.287,97 6.687,98 0.121,99 0.551,100 12.46,101 4.642,102 22.035,103 5.884,104 17,105 33,106 0.28,107 0.613,108 0.733,109 0.833,110 0.843,111 0.843,112 3.104,113 0.921,114 -4.95,115 -4.85,116 -4.55,120 47.2,121 1,125 1,143 8,144 3,145 1,153 1,154 1,159 1,174 10,177 5,180 1,182 3,185 12,189 3,194 3,197 9,200 1,201 5,204 1,206 3,209 5,214 4,219 3,222 6,227 4,232 1,235 7,240 3,247 10,252 1,260 9,264 1,271 6,274 546,275 13.983,276 13.983,277 13.983,278 13.983,279 13.983,280 11.832,281 13.041,282 8.102,283 14.211,284 11.302,285 11.302,286 11.302,287 11.302,288 11.302,289 8.133,290 14.342,291 3.824,292 11.724,293 3.614,294 1.764,295 1.097,296 0.542,297 0.486,298 0.486,299 3.779,304 1,305 1,306 1,307 1,308 389,309 2.739,312 42.983,313 118.317,316 81.463,320 1.197,321 16.309,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 44.333,333 181,334 4.771,335 3.711,336 7.073,337 4.306,338 3.351,339 4.732,340 1.058,341 12.116,342 3.205,343 4.046,344 3.223,345 5.969,346 3.649,347 2.67,348 3.632,350 8.192,351 2.612,352 3.792,353 2.692,354 5.543,355 3.389,356 2.393,357 3.217,359 7.075,360 2.376,361 3.538,362 2.477,363 5.426,364 3.046,365 2.132,366 2.935,368 6.615,369 1.988,370 3.384,371 2.252,372 4.933,373 3.002,374 2.028,375 2.684,377 5.743,378 1.896,379 2.961,380 1.959,381 4.521,382 2.46,383 1.466,384 2.086,386 4.099,387 1.442,388 2.83,389 1.467,390 3.641,391 2.317,392 1.354,393 1.979,395 2.953,396 1.259,397 2.5,398 1,399 3.562,400 2,401 1,402 1.5,404 2.275,405 1,406 2.219,407 0.957,408 3.414,409 1.766,410 0.796,411 1.088,413 1.961,414 0.76,415 1.405,416 0.756,417 2.976,418 1.089,419 0.146,420 0.169,422 0.342,423 0.125,424 1.179,425 0.57,426 2.529,427 0.748,428 -0.114,429 -0.142,431 -0.26,432 -0.088,433 0.76,434 -0.072,435 2.317,436 0.354,437 -0.641,438 -0.808,440 -1.585,441 -0.622,442 0.691,443 -0.546,444 2,445 0.278,446 -0.722,447 -1.008,449 -1.727,450 -0.702,451 0.538,452 -0.817,453 2,454 0.067,455 -0.922,456 -1.353,458 -2.249,459 -0.875,460 0.5,461 -0.876,462 1.849,464 -1,465 -1.5,467 -3,468 -1,469 10.348,470 0.493,471 0.597,472 0.028,473 29.25,474 1.393,475 16,476 0.762,477 13.25,478 0.631,479 14.703,480 0.7,481 21.452,482 0.596,483 19.989,484 0.952,485 5.926,486 0.282,487 4.149,488 0.198,489 0.198,491 0.377,496 0.66,497 1.191,498 0.596,499 0.875,500 0.57,501 0.837,502 0.581,503 0.997,504 0.602,505 0.8,506 0.516,507 0.778,508 0.967,509 1.23,510 0.855,511 1.02,512 0.942,513 1.008,514 0.99,515 1.075,516 1.167,517 1.177,518 1.03,519 1.089,520 1.6,521 1.049,522 1.22,523 1.034,524 1.677,525 0.966,526 2.208,527 0.781,528 1.291,529 0.79,530 2.481,531 0.889,532 0.984,533 0.827,534 1.097,535 0.898,536 0.781,537 0.902,538 1.17,539 1.027,540 1.31,541 1.207,542 1.294,543 1.287,544 4,545 0.025,546 2.667,547 2.486,548 1.329,549 0.625,550 0.496,551 0.203,552 0.153,553 0.123,554 4108,555 11122,556 2.045,557 41.7,558 3,559 11,562 1,567 1.634,568 1.881,569 3.062,570 -0.338,572 1,575 56.027,576 1.556,577 3.406,578 4.072,579 4.628,580 4.684,581 4.684,582 2.475,583 4.107,584 4.364,585 3.184,586 668.609,587 7.486,588 6917.45,590 1,591 1,592 1,593 186.117,594 1.51,595 4.305,596 0.174,597 0.006,598 0.081,599 0.073,600 0.046,601 0.026,602 0.025,603 0.011,604 0.011,605 0.014,606 0.466,607 0.83,608 1,609 0.665,610 93.622,611 -0.034,612 -0.101,613 0.018,614 -0.009,615 -0.08,616 0.016,617 0.177,618 0.082,619 0.12,620 0.092,621 0.081,622 0.112,623 -0.052,624 -0.215,625 0.019,626 -0.091,627 -0.059,628 -0.096,629 0.246,630 -0.091,631 -0.017,632 -0.201,633 0.177,634 -0.139,635 -0.152,636 -0.105,637 -0.037,638 -0.036,639 -0.026,640 -0.001,641 -0.469,642 0.244,643 -0.216,644 0.155,645 -0.415,646 0.009,647 -0.094,648 0.125,649 -0.014,650 0.107,651 0.009,652 0.098,653 -0.248,654 -0.092,655 -0.344,656 -0.225,657 -0.287,658 -0.318,659 1.861,660 5.538,661 0.714,662 14,663 1.001,664 1.113,665 3.717,666 13.814,667 0.713,668 3.178,669 3.526,670 3.829,671 4.111,672 4.304,673 4.263,674 4.304,675 4.344,676 4.277,677 4.277,678 5.034,679 0.674,680 298.79,681 3.178,682 4.727,683 5.595,684 6.491,685 7.38,686 8.283,687 9.181,688 10.088,689 10.992,690 11.902,691 5.6,698 1,699 1,708 2,709 8,714 4,715 1,716 16,723 1,737 1,738 36,739 17,740 2,741 23,743 38,744 17,745 14,746 4,747 8,748 1,752 3,753 4,754 1,759 1,768 15,769 2,772 1,778 1,782 1,786 1,789 15,790 2,791 1,792 4,793 1,797 2,803 0.667,804 1,818 1,822 1,823 2,826 1,855 2,859 2,860 1,862 21,871 1,885 1,886 2.8,889 1,893 11.167,894 7.176,895 4.583,896 2.058,898 3.045,899 1.452,900 1.012,901 3.64,902 9.786,903 3.497,904 4.171,905 4.817,906 5.46,907 5.978,908 6.175,909 6.5,910 6.84,911 6.855,912 7.144,913 0.833,914 34,915 7.742,917 3.289,918 7.751,919 14.704,921 11.984,924 2.251,925 47.278,929 164.795,930 114.653,931 19.91,932 39.149,933 25.145,936 114.653,937 229.089,938 19.91,939 17.222,940 18.011,941 75.81,942 29.85,943 16.672,944 41.293,945 164.795,947 164.795,948 134.563,949 25.145,950 39.149,952 164.795,953 25.145,956 31.807,957 102.756,959 39.149,960 164.795,961 45.055,962 153.802,965 164.795,966 21.621,967 94.931,968 18.011,969 64.294,970 164.795,971 45.055,972 153.802,973 0.59,974 0.356,975 0.196,976 0.108,977 17,978 8,979 0.053,980 2,981 1,982 1.133,983 3.264,984 164.57,985 0.133,986 15,987 88.239,993 14.021,994 5.451,995 2.514,996 1.797,997 43.156,998 15.371,1003 2.863,1004 1.82,1005 18.011,1006 363.652,1007 32,1013 12.538,1017 -0.194,1020 36.04,1021 40.056,1022 0.301,1023 0.659,1024 0.788,1025 0.895,1026 0.906,1027 0.906,1028 4.727,1029 1,1030 5.602,1031 2.953,1032 4.205,1033 4.856,1034 1.176,1035 6.46,1036 4.133,1037 5.974,1038 0.796,1039 7.195,1040 2.275,1041 3.892,1042 4.796,1044 7.473,1045 3.757,1046 7.309,1047 0.146,1048 8.892,1049 1.961,1050 5.838,1051 7.168,1052 1.255,1053 10.63,1054 5.699,1055 8.684,1056 -0.114,1057 10.651,1058 0.342,1059 6.347,1060 7.953,1062 12.524,1063 6.138,1064 10.093,1065 -0.641,1066 12.45,1067 -0.26,1068 7.801,1069 9.82,1070 1.338,1071 15.233,1072 7.583,1073 11.529,1074 -0.722,1075 14.279,1076 -1.585,1077 8.694,1078 11.016,1080 17.496,1081 8.407,1082 12.987,1083 -0.922,1084 16.131,1085 -1.727,1086 9.97,1087 12.684,1088 1.422,1089 20.06,1090 9.661,1091 3.351,1092 -1,1093 18.002,1094 -2.249,1095 11.038,1096 14.078,1098 22.469,1099 10.666,1100 2.67,1101 12.116,1102 19.888,1103 -3,1104 12.256,1105 15.67,1106 1.51,1107 24.986,1108 11.85,1109 2.393,1110 8.192,1111 21.786,1112 4.732,1113 13.401,1114 17.153,1116 27.449,1117 12.938,1118 2.132,1119 7.075,1120 23.695,1121 3.632,1122 14.604,1123 18.717,1124 1.599,1125 29.95,1126 14.1,1127 2.028,1128 6.615,1129 25.612,1130 3.217,1131 15.783,1132 20.239,1134 32.433,1135 15.226,1136 1.466,1137 5.743,1138 27.536,1139 2.935,1140 16.984,1141 21.794,1142 1.69,1143 34.93,1144 16.383,1145 1.354,1146 4.099,1147 29.466,1148 2.684,1149 18.178,1150 23.334,1152 37.42,1153 17.528,1154 4038,1155 6765,1156 15.027,1157 25.654,1158 35.063,1159 36.541,1160 36.725,1161 34.83,1162 34.67,1163 48.041,1164 2.117,1165 102.743,1166 33.326,1167 5.608,1168 5.711,1169 6.752,1170 5.334,1171 5.351,1172 7.732,1173 2.117,1174 19.588,1175 5.205,1176 10.868,1177 1.524,1178 1.589,1179 1.597,1180 1.514,1181 1.507,1182 2.089,1183 0.092,1184 4.467,1185 1.449,1186 4.147,1187 4.175,1188 4.193,1189 4.063,1190 7.429,1191 4.071,1192 3.916,1193 3.95,1194 3.852,1195 3.851,1196 5.009,1197 3.846,1198 3.501,1199 3.542,1200 3.588,1201 3.382,1202 4.753,1203 3.384,1204 3.362,1205 3.428,1206 3.326,1207 3.135,1208 4.582,1209 3.153,1210 3.127,1211 3.199,1212 3.054,1213 2.971,1214 4.034,1215 2.959,1216 2.864,1217 2.935,1218 2.947,1219 2.735,1220 4.015,1221 2.715,1222 2.854,1223 2.925,1224 2.695,1225 2.669,1226 3.736,1227 2.67,1228 2.796,1229 2.881,1230 2.687,1231 2.603,1232 3.674,1233 2.585,1234 0.207,1235 0.161,1236 0.308,1237 0.187,1238 0.146,1239 4.771,1240 0.206,1241 3.711,1242 0.046,1243 7.073,1244 0.527,1245 4.306,1246 0.139,1247 3.351,1248 4.732,1249 1.058,1250 12.116,1251 3.205,1252 1.946,1253 1.923,1254 2.045,1255 2.034,1256 1.166,1257 2.038,1258 1.907,1259 1.878,1260 2.024,1261 2.002,1262 1.128,1263 2.011,1264 1.602,1265 1.569,1266 1.721,1267 1.786,1268 0.849,1269 1.775,1270 1.294,1271 1.227,1272 1.562,1273 1.541,1274 0.623,1275 1.545,1276 1.155,1277 1.089,1278 1.401,1279 1.35,1280 0.493,1281 1.382,1282 0.886,1283 0.821,1284 1.181,1285 1.077,1286 0.218,1287 1.107,1288 0.839,1289 0.77,1290 1.13,1291 1.062,1292 0.194,1293 1.102,1294 0.757,1295 0.691,1296 1.008,1297 0.961,1298 0.085,1299 0.987,1300 3.85,1302 5.187,1303 2.398,1304 6.725,1305 4.949,1306 8.351,1307 7.209,1308 10.025,1310 3.862,1311 6.325,1317 2.895,1326 24.273,1327 56.027,1328 122.608,1329 146.608,1330 166.608,1331 168.608,1332 168.608,1333 31.555,1334 6.741,1335 34.03,1336 34.03,1337 17,1338 12.418,1339 4.17,1340 3.322,1341 32.136,1342 62,1343 71,1344 0.257,1345 154.159,1346 257.76,1347 367.907,1348 6633,1349 2.8,1350 14.983,1351 0.713,1352 0.6,1353 15.483,1354 12.608,1355 10.075,1356 0.438,1357 0.307,1358 6.656,1359 9.582,1360 6.372,1361 5.338,1362 10.364,1363 7.064,1364 9.247,1365 0.28,1366 0.164,1367 9.58,1368 5.42,1369 7.979,1370 0.177,1371 0.089,1372 8.434,1373 4.015,1374 6.637,1375 0.111,1376 0.045,1377 7.049,1378 2.687,1379 5.349,1380 0.073,1381 0.025,1382 5.627,1383 1.807,1384 0.392,1385 65.235,1386 0.258,1387 20.53,1388 0.739,1389 112,1390 307.917,1391 134.852,1392 335.563,1393 453.54,1394 312,1395 134,1396 315.922,1397 154.651,1398 335.101,1399 492.18,1400 314,1401 4.502}
{0 CHEMBL1520753,1 1.929,2 7.722,3 2.216,4 4.908,5 65.072,6 10.165,7 0.632,8 3.405,9 3.457,10 3.425,11 3.058,12 4.718,13 3.022,14 3.868,15 3.931,16 3.706,17 3.386,18 5.587,19 3.366,20 4.084,21 4.202,22 3.767,23 3.466,24 5.644,25 3.423,26 4.12,27 4.241,28 3.566,29 3.278,30 5.785,31 3.273,32 3.838,33 3.968,34 3.206,35 3.012,36 5.367,37 3.026,38 3.554,39 3.703,40 3.095,41 2.855,42 4.832,43 2.812,44 3.548,45 3.705,46 2.904,47 2.615,48 5.618,49 2.622,50 3.086,51 3.299,52 2.342,53 2.146,54 4.485,55 2.164,56 0.161,57 0.394,58 3.965,59 2.677,60 28.109,61 2.122,62 0.378,63 0.588,64 4.802,65 3.869,66 81.614,67 3.281,68 0.425,69 0.734,70 12.183,71 5.587,72 60.339,73 4.86,74 0.667,75 0.667,76 15.736,77 5.626,78 121.653,79 4.004,80 0.509,81 0.494,82 9.581,83 3.609,84 102.229,85 2.593,86 0.277,87 0.408,88 6.261,89 2.857,90 46.599,91 2.701,92 0.499,93 0.346,94 6.422,95 2.667,96 113.168,97 3.139,98 0.176,99 0.236,100 4.517,101 1.645,102 24.157,103 1.945,104 18,105 27,106 0.37,107 0.55,108 0.678,109 0.793,110 0.814,111 0.814,112 2.961,113 1.011,114 -2.89,115 -2.9,116 -2.8,120 42.3,143 7,145 2,146 1,148 1,167 2,174 5,176 2,177 2,185 4,188 3,189 10,197 2,200 2,201 10,209 2,214 4,222 4,226 2,227 1,235 3,239 4,240 2,247 1,252 6,264 5,274 352,275 11.67,276 11.67,277 11.67,278 11.67,279 11.67,280 9.704,281 9.27,282 6.815,283 12.073,284 9.333,285 9.333,286 9.333,287 9.333,288 9.333,289 6.419,290 8.644,291 3.169,292 10.017,293 2.771,294 1.833,295 1.169,296 0.567,297 0.462,298 0.462,299 3.608,306 1,307 1,308 285,309 3.24,313 122.878,320 1.278,321 35.359,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41,333 139,334 4.969,335 5.351,336 7.666,337 4.368,338 3.511,339 4.862,340 2.95,341 13.61,342 2.977,343 4.224,344 3.778,345 5.927,346 3.695,347 2.732,348 3.909,349 2.612,350 8.182,351 2.623,352 3.679,353 3.107,354 5.555,355 3.16,356 2.201,357 3.207,359 6.523,360 2.102,361 3.354,362 2.11,363 4.388,364 2.703,365 1.732,366 2.746,368 4.301,369 1.673,370 2.831,371 1.777,372 3.783,373 2.22,374 1.24,375 1.925,377 2.873,378 1.208,379 2.631,380 1.133,381 3.512,382 2,383 1,384 1.618,386 2.499,387 1,388 2.5,389 1,390 3.414,391 1.994,392 1,393 1.5,395 2.275,396 0.993,397 2.5,398 1,399 3.247,400 1.956,401 1,402 1.5,404 2.136,405 0.953,406 1,407 1,408 2.785,409 0.43,410 -0.496,411 -0.688,413 -1.182,414 -0.451,415 1,416 0.445,417 2.47,418 0.228,419 -0.732,420 -1.047,422 -1.649,423 -0.684,424 0.957,425 -0.117,426 2,428 -1,429 -1.5,431 -2,432 -0.972,433 0.734,434 -0.68,435 2,437 -1,438 -1.5,440 -2.347,441 -1,442 0.5,443 -1,444 1.81,446 -1,447 -1.905,449 -3,450 -1,451 0.5,452 -1,453 1.555,454 -0.025,455 -1,456 -2,458 -3,459 -1,460 -0.189,461 -1,462 1.06,463 -0.65,464 -1.531,465 -2,467 -4.789,468 -1.309,469 8.467,470 0.47,471 0.571,472 0.032,473 29.25,474 1.625,475 18,476 1,477 11.25,478 0.625,479 8.267,480 0.459,481 19.133,482 0.736,483 20.212,484 1.123,485 5.773,486 0.321,487 2.742,488 0.152,489 0.157,490 0.098,491 0.224,496 0.304,497 1.049,498 0.79,499 1.138,500 0.597,501 0.847,502 0.556,503 1.174,504 0.779,505 1.033,506 0.544,507 0.993,508 0.753,509 1.09,510 1.198,511 1.249,512 0.676,513 1.057,514 1.482,515 0.989,516 1.477,517 1.158,518 1.44,519 1.046,520 1.565,521 0.882,522 1.114,523 0.824,524 1.557,525 0.943,526 0.577,527 1.033,528 0.835,529 1.102,530 0.803,531 1.209,532 0.314,533 0.901,534 0.495,535 0.759,536 0.274,537 1.031,538 0.82,539 1.103,540 0.524,541 0.826,542 0.631,543 0.951,544 4.5,545 0.025,546 3.111,547 1.688,548 0.751,549 0.556,550 0.323,551 0.174,552 0.086,553 0.044,554 2511,555 11027,556 1.95,557 30.8,559 7,561 1,567 1.587,568 1.785,569 2.95,570 -0.6,574 1,575 50.158,576 1.929,577 2.868,578 3.531,579 4.133,580 4.239,581 4.239,582 2.468,583 2.933,584 4.139,585 3.064,586 468.767,587 7.028,588 4336.02,590 1,592 1,593 122.211,594 1.696,595 4.063,596 0.237,597 0.012,598 0.115,599 0.06,600 0.033,601 0.033,602 0.025,603 0.014,604 0.012,605 0.009,606 0.551,607 0.67,608 1,609 0.946,610 75.717,611 0.262,612 0.079,613 0.215,614 0.003,615 -0.077,616 0.023,617 0.191,618 -0.159,619 0.052,620 -0.054,621 0.202,622 -0.134,623 0.027,624 -0.043,625 -0.058,626 -0.131,627 0.084,628 -0.069,629 -0.32,630 -0.039,631 -0.314,632 -0.073,633 -0.225,634 -0.062,635 -0.445,636 0.015,637 -0.234,638 0.06,639 -0.403,640 0.007,641 0.16,642 -0.053,643 0.066,644 -0.195,645 -0.141,646 -0.21,647 0.741,648 -0.082,649 0.279,650 -0.005,651 0.774,652 0.007,653 0.002,654 -0.221,655 0.296,656 -0.087,657 0.108,658 0.154,659 4.632,660 5.083,661 0.667,662 11.852,663 1.048,664 1.115,665 1.659,666 2.751,667 0.722,668 2.996,669 3.332,670 3.555,671 3.664,672 3.807,673 3.807,674 3.892,675 3.497,676 3.367,677 3.219,678 4.631,679 0.718,680 264.28,681 2.996,682 4.533,683 5.371,684 6.244,685 7.106,686 7.985,687 8.855,688 9.738,689 10.612,690 11.496,691 7.7,701 1,702 1,709 8,710 1,714 3,716 12,731 1,738 26,739 16,740 1,741 19,743 27,744 11,745 11,746 1,747 5,752 2,753 2,768 11,772 4,775 1,776 1,778 4,786 1,789 8,790 5,792 7,793 1,797 2,803 1,804 4,816 1,823 2,855 2,857 1,862 18,865 1,886 15.4,889 2,892 2,893 10.083,894 4.65,895 3.944,896 1.344,898 2.346,899 1.393,900 0.967,901 3.194,902 8.31,903 3.401,904 4.06,905 4.575,906 5.037,907 5.524,908 5.736,909 6.195,910 5.829,911 6.09,912 6.326,913 1,914 28,915 6.859,917 3.245,918 8.551,919 11.821,921 9.584,924 3.051,925 54.917,929 94.169,930 86.857,931 22.456,933 95.06,935 6.046,936 80.811,937 189.229,938 22.456,939 5.67,941 72.38,942 72.87,943 13.355,944 1.122,945 82.398,946 50.747,947 94.169,948 103.266,949 95.06,950 6.046,952 94.169,953 44.313,954 50.747,956 9.047,957 71.763,958 28.502,960 94.169,961 117.515,962 86.857,964 6.046,965 94.169,966 5.429,967 81.051,969 111.845,970 94.169,971 117.515,972 86.857,973 0.592,974 0.345,975 0.16,976 0.08,977 13,978 6,979 0.111,980 3,982 1,983 2.935,984 124.92,986 12,987 67.059,992 1,993 12.368,994 4.649,995 2.453,997 111.845,998 10.939,999 3.618,1003 -0.354,1006 298.541,1007 29,1010 -0.633,1011 -3.715,1013 45.061,1020 27.24,1021 29,1022 0.41,1023 0.61,1024 0.751,1025 0.879,1026 0.902,1027 0.902,1028 4.615,1029 1,1030 5.416,1031 2.275,1032 4.007,1033 4.745,1034 3.388,1035 6.304,1036 3.86,1037 5.89,1038 -0.496,1039 7.05,1040 2.136,1041 3.892,1042 4.924,1043 2.361,1044 7.738,1045 3.528,1046 7.267,1047 -0.732,1048 8.82,1049 -1.182,1050 5.74,1051 7.142,1052 5.372,1053 10.792,1054 5.344,1055 8.696,1056 -1,1057 10.673,1058 -1.649,1059 6.463,1060 8.147,1061 4.506,1062 13.054,1063 5.8,1064 10.165,1065 -1,1066 12.582,1067 -2,1068 7.886,1069 9.922,1070 7.439,1071 15.775,1072 7.168,1073 11.663,1074 -1,1075 14.527,1076 -2.347,1077 8.934,1078 11.259,1079 6.556,1080 18.281,1081 7.957,1082 13.184,1083 -1,1084 16.496,1085 -3,1086 10.227,1087 12.893,1088 9.539,1089 20.922,1090 9.15,1091 3.511,1092 -1.531,1093 18.483,1094 -3,1095 11.399,1096 14.365,1097 8.548,1098 23.5,1099 10.09,1100 2.732,1101 13.61,1102 20.483,1103 -4.789,1104 12.655,1105 15.955,1106 11.658,1107 26.12,1108 11.212,1109 2.201,1110 8.182,1111 22.492,1112 4.862,1113 13.875,1114 17.485,1115 10.509,1116 28.72,1117 12.222,1118 1.732,1119 6.523,1120 24.507,1121 3.909,1122 15.124,1123 19.062,1124 13.789,1125 31.334,1126 13.315,1127 1.24,1128 4.301,1129 26.528,1130 3.207,1131 16.363,1132 20.618,1133 12.452,1134 33.941,1135 14.36,1136 1,1137 2.873,1138 28.553,1139 2.746,1140 17.613,1141 22.193,1142 15.928,1143 36.553,1144 15.443,1145 1,1146 2.499,1147 30.58,1148 1.925,1149 18.86,1150 23.761,1151 14.386,1152 39.162,1153 16.505,1154 2603,1155 5588,1156 12.019,1157 18.761,1158 28.956,1159 30.753,1160 29.511,1161 28.948,1162 28.831,1163 42.536,1164 11.125,1165 84.797,1166 27.059,1167 5.716,1168 7.351,1169 7.468,1170 5.485,1171 5.511,1172 7.862,1173 5.9,1174 21.569,1175 4.977,1176 9.734,1177 1.524,1178 1.619,1179 1.553,1180 1.524,1181 1.517,1182 2.239,1183 0.586,1184 4.463,1185 1.424,1186 4.125,1187 4.105,1188 4.752,1189 4.128,1190 7.815,1191 4.034,1192 3.88,1193 3.905,1194 3.875,1195 3.735,1196 7.715,1197 3.746,1198 3.622,1199 3.61,1200 3.674,1201 3.479,1202 6.999,1203 3.431,1204 3.273,1205 3.27,1206 3.306,1207 2.869,1208 6.999,1209 2.955,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 4.804,1215 2.715,1216 2.768,1217 2.851,1218 2.625,1219 2.548,1220 4.705,1221 2.567,1222 2.624,1223 2.677,1224 2.506,1225 2.475,1226 3.812,1227 2.468,1228 2.304,1229 2.345,1230 2.245,1231 2.046,1232 3.674,1233 2.079,1234 0.262,1235 0.282,1236 0.403,1237 0.23,1238 0.185,1239 4.969,1240 0.256,1241 5.351,1242 0.155,1243 7.666,1244 0.716,1245 4.368,1246 0.157,1247 3.511,1248 4.862,1249 2.95,1250 13.61,1251 2.977,1252 2.004,1253 2.02,1254 2.004,1255 2.101,1256 1.209,1257 2.108,1258 1.813,1259 1.781,1260 1.908,1261 1.975,1262 0.952,1263 1.957,1264 1.411,1265 1.442,1266 1.248,1267 1.679,1268 0.552,1269 1.638,1270 1.004,1271 0.988,1272 1.181,1273 1.344,1274 0.218,1275 1.326,1276 0.886,1277 0.821,1278 1.093,1279 1.062,1280 0.131,1281 1.107,1282 0.729,1283 0.652,1284 0.969,1285 0.988,1287 1.008,1288 0.593,1289 0.554,1290 0.691,1291 0.813,1293 0.848,1294 0.183,1295 0.144,1296 0.4,1297 0.498,1299 0.509,1300 3.664,1302 4.99,1304 6.532,1306 8.16,1308 9.831,1326 18.67,1327 50.158,1328 74.56,1329 91.805,1330 107.457,1331 110.211,1332 110.211,1333 42.802,1334 5.964,1335 92.85,1336 101.23,1337 12,1338 12.031,1339 4.087,1340 3.459,1341 30.995,1342 49,1343 46,1344 0.323,1345 121.712,1346 209.53,1347 288.738,1348 2259,1350 13.173,1351 0.732,1352 0.548,1353 13.423,1354 9.871,1355 8.515,1356 0.448,1357 0.337,1358 4.966,1359 7.309,1360 4.763,1361 3.96,1362 9.304,1363 6.405,1364 8.012,1365 0.297,1366 0.197,1367 9.331,1368 5.325,1369 6.424,1370 0.189,1371 0.116,1372 7.765,1373 3.945,1374 4.71,1375 0.124,1376 0.067,1377 5.806,1378 2.555,1379 3.419,1380 0.078,1381 0.039,1382 4.312,1383 1.698,1384 0.489,1385 62.329,1386 0.288,1387 17.934,1388 0.934,1389 92,1390 387.093,1391 144.094,1392 388.337,1393 502.73,1394 350,1395 107,1396 332.583,1397 164.964,1398 366.032,1399 526.34,1400 340,1401 5.249}
{0 CHEMBL1520852,1 1.736,2 7.278,3 3.194,4 10.204,5 75.135,6 9.439,7 0.316,8 3.496,9 3.598,10 3.262,11 3.125,12 4.661,13 3.087,14 3.998,15 4.161,16 3.671,17 3.493,18 5.139,19 3.441,20 4.196,21 4.33,22 3.963,23 3.622,24 5.556,25 3.544,26 4.269,27 4.505,28 3.584,29 3.476,30 5.395,31 3.366,32 4.038,33 4.221,34 3.255,35 3.353,36 5.13,37 3.224,38 4.156,39 4.453,40 3.301,41 3.256,42 5.142,43 3.132,44 3.694,45 3.853,46 3.293,47 3.109,48 5.012,49 3.021,50 3.624,51 3.768,52 3.067,53 2.935,54 4.929,55 2.762,56 0.058,57 0.407,58 3.786,59 2.493,60 4.465,61 3.114,62 0.172,63 0.636,64 9.858,65 4.319,66 13.552,67 5.469,68 0.377,69 0.722,70 16.873,71 5.3,72 38.32,73 6.283,74 0.396,75 0.738,76 20.295,77 6.525,78 46.898,79 8.357,80 0.162,81 0.628,82 11.64,83 4.881,84 20.514,85 6.097,86 0.356,87 0.638,88 23.144,89 6.122,90 39.461,91 7.907,92 0.169,93 0.404,94 10.119,95 3.266,96 17.909,97 3.699,98 0.24,99 0.302,100 10.733,101 3.548,102 39.002,103 3.617,104 26,105 27,106 0.333,107 0.638,108 0.731,109 0.761,110 0.779,111 0.779,112 2.96,113 0.981,114 -4.79,115 -4.71,116 -4.42,120 43.3,121 2,126 1,139 2,143 3,144 3,155 1,159 1,167 1,174 8,176 1,177 1,185 10,188 1,189 6,197 8,201 8,209 3,214 7,222 1,227 5,235 3,240 3,247 4,260 5,271 3,274 332,275 11.516,276 11.516,277 11.516,278 11.516,279 11.516,280 10.104,281 14.448,282 6.606,283 11.794,284 9.325,285 9.325,286 9.325,287 9.325,288 9.325,289 7.17,290 18.572,291 3.137,292 9.913,293 3.171,294 1.584,295 1.101,296 0.942,297 0.85,298 0.85,299 3.607,303 2,305 1,306 1,307 1,308 268,309 2.121,313 117.53,320 1.086,321 18.577,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 38.667,333 131,334 4.394,335 3.811,336 6.516,337 4,338 3.065,339 3.848,340 1.081,341 9.959,342 2.867,343 4.157,344 3.026,345 5.727,346 3.746,347 2.758,348 3.78,349 0.473,350 8.02,351 2.701,352 3.547,353 2.92,354 5.467,355 3.185,356 2.276,357 2.72,359 6.849,360 2.044,361 3.243,362 2.488,363 4.849,364 2.879,365 1.879,366 2.481,368 5.414,369 1.879,370 3.232,371 2.147,372 4.618,373 2.847,374 1.879,375 2.421,377 4.963,378 1.719,379 3.048,380 2.127,381 4.468,382 2.542,383 1.606,384 2.085,386 4.234,387 1.469,388 1.935,389 1.813,390 3.183,391 1.35,392 0.393,393 0.533,395 0.978,396 0.349,397 1.527,398 1.166,399 2.785,400 0.998,401 0.27,402 0.316,404 0.589,405 0.153,406 1.008,407 0.084,408 2.579,409 0.653,410 -0.347,411 -0.441,413 -0.891,414 -0.323,415 1,416 -0.11,417 2.382,418 0.616,419 -0.347,420 -0.445,422 -0.942,423 -0.347,424 0.525,425 -0.169,426 2.114,427 0.341,428 -0.628,429 -0.696,431 -1.5,432 -0.576,433 0.032,434 -0.25,435 1.537,436 -0.212,437 -1.108,438 -1.21,440 -2.79,441 -0.779,443 -0.753,444 1.477,445 -0.324,446 -1.264,447 -1.566,449 -3.309,450 -1.035,452 -1.076,453 1.314,454 -0.532,455 -1.438,456 -1.712,458 -4.072,459 -1.311,460 -0.232,461 -1.189,462 1.198,463 -0.63,464 -1.532,465 -2.036,467 -4.091,468 -1.493,469 9.062,470 0.503,471 0.617,472 0.034,473 21.5,474 1.194,475 10.5,476 0.583,477 11,478 0.611,479 14.538,480 0.808,481 19.138,482 0.638,483 13.955,484 0.775,485 4.383,486 0.244,487 4.086,488 0.227,489 0.305,491 0.375,496 0.515,497 1.158,498 0.508,499 0.84,500 0.538,501 0.843,502 0.641,503 1.056,504 0.535,505 0.675,506 0.562,507 0.692,508 0.626,509 1.322,510 0.777,511 1.207,512 0.746,513 1.185,514 0.62,515 0.945,516 0.601,517 0.892,518 0.76,519 0.876,520 0.829,521 1.483,522 0.883,523 1.331,524 0.859,525 1.394,526 0.944,527 0.479,528 0.622,529 0.41,530 0.872,531 0.435,532 1.396,533 0.848,534 1.176,535 0.936,536 1.232,537 0.971,538 2.13,539 1.048,540 1.57,541 1.172,542 2.801,543 1.367,544 5,546 2.222,547 1.813,548 1.098,549 0.403,550 0.427,551 0.255,552 0.148,553 0.016,554 2495,555 8959,556 1.931,557 40,558 6,559 5,561 1,567 1.588,568 1.742,569 2.895,570 -0.709,572 1,574 1,575 52.081,576 1.736,577 3.323,578 3.806,579 3.965,580 4.057,581 4.057,582 2.261,583 3.614,584 4.147,585 3.005,586 459.822,587 7.039,588 4336.18,589 1,590 1,591 1,592 1,593 147.207,594 1.572,595 4.056,596 0.263,598 0.082,599 0.067,600 0.052,601 0.025,602 0.025,603 0.017,604 0.018,605 0.005,606 0.556,607 0.83,608 1,609 0.745,610 75.778,611 0.053,612 -0.015,613 0.011,614 -0.03,615 -0.047,616 -0.018,617 0.066,618 0.037,619 0.131,620 0.191,621 0.055,622 0.2,623 0.316,624 -0.27,625 0.086,626 -0.317,627 0.164,628 -0.318,629 0.229,630 -0.004,631 0.186,632 0.062,633 0.184,634 0.138,635 -0.099,636 -0.485,637 -0.195,638 -0.443,639 -0.096,640 -0.468,641 -0.025,642 0.443,643 0.289,644 0.6,645 0.063,646 0.652,647 -0.285,648 0.181,649 -0.148,650 0.008,651 -0.093,652 -0.072,653 -0.525,654 -0.239,655 -0.312,656 -0.11,657 -0.65,658 -0.411,659 2.039,660 4.848,661 0.667,662 10.222,663 1.016,664 1.12,665 3.564,666 12.702,667 0.725,668 2.996,669 3.332,670 3.526,671 3.714,672 3.829,673 3.829,674 3.714,675 3.738,676 3.761,677 3.555,678 4.579,679 0.686,680 283.17,681 2.996,682 4.533,683 5.361,684 6.232,685 7.074,686 7.948,687 8.794,688 9.668,689 10.516,690 11.39,691 6.7,698 1,700 1,709 3,714 3,716 6,738 30,739 9,740 1,741 19,743 31,744 13,745 6,746 3,747 3,748 4,749 2,752 2,753 2,754 2,755 1,759 2,768 10,769 3,771 2,772 3,778 1,780 1,781 1,782 3,785 1,786 1,789 12,790 3,792 5,793 2,797 2,803 1,804 1,823 2,845 2,855 2,859 2,860 2,862 18,869 1,875 1,885 2,886 3.3,889 1,893 10.333,894 6.186,895 3.917,896 1.703,898 1.904,899 1.314,900 0.954,901 3.856,902 7.966,903 3.258,904 3.839,905 4.314,906 4.753,907 5.131,908 5.225,909 5.222,910 5.511,911 5.91,912 5.991,913 0.8,914 27,915 6.614,917 2.755,918 7.929,919 12.356,921 9.76,924 2.429,925 43.722,926 0.001,929 141.253,930 78.495,931 19.665,932 78.297,933 25.145,936 78.495,937 244.695,938 19.665,939 17.65,940 5.107,941 28.429,942 57.669,943 26.22,945 129.482,946 78.297,947 141.253,948 98.16,949 25.145,950 78.297,952 141.253,953 25.145,956 39.421,957 42.69,958 94.346,960 141.253,961 44.81,962 156.792,965 141.253,966 23.368,967 58.128,969 120.105,970 141.253,971 44.81,972 156.792,973 0.595,974 0.34,975 0.17,976 0.083,977 13,978 7,979 0.065,980 2,982 1,983 2.926,984 124.459,986 12,987 69.059,993 13.28,994 5.227,995 3.008,997 44.81,998 6.113,1003 3.316,1006 342.855,1007 25,1013 11.848,1015 1.383,1016 3.981,1017 -0.183,1020 30.48,1021 33.585,1022 0.354,1023 0.677,1024 0.776,1025 0.808,1026 0.827,1027 0.827,1028 4.505,1029 0.27,1030 5.38,1031 0.978,1032 4.007,1033 4.522,1034 1.331,1035 6.176,1036 3.895,1037 5.737,1038 -0.347,1039 6.946,1040 0.589,1041 3.761,1042 4.425,1044 7.024,1045 3.559,1046 7.056,1047 -0.347,1048 8.605,1049 -0.891,1050 5.602,1051 6.666,1052 1.343,1053 10.09,1054 5.402,1055 8.402,1056 -0.628,1057 10.312,1058 -0.942,1059 6.066,1060 7.267,1062 11.678,1063 5.76,1064 9.772,1065 -1.108,1066 12.051,1067 -1.5,1068 7.459,1069 9.053,1070 1.438,1071 14.302,1072 7.158,1073 11.159,1074 -1.264,1075 13.812,1076 -2.79,1077 8.256,1078 9.995,1080 16.238,1081 7.857,1082 12.561,1083 -1.438,1084 15.589,1085 -3.309,1086 9.473,1087 11.578,1088 1.555,1089 18.683,1090 9.061,1091 3.065,1092 -1.532,1093 17.381,1094 -4.072,1095 10.431,1096 12.699,1098 20.794,1099 9.931,1100 2.758,1101 9.959,1102 19.185,1103 -4.091,1104 11.576,1105 14.176,1106 1.679,1107 23.158,1108 11.045,1109 2.276,1110 8.02,1111 20.998,1112 3.848,1113 12.61,1114 15.394,1116 25.358,1117 12,1118 1.879,1119 6.849,1120 22.82,1121 3.78,1122 13.728,1123 16.814,1124 1.807,1125 27.685,1126 13.072,1127 1.879,1128 5.414,1129 24.65,1130 2.72,1131 14.798,1132 18.084,1134 29.931,1135 14.07,1136 1.606,1137 4.963,1138 26.485,1139 2.481,1140 15.906,1141 19.471,1142 1.939,1143 32.242,1144 15.123,1145 0.393,1146 4.234,1147 28.326,1148 2.421,1149 16.995,1150 20.77,1152 34.512,1153 16.14,1154 2592,1155 5086,1156 11.849,1157 21.75,1158 29.114,1159 31.199,1160 29.866,1161 28.189,1162 28.253,1163 36.368,1164 3.107,1165 82.012,1166 26.363,1167 5.258,1168 5.811,1169 5.81,1170 5.036,1171 5.065,1172 6.848,1173 2.162,1174 17.116,1175 4.867,1176 11.055,1177 1.532,1178 1.642,1179 1.572,1180 1.484,1181 1.487,1182 1.914,1183 0.164,1184 4.316,1185 1.388,1186 3.979,1187 4.01,1188 4.099,1189 3.913,1190 7.428,1191 3.909,1192 3.795,1193 3.82,1194 3.882,1195 3.671,1196 5.005,1197 3.681,1198 3.266,1199 3.35,1200 3.383,1201 3.136,1202 4.728,1203 3.124,1204 3.264,1205 3.324,1206 3.329,1207 3.125,1208 4.493,1209 3.101,1210 2.953,1211 2.971,1212 3.067,1213 2.714,1214 4.373,1215 2.747,1216 2.844,1217 2.928,1218 2.926,1219 2.621,1220 3.966,1221 2.622,1222 2.588,1223 2.658,1224 2.761,1225 2.367,1226 3.841,1227 2.344,1228 2.429,1229 2.537,1230 2.378,1231 2.229,1232 3.33,1233 2.191,1234 0.231,1235 0.201,1236 0.343,1237 0.211,1238 0.161,1239 4.394,1240 0.203,1241 3.811,1242 0.057,1243 6.516,1244 0.524,1245 4,1246 0.151,1247 3.065,1248 3.848,1249 1.081,1250 9.959,1251 2.867,1252 1.957,1253 1.931,1254 2.077,1255 2.046,1256 1.238,1257 2.056,1258 1.692,1259 1.673,1260 1.725,1261 1.868,1262 0.86,1263 1.841,1264 1.303,1265 1.226,1266 1.639,1267 1.507,1268 0.719,1269 1.557,1270 1.263,1271 1.204,1272 1.495,1273 1.429,1274 0.646,1275 1.466,1276 0.837,1277 0.791,1278 1.203,1279 1.107,1280 0.321,1281 1.139,1282 0.787,1283 0.709,1284 0.921,1285 1.059,1287 1.029,1288 0.54,1289 0.469,1290 0.879,1291 0.767,1293 0.801,1294 0.477,1295 0.374,1296 0.856,1297 0.726,1299 0.784,1300 3.664,1302 4.99,1304 6.506,1306 8.111,1308 9.759,1310 4.031,1311 11.538,1315 0.387,1321 1.308,1326 20.573,1327 52.081,1328 99.697,1329 114.187,1330 118.942,1331 121.697,1332 121.697,1333 32.293,1334 6.061,1335 34.89,1336 34.89,1337 12,1338 11.935,1339 3.322,1340 2.807,1341 30.963,1342 50,1343 40,1344 0.319,1345 137.37,1346 243.21,1347 326.944,1348 2659,1349 6.7,1350 13.284,1351 0.738,1352 0.644,1353 14.284,1354 11.587,1355 8.469,1356 0.446,1357 0.327,1358 5.461,1359 7.703,1360 5.15,1361 4.318,1362 9.047,1363 6.21,1364 8.052,1365 0.298,1366 0.187,1367 8.756,1368 5.05,1369 6.376,1370 0.193,1371 0.1,1372 7.413,1373 3.305,1374 5.017,1375 0.125,1376 0.054,1377 5.472,1378 2.162,1379 3.38,1380 0.075,1381 0.026,1382 3.701,1383 1.188,1384 0.485,1385 58.773,1386 0.291,1387 17.856,1388 0.917,1389 92,1390 297.433,1391 129.388,1392 350.211,1393 449.07,1394 322,1395 106,1396 278.176,1397 143.967,1398 304.243,1399 441.11,1400 282,1401 4.664}
{0 CHEMBL1521074,1 1.855,2 8.667,3 3.666,4 13.44,5 74.953,6 11.141,7 0.526,8 3.413,9 3.451,10 3.425,11 3.181,12 4.646,13 3.094,14 3.889,15 3.963,16 3.938,17 3.56,18 5.192,19 3.429,20 3.952,21 4.025,22 3.712,23 3.39,24 5.357,25 3.284,26 3.872,27 3.975,28 3.422,29 3.139,30 5.28,31 3.105,32 3.753,33 3.866,34 3.396,35 3.039,36 5.357,37 2.979,38 3.654,39 3.765,40 3.366,41 2.979,42 5.053,43 2.907,44 3.389,45 3.478,46 3.359,47 3.002,48 4.793,49 2.869,50 3.435,51 3.577,52 3.266,53 2.995,54 4.771,55 2.809,56 0.089,57 0.293,58 1.37,59 2.314,60 8.893,61 2.374,62 0.299,63 0.507,64 9.247,65 4.755,66 28.468,67 4.382,68 0.36,69 0.58,70 17.849,71 6.548,72 36.96,73 4.846,74 0.343,75 0.493,76 10.616,77 4.739,78 43.866,79 3.753,80 0.417,81 0.443,82 10.118,83 4.395,84 64.646,85 3.684,86 0.407,87 0.396,88 11.654,89 4.135,90 39.765,91 2.945,92 0.153,93 0.31,94 6.239,95 3.121,96 22.333,97 2.549,98 0.228,99 0.35,100 9.844,101 3.84,102 31.634,103 3.59,104 17,105 26,106 0.362,107 0.684,108 0.806,109 0.864,110 0.878,111 0.878,112 2.959,113 1.12,114 -3.87,115 -3.83,116 -3.63,120 44.4,121 1,126 1,143 4,153 3,154 1,158 1,159 1,174 2,176 1,185 8,188 1,189 6,197 2,201 5,213 1,214 4,227 5,240 2,247 4,252 2,260 4,271 5,274 348,275 11.723,276 11.723,277 11.723,278 11.723,279 11.723,280 10.247,281 9.355,282 6.869,283 12.359,284 9.338,285 9.338,286 9.338,287 9.338,288 9.338,289 7.026,290 6.184,291 3.268,292 10.435,293 2.9,294 1.245,295 0.621,296 0.324,297 0.25,298 0.25,299 3.604,304 1,306 1,307 1,308 324,309 3.162,312 113.381,320 1.259,321 24.713,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 39.333,333 156,334 4.254,335 3.716,336 6.092,337 3.828,338 2.895,339 3.85,340 1.797,341 8.825,342 2.712,343 4.213,344 3.566,345 6.042,346 3.752,347 2.828,348 3.829,349 1.338,350 8.681,351 2.608,352 3.597,353 2.922,354 5.019,355 3.145,356 2.244,357 2.879,359 5.963,360 2.019,361 3.498,362 2.633,363 4.966,364 3.022,365 2.119,366 2.766,368 5.764,369 1.813,370 2.716,371 1.855,372 4.127,373 2.273,374 1.39,375 1.751,377 3.647,378 1.187,379 2.582,380 1.729,381 3.811,382 2.045,383 1.089,384 1.528,386 2.796,387 0.977,388 2.183,389 1.649,390 3.271,391 1.613,392 0.718,393 1.037,395 1.708,396 0.621,397 2.163,398 0.754,399 3.262,400 1.542,401 0.659,402 0.98,404 1.622,405 0.561,406 1.67,407 0.728,408 2.757,409 1.185,410 0.217,411 0.288,413 0.476,414 0.199,415 0.539,416 0.363,417 2.125,418 0.181,419 -0.758,420 -0.878,422 -1.784,423 -0.413,424 0.487,425 -0.018,426 1.613,427 0.054,428 -0.764,429 -0.911,431 -1.786,432 -0.708,433 0.402,434 -0.356,435 1.602,436 -0.098,437 -1,438 -1.305,440 -2.418,441 -1.013,442 0.151,443 -0.584,444 1.579,445 -0.259,446 -1.26,447 -1.725,449 -3.419,450 -1.212,451 0.035,452 -1.163,453 1.339,454 -0.356,455 -1.3,456 -1.754,458 -3.853,459 -1.217,460 -0.307,461 -1.287,462 1.129,463 -0.757,464 -1.683,465 -2,467 -4.283,468 -1.353,469 9.381,470 0.521,471 0.527,472 0.029,473 21.75,474 1.208,475 11,476 0.611,477 10.75,478 0.597,479 14.139,480 0.785,481 18.819,482 0.697,483 12.877,484 0.715,485 4.199,486 0.233,487 4.36,488 0.242,489 0.201,491 0.32,496 0.633,497 0.872,498 0.622,499 0.732,500 0.547,501 0.736,502 0.729,503 0.799,504 0.641,505 0.689,506 0.595,507 0.695,508 0.987,509 1.45,510 1.393,511 1.616,512 1.082,513 1.292,514 1.517,515 1.187,516 0.892,517 1.04,518 1.598,519 1.074,520 1.178,521 0.989,522 0.829,523 0.908,524 1.018,525 0.931,526 1.536,527 0.68,528 1.01,529 0.859,530 1.499,531 0.839,532 0.995,533 0.885,534 0.576,535 0.66,536 1.373,537 0.811,538 0.621,539 0.774,540 1.049,541 0.947,542 0.79,543 0.833,544 4.5,545 0.057,546 2.444,547 1.194,548 0.82,549 0.382,550 0.245,551 0.207,552 0.125,553 0.06,554 2873,555 11995,556 1.963,557 33.3,559 6,563 3,567 1.581,568 1.8,569 3.129,570 -0.654,574 1,575 50.078,576 1.855,577 3.51,578 4.134,579 4.431,580 4.505,581 4.505,582 2.503,583 3.17,584 4.146,585 3.232,586 494.535,587 7.006,588 4813.37,589 1,590 1,592 1,593 128.382,594 1.53,595 4.076,596 0.237,597 0.014,598 0.094,599 0.057,600 0.046,601 0.024,602 0.017,603 0.015,604 0.01,605 0.007,606 0.521,607 0.5,608 1,609 0.714,610 77.73,611 -0.035,612 0.012,613 0.015,614 0.048,615 -0.049,616 0.026,617 0.09,618 0.167,619 0.22,620 0.269,621 0.049,622 0.194,623 0.037,624 -0.435,625 -0.309,626 -0.507,627 -0.033,628 -0.352,629 -0.267,630 -0.251,631 -0.139,632 -0.199,633 -0.25,634 -0.194,635 0.09,636 -0.025,637 0.007,638 -0.008,639 0.268,640 0.002,641 -0.188,642 0.301,643 -0.037,644 0.091,645 -0.222,646 0.106,647 -0.126,648 0.066,649 0.22,650 0.249,651 -0.143,652 0.079,653 0.137,654 0.255,655 0.095,656 0.182,657 0.116,658 0.268,659 2.135,660 4.677,661 0.556,662 11.037,663 1.032,664 1.092,665 2.638,666 6.96,667 0.79,668 2.996,669 3.296,670 3.466,671 3.611,672 3.555,673 3.434,674 3.219,675 3.296,676 3.367,677 3.219,678 5.194,679 0.74,680 300.8,681 2.996,682 4.511,683 5.323,684 6.172,685 7.002,686 7.848,687 8.684,688 9.528,689 10.366,690 11.209,709 4,713 2,714 4,716 10,721 1,726 1,737 1,738 27,739 12,741 19,743 28,744 12,745 8,748 2,752 2,753 2,754 1,759 1,768 10,769 2,772 2,778 2,782 2,786 1,789 9,790 3,792 6,793 3,803 1,804 3,822 2,855 2,857 2,859 1,860 1,862 18,869 1,872 1,880 2,885 1,886 11.1,889 2,891 1,893 10,894 5.31,895 3.972,896 1.466,898 1.58,899 1.27,900 0.957,901 4.512,902 7.423,903 3.296,904 3.861,905 4.353,906 4.805,907 4.838,908 4.844,909 4.407,910 4.691,911 5.051,912 5.094,913 0.833,914 21,915 6.652,917 2.803,918 8.099,919 12.26,921 9.677,924 2.599,925 46.778,926 0.001,929 105.94,930 131.951,932 39.149,933 61.29,935 62.555,936 69.396,937 206.378,939 8.825,940 4.592,941 37.905,942 62.615,943 12.673,944 43.224,945 168.495,947 105.94,948 69.396,949 61.29,950 101.704,952 105.94,953 61.29,956 15.091,957 54.305,959 101.704,960 105.94,961 61.29,962 171.1,965 105.94,966 85.221,967 46.73,969 100.438,970 105.94,971 61.29,972 171.1,973 0.586,974 0.329,975 0.16,976 0.077,977 12,978 6,979 0.179,980 5,982 1,983 3.081,984 118.172,986 10,987 75.059,989 2,993 13.686,994 5.934,995 3.626,997 61.29,998 6.791,1002 2.518,1003 2.566,1006 338.33,1007 26,1013 23.289,1017 -0.711,1020 27.876,1021 29.488,1022 0.39,1023 0.738,1024 0.869,1025 0.932,1026 0.947,1027 0.947,1028 4.505,1029 0.659,1030 5.313,1031 1.708,1032 3.97,1033 4.543,1034 2.402,1035 6.061,1036 3.778,1037 5.716,1038 0.217,1039 6.847,1040 1.622,1041 3.611,1042 4.369,1044 6.843,1045 3.341,1046 7.014,1047 -0.758,1048 8.474,1049 0.476,1050 5.517,1051 6.681,1052 3.342,1053 9.854,1054 5.171,1055 8.347,1056 -0.764,1057 10.152,1058 -1.784,1059 5.943,1060 7.33,1062 11.43,1063 5.528,1064 9.708,1065 -1,1066 11.862,1067 -1.786,1068 7.332,1069 9.081,1070 4.381,1071 13.936,1072 6.851,1073 11.087,1074 -1.26,1075 13.594,1076 -2.418,1077 8.095,1078 10.095,1080 15.837,1081 7.545,1082 12.479,1083 -1.3,1084 15.342,1085 -3.419,1086 9.284,1087 11.619,1088 5.478,1089 18.155,1090 8.673,1091 2.895,1092 -1.683,1093 17.102,1094 -3.853,1095 10.201,1096 12.806,1098 20.201,1099 9.519,1100 2.828,1101 8.825,1102 18.871,1103 -4.283,1104 11.309,1105 14.23,1106 6.608,1107 22.439,1108 10.566,1109 2.244,1110 8.681,1111 20.646,1112 3.85,1113 12.297,1114 15.5,1116 24.55,1117 11.483,1118 2.119,1119 5.963,1120 22.427,1121 3.829,1122 13.371,1123 16.88,1124 7.758,1125 26.753,1126 12.496,1127 1.39,1128 5.764,1129 24.212,1130 2.879,1131 14.393,1132 18.189,1134 28.895,1135 13.447,1136 1.089,1137 3.647,1138 26.001,1139 2.766,1140 15.454,1141 19.55,1142 8.917,1143 31.081,1144 14.444,1145 0.718,1146 2.796,1147 27.792,1148 1.751,1149 16.492,1150 20.878,1152 33.238,1153 15.412,1154 2916,1155 6088,1156 12.137,1157 21.324,1158 29.117,1159 30.16,1160 29.43,1161 28.514,1162 28.318,1163 37.814,1164 6.27,1165 78.963,1166 25.391,1167 5.16,1168 5.574,1169 5.411,1170 4.957,1171 4.895,1172 6.482,1173 3.595,1174 15.08,1175 4.595,1176 10.07,1177 1.532,1178 1.587,1179 1.549,1180 1.501,1181 1.49,1182 1.99,1183 0.33,1184 4.156,1185 1.336,1186 3.927,1187 3.921,1188 4.334,1189 3.954,1190 7.436,1191 3.877,1192 3.864,1193 3.86,1194 4.243,1195 3.919,1196 7.423,1197 3.832,1198 3.452,1199 3.46,1200 3.504,1201 3.234,1202 4.892,1203 3.258,1204 3.17,1205 3.212,1206 3.245,1207 2.978,1208 4.644,1209 2.986,1210 2.907,1211 2.941,1212 2.992,1213 2.65,1214 4.345,1215 2.662,1216 2.528,1217 2.561,1218 2.688,1219 2.438,1220 4.141,1221 2.368,1222 2.393,1223 2.413,1224 2.683,1225 2.335,1226 3.708,1227 2.219,1228 2.114,1229 2.117,1230 2.681,1231 2.205,1232 3.107,1233 2.016,1234 0.224,1235 0.196,1236 0.321,1237 0.201,1238 0.152,1239 4.254,1240 0.203,1241 3.716,1242 0.095,1243 6.092,1244 0.464,1245 3.828,1246 0.143,1247 2.895,1248 3.85,1249 1.797,1250 8.825,1251 2.712,1252 1.623,1253 1.623,1254 1.766,1255 1.799,1256 0.883,1257 1.774,1258 1.568,1259 1.532,1260 1.714,1261 1.681,1262 0.868,1263 1.719,1264 1.484,1265 1.492,1266 1.55,1267 1.58,1268 0.69,1269 1.595,1270 1.386,1271 1.393,1272 1.465,1273 1.451,1274 0.621,1275 1.491,1276 1.038,1277 1.024,1278 1.046,1279 1.178,1280 0.399,1281 1.216,1282 0.804,1283 0.74,1284 0.929,1285 0.997,1286 0.201,1287 1.058,1288 0.416,1289 0.433,1290 0.52,1291 0.637,1293 0.663,1294 0.106,1295 0.081,1296 0.377,1297 0.52,1299 0.481,1300 3.664,1302 4.963,1303 3.045,1304 6.412,1305 5.283,1306 7.926,1307 7.248,1308 9.477,1310 1.903,1311 5.726,1315 -0.257,1318 4.952,1326 19.98,1327 50.078,1328 94.772,1329 111.627,1330 119.627,1331 121.627,1332 121.627,1333 35.678,1334 5.844,1335 43.37,1336 99.85,1337 10,1338 11.773,1339 3.7,1340 3,1341 31.223,1342 57,1343 46,1344 0.275,1345 136.111,1346 232.4,1347 323.87,1348 2090,1349 3.7,1350 13.121,1351 0.729,1352 0.657,1353 14.328,1354 11.825,1355 8.559,1356 0.45,1357 0.373,1358 5.193,1359 7.121,1360 4.847,1361 4.001,1362 9.664,1363 7.092,1364 7.889,1365 0.303,1366 0.251,1367 9.856,1368 6.516,1369 6.158,1370 0.199,1371 0.141,1372 7.994,1373 4.377,1374 4.533,1375 0.126,1376 0.084,1377 6.182,1378 3.01,1379 3.047,1380 0.09,1381 0.048,1382 4.351,1383 1.625,1384 0.433,1385 64.755,1386 0.287,1387 18.394,1388 0.74,1389 90,1390 345.131,1391 171.256,1392 395.342,1393 509.38,1394 366,1395 102,1396 297.076,1397 161.261,1398 340.448,1399 497.14,1400 318,1401 4.692}
{0 CHEMBL1521861,1 1.404,2 10.7,3 4.92,4 24.202,5 122.831,6 6.47,7 0.485,8 4.217,9 4.359,10 3.676,11 3.713,12 5.18,13 3.669,14 4.8,15 5.017,16 4.047,17 4.131,18 5.661,19 4.068,20 5.037,21 5.253,22 4.12,23 4.311,24 5.909,25 4.205,26 5.254,27 5.559,28 4.102,29 4.326,30 6.001,31 4.202,32 5.105,33 5.348,34 4.053,35 4.312,36 5.941,37 4.189,38 5.22,39 5.519,40 4.04,41 4.318,42 5.954,43 4.182,44 5.054,45 5.298,46 4.043,47 4.305,48 5.878,49 4.183,50 5.134,51 5.388,52 3.957,53 4.329,54 5.911,55 4.175,56 0.09,57 0.944,58 15.273,59 5.791,60 12.209,61 8.512,62 0.292,63 1.519,64 28.126,65 9.36,66 23.921,67 14.256,68 0.274,69 1.893,70 35.355,71 12.176,72 32.618,73 18.661,74 0.522,75 2.071,76 44.866,77 12.94,78 44.406,79 21.258,80 0.371,81 1.944,82 38.153,83 12.095,84 39.159,85 19.243,86 0.52,87 1.997,88 43.185,89 13.095,90 42.197,91 21.1,92 0.352,93 1.86,94 36.021,95 12.348,96 34.897,97 19.044,98 0.389,99 1.928,100 39.085,101 13.476,102 35.058,103 20.653,104 34,105 48,106 0.226,107 0.55,108 0.765,109 0.82,110 0.83,111 0.83,112 3.441,113 0.983,114 -5.22,115 -5.11,116 -4.78,120 38.1,121 2,122 4,124 1,125 3,126 2,143 5,144 2,145 1,147 2,154 1,162 1,167 1,174 10,176 1,177 10,180 1,182 2,185 10,188 1,189 11,192 1,194 3,197 6,201 10,204 2,206 3,209 4,213 1,214 11,219 2,222 7,226 2,227 7,232 2,235 10,239 2,240 4,245 1,247 15,251 1,252 4,255 1,257 1,260 13,264 4,271 9,274 1550,275 19.972,276 19.972,277 19.972,278 19.972,279 19.972,280 18.181,281 21.031,282 11.602,283 20.452,284 16.273,285 16.273,286 16.273,287 16.273,288 16.273,289 13.338,290 25.077,291 5.458,292 16.97,293 4.573,294 2.565,295 1.228,296 0.885,297 0.822,298 0.822,299 4.134,306 1,307 1,308 683,309 4.123,312 50.283,313 219.088,316 97.611,317 116.206,320 1.653,321 16.731,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 63.5,333 321,334 4.693,335 3.396,336 6.86,337 4.248,338 3.287,339 4.641,340 0.86,341 11.47,342 3.19,343 4.241,344 3.242,345 6.726,346 4.173,347 3.19,348 3.845,349 0.8,350 10.988,351 3.108,352 4.196,353 2.987,354 6.243,355 3.857,356 2.875,357 3.448,358 0.4,359 9.415,360 2.824,361 3.911,362 2.755,363 5.891,364 3.489,365 2.526,366 3.208,368 8.123,369 2.427,370 3.542,371 2.46,372 5.391,373 3.173,374 2.228,375 2.875,377 6.808,378 2.1,379 3.457,380 2.369,381 5.244,382 3.037,383 2.099,384 2.801,386 6.464,387 1.966,388 3.019,389 2.24,390 4.584,391 2.92,392 2.008,393 2.02,395 4.827,396 1.827,397 2.839,398 1.619,399 4.251,400 2.458,401 1.478,402 1.981,404 3.758,405 1.447,406 2.577,407 1.464,408 4.112,409 2.324,410 1.35,411 1.603,413 3.217,414 1.31,415 2.463,416 1.387,417 3.861,418 2.157,419 1.172,420 1.456,422 3.074,423 1.152,424 2.408,425 1.149,426 3.597,427 2.027,428 1.054,429 1.384,431 2.581,432 1.024,433 2.106,434 1.021,435 3.48,436 1.903,437 0.948,438 1.079,440 2.451,441 0.902,442 1.583,443 0.933,444 3.297,445 1.293,446 0.427,447 0.48,449 0.788,450 0.366,451 1.522,452 0.41,453 2.887,454 1.265,455 0.302,456 0.358,458 0.621,459 0.29,460 1.096,461 -0.032,462 2.707,463 0.775,464 -0.174,465 -0.207,467 -0.496,468 -0.165,469 14.333,470 0.478,471 0.899,472 0.03,473 34.5,474 1.15,475 15,476 0.5,477 19.5,478 0.65,479 32.172,480 1.072,481 33.667,482 0.534,483 25.416,484 0.847,485 6.335,486 0.211,487 8.024,488 0.267,489 0.174,490 0.035,491 0.3,496 0.873,497 1.476,498 0.922,499 1.255,500 0.933,501 1.118,502 1.225,503 1.013,504 0.869,505 0.848,506 0.826,507 0.824,508 0.948,509 1.46,510 1.104,511 1.322,512 0.987,513 1.245,514 1.097,515 0.794,516 0.832,517 0.673,518 0.924,519 0.702,520 1.092,521 1.28,522 1.167,523 1.176,524 1.165,525 1.17,526 1.026,527 0.772,528 0.881,529 0.715,530 0.961,531 0.759,532 0.867,533 1.116,534 1.068,535 1.093,536 1.035,537 1.092,538 0.928,539 1.118,540 1.196,541 1.196,542 1.003,543 1.213,544 7.5,545 0.194,546 3.333,547 2.382,548 1.85,549 1.181,550 0.927,551 0.65,552 0.491,553 0.307,554 10820,555 21402,556 2.059,557 52.4,558 12,559 18,562 1,563 2,567 1.734,568 1.905,569 3.379,570 -0.382,575 88.455,576 1.404,577 3.412,578 4.749,579 5.092,580 5.155,581 5.155,582 2.874,583 4.482,584 4.874,585 3.545,586 1541.96,587 8.54,588 20965.5,590 1,593 376.569,594 1.615,595 4.82,596 0.227,597 0.009,598 0.069,599 0.05,600 0.039,601 0.027,602 0.021,603 0.014,604 0.013,605 0.009,606 0.478,607 0.33,608 1,609 1.509,610 152.251,611 0.105,612 -0.185,613 0.084,614 -0.092,615 0.015,616 -0.021,617 -0.003,618 0.134,619 0.156,620 0.187,621 0.182,622 0.186,623 0.028,624 -0.329,625 -0.11,626 -0.269,627 0.029,628 -0.219,629 -0.019,630 0.193,631 0.176,632 0.229,633 0.084,634 0.228,635 -0.072,636 -0.176,637 -0.165,638 -0.18,639 -0.127,640 -0.181,641 -0.011,642 0.215,643 0.117,644 0.21,645 0.032,646 0.186,647 0.004,648 -0.019,649 -0.083,650 -0.068,651 -0.021,652 -0.081,653 -0.043,654 -0.056,655 -0.216,656 -0.183,657 -0.102,658 -0.21,659 1.108,660 1.979,661 0.633,662 29.978,663 0.987,664 1.135,665 3.986,666 15.892,667 0.637,668 3.526,669 3.892,670 4.143,671 4.466,672 4.718,673 4.905,674 5.136,675 5.333,676 5.481,677 5.537,678 6.427,679 0.59,680 407.62,681 3.526,682 5.094,683 5.948,684 6.855,685 7.733,686 8.648,687 9.539,688 10.458,689 11.358,690 12.279,691 7.9,694 1,696 1,699 1,701 2,708 1,709 5,710 2,714 6,716 16,729 1,735 1,738 63,739 16,740 1,741 33,743 66,744 24,745 12,746 2,747 4,752 4,753 7,759 2,760 1,763 4,766 4,768 12,769 12,789 33,790 5,791 1,792 6,797 5,803 0.5,804 1,814 1,817 1,822 1,823 3,826 1,827 1,851 1,855 2,859 5,862 30,869 6,871 1,872 1,875 1,876 1,886 1.6,891 1,893 15.75,894 12.883,895 6.472,896 3.846,898 3.157,899 1.394,900 0.963,901 6.034,902 11.174,903 3.738,904 4.366,905 4.969,906 5.625,907 6.219,908 6.682,909 7.192,910 7.679,911 8.042,912 8.388,913 1,914 48,915 11.108,917 4.618,918 7.431,919 22.023,921 18.298,924 1.931,925 57.917,928 1,929 376.675,930 128.228,931 55.748,933 11,936 128.228,937 387.675,938 55.748,939 45.326,940 14.35,941 47.381,942 53.175,943 34.744,945 376.675,947 376.675,948 183.976,949 11,952 376.675,953 11,956 45.845,957 86.672,958 51.459,960 376.675,961 66.747,962 128.228,965 376.675,966 35.521,967 96.996,968 18.011,969 44.448,970 376.675,971 66.747,972 128.228,973 0.588,974 0.327,975 0.184,976 0.097,977 24,978 11,979 0.106,980 7,981 2,982 1.211,983 4.001,984 277.607,985 0.211,986 19,987 143.207,993 21.14,994 8.563,995 4.654,996 0.904,997 65.583,998 10.127,999 9.933,1003 6.445,1005 18.011,1006 571.651,1007 41,1020 62.207,1021 71.514,1022 0.235,1023 0.571,1024 0.795,1025 0.852,1026 0.863,1027 0.863,1028 5.011,1029 1.478,1030 5.979,1031 4.827,1032 4.575,1033 5.053,1034 1.324,1035 6.845,1036 4.498,1037 6.24,1038 1.35,1039 7.573,1040 3.758,1041 4.369,1042 5.027,1043 0.325,1044 7.997,1045 4.27,1046 7.577,1047 1.172,1048 9.272,1049 3.217,1050 6.263,1051 7.309,1052 0.958,1053 11.026,1054 6.127,1055 8.949,1056 1.054,1057 11.032,1058 3.074,1059 6.836,1060 8.089,1061 0.268,1062 12.95,1063 6.683,1064 10.352,1065 0.948,1066 12.832,1067 2.581,1068 8.26,1069 9.903,1070 0.736,1071 15.557,1072 8.076,1073 11.778,1074 0.427,1075 14.657,1076 2.451,1077 9.167,1078 11.06,1079 0.188,1080 17.773,1081 8.964,1082 13.221,1083 0.302,1084 16.5,1085 0.788,1086 10.421,1087 12.692,1088 0.57,1089 20.249,1090 10.191,1091 3.287,1092 -0.174,1093 18.356,1094 0.621,1095 11.475,1096 14.038,1097 0.125,1098 22.581,1099 11.222,1100 3.19,1101 11.47,1102 20.223,1103 -0.496,1104 12.668,1105 15.598,1106 0.439,1107 25.016,1108 12.388,1109 2.875,1110 10.988,1111 22.097,1112 4.641,1113 13.785,1114 17.037,1115 0.082,1116 27.397,1117 13.48,1118 2.526,1119 9.415,1120 23.977,1121 3.845,1122 14.959,1123 18.572,1124 0.334,1125 29.819,1126 14.626,1127 2.228,1128 8.123,1129 25.863,1130 3.448,1131 16.105,1132 20.057,1133 0.054,1134 32.221,1135 15.745,1136 2.099,1137 6.808,1138 27.753,1139 3.208,1140 17.274,1141 21.584,1142 0.252,1143 34.641,1144 16.885,1145 2.008,1146 6.464,1147 29.646,1148 2.875,1149 18.434,1150 23.093,1151 0.035,1152 37.054,1153 18.016,1154 10529,1155 15025,1156 21.671,1157 40.143,1158 50.325,1159 50.554,1160 51.438,1161 49.836,1162 49.888,1163 62.357,1164 4.12,1165 149.17,1166 47.868,1167 5.641,1168 5.396,1169 6.542,1170 5.323,1171 5.287,1172 7.641,1173 1.72,1174 19.021,1175 5.19,1176 16.286,1177 1.525,1178 1.532,1179 1.559,1180 1.51,1181 1.512,1182 1.89,1183 0.125,1184 4.52,1185 1.451,1186 4.158,1187 4.208,1188 4.133,1189 4.007,1190 5.117,1191 4.03,1192 3.887,1193 3.915,1194 3.827,1195 3.811,1196 4.839,1197 3.811,1198 3.812,1199 3.877,1200 3.686,1201 3.673,1202 4.464,1203 3.666,1204 3.684,1205 3.742,1206 3.576,1207 3.541,1208 4.408,1209 3.545,1210 3.464,1211 3.563,1212 3.289,1213 3.221,1214 4.297,1215 3.223,1216 3.269,1217 3.333,1218 3.123,1219 3.086,1220 4.193,1221 3.084,1222 3.204,1223 3.284,1224 3.036,1225 2.964,1226 4.008,1227 2.969,1228 3.087,1229 3.167,1230 2.942,1231 2.914,1232 3.898,1233 2.905,1234 0.142,1235 0.103,1236 0.208,1237 0.129,1238 0.1,1239 4.693,1240 0.141,1241 3.396,1242 0.026,1243 6.86,1244 0.348,1245 4.248,1246 0.097,1247 3.287,1248 4.641,1249 0.86,1250 11.47,1251 3.19,1252 1.968,1253 1.925,1254 2.095,1255 2.131,1256 1.415,1257 2.116,1258 1.902,1259 1.881,1260 2.015,1261 1.991,1262 1.322,1263 1.995,1264 1.795,1265 1.736,1266 2,1267 1.969,1268 1.1,1269 1.987,1270 1.542,1271 1.48,1272 1.762,1273 1.766,1274 0.896,1275 1.768,1276 1.435,1277 1.345,1278 1.689,1279 1.693,1280 0.836,1281 1.711,1282 1.349,1283 1.295,1284 1.579,1285 1.563,1286 0.748,1287 1.563,1288 1.183,1289 1.108,1290 1.494,1291 1.457,1292 0.593,1293 1.475,1294 1.104,1295 1.022,1296 1.417,1297 1.332,1298 0.549,1299 1.358,1300 4.205,1302 5.557,1303 2.398,1304 7.096,1305 4.727,1306 8.725,1307 6.862,1308 10.405,1310 10.547,1315 6.415,1317 3.758,1318 5.397,1321 2.244,1322 0.142,1326 37.197,1327 88.455,1328 214.967,1329 299.185,1330 320.794,1331 324.794,1332 324.794,1333 45.263,1334 8.017,1335 54.69,1336 54.69,1337 23,1338 12.791,1339 4.087,1340 3.17,1341 46.727,1342 112,1343 124,1344 0.202,1345 228.889,1346 386.93,1347 550.249,1348 33227,1350 21.303,1351 0.71,1352 0.628,1353 21.303,1354 18.826,1355 14.359,1356 0.435,1357 0.328,1358 10.655,1359 13.819,1360 10.166,1361 8.582,1362 14.359,1363 10.808,1364 13.765,1365 0.287,1366 0.195,1367 13.765,1368 9.38,1369 10.642,1370 0.172,1371 0.092,1372 10.642,1373 5.721,1374 9.506,1375 0.111,1376 0.052,1377 9.506,1378 4.489,1379 7.449,1380 0.067,1381 0.025,1382 7.449,1383 2.812,1384 0.31,1385 89.861,1386 0.215,1387 27.91,1388 0.575,1389 162,1390 382.649,1391 174.981,1392 375.111,1393 529.63,1394 354,1395 191,1396 407.331,1397 206.647,1398 419.449,1399 612.91,1400 389,1401 6.111}
{0 CHEMBL1522198,1 1.366,2 8.111,3 2.808,4 7.887,5 73.067,6 6.343,7 0.263,8 3.719,9 3.847,10 3.147,11 3.228,12 4.694,13 3.176,14 4.302,15 4.507,16 3.49,17 3.609,18 5.217,19 3.532,20 4.568,21 4.797,22 3.409,23 3.734,24 5.435,25 3.599,26 4.675,27 4.975,28 3.266,29 3.677,30 5.483,31 3.507,32 4.378,33 4.62,34 3.207,35 3.497,36 5.433,37 3.347,38 4.37,39 4.657,40 2.996,41 3.314,42 5.346,43 3.167,44 4.003,45 4.239,46 2.877,47 3.151,48 4.873,49 3.032,50 4.005,51 4.244,52 2.821,53 3.138,54 4.873,55 3.011,56 0.028,57 0.525,58 9.337,59 3.923,60 5.893,61 5.449,62 0.158,63 0.849,64 17.094,65 6.268,66 17.967,67 9.058,68 0.221,69 1.023,70 22.401,71 7.906,72 24.65,73 11.442,74 0.298,75 1.038,76 24.837,77 8.115,78 38.719,79 12.197,80 0.285,81 0.801,82 18.466,83 6.795,84 38.428,85 9.693,86 0.254,87 0.715,88 18.539,89 5.875,90 43.94,91 8.552,92 0.143,93 0.547,94 12.685,95 4.48,96 18.793,97 6.329,98 0.155,99 0.546,100 12.753,101 4.419,102 20.14,103 6.266,104 17,105 26,106 0.25,107 0.556,108 0.767,109 0.786,110 0.786,111 0.786,112 2.959,113 1.039,114 -3.35,115 -3.33,116 -3.19,120 38.5,121 3,122 1,123 2,126 2,136 2,143 2,153 2,159 1,174 6,176 1,177 8,185 5,189 6,197 5,201 2,209 5,213 2,214 5,222 6,227 2,235 3,240 4,247 2,252 3,260 5,271 5,274 370,275 11.671,276 11.671,277 11.671,278 11.671,279 11.671,280 10.789,281 10.561,282 6.893,283 11.74,284 9.377,285 9.377,286 9.377,287 9.377,288 9.377,289 7.966,290 9.669,291 3.319,292 9.483,293 3.919,294 2.243,295 1.084,296 0.981,297 0.981,298 0.981,299 3.608,305 1,306 1,307 1,308 302,309 2.739,312 54.409,313 63.576,320 1.235,321 14.761,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 38.5,333 146,334 4.137,335 3.623,336 6.096,337 3.868,338 2.901,339 3.751,340 1.2,341 8.897,342 2.806,343 3.997,344 2.771,345 5.549,346 3.689,347 2.691,348 3.207,349 0.293,350 7.57,351 2.684,352 3.503,353 2.68,354 5.232,355 3.34,356 2.333,357 2.58,359 6.506,360 2.343,361 3.193,362 2.015,363 4.649,364 2.874,365 1.879,366 2.343,368 5.031,369 1.869,370 2.879,371 1.903,372 4.618,373 2.857,374 1.861,375 1.879,377 4.963,378 1.853,379 2.566,380 1.866,381 4.065,382 2.26,383 1.276,384 1.503,386 3.434,387 1.246,388 2.234,389 0.936,390 3.276,391 1.753,392 0.75,393 1.087,395 1.762,396 0.751,397 2.076,398 0.664,399 2.981,400 1.395,401 0.366,402 0.586,404 0.858,405 0.374,406 0.653,407 -0.152,408 2.388,409 0.611,410 -0.347,411 -0.347,413 -0.891,414 -0.331,415 0.589,416 -0.173,417 2.382,418 0.529,419 -0.472,420 -0.477,422 -1.183,423 -0.471,424 0.536,425 -0.394,426 1.934,427 0.323,428 -0.693,429 -0.811,431 -1.651,432 -0.7,433 0.33,434 -0.569,435 1.602,436 0.047,437 -1,438 -1.059,440 -2.488,441 -0.987,442 0.121,443 -0.915,444 1.456,445 -0.011,446 -1,447 -1.28,449 -2.772,450 -1.046,451 -0.123,452 -1.356,453 1.189,454 -0.492,455 -1.508,456 -1.532,458 -3.889,459 -1.5,460 -0.334,461 -1.452,462 1.157,463 -0.55,464 -1.532,465 -1.942,467 -4.072,468 -1.538,469 8.567,470 0.476,471 0.544,472 0.03,473 18,474 1,475 7,476 0.389,477 11,478 0.611,479 16.39,480 0.911,481 20.833,482 0.534,483 10.838,484 0.602,485 3.295,486 0.183,487 5.246,488 0.291,489 0.214,491 0.339,496 0.727,497 1.465,498 0.933,499 1.301,500 0.594,501 1.165,502 0.794,503 1.147,504 0.889,505 1.07,506 0.482,507 0.993,508 1.211,509 1.231,510 1.191,511 1.179,512 0.905,513 1.181,514 1.074,515 0.745,516 0.928,517 0.761,518 1.309,519 0.805,520 0.714,521 1.179,522 1.005,523 1.214,524 1.266,525 1.162,526 1.526,527 0.797,528 0.938,529 0.758,530 2.349,531 0.776,532 1.391,533 0.985,534 1.064,535 0.983,536 0.973,537 0.986,538 1.47,539 0.925,540 1.153,541 0.981,542 1.234,543 1.017,544 5,545 0.012,546 1.778,547 1.382,548 0.938,549 0.431,550 0.198,551 0.21,552 0.115,553 0.119,554 2792,555 5813,556 1.963,557 53.8,558 8,559 8,563 3,564 2,567 1.583,568 1.8,569 3.031,570 -0.818,572 1,574 1,575 53.289,576 1.366,577 3.042,578 4.202,579 4.304,580 4.304,581 4.304,582 2.461,583 3.572,584 4.145,585 3.176,586 485.97,587 7.014,588 4706.33,589 1,590 1,592 1,593 206.131,594 1.53,595 4.076,596 0.263,597 0.004,598 0.068,599 0.063,600 0.049,601 0.025,602 0.014,603 0.016,604 0.01,605 0.015,606 0.528,607 1,608 1,609 0.714,610 77.301,611 0.022,612 -0.2,613 0.057,614 -0.098,615 -0.024,616 -0.03,617 0.108,618 -0.006,619 0.107,620 -0.015,621 0.147,622 0.039,623 -0.135,624 -0.19,625 -0.195,626 -0.174,627 -0.044,628 -0.192,629 -0.089,630 0.195,631 0.047,632 0.139,633 -0.082,634 0.12,635 0.284,636 -0.199,637 -0.03,638 -0.209,639 0.16,640 -0.169,641 -0.122,642 0.076,643 0.08,644 0.134,645 -0.212,646 0.132,647 -0.134,649 -0.053,650 0.008,651 -0.096,652 -0.01,653 -0.182,654 0.068,655 -0.137,656 -0.005,657 -0.145,658 -0.053,659 1.581,660 5.067,661 0.611,662 11.506,663 0.99,664 1.13,665 2.116,666 4.479,667 0.629,668 2.996,669 3.296,670 3.434,671 3.638,672 3.664,673 3.526,674 3.466,675 3.434,676 3.367,677 3.434,678 5.053,679 0.583,680 247.37,681 2.996,682 4.511,683 5.313,684 6.168,685 6.986,686 7.838,687 8.662,688 9.512,689 10.34,690 11.188,691 2.6,698 1,709 2,712 1,714 2,716 5,738 39,739 7,741 19,743 40,744 15,745 4,748 3,752 2,753 2,759 3,763 1,764 2,766 1,768 7,769 8,770 2,772 2,778 1,780 2,782 1,786 1,788 1,789 21,790 3,792 3,797 1,803 1,804 2,822 1,823 1,839 1,845 2,855 2,859 3,862 18,869 3,874 2,875 1,886 5.1,889 1,891 1,893 10,894 7.783,895 3.944,896 2.514,898 1.362,899 1.23,900 0.916,901 4.152,902 7.294,903 3.199,904 3.67,905 4.075,906 4.478,907 4.621,908 4.718,909 4.913,910 5.147,911 4.99,912 5.13,913 1,914 22,915 6.687,917 2.735,918 7.648,919 13.075,921 10.615,924 2.148,925 38.667,926 0.002,929 247.193,930 86.729,931 3.124,933 34.652,936 86.729,937 281.845,938 3.124,939 26.476,940 9.87,941 37.905,942 29.85,943 9.507,944 10.898,945 247.193,947 247.193,948 89.853,949 34.652,952 223.651,953 58.194,956 36.346,957 34.555,958 18.952,960 247.193,961 37.777,962 86.729,965 247.193,966 22.348,967 67.505,969 34.652,970 247.193,971 37.777,972 86.729,973 0.584,974 0.317,975 0.166,976 0.083,977 12,978 6,979 0.05,980 2,982 1,983 3.056,984 119.142,986 11,987 69.059,993 13.255,994 5.639,995 3.653,997 37.777,998 3.774,1001 5.406,1003 1.598,1006 371.699,1007 23.5,1013 12.067,1015 3.363,1017 0.086,1020 38.592,1021 44.069,1022 0.259,1023 0.576,1024 0.795,1025 0.814,1026 0.814,1027 0.814,1028 4.434,1029 0.366,1030 5.303,1031 1.762,1032 3.97,1033 4.35,1034 1.356,1035 6.038,1036 3.948,1037 5.602,1038 -0.347,1039 6.821,1040 0.858,1041 3.611,1042 4.06,1043 0.325,1044 6.742,1045 3.579,1046 6.868,1047 -0.472,1048 8.426,1049 -0.891,1050 5.501,1051 6.326,1052 1.511,1053 9.758,1054 5.445,1055 8.159,1056 -0.693,1057 10.078,1058 -1.183,1059 5.861,1060 6.825,1061 0.653,1062 11.213,1063 5.79,1064 9.478,1065 -1,1066 11.758,1067 -1.651,1068 7.272,1069 8.578,1070 1.739,1071 13.745,1072 7.174,1073 10.814,1074 -1,1075 13.458,1076 -2.488,1077 7.972,1078 9.466,1079 1.001,1080 15.556,1081 7.853,1082 12.166,1083 -1.508,1084 15.174,1085 -2.772,1086 9.178,1087 10.988,1088 1.993,1089 17.887,1090 9.033,1091 2.901,1092 -1.532,1093 16.902,1094 -3.889,1095 10.05,1096 12.078,1097 1.37,1098 19.878,1099 9.878,1100 2.691,1101 8.897,1102 18.64,1103 -4.072,1104 11.164,1105 13.491,1106 2.264,1107 22.119,1108 10.965,1109 2.333,1110 7.57,1111 20.387,1112 3.751,1113 12.122,1114 14.687,1115 1.754,1116 24.201,1117 11.894,1118 1.879,1119 6.506,1120 22.14,1121 3.207,1122 13.196,1123 16.047,1124 2.551,1125 26.404,1126 12.94,1127 1.861,1128 5.031,1129 23.901,1130 2.58,1131 14.197,1132 17.299,1133 2.143,1134 28.533,1135 13.91,1136 1.276,1137 4.963,1138 25.666,1139 2.343,1140 15.255,1141 18.635,1142 2.851,1143 30.72,1144 14.938,1145 0.75,1146 3.434,1147 27.437,1148 1.879,1149 16.279,1150 19.917,1151 2.535,1152 32.874,1153 15.93,1154 2843,1155 4215,1156 12.137,1157 24.529,1158 29.381,1159 29.314,1160 29.144,1161 28.157,1162 28.115,1163 33.873,1164 2.986,1165 78.042,1166 27.851,1167 5.137,1168 5.567,1169 5.462,1170 4.903,1171 4.901,1172 6.452,1173 2.293,1174 15.004,1175 4.769,1176 10.062,1177 1.546,1178 1.543,1179 1.534,1180 1.482,1181 1.48,1182 1.783,1183 0.157,1184 4.107,1185 1.466,1186 3.969,1187 3.999,1188 3.909,1189 3.827,1190 7.428,1191 3.841,1192 3.877,1193 3.911,1194 3.776,1195 3.741,1196 5.063,1197 3.741,1198 3.51,1199 3.544,1200 3.423,1201 3.362,1202 4.36,1203 3.371,1204 3.367,1205 3.452,1206 3.151,1207 3.217,1208 4.124,1209 3.19,1210 3.13,1211 3.218,1212 2.954,1213 2.927,1214 3.903,1215 2.923,1216 2.955,1217 3.056,1218 2.705,1219 2.75,1220 3.692,1221 2.725,1222 2.743,1223 2.867,1224 2.457,1225 2.494,1226 3.626,1227 2.455,1228 2.679,1229 2.81,1230 2.356,1231 2.433,1232 3.583,1233 2.387,1234 0.218,1235 0.191,1236 0.321,1237 0.204,1238 0.153,1239 4.137,1240 0.197,1241 3.623,1242 0.063,1243 6.096,1244 0.468,1245 3.868,1246 0.148,1247 2.901,1248 3.751,1249 1.2,1250 8.897,1251 2.806,1252 1.884,1253 1.83,1254 2.086,1255 2.051,1256 1.45,1257 2.064,1258 1.646,1259 1.62,1260 1.791,1261 1.789,1262 0.97,1263 1.779,1264 1.545,1265 1.509,1266 1.751,1267 1.719,1268 0.871,1269 1.737,1270 1.405,1271 1.325,1272 1.733,1273 1.606,1274 0.796,1275 1.655,1276 1.24,1277 1.202,1278 1.479,1279 1.49,1280 0.635,1281 1.482,1282 0.989,1283 0.894,1284 1.349,1285 1.234,1286 0.422,1287 1.277,1288 0.791,1289 0.673,1290 1.233,1291 1.088,1292 0.398,1293 1.145,1294 0.737,1295 0.611,1296 1.209,1297 1.034,1298 0.39,1299 1.102,1300 3.664,1302 4.963,1303 2.398,1304 6.422,1305 4.595,1306 7.957,1307 6.529,1308 9.535,1310 6.304,1315 2.945,1320 1.189,1321 1.936,1326 22.719,1327 53.289,1328 118.644,1329 163.866,1330 167.866,1331 167.866,1332 167.866,1333 30.171,1334 5.932,1335 33.45,1336 33.45,1337 11,1338 11.752,1339 3,1340 2.459,1341 31.148,1342 54,1343 50,1344 0.284,1345 142.946,1346 250.46,1347 340.548,1348 2364,1350 13.121,1351 0.729,1352 0.631,1353 13.121,1354 11.349,1355 8.542,1356 0.45,1357 0.346,1358 6.507,1359 8.246,1360 6.211,1361 5.255,1362 8.542,1363 6.577,1364 8.016,1365 0.308,1366 0.21,1367 8.016,1368 5.471,1369 5.853,1370 0.195,1371 0.111,1372 5.853,1373 3.332,1374 4.795,1375 0.13,1376 0.071,1377 4.795,1378 2.645,1379 3.297,1380 0.087,1381 0.038,1382 3.297,1383 1.462,1384 0.444,1385 53.219,1386 0.287,1387 18.286,1388 0.777,1389 90,1390 241.116,1391 98.836,1392 229.312,1393 309.08,1394 214,1395 101,1396 225.726,1397 109.645,1398 226.956,1399 325.96,1400 212,1401 4.61}
{0 CHEMBL1522618,1 1.772,2 11.769,3 2.525,4 6.373,5 85.914,6 9.731,7 0.724,8 3.771,9 3.842,10 3.549,11 3.291,12 5.129,13 3.351,14 4.219,15 4.298,16 3.928,17 3.638,18 5.729,19 3.699,20 4.382,21 4.51,22 3.897,23 3.627,24 5.842,25 3.673,26 4.335,27 4.483,28 3.744,29 3.533,30 5.727,31 3.585,32 4.186,33 4.333,34 3.569,35 3.438,36 5.526,37 3.458,38 4.095,39 4.212,40 3.593,41 3.411,42 5.742,43 3.428,44 4.084,45 4.251,46 3.346,47 3.352,48 5.273,49 3.323,50 3.975,51 4.167,52 3.301,53 3.131,54 5.344,55 3.126,56 0.256,57 0.551,58 3.38,59 2.732,60 14.151,61 2.327,62 0.496,63 0.829,64 5.951,65 4.438,66 51.2,67 3.908,68 0.808,69 0.922,70 11.248,71 5.288,72 61.228,73 5.032,74 0.673,75 0.867,76 11.883,77 4.998,78 62.235,79 4.209,80 0.605,81 0.737,82 10.587,83 4.668,84 66.59,85 4.245,86 0.61,87 0.688,88 7.606,89 4.091,90 81.856,91 3.769,92 0.459,93 0.681,94 9.109,95 4.483,96 43.411,97 4.592,98 0.463,99 0.597,100 9.973,101 4.088,102 40.208,103 5.036,104 11,105 41,106 0.31,107 0.62,108 0.759,109 0.856,110 0.856,111 0.856,112 3.304,113 0.773,114 -3.95,115 -3.9,116 -3.7,120 47.2,143 8,144 1,145 1,146 1,150 1,153 2,154 1,159 1,162 1,167 2,174 6,176 4,177 7,180 1,182 2,185 4,188 4,189 11,192 1,194 3,197 2,201 11,206 2,209 1,213 1,214 6,217 1,222 5,226 2,227 5,230 4,235 8,240 3,247 5,251 2,252 6,255 1,257 1,260 1,263 2,264 7,269 1,274 964,275 17.602,276 17.602,277 17.602,278 17.602,279 17.602,280 14.814,281 12.473,282 10.28,283 17.807,284 14.321,285 14.321,286 14.321,287 14.321,288 14.321,289 10.098,290 15.835,291 4.9,292 14.64,293 3.398,294 1.626,295 0.833,296 0.278,297 0.278,298 0.278,299 4,305 1,306 1,307 1,308 674,309 3.24,312 139.682,313 165.524,316 117.803,320 1.959,321 36.479,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 59,333 306,334 4.509,335 3.787,336 6.372,337 4.034,338 3.062,339 4.437,340 2.612,341 9.884,342 2.978,343 4.362,344 3.565,345 6.177,346 3.941,347 2.95,348 4.061,349 1.058,350 9.127,351 2.921,352 4.091,353 3.06,354 5.909,355 3.648,356 2.671,357 3.712,359 8.261,360 2.61,361 3.934,362 2.666,363 5.782,364 3.491,365 2.508,366 3.385,368 7.749,369 2.457,370 3.624,371 2.381,372 5.285,373 3.202,374 2.222,375 3.027,377 6.67,378 2.173,379 3.143,380 2.283,381 4.414,382 2.557,383 1.573,384 2.356,386 4.312,387 1.544,388 3.032,389 1.547,390 4.329,391 2.482,392 1.532,393 2.298,395 4.05,396 1.454,397 2.999,398 1.532,399 4.13,400 2.451,401 1.453,402 2.209,404 3.547,405 1.439,406 2.65,407 1.427,408 3.593,409 2.144,410 1.165,411 1.716,413 2.831,414 1.138,415 2.5,416 1.203,417 3.511,418 2,419 1,420 1.5,422 2.275,423 1,424 2.413,425 1,426 3.414,427 1.827,428 0.82,429 1.254,431 2.129,432 0.822,433 2.156,434 1,435 3.253,436 1.649,437 0.649,438 0.974,440 1.592,441 0.649,442 1.847,443 0.707,444 3,445 1.297,446 0.347,447 0.521,449 0.86,450 0.329,451 1.303,452 0.495,453 2.731,454 0.915,455 -0.081,456 -0.106,458 -0.201,459 -0.08,460 1,461 0.347,462 2.4,463 0.288,464 -0.703,465 -0.952,467 -1.795,468 -0.69,469 11.767,470 0.453,471 0.661,472 0.025,473 41,474 1.577,475 23,476 0.885,477 18,478 0.692,479 14.103,480 0.542,481 26.633,482 0.74,483 29.738,484 1.144,485 8.364,486 0.322,487 4.233,488 0.163,489 0.085,491 0.374,496 0.643,497 1.144,498 0.551,499 0.945,500 0.551,501 0.78,502 0.661,503 1.15,504 0.681,505 1.124,506 0.479,507 0.986,508 0.798,509 1.11,510 0.93,511 1.017,512 0.627,513 1.024,514 1.289,515 1.014,516 1.164,517 0.974,518 1.115,519 0.98,520 1.138,521 0.809,522 1.152,523 0.885,524 1.173,525 0.985,526 0.701,527 0.814,528 1.059,529 0.961,530 0.652,531 1.112,532 0.871,533 1.108,534 1.228,535 1.195,536 0.76,537 1.32,538 0.549,539 1.023,540 0.823,541 1.147,542 0.594,543 1.123,544 5.5,545 0.151,546 3.111,547 1.417,548 1.589,549 0.712,550 0.245,551 0.378,552 0.211,553 0.13,554 9197,555 34310,556 2.124,557 27.8,559 8,561 1,562 1,567 1.683,568 2,569 3.535,570 -0.218,571 1,572 1,574 1,575 63.802,576 1.772,577 3.544,578 4.337,579 4.892,580 4.892,581 4.892,582 2.969,583 4.056,584 4.672,585 3.715,586 1207.48,587 8.056,588 15612.1,589 1,590 1,592 1,593 186.117,594 1.37,595 4.637,596 0.19,597 0.009,598 0.076,599 0.037,600 0.048,601 0.025,602 0.009,603 0.017,604 0.011,605 0.007,606 0.429,607 0.33,608 1,609 0.721,610 129.609,611 0.041,612 -0.064,613 0.045,614 -0.024,615 -0.052,616 -0.003,617 0.149,618 -0.114,619 0.015,620 -0.189,621 0.153,622 -0.17,623 0.148,624 -0.127,625 0.023,626 -0.053,627 0.114,628 -0.063,629 -0.313,630 -0.038,631 -0.149,632 -0.008,633 -0.165,634 0.013,635 -0.192,636 0.134,637 -0.13,638 0.119,639 -0.189,640 0.052,641 0.215,642 0.169,643 -0.167,644 0.014,645 0.304,646 -0.172,647 -0.112,648 -0.182,649 -0.19,650 -0.169,651 -0.113,652 -0.203,653 0.261,654 -0.113,655 0.369,656 -0.11,657 0.222,658 0.082,659 2.708,660 5.056,661 0.769,662 25.083,663 1.047,664 1.119,665 2.72,666 7.397,667 0.711,668 3.401,669 3.738,670 4.007,671 4.248,672 4.431,673 4.511,674 4.554,675 4.7,676 4.745,677 4.812,678 7.035,679 0.729,680 350.31,681 3.401,682 4.949,683 5.802,684 6.678,685 7.548,686 8.426,687 9.301,688 10.18,689 11.057,690 11.937,691 11.1,698 1,701 2,702 1,708 2,709 9,710 2,712 2,714 5,716 21,723 1,731 1,738 36,739 24,740 1,741 29,743 39,744 17,745 16,746 2,747 4,748 1,752 4,753 5,768 17,772 3,775 1,778 3,782 1,785 1,786 1,788 1,789 10,790 8,791 1,792 9,797 4,803 0.75,804 5,808 1,816 1,822 2,823 2,826 1,855 3,862 26,871 1,886 13.9,889 1,891 2,892 2,893 13,894 6.683,895 5.611,896 1.993,898 4.095,899 1.545,900 1.012,901 4.049,902 11.61,903 3.773,904 4.431,905 5.037,906 5.637,907 6.125,908 6.492,909 6.831,910 7.29,911 7.577,912 7.951,913 0.875,914 38,915 9.543,917 4.197,918 8.186,919 17.258,921 13.895,924 2.686,925 69.833,929 105.94,930 117.545,931 57.252,933 94.907,936 117.545,937 200.846,938 57.252,939 5.67,940 18.011,941 75.81,942 80.212,943 40.74,944 10.285,945 94.169,946 50.747,947 105.94,948 174.797,949 94.907,952 107.655,953 44.16,954 50.747,956 37.098,957 96.742,958 39.241,960 105.94,961 152.158,962 117.545,965 105.94,966 32.687,967 90.527,968 18.011,969 128.478,970 105.94,971 152.158,972 117.545,973 0.588,974 0.342,975 0.177,976 0.095,977 21,978 9,979 0.103,980 4,981 1,982 1.1,983 3.936,984 215.916,985 0.1,986 20,987 116.211,993 16.148,994 6.52,995 3.271,996 1.096,997 146.488,998 14.305,999 8.408,1001 10.492,1003 0.987,1005 18.011,1006 375.643,1007 42.5,1010 -0.708,1013 33.242,1017 -0.586,1020 37.695,1021 40.286,1022 0.343,1023 0.686,1024 0.839,1025 0.946,1026 0.946,1027 0.946,1028 4.992,1029 1.453,1030 5.79,1031 4.05,1032 4.419,1033 5.118,1034 2.67,1035 6.589,1036 4.378,1037 6.226,1038 1.165,1039 7.344,1040 3.547,1041 4.007,1042 4.977,1043 2.361,1044 7.438,1045 3.95,1046 7.546,1047 1,1048 8.994,1049 2.831,1050 6.009,1051 7.388,1052 4.193,1053 10.503,1054 5.925,1055 8.902,1056 0.82,1057 10.697,1058 2.275,1059 6.415,1060 8.086,1061 4.506,1062 12.156,1063 6.315,1064 10.287,1065 0.649,1066 12.435,1067 2.129,1068 7.876,1069 9.94,1070 5.955,1071 14.708,1072 7.752,1073 11.693,1074 0.347,1075 14.195,1076 1.592,1077 8.643,1078 11.023,1079 6.556,1080 16.688,1081 8.501,1082 13.115,1083 -0.081,1084 15.97,1085 0.86,1086 9.887,1087 12.652,1088 7.796,1089 19.055,1090 9.723,1091 3.062,1092 -0.703,1093 17.756,1094 -0.201,1095 10.823,1096 13.925,1097 8.548,1098 21.182,1099 10.64,1100 2.95,1101 9.884,1102 19.55,1103 -1.795,1104 11.976,1105 15.456,1106 9.67,1107 23.48,1108 11.771,1109 2.671,1110 9.127,1111 21.351,1112 4.437,1113 12.993,1114 16.824,1115 10.509,1116 25.676,1117 12.768,1118 2.508,1119 8.261,1120 23.155,1121 4.061,1122 14.109,1123 18.314,1124 11.563,1125 27.949,1126 13.862,1127 2.222,1128 7.749,1129 24.964,1130 3.712,1131 15.166,1132 19.731,1133 12.452,1134 30.18,1135 14.897,1136 1.573,1137 6.67,1138 26.776,1139 3.385,1140 16.268,1141 21.206,1142 13.468,1143 32.446,1144 15.977,1145 1.532,1146 4.312,1147 28.591,1148 3.027,1149 17.345,1150 22.649,1151 14.386,1152 34.696,1153 17.033,1154 8621,1155 16840,1156 19.592,1157 25.58,1158 44.419,1159 46.139,1160 44.819,1161 43.892,1162 43.903,1163 62.903,1164 7.342,1165 126.572,1166 43.027,1167 5.344,1168 5.787,1169 6.055,1170 5.076,1171 5.062,1172 7.437,1173 4.612,1174 16.491,1175 4.978,1176 11.637,1177 1.532,1178 1.591,1179 1.545,1180 1.514,1181 1.514,1182 2.169,1183 0.253,1184 4.365,1185 1.484,1186 4.09,1187 4.109,1188 4.067,1189 3.944,1190 7.815,1191 3.968,1192 3.997,1193 4.004,1194 3.978,1195 3.789,1196 7.429,1197 3.823,1198 3.844,1199 3.875,1200 3.792,1201 3.734,1202 6.999,1203 3.749,1204 3.502,1205 3.516,1206 3.487,1207 3.175,1208 5.263,1209 3.223,1210 3.312,1211 3.345,1212 3.251,1213 3.033,1214 4.975,1215 3.106,1216 3.111,1217 3.147,1218 3.048,1219 2.781,1220 4.724,1221 2.853,1222 2.854,1223 2.925,1224 2.706,1225 2.735,1226 4.479,1227 2.715,1228 2.783,1229 2.853,1230 2.687,1231 2.563,1232 4.027,1233 2.583,1234 0.155,1235 0.131,1236 0.22,1237 0.139,1238 0.106,1239 4.509,1240 0.153,1241 3.787,1242 0.09,1243 6.372,1244 0.341,1245 4.034,1246 0.103,1247 3.062,1248 4.437,1249 2.612,1250 9.884,1251 2.978,1252 1.907,1253 1.883,1254 2.003,1255 2.01,1256 1.097,1257 2.006,1258 1.824,1259 1.794,1260 1.913,1261 1.97,1262 0.938,1263 1.953,1264 1.569,1265 1.541,1266 1.679,1267 1.955,1268 0.731,1269 1.826,1270 1.48,1271 1.482,1272 1.51,1273 1.715,1274 0.421,1275 1.677,1276 1.198,1277 1.175,1278 1.266,1279 1.456,1280 0.256,1281 1.402,1282 0.909,1283 0.868,1284 1.181,1285 1.264,1286 0.218,1287 1.211,1288 0.893,1289 0.863,1290 1.066,1291 1.093,1292 0.137,1293 1.107,1294 0.886,1295 0.821,1296 1.042,1297 1.062,1299 1.084,1300 4.078,1302 5.407,1303 3.045,1304 6.915,1305 5.352,1306 8.498,1307 7.424,1308 10.119,1317 2.597,1326 26.24,1327 63.802,1328 127.588,1329 156.117,1330 176.117,1331 176.117,1332 176.117,1333 43.491,1334 7.515,1335 126.98,1336 126.98,1337 22,1338 12.474,1339 4.644,1340 3.858,1341 38.394,1342 112,1343 94,1344 0.169,1345 159.224,1346 268.53,1347 380.266,1348 19642,1350 18.096,1351 0.696,1352 0.503,1353 18.096,1354 13.079,1355 12.597,1356 0.434,1357 0.258,1358 7.315,1359 11.866,1360 7.251,1361 5.981,1362 12.597,1363 7.476,1364 11.607,1365 0.283,1366 0.129,1367 11.607,1368 5.271,1369 9.802,1370 0.182,1371 0.066,1372 9.802,1373 3.55,1374 7.953,1375 0.115,1376 0.034,1377 7.953,1378 2.329,1379 6.184,1380 0.075,1381 0.018,1382 6.184,1383 1.459,1384 0.272,1385 80.964,1386 0.226,1387 25.584,1388 0.442,1389 140,1390 551.946,1391 162.911,1392 518.6,1393 697.81,1394 480,1395 165,1396 525.082,1397 188.773,1398 515.35,1399 753.79,1400 484,1401 5.148}
{0 CHEMBL1522758,1 1.252,2 9.4,3 4.123,4 16.998,5 80.15,6 7.343,7 0.571,8 3.63,9 3.731,10 3.178,11 3.296,12 4.806,13 3.244,14 4.098,15 4.24,16 3.462,17 3.629,18 5.221,19 3.554,20 4.372,21 4.562,22 3.521,23 3.707,24 5.578,25 3.617,26 4.384,27 4.579,28 3.369,29 3.587,30 5.636,31 3.495,32 4.262,33 4.465,34 3.262,35 3.504,36 5.486,37 3.4,38 4.23,39 4.462,40 3.122,41 3.444,42 5.442,43 3.304,44 4.089,45 4.34,46 3.031,47 3.322,48 5.153,49 3.187,50 3.945,51 4.172,52 2.965,53 3.152,54 5.168,55 3.06,56 0.012,57 0.399,58 6.708,59 3.454,60 6.55,61 4.438,62 0.031,63 0.648,64 11.575,65 5.612,66 10.984,67 7.304,68 0.098,69 0.853,70 16.864,71 7.355,72 37.264,73 9.529,74 0.229,75 0.843,76 18.201,77 7.127,78 62.561,79 8.68,80 0.158,81 0.756,82 15.84,83 6.468,84 49.749,85 8.181,86 0.239,87 0.745,88 15.72,89 6.455,90 62.921,91 8.58,92 0.067,93 0.658,94 13.47,95 5.774,96 23.081,97 7.924,98 0.121,99 0.551,100 11.883,101 4.725,102 34.111,103 6.064,104 10,105 27,106 0.227,107 0.482,108 0.6,109 0.717,110 0.785,111 0.815,112 3.056,113 0.934,114 -5.03,115 -4.93,116 -4.62,120 50,122 2,135 1,137 1,143 10,144 2,158 2,174 15,177 4,185 16,189 7,197 14,201 6,209 12,214 3,222 13,226 1,227 2,235 10,240 4,247 8,252 4,260 9,264 2,271 10,274 484,275 13.449,276 13.449,277 13.449,278 13.449,279 13.449,280 11.672,281 5.713,282 8.239,283 13.395,284 10.329,285 10.329,286 10.329,287 10.329,288 10.329,289 7.615,290 3.454,291 3.899,292 10.206,293 3.918,294 2.507,295 1.854,296 1.209,297 0.833,298 0.667,299 3.715,306 1,307 1,308 391,309 3.464,313 151.104,320 1.4,321 21.667,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 42,333 188,334 4.279,335 3.626,336 6.329,337 3.958,338 2.935,339 3.78,340 1.277,341 9.377,342 2.999,343 4.137,344 3.57,345 6.017,346 3.798,347 2.774,348 3.669,350 8.536,351 2.836,352 3.593,353 2.3,354 5.082,355 3.167,356 2.166,357 2.958,359 5.864,360 2.168,361 3.277,362 2.186,363 4.304,364 2.832,365 1.81,366 2.542,368 4.206,369 1.845,370 2.941,371 2.077,372 3.811,373 2.491,374 1.482,375 2.069,377 3.225,378 1.493,379 2.6,380 1.324,381 3.49,382 2.158,383 1.147,384 1.594,386 2.644,387 1.158,388 2.5,389 1.323,390 3.259,391 2,392 1,393 1.5,395 2.136,396 1,397 2.5,398 1,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.351,407 1,408 3.247,409 1.791,410 0.726,411 1.072,413 1.726,414 0.767,415 1.675,416 0.942,417 2.641,418 1.239,419 0.188,420 0.259,422 0.396,423 0.196,424 0.751,425 -0.154,426 2.104,427 0.281,428 -0.743,429 -1.017,431 -1.603,432 -0.754,433 0.75,434 -0.463,435 1.651,436 0.28,437 -0.751,438 -1.1,440 -1.609,441 -0.769,442 0.5,443 -0.662,444 1.555,445 0.046,446 -1,447 -1.393,449 -2.347,450 -1,451 0.5,452 -1,453 1.555,455 -1,456 -1.5,458 -2.347,459 -1,460 0.451,461 -1,462 1.389,464 -1,465 -1.5,467 -2.422,468 -1.045,469 9.667,470 0.483,471 0.404,472 0.02,473 27.5,474 1.375,475 16.5,476 0.825,477 11,478 0.55,479 12.021,480 0.601,481 20.333,482 0.565,483 19.092,484 0.955,485 5.702,486 0.285,487 3.979,488 0.199,489 0.121,491 0.259,496 0.477,497 0.946,498 0.786,499 0.945,500 0.557,501 0.909,502 0.581,503 1.102,504 0.91,505 1.099,506 0.624,507 1.052,508 0.978,509 1.108,510 0.965,511 1.095,512 0.955,513 1.039,514 1.89,515 0.998,516 1.224,517 0.99,518 1.866,519 1.022,520 1.442,521 1.028,522 1.119,523 1.023,524 1.407,525 1.031,526 0.873,527 0.957,528 1.029,529 0.97,530 0.899,531 1.011,532 0.56,533 0.988,534 0.807,535 0.983,536 0.574,537 0.933,538 1.397,539 0.84,540 0.91,541 0.826,542 1.363,543 0.813,544 3,545 0.016,546 2.444,547 1.25,548 0.622,549 0.444,550 0.324,551 0.234,552 0.128,553 0.04,554 3901,555 10488,556 1.995,557 44.4,558 2,559 12,563 2,567 1.614,568 1.875,569 3.248,570 -0.886,572 1,575 45.059,576 1.252,577 2.663,578 3.316,579 3.961,580 4.337,581 4.503,582 2.684,583 3.822,584 4.298,585 3.356,586 637.614,587 7.319,588 6748.42,590 1,591 1,592 1,593 186.117,594 1.353,595 4.255,596 0.143,597 0.002,598 0.091,599 0.046,600 0.028,601 0.022,602 0.019,603 0.015,604 0.009,605 0.003,606 0.378,607 0.67,608 1,609 0.627,610 90.138,612 0.027,613 0.018,614 0.027,615 -0.053,616 0.025,617 0.017,618 -0.134,619 -0.053,620 -0.129,621 -0.023,622 -0.104,623 0.002,624 -0.14,625 -0.013,626 -0.129,627 0.028,628 -0.082,629 -0.235,630 -0.025,631 -0.188,632 -0.037,633 -0.228,634 -0.096,635 -0.134,636 -0.057,637 -0.115,638 -0.061,639 -0.097,640 -0.082,641 0.155,642 0.015,643 -0.028,644 0.004,645 0.133,646 -0.028,647 0.103,648 -0.018,649 0.173,650 0.002,651 0.107,652 0.081,653 -0.074,654 0.137,655 0.126,656 0.144,657 -0.052,658 0.156,659 1.758,660 5.083,661 0.6,662 14,663 0.992,664 1.104,665 3.803,666 14.462,667 0.694,668 3.091,669 3.332,670 3.526,671 3.611,672 3.714,673 3.497,674 3.497,675 3.367,676 3.296,677 3.296,678 5.61,679 0.657,680 264.34,681 3.091,682 4.575,683 5.38,684 6.201,685 7.02,686 7.844,687 8.668,688 9.493,689 10.317,690 11.143,709 10,714 2,716 12,721 2,738 36,739 15,740 2,741 21,743 37,744 18,745 12,746 2,747 10,748 4,752 2,753 2,766 2,768 16,769 2,772 3,773 1,778 2,782 3,786 1,789 16,790 2,792 2,803 1,804 2,823 2,843 1,846 1,855 2,862 20,869 2,886 5.6,889 2,893 10.667,894 6.417,895 4.583,896 2.118,898 1.948,899 1.324,900 0.958,901 4.623,902 7.954,903 3.434,904 3.932,905 4.437,906 4.814,907 5.241,908 5.005,909 5.205,910 4.977,911 4.937,912 5.211,913 1,914 27,915 7.403,917 3.067,918 7.917,919 13.91,921 10.955,924 2.417,925 48.333,929 188.338,930 135.422,933 50.29,936 135.422,937 238.627,940 20.836,941 94.762,942 60.557,943 9.557,945 188.338,947 188.338,948 135.422,949 50.29,952 188.338,953 50.29,956 5.069,957 130.353,960 188.338,961 50.29,962 135.422,965 188.338,966 24.893,967 94.762,969 66.057,970 188.338,971 50.29,972 135.422,973 0.566,974 0.33,975 0.16,976 0.081,977 11,978 5,979 0.162,980 6,982 1,983 3.3,984 135.276,986 12,987 78.439,993 13.952,994 6.627,995 3.761,997 50.29,998 18.097,1003 1.289,1006 374.05,1007 30,1008 3.795,1013 24.039,1017 0.416,1020 35.723,1021 39.74,1022 0.242,1023 0.515,1024 0.641,1025 0.766,1026 0.839,1027 0.871,1028 4.605,1029 1,1030 5.323,1031 2.136,1032 4.007,1033 4.615,1034 1.45,1035 6.043,1036 4.036,1037 5.779,1038 0.726,1039 6.836,1040 2.136,1041 3.434,1042 4.159,1044 6.817,1045 3.509,1046 7.047,1047 0.188,1048 8.459,1049 1.726,1050 5.509,1051 6.684,1052 1.845,1053 9.88,1054 5.572,1055 8.353,1056 -0.743,1057 10.148,1058 0.396,1059 5.802,1060 7.052,1062 11.507,1063 5.921,1064 9.691,1065 -0.751,1066 11.879,1067 -1.603,1068 7.31,1069 9.021,1070 2.271,1071 14.058,1072 7.415,1073 11.053,1074 -1,1075 13.639,1076 -1.609,1077 8.001,1078 9.779,1080 16.011,1081 8.158,1082 12.433,1083 -1,1084 15.418,1085 -2.347,1086 9.263,1087 11.487,1088 2.72,1089 18.373,1090 9.417,1091 2.935,1092 -1,1093 17.21,1094 -2.347,1095 10.145,1096 12.459,1098 20.466,1099 10.343,1100 2.774,1101 9.377,1102 19.011,1103 -2.422,1104 11.296,1105 14.021,1106 3.184,1107 22.75,1108 11.5,1109 2.166,1110 8.536,1111 20.819,1112 3.78,1113 12.271,1114 15.12,1116 24.908,1117 12.509,1118 1.81,1119 5.864,1120 22.631,1121 3.669,1122 13.372,1123 16.593,1124 3.658,1125 27.158,1126 13.623,1127 1.482,1128 4.206,1129 24.448,1130 2.958,1131 14.39,1132 17.771,1134 29.347,1135 14.671,1136 1.147,1137 3.225,1138 26.268,1139 2.542,1140 15.469,1141 19.19,1142 4.138,1143 31.582,1144 15.767,1145 1,1146 2.644,1147 28.09,1148 2.069,1149 16.51,1150 20.418,1152 33.788,1153 16.833,1154 3904,1155 6474,1156 13.811,1157 25,1158 31.133,1159 32.83,1160 31.426,1161 30.486,1162 30.457,1163 41.883,1164 2.555,1165 80.492,1166 30.922,1167 5.196,1168 5.626,1169 6.131,1170 4.958,1171 4.935,1172 6.78,1173 2.555,1174 16.016,1175 4.999,1176 9.006,1177 1.483,1178 1.563,1179 1.496,1180 1.452,1181 1.45,1182 1.994,1183 0.122,1184 3.833,1185 1.472,1186 3.967,1187 3.99,1188 3.906,1189 3.899,1190 7.43,1191 3.897,1192 3.901,1193 3.924,1194 3.84,1195 3.841,1196 7.425,1197 3.837,1198 3.658,1199 3.701,1200 3.555,1201 3.564,1202 4.748,1203 3.556,1204 3.346,1205 3.37,1206 3.267,1207 3.191,1208 4.718,1209 3.202,1210 2.97,1211 3.001,1212 2.865,1213 2.82,1214 4.588,1215 2.821,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.734,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.795,1229 2.875,1230 2.591,1231 2.647,1232 3.674,1233 2.624,1234 0.204,1235 0.173,1236 0.301,1237 0.188,1238 0.14,1239 4.279,1240 0.18,1241 3.626,1242 0.061,1243 6.329,1244 0.447,1245 3.958,1246 0.143,1247 2.935,1248 3.78,1249 1.277,1250 9.377,1251 2.999,1252 1.934,1253 1.912,1254 2.052,1255 2.024,1256 1.203,1257 2.033,1258 1.903,1259 1.879,1260 2.019,1261 1.984,1262 1.08,1263 1.996,1264 1.666,1265 1.626,1266 1.861,1267 1.794,1268 1.006,1269 1.819,1270 1.299,1271 1.269,1272 1.506,1273 1.486,1274 0.488,1275 1.487,1276 0.933,1277 0.897,1278 1.181,1279 1.13,1280 0.224,1281 1.128,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.143,1291 1.062,1292 0.218,1293 1.107,1294 0.821,1295 0.748,1296 1.125,1297 1.036,1298 0.132,1299 1.071,1300 3.761,1302 5.017,1304 6.475,1306 8.011,1308 9.583,1315 0.697,1326 23.644,1327 45.059,1328 95.878,1329 119.388,1330 142.608,1331 156.117,1332 162.117,1333 42.951,1334 6.006,1335 34.14,1336 34.14,1337 12,1338 11.72,1339 4,1340 3.322,1341 36.589,1342 68,1343 56,1344 0.264,1345 150.292,1346 267.26,1347 358.472,1348 2716,1350 14.372,1351 0.719,1352 0.561,1353 14.372,1354 11.211,1355 9.682,1356 0.461,1357 0.311,1358 6.512,1359 9.55,1360 6.335,1361 5.3,1362 9.682,1363 6.54,1364 8.187,1365 0.303,1366 0.17,1367 8.187,1368 4.588,1369 6.823,1370 0.207,1371 0.094,1372 6.823,1373 3.107,1374 4.852,1375 0.135,1376 0.054,1377 4.852,1378 1.94,1379 3.666,1380 0.092,1381 0.031,1382 3.666,1383 1.23,1384 0.419,1385 59.244,1386 0.269,1387 20.308,1388 0.71,1389 96,1390 277.471,1391 100.207,1392 274.429,1393 362.96,1394 254,1395 108,1396 251.273,1397 112.319,1398 259.303,1399 370.16,1400 244,1401 4.824}
{0 CHEMBL1523189,1 1.738,2 6.611,3 0.392,4 0.154,5 61.312,6 9.393,7 0.3,8 3.438,9 3.512,10 3.186,11 2.96,12 4.738,13 3.016,14 3.937,15 4.03,16 3.59,17 3.324,18 5.326,19 3.379,20 4.144,21 4.268,22 3.596,23 3.368,24 5.603,25 3.421,26 4.02,27 4.158,28 3.401,29 3.274,30 5.537,31 3.285,32 3.93,33 4.089,34 3.192,35 3.121,36 5.299,37 3.112,38 3.734,39 3.92,40 3.052,41 2.773,42 5.158,43 2.807,44 3.406,45 3.513,46 2.869,47 2.436,48 5.086,49 2.555,50 3.08,51 3.172,52 2.535,53 2.098,54 5.153,55 2.195,56 0.153,57 0.385,58 2.826,59 2.09,60 16.236,61 1.837,62 0.369,63 0.609,64 5.942,65 3.436,66 28.222,67 3.205,68 0.612,69 0.694,70 9.679,71 4.083,72 71.055,73 3.392,74 0.506,75 0.605,76 9.018,77 4.182,78 68.312,79 4.092,80 0.434,81 0.547,82 8.705,83 3.812,84 58.993,85 3.897,86 0.418,87 0.43,88 8.885,89 3.035,90 51.264,91 3.612,92 0.418,93 0.281,94 5.322,95 1.829,96 49.02,97 1.349,98 0.321,99 0.183,100 3.835,101 1.523,102 65.625,103 1.352,104 10,105 29,106 0.339,107 0.698,108 0.806,109 0.841,110 0.841,111 0.841,112 2.962,113 0.792,114 -1.82,115 -1.88,116 -1.89,120 46.2,126 1,136 2,143 3,145 3,159 3,174 2,176 2,177 7,180 1,182 1,185 1,188 1,189 5,192 1,194 1,197 1,200 1,201 5,204 1,206 1,209 4,213 1,214 3,222 2,226 1,227 1,230 2,232 2,239 2,240 2,251 2,252 2,274 318,275 12.016,276 12.016,277 12.016,278 12.016,279 12.016,280 10.796,281 18.792,282 6.887,283 12.204,284 9.849,285 9.849,286 9.849,287 9.849,288 9.849,289 7.731,290 26.262,291 3.259,292 10.136,293 2.962,294 1.12,295 0.567,296 0.385,297 0.385,298 0.385,299 3.636,306 1,307 1,308 257,309 1.871,312 42.56,313 78.534,317 66.965,320 1.099,321 30.073,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41,333 119,334 4.434,335 3.875,336 6.737,337 4.125,338 3.161,339 3.99,340 2.03,341 10.891,342 3.04,343 4.18,344 3.651,345 6.181,346 3.833,347 2.875,348 3.558,349 1.349,350 9.202,351 2.749,352 3.593,353 3.205,354 5.133,355 3.221,356 2.21,357 2.844,358 0.892,359 6.089,360 2.219,361 3.362,362 3.007,363 4.95,364 2.942,365 1.954,366 2.591,367 0.8,368 5.71,369 1.917,370 3.214,371 2.459,372 4.732,373 2.795,374 1.732,375 2.303,376 0.141,377 4.726,378 1.822,379 2.885,380 1.98,381 4.393,382 2.506,383 1.566,384 2.01,386 4.274,387 1.466,388 2.495,389 1.363,390 3.766,391 1.911,392 0.95,393 1.285,395 2.415,396 0.908,397 2.007,398 1.135,399 3.283,400 1.637,401 0.702,402 0.869,404 1.71,405 0.649,406 1.499,407 0.985,408 2.683,409 0.951,410 -0.099,411 -0.144,413 -0.227,414 -0.1,415 1.206,416 0.642,417 2.395,418 0.756,419 -0.258,420 -0.345,422 -0.634,423 -0.256,424 0.745,425 -0.046,426 2.263,427 0.369,428 -0.61,429 -0.784,431 -1.653,432 -0.592,433 0.484,434 -0.125,435 2,436 0.099,437 -1,438 -1.303,440 -2.414,441 -1.006,442 0.461,443 -0.363,444 2,445 0.018,446 -1,447 -1.398,449 -2.726,450 -1.09,451 0.084,452 -0.849,453 1.632,454 -0.183,455 -1.174,456 -1.57,458 -3.443,459 -1.167,460 -0.241,461 -1.083,462 1.381,463 -0.59,464 -1.565,465 -1.926,467 -4.167,468 -1.508,469 8.133,470 0.452,471 0.524,472 0.029,473 26,474 1.444,475 13.5,476 0.75,477 12.5,478 0.694,479 9.666,480 0.537,481 18.867,482 0.726,483 17.8,484 0.989,485 5.371,486 0.298,487 3.277,488 0.182,489 0.123,491 0.418,496 0.722,497 1.308,498 0.578,499 1.026,500 0.542,501 0.811,502 0.747,503 1.238,504 0.719,505 1.042,506 0.587,507 0.928,508 1.16,509 0.928,510 1.106,511 0.905,512 1.096,513 0.937,514 0.915,515 0.924,516 1.035,517 1.031,518 0.758,519 1.072,520 0.963,521 1.076,522 1.158,523 1.15,524 1.137,525 1.217,526 0.853,527 0.98,528 0.805,529 0.955,530 1.048,531 0.904,532 1.421,533 0.714,534 1.12,535 0.832,536 1.536,537 0.814,538 1.139,539 0.929,540 0.999,541 1.132,542 1.033,543 1.061,544 4,546 2.444,547 1.597,548 0.997,549 0.514,550 0.364,551 0.194,552 0.082,554 2647,555 10132,556 2.086,557 30.8,559 7,562 1,567 1.589,568 1.929,569 2.773,570 -0.171,575 45.192,576 1.738,577 3.58,578 4.133,579 4.316,580 4.316,581 4.316,582 2.155,583 3.725,584 4.147,585 2.9,586 443.731,587 7.046,588 4101.02,590 1,593 122.211,594 1.481,595 4.09,596 0.2,598 0.084,599 0.057,600 0.043,601 0.029,602 0.024,603 0.016,604 0.01,606 0.464,607 0.67,608 1,609 0.662,610 74.752,611 -0.099,612 -0.212,613 0.025,614 -0.088,615 -0.054,616 -0.006,617 0.036,618 -0.177,619 0.014,620 -0.114,621 0.007,622 -0.092,623 -0.176,624 0.089,625 -0.205,626 0.021,627 -0.15,628 -0.051,629 -0.034,630 0.021,631 -0.091,632 -0.046,633 0.093,634 -0.08,635 -0.105,636 -0.145,637 -0.156,638 -0.168,639 -0.169,640 -0.183,641 0.129,642 -0.068,643 0.371,644 0.02,645 -0.027,646 0.198,647 -0.008,648 0.216,649 -0.06,650 0.088,651 -0.138,652 0.054,653 0.33,654 -0.132,655 0.115,656 -0.145,657 0.688,658 -0.115,659 2.067,660 4.517,661 0.833,662 10.296,663 1.045,664 1.118,665 0.593,666 0.352,667 0.697,668 3.045,669 3.401,670 3.689,671 3.97,672 4.127,673 4.159,674 4.29,675 4.407,676 4.369,677 4.263,678 4.313,679 0.711,680 244.22,681 3.045,682 4.595,683 5.46,684 6.354,685 7.233,686 8.131,687 9.015,688 9.913,689 10.799,690 11.697,691 7.7,698 2,709 3,714 3,716 6,735 1,738 26,739 10,740 1,741 20,743 28,744 12,745 6,746 3,747 3,748 4,752 3,753 4,768 11,769 1,772 4,778 3,780 2,782 3,786 1,789 8,790 6,791 1,792 6,797 2,800 1,803 0.667,804 4,822 1,823 2,827 1,838 1,845 2,855 2,862 18,869 1,871 1,872 1,875 1,886 15.4,889 3,891 1,893 9.333,894 4.783,895 3.861,896 1.435,898 1.845,899 1.281,900 1,901 2.419,902 8.41,903 3.332,904 3.882,905 4.398,906 4.926,907 5.407,908 5.597,909 5.96,910 6.306,911 6.363,912 6.454,913 1,914 28,915 6.657,917 2.985,918 8.306,919 12.008,921 9.871,924 2.806,925 50.5,929 82.398,930 76.844,931 21.135,933 86.435,936 76.844,937 168.832,938 21.135,940 25.727,941 47.381,942 89.549,943 21.757,945 82.398,947 82.398,948 97.98,949 86.435,952 82.398,953 86.435,956 25.727,957 53.3,958 18.952,960 82.398,961 107.57,962 76.844,965 82.398,966 29.463,967 50.506,968 18.011,969 86.435,970 82.398,971 107.57,972 76.844,973 0.595,974 0.353,975 0.193,976 0.098,977 16,978 7,979 0.036,980 1,981 1,982 1.133,983 3.001,984 134.611,985 0.133,986 15,987 69.059,993 10.989,994 3.962,995 1.821,997 107.57,998 4.747,1003 1.376,1005 18.011,1006 266.812,1007 27,1013 34.226,1015 2.41,1017 -1.067,1020 27.164,1021 29.08,1022 0.37,1023 0.762,1024 0.879,1025 0.918,1026 0.918,1027 0.918,1028 4.59,1029 0.702,1030 5.468,1031 2.415,1032 4.078,1033 4.564,1034 2.674,1035 6.308,1036 4.022,1037 5.8,1038 -0.099,1039 7.048,1040 1.71,1041 3.761,1042 4.425,1043 1.668,1044 7.265,1045 3.699,1046 7.113,1047 -0.258,1048 8.727,1049 -0.227,1050 5.7,1051 6.667,1052 3.491,1053 10.372,1054 5.571,1055 8.455,1056 -0.61,1057 10.462,1058 -0.634,1059 6.176,1060 7.284,1061 3.262,1062 12.167,1063 6.017,1064 9.827,1065 -1,1066 12.234,1067 -1.653,1068 7.62,1069 9.046,1070 4.6,1071 14.794,1072 7.405,1073 11.219,1074 -1,1075 14.033,1076 -2.414,1077 8.459,1078 10.02,1079 4.785,1080 16.932,1081 8.204,1082 12.627,1083 -1.174,1084 15.852,1085 -2.726,1086 9.71,1087 11.582,1088 5.861,1089 19.391,1090 9.407,1091 3.161,1092 -1.565,1093 17.687,1094 -3.443,1095 10.714,1096 12.738,1097 6.266,1098 21.669,1099 10.367,1100 2.875,1101 10.891,1102 19.535,1103 -4.167,1104 11.889,1105 14.207,1106 7.195,1107 24.07,1108 11.498,1109 2.21,1110 9.202,1111 21.392,1112 3.99,1113 12.965,1114 15.458,1115 7.722,1116 26.405,1117 12.532,1118 1.954,1119 6.089,1120 23.256,1121 3.558,1122 14.112,1123 16.881,1124 8.565,1125 28.787,1126 13.637,1127 1.732,1128 5.71,1129 25.127,1130 2.844,1131 15.22,1132 18.184,1133 9.164,1134 31.146,1135 14.704,1136 1.566,1137 4.726,1138 27.003,1139 2.591,1140 16.358,1141 19.584,1142 9.956,1143 33.524,1144 15.802,1145 0.95,1146 4.274,1147 28.883,1148 2.303,1149 17.481,1150 20.917,1151 10.596,1152 35.894,1153 16.885,1154 2605,1155 5178,1156 13.235,1157 18.114,1158 31.038,1159 33.004,1160 31.951,1161 30.178,1162 30.299,1163 38.901,1164 10.425,1165 90.032,1166 29.539,1167 5.378,1168 5.875,1169 6.096,1170 5.233,1171 5.161,1172 6.99,1173 3.634,1174 17.723,1175 5.04,1176 8.53,1177 1.552,1178 1.65,1179 1.598,1180 1.509,1181 1.515,1182 1.945,1183 0.521,1184 4.502,1185 1.477,1186 4.004,1187 4.028,1188 3.969,1189 3.884,1190 7.449,1191 3.899,1192 3.778,1193 3.796,1194 3.739,1195 3.61,1196 7.428,1197 3.636,1198 3.46,1199 3.488,1200 3.386,1201 3.26,1202 7.408,1203 3.288,1204 2.951,1205 3.01,1206 2.854,1207 2.769,1208 4.846,1209 2.772,1210 2.864,1211 2.84,1212 2.846,1213 2.637,1214 4.326,1215 2.647,1216 2.787,1217 2.821,1218 2.701,1219 2.525,1220 4.149,1221 2.607,1222 2.593,1223 2.635,1224 2.462,1225 2.221,1226 3.88,1227 2.28,1228 2.453,1229 2.5,1230 2.3,1231 2.156,1232 3.44,1233 2.187,1234 0.222,1235 0.194,1236 0.337,1237 0.206,1238 0.158,1239 4.434,1240 0.2,1241 3.875,1242 0.102,1243 6.737,1244 0.545,1245 4.125,1246 0.152,1247 3.161,1248 3.99,1249 2.03,1250 10.891,1251 3.04,1252 1.907,1253 1.886,1254 1.988,1255 2.044,1256 1.108,1257 2.025,1258 1.5,1259 1.478,1260 1.645,1261 1.701,1262 0.73,1263 1.659,1264 1.434,1265 1.405,1266 1.594,1267 1.649,1268 0.645,1269 1.644,1270 1.179,1271 1.163,1272 1.251,1273 1.446,1274 0.272,1275 1.391,1276 0.897,1277 0.836,1278 1.157,1279 1.154,1280 0.221,1281 1.155,1282 0.592,1283 0.572,1284 0.858,1285 0.83,1287 0.847,1288 0.443,1289 0.373,1290 0.705,1291 0.792,1293 0.754,1294 0.045,1295 0.055,1296 0.29,1297 0.525,1299 0.429,1300 3.714,1302 5.056,1303 2.398,1304 6.594,1305 4.727,1306 8.223,1307 6.783,1308 9.898,1315 -0.032,1317 2.62,1318 5.191,1321 1.029,1326 18.482,1327 45.192,1328 93.092,1329 107.457,1330 112.211,1331 112.211,1332 112.211,1333 32.588,1334 6.565,1335 77.4,1336 77.4,1337 17,1338 12.223,1339 3.459,1340 3,1341 25.661,1342 47,1343 40,1344 0.283,1345 112.78,1346 206.86,1347 266.944,1348 5156,1350 12.698,1351 0.705,1352 0.51,1353 12.698,1354 9.174,1355 8.648,1356 0.432,1357 0.264,1358 5.164,1359 8.165,1360 5.108,1361 4.177,1362 8.648,1363 5.278,1364 8.121,1365 0.28,1366 0.133,1367 8.121,1368 3.863,1369 6.852,1370 0.176,1371 0.068,1372 6.852,1373 2.663,1374 5.915,1375 0.114,1376 0.036,1377 5.915,1378 1.865,1379 4.498,1380 0.074,1381 0.019,1382 4.498,1383 1.149,1384 0.423,1385 55.436,1386 0.275,1387 17.646,1388 0.837,1389 98,1390 382.92,1391 113.321,1392 355.909,1393 471.59,1394 330,1395 117,1396 336.843,1397 132.018,1398 333.663,1399 492.41,1400 314,1401 5.041}
{0 CHEMBL1523387,1 1.729,2 10.185,3 2.606,4 6.793,5 97.922,6 8.35,7 0.567,8 3.944,9 4.051,10 3.6,11 3.391,12 5.189,13 3.429,14 4.418,15 4.558,16 3.965,17 3.753,18 5.637,19 3.788,20 4.584,21 4.731,22 4.058,23 3.871,24 5.813,25 3.9,26 4.695,27 4.859,28 4.09,29 3.887,30 6.065,31 3.902,32 4.756,33 4.959,34 3.957,35 3.821,36 6.023,37 3.821,38 4.546,39 4.738,40 3.718,41 3.674,42 5.682,43 3.652,44 4.432,45 4.648,46 3.585,47 3.587,48 5.563,49 3.542,50 4.427,51 4.673,52 3.483,53 3.469,54 5.492,55 3.425,56 0.226,57 0.692,58 7.686,59 3.539,60 10.749,61 4.038,62 0.51,63 1.042,64 14.731,65 5.476,66 25.152,67 6.546,68 0.525,69 1.215,70 17.125,71 6.328,72 28.189,73 7.465,74 0.739,75 1.279,76 20.318,77 7.061,78 57.278,79 8.989,80 0.886,81 1.227,82 25.624,83 7.448,84 82.644,85 9.566,86 0.657,87 1.03,88 19.843,89 6.225,90 46.245,91 7.855,92 0.494,93 0.964,94 17.408,95 5.49,96 31.147,97 7.546,98 0.573,99 0.866,100 19.764,101 5.591,102 46.89,103 7.87,104 21,105 43,106 0.297,107 0.651,108 0.737,109 0.815,110 0.831,111 0.838,112 3.341,113 0.808,114 -3.38,115 -3.36,116 -3.22,120 40.9,125 2,143 8,144 1,145 4,147 1,154 1,160 1,167 1,170 2,174 5,176 1,177 8,180 4,182 2,185 6,188 2,189 8,192 2,194 4,197 4,200 2,201 8,204 2,205 3,206 7,213 3,214 9,217 2,219 2,222 2,227 5,230 2,232 5,235 2,239 2,240 5,245 5,247 2,251 2,252 2,260 4,263 2,264 1,267 4,269 2,271 5,274 1026,275 18.48,276 18.48,277 18.48,278 18.48,279 18.48,280 16.421,281 24.084,282 10.664,283 19.055,284 14.682,285 14.682,286 14.682,287 14.682,288 14.682,289 11.363,290 33.532,291 4.902,292 15.394,293 3.731,294 1.671,295 1.171,296 0.716,297 0.625,298 0.58,299 4.036,305 1,306 1,307 1,308 597,309 2.646,312 64.426,313 223.208,317 118.2,320 1.539,321 30.449,323 1,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 60.5,333 275,334 4.489,335 4.199,336 6.905,337 4.221,338 3.264,339 4.079,340 1.656,341 11.502,342 3.118,343 4.33,344 3.548,345 6.273,346 3.943,347 2.968,348 3.917,349 1.131,350 9.525,351 2.893,352 4.048,353 3.106,354 6.116,355 3.636,356 2.678,357 3.621,358 0.86,359 8.861,360 2.562,361 3.741,362 2.827,363 5.514,364 3.368,365 2.408,366 3.057,367 0.86,368 7.362,369 2.302,370 3.355,371 2.698,372 5.181,373 3.012,374 2.061,375 2.604,376 0.247,377 6.016,378 1.97,379 3.347,380 2.555,381 5.006,382 2.972,383 2.04,384 2.568,386 5.818,387 1.867,388 3.173,389 2.342,390 4.969,391 2.828,392 1.858,393 2.331,395 5.525,396 1.796,397 2.873,398 1.577,399 4.182,400 2.408,401 1.418,402 2.031,404 3.425,405 1.402,406 2.642,407 1.495,408 3.843,409 2.159,410 1.181,411 1.677,413 3.039,414 1.148,415 2.355,416 1.394,417 3.637,418 1.955,419 0.97,420 1.302,422 2.508,423 0.954,424 2.166,425 1.081,426 3.285,427 1.667,428 0.682,429 1.006,431 1.667,432 0.671,433 1.592,434 0.916,435 3.115,436 1.323,437 0.47,438 0.516,440 0.677,441 0.398,442 1.576,443 0.79,444 2.842,445 1.27,446 0.396,447 0.452,449 0.602,450 0.342,451 1.32,452 0.649,453 2.785,454 0.946,455 -0.017,456 -0.019,458 -0.047,459 -0.016,460 1.129,461 0.544,462 2.667,463 0.867,464 -0.142,465 -0.186,467 -0.346,468 -0.142,469 12.333,470 0.457,471 0.657,472 0.024,473 38.25,474 1.417,475 20,476 0.741,477 18.25,478 0.676,479 18.943,480 0.702,481 29.067,482 0.661,483 29.988,484 1.111,485 8.014,486 0.297,487 5.087,488 0.188,489 0.135,491 0.389,496 0.808,497 1.17,498 0.698,499 1.022,500 0.747,501 0.865,502 0.968,503 1.095,504 0.753,505 0.857,506 0.669,507 0.775,508 1.081,509 1.195,510 0.936,511 1.073,512 0.999,513 0.98,514 0.815,515 1.239,516 0.924,517 1.194,518 0.887,519 1.099,520 1.229,521 0.95,522 1.032,523 0.9,524 1.47,525 0.912,526 1.237,527 1.109,528 1.15,529 1.013,530 1.039,531 1.056,532 0.85,533 1.114,534 1.074,535 1.061,536 0.838,537 1.097,538 0.957,539 0.828,540 0.948,541 0.833,542 1.147,543 0.862,544 5.5,545 0.128,546 2.889,547 2.375,548 2.121,549 1.122,550 0.477,551 0.344,552 0.309,553 0.217,554 8543,555 26193,556 2.097,557 38.6,559 14,562 3,567 1.702,568 1.952,569 3.32,570 1.018,571 1,572 1,575 76.06,576 1.729,577 3.789,578 4.289,579 4.743,580 4.834,581 4.88,582 2.75,583 4.385,584 4.728,585 3.478,586 1220.73,587 8.214,588 15302,590 1,592 1,593 240.215,594 1.447,595 4.681,596 0.183,597 0.006,598 0.067,599 0.052,600 0.047,601 0.029,602 0.015,603 0.013,604 0.013,605 0.009,606 0.434,607 0.33,608 1,609 0.862,610 132.536,611 0.01,612 0.029,613 0.047,614 -0.011,615 -0.104,616 0.014,617 -0.003,618 0.017,619 0.099,620 0.124,621 0.007,622 0.123,623 -0.125,624 -0.08,625 -0.082,626 -0.111,627 -0.101,628 -0.092,629 0.164,630 -0.176,631 -0.015,632 -0.242,633 0.211,634 -0.186,635 -0.091,636 0.004,637 -0.003,638 0.036,639 -0.072,640 0.038,641 -0.184,642 -0.136,643 -0.165,644 -0.051,645 -0.145,646 -0.099,647 -0.054,648 -0.093,649 -0.116,650 -0.109,651 -0.053,652 -0.119,653 -0.03,654 0.091,655 0.117,656 0.115,657 -0.096,658 0.159,659 2.186,660 5.44,661 0.778,662 22.37,663 1.025,664 1.132,665 2.151,666 4.628,667 0.669,668 3.434,669 3.784,670 4.111,671 4.419,672 4.644,673 4.762,674 4.883,675 4.977,676 5.106,677 5.165,678 6.111,679 0.662,680 367.4,681 3.434,682 4.99,683 5.866,684 6.767,685 7.66,686 8.566,687 9.464,688 10.373,689 11.274,690 12.184,691 11.4,697 1,698 2,699 1,701 1,709 8,710 1,711 1,714 7,716 17,735 2,738 44,739 18,740 2,741 30,743 47,744 18,745 15,746 5,747 7,752 4,753 5,757 1,768 16,769 2,772 1,778 1,782 1,785 1,786 1,789 17,790 8,791 3,792 9,797 5,803 0.75,804 4,814 1,822 1,823 3,827 1,853 1,855 3,859 2,862 27,868 1,871 1,872 2,875 2,886 9.1,887 1,889 1,891 2,893 13.833,894 8.467,895 6,896 2.268,898 3.303,899 1.427,900 0.976,901 4.651,902 11.047,903 3.701,904 4.307,905 4.901,906 5.498,907 5.973,908 6.267,909 6.646,910 6.981,911 7.342,912 7.646,913 0.857,914 46,915 9.925,917 4.276,918 7.92,919 18.38,921 14.768,924 2.42,925 65.333,928 1,929 164.795,930 126.123,931 54.339,933 89.95,936 126.123,937 254.746,938 54.339,939 21.766,940 21.013,941 118.616,942 41.808,943 62.933,944 4.276,945 164.795,947 164.795,948 180.461,949 89.95,952 164.795,953 47.145,954 42.806,956 42.76,957 121.038,958 16.663,960 164.795,961 144.289,962 126.123,965 164.795,966 28.546,967 100.578,968 34.674,969 106.613,970 164.795,971 144.289,972 126.123,973 0.582,974 0.36,975 0.204,976 0.111,977 22,978 10,979 0.085,980 4,981 1,982 1.095,983 3.792,984 241.109,985 0.095,986 21,987 120.382,993 17.663,994 7.111,995 3.206,997 127.626,998 13.911,999 4.242,1000 2.772,1003 3.763,1005 77.479,1006 435.207,1007 39.5,1013 12.44,1017 -0.519,1020 45.12,1021 49.82,1022 0.317,1023 0.694,1024 0.786,1025 0.869,1026 0.885,1027 0.894,1028 4.951,1029 1.418,1030 5.866,1031 5.525,1032 4.466,1033 4.994,1034 2.426,1035 6.723,1036 4.382,1037 6.162,1038 1.181,1039 7.453,1040 3.425,1041 4.111,1042 4.783,1043 1.195,1044 7.695,1045 3.984,1046 7.477,1047 0.97,1048 9.138,1049 3.039,1050 6.103,1051 7.166,1052 2.813,1053 10.827,1054 5.939,1055 8.825,1056 0.682,1057 10.88,1058 2.508,1059 6.567,1060 7.75,1061 2.324,1062 12.617,1063 6.355,1064 10.203,1065 0.47,1066 12.66,1067 1.667,1068 8.027,1069 9.599,1070 3.448,1071 15.277,1072 7.787,1073 11.602,1074 0.396,1075 14.465,1076 0.677,1077 8.864,1078 10.561,1079 3.407,1080 17.416,1081 8.574,1082 13.016,1083 -0.017,1084 16.29,1085 0.602,1086 10.125,1087 12.178,1088 4.254,1089 19.918,1090 9.805,1091 3.264,1092 -0.142,1093 18.129,1094 -0.047,1095 11.135,1096 13.333,1097 4.464,1098 22.213,1099 10.767,1100 2.968,1101 11.502,1102 19.981,1103 -0.346,1104 12.323,1105 14.837,1106 5.157,1107 24.661,1108 11.92,1109 2.678,1110 9.525,1111 21.843,1112 4.079,1113 13.413,1114 16.096,1115 5.504,1116 27.029,1117 12.962,1118 2.408,1119 8.861,1120 23.713,1121 3.917,1122 14.576,1123 17.543,1124 6.112,1125 29.461,1126 14.087,1127 2.061,1128 7.362,1129 25.591,1130 3.621,1131 15.704,1132 18.858,1133 6.531,1134 31.863,1135 15.168,1136 2.04,1137 6.016,1138 27.475,1139 3.057,1140 16.863,1141 20.276,1142 7.093,1143 34.293,1144 16.285,1145 1.858,1146 5.818,1147 29.364,1148 2.604,1149 18.009,1150 21.622,1151 7.551,1152 36.713,1153 17.385,1154 8169,1155 14463,1156 19.997,1157 29.415,1158 45.151,1159 48.401,1160 47.253,1161 44.653,1162 44.793,1163 58.323,1164 9.509,1165 133.051,1166 42.847,1167 5.435,1168 6.199,1169 6.587,1170 5.296,1171 5.264,1172 7.079,1173 2.912,1174 19.06,1175 5.118,1176 13.281,1177 1.505,1178 1.613,1179 1.575,1180 1.488,1181 1.493,1182 1.944,1183 0.317,1184 4.435,1185 1.428,1186 4.047,1187 4.09,1188 4.014,1189 3.918,1190 7.43,1191 3.933,1192 3.926,1193 3.955,1194 3.883,1195 3.834,1196 6.473,1197 3.84,1198 3.753,1199 3.795,1200 3.704,1201 3.575,1202 5.035,1203 3.604,1204 3.392,1205 3.437,1206 3.343,1207 3.116,1208 4.855,1209 3.169,1210 3.303,1211 3.355,1212 3.144,1213 3.006,1214 4.73,1215 3.026,1216 3.165,1217 3.246,1218 2.983,1219 2.9,1220 4.58,1221 2.902,1222 3.032,1223 3.091,1224 2.936,1225 2.785,1226 4.157,1227 2.797,1228 2.793,1229 2.854,1230 2.676,1231 2.655,1232 3.969,1233 2.646,1234 0.15,1235 0.14,1236 0.23,1237 0.141,1238 0.109,1239 4.489,1240 0.136,1241 4.199,1242 0.055,1243 6.905,1244 0.383,1245 4.221,1246 0.104,1247 3.264,1248 4.079,1249 1.656,1250 11.502,1251 3.118,1252 1.911,1253 1.887,1254 2.004,1255 2.056,1256 1.107,1257 2.034,1258 1.893,1259 1.871,1260 1.977,1261 1.995,1262 1.09,1263 1.988,1264 1.503,1265 1.458,1266 1.611,1267 1.748,1268 0.696,1269 1.71,1270 1.285,1271 1.234,1272 1.59,1273 1.558,1274 0.584,1275 1.565,1276 1.227,1277 1.163,1278 1.542,1279 1.558,1280 0.559,1281 1.544,1282 1.125,1283 1.059,1284 1.338,1285 1.451,1286 0.358,1287 1.414,1288 1.08,1289 0.982,1290 1.271,1291 1.339,1292 0.239,1293 1.356,1294 0.919,1295 0.86,1296 1.157,1297 1.239,1298 0.197,1299 1.187,1300 4.111,1302 5.451,1303 2.398,1304 6.997,1305 4.595,1306 8.639,1307 6.605,1308 10.334,1310 3.126,1314 10.5,1317 2.722,1318 10.549,1321 1.827,1326 29.127,1327 76.06,1328 166.705,1329 188.705,1330 208.705,1331 212.705,1332 214.705,1333 44.732,1334 7.744,1335 110.09,1336 110.09,1337 23,1338 12.701,1339 4.248,1340 3.392,1341 40.179,1342 100,1343 89,1344 0.201,1345 177.469,1346 304.22,1347 424.784,1348 24453,1350 18.966,1351 0.702,1352 0.542,1353 18.966,1354 14.632,1355 13.101,1356 0.437,1357 0.269,1358 7.884,1359 12.287,1360 7.707,1361 6.424,1362 13.101,1363 8.084,1364 11.707,1365 0.272,1366 0.135,1367 11.707,1368 5.788,1369 10.4,1370 0.173,1371 0.07,1372 10.4,1373 4.183,1374 9.052,1375 0.11,1376 0.035,1377 9.052,1378 2.85,1379 7.167,1380 0.07,1381 0.018,1382 7.167,1383 1.886,1384 0.311,1385 84.429,1386 0.224,1387 25.6,1388 0.563,1389 146,1390 500.957,1391 167.398,1392 473.159,1393 649.69,1394 442,1395 176,1396 495.118,1397 199.011,1398 493.896,1399 721.54,1400 461,1401 4.132}
{0 CHEMBL1524298,1 1.622,2 8.615,3 3.903,4 15.235,5 96.003,6 8.685,7 0.7,8 3.861,9 3.989,10 3.56,11 3.4,12 5.084,13 3.426,14 4.344,15 4.493,16 3.968,17 3.809,18 5.587,19 3.819,20 4.555,21 4.745,22 3.983,23 3.892,24 5.701,25 3.888,26 4.603,27 4.808,28 4.024,29 3.9,30 5.783,31 3.894,32 4.589,33 4.79,34 3.997,35 3.89,36 5.778,37 3.885,38 4.636,39 4.855,40 3.968,41 3.872,42 5.843,43 3.847,44 4.548,45 4.787,46 3.681,47 3.724,48 5.743,49 3.666,50 4.356,51 4.607,52 3.425,53 3.528,54 5.459,55 3.452,56 0.124,57 0.774,58 6.037,59 2.881,60 11.144,61 3.23,62 0.277,63 1.231,64 10.653,65 5.072,66 16.517,67 5.914,68 0.347,69 1.422,70 16.197,71 6.163,72 36.93,73 7.335,74 0.466,75 1.458,76 17.579,77 6.332,78 38.706,79 7.796,80 0.41,81 1.441,82 17.142,83 5.996,84 37.486,85 7.425,86 0.494,87 1.471,88 18.963,89 6.75,90 41.401,91 8.684,92 0.555,93 1.294,94 19.408,95 6.304,96 54.431,97 7.969,98 0.319,99 1.03,100 16.491,101 5.759,102 33.353,103 7.566,104 5,105 44,106 0.28,107 0.657,108 0.786,109 0.889,110 0.91,111 0.91,112 3.306,113 0.807,114 -5.32,115 -5.2,116 -4.86,120 45,129 1,143 8,144 2,145 1,147 2,152 1,153 1,160 1,163 1,164 1,165 1,166 1,170 1,174 7,176 2,177 6,179 1,180 4,181 1,182 1,184 1,185 7,189 6,194 1,197 5,200 3,201 7,203 2,204 4,206 6,209 2,211 1,214 7,219 3,222 3,226 1,227 5,229 1,230 3,231 2,232 6,234 1,235 2,237 3,240 6,245 8,247 4,249 4,252 2,257 3,260 6,262 1,264 1,269 2,271 5,273 1,274 952,275 17.947,276 17.947,277 17.947,278 17.947,279 17.947,280 15.219,281 15.262,282 10.493,283 18.369,284 14.874,285 14.874,286 14.874,287 14.874,288 14.874,289 10.811,290 21.834,291 5.015,292 15.63,293 3.7,294 1.513,295 0.769,296 0.169,297 0.05,298 0.05,299 4.019,305 1,306 1,307 1,308 505,309 2.236,312 89.114,313 164.975,316 141.987,320 1.183,321 25.917,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 57,333 224,334 4.715,335 3.597,336 7.063,337 4.296,338 3.357,339 4.607,340 1.313,341 12.22,342 3.167,343 4.413,344 3.104,345 6.583,346 3.997,347 3.025,348 4.104,349 0.873,350 10.457,351 2.929,352 3.972,353 2.897,354 5.913,355 3.547,356 2.586,357 3.492,358 0.157,359 8.235,360 2.484,361 3.789,362 2.811,363 5.501,364 3.325,365 2.388,366 3.221,368 7.033,369 2.23,370 3.417,371 2.41,372 5.117,373 2.996,374 2.068,375 2.705,377 6.072,378 1.91,379 3.319,380 2.136,381 5.004,382 2.858,383 1.927,384 2.575,386 5.686,387 1.789,388 3.153,389 1.853,390 4.755,391 2.667,392 1.72,393 2.426,395 4.987,396 1.621,397 2.854,398 1.517,399 4.38,400 2.406,401 1.442,402 1.998,404 3.903,405 1.386,406 2.797,407 1.376,408 3.789,409 2.317,410 1.337,411 1.905,413 2.95,414 1.307,415 2.677,416 1.257,417 3.609,418 2.189,419 1.205,420 1.758,422 2.663,423 1.182,424 2.288,425 0.958,426 3.48,427 1.825,428 0.855,429 1.194,431 2.235,432 0.828,433 2.245,434 0.789,435 3.401,436 1.736,437 0.782,438 1.139,440 2.011,441 0.743,442 1.779,443 0.503,444 3.22,445 1.329,446 0.388,447 0.527,449 1.026,450 0.364,451 0.989,452 0.19,453 2.775,454 0.639,455 -0.283,456 -0.325,458 -0.762,459 -0.26,460 0.93,461 -0.006,462 2.463,463 0.509,464 -0.399,465 -0.504,467 -0.89,468 -0.346,469 12.086,470 0.465,471 0.64,472 0.025,473 38.25,474 1.471,475 20,476 0.769,477 18.25,478 0.702,479 17.622,480 0.678,481 26.314,482 0.658,483 28.182,484 1.084,485 7.797,486 0.3,487 4.907,488 0.189,489 0.057,491 0.405,494 1,496 0.781,497 1.059,498 0.661,499 0.854,500 0.69,501 0.743,502 0.623,503 0.931,504 0.734,505 0.967,506 0.551,507 0.901,508 1.109,509 1.173,510 0.972,511 1.018,512 1.001,513 0.966,514 0.877,515 0.905,516 0.928,517 0.91,518 0.747,519 0.919,520 0.978,521 1.09,522 0.968,523 0.99,524 0.751,525 0.964,526 0.769,527 0.936,528 0.973,529 1.043,530 0.702,531 1.051,532 1.155,533 0.898,534 1.236,535 0.985,536 1.195,537 1.091,538 0.968,539 0.966,540 1.099,541 1.058,542 0.984,543 1.093,544 4.5,545 0.033,546 2.667,547 2.097,548 1.449,549 0.927,550 0.651,551 0.322,552 0.194,553 0.123,554 7523,555 22223,556 2.216,557 35,559 8,560 2,562 4,567 1.698,568 2.108,569 3.095,570 1.773,572 1,575 64.864,576 1.622,577 3.809,578 4.553,579 5.153,580 5.272,581 5.272,582 2.473,583 4.393,584 4.675,585 3.214,586 1044.49,587 8.14,588 12340.8,590 1,591 1,592 1,593 212.877,594 1.296,595 4.648,596 0.15,597 0.005,598 0.061,599 0.048,600 0.032,601 0.021,602 0.016,603 0.011,604 0.008,605 0.008,606 0.36,607 0.17,608 0.88,609 0.465,610 123.261,611 -0.095,612 -0.046,613 0.023,614 0.054,615 -0.125,616 0.07,617 0.13,618 0.074,619 0.015,620 -0.05,621 0.054,622 -0.058,623 -0.194,624 -0.176,625 -0.086,626 -0.07,627 -0.136,628 -0.05,629 0.002,630 0.046,631 -0.02,632 0.003,633 0.001,634 -0.014,635 -0.115,636 -0.143,637 -0.067,638 -0.071,639 -0.013,640 -0.054,641 0.096,642 -0.023,643 -0.019,644 -0.114,645 0.058,646 -0.105,647 -0.098,648 0.075,649 -0.199,650 -0.01,651 -0.096,652 -0.097,653 -0.099,654 -0.104,655 -0.037,656 -0.044,657 -0.084,658 -0.023,659 1.987,660 5.682,661 0.923,662 17.769,663 1.019,664 1.137,665 4.087,666 16.707,667 0.701,668 3.434,669 3.807,670 4.159,671 4.543,672 4.812,673 4.984,674 5.17,675 5.328,676 5.375,677 5.464,678 5.256,679 0.691,680 347.39,681 3.434,682 5.004,683 5.894,684 6.815,685 7.727,686 8.656,687 9.578,688 10.51,689 11.437,690 12.371,691 17.5,692 1,696 1,699 2,700 1,701 2,708 2,709 9,710 2,711 1,714 5,715 1,716 21,729 1,737 1,738 40,739 22,740 2,741 30,743 44,744 18,745 16,746 4,747 8,752 5,753 8,756 1,768 17,769 1,772 1,781 1,782 1,786 1,787 1,789 14,790 6,791 4,792 8,794 1,797 7,803 0.6,814 1,822 2,823 3,826 2,848 1,855 3,861 1,862 26,863 1,871 1,874 1,885 1,893 12.333,894 7.11,895 5.528,896 2.22,898 4.564,899 1.563,900 1.091,901 3.383,902 12.674,903 3.75,904 4.431,905 5.092,906 5.785,907 6.325,908 6.737,909 7.231,910 7.684,911 7.952,912 8.358,913 0.833,914 44,915 9.573,917 4.27,918 7.833,919 17.984,921 15.255,924 2.333,925 60.667,928 1,929 117.711,930 111.193,931 119.704,934 14.96,936 111.193,937 117.711,938 134.664,940 32.897,941 84.857,942 51.459,943 57.64,944 42.546,945 94.169,947 117.711,948 230.897,949 14.96,952 132.671,956 75.045,957 104.393,958 51.459,960 132.671,961 119.704,962 111.193,965 117.711,966 26.335,967 86.756,968 34.674,969 98.091,970 117.711,971 134.664,972 111.193,973 0.588,974 0.352,975 0.213,976 0.121,977 25,978 10,979 0.045,980 2,981 2,982 1.167,983 3.723,984 245.726,985 0.167,986 24,987 122.211,993 15.258,994 5.765,995 2.446,996 1.753,997 116.102,998 15.836,999 8.89,1000 2.863,1003 2.356,1004 1.958,1005 67.571,1006 363.568,1007 41.5,1016 4.55,1017 0.268,1020 40.76,1021 45.489,1022 0.305,1023 0.716,1024 0.856,1025 0.968,1026 0.991,1027 0.991,1028 4.999,1029 1.442,1030 5.894,1031 4.987,1032 4.489,1033 5.118,1034 1.65,1035 6.774,1036 4.39,1037 6.236,1038 1.337,1039 7.485,1040 3.903,1041 4.111,1042 4.945,1043 0.923,1044 7.784,1045 3.939,1046 7.566,1047 1.205,1048 9.179,1049 2.95,1050 6.133,1051 7.396,1052 1.765,1053 10.969,1054 5.938,1055 8.935,1056 0.855,1057 10.935,1058 2.663,1059 6.608,1060 8.097,1061 1.429,1062 12.86,1063 6.343,1064 10.337,1065 0.782,1066 12.734,1067 2.235,1068 8.098,1069 9.985,1070 2.053,1071 15.565,1072 7.805,1073 11.765,1074 0.388,1075 14.563,1076 2.011,1077 8.967,1078 11.11,1079 1.93,1080 17.812,1081 8.608,1082 13.213,1083 -0.283,1084 16.414,1085 1.026,1086 10.255,1087 12.766,1088 2.436,1089 20.364,1090 9.86,1091 3.357,1092 -0.399,1093 18.282,1094 -0.762,1095 11.304,1096 14.095,1097 2.453,1098 22.753,1099 10.845,1100 3.025,1101 12.22,1102 20.164,1103 -0.89,1104 12.52,1105 15.657,1106 2.879,1107 25.257,1108 12.017,1109 2.586,1110 10.457,1111 22.057,1112 4.607,1113 13.648,1114 17.084,1115 2.991,1116 27.703,1117 13.083,1118 2.388,1119 8.235,1120 23.958,1121 4.104,1122 14.842,1123 18.61,1124 3.362,1125 30.194,1126 14.226,1127 2.068,1128 7.033,1129 25.866,1130 3.492,1131 16.005,1132 20.082,1133 3.534,1134 32.666,1135 15.329,1136 1.927,1137 6.072,1138 27.781,1139 3.221,1140 17.195,1141 21.597,1142 3.869,1143 35.156,1144 16.464,1145 1.72,1146 5.686,1147 29.7,1148 2.705,1149 18.375,1150 23.091,1151 4.08,1152 37.639,1153 17.584,1154 6946,1155 12064,1156 20.69,1157 28.023,1158 46.869,1159 46.046,1160 47.363,1161 46.278,1162 46.162,1163 63.304,1164 4.686,1165 138.955,1166 43.88,1167 5.549,1168 5.597,1169 6.743,1170 5.396,1171 5.357,1172 7.607,1173 2.34,1174 19.919,1175 5.167,1176 9.085,1177 1.562,1178 1.535,1179 1.579,1180 1.543,1181 1.539,1182 2.11,1183 0.156,1184 4.632,1185 1.463,1186 4.161,1187 4.209,1188 4.135,1189 4.022,1190 8.201,1191 4.043,1192 3.977,1193 4.015,1194 3.94,1195 3.885,1196 5.201,1197 3.892,1198 3.753,1199 3.801,1200 3.698,1201 3.615,1202 5.002,1203 3.63,1204 3.575,1205 3.652,1206 3.512,1207 3.341,1208 4.955,1209 3.377,1210 3.2,1211 3.285,1212 3.119,1213 2.963,1214 4.573,1215 2.995,1216 2.968,1217 3.048,1218 2.867,1219 2.795,1220 4.385,1221 2.797,1222 2.905,1223 2.96,1224 2.841,1225 2.733,1226 4.105,1227 2.74,1228 2.847,1229 2.911,1230 2.718,1231 2.726,1232 3.735,1233 2.719,1234 0.157,1235 0.12,1236 0.235,1237 0.143,1238 0.112,1239 4.715,1240 0.154,1241 3.597,1242 0.044,1243 7.063,1244 0.407,1245 4.296,1246 0.106,1247 3.357,1248 4.607,1249 1.313,1250 12.22,1251 3.167,1252 1.94,1253 1.911,1254 2.025,1255 2.061,1256 1.185,1257 2.046,1258 1.893,1259 1.869,1260 1.989,1261 1.978,1262 1.085,1263 1.982,1264 1.696,1265 1.641,1266 1.787,1267 1.91,1268 0.919,1269 1.883,1270 1.356,1271 1.294,1272 1.507,1273 1.665,1274 0.509,1275 1.622,1276 1.218,1277 1.136,1278 1.341,1279 1.461,1280 0.299,1281 1.44,1282 1.062,1283 0.981,1284 1.256,1285 1.372,1286 0.211,1287 1.341,1288 0.955,1289 0.902,1290 1.135,1291 1.137,1292 0.19,1293 1.138,1294 0.859,1295 0.804,1296 1.093,1297 1.068,1298 0.136,1299 1.076,1300 4.111,1302 5.468,1303 3.045,1304 7.024,1305 5.416,1306 8.676,1307 7.554,1308 10.382,1312 13.682,1313 5.976,1317 2.999,1320 -0.462,1326 27.64,1327 64.864,1328 152.348,1329 182.122,1330 206.122,1331 210.877,1332 210.877,1333 35.002,1334 8.11,1335 96.91,1336 96.91,1337 28,1338 12.872,1339 4.524,1340 3.644,1341 33.603,1342 80,1343 81,1344 0.205,1345 165.95,1346 271.23,1347 396.678,1348 38546,1349 2.5,1350 17.673,1351 0.68,1352 0.52,1353 16.803,1354 13.518,1355 12.704,1356 0.423,1357 0.269,1358 7.936,1359 12.145,1360 7.844,1361 6.451,1362 12.31,1363 8.074,1364 11.812,1365 0.268,1366 0.137,1367 11.179,1368 6.007,1369 10.243,1370 0.163,1371 0.07,1372 9.916,1373 4.388,1374 9.551,1375 0.103,1376 0.035,1377 9.243,1378 3.288,1379 7.903,1380 0.065,1381 0.018,1382 7.701,1383 2.244,1384 0.308,1385 80.055,1386 0.22,1387 24.276,1388 0.612,1389 148,1390 466.67,1391 165.596,1392 434.953,1393 607.72,1394 408,1395 181,1396 469.756,1397 198.842,1398 467.992,1399 695.31,1400 443,1401 4.561}
{0 CHEMBL1524431,1 1.546,2 17.308,3 4.869,4 23.706,5 160.875,6 7.049,7 0.279,8 4.437,9 4.567,10 3.963,11 3.95,12 5.405,13 3.909,14 5.041,15 5.241,16 4.344,17 4.364,18 5.96,19 4.301,20 5.321,21 5.546,22 4.454,23 4.59,24 6.232,25 4.484,26 5.41,27 5.641,28 4.419,29 4.625,30 6.373,31 4.484,32 5.43,33 5.688,34 4.304,35 4.588,36 6.303,37 4.42,38 5.368,39 5.632,40 4.174,41 4.491,42 6.179,43 4.316,44 5.317,45 5.603,46 4.109,47 4.346,48 6.163,49 4.191,50 5.138,51 5.394,52 4.097,53 4.258,54 6.101,55 4.117,56 0.04,57 1.16,58 17.724,59 7.238,60 7.546,61 10.101,62 0.447,63 1.941,64 36.179,65 11.66,66 29.061,67 17.242,68 0.518,69 2.429,70 49.24,71 16.929,72 44.391,73 23.742,74 0.537,75 2.535,76 56.035,77 19.586,78 80.955,79 26.834,80 0.659,81 2.492,82 57.916,83 20.333,84 77.968,85 27.957,86 0.445,87 2.334,88 54.823,89 18.764,90 56.938,91 26.149,92 0.665,93 2.136,94 52.636,95 15.915,96 69.31,97 23.05,98 0.668,99 1.839,100 44.206,101 13.937,102 68.778,103 19.279,104 26,105 60,106 0.238,107 0.507,108 0.71,109 0.813,110 0.849,111 0.849,112 3.692,113 1.012,114 -4.21,115 -4.15,116 -3.92,120 38.5,121 2,122 4,126 9,143 6,144 3,145 3,159 2,160 1,174 11,176 2,177 9,180 1,182 2,185 11,188 2,189 10,194 2,197 8,201 8,204 1,206 1,209 3,213 3,214 11,217 1,219 1,222 3,227 7,232 1,235 3,239 2,240 7,245 1,247 6,251 2,252 5,255 1,260 8,263 2,264 5,267 2,271 9,274 3121,275 26.413,276 26.413,277 26.413,278 26.413,279 26.413,280 24.582,281 40.068,282 15.585,283 27.091,284 21.193,285 21.193,286 21.193,287 21.193,288 21.193,289 18.206,290 53.093,291 7.394,292 22.258,293 4.74,294 2.986,295 1.665,296 0.994,297 0.763,298 0.763,299 4.397,307 1,308 1481,309 3.742,313 682.591,317 206.408,320 2.588,321 36.269,324 0.75,325 0.83,326 0.83,327 0.9,328 1,329 0.83,330 1,331 0.88,332 83.5,333 675,334 4.498,335 4.015,336 6.76,337 4.175,338 3.211,339 4.082,340 1.94,341 10.985,342 3.105,343 4.322,344 3.719,345 6.471,346 3.995,347 3.034,348 3.931,349 1.821,350 10.032,351 2.921,352 4.018,353 3.466,354 6.165,355 3.75,356 2.818,357 3.31,358 1.068,359 9.103,360 2.663,361 3.946,362 3.24,363 6.016,364 3.728,365 2.761,366 3.108,367 0.86,368 8.533,369 2.624,370 3.647,371 3.118,372 5.875,373 3.346,374 2.412,375 2.857,376 0.8,377 7.972,378 2.247,379 3.532,380 2.645,381 5.183,382 3.233,383 2.258,384 2.819,385 0.8,386 6.217,387 2.197,388 3.393,389 2.577,390 5.149,391 2.979,392 2.031,393 2.571,394 0.555,395 6.017,396 1.944,397 3.225,398 2.314,399 4.875,400 2.96,401 1.97,402 2.359,403 0.214,404 5.398,405 1.903,406 2.962,407 2.28,408 4.466,409 2.75,410 1.806,411 2.014,413 4.504,414 1.717,415 2.826,416 2.094,417 4.266,418 2.697,419 1.734,420 1.851,422 4.078,423 1.645,424 2.686,425 2.032,426 3.999,427 2.425,428 1.437,429 1.692,431 3.401,432 1.409,433 2.553,434 1.61,435 3.905,436 2.126,437 1.183,438 1.53,440 2.972,441 1.109,442 2.352,443 1.566,444 3.718,445 2.041,446 1.115,447 1.299,449 2.71,450 1.03,451 2.256,452 1.334,453 3.514,454 2.001,455 1.038,456 1.236,458 2.7,459 0.981,460 2.101,461 1.256,462 3.414,463 1.967,464 1,465 1,467 2.275,468 0.965,469 18.833,470 0.483,471 0.942,472 0.024,473 43.5,474 1.115,475 17.5,476 0.449,477 26,478 0.667,479 43.024,480 1.103,481 43.567,482 0.559,483 34.777,484 0.892,485 8.294,486 0.213,487 10.608,488 0.272,489 0.133,491 0.324,496 0.778,497 1.513,498 0.76,499 1.123,500 0.535,501 1.064,502 1.014,503 1.134,504 0.825,505 0.905,506 0.567,507 0.921,508 1.068,509 1.002,510 0.953,511 0.927,512 0.885,513 0.973,514 1.042,515 1.113,516 1.06,517 1.113,518 1.323,519 1.12,520 0.905,521 0.947,522 1.016,523 1.01,524 1.206,525 1.034,526 0.921,527 1.119,528 1.067,529 1.12,530 0.972,531 1.098,532 1.145,533 0.869,534 0.924,535 0.844,536 1.258,537 0.87,538 1.177,539 0.886,540 1.03,541 0.906,542 1.406,543 0.925,544 7,545 0.21,546 5.111,547 2.75,548 2.356,549 1.361,550 0.868,551 0.53,552 0.423,553 0.304,554 29995,555 68624,556 2.095,557 50,558 10,559 24,562 1,563 2,564 2,567 1.786,568 1.966,569 4.026,570 -0.383,575 120.559,576 1.546,577 3.299,578 4.621,579 5.292,580 5.522,581 5.522,582 3.455,583 4.651,584 5.26,585 4.259,586 3155.77,587 9.227,588 58479.8,593 490.261,594 1.389,595 5.219,596 0.163,597 0.006,598 0.085,599 0.042,600 0.041,601 0.026,602 0.019,603 0.013,604 0.01,605 0.008,606 0.413,607 0.33,608 0.75,609 0.515,610 224.895,611 0.002,612 -0.281,613 0.057,614 -0.097,615 -0.002,616 -0.026,617 0.027,618 0.002,619 0.059,620 0.033,621 0.049,622 0.048,623 -0.073,624 0.07,625 -0.02,626 0.04,627 -0.023,628 0.008,629 -0.059,630 -0.094,631 -0.077,632 -0.1,633 -0.04,634 -0.12,635 0.02,636 0.02,637 -0.032,638 -0.012,639 -0.062,640 -0.036,641 -0.05,642 -0.156,643 -0.074,644 -0.122,645 -0.066,646 -0.102,647 -0.036,648 0.068,649 0.051,650 0.067,651 -0.052,652 0.077,653 0.045,654 0.101,655 0.012,656 0.067,657 0.014,658 0.033,659 1.721,660 6.3,661 0.718,662 52.801,663 0.995,664 1.129,665 2.982,666 8.89,667 0.654,668 3.784,669 4.111,670 4.394,671 4.635,672 4.883,673 4.927,674 5.056,675 5.159,676 5.236,677 5.231,678 10.146,679 0.608,680 549.81,681 3.784,682 5.333,683 6.188,684 7.064,685 7.935,686 8.815,687 9.693,688 10.576,689 11.458,690 12.343,691 6.4,697 2,698 3,709 6,714 6,716 12,732 2,738 78,739 15,740 2,741 43,743 82,744 30,745 12,746 6,747 6,748 1,752 5,753 6,757 1,759 2,766 4,768 15,769 15,772 3,778 2,779 1,782 3,789 39,790 8,791 1,792 9,793 1,797 5,800 1,803 0.8,804 3,823 5,827 1,839 1,854 1,855 4,857 1,859 2,862 39,869 13,871 1,872 1,875 4,886 3.8,889 2,890 1,893 19.833,894 14.467,895 8.556,896 5.068,898 2.171,899 1.254,900 0.979,901 9.308,902 10.731,903 3.97,904 4.477,905 4.966,906 5.437,907 5.91,908 6.061,909 6.313,910 6.521,911 6.684,912 6.739,913 1,914 65,915 14.562,917 6.194,918 7.607,919 28.516,921 23.866,924 2.107,925 82.167,929 447.302,930 181.284,931 30.508,933 61.29,935 45.192,936 136.092,937 508.592,938 30.508,939 17.65,940 58.322,941 56.857,942 70.699,943 24.076,944 0.285,945 447.302,946 45.192,947 447.302,948 166.6,949 61.29,950 45.192,952 423.76,953 73.832,954 11,956 75.973,957 90.627,959 45.192,960 447.302,961 91.798,962 181.284,965 447.302,966 61.584,967 87.005,968 18.011,969 106.482,970 447.302,971 91.798,972 181.284,973 0.583,974 0.346,975 0.184,976 0.102,977 28,978 13,979 0.098,980 8,981 1,982 1.071,983 5.032,984 371.66,985 0.071,986 28,987 198.131,990 1,993 28.188,994 12.878,995 6.695,997 91.798,998 12.486,1003 6.279,1005 18.011,1006 720.383,1007 52,1013 26.131,1014 5.505,1017 0.623,1020 77.589,1021 88.098,1022 0.246,1023 0.525,1024 0.735,1025 0.842,1026 0.879,1027 0.879,1028 5.236,1029 1.97,1030 6.172,1031 6.017,1032 4.796,1033 5.165,1034 2.949,1035 6.984,1036 4.708,1037 6.403,1038 1.806,1039 7.735,1040 5.398,1041 4.369,1042 4.956,1043 2.213,1044 7.892,1045 4.235,1046 7.695,1047 1.734,1048 9.4,1049 4.504,1050 6.392,1051 7.212,1052 3.664,1053 11.001,1054 6.218,1055 9.018,1056 1.437,1057 11.126,1058 4.078,1059 6.792,1060 7.821,1061 3.641,1062 12.736,1063 6.577,1064 10.377,1065 1.183,1066 12.89,1067 3.401,1068 8.275,1069 9.584,1070 4.705,1071 15.36,1072 8.021,1073 11.758,1074 1.115,1075 14.68,1076 2.972,1077 9.059,1078 10.565,1079 5.012,1080 17.435,1081 8.767,1082 13.157,1083 1.038,1084 16.49,1085 2.71,1086 10.325,1087 12.134,1088 5.878,1089 19.89,1090 9.997,1091 3.211,1092 1,1093 18.313,1094 2.7,1095 11.293,1096 13.302,1097 6.346,1098 22.117,1099 10.929,1100 3.034,1101 10.985,1102 20.146,1103 2.275,1104 12.471,1105 14.783,1106 7.108,1107 24.511,1108 12.073,1109 2.818,1110 10.032,1111 21.988,1112 4.082,1113 13.526,1114 16.05,1115 7.659,1116 26.809,1117 13.094,1118 2.761,1119 9.103,1120 23.837,1121 3.931,1122 14.672,1123 17.489,1124 8.367,1125 29.184,1126 14.207,1127 2.412,1128 8.533,1129 25.691,1130 3.31,1131 15.768,1132 18.81,1133 8.961,1134 31.518,1135 15.27,1136 2.258,1137 7.972,1138 27.55,1139 3.108,1140 16.904,1141 20.227,1142 9.641,1143 33.889,1144 16.374,1145 2.031,1146 6.217,1147 29.413,1148 2.857,1149 18.022,1150 21.58,1151 10.259,1152 36.243,1153 17.46,1154 27830,1155 42346,1156 28.838,1157 50.983,1158 64.833,1159 67.767,1160 66.155,1161 64.135,1162 64.011,1163 76.151,1164 16.118,1165 183.601,1166 61.21,1167 5.498,1168 6.015,1169 6.562,1170 5.279,1171 5.211,1172 7.082,1173 3.348,1174 18.499,1175 5.105,1176 19.561,1177 1.508,1178 1.576,1179 1.538,1180 1.492,1181 1.489,1182 1.771,1183 0.375,1184 4.27,1185 1.423,1186 4.037,1187 4.075,1188 4.063,1189 3.936,1190 7.429,1191 3.94,1192 3.976,1193 4.013,1194 3.923,1195 3.891,1196 7.425,1197 3.892,1198 3.81,1199 3.861,1200 3.786,1201 3.658,1202 4.879,1203 3.659,1204 3.749,1205 3.804,1206 3.71,1207 3.559,1208 4.744,1209 3.562,1210 3.665,1211 3.728,1212 3.546,1213 3.495,1214 4.668,1215 3.497,1216 3.491,1217 3.542,1218 3.506,1219 3.357,1220 4.533,1221 3.333,1222 3.315,1223 3.384,1224 3.299,1225 3.177,1226 4.277,1227 3.154,1228 3.277,1229 3.336,1230 3.146,1231 3.139,1232 4.101,1233 3.11,1234 0.105,1235 0.093,1236 0.157,1237 0.097,1238 0.075,1239 4.498,1240 0.095,1241 4.015,1242 0.045,1243 6.76,1244 0.255,1245 4.175,1246 0.072,1247 3.211,1248 4.082,1249 1.94,1250 10.985,1251 3.105,1252 1.956,1253 1.927,1254 2.08,1255 2.083,1256 1.358,1257 2.082,1258 1.953,1259 1.924,1260 2.042,1261 2.077,1262 1.303,1263 2.072,1264 1.782,1265 1.727,1266 1.995,1267 1.958,1268 1.245,1269 1.971,1270 1.693,1271 1.631,1272 1.909,1273 1.911,1274 1.138,1275 1.91,1276 1.643,1277 1.584,1278 1.854,1279 1.84,1280 1.073,1281 1.858,1282 1.451,1283 1.398,1284 1.682,1285 1.652,1286 0.964,1287 1.665,1288 1.331,1289 1.259,1290 1.654,1291 1.529,1292 0.825,1293 1.576,1294 1.233,1295 1.19,1296 1.513,1297 1.447,1298 0.825,1299 1.446,1300 4.466,1302 5.79,1304 7.315,1306 8.934,1308 10.602,1310 4.267,1315 9.903,1317 3.223,1318 5.456,1321 8.294,1326 47.394,1327 120.559,1328 257.326,1329 360.429,1330 412.752,1331 430.752,1332 430.752,1333 78.152,1334 8.56,1335 73.81,1336 105.9,1337 30,1338 12.876,1339 4,1340 3.322,1341 62.107,1342 245,1343 200,1344 0.12,1345 292.318,1346 520.08,1347 705.017,1348 83810,1350 27.355,1351 0.701,1352 0.613,1353 27.855,1354 23.895,1355 18.902,1356 0.44,1357 0.337,1358 13.941,1359 17.932,1360 13.556,1361 11.156,1362 19.191,1363 14.509,1364 16.981,1365 0.283,1366 0.185,1367 17.351,1368 11.071,1369 14.605,1370 0.183,1371 0.103,1372 14.937,1373 8.274,1374 11.942,1375 0.117,1376 0.058,1377 12.329,1378 5.882,1379 9.863,1380 0.075,1381 0.033,1382 10.139,1383 4.261,1384 0.2,1385 121.123,1386 0.186,1387 36.248,1388 0.303,1389 206,1390 546.98,1391 239.332,1392 545.187,1393 740.9,1394 512,1395 243,1396 526.506,1397 273.82,1398 538.978,1399 794.37,1400 508,1401 5.277}
{0 CHEMBL1524482,1 1.34,2 8.957,3 3.739,4 13.983,5 93.554,6 6.81,7 0.615,8 3.899,9 4.035,10 3.419,11 3.458,12 4.876,13 3.416,14 4.466,15 4.666,16 3.787,17 3.868,18 5.355,19 3.804,20 4.726,21 4.964,22 3.824,23 4.01,24 5.565,25 3.91,26 4.789,27 5.054,28 3.785,29 3.993,30 5.581,31 3.874,32 4.749,33 5.024,34 3.741,35 3.931,36 5.571,37 3.834,38 4.62,39 4.851,40 3.593,41 3.896,42 5.494,43 3.774,44 4.593,45 4.864,46 3.331,47 3.788,48 5.348,49 3.616,50 4.481,51 4.773,52 3.079,53 3.637,54 5.174,55 3.431,56 0.067,57 0.694,58 10.223,59 4.121,60 8.132,61 5.902,62 0.174,63 1.153,64 19.034,65 6.851,66 14.885,67 10.142,68 0.245,69 1.413,70 25.379,71 8.782,72 22.8,73 13.199,74 0.218,75 1.444,76 27.389,77 9.471,78 23.35,79 14.385,80 0.293,81 1.402,82 26.853,83 7.813,84 26.551,85 12.397,86 0.208,87 1.267,88 22.778,89 7.592,90 24.295,91 11.523,92 0.182,93 1.135,94 22.505,95 8.179,96 21.814,97 12.211,98 0.133,99 0.961,100 20.169,101 7.932,102 18.64,103 11.67,104 5,105 37,106 0.231,107 0.564,108 0.748,109 0.792,110 0.802,111 0.802,112 3.19,113 0.967,114 -5.14,115 -5.04,116 -4.72,120 42.2,121 2,122 2,123 1,126 2,143 6,144 2,146 1,147 1,154 1,162 1,167 1,174 10,176 2,177 9,185 12,188 2,189 5,197 5,200 1,201 12,209 5,214 11,222 3,227 9,235 9,240 4,247 8,252 2,260 9,271 7,274 644,275 15.792,276 15.792,277 15.792,278 15.792,279 15.792,280 13.954,281 12.104,282 9.324,283 16.048,284 12.863,285 12.863,286 12.863,287 12.863,288 12.863,289 10.096,290 16.709,291 4.462,292 13.304,293 4.152,294 2.217,295 1.151,296 0.895,297 0.834,298 0.834,299 3.889,305 1,306 1,307 1,308 455,309 2,312 43.33,313 178.214,316 81.877,320 1.437,321 9.591,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48,333 206,334 4.692,335 3.35,336 6.892,337 4.221,338 3.271,339 4.648,340 0.8,341 11.57,342 3.115,343 4.112,344 2.959,345 6.32,346 3.788,347 2.825,348 3.655,350 9.552,351 2.717,352 3.679,353 2.55,354 5.592,355 3.445,356 2.466,357 3.052,359 7.258,360 2.416,361 3.552,362 2.31,363 5.055,364 3.134,365 2.169,366 2.931,368 6.035,369 2.095,370 3.35,371 2.201,372 5.016,373 3.109,374 2.138,375 2.446,377 5.945,378 2.063,379 3.005,380 1.727,381 4.688,382 2.639,383 1.665,384 2.157,386 4.668,387 1.618,388 2.719,389 1.391,390 4.128,391 2.312,392 1.35,393 1.78,395 3.462,396 1.295,397 2.557,398 1.11,399 3.667,400 2.034,401 1.083,402 1.582,404 2.623,405 1.027,406 2.5,407 1.077,408 3.481,409 2,410 1,411 1.5,413 2.275,414 1,415 2.132,416 1,417 3.414,418 1.984,419 1,420 1.001,422 2.136,423 0.983,424 2,425 0.791,426 3.247,427 1.714,428 0.733,429 1,431 2.038,432 0.718,433 1.127,434 -0.07,435 2.784,436 0.842,437 -0.127,438 -0.141,440 -0.298,441 -0.122,442 0.898,443 -0.128,444 2.531,445 0.638,446 -0.329,447 -0.405,449 -0.793,450 -0.318,451 0.69,452 -0.643,453 2.229,454 0.278,455 -0.688,456 -0.916,458 -1.692,459 -0.659,460 0.576,461 -0.681,462 2.083,463 0.185,464 -0.795,465 -1,467 -2.206,468 -0.781,469 11.1,470 0.483,471 0.538,472 0.023,473 29.5,474 1.283,475 14.5,476 0.63,477 15,478 0.652,479 19.568,480 0.851,481 24.3,482 0.54,483 18.507,484 0.805,485 5.403,486 0.235,487 5.818,488 0.253,489 0.09,491 0.342,496 0.763,497 1.338,498 0.845,499 1.119,500 0.809,501 1.012,502 1.007,503 1.155,504 0.877,505 0.981,506 0.714,507 0.928,508 1.145,509 1.075,510 0.996,511 0.993,512 0.905,513 0.983,514 0.977,515 1.138,516 0.886,517 0.988,518 0.756,519 0.939,520 1.794,521 0.864,522 0.997,523 0.702,524 1.238,525 0.762,526 1.623,527 1.156,528 1.325,529 1.154,530 1.727,531 1.201,532 1.139,533 0.943,534 1.16,535 1.056,536 1.23,537 1.1,538 0.688,539 0.887,540 1.019,541 1.046,542 0.939,543 1.061,544 4,545 0.049,546 2.667,547 1.41,548 1.263,549 0.893,550 0.574,551 0.293,552 0.097,553 0.063,554 5469,555 10516,556 2.168,557 48.9,558 4,559 10,561 1,563 3,564 4,567 1.662,568 2.06,569 3.131,570 -0.815,572 1,574 1,575 60.315,576 1.34,577 3.275,578 4.341,579 4.597,580 4.658,581 4.658,582 2.653,583 3.915,584 4.492,585 3.241,586 819.849,587 7.76,588 8923.66,590 1,592 1,593 247.133,594 1.302,595 4.469,596 0.154,597 0.008,598 0.072,599 0.038,600 0.036,601 0.026,602 0.02,603 0.014,604 0.006,605 0.007,606 0.382,607 0.5,608 1,609 0.503,610 105.425,611 0.223,612 -0.15,613 0.095,614 -0.066,615 0.089,616 -0.01,617 0.171,618 -0.038,619 0.099,620 0.009,621 0.208,622 0.04,623 0.045,624 -0.019,625 -0.009,626 -0.029,627 0.095,628 -0.025,629 0.108,630 -0.148,631 0.104,632 -0.026,633 0.178,634 0.027,635 -0.26,636 0.189,637 0.032,638 0.195,639 -0.039,640 0.151,641 -0.34,642 -0.071,643 -0.339,644 -0.203,645 -0.39,646 -0.259,647 -0.198,648 0.022,649 -0.187,650 -0.078,651 -0.232,652 -0.122,653 -0.038,654 -0.001,655 -0.062,656 -0.038,657 -0.062,658 -0.05,659 0.718,660 1.756,661 0.913,662 17.913,663 0.986,664 1.127,665 3.915,666 15.326,667 0.664,668 3.296,669 3.638,670 3.951,671 4.277,672 4.554,673 4.654,674 4.812,675 4.963,676 4.984,677 5.037,678 5.19,679 0.618,680 306.45,681 3.296,682 4.844,683 5.714,684 6.611,685 7.504,686 8.41,687 9.313,688 10.224,689 11.133,690 12.048,691 8.9,697 1,699 1,701 2,708 1,709 7,710 2,714 4,716 16,732 1,738 45,739 16,740 1,741 26,743 48,744 19,745 12,746 1,747 5,752 4,753 5,759 2,763 2,764 1,766 2,768 12,769 7,770 1,786 1,789 22,790 3,792 4,797 4,803 0.75,814 1,817 1,822 1,823 3,826 1,855 3,859 2,862 23,869 4,874 1,875 1,893 11.167,894 8.717,895 4.972,896 2.959,898 3.195,899 1.434,900 1.01,901 3.721,902 10.561,903 3.555,904 4.186,905 4.837,906 5.51,907 6.087,908 6.48,909 6.954,910 7.403,911 7.656,912 7.973,913 1,914 37,915 8.506,917 3.601,918 7.399,919 16.938,921 14.355,924 1.899,925 43.667,926 0.001,928 1,929 258.964,930 106.007,931 37.737,936 106.007,937 258.964,938 37.737,939 17.65,940 9.28,941 56.857,942 46.935,943 24.792,945 247.193,947 258.964,948 143.744,952 211.88,953 47.084,956 43.942,957 66.353,958 33.449,960 258.964,961 37.737,962 106.007,965 258.964,966 22.452,967 87.844,969 33.449,970 258.964,971 37.737,972 106.007,973 0.583,974 0.342,975 0.196,976 0.116,977 20,978 8,979 0.042,980 2,981 1,982 1.095,983 3.512,984 195.892,985 0.095,986 21,987 96.042,993 14.559,994 5.879,995 2.69,996 0.949,997 36.573,998 14.474,999 9.399,1003 4.477,1006 402.708,1007 34,1020 44.36,1021 50.73,1022 0.244,1023 0.596,1024 0.791,1025 0.837,1026 0.848,1027 0.848,1028 4.796,1029 1.083,1030 5.7,1031 3.462,1032 4.317,1033 4.871,1034 0.673,1035 6.541,1036 4.248,1037 6.001,1038 1,1039 7.27,1040 2.623,1041 3.892,1042 4.677,1043 0.325,1044 7.496,1045 3.769,1046 7.313,1047 1,1048 8.944,1049 2.275,1050 5.927,1051 7.123,1052 0.379,1053 10.649,1054 5.775,1055 8.664,1056 0.733,1057 10.68,1058 2.136,1059 6.347,1060 7.836,1061 0.268,1062 12.481,1063 6.133,1064 10.053,1065 -0.127,1066 12.46,1067 2.038,1068 7.845,1069 9.736,1070 0.239,1071 15.155,1072 7.6,1073 11.471,1074 -0.329,1075 14.269,1076 -0.298,1077 8.663,1078 10.886,1079 0.188,1080 17.341,1081 8.354,1082 12.912,1083 -0.688,1084 16.101,1085 -0.793,1086 9.948,1087 12.563,1088 0.156,1089 19.857,1090 9.602,1091 3.271,1092 -0.795,1093 17.95,1094 -1.692,1095 10.955,1096 13.922,1097 0.125,1098 22.188,1099 10.548,1100 2.825,1101 11.57,1102 19.812,1103 -2.206,1104 12.159,1105 15.509,1106 0.102,1107 24.65,1108 11.709,1109 2.466,1110 9.552,1111 21.685,1112 4.648,1113 13.255,1114 16.965,1115 0.082,1116 27.042,1117 12.747,1118 2.169,1119 7.258,1120 23.566,1121 3.655,1122 14.432,1123 18.517,1124 0.066,1125 29.488,1126 13.877,1127 2.138,1128 6.035,1129 25.454,1130 3.052,1131 15.569,1132 20.016,1133 0.054,1134 31.907,1135 14.959,1136 1.665,1137 5.945,1138 27.348,1139 2.931,1140 16.74,1141 21.555,1142 0.043,1143 34.349,1144 16.081,1145 1.35,1146 4.668,1147 29.247,1148 2.446,1149 17.897,1150 23.074,1151 0.035,1152 36.78,1153 17.185,1154 5175,1155 7333,1156 17.8,1157 29.875,1158 39.828,1159 39.341,1160 40.385,1161 39.437,1162 39.404,1163 51.509,1164 1.6,1165 115.123,1166 38.092,1167 5.692,1168 5.35,1169 6.694,1170 5.294,1171 5.271,1172 7.648,1173 1.2,1174 19.117,1175 5.115,1176 8.447,1177 1.532,1178 1.513,1179 1.553,1180 1.517,1181 1.516,1182 1.981,1183 0.062,1184 4.428,1185 1.465,1186 4.144,1187 4.196,1188 4.121,1189 3.995,1190 5.119,1191 4.017,1192 3.867,1193 3.915,1194 3.783,1195 3.77,1196 4.719,1197 3.77,1198 3.791,1199 3.842,1200 3.676,1201 3.666,1202 4.422,1203 3.662,1204 3.433,1205 3.495,1206 3.332,1207 3.309,1208 4.328,1209 3.307,1210 3.254,1211 3.346,1212 3.092,1213 3.044,1214 3.936,1215 3.041,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.686,1221 2.91,1222 2.949,1223 3.035,1224 2.772,1225 2.771,1226 3.674,1227 2.757,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.581,1233 2.715,1234 0.18,1235 0.129,1236 0.265,1237 0.162,1238 0.126,1239 4.692,1240 0.179,1241 3.35,1242 0.031,1243 6.892,1244 0.445,1245 4.221,1246 0.12,1247 3.271,1248 4.648,1249 0.8,1250 11.57,1251 3.115,1252 1.954,1253 1.922,1254 2.084,1255 2.116,1256 1.434,1257 2.099,1258 1.881,1259 1.832,1260 2.033,1261 1.99,1262 1.14,1263 2.007,1264 1.752,1265 1.699,1266 1.896,1267 1.916,1268 1,1269 1.92,1270 1.355,1271 1.312,1272 1.589,1273 1.556,1274 0.825,1275 1.561,1276 1.255,1277 1.169,1278 1.513,1279 1.455,1280 0.748,1281 1.473,1282 1.153,1283 1.064,1284 1.489,1285 1.42,1286 0.617,1287 1.445,1288 1.144,1289 1.044,1290 1.436,1291 1.376,1292 0.485,1293 1.429,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.26,1299 1.107,1300 3.97,1302 5.303,1303 2.398,1304 6.841,1305 4.727,1306 8.472,1307 6.862,1308 10.154,1310 4.407,1315 4.686,1320 0.821,1321 2.448,1326 27.827,1327 60.315,1328 147.369,1329 195.359,1330 206.869,1331 209.624,1332 209.624,1333 25.495,1334 7.366,1335 33.43,1336 33.43,1337 23,1338 12.561,1339 4.087,1340 3.17,1341 31.692,1342 72,1343 76,1344 0.225,1345 170.137,1346 280.64,1347 406.894,1348 14588,1350 15.811,1351 0.687,1352 0.597,1353 15.811,1354 13.736,1355 11.22,1356 0.432,1357 0.322,1358 8.299,1359 10.904,1360 8.034,1361 6.705,1362 11.22,1363 8.379,1364 10.227,1365 0.276,1366 0.178,1367 10.227,1368 6.585,1369 8.754,1370 0.172,1371 0.094,1372 8.754,1373 4.773,1374 7.616,1375 0.107,1376 0.047,1377 7.616,1378 3.349,1379 6.55,1380 0.07,1381 0.027,1382 6.55,1383 2.52,1384 0.341,1385 69.297,1386 0.237,1387 22.13,1388 0.658,1389 126,1390 284.58,1391 135.048,1392 284.646,1393 411.77,1394 270,1395 151,1396 328.152,1397 161.991,1398 333.121,1399 492.03,1400 315,1401 6.796}
{0 CHEMBL1524542,1 1.606,2 7,3 3.126,4 9.77,5 83.949,6 7.554,7 0.231,8 3.894,9 3.997,10 3.467,11 3.356,12 5.029,13 3.363,14 4.457,15 4.616,16 3.825,17 3.751,18 5.606,19 3.725,20 4.685,21 4.879,22 3.986,23 3.925,24 5.767,25 3.889,26 4.827,27 5.007,28 4.163,29 3.98,30 6.141,31 4.006,32 4.904,33 5.041,34 4.251,35 4.07,36 6.4,37 4.093,38 4.999,39 5.165,40 4.038,41 4.057,42 6.281,43 4.029,44 4.957,45 5.163,46 3.562,47 3.842,48 6.141,49 3.748,50 4.621,51 4.914,52 2.68,53 3.489,54 5.469,55 3.229,56 0.101,57 0.623,58 8.883,59 4.174,60 9.678,61 5.185,62 0.678,63 0.974,64 18.495,65 6.702,66 48.41,67 8.987,68 0.481,69 1.216,70 23.308,71 8.516,72 41.885,73 11.964,74 0.776,75 1.334,76 27.993,77 8.132,78 108.224,79 11.096,80 1.151,81 1.42,82 29.314,83 8.935,84 145.781,85 11.422,86 0.886,87 1.401,88 33.836,89 10.89,90 117.519,91 13.512,92 1.198,93 1.177,94 35.927,95 10.149,96 153.552,97 12.797,98 0.602,99 0.873,100 26.278,101 8.234,102 73.887,103 12.132,104 34,105 38,106 0.282,107 0.557,108 0.687,109 0.765,110 0.784,111 0.808,112 3.231,113 0.917,114 -2.98,115 -2.98,116 -2.88,120 38.6,122 4,123 1,125 2,131 1,143 5,144 1,159 1,160 2,167 1,174 11,176 7,177 2,185 12,188 5,189 8,197 7,200 2,201 16,209 8,213 6,214 21,222 9,227 18,235 6,240 10,247 2,252 2,274 846,275 16.324,276 16.324,277 16.324,278 16.324,279 16.324,280 15.259,281 13.721,282 9.462,283 16.765,284 12.629,285 12.629,286 12.629,287 12.629,288 12.629,289 10.867,290 14.41,291 4.187,292 13.061,293 3.853,294 2.286,295 1.543,296 1.097,297 0.989,298 0.852,299 3.898,305 1,306 1,307 1,308 349,309 3.674,311 61.086,312 70.049,313 82.863,320 0.917,321 38.012,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 54,333 168,334 5.01,335 4.495,336 8.575,337 4.907,338 3.932,339 4.211,340 2.228,341 17.767,342 3.83,343 3.97,344 3.662,345 6.587,346 3.726,347 2.76,348 3.33,349 2.188,350 9.975,351 2.653,352 3.639,353 3.617,354 5.813,355 3.291,356 2.314,357 2.853,358 2.027,359 7.12,360 2.291,361 3.569,362 2.987,363 5.584,364 3.264,365 2.29,366 2.786,367 0.714,368 6.646,369 2.166,370 3.232,371 2.327,372 5.204,373 2.955,374 1.961,375 2.272,376 0.287,377 5.324,378 1.932,379 2.891,380 2.059,381 4.482,382 2.483,383 1.487,384 2,385 0.243,386 3.562,387 1.469,388 2.5,389 1.691,390 4.215,391 2.164,392 1.167,393 1.5,395 2.729,396 1.161,397 2.448,398 1.461,399 3.655,400 2,401 1.005,402 1.377,404 2.619,405 1,406 2.223,407 1.46,408 3.547,409 1.973,410 1,411 1.128,413 2.136,414 0.951,415 1.721,416 1.227,417 3.247,418 1.622,419 0.669,420 0.696,422 1.694,423 0.632,424 1.618,425 1,426 3,427 1.618,428 0.618,429 0.618,431 1.372,432 0.618,433 1.481,434 0.866,435 2.898,436 1.162,437 0.251,438 0.285,440 0.35,441 0.224,442 1.448,443 0.618,444 2.599,445 1.047,446 0.083,447 0.102,449 0.115,450 0.078,451 0.9,452 0.56,453 2.52,454 0.464,455 -0.586,456 -0.782,458 -1.444,459 -0.599,460 0.603,461 -0.199,462 2.417,463 0.173,464 -0.849,465 -1.118,467 -1.988,468 -0.866,469 10.967,470 0.457,471 0.588,472 0.025,473 26.25,474 1.094,475 10.5,476 0.438,477 15.75,478 0.656,479 22.218,480 0.926,481 27.433,482 0.623,483 22.216,484 0.926,485 5.216,486 0.217,487 6.367,488 0.265,489 0.182,490 0.046,491 0.301,496 0.672,497 1.435,498 0.729,499 1.296,500 0.515,501 1.072,502 0.576,503 0.992,504 0.799,505 0.888,506 0.503,507 0.909,508 0.479,509 1.218,510 0.682,511 1.107,512 0.629,513 0.977,514 1.107,515 1.058,516 0.82,517 0.859,518 1.166,519 0.754,520 1.137,521 1.083,522 1.075,523 1.053,524 1.162,525 1.02,526 1.54,527 1.142,528 1.308,529 1.234,530 1.562,531 1.218,532 1.826,533 0.856,534 1.52,535 0.975,536 1.746,537 1.156,538 0.802,539 0.935,540 1.163,541 1.092,542 0.748,543 1.216,544 4.5,546 3.444,547 3.84,548 2.683,549 1.42,550 0.594,551 0.274,552 0.105,553 0.016,554 4701,555 14213,556 2.005,557 45.5,558 8,559 11,564 1,567 1.686,568 1.834,569 2.738,570 -0.699,571 1,572 1,574 1,575 70.68,576 1.606,577 3.174,578 3.917,579 4.363,580 4.471,581 4.607,582 2.182,583 3.939,584 4.554,585 2.876,586 793.895,587 7.95,588 9086.63,590 1,592 1,593 240.215,594 1.697,595 4.483,596 0.173,598 0.096,599 0.091,600 0.054,601 0.027,602 0.015,603 0.012,604 0.015,605 0.016,606 0.499,607 0.33,608 1,609 1.26,610 108.828,611 0.004,612 -0.173,613 0.067,614 -0.137,615 -0.004,616 -0.045,617 0.3,618 0.135,619 0.104,620 0.16,621 0.12,622 0.078,623 0.208,624 -0.123,625 0.212,626 -0.068,627 0.078,628 0.04,629 -0.045,630 0.036,631 0.151,632 0.093,633 0.024,634 0.173,635 0.095,636 0.045,637 -0.112,638 -0.082,639 0.166,640 -0.122,641 -0.299,642 -0.165,643 -0.319,644 -0.247,645 -0.216,646 -0.278,647 -0.424,648 -0.02,649 -0.453,650 -0.046,651 -0.346,652 -0.229,653 -0.054,654 -0.13,655 -0.161,656 -0.135,657 -0.067,658 -0.175,659 2.56,660 6.078,661 0.625,662 16.354,663 1.018,664 1.131,665 1.75,666 3.062,667 0.639,668 3.296,669 3.664,670 4.094,671 4.454,672 4.7,673 4.779,674 4.762,675 4.615,676 4.304,677 3.761,678 4.542,679 0.622,680 332.39,681 3.296,682 4.86,683 5.778,684 6.73,685 7.693,686 8.668,687 9.646,688 10.628,689 11.612,690 12.598,691 4.5,698 2,709 5,714 1,716 6,738 44,739 9,740 1,741 26,743 46,744 17,745 6,746 1,747 5,752 3,753 3,763 4,764 2,766 4,768 9,769 8,770 2,772 3,778 3,782 3,785 1,786 1,789 20,790 7,792 7,797 2,801 1,803 1,804 5,821 1,822 1,823 1,852 2,855 3,859 2,862 24,869 4,872 2,874 1,875 2,876 1,886 11.4,889 3,891 2,893 13.083,894 8.483,895 5.528,896 2.684,898 1.031,899 1.154,900 0.912,901 4.611,902 7.727,903 3.497,904 3.98,905 4.508,906 5.008,907 5.444,908 5.546,909 5.778,910 5.902,911 5.84,912 5.609,913 0.8,914 42,915 9.007,917 4.008,918 8.052,919 16.692,921 13.908,924 2.552,925 61.25,929 235.422,930 100.701,931 6.004,933 97.435,936 100.701,937 332.857,938 6.004,939 21.766,940 16.142,941 47.381,942 80.139,943 25.185,944 13.525,945 235.422,947 235.422,948 106.704,949 97.435,952 223.651,953 109.206,956 16.142,957 90.563,960 235.422,961 103.438,962 100.701,965 235.422,966 31.553,967 75.151,969 97.435,970 235.422,971 103.438,972 100.701,973 0.575,974 0.381,975 0.233,976 0.14,977 19,978 9,979 0.087,980 4,982 1,983 3.293,984 211.006,986 15,987 102.039,993 16.932,994 6.536,995 2.364,997 103.438,998 9.086,1003 0.687,1006 439.561,1007 32,1013 37.499,1017 -2.094,1020 44.793,1021 49.78,1022 0.294,1023 0.581,1024 0.717,1025 0.799,1026 0.819,1027 0.844,1028 4.783,1029 1.005,1030 5.82,1031 2.729,1032 4.344,1033 4.663,1034 3.251,1035 6.851,1036 4.288,1037 5.98,1038 1,1039 7.521,1040 2.619,1041 4.205,1042 4.527,1043 2.768,1044 8.504,1045 4.123,1046 7.329,1047 0.669,1048 9.361,1049 2.136,1050 6.168,1051 6.713,1052 4.497,1053 11.811,1054 6.054,1055 8.731,1056 0.618,1057 11.292,1058 1.694,1059 6.995,1060 7.449,1061 4.622,1062 14.376,1063 6.855,1064 10.185,1065 0.251,1066 13.287,1067 1.372,1068 8.486,1069 9.145,1070 5.902,1071 17.34,1072 8.32,1073 11.674,1074 0.083,1075 15.327,1076 0.35,1077 9.677,1078 10.248,1079 6.309,1080 20.143,1081 9.485,1082 13.192,1083 -0.586,1084 17.397,1085 0.115,1086 11.06,1087 11.787,1088 7.373,1089 23.039,1090 10.844,1091 3.932,1092 -0.849,1093 19.49,1094 -1.444,1095 12.371,1096 13.057,1097 7.934,1098 25.898,1099 12.129,1100 2.76,1101 17.767,1102 21.598,1103 -1.988,1104 13.736,1105 14.537,1106 8.88,1107 28.779,1108 13.469,1109 2.314,1110 9.975,1111 23.718,1112 4.211,1113 15.085,1114 15.888,1115 9.53,1116 31.652,1117 14.793,1118 2.29,1119 7.12,1120 25.846,1121 3.33,1122 16.45,1123 17.344,1124 10.41,1125 34.53,1126 16.131,1127 1.961,1128 6.646,1129 27.979,1130 2.853,1131 17.811,1132 18.736,1133 11.114,1134 37.406,1135 17.467,1136 1.487,1137 5.324,1138 30.117,1139 2.786,1140 19.178,1141 20.181,1142 11.954,1143 40.283,1144 18.808,1145 1.167,1146 3.562,1147 32.258,1148 2.272,1149 20.544,1150 21.595,1151 12.692,1152 43.16,1153 20.148,1154 4817,1155 8501,1156 16.701,1157 28.137,1158 39.501,1159 41.414,1160 43.512,1161 39.021,1162 39.077,1163 46.314,1164 15.373,1165 122.818,1166 38.008,1167 6.01,1168 6.495,1169 8.377,1170 5.961,1171 5.932,1172 7.211,1173 3.932,1174 26.848,1175 5.83,1176 13.084,1177 1.519,1178 1.593,1179 1.674,1180 1.501,1181 1.503,1182 1.781,1183 0.591,1184 4.724,1185 1.462,1186 4.064,1187 4.097,1188 4.022,1189 3.956,1190 7.451,1191 3.961,1192 3.793,1193 3.839,1194 3.697,1195 3.709,1196 7.429,1197 3.696,1198 3.696,1199 3.733,1200 3.61,1201 3.443,1202 7.413,1203 3.489,1204 3.412,1205 3.427,1206 3.338,1207 3.057,1208 4.756,1209 3.115,1210 3.299,1211 3.342,1212 3.186,1213 3.016,1214 4.526,1215 3.046,1216 2.936,1217 3,1218 2.752,1219 2.735,1220 4.482,1221 2.716,1222 2.893,1223 2.979,1224 2.707,1225 2.717,1226 4.263,1227 2.715,1228 2.869,1229 2.93,1230 2.687,1231 2.671,1232 3.931,1233 2.635,1234 0.193,1235 0.173,1236 0.33,1237 0.189,1238 0.151,1239 5.01,1240 0.162,1241 4.495,1242 0.086,1243 8.575,1244 0.683,1245 4.907,1246 0.147,1247 3.932,1248 4.211,1249 2.228,1250 17.767,1251 3.83,1252 1.968,1253 1.943,1254 2.065,1255 2.101,1256 1.385,1257 2.08,1258 1.687,1259 1.649,1260 1.86,1261 1.863,1262 1.211,1263 1.85,1264 1.577,1265 1.507,1266 1.846,1267 1.751,1268 1.04,1269 1.793,1270 1.414,1271 1.369,1272 1.629,1273 1.675,1274 0.686,1275 1.673,1276 1.259,1277 1.217,1278 1.595,1279 1.621,1280 0.58,1281 1.597,1282 1.167,1283 1.099,1284 1.462,1285 1.473,1286 0.566,1287 1.482,1288 0.886,1289 0.821,1290 1.181,1291 1.118,1292 0.218,1293 1.107,1294 0.832,1295 0.782,1296 1.049,1297 1.063,1298 0.106,1299 1.062,1300 3.97,1302 5.361,1303 2.398,1304 7.017,1305 4.443,1306 8.809,1307 6.326,1308 10.679,1310 2.397,1315 3.589,1318 9.507,1320 -0.063,1321 1.851,1322 -1.209,1326 27.358,1327 70.68,1328 139.637,1329 172.341,1330 191.95,1331 196.705,1332 202.705,1333 61.973,1334 6.696,1335 76.15,1336 76.15,1337 15,1338 13.066,1339 3.322,1340 2.807,1341 38.492,1342 60,1343 72,1344 0.312,1345 167.665,1346 304.79,1347 400.864,1348 4761,1350 17.32,1351 0.722,1352 0.572,1353 17.32,1354 13.728,1355 11.584,1356 0.446,1357 0.306,1358 7.779,1359 10.931,1360 7.597,1361 6.316,1362 11.584,1363 7.947,1364 9.979,1365 0.263,1366 0.157,1367 9.979,1368 5.983,1369 9.291,1370 0.157,1371 0.083,1372 9.291,1373 4.908,1374 7.961,1375 0.094,1376 0.045,1377 7.961,1378 3.834,1379 6.495,1380 0.06,1381 0.022,1382 6.495,1383 2.449,1384 0.449,1385 74.443,1386 0.245,1387 22.248,1388 1.009,1389 128,1390 447.968,1391 147.557,1392 410.997,1393 548.19,1394 382,1395 161,1396 394.279,1397 181.951,1398 392.852,1399 590.9,1400 365,1401 4.826}
{0 CHEMBL1524741,1 1.568,2 9.444,3 3.405,4 11.597,5 100.899,6 8.168,7 0.581,8 3.93,9 4.025,10 3.591,11 3.496,12 5.067,13 3.505,14 4.457,15 4.584,16 3.971,17 3.884,18 5.584,19 3.884,20 4.694,21 4.867,22 4.042,23 3.984,24 5.791,25 3.969,26 4.674,27 4.853,28 3.974,29 3.954,30 5.846,31 3.922,32 4.676,33 4.871,34 3.917,35 3.977,36 5.786,37 3.928,38 4.66,39 4.852,40 3.89,41 3.983,42 5.765,43 3.924,44 4.618,45 4.808,46 3.806,47 3.925,48 5.698,49 3.857,50 4.55,51 4.757,52 3.672,53 3.768,54 5.611,55 3.69,56 0.053,57 0.631,58 7.416,59 3.812,60 6.802,61 4.352,62 0.28,63 1.057,64 14.628,65 6.354,66 18.504,67 7.204,68 0.427,69 1.298,70 21.442,71 8.123,72 33.361,73 9.703,74 0.46,75 1.307,76 20.733,77 7.79,78 45.421,79 9.529,80 0.397,81 1.278,82 21.817,83 8.295,84 43.337,85 10.298,86 0.359,87 1.249,88 21.146,89 8.428,90 38.958,91 10.53,92 0.325,93 1.162,94 20.275,95 8.391,96 36.475,97 10.426,98 0.37,99 1.039,100 20.231,101 8.22,102 38.228,103 10.572,104 2,105 44,106 0.268,107 0.587,108 0.73,109 0.867,110 0.893,111 0.901,112 3.341,113 0.852,114 -4.21,115 -4.15,116 -3.92,120 47.7,126 2,129 1,143 10,144 2,145 3,146 1,148 1,159 1,174 9,176 2,177 8,180 1,182 3,185 8,188 1,189 9,194 3,197 4,200 1,201 11,204 3,206 3,209 4,214 5,217 1,219 2,222 9,226 1,227 8,232 1,235 14,239 1,240 5,247 11,251 2,252 5,260 6,263 2,264 5,271 1,274 1138,275 18.913,276 18.913,277 18.913,278 18.913,279 18.913,280 16.669,281 24.851,282 11.275,283 19.374,284 15.354,285 15.354,286 15.354,287 15.354,288 15.354,289 11.949,290 37.377,291 5.38,292 16.112,293 3.892,294 2.02,295 1.181,296 0.381,297 0.227,298 0.182,299 4.059,305 1,306 1,307 1,308 576,309 2.345,312 49.924,313 252.932,316 97.756,317 101.934,320 1.243,321 25.244,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 58.5,333 255,334 4.599,335 3.897,336 7.117,337 4.341,338 3.376,339 4.107,340 1.309,341 12.361,342 3.263,343 4.274,344 3.259,345 6.184,346 3.863,347 2.92,348 3.913,349 0.883,350 9.233,351 2.752,352 3.952,353 3.006,354 6.073,355 3.534,356 2.576,357 3.501,358 0.86,359 8.616,360 2.46,361 3.61,362 2.704,363 5.66,364 3.295,365 2.345,366 2.901,367 0.86,368 7.358,369 2.22,370 3.387,371 2.462,372 5.196,373 2.971,374 1.966,375 2.674,376 0.213,377 6.169,378 1.962,379 3.208,380 2.179,381 4.903,382 2.858,383 1.893,384 2.379,386 5.185,387 1.823,388 2.923,389 2.024,390 4.413,391 2.53,392 1.618,393 2.065,395 4.361,396 1.469,397 2.895,398 1.789,399 3.763,400 2.433,401 1.445,402 2.06,404 3.104,405 1.426,406 2.597,407 1.555,408 3.672,409 2.323,410 1.402,411 1.609,413 3.008,414 1.277,415 2.5,416 1.322,417 3.609,418 2.124,419 1.141,420 1.5,422 2.702,423 1.117,424 2.486,425 1.15,426 3.549,427 1.958,428 1,429 1.481,431 2.359,432 0.955,433 2.384,434 1.009,435 3.247,436 1.939,437 0.94,438 1.313,440 2.136,441 0.935,442 1.915,443 1,444 3.203,445 1.596,446 0.693,447 0.822,449 1.609,450 0.619,451 1.443,452 0.693,453 3.087,454 1.102,455 0.142,456 0.171,458 0.386,459 0.134,460 1.053,461 0.209,462 2.687,463 0.686,464 -0.295,465 -0.372,467 -0.734,468 -0.284,469 12.7,470 0.47,471 0.534,472 0.02,473 40,474 1.481,475 21.5,476 0.796,477 18.5,478 0.685,479 18.09,480 0.67,481 27.5,482 0.625,483 29.25,484 1.083,485 8.024,486 0.297,487 5.286,488 0.196,489 0.026,491 0.346,496 0.812,497 1.244,498 0.675,499 1.016,500 0.616,501 0.852,502 1.069,503 1.084,504 0.894,505 0.985,506 0.748,507 0.921,508 1.15,509 1.158,510 0.938,511 0.962,512 0.937,513 0.912,514 1.009,515 1.128,516 1.053,517 1.025,518 1.174,519 1.037,520 1.023,521 0.957,522 1.001,523 0.887,524 1.38,525 0.92,526 0.923,527 0.949,528 1.005,529 0.94,530 1.15,531 0.973,532 0.924,533 0.936,534 1.043,535 1.041,536 1.139,537 1.059,538 0.775,539 0.967,540 0.935,541 1.103,542 0.721,543 1.066,544 3.5,545 0.049,546 2.667,547 2.486,548 1.579,549 0.886,550 0.439,551 0.358,552 0.285,553 0.1,554 8810,555 23490,556 2.231,557 38.6,559 14,560 1,561 1,562 1,567 1.707,568 2.16,569 3.198,570 -0.346,572 1,575 68.98,576 1.568,577 3.439,578 4.278,579 5.079,580 5.232,581 5.278,582 2.578,583 4.431,584 4.727,585 3.333,586 1169.78,587 8.241,588 14479.2,590 1,592 1,593 240.215,594 1.125,595 4.716,596 0.113,597 0.004,598 0.061,599 0.054,600 0.038,601 0.022,602 0.011,603 0.01,604 0.01,605 0.005,606 0.326,607 0.5,608 0.88,609 0.352,610 130.935,611 -0.05,612 -0.171,613 0.066,614 -0.072,615 -0.059,616 0.003,617 -0.036,618 -0.015,619 -0.048,620 -0.056,621 -0.052,622 -0.061,623 -0.054,624 -0.129,625 0.014,626 -0.021,627 -0.03,628 0.005,629 0.007,630 -0.062,631 -0.113,632 -0.102,633 0.053,634 -0.13,635 -0.106,636 0.063,637 -0.043,638 0.072,639 -0.081,640 0.038,641 -0.076,642 0.054,643 -0.062,644 0.033,645 -0.066,646 -0.001,647 -0.05,648 0.029,649 -0.094,650 -0.051,651 -0.124,652 -0.071,653 0.168,654 -0.06,655 0.078,656 -0.088,657 0.117,658 -0.032,659 1.737,660 6.032,661 0.926,662 20.757,663 1.011,664 1.114,665 2.977,666 8.86,667 0.698,668 3.466,669 3.807,670 4.159,671 4.5,672 4.779,673 4.86,674 5.043,675 5.209,676 5.323,677 5.371,678 5.667,679 0.679,680 359.41,681 3.466,682 5.017,683 5.9,684 6.801,685 7.704,686 8.616,687 9.527,688 10.445,689 11.361,690 12.282,691 6.8,696 1,698 1,701 1,709 11,710 1,714 6,716 18,724 1,729 1,735 2,738 44,739 19,740 2,741 31,743 48,744 21,745 17,746 5,747 7,748 1,752 5,753 7,768 18,769 3,772 1,778 1,782 1,785 1,786 1,789 17,790 6,791 1,792 6,797 3,803 0.6,804 3,816 1,822 1,823 4,826 1,827 1,855 3,862 27,869 2,871 1,872 2,874 1,875 1,886 6.8,889 1,891 2,893 12.5,894 7.9,895 5.861,896 2.603,898 3.169,899 1.398,900 1.034,901 4.038,902 11.137,903 3.738,904 4.324,905 4.918,906 5.49,907 6.028,908 6.186,909 6.588,910 6.979,911 7.343,912 7.638,913 1,914 46,915 9.994,917 4.398,918 7.704,919 19.063,921 16.066,924 2.204,925 59.5,928 1,929 188.338,930 139.642,931 37.921,933 47.145,936 139.642,937 235.482,938 37.921,940 12.309,941 94.762,942 76.417,943 50.662,944 14.099,945 164.795,947 188.338,948 177.563,949 47.145,952 188.338,953 47.145,956 21.357,957 121.41,958 34.796,960 188.338,961 85.065,962 139.642,965 188.338,966 35.832,967 106.934,968 18.011,969 63.93,970 188.338,971 85.065,972 139.642,973 0.579,974 0.353,975 0.209,976 0.12,977 24,978 9,979 0.063,980 3,981 2,982 1.16,983 3.891,984 251.499,985 0.16,986 25,987 126.382,993 16.302,994 6.689,995 2.852,997 85.065,998 20.559,999 4.377,1003 4.481,1005 18.011,1006 413.045,1007 41,1013 13.032,1017 -0.07,1020 44.473,1021 49.03,1022 0.287,1023 0.63,1024 0.784,1025 0.93,1026 0.958,1027 0.967,1028 4.98,1029 1.445,1030 5.878,1031 4.361,1032 4.489,1033 5.011,1034 2.148,1035 6.735,1036 4.4,1037 6.169,1038 1.402,1039 7.454,1040 3.104,1041 4.007,1042 4.663,1043 0.711,1044 7.719,1045 3.883,1046 7.47,1047 1.141,1048 9.139,1049 3.008,1050 6.107,1051 7.15,1052 2.151,1053 10.903,1054 5.934,1055 8.807,1056 1,1057 10.891,1058 2.702,1059 6.524,1060 7.646,1061 1.249,1062 12.793,1063 6.313,1064 10.182,1065 0.94,1066 12.687,1067 2.359,1068 8.057,1069 9.577,1070 2.314,1071 15.496,1072 7.806,1073 11.584,1074 0.693,1075 14.514,1076 2.136,1077 8.901,1078 10.483,1079 1.769,1080 17.755,1081 8.614,1082 13.006,1083 0.142,1084 16.365,1085 1.609,1086 10.211,1087 12.158,1088 2.603,1089 20.314,1090 9.889,1091 3.376,1092 -0.295,1093 18.233,1094 0.386,1095 11.253,1096 13.281,1097 2.309,1098 22.724,1099 10.897,1100 2.92,1101 12.361,1102 20.115,1103 -0.734,1104 12.482,1105 14.825,1106 2.982,1107 25.243,1108 12.093,1109 2.576,1110 9.233,1111 22.009,1112 4.107,1113 13.613,1114 16.066,1115 2.863,1116 27.713,1117 13.192,1118 2.345,1119 8.616,1120 23.913,1121 3.913,1122 14.817,1123 17.541,1124 3.421,1125 30.224,1126 14.365,1127 1.966,1128 7.358,1129 25.825,1130 3.501,1131 15.988,1132 18.848,1133 3.42,1134 32.719,1135 15.503,1136 1.893,1137 6.169,1138 27.744,1139 2.901,1140 17.187,1141 20.286,1142 3.895,1143 35.229,1144 16.672,1145 1.618,1146 5.185,1147 29.669,1148 2.674,1149 18.377,1150 21.631,1151 3.976,1152 37.734,1153 17.83,1154 8057,1155 13285,1156 21.671,1157 30.71,1158 47.314,1159 48.401,1160 47.871,1161 46.909,1162 46.915,1163 60.993,1164 8.251,1165 137.176,1166 44.826,1167 5.544,1168 5.897,1169 6.919,1170 5.482,1171 5.376,1172 7.107,1173 2.416,1174 19.871,1175 5.263,1176 6.267,1177 1.526,1178 1.561,1179 1.544,1180 1.513,1181 1.513,1182 1.968,1183 0.266,1184 4.425,1185 1.446,1186 4.062,1187 4.093,1188 4.023,1189 3.96,1190 7.428,1191 3.97,1192 3.918,1193 3.932,1194 3.873,1195 3.818,1196 4.965,1197 3.827,1198 3.81,1199 3.85,1200 3.746,1201 3.712,1202 4.89,1203 3.716,1204 3.486,1205 3.538,1206 3.371,1207 3.277,1208 4.707,1209 3.292,1210 3.352,1211 3.4,1212 3.261,1213 3.181,1214 4.398,1215 3.193,1216 3.066,1217 3.109,1218 2.974,1219 2.886,1220 4.214,1221 2.898,1222 2.896,1223 2.938,1224 2.783,1225 2.741,1226 4.001,1227 2.739,1228 2.817,1229 2.884,1230 2.685,1231 2.698,1232 3.828,1233 2.686,1234 0.148,1235 0.126,1236 0.23,1237 0.14,1238 0.109,1239 4.599,1240 0.132,1241 3.897,1242 0.042,1243 7.117,1244 0.399,1245 4.341,1246 0.105,1247 3.376,1248 4.107,1249 1.309,1250 12.361,1251 3.263,1252 1.918,1253 1.897,1254 2.015,1255 2.043,1256 1.165,1257 2.031,1258 1.867,1259 1.849,1260 1.967,1261 1.968,1262 1.089,1263 1.964,1264 1.82,1265 1.781,1266 1.934,1267 1.953,1268 0.965,1269 1.955,1270 1.441,1271 1.391,1272 1.689,1273 1.688,1274 0.917,1275 1.685,1276 1.316,1277 1.268,1278 1.472,1279 1.535,1280 0.672,1281 1.522,1282 1.056,1283 1.023,1284 1.21,1285 1.263,1286 0.277,1287 1.246,1288 0.871,1289 0.825,1290 1.122,1291 1.084,1292 0.189,1293 1.091,1294 0.842,1295 0.781,1296 1.12,1297 1.019,1298 0.179,1299 1.057,1300 4.143,1302 5.476,1303 2.398,1304 7.026,1305 4.949,1306 8.67,1307 7.222,1308 10.362,1315 1.082,1317 3.456,1318 11.258,1320 -0.355,1321 1.682,1326 29.896,1327 68.98,1328 151.332,1329 188.241,1330 223.46,1331 230.215,1332 232.215,1333 37.273,1334 7.968,1335 63.69,1336 63.69,1337 29,1338 12.791,1339 4.322,1340 3.459,1341 35.499,1342 88,1343 97,1344 0.191,1345 178.34,1346 310.33,1347 426.91,1348 32738,1350 18.217,1351 0.675,1352 0.536,1353 18.217,1354 14.462,1355 13.31,1356 0.429,1357 0.284,1358 8.67,1359 12.77,1360 8.553,1361 7.007,1362 13.31,1363 8.808,1364 11.83,1365 0.269,1366 0.144,1367 11.83,1368 6.356,1369 10.65,1370 0.169,1371 0.075,1372 10.65,1373 4.704,1374 9.533,1375 0.107,1376 0.039,1377 9.533,1378 3.482,1379 8.189,1380 0.069,1381 0.021,1382 8.189,1383 2.467,1384 0.29,1385 83.614,1386 0.215,1387 25.378,1388 0.555,1389 150,1390 446.83,1391 166.266,1392 424.519,1393 593.74,1394 402,1395 182,1396 447.855,1397 199.682,1398 447.752,1399 668.27,1400 425,1401 4.24}
{0 CHEMBL1525358,1 1.498,2 10.419,3 4.404,4 19.397,5 118.968,6 7.821,7 0.545,8 4.048,9 4.151,10 3.635,11 3.643,12 5.286,13 3.624,14 4.503,15 4.641,16 3.977,17 3.994,18 5.81,19 3.954,20 4.752,21 4.914,22 4.061,23 4.113,24 5.991,25 4.064,26 4.875,27 5.073,28 4.015,29 4.068,30 6.208,31 4.01,32 4.838,33 5.053,34 4.009,35 4.015,36 6.112,37 3.976,38 4.736,39 4.892,40 4.044,41 4,42 6.138,43 3.994,44 4.757,45 4.913,46 4.043,47 4.077,48 6.07,49 4.044,50 4.862,51 5.055,52 4.028,53 4.16,54 6.056,55 4.097,56 0.062,57 0.689,58 9.44,59 4.741,60 12.194,61 5.679,62 0.258,63 1.065,64 16.337,65 7.728,66 43.672,67 9.836,68 0.171,69 1.353,70 22.258,71 9.647,72 38.419,73 12.099,74 0.583,75 1.505,76 28.306,77 10.197,78 92.319,79 12.907,80 0.392,81 1.38,82 28.797,83 10.498,84 79.701,85 13.3,86 0.425,87 1.259,88 23.895,89 8.75,90 89.789,91 9.911,92 0.341,93 1.332,94 23.271,95 9.136,96 68.27,97 10.777,98 0.419,99 1.473,100 27.514,101 10.61,102 80.632,103 13.207,104 38,105 45,106 0.246,107 0.552,108 0.654,109 0.75,110 0.775,111 0.775,112 3.472,113 0.876,114 -4.97,115 -4.87,116 -4.57,120 47.2,121 2,136 1,137 1,143 12,144 4,145 2,159 3,168 1,172 1,174 18,175 1,177 3,180 3,182 7,185 19,186 2,189 4,194 10,197 15,198 2,200 1,201 8,204 2,205 1,206 6,209 9,210 1,214 11,219 5,222 11,223 1,227 11,232 9,235 12,236 1,240 9,245 9,247 16,252 2,253 2,257 2,258 2,260 26,263 2,267 4,268 2,271 32,274 2000,275 20.482,276 20.482,277 20.482,278 20.482,279 20.482,280 17.616,281 18.505,282 12.112,283 20.546,284 16.234,285 16.234,286 16.234,287 16.234,288 16.234,289 11.955,290 21.811,291 5.719,292 16.315,293 4.23,294 2.366,295 1.746,296 1.161,297 1.01,298 1.01,299 4.149,306 1,307 1,308 674,309 4.243,313 365.892,320 1.567,321 39.52,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 67,333 323,334 4.379,335 3.739,336 6.441,337 4.032,338 3.031,339 3.899,340 1.437,341 9.89,342 3.028,343 4.174,344 3.576,345 6.05,346 3.792,347 2.81,348 3.783,349 1.058,350 8.677,351 2.771,352 4.167,353 3.345,354 5.99,355 3.782,356 2.783,357 3.773,358 1.058,359 8.443,360 2.758,361 4.075,362 2.903,363 5.926,364 3.682,365 2.682,366 3.572,368 8.201,369 2.673,370 3.647,371 2.865,372 5.267,373 3.281,374 2.276,375 2.981,377 6.659,378 2.278,379 3.329,380 2.532,381 4.883,382 2.937,383 1.923,384 2.48,386 5.252,387 1.934,388 2.917,389 1.907,390 4.247,391 2.472,392 1.491,393 2.078,395 3.906,396 1.459,397 2.87,398 1.671,399 4.071,400 2.414,401 1.414,402 2.029,404 3.431,405 1.414,406 2.851,407 1.668,408 3.815,409 2.414,410 1.414,411 1.976,413 3.027,414 1.414,415 2.785,416 1.473,417 3.626,418 2.329,419 1.319,420 1.872,422 2.954,423 1.326,424 2.785,425 1.472,426 3.594,427 2.278,428 1.269,429 1.801,431 2.941,432 1.261,433 2.5,434 1.389,435 3.502,436 2,437 1,438 1.5,440 2.275,441 1,442 2.395,443 1,444 3.414,445 1.737,446 0.726,447 1.093,449 1.94,450 0.726,451 1.402,452 0.578,453 2.812,454 1.073,455 0.079,456 0.099,458 0.182,459 0.078,460 1.398,461 0.556,462 2.704,463 1.07,464 0.076,465 0.094,467 0.169,468 0.075,469 14.633,470 0.472,471 0.826,472 0.027,473 43.5,474 1.403,475 25,476 0.806,477 18.5,478 0.597,479 23.06,480 0.744,481 32.167,482 0.607,483 37.409,484 1.207,485 9.101,486 0.294,487 5.745,488 0.185,489 0.159,491 0.342,496 0.719,497 1.032,498 0.771,499 0.915,500 0.649,501 0.857,502 0.409,503 1.098,504 0.749,505 1.016,506 0.456,507 0.961,508 0.854,509 1.337,510 0.973,511 1.207,512 0.808,513 1.127,514 1.07,515 1.013,516 1.099,517 1.025,518 1.003,519 1.046,520 1.207,521 0.911,522 0.815,523 0.835,524 1.215,525 0.765,526 1.704,527 1.028,528 1.067,529 0.887,530 1.777,531 0.862,532 1.355,533 1.143,534 1.124,535 1.039,536 1.342,537 1.032,538 1.147,539 0.874,540 1.062,541 0.875,542 1.115,543 0.928,544 6.5,545 0.239,546 4,547 2,548 1.987,549 1.09,550 0.733,551 0.611,552 0.477,553 0.254,554 11931,555 35644,556 1.993,557 41.5,558 6,559 13,562 3,567 1.745,568 1.842,569 3.346,570 0.812,572 1,575 79.376,576 1.498,577 3.362,578 3.982,579 4.567,580 4.718,581 4.718,582 2.711,583 3.898,584 4.924,585 3.566,586 1658.29,587 8.648,588 24195.9,590 1,592 1,593 303.58,594 1.492,595 4.869,596 0.197,597 0.008,598 0.089,599 0.043,600 0.047,601 0.025,602 0.016,603 0.013,604 0.01,605 0.006,606 0.454,607 0.17,608 1,609 0.778,610 160.4,611 -0.077,612 0.054,613 -0.001,614 0.073,615 -0.097,616 0.056,617 0.25,618 -0.053,619 0.082,620 -0.023,621 0.157,622 -0.012,623 -0.048,624 -0.304,625 -0.082,626 -0.234,627 -0.027,628 -0.18,629 0.034,630 0.039,631 -0.105,632 -0.089,633 0.038,634 -0.113,635 -0.071,636 0.06,637 0.222,638 0.138,639 -0.026,640 0.219,641 -0.272,642 -0.007,643 -0.076,644 0.058,645 -0.219,646 0.033,647 -0.218,648 -0.098,649 -0.19,650 -0.089,651 -0.179,652 -0.125,653 -0.181,654 0.149,655 -0.103,656 0.093,657 -0.146,658 0.031,659 2.717,660 6.027,661 0.581,662 31.145,663 1.007,664 1.113,665 3.739,666 13.983,667 0.688,668 3.526,669 3.829,670 4.043,671 4.205,672 4.394,673 4.357,674 4.419,675 4.533,676 4.615,677 4.543,678 6.788,679 0.664,680 414.49,681 3.526,682 5.056,683 5.883,684 6.737,685 7.58,686 8.435,687 9.284,688 10.14,689 10.992,690 11.849,691 3.8,698 2,709 12,714 6,716 18,725 1,738 53,739 22,740 3,741 33,743 55,744 25,745 18,746 6,747 12,748 5,752 3,753 3,759 2,768 23,769 2,772 4,778 3,780 1,782 4,786 1,789 22,790 6,791 3,792 6,797 2,803 1,804 4,823 3,838 2,845 1,846 1,853 1,855 3,859 2,862 31,868 1,871 2,886 7.5,888 1,889 3,893 16.833,894 10.033,895 6.889,896 2.96,898 2.791,899 1.395,900 0.96,901 7.012,902 9.85,903 3.85,904 4.425,905 4.947,906 5.412,907 5.915,908 5.985,909 6.278,910 6.625,911 6.958,912 6.951,913 0.857,914 47,915 11.492,917 4.89,918 8.038,919 21.16,921 16.727,924 2.538,925 78.667,927 1,928 1,929 223.651,930 172.602,931 36.022,933 118.118,936 172.602,937 341.769,938 36.022,939 17.65,940 36.022,941 123.191,942 128.437,943 21.441,945 223.651,947 223.651,948 208.624,949 118.118,952 223.651,953 118.118,956 53.672,957 145.476,958 9.476,960 223.651,961 154.14,962 172.602,965 223.651,966 31.761,967 140.842,968 36.022,969 118.118,970 223.651,971 154.14,972 172.602,973 0.582,974 0.337,975 0.166,976 0.089,977 19,978 10,979 0.109,980 6,982 1,983 4.116,984 269.113,986 18,987 120.07,993 22.007,994 9.877,995 5.683,997 154.14,998 20.471,1003 3.569,1005 78.705,1006 550.393,1007 46,1013 37.131,1015 1.437,1017 -2.287,1020 53.349,1021 58.986,1022 0.261,1023 0.587,1024 0.695,1025 0.797,1026 0.824,1027 0.824,1028 5.066,1029 1.414,1030 5.866,1031 3.906,1032 4.511,1033 5.112,1034 2.263,1035 6.637,1036 4.501,1037 6.28,1038 1.414,1039 7.413,1040 3.431,1041 4.111,1042 4.868,1044 7.479,1045 4.103,1046 7.58,1047 1.319,1048 9.058,1049 3.027,1050 6.075,1051 7.26,1052 2.677,1053 10.527,1054 6.051,1055 8.913,1056 1.269,1057 10.76,1058 2.954,1059 6.463,1060 7.779,1062 12.159,1063 6.441,1064 10.274,1065 1,1066 12.497,1067 2.941,1068 7.912,1069 9.661,1070 3.187,1071 14.713,1072 7.876,1073 11.654,1074 0.726,1075 14.257,1076 2.275,1077 8.655,1078 10.54,1080 16.67,1081 8.619,1082 13.049,1083 0.079,1084 16.033,1085 1.94,1086 9.89,1087 12.186,1088 3.775,1089 19.04,1090 9.843,1091 3.031,1092 0.076,1093 17.821,1094 0.182,1095 10.801,1096 13.255,1098 21.148,1099 10.753,1100 2.81,1101 9.89,1102 19.617,1103 0.169,1104 11.941,1105 14.773,1106 4.418,1107 23.445,1108 11.885,1109 2.783,1110 8.677,1111 21.419,1112 3.899,1113 12.933,1114 15.949,1116 25.627,1117 12.875,1118 2.682,1119 8.443,1120 23.227,1121 3.783,1122 14.033,1123 17.396,1124 5.097,1125 27.899,1126 13.969,1127 2.276,1128 8.201,1129 25.039,1130 3.773,1131 15.065,1132 18.634,1134 30.12,1135 14.999,1136 1.923,1137 6.659,1138 26.855,1139 3.572,1140 16.149,1141 20.038,1142 5.796,1143 32.385,1144 16.079,1145 1.491,1146 5.252,1147 28.674,1148 2.981,1149 17.203,1150 21.315,1152 34.628,1153 17.131,1154 11746,1155 20466,1156 21.383,1157 36.443,1158 49.529,1159 51.583,1160 50.912,1161 48.583,1162 48.588,1163 66.06,1164 7.107,1165 135.895,1166 48.39,1167 5.296,1168 5.739,1169 6.128,1170 5.05,1171 5.031,1172 6.899,1173 2.873,1174 16.686,1175 5.028,1176 17.863,1177 1.501,1178 1.563,1179 1.543,1180 1.472,1181 1.472,1182 2.002,1183 0.215,1184 4.118,1185 1.466,1186 4.007,1187 4.032,1188 3.957,1189 3.931,1190 7.475,1191 3.932,1192 3.91,1193 3.943,1194 3.848,1195 3.847,1196 7.444,1197 3.843,1198 3.906,1199 3.931,1200 3.846,1201 3.844,1202 7.413,1203 3.84,1204 3.647,1205 3.657,1206 3.611,1207 3.51,1208 6.351,1209 3.532,1210 3.274,1211 3.267,1212 3.233,1213 3.035,1214 4.781,1215 3.071,1216 3.206,1217 3.263,1218 3.143,1219 3.029,1220 4.744,1221 3.012,1222 3.17,1223 3.255,1224 2.966,1225 3.012,1226 4.705,1227 2.998,1228 3.163,1229 3.243,1230 2.958,1231 2.913,1232 4.098,1233 2.946,1234 0.133,1235 0.113,1236 0.195,1237 0.122,1238 0.092,1239 4.379,1240 0.118,1241 3.739,1242 0.044,1243 6.441,1244 0.3,1245 4.032,1246 0.092,1247 3.031,1248 3.899,1249 1.437,1250 9.89,1251 3.028,1252 1.951,1253 1.931,1254 2.051,1255 2.048,1256 1.15,1257 2.048,1258 1.911,1259 1.881,1260 2.033,1261 2.003,1262 1.134,1263 2.015,1264 1.906,1265 1.88,1266 2.018,1267 1.988,1268 1.118,1269 1.998,1270 1.571,1271 1.561,1272 1.648,1273 1.739,1274 0.707,1275 1.709,1276 1.209,1277 1.131,1278 1.553,1279 1.419,1280 0.604,1281 1.47,1282 1.208,1283 1.13,1284 1.552,1285 1.418,1286 0.602,1287 1.469,1288 1.114,1289 1.109,1290 1.246,1291 1.415,1292 0.253,1293 1.346,1294 1.062,1295 1.008,1296 1.239,1297 1.382,1298 0.252,1299 1.337,1300 4.205,1302 5.509,1304 7.002,1306 8.575,1308 10.184,1310 3.716,1314 9.071,1317 5.559,1326 35.17,1327 79.376,1328 178.19,1329 211.05,1330 242.07,1331 250.07,1332 250.07,1333 79.717,1334 7.059,1335 95.5,1336 95.5,1337 18,1338 12.402,1339 4.524,1340 3.807,1341 57.676,1342 116,1343 135,1344 0.221,1345 219.916,1346 394.12,1347 528.355,1348 9777,1350 22.38,1351 0.722,1352 0.554,1353 22.38,1354 17.178,1355 14.846,1356 0.45,1357 0.292,1358 9.549,1359 14.448,1360 9.238,1361 7.758,1362 14.846,1363 9.639,1364 13.394,1365 0.298,1366 0.156,1367 13.394,1368 7.023,1369 10.829,1370 0.193,1371 0.085,1372 10.829,1373 4.744,1374 8.292,1375 0.126,1376 0.044,1377 8.292,1378 2.928,1379 6.52,1380 0.081,1381 0.024,1382 6.52,1383 1.912,1384 0.343,1385 92.203,1386 0.216,1387 28.993,1388 0.622,1389 156,1390 492.022,1391 168.964,1392 481.01,1393 639.53,1394 444,1395 179,1396 454.446,1397 190.639,1398 465.56,1399 670.9,1400 436,1401 4.537}
{0 CHEMBL1525789,1 1.468,2 9.909,3 4.714,4 22.223,5 85.016,6 7.821,7 0.84,8 3.737,9 3.842,10 3.372,11 3.339,12 4.871,13 3.323,14 4.22,15 4.37,16 3.718,17 3.712,18 5.289,19 3.684,20 4.396,21 4.595,22 3.659,23 3.76,24 5.407,25 3.693,26 4.377,27 4.582,28 3.577,29 3.662,30 5.396,31 3.59,32 4.29,33 4.529,34 3.421,35 3.478,36 5.249,37 3.419,38 4.041,39 4.229,40 3.274,41 3.334,42 5.079,43 3.292,44 3.939,45 4.139,46 3.125,47 3.267,48 4.918,49 3.191,50 3.836,51 4.046,52 3.001,53 3.155,54 4.79,55 3.08,56 0.057,57 0.527,58 6.703,59 3.161,60 7.28,61 3.995,62 0.064,63 0.864,64 12.089,65 5.229,66 9.946,67 6.72,68 0.159,69 0.991,70 16.336,71 6.519,72 19.959,73 8.673,74 0.174,75 0.973,76 16.287,77 6.326,78 22.1,79 8.389,80 0.203,81 0.887,82 16.38,83 5.557,84 21.862,85 7.324,86 0.159,87 0.679,88 11.754,89 4.128,90 17.226,91 4.985,92 0.094,93 0.627,94 10.358,95 3.974,96 12.95,97 5.172,98 0.105,99 0.559,100 9.623,101 3.578,102 12.038,103 4.651,104 3,105 35,106 0.26,107 0.573,108 0.732,109 0.837,110 0.85,111 0.85,112 3.147,113 0.88,114 -4.89,115 -4.8,116 -4.5,120 48.6,121 1,122 1,143 8,144 2,147 2,152 2,153 1,162 1,167 1,174 10,176 1,177 6,185 11,188 1,189 6,197 7,200 2,201 8,209 2,213 1,214 7,222 2,227 7,235 2,240 7,247 2,252 5,260 5,264 2,271 7,274 600,275 15.403,276 15.403,277 15.403,278 15.403,279 15.403,280 13.074,281 3.638,282 9.099,283 15.593,284 12.324,285 12.324,286 12.324,287 12.324,288 12.324,289 8.77,290 1.471,291 4.297,292 12.649,293 3.741,294 1.968,295 1.068,296 0.473,297 0.399,298 0.399,299 3.849,306 1,307 1,308 485,309 2.121,312 96.794,313 125.424,316 84.066,320 1.554,321 10.252,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 46.5,333 218,334 4.542,335 3.115,336 6.413,337 4.063,338 3.105,339 4.471,341 10.031,342 2.99,343 4.285,344 2.9,345 6.177,346 3.854,347 2.883,348 3.971,350 9.208,351 2.789,352 3.908,353 2.623,354 5.862,355 3.53,356 2.539,357 3.426,359 8.119,360 2.515,361 3.601,362 2.337,363 5.223,364 3.191,365 2.213,366 3.034,368 6.506,369 2.155,370 3.268,371 1.828,372 4.599,373 2.797,374 1.82,375 2.586,377 4.798,378 1.776,379 3.026,380 1.528,381 4.412,382 2.474,383 1.528,384 2.286,386 4.298,387 1.442,388 2.807,389 1.345,390 4.048,391 2.326,392 1.338,393 1.947,395 3.317,396 1.32,397 2.5,398 1,399 3.461,400 2,401 1,402 1.5,404 2.356,405 1,406 2.358,407 0.89,408 3.262,409 1.851,410 0.875,411 1.289,413 2.136,414 0.852,415 2.155,416 0.71,417 3.247,418 1.662,419 0.668,420 0.986,422 1.625,423 0.664,424 2,425 0.647,426 3.182,427 1.593,428 0.618,429 0.814,431 1.328,432 0.601,433 1.525,434 0.276,435 2.788,436 1.233,437 0.263,438 0.334,440 0.465,441 0.255,442 0.777,443 -0.596,444 2.482,445 0.363,446 -0.624,447 -0.826,449 -1.503,450 -0.613,451 0.726,452 -0.679,453 2.219,454 0.288,455 -0.7,456 -0.947,458 -1.655,459 -0.692,460 0.553,461 -0.868,462 2.173,463 0.057,464 -0.899,465 -1.25,467 -2.347,468 -0.857,469 10.533,470 0.479,471 0.427,472 0.019,473 32.5,474 1.477,475 18,476 0.818,477 14.5,478 0.659,479 13.569,480 0.617,481 21.867,482 0.591,483 20.514,484 0.932,485 6.378,486 0.29,487 4.453,488 0.202,489 0.047,491 0.323,496 0.651,497 1.157,498 0.701,499 0.966,500 0.718,501 0.864,502 0.851,503 1.156,504 0.788,505 1.003,506 0.721,507 0.906,508 0.9,509 1.029,510 0.922,511 0.972,512 0.864,513 0.951,514 0.995,515 1.159,516 1.009,517 1.124,518 1.111,519 1.08,520 1.486,521 0.87,522 0.951,523 0.806,524 1.184,525 0.803,526 2.038,527 0.951,528 1.175,529 0.884,530 1.537,531 0.917,532 1.257,533 1.141,534 1.118,535 1.054,536 1.288,537 1.065,538 1.362,539 0.945,540 1.093,541 0.906,542 1.146,543 0.952,544 4,545 0.048,546 2.222,547 1.042,548 1.109,549 0.539,550 0.313,551 0.179,552 0.135,553 0.088,554 5469,555 12805,556 2.205,557 40.5,558 5,559 8,560 2,567 1.641,568 2.129,569 3.302,570 -0.807,575 54.333,576 1.468,577 3.241,578 4.142,579 4.736,580 4.811,581 4.811,582 2.754,583 4.061,584 4.429,585 3.4,586 785.291,587 7.59,588 8539.11,590 1,593 192.75,594 1.143,595 4.418,596 0.16,597 0.005,598 0.063,599 0.033,600 0.04,601 0.022,602 0.015,603 0.01,604 0.008,605 0.007,606 0.363,607 0.67,608 1,609 0.608,610 101.352,611 0.213,612 -0.111,613 0.086,614 -0.04,615 0.066,616 -0.004,617 0.054,618 -0.117,619 0.07,620 -0.073,621 0.099,622 -0.014,623 0.048,624 -0.036,625 0.021,626 -0.012,627 0.099,629 0.115,630 -0.164,631 -0.038,632 -0.175,633 -0.006,634 -0.137,635 -0.089,636 0.146,637 0.105,638 0.139,639 0.034,640 0.15,641 -0.353,642 0.073,643 -0.178,644 0.042,645 -0.212,646 -0.028,647 -0.181,648 -0.135,649 -0.164,650 -0.109,651 -0.221,652 -0.131,653 -0.223,654 0.06,655 -0.117,656 0.046,657 -0.132,658 -0.008,659 0.986,660 1.965,661 0.909,662 18.231,663 0.998,664 1.113,665 3.659,666 13.391,667 0.704,668 3.258,669 3.584,670 3.892,671 4.174,672 4.382,673 4.5,674 4.635,675 4.787,676 4.836,677 4.875,678 5.676,679 0.674,680 289.36,681 3.258,682 4.796,683 5.659,684 6.541,685 7.422,686 8.311,687 9.199,688 10.091,689 10.983,690 11.877,691 8.1,699 1,701 2,708 1,709 10,710 2,712 1,714 5,716 21,738 37,739 21,740 1,741 25,743 40,744 18,745 16,746 1,747 5,752 4,753 5,759 1,766 1,768 16,769 2,789 15,790 3,792 4,794 1,796 1,797 3,803 0.75,804 1,816 1,822 2,823 2,826 1,855 3,859 1,862 22,869 1,886 2.7,891 1,893 10.333,894 7.1,895 4.833,896 2.381,898 4,899 1.547,900 1.04,901 3.188,902 11.31,903 3.597,904 4.263,905 4.934,906 5.59,907 6.116,908 6.534,909 7.011,910 7.502,911 7.825,912 8.194,913 0.857,914 32,915 8.075,917 3.428,918 7.545,919 15.639,921 12.904,924 2.045,925 45,929 176.567,930 124.313,931 37.669,933 9.734,936 124.313,937 186.301,938 37.669,939 8.825,940 2.535,941 93.905,942 38.097,943 22.905,944 28.991,945 153.024,947 176.567,948 161.982,949 9.734,952 176.567,953 9.734,956 19.875,957 105.725,958 36.382,960 176.567,961 47.403,962 124.313,965 176.567,966 21.583,967 104.017,969 46.116,970 176.567,971 47.403,972 124.313,973 0.577,974 0.344,975 0.189,976 0.102,977 19,978 7,979 0.075,980 3,981 1,982 1.1,983 3.572,984 177.585,985 0.1,986 20,987 94.107,993 13.141,994 5.338,995 2.426,996 0.923,997 46.116,998 20.102,999 8.77,1001 5.465,1003 4.604,1006 348.283,1007 35.5,1020 36.934,1021 41.196,1022 0.282,1023 0.622,1024 0.795,1025 0.909,1026 0.923,1027 0.923,1028 4.806,1029 1,1030 5.631,1031 3.317,1032 4.263,1033 4.949,1035 6.438,1036 4.209,1037 6.028,1038 0.875,1039 7.18,1040 2.356,1041 3.761,1042 4.691,1044 7.286,1045 3.664,1046 7.339,1047 0.668,1048 8.826,1049 2.136,1050 5.849,1051 7.229,1053 10.384,1054 5.736,1055 8.692,1056 0.618,1057 10.53,1058 1.625,1059 6.217,1060 7.865,1062 12.065,1063 6.054,1064 10.077,1065 0.263,1066 12.271,1067 1.328,1068 7.721,1069 9.794,1071 14.641,1072 7.541,1073 11.485,1074 -0.624,1075 14.036,1076 0.465,1077 8.48,1078 10.854,1080 16.654,1081 8.249,1082 12.911,1083 -0.7,1084 15.818,1085 -1.503,1086 9.749,1087 12.526,1089 19.046,1090 9.495,1091 3.105,1092 -0.899,1093 17.613,1094 -1.655,1095 10.693,1096 13.799,1098 21.204,1099 10.391,1100 2.883,1101 10.031,1102 19.416,1103 -2.347,1104 11.865,1105 15.358,1107 23.525,1108 11.534,1109 2.539,1110 9.208,1111 21.226,1112 4.471,1113 12.896,1114 16.737,1116 25.749,1117 12.519,1118 2.213,1119 8.119,1120 23.042,1121 3.971,1122 14.029,1123 18.249,1125 28.045,1126 13.619,1127 1.82,1128 6.506,1129 24.861,1130 3.426,1131 15.103,1132 19.681,1134 30.3,1135 14.649,1136 1.528,1137 4.798,1138 26.685,1139 3.034,1140 16.221,1141 21.174,1143 32.588,1144 15.732,1145 1.338,1146 4.298,1147 28.511,1148 2.586,1149 17.316,1150 22.633,1152 34.859,1153 16.785,1154 5111,1155 7980,1156 17.394,1157 26.04,1158 37.868,1159 37.746,1160 38.175,1161 37.724,1162 37.7,1163 53.287,1165 108.374,1166 36.719,1167 5.225,1168 5.115,1169 6.215,1170 5.111,1171 5.105,1172 7.471,1174 16.753,1175 4.99,1176 6.132,1177 1.515,1178 1.51,1179 1.527,1180 1.509,1181 1.508,1182 2.131,1184 4.335,1185 1.469,1186 4.142,1187 4.185,1188 4.113,1189 3.996,1190 5.253,1191 4.018,1192 3.949,1193 3.975,1194 3.902,1195 3.866,1196 4.984,1197 3.868,1198 3.704,1199 3.731,1200 3.643,1201 3.57,1202 4.713,1203 3.583,1204 3.5,1205 3.566,1206 3.378,1207 3.328,1208 4.302,1209 3.334,1210 3.127,1211 3.196,1212 2.969,1213 2.984,1214 3.951,1215 2.97,1216 2.886,1217 2.958,1218 2.751,1219 2.749,1220 3.717,1221 2.741,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.699,1227 2.715,1228 2.789,1229 2.836,1230 2.678,1231 2.657,1232 3.674,1233 2.654,1234 0.182,1235 0.125,1236 0.257,1237 0.163,1238 0.124,1239 4.542,1240 0.179,1241 3.115,1243 6.413,1244 0.401,1245 4.063,1246 0.12,1247 3.105,1248 4.471,1250 10.031,1251 2.99,1252 1.929,1253 1.89,1254 2.042,1255 2.074,1256 1.207,1257 2.064,1258 1.908,1259 1.882,1260 2.022,1261 1.982,1262 1.1,1263 1.997,1264 1.576,1265 1.552,1266 1.738,1267 1.734,1268 0.868,1269 1.726,1270 1.425,1271 1.348,1272 1.631,1273 1.642,1274 0.728,1275 1.65,1276 1.225,1277 1.183,1278 1.356,1279 1.43,1280 0.423,1281 1.396,1282 0.907,1283 0.869,1284 1.181,1285 1.21,1286 0.218,1287 1.17,1288 0.886,1289 0.821,1290 1.122,1291 1.088,1292 0.205,1293 1.107,1294 0.88,1295 0.814,1296 1.104,1297 1.062,1298 0.173,1299 1.103,1300 3.932,1302 5.252,1303 3.045,1304 6.765,1305 5.352,1306 8.36,1307 7.424,1308 9.997,1310 2.137,1315 0.999,1326 24.94,1327 54.333,1328 119.921,1329 153.24,1330 175.24,1331 177.995,1332 177.995,1333 22.468,1334 7.311,1335 43.33,1336 43.33,1337 22,1338 12.404,1339 4.459,1340 3.524,1341 30.041,1342 75,1343 74,1344 0.2,1345 151.892,1346 244.95,1347 362.375,1348 14204,1350 14.941,1351 0.679,1352 0.556,1353 14.941,1354 12.23,1355 10.831,1356 0.433,1357 0.293,1358 7.255,1359 10.485,1360 7.081,1361 5.908,1362 10.831,1363 7.334,1364 9.57,1365 0.273,1366 0.149,1367 9.57,1368 5.223,1369 8.534,1370 0.178,1371 0.078,1372 8.534,1373 3.765,1374 7.167,1375 0.112,1376 0.039,1377 7.167,1378 2.504,1379 5.678,1380 0.072,1381 0.021,1382 5.678,1383 1.636,1384 0.313,1385 67.331,1386 0.24,1387 21.754,1388 0.551,1389 120,1390 324.671,1391 129.788,1392 320.055,1393 457.72,1394 302,1395 143,1396 365.361,1397 154.563,1398 367.239,1399 536.57,1400 347,1401 6.796}
{0 CHEMBL1525858,1 1.461,2 10.792,3 3.811,4 14.524,5 92.06,6 7.909,7 0.778,8 3.803,9 3.9,10 3.44,11 3.42,12 4.952,13 3.406,14 4.3,15 4.439,16 3.803,17 3.797,18 5.467,19 3.77,20 4.506,21 4.668,22 3.77,23 3.9,24 5.57,25 3.838,26 4.526,27 4.736,28 3.651,29 3.847,30 5.514,31 3.753,32 4.445,33 4.665,34 3.577,35 3.745,36 5.47,37 3.656,38 4.367,39 4.588,40 3.413,41 3.645,42 5.359,43 3.541,44 4.181,45 4.417,46 3.189,47 3.454,48 5.07,49 3.335,50 4.011,51 4.213,52 3.148,53 3.289,54 5.061,55 3.202,56 0.003,57 0.525,58 6.91,59 3.511,60 4.752,61 4.254,62 0.187,63 0.883,64 13.037,65 5.735,66 20.368,67 7.12,68 0.196,69 1.039,70 17.521,71 7.409,72 29.491,73 8.875,74 0.142,75 1.105,76 18.879,77 7.716,78 22.816,79 10.145,80 0.137,81 1.01,82 18.009,83 7.245,84 27.495,85 9.63,86 0.231,87 0.931,88 16.9,89 6.562,90 27.982,91 8.569,92 0.09,93 0.759,94 14.144,95 5.84,96 16.469,97 7.946,98 0.199,99 0.607,100 11.806,101 4.84,102 22.313,103 6.234,104 7,105 38,106 0.253,107 0.555,108 0.706,109 0.824,110 0.833,111 0.85,112 3.228,113 0.867,114 -5.13,115 -5.03,116 -4.71,120 50,121 1,126 1,143 10,144 3,145 1,147 1,153 1,159 1,161 1,174 12,176 2,177 7,185 14,189 8,197 10,201 10,209 5,214 8,222 6,226 1,227 5,235 9,247 10,251 2,252 2,260 9,264 2,271 6,274 804,275 16.394,276 16.394,277 16.394,278 16.394,279 16.394,280 13.791,281 13.48,282 9.716,283 16.649,284 13.386,285 13.386,286 13.386,287 13.386,288 13.386,289 9.487,290 18.721,291 4.682,292 13.809,293 3.861,294 2.122,295 1.249,296 0.569,297 0.519,298 0.419,299 3.931,305 1,306 1,307 1,308 572,309 2.915,312 42.651,313 174.252,316 74.264,317 87.984,320 1.708,321 15.521,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 51,333 259,334 4.633,335 3.655,336 6.603,337 4.125,338 3.159,339 4.66,340 2.443,341 10.591,342 3.062,343 4.175,344 3.208,345 6.064,346 3.718,347 2.743,348 3.947,349 0.522,350 8.781,351 2.671,352 4.038,353 2.858,354 5.55,355 3.59,356 2.629,357 3.641,358 0.286,359 7.545,360 2.527,361 3.641,362 2.672,363 5.3,364 3.279,365 2.311,366 2.932,368 6.785,369 2.212,370 3.379,371 2.423,372 4.982,373 2.914,374 1.931,375 2.742,377 5.693,378 1.886,379 3.243,380 1.9,381 4.519,382 2.784,383 1.792,384 2.457,386 4.598,387 1.769,388 3.017,389 1.599,390 4.383,391 2.526,392 1.551,393 2.252,395 4.345,396 1.509,397 2.868,398 1.401,399 3.908,400 2.374,401 1.386,402 2.04,404 3.071,405 1.366,406 2.615,407 1.116,408 3.617,409 2.064,410 1.115,411 1.672,413 2.851,414 1.056,415 2.5,416 1,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 1.944,425 0.905,426 3.14,427 1.478,428 0.515,429 0.715,431 1.269,432 0.494,433 1.479,434 0.557,435 2.864,436 1.113,437 0.156,438 0.198,440 0.387,441 0.148,442 1.057,443 0.288,444 2.66,445 0.643,446 -0.305,447 -0.383,449 -0.816,450 -0.286,451 1.001,452 -0.047,453 2.448,454 0.5,455 -0.49,456 -0.732,458 -1.366,459 -0.484,460 0.751,461 -0.458,462 2,463 0.296,464 -0.678,465 -0.903,467 -1.745,468 -0.655,469 11.467,470 0.478,471 0.571,472 0.024,473 35.5,474 1.479,475 20,476 0.833,477 15.5,478 0.646,479 15.027,480 0.626,481 23.933,482 0.598,483 24.021,484 1.001,485 7.158,486 0.298,487 4.529,488 0.189,489 0.073,491 0.34,496 0.715,497 1.177,498 0.697,499 0.985,500 0.583,501 0.864,502 0.715,503 0.976,504 0.798,505 0.904,506 0.483,507 0.86,508 1.324,509 1.078,510 1.137,511 1.01,512 1.105,513 1.046,514 0.811,515 1.119,516 1.057,517 1.07,518 0.6,519 1.085,520 0.792,521 1.061,522 0.936,523 0.977,524 0.889,525 0.971,526 0.959,527 0.944,528 1.117,529 0.951,530 0.973,531 1.031,532 0.611,533 0.973,534 0.961,535 1.04,536 0.516,537 1.042,538 0.926,539 0.886,540 0.97,541 0.977,542 1.08,543 0.994,544 5,545 0.127,546 2.222,547 1.292,548 1.444,549 0.591,550 0.393,551 0.235,552 0.154,553 0.117,554 6966,555 18851,556 2.161,557 40,559 12,561 1,563 3,567 1.664,568 2.057,569 3.395,570 -0.823,572 1,574 1,575 58.439,576 1.461,577 3.2,578 4.073,579 4.753,580 4.803,581 4.903,582 2.892,583 4.168,584 4.553,585 3.548,586 979.182,587 7.834,588 11516.5,590 1,591 1,592 1,593 212.877,594 1.281,595 4.532,596 0.185,597 0.009,598 0.058,599 0.036,600 0.047,601 0.02,602 0.016,603 0.012,604 0.009,605 0.007,606 0.4,607 0.33,608 1,609 0.872,610 114.87,611 -0.003,612 -0.159,613 0.065,614 -0.061,615 -0.053,616 -0.003,617 0.189,618 0.07,619 0.056,620 0.02,621 0.165,622 0.022,623 -0.222,624 -0.094,625 -0.219,626 -0.057,627 -0.188,628 -0.128,629 -0.072,630 -0.108,631 -0.108,632 -0.11,633 -0.005,634 -0.112,635 -0.03,636 -0.062,637 0.041,638 -0.005,639 0.01,640 0.023,641 -0.062,642 0.067,643 -0.128,644 0.015,645 -0.126,646 -0.051,647 0.023,648 -0.012,649 0.029,650 -0.042,651 0.014,652 -0.007,653 0.189,654 0.045,655 0.038,656 0.02,657 -0.01,658 0.001,659 1.977,660 3.973,661 0.792,662 21.917,663 1.001,664 1.108,665 3.901,666 15.22,667 0.706,668 3.332,669 3.664,670 3.932,671 4.234,672 4.489,673 4.575,674 4.771,675 4.92,676 4.984,677 5.024,678 6.25,679 0.679,680 316.38,681 3.332,682 4.875,683 5.727,684 6.611,685 7.483,686 8.372,687 9.254,688 10.147,689 11.035,690 11.931,691 5,699 1,701 1,708 4,709 11,710 1,714 2,715 1,716 21,738 40,739 22,740 3,741 27,743 43,744 20,745 17,746 6,747 10,752 4,753 7,759 1,768 18,769 2,772 1,778 1,782 1,786 1,789 16,790 3,792 4,794 1,797 2,803 0.5,804 2,822 1,823 3,826 1,827 1,841 1,855 2,859 1,862 24,869 1,872 1,886 5,889 1,891 1,893 11.667,894 7.65,895 5.167,896 2.347,898 4.399,899 1.579,900 1.033,901 3.696,902 12.003,903 3.676,904 4.353,905 4.99,906 5.668,907 6.297,908 6.707,909 7.243,910 7.748,911 8.112,912 8.412,913 1,914 36,915 8.819,917 3.748,918 7.694,919 16.921,921 13.959,924 2.194,925 52.667,928 1,929 188.338,930 139.367,931 18.685,933 36.145,936 139.367,937 224.482,938 18.685,939 8.825,940 2.106,941 94.762,942 69.511,943 28.618,944 2.144,945 176.567,947 188.338,948 158.051,949 36.145,952 188.338,953 36.145,956 23.593,957 117.673,958 16.786,960 188.338,961 54.829,962 139.367,965 188.338,966 27.16,967 114.105,969 52.93,970 188.338,971 54.829,972 139.367,973 0.582,974 0.326,975 0.183,976 0.103,977 20,978 8,979 0.093,980 4,981 2,982 1.211,983 3.73,984 198.204,985 0.211,986 19,987 106.039,993 14.766,994 6.007,995 3.01,996 4.501,997 52.93,998 21.992,999 4.515,1003 1.686,1004 2.128,1006 382.534,1007 38.5,1013 10.973,1017 -0.31,1020 40.043,1021 44.322,1022 0.275,1023 0.601,1024 0.765,1025 0.893,1026 0.903,1027 0.921,1028 4.892,1029 1.386,1030 5.707,1031 4.345,1032 4.344,1033 5.04,1034 2.45,1035 6.506,1036 4.284,1037 6.124,1038 1.115,1039 7.251,1040 3.071,1041 3.892,1042 4.902,1043 2.243,1044 7.345,1045 3.801,1046 7.443,1047 1,1048 8.89,1049 2.851,1050 5.922,1051 7.351,1052 3.844,1053 10.445,1054 5.797,1055 8.798,1056 0.515,1057 10.587,1058 2.275,1059 6.275,1060 8.055,1061 4.269,1062 12.128,1063 6.111,1064 10.183,1065 0.156,1066 12.322,1067 1.269,1068 7.775,1069 9.967,1070 5.486,1071 14.733,1072 7.588,1073 11.592,1074 -0.305,1075 14.084,1076 0.387,1077 8.52,1078 11.088,1079 6.158,1080 16.784,1081 8.291,1082 13.019,1083 -0.49,1084 15.866,1085 -0.816,1086 9.795,1087 12.771,1088 7.208,1089 19.216,1090 9.546,1091 3.159,1092 -0.678,1093 17.665,1094 -1.366,1095 10.736,1096 14.1,1097 7.992,1098 21.433,1099 10.446,1100 2.743,1101 10.591,1102 19.475,1103 -1.745,1104 11.916,1105 15.685,1106 8.963,1107 23.805,1108 11.604,1109 2.629,1110 8.781,1111 21.297,1112 4.66,1113 12.954,1114 17.117,1115 9.802,1116 26.095,1117 12.604,1118 2.311,1119 7.545,1120 23.127,1121 3.947,1122 14.098,1123 18.663,1124 10.734,1125 28.449,1126 13.723,1127 1.931,1128 6.785,1129 24.964,1130 3.641,1131 15.184,1132 20.145,1133 11.599,1134 30.773,1135 14.774,1136 1.792,1137 5.693,1138 26.808,1139 2.932,1140 16.317,1141 21.678,1142 12.512,1143 33.124,1144 15.88,1145 1.551,1146 4.598,1147 28.656,1148 2.742,1149 17.428,1150 23.185,1151 13.391,1152 35.464,1153 16.958,1154 6569,1155 10903,1156 18.493,1157 28.25,1158 40.844,1159 41.499,1160 41.134,1161 40.553,1162 40.575,1163 57.51,1164 6.501,1165 116.379,1166 39.398,1167 5.42,1168 5.655,1169 6.287,1170 5.173,1171 5.159,1172 7.66,1173 4.174,1174 17.467,1175 5.062,1176 9.288,1177 1.513,1178 1.537,1179 1.523,1180 1.502,1181 1.503,1182 2.13,1183 0.241,1184 4.31,1185 1.459,1186 4.188,1187 4.221,1188 4.155,1189 4.109,1190 7.434,1191 4.115,1192 3.92,1193 3.943,1194 3.862,1195 3.85,1196 5.07,1197 3.849,1198 3.743,1199 3.785,1200 3.689,1201 3.611,1202 4.804,1203 3.626,1204 3.497,1205 3.522,1206 3.408,1207 3.26,1208 4.674,1209 3.287,1210 3.189,1211 3.247,1212 3.074,1213 3.059,1214 4.21,1215 3.056,1216 3.055,1217 3.107,1218 2.951,1219 2.961,1220 3.952,1221 2.951,1222 2.936,1223 2.995,1224 2.818,1225 2.799,1226 3.904,1227 2.798,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.681,1233 2.715,1234 0.172,1235 0.135,1236 0.245,1237 0.153,1238 0.117,1239 4.633,1240 0.173,1241 3.655,1242 0.09,1243 6.603,1244 0.392,1245 4.125,1246 0.113,1247 3.159,1248 4.66,1249 2.443,1250 10.591,1251 3.062,1252 2.085,1253 2.066,1254 2.158,1255 2.147,1256 1.318,1257 2.152,1258 1.908,1259 1.884,1260 2.02,1261 2.009,1262 1.161,1263 2.012,1264 1.555,1265 1.514,1266 1.705,1267 1.755,1268 0.82,1269 1.734,1270 1.433,1271 1.392,1272 1.661,1273 1.642,1274 0.694,1275 1.647,1276 1.377,1277 1.32,1278 1.554,1279 1.589,1280 0.627,1281 1.584,1282 1.047,1283 0.997,1284 1.28,1285 1.2,1286 0.376,1287 1.23,1288 0.905,1289 0.845,1290 1.181,1291 1.103,1292 0.218,1293 1.125,1294 0.886,1295 0.821,1296 1.148,1297 1.062,1298 0.185,1299 1.107,1300 4.007,1302 5.333,1303 2.398,1304 6.849,1305 4.727,1306 8.456,1307 6.823,1308 10.113,1310 1.399,1315 0.717,1318 5.065,1326 27.16,1327 58.439,1328 127.994,1329 162.903,1330 190.122,1331 192.122,1332 196.122,1333 27.747,1334 7.604,1335 44.12,1336 44.12,1337 23,1338 12.457,1339 4.524,1340 3.644,1341 34.077,1342 89,1343 92,1344 0.188,1345 165.351,1346 274.7,1347 395.216,1348 21180,1350 16.518,1351 0.688,1352 0.553,1353 16.518,1354 13.269,1355 11.687,1356 0.433,1357 0.289,1358 7.715,1359 11.317,1360 7.501,1361 6.226,1362 11.687,1363 7.799,1364 10.789,1365 0.284,1366 0.153,1367 10.789,1368 5.798,1369 8.773,1370 0.175,1371 0.081,1372 8.773,1373 4.026,1374 7.653,1375 0.113,1376 0.043,1377 7.653,1378 2.895,1379 6.414,1380 0.073,1381 0.023,1382 6.414,1383 2.041,1384 0.297,1385 72.543,1386 0.233,1387 23.6,1388 0.507,1389 130,1390 368.761,1391 140.723,1392 359.611,1393 500.06,1394 338,1395 153,1396 377.543,1397 162.841,1398 383.152,1399 558.03,1400 361,1401 4.353}
{0 CHEMBL1526966,1 1.451,2 6.476,3 4.973,4 24.73,5 87.109,6 8.049,7 0.696,8 3.692,9 3.797,10 3.337,11 3.355,12 4.781,13 3.307,14 4.209,15 4.362,16 3.671,17 3.736,18 5.247,19 3.669,20 4.422,21 4.607,22 3.836,23 3.856,24 5.516,25 3.791,26 4.457,27 4.618,28 3.885,29 3.942,30 5.518,31 3.868,32 4.598,33 4.764,34 3.97,35 4.034,36 5.713,37 3.934,38 4.713,39 4.914,40 3.838,41 4.012,42 5.83,43 3.854,44 4.658,45 4.938,46 3.353,47 3.725,48 5.602,49 3.464,50 4.061,51 4.408,52 2.238,53 2.943,54 4.765,55 2.577,56 0.01,57 0.455,58 6.513,59 3.301,60 4.464,61 4.353,62 0.076,63 0.767,64 14.425,65 5.739,66 11.866,67 7.528,68 0.214,69 0.956,70 18.08,71 7.081,72 30.772,73 9.229,74 0.128,75 0.995,76 16.566,77 7.253,78 10.172,79 9.598,80 0.147,81 1.099,82 20.808,83 8.661,84 21.733,85 11.238,86 0.196,87 1.169,88 27.109,89 10.68,90 51.087,91 13.612,92 0.309,93 1.068,94 35.406,95 11.245,96 62.011,97 14.635,98 0.199,99 0.58,100 23.701,101 6.7,102 32.83,103 9.069,104 15,105 32,106 0.26,107 0.552,108 0.686,109 0.805,110 0.852,111 0.852,112 3.106,113 0.987,114 -5.34,115 -5.23,116 -4.88,120 48.6,121 1,126 2,143 9,144 3,153 2,158 1,174 11,177 6,185 12,189 6,197 11,200 1,201 5,209 12,214 6,222 15,227 4,235 16,240 1,247 11,260 3,274 538,275 14.621,276 14.621,277 14.621,278 14.621,279 14.621,280 12.663,281 8.241,282 8.677,283 14.781,284 11.231,285 11.231,286 11.231,287 11.231,288 11.231,289 8.168,290 4.696,291 3.904,292 11.483,293 3.758,294 2.127,295 1.376,296 0.713,297 0.453,298 0.453,299 3.784,300 1,306 1,307 1,308 287,309 2.828,312 39.607,313 104.746,316 77.313,320 0.93,321 15.057,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 43.833,333 136,334 4.826,335 3.728,336 7.228,337 4.399,338 3.423,339 4.778,340 1.641,341 12.833,342 3.346,343 3.994,344 3.222,345 6.073,346 3.572,347 2.577,348 3.598,350 8.616,351 2.565,352 3.81,353 2.576,354 5.992,355 3.45,356 2.458,357 3.177,359 8.182,360 2.424,361 3.425,362 2.127,363 5.107,364 2.963,365 1.99,366 2.825,368 5.675,369 1.929,370 3.054,371 1.924,372 4.543,373 2.6,374 1.613,375 2.224,377 4.139,378 1.577,379 2.902,380 1.819,381 3.765,382 2.419,383 1.422,384 2.085,386 3.074,387 1.415,388 2.602,389 1.444,390 3.628,391 2.143,392 1.159,393 1.644,395 2.705,396 1.138,397 2.5,398 1.203,399 3.533,400 2,401 1,402 1.5,404 2.145,405 1,406 2.289,407 1,408 3.247,409 1.882,410 0.909,411 1.203,413 2.136,414 0.87,415 1.565,416 0.986,417 3.08,418 1.318,419 0.403,420 0.454,422 0.638,423 0.335,424 1.454,425 0.419,426 2.515,427 0.902,428 0.115,429 0.144,431 0.163,432 0.075,433 0.919,434 -0.082,435 2.287,436 0.545,437 -0.455,438 -0.582,440 -1.024,441 -0.449,442 0.656,443 -0.445,444 2.205,445 0.206,446 -0.793,447 -1.098,449 -1.904,450 -0.784,451 0.622,452 -0.759,453 2.097,454 0.125,455 -0.87,456 -1.294,458 -2.074,459 -0.865,460 0.5,461 -0.87,462 2,464 -1,465 -1.471,467 -2.347,468 -1,469 10.448,470 0.498,471 0.398,472 0.019,473 28.25,474 1.345,475 15.5,476 0.738,477 12.75,478 0.607,479 15.699,480 0.748,481 21.352,482 0.577,483 19.425,484 0.925,485 5.567,486 0.265,487 4.707,488 0.224,489 0.148,491 0.325,496 0.555,497 1.125,498 0.603,499 0.886,500 0.533,501 0.862,502 0.853,503 1.074,504 0.898,505 0.95,506 0.681,507 0.904,508 0.852,509 0.916,510 0.613,511 0.767,512 0.861,513 0.762,514 0.75,515 1.096,516 0.695,517 0.943,518 0.728,519 0.952,520 0.959,521 1.145,522 0.889,523 1.105,524 0.962,525 1.117,526 1.286,527 1.164,528 1.097,529 1.175,530 1.513,531 1.224,532 1.359,533 0.903,534 1.441,535 1.093,536 1.408,537 1.105,538 1.067,539 0.623,540 1.588,541 0.98,542 0.818,543 0.916,544 2.5,546 2.222,547 2.424,548 1.793,549 0.827,550 0.37,551 0.17,552 0.03,554 3504,555 9794,556 2.074,557 43.2,559 13,564 3,567 1.646,568 1.938,569 2.698,570 -0.844,575 53.691,576 1.451,577 3.082,578 3.834,579 4.497,580 4.757,581 4.757,582 2.111,583 4.107,584 4.363,585 2.81,586 590.195,587 7.547,588 6151.11,590 1,593 192.75,594 1.418,595 4.322,596 0.109,598 0.069,599 0.067,600 0.047,601 0.022,602 0.013,603 0.013,604 0.01,606 0.351,607 0.83,608 1,609 1.142,610 90.948,611 0.006,612 -0.09,613 0.023,614 -0.013,615 -0.045,616 0.012,617 -0.065,618 -0.029,619 -0.074,620 -0.043,621 -0.062,622 -0.001,623 0.103,624 0.136,625 0.127,626 0.139,627 0.093,628 0.153,629 0.065,630 -0.046,631 -0.002,632 -0.054,633 0.038,634 -0.056,635 -0.004,636 -0.141,637 -0.062,638 -0.184,639 0.029,640 -0.203,641 -0.124,642 -0.242,643 -0.119,644 -0.193,645 -0.109,646 -0.255,647 -0.137,648 -0.021,649 -0.1,650 -0.015,651 -0.144,652 -0.038,653 -0.047,654 0.241,655 -0.022,656 0.168,657 -0.03,658 0.242,659 1.695,660 5.406,661 0.714,662 13.184,663 0.995,664 1.107,665 4.111,666 16.9,667 0.714,668 3.178,669 3.497,670 3.871,671 4.234,672 4.511,673 4.575,674 4.625,675 4.625,676 4.466,677 4.277,678 4.279,679 0.67,680 297.8,681 3.178,682 4.71,683 5.595,684 6.506,685 7.425,686 8.352,687 9.281,688 10.214,689 11.147,690 12.082,691 2.7,699 1,708 2,709 9,714 3,715 1,716 16,721 1,738 37,739 17,740 2,741 23,743 39,744 18,745 14,746 3,747 9,748 1,750 1,752 3,753 4,754 1,759 2,768 15,769 3,772 1,778 1,782 1,789 16,790 1,792 3,793 1,797 1,803 0.667,804 1,818 1,822 1,823 2,826 1,855 2,859 1,860 1,862 21,869 2,885 1,886 2.7,889 1,893 10.833,894 7.01,895 4.861,896 2.362,898 3.22,899 1.474,900 1.006,901 3.912,902 10.016,903 3.497,904 4.139,905 4.853,906 5.558,907 6.167,908 6.537,909 6.967,910 7.366,911 7.54,912 7.741,913 1,914 36,915 7.763,917 3.278,918 7.696,919 14.93,921 12.269,924 2.196,925 46.111,926 0.001,929 188.338,930 118.045,931 1.899,932 39.149,933 25.145,936 118.045,937 252.631,938 1.899,939 8.825,940 4.955,941 85.286,942 30.278,943 10.843,944 4.901,945 227.486,947 188.338,948 119.944,949 25.145,950 39.149,952 153.024,953 60.458,956 15.68,957 104.265,958 39.149,960 188.338,961 27.044,962 157.194,965 188.338,966 23.934,967 96.011,969 64.294,970 188.338,971 27.044,972 157.194,973 0.564,974 0.363,975 0.225,976 0.138,977 16,978 7,979 0.077,980 3,981 1,982 1.133,983 3.154,984 171.634,985 0.133,986 15,987 88.239,993 14.059,994 5.844,995 2.308,996 2.052,997 25.145,998 18.024,1003 2.739,1004 2.185,1006 372.575,1007 32,1013 12.406,1017 -0.029,1020 36.822,1021 40.973,1022 0.279,1023 0.592,1024 0.736,1025 0.863,1026 0.913,1027 0.913,1028 4.71,1029 1,1030 5.58,1031 2.705,1032 4.174,1033 4.824,1034 1.854,1035 6.479,1036 4.135,1037 5.935,1038 0.909,1039 7.185,1040 2.145,1041 3.761,1042 4.677,1044 7.597,1045 3.723,1046 7.265,1047 0.403,1048 8.903,1049 2.136,1050 5.82,1051 7.142,1052 2.741,1053 10.804,1054 5.745,1055 8.644,1056 0.115,1057 10.692,1058 0.638,1059 6.33,1060 7.923,1062 12.817,1063 6.236,1064 10.065,1065 -0.455,1066 12.526,1067 0.163,1068 7.834,1069 9.825,1070 3.69,1071 15.558,1072 7.719,1073 11.517,1074 -0.793,1075 14.391,1076 -1.024,1077 8.76,1078 11.04,1080 17.911,1081 8.617,1082 12.994,1083 -0.87,1084 16.277,1085 -1.904,1086 10.067,1087 12.726,1088 4.665,1089 20.515,1090 9.905,1091 3.423,1092 -1,1093 18.181,1094 -2.074,1095 11.172,1096 14.14,1098 22.995,1099 10.981,1100 2.577,1101 12.833,1102 20.097,1103 -2.347,1104 12.417,1105 15.744,1106 5.65,1107 25.56,1108 12.205,1109 2.458,1110 8.616,1111 22.023,1112 4.778,1113 13.595,1114 17.244,1116 28.086,1117 13.356,1118 1.99,1119 8.182,1120 23.958,1121 3.598,1122 14.823,1123 18.819,1124 6.638,1125 30.641,1126 14.561,1127 1.613,1128 5.675,1129 25.9,1130 3.177,1131 16.03,1132 20.355,1134 33.183,1135 15.743,1136 1.422,1137 4.139,1138 27.848,1139 2.825,1140 17.256,1141 21.921,1142 7.628,1143 35.735,1144 16.946,1145 1.159,1146 3.074,1147 29.801,1148 2.224,1149 18.476,1150 23.473,1152 38.284,1153 18.141,1154 3525,1155 5974,1156 15.315,1157 26.409,1158 34.236,1159 36.073,1160 36.741,1161 34.103,1162 34.136,1163 47.264,1164 3.282,1165 100.613,1166 33.346,1167 5.563,1168 5.728,1169 7.03,1170 5.399,1171 5.423,1172 7.778,1173 3.282,1174 20.404,1175 5.346,1176 9.362,1177 1.489,1178 1.568,1179 1.597,1180 1.483,1181 1.484,1182 2.055,1183 0.143,1184 4.374,1185 1.45,1186 4.176,1187 4.204,1188 4.156,1189 4.098,1190 7.427,1191 4.107,1192 3.839,1193 3.87,1194 3.774,1195 3.787,1196 4.924,1197 3.778,1198 3.533,1199 3.581,1200 3.756,1201 3.416,1202 4.706,1203 3.414,1204 3.491,1205 3.534,1206 3.373,1207 3.312,1208 4.653,1209 3.306,1210 3.151,1211 3.214,1212 3.153,1213 3.02,1214 4.24,1215 2.997,1216 2.884,1217 2.949,1218 2.834,1219 2.766,1220 3.9,1221 2.75,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.768,1229 2.823,1230 2.683,1231 2.679,1232 3.674,1233 2.665,1234 0.21,1235 0.162,1236 0.314,1237 0.191,1238 0.149,1239 4.826,1240 0.208,1241 3.728,1242 0.071,1243 7.228,1244 0.558,1245 4.399,1246 0.145,1247 3.423,1248 4.778,1249 1.641,1250 12.833,1251 3.346,1252 1.944,1253 1.925,1254 2.04,1255 2.042,1256 1.192,1257 2.043,1258 1.927,1259 1.897,1260 2.032,1261 1.999,1262 1.158,1263 2.011,1264 1.618,1265 1.576,1266 1.829,1267 1.787,1268 0.973,1269 1.802,1270 1.43,1271 1.377,1272 1.609,1273 1.618,1274 0.777,1275 1.633,1276 1.115,1277 1.059,1278 1.326,1279 1.303,1280 0.506,1281 1.327,1282 0.919,1283 0.866,1284 1.181,1285 1.079,1286 0.287,1287 1.108,1288 0.886,1289 0.821,1290 1.135,1291 1.062,1292 0.218,1293 1.107,1294 0.831,1295 0.774,1296 1.099,1297 0.989,1298 0.175,1299 1.03,1300 3.85,1302 5.165,1303 2.398,1304 6.711,1305 4.949,1306 8.361,1307 7.248,1308 10.07,1310 2.091,1311 5.84,1315 0.803,1326 24.778,1327 53.691,1328 114.04,1329 141.856,1330 166.385,1331 175.995,1332 175.995,1333 31.298,1334 6.796,1335 22,1336 22,1337 17,1338 12.581,1339 4.17,1340 3.322,1341 31.627,1342 52,1343 54,1344 0.309,1345 156.957,1346 264.06,1347 374.734,1348 6492,1349 2.7,1350 14.82,1351 0.706,1352 0.6,1353 15.32,1354 12.6,1355 10.274,1356 0.447,1357 0.329,1358 7.036,1359 9.792,1360 6.78,1361 5.628,1362 10.628,1363 7.568,1364 8.623,1365 0.269,1366 0.162,1367 8.827,1368 5.175,1369 7.825,1370 0.166,1371 0.085,1372 8.147,1373 3.977,1374 6.885,1375 0.101,1376 0.044,1377 7.021,1378 3.011,1379 6.023,1380 0.067,1381 0.025,1382 6.189,1383 2.226,1384 0.446,1385 66.65,1386 0.256,1387 19.905,1388 0.984,1389 110,1390 289.584,1391 126.467,1392 314.348,1393 426.39,1394 296,1395 134,1396 292.589,1397 147.946,1398 305.363,1399 454.85,1400 289,1401 5.113}
{0 CHEMBL1527674,1 1.928,2 10.333,3 2.656,4 7.054,5 89.915,6 10.366,7 0.462,8 3.7,9 3.754,10 3.697,11 3.362,12 4.942,13 3.339,14 4.174,15 4.244,16 3.991,17 3.708,18 5.693,19 3.688,20 4.407,21 4.518,22 4.051,23 3.784,24 5.869,25 3.752,26 4.392,27 4.526,28 3.894,29 3.592,30 5.905,31 3.571,32 4.177,33 4.324,34 3.776,35 3.384,36 5.699,37 3.366,38 3.968,39 4.118,40 3.611,41 3.261,42 5.306,43 3.222,44 3.922,45 4.032,46 3.575,47 3.193,48 5.714,49 3.182,50 3.772,51 3.889,52 3.468,53 3.202,54 5.173,55 3.171,56 0.161,57 0.495,58 4.706,59 3.253,60 21.918,61 2.707,62 0.418,63 0.748,64 7.215,65 4.994,66 54.13,67 4.406,68 0.551,69 0.911,70 15.858,71 7.191,72 59.001,73 6.518,74 0.791,75 0.896,76 18.864,77 7.145,78 93.477,79 5.7,80 0.671,81 0.737,82 14.008,83 5.348,84 82.038,85 4.331,86 0.404,87 0.612,88 12.105,89 4.77,90 58.095,91 3.89,92 0.647,93 0.528,94 10.834,95 4.023,96 98.411,97 3.527,98 0.244,99 0.485,100 7.44,101 3.783,102 23.744,103 3.575,104 17,105 37,106 0.345,107 0.615,108 0.751,109 0.853,110 0.867,111 0.867,112 3.228,113 0.997,114 -3.61,115 -3.58,116 -3.41,120 45.7,137 1,138 1,143 8,144 1,145 3,155 1,158 1,170 1,174 6,176 1,177 6,180 2,185 9,188 2,189 7,194 3,197 7,200 3,201 8,206 2,209 1,214 10,217 2,219 2,222 2,227 2,232 1,235 2,239 4,240 4,245 1,247 2,252 6,257 2,260 3,264 6,271 4,274 754,275 15.869,276 15.869,277 15.869,278 15.869,279 15.869,280 13.583,281 13.303,282 9.275,283 16.266,284 12.801,285 12.801,286 12.801,287 12.801,288 12.801,289 9.302,290 12.05,291 4.366,292 13.489,293 3.202,294 1.692,295 0.936,296 0.364,297 0.286,298 0.286,299 3.906,303 1,305 1,306 1,307 1,308 531,309 3.464,313 214.764,317 111.761,320 1.444,321 39.121,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.333,333 248,334 4.844,335 4.681,336 7.292,337 4.291,338 3.372,339 4.696,340 0.86,341 12.402,342 3.109,343 4.482,344 3.652,345 6.638,346 4.118,347 3.126,348 4.095,350 10.559,351 3.065,352 3.894,353 2.967,354 5.69,355 3.428,356 2.463,357 3.331,359 7.544,360 2.365,361 3.559,362 2.701,363 4.959,364 3.044,365 2.077,366 3.055,368 5.8,369 2.04,370 3.423,371 2.331,372 4.928,373 2.944,374 2.036,375 2.716,377 5.388,378 1.724,379 3.178,380 2.039,381 4.709,382 2.723,383 1.755,384 2.321,386 4.851,387 1.683,388 2.801,389 1.723,390 3.744,391 2.277,392 1.306,393 1.826,395 2.905,396 1.26,397 2.673,398 1.395,399 3.601,400 2.056,401 1.083,402 1.63,404 2.487,405 1.05,406 2.5,407 1.267,408 3.409,409 2,410 1,411 1.5,413 2.21,414 1,415 2.441,416 1,417 3.247,418 1.901,419 0.919,420 1.305,422 2.136,423 0.886,424 1.636,425 0.97,426 3.054,427 1.291,428 0.313,429 0.38,431 0.755,432 0.297,433 1.227,434 0.429,435 2.617,436 0.786,437 -0.107,438 -0.133,440 -0.254,441 -0.081,442 1,443 0.203,444 2.52,445 0.429,446 -0.498,447 -0.674,449 -1.201,450 -0.441,451 0.895,452 -0.138,453 2.463,454 0.228,455 -0.732,456 -1.027,458 -1.648,459 -0.659,460 0.733,461 -0.39,462 2.326,463 0.21,464 -0.772,465 -1.039,467 -2.2,468 -0.688,469 11.681,470 0.487,471 0.701,472 0.029,473 34.75,474 1.448,475 20,476 0.833,477 14.75,478 0.615,479 15.241,480 0.635,481 24.919,482 0.712,483 26.093,484 1.087,485 7.006,486 0.292,487 4.465,488 0.186,489 0.147,490 0.071,491 0.257,496 0.54,497 1.03,498 0.656,499 1.088,500 0.638,501 0.782,502 0.725,503 1.073,504 0.773,505 0.969,506 0.64,507 0.91,508 1.033,509 1.195,510 1.061,511 1.144,512 0.918,513 1.069,514 1.391,515 1.105,516 1.147,517 1.021,518 1.387,519 0.996,520 1.177,521 0.999,522 0.947,523 0.883,524 1.403,525 0.918,526 1.187,527 1.126,528 0.971,529 1.025,530 1.265,531 0.902,532 0.865,533 0.843,534 1.026,535 0.857,536 0.933,537 0.907,538 0.83,539 1.042,540 0.781,541 1.09,542 0.817,543 0.952,544 5.5,545 0.107,546 3.556,547 1.875,548 1.347,549 0.701,550 0.466,551 0.293,552 0.246,553 0.196,554 6566,555 25033,556 2.03,557 31.4,559 8,560 1,561 1,562 1,567 1.665,568 1.882,569 3.341,570 -0.219,572 1,575 67.471,576 1.928,577 3.437,578 4.193,579 4.765,580 4.844,581 4.844,582 2.709,583 3.887,584 4.561,585 3.495,586 964.654,587 7.849,588 11529.6,589 1,590 1,591 1,592 1,593 179.525,594 1.601,595 4.498,596 0.212,597 0.006,598 0.096,599 0.049,600 0.043,601 0.028,602 0.022,603 0.013,604 0.012,605 0.01,606 0.492,607 0.33,608 1,609 0.622,610 114.986,611 0.073,612 0.044,613 0.127,614 -0.091,615 -0.128,616 0.026,617 0.094,618 -0.049,619 -0.042,620 -0.067,621 0.124,622 -0.101,623 -0.09,624 -0.21,625 -0.121,626 -0.172,627 -0.005,628 -0.141,629 -0.184,630 -0.082,631 -0.161,632 -0.014,633 -0.138,634 -0.044,635 -0.036,636 0.058,637 0.028,638 0.063,639 -0.142,640 0.028,641 -0.198,642 -0.07,643 0.065,644 0.022,645 -0.22,646 0.098,647 0.375,648 0.153,649 -0.046,650 0.074,651 0.38,652 -0.006,653 -0.002,654 -0.051,655 0.063,656 -0.104,657 0.033,658 0.002,659 4.711,660 5.319,661 0.667,662 18.535,663 1.038,664 1.108,665 2.376,666 5.644,667 0.747,668 3.296,669 3.638,670 3.871,671 4.06,672 4.263,673 4.22,674 4.263,675 4.263,676 4.357,677 4.277,678 6.182,679 0.73,680 362.81,681 3.296,682 4.844,683 5.687,684 6.567,685 7.427,686 8.308,687 9.175,688 10.056,689 10.926,690 11.807,691 5.7,693 1,700 1,709 8,714 4,716 12,721 1,735 1,737 1,738 35,739 17,740 2,741 26,743 37,744 16,745 12,746 4,747 8,748 4,752 3,753 4,754 1,768 16,772 5,776 1,778 3,780 2,781 1,782 2,785 1,786 1,789 11,790 6,791 1,792 8,793 2,797 2,803 0.667,804 4,823 3,827 1,846 1,855 2,857 1,860 1,862 24,866 1,871 1,872 1,885 1,886 11.4,889 3,891 1,893 12.75,894 6.26,895 5.208,896 1.84,898 3.132,899 1.452,900 0.999,901 4.603,902 10.057,903 3.638,904 4.263,905 4.771,906 5.265,907 5.743,908 5.876,909 6.188,910 6.315,911 6.676,912 6.779,913 0.857,914 38,915 9.091,917 4.207,918 8.209,919 16.135,921 13.181,924 2.709,925 65.028,929 117.711,930 123.998,931 32.945,932 39.149,933 80.458,935 5.807,936 118.191,937 237.317,938 32.945,940 11.534,941 97.9,942 95.41,943 44.329,944 11.771,945 94.169,946 39.149,947 117.711,948 151.136,949 80.458,950 44.956,952 117.711,953 80.458,956 32.945,957 109.143,958 54.004,960 117.711,961 113.403,962 163.147,964 5.807,965 117.711,966 21.799,967 96.392,968 16.282,969 136.269,970 117.711,971 113.403,972 163.147,973 0.59,974 0.343,975 0.173,976 0.094,977 18,978 8,979 0.108,980 4,981 1,982 1.125,983 3.602,984 189.844,985 0.125,986 16,987 104.039,992 1,993 16.555,994 6.673,995 3.633,997 113.403,998 12.434,1003 1.136,1005 16.282,1006 394.261,1007 37,1011 -3.794,1013 36.36,1015 2.297,1016 3.624,1017 -0.262,1020 36.331,1021 38.774,1022 0.376,1023 0.67,1024 0.818,1025 0.929,1026 0.944,1027 0.944,1028 4.875,1029 1.083,1030 5.714,1031 2.905,1032 4.317,1033 4.949,1034 0.908,1035 6.569,1036 4.221,1037 6.13,1038 1,1039 7.315,1040 2.487,1041 4.111,1042 5.017,1044 7.823,1045 3.916,1046 7.487,1047 0.919,1048 9.036,1049 2.21,1050 6.009,1051 7.264,1052 0.739,1053 10.844,1054 5.812,1055 8.888,1056 0.313,1057 10.831,1058 2.136,1059 6.621,1060 8.157,1062 12.912,1063 6.33,1064 10.326,1065 -0.107,1066 12.675,1067 0.755,1068 8.052,1069 9.934,1070 0.593,1071 15.55,1072 7.743,1073 11.791,1074 -0.498,1075 14.551,1076 -0.254,1077 9.009,1078 11.182,1080 17.894,1081 8.613,1082 13.276,1083 -0.732,1084 16.45,1085 -1.201,1086 10.279,1087 12.795,1088 0.469,1089 20.428,1090 9.848,1091 3.372,1092 -0.772,1093 18.366,1094 -1.648,1095 11.378,1096 14.199,1098 22.869,1099 10.867,1100 3.126,1101 12.402,1102 20.294,1103 -2.2,1104 12.594,1105 15.755,1106 0.366,1107 25.375,1108 12.034,1109 2.463,1110 10.559,1111 22.232,1112 4.696,1113 13.75,1114 17.229,1116 27.853,1117 13.115,1118 2.077,1119 7.544,1120 24.178,1121 4.095,1122 14.951,1123 18.766,1124 0.283,1125 30.355,1126 14.257,1127 2.036,1128 5.8,1129 26.129,1130 3.331,1131 16.13,1132 20.272,1134 32.849,1135 15.365,1136 1.755,1137 5.388,1138 28.086,1139 3.055,1140 17.327,1141 21.805,1142 0.217,1143 35.352,1144 16.497,1145 1.306,1146 4.851,1147 30.046,1148 2.716,1149 18.518,1150 23.326,1152 37.854,1153 17.616,1154 6365,1155 12590,1156 16.989,1157 26.142,1158 39.555,1159 41.514,1160 39.925,1161 39.161,1162 38.898,1163 53.711,1164 1.72,1165 114.072,1166 36.959,1167 5.69,1168 6.681,1169 7.094,1170 5.378,1171 5.372,1172 7.696,1173 1.72,1174 19.604,1175 5.109,1176 12.064,1177 1.521,1178 1.597,1179 1.536,1180 1.506,1181 1.496,1182 2.066,1183 0.066,1184 4.387,1185 1.421,1186 4.071,1187 4.054,1188 4.734,1189 4.052,1190 7.717,1191 3.969,1192 3.976,1193 3.975,1194 4.043,1195 3.906,1196 7.427,1197 3.905,1198 3.657,1199 3.683,1200 3.686,1201 3.554,1202 6.999,1203 3.519,1204 3.533,1205 3.527,1206 3.66,1207 3.452,1208 4.98,1209 3.418,1210 3.052,1211 3.088,1212 3.244,1213 2.847,1214 4.761,1215 2.865,1216 2.971,1217 2.988,1218 2.965,1219 2.803,1220 4.709,1221 2.806,1222 2.854,1223 2.925,1224 2.768,1225 2.735,1226 4.55,1227 2.715,1228 2.68,1229 2.727,1230 2.687,1231 2.534,1232 4.024,1233 2.532,1234 0.186,1235 0.18,1236 0.28,1237 0.165,1238 0.13,1239 4.844,1240 0.181,1241 4.681,1242 0.033,1243 7.292,1244 0.477,1245 4.291,1246 0.12,1247 3.372,1248 4.696,1249 0.86,1250 12.402,1251 3.109,1252 1.955,1253 1.96,1254 1.996,1255 2.041,1256 1.151,1257 2.064,1258 1.928,1259 1.922,1260 1.985,1261 2.007,1262 1.105,1263 2.013,1264 1.566,1265 1.545,1266 1.646,1267 1.733,1268 0.703,1269 1.738,1270 1.413,1271 1.439,1272 1.243,1273 1.556,1274 0.565,1275 1.581,1276 0.948,1277 0.91,1278 1.181,1279 1.18,1280 0.218,1281 1.164,1282 0.886,1283 0.854,1284 1.139,1285 1.115,1286 0.199,1287 1.107,1288 0.886,1289 0.821,1290 1.057,1291 1.062,1292 0.057,1293 1.107,1294 0.649,1295 0.597,1296 0.827,1297 0.839,1299 0.869,1300 3.97,1302 5.303,1304 6.841,1306 8.468,1308 10.141,1311 5.869,1317 2.045,1318 5.319,1326 25.551,1327 67.471,1328 120.306,1329 146.77,1330 166.77,1331 169.525,1332 169.525,1333 55.492,1334 6.926,1335 88.74,1336 97.12,1337 18,1338 12.344,1339 4.17,1340 3.585,1341 39.476,1342 91,1343 78,1344 0.215,1345 164.759,1346 293.6,1347 393.771,1348 9163,1349 2.9,1350 17.156,1351 0.715,1352 0.571,1353 17.906,1354 13.712,1355 11.471,1356 0.441,1357 0.332,1358 6.84,1359 9.96,1360 6.564,1361 5.432,1362 12.581,1363 8.644,1364 10.754,1365 0.291,1366 0.187,1367 12.486,1368 6.924,1369 8.744,1370 0.186,1371 0.099,1372 10.113,1373 4.665,1374 6.846,1375 0.12,1376 0.053,1377 7.939,1378 3.01,1379 5.489,1380 0.078,1381 0.029,1382 6.489,1383 2.002,1384 0.34,1385 83.626,1386 0.243,1387 23.598,1388 0.577,1389 126,1390 469.984,1391 191.685,1392 498.975,1393 652.91,1394 456,1395 147,1396 420.812,1397 214.155,1398 470.004,1399 679.93,1400 438,1401 4.352}
{0 CHEMBL1527691,1 1.476,2 7.176,3 3.77,4 14.213,5 69.668,6 11.12,7 0.579,8 3.389,9 3.451,10 3.311,11 3.115,12 4.557,13 3.082,14 3.875,15 3.962,16 3.8,17 3.49,18 5.061,19 3.453,20 4.043,21 4.184,22 3.687,23 3.516,24 5.193,25 3.423,26 3.986,27 4.159,28 3.375,29 3.323,30 5.153,31 3.228,32 3.802,33 3.957,34 3.298,35 3.122,36 5.074,37 3.05,38 3.629,39 3.796,40 3.37,41 3.036,42 4.799,43 2.94,44 3.421,45 3.561,46 3.526,47 2.869,48 4.647,49 2.744,50 3.046,51 3.219,52 2.964,53 2.558,54 4.007,55 2.373,56 0.022,57 0.252,58 1.158,59 2.02,60 3.592,61 2.349,62 0.093,63 0.428,64 4.842,65 3.687,66 8.124,67 4.071,68 0.14,69 0.547,70 11.265,71 5.135,72 16.79,73 5.629,74 0.173,75 0.545,76 13.162,77 5.113,78 30.248,79 5.623,80 0.258,81 0.445,82 12.141,83 4.259,84 30.083,85 4.379,86 0.104,87 0.374,88 6.822,89 3.56,90 17.884,91 3.981,92 0.176,93 0.274,94 17.27,95 3.651,96 18.278,97 3.177,98 0.066,99 0.201,100 3.595,101 2.093,102 5.968,103 2.29,104 5,105 27,106 0.287,107 0.635,108 0.767,109 0.883,110 0.898,111 0.898,112 2.909,113 0.966,114 -4.19,115 -4.13,116 -3.91,119 1,120 53.8,122 1,136 1,137 1,143 6,144 2,153 1,154 1,158 1,174 10,177 6,185 13,189 5,197 12,201 3,209 8,213 1,214 4,222 6,227 3,235 5,240 3,247 6,260 4,271 2,274 294,275 11.516,276 11.516,277 11.516,278 11.516,279 11.516,280 9.882,281 8.923,282 6.758,283 11.656,284 9.389,285 9.389,286 9.389,287 9.389,288 9.389,289 6.884,290 10.561,291 3.239,292 9.656,293 3.224,294 1.429,295 0.75,296 0.154,297 0.077,298 0.077,299 3.583,306 1,307 1,308 267,309 2,312 72.238,313 41.792,316 61.62,320 1.031,321 14.922,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 35.75,333 122,334 4.51,335 3.7,336 6.686,337 4.186,338 3.173,339 4.093,340 0.68,341 10.755,342 3.214,343 4.107,344 2.967,345 5.677,346 3.655,347 2.694,348 3.742,350 7.824,351 2.586,352 3.656,353 2.683,354 5.392,355 3.181,356 2.197,357 3.047,359 6.675,360 2.155,361 3.195,362 2.35,363 4.838,364 2.78,365 1.814,366 2.381,368 5.198,369 1.737,370 2.961,371 1.946,372 4.557,373 2.579,374 1.623,375 2.106,377 4.628,378 1.457,379 2.81,380 1.422,381 3.627,382 2.333,383 1.342,384 1.92,386 2.96,387 1.291,388 2.383,389 1.307,390 3.436,391 1.815,392 0.788,393 1.181,395 1.891,396 0.794,397 2.194,398 0.788,399 3.271,400 1.703,401 0.708,402 1.034,404 1.699,405 0.69,406 1.374,407 0.349,408 2.869,409 0.966,410 -0.035,411 -0.047,413 -0.095,414 -0.033,415 0.831,416 0.034,417 2.277,418 0.425,419 -0.579,420 -0.743,422 -1.403,423 -0.355,424 0.603,425 -0.36,426 2,427 0.166,428 -0.803,429 -1.039,431 -1.947,432 -0.683,433 0.434,434 -0.777,435 1.917,436 -0.11,437 -0.887,438 -1.167,440 -2.207,441 -0.847,442 0.181,443 -0.956,444 1.603,445 -0.222,446 -1.178,447 -1.575,449 -3.271,450 -1.184,451 0.006,452 -1.308,453 1.424,454 -0.469,455 -1.492,456 -2.125,458 -4.167,459 -1.534,460 -0.333,461 -1.488,462 1.262,463 -0.719,464 -1.724,465 -2.208,467 -4.749,468 -1.647,469 9,470 0.529,471 0.435,472 0.026,473 23.25,474 1.368,475 13,476 0.765,477 10.25,478 0.603,479 11.543,480 0.679,481 16.2,482 0.623,483 12.872,484 0.757,485 4.519,486 0.266,487 3.718,488 0.219,489 0.185,491 0.333,496 0.629,497 0.869,498 0.449,499 0.675,500 0.537,501 0.707,502 0.653,503 1.037,504 0.521,505 0.888,506 0.577,507 0.874,508 0.986,509 1.088,510 0.76,511 0.958,512 0.939,513 1.053,514 1.143,515 1.072,516 0.609,517 0.916,518 1.612,519 1.044,520 1.272,521 0.943,522 0.709,523 0.86,524 1.36,525 0.941,526 1.068,527 1.015,528 0.695,529 0.822,530 1.336,531 0.896,532 1.444,533 0.855,534 2.144,535 1.388,536 1.031,537 1.046,538 0.9,539 1.016,540 1.191,541 0.952,542 0.384,543 1.139,544 3.5,546 1.778,547 1.833,548 0.502,549 0.494,550 0.204,551 0.142,552 0.049,553 0.025,554 2431,555 8037,556 2.127,557 34.6,558 2,559 7,567 1.569,568 2,569 2.878,570 -0.807,574 1,575 38.379,576 1.476,577 3.271,578 3.95,579 4.547,580 4.624,581 4.624,582 2.257,583 3.69,584 4.061,585 2.962,586 402.835,587 6.861,588 3574.62,589 1,590 1,592 1,593 122.211,594 1.379,595 4.023,596 0.184,598 0.066,599 0.08,600 0.028,601 0.031,602 0.015,603 0.013,604 0.008,605 0.012,606 0.437,607 1,608 1,609 0.604,610 69.66,611 -0.012,612 -0.009,613 0.001,614 -0.006,615 -0.046,616 0.018,617 0.109,618 -0.148,619 0.037,620 -0.15,621 0.027,622 -0.087,623 -0.102,624 -0.138,625 -0.041,626 -0.091,627 -0.034,628 -0.137,629 -0.122,630 -0.07,631 -0.025,632 -0.045,633 -0.161,634 -0.069,635 0.061,636 0.073,637 -0.033,638 0.048,639 0.028,640 0.012,641 -0.055,642 -0.021,643 0.068,644 0.108,645 -0.077,646 0.096,647 -0.077,648 0.114,649 -0.119,650 -0.052,651 -0.02,652 0.025,653 -0.141,654 -0.05,655 0.032,656 0.124,657 -0.067,658 -0.084,659 1.562,660 5.086,661 0.824,662 9.772,663 1.012,664 1.09,665 2.959,666 8.758,667 0.772,668 2.996,669 3.332,670 3.611,671 3.892,672 3.989,673 3.989,674 4.127,675 4.19,676 4.06,677 3.97,678 4.382,679 0.734,680 289.13,681 2.996,682 4.533,683 5.389,684 6.275,685 7.149,686 8.039,687 8.921,688 9.813,689 10.699,690 11.592,709 6,712 1,714 4,716 11,721 1,737 1,738 26,739 13,740 1,741 19,742 1,743 28,744 14,745 10,746 2,747 4,748 3,752 3,753 4,763 1,766 1,768 13,769 1,772 2,778 1,780 1,782 2,786 1,788 1,789 9,790 2,792 3,793 1,803 0.667,804 2,822 2,823 1,826 1,845 1,846 1,855 2,858 1,862 17,869 1,885 1,886 7.7,889 1,891 1,893 8.5,894 4.81,895 3.667,896 1.543,898 2.68,899 1.42,900 1.033,901 2.578,902 9.062,903 3.314,904 3.927,905 4.518,906 5.075,907 5.457,908 5.681,909 6.092,910 6.448,911 6.667,912 6.954,913 0.8,914 23,915 6.271,917 2.711,918 7.779,919 11.929,921 9.939,924 2.279,925 38.75,926 0.002,929 105.94,930 94.326,931 45.954,933 34.652,936 140.28,937 140.592,940 2.535,941 66.334,942 30.278,943 24.382,944 5.449,945 151.894,947 105.94,948 94.326,949 34.652,951 45.954,952 105.94,953 34.652,956 7.853,957 76.997,958 9.476,959 45.954,960 105.94,961 34.652,962 140.28,965 105.94,966 27.992,967 66.334,968 45.954,969 34.652,970 105.94,971 34.652,972 140.28,973 0.587,974 0.344,975 0.191,976 0.094,977 15,978 6,979 0.036,980 1,981 1,982 1.143,983 3.005,984 121.557,985 0.143,986 14,987 69.487,993 10.696,994 4.097,995 1.923,997 34.652,998 11.372,1001 5.381,1003 3.277,1006 280.872,1007 26.5,1013 12.086,1015 1.813,1017 0.89,1020 26.302,1021 28.336,1022 0.314,1023 0.696,1024 0.84,1025 0.967,1026 0.984,1027 0.984,1028 4.541,1029 0.708,1030 5.38,1031 1.891,1032 4.007,1033 4.61,1034 0.655,1035 6.196,1036 3.97,1037 5.762,1038 -0.035,1039 6.94,1040 1.699,1041 3.611,1042 4.369,1044 7.076,1045 3.526,1046 7.075,1047 -0.579,1048 8.6,1049 -0.095,1050 5.602,1051 6.796,1052 0.356,1053 10.198,1054 5.564,1055 8.424,1056 -0.803,1057 10.317,1058 -1.403,1059 6.043,1060 7.385,1062 11.945,1063 6.003,1064 9.806,1065 -0.887,1066 12.073,1067 -1.947,1068 7.506,1069 9.247,1070 0.18,1071 14.574,1072 7.486,1073 11.21,1074 -1.178,1075 13.857,1076 -2.207,1077 8.333,1078 10.232,1080 16.687,1081 8.332,1082 12.632,1083 -1.492,1084 15.662,1085 -3.271,1086 9.591,1087 11.846,1088 0.087,1089 19.15,1090 9.604,1091 3.173,1092 -1.724,1093 17.484,1094 -4.167,1095 10.594,1096 13.028,1098 21.417,1099 10.63,1100 2.694,1101 10.755,1102 19.32,1103 -4.749,1104 11.774,1105 14.527,1106 0.041,1107 23.822,1108 11.825,1109 2.197,1110 7.824,1111 21.166,1112 4.093,1113 12.855,1114 15.809,1116 26.152,1117 12.929,1118 1.814,1119 6.675,1120 23.021,1121 3.742,1122 14.008,1123 17.254,1124 0.019,1125 28.537,1126 14.099,1127 1.623,1128 5.198,1129 24.884,1130 3.047,1131 15.124,1132 18.588,1134 30.892,1135 15.236,1136 1.342,1137 4.628,1138 26.754,1139 2.381,1140 16.27,1141 20.007,1142 0.009,1143 33.271,1144 16.399,1145 0.788,1146 2.96,1147 28.628,1148 2.106,1149 17.403,1150 21.369,1152 35.637,1153 17.551,1154 2364,1155 4392,1156 12.83,1157 20.068,1158 29.315,1159 30.059,1160 29.546,1161 28.887,1162 28.681,1163 39.006,1164 1.36,1165 83.261,1166 27.85,1167 5.312,1168 5.7,1169 6.367,1170 5.186,1171 5.173,1172 7.093,1173 1.36,1174 17.8,1175 5.214,1176 6.697,1177 1.543,1178 1.582,1179 1.555,1180 1.52,1181 1.51,1182 2.053,1183 0.072,1184 4.382,1185 1.466,1186 4.049,1187 4.062,1188 6.881,1189 3.986,1190 7.427,1191 3.986,1192 3.86,1193 3.862,1194 3.994,1195 3.757,1196 5.071,1197 3.758,1198 3.449,1199 3.477,1200 3.723,1201 3.366,1202 4.717,1203 3.356,1204 2.988,1205 3.028,1206 3.342,1207 2.845,1208 4.113,1209 2.843,1210 2.828,1211 2.87,1212 2.875,1213 2.784,1214 3.651,1215 2.741,1216 2.572,1217 2.629,1218 2.66,1219 2.447,1220 3.622,1221 2.341,1222 2.45,1223 2.471,1224 2.413,1225 2.305,1226 3.558,1227 2.319,1228 2.303,1229 2.358,1230 2.165,1231 2.069,1232 3.235,1233 2.076,1234 0.237,1235 0.195,1236 0.352,1237 0.22,1238 0.167,1239 4.51,1240 0.215,1241 3.7,1242 0.036,1243 6.686,1244 0.566,1245 4.186,1246 0.169,1247 3.173,1248 4.093,1249 0.68,1250 10.755,1251 3.214,1252 1.891,1253 1.869,1254 2.002,1255 1.961,1256 1.157,1257 1.976,1258 1.696,1259 1.68,1260 1.804,1261 1.808,1262 0.959,1263 1.803,1264 1.421,1265 1.401,1266 1.547,1267 1.523,1268 0.674,1269 1.545,1270 1.157,1271 1.162,1272 1.282,1273 1.4,1274 0.4,1275 1.36,1276 1.032,1277 1,1278 1.17,1279 1.214,1280 0.226,1281 1.21,1282 0.785,1283 0.729,1284 1.023,1285 0.97,1286 0.08,1287 1.008,1288 0.334,1289 0.257,1290 0.711,1291 0.634,1293 0.67,1294 0.118,1295 0.053,1296 0.492,1297 0.474,1299 0.487,1300 3.664,1302 4.99,1303 3.045,1304 6.497,1305 5.416,1306 8.084,1307 7.496,1308 9.718,1309 3.244,1315 0.688,1326 19.089,1327 38.379,1328 85.05,1329 102.702,1330 118.211,1331 120.211,1332 120.211,1333 21.95,1334 6.382,1335 30.21,1336 30.21,1337 16,1338 12.12,1339 3.807,1340 3.087,1341 23.764,1342 44,1343 43,1344 0.273,1345 122.298,1346 210.26,1347 290.166,1348 4167,1349 3.8,1350 11.828,1351 0.696,1352 0.619,1353 12.828,1354 10.529,1355 8.237,1356 0.434,1357 0.322,1358 5.331,1359 7.522,1360 5.164,1361 4.246,1362 8.815,1363 6.117,1364 7.583,1365 0.281,1366 0.176,1367 8.4,1368 4.756,1369 6.432,1370 0.179,1371 0.091,1372 6.956,1373 3.271,1374 5.452,1375 0.114,1376 0.049,1377 5.952,1378 2.368,1379 4.015,1380 0.076,1381 0.028,1382 4.465,1383 1.483,1384 0.413,1385 59.189,1386 0.279,1387 16.978,1388 0.789,1389 92,1390 278.126,1391 167.938,1392 305.358,1393 406.51,1394 284,1395 109,1396 272.642,1397 143.244,1398 288.668,1399 424.5,1400 272,1401 4.559}
{0 CHEMBL1527861,1 1.584,2 13.75,3 4.665,4 21.763,5 111.738,6 7.891,7 0.567,8 3.991,9 4.096,10 3.643,11 3.603,12 5.123,13 3.553,14 4.483,15 4.628,16 3.96,17 3.948,18 5.617,19 3.869,20 4.716,21 4.918,22 3.942,23 3.954,24 5.813,25 3.876,26 4.677,27 4.884,28 3.85,29 3.87,30 5.857,31 3.808,32 4.63,33 4.83,34 3.832,35 3.879,36 5.839,37 3.797,38 4.527,39 4.704,40 3.76,41 3.915,42 5.608,43 3.801,44 4.582,45 4.797,46 3.645,47 3.874,48 5.608,49 3.734,50 4.536,51 4.781,52 3.487,53 3.67,54 5.516,55 3.547,56 0.026,57 0.674,58 9.873,59 4.811,60 7.074,61 5.799,62 0.178,63 1.068,64 19.036,65 8.249,66 22.968,67 9.972,68 0.285,69 1.299,70 28.034,71 9.821,72 39.938,73 12.093,74 0.274,75 1.22,76 25.246,77 9.023,78 47.737,79 11.095,80 0.506,81 1.129,82 24.266,83 9.023,84 67.124,85 10.921,86 0.196,87 1.081,88 21.659,89 8.834,90 36.174,91 10.66,92 0.237,93 1.135,94 23.181,95 9.348,96 36.93,97 12.125,98 0.244,99 1.041,100 22.661,101 8.21,102 41.359,103 10.881,104 14,105 39,106 0.266,107 0.571,108 0.732,109 0.843,110 0.856,111 0.87,112 3.373,113 1.003,114 -4.39,115 -4.32,116 -4.07,120 44,121 1,122 2,126 1,143 10,144 1,145 3,152 1,153 1,159 2,174 9,177 4,180 2,182 5,185 9,189 7,194 8,197 4,201 8,206 2,209 4,213 1,214 5,217 1,218 1,219 1,222 14,235 17,240 3,243 2,245 2,247 9,252 3,257 5,260 3,263 1,264 2,269 3,271 2,274 1332,275 19.146,276 19.146,277 19.146,278 19.146,279 19.146,280 16.893,281 20.431,282 11.8,283 19.549,284 14.804,285 14.804,286 14.804,287 14.804,288 14.804,289 11.379,290 27.198,291 5.613,292 15.432,293 4.059,294 2.236,295 1.279,296 0.615,297 0.535,298 0.455,299 4.057,306 1,307 1,308 813,309 3.808,312 95.453,313 212.236,320 2.321,321 26.974,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 60,333 385,334 4.242,335 3.578,336 6.091,337 3.88,338 2.89,339 3.821,340 1.058,341 8.879,342 2.862,343 4.188,344 3.57,345 6.054,346 3.797,347 2.836,348 3.736,349 1.058,350 8.702,351 2.715,352 3.99,353 2.875,354 5.484,355 3.551,356 2.585,357 3.589,358 0.86,359 7.361,360 2.495,361 3.675,362 2.677,363 5.286,364 3.295,365 2.344,366 3.002,368 6.757,369 2.217,370 3.438,371 2.279,372 5.095,373 3.049,374 2.095,375 2.733,377 6.199,378 1.99,379 3.131,380 2.167,381 4.207,382 2.633,383 1.66,384 2.326,386 3.934,387 1.601,388 2.876,389 2.023,390 4.031,391 2.597,392 1.617,393 1.971,395 3.464,396 1.567,397 2.603,398 1.641,399 3.598,400 2.338,401 1.343,402 1.606,404 2.969,405 1.328,406 2.541,407 1.199,408 3.463,409 2.041,410 1.034,411 1.507,413 2.464,414 1.036,415 2.5,416 1.04,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.282,425 1,426 3.233,427 1.737,428 0.785,429 1.126,431 1.87,432 0.73,433 2.118,434 0.966,435 3,436 1.641,437 0.706,438 0.927,440 1.372,441 0.653,442 1.786,443 0.753,444 2.838,445 1.461,446 0.618,447 0.749,449 1.217,450 0.506,451 1.48,452 0.618,453 2.752,454 1.099,455 0.105,456 0.136,458 0.25,459 0.103,460 0.963,461 0.336,462 2.471,463 0.737,464 -0.214,465 -0.234,467 -0.374,468 -0.202,469 13.633,470 0.487,471 0.52,472 0.019,473 37.5,474 1.339,475 20.5,476 0.732,477 17,478 0.607,479 20.836,480 0.744,481 29.567,482 0.591,483 27.247,484 0.973,485 7.274,486 0.26,487 6.378,488 0.228,489 0.086,491 0.257,496 0.734,497 1.09,498 0.755,499 0.921,500 0.573,501 0.894,502 0.759,503 1.165,504 0.919,505 1.064,506 0.571,507 1.027,508 1.172,509 1.143,510 0.943,511 1.044,512 0.947,513 0.965,514 1.405,515 1.024,516 0.864,517 0.888,518 1.247,519 0.899,520 1.357,521 0.686,522 0.83,523 0.682,524 1.507,525 0.798,526 1.023,527 1.026,528 1.112,529 1.056,530 1.173,531 1.084,532 0.58,533 1.094,534 0.99,535 1.108,536 0.679,537 1.154,538 1.024,539 1.02,540 0.778,541 0.884,542 1.032,543 0.967,544 5,545 0.12,546 2.444,547 1.153,548 1.454,549 0.621,550 0.414,551 0.354,552 0.198,553 0.14,554 11023,555 30362,556 2.055,557 44,558 5,559 12,560 1,562 2,564 2,567 1.704,568 1.953,569 3.735,570 0.212,575 79.223,576 1.584,577 3.408,578 4.364,579 5.029,580 5.109,581 5.189,582 3.244,583 4.307,584 4.774,585 3.911,586 1478.2,587 8.272,588 20912.1,590 1,593 282.193,594 1.255,595 4.752,596 0.167,597 0.006,598 0.063,599 0.031,600 0.042,601 0.018,602 0.013,603 0.013,604 0.009,605 0.007,606 0.367,607 0.17,608 1,609 1.204,610 144.85,611 -0.044,612 -0.001,613 0.052,614 0.041,615 -0.052,616 0.035,617 0.103,618 -0.125,619 0.009,620 -0.067,621 0.074,622 -0.075,623 -0.059,624 -0.143,625 0.021,626 -0.094,627 -0.005,628 -0.013,629 -0.128,630 -0.035,631 0.014,632 -0.013,633 -0.004,634 0.027,635 0.012,636 0.265,637 0.058,638 0.219,639 -0.033,640 0.141,641 -0.147,642 -0.028,643 -0.163,644 -0.057,645 -0.164,646 -0.109,647 0.109,648 -0.124,649 -0.098,650 -0.155,651 0.01,652 -0.157,653 -0.045,654 -0.096,655 0.065,656 -0.011,657 -0.074,658 0.013,659 1.878,660 5.479,661 0.607,662 33.653,663 1.002,664 1.114,665 3.155,666 9.956,667 0.693,668 3.434,669 3.689,670 3.892,671 4.078,672 4.205,673 4.19,674 4.277,675 4.344,676 4.382,677 4.407,678 7.896,679 0.653,680 394.53,681 3.434,682 4.934,683 5.746,684 6.583,685 7.412,686 8.253,687 9.088,688 9.931,689 10.77,690 11.614,691 4,698 2,709 11,713 1,714 5,716 17,723 2,735 1,738 50,739 19,740 2,741 30,743 52,744 22,745 16,746 4,747 8,748 2,752 3,753 3,759 1,766 2,768 18,769 4,772 2,778 2,782 2,786 1,789 22,790 5,791 2,792 6,793 1,797 2,803 1,804 3,822 1,823 2,855 3,857 1,859 1,862 28,869 3,871 2,872 1,880 1,886 6,889 2,891 1,893 14.333,894 9.083,895 6.389,896 3.097,898 2.853,899 1.4,900 0.975,901 7.347,902 9.977,903 3.726,904 4.252,905 4.761,906 5.26,907 5.641,908 5.72,909 5.995,910 6.248,911 6.522,912 6.806,913 1,914 37,915 10.358,917 4.296,918 7.804,919 19.651,921 15.53,924 2.304,925 64.5,927 1,928 1,929 235.422,930 176.886,931 36.022,933 61.29,935 31.278,936 145.608,937 296.712,938 36.022,939 8.825,940 45.683,941 102.412,942 59.699,943 24.942,944 13.13,945 254.929,947 235.422,948 181.63,949 61.29,950 31.278,952 211.88,953 84.832,956 54.508,957 127.122,959 31.278,960 235.422,961 97.311,962 176.886,965 235.422,966 65.649,967 111.237,968 36.022,969 61.29,970 235.422,971 97.311,972 176.886,973 0.561,974 0.318,975 0.166,976 0.085,977 16,978 7,979 0.154,980 8,982 1,983 4.155,984 220.375,986 17,987 130.606,989 1,993 20.246,994 10.161,995 6.005,997 97.311,998 19.618,1002 1.387,1003 3.189,1005 36.022,1006 509.619,1007 40.5,1013 24.546,1017 -0.358,1020 50.098,1021 55.697,1022 0.281,1023 0.604,1024 0.773,1025 0.891,1026 0.905,1027 0.919,1028 4.914,1029 1.343,1030 5.687,1031 3.464,1032 4.369,1033 4.938,1034 1.94,1035 6.405,1036 4.296,1037 6.085,1038 1.034,1039 7.186,1040 2.969,1041 3.761,1042 4.527,1044 7.096,1045 3.683,1046 7.356,1047 1,1048 8.783,1049 2.464,1050 5.872,1051 7.033,1052 1.962,1053 10.151,1054 5.735,1055 8.662,1056 0.785,1057 10.438,1058 2.275,1059 6.111,1060 7.46,1062 11.66,1063 5.961,1064 9.998,1065 0.706,1066 12.13,1067 1.87,1068 7.63,1069 9.38,1070 2.005,1071 14.182,1072 7.441,1073 11.355,1074 0.618,1075 13.847,1076 1.372,1077 8.267,1078 10.198,1080 16.032,1081 8.061,1082 12.728,1083 0.105,1084 15.581,1085 1.217,1086 9.528,1087 11.854,1088 2.066,1089 18.352,1090 9.294,1091 2.89,1092 -0.214,1093 17.327,1094 0.25,1095 10.364,1096 12.879,1098 20.362,1099 10.112,1100 2.836,1101 8.879,1102 19.082,1103 -0.374,1104 11.506,1105 14.396,1106 2.139,1107 22.597,1108 11.233,1109 2.585,1110 8.702,1111 20.845,1112 3.821,1113 12.444,1114 15.539,1116 24.686,1117 12.151,1118 2.344,1119 7.361,1120 22.613,1121 3.736,1122 13.532,1123 16.979,1124 2.222,1125 26.885,1126 13.22,1127 2.095,1128 6.757,1129 24.385,1130 3.589,1131 14.521,1132 18.191,1134 29.014,1135 14.192,1136 1.66,1137 6.199,1138 26.162,1139 3.002,1140 15.584,1141 19.585,1142 2.311,1143 31.198,1144 15.237,1145 1.617,1146 3.934,1147 27.941,1148 2.733,1149 16.601,1150 20.84,1152 33.348,1153 16.237,1154 10726,1155 18023,1156 20.167,1157 34.637,1158 43.901,1159 45.324,1160 44.292,1161 43.171,1162 43.236,1163 57.457,1164 5.953,1165 115.427,1166 41.604,1167 5.105,1168 5.578,1169 6.001,1170 4.959,1171 4.89,1172 6.821,1173 2.117,1174 15.159,1175 4.862,1176 12.28,1177 1.463,1178 1.511,1179 1.476,1180 1.439,1181 1.441,1182 1.915,1183 0.198,1184 3.848,1185 1.387,1186 3.989,1187 4.015,1188 4.227,1189 3.933,1190 7.431,1191 3.905,1192 3.897,1193 3.915,1194 3.92,1195 3.864,1196 7.427,1197 3.831,1198 3.825,1199 3.837,1200 3.81,1201 3.792,1202 4.84,1203 3.772,1204 3.655,1205 3.722,1206 3.485,1207 3.51,1208 4.758,1209 3.492,1210 3.368,1211 3.41,1212 3.323,1213 3.132,1214 4.63,1215 3.171,1216 3.213,1217 3.266,1218 3.161,1219 2.977,1220 4.338,1221 3.006,1222 3.145,1223 3.193,1224 2.96,1225 2.921,1226 4.046,1227 2.921,1228 2.854,1229 2.925,1230 2.7,1231 2.735,1232 4.011,1233 2.715,1234 0.141,1235 0.119,1236 0.203,1237 0.129,1238 0.096,1239 4.242,1240 0.127,1241 3.578,1242 0.035,1243 6.091,1244 0.296,1245 3.88,1246 0.095,1247 2.89,1248 3.821,1249 1.058,1250 8.879,1251 2.862,1252 1.925,1253 1.902,1254 2.024,1255 2.038,1256 1.242,1257 2.034,1258 1.866,1259 1.841,1260 1.982,1261 1.969,1262 1.099,1263 1.973,1264 1.669,1265 1.603,1266 1.937,1267 1.848,1268 1.052,1269 1.882,1270 1.539,1271 1.524,1272 1.672,1273 1.678,1274 0.728,1275 1.669,1276 1.39,1277 1.382,1278 1.542,1279 1.519,1280 0.706,1281 1.531,1282 1.22,1283 1.186,1284 1.401,1285 1.456,1286 0.594,1287 1.485,1288 1.149,1289 1.074,1290 1.282,1291 1.384,1292 0.338,1293 1.384,1294 0.909,1295 0.868,1296 1.181,1297 1.07,1298 0.218,1299 1.109,1300 4.111,1302 5.38,1303 2.398,1304 6.83,1305 4.443,1306 8.362,1307 6.293,1308 9.938,1310 2.103,1315 2.677,1317 5.686,1318 5.651,1326 32.642,1327 79.223,1328 170.39,1329 218.219,1330 251.438,1331 255.438,1332 259.438,1333 54.525,1334 7.124,1335 67.43,1336 95.67,1337 17,1338 12.177,1339 4.322,1340 3.524,1341 50.061,1342 133,1343 142,1344 0.181,1345 207.056,1346 359.86,1347 496.977,1348 12553,1350 19.769,1351 0.706,1352 0.586,1353 20.123,1354 16.422,1355 13.652,1356 0.455,1357 0.334,1358 9.128,1359 12.77,1360 8.833,1361 7.401,1362 14.106,1363 10.026,1364 11.646,1365 0.299,1366 0.183,1367 12.229,1368 7.14,1369 9.425,1370 0.196,1371 0.102,1372 10.141,1373 4.877,1374 7.46,1375 0.129,1376 0.054,1377 8.071,1378 3.121,1379 5.509,1380 0.083,1381 0.027,1382 5.795,1383 1.765,1384 0.296,1385 89.334,1386 0.223,1387 27.599,1388 0.467,1389 138,1390 422.733,1391 172.362,1392 427.902,1393 576.63,1394 400,1395 156,1396 399.634,1397 186.512,1398 418.184,1399 605.51,1400 394,1401 5.022}
{0 CHEMBL1528362,1 1.52,2 11.033,3 4.332,4 18.765,5 113.265,6 8.301,7 0.545,8 3.983,9 4.069,10 3.639,11 3.585,12 5.234,13 3.584,14 4.444,15 4.56,16 3.995,17 3.942,18 5.755,19 3.93,20 4.673,21 4.824,22 4.094,23 4.073,24 5.909,25 4.053,26 4.738,27 4.901,28 4.048,29 4.043,30 6.035,31 4.016,32 4.726,33 4.913,34 3.991,35 4.022,36 5.964,37 3.98,38 4.658,39 4.832,40 3.968,41 4.014,42 5.863,43 3.976,44 4.661,45 4.816,46 4.017,47 4.041,48 6.097,49 3.997,50 4.68,51 4.857,52 3.883,53 4.016,54 5.9,55 3.941,56 0.068,57 0.612,58 7.494,59 4.176,60 10.21,61 4.614,62 0.31,63 0.986,64 13.626,65 6.634,66 37.43,67 7.587,68 0.25,69 1.253,70 18.805,71 8.328,72 29.741,73 9.698,74 0.402,75 1.319,76 21.545,77 8.825,78 52.88,79 10.077,80 0.464,81 1.305,82 22.795,83 9.013,84 58.931,85 10.818,86 0.339,87 1.217,88 20.29,89 8.427,90 50.426,91 9.887,92 0.503,93 1.187,94 19.388,95 8.661,96 84.454,97 10.404,98 0.354,99 1.176,100 20.984,101 9.537,102 47.524,103 11.649,104 21,105 46,106 0.253,107 0.549,108 0.707,109 0.849,110 0.887,111 0.887,112 3.441,113 0.84,114 -5.44,115 -5.32,116 -4.96,120 50,125 1,136 2,143 12,144 3,145 3,159 3,168 1,172 1,174 14,175 1,176 2,177 11,180 1,182 1,185 15,186 2,189 12,194 2,197 10,198 1,200 1,201 15,202 1,206 1,209 8,210 1,213 1,214 13,217 1,219 1,222 12,227 8,228 2,235 17,236 2,239 2,240 4,243 2,245 2,247 21,248 2,251 2,252 4,257 2,260 22,261 3,264 3,269 3,271 13,272 3,274 1620,275 20.438,276 20.438,277 20.438,278 20.438,279 20.438,280 17.764,281 20.587,282 11.994,283 20.754,284 16.211,285 16.211,286 16.211,287 16.211,288 16.211,289 12.047,290 26.879,291 5.592,292 16.636,293 4.065,294 2.288,295 1.344,296 0.49,297 0.266,298 0.266,299 4.138,306 1,307 1,308 713,309 3.24,313 330.941,317 136.33,320 1.44,321 34.601,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 65,333 331,334 4.561,335 3.829,336 6.927,337 4.233,338 3.271,339 4.116,340 1.437,341 11.626,342 3.151,343 4.191,344 3.576,345 6.203,346 3.805,347 2.81,348 3.795,349 1.257,350 9.132,351 2.79,352 4.064,353 2.951,354 5.915,355 3.638,356 2.657,357 3.673,358 0.86,359 8.155,360 2.609,361 3.88,362 2.856,363 5.49,364 3.526,365 2.552,366 3.243,367 0.78,368 7.352,369 2.472,370 3.636,371 2.765,372 5.316,373 3.197,374 2.237,375 2.946,376 0.219,377 6.558,378 2.138,379 3.454,380 2.403,381 5.098,382 3.025,383 2.06,384 2.722,386 6.178,387 1.978,388 3.34,389 2.292,390 5.019,391 2.901,392 1.9,393 2.595,395 5.495,396 1.89,397 2.891,398 1.818,399 4.019,400 2.423,401 1.431,402 2.045,404 3.181,405 1.417,406 2.805,407 1.474,408 3.772,409 2.321,410 1.328,411 1.887,413 3.082,414 1.312,415 2.557,416 1.311,417 3.627,418 2.04,419 1.034,420 1.515,422 2.611,423 1.035,424 2.529,425 1.207,426 3.437,427 2.005,428 1,429 1.5,431 2.322,432 1,433 2.5,434 1.149,435 3.414,436 2,437 1,438 1.475,440 2.275,441 0.994,442 2.404,443 1,444 3.308,445 1.733,446 0.772,447 1.13,449 1.714,450 0.735,451 1.662,452 0.832,453 3.09,454 1.341,455 0.443,456 0.528,458 0.733,459 0.394,460 1.593,461 0.691,462 2.775,463 1.049,464 0.044,465 0.063,467 0.118,468 0.044,469 14.133,470 0.471,471 0.695,472 0.023,473 44.5,474 1.483,475 25.5,476 0.85,477 19,478 0.633,479 20.112,480 0.67,481 30.267,482 0.631,483 36.497,484 1.217,485 9.213,486 0.307,487 5.349,488 0.178,489 0.106,491 0.347,496 0.751,497 1.118,498 0.69,499 0.946,500 0.674,501 0.834,502 0.7,503 1.059,504 0.784,505 0.932,506 0.507,507 0.89,508 0.913,509 1.173,510 0.889,511 1.015,512 0.757,513 0.951,514 1.129,515 1.147,516 1.051,517 1.036,518 1.123,519 1.021,520 0.983,521 0.953,522 0.962,523 0.88,524 1.17,525 0.902,526 1.013,527 0.947,528 0.968,529 0.886,530 1.05,531 0.9,532 0.661,533 0.932,534 0.925,535 1.002,536 0.68,537 1.012,538 0.775,539 0.955,540 1.009,541 1.093,542 0.996,543 1.108,544 5.5,545 0.202,546 3.333,547 2.063,548 1.942,549 1.069,550 0.771,551 0.575,552 0.328,553 0.279,554 11127,555 33896,556 2.087,557 37.5,559 17,562 1,567 1.735,568 1.957,569 3.389,570 -0.382,572 1,575 72.98,576 1.52,577 3.297,578 4.241,579 5.095,580 5.319,581 5.319,582 2.828,583 4.123,584 4.873,585 3.554,586 1546.02,587 8.54,588 21136.5,590 1,592 1,593 268.078,594 1.4,595 4.839,596 0.167,597 0.008,598 0.072,599 0.041,600 0.042,601 0.024,602 0.018,603 0.013,604 0.008,605 0.009,606 0.403,607 0.17,608 0.88,609 0.812,610 152.487,611 -0.057,612 -0.101,613 0.029,614 -0.012,615 -0.101,616 0.016,617 0.126,618 -0.025,619 0.022,620 0.002,621 0.121,622 -0.016,623 -0.087,624 -0.128,625 -0.012,626 -0.078,627 -0.01,628 -0.037,629 -0.117,630 -0.107,631 -0.11,632 -0.096,633 -0.064,634 -0.1,635 -0.041,636 0.078,637 0.015,638 0.079,639 -0.086,640 0.063,641 -0.137,642 0.079,643 -0.034,644 0.071,645 -0.114,646 0.053,647 0.22,648 0.06,649 -0.018,650 -0.034,651 0.297,652 -0.065,653 0.043,654 -0.026,655 -0.061,656 -0.088,657 -0.046,658 -0.098,659 2.728,660 6.251,661 0.733,662 28.667,663 1.012,664 1.107,665 4.206,666 17.688,667 0.707,668 3.526,669 3.85,670 4.143,671 4.407,672 4.682,673 4.779,674 4.934,675 5.05,676 5.198,677 5.247,678 6.477,679 0.69,680 398.44,681 3.526,682 5.069,683 5.927,684 6.808,685 7.686,686 8.575,687 9.462,688 10.357,689 11.25,690 12.149,691 4.2,698 1,700 1,709 12,714 6,716 18,724 1,725 1,735 1,738 48,739 22,740 3,741 33,743 51,744 24,745 18,746 6,747 12,748 5,752 4,753 5,768 23,769 1,772 4,778 2,780 2,781 1,782 3,786 1,789 18,790 6,791 1,792 6,797 2,799 1,803 0.75,804 4,823 4,827 1,845 2,853 1,855 3,859 1,862 30,868 1,872 1,875 1,886 8.3,888 1,889 2,891 1,893 15.333,894 9.017,895 6.667,896 2.668,898 4.356,899 1.559,900 0.982,901 5.465,902 12.148,903 3.85,904 4.437,905 5.032,906 5.598,907 6.168,908 6.422,909 6.862,910 7.236,911 7.694,912 8.055,913 1,914 50,915 11.08,917 4.777,918 7.95,919 20.561,921 16.604,924 2.45,925 73.5,928 1,929 200.109,930 171.807,931 19.91,933 103.973,936 171.807,937 304.082,938 19.91,939 10.883,940 3.124,941 132.667,942 100.916,943 48.099,945 200.109,947 200.109,948 191.716,949 103.973,952 200.109,953 103.973,956 19.91,957 152.854,958 18.952,960 200.109,961 123.883,962 171.807,965 200.109,966 28.256,967 146.675,969 120.759,970 200.109,971 123.883,972 171.807,973 0.579,974 0.346,975 0.185,976 0.104,977 22,978 10,979 0.098,980 5,981 1,982 1.091,983 4.053,984 274.109,985 0.091,986 22,987 143.207,993 19.62,994 8.357,995 4.052,997 123.883,998 20.799,1003 3.218,1005 42.683,1006 495.798,1007 46,1013 24.653,1015 3.58,1016 4.64,1017 -0.927,1020 48.582,1021 53.156,1022 0.272,1023 0.59,1024 0.759,1025 0.912,1026 0.952,1027 0.952,1028 5.078,1029 1.431,1030 5.911,1031 5.495,1032 4.533,1033 5.124,1034 2.391,1035 6.732,1036 4.485,1037 6.291,1038 1.328,1039 7.477,1040 3.181,1041 4.111,1042 4.82,1043 0.325,1044 7.673,1045 4.027,1046 7.595,1047 1.034,1048 9.145,1049 3.082,1050 6.133,1051 7.285,1052 2.75,1053 10.788,1054 6.032,1055 8.934,1056 1,1057 10.874,1058 2.611,1059 6.538,1060 7.774,1061 0.766,1062 12.577,1063 6.393,1064 10.303,1065 1,1066 12.643,1067 2.322,1068 8.023,1069 9.697,1070 3.258,1071 15.231,1072 7.863,1073 11.694,1074 0.772,1075 14.441,1076 2.275,1077 8.815,1078 10.575,1079 1.259,1080 17.387,1081 8.61,1082 13.101,1083 0.443,1084 16.259,1085 1.714,1086 10.088,1087 12.246,1088 3.853,1089 19.895,1090 9.862,1091 3.271,1092 0.044,1093 18.095,1094 0.733,1095 11.07,1096 13.339,1097 1.765,1098 22.214,1099 10.799,1100 2.81,1101 11.626,1102 19.944,1103 0.118,1104 12.261,1105 14.879,1106 4.497,1107 24.677,1108 11.963,1109 2.657,1110 9.132,1111 21.805,1112 4.116,1113 13.337,1114 16.096,1115 2.27,1116 27.068,1117 12.995,1118 2.552,1119 8.155,1120 23.675,1121 3.795,1122 14.503,1123 17.565,1124 5.169,1125 29.519,1126 14.128,1127 2.237,1128 7.352,1129 25.554,1130 3.673,1131 15.626,1132 18.855,1133 2.771,1134 31.942,1135 15.207,1136 2.06,1137 6.558,1138 27.44,1139 3.243,1140 16.787,1141 20.288,1142 5.859,1143 34.39,1144 16.331,1145 1.9,1146 6.178,1147 29.333,1148 2.946,1149 17.934,1150 21.621,1151 3.266,1152 36.829,1153 17.436,1154 10699,1155 18816,1156 22.076,1157 33.921,1158 50.315,1159 51.595,1160 51.21,1161 49.112,1162 49.077,1163 66.466,1164 9.104,1165 141.064,1166 47.917,1167 5.433,1168 5.829,1169 6.608,1170 5.306,1171 5.271,1172 7.116,1173 2.873,1174 19.194,1175 5.151,1176 14.504,1177 1.525,1178 1.563,1179 1.552,1180 1.488,1181 1.487,1182 2.014,1183 0.276,1184 4.275,1185 1.452,1186 4.047,1187 4.074,1188 4.012,1189 3.953,1190 7.475,1191 3.962,1192 3.908,1193 3.93,1194 3.852,1195 3.845,1196 7.428,1197 3.843,1198 3.871,1199 3.892,1200 3.819,1201 3.809,1202 6.351,1203 3.807,1204 3.525,1205 3.562,1206 3.461,1207 3.397,1208 4.913,1209 3.406,1210 3.324,1211 3.349,1212 3.261,1213 3.111,1214 4.83,1215 3.141,1216 3.234,1217 3.256,1218 3.152,1219 2.988,1220 4.67,1221 3.023,1222 3.153,1223 3.189,1224 3.019,1225 2.918,1226 4.497,1227 2.928,1228 2.932,1229 2.991,1230 2.802,1231 2.783,1232 4.322,1233 2.777,1234 0.138,1235 0.116,1236 0.21,1237 0.128,1238 0.099,1239 4.561,1240 0.125,1241 3.829,1242 0.044,1243 6.927,1244 0.352,1245 4.233,1246 0.095,1247 3.271,1248 4.116,1249 1.437,1250 11.626,1251 3.151,1252 1.978,1253 1.954,1254 2.057,1255 2.09,1256 1.153,1257 2.078,1258 1.901,1259 1.88,1260 2.005,1261 1.987,1262 1.094,1263 1.993,1264 1.864,1265 1.843,1266 1.968,1267 1.947,1268 1.056,1269 1.954,1270 1.486,1271 1.45,1272 1.64,1273 1.647,1274 0.68,1275 1.644,1276 1.227,1277 1.194,1278 1.542,1279 1.509,1280 0.563,1281 1.514,1282 1.134,1283 1.093,1284 1.3,1285 1.414,1286 0.353,1287 1.368,1288 1.078,1289 1.046,1290 1.239,1291 1.321,1292 0.227,1293 1.299,1294 0.917,1295 0.861,1296 1.181,1297 1.099,1298 0.218,1299 1.115,1300 4.205,1302 5.525,1304 7.055,1306 8.681,1308 10.36,1310 1.605,1314 9.334,1318 5.174,1321 1.425,1326 33.116,1327 72.98,1328 158.246,1329 203.549,1330 244.568,1331 255.323,1332 255.323,1333 56.779,1334 7.792,1335 81.42,1336 81.42,1337 24,1338 12.673,1339 4.524,1340 3.807,1341 46.723,1342 111,1343 150,1344 0.198,1345 202.93,1346 364.46,1347 486.91,1348 26547,1350 21.087,1351 0.703,1352 0.538,1353 21.087,1354 16.149,1355 14.563,1356 0.441,1357 0.28,1358 9.121,1359 14.052,1360 8.907,1361 7.411,1362 14.563,1363 9.243,1364 12.944,1365 0.281,1366 0.143,1367 12.944,1368 6.59,1369 11.132,1370 0.18,1371 0.076,1372 11.132,1373 4.694,1374 9.206,1375 0.114,1376 0.039,1377 9.206,1378 3.175,1379 7.667,1380 0.072,1381 0.02,1382 7.667,1383 2.185,1384 0.306,1385 91.133,1386 0.213,1387 28.012,1388 0.562,1389 158,1390 504.647,1391 172.711,1392 487.092,1393 661.89,1394 454,1395 187,1396 483.891,1397 201.134,1398 491.899,1399 719.5,1400 462,1401 4.643}
{0 CHEMBL1528367,1 1.684,2 10.103,3 5.018,4 25.182,5 119.882,6 8.991,7 0.531,8 3.956,9 4.031,10 3.863,11 3.677,12 5.081,13 3.606,14 4.459,15 4.573,16 4.218,17 4.057,18 5.83,19 3.976,20 4.653,21 4.788,22 4.273,23 4.132,24 5.906,25 4.051,26 4.762,27 4.935,28 4.165,29 4.09,30 6.053,31 4.021,32 4.717,33 4.887,34 4.153,35 4.07,36 5.997,37 3.985,38 4.688,39 4.849,40 4.206,41 4.09,42 5.984,43 4.008,44 4.704,45 4.853,46 4.167,47 4.098,48 6.139,49 4.008,50 4.589,51 4.741,52 4.037,53 4.053,54 5.774,55 3.924,56 0.083,57 0.629,58 9.466,59 4.617,60 15.688,61 4.826,62 0.275,63 1.027,64 18.317,65 8.131,66 53.314,67 8.7,68 0.231,69 1.293,70 22.875,71 9.722,72 25.413,73 10.272,74 0.349,75 1.423,76 26.387,77 10.586,78 58.861,79 11.143,80 0.413,81 1.334,82 24.773,83 10.094,84 74.16,85 10.59,86 0.405,87 1.31,88 27.413,89 10.627,90 60.04,91 10.891,92 0.577,93 1.266,94 25.198,95 10.36,96 126.232,97 10.544,98 0.215,99 1.192,100 22.897,101 9.792,102 31.233,103 10.332,104 26,105 47,106 0.281,107 0.607,108 0.743,109 0.844,110 0.88,111 0.887,112 3.409,113 1.055,114 -4.58,115 -4.5,116 -4.24,120 46.8,121 2,136 1,139 1,143 9,144 4,145 1,152 1,154 1,158 2,174 13,176 3,177 3,182 3,185 16,189 11,192 1,194 4,197 11,201 11,204 1,206 3,209 6,213 1,214 8,219 3,222 10,227 9,230 2,232 1,235 14,239 2,240 6,245 2,247 18,252 8,257 1,260 15,264 8,271 12,274 1309,275 19.179,276 19.179,277 19.179,278 19.179,279 19.179,280 16.356,281 17.115,282 11.073,283 19.582,284 15.783,285 15.783,286 15.783,287 15.783,288 15.783,289 11.425,290 20.976,291 5.252,292 16.463,293 3.871,294 1.917,295 1.107,296 0.5,297 0.287,298 0.245,299 4.098,306 1,307 1,308 633,309 3.536,312 74.889,313 234.661,317 127.171,320 1.424,321 38.234,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 62,333 293,334 4.89,335 4.691,336 7.314,337 4.33,338 3.412,339 4.767,340 0.4,341 12.549,342 3.236,343 4.539,344 3.657,345 6.778,346 4.157,347 3.176,348 4.15,350 11.075,351 2.997,352 4.233,353 3.023,354 6.112,355 3.842,356 2.856,357 3.881,359 8.906,360 2.814,361 3.793,362 2.92,363 5.856,364 3.404,365 2.41,366 3.159,368 7.857,369 2.39,370 3.656,371 2.427,372 5.392,373 3.164,374 2.193,375 3.125,377 6.707,378 2.132,379 3.48,380 2.245,381 4.954,382 3.038,383 2.054,384 2.789,386 5.741,387 2.02,388 3.423,389 2.029,390 4.883,391 2.894,392 1.955,393 2.735,395 5.305,396 1.806,397 2.942,398 1.851,399 4.2,400 2.491,401 1.498,402 2.098,404 3.761,405 1.486,406 2.817,407 1.501,408 3.965,409 2.368,410 1.372,411 1.941,413 3.172,414 1.366,415 2.569,416 1.333,417 3.679,418 2.042,419 1.057,420 1.553,422 2.703,423 1.039,424 2.385,425 1.231,426 3.517,427 1.81,428 0.871,429 1.282,431 2.073,432 0.799,433 2.306,434 1,435 3.402,436 1.675,437 0.661,438 0.976,440 1.673,441 0.663,442 2.118,443 0.618,444 3.025,445 1.461,446 0.618,447 0.927,449 1.372,450 0.506,451 1.624,452 0.554,453 3,454 1.224,455 0.24,456 0.324,458 0.599,459 0.235,460 1.079,461 0.066,462 2.754,463 0.659,464 -0.316,465 -0.393,467 -0.91,468 -0.306,469 14.467,470 0.499,471 0.91,472 0.031,473 41.5,474 1.431,475 24,476 0.828,477 17.5,478 0.603,479 22.816,480 0.787,481 29.333,482 0.624,483 33.046,484 1.14,485 7.983,486 0.275,487 5.865,488 0.202,489 0.138,490 0.058,491 0.311,496 0.458,497 1.041,498 0.759,499 1,500 0.63,501 0.817,502 0.504,503 0.985,504 0.656,505 0.805,506 0.512,507 0.821,508 0.774,509 1.302,510 0.957,511 1.179,512 0.747,513 1.059,514 1.286,515 1.05,516 0.896,517 0.912,518 1.179,519 0.92,520 1.347,521 0.938,522 0.866,523 0.825,524 1.355,525 0.887,526 1.133,527 0.897,528 0.983,529 0.94,530 1.15,531 0.835,532 1.32,533 0.879,534 0.949,535 0.838,536 1.358,537 0.891,538 0.873,539 1.121,540 1.173,541 1.197,542 0.799,543 1.185,544 7,545 0.128,546 4.222,547 2.528,548 2.246,549 1.149,550 1.015,551 0.588,552 0.42,553 0.255,554 9905,555 29309,556 2.061,557 38.3,558 6,559 10,560 1,562 1,567 1.726,568 1.902,569 3.303,570 -0.336,575 79.145,576 1.684,577 3.638,578 4.447,579 5.054,580 5.267,581 5.31,582 2.707,583 4.582,584 4.83,585 3.442,586 1397.41,587 8.45,588 18394.8,590 1,593 261.066,594 1.636,595 4.769,596 0.219,597 0.008,598 0.09,599 0.053,600 0.049,601 0.027,602 0.022,603 0.013,604 0.011,605 0.009,606 0.5,607 0.17,608 1,609 0.605,610 144.763,611 0.099,612 -0.034,613 0.168,614 -0.022,615 -0.144,616 0.049,617 0.284,618 0.006,619 0.19,620 0.103,621 0.234,622 0.063,623 0.081,624 -0.272,625 -0.004,626 -0.221,627 0.03,628 -0.152,629 -0.118,630 -0.027,631 -0.025,632 -0.026,633 -0.042,634 -0.002,635 -0.126,636 0.061,637 0.024,638 0.081,639 -0.119,640 0.04,641 0.011,642 0.123,643 0.035,644 0.055,645 -0.013,646 0.112,648 0.077,649 -0.023,650 0.106,651 0.059,652 0.037,653 -0.083,654 -0.124,655 -0.169,656 -0.193,657 -0.048,658 -0.228,659 4.781,660 6.006,661 0.724,662 24.625,663 1.009,664 1.102,665 3.348,666 11.207,667 0.74,668 3.497,669 3.871,670 4.143,671 4.407,672 4.625,673 4.727,674 4.844,675 5.011,676 5.13,677 5.13,678 6.074,679 0.697,680 422.56,681 3.497,682 5.069,683 5.932,684 6.834,685 7.716,686 8.621,687 9.511,688 10.418,689 11.312,690 12.22,691 4.3,696 1,700 1,709 10,713 1,714 6,716 17,721 1,729 1,738 47,739 22,740 2,741 32,743 50,744 22,745 16,746 5,747 7,748 4,752 4,753 5,759 2,768 20,769 2,772 5,776 1,778 3,780 1,781 1,782 3,789 18,790 5,791 1,792 7,793 2,797 2,803 0.75,804 3,822 1,823 3,827 1,845 2,855 3,857 2,859 2,862 29,865 1,871 1,880 1,886 6.4,889 3,893 15.25,894 9.2,895 6.181,896 2.674,898 3.488,899 1.459,900 1.027,901 5.138,902 11.081,903 3.839,904 4.503,905 5.078,906 5.625,907 6.116,908 6.413,909 6.762,910 7.162,911 7.575,912 7.851,913 0.857,914 48,915 11.043,917 5.092,918 7.922,919 20.29,921 17.041,924 2.422,925 70.25,928 1,929 200.109,930 183.293,931 33.191,933 69.458,935 37.085,936 146.208,937 269.567,938 33.191,939 17.65,941 108.219,942 98.116,943 30.679,944 11.771,945 219.615,947 200.109,948 179.399,949 69.458,950 37.085,952 200.109,953 69.458,956 32.83,957 116.325,958 36.051,959 31.278,960 200.109,961 102.648,962 183.293,964 5.807,965 200.109,966 57.424,967 120.062,968 18.011,969 84.638,970 200.109,971 102.648,972 183.293,973 0.597,974 0.35,975 0.185,976 0.098,977 24,978 11,979 0.08,980 4,981 1,982 1.095,983 3.899,984 267.145,985 0.095,986 21,987 136.881,989 1,992 1,993 19.596,994 7.604,995 3.901,997 102.648,998 17.641,1002 1.109,1003 3.979,1005 18.011,1006 486.05,1007 45.5,1011 -3.864,1013 38.401,1015 1.509,1016 4.045,1017 0.324,1020 47.407,1021 51.786,1022 0.303,1023 0.655,1024 0.801,1025 0.91,1026 0.948,1027 0.956,1028 5.095,1029 1.498,1030 5.969,1031 5.305,1032 4.554,1033 5.19,1034 0.278,1035 6.849,1036 4.482,1037 6.362,1038 1.372,1039 7.581,1040 3.761,1041 4.369,1042 5.247,1044 8.054,1045 4.248,1046 7.724,1047 1.057,1048 9.306,1049 3.172,1050 6.26,1051 7.518,1052 0.05,1053 11.119,1054 6.106,1055 9.128,1056 0.871,1057 11.097,1058 2.703,1059 6.878,1060 8.398,1062 13.13,1063 6.654,1064 10.566,1065 0.661,1066 12.933,1067 2.073,1068 8.297,1069 10.177,1070 0.008,1071 15.79,1072 8.044,1073 12.03,1074 0.618,1075 14.798,1076 1.673,1077 9.253,1078 11.418,1080 18.103,1081 8.925,1082 13.513,1083 0.24,1084 16.685,1085 1.372,1086 10.515,1087 13.029,1088 0.001,1089 20.649,1090 10.15,1091 3.412,1092 -0.316,1093 18.589,1094 0.599,1095 11.612,1096 14.432,1098 23.078,1099 11.177,1100 3.176,1101 12.549,1102 20.505,1103 -0.91,1104 12.825,1105 15.988,1107 25.593,1108 12.344,1109 2.856,1110 11.075,1111 22.432,1112 4.767,1113 13.981,1114 17.464,1116 28.069,1117 13.435,1118 2.41,1119 8.906,1120 24.368,1121 4.15,1122 15.181,1123 19.005,1125 30.577,1126 14.584,1127 2.193,1128 7.857,1129 26.31,1130 3.881,1131 16.363,1132 20.517,1134 33.074,1135 15.705,1136 2.054,1137 6.707,1138 28.258,1139 3.159,1140 17.563,1141 22.056,1143 35.585,1144 16.851,1145 1.955,1146 5.741,1147 30.211,1148 3.125,1149 18.758,1150 23.586,1152 38.092,1153 17.987,1154 9487,1155 16582,1156 20.978,1157 34.762,1158 49.736,1159 50.799,1160 49.906,1161 48.68,1162 48.745,1163 67.416,1164 0.8,1165 146.983,1166 46.979,1167 5.774,1168 6.691,1169 6.993,1170 5.481,1171 5.412,1172 7.767,1173 0.8,1174 20.173,1175 5.236,1176 15.249,1177 1.554,1178 1.587,1179 1.56,1180 1.521,1181 1.523,1182 2.107,1183 0.025,1184 4.593,1185 1.468,1186 4.108,1187 4.1,1188 4.787,1189 4.123,1190 7.719,1191 4.028,1192 3.966,1193 3.967,1194 4.028,1195 3.94,1196 7.427,1197 3.899,1198 3.908,1199 3.916,1200 3.96,1201 3.863,1202 6.999,1203 3.854,1204 3.57,1205 3.59,1206 3.852,1207 3.524,1208 4.818,1209 3.461,1210 3.482,1211 3.481,1212 3.447,1213 3.383,1214 4.724,1215 3.345,1216 3.261,1217 3.337,1218 3.086,1219 3.121,1220 4.62,1221 3.1,1222 3.073,1223 3.153,1224 3.006,1225 2.922,1226 4.398,1227 2.904,1228 3.024,1229 3.036,1230 2.895,1231 2.885,1232 4.085,1233 2.887,1234 0.153,1235 0.147,1236 0.229,1237 0.135,1238 0.107,1239 4.89,1240 0.149,1241 4.691,1242 0.013,1243 7.314,1244 0.392,1245 4.33,1246 0.101,1247 3.412,1248 4.767,1249 0.4,1250 12.549,1251 3.236,1252 2.002,1253 1.99,1254 2.076,1255 2.086,1256 1.208,1257 2.089,1258 1.924,1259 1.899,1260 2.031,1261 2.002,1262 1.162,1263 2.017,1264 1.711,1265 1.764,1266 1.665,1267 1.773,1268 0.903,1269 1.836,1270 1.491,1271 1.459,1272 1.646,1273 1.63,1274 0.736,1275 1.639,1276 1.418,1277 1.398,1278 1.609,1279 1.515,1280 0.677,1281 1.561,1282 1.294,1283 1.22,1284 1.427,1285 1.486,1286 0.634,1287 1.534,1288 1.102,1289 1.043,1290 1.237,1291 1.308,1292 0.483,1293 1.351,1294 1.032,1295 1.002,1296 1.158,1297 1.172,1298 0.255,1299 1.188,1300 4.174,1302 5.533,1303 2.398,1304 7.084,1305 4.443,1306 8.727,1307 6.326,1308 10.418,1310 3.95,1317 3.156,1326 32.776,1327 79.145,1328 170.973,1329 209.027,1330 237.556,1331 247.556,1332 249.556,1333 62.937,1334 7.592,1335 75.6,1336 112.22,1337 23,1338 12.739,1339 4.524,1340 3.858,1341 44.375,1342 105,1343 114,1344 0.207,1345 207.866,1346 363.37,1347 498.953,1348 19724,1350 20.596,1351 0.71,1352 0.602,1353 21.199,1354 17.472,1355 13.848,1356 0.433,1357 0.352,1358 9.067,1359 12.405,1360 8.552,1361 7.142,1362 15.123,1363 11.255,1364 13.293,1365 0.283,1366 0.203,1367 15.212,1368 9.538,1369 10.968,1370 0.177,1371 0.117,1372 13.013,1373 7.256,1374 9.117,1375 0.113,1376 0.064,1377 10.941,1378 5.145,1379 7.064,1380 0.07,1381 0.033,1382 8.447,1383 3.318,1384 0.317,1385 98.208,1386 0.218,1387 27.024,1388 0.596,1389 158,1390 472.905,1391 232.928,1392 506.337,1393 688.58,1394 466,1395 188,1396 464.324,1397 265.372,1398 528.348,1399 773.4,1400 494,1401 5.806}
{0 CHEMBL1528824,1 1.694,2 9.667,3 2.548,4 6.491,5 80.597,6 7.793,7 0.545,8 3.725,9 3.837,10 3.311,11 3.142,12 4.972,13 3.169,14 4.175,15 4.347,16 3.595,17 3.422,18 5.397,19 3.441,20 4.245,21 4.401,22 3.63,23 3.505,24 5.477,25 3.511,26 4.316,27 4.506,28 3.535,29 3.462,30 5.496,31 3.431,32 4.366,33 4.592,34 3.264,35 3.366,36 5.483,37 3.305,38 4.185,39 4.459,40 3.1,41 3.254,42 5.156,43 3.14,44 4.021,45 4.285,46 3.06,47 3.101,48 5.032,49 3.036,50 3.851,51 4.066,52 3.109,53 3.037,54 5.007,55 3.019,56 0.123,57 0.54,58 7.246,59 3.005,60 9.936,61 3.774,62 0.39,63 0.752,64 13.721,65 4.411,66 29.115,67 5.78,68 0.399,69 0.832,70 13.788,71 4.466,72 27.532,73 5.933,74 0.34,75 0.818,76 15.724,77 5.088,78 27.874,79 7.272,80 0.628,81 0.779,82 18.646,83 4.372,84 52.044,85 6.409,86 0.345,87 0.672,88 15.662,89 4.596,90 27.656,91 7.289,92 0.31,93 0.576,94 13.287,95 3.564,96 26.909,97 5.621,98 0.288,99 0.51,100 10.342,101 2.964,102 20.773,103 4.315,104 21,105 29,106 0.309,107 0.672,108 0.78,109 0.829,110 0.839,111 0.849,112 3.101,113 0.843,114 -3.22,115 -3.21,116 -3.08,120 37.8,121 1,125 2,143 4,144 1,145 2,147 1,148 1,151 1,156 1,170 1,174 3,176 1,177 6,180 3,182 1,185 3,188 3,189 6,194 1,197 1,201 4,204 1,205 1,206 5,213 1,214 4,217 1,219 1,226 1,227 4,230 1,240 2,243 1,245 1,247 2,251 2,257 2,260 4,263 2,269 1,271 2,274 543,275 14.118,276 14.118,277 14.118,278 14.118,279 14.118,280 12.411,281 16.908,282 8.394,283 14.712,284 10.742,285 10.742,286 10.742,287 10.742,288 10.742,289 8.087,290 18.003,291 3.827,292 11.519,293 3.515,294 1.517,295 0.926,296 0.656,297 0.602,298 0.548,299 3.762,305 1,306 1,307 1,308 416,309 2.828,313 152.182,320 1.524,321 19.58,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47,333 203,334 4.272,335 3.196,336 6.165,337 3.852,338 2.899,339 3.926,340 0.86,341 9.124,342 2.763,343 4.162,344 2.936,345 5.663,346 3.695,347 2.769,348 3.811,349 0.86,350 7.921,351 2.565,352 3.647,353 2.51,354 5.252,355 3.246,356 2.281,357 2.986,359 6.643,360 2.19,361 3.332,362 2.238,363 4.863,364 2.959,365 2.018,366 2.584,368 5.613,369 1.895,370 3.232,371 2.184,372 4.618,373 2.797,374 1.879,375 2.481,377 4.963,378 1.713,379 2.919,380 2.159,381 4.366,382 2.521,383 1.609,384 2.057,386 4.126,387 1.461,388 2.704,389 1.524,390 3.461,391 2.08,392 1.135,393 1.63,395 2.511,396 1.069,397 1.899,398 1.042,399 3.042,400 1.592,401 0.69,402 0.809,404 1.267,405 0.615,406 1.475,407 0.934,408 2.793,409 1.215,410 0.359,411 0.39,413 0.501,414 0.304,415 1.296,416 0.24,417 2.502,418 0.935,424 1,425 -0.039,426 2.382,427 0.572,428 -0.347,429 -0.445,431 -0.891,432 -0.312,433 0.877,434 -0.056,435 2.301,436 0.495,437 -0.436,438 -0.545,440 -0.941,441 -0.406,442 0.689,443 -0.144,444 2.111,445 0.309,446 -0.603,447 -0.717,449 -1.281,450 -0.547,451 0.579,452 -0.546,453 1.731,454 0.132,455 -0.822,456 -1.025,458 -2.136,459 -0.772,460 0.138,461 -0.854,462 1.401,463 -0.13,464 -1.062,465 -1.316,467 -2.686,468 -0.984,469 9.6,470 0.457,471 0.468,472 0.022,473 29.25,474 1.393,475 15.5,476 0.738,477 13.75,478 0.655,479 13.02,480 0.62,481 23.4,482 0.632,483 20.293,484 0.966,485 6.26,486 0.298,487 3.858,488 0.184,489 0.191,491 0.313,496 0.95,497 1.399,498 0.774,499 1.229,500 0.989,501 1.004,502 1.13,503 0.895,504 0.78,505 0.79,506 0.748,507 0.727,508 1.071,509 1.159,510 1.044,511 1.105,512 1.044,513 1.059,514 0.89,515 1.48,516 0.974,517 1.371,518 0.706,519 1.229,520 1.518,521 0.899,522 1.407,523 0.848,524 1.476,525 1.054,526 0.494,527 0.977,528 0.84,529 0.961,530 0.499,531 0.972,532 0.767,533 0.891,534 0.811,535 0.767,536 0.872,537 0.778,538 0.895,539 0.799,540 0.87,541 0.778,542 0.82,543 0.789,544 5,545 0.136,546 1.778,547 1.5,548 1.067,549 0.528,550 0.162,551 0.219,552 0.18,553 0.141,554 4414,555 14183,556 1.968,557 43.2,559 10,561 1,562 2,563 3,567 1.626,568 1.826,569 3.26,570 0.425,571 1,572 1,574 1,575 62.692,576 1.694,577 3.692,578 4.283,579 4.554,580 4.608,581 4.662,582 2.701,583 4.011,584 4.368,585 3.434,586 721.101,587 7.451,588 8047.46,589 1,590 1,592 1,593 192.75,594 1.461,595 4.311,596 0.227,597 0.011,598 0.061,599 0.052,600 0.043,601 0.029,602 0.01,603 0.014,604 0.011,605 0.009,606 0.467,607 0.5,608 1,609 0.988,610 96.947,611 -0.075,612 -0.173,613 0.035,614 -0.131,615 -0.157,616 -0.042,617 -0.036,618 0.18,619 0.157,620 0.207,621 0.103,622 0.212,623 -0.056,624 -0.004,625 -0.156,626 -0.116,627 -0.137,628 -0.147,629 0.031,630 -0.457,631 -0.048,632 -0.367,633 0.141,634 -0.257,635 -0.32,636 0.069,637 -0.389,638 0.03,639 -0.321,640 -0.161,641 0.152,642 -0.052,643 0.138,644 0.008,645 0.134,646 0.059,647 0.012,648 0.053,649 0.184,650 0.172,651 -0.035,652 0.218,653 0.029,654 0.247,655 0.084,656 0.176,657 0.077,658 0.162,659 1.772,660 3.363,661 0.571,662 16.327,663 1.019,664 1.138,665 1.993,666 3.974,667 0.647,668 3.135,669 3.401,670 3.584,671 3.784,672 3.871,673 3.807,674 3.638,675 3.638,676 3.689,677 3.829,678 5.981,679 0.632,680 288.34,681 3.135,682 4.635,683 5.442,684 6.29,685 7.109,686 7.959,687 8.781,688 9.631,689 10.454,690 11.304,691 10.8,696 1,700 1,701 2,709 4,710 2,714 6,716 12,734 1,735 2,738 37,739 13,740 1,741 22,743 38,744 14,745 10,746 3,747 3,748 1,752 2,753 2,755 1,759 1,768 11,769 3,772 1,780 1,781 1,785 1,786 1,789 16,790 7,791 2,792 7,797 4,803 1,804 3,817 1,823 2,855 2,859 3,862 21,868 1,871 1,872 2,886 8.1,888 1,891 2,893 11.5,894 7.55,895 4.861,896 1.853,898 2.761,899 1.438,900 0.903,901 5.087,902 9.071,903 3.401,904 3.97,905 4.489,906 5.016,907 5.464,908 5.577,909 5.622,910 5.862,911 6.176,912 6.673,913 1,914 29,915 7.642,917 3.022,918 7.905,919 14.146,921 10.434,924 2.405,925 50.5,929 164.795,930 95.872,931 68.122,933 64.683,936 95.872,937 229.479,938 68.122,939 30.591,941 37.905,942 114.961,943 55.092,944 1.899,945 153.024,947 164.795,948 163.994,949 64.683,952 164.795,953 64.683,956 30.144,957 73.344,958 60.507,960 164.795,961 132.805,962 95.872,965 164.795,966 18.328,967 77.544,968 17.888,969 114.917,970 164.795,971 132.805,972 95.872,973 0.564,974 0.327,975 0.18,976 0.087,977 12,978 6,979 0.132,980 5,982 1,983 3.359,984 145.588,986 12,987 92.239,993 15.224,994 7.017,995 4.146,997 132.805,998 6.873,999 7.887,1003 2.847,1005 60.572,1006 393.473,1007 29,1015 1.588,1016 4.017,1020 37.691,1021 42.113,1022 0.325,1023 0.709,1024 0.822,1025 0.874,1026 0.884,1027 0.895,1028 4.595,1029 0.69,1030 5.407,1031 2.511,1032 4.078,1033 4.654,1034 1.376,1035 6.142,1036 3.949,1037 5.795,1038 0.359,1039 6.921,1040 1.267,1041 3.611,1042 4.407,1044 6.88,1045 3.424,1046 7.084,1048 8.525,1049 0.501,1050 5.602,1051 6.816,1052 1.159,1053 9.896,1054 5.363,1055 8.406,1056 -0.347,1057 10.18,1059 5.889,1060 7.311,1062 11.401,1063 5.578,1064 9.754,1065 -0.436,1066 11.867,1067 -0.891,1068 7.363,1069 9.217,1070 0.963,1071 13.926,1072 7.017,1073 11.119,1074 -0.603,1075 13.575,1076 -0.941,1077 8.024,1078 10.088,1080 15.786,1081 7.601,1082 12.498,1083 -0.822,1084 15.3,1085 -1.281,1086 9.268,1087 11.752,1088 0.787,1089 18.118,1090 8.812,1091 2.899,1092 -1.062,1093 17.037,1094 -2.136,1095 10.121,1096 12.829,1098 20.15,1099 9.591,1100 2.769,1101 9.124,1102 18.785,1103 -2.686,1104 11.258,1105 14.363,1106 0.634,1107 22.402,1108 10.691,1109 2.281,1110 7.921,1111 20.541,1112 3.926,1113 12.209,1114 15.557,1116 24.518,1117 11.573,1118 2.018,1119 6.643,1120 22.305,1121 3.811,1122 13.297,1123 17.017,1124 0.504,1125 26.737,1126 12.621,1127 1.879,1128 5.613,1129 24.076,1130 2.986,1131 14.297,1132 18.279,1134 28.895,1135 13.557,1136 1.609,1137 4.963,1138 25.852,1139 2.584,1140 15.364,1141 19.696,1142 0.395,1143 31.101,1144 14.579,1145 1.135,1146 4.126,1147 27.632,1148 2.481,1149 16.388,1150 20.997,1152 33.28,1153 15.545,1154 4489,1155 8169,1156 14.216,1157 23.955,1158 31.559,1159 32.31,1160 32.993,1161 31.239,1162 31.278,1163 41.347,1164 3.44,1165 85.337,1166 29.151,1167 4.979,1168 5.196,1169 5.725,1170 4.922,1171 4.899,1172 6.926,1173 1.72,1174 15.378,1175 4.763,1176 11.665,1177 1.435,1178 1.469,1179 1.5,1180 1.42,1181 1.422,1182 1.879,1183 0.156,1184 3.879,1185 1.325,1186 3.948,1187 3.976,1188 3.904,1189 3.852,1190 6.476,1191 3.86,1192 3.852,1193 3.891,1194 3.815,1195 3.683,1196 4.996,1197 3.709,1198 3.403,1199 3.468,1200 3.323,1201 3.151,1202 4.897,1203 3.184,1204 3.247,1205 3.314,1206 3.051,1207 2.954,1208 4.605,1209 2.962,1210 3.192,1211 3.277,1212 3.023,1213 2.933,1214 4.495,1215 2.942,1216 3.101,1217 3.179,1218 2.941,1219 2.84,1220 4.204,1221 2.845,1222 2.863,1223 2.925,1224 2.732,1225 2.666,1226 3.961,1227 2.672,1228 2.756,1229 2.829,1230 2.563,1231 2.599,1232 3.61,1233 2.584,1234 0.194,1235 0.145,1236 0.28,1237 0.175,1238 0.132,1239 4.272,1240 0.178,1241 3.196,1242 0.039,1243 6.165,1244 0.415,1245 3.852,1246 0.126,1247 2.899,1248 3.926,1249 0.86,1250 9.124,1251 2.763,1252 1.893,1253 1.876,1254 1.982,1255 2.015,1256 1.082,1257 2,1258 1.769,1259 1.725,1260 1.881,1261 1.959,1262 0.912,1263 1.936,1264 1.303,1265 1.245,1266 1.583,1267 1.598,1268 0.582,1269 1.585,1270 1.191,1271 1.115,1272 1.575,1273 1.523,1274 0.574,1275 1.539,1276 1.152,1277 1.062,1278 1.456,1279 1.446,1280 0.426,1281 1.465,1282 1.051,1283 0.968,1284 1.316,1285 1.346,1286 0.298,1287 1.346,1288 0.823,1289 0.757,1290 1.094,1291 1.059,1292 0.145,1293 1.063,1294 0.756,1295 0.692,1296 0.976,1297 0.969,1298 0.013,1299 0.989,1300 3.807,1302 5.081,1304 6.55,1306 8.11,1308 9.717,1310 4.903,1314 9.363,1317 2.656,1318 10.367,1326 23.391,1327 62.692,1328 136.611,1329 158.485,1330 168.485,1331 170.485,1332 172.485,1333 29.982,1334 6.31,1335 88.86,1336 88.86,1337 12,1338 11.867,1339 3.807,1340 3,1341 39.569,1342 77,1343 62,1344 0.255,1345 148.951,1346 256.13,1347 355.199,1348 4056,1350 15.242,1351 0.726,1352 0.571,1353 15.242,1354 11.992,1355 10.118,1356 0.46,1357 0.281,1358 6.018,1359 9.473,1360 5.784,1361 4.908,1362 10.118,1363 6.179,1364 8.73,1365 0.301,1366 0.144,1367 8.73,1368 4.176,1369 6.798,1370 0.194,1371 0.075,1372 6.798,1373 2.626,1374 5.768,1375 0.134,1376 0.04,1377 5.768,1378 1.7,1379 3.984,1380 0.085,1381 0.021,1382 3.984,1383 0.967,1384 0.408,1385 65.285,1386 0.265,1387 21.204,1388 0.674,1389 102,1390 376.889,1391 117.354,1392 354.904,1393 477.44,1394 332,1395 115,1396 346.854,1397 129.884,1398 350.936,1399 499.75,1400 324,1401 4.526}
{0 CHEMBL1528835,1 1.239,2 11.952,3 5.808,4 33.731,5 85.885,6 5.969,7 0.286,8 3.911,9 4.042,10 3.235,11 3.421,12 4.908,13 3.345,14 4.472,15 4.68,16 3.477,17 3.785,18 5.358,19 3.654,20 4.804,21 5.078,22 3.556,23 3.883,24 5.688,25 3.73,26 4.787,27 5.052,28 3.548,29 3.812,30 5.959,31 3.659,32 4.736,33 5.009,34 3.226,35 3.731,36 5.636,37 3.545,38 4.64,39 4.94,40 3.081,41 3.645,42 5.384,43 3.431,44 4.534,45 4.83,46 3.01,47 3.551,48 5.286,49 3.343,50 4.44,51 4.732,52 2.94,53 3.458,54 5.222,55 3.257,56 0.063,57 0.614,58 11.905,59 5.293,60 9.245,61 7.151,62 0.087,63 0.976,64 20.137,65 8.5,66 13.535,67 11.878,68 0.224,69 1.175,70 27.555,71 10.199,72 35.942,73 14.635,74 0.557,75 1.114,76 27.744,77 9.63,78 104.9,79 13.858,80 0.336,81 1.038,82 25.903,83 8.96,84 56.993,85 12.883,86 0.232,87 0.958,88 22.838,89 8.401,90 36.825,91 12.226,92 0.204,93 0.866,94 20.557,95 7.586,96 32.012,97 11.021,98 0.193,99 0.785,100 18.791,101 6.861,102 30.586,103 9.95,104 28,105 25,106 0.216,107 0.453,108 0.573,109 0.675,110 0.757,111 0.823,112 3.1,113 1.172,114 -6.29,115 -6.13,116 -5.69,120 36.7,121 1,122 10,143 3,144 1,145 2,158 1,174 12,177 2,182 4,185 13,189 1,194 2,197 10,201 3,204 2,205 1,206 4,209 10,214 2,219 2,222 10,227 1,232 2,235 9,240 1,245 2,247 8,252 1,257 2,260 7,264 1,269 2,271 6,274 641,275 14.132,276 14.132,277 14.132,278 14.132,279 14.132,280 13.183,281 7.954,282 9.153,283 14.168,284 10.333,285 10.333,286 10.333,287 10.333,288 10.333,289 8.924,290 7.342,291 4.335,292 10.408,293 4.376,294 3.022,295 2.331,296 1.748,297 1.28,298 0.903,299 3.743,307 1,308 496,309 3.808,313 83.884,320 1.868,321 24.888,324 0.75,325 0.67,326 0.67,327 0.9,328 1,329 0.67,330 0.5,331 0.74,332 45,333 251,334 4.441,335 3.666,336 6.674,337 4.074,338 3.083,339 4.098,340 1.277,341 10.573,342 3.055,343 3.447,344 2.847,345 4.922,346 3.115,347 2.099,348 2.674,350 5.415,351 2.12,352 3.232,353 2.232,354 4.841,355 2.905,356 1.903,357 2.481,359 5.104,360 1.906,361 2.921,362 1.925,363 3.928,364 2.816,365 1.879,366 1.927,368 3.815,369 1.749,370 2.742,371 1.713,372 3.803,373 2.669,374 1.666,375 1.79,377 3.333,378 1.67,379 2.634,380 1.393,381 3.611,382 2.355,383 1.355,384 1.632,386 2.862,387 1.355,388 2.313,389 1.344,390 3.264,391 2.166,392 1.161,393 1.293,395 2.358,396 1.163,397 1.877,398 1.001,399 2.87,400 1.824,401 0.818,402 0.848,404 1.518,405 0.821,406 1.386,407 0.621,408 2.499,409 1.345,410 0.345,411 0.352,413 0.621,414 0.343,415 1.171,416 0.457,417 2.352,418 0.881,419 -0.085,420 -0.091,422 -0.173,423 -0.081,424 1,425 0.036,426 2.15,427 0.723,428 -0.287,429 -0.333,431 -0.576,432 -0.287,433 0.874,434 -0.047,435 1.84,436 0.588,437 -0.347,438 -0.445,440 -0.757,441 -0.32,442 0.391,443 -0.452,444 1.488,445 0.316,446 -0.707,447 -0.758,449 -1.306,450 -0.72,451 0.046,452 -0.891,453 1.353,454 -0.112,455 -1.135,456 -1.205,458 -2.22,459 -1.152,460 -0.022,461 -1.03,462 1.25,463 -0.318,464 -1.241,465 -1.564,467 -3.002,468 -1.159,469 10,470 0.476,471 0.336,472 0.016,473 19.75,474 0.94,475 8.5,476 0.405,477 11.25,478 0.536,479 20.692,480 0.985,481 25.4,482 0.518,483 11.876,484 0.566,485 3.096,486 0.147,487 7.068,488 0.337,489 0.15,491 0.2,496 0.849,497 1.247,498 1.083,499 1.244,500 0.794,501 1.201,502 0.539,503 1.35,504 1.026,505 1.344,506 0.505,507 1.261,508 0.815,509 1.013,510 0.841,511 0.998,512 0.821,513 0.932,514 0.74,515 1.028,516 0.879,517 1.021,518 0.749,519 0.975,520 1.368,521 0.953,522 1.142,523 0.959,524 1.413,525 1.013,526 0.831,527 0.925,528 0.946,529 0.933,530 0.851,531 0.952,532 0.827,533 0.944,534 0.946,535 0.95,536 0.831,537 0.962,538 0.903,539 0.944,540 0.963,541 0.949,542 0.913,543 0.962,544 2.5,545 0.07,546 1.778,547 1.563,548 0.653,549 0.319,550 0.183,551 0.137,552 0.107,553 0.086,554 4619,555 9485,556 1.893,557 57.1,558 21,559 3,562 2,563 2,567 1.621,568 1.775,569 3.473,570 0.237,575 60.701,576 1.239,577 2.593,578 3.284,579 3.866,580 4.335,581 4.711,582 2.91,583 4.011,584 4.359,585 3.694,586 775.824,587 7.417,588 9152.01,593 275.121,594 1.34,595 4.32,596 0.119,597 0.006,598 0.071,599 0.06,600 0.027,601 0.019,602 0.012,603 0.01,604 0.008,605 0.007,606 0.34,607 0.67,608 0.75,609 2.966,610 99.625,611 -0.072,612 0.065,613 -0.024,614 0.059,615 -0.048,616 0.028,617 0.036,618 -0.188,619 -0.05,620 -0.18,621 0.064,622 -0.133,623 0.039,624 -0.024,625 0.124,626 -0.006,627 0.044,628 0.061,629 0.37,630 -0.058,631 0.12,632 -0.054,633 0.394,634 -0.007,635 -0.157,636 -0.004,637 -0.138,638 -0.016,639 -0.146,640 -0.067,641 -0.039,642 0.014,643 -0.011,644 0.014,645 -0.05,646 0.006,647 -0.034,648 0.003,649 -0.009,650 0.004,651 -0.047,652 0.001,653 -0.046,654 0.003,655 -0.015,656 0.003,657 -0.062,658 -0.001,659 1.839,660 4.973,661 0.286,662 20.549,663 0.987,664 1.131,665 5.06,666 25.599,667 0.613,668 3.091,669 3.258,670 3.401,671 3.526,672 3.466,673 3.332,674 3.178,675 3.135,676 2.996,677 2.944,678 6.965,679 0.562,680 292.46,681 3.091,682 4.533,683 5.303,684 6.107,685 6.901,686 7.723,687 8.53,688 9.364,689 10.181,690 11.024,709 3,714 3,716 6,721 1,734 2,738 49,739 7,740 1,741 21,743 49,744 18,745 6,746 3,747 3,748 1,752 1,753 1,759 1,766 10,768 7,769 11,772 1,778 1,782 1,789 28,790 3,791 2,792 3,803 1,804 3,823 1,855 1,859 1,862 21,868 2,869 10,886 6.1,888 2,889 1,893 11.833,894 8.567,895 5.083,896 3.593,898 1.185,899 1.202,900 0.866,901 8.961,902 7.04,903 3.258,904 3.651,905 4.073,906 4.504,907 4.768,908 4.684,909 4.576,910 4.566,911 4.171,912 4.155,913 0.875,914 26,915 7.86,917 3.161,918 7.817,919 15.286,921 12.03,924 2.317,925 48.667,926 0.001,929 306.049,930 70.918,933 110.512,936 70.918,937 416.56,939 8.825,940 25.345,941 28.429,942 115.645,943 3.186,945 306.049,947 306.049,948 70.918,949 110.512,952 306.049,953 110.512,956 34.171,957 36.748,960 306.049,961 110.512,962 70.918,965 306.049,966 33.664,967 37.254,969 110.512,970 306.049,971 110.512,972 70.918,973 0.538,974 0.301,975 0.157,976 0.069,977 7,978 4,979 0.224,980 11,982 1,983 3.455,984 130.315,986 6,987 86.239,993 17.869,994 10.531,995 6.878,997 110.512,998 4.395,1003 -0.191,1005 85.367,1006 487.479,1007 25,1013 11.973,1017 -0.173,1020 48.352,1021 55.441,1022 0.221,1023 0.462,1024 0.585,1025 0.689,1026 0.772,1027 0.839,1028 4.413,1029 0.818,1030 5.209,1031 2.358,1032 3.932,1033 4.331,1034 1.45,1035 5.9,1036 3.916,1037 5.522,1038 0.345,1039 6.693,1040 1.518,1041 3.219,1042 3.98,1044 6.706,1045 3.17,1046 6.765,1047 -0.085,1048 8.303,1049 0.621,1050 5.371,1051 6.348,1052 1.845,1053 9.848,1054 5.341,1055 8.058,1056 -0.287,1057 9.997,1058 -0.173,1059 5.602,1060 6.949,1062 11.654,1063 5.543,1064 9.399,1065 -0.347,1066 11.75,1067 -0.576,1068 7.155,1069 8.78,1070 2.271,1071 14.291,1072 7.11,1073 10.776,1074 -0.707,1075 13.545,1076 -0.757,1077 7.881,1078 9.816,1080 16.453,1081 7.812,1082 12.18,1083 -1.135,1084 15.37,1085 -1.306,1086 9.178,1087 11.428,1088 2.72,1089 18.916,1090 9.113,1091 3.083,1092 -1.241,1093 17.216,1094 -2.22,1095 10.136,1096 12.66,1098 21.202,1099 10.053,1100 2.099,1101 10.573,1102 19.077,1103 -3.002,1104 11.329,1105 14.173,1106 3.184,1107 23.601,1108 11.243,1109 1.903,1110 5.415,1111 20.949,1112 4.098,1113 12.387,1114 15.495,1116 25.932,1117 12.287,1118 1.879,1119 5.104,1120 22.828,1121 2.674,1122 13.538,1123 16.959,1124 3.658,1125 28.306,1126 13.433,1127 1.666,1128 3.815,1129 24.713,1130 2.481,1131 14.637,1132 18.324,1134 30.655,1135 14.519,1136 1.355,1137 3.333,1138 26.601,1139 1.927,1140 15.773,1141 19.764,1142 4.138,1143 33.019,1144 15.648,1145 1.161,1146 2.862,1147 28.492,1148 1.79,1149 16.887,1150 21.151,1152 35.373,1153 16.752,1154 4885,1155 7289,1156 13.405,1157 30.023,1158 28.557,1159 29.827,1160 29.963,1161 28.712,1162 28.618,1163 34.191,1164 2.555,1165 71.2,1166 28.364,1167 5.4,1168 5.666,1169 6.654,1170 5.074,1171 5.083,1172 7.098,1173 2.555,1174 17.132,1175 5.055,1176 11.635,1177 1.36,1178 1.42,1179 1.427,1180 1.367,1181 1.363,1182 1.628,1183 0.122,1184 3.39,1185 1.351,1186 3.953,1187 3.97,1188 3.905,1189 3.866,1190 7.427,1191 3.873,1192 3.803,1193 3.862,1194 3.642,1195 3.689,1196 6.489,1197 3.669,1198 3.671,1199 3.737,1200 3.505,1201 3.546,1202 6.446,1203 3.526,1204 3.502,1205 3.57,1206 3.334,1207 3.358,1208 4.473,1209 3.341,1210 3.295,1211 3.364,1212 3.114,1213 3.129,1214 4.238,1215 3.115,1216 3.064,1217 3.14,1218 2.897,1219 2.883,1220 4.105,1221 2.866,1222 2.992,1223 3.006,1224 2.85,1225 2.755,1226 3.907,1227 2.78,1228 2.845,1229 2.931,1230 2.625,1231 2.646,1232 3.643,1233 2.622,1234 0.211,1235 0.175,1236 0.318,1237 0.194,1238 0.147,1239 4.441,1240 0.195,1241 3.666,1242 0.061,1243 6.674,1244 0.503,1245 4.074,1246 0.145,1247 3.083,1248 4.098,1249 1.277,1250 10.573,1251 3.055,1252 1.903,1253 1.889,1254 2.074,1255 2.016,1256 1.432,1257 2.026,1258 1.814,1259 1.756,1260 2.003,1261 1.963,1262 1.31,1263 1.985,1264 1.697,1265 1.634,1266 1.941,1267 1.86,1268 1.137,1269 1.894,1270 1.521,1271 1.455,1272 1.809,1273 1.707,1274 1.029,1275 1.745,1276 1.304,1277 1.235,1278 1.62,1279 1.516,1280 0.867,1281 1.553,1282 1.072,1283 0.999,1284 1.411,1285 1.307,1286 0.633,1287 1.343,1288 0.88,1289 0.856,1290 1.212,1291 1.192,1292 0.407,1293 1.15,1294 0.859,1295 0.775,1296 1.099,1297 1.116,1298 0.216,1299 1.149,1300 3.761,1302 4.963,1304 6.358,1306 7.866,1308 9.444,1310 2.222,1314 19.249,1315 11.191,1326 27.52,1327 60.701,1328 127.04,1329 160.901,1330 189.453,1331 212.392,1332 230.856,1333 75.054,1334 5.855,1335 57.53,1336 57.53,1337 6,1338 11.594,1339 3,1340 2.322,1341 54.523,1342 87,1343 100,1344 0.3,1345 176.318,1346 312.51,1347 421.977,1348 2344,1350 15.502,1351 0.738,1352 0.624,1353 15.502,1354 13.106,1355 10.164,1356 0.484,1357 0.391,1358 8.162,1359 9.961,1360 7.965,1361 6.748,1362 10.164,1363 8.206,1364 8.057,1365 0.322,1366 0.227,1367 8.057,1368 5.673,1369 6.053,1370 0.209,1371 0.131,1372 6.053,1373 3.807,1374 4.799,1375 0.145,1376 0.077,1377 4.799,1378 2.535,1379 2.897,1380 0.093,1381 0.051,1382 2.897,1383 1.586,1384 0.497,1385 62.715,1386 0.273,1387 21.905,1388 0.751,1389 92,1390 246.035,1391 98.311,1392 237.306,1393 307.35,1394 218,1395 100,1396 209.697,1397 105.98,1398 212.161,1399 304.04,1400 200,1401 4.221}
{0 CHEMBL1529115,1 1.748,2 9.269,3 1.848,4 3.415,5 100.036,6 9.105,7 0.429,8 3.868,9 3.928,10 3.872,11 3.573,12 4.962,13 3.49,14 4.417,15 4.512,16 4.124,17 3.952,18 5.91,19 3.873,20 4.705,21 4.838,22 4.287,23 4.088,24 5.999,25 3.997,26 4.749,27 4.878,28 4.396,29 4.026,30 6.272,31 3.967,32 4.733,33 4.842,34 4.305,35 3.963,36 6.605,37 3.937,38 4.656,39 4.788,40 4.05,41 3.917,42 6.12,43 3.853,44 4.597,45 4.768,46 3.837,47 3.827,48 5.965,49 3.733,50 4.449,51 4.637,52 3.501,53 3.65,54 5.721,55 3.53,56 0.132,57 0.603,58 10.457,59 5.118,60 32.566,61 4.712,62 0.415,63 0.985,64 18.273,65 8.607,66 95.965,67 8.644,68 0.535,69 1.295,70 30.234,71 11.548,72 115.087,73 10.714,74 0.848,75 1.329,76 31.968,77 11.479,78 171.342,79 10.492,80 1.183,81 1.243,82 28.911,83 10.604,84 247.564,85 9.392,86 0.698,87 1.188,88 26.835,89 9.92,90 121.333,91 8.487,92 0.584,93 1.095,94 27.211,95 10.021,96 103.501,97 9.961,98 0.547,99 0.916,100 21.353,101 8.27,102 105.69,103 8.713,104 37,105 42,106 0.3,107 0.569,108 0.675,109 0.765,110 0.8,111 0.816,112 3.305,113 1.194,114 -3.25,115 -3.24,116 -3.11,120 41.9,121 1,126 2,139 2,143 9,144 2,145 1,159 1,174 11,176 2,180 1,182 2,185 12,189 2,194 2,197 7,200 2,201 9,204 2,206 2,213 6,214 12,217 2,219 3,227 13,232 2,235 2,240 12,245 1,247 6,252 6,260 9,264 4,271 9,274 1052,275 16.687,276 16.687,277 16.687,278 16.687,279 16.687,280 14.296,281 15.146,282 9.589,283 17.279,284 13.797,285 13.797,286 13.797,287 13.797,288 13.797,289 10.004,290 16.656,291 4.56,292 14.752,293 3.678,294 2.11,295 1.489,296 0.965,297 0.762,298 0.669,299 3.976,306 1,307 1,308 508,309 3.536,313 251.905,320 1.213,321 55.996,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 57.5,333 241,334 5.093,335 5.442,336 7.754,337 4.532,338 3.656,339 4.944,340 2.95,341 14.371,342 3.187,343 4.641,344 5.055,345 7.125,346 4.001,347 3.135,348 4.438,349 2.95,350 11.805,351 2.705,352 4.048,353 3.559,354 5.898,355 3.634,356 2.659,357 3.631,358 1.058,359 8.085,360 2.578,361 3.942,362 3.029,363 5.574,364 3.455,365 2.483,366 3.504,368 7.449,369 2.378,370 3.68,371 2.69,372 5.288,373 3.266,374 2.272,375 3.016,377 6.429,378 2.234,379 3.353,380 2.362,381 4.892,382 2.931,383 1.943,384 2.633,386 5.578,387 1.911,388 3.018,389 2.239,390 4.438,391 2.533,392 1.536,393 2.173,395 3.743,396 1.523,397 2.557,398 2.001,399 3.758,400 2,401 1.021,402 1.5,404 2.654,405 1,406 2.5,407 1.361,408 3.486,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.414,418 1.986,419 1,420 1.437,422 2.136,423 0.968,424 1.82,425 1,426 3.367,427 1.479,428 0.497,429 0.621,431 1.246,432 0.485,433 1.406,434 0.743,435 3.247,436 1.095,437 0.118,438 0.142,440 0.287,441 0.114,442 1.111,443 0.617,444 2.754,445 0.713,446 -0.25,447 -0.307,449 -0.707,450 -0.231,451 1,452 0.096,453 2.543,454 0.347,455 -0.677,456 -0.883,458 -1.616,459 -0.686,460 1,461 -0.05,462 2.451,463 0.049,464 -0.917,465 -1.157,467 -2.301,468 -0.775,469 12.733,470 0.49,471 0.967,472 0.037,473 37.25,474 1.433,475 21.5,476 0.827,477 15.75,478 0.606,479 19.209,480 0.739,481 28.067,482 0.653,483 31.189,484 1.2,485 6.991,486 0.269,487 5.214,488 0.201,489 0.17,490 0.131,491 0.236,496 0.41,497 1.11,498 0.862,499 1.212,500 0.628,501 0.891,502 0.56,503 1.103,504 1.011,505 1.108,506 0.567,507 0.971,508 1.092,509 1.122,510 1.007,511 1.065,512 1.12,513 1.009,514 1.048,515 1.153,516 0.996,517 1.176,518 1.195,519 0.959,520 1.214,521 0.994,522 1.056,523 0.969,524 1.164,525 0.861,526 1.643,527 0.982,528 1.261,529 1.002,530 1.506,531 1,532 1.246,533 0.965,534 1.105,535 0.996,536 1.167,537 1.011,538 1.229,539 0.856,540 0.981,541 0.839,542 1.213,543 1.068,544 7.5,545 0.062,546 4,547 3.063,548 2.8,549 1.201,550 0.854,551 0.417,552 0.23,553 0.164,554 6642,555 22100,556 1.974,557 39.5,558 3,559 13,562 1,567 1.699,568 1.793,569 3.097,570 -0.256,571 1,572 1,575 75.174,576 1.748,577 3.317,578 3.937,579 4.461,580 4.665,581 4.758,582 2.563,583 4.162,584 4.67,585 3.264,586 1060.68,587 8.139,588 12640.6,590 1,592 1,593 233.329,594 1.776,595 4.584,596 0.268,597 0.007,598 0.095,599 0.07,600 0.062,601 0.026,602 0.023,603 0.013,604 0.01,605 0.01,606 0.585,607 0.5,608 1,609 0.669,610 123.814,611 0.117,612 0.011,613 0.25,614 -0.02,615 -0.123,616 0.068,617 0.203,618 -0.062,619 -0.026,620 -0.052,621 0.199,622 -0.026,623 -0.139,624 -0.107,625 0.01,626 -0.037,627 -0.166,628 -0.056,629 0.127,630 -0.116,631 0.133,632 -0.103,633 -0.014,634 -0.017,635 0.252,636 0.026,637 -0.023,638 0.023,639 0.34,640 0.014,641 -0.379,642 0.048,643 -0.261,644 -0.023,645 -0.235,646 -0.104,647 -0.203,648 -0.014,649 -0.141,650 -0.038,651 -0.11,652 -0.033,653 -0.229,654 0.043,655 -0.155,656 0.022,657 -0.198,658 -0.088,659 4.948,660 5.727,661 0.692,662 18.84,663 1.022,664 1.109,665 2.02,666 4.081,667 0.713,668 3.367,669 3.761,670 3.989,671 4.29,672 4.564,673 4.443,674 4.522,675 4.554,676 4.564,677 4.511,678 5.392,679 0.679,680 391.5,681 3.367,682 4.949,683 5.802,684 6.725,685 7.61,686 8.536,687 9.438,688 10.364,689 11.276,690 12.203,691 2.3,698 1,709 9,714 3,716 12,738 43,739 18,740 2,741 28,743 45,744 18,745 12,746 3,747 9,748 3,752 3,753 3,759 1,768 15,769 3,772 6,776 2,778 5,782 3,786 1,789 17,790 6,791 1,792 8,793 2,797 1,803 1,804 5,823 3,838 1,845 2,855 3,857 2,859 1,862 26,865 2,869 2,871 1,886 11.6,889 5,893 14.5,894 7.917,895 5.5,896 2.382,898 2.28,899 1.326,900 1.006,901 4.85,902 9.273,903 3.714,904 4.394,905 4.852,906 5.403,907 5.995,908 5.921,909 6.243,910 6.559,911 6.737,912 6.813,913 1,914 44,915 10.381,917 5.35,918 8.282,919 17.963,921 15.476,924 2.782,925 72.333,929 188.338,930 124.937,931 18.011,933 113.771,935 12.092,936 112.845,937 302.108,938 18.011,939 8.825,940 19.81,941 97.378,942 121.577,943 9.128,945 188.338,947 188.338,948 130.856,949 113.771,950 12.092,952 188.338,953 113.771,956 28.635,957 99.119,958 15.193,960 188.338,961 131.782,962 124.937,964 12.092,965 188.338,966 18.733,967 94.111,968 18.011,969 113.771,970 188.338,971 131.782,972 124.937,973 0.602,974 0.341,975 0.185,976 0.116,977 21,978 10,979 0.067,980 3,982 1,983 3.517,984 227.501,986 18,987 110.211,992 2,993 18.529,994 6.806,995 3.807,997 131.782,998 14.589,1003 1.545,1005 18.011,1006 445.056,1007 40,1011 -7.932,1013 62.998,1017 -2.083,1020 43.96,1021 47.707,1022 0.322,1023 0.611,1024 0.726,1025 0.822,1026 0.86,1027 0.877,1028 4.984,1029 1.021,1030 5.883,1031 3.743,1032 4.443,1033 5.081,1034 3.639,1035 6.821,1036 4.306,1037 6.281,1038 1,1039 7.535,1040 2.654,1041 4.443,1042 5.4,1044 8.295,1045 4.125,1046 7.688,1047 1,1048 9.312,1049 2.275,1050 6.24,1051 7.514,1052 5.725,1053 11.366,1054 5.884,1055 9.138,1056 0.497,1057 11.165,1058 2.136,1059 7.004,1060 8.588,1062 13.615,1063 6.425,1064 10.623,1065 0.118,1066 13.068,1067 1.246,1068 8.407,1069 10.311,1070 7.879,1071 16.365,1072 7.764,1073 12.134,1074 -0.25,1075 15.005,1076 0.287,1077 9.473,1078 11.676,1080 18.873,1081 8.614,1082 13.664,1083 -0.677,1084 16.965,1085 -0.707,1086 10.766,1087 13.286,1088 10.041,1089 21.544,1090 9.808,1091 3.656,1092 -0.917,1093 18.942,1094 -1.616,1095 11.956,1096 14.77,1098 24.141,1099 10.804,1100 3.135,1101 14.371,1102 20.932,1103 -2.301,1104 13.225,1105 16.349,1106 12.204,1107 26.794,1108 11.95,1109 2.659,1110 11.805,1111 22.932,1112 4.944,1113 14.465,1114 17.885,1116 29.425,1117 13.018,1118 2.483,1119 8.085,1120 24.94,1121 4.438,1122 15.735,1123 19.459,1124 14.368,1125 32.076,1126 14.152,1127 2.272,1128 7.449,1129 26.953,1130 3.631,1131 16.999,1132 21.018,1134 34.722,1135 15.257,1136 1.943,1137 6.429,1138 28.971,1139 3.504,1140 18.274,1141 22.594,1142 16.532,1143 37.376,1144 16.392,1145 1.536,1146 5.578,1147 30.993,1148 3.016,1149 19.55,1150 24.166,1152 40.029,1153 17.519,1154 6599,1155 12244,1156 17.682,1157 30.665,1158 42.875,1159 47.636,1160 44.483,1161 42.851,1162 42.641,1163 59.082,1164 13.917,1165 132.112,1166 40.164,1167 6.051,1168 7.442,1169 7.556,1170 5.744,1171 5.656,1172 7.944,1173 5.9,1174 22.79,1175 5.187,1176 15.068,1177 1.531,1178 1.701,1179 1.589,1180 1.53,1181 1.523,1182 2.11,1183 0.497,1184 4.718,1185 1.434,1186 4.21,1187 4.164,1188 4.875,1189 4.251,1190 7.725,1191 4.126,1192 3.919,1193 3.948,1194 4.556,1195 3.854,1196 7.703,1197 3.847,1198 3.839,1199 3.855,1200 3.863,1201 3.799,1202 7.427,1203 3.761,1204 3.664,1205 3.566,1206 3.784,1207 3.663,1208 6.999,1209 3.491,1210 3.392,1211 3.425,1212 3.358,1213 3.192,1214 6.999,1215 3.205,1216 3.125,1217 3.193,1218 2.967,1219 2.993,1220 4.77,1221 2.977,1222 2.91,1223 2.967,1224 2.776,1225 2.735,1226 4.738,1227 2.719,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.048,1233 2.715,1234 0.182,1235 0.194,1236 0.277,1237 0.162,1238 0.131,1239 5.093,1240 0.177,1241 5.442,1242 0.105,1243 7.754,1244 0.513,1245 4.532,1246 0.114,1247 3.656,1248 4.944,1249 2.95,1250 14.371,1251 3.187,1252 2.066,1253 2.103,1254 2.043,1255 2.1,1256 1.46,1257 2.163,1258 1.91,1259 1.881,1260 2.023,1261 1.999,1262 1.13,1263 2.014,1264 1.814,1265 1.802,1266 1.786,1267 1.894,1268 1.06,1269 1.931,1270 1.39,1271 1.478,1272 1.563,1273 1.579,1274 0.655,1275 1.595,1276 1.293,1277 1.261,1278 1.375,1279 1.462,1280 0.604,1281 1.522,1282 1.142,1283 1.08,1284 1.181,1285 1.336,1286 0.558,1287 1.363,1288 0.886,1289 0.821,1290 1.181,1291 1.103,1292 0.218,1293 1.118,1294 0.886,1295 0.821,1296 1.117,1297 1.062,1298 0.218,1299 1.107,1300 4.043,1302 5.416,1304 6.987,1306 8.656,1308 10.383,1310 1.875,1315 -1.15,1317 2.492,1326 29.184,1327 75.174,1328 142.619,1329 169.29,1330 191.82,1331 200.574,1332 204.574,1333 80.303,1334 6.993,1335 97.38,1336 114.14,1337 18,1338 12.71,1339 4.248,1340 3.7,1341 43.93,1342 79,1343 106,1344 0.265,1345 186.871,1346 331.93,1347 447.724,1348 8898,1350 18.949,1351 0.729,1352 0.6,1353 19.449,1354 15.601,1355 12.205,1356 0.436,1357 0.398,1358 8.044,1359 10.361,1360 7.531,1361 6.228,1362 13.847,1363 11.143,1364 12.266,1365 0.292,1366 0.24,1367 14.838,1368 10.074,1369 9.217,1370 0.174,1371 0.15,1372 11.38,1373 7.945,1374 7.736,1375 0.107,1376 0.1,1377 10.504,1378 7.205,1379 6.942,1380 0.073,1381 0.063,1382 10.133,1383 5.986,1384 0.399,1385 92.639,1386 0.238,1387 24.424,1388 0.787,1389 140,1390 480.731,1391 224.869,1392 502.18,1393 658.15,1394 454,1395 165,1396 416.025,1397 273.758,1398 487.579,1399 706.78,1400 454,1401 5.2}
{0 CHEMBL1529299,1 1.562,2 9.385,3 3.556,4 12.648,5 95.698,6 7.964,7 0.586,8 3.913,9 4.002,10 3.542,11 3.447,12 5.058,13 3.457,14 4.434,15 4.563,16 3.89,17 3.8,18 5.596,19 3.803,20 4.631,21 4.798,22 3.974,23 3.902,24 5.75,25 3.895,26 4.584,27 4.74,28 3.908,29 3.88,30 5.808,31 3.851,32 4.59,33 4.764,34 3.83,35 3.898,36 5.701,37 3.848,38 4.607,39 4.791,40 3.846,41 3.882,42 5.74,43 3.839,44 4.641,45 4.835,46 3.784,47 3.825,48 5.757,49 3.786,50 4.529,51 4.71,52 3.668,53 3.722,54 5.64,55 3.659,56 0.066,57 0.6,58 7.907,59 4.063,60 6.971,61 4.644,62 0.354,63 0.954,64 15.974,65 6.628,66 29.638,67 7.645,68 0.491,69 1.158,70 21.3,71 7.824,72 34.716,73 9.421,74 0.554,75 1.134,76 19.335,77 7.404,78 47.671,79 8.985,80 0.374,81 1.118,82 19.935,83 8.041,84 38.761,85 9.913,86 0.297,87 1.144,88 20.349,89 8.064,90 32.28,91 10.119,92 0.448,93 1.13,94 22.599,95 8.062,96 47.602,97 9.813,98 0.531,99 0.969,100 19.912,101 7.867,102 44.657,103 9.75,104 8,105 40,106 0.268,107 0.603,108 0.751,109 0.857,110 0.873,111 0.88,112 3.305,113 0.877,114 -3.25,115 -3.23,116 -3.1,120 45.5,121 1,126 3,143 7,144 2,145 4,146 1,147 1,159 1,174 5,176 1,177 8,182 4,185 6,188 1,189 5,194 2,197 4,200 2,201 5,204 4,206 2,209 7,214 2,217 1,219 1,222 5,227 13,232 1,235 6,240 8,247 5,251 3,252 3,260 5,263 3,264 3,271 2,274 1068,275 18.077,276 18.077,277 18.077,278 18.077,279 18.077,280 15.974,281 21.824,282 10.87,283 18.646,284 14.313,285 14.313,286 14.313,287 14.313,288 14.313,289 11.02,290 32.926,291 5.081,292 15.118,293 3.898,294 1.948,295 1.089,296 0.472,297 0.381,298 0.335,299 4.008,305 1,306 1,307 1,308 533,309 3.082,313 238.538,317 202.96,320 1.231,321 26.92,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57,333 244,334 4.612,335 3.694,336 6.796,337 4.178,338 3.197,339 4.524,340 1.674,341 11.198,342 3.134,343 4.272,344 3.261,345 6.182,346 3.857,347 2.913,348 3.915,349 0.86,350 9.224,351 2.745,352 3.989,353 3.081,354 6.007,355 3.577,356 2.592,357 3.485,358 0.86,359 8.429,360 2.545,361 3.596,362 2.539,363 5.35,364 3.241,365 2.298,366 2.904,367 0.4,368 6.866,369 2.157,370 3.279,371 2.191,372 4.979,373 2.821,374 1.86,375 2.59,377 5.478,378 1.779,379 3.078,380 2.121,381 4.413,382 2.573,383 1.618,384 2.305,386 4.362,387 1.54,388 2.923,389 1.828,390 4.323,391 2.53,392 1.618,393 2.061,395 3.978,396 1.469,397 2.791,398 1.784,399 3.687,400 2.328,401 1.405,402 1.886,404 3.018,405 1.307,406 2.483,407 1.691,408 3.618,409 2.322,410 1.358,411 1.482,413 2.964,414 1.275,415 2.349,416 1.386,417 3.571,418 1.909,419 0.94,420 1.287,422 2.305,423 0.905,424 2.093,425 1.043,426 3.181,427 1.836,428 0.866,429 1.012,431 1.611,432 0.828,433 1.92,434 0.941,435 3.091,436 1.592,437 0.688,438 0.822,440 1.478,441 0.616,442 1.478,443 0.468,444 2.85,445 1.104,446 0.159,447 0.199,449 0.4,450 0.149,451 1.02,452 0.247,453 2.482,454 0.607,455 -0.337,456 -0.409,458 -0.763,459 -0.313,460 0.936,461 -0.015,462 2.346,463 0.458,464 -0.503,465 -0.645,467 -1.003,468 -0.479,469 12.133,470 0.467,471 0.5,472 0.019,473 36.25,474 1.394,475 19,476 0.731,477 17.25,478 0.663,479 18.478,480 0.711,481 27.467,482 0.624,483 26.883,484 1.034,485 7.302,486 0.281,487 5.456,488 0.21,489 0.069,491 0.33,496 0.822,497 1.227,498 0.704,499 1.09,500 0.647,501 0.908,502 1.108,503 1.115,504 0.86,505 0.965,506 0.714,507 0.879,508 1.162,509 1.06,510 0.884,511 0.862,512 0.851,513 0.817,514 0.955,515 0.986,516 1.053,517 0.987,518 1.297,519 1.031,520 0.96,521 1.034,522 1.015,523 1.011,524 1.372,525 1.021,526 0.921,527 1.113,528 0.964,529 1.087,530 0.97,531 1.034,532 1.267,533 0.902,534 1.073,535 0.941,536 1.444,537 0.946,538 0.9,539 1.017,540 1.026,541 1.123,542 0.933,543 1.115,544 4,545 0.062,546 2.889,547 1.563,548 1.582,549 0.813,550 0.487,551 0.441,552 0.267,553 0.128,554 7585,555 21208,556 2.148,557 40.9,559 13,561 1,562 1,564 3,567 1.697,568 2.053,569 3.192,570 -0.332,572 1,574 1,575 68.718,576 1.562,577 3.512,578 4.37,579 4.988,580 5.079,581 5.124,582 2.579,583 4.21,584 4.672,585 3.326,586 1081.03,587 8.131,588 13220.9,590 1,592 1,593 240.215,594 1.239,595 4.65,596 0.138,597 0.006,598 0.072,599 0.036,600 0.041,601 0.022,602 0.013,603 0.013,604 0.009,605 0.006,606 0.356,607 0.33,608 1,609 1.008,610 125.038,611 -0.049,612 -0.135,613 0.061,614 -0.083,615 -0.064,616 -0.002,617 -0.04,618 -0.082,619 0.031,620 0.015,621 0.042,622 0.033,623 -0.076,624 -0.032,625 0.071,626 0.095,627 -0.013,628 0.111,629 0.07,630 0.093,631 -0.137,632 -0.044,633 -0.008,634 -0.129,635 -0.088,636 -0.019,637 -0.099,638 -0.028,639 -0.153,640 -0.059,641 -0.081,642 -0.09,643 -0.038,644 -0.115,645 0.016,646 -0.069,647 -0.19,648 0.096,649 -0.08,650 0.015,651 -0.161,652 0.007,653 0.158,654 -0.088,655 -0.043,656 -0.126,657 0.065,658 -0.13,659 2.078,660 5.385,661 0.769,662 20.698,663 1.013,664 1.117,665 2.016,666 4.062,667 0.68,668 3.401,669 3.714,670 4.025,671 4.317,672 4.595,673 4.663,674 4.804,675 4.956,676 5.081,677 5.03,678 5.659,679 0.662,680 350.4,681 3.401,682 4.934,683 5.796,684 6.678,685 7.56,686 8.45,687 9.339,688 10.233,689 11.125,690 12.021,691 4.5,699 1,701 1,708 2,709 8,710 1,714 5,716 17,726 1,729 1,735 2,738 44,739 18,740 2,741 29,743 47,744 20,745 15,746 5,747 7,748 1,752 4,753 6,759 1,768 16,769 4,772 1,778 1,782 1,785 1,786 1,789 18,790 6,791 1,792 6,797 2,803 0.5,804 4,816 1,823 4,827 2,855 2,859 1,862 26,869 3,871 1,872 3,886 9.1,889 1,891 3,893 12.667,894 8.283,895 5.806,896 2.749,898 3.666,899 1.48,900 0.999,901 4.736,902 11.307,903 3.676,904 4.29,905 4.925,906 5.54,907 6.148,908 6.471,909 6.892,910 7.309,911 7.723,912 7.851,913 1,914 43,915 9.606,917 4.096,918 7.763,919 18.202,921 14.758,924 2.263,925 58.833,928 1,929 200.109,930 129.078,931 34.796,933 58.145,936 129.078,937 258.253,938 34.796,939 8.825,940 13.777,941 66.334,942 60.893,943 83.961,945 188.338,947 200.109,948 163.874,949 58.145,952 164.795,953 93.458,956 51.805,957 95.284,958 16.786,960 200.109,961 92.941,962 129.078,965 200.109,966 44.872,967 84.206,968 18.011,969 74.93,970 200.109,971 92.941,972 129.078,973 0.57,974 0.343,975 0.197,976 0.111,977 20,978 8,979 0.106,980 5,981 2,982 1.2,983 3.764,984 227.525,985 0.2,986 20,987 122.211,993 16.824,994 7.319,995 3.394,996 1.633,997 92.941,998 14.785,999 4.371,1003 3.228,1005 18.011,1006 422.127,1007 38.5,1013 12.385,1017 -0.411,1020 44.582,1021 49.156,1022 0.286,1023 0.643,1024 0.801,1025 0.914,1026 0.93,1027 0.939,1028 4.9,1029 1.405,1030 5.765,1031 3.978,1032 4.394,1033 4.977,1034 2.291,1035 6.586,1036 4.301,1037 6.101,1038 1.358,1039 7.323,1040 3.018,1041 3.892,1042 4.796,1044 7.506,1045 3.797,1046 7.412,1047 0.94,1048 8.987,1049 2.964,1050 5.984,1051 7.229,1052 2.942,1053 10.642,1054 5.823,1055 8.764,1056 0.866,1057 10.714,1058 2.305,1059 6.347,1060 7.914,1062 12.42,1063 6.186,1064 10.152,1065 0.688,1066 12.483,1067 1.611,1068 7.873,1069 9.802,1070 3.844,1071 15.062,1072 7.661,1073 11.564,1074 0.159,1075 14.281,1076 1.478,1077 8.648,1078 10.897,1080 17.19,1081 8.429,1082 12.997,1083 -0.337,1084 16.099,1085 0.4,1086 9.937,1087 12.558,1088 4.834,1089 19.667,1090 9.681,1091 3.197,1092 -0.503,1093 17.932,1094 -0.763,1095 10.908,1096 13.855,1098 21.946,1099 10.638,1100 2.913,1101 11.198,1102 19.776,1103 -1.003,1104 12.1,1105 15.417,1106 5.853,1107 24.369,1108 11.803,1109 2.592,1110 9.224,1111 21.63,1112 4.524,1113 13.161,1114 16.814,1116 26.715,1117 12.847,1118 2.298,1119 8.429,1120 23.491,1121 3.915,1122 14.318,1123 18.336,1124 6.88,1125 29.123,1126 13.981,1127 1.86,1128 6.866,1129 25.358,1130 3.485,1131 15.422,1132 19.783,1134 31.501,1135 15.067,1136 1.618,1137 5.478,1138 27.231,1139 2.904,1140 16.566,1141 21.289,1142 7.91,1143 33.906,1144 16.192,1145 1.618,1146 4.362,1147 29.108,1148 2.59,1149 17.691,1150 22.762,1152 36.301,1153 17.3,1154 7200,1155 12167,1156 19.879,1157 29.921,1158 43.209,1159 44.562,1160 44.372,1161 42.992,1162 43.027,1163 56.944,1164 7.589,1165 122.624,1166 40.9,1167 5.556,1168 5.694,1169 6.565,1170 5.318,1171 5.197,1172 7.524,1173 3.349,1174 18.564,1175 5.134,1176 9.204,1177 1.49,1178 1.537,1179 1.53,1180 1.482,1181 1.484,1182 1.964,1183 0.262,1184 4.228,1185 1.41,1186 4.095,1187 4.12,1188 4.063,1189 4.016,1190 7.433,1191 4.024,1192 3.922,1193 3.936,1194 3.876,1195 3.821,1196 5.006,1197 3.83,1198 3.618,1199 3.64,1200 3.549,1201 3.458,1202 4.924,1203 3.473,1204 3.479,1205 3.534,1206 3.347,1207 3.27,1208 4.476,1209 3.275,1210 3.401,1211 3.461,1212 3.243,1213 3.23,1214 4.402,1215 3.223,1216 3.058,1217 3.127,1218 2.969,1219 2.89,1220 4.334,1221 2.899,1222 3.025,1223 3.045,1224 2.922,1225 2.787,1226 4.214,1227 2.816,1228 2.893,1229 2.933,1230 2.781,1231 2.733,1232 3.959,1233 2.734,1234 0.159,1235 0.127,1236 0.234,1237 0.144,1238 0.11,1239 4.612,1240 0.156,1241 3.694,1242 0.058,1243 6.796,1244 0.386,1245 4.178,1246 0.108,1247 3.197,1248 4.524,1249 1.674,1250 11.198,1251 3.134,1252 2.044,1253 2.022,1254 2.11,1255 2.137,1256 1.235,1257 2.129,1258 1.876,1259 1.86,1260 1.971,1261 2.006,1262 1.097,1263 1.993,1264 1.553,1265 1.527,1266 1.808,1267 1.776,1268 0.939,1269 1.779,1270 1.441,1271 1.38,1272 1.689,1273 1.666,1274 0.918,1275 1.675,1276 1.396,1277 1.338,1278 1.6,1279 1.574,1280 0.683,1281 1.59,1282 1.014,1283 0.955,1284 1.218,1285 1.23,1286 0.253,1287 1.227,1288 0.905,1289 0.879,1290 1.137,1291 1.198,1292 0.192,1293 1.151,1294 0.857,1295 0.818,1296 1.064,1297 1.076,1298 0.126,1299 1.084,1300 4.078,1302 5.389,1304 6.921,1306 8.555,1308 10.243,1310 1.778,1315 1.361,1317 3.329,1318 16.375,1326 29.116,1327 68.718,1328 154.524,1329 192.299,1330 219.46,1331 223.46,1332 225.46,1333 38.031,1334 7.641,1335 69.68,1336 69.68,1337 24,1338 12.547,1339 4.248,1340 3.392,1341 37.747,1342 84,1343 92,1344 0.212,1345 176.271,1346 305.82,1347 421.86,1348 22264,1350 17.933,1351 0.69,1352 0.551,1353 17.933,1354 14.32,1355 12.758,1356 0.44,1357 0.292,1358 8.328,1359 12.154,1360 8.175,1361 6.732,1362 12.758,1363 8.475,1364 11.099,1365 0.277,1366 0.144,1367 11.099,1368 5.768,1369 9.667,1370 0.176,1371 0.074,1372 9.667,1373 4.082,1374 8.392,1375 0.113,1376 0.039,1377 8.392,1378 2.905,1379 7.047,1380 0.072,1381 0.021,1382 7.047,1383 2.036,1384 0.323,1385 80.715,1386 0.224,1387 24.664,1388 0.611,1389 138,1390 450.92,1391 154.728,1392 420.708,1393 580.55,1394 398,1395 164,1396 429.718,1397 180.843,1398 427.796,1399 634.2,1400 405,1401 5.222}
{0 CHEMBL1529455,1 1.886,2 7.947,3 4.722,4 22.294,5 81.217,6 10.169,7 0.55,8 3.53,9 3.621,10 3.416,11 3.221,12 4.689,13 3.148,14 4.022,15 4.169,16 3.863,17 3.575,18 5.176,19 3.486,20 4.183,21 4.347,22 4.001,23 3.674,24 5.372,25 3.539,26 4.122,27 4.259,28 3.933,29 3.595,30 5.432,31 3.457,32 4,33 4.129,34 3.71,35 3.43,36 5.375,37 3.302,38 4.049,39 4.233,40 3.362,41 3.327,42 5.228,43 3.194,44 3.888,45 4.097,46 3.456,47 3.245,48 5.06,49 3.133,50 3.766,51 3.965,52 3.141,53 3.13,54 4.791,55 2.953,56 0.064,57 0.424,58 3.189,59 2.624,60 4.475,61 3.124,62 0.153,63 0.681,64 10.169,65 4.934,66 12.163,67 5.505,68 0.338,69 0.776,70 21.52,71 6.217,72 24.077,73 6.254,74 0.344,75 0.712,76 21.087,77 6.216,78 34.358,79 6.005,80 0.276,81 0.595,82 16.189,83 5.629,84 36.719,85 5.441,86 0.359,87 0.64,88 20.104,89 6.445,90 46.679,91 5.9,92 0.267,93 0.513,94 13.045,95 4.394,96 29.47,97 5.483,98 0.167,99 0.439,100 10.544,101 3.94,102 14.002,103 5.085,104 27,105 28,106 0.358,107 0.671,108 0.809,109 0.87,110 0.87,111 0.87,112 3.01,113 1.095,114 -4.66,115 -4.57,116 -4.3,120 41.9,121 2,126 1,143 4,145 3,147 1,153 1,159 1,167 1,174 1,177 5,185 6,188 1,189 4,197 7,200 1,201 2,209 3,214 6,222 5,227 4,235 3,240 4,247 2,252 1,260 7,264 1,274 409,275 12.386,276 12.386,277 12.386,278 12.386,279 12.386,280 10.819,281 12.653,282 7.152,283 12.944,284 9.777,285 9.777,286 9.777,287 9.777,288 9.777,289 7.354,290 10.06,291 3.303,292 10.742,293 3.069,294 1.419,295 0.694,296 0.371,297 0.371,298 0.371,299 3.658,303 2,306 1,307 1,308 309,309 2.828,312 56.013,313 65.333,320 1.119,321 20.356,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 40.667,333 151,334 4.43,335 4.756,336 6.504,337 4.024,338 3.075,339 4.088,340 3.973,341 10.169,342 2.915,343 4.22,344 3.623,345 6.063,346 3.735,347 2.836,348 3.875,350 8.741,351 2.486,352 3.596,353 2.96,354 5.178,355 3.162,356 2.242,357 2.897,359 6.263,360 2.058,361 3.39,362 2.849,363 4.934,364 2.917,365 2.027,366 2.672,368 5.654,369 1.738,370 3.095,371 2.466,372 4.722,373 2.741,374 1.796,375 2.238,377 4.923,378 1.637,379 2.823,380 2.123,381 4.187,382 2.33,383 1.427,384 1.947,386 3.719,387 1.223,388 2.361,389 1.557,390 3.777,391 1.862,392 0.905,393 1.248,395 2.465,396 0.842,397 1.567,398 1.29,399 2.88,400 1.322,401 0.336,402 0.385,404 0.57,405 0.331,406 1.498,407 0.967,408 2.642,409 1.073,410 0.235,411 0.293,413 0.471,414 0.172,415 0.805,416 0.377,417 2.359,418 0.281,419 -0.514,420 -0.621,422 -1.242,423 -0.293,424 0.71,425 0.256,426 2.157,427 0.244,428 -0.665,429 -0.805,431 -1.689,432 -0.508,433 0.478,434 -0.13,435 2,436 0.185,437 -0.75,438 -0.897,440 -1.727,441 -0.732,442 0.299,443 -0.363,444 1.65,445 -0.011,446 -1,447 -1.251,449 -2.479,450 -0.979,451 0.071,452 -0.803,453 1.374,454 -0.457,455 -1.223,456 -1.642,458 -3.277,459 -1.044,460 -0.226,461 -1.11,462 1.243,463 -0.658,464 -1.507,465 -1.939,467 -4.043,468 -1.162,469 9.895,470 0.521,471 0.579,472 0.03,473 23.5,474 1.237,475 12,476 0.632,477 11.5,478 0.605,479 15.875,480 0.836,481 20.105,482 0.649,483 14.603,484 0.769,485 4.493,486 0.236,487 4.514,488 0.238,489 0.279,491 0.344,496 0.527,497 1.06,498 0.552,499 0.764,500 0.547,501 0.802,502 0.694,503 1.186,504 0.59,505 0.778,506 0.552,507 0.712,508 1.109,509 0.874,510 0.991,511 0.839,512 0.911,513 0.803,514 1.155,515 1.037,516 1.083,517 1.162,518 1.278,519 1.02,520 1.128,521 1.248,522 0.847,523 1.199,524 1.578,525 1.15,526 1.448,527 1.087,528 1.056,529 1.159,530 2.06,531 1.004,532 0.575,533 0.875,534 0.681,535 0.716,536 0.388,537 0.84,538 0.671,539 1.095,540 0.946,541 1.03,542 0.48,543 1.295,544 5,546 2.444,547 1.757,548 1.388,549 0.396,550 0.38,551 0.287,552 0.129,553 0.096,554 2927,555 11124,556 1.935,557 38.7,559 6,563 3,564 3,567 1.604,568 1.754,569 2.996,570 -0.672,575 58.455,576 1.886,577 3.535,578 4.26,579 4.583,580 4.583,581 4.583,582 2.439,583 4.037,584 4.222,585 3.111,586 531.912,587 7.196,588 5231.32,590 1,593 153.58,594 1.568,595 4.14,596 0.25,598 0.087,599 0.065,600 0.058,601 0.02,602 0.022,603 0.017,604 0.012,605 0.019,606 0.55,607 0.33,608 1,609 0.954,610 82.076,611 0.046,612 0.019,613 0.019,614 0.021,615 -0.056,616 -0.003,617 0.027,618 -0.116,619 0.16,620 0.122,621 0.074,622 0.179,623 -0.121,624 0.236,625 0.03,626 0.18,627 -0.068,628 0.116,629 -0.028,630 0.024,631 -0.036,632 -0.073,633 0.004,634 -0.096,635 0.011,636 -0.283,637 0.002,638 -0.186,639 0.043,640 -0.233,641 -0.244,642 -0.084,643 -0.174,644 -0.071,645 -0.359,646 -0.027,647 0.24,648 0.042,649 0.153,650 0.084,651 0.249,652 0.134,653 0.036,654 -0.227,655 -0.083,656 -0.229,657 -0.016,658 -0.315,659 1.744,660 5.255,661 0.579,662 11.972,663 1.018,664 1.113,665 3.426,666 11.737,667 0.755,668 3.045,669 3.367,670 3.584,671 3.807,672 3.892,673 3.738,674 3.664,675 3.714,676 3.664,677 3.584,678 4.844,679 0.702,680 315.24,681 3.045,682 4.575,683 5.407,684 6.282,685 7.135,686 8.009,687 8.869,688 9.741,689 10.604,690 11.476,691 6.5,699 1,701 1,709 4,710 1,714 5,715 1,716 11,727 1,737 2,738 31,739 12,740 1,741 20,743 32,744 13,745 9,746 3,747 3,748 1,752 2,753 2,754 2,759 2,768 10,769 3,772 1,778 1,782 1,789 12,790 2,792 6,793 3,797 2,803 1,804 1,814 1,822 1,823 1,855 2,857 1,859 2,860 2,862 19,869 1,873 1,885 2,886 3.2,889 1,893 10.833,894 6.352,895 4.25,896 1.923,898 1.997,899 1.328,900 0.956,901 4.686,902 8.093,903 3.314,904 3.927,905 4.456,906 4.983,907 5.304,908 5.269,909 5.278,910 5.595,911 5.837,912 6.061,913 1,914 27,915 6.988,917 2.89,918 7.898,919 13.094,921 10.293,924 2.398,925 45.556,926 0.001,929 141.253,930 107.445,931 18.44,932 78.297,933 25.145,935 32.22,936 75.225,937 244.695,938 18.44,939 17.65,940 2.106,941 37.905,942 45.307,943 13.085,944 2.757,945 173.473,946 78.297,947 141.253,948 93.665,949 25.145,950 110.517,952 105.94,953 60.458,956 24.289,957 52.712,958 94.96,959 32.22,960 141.253,961 43.585,962 185.742,965 141.253,966 51.889,967 57.332,969 120.105,970 141.253,971 43.585,972 185.742,973 0.584,974 0.344,975 0.185,976 0.097,977 13,978 7,979 0.125,980 4,982 1,983 3.036,984 133.396,986 11,987 80.711,989 1,993 14.601,994 6.098,995 3.395,997 41.808,998 6.863,999 4.257,1003 3.128,1004 1.689,1006 370.58,1007 26.5,1013 12.255,1017 -0.077,1020 31.556,1021 34.505,1022 0.381,1023 0.714,1024 0.86,1025 0.925,1026 0.925,1027 0.925,1028 4.541,1029 0.336,1030 5.416,1031 2.465,1032 4.043,1033 4.61,1034 3.483,1035 6.221,1036 3.86,1037 5.772,1038 0.235,1039 6.982,1040 0.57,1041 3.761,1042 4.543,1044 7.111,1045 3.424,1046 7.091,1047 -0.514,1048 8.642,1049 0.471,1050 5.638,1051 6.815,1052 6.213,1053 10.175,1054 5.304,1055 8.445,1056 -0.665,1057 10.354,1058 -1.242,1059 6.111,1060 7.507,1062 11.859,1063 5.641,1064 9.824,1065 -0.75,1066 12.099,1067 -1.689,1068 7.514,1069 9.291,1070 8.97,1071 14.452,1072 7.04,1073 11.223,1074 -1,1075 13.868,1076 -1.727,1077 8.33,1078 10.336,1080 16.481,1081 7.747,1082 12.638,1083 -1.223,1084 15.654,1085 -2.479,1086 9.548,1087 11.915,1088 11.729,1089 18.897,1090 8.947,1091 3.075,1092 -1.507,1093 17.455,1094 -3.277,1095 10.522,1096 13.133,1098 21.079,1099 9.835,1100 2.836,1101 10.169,1102 19.266,1103 -4.043,1104 11.668,1105 14.616,1106 14.488,1107 23.426,1108 10.95,1109 2.242,1110 8.741,1111 21.086,1112 4.088,1113 12.713,1114 15.92,1116 25.676,1117 11.926,1118 2.027,1119 6.263,1120 22.914,1121 3.875,1122 13.832,1123 17.357,1124 17.247,1125 27.997,1126 13.007,1127 1.796,1128 5.654,1129 24.747,1130 2.897,1131 14.91,1132 18.704,1134 30.278,1135 14.026,1136 1.427,1137 4.923,1138 26.586,1139 2.672,1140 16.02,1141 20.12,1142 20.005,1143 32.59,1144 15.094,1145 0.905,1146 3.719,1147 28.428,1148 2.238,1149 17.114,1150 21.488,1152 34.886,1153 16.135,1154 3036,1155 6064,1156 12.542,1157 23.398,1158 30.113,1159 33.933,1160 31.69,1161 30.04,1162 29.755,1163 39.287,1164 7.945,1165 85.951,1166 26.803,1167 5.273,1168 6.756,1169 6.028,1170 5.158,1171 5.075,1172 7.088,1173 7.945,1174 16.991,1175 4.915,1176 11.574,1177 1.506,1178 1.697,1179 1.585,1180 1.502,1181 1.488,1182 1.964,1183 0.397,1184 4.298,1185 1.34,1186 3.991,1187 4.038,1188 4.181,1189 3.91,1190 7.427,1191 3.886,1192 3.871,1193 3.887,1194 3.948,1195 3.769,1196 5.011,1197 3.784,1198 3.388,1199 3.475,1200 3.676,1201 3.223,1202 4.889,1203 3.197,1204 3.241,1205 3.254,1206 3.491,1207 3.173,1208 4.626,1209 3.108,1210 2.913,1211 2.965,1212 3.171,1213 2.827,1214 4.089,1215 2.795,1216 2.876,1217 2.921,1218 3.004,1219 2.777,1220 4.007,1221 2.747,1222 2.726,1223 2.745,1224 2.691,1225 2.497,1226 3.65,1227 2.486,1228 2.451,1229 2.577,1230 2.388,1231 2.162,1232 3.407,1233 2.142,1234 0.222,1235 0.238,1236 0.325,1237 0.201,1238 0.154,1239 4.43,1240 0.204,1241 4.756,1242 0.199,1243 6.504,1244 0.508,1245 4.024,1246 0.146,1247 3.075,1248 4.088,1249 3.973,1250 10.169,1251 2.915,1252 1.867,1253 1.86,1254 1.894,1255 1.914,1256 1.07,1257 1.933,1258 1.648,1259 1.605,1260 1.858,1261 1.871,1262 1.034,1263 1.866,1264 1.556,1265 1.488,1266 1.77,1267 1.719,1268 0.857,1269 1.739,1270 1.232,1271 1.187,1272 1.421,1273 1.45,1274 0.523,1275 1.463,1276 0.873,1277 0.845,1278 1.101,1279 1.056,1280 0.179,1281 1.072,1282 0.853,1283 0.824,1284 1.074,1285 1.019,1286 0.16,1287 1.06,1288 0.69,1289 0.562,1290 0.856,1291 0.937,1292 0.099,1293 0.977,1294 0.516,1295 0.496,1296 0.743,1297 0.768,1299 0.774,1300 3.714,1302 5.03,1303 2.398,1304 6.526,1305 4.727,1306 8.106,1307 6.804,1308 9.728,1310 3.812,1311 11.889,1315 0.657,1319 1.085,1326 21.761,1327 58.455,1328 109.58,1329 132.07,1330 142.07,1331 142.07,1332 142.07,1333 35.3,1334 6.096,1335 34.89,1336 60.19,1337 11,1338 12.019,1339 3.7,1340 2.907,1341 33.622,1342 55,1343 52,1344 0.31,1345 148.501,1346 250.82,1347 354.103,1348 2795,1349 6.5,1350 13.991,1351 0.736,1352 0.674,1353 15.345,1354 12.812,1355 9.007,1356 0.45,1357 0.365,1358 5.805,1359 7.726,1360 5.45,1361 4.537,1362 9.993,1363 7.299,1364 8.277,1365 0.296,1366 0.207,1367 9.758,1368 5.809,1369 6.524,1370 0.186,1371 0.118,1372 7.991,1373 4.138,1374 5.342,1375 0.121,1376 0.067,1377 6.809,1378 2.946,1379 4.006,1380 0.083,1381 0.043,1382 5.405,1383 2.08,1384 0.473,1385 66.037,1386 0.282,1387 18.85,1388 0.881,1389 96,1390 316.293,1391 160.344,1392 387.454,1393 502.91,1394 358,1395 111,1396 305.271,1397 164.876,1398 343.213,1399 501.29,1400 322,1401 4.828}
{0 CHEMBL1529709,1 1.477,2 11,3 4.083,4 16.668,5 85.41,6 7.24,7 0.545,8 3.731,9 3.85,10 3.255,11 3.298,12 4.916,13 3.263,14 4.191,15 4.357,16 3.551,17 3.644,18 5.407,19 3.581,20 4.435,21 4.638,22 3.57,23 3.75,24 5.536,25 3.656,26 4.515,27 4.767,28 3.369,29 3.623,30 5.586,31 3.498,32 4.34,33 4.622,34 3.09,35 3.398,36 5.286,37 3.256,38 4.017,39 4.284,40 3.026,41 3.225,42 4.981,43 3.103,44 3.879,45 4.076,46 3.04,47 3.193,48 5.086,49 3.103,50 3.94,51 4.193,52 2.911,53 3.157,54 4.948,55 3.047,56 0.057,57 0.531,58 7.993,59 3.655,60 9.659,61 4.704,62 0.151,63 0.808,64 13.511,65 5.771,66 34.479,67 7.835,68 0.087,69 1.002,70 18.006,71 7.187,72 24.613,73 9.963,74 0.201,75 1.019,76 21.194,77 7.258,78 44.491,79 10.344,80 0.211,81 0.835,82 18.407,83 6.066,84 38.987,85 8.841,86 0.185,87 0.626,88 12.778,89 4.686,90 21.865,91 6.904,92 0.181,93 0.565,94 10.448,95 3.933,96 28.171,97 5.46,98 0.112,99 0.597,100 11.612,101 3.992,102 19.81,103 5.813,104 21,105 29,106 0.264,107 0.597,108 0.701,109 0.774,110 0.793,111 0.793,112 3.101,113 0.925,114 -5.12,115 -5.01,116 -4.7,120 43.6,121 2,123 1,143 8,144 3,145 1,156 1,159 1,168 1,170 1,172 1,174 13,175 1,177 2,180 1,182 3,185 15,186 2,189 6,194 5,197 11,198 2,201 6,206 5,209 5,214 2,219 2,220 1,222 4,227 1,228 1,230 1,231 1,232 1,235 6,239 1,240 2,243 1,245 1,247 9,257 2,260 8,261 1,264 1,269 1,271 6,272 2,274 564,275 13.845,276 13.845,277 13.845,278 13.845,279 13.845,280 12.095,281 12.222,282 8.248,283 13.918,284 10.818,285 10.818,286 10.818,287 10.818,288 10.818,289 8.19,290 7.092,291 3.881,292 10.928,293 3.809,294 1.953,295 1.372,296 0.962,297 0.859,298 0.859,299 3.762,305 1,306 1,307 1,308 474,309 3.317,313 156.553,320 1.714,321 17.204,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 45,333 231,334 4.168,335 3.576,336 5.93,337 3.789,338 2.791,339 3.759,340 1.437,341 8.23,342 2.784,343 4.119,344 2.994,345 5.929,346 3.777,347 2.778,348 3.706,350 8.224,351 2.767,352 3.738,353 2.681,354 5.327,355 3.398,356 2.414,357 3.068,359 6.865,360 2.376,361 3.639,362 2.479,363 5.268,364 3.301,365 2.313,366 2.951,368 6.706,369 2.276,370 2.882,371 1.946,372 3.832,373 2.4,374 1.414,375 1.899,377 3.157,378 1.385,379 2.703,380 1.597,381 3.783,382 2.264,383 1.264,384 1.662,386 2.956,387 1.253,388 2.5,389 1.17,390 3.414,391 2,392 1,393 1.5,395 2.285,396 1,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.385,407 1,408 3.367,409 1.982,410 1,411 1.322,413 2.275,414 0.976,415 1.409,416 0.496,417 2.667,418 1.069,419 0.093,420 0.116,422 0.222,423 0.09,424 0.956,425 0.267,426 2,427 0.576,428 -0.414,429 -0.526,431 -0.942,432 -0.407,433 0.638,434 -0.285,435 2,436 0.189,437 -0.803,438 -1,440 -1.81,441 -0.785,442 0.5,443 -0.635,444 2,446 -1,447 -1.057,449 -2,450 -0.974,451 0.5,452 -1,453 1.814,455 -1,456 -1.356,458 -2,459 -1,460 0.411,461 -1,462 1.592,464 -1,465 -1.5,467 -3,468 -1,469 9.967,470 0.475,471 0.527,472 0.025,473 27.5,474 1.31,475 15.5,476 0.738,477 12,478 0.571,479 14.069,480 0.67,481 22.433,482 0.575,483 18.628,484 0.887,485 5.574,486 0.265,487 4.485,488 0.214,489 0.167,491 0.301,496 0.751,497 0.99,498 0.846,499 0.973,500 0.756,501 0.932,502 0.477,503 1.107,504 0.83,505 1.029,506 0.392,507 0.984,508 0.722,509 1.285,510 1.004,511 1.209,512 0.623,513 1.154,514 1.039,515 1.157,516 1.074,517 1.082,518 0.945,519 1.077,520 0.994,521 0.926,522 0.97,523 0.86,524 0.928,525 0.895,526 0.308,527 0.848,528 0.708,529 0.812,530 0.319,531 0.815,532 0.743,533 1.087,534 1.054,535 1.059,536 0.787,537 1.097,538 0.808,539 0.887,540 1,541 0.891,542 0.563,543 0.933,544 4.5,545 0.099,546 2.444,547 0.875,548 0.684,549 0.653,550 0.284,551 0.118,552 0.131,553 0.182,554 4782,555 13142,556 1.968,557 46.2,558 7,559 8,561 1,562 2,567 1.621,568 1.826,569 3.427,570 0.284,572 1,575 57.585,576 1.477,577 3.332,578 3.913,579 4.324,580 4.426,581 4.426,582 2.869,583 2.869,584 4.364,585 3.604,586 756.901,587 7.419,588 8636.25,590 1,591 1,592 1,593 206.131,594 1.461,595 4.311,596 0.205,597 0.008,598 0.084,599 0.031,600 0.033,601 0.041,602 0.018,603 0.007,604 0.009,605 0.015,606 0.451,607 0.33,608 1,609 0.988,610 98.464,611 -0.004,612 0.153,613 0.006,614 0.075,615 -0.098,616 0.043,617 0.2,618 -0.034,619 0.052,620 0.002,621 0.246,622 0.007,623 -0.02,624 -0.254,625 -0.091,626 -0.213,627 0.032,628 -0.171,629 -0.085,630 -0.179,631 -0.085,632 -0.14,633 -0.049,634 -0.117,635 -0.082,636 0.024,637 0.041,638 0.073,639 -0.093,640 0.076,641 0.308,642 0.128,643 0.254,644 0.159,645 0.183,646 0.188,647 0.167,648 -0.033,649 -0.117,650 -0.083,651 0.06,652 -0.141,653 -0.089,654 0.159,655 -0.04,656 0.049,657 -0.008,658 0.03,659 2.602,660 3.737,661 0.571,662 18.966,663 0.998,664 1.121,665 3.889,666 15.127,667 0.667,668 3.135,669 3.401,670 3.555,671 3.638,672 3.807,673 3.807,674 3.714,675 3.497,676 3.611,677 3.807,678 6.563,679 0.633,680 282.37,681 3.135,682 4.635,683 5.434,684 6.26,685 7.074,686 7.901,687 8.719,688 9.546,689 10.365,690 11.192,691 5.1,696 1,700 1,709 8,714 4,716 12,725 1,738 39,739 14,740 2,741 22,743 40,744 17,745 12,746 4,747 8,748 2,752 2,753 2,755 1,759 2,768 14,769 3,770 1,772 2,778 1,780 1,781 1,782 1,786 1,789 18,790 4,791 2,792 4,797 2,803 1,804 2,823 2,853 1,855 2,859 2,862 21,868 1,871 1,874 1,886 5.1,888 1,889 1,893 11.5,894 7.4,895 4.722,896 2.278,898 2.837,899 1.45,900 0.924,901 4.989,902 9.143,903 3.434,904 3.97,905 4.472,906 4.933,907 5.439,908 5.56,909 5.763,910 5.763,911 6.116,912 6.66,913 1,914 28,915 7.698,917 3.124,918 7.889,919 14.513,921 11.297,924 2.389,925 50.167,929 188.338,930 115.731,931 34.551,933 67.828,936 115.731,937 256.166,938 34.551,939 17.65,941 75.81,942 107.445,943 28.976,945 176.567,947 188.338,948 150.282,949 67.828,952 188.338,953 67.828,956 34.313,957 89.033,958 26.936,960 188.338,961 102.38,962 115.731,965 188.338,966 13.223,967 102.508,968 17.888,969 84.491,970 188.338,971 102.38,972 115.731,973 0.577,974 0.319,975 0.144,976 0.076,977 12,978 6,979 0.125,980 5,982 1,983 3.434,984 142.034,986 12,987 82.239,993 15.11,994 6.934,995 4.349,997 102.38,998 14.671,1003 3.308,1005 60.572,1006 406.448,1007 30,1013 10.737,1015 1.731,1016 4.138,1017 -0.935,1020 38.927,1021 43.737,1022 0.279,1023 0.63,1024 0.74,1025 0.818,1026 0.837,1027 0.837,1028 4.625,1029 1,1030 5.398,1031 2.285,1032 4.078,1033 4.654,1034 1.635,1035 6.107,1036 4.059,1037 5.816,1038 1,1039 6.909,1040 2.275,1041 3.611,1042 4.29,1044 6.855,1045 3.588,1046 7.09,1047 0.093,1048 8.515,1049 2.275,1050 5.587,1051 6.756,1052 2.253,1053 9.802,1054 5.555,1055 8.397,1056 -0.414,1057 10.175,1058 0.222,1059 5.889,1060 7.153,1062 11.318,1063 5.855,1064 9.73,1065 -0.803,1066 11.867,1067 -0.942,1068 7.348,1069 9.105,1070 2.922,1071 13.749,1072 7.305,1073 11.082,1074 -1,1075 13.58,1076 -1.81,1077 7.996,1078 9.867,1080 15.576,1081 7.953,1082 12.447,1083 -1,1084 15.307,1085 -2,1086 9.226,1087 11.565,1088 3.619,1089 17.81,1090 9.176,1091 2.791,1092 -1,1093 17.043,1094 -2,1095 10.047,1096 12.532,1098 19.78,1099 9.997,1100 2.778,1101 8.23,1102 18.787,1103 -3,1104 11.166,1105 14.087,1106 4.33,1107 21.933,1108 11.112,1109 2.414,1110 8.224,1111 20.535,1112 3.759,1113 12.078,1114 15.18,1116 23.97,1117 12.023,1118 2.313,1119 6.865,1120 22.288,1121 3.706,1122 13.144,1123 16.647,1124 5.047,1125 26.09,1126 13.085,1127 1.414,1128 6.706,1129 24.044,1130 3.068,1131 14.104,1132 17.82,1134 28.161,1135 14.045,1136 1.264,1137 3.157,1138 25.802,1139 2.951,1140 15.145,1141 19.233,1142 5.769,1143 30.269,1144 15.082,1145 1,1146 2.956,1147 27.563,1148 1.899,1149 16.132,1150 20.457,1152 32.356,1153 16.068,1154 4840,1155 8195,1156 14.216,1157 26.012,1158 32.813,1159 33.172,1160 33.132,1161 32.141,1162 32.135,1163 42.965,1164 2.873,1165 86.391,1166 31.815,1167 4.88,1168 5.576,1169 5.481,1170 4.789,1171 4.791,1172 6.759,1173 2.873,1174 13.767,1175 4.784,1176 11.951,1177 1.492,1178 1.508,1179 1.506,1180 1.461,1181 1.461,1182 1.953,1183 0.131,1184 3.927,1185 1.446,1186 3.978,1187 4.011,1188 3.918,1189 3.911,1190 7.475,1191 3.907,1192 3.906,1193 3.931,1194 3.849,1195 3.841,1196 6.351,1197 3.84,1198 3.55,1199 3.617,1200 3.427,1201 3.416,1202 4.894,1203 3.403,1204 3.354,1205 3.397,1206 3.28,1207 3.097,1208 4.7,1209 3.139,1210 3.144,1211 3.177,1212 3.041,1213 2.909,1214 4.468,1215 2.93,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 4.099,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.593,1231 2.618,1232 3.674,1233 2.57,1234 0.189,1235 0.163,1236 0.27,1237 0.172,1238 0.127,1239 4.168,1240 0.171,1241 3.576,1242 0.065,1243 5.93,1244 0.374,1245 3.789,1246 0.127,1247 2.791,1248 3.759,1249 1.437,1250 8.23,1251 2.784,1252 1.952,1253 1.924,1254 2.077,1255 2.041,1256 1.256,1257 2.052,1258 1.897,1259 1.874,1260 1.998,1261 1.991,1262 1.082,1263 1.996,1264 1.558,1265 1.495,1266 1.81,1267 1.732,1268 0.928,1269 1.76,1270 1.224,1271 1.183,1272 1.417,1273 1.523,1274 0.469,1275 1.477,1276 1.033,1277 0.997,1278 1.376,1279 1.325,1280 0.338,1281 1.308,1282 0.934,1283 0.821,1284 1.185,1285 1.239,1286 0.218,1287 1.277,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.208,1299 1.107,1300 3.807,1302 5.081,1304 6.541,1306 8.076,1308 9.648,1310 4.316,1314 8.812,1317 2.873,1320 0.516,1326 24.687,1327 57.585,1328 129.95,1329 152.621,1330 168.621,1331 172.621,1332 172.621,1333 36.485,1334 6.306,1335 61.69,1336 61.69,1337 12,1338 11.769,1339 3.907,1340 3.17,1341 39.813,1342 84,1343 65,1344 0.233,1345 157.215,1346 274.6,1347 375.365,1348 4162,1350 15.242,1351 0.726,1352 0.575,1353 15.242,1354 12.076,1355 10.059,1356 0.457,1357 0.308,1358 6.723,1359 9.776,1360 6.473,1361 5.488,1362 10.059,1363 6.784,1364 8.981,1365 0.31,1366 0.175,1367 8.981,1368 5.074,1369 6.893,1370 0.203,1371 0.092,1372 6.893,1373 3.142,1374 4.982,1375 0.135,1376 0.05,1377 4.982,1378 1.836,1379 3.722,1380 0.085,1381 0.026,1382 3.722,1383 1.143,1384 0.381,1385 62.46,1386 0.265,1387 21.578,1388 0.595,1389 102,1390 299.863,1391 109.537,1392 296.48,1393 395.96,1394 274,1395 114,1396 284.766,1397 120.736,1398 292.441,1399 414.45,1400 273,1401 6.796}
{0 CHEMBL1529810,1 1.728,2 12.75,3 2.912,4 8.477,5 108.802,6 8.182,7 0.516,8 4.015,9 4.137,10 3.666,11 3.507,12 5.116,13 3.508,14 4.57,15 4.749,16 4.045,17 3.901,18 5.675,19 3.877,20 4.808,21 5.029,22 4.085,23 4.02,24 5.801,25 3.97,26 4.844,27 5.068,28 3.998,29 3.977,30 5.927,31 3.926,32 4.758,33 4.981,34 3.867,35 3.947,36 5.765,37 3.88,38 4.718,39 4.939,40 3.88,41 3.963,42 5.695,43 3.86,44 4.772,45 5.051,46 3.78,47 3.832,48 5.663,49 3.71,50 4.499,51 4.783,52 3.583,53 3.558,54 5.473,55 3.465,56 0.093,57 0.774,58 8.957,59 4.022,60 7.657,61 5.246,62 0.496,63 1.211,64 19.273,65 6.666,66 33.537,67 9.112,68 0.463,69 1.403,70 29.135,71 8.656,72 37.79,73 12.146,74 0.738,75 1.392,76 30.721,77 8.606,78 65.122,79 11.547,80 0.602,81 1.301,82 26.405,83 8.032,84 61.472,85 11.013,86 0.437,87 1.3,88 24.195,89 8.566,90 38.803,91 12.241,92 0.498,93 1.22,94 30.345,95 8.403,96 45.991,97 12.712,98 0.557,99 0.914,100 24.352,101 6.042,102 42.172,103 9.039,104 13,105 43,106 0.291,107 0.662,108 0.813,109 0.827,110 0.827,111 0.827,112 3.374,113 0.935,114 -4.79,115 -4.71,116 -4.42,120 38.8,121 1,122 2,126 3,128 1,143 4,144 1,145 2,146 1,148 1,149 1,160 1,162 1,167 1,174 2,176 5,177 9,180 1,182 3,185 5,188 1,189 4,197 4,200 2,201 12,204 4,209 4,214 3,222 2,226 1,227 10,230 2,232 2,235 2,240 3,245 2,247 1,251 5,252 2,257 1,260 4,264 1,269 1,271 4,274 1280,275 19.231,276 19.231,277 19.231,278 19.231,279 19.231,280 17.239,281 26.878,282 11.401,283 19.957,284 15.262,285 15.262,286 15.262,287 15.262,288 15.262,289 12.224,290 36.93,291 5.319,292 16.388,293 3.887,294 1.69,295 0.791,296 0.709,297 0.709,298 0.709,299 4.073,303 1,306 1,307 1,308 773,309 3.162,312 60.784,313 247.696,316 115.624,320 2.018,321 27.052,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 61.333,333 357,334 4.656,335 3.768,336 6.817,337 4.171,338 3.219,339 4.614,340 2.208,341 11.283,342 3.064,343 4.085,344 3.291,345 6.097,346 3.77,347 2.831,348 3.694,349 0.655,350 8.852,351 2.653,352 3.957,353 2.953,354 6.025,355 3.645,356 2.697,357 3.161,358 0.4,359 8.566,360 2.55,361 3.723,362 2.8,363 5.41,364 3.356,365 2.416,366 3.103,367 0.13,368 7.026,369 2.269,370 3.424,371 2.542,372 5.135,373 3.141,374 2.222,375 2.583,377 6.207,378 1.989,379 3.17,380 2.19,381 4.906,382 2.73,383 1.808,384 2.323,386 5.409,387 1.62,388 3.047,389 1.865,390 4.239,391 2.468,392 1.547,393 2.32,395 3.849,396 1.422,397 2.64,398 1.792,399 4.138,400 2.432,401 1.528,402 1.629,404 3.672,405 1.367,406 2.556,407 1.548,408 4.03,409 2.032,410 1.08,411 1.577,413 3.057,414 1.015,415 2.5,416 1.155,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.217,425 1.077,426 3.414,427 1.984,428 1,429 1.115,431 2.275,432 0.983,433 2.051,434 1,435 3.359,436 1.84,437 0.885,438 1,440 1.974,441 0.831,442 2,443 0.89,444 3.001,445 1.709,446 0.771,447 0.932,449 1.39,450 0.715,451 1.299,452 0.427,453 2.78,454 1.001,455 0.074,456 0.086,458 0.185,459 0.067,460 1.111,461 0.321,462 2.469,463 0.645,464 -0.21,465 -0.261,467 -0.47,468 -0.148,469 13.281,470 0.474,471 0.606,472 0.022,473 35.5,474 1.268,475 16,476 0.571,477 19.5,478 0.696,479 23.631,480 0.844,481 30.519,482 0.623,483 25.517,484 0.911,485 6.862,486 0.245,487 6.79,488 0.243,489 0.117,491 0.324,496 0.751,497 1.532,498 0.615,499 1.125,500 0.569,501 0.969,502 0.76,503 1.132,504 0.718,505 0.895,506 0.527,507 0.899,508 1.031,509 1.192,510 0.895,511 0.976,512 0.746,513 0.923,514 1.38,515 0.831,516 1.001,517 0.846,518 1.58,519 0.921,520 1.302,521 0.927,522 0.857,523 0.822,524 1.594,525 0.935,526 0.587,527 1.199,528 0.838,529 1.162,530 0.608,531 1.203,532 0.795,533 1.074,534 0.804,535 0.922,536 0.662,537 0.953,538 0.881,539 0.553,540 0.869,541 0.6,542 0.702,543 0.703,544 5,545 0.155,546 3.556,547 1.66,548 1.308,549 0.764,550 0.537,551 0.447,552 0.252,553 0.131,554 10360,555 31450,556 2.115,557 42.9,559 11,561 2,562 1,564 3,565 4,567 1.707,568 2,569 3.603,570 -0.252,571 1,572 1,575 84.662,576 1.728,577 3.925,578 4.824,579 4.905,580 4.905,581 4.905,582 3.067,583 4.352,584 4.772,585 3.748,586 1416.62,587 8.285,588 18874.1,590 1,592 1,593 275.121,594 1.333,595 4.748,596 0.161,597 0.007,598 0.083,599 0.038,600 0.033,601 0.021,602 0.016,603 0.016,604 0.011,605 0.005,606 0.391,607 0.17,608 1,609 1.032,610 141.913,611 -0.013,612 -0.283,613 0.043,614 -0.131,615 -0.005,616 -0.043,617 0.173,618 0.008,619 0.053,620 0.046,621 0.158,622 0.018,623 -0.108,624 -0.167,625 0.018,626 -0.02,627 0.011,628 0.037,629 -0.184,630 0.178,631 -0.119,632 0.063,633 -0.195,634 -0.005,635 -0.256,636 0.081,637 -0.103,638 0.105,639 -0.297,640 0.008,641 0.092,642 -0.16,643 -0.063,644 -0.187,645 0.015,646 -0.212,647 -0.015,648 -0.149,649 0.116,650 0.016,651 0.014,652 0.048,653 0.066,654 0.393,655 0.132,656 0.302,657 0.097,658 0.259,659 1.908,660 4.84,661 0.75,662 30.673,663 1.013,664 1.136,665 3.564,666 12.7,667 0.671,668 3.466,669 3.784,670 4.078,671 4.344,672 4.575,673 4.673,674 4.82,675 4.984,676 5.063,677 5.142,678 7.079,679 0.645,680 400.91,681 3.466,682 5.004,683 5.861,684 6.739,685 7.615,686 8.502,687 9.386,688 10.277,689 11.167,690 12.062,691 12.2,696 1,698 1,699 1,701 3,708 2,709 6,710 3,714 3,715 1,716 16,729 1,737 1,738 49,739 17,740 1,741 31,743 52,744 19,745 11,746 2,747 4,752 4,753 5,754 1,759 1,763 3,766 3,768 12,769 7,772 1,778 1,782 1,786 1,789 21,790 7,791 1,792 9,793 1,797 6,803 0.75,804 2,814 1,817 1,822 1,823 3,826 1,852 1,855 3,859 1,860 1,862 28,869 5,871 1,872 1,874 1,875 1,885 1,886 4.1,889 1,891 1,893 14,894 9.06,895 6.222,896 3.135,898 3.305,899 1.424,900 0.981,901 5.76,902 11.106,903 3.714,904 4.301,905 4.906,906 5.512,907 6.046,908 6.418,909 6.877,910 7.34,911 7.607,912 7.935,913 0.889,914 44,915 10.326,917 4.373,918 7.748,919 19.73,921 16.152,924 2.248,925 62.944,928 1,929 235.422,930 97.905,931 73.146,932 39.149,933 36.145,936 97.905,937 310.715,938 73.146,939 8.825,940 16.997,941 37.905,942 118.647,943 39.273,944 9.09,945 211.88,946 39.149,947 235.422,948 171.051,949 36.145,950 39.149,952 153.024,953 118.543,956 46.98,957 55.826,958 107.393,960 235.422,961 109.291,962 137.054,965 235.422,966 33.509,967 69.297,968 18.011,969 125.528,970 235.422,971 109.291,972 137.054,973 0.576,974 0.341,975 0.185,976 0.1,977 21,978 9,979 0.096,980 5,981 1,982 1.095,983 4.032,984 242.635,985 0.095,986 21,987 126.606,993 19.124,994 8.434,995 4.145,996 1.578,997 107.514,998 10.737,999 13.267,1003 2.304,1004 1.766,1005 18.011,1006 481.766,1007 40,1013 11.84,1017 -0.241,1020 49.658,1021 55.674,1022 0.308,1023 0.699,1024 0.859,1025 0.874,1026 0.874,1027 0.874,1028 4.949,1029 1.528,1030 5.838,1031 3.849,1032 4.466,1033 4.987,1034 2.351,1035 6.65,1036 4.336,1037 6.14,1038 1.08,1039 7.396,1040 3.672,1041 4.007,1042 4.783,1043 1.847,1044 7.564,1045 3.792,1046 7.442,1047 1,1048 9.055,1049 3.057,1050 6.057,1051 7.194,1052 3.529,1053 10.673,1054 5.813,1055 8.784,1056 1,1057 10.776,1058 2.275,1059 6.447,1060 7.893,1061 3.656,1062 12.45,1063 6.133,1064 10.162,1065 0.885,1066 12.537,1067 2.275,1068 7.941,1069 9.765,1070 4.956,1071 15.077,1072 7.595,1073 11.566,1074 0.771,1075 14.326,1076 1.974,1077 8.724,1078 10.895,1079 5.37,1080 17.211,1081 8.317,1082 12.992,1083 0.074,1084 16.137,1085 1.39,1086 9.995,1087 12.555,1088 6.458,1089 19.686,1090 9.552,1091 3.219,1092 -0.21,1093 17.963,1094 0.185,1095 10.966,1096 13.895,1097 7.028,1098 21.975,1099 10.467,1100 2.831,1101 11.283,1102 19.802,1103 -0.47,1104 12.149,1105 15.468,1106 7.994,1107 24.403,1108 11.61,1109 2.697,1110 8.852,1111 21.652,1112 4.614,1113 13.21,1114 16.908,1115 8.654,1116 26.762,1117 12.619,1118 2.416,1119 8.566,1120 23.511,1121 3.694,1122 14.364,1123 18.449,1124 9.549,1125 29.178,1126 13.729,1127 2.222,1128 7.026,1129 25.377,1130 3.161,1131 15.469,1132 19.935,1133 10.263,1134 31.569,1135 14.785,1136 1.808,1137 6.207,1138 27.249,1139 3.103,1140 16.615,1141 21.465,1142 11.116,1143 33.984,1144 15.886,1145 1.547,1146 5.409,1147 29.127,1148 2.583,1149 17.744,1150 22.973,1151 11.862,1152 36.39,1153 16.967,1154 9912,1155 17417,1156 20.978,1157 32.892,1158 46.522,1159 47.417,1160 47.848,1161 46.366,1162 46.157,1163 59.274,1164 6.786,1165 132.041,1166 43.09,1167 5.656,1168 5.768,1169 6.586,1170 5.254,1171 5.219,1172 7.614,1173 3.912,1174 18.679,1175 5.064,1176 12.58,1177 1.501,1178 1.53,1179 1.543,1180 1.496,1181 1.489,1182 1.912,1183 0.219,1184 4.259,1185 1.39,1186 4.12,1187 4.171,1188 4.117,1189 3.966,1190 7.433,1191 3.99,1192 3.873,1193 3.928,1194 3.927,1195 3.763,1196 5.166,1197 3.762,1198 3.809,1199 3.842,1200 3.757,1201 3.67,1202 4.922,1203 3.677,1204 3.54,1205 3.59,1206 3.441,1207 3.298,1208 4.597,1209 3.309,1210 3.31,1211 3.392,1212 3.348,1213 3.042,1214 4.485,1215 3.08,1216 3.198,1217 3.266,1218 3.12,1219 2.941,1220 4.305,1221 2.969,1222 3.111,1223 3.206,1224 3.066,1225 2.934,1226 4.228,1227 2.91,1228 2.958,1229 3.012,1230 2.866,1231 2.796,1232 3.997,1233 2.797,1234 0.15,1235 0.122,1236 0.22,1237 0.135,1238 0.104,1239 4.656,1240 0.149,1241 3.768,1242 0.071,1243 6.817,1244 0.364,1245 4.171,1246 0.099,1247 3.219,1248 4.614,1249 2.208,1250 11.283,1251 3.064,1252 1.918,1253 1.886,1254 2.038,1255 2.071,1256 1.395,1257 2.058,1258 1.849,1259 1.8,1260 1.981,1261 2.008,1262 1.093,1263 2.005,1264 1.732,1265 1.689,1266 1.816,1267 1.893,1268 0.939,1269 1.878,1270 1.485,1271 1.422,1272 1.797,1273 1.745,1274 0.913,1275 1.76,1276 1.257,1277 1.186,1278 1.513,1279 1.541,1280 0.825,1281 1.498,1282 1.153,1283 1.075,1284 1.365,1285 1.433,1286 0.582,1287 1.429,1288 1.133,1289 1.064,1290 1.333,1291 1.376,1292 0.316,1293 1.407,1294 0.914,1295 0.857,1296 1.181,1297 1.125,1298 0.218,1299 1.116,1300 4.143,1302 5.46,1303 2.398,1304 6.976,1305 4.727,1306 8.583,1307 6.862,1308 10.236,1310 1.816,1311 5.975,1315 3.377,1317 3.485,1318 5.071,1320 0.225,1321 1.746,1326 31.6,1327 84.662,1328 192.308,1329 236.366,1330 240.366,1331 240.366,1332 240.366,1333 43.165,1334 7.801,1335 85.17,1336 85.17,1337 23,1338 12.589,1339 4.17,1340 3.322,1341 42.632,1342 117,1343 136,1344 0.177,1345 197.123,1346 332.79,1347 472.741,1348 27420,1349 2,1350 19.51,1351 0.697,1352 0.581,1353 20.01,1354 16.263,1355 13.652,1356 0.44,1357 0.312,1358 9.15,1359 12.682,1360 8.963,1361 7.38,1362 13.941,1363 9.661,1364 12.062,1365 0.281,1366 0.164,1367 12.471,1368 7.033,1369 10.393,1370 0.179,1371 0.087,1372 10.682,1373 5.051,1374 8.678,1375 0.114,1376 0.046,1377 8.845,1378 3.471,1379 6.977,1380 0.073,1381 0.026,1382 7.191,1383 2.472,1384 0.282,1385 89.457,1386 0.218,1387 26.989,1388 0.475,1389 148,1390 464.233,1391 182.153,1392 471.591,1393 639.39,1394 442,1395 175,1396 457.19,1397 204.035,1398 464.886,1399 684.73,1400 438,1401 4.049}
{0 CHEMBL1529882,1 1.708,2 9.3,3 3.017,4 9.099,5 79.03,6 7.876,7 0.455,8 3.72,9 3.832,10 3.395,11 3.291,12 4.776,13 3.24,14 4.28,15 4.445,16 3.807,17 3.677,18 5.292,19 3.6,20 4.52,21 4.748,22 3.656,23 3.719,24 5.489,25 3.576,26 4.463,27 4.709,28 3.658,29 3.63,30 5.466,31 3.478,32 4.197,33 4.424,34 3.532,35 3.386,36 5.314,37 3.282,38 3.964,39 4.157,40 3.285,41 3.206,42 5.08,43 3.122,44 3.853,45 4.072,46 3.073,47 3.099,48 4.86,49 3.014,50 3.832,51 4.015,52 2.91,53 3.033,54 4.928,55 2.951,56 0.05,57 0.567,58 7.912,59 3.743,60 5.267,61 4.549,62 0.165,63 0.926,64 16.943,65 6.238,66 15.793,67 8.243,68 0.44,69 1.029,70 24.729,71 8.456,72 39.938,73 10.626,74 0.321,75 1.007,76 26.837,77 7.994,78 34.918,79 9.846,80 0.334,81 0.805,82 21.07,83 5.565,84 32.335,85 6.7,86 0.285,87 0.665,88 15.091,89 3.801,90 27.852,91 4.424,92 0.148,93 0.559,94 11.645,95 3.646,96 16.041,97 4.753,98 0.206,99 0.501,100 12.864,101 3.904,102 25.224,103 4.471,104 5,105 30,106 0.311,107 0.6,108 0.719,109 0.79,110 0.817,111 0.817,112 3.057,113 1.057,114 -3.57,115 -3.54,116 -3.38,120 37.8,121 1,122 5,123 1,143 2,153 2,159 1,162 1,163 1,167 1,174 7,177 6,180 2,182 1,185 8,188 1,189 4,192 2,194 1,197 6,200 1,201 6,206 2,209 2,213 2,214 6,219 3,222 2,226 1,227 4,232 2,235 1,240 5,245 1,247 2,252 5,260 3,264 3,271 5,274 480,275 13.585,276 13.585,277 13.585,278 13.585,279 13.585,280 12.278,281 14.796,282 8.138,283 13.88,284 10.882,285 10.882,286 10.882,287 10.882,288 10.882,289 8.85,290 17.021,291 3.912,292 11.389,293 3.501,294 1.917,295 1.263,296 0.872,297 0.723,298 0.723,299 3.735,305 1,306 1,307 1,308 402,309 2.55,312 115.685,313 67.807,320 1.5,321 18.498,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43.5,333 186,334 4.28,335 3.579,336 6.192,337 3.905,338 2.955,339 3.871,340 1.058,341 9.263,342 2.881,343 4.166,344 3.108,345 6.079,346 3.807,347 2.837,348 3.757,350 8.81,351 2.697,352 3.635,353 2.634,354 5.329,355 3.327,356 2.387,357 2.881,359 6.897,360 2.25,361 3.41,362 2.418,363 4.945,364 3.068,365 2.089,366 2.596,368 5.701,369 1.996,370 2.853,371 1.767,372 4.35,373 2.64,374 1.685,375 1.903,377 4.214,378 1.6,379 2.583,380 1.667,381 3.846,382 2.19,383 1.198,384 1.544,386 2.957,387 1.182,388 2.279,389 1.152,390 3.468,391 2,392 1,393 1.216,395 2.462,396 1,397 2.162,398 1,399 3.268,400 1.953,401 0.98,402 1,404 2.136,405 0.941,406 2.078,407 0.731,408 3.26,409 1.665,410 0.683,411 0.98,413 1.67,414 0.663,415 2,416 0.691,417 3.247,418 1.552,419 0.652,420 0.949,422 1.608,423 0.573,424 0.997,425 0.341,426 2.609,427 0.578,428 -0.367,429 -0.452,431 -0.974,432 -0.339,433 0.486,434 -0.363,435 2.23,436 0.273,437 -0.706,438 -0.76,440 -1.625,441 -0.689,442 0.396,443 -0.517,444 1.73,445 0.247,446 -0.767,447 -0.926,449 -1.788,450 -0.774,451 0.159,452 -0.871,453 1.6,455 -1,456 -1,458 -2.347,459 -1,461 -1,462 1.555,463 -0.218,464 -1.251,465 -1.604,467 -3.383,468 -1.202,469 9.7,470 0.485,471 0.452,472 0.023,473 22.75,474 1.138,475 10,476 0.5,477 12.75,478 0.638,479 17.557,480 0.878,481 22.1,482 0.597,483 12.611,484 0.631,485 3.877,486 0.194,487 5.843,488 0.292,489 0.086,491 0.309,496 0.702,497 1.15,498 0.734,499 0.979,500 0.527,501 0.956,502 0.583,503 1.284,504 0.736,505 1.151,506 0.468,507 1.045,508 0.879,509 0.958,510 0.962,511 0.956,512 0.754,513 0.983,514 0.87,515 1.12,516 1.153,517 1.148,518 0.949,519 0.96,520 1.044,521 1.108,522 1.295,523 1.146,524 1.072,525 0.877,526 1.704,527 1.068,528 1.581,529 1.071,530 1.715,531 0.989,532 1.157,533 0.993,534 0.979,535 0.894,536 1.246,537 0.925,538 1.87,539 0.944,540 1.466,541 1.165,542 2.357,543 1.093,544 4,545 0.048,546 2,547 1.132,548 0.851,549 0.365,550 0.283,551 0.2,552 0.11,553 0.069,554 4134,555 10237,556 2.107,557 45.9,558 10,559 2,562 1,563 4,567 1.613,568 2,569 3.223,570 -0.222,571 1,572 1,574 1,575 63.205,576 1.708,577 3.293,578 3.947,579 4.337,580 4.486,581 4.486,582 2.709,583 3.784,584 4.295,585 3.339,586 634.332,587 7.312,588 6580.48,589 1,590 1,591 1,592 1,593 192.75,594 1.295,595 4.266,596 0.182,597 0.006,598 0.067,599 0.045,600 0.037,601 0.017,602 0.017,603 0.013,604 0.008,605 0.006,606 0.399,607 0.67,608 1,609 0.548,610 89.622,611 0.027,612 0.024,613 0.075,614 0.031,615 0.04,616 0.024,617 0.206,618 -0.223,619 0.177,620 -0.132,621 0.164,622 -0.051,623 0.132,624 -0.018,625 0.03,626 0.035,627 0.123,628 0.003,629 0.041,630 -0.116,631 0.059,632 -0.043,633 0.081,634 0.036,635 0.058,636 -0.001,637 0.006,638 -0.024,639 0.076,640 0.07,641 -0.355,642 0.148,643 -0.348,644 -0.02,645 -0.324,646 -0.123,647 -0.186,648 0.056,649 -0.077,650 0.008,651 -0.143,652 0.002,653 -0.398,654 0.058,655 -0.407,656 -0.151,657 -0.395,658 -0.165,659 1.94,660 4.947,661 0.8,662 15,663 1.006,664 1.128,665 2.339,666 5.47,667 0.673,668 3.135,669 3.434,670 3.664,671 3.892,672 3.951,673 3.932,674 3.989,675 4.043,676 4.06,677 4.078,678 5.505,679 0.632,680 291.41,681 3.135,682 4.654,683 5.485,684 6.344,685 7.191,686 8.052,687 8.904,688 9.766,689 10.622,690 11.483,691 8.1,698 1,701 2,709 2,710 2,712 1,713 1,714 4,716 10,723 1,738 37,739 11,741 22,743 39,744 14,745 6,748 1,752 3,753 3,759 1,763 5,764 1,766 5,768 7,769 7,770 1,772 1,778 1,782 1,785 1,786 1,788 1,789 17,790 5,791 1,792 6,793 1,797 3,803 1,804 2,822 2,823 1,855 3,857 1,859 1,862 20,869 5,871 1,874 1,886 5.4,889 1,891 1,893 10,894 6.9,895 4.389,896 2.48,898 1.699,899 1.261,900 0.97,901 4.154,902 8.205,903 3.367,904 3.902,905 4.404,906 4.914,907 5.026,908 5.218,909 5.366,910 5.619,911 5.851,912 6.089,913 1,914 25,915 7.415,917 3.15,918 7.7,919 14.381,921 11.967,924 2.2,925 44,926 0.001,929 188.338,930 88.761,931 51.337,933 34.652,935 31.278,936 57.483,937 222.99,938 51.337,939 8.825,940 30.683,941 18.952,942 64.105,943 10.008,944 10.898,945 219.615,947 188.338,948 108.82,949 34.652,950 31.278,952 188.338,953 34.652,956 40.939,957 34.555,958 33.326,959 31.278,960 188.338,961 85.989,962 88.761,965 188.338,966 60.983,967 27.778,968 18.011,969 67.978,970 188.338,971 85.989,972 88.761,973 0.577,974 0.33,975 0.177,976 0.087,977 15,978 6,979 0.077,980 3,982 1,983 3.369,984 145.319,986 16,987 82.439,989 1,993 13.748,994 6.044,995 3.284,997 85.989,998 3.427,999 8.274,1001 5.285,1002 1.473,1003 2.604,1005 18.011,1006 363.087,1007 28,1013 11.947,1017 -0.274,1020 37.222,1021 41.74,1022 0.328,1023 0.632,1024 0.758,1025 0.833,1026 0.861,1027 0.861,1028 4.59,1029 0.98,1030 5.451,1031 2.462,1032 4.111,1033 4.585,1034 1.176,1035 6.209,1036 4.028,1037 5.761,1038 0.683,1039 6.974,1040 2.136,1041 3.611,1042 4.29,1044 6.969,1045 3.486,1046 7.043,1047 0.652,1048 8.594,1049 1.67,1050 5.652,1051 6.67,1052 1.255,1053 10.038,1054 5.491,1055 8.359,1056 -0.367,1057 10.271,1058 1.608,1059 5.994,1060 7.262,1062 11.634,1063 5.788,1064 9.71,1065 -0.706,1066 11.984,1067 -0.974,1068 7.469,1069 9.046,1070 1.338,1071 14.173,1072 7.237,1073 11.082,1074 -0.767,1075 13.722,1076 -1.625,1077 8.188,1078 10.032,1080 16.106,1081 7.914,1082 12.469,1083 -1,1084 15.478,1085 -1.788,1086 9.43,1087 11.57,1088 1.422,1089 18.452,1090 9.132,1091 2.955,1092 -1.251,1093 17.246,1094 -2.347,1095 10.329,1096 12.742,1098 20.533,1099 9.993,1100 2.837,1101 9.263,1102 19.024,1103 -3.383,1104 11.471,1105 14.171,1106 1.51,1107 22.8,1108 11.11,1109 2.387,1110 8.81,1111 20.809,1112 3.871,1113 12.456,1114 15.433,1116 24.949,1117 12.061,1118 2.089,1119 6.897,1120 22.599,1121 3.757,1122 13.554,1123 16.814,1124 1.599,1125 27.184,1126 13.134,1127 1.685,1128 5.701,1129 24.394,1130 2.881,1131 14.581,1132 18.117,1134 29.364,1135 14.13,1136 1.198,1137 4.214,1138 26.192,1139 2.596,1140 15.661,1141 19.477,1142 1.69,1143 31.585,1144 15.184,1145 1,1146 2.957,1147 27.993,1148 1.903,1149 16.709,1150 20.801,1152 33.781,1153 16.203,1154 3982,1155 6462,1156 14.909,1157 24.904,1158 33.435,1159 33.615,1160 33.42,1161 32.942,1162 32.932,1163 41.393,1164 2.117,1165 91.435,1166 31.565,1167 5.28,1168 5.579,1169 5.994,1170 5.034,1171 4.955,1172 6.51,1173 2.117,1174 15.65,1175 4.881,1176 7.695,1177 1.52,1178 1.528,1179 1.519,1180 1.497,1181 1.497,1182 1.882,1183 0.096,1184 4.156,1185 1.435,1186 3.974,1187 4.001,1188 4.233,1189 3.88,1190 7.43,1191 3.849,1192 3.896,1193 3.919,1194 3.883,1195 3.764,1196 5.037,1197 3.776,1198 3.66,1199 3.708,1200 3.647,1201 3.568,1202 4.989,1203 3.515,1204 3.28,1205 3.328,1206 3.224,1207 3.068,1208 4.228,1209 3.086,1210 3.111,1211 3.206,1212 2.866,1213 2.941,1214 3.846,1215 2.91,1216 3.042,1217 3.132,1218 2.861,1219 2.882,1220 3.684,1221 2.854,1222 2.91,1223 2.991,1224 2.699,1225 2.673,1226 3.615,1227 2.667,1228 2.373,1229 2.448,1230 2.479,1231 2.088,1232 3.477,1233 2.106,1234 0.195,1235 0.163,1236 0.281,1237 0.178,1238 0.134,1239 4.28,1240 0.176,1241 3.579,1242 0.048,1243 6.192,1244 0.421,1245 3.905,1246 0.131,1247 2.955,1248 3.871,1249 1.058,1250 9.263,1251 2.881,1252 1.882,1253 1.833,1254 2.092,1255 2.013,1256 1.49,1257 2.046,1258 1.583,1259 1.555,1260 1.775,1261 1.786,1262 0.872,1263 1.738,1264 1.515,1265 1.495,1266 1.617,1267 1.717,1268 0.851,1269 1.73,1270 1.314,1271 1.292,1272 1.513,1273 1.476,1274 0.825,1275 1.49,1276 1.166,1277 1.106,1278 1.502,1279 1.395,1280 0.637,1281 1.429,1282 1.153,1283 1.064,1284 1.294,1285 1.376,1286 0.391,1287 1.393,1288 0.796,1289 0.738,1290 0.986,1291 1.117,1292 0.109,1293 1.102,1294 0.762,1295 0.68,1296 0.881,1297 0.99,1299 1.015,1300 3.807,1302 5.106,1303 3.045,1304 6.575,1305 5.283,1306 8.116,1307 7.261,1308 9.697,1310 1.808,1315 6.2,1317 2.743,1320 0.512,1326 23.369,1327 63.205,1328 121.837,1329 146.021,1330 160.485,1331 165.995,1332 165.995,1333 30.086,1334 6.506,1335 68.02,1336 96.26,1337 16,1338 12.033,1339 3.585,1340 2.807,1341 30.133,1342 66,1343 58,1344 0.225,1345 147.752,1346 247.77,1347 352.276,1348 5192,1350 13.949,1351 0.697,1352 0.61,1353 14.303,1354 12.203,1355 9.72,1356 0.442,1357 0.352,1358 6.919,1359 8.91,1360 6.696,1361 5.563,1362 10.129,1363 7.75,1364 8.729,1365 0.291,1366 0.205,1367 9.397,1368 6.154,1369 7.144,1370 0.188,1371 0.121,1372 7.916,1373 4.581,1374 5.848,1375 0.122,1376 0.071,1377 6.691,1378 3.422,1379 4.148,1380 0.081,1381 0.046,1382 4.793,1383 2.331,1384 0.355,1385 65.115,1386 0.259,1387 20.175,1388 0.612,1389 104,1390 317.955,1391 143.264,1392 322.939,1393 441.32,1394 302,1395 120,1396 316.367,1397 154.355,1398 329.302,1399 480.62,1400 310,1401 4.35}
{0 CHEMBL1530097,1 1.515,2 7.917,3 2.4,4 5.761,5 91.045,6 7.475,7 0.63,8 3.878,9 3.986,10 3.459,11 3.426,12 4.971,13 3.414,14 4.413,15 4.574,16 3.794,17 3.813,18 5.43,19 3.784,20 4.669,21 4.87,22 3.898,23 3.978,24 5.665,25 3.916,26 4.728,27 4.94,28 3.887,29 4.009,30 5.712,31 3.93,32 4.805,33 5.023,34 3.94,35 4.056,36 5.831,37 3.982,38 4.838,39 5.045,40 3.885,41 4.059,42 5.876,43 3.966,44 4.833,45 5.089,46 3.654,47 3.904,48 5.799,49 3.777,50 4.497,51 4.776,52 3.176,53 3.549,54 5.347,55 3.392,56 0.021,57 0.624,58 8.708,59 3.912,60 8.587,61 4.973,62 0.159,63 1.033,64 16.633,65 6.171,66 16.763,67 8.062,68 0.333,69 1.287,70 22.876,71 8.34,72 32.374,73 11.349,74 0.213,75 1.341,76 24.352,77 9.233,78 31.942,79 12.74,80 0.331,81 1.434,82 26.925,83 9.665,84 43.015,85 13.19,86 0.315,87 1.441,88 27.61,89 10.37,90 49.494,91 13.856,92 0.441,93 1.348,94 29.963,95 10.278,96 58.793,97 14.246,98 0.325,99 0.96,100 21.832,101 7.317,102 35.402,103 10.425,104 2,105 37,106 0.263,107 0.599,108 0.749,109 0.836,110 0.86,111 0.86,112 3.23,113 0.904,114 -2.76,115 -2.77,116 -2.69,120 44.2,126 4,128 1,143 7,144 2,145 1,146 2,147 2,174 7,177 5,182 1,185 5,188 2,189 7,192 1,194 2,197 4,201 4,204 1,206 2,209 4,213 1,214 4,217 1,219 2,222 4,226 2,227 5,232 1,235 3,240 5,243 1,245 1,247 3,251 1,252 4,260 3,264 1,271 2,274 824,275 16.811,276 16.811,277 16.811,278 16.811,279 16.811,280 14.77,281 14.302,282 10.202,283 17.223,284 13.36,285 13.36,286 13.36,287 13.36,288 13.36,289 10.438,290 17.676,291 4.844,292 14.016,293 3.911,294 1.97,295 1.108,296 0.605,297 0.465,298 0.465,299 3.933,305 1,306 1,307 1,308 419,309 2.449,313 262.775,317 100.553,320 1.104,321 20.094,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51.5,333 190,334 4.603,335 3.613,336 6.947,337 4.23,338 3.26,339 4.504,340 1.277,341 11.718,342 3.16,343 4.202,344 3.067,345 6.447,346 3.867,347 2.904,348 3.665,349 0.86,350 9.913,351 2.796,352 3.678,353 2.594,354 5.552,355 3.221,356 2.278,357 3.18,358 0.494,359 6.959,360 2.174,361 3.436,362 2.342,363 5.247,364 3.184,365 2.22,366 2.631,368 6.4,369 2.104,370 3.197,371 2.101,372 4.753,373 2.738,374 1.775,375 2.455,377 4.878,378 1.704,379 2.951,380 1.835,381 4.028,382 2.529,383 1.577,384 2.11,386 3.467,387 1.502,388 2.841,389 1.547,390 3.644,391 2.354,392 1.374,393 1.991,395 3.001,396 1.346,397 2.5,398 1.401,399 3.555,400 2.217,401 1.317,402 1.5,404 2.88,405 1.169,406 2.456,407 1.256,408 3.488,409 1.958,410 1,411 1.453,413 2.136,414 0.956,415 2.332,416 1.042,417 3.277,418 1.952,419 1,420 1.257,422 2.136,423 0.946,424 2,425 1,426 3.247,427 1.825,428 0.879,429 1,431 2.083,432 0.827,433 1.753,434 0.767,435 3.247,436 1.484,437 0.541,438 0.637,440 1.427,441 0.507,442 1.171,443 0.134,444 2.738,445 0.789,446 -0.151,447 -0.186,449 -0.377,450 -0.14,451 0.937,452 -0.36,453 2.341,454 0.451,455 -0.52,456 -0.719,458 -1.266,459 -0.504,460 0.611,461 -0.444,462 2.198,463 0.248,464 -0.705,465 -0.816,467 -1.547,468 -0.67,469 11.367,470 0.474,471 0.415,472 0.017,473 32.5,474 1.354,475 16.5,476 0.688,477 16,478 0.667,479 17.625,480 0.734,481 25.233,482 0.587,483 23.064,484 0.961,485 6.582,486 0.274,487 5.261,488 0.219,489 0.029,491 0.299,496 0.912,497 1.309,498 0.776,499 1.068,500 0.903,501 0.931,502 1.274,503 1.135,504 0.994,505 0.947,506 0.846,507 0.923,508 0.958,509 0.971,510 0.96,511 0.922,512 0.807,513 0.934,514 0.824,515 1.126,516 0.935,517 1.064,518 1.011,519 1.021,520 1.043,521 0.949,522 0.985,523 0.948,524 1.206,525 0.95,526 1.123,527 1.105,528 1.139,529 1.173,530 1.468,531 1.166,532 1.138,533 0.969,534 1.053,535 0.989,536 1.239,537 1.009,538 1.035,539 0.78,540 1.069,541 0.877,542 0.768,543 0.959,544 2.5,546 2.444,547 1.875,548 1.409,549 0.632,550 0.525,551 0.253,552 0.073,553 0.045,554 5877,555 14773,556 2.187,557 44.2,559 16,561 2,562 1,567 1.679,568 2.118,569 2.97,570 -0.342,571 1,572 1,574 1,575 65.153,576 1.515,577 3.456,578 4.318,579 4.822,580 4.961,581 4.961,582 2.413,583 3.752,584 4.558,585 3.099,586 855.311,587 7.918,588 9722.88,590 1,592 1,593 233.329,594 1.099,595 4.546,596 0.093,598 0.066,599 0.047,600 0.036,601 0.015,602 0.014,603 0.009,604 0.004,605 0.006,606 0.29,607 0.67,608 1,609 0.382,610 110.619,611 -0.052,612 -0.187,613 0.058,614 -0.047,615 -0.068,616 0.008,617 -0.198,618 -0.03,619 -0.081,620 0.016,621 -0.105,622 -0.008,623 0.03,624 0.078,625 -0.013,626 0.042,627 0.066,628 0.012,629 0.021,630 -0.117,631 0.008,632 -0.082,633 0.046,634 -0.046,635 -0.034,636 0.067,637 -0.016,638 0.015,639 -0.037,640 0.007,641 -0.05,642 -0.125,643 -0.174,644 -0.195,645 -0.137,646 -0.204,647 -0.002,648 -0.061,649 -0.02,650 -0.021,651 -0.021,652 -0.022,653 -0.051,654 0.133,655 -0.032,656 0.083,657 -0.049,658 0.04,659 1.443,660 4.864,661 0.917,662 16.389,663 1.001,664 1.122,665 1.531,666 2.343,667 0.675,668 3.332,669 3.638,670 3.97,671 4.277,672 4.543,673 4.564,674 4.736,675 4.852,676 4.875,677 4.754,678 4.972,679 0.644,680 321.41,681 3.332,682 4.86,683 5.727,684 6.611,685 7.498,686 8.394,687 9.29,688 10.19,689 11.09,690 11.993,691 7,694 1,701 2,708 2,709 9,710 2,714 3,716 17,734 1,738 43,739 17,740 1,741 27,743 46,744 19,745 14,746 4,747 2,752 4,753 5,766 1,768 14,769 5,785 1,786 1,789 19,790 5,791 1,792 5,797 3,803 0.75,804 2,816 2,823 4,827 1,851 1,854 1,855 3,862 24,868 1,869 4,872 1,874 1,875 1,886 4.7,888 1,890 1,893 11.333,894 7.55,895 5.333,896 2.571,898 2.984,899 1.42,900 0.98,901 4.221,902 10.087,903 3.597,904 4.19,905 4.814,906 5.426,907 6.016,908 6.265,909 6.72,910 7.147,911 7.515,912 7.59,913 1,914 40,915 8.886,917 3.816,918 7.632,919 17.174,921 14.333,924 2.132,925 51.167,928 1,929 211.88,930 108.484,931 36.695,933 53.683,936 108.484,937 265.563,938 36.695,940 13.396,941 66.334,942 110.796,943 31.879,945 188.338,947 211.88,948 145.18,949 53.683,952 211.88,953 42.683,954 11,956 39.516,957 72.092,958 33.571,960 211.88,961 90.379,962 108.484,965 211.88,966 24.056,967 87.553,969 87.254,970 211.88,971 90.379,972 108.484,973 0.57,974 0.347,975 0.205,976 0.117,977 19,978 7,979 0.065,980 3,981 1,982 1.091,983 3.567,984 208.283,985 0.091,986 22,987 106.039,993 15.218,994 6.657,995 2.93,996 1.56,997 90.379,998 17.198,999 8.887,1003 1.988,1005 42.683,1006 410.743,1007 35.5,1020 43.029,1021 48.235,1022 0.279,1023 0.637,1024 0.796,1025 0.889,1026 0.914,1027 0.914,1028 4.814,1029 1.317,1030 5.687,1031 3.001,1032 4.317,1033 4.875,1034 1.696,1035 6.521,1036 4.231,1037 5.995,1038 1,1039 7.249,1040 2.88,1041 3.761,1042 4.543,1043 0.914,1044 7.496,1045 3.647,1046 7.29,1047 1,1048 8.926,1049 2.136,1050 5.905,1051 7.083,1052 1.663,1053 10.679,1054 5.75,1055 8.627,1056 0.879,1057 10.675,1058 2.136,1059 6.275,1060 7.678,1061 1.413,1062 12.554,1063 6.094,1064 10.004,1065 0.541,1066 12.471,1067 2.083,1068 7.826,1069 9.635,1070 1.851,1071 15.242,1072 7.61,1073 11.41,1074 -0.151,1075 14.3,1076 1.427,1077 8.631,1078 10.684,1079 1.855,1080 17.457,1081 8.387,1082 12.839,1083 -0.52,1084 16.151,1085 -0.377,1086 9.94,1087 12.385,1088 2.17,1089 19.984,1090 9.665,1091 3.26,1092 -0.705,1093 18.018,1094 -1.266,1095 10.946,1096 13.664,1097 2.297,1098 22.334,1099 10.642,1100 2.904,1101 11.718,1102 19.897,1103 -1.547,1104 12.16,1105 15.25,1106 2.564,1107 24.807,1108 11.825,1109 2.278,1110 9.913,1111 21.785,1112 4.504,1113 13.256,1114 16.643,1115 2.751,1116 27.212,1117 12.891,1118 2.22,1119 6.959,1120 23.68,1121 3.665,1122 14.436,1123 18.178,1124 3.001,1125 29.668,1126 14.041,1127 1.775,1128 6.4,1129 25.581,1130 3.18,1131 15.571,1132 19.626,1133 3.216,1134 32.099,1135 15.145,1136 1.577,1137 4.878,1138 27.486,1139 2.631,1140 16.74,1141 21.141,1142 3.46,1143 34.551,1144 16.285,1145 1.374,1146 3.467,1147 29.396,1148 2.455,1149 17.894,1150 22.617,1151 3.689,1152 36.993,1153 17.408,1154 5531,1155 8859,1156 18.781,1157 29.017,1158 40.342,1159 40.56,1160 41.082,1161 40.271,1162 40.252,1163 52.767,1164 5.261,1165 113.995,1166 38.382,1167 5.603,1168 5.613,1169 6.749,1170 5.333,1171 5.26,1172 7.504,1173 2.137,1174 19.317,1175 5.16,1176 5.641,1177 1.494,1178 1.502,1179 1.522,1180 1.492,1181 1.491,1182 1.954,1183 0.195,1184 4.222,1185 1.422,1186 4.094,1187 4.12,1188 4.057,1189 4.018,1190 6.469,1191 4.024,1192 3.883,1193 3.927,1194 3.821,1195 3.769,1196 4.948,1197 3.776,1198 3.724,1199 3.778,1200 3.613,1201 3.531,1202 4.873,1203 3.543,1204 3.468,1205 3.506,1206 3.38,1207 3.361,1208 4.617,1209 3.359,1210 3.111,1211 3.206,1212 2.991,1213 2.957,1214 4.321,1215 2.956,1216 3.097,1217 3.151,1218 2.916,1219 2.941,1220 3.943,1221 2.91,1222 3.007,1223 3.042,1224 2.866,1225 2.819,1226 3.829,1227 2.836,1228 2.786,1229 2.866,1230 2.634,1231 2.618,1232 3.794,1233 2.61,1234 0.17,1235 0.134,1236 0.257,1237 0.157,1238 0.121,1239 4.603,1240 0.167,1241 3.613,1242 0.047,1243 6.947,1244 0.434,1245 4.23,1246 0.117,1247 3.26,1248 4.504,1249 1.277,1250 11.718,1251 3.16,1252 2.046,1253 2.025,1254 2.116,1255 2.139,1256 1.317,1257 2.133,1258 1.846,1259 1.807,1260 1.97,1261 1.994,1262 1.168,1263 1.99,1264 1.675,1265 1.62,1266 1.881,1267 1.887,1268 0.979,1269 1.888,1270 1.456,1271 1.419,1272 1.623,1273 1.592,1274 0.825,1275 1.603,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.727,1281 1.429,1282 1.078,1283 1.029,1284 1.3,1285 1.27,1286 0.455,1287 1.28,1288 0.928,1289 0.893,1290 1.111,1291 1.187,1292 0.189,1293 1.158,1294 0.78,1295 0.707,1296 1.077,1297 1.009,1298 0.13,1299 1.041,1300 4.007,1302 5.313,1304 6.849,1306 8.487,1308 10.177,1314 10.864,1315 2.994,1318 5.485,1320 -0.11,1321 2.301,1326 27.708,1327 65.153,1328 148.619,1329 185.678,1330 207.329,1331 213.329,1332 213.329,1333 34.074,1334 7.103,1335 58.48,1336 58.48,1337 24,1338 12.514,1339 4.17,1340 3.248,1341 33.445,1342 68,1343 70,1344 0.234,1345 168.408,1346 284.58,1347 402.674,1348 9850,1350 16.355,1351 0.681,1352 0.554,1353 16.355,1354 13.299,1355 11.843,1356 0.439,1357 0.301,1358 8.021,1359 11.4,1360 7.888,1361 6.467,1362 11.843,1363 8.137,1364 10.182,1365 0.275,1366 0.159,1367 10.182,1368 5.884,1369 9.072,1370 0.174,1371 0.086,1372 9.072,1373 4.452,1374 7.939,1375 0.112,1376 0.046,1377 7.939,1378 3.282,1379 6.751,1380 0.073,1381 0.025,1382 6.751,1383 2.354,1384 0.349,1385 74.121,1386 0.231,1387 22.74,1388 0.707,1389 128,1390 352.821,1391 138.838,1392 340.146,1393 471.05,1394 322,1395 153,1396 345.061,1397 165.171,1398 349.787,1399 517.01,1400 331,1401 4.126}
{0 CHEMBL1530859,1 1.459,2 10.423,3 3.892,4 15.144,5 99.406,6 7.477,7 0.571,8 3.936,9 4.034,10 3.504,11 3.484,12 5.081,13 3.469,14 4.455,15 4.613,16 3.88,17 3.827,18 5.616,19 3.81,20 4.638,21 4.792,22 3.942,23 3.962,24 5.774,25 3.945,26 4.66,27 4.805,28 3.998,29 4.094,30 5.8,31 4.039,32 4.831,33 5.008,34 3.917,35 4.156,36 5.943,37 4.051,38 4.909,39 5.165,40 3.786,41 4.037,42 5.91,43 3.903,44 4.661,45 4.889,46 3.639,47 3.727,48 5.744,49 3.654,50 4.425,51 4.619,52 3.497,53 3.53,54 5.705,55 3.486,56 0.02,57 0.608,58 9.197,59 4.556,60 6.313,61 5.572,62 0.227,63 0.976,64 17.789,65 7.278,66 28.784,67 9.287,68 0.447,69 1.148,70 22.472,71 7.975,72 49.313,73 9.49,74 0.195,75 1.236,76 20.788,77 9.304,78 19.696,79 11.781,80 0.316,81 1.404,82 26.144,83 11.379,84 45.283,85 14.71,86 0.353,87 1.44,88 31.781,89 12.41,90 56.66,91 17.25,92 0.395,93 1.089,94 25.11,95 8.709,96 48.134,97 11.393,98 0.405,99 0.86,100 19.308,101 6.503,102 61.748,103 8.079,104 50,105 40,106 0.248,107 0.578,108 0.721,109 0.829,110 0.839,111 0.839,112 3.305,113 0.91,114 -4.63,115 -4.55,116 -4.28,120 44.7,121 4,126 1,143 7,144 2,145 3,153 2,158 1,159 1,174 5,176 1,177 15,185 7,189 9,197 7,200 1,201 6,209 17,213 2,214 3,222 18,226 1,227 6,235 8,239 1,240 10,247 2,251 1,252 7,260 2,263 1,264 3,271 6,274 1012,275 17.215,276 17.215,277 17.215,278 17.215,279 17.215,280 15,281 19.836,282 10.114,283 17.586,284 13.778,285 13.778,286 13.778,287 13.778,288 13.778,289 10.349,290 18.698,291 4.696,292 14.314,293 4.095,294 2.157,295 1.313,296 0.676,297 0.617,298 0.617,299 3.981,305 1,306 1,307 1,308 563,309 3.606,312 56.878,313 144.711,316 105.272,320 1.642,321 26.403,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56.5,333 271,334 4.824,335 3.688,336 7.18,337 4.381,338 3.41,339 4.79,340 2.443,341 12.584,342 3.317,343 4.096,344 3.646,345 6.233,346 3.684,347 2.713,348 3.704,349 1.277,350 9.078,351 2.632,352 3.916,353 3.253,354 5.779,355 3.53,356 2.569,357 3.375,358 0.86,359 7.738,360 2.47,361 3.755,362 2.879,363 5.385,364 3.358,365 2.404,366 3.15,367 0.286,368 7.02,369 2.276,370 3.539,371 2.691,372 5.305,373 3.136,374 2.158,375 2.81,377 6.575,378 2.084,379 3.251,380 2.354,381 4.881,382 2.811,383 1.816,384 2.463,386 5.037,387 1.789,388 3.073,389 2.07,390 4.442,391 2.665,392 1.676,393 2.249,395 4.45,396 1.649,397 2.94,398 1.701,399 4.34,400 2.446,401 1.435,402 2.08,404 3.754,405 1.442,406 2.5,407 1.438,408 3.603,409 2.017,410 1.099,411 1.5,413 2.275,414 1,415 2.249,416 1,417 3.414,418 2,419 1,420 1.2,422 2.069,423 0.998,424 2.101,425 0.93,426 3.17,427 1.674,428 0.692,429 0.958,431 1.649,432 0.675,433 1.273,434 0.743,435 2.856,436 0.943,437 -0.032,438 -0.038,440 -0.068,441 -0.031,442 1.221,443 0.47,444 2.717,445 0.877,446 -0.064,447 -0.078,449 -0.169,450 -0.06,451 0.857,452 0.19,453 2.427,454 0.554,455 -0.398,456 -0.456,458 -0.845,459 -0.377,460 0.655,461 0.138,462 2.213,463 0.187,464 -0.788,465 -0.96,467 -1.733,468 -0.75,469 12.233,470 0.471,471 0.754,472 0.029,473 34.25,474 1.317,475 18,476 0.692,477 16.25,478 0.625,479 21.404,480 0.823,481 27.967,482 0.595,483 26.587,484 1.023,485 6.916,486 0.266,487 5.502,488 0.212,489 0.218,491 0.401,496 0.708,497 1.273,498 0.757,499 1.138,500 0.586,501 0.987,502 0.799,503 1.115,504 0.675,505 0.934,506 0.504,507 0.806,508 1.638,509 0.797,510 1.086,511 0.675,512 1.271,513 0.747,514 0.75,515 1.153,516 0.992,517 1.134,518 0.65,519 1.108,520 0.734,521 1.173,522 1.165,523 1.263,524 1.066,525 1.292,526 0.517,527 1.029,528 0.811,529 1.05,530 0.634,531 1.001,532 1.2,533 0.966,534 0.955,535 0.947,536 1.063,537 0.911,538 1.467,539 0.937,540 1.127,541 0.971,542 1.094,543 0.97,544 5.5,545 0.099,546 2.667,547 2.924,548 1.891,549 1.223,550 0.828,551 0.605,552 0.245,553 0.176,554 6859,555 19854,556 1.992,557 44.7,559 9,563 9,564 3,567 1.696,568 1.814,569 3.284,570 -0.798,572 1,575 68.588,576 1.459,577 3.398,578 4.242,579 4.879,580 4.937,581 4.937,582 2.83,583 4.239,584 4.659,585 3.446,586 1119.8,587 8.109,588 13485.1,590 1,592 1,593 261.066,594 1.549,595 4.601,596 0.196,597 0.008,598 0.067,599 0.068,600 0.042,601 0.031,602 0.025,603 0.022,604 0.01,605 0.01,606 0.48,607 0.33,608 1,609 1.313,610 125.413,611 -0.009,612 -0.164,613 0.056,614 -0.088,615 -0.066,616 -0.02,617 0.114,618 -0.061,619 0.243,620 0.065,621 0.146,622 0.156,623 -0.33,624 0.282,625 -0.111,626 0.28,627 -0.218,628 0.155,629 -0.033,630 -0.067,631 -0.135,632 -0.116,633 0.023,634 -0.139,635 -0.009,636 -0.152,637 -0.274,638 -0.249,639 -0.132,640 -0.304,641 0.152,642 -0.098,643 0.163,644 -0.057,645 0.104,646 0.036,647 -0.046,648 -0.013,649 0.081,650 0.003,651 -0.021,652 0.055,653 -0.084,654 0.057,655 -0.089,656 -0.037,657 0.179,658 -0.05,659 2.059,660 5.257,661 0.577,662 25.751,663 1.005,664 1.117,665 3.403,666 11.577,667 0.669,668 3.367,669 3.714,670 4.007,671 4.357,672 4.595,673 4.762,674 4.949,675 5.063,676 5.043,677 5.05,678 5.887,679 0.641,680 351.43,681 3.367,682 4.92,683 5.784,684 6.693,685 7.588,686 8.511,687 9.422,688 10.351,689 11.272,690 12.204,691 2.1,699 1,708 2,709 7,714 5,715 1,716 16,721 1,735 1,738 47,739 18,740 2,741 28,743 49,744 21,745 14,746 5,747 7,748 1,752 3,753 4,759 4,768 16,769 5,772 2,778 2,782 2,786 1,789 21,790 4,792 5,797 1,803 0.667,804 4,818 1,822 1,823 2,826 1,841 1,855 2,859 4,862 26,869 1,872 2,886 8.5,889 2,891 2,893 14.333,894 9.95,895 5.778,896 2.942,898 3.243,899 1.444,900 0.963,901 5.144,902 10.551,903 3.664,904 4.314,905 4.95,906 5.663,907 6.264,908 6.717,909 7.222,910 7.673,911 7.929,912 8.256,913 1,914 43,915 9.6,917 4.01,918 7.865,919 18.098,921 14.41,924 2.365,925 61.5,928 1,929 247.193,930 142.455,931 1.899,933 72.29,936 142.455,937 319.483,938 1.899,939 35.301,940 4.592,941 66.334,942 62.615,943 42.901,944 4.901,945 247.193,947 247.193,948 144.354,949 72.29,952 211.88,953 107.603,956 41.792,957 102.562,960 247.193,961 74.189,962 142.455,965 247.193,966 40.82,967 103.534,969 72.29,970 247.193,971 74.189,972 142.455,973 0.58,974 0.334,975 0.198,976 0.11,977 19,978 10,979 0.122,980 6,981 1,982 1.133,983 3.604,984 223.143,985 0.133,986 15,987 118.211,993 18.214,994 7.344,995 3.542,996 1.649,997 72.29,998 13.075,1003 3.633,1004 2.027,1006 463.837,1007 38,1013 23.497,1017 -0.423,1020 47.247,1021 52.488,1022 0.263,1023 0.612,1024 0.764,1025 0.878,1026 0.889,1027 0.889,1028 4.905,1029 1.435,1030 5.796,1031 4.45,1032 4.394,1033 5.001,1034 2.759,1035 6.668,1036 4.33,1037 6.148,1038 1.099,1039 7.392,1040 3.754,1041 4.111,1042 4.987,1043 2.243,1044 7.716,1045 4.028,1046 7.485,1047 1,1048 9.092,1049 2.275,1050 6.033,1051 7.297,1052 3.97,1053 10.875,1054 5.902,1055 8.86,1056 0.692,1057 10.853,1058 2.069,1059 6.553,1060 8.108,1061 4.269,1062 12.801,1063 6.4,1064 10.269,1065 -0.032,1066 12.656,1067 1.649,1068 7.999,1069 9.945,1070 5.525,1071 15.519,1072 7.812,1073 11.705,1074 -0.064,1075 14.49,1076 -0.068,1077 8.897,1078 11.157,1079 6.158,1080 17.816,1081 8.685,1082 13.162,1083 -0.398,1084 16.348,1085 -0.169,1086 10.174,1087 12.814,1088 7.219,1089 20.399,1090 9.935,1091 3.41,1092 -0.788,1093 18.226,1094 -0.845,1095 11.248,1096 14.22,1097 7.992,1098 22.842,1099 10.984,1100 2.713,1101 12.584,1102 20.119,1103 -1.733,1104 12.472,1105 15.811,1106 8.966,1107 25.385,1108 12.183,1109 2.569,1110 9.078,1111 22.025,1112 4.79,1113 13.627,1114 17.305,1115 9.802,1116 27.884,1117 13.311,1118 2.404,1119 7.738,1120 23.942,1121 3.704,1122 14.839,1123 18.874,1124 10.734,1125 30.417,1126 14.499,1127 2.158,1128 7.02,1129 25.868,1130 3.375,1131 16.03,1132 20.408,1133 11.599,1134 32.936,1135 15.663,1136 1.816,1137 6.575,1138 27.802,1139 3.15,1140 17.243,1141 21.972,1142 12.512,1143 35.467,1144 16.851,1145 1.676,1146 5.037,1147 29.741,1148 2.81,1149 18.451,1150 23.523,1151 13.391,1152 37.994,1153 18.033,1154 6940,1155 11922,1156 17.918,1157 31.438,1158 42.628,1159 43.808,1160 44.608,1161 41.956,1162 41.945,1163 56.554,1164 9.733,1165 124.454,1166 40.667,1167 5.554,1168 5.688,1169 6.95,1170 5.415,1171 5.41,1172 7.79,1173 4.174,1174 20.095,1175 5.317,1176 16.005,1177 1.522,1178 1.565,1179 1.593,1180 1.498,1181 1.498,1182 2.02,1183 0.348,1184 4.445,1185 1.452,1186 4.18,1187 4.205,1188 4.155,1189 4.093,1190 7.434,1191 4.105,1192 3.853,1193 3.872,1194 3.796,1195 3.779,1196 7.427,1197 3.779,1198 3.614,1199 3.631,1200 3.552,1201 3.448,1202 4.964,1203 3.463,1204 3.477,1205 3.537,1206 3.364,1207 3.269,1208 4.8,1209 3.275,1210 3.445,1211 3.489,1212 3.287,1213 3.233,1214 4.479,1215 3.24,1216 3.31,1217 3.379,1218 3.155,1219 3.122,1220 4.275,1221 3.12,1222 2.97,1223 3.047,1224 2.808,1225 2.805,1226 3.992,1227 2.799,1228 2.886,1229 2.957,1230 2.693,1231 2.748,1232 3.78,1233 2.724,1234 0.172,1235 0.132,1236 0.256,1237 0.156,1238 0.122,1239 4.824,1240 0.171,1241 3.688,1242 0.087,1243 7.18,1244 0.449,1245 4.381,1246 0.118,1247 3.41,1248 4.79,1249 2.443,1250 12.584,1251 3.317,1252 1.964,1253 1.943,1254 2.04,1255 2.069,1256 1.186,1257 2.061,1258 1.875,1259 1.857,1260 1.97,1261 1.969,1262 1.102,1263 1.968,1264 1.632,1265 1.6,1266 1.814,1267 1.803,1268 0.945,1269 1.804,1270 1.456,1271 1.395,1272 1.765,1273 1.702,1274 0.876,1275 1.715,1276 1.411,1277 1.362,1278 1.684,1279 1.656,1280 0.697,1281 1.667,1282 1.303,1283 1.233,1284 1.63,1285 1.538,1286 0.674,1287 1.57,1288 0.963,1289 0.914,1290 1.218,1291 1.188,1292 0.324,1293 1.196,1294 0.917,1295 0.843,1296 1.181,1297 1.092,1298 0.264,1299 1.121,1300 4.043,1302 5.38,1303 2.398,1304 6.913,1305 4.949,1306 8.544,1307 7.235,1308 10.233,1310 6.755,1315 0.609,1318 10.677,1326 30.149,1327 68.588,1328 159.705,1329 199.375,1330 229.291,1331 232.046,1332 232.046,1333 47.856,1334 7.308,1335 57.53,1336 57.53,1337 17,1338 12.707,1339 4.248,1340 3.459,1341 44.14,1342 89,1343 116,1344 0.25,1345 186.462,1346 324.48,1347 446.728,1348 12566,1350 18.845,1351 0.725,1352 0.59,1353 18.845,1354 15.329,1355 12.418,1356 0.443,1357 0.303,1358 8.385,1359 11.886,1360 8.037,1361 6.711,1362 12.418,1363 8.497,1364 11.464,1365 0.287,1366 0.151,1367 11.464,1368 6.052,1369 8.974,1370 0.166,1371 0.078,1372 8.974,1373 4.195,1374 8.308,1375 0.108,1376 0.042,1377 8.308,1378 3.262,1379 6.462,1380 0.066,1381 0.021,1382 6.462,1383 2.096,1384 0.382,1385 77.887,1386 0.236,1387 24.726,1388 0.72,1389 136,1390 434.587,1391 151.259,1392 409.692,1393 560.63,1394 384,1395 162,1396 417.225,1397 174.966,1398 415.612,1399 610.23,1400 393,1401 4.609}
{0 CHEMBL1530922,1 1.47,2 11.552,3 4.407,4 19.418,5 112.432,6 7.947,7 0.656,8 3.97,9 4.072,10 3.6,11 3.589,12 5.167,13 3.573,14 4.45,15 4.587,16 3.919,17 3.957,18 5.578,19 3.921,20 4.677,21 4.86,22 3.912,23 4.041,24 5.77,25 3.967,26 4.723,27 4.934,28 3.877,29 4.02,30 5.882,31 3.939,32 4.659,33 4.864,34 3.902,35 4.013,36 5.806,37 3.94,38 4.671,39 4.868,40 3.97,41 4.021,42 5.916,43 3.968,44 4.614,45 4.79,46 3.867,47 3.985,48 5.873,49 3.917,50 4.612,51 4.829,52 3.676,53 3.863,54 5.806,55 3.774,56 0.011,57 0.637,58 8.146,59 4.067,60 9.301,61 4.942,62 0.128,63 1.032,64 14.754,65 6.612,66 16.261,67 8.147,68 0.199,69 1.26,70 21.094,71 8.992,72 34.547,73 11.435,74 0.288,75 1.363,76 23.433,77 9.13,78 64.103,79 11.842,80 0.228,81 1.257,82 21.498,83 8.855,84 39.589,85 11.745,86 0.253,87 1.277,88 21.768,89 8.827,90 45.988,91 11.372,92 0.188,93 1.184,94 19.473,95 8.295,96 47.948,97 10.422,98 0.228,99 1.213,100 21.301,101 8.02,102 57.278,103 10.25,104 6,105 43,106 0.244,107 0.576,108 0.72,109 0.851,110 0.884,111 0.884,112 3.408,113 0.871,114 -3.19,115 -3.18,116 -3.06,120 50,126 2,136 1,137 1,143 11,144 3,152 2,153 2,159 2,174 14,177 8,180 1,182 1,185 13,189 7,192 1,194 2,197 9,200 1,201 6,204 1,206 2,209 7,213 1,214 5,219 1,222 13,226 2,227 4,230 1,232 1,235 17,239 1,240 6,245 2,247 15,252 6,257 2,260 9,263 1,264 6,269 2,271 4,274 1476,275 20.146,276 20.146,277 20.146,278 20.146,279 20.146,280 17.233,281 18.424,282 12.192,283 20.276,284 15.781,285 15.781,286 15.781,287 15.781,288 15.781,289 11.329,290 24.718,291 5.752,292 15.989,293 4.115,294 2.112,295 1.243,296 0.45,297 0.25,298 0.25,299 4.106,306 1,307 1,308 729,309 3.742,312 155.645,313 170.83,316 124.589,320 1.781,321 22.521,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 61.5,333 335,334 4.656,335 4.099,336 6.759,337 4.182,338 3.209,339 4.617,340 2.035,341 11.117,342 3.128,343 4.196,344 3.488,345 6.037,346 3.772,347 2.773,348 3.587,349 1.081,350 8.611,351 2.763,352 3.918,353 3.245,354 5.615,355 3.531,356 2.538,357 3.472,358 0.522,359 7.48,360 2.521,361 3.904,362 2.743,363 5.351,364 3.502,365 2.504,366 3.448,367 0.473,368 6.99,369 2.499,370 3.459,371 2.729,372 5.267,373 3.032,374 2.054,375 2.807,377 6.408,378 2.006,379 3.326,380 2.214,381 4.83,382 2.855,383 1.878,384 2.668,386 5.232,387 1.827,388 3.317,389 1.975,390 4.159,391 2.489,392 1.511,393 2.077,395 3.676,396 1.472,397 2.886,398 1.75,399 3.72,400 2.432,401 1.435,402 2.051,404 3.091,405 1.43,406 2.771,407 1.54,408 3.591,409 2.22,410 1.22,411 1.761,413 2.791,414 1.218,415 2.664,416 1.506,417 3.527,418 2.157,419 1.162,420 1.669,422 2.622,423 1.152,424 2.565,425 1.208,426 3.437,427 2,428 1,429 1.5,431 2.294,432 1,433 2.5,434 1,435 3.247,436 1.92,437 0.935,438 1.342,440 2.136,441 0.919,442 2.254,443 0.966,444 3,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 2.118,452 0.904,453 2.887,454 1.371,455 0.411,456 0.643,458 0.783,459 0.391,460 1.658,461 0.618,462 2.77,463 1.189,464 0.208,465 0.321,467 0.405,468 0.203,469 13.867,470 0.478,471 0.516,472 0.018,473 42.25,474 1.457,475 24,476 0.828,477 18.25,478 0.629,479 19.366,480 0.668,481 28.733,482 0.599,483 32.119,484 1.108,485 8.72,486 0.301,487 5.522,488 0.19,489 0.053,491 0.281,496 0.757,497 1.112,498 0.719,499 0.947,500 0.503,501 0.846,502 0.901,503 1.051,504 0.92,505 0.989,506 0.547,507 0.957,508 0.972,509 1.151,510 1.028,511 1.091,512 0.765,513 1.08,514 1,515 0.994,516 1.046,517 0.972,518 0.963,519 1.003,520 0.664,521 0.994,522 0.859,523 0.953,524 0.807,525 0.929,526 0.917,527 0.866,528 0.833,529 0.88,530 1.384,531 0.85,532 1.036,533 1.136,534 1.064,535 1.111,536 1.335,537 1.1,538 1.243,539 1.034,540 1.177,541 1.021,542 1.719,543 1.066,544 4.5,545 0.082,546 2.667,547 1.924,548 0.943,549 1.039,550 0.626,551 0.347,552 0.293,553 0.179,554 11254,555 30458,556 2.132,557 39.6,559 16,560 2,562 1,567 1.722,568 2.047,569 3.499,570 -0.405,572 1,575 70.574,576 1.47,577 3.473,578 4.342,579 5.135,580 5.335,581 5.335,582 2.922,583 4.513,584 4.826,585 3.664,586 1487.42,587 8.423,588 20383.3,590 1,592 1,593 268.078,594 1.178,595 4.812,596 0.141,597 0.003,598 0.062,599 0.047,600 0.024,601 0.025,602 0.014,603 0.009,604 0.009,605 0.007,606 0.342,607 0.33,608 1,609 0.601,610 147.754,611 -0.026,612 -0.086,613 0.046,614 -0.024,615 0.008,616 0.014,617 -0.012,618 -0.02,619 -0.078,620 -0.06,621 -0.007,622 -0.072,623 -0.019,624 -0.179,625 -0.089,626 -0.119,627 0.007,628 -0.122,629 -0.023,630 0.025,631 -0.061,632 -0.011,633 0.083,634 -0.038,635 0.145,636 -0.005,637 0.101,638 0.025,639 0.088,640 0.056,641 0.102,642 0.135,643 0.138,644 0.088,645 -0.008,646 0.111,647 -0.034,648 -0.154,649 -0.134,650 -0.147,651 -0.058,652 -0.157,653 -0.184,654 -0.01,655 -0.173,656 -0.064,657 -0.226,658 -0.102,659 2.094,660 5.457,661 0.69,662 30.031,663 1.001,664 1.109,665 1.96,666 3.84,667 0.709,668 3.497,669 3.784,670 4.06,671 4.317,672 4.477,673 4.564,674 4.745,675 4.86,676 4.86,677 4.89,678 6.855,679 0.681,680 381.46,681 3.497,682 5.017,683 5.861,684 6.725,685 7.588,686 8.463,687 9.337,688 10.219,689 11.1,690 11.987,691 6.3,698 1,699 1,700 1,708 2,709 13,712 1,714 3,715 1,716 21,738 48,739 24,740 2,741 32,743 51,744 24,745 18,746 3,747 9,748 3,752 4,753 5,767 1,768 21,769 2,772 2,778 1,780 1,782 2,786 1,788 1,789 19,790 4,791 1,792 5,797 3,803 0.75,804 2,818 1,822 2,823 2,826 1,833 1,838 1,845 1,846 1,855 3,862 29,869 2,871 1,877 1,882 1,884 1,886 4.2,889 1,891 1,893 14.167,894 8.65,895 6.528,896 2.76,898 4.019,899 1.538,900 1.014,901 5.603,902 11.494,903 3.861,904 4.443,905 5.069,906 5.656,907 6.113,908 6.463,909 6.971,910 7.422,911 7.645,912 7.997,913 0.875,914 41,915 10.675,917 4.512,918 7.782,919 20.247,921 16.411,924 2.282,925 66.167,928 1,929 211.88,930 179.742,931 50.969,933 34.652,936 179.742,937 246.532,938 50.969,940 22.222,941 134.502,942 46.451,943 54.595,944 31.135,945 188.338,947 211.88,948 230.712,949 34.652,952 211.88,953 34.652,956 55.181,957 166.055,958 9.476,960 211.88,961 85.621,962 179.742,965 211.88,966 28.639,967 136.401,968 34.612,969 65.712,970 211.88,971 85.621,972 179.742,973 0.567,974 0.335,975 0.184,976 0.093,977 20,978 8,979 0.118,980 6,981 1,982 1.1,983 4.157,984 251.472,985 0.1,986 20,987 134.127,993 18.801,994 8.642,995 4.315,996 2.047,997 83.722,998 25.2,1001 5.213,1003 2.65,1004 2.131,1005 18.011,1006 477.244,1007 46.5,1013 12.457,1015 1.64,1017 -0.372,1020 48.029,1021 53.235,1022 0.263,1023 0.622,1024 0.777,1025 0.919,1026 0.955,1027 0.955,1028 5.07,1029 1.435,1030 5.814,1031 3.676,1032 4.466,1033 5.13,1034 2.534,1035 6.594,1036 4.438,1037 6.28,1038 1.22,1039 7.347,1040 3.091,1041 3.892,1042 4.783,1044 7.434,1045 3.856,1046 7.578,1047 1.162,1048 8.983,1049 2.791,1050 6.019,1051 7.352,1052 3.644,1053 10.554,1054 5.96,1055 8.915,1056 1,1057 10.684,1058 2.622,1059 6.347,1060 7.955,1062 12.299,1063 6.274,1064 10.288,1065 0.935,1066 12.429,1067 2.294,1068 7.871,1069 9.892,1070 4.985,1071 14.917,1072 7.776,1073 11.686,1074 0.618,1075 14.204,1076 2.136,1077 8.623,1078 10.961,1080 17.04,1081 8.507,1082 13.106,1083 0.411,1084 16.002,1085 1.372,1086 9.905,1087 12.641,1088 6.384,1089 19.504,1090 9.767,1091 3.209,1092 0.208,1093 17.817,1094 0.783,1095 10.862,1096 13.946,1098 21.79,1099 10.698,1100 2.773,1101 11.117,1102 19.646,1103 0.405,1104 12.05,1105 15.523,1106 7.799,1107 24.207,1108 11.861,1109 2.538,1110 8.611,1111 21.486,1112 4.617,1113 13.106,1114 16.944,1116 26.561,1117 12.888,1118 2.504,1119 7.48,1120 23.336,1121 3.587,1122 14.26,1123 18.483,1124 9.218,1125 28.967,1126 14.016,1127 2.054,1128 6.99,1129 25.195,1130 3.472,1131 15.365,1132 19.961,1134 31.35,1135 15.09,1136 1.878,1137 6.408,1138 27.06,1139 3.448,1140 16.512,1141 21.488,1142 10.638,1143 33.754,1144 16.209,1145 1.511,1146 5.232,1147 28.932,1148 2.807,1149 17.641,1150 22.992,1152 36.151,1153 17.308,1154 10622,1155 17622,1156 21.959,1157 34.017,1158 48.79,1159 50.864,1160 47.815,1161 46.915,1162 46.917,1163 65.783,1164 8.22,1165 130.016,1166 46.291,1167 5.532,1168 6.099,1169 6.561,1170 5.215,1171 5.209,1172 7.617,1173 4.069,1174 18.231,1175 5.128,1176 9.702,1177 1.525,1178 1.59,1179 1.494,1180 1.466,1181 1.466,1182 2.056,1183 0.257,1184 4.063,1185 1.447,1186 4.158,1187 4.19,1188 4.121,1189 4.076,1190 7.43,1191 4.083,1192 3.91,1193 3.925,1194 3.851,1195 3.827,1196 6.818,1197 3.818,1198 3.879,1199 3.909,1200 3.806,1201 3.745,1202 5.075,1203 3.767,1204 3.681,1205 3.703,1206 3.648,1207 3.562,1208 4.936,1209 3.577,1210 3.425,1211 3.482,1212 3.327,1213 3.278,1214 4.733,1215 3.285,1216 3.239,1217 3.314,1218 3.14,1219 3.03,1220 4.308,1221 3.039,1222 3.07,1223 3.127,1224 2.976,1225 2.935,1226 4.081,1227 2.938,1228 2.862,1229 2.925,1230 2.736,1231 2.751,1232 3.913,1233 2.738,1234 0.145,1235 0.128,1236 0.211,1237 0.131,1238 0.1,1239 4.656,1240 0.144,1241 4.099,1242 0.064,1243 6.759,1244 0.347,1245 4.182,1246 0.098,1247 3.209,1248 4.617,1249 2.035,1250 11.117,1251 3.128,1252 1.963,1253 1.937,1254 2.066,1255 2.057,1256 1.218,1257 2.061,1258 1.899,1259 1.873,1260 2.01,1261 1.972,1262 1.127,1263 1.985,1264 1.714,1265 1.684,1266 1.816,1267 1.876,1268 0.946,1269 1.858,1270 1.569,1271 1.529,1272 1.728,1273 1.739,1274 0.865,1275 1.734,1276 1.426,1277 1.382,1278 1.594,1279 1.588,1280 0.658,1281 1.598,1282 1.347,1283 1.316,1284 1.524,1285 1.577,1286 0.586,1287 1.553,1288 1.106,1289 1.067,1290 1.279,1291 1.293,1292 0.328,1293 1.286,1294 0.897,1295 0.847,1296 1.181,1297 1.19,1298 0.218,1299 1.165,1300 4.174,1302 5.468,1303 3.045,1304 6.95,1305 5.352,1306 8.517,1307 7.413,1308 10.131,1315 0.947,1317 2.721,1324 9.52,1325 2.013,1326 32.708,1327 70.574,1328 166.721,1329 208.415,1330 246.469,1331 256.078,1332 256.078,1333 46.076,1334 7.475,1335 70.96,1336 70.96,1337 22,1338 12.52,1339 4.644,1340 3.954,1341 44.587,1342 116,1343 118,1344 0.182,1345 201.732,1346 346.98,1347 483.987,1348 18148,1350 20.054,1351 0.692,1352 0.542,1353 20.054,1354 15.708,1355 14.242,1356 0.445,1357 0.29,1358 9.187,1359 13.836,1360 8.991,1361 7.473,1362 14.242,1363 9.286,1364 12.217,1365 0.284,1366 0.155,1367 12.217,1368 6.647,1369 10.492,1370 0.184,1371 0.082,1372 10.492,1373 4.683,1374 8.714,1375 0.118,1376 0.044,1377 8.714,1378 3.281,1379 6.564,1380 0.075,1381 0.024,1382 6.564,1383 2.12,1384 0.286,1385 88.317,1386 0.213,1387 27.693,1388 0.499,1389 150,1390 433.094,1391 160.587,1392 427.662,1393 584.58,1394 400,1395 175,1396 428.268,1397 186.199,1398 438.117,1399 632.49,1400 412,1401 4.449}
{0 CHEMBL1531184,1 1.674,2 10.815,3 1.784,4 3.182,5 94.501,6 8.35,7 0.4,8 3.926,9 4.021,10 3.582,11 3.426,12 5.124,13 3.455,14 4.459,15 4.587,16 3.978,17 3.809,18 5.688,19 3.827,20 4.722,21 4.881,22 4.091,23 3.942,24 5.974,25 3.96,26 4.727,27 4.884,28 4.027,29 3.883,30 6.167,31 3.895,32 4.707,33 4.887,34 3.879,35 3.782,36 6.209,37 3.767,38 4.53,39 4.726,40 3.656,41 3.672,42 5.762,43 3.631,44 4.46,45 4.663,46 3.651,47 3.613,48 5.705,49 3.576,50 4.416,51 4.604,52 3.552,53 3.501,54 5.667,55 3.489,56 0.143,57 0.648,58 7.22,59 3.782,60 11.754,61 4.196,62 0.49,63 1.03,64 14.91,65 6.371,66 32.079,67 7.403,68 0.753,69 1.265,70 22.105,71 7.883,72 60.52,73 9.102,74 0.779,75 1.239,76 22.104,77 7.758,78 91.108,79 8.91,80 1.03,81 1.151,82 24.163,83 7.77,84 148.443,85 9.253,86 0.622,87 0.999,88 19.88,89 6.895,90 71.264,91 8.565,92 0.532,93 0.928,94 18.635,95 6.739,96 47.036,97 8.751,98 0.619,99 0.838,100 18.513,101 6.037,102 70.604,103 7.057,104 17,105 43,106 0.288,107 0.627,108 0.766,109 0.859,110 0.882,111 0.89,112 3.34,113 0.848,114 -2.32,115 -2.36,116 -2.32,120 43.2,121 1,126 2,128 1,143 7,144 1,145 4,159 2,160 1,174 5,176 2,177 5,180 3,182 4,185 5,188 2,189 6,192 1,194 4,197 3,200 1,201 11,204 2,206 2,209 1,213 2,214 8,217 4,218 1,219 1,222 3,226 1,227 3,232 1,235 3,239 2,240 7,245 4,247 3,251 1,252 4,257 2,260 3,263 2,264 1,267 1,271 5,274 1062,275 18.206,276 18.206,277 18.206,278 18.206,279 18.206,280 16.403,281 26.265,282 10.586,283 18.627,284 14.774,285 14.774,286 14.774,287 14.774,288 14.774,289 11.845,290 36.967,291 4.998,292 15.418,293 3.786,294 1.819,295 1.009,296 0.472,297 0.335,298 0.29,299 4.036,305 1,306 1,307 1,308 644,309 3.317,313 281.574,317 238.984,320 1.553,321 41.794,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.5,333 292,334 4.502,335 3.998,336 6.928,337 4.237,338 3.267,339 4.015,340 1.967,341 11.523,342 3.164,343 4.285,344 3.637,345 6.25,346 3.884,347 2.934,348 3.921,349 1.715,350 9.276,351 2.794,352 4.014,353 3.327,354 6.18,355 3.727,356 2.748,357 3.292,358 1.058,359 9.112,360 2.673,361 3.674,362 3.249,363 5.594,364 3.323,365 2.361,366 2.956,367 0.86,368 7.261,369 2.263,370 3.418,371 2.682,372 5.182,373 3.055,374 2.064,375 2.626,376 0.86,377 6.066,378 2.026,379 3.369,380 2.443,381 5.157,382 2.99,383 1.992,384 2.57,385 0.295,386 5.955,387 1.97,388 2.923,389 2.177,390 4.416,391 2.53,392 1.618,393 2.061,394 0.143,395 4.365,396 1.469,397 2.88,398 2.113,399 4.05,400 2.423,401 1.437,402 2.035,404 3.135,405 1.416,406 2.595,407 1.799,408 3.785,409 2.325,410 1.399,411 1.572,413 3.027,414 1.279,415 2.477,416 1.538,417 3.62,418 2.136,419 1.129,420 1.473,422 2.898,423 1.127,424 2.307,425 1.312,426 3.574,427 1.9,428 0.883,429 1.137,431 2.181,432 0.888,433 1.913,434 1.021,435 3.177,436 1.587,437 0.679,438 0.81,440 1.574,441 0.609,442 1.288,443 0.914,444 3.003,445 0.932,446 -0.057,447 -0.069,449 -0.15,450 -0.055,451 1.214,452 0.544,453 2.686,454 0.869,455 -0.127,456 -0.163,458 -0.312,459 -0.125,460 1.175,461 0.499,462 2.504,463 0.79,464 -0.227,465 -0.279,467 -0.538,468 -0.227,469 12.367,470 0.458,471 0.716,472 0.027,473 37,474 1.37,475 18.5,476 0.685,477 18.5,478 0.685,479 19.707,480 0.73,481 29.033,482 0.66,483 29.48,484 1.092,485 7.481,486 0.277,487 5.561,488 0.206,489 0.121,491 0.396,496 0.767,497 1.343,498 0.673,499 1.096,500 0.558,501 0.895,502 0.799,503 1.126,504 0.777,505 1.013,506 0.589,507 0.921,508 1.118,509 1.029,510 0.945,511 0.932,512 0.992,513 0.888,514 1.186,515 1.186,516 1.099,517 1.123,518 1.309,519 1.085,520 1.141,521 0.899,522 1.138,523 0.926,524 1.497,525 1.014,526 1.005,527 1.032,528 1.079,529 1.02,530 1.189,531 1.053,532 0.751,533 1.046,534 0.855,535 1.054,536 0.814,537 0.996,538 1.369,539 0.902,540 1.11,541 0.899,542 1.445,543 0.928,544 5,545 0.107,546 3.333,547 2.375,548 2.213,549 0.889,550 0.69,551 0.368,552 0.308,553 0.198,554 9066,555 27683,556 2.097,557 38.6,559 12,562 2,564 3,567 1.7,568 1.952,569 3.395,570 0.304,571 1,572 1,575 73.653,576 1.674,577 3.64,578 4.45,579 4.988,580 5.124,581 5.17,582 2.865,583 4.533,584 4.73,585 3.534,586 1240.46,587 8.205,588 15654.4,590 1,592 1,593 240.215,594 1.447,595 4.681,596 0.167,597 0.005,598 0.078,599 0.051,600 0.053,601 0.025,602 0.024,603 0.013,604 0.012,605 0.009,606 0.435,607 0.5,608 1,609 0.584,610 133.213,611 -0.085,612 -0.178,613 0.042,614 -0.077,615 -0.057,616 0.003,617 0.074,618 -0.031,619 0.059,620 -0.028,621 0.025,622 -0.01,623 -0.096,624 0.013,625 -0.012,626 0.022,627 -0.088,628 0.031,629 -0.104,630 -0.157,631 -0.151,632 -0.181,633 -0.003,634 -0.177,635 0.03,636 0.073,637 -0.114,638 0.013,639 0.064,640 -0.077,641 -0.082,642 -0.058,643 -0.089,644 -0.049,645 -0.103,646 -0.061,647 0.096,648 -0.092,649 0.138,650 -0.063,651 0.073,652 0.03,653 -0.218,654 0.027,655 -0.07,656 0.064,657 -0.204,658 0.044,659 2.334,660 5.666,661 0.741,662 21.63,663 1.026,664 1.124,665 1.093,666 1.194,667 0.673,668 3.434,669 3.784,670 4.094,671 4.369,672 4.595,673 4.605,674 4.7,675 4.779,676 4.828,677 4.727,678 6.289,679 0.666,680 367.39,681 3.434,682 4.99,683 5.861,684 6.753,685 7.637,686 8.532,687 9.421,688 10.317,689 11.208,690 12.105,691 6.8,698 3,709 7,714 5,716 12,735 2,738 44,739 15,740 2,741 30,743 47,744 19,745 12,746 5,747 7,748 1,752 4,753 6,757 1,759 1,766 1,768 15,769 4,772 3,778 3,782 3,785 1,786 1,789 17,790 8,791 2,792 8,797 3,800 1,803 0.5,804 5,823 4,827 2,838 1,855 2,859 1,862 27,869 2,871 2,872 2,874 1,875 1,886 11.4,889 3,891 2,893 13.833,894 8.2,895 5.861,896 2.59,898 2.363,899 1.311,900 0.987,901 4.66,902 9.951,903 3.689,904 4.248,905 4.779,906 5.305,907 5.774,908 5.879,909 6.129,910 6.351,911 6.491,912 6.479,913 1,914 47,915 10.081,917 4.505,918 8.043,919 18.528,921 15.283,924 2.543,925 68.667,929 176.567,930 117.215,931 39.146,933 97.435,936 117.215,937 274.001,938 39.146,939 8.825,940 48.331,941 66.334,942 84.844,943 41.186,944 4.276,945 176.567,947 176.567,948 156.361,949 97.435,952 141.253,953 132.748,956 57.156,957 99.205,960 176.567,961 136.58,962 117.215,965 176.567,966 42.056,967 78.283,968 36.022,969 97.435,970 176.567,971 136.58,972 117.215,973 0.589,974 0.36,975 0.2,976 0.107,977 22,978 10,979 0.064,980 3,981 2,982 1.2,983 3.837,984 237.72,985 0.2,986 20,987 128.382,993 17.675,994 7.118,995 3.326,997 136.58,998 11.687,1003 2.405,1005 36.022,1006 430.362,1007 39,1013 37.626,1017 -1.641,1020 45.127,1021 49.448,1022 0.307,1023 0.667,1024 0.815,1025 0.914,1026 0.939,1027 0.947,1028 4.949,1029 1.437,1030 5.861,1031 4.365,1032 4.466,1033 4.934,1034 2.885,1035 6.708,1036 4.391,1037 6.147,1038 1.399,1039 7.446,1040 3.135,1041 4.111,1042 4.758,1043 2.029,1044 7.676,1045 4.025,1046 7.457,1047 1.129,1048 9.133,1049 3.027,1050 6.094,1051 7.047,1052 3.621,1053 10.814,1054 5.945,1055 8.799,1056 0.883,1057 10.88,1058 2.898,1059 6.553,1060 7.65,1061 3.531,1062 12.604,1063 6.388,1064 10.172,1065 0.679,1066 12.665,1067 2.181,1068 8.019,1069 9.448,1070 4.646,1071 15.273,1072 7.802,1073 11.566,1074 -0.057,1075 14.477,1076 1.574,1077 8.854,1078 10.415,1079 4.917,1080 17.411,1081 8.613,1082 12.978,1083 -0.127,1084 16.307,1085 -0.15,1086 10.12,1087 12.007,1088 5.813,1089 19.919,1090 9.836,1091 3.267,1092 -0.227,1093 18.152,1094 -0.312,1095 11.129,1096 13.159,1097 6.263,1098 22.214,1099 10.816,1100 2.934,1101 11.523,1102 20.009,1103 -0.538,1104 12.319,1105 14.652,1106 7.051,1107 24.667,1108 11.969,1109 2.748,1110 9.276,1111 21.876,1112 4.015,1113 13.408,1114 15.903,1115 7.595,1116 27.035,1117 13.027,1118 2.361,1119 9.112,1120 23.751,1121 3.921,1122 14.572,1123 17.345,1124 8.326,1125 29.471,1126 14.157,1127 2.064,1128 7.261,1129 25.632,1130 3.292,1131 15.699,1132 18.651,1133 8.923,1134 31.874,1135 15.253,1136 1.992,1137 6.066,1138 27.519,1139 2.956,1140 16.858,1141 20.065,1142 9.624,1143 34.308,1144 16.379,1145 1.618,1146 5.955,1147 29.412,1148 2.626,1149 18.004,1150 21.402,1151 10.251,1152 36.73,1153 17.494,1154 8499,1155 14991,1156 19.997,1157 29.619,1158 45.516,1159 48.387,1160 47.3,1161 44.953,1162 45.021,1163 56.935,1164 13.797,1165 132.748,1166 43.358,1167 5.448,1168 5.998,1169 6.615,1170 5.377,1171 5.267,1172 7.015,1173 3.444,1174 19.11,1175 5.164,1176 12.6,1177 1.517,1178 1.613,1179 1.577,1180 1.498,1181 1.501,1182 1.898,1183 0.46,1184 4.425,1185 1.445,1186 4.012,1187 4.04,1188 3.972,1189 3.898,1190 7.447,1191 3.909,1192 3.938,1193 3.956,1194 3.894,1195 3.835,1196 7.426,1197 3.845,1198 3.681,1199 3.72,1200 3.609,1201 3.498,1202 7.412,1203 3.519,1204 3.467,1205 3.515,1206 3.366,1207 3.254,1208 4.952,1209 3.266,1210 3.328,1211 3.369,1212 3.231,1213 3.097,1214 4.727,1215 3.129,1216 3.095,1217 3.132,1218 3.051,1219 2.866,1220 4.383,1221 2.896,1222 3.039,1223 3.102,1224 2.865,1225 2.809,1226 4.213,1227 2.815,1228 2.881,1229 2.922,1230 2.753,1231 2.697,1232 4.08,1233 2.698,1234 0.15,1235 0.133,1236 0.231,1237 0.141,1238 0.109,1239 4.502,1240 0.134,1241 3.998,1242 0.066,1243 6.928,1244 0.384,1245 4.237,1246 0.105,1247 3.267,1248 4.015,1249 1.967,1250 11.523,1251 3.164,1252 1.936,1253 1.912,1254 2.026,1255 2.074,1256 1.14,1257 2.055,1258 1.892,1259 1.875,1260 1.985,1261 2.025,1262 1.105,1263 2.011,1264 1.619,1265 1.575,1266 1.816,1267 1.824,1268 0.998,1269 1.819,1270 1.415,1271 1.363,1272 1.679,1273 1.648,1274 0.912,1275 1.657,1276 1.226,1277 1.186,1278 1.391,1279 1.496,1280 0.386,1281 1.47,1282 0.99,1283 0.95,1284 1.233,1285 1.291,1286 0.242,1287 1.286,1288 0.983,1289 0.917,1290 1.188,1291 1.235,1292 0.227,1293 1.202,1294 0.843,1295 0.793,1296 1.1,1297 1.075,1298 0.162,1299 1.079,1300 4.111,1302 5.451,1304 7.002,1306 8.65,1308 10.348,1310 1.499,1315 0.909,1317 5.336,1318 10.935,1320 -1.001,1321 0.912,1326 29.326,1327 73.653,1328 160.157,1329 195.809,1330 219.46,1331 225.46,1332 227.46,1333 58.923,1334 7.587,1335 102.42,1336 102.42,1337 24,1338 12.63,1339 4,1340 3.322,1341 40.274,1342 102,1343 98,1344 0.192,1345 177.469,1346 319.21,1347 424.784,1348 21670,1350 18.966,1351 0.702,1352 0.538,1353 18.966,1354 14.521,1355 13.042,1356 0.435,1357 0.283,1358 8.319,1359 12.369,1360 8.183,1361 6.713,1362 13.042,1363 8.485,1364 11.914,1365 0.277,1366 0.144,1367 11.914,1368 6.175,1369 10.44,1370 0.177,1371 0.075,1372 10.44,1373 4.413,1374 8.961,1375 0.115,1376 0.039,1377 8.961,1378 3.013,1379 7.125,1380 0.073,1381 0.02,1382 7.125,1383 2.005,1384 0.3,1385 83.115,1386 0.224,1387 25.823,1388 0.529,1389 146,1390 512.989,1391 167.083,1392 477.479,1393 643.57,1394 446,1395 175,1396 468.198,1397 196.419,1398 463.745,1399 687.73,1400 438,1401 6.424}
{0 CHEMBL1531245,1 1.873,2 9.857,3 2.694,4 7.258,5 106.054,6 8.903,7 0.167,8 3.988,9 4.109,10 3.692,11 3.46,12 5.135,13 3.464,14 4.554,15 4.742,16 4.116,17 3.855,18 5.711,19 3.837,20 4.805,21 5.014,22 4.388,23 4,24 6.058,25 3.982,26 4.821,27 5.016,28 4.259,29 3.977,30 6.183,31 3.967,32 4.818,33 5.028,34 4.095,35 3.985,36 5.962,37 3.951,38 4.869,39 5.067,40 4.14,41 4.013,42 6.069,43 3.977,44 4.913,45 5.134,46 4.132,47 3.999,48 6.125,49 3.944,50 4.8,51 5.008,52 4.085,53 3.941,54 6.12,55 3.859,56 0.166,57 0.737,58 7.46,59 3.805,60 12.785,61 4.861,62 0.55,63 1.121,64 18.525,65 6.47,66 34.521,67 8.889,68 0.915,69 1.27,70 34.449,71 8.39,72 82.963,73 11.262,74 0.976,75 1.311,76 28.196,77 7.99,78 114.056,79 10.798,80 0.833,81 1.338,82 27.597,83 7.882,84 77.012,85 10.768,86 0.904,87 1.359,88 28.859,89 8.25,90 89.012,91 10.848,92 1.132,93 1.277,94 32.976,95 8.876,96 122.648,97 11.699,98 0.897,99 1.079,100 31.322,101 9.451,102 113.398,103 12.207,104 59,105 43,106 0.32,107 0.618,108 0.788,109 0.857,110 0.879,111 0.879,112 3.375,113 0.977,114 -4.17,115 -4.12,116 -3.89,120 35.4,121 2,122 3,126 3,139 2,148 1,153 1,155 1,159 2,160 1,162 1,167 1,174 3,176 4,177 2,180 3,185 1,188 5,189 5,192 1,197 1,200 6,201 7,204 1,206 1,213 4,214 7,219 2,226 2,227 10,230 1,232 2,239 3,240 8,243 1,247 1,251 2,252 6,255 1,260 3,263 1,264 5,269 1,271 4,274 1210,275 18.637,276 18.637,277 18.637,278 18.637,279 18.637,280 17.206,281 24.469,282 10.93,283 19.18,284 14.666,285 14.666,286 14.666,287 14.666,288 14.666,289 12.204,290 32.669,291 4.998,292 15.697,293 3.712,294 1.97,295 0.98,296 0.573,297 0.448,298 0.448,299 4.05,303 2,306 1,307 1,308 572,309 3.391,312 58.497,313 164.45,316 114.402,320 1.388,321 44.375,324 1,325 0.83,326 1,327 1,328 1,329 1,330 1,331 0.98,332 62.667,333 276,334 4.67,335 3.87,336 7.048,337 4.299,338 3.355,339 4.355,340 1.713,341 12.127,342 3.165,343 4.386,344 3.81,345 6.517,346 3.982,347 3.052,348 3.817,349 1.081,350 9.966,351 2.817,352 3.949,353 3.425,354 6.237,355 3.639,356 2.707,357 3.205,358 1.001,359 9.154,360 2.514,361 3.603,362 3.114,363 5.685,364 3.275,365 2.326,366 2.791,367 0.514,368 7.393,369 2.208,370 3.458,371 2.965,372 5.446,373 3.07,374 2.149,375 2.588,376 0.473,377 6.588,378 1.882,379 3.212,380 2.567,381 5.155,382 2.816,383 1.851,384 2.365,386 5.798,387 1.744,388 3.075,389 2.338,390 4.604,391 2.614,392 1.669,393 2.111,395 4.466,396 1.553,397 2.76,398 1.973,399 4.404,400 2.538,401 1.561,402 1.783,404 4.008,405 1.513,406 2.593,407 1.724,408 3.818,409 2.398,410 1.435,411 1.57,413 3.028,414 1.362,415 2.124,416 1.687,417 3.398,418 1.879,419 0.901,420 1.045,422 1.715,423 0.874,424 1.955,425 1.26,426 3.208,427 1.695,428 0.712,429 0.81,431 1.476,432 0.694,433 1.876,434 1.139,435 3.102,436 1.323,437 0.372,438 0.499,440 0.901,441 0.328,442 1.525,443 0.943,444 2.785,445 1.002,446 0.268,447 0.314,449 0.585,450 0.153,451 1.075,452 0.798,453 2.694,454 0.923,455 -0.077,456 -0.085,458 -0.132,459 -0.076,460 1,461 0.292,462 2.527,463 0.738,464 -0.189,465 -0.209,467 -0.386,468 -0.173,469 13.329,470 0.476,471 0.789,472 0.028,473 31.5,474 1.125,475 12,476 0.429,477 19.5,478 0.696,479 28.607,480 1.022,481 31.671,482 0.66,483 25.764,484 0.92,485 5.925,486 0.212,487 7.459,488 0.266,489 0.257,491 0.39,496 0.658,497 1.717,498 0.551,499 1.107,500 0.514,501 0.982,502 0.577,503 1.233,504 0.57,505 0.844,506 0.501,507 0.831,508 0.753,509 0.972,510 0.618,511 0.805,512 0.765,513 0.738,514 0.819,515 1.14,516 0.677,517 0.96,518 0.863,519 0.928,520 0.995,521 1.113,522 0.778,523 0.886,524 0.931,525 0.951,526 1.152,527 1.145,528 0.883,529 1.04,530 1.168,531 1.103,532 1.226,533 0.821,534 0.794,535 0.74,536 1.381,537 0.892,538 1.013,539 0.971,540 0.912,541 1.01,542 1.086,543 1.044,544 5.5,545 0.119,546 4,547 2.979,548 2.375,549 1.279,550 0.892,551 0.705,552 0.439,553 0.278,554 8057,555 29260,556 1.972,557 41.7,558 8,559 6,561 1,562 1,564 4,567 1.718,568 1.787,569 3.245,570 -0.182,571 1,572 1,575 89.888,576 1.873,577 3.615,578 4.605,579 5.012,580 5.137,581 5.137,582 2.708,583 4.522,584 4.776,585 3.39,586 1281.29,587 8.352,588 16394.4,590 1,592 1,593 268.078,594 1.56,595 4.702,596 0.183,597 0.008,598 0.093,599 0.061,600 0.051,601 0.03,602 0.021,603 0.018,604 0.013,605 0.012,606 0.489,607 0.33,608 1,609 1.387,610 137.793,611 -0.038,612 -0.381,613 0.019,614 -0.143,615 -0.013,616 -0.063,617 0.165,618 -0.06,619 0.135,620 0.072,621 0.091,622 0.096,623 0.172,624 0.072,625 0.28,626 0.132,627 0.09,628 0.21,629 0.153,630 -0.066,631 0.069,632 -0.066,633 0.15,634 -0.017,635 -0.116,636 -0.024,637 -0.079,638 -0.008,639 -0.082,640 -0.038,641 -0.185,642 -0.062,643 -0.156,644 -0.155,645 -0.158,646 -0.203,647 -0.154,648 0.158,649 -0.019,650 0.149,651 -0.177,652 0.032,653 0.002,654 -0.031,655 0.01,656 -0.018,657 0.059,658 -0.047,659 2.221,660 5.5,661 0.536,662 24.801,663 1.027,664 1.142,665 2.943,666 8.66,667 0.671,668 3.434,669 3.784,670 4.111,671 4.407,672 4.654,673 4.812,674 4.92,675 5.069,676 5.106,677 5.112,678 5.87,679 0.649,680 427.33,681 3.434,682 4.99,683 5.866,684 6.772,685 7.676,686 8.592,687 9.506,688 10.429,689 11.347,690 12.273,691 12.5,698 3,699 1,700 1,701 1,710 1,714 3,715 1,716 5,738 48,739 10,741 30,743 50,744 17,745 3,748 5,749 2,752 3,753 4,754 2,755 1,757 1,759 2,766 3,768 9,769 8,771 2,772 5,778 3,780 1,781 1,782 5,786 1,789 20,790 8,791 1,792 11,793 2,794 1,797 6,800 1,803 0.667,804 3,822 1,823 2,826 1,845 2,855 2,859 2,860 2,862 28,869 6,871 1,875 2,885 2,886 6.3,889 3,893 15.667,894 9.369,895 6.333,896 3.286,898 1.836,899 1.247,900 0.952,901 6.554,902 9.283,903 3.651,904 4.193,905 4.748,906 5.278,907 5.657,908 5.999,909 6.241,910 6.554,911 6.791,912 6.961,913 0.857,914 49,915 10.436,917 4.533,918 8.073,919 19.246,921 15.539,924 2.573,925 72.056,928 1,929 223.651,930 68.717,931 59.484,932 78.297,933 75.435,936 68.717,937 377.383,938 59.484,939 17.65,940 38.058,942 131.777,943 18.562,944 9.36,945 211.88,946 78.297,947 223.651,948 128.202,949 75.435,950 78.297,952 176.567,953 122.519,956 76.598,957 18.77,958 111.131,960 223.651,961 134.919,962 147.015,965 223.651,966 42.02,967 34.723,968 18.011,969 187.181,970 223.651,971 134.919,972 147.015,973 0.58,974 0.357,975 0.198,976 0.115,977 20,978 11,979 0.14,980 7,981 1,982 1.133,983 3.69,984 249.396,985 0.133,986 15,987 134.606,993 20.993,994 8.741,995 4.038,997 133.02,999 4.524,1003 1.047,1004 1.715,1005 18.011,1006 505.585,1007 37.5,1013 37.123,1015 1.28,1016 3.997,1017 -1.623,1020 49.309,1021 54.828,1022 0.335,1023 0.647,1024 0.825,1025 0.897,1026 0.92,1027 0.92,1028 4.929,1029 1.561,1030 5.883,1031 4.466,1032 4.466,1033 4.879,1034 2.411,1035 6.77,1036 4.332,1037 6.142,1038 1.435,1039 7.497,1040 4.008,1041 4.205,1042 4.844,1043 1.305,1044 7.823,1045 3.976,1046 7.473,1047 0.901,1048 9.214,1049 3.028,1050 6.129,1051 7.025,1052 2.868,1053 10.98,1054 5.863,1055 8.84,1056 0.712,1057 10.988,1058 1.715,1059 6.686,1060 7.826,1061 2.473,1062 12.849,1063 6.329,1064 10.243,1065 0.372,1066 12.798,1067 1.476,1068 8.115,1069 9.522,1070 3.601,1071 15.546,1072 7.716,1073 11.67,1074 0.268,1075 14.633,1076 0.901,1077 9.029,1078 10.689,1079 3.63,1080 17.759,1081 8.554,1082 13.116,1083 -0.077,1084 16.485,1085 0.585,1086 10.288,1087 12.22,1088 4.496,1089 20.304,1090 9.762,1091 3.355,1092 -0.189,1093 18.351,1094 -0.132,1095 11.357,1096 13.548,1097 4.762,1098 22.667,1099 10.764,1100 3.052,1101 12.127,1102 20.228,1103 -0.386,1104 12.559,1105 15.023,1106 5.481,1107 25.163,1108 11.911,1109 2.707,1110 9.966,1111 22.114,1112 4.355,1113 13.693,1114 16.421,1115 5.873,1116 27.593,1117 12.985,1118 2.326,1119 9.154,1120 24.007,1121 3.817,1122 14.88,1123 17.879,1124 6.511,1125 30.076,1126 14.115,1127 2.149,1128 7.393,1129 25.908,1130 3.205,1131 16.045,1132 19.309,1133 6.97,1134 32.537,1135 15.221,1136 1.851,1137 6.588,1138 27.813,1139 2.791,1140 17.23,1141 20.764,1142 7.565,1143 35.02,1144 16.349,1145 1.669,1146 5.798,1147 29.724,1148 2.588,1149 18.409,1150 22.209,1151 8.059,1152 37.496,1153 17.471,1154 8153,1155 15792,1156 19.016,1157 32.205,1158 45.875,1159 49.133,1160 48.443,1161 44.707,1162 44.718,1163 54.506,1164 9.564,1165 134.408,1166 41.611,1167 5.623,1168 5.761,1169 6.907,1170 5.373,1171 5.355,1172 7.066,1173 3.02,1174 19.706,1175 5.101,1176 18.032,1177 1.529,1178 1.638,1179 1.615,1180 1.49,1181 1.491,1182 1.817,1183 0.319,1184 4.48,1185 1.387,1186 4.064,1187 4.115,1188 4.109,1189 3.863,1190 7.448,1191 3.9,1192 3.814,1193 3.843,1194 4.01,1195 3.669,1196 7.428,1197 3.683,1198 3.682,1199 3.752,1200 3.564,1201 3.525,1202 7.411,1203 3.513,1204 3.55,1205 3.621,1206 3.41,1207 3.372,1208 5.008,1209 3.362,1210 3.402,1211 3.461,1212 3.374,1213 3.179,1214 4.842,1215 3.201,1216 3.182,1217 3.257,1218 3.331,1219 2.948,1220 4.493,1221 2.953,1222 3.059,1223 3.118,1224 3.184,1225 2.807,1226 4.37,1227 2.838,1228 2.944,1229 2.966,1230 3.052,1231 2.702,1232 4.172,1233 2.733,1234 0.156,1235 0.129,1236 0.235,1237 0.143,1238 0.112,1239 4.67,1240 0.145,1241 3.87,1242 0.057,1243 7.048,1244 0.404,1245 4.299,1246 0.105,1247 3.355,1248 4.355,1249 1.713,1250 12.127,1251 3.165,1252 1.786,1253 1.737,1254 1.978,1255 2.005,1256 1.269,1257 1.984,1258 1.737,1259 1.697,1260 1.947,1261 1.949,1262 1.213,1263 1.936,1264 1.667,1265 1.611,1266 1.758,1267 1.855,1268 0.935,1269 1.854,1270 1.54,1271 1.484,1272 1.701,1273 1.764,1274 0.838,1275 1.763,1276 1.381,1277 1.318,1278 1.545,1279 1.582,1280 0.692,1281 1.587,1282 1.154,1283 1.071,1284 1.461,1285 1.407,1286 0.607,1287 1.436,1288 0.98,1289 0.91,1290 1.309,1291 1.283,1292 0.445,1293 1.287,1294 0.82,1295 0.791,1296 1.049,1297 1.102,1298 0.205,1299 1.068,1300 4.111,1302 5.451,1303 2.398,1304 6.997,1305 4.844,1306 8.648,1307 7.066,1308 10.356,1310 3.97,1311 11.754,1315 3.317,1317 2.363,1321 2.588,1326 31.142,1327 89.888,1328 173.51,1329 221.059,1330 240.568,1331 246.568,1332 246.568,1333 77.262,1334 7.447,1335 107.57,1336 107.57,1337 17,1338 12.779,1339 3.459,1340 3.087,1341 49.266,1342 97,1343 110,1344 0.253,1345 200.589,1346 358.99,1347 481.196,1348 15274,1349 4.2,1350 20.422,1351 0.729,1352 0.609,1353 21.422,1354 17.049,1355 13.383,1356 0.446,1357 0.326,1358 8.914,1359 12.184,1360 8.661,1361 7.204,1362 13.961,1363 9.775,1364 11.955,1365 0.278,1366 0.167,1367 12.659,1368 7.171,1369 10.432,1370 0.174,1371 0.085,1372 11.47,1373 5.129,1374 8.6,1375 0.106,1376 0.041,1377 9.055,1378 3.289,1379 6.863,1380 0.066,1381 0.022,1382 7.184,1383 2.284,1384 0.384,1385 91.304,1386 0.229,1387 26.09,1388 0.739,1389 146,1390 522.172,1391 197.697,1392 552.172,1393 722.71,1394 510,1395 176,1396 485.561,1397 229.305,1398 500.178,1399 746.52,1400 470,1401 5.539}
{0 CHEMBL1531308,1 1.302,2 7.267,3 3.22,4 10.367,5 57.588,6 8.531,7 0.688,8 3.239,9 3.306,10 2.927,11 2.913,12 4.531,13 2.904,14 3.638,15 3.729,16 3.179,17 3.185,18 4.953,19 3.166,20 3.751,21 3.918,22 3.019,23 3.103,24 5.088,25 3.041,26 3.475,27 3.64,28 2.802,29 2.85,30 4.839,31 2.807,32 3.21,33 3.337,34 2.632,35 2.642,36 4.613,37 2.622,38 3.15,39 3.236,40 2.655,41 2.581,42 4.58,43 2.591,44 3.237,45 3.344,46 2.58,47 2.601,48 4.54,49 2.585,50 3.223,51 3.408,52 2.172,53 2.502,54 4.244,55 2.383,56 0.013,57 0.223,58 3.083,59 1.871,60 3.14,61 2.054,62 0.044,63 0.349,64 5.27,65 2.914,66 8.428,67 3.113,68 0.189,69 0.435,70 8.15,71 3.688,72 23.563,73 4.377,74 0.061,75 0.326,76 6.003,77 2.779,78 15.973,79 3.291,80 0.064,81 0.238,82 4.226,83 1.981,84 16.167,85 2.078,86 0.058,87 0.213,88 3.538,89 1.732,90 13.269,91 1.585,92 0.098,93 0.241,94 4.318,95 1.953,96 14.47,97 1.716,98 0.082,99 0.259,100 4.911,101 2.194,102 10.514,103 2.481,104 2,105 20,106 0.259,107 0.505,108 0.672,109 0.808,110 0.831,111 0.831,112 2.792,113 0.846,114 -3.28,115 -3.26,116 -3.13,120 56.5,142 2,143 7,144 1,152 1,153 1,158 1,174 9,177 3,185 9,188 1,189 3,197 8,201 3,209 5,214 3,222 3,227 4,235 3,240 3,247 4,252 1,260 3,271 1,274 211,275 10.328,276 10.328,277 10.328,278 10.328,279 10.328,280 8.68,281 4.633,282 6.457,283 10.298,284 7.911,285 7.911,286 7.911,287 7.911,288 7.911,289 5.459,290 2.735,291 3.089,292 7.846,293 3.222,294 1.985,295 1.148,296 0.468,297 0.348,298 0.348,299 3.443,306 1,307 1,308 230,309 2.449,312 43.728,313 51.749,320 1.084,321 12.27,324 1,325 0.83,326 0.83,327 0.4,329 1,330 1,331 0.72,332 32,333 109,334 4.299,335 3.709,336 6.024,337 3.826,338 2.804,339 3.81,340 1.661,341 8.559,342 2.862,343 3.991,344 2.88,345 5.338,346 3.501,347 2.5,348 3.534,350 6.956,351 2.501,352 3.511,353 2.214,354 4.306,355 2.817,356 1.794,357 2.72,359 4.231,360 1.83,361 3.027,362 1.666,363 3.624,364 2.479,365 1.474,366 2.136,368 3.11,369 1.48,370 2.702,371 1.152,372 3.273,373 2,374 1,375 1.5,377 2.136,378 1,379 2.5,380 1.01,381 3.247,382 1.91,383 0.907,384 1.42,386 2.083,387 0.91,388 2.218,389 1,390 3,391 1.618,392 0.618,393 0.927,395 1.372,396 0.618,397 2.118,398 0.618,399 2.773,400 1.409,401 0.364,402 0.662,404 0.816,405 0.378,406 0.842,407 0.228,408 2.074,409 0.421,410 -0.603,411 -0.831,413 -1.328,414 -0.614,415 0.5,416 -0.765,417 1.555,419 -1,420 -1.5,422 -2.347,423 -1,424 0.362,425 -1,426 1.439,427 -0.117,428 -1.184,429 -1.671,431 -2.726,432 -1.263,433 0.025,434 -1.139,435 1.083,436 -0.299,437 -1.299,438 -1.769,440 -3.129,441 -1.299,442 -0.118,443 -1.415,444 1,445 -0.618,446 -1.618,447 -2.427,449 -4.372,450 -1.618,451 -0.316,452 -1.618,453 0.665,454 -0.772,455 -1.783,456 -2.615,458 -4.611,459 -1.809,460 -0.5,461 -1.842,462 0.402,463 -0.976,464 -1.976,465 -2.896,467 -4.789,468 -1.977,469 7.167,470 0.478,471 0.226,472 0.015,473 22.25,474 1.483,475 13.5,476 0.9,477 8.75,478 0.583,479 6.661,480 0.444,481 14.433,482 0.628,483 12.984,484 0.866,485 4.777,486 0.318,487 2.583,488 0.172,489 0.047,491 0.209,496 0.666,497 0.893,498 0.645,499 0.875,500 0.558,501 0.782,502 0.937,503 1.082,504 0.898,505 1.067,506 0.673,507 0.995,508 0.757,509 0.949,510 0.95,511 0.96,512 0.671,513 0.986,514 0.914,515 1.005,516 0.856,517 0.992,518 1.319,519 0.93,520 1.288,521 0.932,522 0.971,523 0.916,524 1.875,525 0.889,526 1.644,527 1.115,528 1.075,529 1.078,530 1.98,531 0.989,532 1.887,533 1.016,534 1.349,535 1.007,536 1.599,537 1.058,538 1.141,539 1.133,540 1.438,541 1.171,542 0.805,543 1.321,544 2,546 1.333,547 0.34,548 0.401,549 0.281,550 0.109,551 0.05,552 0.029,553 0.007,554 1811,555 5504,556 2.071,557 34.8,559 7,560 1,567 1.523,568 2,569 2.923,570 -0.846,574 1,575 29.936,576 1.302,577 2.539,578 3.375,579 4.056,580 4.176,581 4.176,582 2.257,583 3.24,584 3.884,585 3.006,586 315.615,587 6.472,588 2673,590 1,593 104.042,594 1.053,595 3.867,596 0.125,598 0.067,599 0.021,600 0.031,601 0.026,602 0.01,603 0.005,604 0.005,605 0.003,606 0.292,607 1,608 1,609 0.521,610 59.889,611 -0.01,612 -0.042,613 0.035,614 -0.034,615 -0.056,617 -0.067,618 -0.199,619 -0.121,620 -0.197,621 -0.011,622 -0.176,623 0.206,624 0.023,625 0.048,626 0.015,627 0.218,628 0.004,629 -0.008,630 -0.042,631 0.129,632 -0.023,633 -0.042,634 0.058,635 -0.152,636 0.015,637 -0.047,638 0.017,639 -0.281,640 0.009,641 -0.219,642 -0.191,643 -0.202,644 -0.191,645 -0.274,646 -0.193,647 -0.364,648 -0.06,649 -0.412,650 -0.087,651 -0.301,652 -0.222,653 -0.2,654 -0.15,655 -0.411,656 -0.18,657 -0.167,658 -0.303,659 1.969,660 4.412,661 0.733,662 8.071,663 1.008,664 1.09,665 2.046,666 4.187,667 0.737,668 2.833,669 3.045,670 3.219,671 3.332,672 3.296,673 3.135,674 3.045,675 3.045,676 3.045,677 2.833,678 4.53,679 0.719,680 196.21,681 2.833,682 4.29,683 5.081,684 5.889,685 6.693,686 7.504,687 8.312,688 9.124,689 9.934,690 10.746,709 8,712 1,714 2,716 11,721 1,738 23,739 13,740 1,741 16,743 24,744 13,745 10,746 1,747 5,748 1,752 2,753 2,767 2,768 11,772 1,778 1,782 1,786 1,788 1,789 8,790 2,792 2,803 1,804 2,822 1,823 1,830 2,855 2,862 15,877 1,884 2,886 8.7,889 1,891 1,893 7.5,894 4.25,895 3.444,896 1.306,898 2.77,899 1.501,900 0.976,901 2.779,902 8.295,903 3.239,904 3.755,905 4.345,906 4.822,907 5.138,908 5.29,909 5.596,910 5.859,911 6.219,912 6.306,913 0.8,914 16,915 5.476,916 -0.001,917 2.225,918 7.933,919 10.158,921 7.708,924 2.433,925 36.5,926 0.002,929 94.169,930 125.902,933 34.652,936 125.902,937 128.821,941 78.073,942 30.278,943 12.693,944 51.281,945 82.398,947 94.169,948 125.902,949 34.652,952 94.169,953 34.652,957 91.841,958 34.061,960 94.169,961 34.652,962 125.902,965 94.169,966 13.768,967 78.073,968 34.061,969 34.652,970 94.169,971 34.652,972 125.902,973 0.556,974 0.315,975 0.159,976 0.07,977 9,978 3,979 0.042,980 1,982 1,983 2.897,984 89.224,986 11,987 54.603,993 9.451,994 4.41,995 2.43,997 34.652,998 14.073,1001 4.932,1003 1.093,1006 254.723,1007 24.5,1013 11.412,1017 -0.302,1020 23.189,1021 25.08,1022 0.288,1023 0.561,1024 0.746,1025 0.897,1026 0.923,1027 0.923,1028 4.404,1029 0.364,1030 4.99,1031 1.372,1032 3.714,1033 4.437,1034 1.875,1035 5.652,1036 3.733,1037 5.603,1038 -0.603,1039 6.454,1040 0.816,1041 2.944,1042 3.689,1044 6.26,1045 3.006,1046 6.877,1047 -1,1048 8.021,1049 -1.328,1050 5.153,1051 6.564,1052 2.787,1053 9.302,1054 5.196,1055 8.191,1056 -1.184,1057 9.653,1058 -2.347,1059 5.303,1060 6.769,1062 10.814,1063 5.393,1064 9.535,1065 -1.299,1066 11.329,1067 -2.726,1068 6.866,1069 8.914,1070 3.762,1071 13.285,1072 6.94,1073 10.902,1074 -1.618,1075 13.036,1076 -3.129,1077 7.444,1078 9.584,1080 15.144,1081 7.562,1082 12.285,1083 -1.783,1084 14.762,1085 -4.372,1086 8.721,1087 11.377,1088 4.763,1089 17.416,1090 8.833,1091 2.804,1092 -1.976,1093 16.503,1094 -4.611,1095 9.512,1096 12.307,1098 19.424,1099 9.663,1100 2.5,1101 8.559,1102 18.254,1103 -4.789,1104 10.655,1105 13.907,1106 5.772,1107 21.618,1108 10.809,1109 1.794,1110 6.956,1111 20.012,1112 3.81,1113 11.554,1114 14.991,1116 23.694,1117 11.742,1118 1.474,1119 4.231,1120 21.777,1121 3.534,1122 12.632,1123 16.479,1124 6.786,1125 25.858,1126 12.83,1127 1,1128 3.11,1129 23.546,1130 2.72,1131 13.588,1132 17.656,1134 27.967,1135 13.816,1136 0.907,1137 2.136,1138 25.318,1139 2.136,1140 14.635,1141 19.078,1142 7.8,1143 30.118,1144 14.878,1145 0.618,1146 2.083,1147 27.093,1148 1.5,1149 15.621,1150 20.312,1152 32.244,1153 15.892,1154 1811,1155 3251,1156 10.92,1157 16.955,1158 24.233,1159 23.799,1160 23.168,1161 22.921,1162 22.925,1163 33.416,1164 3.323,1165 58.526,1166 23.159,1167 4.96,1168 5.709,1169 5.826,1170 4.826,1171 4.804,1172 6.81,1173 3.323,1174 14.519,1175 4.862,1176 4.194,1177 1.515,1178 1.487,1179 1.448,1180 1.433,1181 1.433,1182 2.089,1183 0.208,1184 3.658,1185 1.447,1186 3.952,1187 3.963,1188 3.91,1189 3.877,1190 7.43,1191 3.877,1192 3.857,1193 3.872,1194 3.795,1195 3.729,1196 5.056,1197 3.747,1198 3.358,1199 3.362,1200 3.32,1201 3.268,1202 4.851,1203 3.276,1204 2.863,1205 2.925,1206 2.788,1207 2.735,1208 4.42,1209 2.731,1210 2.854,1211 2.888,1212 2.687,1213 2.72,1214 3.674,1215 2.715,1216 2.43,1217 2.503,1218 2.259,1219 2.282,1220 3.621,1221 2.267,1222 2.355,1223 2.391,1224 2.232,1225 2.082,1226 3.429,1227 2.11,1228 2.062,1229 2.076,1230 1.948,1231 1.648,1232 3.142,1233 1.73,1234 0.269,1235 0.232,1236 0.376,1237 0.239,1238 0.175,1239 4.299,1240 0.238,1241 3.709,1242 0.104,1243 6.024,1244 0.535,1245 3.826,1246 0.179,1247 2.804,1248 3.81,1249 1.661,1250 8.559,1251 2.862,1252 1.909,1253 1.886,1254 2.02,1255 1.977,1256 1.059,1257 1.992,1258 1.574,1259 1.566,1260 1.683,1261 1.714,1262 0.722,1263 1.683,1264 1.389,1265 1.366,1266 1.512,1267 1.586,1268 0.382,1269 1.576,1270 1.093,1271 1.084,1272 1.222,1273 1.246,1274 0.218,1275 1.236,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.202,1281 1.107,1282 0.666,1283 0.634,1284 0.899,1285 0.904,1287 0.896,1288 0.127,1289 0.113,1290 0.386,1291 0.429,1293 0.403,1296 0.381,1297 0.133,1299 0.23,1300 3.497,1302 4.727,1303 2.398,1304 6.142,1305 4.443,1306 7.633,1307 6.293,1308 9.16,1325 5.292,1326 16.537,1327 29.936,1328 58.39,1329 77.636,1330 93.287,1331 96.042,1332 96.042,1333 17.366,1334 5.525,1335 30.21,1336 30.21,1337 11,1338 11.333,1339 3.807,1340 3.248,1341 23.781,1342 41,1343 31,1344 0.29,1345 105.257,1346 183.4,1347 248.588,1348 1418,1350 10.51,1351 0.701,1352 0.529,1353 10.51,1354 7.935,1355 7.36,1356 0.46,1357 0.282,1358 4.466,1359 7.161,1360 4.37,1361 3.665,1362 7.36,1363 4.51,1364 6.103,1365 0.305,1366 0.146,1367 6.103,1368 2.922,1369 4.96,1370 0.207,1371 0.077,1372 4.96,1373 1.839,1374 3.737,1375 0.138,1376 0.041,1377 3.737,1378 1.12,1379 2.431,1380 0.093,1381 0.022,1382 2.431,1383 0.584,1384 0.453,1385 45.647,1386 0.303,1387 15.583,1388 0.789,1389 72,1390 247.471,1391 77.647,1392 240.181,1393 322.3,1394 224,1395 80,1396 230,1397 85.758,1398 234.144,1399 334.31,1400 220,1401 5.183}
{0 CHEMBL1531439,1 1.479,2 10.194,3 3.874,4 15.01,5 119.271,6 7.199,7 0.429,8 4.162,9 4.278,10 3.712,11 3.712,12 5.196,13 3.688,14 4.74,15 4.916,16 4.112,17 4.142,18 5.736,19 4.098,20 5.019,21 5.226,22 4.196,23 4.299,24 5.995,25 4.228,26 5.09,27 5.304,28 4.224,29 4.319,30 6.132,31 4.247,32 5.059,33 5.263,34 4.23,35 4.277,36 6.203,37 4.221,38 5.074,39 5.274,40 4.214,41 4.264,42 6.296,43 4.21,44 5.068,45 5.279,46 4.051,47 4.25,48 6.117,49 4.163,50 5.062,51 5.294,52 3.957,53 4.254,54 5.978,55 4.128,56 0.017,57 0.838,58 12.341,59 5.468,60 6.688,61 7.231,62 0.22,63 1.419,64 24.061,65 9.333,66 22.137,67 12.844,68 0.422,69 1.755,70 33.748,71 12.47,72 40.954,73 17.068,74 0.369,75 1.876,76 36.463,77 13.042,78 46.791,79 18.025,80 0.504,81 1.794,82 35.559,83 12.305,84 68.178,85 16.742,86 0.537,87 1.809,88 36.286,89 12,90 99.794,91 16.243,92 0.575,93 1.77,94 36.616,95 12.166,96 79.927,97 16.343,98 0.416,99 1.735,100 36.21,101 13.526,102 61.177,103 18.575,104 17,105 51,106 0.239,107 0.576,108 0.744,109 0.828,110 0.854,111 0.854,112 3.473,113 0.943,114 -3.78,115 -3.75,116 -3.56,120 43.1,121 1,122 5,125 1,126 1,128 1,137 1,138 1,143 6,144 2,153 4,159 2,174 11,176 1,177 10,180 1,182 1,185 11,188 2,189 8,192 1,194 2,197 8,200 1,201 8,204 1,206 2,209 5,213 2,214 11,217 1,219 2,222 6,226 1,227 13,230 1,232 4,235 7,239 1,240 7,245 3,247 10,251 1,252 4,257 1,260 12,263 1,264 7,271 12,274 1675,275 21.121,276 21.121,277 21.121,278 21.121,279 21.121,280 18.916,281 23.05,282 12.315,283 21.32,284 17.267,285 17.267,286 17.267,287 17.267,288 17.267,289 13.75,290 29.446,291 5.855,292 17.566,293 4.379,294 2.301,295 1.259,296 0.742,297 0.578,298 0.578,299 4.179,306 1,307 1,308 700,309 3.24,312 124.973,313 212.636,316 194.982,320 1.361,321 31.027,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66.5,333 316,334 4.856,335 3.836,336 7.276,337 4.452,338 3.475,339 4.782,340 1.2,341 12.969,342 3.396,343 4.192,344 3.544,345 6.485,346 3.871,347 2.913,348 3.712,349 1.081,350 10.037,351 2.79,352 4.088,353 3.18,354 6.255,355 3.735,356 2.741,357 3.637,358 0.473,359 9.138,360 2.718,361 3.977,362 2.879,363 5.829,364 3.642,365 2.644,366 3.288,367 0.293,368 7.704,369 2.635,370 3.583,371 2.711,372 5.555,373 3.322,374 2.325,375 2.779,377 7.572,378 2.312,379 3.366,380 2.29,381 5.373,382 2.968,383 1.995,384 2.658,386 6.167,387 1.935,388 3.148,389 2.196,390 4.885,391 2.824,392 1.841,393 2.323,395 5.027,396 1.803,397 3.096,398 2.05,399 4.655,400 2.792,401 1.8,402 2.228,404 5.004,405 1.781,406 2.861,407 1.821,408 4.32,409 2.475,410 1.474,411 1.879,413 3.757,414 1.468,415 2.733,416 1.4,417 3.778,418 2.252,419 1.259,420 1.758,422 2.995,423 1.246,424 2.417,425 1.311,426 3.611,427 2.171,428 1.179,429 1.369,431 2.782,432 1.166,433 2.24,434 1.151,435 3.569,436 2,437 1,438 1.135,440 2.136,441 1,442 2.219,443 1.021,444 3.299,445 1.833,446 0.855,447 1.087,449 2.135,450 0.834,451 2,452 1,453 3.252,454 1.759,455 0.759,456 1,458 1.779,459 0.758,460 1.716,461 0.802,462 3.247,463 1.432,464 0.449,465 0.539,467 1.101,468 0.438,469 14.7,470 0.474,471 0.802,472 0.026,473 37,474 1.194,475 16.5,476 0.532,477 20.5,478 0.661,479 30.564,480 0.986,481 33.3,482 0.574,483 29.8,484 0.961,485 7.008,486 0.226,487 8.033,488 0.259,489 0.113,491 0.395,496 0.722,497 1.341,498 0.79,499 1.107,500 0.527,501 0.978,502 0.744,503 1.118,504 0.822,505 0.982,506 0.497,507 0.914,508 1.005,509 1.007,510 0.922,511 0.936,512 0.798,513 0.922,514 1.054,515 1.122,516 0.956,517 1.034,518 1.253,519 0.986,520 1.207,521 1.06,522 0.974,523 0.989,524 1.561,525 0.949,526 1.437,527 1.119,528 1.097,529 1.035,530 1.691,531 1.011,532 1.633,533 0.95,534 1.282,535 0.964,536 1.897,537 1.049,538 1.062,539 0.99,540 1.119,541 1.061,542 1.195,543 1.095,544 5,545 0.202,546 3.556,547 3.181,548 2.214,549 1.782,550 0.934,551 0.463,552 0.386,553 0.212,554 12054,555 27283,556 2.14,557 46.6,558 6,559 12,560 1,562 1,563 3,564 4,567 1.745,568 2,569 3.268,570 -0.393,572 1,575 85.775,576 1.479,577 3.557,578 4.599,579 5.116,580 5.28,581 5.28,582 2.66,583 4.672,584 4.921,585 3.448,586 1603.13,587 8.649,588 21856.2,590 1,593 339.763,594 1.418,595 4.886,596 0.143,597 0.008,598 0.07,599 0.059,600 0.041,601 0.033,602 0.018,603 0.011,604 0.01,605 0.006,606 0.397,607 0.33,608 0.88,609 0.541,610 157.196,611 -0.013,612 -0.164,613 0.07,614 -0.047,615 -0.012,616 0.011,617 0.088,618 0.003,619 0.099,620 0.023,621 0.086,622 0.058,623 0.018,624 0.028,625 0.047,626 0.053,627 0.022,628 0.05,629 -0.009,630 -0.089,631 0.022,632 -0.061,633 -0.038,634 -0.024,635 0.039,636 -0.023,637 0.025,638 -0.027,639 -0.01,640 -0.005,641 -0.05,642 -0.072,643 -0.084,644 -0.089,645 0.071,646 -0.087,647 -0.263,648 0.08,649 -0.267,650 -0.015,651 -0.261,652 -0.119,653 -0.087,654 -0.021,655 -0.142,656 -0.067,657 -0.142,658 -0.106,659 1.861,660 6.571,661 0.774,662 29.453,663 0.998,664 1.123,665 2.555,666 6.528,667 0.664,668 3.584,669 3.951,670 4.304,671 4.654,672 4.934,673 5.1,674 5.308,675 5.489,676 5.583,677 5.67,678 6.143,679 0.63,680 417.55,681 3.584,682 5.153,683 6.043,684 6.957,685 7.872,686 8.799,687 9.726,688 10.661,689 11.596,690 12.536,691 5.2,698 2,699 1,708 2,709 6,712 1,714 4,715 1,716 15,724 1,738 58,739 18,740 1,741 35,743 62,744 25,745 12,746 2,747 4,748 4,752 5,753 8,759 1,763 6,766 6,768 16,769 9,772 3,778 2,780 1,782 3,786 1,788 1,789 27,790 5,791 1,792 6,797 3,803 0.6,804 3,818 1,822 2,823 3,826 2,838 1,846 1,855 3,859 2,862 31,869 6,871 1,874 1,875 1,886 5.2,889 2,891 1,893 15.5,894 11.067,895 6.694,896 3.782,898 3.01,899 1.369,900 1.013,901 5.327,902 11.165,903 3.839,904 4.46,905 5.107,906 5.752,907 6.267,908 6.681,909 7.108,910 7.532,911 7.757,912 8.018,913 0.857,914 54,915 11.593,917 5.117,918 7.672,919 22.437,921 19.275,924 2.172,925 67.333,927 1,928 1,929 306.049,930 132.057,931 23.034,933 59.797,936 132.057,937 365.846,938 23.034,939 17.222,940 44.961,941 56.857,942 59.699,943 20.351,944 27.57,945 294.278,947 306.049,948 155.091,949 59.797,952 258.964,953 106.882,956 46.638,957 108.453,960 306.049,961 82.831,962 132.057,965 306.049,966 48.93,967 88.15,968 18.011,969 59.797,970 306.049,971 82.831,972 132.057,973 0.589,974 0.358,975 0.207,976 0.116,977 27,978 12,979 0.065,980 4,981 2,982 1.167,983 4.09,984 306.531,985 0.167,986 24,987 149.58,993 20.289,994 8.139,995 3.56,996 1.874,997 80.932,998 11.628,1001 5.596,1003 2.837,1004 1.93,1005 18.011,1006 520.937,1007 45.5,1013 26.931,1015 1.788,1017 0.332,1020 57.891,1021 65.106,1022 0.252,1023 0.607,1024 0.785,1025 0.873,1026 0.901,1027 0.901,1028 5.11,1029 1.8,1030 6.047,1031 5.027,1032 4.635,1033 5.147,1034 1.897,1035 6.934,1036 4.6,1037 6.329,1038 1.474,1039 7.65,1040 5.004,1041 4.29,1042 5.056,1043 0.325,1044 7.984,1045 4.233,1046 7.659,1047 1.259,1048 9.358,1049 3.757,1050 6.29,1051 7.39,1052 1.997,1053 11.177,1054 6.211,1055 9.029,1056 1.179,1057 11.13,1058 2.995,1059 6.804,1060 8.194,1061 0.653,1062 13.108,1063 6.697,1064 10.438,1065 1,1066 12.944,1067 2.782,1068 8.277,1069 10.005,1070 2.187,1071 15.843,1072 8.149,1073 11.874,1074 0.855,1075 14.787,1076 2.136,1077 9.18,1078 11.223,1079 1.001,1080 18.14,1081 9.024,1082 13.333,1083 0.759,1084 16.653,1085 2.135,1086 10.468,1087 12.852,1088 2.404,1089 20.739,1090 10.289,1091 3.475,1092 0.449,1093 18.537,1094 1.779,1095 11.549,1096 14.261,1097 1.37,1098 23.189,1099 11.343,1100 2.913,1101 12.969,1102 20.434,1103 1.101,1104 12.778,1105 15.831,1106 2.638,1107 25.75,1108 12.549,1109 2.741,1110 10.037,1111 22.344,1112 4.782,1113 13.939,1114 17.323,1115 1.754,1116 28.263,1117 13.684,1118 2.644,1119 9.138,1120 24.263,1121 3.712,1122 15.158,1123 18.879,1124 2.885,1125 30.818,1126 14.879,1127 2.325,1128 7.704,1129 26.191,1130 3.637,1131 16.356,1132 20.409,1133 2.143,1134 33.357,1135 16.053,1136 1.995,1137 7.572,1138 28.127,1139 3.288,1140 17.578,1141 21.965,1142 3.146,1143 35.913,1144 17.251,1145 1.841,1146 6.167,1147 30.069,1148 2.779,1149 18.795,1150 23.512,1151 2.535,1152 38.464,1153 18.444,1154 11262,1155 17121,1156 23.581,1157 38.517,1158 54.461,1159 56,1160 55.414,1161 53.622,1162 53.539,1163 68.51,1164 6.093,1165 160.915,1166 52.684,1167 5.856,1168 5.836,1169 7.078,1170 5.499,1171 5.475,1172 7.782,1173 2.293,1174 20.763,1175 5.396,1176 14.102,1177 1.556,1178 1.6,1179 1.583,1180 1.532,1181 1.53,1182 1.957,1183 0.174,1184 4.598,1185 1.505,1186 4.187,1187 4.215,1188 4.161,1189 4.097,1190 7.432,1191 4.109,1192 3.936,1193 3.954,1194 3.88,1195 3.786,1196 7.425,1197 3.802,1198 3.871,1199 3.921,1200 3.759,1201 3.749,1202 5.048,1203 3.743,1204 3.658,1205 3.692,1206 3.58,1207 3.54,1208 4.907,1209 3.545,1210 3.468,1211 3.522,1212 3.396,1213 3.26,1214 4.393,1215 3.284,1216 3.309,1217 3.392,1218 3.176,1219 3.093,1220 4.233,1221 3.098,1222 3.143,1223 3.21,1224 2.996,1225 2.981,1226 4.111,1227 2.975,1228 3.111,1229 3.206,1230 2.866,1231 2.941,1232 3.965,1233 2.91,1234 0.139,1235 0.11,1236 0.208,1237 0.127,1238 0.099,1239 4.856,1240 0.137,1241 3.836,1242 0.034,1243 7.276,1244 0.371,1245 4.452,1246 0.097,1247 3.475,1248 4.782,1249 1.2,1250 12.969,1251 3.396,1252 1.957,1253 1.935,1254 2.1,1255 2.067,1256 1.485,1257 2.074,1258 1.894,1259 1.847,1260 2.035,1261 2.025,1262 1.181,1263 2.028,1264 1.752,1265 1.713,1266 1.861,1267 1.917,1268 1.032,1269 1.909,1270 1.591,1271 1.549,1272 1.781,1273 1.788,1274 0.929,1275 1.768,1276 1.525,1277 1.491,1278 1.726,1279 1.719,1280 0.825,1281 1.737,1282 1.35,1283 1.293,1284 1.598,1285 1.57,1286 0.824,1287 1.581,1288 1.177,1289 1.118,1290 1.513,1291 1.424,1292 0.8,1293 1.429,1294 1.153,1295 1.064,1296 1.438,1297 1.376,1298 0.635,1299 1.413,1300 4.263,1302 5.617,1303 3.045,1304 7.171,1305 5.476,1306 8.822,1307 7.644,1308 10.531,1310 3.787,1315 5.691,1317 2.987,1320 0.142,1321 1.812,1326 36.53,1327 85.775,1328 206.281,1329 266.769,1330 296.743,1331 306.253,1332 306.253,1333 57.474,1334 8.155,1335 69.17,1336 69.17,1337 28,1338 13.033,1339 4.248,1340 3.524,1341 43.236,1342 109,1343 139,1344 0.189,1345 219.637,1346 382.17,1347 527.674,1348 38242,1350 21.535,1351 0.695,1352 0.58,1353 21.535,1354 17.981,1355 15.042,1356 0.43,1357 0.314,1358 10.871,1359 14.523,1360 10.591,1361 8.765,1362 15.042,1363 11.001,1364 13.785,1365 0.27,1366 0.167,1367 13.785,1368 8.542,1369 12.237,1370 0.168,1371 0.089,1372 12.237,1373 6.513,1374 10.74,1375 0.103,1376 0.048,1377 10.74,1378 4.946,1379 8.942,1380 0.065,1381 0.026,1382 8.942,1383 3.588,1384 0.286,1385 93.835,1386 0.206,1387 28.448,1388 0.551,1389 172,1390 460.83,1391 187.519,1392 442.879,1393 617.67,1394 416,1395 210,1396 469.926,1397 226.605,1398 472.911,1399 703.53,1400 447,1401 4.286}
{0 CHEMBL1531633,1 1.676,2 10.25,3 4.138,4 17.119,5 87.698,6 10.821,7 0.727,8 3.576,9 3.676,10 3.527,11 3.303,12 4.7,13 3.231,14 4.029,15 4.155,16 3.933,17 3.656,18 5.141,19 3.553,20 4.182,21 4.366,22 3.891,23 3.672,24 5.201,25 3.517,26 4.06,27 4.278,28 3.72,29 3.473,30 5.004,31 3.312,32 3.918,33 4.135,34 3.66,35 3.391,36 4.8,37 3.185,38 3.8,39 4.009,40 3.65,41 3.296,42 4.682,43 3.068,44 3.699,45 3.912,46 3.22,47 3.13,48 4.622,49 2.975,50 3.626,51 3.831,52 3.183,53 3.051,54 4.646,55 2.933,56 0.011,57 0.439,58 2.312,59 2.496,60 4.057,61 2.984,62 0.099,63 0.745,64 8.166,65 4.722,66 9.37,67 5.283,68 0.137,69 0.826,70 22.626,71 6.739,72 16.625,73 7.291,74 0.143,75 0.752,76 13.788,77 5.546,78 15.65,79 6.218,80 0.097,81 0.626,82 13.331,83 5.45,84 11.841,85 6.212,86 0.103,87 0.57,88 27.057,89 5.868,90 11.099,91 5.632,92 0.048,93 0.503,94 10.604,95 4.257,96 8.622,97 4.933,98 0.09,99 0.467,100 16.771,101 3.762,102 10.885,103 3.875,104 2,105 29,106 0.309,107 0.645,108 0.782,109 0.848,110 0.864,111 0.864,112 3.056,113 1.084,114 -5.15,115 -5.04,116 -4.72,118 1,120 46.9,126 1,136 2,143 6,144 1,145 1,146 1,147 1,162 1,163 1,174 8,177 2,180 2,182 1,185 11,188 1,189 2,194 1,197 8,201 3,206 1,209 5,214 1,219 2,222 3,227 2,232 1,235 4,240 3,245 2,247 2,252 3,257 2,260 2,264 3,269 1,271 3,274 482,275 13.792,276 13.792,277 13.792,278 13.792,279 13.792,280 11.697,281 5.71,282 8.488,283 14.355,284 10.921,285 10.921,286 10.921,287 10.921,288 10.921,289 7.82,290 3.01,291 4.119,292 11.921,293 3.324,294 1.501,295 0.758,296 0.399,297 0.313,298 0.313,299 3.743,306 1,307 1,308 447,309 2.55,312 42.79,313 124.743,316 82.648,320 1.55,321 9.308,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 41.25,333 205,334 4.484,335 4.427,336 6.267,337 3.936,338 3.011,339 4.432,340 3.272,341 9.565,342 2.783,343 3.943,344 3.081,345 5.34,346 3.521,347 2.523,348 3.508,350 6.966,351 2.52,352 3.691,353 2.828,354 5.194,355 3.169,356 2.328,357 3.127,359 6.516,360 1.897,361 3.292,362 2.521,363 4.897,364 2.798,365 1.952,366 2.549,368 5.546,369 1.613,370 3.092,371 2.419,372 4.397,373 2.572,374 1.592,375 2.292,377 4.271,378 1.518,379 3.011,380 1.547,381 3.719,382 2.447,383 1.518,384 2.248,386 3.32,387 1.401,388 2.663,389 1.525,390 3.456,391 2.216,392 1.263,393 1.65,395 2.724,396 1.189,397 2.5,398 1.06,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 1.95,407 1,408 3.159,409 1.361,410 0.483,411 0.696,413 1.196,414 0.401,415 1.793,416 0.689,417 2.873,418 1.292,419 0.4,420 0.535,422 0.921,423 0.348,424 0.974,425 0.371,426 2.377,427 0.559,428 -0.342,429 -0.416,431 -0.845,432 -0.219,433 0.822,434 0.016,435 2.228,436 0.339,437 -0.492,438 -0.606,440 -1.173,441 -0.387,442 0.623,443 -0.191,444 2,445 0.067,446 -0.836,447 -1.164,449 -2.045,450 -0.738,451 0.5,452 -0.893,453 1.648,455 -1,456 -1.44,458 -2.347,459 -0.939,460 0.395,461 -0.937,462 1.555,463 -0.044,464 -1,465 -1.5,467 -2.678,468 -1,469 10.867,470 0.543,471 0.362,472 0.018,473 28.5,474 1.425,475 16,476 0.8,477 12.5,478 0.625,479 14.006,480 0.7,481 19.133,482 0.598,483 14.993,484 0.75,485 5.3,486 0.265,487 4.509,488 0.225,489 0.123,491 0.23,496 0.835,497 1.058,498 0.492,499 0.678,500 0.838,501 0.725,502 0.68,503 1.185,504 0.667,505 1.025,506 0.79,507 0.966,508 0.945,509 1.112,510 1.058,511 1.144,512 1.014,513 1.089,514 1.022,515 0.997,516 0.625,517 0.889,518 1.036,519 0.954,520 0.728,521 0.936,522 0.697,523 0.944,524 0.824,525 0.963,526 1.022,527 0.967,528 0.799,529 1.089,530 1.055,531 1.038,532 0.757,533 1.12,534 0.539,535 0.947,536 0.67,537 0.964,538 1.55,539 0.976,540 1.337,541 1.01,542 1.323,543 0.962,544 3.5,545 0.052,546 1.333,547 1.042,548 0.644,549 0.275,550 0.212,551 0.094,552 0.123,553 0.081,554 4589,555 13877,556 2.138,557 37.5,559 10,561 1,562 1,567 1.607,568 2.069,569 3.344,570 -0.271,572 1,575 53.622,576 1.676,577 3.499,578 4.242,579 4.601,580 4.688,581 4.688,582 2.746,583 3.922,584 4.296,585 3.476,586 660.408,587 7.284,588 7145.49,590 1,591 1,592 1,593 160,594 1.076,595 4.283,596 0.159,597 0.005,598 0.046,599 0.042,600 0.034,601 0.017,602 0.015,603 0.007,604 0.009,605 0.006,606 0.339,607 0.33,608 1,609 0.432,610 91.367,611 -0.061,612 -0.067,613 0.002,614 0.031,615 -0.102,616 0.026,617 0.233,618 -0.158,619 -0.019,620 -0.168,621 0.073,622 -0.141,623 0.064,624 -0.12,625 -0.082,626 -0.154,627 -0.002,628 -0.135,629 0.002,630 0.021,631 0.056,632 0.04,633 -0.045,634 0.017,635 0.124,636 0.03,637 0.085,638 0.106,639 0.062,640 0.08,641 -0.096,642 0.044,643 0.081,644 0.06,645 -0.108,646 0.014,647 0.05,648 -0.169,649 0.035,650 -0.021,651 0.218,652 0.035,653 -0.318,654 0.037,655 -0.17,656 -0.076,657 -0.186,658 -0.019,659 0.845,660 1.499,661 0.75,662 16.11,663 1.001,664 1.104,665 3.916,666 15.338,667 0.776,668 3.135,669 3.401,670 3.611,671 3.85,672 4.007,673 3.932,674 3.97,675 4.007,676 3.85,677 3.892,678 6.078,679 0.716,680 346.27,681 3.135,682 4.635,683 5.451,684 6.297,685 7.132,686 7.984,687 8.828,688 9.685,689 10.535,690 11.395,691 9.4,699 1,701 2,708 2,709 7,710 2,711 1,714 3,716 16,737 1,738 32,739 17,740 1,741 22,742 1,743 34,744 15,745 12,746 1,747 5,748 2,752 3,753 4,768 14,769 1,772 1,780 2,786 1,789 12,790 2,791 1,792 5,793 2,794 1,797 3,803 0.667,816 1,822 1,823 2,826 1,845 2,855 2,856 1,857 1,858 1,862 20,869 1,873 1,885 1,893 9.667,894 5.71,895 4.444,896 1.787,898 3.545,899 1.536,900 1.026,901 4.31,902 10.157,903 3.466,904 4.073,905 4.665,906 5.271,907 5.764,908 5.929,909 6.258,910 6.574,911 6.377,912 6.659,913 0.857,914 25,915 7.33,917 3.01,918 7.546,919 14.182,921 11.336,924 2.046,925 40.917,926 0.001,929 129.482,930 128.77,931 96.311,935 32.22,936 142.504,937 129.482,938 50.357,940 0.9,941 75.81,942 47.057,943 34.911,945 149.931,946 45.954,947 129.482,948 146.907,950 32.22,951 45.954,952 129.482,956 31.285,957 63.098,958 52.524,959 78.174,960 129.482,961 50.357,962 174.724,965 129.482,966 43.912,967 84.857,968 62.74,969 33.571,970 129.482,971 50.357,972 174.724,973 0.565,974 0.315,975 0.172,976 0.094,977 14,978 5,979 0.118,980 4,981 1,982 1.133,983 3.488,984 140.155,985 0.133,986 15,987 82.439,989 1,993 13.562,994 6.356,995 3.584,996 1.705,997 33.571,998 13.997,999 8.78,1000 3.207,1003 3.045,1005 16.786,1006 354.563,1007 31,1015 4.251,1020 32.029,1021 35.333,1022 0.335,1023 0.7,1024 0.848,1025 0.92,1026 0.938,1027 0.938,1028 4.644,1029 1,1030 5.389,1031 2.724,1032 4.078,1033 4.758,1034 3.11,1035 6.107,1036 3.916,1037 5.841,1038 0.483,1039 6.878,1040 2.136,1041 3.434,1042 4.407,1044 6.763,1045 3.112,1046 7.123,1047 0.4,1048 8.464,1049 1.196,1050 5.572,1051 6.985,1052 5.44,1053 9.85,1054 5.278,1055 8.444,1056 -0.342,1057 10.107,1058 0.921,1059 5.771,1060 7.531,1062 11.391,1063 5.343,1064 9.798,1065 -0.492,1066 11.79,1067 -0.845,1068 7.336,1069 9.513,1070 7.807,1071 13.95,1072 6.923,1073 11.177,1074 -0.836,1075 13.501,1076 -1.173,1077 7.967,1078 10.522,1080 15.889,1081 7.441,1082 12.576,1083 -1,1084 15.233,1085 -2.045,1086 9.269,1087 12.231,1088 10.177,1089 18.256,1090 8.733,1091 3.011,1092 -1,1093 16.982,1094 -2.347,1095 10.127,1096 13.483,1098 20.376,1099 9.488,1100 2.523,1101 9.565,1102 18.745,1103 -2.678,1104 11.307,1105 15.065,1106 12.548,1107 22.672,1108 10.635,1109 2.328,1110 6.966,1111 20.519,1112 4.432,1113 12.283,1114 16.438,1116 24.87,1117 11.513,1118 1.952,1119 6.516,1120 22.302,1121 3.508,1122 13.41,1123 17.965,1124 14.919,1125 27.141,1126 12.589,1127 1.592,1128 5.546,1129 24.093,1130 3.127,1131 14.446,1132 19.397,1134 29.372,1135 13.53,1136 1.518,1137 4.271,1138 25.892,1139 2.549,1140 15.552,1141 20.9,1142 17.29,1143 31.634,1144 14.572,1145 1.263,1146 3.32,1147 27.696,1148 2.292,1149 16.618,1150 22.361,1152 33.881,1153 15.546,1154 4363,1155 7747,1156 15.197,1157 24.824,1158 32.657,1159 34.874,1160 32.371,1161 32.353,1162 32.141,1163 45.077,1164 6.545,1165 86.325,1166 29.339,1167 5.273,1168 6.427,1169 6.069,1170 5.07,1171 5.011,1172 7.432,1173 6.545,1174 15.908,1175 4.783,1176 5.676,1177 1.484,1178 1.585,1179 1.471,1180 1.471,1181 1.461,1182 2.049,1183 0.297,1184 3.924,1185 1.334,1186 4.07,1187 4.115,1188 6.88,1189 3.947,1190 5.12,1191 3.951,1192 3.916,1193 3.946,1194 4.114,1195 3.861,1196 4.783,1197 3.854,1198 3.516,1199 3.555,1200 3.847,1201 3.493,1202 4.43,1203 3.427,1204 3.338,1205 3.386,1206 3.649,1207 3.25,1208 4.241,1209 3.225,1210 2.89,1211 2.947,1212 3.188,1213 2.853,1214 3.986,1215 2.778,1216 2.854,1217 2.925,1218 2.886,1219 2.735,1220 3.674,1221 2.715,1222 2.81,1223 2.892,1224 2.711,1225 2.577,1226 3.567,1227 2.602,1228 2.487,1229 2.552,1230 2.687,1231 2.466,1232 3.36,1233 2.389,1234 0.204,1235 0.201,1236 0.285,1237 0.179,1238 0.137,1239 4.484,1240 0.201,1241 4.427,1242 0.149,1243 6.267,1244 0.435,1245 3.936,1246 0.126,1247 3.011,1248 4.432,1249 3.272,1250 9.565,1251 2.783,1252 1.921,1253 1.894,1254 2.042,1255 1.993,1256 1.124,1257 2.013,1258 1.836,1259 1.806,1260 1.866,1261 1.968,1262 0.974,1263 1.952,1264 1.547,1265 1.512,1266 1.697,1267 1.669,1268 0.901,1269 1.704,1270 1.298,1271 1.239,1272 1.372,1273 1.532,1274 0.44,1275 1.517,1276 0.939,1277 0.906,1278 1.181,1279 1.083,1280 0.291,1281 1.119,1282 0.886,1283 0.821,1284 1.158,1285 1.062,1286 0.218,1287 1.107,1288 0.872,1289 0.811,1290 1.038,1291 1.049,1292 0.116,1293 1.072,1294 0.551,1295 0.484,1296 0.861,1297 0.762,1299 0.799,1300 3.807,1302 5.081,1303 2.398,1304 6.541,1305 4.727,1306 8.086,1307 6.823,1308 9.677,1309 3.397,1315 0.871,1319 1.662,1326 22.911,1327 53.622,1328 111.961,1329 135.735,1330 147.245,1331 150,1332 150,1333 20.305,1334 6.612,1335 41.57,1336 66.87,1337 17,1338 11.948,1339 4.17,1340 3.322,1341 30.354,1342 74,1343 62,1344 0.2,1345 152.484,1346 247.95,1347 363.821,1348 6469,1349 3.1,1350 13.786,1351 0.689,1352 0.649,1353 15.14,1354 12.986,1355 9.81,1356 0.446,1357 0.361,1358 6.255,1359 8.58,1360 5.972,1361 4.958,1362 10.841,1363 7.946,1364 8.564,1365 0.295,1366 0.211,1367 9.991,1368 6.112,1369 6.874,1370 0.191,1371 0.11,1372 7.996,1373 3.967,1374 5.69,1375 0.124,1376 0.061,1377 6.78,1378 2.794,1379 4.506,1380 0.083,1381 0.037,1382 5.701,1383 1.984,1384 0.324,1385 73.041,1386 0.257,1387 20.586,1388 0.516,1389 102,1390 279.138,1391 197.205,1392 336.89,1393 455.23,1394 316,1395 116,1396 297.326,1397 168.292,1398 329.488,1399 479.18,1400 310,1401 5.862}
{0 CHEMBL1532909,1 1.59,2 5.533,3 2.489,4 6.196,5 55.285,6 7.893,7 0.625,8 3.383,9 3.475,10 2.977,11 2.885,12 4.627,13 2.898,14 3.852,15 3.991,16 3.338,17 3.238,18 5.174,19 3.24,20 3.96,21 4.087,22 3.418,23 3.338,24 5.224,25 3.325,26 4.114,27 4.27,28 3.316,29 3.314,30 5.36,31 3.289,32 4.101,33 4.331,34 2.901,35 3.108,36 5.244,37 3.01,38 3.841,39 4.073,40 2.642,41 2.697,42 5.167,43 2.6,44 3.276,45 3.533,46 1.649,47 2.076,48 4.437,49 1.91,50 2.955,51 3.296,52 0.607,53 1.39,54 3.97,55 1.149,56 0.081,57 0.35,58 4.896,59 2.378,60 8.503,61 2.716,62 0.26,63 0.534,64 9.213,65 3.766,66 36.311,67 4.596,68 0.258,69 0.607,70 9.681,71 4.218,72 22.114,73 5.182,74 0.268,75 0.665,76 12.223,77 4.529,78 26.352,79 5.455,80 0.355,81 0.587,82 14.429,83 4.68,84 46.448,85 6.125,86 0.439,87 0.404,88 11.812,89 3.612,90 42.531,91 4.831,92 0.19,93 0.222,94 6.857,95 2.022,96 26.302,97 2.695,98 0.211,99 0.132,100 6.131,101 1.303,102 34.793,103 1.905,104 21,105 23,106 0.315,107 0.741,108 0.823,109 0.859,110 0.859,111 0.859,112 2.798,113 0.85,114 -2.71,115 -2.73,116 -2.65,120 42.3,121 1,125 1,143 3,144 2,145 1,153 2,159 1,168 1,172 1,174 5,177 1,180 1,182 2,183 1,185 4,186 1,189 3,192 2,193 1,194 4,197 3,198 2,201 4,206 3,209 2,210 1,214 2,215 1,219 1,222 1,223 2,226 1,227 2,230 1,232 2,274 177,275 9.922,276 9.922,277 9.922,278 9.922,279 9.922,280 8.576,281 9.016,282 5.649,283 10.145,284 7.784,285 7.784,286 7.784,287 7.784,288 7.784,289 5.679,290 8.444,291 2.523,292 8.06,293 3.11,294 0.962,295 0.549,296 0.366,297 0.366,298 0.366,299 3.435,306 1,307 1,308 168,309 2.55,312 26.557,313 34.656,316 51.931,320 0.898,321 17.774,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 33.5,333 83,334 4.698,335 3.64,336 6.864,337 4.24,338 3.262,339 4.663,340 1.437,341 11.378,342 3.189,343 3.976,344 3.204,345 6.094,346 3.583,347 2.611,348 3.448,349 0.86,350 8.582,351 2.528,352 3.504,353 2.663,354 5.418,355 3.087,356 2.112,357 2.836,359 6.468,360 2.043,361 2.997,362 1.795,363 4.433,364 2.476,365 1.494,366 2.216,368 3.85,369 1.463,370 2.713,371 1.588,372 4.068,373 2.283,374 1.316,375 1.738,377 3.315,378 1.262,379 2.375,380 1.256,381 3.477,382 1.886,383 0.943,384 1.299,386 2.206,387 0.877,388 1.606,389 0.878,390 2.765,391 1.289,392 0.396,393 0.462,395 0.643,396 0.349,397 0.938,398 0.435,399 2.41,400 0.58,401 -0.378,402 -0.46,404 -0.81,405 -0.355,406 0.704,407 -0.023,408 2.253,409 0.281,410 -0.688,411 -0.91,413 -1.527,414 -0.663,415 0.48,416 -0.447,417 2,418 0.004,419 -1,420 -1.295,422 -2,423 -0.952,424 0.255,425 -1.003,426 1.646,427 -0.142,428 -1.103,429 -1.595,431 -3.456,432 -1.088,433 -0.234,434 -1.203,435 1.354,436 -0.527,437 -1.499,438 -1.866,440 -4.134,441 -1.399,442 -0.354,443 -1.396,444 1.232,445 -0.745,446 -1.656,447 -2.052,449 -4.731,450 -1.58,451 -0.5,452 -1.834,453 1,454 -0.911,455 -1.889,456 -2.642,458 -6.028,459 -1.78,460 -0.559,461 -1.894,462 0.571,463 -0.987,464 -1.919,465 -2.84,466 -0.86,467 -6.327,468 -1.895,469 6.9,470 0.46,471 0.439,472 0.029,473 19.5,474 1.3,475 10,476 0.667,477 9.5,478 0.633,479 9.393,480 0.626,481 16.5,482 0.635,483 12.652,484 0.843,485 4.185,486 0.279,487 2.962,488 0.197,489 0.242,491 0.435,496 0.873,497 1.157,498 0.764,499 1.023,500 0.764,501 0.887,502 0.772,503 0.99,504 0.665,505 0.802,506 0.433,507 0.724,508 0.652,509 1.168,510 0.833,511 1.103,512 0.652,513 1.041,514 1.161,515 1.28,516 1.213,517 1.293,518 0.998,519 1.254,520 1.123,521 0.934,522 1.173,523 1.039,524 1.21,525 1.099,526 0.935,527 0.914,528 1.015,529 1.022,530 0.999,531 1.047,532 1.328,533 0.95,534 1.319,535 1.072,536 1.623,537 1.186,538 1.659,539 0.101,540 1.083,541 0.128,542 2.323,543 0.407,544 3,546 2.222,547 1.701,548 1.063,549 0.514,550 0.193,554 1317,555 4546,556 1.955,557 42.3,558 3,559 6,562 2,567 1.539,568 1.765,569 2.542,570 0.496,574 1,575 41.349,576 1.59,577 3.738,578 4.152,579 4.335,580 4.335,581 4.335,582 1.966,583 3.323,584 3.878,585 2.585,586 271.457,587 6.539,588 2197,590 1,593 122.211,594 1.566,595 3.796,596 0.188,598 0.097,599 0.071,600 0.053,601 0.043,602 0.024,606 0.475,607 0.67,608 1,609 1.157,610 56.732,611 -0.12,612 -0.014,614 0.026,615 -0.133,616 0.045,617 0.075,618 0.069,619 0.197,620 0.217,621 0.215,622 0.233,623 0.14,624 -0.069,625 -0.01,626 -0.095,627 0.036,628 -0.108,629 -0.209,630 -0.231,631 -0.32,632 -0.347,633 -0.129,634 -0.35,635 -0.165,636 -0.029,637 -0.162,638 -0.105,639 -0.152,640 -0.121,641 0.24,642 -0.111,643 0.079,644 -0.096,645 0.167,646 -0.06,647 -0.202,648 -0.174,649 -0.212,650 -0.16,651 -0.218,652 -0.189,653 -0.292,654 0.546,655 0.242,656 0.712,657 -0.421,658 0.632,659 2.62,660 3.919,661 0.6,662 7.68,663 1.019,664 1.123,665 1.484,666 2.202,667 0.661,668 2.833,669 3.178,670 3.497,671 3.761,672 3.912,673 3.951,674 3.85,675 3.611,676 3.178,677 2.708,678 3.559,679 0.646,680 205.23,681 2.833,682 4.369,683 5.242,684 6.142,685 7.04,686 7.948,687 8.852,688 9.762,689 10.669,690 11.579,691 3.8,699 1,708 2,709 3,711 1,714 3,716 10,725 1,735 1,738 26,739 11,740 1,741 16,743 27,744 11,745 8,746 3,747 3,748 1,752 2,753 3,759 1,768 9,769 2,772 1,778 1,782 1,786 1,789 11,790 3,791 2,792 4,797 1,803 0.5,804 3,818 1,822 1,823 1,826 1,853 1,855 1,859 2,862 15,868 1,872 1,886 11.5,888 1,889 1,891 1,893 8.5,894 5.283,895 3.389,896 1.376,898 2.235,899 1.381,900 0.936,901 2.404,902 8.101,903 3.135,904 3.812,905 4.498,906 5.151,907 5.668,908 6.026,909 6.284,910 6.49,911 6.263,912 5.954,913 0.75,914 24,915 5.504,916 -0.001,917 2.319,918 8.1,919 10.136,921 8.024,924 2.6,925 39,926 0.002,929 105.94,930 64.95,931 16.786,933 78.828,936 64.95,937 184.768,938 16.786,939 19.708,941 28.429,942 68.738,943 38.787,944 4.901,945 105.94,947 105.94,948 81.735,949 78.828,952 105.94,953 78.828,956 25.611,957 56.125,960 105.94,961 95.614,962 64.95,965 105.94,966 16.813,967 48.137,968 16.786,969 78.828,970 105.94,971 95.614,972 64.95,973 0.586,974 0.367,975 0.203,976 0.106,977 12,978 6,979 0.074,980 2,981 1,982 1.222,983 2.585,984 100.571,985 0.222,986 9,987 58.603,993 10.051,994 3.587,995 1.487,996 1.613,997 78.828,998 5.508,1000 2.858,1003 1.606,1005 59.469,1006 266.503,1007 22,1013 10.919,1017 -0.953,1020 26.502,1021 29.203,1022 0.338,1023 0.795,1024 0.883,1025 0.922,1026 0.922,1027 0.922,1028 4.363,1029 -0.378,1030 5.263,1031 0.643,1032 3.85,1033 4.494,1034 1.888,1035 6.146,1036 3.789,1037 5.619,1038 -0.688,1039 6.878,1040 -0.81,1041 3.611,1042 4.543,1044 7.222,1045 3.537,1046 6.969,1047 -1,1048 8.597,1049 -1.527,1050 5.509,1051 6.857,1052 2.362,1053 10.349,1054 5.402,1055 8.364,1056 -1.103,1057 10.374,1058 -2,1059 6.089,1060 7.749,1062 12.231,1063 5.961,1064 9.791,1065 -1.499,1066 12.185,1067 -3.456,1068 7.508,1069 9.572,1070 2.965,1071 14.896,1072 7.357,1073 11.244,1074 -1.656,1075 14.021,1076 -4.134,1077 8.435,1078 10.833,1080 17.096,1081 8.261,1082 12.716,1083 -1.889,1084 15.873,1085 -4.731,1086 9.687,1087 12.476,1088 3.635,1089 19.607,1090 9.493,1091 3.262,1092 -1.919,1093 17.738,1094 -6.028,1095 10.759,1096 13.897,1098 21.939,1099 10.542,1100 2.611,1101 11.378,1102 19.612,1103 -6.327,1104 11.955,1105 15.472,1106 4.335,1107 24.396,1108 11.718,1109 2.112,1110 8.582,1111 21.495,1112 4.663,1113 13.087,1114 16.961,1116 26.783,1117 12.827,1118 1.494,1119 6.468,1120 23.383,1121 3.448,1122 14.266,1123 18.512,1124 5.05,1125 29.222,1126 13.986,1127 1.316,1128 3.85,1129 25.277,1130 2.836,1131 15.425,1132 20.03,1134 31.633,1135 15.122,1136 0.943,1137 3.315,1138 27.175,1139 2.216,1140 16.601,1141 21.573,1142 5.77,1143 34.066,1144 16.277,1145 0.396,1146 2.206,1147 29.076,1148 1.738,1149 17.771,1150 23.103,1152 36.488,1153 17.424,1154 1433,1155 2721,1156 10.057,1157 17.176,1158 24.49,1159 25.259,1160 26.21,1161 24.214,1162 24.265,1163 33.321,1164 4.593,1165 72.884,1166 23.422,1167 5.299,1168 5.64,1169 6.452,1170 5.24,1171 5.262,1172 7.663,1173 2.873,1174 18.807,1175 5.189,1176 8.5,1177 1.531,1178 1.579,1179 1.638,1180 1.513,1181 1.517,1182 2.083,1183 0.287,1184 4.555,1185 1.464,1186 4.139,1187 4.164,1188 4.109,1189 4.049,1190 7.475,1191 4.06,1192 3.546,1193 3.568,1194 3.485,1195 3.399,1196 6.351,1197 3.411,1198 3.265,1199 3.319,1200 3.129,1201 3.005,1202 4.983,1203 3.023,1204 3.152,1205 3.216,1206 3.01,1207 2.875,1208 4.516,1209 2.893,1210 3.011,1211 3.062,1212 2.817,1213 2.733,1214 4.202,1215 2.757,1216 2.717,1217 2.794,1218 2.498,1219 2.568,1220 3.821,1221 2.54,1222 2.245,1223 2.322,1224 2.081,1225 1.939,1226 3.412,1227 1.974,1228 2.038,1229 2.11,1230 1.8,1231 1.603,1232 3.068,1233 1.597,1234 0.294,1235 0.227,1236 0.429,1237 0.265,1238 0.204,1239 4.698,1240 0.291,1241 3.64,1242 0.09,1243 6.864,1244 0.711,1245 4.24,1246 0.199,1247 3.262,1248 4.663,1249 1.437,1250 11.378,1251 3.189,1252 1.93,1253 1.913,1254 2.015,1255 2.02,1256 1.168,1257 2.017,1258 1.63,1259 1.6,1260 1.769,1261 1.827,1262 0.864,1263 1.804,1264 1.191,1265 1.125,1266 1.565,1267 1.517,1268 0.57,1269 1.529,1270 1.151,1271 1.08,1272 1.411,1273 1.407,1274 0.417,1275 1.426,1276 0.878,1277 0.843,1278 1.089,1279 1.234,1280 0.188,1281 1.177,1282 0.747,1283 0.677,1284 1.007,1285 0.943,1286 0.014,1287 0.979,1288 0.404,1289 0.341,1290 0.717,1291 0.722,1293 0.733,1296 0.339,1297 0.393,1299 0.344,1300 3.497,1302 4.828,1303 2.398,1304 6.372,1305 4.844,1306 8.011,1307 7.05,1308 9.699,1310 3.34,1314 8.958,1318 5.151,1326 16.8,1327 41.349,1328 97.192,1329 107.947,1330 112.702,1331 112.702,1332 112.702,1333 22.488,1334 5.866,1335 62.32,1336 62.32,1337 11,1338 12.094,1339 3.585,1340 2.807,1341 23.347,1342 33,1343 29,1344 0.401,1345 105.645,1346 176.51,1347 249.535,1348 1889,1350 11,1351 0.733,1352 0.566,1353 11,1354 8.496,1355 7.147,1356 0.447,1357 0.283,1358 4.447,1359 6.796,1360 4.277,1361 3.588,1362 7.147,1363 4.534,1364 6.43,1365 0.28,1366 0.144,1367 6.43,1368 3.313,1369 5.544,1370 0.173,1371 0.078,1372 5.544,1373 2.489,1374 4.646,1375 0.111,1376 0.041,1377 4.646,1378 1.71,1379 3.401,1380 0.069,1381 0.021,1382 3.401,1383 1.04,1384 0.574,1385 45.561,1386 0.315,1387 14.596,1388 1.278,1389 78,1390 271.954,1391 87.36,1392 256.546,1393 342.71,1394 238,1395 94,1396 245.466,1397 103.143,1398 249.247,1399 364.8,1400 232,1401 5.278}
{0 CHEMBL1533067,1 1.764,2 8.318,3 3.482,4 12.127,5 83.274,6 9.568,7 0.478,8 3.602,9 3.711,10 3.372,11 3.178,12 4.967,13 3.187,14 4.062,15 4.233,16 3.744,17 3.506,18 5.337,19 3.511,20 4.237,21 4.392,22 3.905,23 3.641,24 5.645,25 3.629,26 4.364,27 4.584,28 3.873,29 3.66,30 5.695,31 3.633,32 4.271,33 4.425,34 3.949,35 3.737,36 5.631,37 3.671,38 4.289,39 4.453,40 3.729,41 3.64,42 5.693,43 3.548,44 4.246,45 4.502,46 3.45,47 3.424,48 5.565,49 3.324,50 4.018,51 4.271,52 3.104,53 3.157,54 5.467,55 3.071,56 0.086,57 0.575,58 3.398,59 2.412,60 10.683,61 2.62,62 0.286,63 0.861,64 9.311,65 3.869,66 22.969,67 4.406,68 0.312,69 1.005,70 10.387,71 4.85,72 38.724,73 5.119,74 0.515,75 1.013,76 17.92,77 5.295,78 76.197,79 5.822,80 0.342,81 0.904,82 13.515,83 5.434,84 39.378,85 6.144,86 0.434,87 0.879,88 21.298,89 6.037,90 54.788,91 6.7,92 0.487,93 0.9,94 17.606,95 6.471,96 60.647,97 8.789,98 0.224,99 0.746,100 12.018,101 4.95,102 38.057,103 6.617,104 48,105 32,106 0.322,107 0.694,108 0.736,109 0.758,110 0.758,111 0.758,112 3.147,113 0.859,114 -3.68,115 -3.65,116 -3.47,120 45.5,125 2,136 1,137 1,143 4,145 2,147 1,154 1,159 2,163 1,174 3,176 3,177 6,185 2,189 7,197 3,200 1,201 7,209 3,213 2,214 5,222 4,226 2,227 2,235 4,239 2,247 2,252 4,264 4,274 654,275 14.516,276 14.516,277 14.516,278 14.516,279 14.516,280 12.762,281 15.8,282 8.378,283 14.949,284 11.167,285 11.167,286 11.167,287 11.167,288 11.167,289 8.311,290 14.74,291 3.779,292 12,293 3.281,294 1.246,295 1.015,296 0.894,297 0.894,298 0.894,299 3.8,304 1,305 1,306 1,307 1,308 368,309 3.464,312 65.884,313 72.84,320 1.376,321 28.604,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48.333,333 183,334 4.639,335 4.234,336 6.959,337 4.189,338 3.284,339 4.376,340 2.689,341 11.733,342 2.965,343 4.118,344 3.869,345 5.833,346 3.57,347 2.599,348 3.589,349 1.539,350 7.973,351 2.524,352 3.921,353 3.514,354 5.643,355 3.422,356 2.473,357 3.349,358 0.8,359 7.242,360 2.343,361 3.544,362 2.907,363 5.229,364 3.15,365 2.242,366 2.752,368 6.366,369 2.008,370 3.42,371 2.755,372 5.005,373 3.005,374 2.067,375 2.646,377 5.868,378 1.92,379 3.303,380 2.497,381 4.455,382 2.224,383 1.32,384 1.788,386 3.879,387 1.169,388 2.869,389 2.311,390 3.891,391 2,392 1.086,393 1.5,395 2.716,396 1,397 2.51,398 1.647,399 3.414,400 1.948,401 1,402 1.303,404 2.275,405 0.892,406 2.5,407 1.352,408 3.069,409 1.547,410 0.618,411 1.29,413 0.791,414 0.572,415 2.315,416 1,417 2.618,418 1.203,419 0.286,420 0.486,422 0.582,423 0.25,424 1.266,425 0.626,426 2.586,427 0.794,428 -0.082,429 -0.116,431 -0.151,432 -0.067,433 0.919,434 0.148,435 2.277,436 0.387,437 -0.464,438 -0.62,440 -0.996,441 -0.345,442 0.542,443 -0.119,444 2,445 0.055,446 -0.815,447 -1,449 -2,450 -0.709,451 0.5,452 -0.253,453 1.952,455 -1,456 -1.093,458 -2.007,459 -0.9,460 0.154,461 -0.6,462 1.616,463 -0.1,464 -1,465 -1.5,467 -3,468 -0.981,469 10.5,470 0.477,471 0.613,472 0.028,473 32.5,474 1.477,475 18,476 0.818,477 14.5,478 0.659,479 14.728,480 0.669,481 22.5,482 0.682,483 23.666,484 1.076,485 6.553,486 0.298,487 3.92,488 0.178,489 0.267,491 0.362,494 1,496 0.641,497 1.24,498 0.529,499 0.991,500 0.486,501 0.87,502 0.703,503 0.811,504 0.568,505 0.664,506 0.485,507 0.629,508 1.069,509 1.317,510 0.885,511 1.091,512 0.817,513 1.025,514 1.141,515 0.724,516 1,517 0.584,518 0.774,519 0.662,520 0.725,521 0.799,522 1.308,523 1.069,524 0.451,525 1.106,526 1.005,527 0.95,528 2.066,529 1.63,530 0.786,531 1.533,532 0.311,533 0.731,534 0.498,535 0.995,536 0.579,537 1.004,538 0.631,539 1.239,540 0.532,541 1.207,542 0.95,543 1.159,544 5,545 0.058,546 2.667,547 2.167,548 1.807,549 0.889,550 0.685,551 0.421,552 0.07,553 0.091,554 4024,555 16811,556 1.919,557 33.3,559 11,567 1.652,568 1.737,569 3.034,570 -0.672,572 1,574 1,575 58.198,576 1.764,577 3.798,578 4.029,579 4.15,580 4.15,581 4.15,582 2.539,583 3.914,584 4.425,585 3.185,586 735.707,587 7.644,588 7964.79,589 1,590 1,591 1,592 1,593 166.465,594 1.573,595 4.349,596 0.217,597 0.014,598 0.083,599 0.064,600 0.055,601 0.027,602 0.026,603 0.02,604 0.004,605 0.013,606 0.524,607 0.5,608 1,609 1.511,610 99.596,611 -0.048,612 -0.276,613 0.017,614 -0.147,615 0.008,616 -0.072,617 0.061,618 0.141,619 0.164,620 0.218,621 0.054,622 0.251,623 -0.121,624 -0.294,625 -0.004,626 -0.164,627 -0.031,628 -0.149,629 -0.21,630 0.181,631 0.039,632 0.358,633 -0.016,634 0.298,635 0.008,636 0.005,637 -0.102,638 -0.085,639 0.077,640 -0.168,641 -0.094,642 -0.148,643 -0.562,644 -0.574,645 -0.058,646 -0.542,647 0.514,648 0.118,649 0.374,650 0.068,651 0.239,652 0.19,653 0.141,654 -0.4,655 0.236,656 -0.185,657 0.07,658 0.005,659 2.025,660 5.081,661 0.5,662 17.884,663 1.027,664 1.134,665 2.451,666 6.007,667 0.723,668 3.178,669 3.497,670 3.761,671 4.007,672 4.22,673 4.248,674 4.304,675 4.344,676 4.078,677 3.807,678 5.1,679 0.71,680 315.76,681 3.178,682 4.71,683 5.557,684 6.441,685 7.321,686 8.215,687 9.108,688 10.008,689 10.908,690 11.811,691 15.2,697 1,699 1,700 2,701 1,709 4,710 1,714 5,715 1,716 11,732 1,737 2,738 33,739 14,740 1,741 23,743 34,744 15,745 9,746 2,747 4,748 2,752 2,753 2,754 1,767 2,768 11,769 2,772 1,780 1,782 1,785 1,786 1,787 1,789 11,790 5,792 7,793 1,794 1,797 5,803 1,822 1,823 1,833 2,845 1,846 1,855 2,859 2,860 1,861 1,862 22,875 1,877 2,882 2,884 2,885 2,893 12.667,894 6.952,895 5.056,896 1.781,898 2.652,899 1.412,900 0.949,901 4.704,902 9.087,903 3.541,904 4.09,905 4.724,906 5.283,907 5.766,908 6.108,909 6.503,910 6.919,911 7.05,912 7.119,913 0.833,914 34,915 8.018,917 3.318,918 8.232,919 14.517,921 11.124,924 2.732,925 60.111,929 129.482,930 120.168,931 83.928,932 39.149,934 14.96,936 120.168,937 168.631,938 98.888,939 16.793,941 47.381,942 49.989,943 89.933,944 54.109,945 129.482,947 129.482,948 204.096,949 14.96,950 39.149,952 144.442,956 71.745,957 106.089,958 26.262,959 39.149,960 144.442,961 83.928,962 159.317,965 129.482,966 22.791,967 69.197,968 33.203,969 133.013,970 129.482,971 98.888,972 159.317,973 0.578,974 0.347,975 0.181,976 0.106,977 14,978 8,979 0.088,980 3,982 1,983 3.221,984 167.855,986 11,987 88.107,993 15.887,994 6.515,995 3.241,997 96.989,998 5.769,999 4.328,1003 1.296,1004 1.61,1006 387.687,1007 33.5,1015 1.315,1017 -0.101,1020 33.88,1021 37.436,1022 0.35,1023 0.753,1024 0.799,1025 0.823,1026 0.823,1027 0.823,1028 4.794,1029 1,1030 5.565,1031 2.716,1032 4.174,1033 4.775,1034 3.052,1035 6.405,1036 4.027,1037 6.043,1038 0.618,1039 7.152,1040 2.275,1041 3.892,1042 4.605,1043 0.325,1044 7.416,1045 3.619,1046 7.366,1047 0.286,1048 8.841,1049 0.791,1050 5.796,1051 6.998,1052 4.765,1053 10.527,1054 5.505,1055 8.723,1056 -0.082,1057 10.587,1058 0.582,1059 6.312,1060 7.669,1061 0.268,1062 12.386,1063 5.871,1064 10.109,1065 -0.464,1066 12.372,1067 -0.151,1068 7.729,1069 9.514,1070 6.665,1071 15.06,1072 7.261,1073 11.518,1074 -0.815,1075 14.185,1076 -0.996,1077 8.603,1078 10.584,1079 0.188,1080 17.282,1081 7.981,1082 12.946,1083 -1,1084 16.019,1085 -2,1086 9.85,1087 12.205,1088 8.619,1089 19.814,1090 9.176,1091 3.284,1092 -1,1093 17.872,1094 -2.007,1095 10.891,1096 13.475,1097 0.125,1098 22.185,1099 10.071,1100 2.599,1101 11.733,1102 19.74,1103 -3,1104 12.083,1105 15.002,1106 10.59,1107 24.67,1108 11.186,1109 2.473,1110 7.973,1111 21.62,1112 4.376,1113 13.201,1114 16.373,1115 0.082,1116 27.098,1117 12.17,1118 2.242,1119 7.242,1120 23.51,1121 3.589,1122 14.38,1123 17.862,1124 12.566,1125 29.567,1126 13.256,1127 2.067,1128 6.366,1129 25.409,1130 3.349,1131 15.534,1132 19.284,1133 0.054,1134 32.016,1135 14.286,1136 1.32,1137 5.868,1138 27.316,1139 2.752,1140 16.713,1141 20.759,1142 14.544,1143 34.481,1144 15.362,1145 1.086,1146 3.879,1147 29.228,1148 2.646,1149 17.884,1150 22.206,1151 0.035,1152 36.938,1153 16.416,1154 4241,1155 8762,1156 14.334,1157 23.87,1158 37.146,1159 39.87,1160 36.909,1161 34.165,1162 33.951,1163 46.157,1164 10.058,1165 98.848,1166 31.286,1167 5.326,1168 6.234,1169 6.577,1170 5.224,1171 5.284,1172 7.376,1173 5.379,1174 18.985,1175 4.965,1176 14.088,1177 1.615,1178 1.733,1179 1.605,1180 1.485,1181 1.476,1182 2.007,1183 0.437,1184 4.298,1185 1.36,1186 4.053,1187 4.096,1188 4.125,1189 3.919,1190 8.201,1191 3.937,1192 3.79,1193 3.823,1194 3.777,1195 3.696,1196 6.856,1197 3.704,1198 3.598,1199 3.652,1200 3.595,1201 3.437,1202 6.782,1203 3.463,1204 3.374,1205 3.454,1206 3.392,1207 3.154,1208 5.052,1209 3.155,1210 2.912,1211 3.009,1212 3.001,1213 2.735,1214 4.583,1215 2.734,1216 2.884,1217 2.981,1218 2.915,1219 2.711,1220 4.417,1221 2.715,1222 2.874,1223 2.933,1224 2.847,1225 2.652,1226 4.141,1227 2.713,1228 2.854,1229 2.925,1230 2.687,1231 2.618,1232 3.841,1233 2.57,1234 0.202,1235 0.184,1236 0.303,1237 0.182,1238 0.143,1239 4.639,1240 0.19,1241 4.234,1242 0.117,1243 6.959,1244 0.51,1245 4.189,1246 0.129,1247 3.284,1248 4.376,1249 2.689,1250 11.733,1251 2.965,1252 1.901,1253 1.872,1254 1.991,1255 2.02,1256 1.091,1257 2.012,1258 1.691,1259 1.666,1260 1.79,1261 1.824,1262 0.856,1263 1.815,1264 1.536,1265 1.454,1266 1.728,1267 1.77,1268 0.759,1269 1.764,1270 1.244,1271 1.211,1272 1.417,1273 1.427,1274 0.469,1275 1.4,1276 1.038,1277 0.969,1278 1.257,1279 1.28,1280 0.382,1281 1.308,1282 0.934,1283 0.821,1284 1.181,1285 1.239,1286 0.218,1287 1.244,1288 0.886,1289 0.804,1290 1.112,1291 1.062,1293 1.107,1294 0.754,1295 0.692,1296 0.787,1297 1.029,1299 0.957,1300 3.85,1302 5.165,1303 2.398,1304 6.673,1305 4.844,1306 8.27,1307 7.034,1308 9.916,1310 3.559,1311 6.323,1312 13.081,1321 1.727,1324 17.681,1325 3.523,1326 23.425,1327 58.198,1328 125.346,1329 132.955,1330 136.955,1331 136.955,1332 136.955,1333 48.617,1334 6.435,1335 68.64,1336 68.64,1337 11,1338 12.332,1339 3.907,1340 3.524,1341 41.875,1342 65,1343 70,1344 0.325,1345 154.097,1346 271.42,1347 367.757,1348 3969,1349 6.1,1350 16.276,1351 0.74,1352 0.574,1353 15.905,1354 12.635,1355 10.473,1356 0.455,1357 0.286,1358 6.125,1359 9.751,1360 5.88,1361 4.942,1362 10.368,1363 6.588,1364 9.278,1365 0.29,1366 0.154,1367 8.99,1368 4.934,1369 7.672,1370 0.183,1371 0.076,1372 7.689,1373 3.198,1374 5.953,1375 0.11,1376 0.039,1377 6.197,1378 2.113,1379 4.884,1380 0.073,1381 0.022,1382 5.07,1383 1.478,1384 0.488,1385 69.237,1386 0.264,1387 21.287,1388 0.957,1389 110,1390 432.54,1391 138.437,1392 433.748,1393 561.76,1394 398,1395 129,1396 378.168,1397 155.75,1398 392.784,1399 566.26,1400 364,1401 4.556}
{0 CHEMBL1533396,1 1.544,2 8.611,3 1.857,4 3.45,5 69.665,6 7.572,7 0.6,8 3.591,9 3.695,10 3.186,11 3.114,12 4.683,13 3.114,14 4.105,15 4.253,16 3.477,17 3.451,18 5.16,19 3.437,20 4.293,21 4.483,22 3.445,23 3.518,24 5.287,25 3.46,26 4.189,27 4.409,28 3.151,29 3.394,30 5.073,31 3.277,32 4.125,33 4.393,34 3,35 3.274,36 4.942,37 3.139,38 3.907,39 4.137,40 2.907,41 3.139,42 4.785,43 3.035,44 3.806,45 4.023,46 2.857,47 3.036,48 4.734,49 2.944,50 3.741,51 3.986,52 2.731,53 2.831,54 4.646,55 2.752,56 0.024,57 0.454,58 6.386,59 2.896,60 5.057,61 3.579,62 0.153,63 0.709,64 12.233,65 4.593,66 15.175,67 5.668,68 0.32,69 0.812,70 16.042,71 5.693,72 24.266,73 7.372,74 0.193,75 0.743,76 14.431,77 5.436,78 17.748,79 7.47,80 0.236,81 0.683,82 14.578,83 5.186,84 18.773,85 7.434,86 0.141,87 0.549,88 11.13,89 4.143,90 13.362,91 5.63,92 0.105,93 0.493,94 9.843,95 3.753,96 12.702,97 5.042,98 0.121,99 0.436,100 9.878,101 3.361,102 13.622,103 4.593,105 26,106 0.29,107 0.618,108 0.742,109 0.81,110 0.822,111 0.834,112 2.959,113 0.891,114 -2.51,115 -2.54,116 -2.48,120 43.8,126 3,143 5,144 1,145 3,146 2,174 3,177 4,182 3,185 2,188 1,189 4,194 3,197 1,201 1,204 1,209 2,217 2,222 5,227 1,235 2,240 5,252 3,263 1,274 356,275 12.637,276 12.637,277 12.637,278 12.637,279 12.637,280 11.162,281 17.707,282 7.811,283 13.037,284 9.921,285 9.921,286 9.921,287 9.921,288 9.921,289 7.713,290 27.138,291 3.765,292 10.547,293 3.456,294 1.712,295 1.05,296 0.688,297 0.625,298 0.563,299 3.649,306 1,307 1,308 341,309 2,313 141.253,317 73.213,320 1.321,321 11.726,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39,333 155,334 4.278,335 3.257,336 6.183,337 3.868,338 2.925,339 3.916,340 0.86,341 9.226,342 2.757,343 3.901,344 2.8,345 5.39,346 3.52,347 2.539,348 3.445,349 0.86,350 7.09,351 2.492,352 3.556,353 2.447,354 5.195,355 3.189,356 2.239,357 2.869,358 0.657,359 6.518,360 2.115,361 2.923,362 2.177,363 4.414,364 2.53,365 1.618,366 2.087,368 4.368,369 1.469,370 2.917,371 1.822,372 3.653,373 2.438,374 1.508,375 2.061,377 3.166,378 1.399,379 2.5,380 1.588,381 3.604,382 2.319,383 1.401,384 1.5,386 2.997,387 1.274,388 2.482,389 1.038,390 3.247,391 1.984,392 1,393 1.481,395 2.136,396 0.983,397 1.999,398 1,399 3.217,400 1.701,401 0.78,402 0.922,404 1.786,405 0.713,406 1.742,407 0.831,408 3.065,409 1.462,410 0.551,411 0.639,413 1.293,414 0.499,415 0.966,416 0.083,417 2.434,418 0.64,419 -0.3,420 -0.357,422 -0.731,423 -0.279,424 0.688,425 -0.239,426 2.161,427 0.313,428 -0.618,429 -0.729,431 -1.537,432 -0.564,433 0.636,434 -0.419,435 2,436 0.242,437 -0.702,438 -0.858,440 -1.611,441 -0.659,442 0.5,443 -0.885,444 1.722,445 -0.049,446 -1,447 -1.328,449 -2.347,450 -0.946,451 0.159,452 -1,453 1.555,454 -0.123,455 -1.073,456 -1.5,458 -2.803,459 -1.016,460 -0.052,461 -1.095,462 1.163,463 -0.348,464 -1.294,465 -1.632,467 -3.563,468 -1.212,469 8.467,470 0.47,471 0.256,472 0.014,473 25.5,474 1.417,475 13.5,476 0.75,477 12,478 0.667,479 10.242,480 0.569,481 19.133,482 0.598,483 14.811,484 0.823,485 5.226,486 0.29,487 3.69,488 0.205,491 0.236,496 0.909,497 1.286,498 0.753,499 1.11,500 0.841,501 0.933,502 1.415,503 1.118,504 1.013,505 1.014,506 1.216,507 0.951,508 1.228,509 1.034,510 1.078,511 0.993,512 1.139,513 1.008,514 0.799,515 1.167,516 1.129,517 1.199,518 0.916,519 1.221,520 0.582,521 0.753,522 0.891,523 0.854,524 0.724,525 0.912,526 0.931,527 0.905,528 1.009,529 0.947,530 1.001,531 0.984,532 0.936,533 1.042,534 1.003,535 1.084,536 0.902,537 1.062,538 1.114,539 0.949,540 0.875,541 0.944,542 0.95,543 0.88,544 2.5,545 0.016,546 1.333,547 0.375,548 0.747,549 0.208,550 0.101,551 0.155,552 0.057,553 0.027,554 3224,555 8500,556 2.189,557 43.8,559 11,561 2,562 1,567 1.58,568 2.16,569 3.126,570 -0.28,572 1,573 1,574 1,575 49.394,576 1.544,577 3.288,578 3.95,579 4.313,580 4.375,581 4.438,582 2.53,583 3.725,584 4.145,585 3.217,586 492.139,587 6.999,588 4710.44,589 1,590 1,592 1,593 160,594 0.764,595 4.146,596 0.125,597 0.004,598 0.051,599 0.016,600 0.044,601 0.014,602 0.007,603 0.012,604 0.005,605 0.003,606 0.281,607 0.83,608 1,610 77.349,611 -0.045,612 -0.166,613 0.068,614 -0.094,615 -0.025,616 -0.007,617 -0.208,618 -0.062,619 -0.092,620 -0.047,621 -0.145,622 -0.045,623 -0.034,624 -0.051,625 -0.108,626 -0.031,627 -0.065,628 -0.073,630 -0.197,631 -0.19,632 -0.225,633 -0.106,634 -0.243,635 0.118,636 0.189,637 0.095,638 0.114,639 0.08,640 0.101,641 -0.103,642 0.046,643 -0.051,644 0.039,645 -0.133,646 0.011,647 -0.067,648 -0.095,649 -0.051,650 -0.095,651 0.003,652 -0.073,653 -0.04,654 -0.049,655 0.155,656 0.015,657 0.15,658 0.106,659 0.888,660 2.041,661 0.889,662 12.222,663 1.005,664 1.122,665 1.282,666 1.643,667 0.672,668 3.045,669 3.296,670 3.526,671 3.738,672 3.97,673 3.85,674 3.912,675 4.007,676 4.094,677 3.912,678 5.114,679 0.645,680 242.3,681 3.045,682 4.533,683 5.352,684 6.188,685 7.022,686 7.864,687 8.703,688 9.547,689 10.39,690 11.236,691 6.3,696 1,701 1,709 7,710 1,714 4,716 12,729 1,735 2,738 32,739 12,740 1,741 20,743 34,744 14,745 11,746 3,747 3,752 3,753 4,768 11,769 3,786 1,789 14,790 4,791 1,792 4,797 2,803 0.667,804 2,816 1,823 3,827 1,855 2,862 18,869 3,871 1,872 2,886 6.3,891 2,893 8.333,894 5.617,895 4.028,896 1.842,898 2.19,899 1.339,900 0.995,901 3.326,902 8.65,903 3.296,904 3.829,905 4.344,906 4.836,907 5.344,908 5.266,909 5.458,910 5.741,911 6.098,912 6.213,913 0.833,914 24,915 6.615,917 2.731,918 7.593,919 12.776,921 10.209,924 2.093,925 37.667,926 0.002,929 153.024,930 93.196,931 34.796,933 22,936 93.196,937 175.024,938 34.796,940 11.29,941 47.381,942 58.338,943 56.524,945 129.482,947 153.024,948 127.992,949 22,952 153.024,953 22,956 29.385,957 63.81,958 34.796,960 153.024,961 56.796,962 93.196,965 153.024,966 27.72,967 65.476,968 18.011,969 38.785,970 153.024,971 56.796,972 93.196,973 0.562,974 0.32,975 0.173,976 0.097,977 13,978 4,979 0.088,980 3,981 1,982 1.125,983 3.252,984 124.325,985 0.125,986 16,987 71.059,993 11.356,994 5.272,995 2.759,997 56.796,998 13.464,999 3.994,1003 3.84,1005 18.011,1006 303.016,1007 26,1020 32.16,1021 35.907,1022 0.309,1023 0.658,1024 0.79,1025 0.863,1026 0.875,1027 0.888,1028 4.477,1029 0.78,1030 5.273,1031 2.136,1032 3.97,1033 4.511,1034 1.573,1035 5.979,1036 3.859,1037 5.626,1038 0.551,1039 6.753,1040 1.786,1041 3.219,1042 4.007,1044 6.629,1045 3.091,1046 6.885,1047 -0.3,1048 8.333,1049 1.293,1050 5.451,1051 6.605,1052 1.27,1053 9.706,1054 5.246,1055 8.18,1056 -0.618,1057 9.975,1058 -0.731,1059 5.565,1060 6.943,1062 11.237,1063 5.333,1064 9.51,1065 -0.702,1066 11.657,1067 -1.537,1068 7.194,1069 8.967,1070 1.022,1071 13.77,1072 6.899,1073 10.862,1074 -1,1075 13.369,1076 -1.611,1077 7.751,1078 9.724,1080 15.674,1081 7.414,1082 12.232,1083 -1.073,1084 15.101,1085 -2.347,1086 9.086,1087 11.465,1088 0.818,1089 18.011,1090 8.695,1091 2.925,1092 -1.294,1093 16.849,1094 -2.803,1095 9.882,1096 12.456,1098 20.084,1099 9.434,1100 2.539,1101 9.226,1102 18.608,1103 -3.563,1104 11.071,1105 14.04,1106 0.65,1107 22.347,1108 10.572,1109 2.239,1110 7.09,1111 20.377,1112 3.916,1113 11.994,1114 15.171,1116 24.498,1117 11.431,1118 1.618,1119 6.518,1120 22.153,1121 3.445,1122 13.113,1123 16.663,1124 0.511,1125 26.734,1126 12.498,1127 1.508,1128 4.368,1129 23.936,1130 2.869,1131 14.103,1132 17.881,1134 28.921,1135 13.422,1136 1.401,1137 3.166,1138 25.724,1139 2.087,1140 15.19,1141 19.318,1142 0.399,1143 31.147,1144 14.454,1145 1,1146 2.997,1147 27.516,1148 2.061,1149 16.216,1150 20.59,1152 33.352,1153 15.414,1154 3053,1155 5041,1156 14.099,1157 21.489,1158 29.196,1159 29.489,1160 29.137,1161 29.104,1162 29.121,1163 37.84,1164 4.755,1165 77.161,1166 27.401,1167 5.222,1168 5.257,1169 5.985,1170 5.008,1171 4.925,1172 6.916,1173 1.72,1174 15.537,1175 4.757,1177 1.46,1178 1.474,1179 1.457,1180 1.455,1181 1.456,1182 1.892,1183 0.238,1184 3.858,1185 1.37,1186 3.973,1187 4,1188 3.921,1189 3.863,1190 4.964,1191 3.873,1192 3.853,1193 3.886,1194 3.791,1195 3.752,1196 4.89,1197 3.756,1198 3.48,1199 3.533,1200 3.354,1201 3.262,1202 4.413,1203 3.275,1204 3.196,1205 3.283,1206 3.048,1207 2.981,1208 4.215,1209 2.988,1210 2.894,1211 2.936,1212 2.779,1213 2.735,1214 3.986,1215 2.726,1216 2.854,1217 2.925,1218 2.687,1219 2.727,1220 3.674,1221 2.715,1222 2.711,1223 2.767,1224 2.605,1225 2.572,1226 3.589,1227 2.574,1228 2.498,1229 2.578,1230 2.306,1231 2.156,1232 3.423,1233 2.173,1234 0.214,1235 0.163,1236 0.309,1237 0.193,1238 0.146,1239 4.278,1240 0.196,1241 3.257,1242 0.043,1243 6.183,1244 0.461,1245 3.868,1246 0.138,1247 2.925,1248 3.916,1249 0.86,1250 9.226,1251 2.757,1252 1.911,1253 1.888,1254 2.016,1255 2.047,1256 1.143,1257 2.038,1258 1.826,1259 1.795,1260 1.94,1261 1.957,1262 1.056,1263 1.953,1264 1.427,1265 1.374,1266 1.686,1267 1.67,1268 0.911,1269 1.675,1270 1.163,1271 1.078,1272 1.433,1273 1.415,1274 0.539,1275 1.43,1276 0.886,1277 0.821,1278 1.181,1279 1.084,1280 0.218,1281 1.107,1282 0.863,1283 0.814,1284 1.125,1285 1.062,1286 0.187,1287 1.092,1288 0.683,1289 0.638,1290 0.907,1291 0.882,1292 0.055,1293 0.889,1294 0.422,1295 0.327,1296 0.879,1297 0.811,1298 0.008,1299 0.839,1300 3.714,1302 4.977,1304 6.454,1306 8.023,1308 9.636,1315 2,1317 3.348,1318 11.021,1326 20.633,1327 49.394,1328 105.229,1329 126.39,1330 138,1331 140,1332 142,1333 17.588,1334 6.46,1335 43.38,1336 43.38,1337 18,1338 11.797,1339 3.7,1340 2.807,1341 25.931,1342 55,1343 48,1344 0.231,1345 126.9,1346 215.62,1347 301.395,1348 5114,1350 12.209,1351 0.678,1352 0.551,1353 12.209,1354 9.926,1355 8.916,1356 0.446,1357 0.297,1358 5.837,1359 8.507,1360 5.743,1361 4.731,1362 8.916,1363 5.941,1364 7.565,1365 0.291,1366 0.156,1367 7.565,1368 4.067,1369 6.356,1370 0.193,1371 0.084,1372 6.356,1373 2.788,1374 5.18,1375 0.126,1376 0.045,1377 5.18,1378 1.858,1379 4.363,1380 0.084,1381 0.024,1382 4.363,1383 1.271,1384 0.363,1385 56.266,1386 0.266,1387 18.39,1388 0.625,1389 92,1390 281.449,1391 102.194,1392 264.506,1393 365.46,1394 252,1395 105,1396 267.712,1397 115.694,1398 267.777,1399 389.31,1400 253,1401 5.17}
{0 CHEMBL1533738,1 1.848,2 9.462,3 3.136,4 9.835,5 98.259,6 9.295,7 0.429,8 3.821,9 3.936,10 3.564,11 3.322,12 5.099,13 3.35,14 4.331,15 4.504,16 3.982,17 3.691,18 5.627,19 3.704,20 4.528,21 4.707,22 4.029,23 3.804,24 5.804,25 3.812,26 4.624,27 4.835,28 4.081,29 3.727,30 6.117,31 3.742,32 4.399,33 4.559,34 3.957,35 3.667,36 5.853,37 3.694,38 4.409,39 4.578,40 4.026,41 3.628,42 6.107,43 3.634,44 4.28,45 4.47,46 3.738,47 3.565,48 5.598,49 3.543,50 4.198,51 4.361,52 3.828,53 3.436,54 5.838,55 3.436,56 0.141,57 0.663,58 4.884,59 2.827,60 13.146,61 3.198,62 0.504,63 1,64 12.707,65 4.863,66 30.811,67 6.05,68 0.425,69 1.128,70 15.555,71 6.15,72 48.445,73 7.468,74 0.933,75 1.106,76 22.704,77 6.301,78 113.037,79 7.781,80 0.513,81 0.965,82 14.376,83 4.525,84 65.554,85 4.525,86 0.723,87 0.92,88 18.667,89 4.874,90 110.81,91 5.721,92 0.488,93 0.807,94 20.617,95 4.741,96 50.228,97 5.361,98 0.536,99 0.765,100 12.389,101 4.005,102 66.588,103 4.685,104 42,105 40,106 0.324,107 0.674,108 0.76,109 0.787,110 0.787,111 0.787,112 3.305,113 0.867,114 -4.77,115 -4.68,116 -4.4,120 40,121 2,127 1,128 1,143 4,144 2,151 3,159 3,174 6,176 9,177 6,180 2,182 2,185 7,189 6,197 3,200 9,201 14,204 2,206 1,214 4,226 8,227 14,230 2,235 2,240 6,251 2,252 14,255 2,257 2,260 2,264 2,269 2,271 2,274 990,275 17.162,276 17.162,277 17.162,278 17.162,279 17.162,280 15.422,281 24.728,282 9.968,283 17.796,284 13.744,285 13.744,286 13.744,287 13.744,288 13.744,289 10.883,290 38.443,291 4.646,292 14.785,293 3.474,294 1.482,295 0.988,296 0.838,297 0.838,298 0.838,299 3.98,304 1,305 1,306 1,307 1,308 518,309 3.606,312 56.572,313 162.198,316 111.017,320 1.426,321 39.121,323 1,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 57.833,333 246,334 4.59,335 4.006,336 6.97,337 4.297,338 3.311,339 4.147,340 1.412,341 11.719,342 3.264,343 4.271,344 3.933,345 6.209,346 3.827,347 2.933,348 3.874,349 1.332,350 9.338,351 2.62,352 3.802,353 3.256,354 5.69,355 3.417,356 2.506,357 2.982,358 0.8,359 7.563,360 2.288,361 3.502,362 3.119,363 5.491,364 3.15,365 2.214,366 2.758,367 0.445,368 6.964,369 2.093,370 3.441,371 2.715,372 5.46,373 3.066,374 2.096,375 2.65,376 0.4,377 6.426,378 2.086,379 3.4,380 2.592,381 4.892,382 2.99,383 2.026,384 2.595,386 5.672,387 1.85,388 3.205,389 2.399,390 4.368,391 2.614,392 1.735,393 2.029,395 4.37,396 1.449,397 2.92,398 1.953,399 4.221,400 2.388,401 1.421,402 1.927,404 3.67,405 1.365,406 2.805,407 1.778,408 3.664,409 2.188,410 1.266,411 1.83,413 2.948,414 1.149,415 2.48,416 1.35,417 3.618,418 1.942,419 0.914,420 1.387,422 2.21,423 0.934,424 2.314,425 1.261,426 3.22,427 1.493,428 0.513,429 0.786,431 1.021,432 0.493,433 1.651,434 1.147,435 2.683,436 0.938,437 -0.032,438 -0.05,440 -0.057,441 -0.03,442 1.093,443 0.215,444 2.584,445 0.766,446 -0.15,447 -0.175,449 -0.414,450 -0.137,451 0.926,452 0.007,453 2.479,454 0.463,455 -0.421,456 -0.523,458 -1.053,459 -0.257,460 0.899,461 -0.03,462 2.343,463 0.344,464 -0.585,465 -0.833,467 -1.379,468 -0.606,469 12.181,470 0.468,471 0.771,472 0.03,473 37.5,474 1.442,475 19,476 0.731,477 18.5,478 0.712,479 19.132,480 0.736,481 27.419,482 0.685,483 28.895,484 1.111,485 7.232,486 0.278,487 5.169,488 0.199,489 0.228,491 0.394,496 0.745,497 1.654,498 0.551,499 1.093,500 0.535,501 0.906,502 0.408,503 0.657,504 0.555,505 0.77,506 0.46,507 0.756,508 0.95,509 1.391,510 0.662,511 1.1,512 0.849,513 0.969,514 0.955,515 0.712,516 0.725,517 0.746,518 1.188,519 0.767,520 1.592,521 1.257,522 1.104,523 0.932,524 1.415,525 0.91,526 0.958,527 1.01,528 1.313,529 1.055,530 0.859,531 1.013,532 1.431,533 0.925,534 1.765,535 1.018,536 1.042,537 0.926,538 0.737,539 1.348,540 0.961,541 1.21,542 1.063,543 1.141,544 6,545 0.118,546 2.889,547 3.049,548 1.476,549 1.219,550 0.681,551 0.401,552 0.311,553 0.187,554 7089,555 24949,556 1.992,557 35,559 5,560 2,562 1,564 6,567 1.695,568 1.814,569 3.224,570 -0.18,571 1,572 1,575 73.923,576 1.848,577 3.84,578 4.334,579 4.484,580 4.484,581 4.484,582 2.656,583 4.085,584 4.674,585 3.39,586 1101.81,587 8.122,588 13523.1,589 1,590 1,592 1,593 212.877,594 1.549,595 4.601,596 0.214,597 0.007,598 0.072,599 0.073,600 0.037,601 0.033,602 0.019,603 0.013,604 0.011,605 0.01,606 0.49,607 0.17,608 1,609 1.134,610 125.695,611 -0.104,612 -0.457,613 0.02,614 -0.175,615 -0.03,616 -0.068,617 0.387,618 0.466,619 0.18,620 0.136,621 0.122,622 0.131,623 -0.097,624 -0.372,625 0.093,626 -0.154,627 -0.051,628 -0.018,629 0.227,630 0.241,631 0.199,632 0.169,633 0.069,634 0.176,635 -0.465,636 -0.193,637 -0.187,638 -0.027,639 -0.248,640 -0.073,641 0.213,642 0.022,643 -0.097,644 -0.109,645 0.348,646 -0.144,647 -0.418,648 0.067,649 -0.373,650 0.009,651 -0.188,652 0.033,653 0.299,654 -0.312,655 0.057,656 -0.27,657 0.135,658 -0.252,659 2.147,660 5.447,661 0.577,662 20.385,663 1.031,664 1.138,665 3.538,666 12.515,667 0.696,668 3.367,669 3.714,670 3.989,671 4.29,672 4.477,673 4.533,674 4.585,675 4.682,676 4.585,677 4.635,678 5.831,679 0.688,680 371.82,681 3.367,682 4.92,683 5.778,684 6.676,685 7.556,686 8.461,687 9.351,688 10.258,689 11.153,690 12.062,691 17.5,696 1,697 1,698 1,700 1,701 3,707 1,709 4,710 3,714 5,716 12,729 1,732 1,737 1,738 40,739 15,740 1,741 28,743 42,744 16,745 9,746 2,747 4,748 2,752 3,753 4,754 1,759 2,766 1,767 1,768 11,769 4,772 2,778 2,782 2,785 1,786 1,789 14,790 9,791 1,792 10,793 1,797 7,800 1,803 0.667,804 2,822 1,823 2,826 1,855 2,859 2,860 1,862 26,869 1,871 1,874 1,875 2,877 1,882 1,884 1,885 1,886 5,889 2,893 14.333,894 8.093,895 5.75,896 2.369,898 2.37,899 1.332,900 0.953,901 5.035,902 9.519,903 3.664,904 4.205,905 4.758,906 5.317,907 5.775,908 5.945,909 6.141,910 6.403,911 6.432,912 6.627,913 1,914 42,915 9.601,917 4.152,918 8.139,919 17.416,921 13.812,924 2.639,925 68.611,928 1,929 153.024,930 95.627,931 105.675,932 39.149,933 50.29,936 95.627,937 242.463,938 105.675,939 17.65,940 4.801,941 37.905,942 144.239,943 40.555,944 69.132,945 129.482,947 153.024,948 201.302,949 50.29,950 39.149,952 82.398,953 120.916,956 59.952,957 72.983,958 68.367,959 39.149,960 153.024,961 155.965,962 134.775,965 153.024,966 23.898,967 61.804,968 34.184,969 170.854,970 153.024,971 155.965,972 134.775,973 0.584,974 0.342,975 0.196,976 0.107,977 19,978 10,979 0.119,980 5,981 1,982 1.133,983 3.618,984 220.207,985 0.133,986 15,987 110.211,993 18.063,994 7.247,995 3.625,997 155.965,998 6.476,999 11.967,1003 0.614,1005 18.011,1006 443.765,1007 38,1013 24.893,1017 -0.96,1020 41.225,1021 45.512,1022 0.347,1023 0.722,1024 0.814,1025 0.843,1026 0.843,1027 0.843,1028 4.927,1029 1.421,1030 5.79,1031 4.37,1032 4.394,1033 4.89,1034 2.33,1035 6.64,1036 4.27,1037 6.145,1038 1.266,1039 7.377,1040 3.67,1041 4.111,1042 4.705,1043 0.57,1044 7.612,1045 3.928,1046 7.456,1047 0.914,1048 9.064,1049 2.948,1050 6.023,1051 7.016,1052 2.679,1053 10.745,1054 5.799,1055 8.797,1056 0.513,1057 10.807,1058 2.21,1059 6.524,1060 7.612,1061 1.379,1062 12.555,1063 6.275,1064 10.169,1065 -0.032,1066 12.589,1067 1.021,1068 7.96,1069 9.44,1070 3.16,1071 15.23,1072 7.675,1073 11.565,1074 -0.15,1075 14.397,1076 -0.057,1077 8.83,1078 10.424,1079 2.198,1080 17.413,1081 8.54,1082 12.981,1083 -0.421,1084 16.226,1085 -0.414,1086 10.089,1087 12.04,1088 3.698,1089 19.933,1090 9.774,1091 3.311,1092 -0.585,1093 18.072,1094 -1.053,1095 11.13,1096 13.224,1097 2.987,1098 22.275,1099 10.817,1100 2.933,1101 11.719,1102 19.931,1103 -1.379,1104 12.327,1105 14.738,1106 4.268,1107 24.746,1108 12,1109 2.506,1110 9.338,1111 21.803,1112 4.147,1113 13.445,1114 16.026,1115 3.747,1116 27.155,1117 13.12,1118 2.214,1119 7.563,1120 23.684,1121 3.874,1122 14.625,1123 17.488,1124 4.859,1125 29.612,1126 14.292,1127 2.096,1128 6.964,1129 25.574,1130 2.982,1131 15.777,1132 18.832,1133 4.485,1134 32.048,1135 15.445,1136 2.026,1137 6.426,1138 27.471,1139 2.758,1140 16.955,1141 20.267,1142 5.465,1143 34.503,1144 16.617,1145 1.735,1146 5.672,1147 29.375,1148 2.65,1149 18.124,1150 21.64,1151 5.207,1152 36.952,1153 17.785,1154 7049,1155 13403,1156 17.918,1157 27.852,1158 44.193,1159 47.739,1160 44.749,1161 42.076,1162 41.873,1163 53.93,1164 8.778,1165 123.804,1166 39.18,1167 5.521,1168 6.006,1169 6.649,1170 5.397,1171 5.311,1172 7.147,1173 2.716,1174 18.895,1175 5.264,1176 15.767,1177 1.578,1178 1.705,1179 1.598,1180 1.503,1181 1.495,1182 1.926,1183 0.313,1184 4.422,1185 1.399,1186 4.024,1187 4.048,1188 4.013,1189 3.926,1190 7.447,1191 3.936,1192 3.855,1193 3.917,1194 3.947,1195 3.623,1196 7.408,1197 3.665,1198 3.615,1199 3.692,1200 3.526,1201 3.424,1202 6.821,1203 3.428,1204 3.482,1205 3.542,1206 3.491,1207 3.276,1208 5.174,1209 3.302,1210 3.274,1211 3.321,1212 3.304,1213 3.048,1214 4.687,1215 3.089,1216 3.014,1217 3.021,1218 3.104,1219 2.843,1220 4.518,1221 2.858,1222 2.874,1223 3.009,1224 2.973,1225 2.618,1226 4.279,1227 2.61,1228 2.82,1229 2.906,1230 2.714,1231 2.595,1232 4.004,1233 2.592,1234 0.164,1235 0.143,1236 0.249,1237 0.153,1238 0.118,1239 4.59,1240 0.148,1241 4.006,1242 0.05,1243 6.97,1244 0.419,1245 4.297,1246 0.117,1247 3.311,1248 4.147,1249 1.412,1250 11.719,1251 3.264,1252 1.887,1253 1.868,1254 1.986,1255 1.987,1256 1.1,1257 1.968,1258 1.73,1259 1.664,1260 1.926,1261 1.959,1262 1.085,1263 1.951,1264 1.59,1265 1.52,1266 1.715,1267 1.83,1268 0.873,1269 1.823,1270 1.422,1271 1.375,1272 1.501,1273 1.687,1274 0.469,1275 1.648,1276 1.124,1277 1.08,1278 1.417,1279 1.396,1280 0.439,1281 1.333,1282 1.007,1283 0.994,1284 1.218,1285 1.239,1286 0.25,1287 1.308,1288 0.934,1289 0.804,1290 1.133,1291 1.198,1292 0.211,1293 1.168,1294 0.81,1295 0.738,1296 1.023,1297 1.031,1299 1.05,1300 4.043,1302 5.38,1303 2.398,1304 6.907,1305 4.949,1306 8.524,1307 7.195,1308 10.19,1310 3.774,1311 5.896,1315 -0.329,1317 2.96,1320 0.035,1321 1.96,1324 9.456,1325 1.869,1326 27.514,1327 73.923,1328 153.593,1329 173.367,1330 179.367,1331 179.367,1332 179.367,1333 59.913,1334 7.148,1335 116.8,1336 116.8,1337 17,1338 12.581,1339 4,1340 3.459,1341 44.154,1342 90,1343 88,1344 0.241,1345 176.679,1346 309.87,1347 422.857,1348 11186,1349 2.5,1350 18.845,1351 0.725,1352 0.566,1353 19.345,1354 14.728,1355 12.401,1356 0.443,1357 0.289,1358 7.591,1359 11.512,1360 7.354,1361 6.145,1362 12.69,1363 8.088,1364 11.466,1365 0.287,1366 0.153,1367 11.874,1368 6.119,1369 9.224,1370 0.174,1371 0.07,1372 9.46,1373 3.706,1374 8.126,1375 0.113,1376 0.036,1377 8.444,1378 2.587,1379 6.226,1380 0.072,1381 0.019,1382 6.467,1383 1.632,1384 0.37,1385 81.836,1386 0.236,1387 24.713,1388 0.684,1389 136,1390 491.878,1391 171.819,1392 505.405,1393 668.91,1394 466,1395 161,1396 468.009,1397 189.898,1398 481.71,1399 708.25,1400 449,1401 4.555}
{0 CHEMBL1534012,1 1.784,2 9.636,3 2.692,4 7.246,5 84.644,6 8.733,7 0.458,8 3.705,9 3.803,10 3.458,11 3.311,12 4.913,13 3.278,14 4.216,15 4.365,16 3.817,17 3.685,18 5.34,19 3.624,20 4.399,21 4.584,22 3.828,23 3.705,24 5.551,25 3.618,26 4.304,27 4.517,28 3.694,29 3.615,30 5.495,31 3.507,32 4.123,33 4.281,34 3.648,35 3.505,36 5.438,37 3.406,38 4.1,39 4.279,40 3.472,41 3.38,42 5.399,43 3.291,44 3.986,45 4.175,46 3.265,47 3.189,48 5.434,49 3.139,50 3.959,51 4.193,52 3.169,53 3.11,54 5.104,55 3.057,56 0.099,57 0.554,58 5.906,59 3.265,60 11.199,61 3.655,62 0.191,63 0.899,64 14.612,65 6.082,66 20.247,67 7.013,68 0.414,69 1.018,70 18.714,71 6.6,72 42.598,73 7.286,74 0.342,75 0.951,76 19.183,77 6.379,78 42.502,79 7.372,80 0.333,81 0.795,82 14.803,83 5.533,84 38.865,85 5.973,86 0.238,87 0.755,88 18.162,89 5.793,90 39.423,91 5.903,92 0.301,93 0.644,94 10.634,95 3.93,96 69.989,97 4.515,98 0.269,99 0.612,100 15.385,101 4.545,102 35.972,103 5.385,104 11,105 33,106 0.322,107 0.712,108 0.839,109 0.869,110 0.869,111 0.869,112 3.146,113 0.991,114 -3.16,115 -3.15,116 -3.03,120 41.7,121 1,122 3,126 1,143 2,144 2,147 1,148 2,153 1,159 2,167 1,174 5,177 8,180 2,182 1,185 7,189 6,192 1,194 1,197 4,200 2,201 3,206 1,209 4,213 2,214 3,217 1,219 1,222 3,227 5,232 1,239 2,240 4,243 1,245 2,247 2,251 1,252 4,257 2,260 1,263 1,264 5,271 3,274 628,275 14.903,276 14.903,277 14.903,278 14.903,279 14.903,280 13.286,281 19.368,282 8.784,283 15.209,284 11.803,285 11.803,286 11.803,287 11.803,288 11.803,289 9.136,290 21.406,291 4.122,292 12.314,293 3.386,294 1.224,295 0.521,296 0.354,297 0.354,298 0.354,299 3.824,305 1,306 1,307 1,308 458,309 3.162,312 119.354,313 59.588,316 95.134,320 1.43,321 23.815,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48,333 212,334 4.429,335 4.503,336 6.361,337 4.013,338 3.05,339 4.111,340 3.359,341 9.828,342 2.945,343 4.111,344 4.036,345 5.879,346 3.707,347 2.741,348 3.72,349 2.035,350 8.116,351 2.648,352 3.877,353 3.581,354 5.618,355 3.483,356 2.528,357 3.209,358 1.737,359 7.781,360 2.407,361 3.623,362 3.11,363 5.019,364 3.27,365 2.268,366 2.822,367 0.146,368 6.045,369 2.256,370 3.325,371 2.794,372 4.708,373 2.723,374 1.791,375 2.361,377 5.12,378 1.658,379 3.028,380 2.617,381 4.48,382 2.632,383 1.663,384 2.168,386 4.56,387 1.599,388 2.917,389 2.057,390 3.905,391 2.119,392 1.13,393 1.459,395 2.897,396 1.117,397 2.225,398 2.028,399 3.459,400 2.045,401 1.123,402 1.203,404 2.469,405 1.013,406 2.206,407 1.625,408 3.274,409 1.721,410 0.734,411 1.069,413 1.738,414 0.723,415 2.052,416 1.136,417 3.069,418 1.339,419 0.47,420 0.642,422 1.056,423 0.397,424 1.589,425 0.814,426 2.738,427 1.219,428 0.266,429 0.376,431 0.451,432 0.253,433 1.022,434 0.481,435 2.627,436 0.672,437 -0.304,438 -0.362,440 -0.804,441 -0.288,442 0.749,443 0.336,444 2.403,445 0.353,446 -0.593,447 -0.75,449 -1.376,450 -0.541,451 0.729,452 -0.102,453 1.866,454 0.257,455 -0.714,456 -1.026,458 -1.935,459 -0.693,460 0.416,461 -0.185,462 1.604,463 0.144,464 -0.843,465 -1.043,467 -2.006,468 -0.825,469 10.6,470 0.482,471 0.52,472 0.024,473 29.75,474 1.352,475 15.5,476 0.705,477 14.25,478 0.648,479 16.49,480 0.75,481 23,482 0.639,483 18.592,484 0.845,485 5.405,486 0.246,487 5.247,488 0.239,489 0.116,491 0.33,496 0.636,497 1.097,498 0.683,499 0.887,500 0.467,501 0.854,502 0.592,503 1.176,504 0.91,505 1.147,506 0.443,507 0.965,508 1.22,509 1.057,510 1.003,511 0.946,512 1.033,513 0.986,514 0.87,515 0.884,516 1.11,517 0.974,518 0.848,519 0.913,520 0.813,521 1.084,522 1.247,523 1.244,524 1.118,525 1.125,526 1.177,527 1.314,528 1.56,529 1.529,530 1.512,531 1.169,532 1.312,533 0.943,534 0.899,535 0.872,536 1.937,537 1.059,538 1.063,539 0.953,540 1.009,541 0.92,542 1.157,543 0.737,544 5,545 0.093,546 2.222,547 1.514,548 1.039,549 0.639,550 0.37,551 0.218,552 0.164,553 0.136,554 5308,555 16283,556 2.07,557 38.9,558 4,559 4,562 1,563 5,567 1.642,568 1.941,569 3.254,570 -0.22,571 1,572 1,574 1,575 64.211,576 1.784,577 3.946,578 4.649,579 4.816,580 4.816,581 4.816,582 2.665,583 4.369,584 4.434,585 3.411,586 788.005,587 7.599,588 8905.57,589 1,590 1,591 1,592 1,593 186.117,594 1.395,595 4.392,596 0.208,597 0.007,598 0.067,599 0.052,600 0.04,601 0.027,602 0.018,603 0.012,604 0.009,605 0.008,606 0.449,607 0.33,608 1,609 0.797,610 102.323,611 0.072,612 -0.013,613 0.061,614 0.049,615 0.061,616 0.025,617 0.145,618 -0.148,619 0.07,620 -0.096,621 0.102,622 0.003,623 -0.151,624 -0.057,625 0.007,626 0.047,627 -0.129,628 -0.04,629 -0.018,630 0.151,631 0.022,632 0.092,633 0.038,634 0.08,635 0.189,636 -0.037,637 -0.077,638 -0.111,639 0.029,640 -0.164,641 -0.143,642 -0.282,643 -0.243,644 -0.324,645 -0.125,646 -0.171,647 -0.075,648 0.027,649 -0.116,650 -0.064,651 -0.056,652 -0.175,653 0.01,654 -0.016,655 0.075,656 0.076,657 -0.054,658 0.279,659 1.871,660 4.904,661 0.636,662 16.868,663 1.015,664 1.122,665 1.929,666 3.72,667 0.705,668 3.219,669 3.526,670 3.761,671 4.007,672 4.094,673 4.143,674 4.19,675 4.159,676 4.043,677 4.078,678 5.868,679 0.676,680 314.4,681 3.219,682 4.745,683 5.58,684 6.447,685 7.299,686 8.169,687 9.027,688 9.898,689 10.76,690 11.631,691 11.1,698 1,700 1,701 2,709 2,710 2,712 1,714 6,716 11,718 1,738 36,739 13,741 24,743 38,744 15,745 8,752 3,753 4,759 1,763 3,766 3,767 1,768 9,769 5,772 1,778 1,782 1,785 1,786 1,789 14,790 6,791 1,792 7,793 1,796 1,797 4,803 0.667,804 2,816 1,822 2,823 1,826 1,838 1,855 2,856 1,857 1,859 1,862 22,869 4,871 1,873 1,877 1,882 1,884 1,886 5.6,889 1,891 1,893 11.333,894 7.017,895 4.889,896 2.213,898 2.126,899 1.316,900 0.973,901 4.353,902 8.857,903 3.512,904 4.056,905 4.586,906 5.121,907 5.465,908 5.668,909 5.869,910 5.818,911 5.792,912 5.961,913 1,914 29,915 8.101,917 3.431,918 7.909,919 15.288,921 12.429,924 2.409,925 53,929 153.024,930 107.833,931 85.452,933 34.879,935 32.22,936 75.614,937 187.903,938 85.452,939 8.825,940 26.514,941 18.952,942 82.833,943 49.921,944 8.899,945 185.244,947 153.024,948 161.066,949 34.879,950 32.22,952 153.024,953 34.879,956 69.155,957 55.529,958 36.382,959 32.22,960 153.024,961 120.331,962 107.833,965 153.024,966 63.454,967 27.778,968 34.612,969 102.321,970 153.024,971 120.331,972 107.833,973 0.577,974 0.333,975 0.182,976 0.09,977 16,978 7,979 0.105,980 4,981 1,982 1.143,983 3.517,984 165.641,985 0.143,986 14,987 98.107,989 1,993 14.93,994 6.414,995 3.448,997 120.331,998 3.549,999 8.241,1001 4.888,1003 4.392,1005 18.011,1006 381.189,1007 32.5,1013 11.904,1017 -0.204,1020 36.556,1021 40.408,1022 0.345,1023 0.763,1024 0.899,1025 0.931,1026 0.931,1027 0.931,1028 4.751,1029 1.123,1030 5.557,1031 2.897,1032 4.205,1033 4.741,1034 3.604,1035 6.33,1036 4.125,1037 5.959,1038 0.734,1039 7.091,1040 2.469,1041 3.761,1042 4.543,1043 1.593,1044 7.125,1045 3.677,1046 7.261,1047 0.47,1048 8.718,1049 1.738,1050 5.765,1051 6.893,1052 5.694,1053 10.184,1054 5.614,1055 8.595,1056 0.266,1057 10.398,1058 1.056,1059 6.133,1060 7.518,1061 3.522,1062 11.794,1063 5.971,1064 9.957,1065 -0.304,1066 12.113,1067 0.451,1068 7.588,1069 9.322,1070 7.995,1071 14.345,1072 7.369,1073 11.338,1074 -0.593,1075 13.852,1076 -0.804,1077 8.33,1078 10.325,1079 5.91,1080 16.307,1081 8.092,1082 12.734,1083 -0.714,1084 15.609,1085 -1.376,1086 9.563,1087 11.905,1088 10.369,1089 18.678,1090 9.277,1091 3.05,1092 -0.843,1093 17.378,1094 -1.935,1095 10.484,1096 13.097,1097 8.482,1098 20.801,1099 10.171,1100 2.741,1101 9.828,1102 19.159,1103 -2.006,1104 11.627,1105 14.577,1106 12.77,1107 23.105,1108 11.272,1109 2.528,1110 8.116,1111 20.947,1112 4.111,1113 12.635,1114 15.865,1115 11.074,1116 25.305,1117 12.249,1118 2.268,1119 7.781,1120 22.743,1121 3.72,1122 13.743,1123 17.3,1124 15.179,1125 27.587,1126 13.318,1127 1.791,1128 6.045,1129 24.545,1130 3.209,1131 14.794,1132 18.639,1133 13.65,1134 29.825,1135 14.336,1136 1.663,1137 5.12,1138 26.352,1139 2.822,1140 15.891,1141 20.054,1142 17.591,1143 32.101,1144 15.396,1145 1.13,1146 4.56,1147 28.163,1148 2.361,1149 16.965,1150 21.421,1151 16.206,1152 34.358,1153 16.436,1154 5127,1155 9131,1156 16.008,1157 25.387,1158 36.971,1159 41.412,1160 36.544,1161 35.456,1162 35.527,1163 46.281,1164 14.556,1165 100.122,1166 34.032,1167 5.337,1168 6.503,1169 5.896,1170 5.151,1171 5.05,1172 7.111,1173 6.685,1174 16.541,1175 4.908,1176 10.179,1177 1.54,1178 1.725,1179 1.523,1180 1.477,1181 1.48,1182 1.928,1183 0.606,1184 4.172,1185 1.418,1186 4.007,1187 4.039,1188 4.072,1189 3.938,1190 7.429,1191 3.93,1192 3.89,1193 3.918,1194 3.852,1195 3.68,1196 6.82,1197 3.714,1198 3.56,1199 3.59,1200 3.694,1201 3.488,1202 5.22,1203 3.443,1204 3.446,1205 3.487,1206 3.376,1207 3.279,1208 4.796,1209 3.284,1210 3.049,1211 3.141,1212 3.135,1213 2.869,1214 4.026,1215 2.845,1216 2.965,1217 3.039,1218 2.828,1219 2.739,1220 3.951,1221 2.758,1222 2.866,1223 2.948,1224 2.737,1225 2.698,1226 3.794,1227 2.688,1228 2.667,1229 2.738,1230 2.64,1231 2.49,1232 3.761,1233 2.441,1234 0.185,1235 0.188,1236 0.265,1237 0.167,1238 0.127,1239 4.429,1240 0.171,1241 4.503,1242 0.14,1243 6.361,1244 0.409,1245 4.013,1246 0.123,1247 3.05,1248 4.111,1249 3.359,1250 9.828,1251 2.945,1252 1.856,1253 1.836,1254 1.904,1255 1.941,1256 1.179,1257 1.941,1258 1.597,1259 1.559,1260 1.827,1261 1.786,1262 1.096,1263 1.776,1264 1.556,1265 1.489,1266 1.773,1267 1.728,1268 0.874,1269 1.765,1270 1.44,1271 1.406,1272 1.605,1273 1.7,1274 0.812,1275 1.678,1276 1.202,1277 1.163,1278 1.343,1279 1.396,1280 0.473,1281 1.39,1282 1.119,1283 1.07,1284 1.304,1285 1.337,1286 0.404,1287 1.321,1288 0.677,1289 0.638,1290 0.915,1291 1.023,1293 1.002,1294 0.599,1295 0.523,1296 0.826,1297 0.913,1299 0.901,1300 3.892,1302 5.198,1303 3.045,1304 6.676,1305 5.283,1306 8.238,1307 7.248,1308 9.851,1310 1.755,1315 3.173,1317 2.647,1319 1.268,1324 9.227,1325 2.16,1326 24.336,1327 64.211,1328 142.064,1329 167.362,1330 173.362,1331 173.362,1332 173.362,1333 37.14,1334 6.731,1335 91.81,1336 117.11,1337 16,1338 12.175,1339 3.807,1340 3.248,1341 34.629,1342 78,1343 74,1344 0.217,1345 155.357,1346 268.15,1347 370.831,1348 7124,1350 15.527,1351 0.706,1352 0.585,1353 15.88,1354 12.866,1355 10.652,1356 0.444,1357 0.33,1358 6.937,1359 9.767,1360 6.663,1361 5.513,1362 11.106,1363 7.929,1364 9.553,1365 0.289,1366 0.183,1367 10.104,1368 6.036,1369 7.788,1370 0.185,1371 0.104,1372 8.553,1373 4.363,1374 6.475,1375 0.12,1376 0.058,1377 7.198,1378 3.156,1379 4.609,1380 0.078,1381 0.034,1382 5.351,1383 1.987,1384 0.343,1385 71.564,1386 0.25,1387 21.941,1388 0.585,1389 114,1390 381.6,1391 149.174,1392 389.208,1393 522.46,1394 362,1395 132,1396 370.195,1397 164.742,1398 382.687,1399 550.21,1400 358,1401 6.081}
{0 CHEMBL1534209,1 1.931,2 7.313,3 1.58,4 2.495,5 51.687,6 9.877,7 0.375,8 3.268,9 3.345,10 3.002,11 2.745,12 4.776,13 2.813,14 3.659,15 3.747,16 3.341,17 2.993,18 5.432,19 3.067,20 3.91,21 4.066,22 3.303,23 2.982,24 5.55,25 3.062,26 3.794,27 3.969,28 3.154,29 2.783,30 5.41,31 2.88,32 3.638,33 3.766,34 3.224,35 2.634,36 5.875,37 2.751,38 3.423,39 3.562,40 2.806,41 2.497,42 5.271,43 2.565,44 3.237,45 3.4,46 2.601,47 2.3,48 4.845,49 2.373,50 3.135,51 3.253,52 2.633,53 1.958,54 5.307,55 2.132,56 0.259,57 0.447,58 2.233,59 2.029,60 45.824,61 1.598,62 0.438,63 0.656,64 3.418,65 3.018,66 73.954,67 2.665,68 0.754,69 0.762,70 8.303,71 3.508,72 132.215,73 2.891,74 0.717,75 0.641,76 8.639,77 3.079,78 130.815,79 2.669,80 0.779,81 0.593,82 6.895,83 2.6,84 149.548,85 2.457,86 0.525,87 0.393,88 5.415,89 2.255,90 101.565,91 1.88,92 0.391,93 0.341,94 4.778,95 2.017,96 73.487,97 1.862,98 0.498,99 0.243,100 4.362,101 1.512,102 96.477,103 1.2,104 31,105 21,106 0.398,107 0.713,108 0.835,109 0.913,110 0.931,111 0.931,112 2.85,113 0.78,114 -3.31,115 -3.29,116 -3.15,120 43.5,136 2,143 3,145 3,159 2,168 1,172 1,174 2,175 1,177 2,180 2,182 3,185 1,186 1,189 2,194 3,197 1,201 1,202 1,206 1,207 1,209 1,213 1,214 1,217 2,218 1,222 2,227 1,235 2,236 1,240 1,245 1,247 1,248 1,252 1,257 1,261 1,264 1,269 1,274 272,275 10.069,276 10.069,277 10.069,278 10.069,279 10.069,280 8.772,281 11.381,282 6.064,283 10.214,284 7.877,285 7.877,286 7.877,287 7.877,288 7.877,289 5.881,290 12.169,291 2.918,292 8.149,293 2.592,294 1.059,295 0.468,296 0.087,299 3.468,306 1,307 1,308 227,309 3.24,313 58.16,320 1.188,321 38.043,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38.5,333 117,334 4.251,335 3.524,336 6.092,337 3.838,338 2.884,339 3.891,340 1.437,341 8.863,342 2.742,343 3.802,344 3.441,345 5.061,346 3.383,347 2.378,348 3.108,349 1.058,350 6.154,351 2.371,352 3.501,353 3.144,354 4.904,355 3.101,356 2.127,357 2.77,359 5.597,360 2.066,361 3.382,362 2.73,363 4.583,364 2.951,365 2,366 2.584,368 4.956,369 1.851,370 2.829,371 1.816,372 4.122,373 2.382,374 1.408,375 1.944,377 3.669,378 1.36,379 2.297,380 1.098,381 3.023,382 1.534,383 0.536,384 0.826,386 1.192,387 0.526,388 1.523,389 0.864,390 2.472,391 1.121,392 0.206,393 0.26,395 0.443,396 0.181,397 1,398 0.505,399 2.365,400 0.599,401 -0.343,402 -0.427,404 -0.872,405 -0.315,406 0.566,407 0.361,408 2,409 0.108,410 -1,411 -1.069,413 -2,414 -0.802,415 0.474,416 -0.124,417 1.537,418 0.01,419 -1,420 -1.197,422 -2.313,423 -0.918,424 0.21,425 -0.514,426 1.327,427 -0.071,428 -1,429 -1.43,431 -2.499,432 -1.005,433 0.095,434 -0.876,435 1.173,436 -0.191,437 -1,438 -1.551,440 -3.02,441 -1.105,442 -0.246,443 -1.245,444 1,445 -0.656,446 -1.551,447 -2.029,449 -3.9,450 -1.398,451 -0.397,452 -1.471,453 1,454 -0.723,455 -1.711,456 -2.218,458 -4.408,459 -1.685,460 -0.5,461 -1.773,462 0.677,463 -0.985,464 -1.934,465 -2.465,466 -1.058,467 -5.631,468 -1.87,469 6.971,470 0.436,471 0.514,472 0.032,473 20.75,474 1.297,475 11,476 0.688,477 9.75,478 0.609,479 8.319,480 0.52,481 18.229,482 0.793,483 15.442,484 0.965,485 4.726,486 0.295,487 2.76,488 0.173,489 0.225,491 0.359,494 2,496 0.717,497 0.903,498 0.618,499 0.947,500 0.689,501 0.804,502 0.629,503 1.171,504 0.665,505 1.284,506 0.601,507 1.15,508 1.185,509 1.106,510 1.199,511 1.032,512 1.169,513 1.08,514 1.267,515 1.079,516 1.186,517 0.963,518 1.284,519 0.965,520 0.631,521 0.765,522 0.729,523 0.815,524 0.691,525 0.847,526 1.066,527 0.903,528 1.135,529 0.946,530 1.074,531 1.038,532 1.155,533 1.1,534 1.054,535 1.168,536 1.151,537 1.085,538 1.141,539 1.063,540 1.034,541 1.074,542 1.145,543 1.015,544 4.5,546 1.778,547 0.938,548 1.013,549 0.285,550 0.223,551 0.168,552 0.103,553 0.031,554 1750,555 9902,556 1.828,557 30.4,559 5,562 2,567 1.549,568 1.655,569 2.901,570 0.573,574 1,575 44.416,576 1.931,577 3.464,578 4.056,579 4.437,580 4.524,581 4.524,582 2.281,583 2.953,584 3.971,585 3.044,586 365.295,587 6.677,588 3258.51,590 1,593 104.042,594 1.579,595 3.882,596 0.281,598 0.085,599 0.049,600 0.063,601 0.018,602 0.02,603 0.019,604 0.013,605 0.008,606 0.556,607 0.67,608 1,609 2.024,610 65.451,611 -0.112,612 -0.026,613 -0.055,614 0.066,615 -0.111,616 0.069,617 0.072,618 -0.255,619 0.001,620 -0.292,621 0.09,622 -0.263,623 -0.261,624 -0.107,625 -0.259,626 -0.091,627 -0.248,628 -0.136,629 -0.27,630 -0.046,631 -0.145,632 -0.027,633 -0.295,634 0.015,635 0.453,636 0.226,637 0.29,638 0.118,639 0.429,640 0.074,641 -0.108,642 -0.028,643 -0.152,644 0.015,645 -0.085,646 -0.053,647 -0.204,648 -0.156,649 -0.009,650 -0.175,651 -0.209,652 -0.025,653 0.124,654 -0.071,655 0.088,656 -0.147,657 0.114,658 -0.101,659 2.977,660 5.007,661 0.375,662 10,663 1.071,664 1.151,665 2.076,666 4.308,667 0.665,668 2.833,669 3.091,670 3.135,671 3.258,672 3.434,673 3.135,674 2.944,675 2.944,676 2.639,677 2.197,678 4.655,679 0.697,680 227.18,681 2.833,682 4.317,683 5.081,684 5.911,685 6.706,686 7.534,687 8.343,688 9.172,689 9.988,690 10.817,691 4.3,698 1,709 3,714 3,716 6,737 2,738 23,739 9,740 1,741 16,743 23,744 10,745 6,746 3,747 3,748 4,752 1,753 1,768 10,772 3,778 2,780 2,782 2,786 1,787 2,789 7,790 6,791 2,792 6,797 1,803 1,804 3,823 1,838 1,840 1,845 2,853 1,855 1,861 2,862 16,868 1,871 1,885 2,886 13,888 1,889 2,893 9.667,894 3.986,895 3.611,896 1.114,898 1.655,899 1.307,900 0.887,901 4.003,902 7.044,903 3.135,904 3.651,905 4.03,906 4.417,907 4.918,908 4.725,909 4.675,910 4.967,911 4.931,912 4.766,913 0.8,914 19,915 5.91,916 0.001,917 2.543,918 9.052,919 9.912,921 7.316,924 3.552,925 56.833,929 58.856,930 73.995,931 18.011,933 92.973,934 29.92,936 73.995,937 151.829,938 47.931,940 18.011,941 47.381,942 98.588,943 20.999,944 29.92,945 58.856,947 58.856,948 92.005,949 122.893,952 88.776,953 92.973,956 18.011,957 55.042,958 18.952,960 88.776,961 110.984,962 73.995,965 58.856,966 26.613,967 47.381,968 18.011,969 122.893,970 58.856,971 140.904,972 73.995,973 0.574,974 0.291,975 0.138,976 0.089,977 8,978 5,979 0.13,980 3,982 1,983 2.762,984 93.84,986 6,987 64,993 12.175,994 5.26,995 4.025,997 140.904,998 2.547,1003 -1.863,1005 60.694,1006 273.754,1007 22,1013 21.106,1015 1.291,1017 -2.165,1020 24.644,1021 26.467,1022 0.427,1023 0.766,1024 0.897,1025 0.981,1026 1,1027 1,1028 4.324,1029 -0.343,1030 5.069,1031 0.443,1032 3.761,1033 4.331,1034 1.997,1035 5.765,1036 3.691,1037 5.534,1038 -1,1039 6.572,1040 -0.872,1041 3.434,1042 4.182,1044 6.475,1045 3.297,1046 6.82,1047 -1,1048 8.167,1049 -2,1050 5.252,1051 6.42,1052 2.487,1053 9.446,1054 5.114,1055 8.133,1056 -1,1057 9.81,1058 -2.313,1059 5.602,1060 6.956,1062 10.908,1063 5.383,1064 9.468,1065 -1,1066 11.485,1067 -2.499,1068 6.986,1069 8.756,1070 3.063,1071 13.443,1072 6.767,1073 10.817,1074 -1.551,1075 13.182,1076 -3.02,1077 7.663,1078 9.633,1080 15.272,1081 7.359,1082 12.18,1083 -1.711,1084 14.897,1085 -3.9,1086 8.863,1087 11.236,1088 3.7,1089 17.621,1090 8.55,1091 2.884,1092 -1.934,1093 16.627,1094 -4.408,1095 9.717,1096 12.31,1098 19.634,1099 9.32,1100 2.378,1101 8.863,1102 18.369,1103 -5.631,1104 10.832,1105 13.808,1106 4.375,1107 21.896,1108 10.414,1109 2.127,1110 6.154,1111 20.123,1112 3.891,1113 11.781,1114 14.998,1116 23.998,1117 11.285,1118 2,1119 5.597,1120 21.885,1121 3.108,1122 12.859,1123 16.438,1124 5.073,1125 26.218,1126 12.33,1127 1.408,1128 4.956,1129 23.656,1130 2.77,1131 13.859,1132 17.697,1134 28.363,1135 13.259,1136 0.536,1137 3.669,1138 25.432,1139 2.584,1140 14.922,1141 19.103,1142 5.783,1143 30.563,1144 14.28,1145 0.206,1146 1.192,1147 27.215,1148 1.944,1149 15.949,1150 20.403,1152 32.727,1153 15.241,1154 1936,1155 4666,1156 9.652,1157 15.29,1158 23.918,1159 24.939,1160 24.068,1161 23.145,1162 23.078,1163 30.769,1164 4.99,1165 61.744,1166 22.195,1167 5.038,1168 5.524,1169 5.426,1170 4.838,1171 4.884,1172 6.891,1173 2.873,1174 15.091,1175 4.742,1176 10.39,1177 1.495,1178 1.559,1179 1.504,1180 1.447,1181 1.442,1182 1.923,1183 0.312,1184 3.859,1185 1.387,1186 3.934,1187 3.962,1188 3.901,1189 3.829,1190 8.206,1191 3.84,1192 3.678,1193 3.69,1194 3.626,1195 3.521,1196 8.196,1197 3.541,1198 3.273,1199 3.283,1200 3.234,1201 2.958,1202 7.477,1203 3.019,1204 2.951,1205 2.991,1206 2.952,1207 2.73,1208 7.429,1209 2.756,1210 2.854,1211 2.899,1212 2.728,1213 2.646,1214 6.351,1215 2.675,1216 2.533,1217 2.58,1218 2.396,1219 2.161,1220 4.529,1221 2.219,1222 2.054,1223 2.148,1224 1.944,1225 1.493,1226 4.146,1227 1.545,1228 1.986,1229 2.024,1230 1.792,1231 1.323,1232 3.821,1233 1.414,1234 0.266,1235 0.22,1236 0.381,1237 0.24,1238 0.18,1239 4.251,1240 0.243,1241 3.524,1242 0.09,1243 6.092,1244 0.554,1245 3.838,1246 0.171,1247 2.884,1248 3.891,1249 1.437,1250 8.863,1251 2.742,1252 1.873,1253 1.848,1254 1.953,1255 2,1256 1.031,1257 1.984,1258 1.601,1259 1.584,1260 1.726,1261 1.785,1262 0.695,1263 1.76,1264 1.085,1265 1.063,1266 1.243,1267 1.433,1268 0.239,1269 1.361,1270 0.839,1271 0.792,1272 1.054,1273 1.076,1274 0.027,1275 1.066,1276 0.752,1277 0.734,1278 0.904,1279 1.056,1281 1.012,1282 0.376,1283 0.329,1284 0.698,1285 0.78,1287 0.753,1290 0.449,1291 0.435,1293 0.42,1296 0.178,1297 0.325,1299 0.261,1300 3.497,1302 4.762,1304 6.192,1306 7.706,1308 9.268,1312 25.689,1314 8.226,1317 2.002,1326 16.04,1327 44.416,1328 79.677,1329 93.287,1330 102.042,1331 104.042,1332 104.042,1333 55.272,1334 5.389,1335 66.4,1336 66.4,1337 6,1338 11.394,1339 3.322,1340 2.807,1341 34.615,1342 44,1343 40,1344 0.399,1345 102.915,1346 191.97,1347 242.874,1348 1074,1349 8.7,1350 12.129,1351 0.758,1352 0.494,1353 10.389,1354 7.906,1355 7.486,1356 0.468,1357 0.26,1358 4.048,1359 6.974,1360 4.022,1361 3.325,1362 6.682,1363 4.159,1364 6.968,1365 0.332,1366 0.133,1367 5.816,1368 2.785,1369 4.567,1370 0.208,1371 0.071,1372 3.697,1373 1.564,1374 3.231,1375 0.129,1376 0.037,1377 2.728,1378 0.915,1379 2.85,1380 0.095,1381 0.019,1382 2.189,1383 0.557,1384 0.616,1385 48.789,1386 0.322,1387 16.388,1388 1.109,1389 74,1390 446.176,1391 90.358,1392 369.711,1393 453.35,1394 336,1395 80,1396 293.223,1397 92.816,1398 280.905,1399 400.36,1400 262,1401 4.445}
{0 CHEMBL1534546,1 1.758,2 11.391,3 3.352,4 11.236,5 95.519,6 9.196,7 0.25,8 3.732,9 3.808,10 3.51,11 3.353,12 4.976,13 3.306,14 4.209,15 4.325,16 3.965,17 3.706,18 5.529,19 3.626,20 4.41,21 4.563,22 3.901,23 3.778,24 5.637,25 3.683,26 4.411,27 4.571,28 3.82,29 3.765,30 5.655,31 3.626,32 4.285,33 4.434,34 3.788,35 3.736,36 5.531,37 3.595,38 4.251,39 4.381,40 3.907,41 3.585,42 5.891,43 3.505,44 4.058,45 4.238,46 3.358,47 3.385,48 5.226,49 3.235,50 3.907,51 4.097,52 3.178,53 3.196,54 5.081,55 3.057,56 0.092,57 0.485,58 5.619,59 3.646,60 15.828,61 3.788,62 0.337,63 0.819,64 15.361,65 6.357,66 41.291,67 6.328,68 0.402,69 0.937,70 19.114,71 8.086,72 58.384,73 8.056,74 0.527,75 0.958,76 23.431,77 8.834,78 71.578,79 8.496,80 0.249,81 0.885,82 22.486,83 8.619,84 38.872,85 8.462,86 0.489,87 0.811,88 19.442,89 7.268,90 90.997,91 6.746,92 0.244,93 0.686,94 17.218,95 6.406,96 36.766,97 6.59,98 0.308,99 0.557,100 13.326,101 5.236,102 37.233,103 5.895,104 38,105 32,106 0.317,107 0.71,108 0.85,109 0.869,110 0.869,111 0.869,112 3.187,113 1.005,114 -3.29,115 -3.28,116 -3.14,120 42.1,122 1,126 2,135 1,136 2,139 1,143 4,144 1,145 1,159 2,160 1,168 1,172 1,174 6,175 1,176 1,177 6,180 1,182 1,185 7,189 6,190 1,197 5,200 1,201 4,204 1,209 5,214 5,215 1,222 7,223 1,226 1,227 5,230 1,232 1,235 4,236 1,240 2,245 1,247 4,248 1,251 2,252 1,257 1,260 3,261 2,264 2,269 2,271 1,272 2,274 779,275 15.215,276 15.215,277 15.215,278 15.215,279 15.215,280 13.75,281 15.404,282 9.228,283 15.714,284 11.794,285 11.794,286 11.794,287 11.794,288 11.794,289 9.387,290 14.071,291 4.362,292 12.637,293 3.49,294 1.303,295 0.526,296 0.421,297 0.421,298 0.421,299 3.847,305 1,306 1,307 1,308 530,309 3.464,312 72.822,313 83.133,320 1.834,321 31.1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 50.5,333 262,334 4.403,335 4.908,336 6.648,337 4.062,338 3.148,339 3.815,340 4.506,341 10.558,342 2.893,343 4.036,344 3.688,345 5.605,346 3.624,347 2.655,348 3.549,349 2.341,350 7.589,351 2.572,352 3.63,353 3.599,354 5.372,355 3.26,356 2.302,357 2.895,358 1.192,359 6.819,360 2.21,361 3.526,362 3.295,363 5.056,364 3.159,365 2.181,366 2.699,367 1.151,368 5.833,369 2.091,370 3.308,371 2.914,372 4.696,373 2.821,374 1.898,375 2.472,376 0.553,377 5.137,378 1.719,379 2.943,380 2.378,381 4.571,382 2.445,383 1.59,384 1.942,386 4.478,387 1.362,388 2.798,389 1.961,390 3.467,391 2.363,392 1.412,393 1.744,395 2.659,396 1.285,397 2.5,398 1.891,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.186,407 1.679,408 3.318,409 1.765,410 0.775,411 0.964,413 1.796,414 0.751,415 1.788,416 1,417 2.888,418 1.321,419 0.399,420 0.504,422 0.74,423 0.363,424 1.332,425 0.983,426 2.459,427 0.979,428 0.018,429 0.023,431 0.039,432 0.017,433 1.24,434 0.782,435 2.315,436 0.715,437 -0.232,438 -0.302,440 -0.5,441 -0.207,442 0.892,443 0.392,444 2.131,445 0.285,446 -0.59,447 -0.812,449 -1.329,450 -0.505,451 0.5,452 0.309,453 2,454 0.017,455 -1,456 -1.211,458 -2,459 -0.885,460 0.468,461 -0.17,462 1.709,464 -1,465 -1.263,467 -2.141,468 -0.949,469 11.4,470 0.496,471 0.579,472 0.025,473 27,474 1.174,475 13,476 0.565,477 14,478 0.609,479 18.143,480 0.789,481 24.6,482 0.647,483 20.194,484 0.878,485 5.606,486 0.244,487 5.401,488 0.235,489 0.205,491 0.298,496 0.781,497 1.081,498 0.639,499 0.812,500 0.697,501 0.845,502 0.713,503 1.058,504 0.632,505 0.822,506 0.508,507 0.888,508 1.13,509 0.914,510 0.86,511 0.851,512 1.023,513 0.908,514 1.103,515 0.869,516 1.178,517 0.985,518 1.11,519 1.004,520 0.781,521 1.147,522 1.349,523 1.297,524 0.89,525 1.081,526 0.857,527 1.133,528 0.96,529 1.191,530 0.886,531 1.004,532 0.801,533 1.134,534 1.199,535 1.23,536 0.889,537 1.187,538 0.583,539 0.91,540 0.894,541 0.947,542 0.697,543 1.03,544 5,545 0.098,546 2.444,547 1.764,548 0.952,549 0.868,550 0.546,551 0.195,552 0.208,553 0.15,554 5483,555 20791,556 1.946,557 39.5,559 12,562 1,563 2,567 1.654,568 1.792,569 3.437,570 -0.241,571 1,572 1,574 1,575 66.818,576 1.758,577 3.945,578 4.722,579 4.827,580 4.827,581 4.827,582 2.947,583 4.176,584 4.485,585 3.601,586 911.115,587 7.71,588 10717.6,589 1,590 1,591 1,592 1,593 199.421,594 1.51,595 4.433,596 0.208,597 0.008,598 0.076,599 0.057,600 0.035,601 0.031,602 0.02,603 0.011,604 0.014,605 0.01,606 0.471,607 0.33,608 1,609 1.594,610 109.678,611 -0.076,612 -0.089,613 0.022,614 0.016,615 -0.097,616 0.007,617 0.131,618 -0.029,619 0.196,620 0.076,621 0.133,622 0.003,623 -0.149,624 0.049,625 0.028,626 0.071,627 -0.125,628 0.038,629 -0.107,630 0.128,631 -0.117,632 0.055,633 -0.133,634 -0.021,635 -0.054,636 -0.119,637 -0.158,638 -0.139,639 -0.05,640 -0.053,641 0.239,642 -0.121,643 0.123,644 -0.14,645 0.359,646 -0.052,647 -0.051,648 -0.145,649 -0.148,650 -0.196,651 -0.096,652 -0.166,653 0.242,654 0.012,655 0.025,656 -0.013,657 0.041,658 -0.01,659 2.627,660 5.262,661 0.478,662 23.928,663 1.02,664 1.107,665 2.06,666 4.246,667 0.722,668 3.219,669 3.497,670 3.689,671 3.892,672 4.043,673 4.043,674 4.078,675 4.159,676 4.174,677 4.143,678 6.445,679 0.683,680 349.46,681 3.219,682 4.727,683 5.541,684 6.395,685 7.238,686 8.101,687 8.957,688 9.826,689 10.69,690 11.563,691 2.6,698 1,709 4,714 2,716 6,735 1,738 38,739 11,740 1,741 24,743 39,744 16,745 6,746 2,747 4,748 3,752 2,753 2,766 1,768 13,769 3,772 5,773 1,778 2,779 1,780 2,782 4,785 1,786 1,789 15,790 5,791 1,792 7,793 2,797 1,800 1,803 1,804 4,822 1,823 1,840 1,843 1,845 3,852 1,853 1,855 2,857 2,862 23,868 1,869 3,872 1,873 1,875 1,886 10.5,888 1,889 2,891 1,893 12.833,894 6.733,895 5.25,896 2.076,898 1.964,899 1.3,900 0.916,901 6.39,902 8.513,903 3.497,904 3.961,905 4.373,906 4.815,907 5.28,908 5.467,909 5.771,910 6.122,911 6.378,912 6.46,913 0.875,914 31,915 8.477,917 3.526,918 8.13,919 15.584,921 12.145,924 2.63,925 60.5,929 164.795,930 174.863,931 3.124,933 103.973,935 77.412,936 97.451,937 268.769,938 3.124,940 28.124,941 56.857,942 100.138,943 19.429,945 197.015,946 45.192,947 164.795,948 100.576,949 103.973,950 77.412,952 164.795,953 103.973,956 12.357,957 67.715,958 20.503,959 77.412,960 164.795,961 107.097,962 174.863,965 164.795,966 57.046,967 59.982,969 164.932,970 164.795,971 107.097,972 174.863,973 0.567,974 0.312,975 0.161,976 0.092,977 13,978 7,979 0.179,980 7,982 1,983 3.527,984 166.879,986 11,987 100.042,989 1,990 1,993 17.726,994 8.291,995 4.926,997 107.097,998 7.283,1003 1.561,1005 42.683,1006 446.756,1007 32,1008 3.582,1013 22.89,1014 5.136,1015 3.397,1017 -0.347,1020 38.749,1021 42.082,1022 0.335,1023 0.752,1024 0.9,1025 0.92,1026 0.92,1027 0.92,1028 4.714,1029 1,1030 5.517,1031 2.659,1032 4.174,1033 4.644,1034 3.982,1035 6.282,1036 4.048,1037 5.892,1038 0.775,1039 7.054,1040 2.275,1041 3.761,1042 4.407,1043 3.389,1044 7.12,1045 3.563,1046 7.175,1047 0.399,1048 8.69,1049 1.796,1050 5.72,1051 6.663,1052 6.621,1053 10.192,1054 5.473,1055 8.489,1056 0.018,1057 10.386,1058 0.74,1059 6.111,1060 7.183,1061 6.566,1062 11.889,1063 5.774,1064 9.834,1065 -0.232,1066 12.121,1067 0.039,1068 7.563,1069 8.959,1070 9.515,1071 14.494,1072 7.181,1073 11.2,1074 -0.59,1075 13.885,1076 -0.5,1077 8.34,1078 9.831,1079 9.767,1080 16.57,1081 7.853,1082 12.583,1083 -1,1084 15.672,1085 -1.329,1086 9.589,1087 11.403,1088 12.455,1089 19.014,1090 9.051,1091 3.148,1092 -1,1093 17.476,1094 -2,1095 10.556,1096 12.46,1097 12.937,1098 21.253,1099 9.907,1100 2.655,1101 10.558,1102 19.296,1103 -2.141,1104 11.727,1105 13.93,1106 15.409,1107 23.641,1108 11.015,1109 2.302,1110 7.589,1111 21.129,1112 3.815,1113 12.784,1114 15.091,1115 16.071,1116 25.948,1117 11.964,1118 2.181,1119 6.819,1120 22.972,1121 3.549,1122 13.928,1123 16.503,1124 18.371,1125 28.316,1126 13.034,1127 1.898,1128 5.833,1129 24.824,1130 2.895,1131 15.028,1132 17.727,1133 19.177,1134 30.651,1135 14.031,1136 1.59,1137 5.137,1138 26.683,1139 2.699,1140 16.165,1141 19.105,1142 21.339,1143 33.012,1144 15.087,1145 1.412,1146 4.478,1147 28.549,1148 2.472,1149 17.286,1150 20.368,1151 22.261,1152 35.359,1153 16.109,1154 5664,1155 11173,1156 15.315,1157 27.449,1158 35.568,1159 39.518,1160 36.737,1161 34.88,1162 34.756,1163 44.212,1164 19.485,1165 95.845,1166 32.528,1167 5.341,1168 6.908,1169 6.511,1170 5.184,1171 5.148,1172 6.815,1173 8.641,1174 17.514,1175 4.893,1176 13.827,1177 1.482,1178 1.647,1179 1.531,1180 1.453,1181 1.448,1182 1.842,1183 0.812,1184 3.994,1185 1.355,1186 3.96,1187 3.977,1188 4.213,1189 3.912,1190 7.474,1191 3.894,1192 3.778,1193 3.803,1194 3.846,1195 3.704,1196 7.428,1197 3.66,1198 3.578,1199 3.621,1200 3.52,1201 3.432,1202 6.351,1203 3.426,1204 3.509,1205 3.524,1206 3.453,1207 3.368,1208 4.896,1209 3.359,1210 3.126,1211 3.15,1212 3.352,1213 3.076,1214 4.755,1215 3.005,1216 2.889,1217 2.928,1218 3.029,1219 2.735,1220 4.674,1221 2.715,1222 2.854,1223 2.925,1224 2.835,1225 2.729,1226 4.279,1227 2.698,1228 2.813,1229 2.809,1230 2.687,1231 2.615,1232 3.911,1233 2.635,1234 0.183,1235 0.205,1236 0.277,1237 0.169,1238 0.131,1239 4.403,1240 0.159,1241 4.908,1242 0.188,1243 6.648,1244 0.44,1245 4.062,1246 0.121,1247 3.148,1248 3.815,1249 4.506,1250 10.558,1251 2.893,1252 1.913,1253 1.894,1254 2.011,1255 1.997,1256 1.116,1257 2.002,1258 1.631,1259 1.589,1260 1.823,1261 1.853,1262 1.093,1263 1.843,1264 1.565,1265 1.519,1266 1.798,1267 1.735,1268 0.821,1269 1.758,1270 1.404,1271 1.399,1272 1.471,1273 1.555,1274 0.616,1275 1.528,1276 1.183,1277 1.199,1278 1.207,1279 1.348,1280 0.321,1281 1.35,1282 0.886,1283 0.84,1284 1.181,1285 1.124,1286 0.218,1287 1.142,1288 0.861,1289 0.821,1290 1.162,1291 1.062,1292 0.117,1293 1.107,1294 0.706,1295 0.676,1296 0.879,1297 0.994,1299 0.996,1300 3.892,1302 5.176,1303 2.398,1304 6.637,1305 4.844,1306 8.182,1307 6.986,1308 9.776,1314 8.714,1315 0.391,1318 5.394,1319 1.178,1321 1.321,1326 25.942,1327 66.818,1328 149.911,1329 179.421,1330 183.421,1331 183.421,1332 183.421,1333 55.611,1334 6.548,1335 68.53,1336 128.86,1337 11,1338 12.106,1339 3.585,1340 3.17,1341 45.53,1342 87,1343 103,1344 0.259,1345 171.083,1346 311.8,1347 409.203,1348 5249,1350 16.82,1351 0.731,1352 0.603,1353 17.673,1354 13.861,1355 11.007,1356 0.459,1357 0.335,1358 6.825,1359 9.947,1360 6.576,1361 5.442,1362 11.704,1363 8.044,1364 9.732,1365 0.304,1366 0.198,1367 10.907,1368 6.322,1369 7.47,1370 0.192,1371 0.111,1372 8.619,1373 4.346,1374 5.796,1375 0.121,1376 0.066,1377 7.111,1378 3.176,1379 4.515,1380 0.081,1381 0.037,1382 5.594,1383 2.071,1384 0.411,1385 76.19,1386 0.256,1387 23.006,1388 0.69,1389 112,1390 408.722,1391 170.06,1392 429.38,1393 556.32,1394 396,1395 127,1396 355.393,1397 170.871,1398 380.792,1399 554.39,1400 356,1401 5.245}
{0 CHEMBL1535169,1 1.736,2 9.333,3 4.046,4 16.368,5 109.799,6 9.622,7 0.567,8 3.839,9 3.902,10 3.813,11 3.583,12 5.002,13 3.52,14 4.32,15 4.403,16 4.154,17 3.955,18 5.771,19 3.878,20 4.534,21 4.676,22 4.186,23 3.992,24 5.814,25 3.916,26 4.543,27 4.688,28 4.079,29 3.906,30 5.935,31 3.864,32 4.494,33 4.627,34 4.082,35 3.906,36 5.894,37 3.85,38 4.485,39 4.601,40 4.128,41 3.959,42 5.875,43 3.889,44 4.528,45 4.656,46 4.071,47 3.962,48 6.033,49 3.875,50 4.422,51 4.577,52 3.869,53 3.872,54 5.643,55 3.74,56 0.092,57 0.539,58 7.013,59 3.835,60 15.548,61 3.615,62 0.271,63 0.863,64 12.72,65 6.476,66 46.983,67 6.255,68 0.292,69 1.154,70 20.433,71 8.711,72 27.97,73 8.566,74 0.358,75 1.133,76 19.677,77 8.404,78 53.969,79 7.803,80 0.436,81 1.071,82 17.066,83 7.559,84 69.168,85 6.528,86 0.391,87 1.042,88 19.659,89 8.427,90 54.922,91 7.485,92 0.54,93 1.061,94 18.559,95 8.422,96 109.622,97 7.829,98 0.257,99 0.996,100 20.728,101 8.718,102 31.705,103 8.596,104 10,105 43,106 0.297,107 0.54,108 0.684,109 0.818,110 0.866,111 0.875,112 3.341,113 1.043,114 -4.14,115 -4.08,116 -3.86,120 48.8,136 1,139 1,143 11,144 2,145 1,152 1,154 1,158 2,174 11,176 3,177 3,182 3,185 13,189 11,192 1,194 3,197 7,201 11,204 1,206 3,209 4,213 1,214 8,219 2,222 9,227 8,230 2,232 1,235 13,239 2,240 5,245 2,247 15,252 7,257 1,260 12,264 5,271 9,274 1113,275 18.231,276 18.231,277 18.231,278 18.231,279 18.231,280 15.486,281 14.096,282 10.798,283 18.638,284 14.838,285 14.838,286 14.838,287 14.838,288 14.838,289 10.63,290 18.825,291 5.149,292 15.523,293 3.622,294 2.199,295 1.358,296 0.576,297 0.293,298 0.244,299 4.035,306 1,307 1,308 549,309 3.391,312 69.456,313 213.524,317 115.874,320 1.383,321 37.219,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 58,333 252,334 4.89,335 4.691,336 7.314,337 4.33,338 3.412,339 4.767,340 0.4,341 12.549,342 3.235,343 4.536,344 3.656,345 6.777,346 4.154,347 3.172,348 4.147,350 11.07,351 2.995,352 3.962,353 2.923,354 5.93,355 3.571,356 2.6,357 3.483,359 8.216,360 2.524,361 3.721,362 2.693,363 5.491,364 3.307,365 2.309,366 3.13,368 7.091,369 2.299,370 3.638,371 2.248,372 5.202,373 3.105,374 2.138,375 3.092,377 6.317,378 2.067,379 3.474,380 2.007,381 4.883,382 2.895,383 1.958,384 2.785,386 5.304,387 1.807,388 2.969,389 1.8,390 4.013,391 2.503,392 1.51,393 2.146,395 3.323,396 1.497,397 2.843,398 1.41,399 3.696,400 2.358,401 1.363,402 1.979,404 2.976,405 1.355,406 2.567,407 1.332,408 3.593,409 2.041,410 1.054,411 1.551,413 2.691,414 1.037,415 2.5,416 1.231,417 3.512,418 2,419 1,420 1.5,422 2.136,423 1,424 2.384,425 1,426 3.349,427 1.808,428 0.871,429 1.282,431 2.072,432 0.797,433 2.298,434 0.993,435 3.247,436 1.626,437 0.618,438 0.934,440 1.547,441 0.609,442 2.118,443 0.618,444 3,445 1.461,446 0.601,447 0.927,449 1.372,450 0.506,451 1.337,452 0.184,453 2.95,454 0.902,455 -0.058,456 -0.078,458 -0.163,459 -0.056,460 1.014,461 -0.028,462 2.676,463 0.558,464 -0.456,465 -0.622,467 -1.185,468 -0.46,469 13.467,470 0.499,471 0.714,472 0.026,473 40.5,474 1.5,475 24,476 0.889,477 16.5,478 0.611,479 18.172,480 0.673,481 26.733,482 0.652,483 31.136,484 1.153,485 7.886,486 0.292,487 5.157,488 0.191,489 0.074,490 0.062,491 0.26,496 0.459,497 1.01,498 0.748,499 0.981,500 0.624,501 0.765,502 0.532,503 1.08,504 0.721,505 0.884,506 0.545,507 0.937,508 0.792,509 1.213,510 0.949,511 1.127,512 0.751,513 0.987,514 1.392,515 1.078,516 0.924,517 0.928,518 1.314,519 0.884,520 1.567,521 0.876,522 0.933,523 0.788,524 1.548,525 0.828,526 1.225,527 0.973,528 1.11,529 1.047,530 1.296,531 0.926,532 1.211,533 0.912,534 1.009,535 0.905,536 1.211,537 0.972,538 0.87,539 1.106,540 1.259,541 1.245,542 0.81,543 1.199,544 5.5,545 0.036,546 3.333,547 2.153,548 1.864,549 1.038,550 0.833,551 0.418,552 0.287,553 0.143,554 8311,555 26351,556 2.11,557 34.1,559 12,560 1,562 1,567 1.708,568 1.988,569 3.214,570 -0.309,572 1,575 71.163,576 1.736,577 3.159,578 4,579 4.782,580 5.065,581 5.114,582 2.672,583 4.385,584 4.726,585 3.349,586 1175.64,587 8.244,588 14716.3,590 1,592 1,593 219.66,594 1.481,595 4.685,596 0.183,597 0.003,598 0.078,599 0.05,600 0.044,601 0.026,602 0.02,603 0.011,604 0.009,605 0.007,606 0.431,607 0.33,608 1,609 0.528,610 131.338,611 0.091,612 -0.038,613 0.161,614 -0.037,615 -0.142,616 0.049,617 0.252,618 -0.113,619 0.084,620 -0.016,621 0.2,622 -0.123,623 0.074,624 -0.178,625 0.05,626 -0.149,627 0.037,628 -0.048,629 -0.159,630 -0.052,631 -0.032,632 -0.024,633 -0.076,634 0.023,635 -0.24,636 0.154,637 -0.042,638 0.122,639 -0.193,640 0.051,641 -0.052,642 0.026,643 -0.092,644 -0.042,645 -0.086,646 -0.021,647 0.01,648 0.043,649 -0.08,650 0.046,651 0.081,652 -0.049,653 -0.072,654 -0.139,655 -0.178,656 -0.194,657 -0.03,658 -0.184,659 4.767,660 5.828,661 0.778,662 22.288,663 1.016,664 1.096,665 2.906,666 8.444,667 0.762,668 3.434,669 3.784,670 4.06,671 4.331,672 4.543,673 4.635,674 4.771,675 4.92,676 5.004,677 4.984,678 5.745,679 0.725,680 394.5,681 3.434,682 4.99,683 5.849,684 6.744,685 7.623,686 8.524,687 9.412,688 10.317,689 11.21,690 12.117,691 4.9,696 1,700 1,709 12,713 1,714 4,716 17,721 1,729 1,738 41,739 22,740 2,741 30,743 44,744 20,745 16,746 3,747 9,748 4,752 4,753 5,768 20,772 5,776 1,778 3,780 1,781 1,782 3,786 1,789 14,790 5,791 1,792 7,793 2,797 2,803 0.75,804 3,822 1,823 3,827 1,845 2,855 3,857 2,862 27,865 1,871 1,880 1,886 7.3,889 3,893 13.583,894 7.367,895 5.819,896 2.278,898 3.418,899 1.461,900 1.042,901 4.668,902 10.831,903 3.795,904 4.434,905 5.01,906 5.561,907 6.044,908 6.328,909 6.713,910 7.11,911 7.496,912 7.764,913 1,914 43,915 10.282,917 4.784,918 7.978,919 18.741,921 15.75,924 2.478,925 66.917,928 1,929 153.024,930 178.224,931 33.191,933 69.458,935 37.085,936 141.139,937 222.482,938 33.191,941 127.171,942 98.116,943 24.308,944 11.771,945 172.531,947 153.024,948 174.329,949 69.458,950 37.085,952 153.024,953 69.458,956 15.18,957 128.906,958 36.051,959 31.278,960 153.024,961 102.648,962 178.224,964 5.807,965 153.024,966 51.053,967 121.364,968 18.011,969 84.638,970 153.024,971 102.648,972 178.224,973 0.586,974 0.344,975 0.187,976 0.099,977 22,978 9,979 0.091,980 4,981 1,982 1.095,983 3.807,984 241.034,985 0.095,986 21,987 122.382,989 1,992 1,993 17.687,994 7.126,995 3.58,997 102.648,998 20.947,1002 1.105,1003 1.812,1005 18.011,1006 433.897,1007 43.5,1011 -3.85,1013 38.04,1015 1.489,1016 4.009,1017 0.305,1020 41.64,1021 44.956,1022 0.324,1023 0.59,1024 0.747,1025 0.893,1026 0.945,1027 0.954,1028 5.032,1029 1.363,1030 5.866,1031 3.323,1032 4.466,1033 5.121,1034 0.278,1035 6.737,1036 4.387,1037 6.283,1038 1.054,1039 7.467,1040 2.976,1041 4.205,1042 5.094,1044 7.951,1045 4.059,1046 7.634,1047 1,1048 9.186,1049 2.691,1050 6.155,1051 7.432,1052 0.05,1053 11.025,1054 5.984,1055 9.032,1056 0.871,1057 10.98,1058 2.136,1059 6.746,1060 8.277,1062 13.064,1063 6.489,1064 10.468,1065 0.618,1066 12.821,1067 2.072,1068 8.195,1069 10.089,1070 0.008,1071 15.729,1072 7.914,1073 11.932,1074 0.601,1075 14.695,1076 1.547,1077 9.145,1078 11.32,1080 18.061,1081 8.779,1082 13.417,1083 -0.058,1084 16.591,1085 1.372,1086 10.423,1087 12.949,1088 0.001,1089 20.613,1090 10.023,1091 3.412,1092 -0.456,1093 18.505,1094 -0.163,1095 11.524,1096 14.354,1098 23.053,1099 11.048,1100 3.172,1101 12.549,1102 20.43,1103 -1.185,1104 12.747,1105 15.921,1107 25.572,1108 12.227,1109 2.6,1110 11.07,1111 22.366,1112 4.767,1113 13.91,1114 17.404,1116 28.054,1117 13.323,1118 2.309,1119 8.216,1120 24.309,1121 4.147,1122 15.118,1123 18.952,1125 30.566,1126 14.481,1127 2.138,1128 7.091,1129 26.258,1130 3.483,1131 16.306,1132 20.471,1134 33.066,1135 15.609,1136 1.958,1137 6.317,1138 28.213,1139 3.13,1140 17.512,1141 22.017,1143 35.578,1144 16.762,1145 1.51,1146 5.304,1147 30.172,1148 3.092,1149 18.712,1150 23.552,1152 38.087,1153 17.905,1154 7884,1155 14245,1156 20.167,1157 31.239,1158 46.101,1159 47.095,1160 45.649,1161 45.185,1162 45.214,1163 63.445,1164 0.8,1165 133.328,1166 43.454,1167 5.77,1168 6.691,1169 7.116,1170 5.48,1171 5.412,1172 7.767,1173 0.8,1174 20.171,1175 5.235,1176 10.895,1177 1.537,1178 1.57,1179 1.522,1180 1.506,1181 1.507,1182 2.115,1183 0.027,1184 4.444,1185 1.448,1186 4.105,1187 4.095,1188 4.787,1189 4.122,1190 7.719,1191 4.025,1192 3.952,1193 3.941,1194 4.027,1195 3.931,1196 7.427,1197 3.89,1198 3.871,1199 3.898,1200 3.95,1201 3.81,1202 6.999,1203 3.804,1204 3.568,1205 3.583,1206 3.802,1207 3.524,1208 4.827,1209 3.457,1210 3.47,1211 3.468,1212 3.435,1213 3.374,1214 4.738,1215 3.338,1216 3.025,1217 3.04,1218 3.008,1219 2.892,1220 4.62,1221 2.892,1222 2.966,1223 3.022,1224 2.869,1225 2.803,1226 4.396,1227 2.809,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.047,1233 2.715,1234 0.163,1235 0.156,1236 0.244,1237 0.144,1238 0.114,1239 4.89,1240 0.159,1241 4.691,1242 0.013,1243 7.314,1244 0.418,1245 4.33,1246 0.108,1247 3.412,1248 4.767,1249 0.4,1250 12.549,1251 3.235,1252 1.998,1253 1.987,1254 2.063,1255 2.081,1256 1.188,1257 2.083,1258 1.877,1259 1.848,1260 1.999,1261 1.965,1262 1.058,1263 1.98,1264 1.711,1265 1.764,1266 1.655,1267 1.773,1268 0.903,1269 1.836,1270 1.481,1271 1.45,1272 1.622,1273 1.611,1274 0.684,1275 1.618,1276 1.416,1277 1.397,1278 1.25,1279 1.505,1280 0.633,1281 1.551,1282 1.05,1283 1.034,1284 1.181,1285 1.179,1286 0.27,1287 1.203,1288 0.929,1289 0.88,1290 1.159,1291 1.142,1292 0.218,1293 1.138,1294 0.886,1295 0.834,1296 1.141,1297 1.062,1298 0.208,1299 1.107,1300 4.111,1302 5.451,1303 2.398,1304 6.991,1305 4.443,1306 8.625,1307 6.326,1308 10.31,1317 3.061,1326 29.722,1327 71.163,1328 129.5,1329 163.996,1330 196.05,1331 207.66,1332 209.66,1333 55.247,1334 7.413,1335 75.6,1336 112.22,1337 23,1338 12.637,1339 4.524,1340 3.858,1341 39.868,1342 91,1343 97,1344 0.212,1345 188.681,1346 328.77,1347 452.143,1348 15728,1350 18.855,1351 0.698,1352 0.579,1353 19.459,1354 15.627,1355 13.044,1356 0.435,1357 0.348,1358 8.24,1359 11.599,1360 7.869,1361 6.523,1362 14.319,1363 10.428,1364 12.141,1365 0.282,1366 0.2,1367 14.06,1368 8.586,1369 10.114,1370 0.177,1371 0.117,1372 12.159,1373 6.658,1374 8.501,1375 0.113,1376 0.063,1377 10.325,1378 4.723,1379 6.636,1380 0.071,1381 0.033,1382 8.02,1383 3.081,1384 0.323,1385 93.381,1386 0.223,1387 25.454,1388 0.615,1389 146,1390 456.905,1391 220.928,1392 488.81,1393 662.96,1394 450,1395 173,1396 443.324,1397 250.206,1398 504.172,1399 738.65,1400 473,1401 5.961}
{0 CHEMBL1535546,1 1.832,2 8.923,3 3.591,4 12.892,5 103.434,6 8.907,7 0.429,8 3.885,9 3.974,10 3.748,11 3.518,12 5.008,13 3.463,14 4.434,15 4.582,16 4.094,17 3.898,18 5.758,19 3.865,20 4.671,21 4.808,22 4.218,23 4.069,24 6.051,25 4.018,26 4.79,27 4.982,28 4.121,29 4.121,30 5.96,31 4.022,32 4.81,33 5.012,34 4.086,35 4.059,36 5.975,37 3.931,38 4.816,39 5.062,40 4.041,41 3.875,42 6.211,43 3.773,44 4.44,45 4.625,46 3.929,47 3.747,48 5.699,49 3.662,50 4.347,51 4.499,52 3.862,53 3.74,54 5.535,55 3.588,56 0.093,57 0.649,58 8.826,59 4.462,60 15.424,61 4.811,62 0.345,63 1.065,64 19.661,65 7.23,66 56.448,67 8.448,68 0.614,69 1.257,70 20.594,71 8.402,72 83.308,73 9.878,74 0.488,75 1.421,76 25.452,77 10.198,78 50.364,79 12.54,80 0.451,81 1.336,82 31.385,83 11.787,84 63.941,85 14.365,86 0.95,87 1.226,88 37.307,89 11.338,90 165.131,91 14.045,92 0.498,93 0.911,94 23.979,95 7.042,96 68.772,97 7.946,98 0.427,99 0.853,100 26.594,101 7.653,102 47.204,103 8.348,104 66,105 44,106 0.315,107 0.656,108 0.787,109 0.819,110 0.827,111 0.827,112 3.305,113 1.085,114 -3.76,115 -3.72,116 -3.54,120 40.9,121 2,124 1,125 2,136 1,139 1,143 4,144 1,145 2,146 1,147 1,151 1,158 1,174 7,176 2,177 5,185 9,188 5,189 7,197 9,200 1,201 3,209 8,213 2,214 5,222 4,226 2,227 10,235 1,239 1,240 5,247 3,251 2,252 7,260 2,264 8,271 2,274 892,275 16.297,276 16.297,277 16.297,278 16.297,279 16.297,280 14.295,281 17.711,282 8.994,283 16.83,284 13.744,285 13.744,286 13.744,287 13.744,288 13.744,289 10.52,290 24.077,291 4.198,292 14.714,293 3.628,294 1.648,295 0.887,296 0.705,297 0.66,298 0.66,299 3.97,303 1,306 1,307 1,308 487,309 4.062,312 55.075,313 157.649,316 108.08,320 1.178,321 37.391,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56.833,333 232,334 4.827,335 5.18,336 7.831,337 4.642,338 3.657,339 4.675,340 2.95,341 14.446,342 3.604,343 4.807,344 4.016,345 7.122,346 4.188,347 3.333,348 4.235,349 1.012,350 11.722,351 2.893,352 4.287,353 3.543,354 6.389,355 3.856,356 2.903,357 3.885,358 0.578,359 9.64,360 2.692,361 3.774,362 2.907,363 6.101,364 3.439,365 2.471,366 3.196,368 8.438,369 2.393,370 3.542,371 2.723,372 5.908,373 3.188,374 2.231,375 2.725,377 7.437,378 2.108,379 3.285,380 2.568,381 4.9,382 2.867,383 1.906,384 2.464,386 5.276,387 1.784,388 3.054,389 2.352,390 4.59,391 2.441,392 1.568,393 2.246,395 4.598,396 1.367,397 2.857,398 1.436,399 4.011,400 2.357,401 1.372,402 1.99,404 3.202,405 1.304,406 2.566,407 1.431,408 3.825,409 2.075,410 1.097,411 1.56,413 2.806,414 1.069,415 2.449,416 1.084,417 3.707,418 1.974,419 1,420 1.394,422 2.557,423 0.967,424 1.906,425 1.049,426 3.359,427 1.39,428 0.408,429 0.55,431 1.05,432 0.393,433 1.244,434 0.754,435 2.9,436 0.68,437 -0.102,438 -0.127,440 -0.241,441 -0.067,442 1,443 0.348,444 2.844,445 0.425,446 -0.556,447 -0.68,449 -1.383,450 -0.542,451 0.779,452 -0.107,453 2.643,454 0.245,455 -0.767,456 -0.913,458 -2.096,459 -0.726,460 0.672,461 -0.249,462 2.276,463 0.132,464 -0.841,465 -1,467 -2.153,468 -0.771,469 12.748,470 0.49,471 1.141,472 0.044,473 35.25,474 1.356,475 18.5,476 0.712,477 16.75,478 0.644,479 23.107,480 0.889,481 28.052,482 0.638,483 28.039,484 1.078,485 6.504,486 0.25,487 5.526,488 0.213,489 0.291,490 0.105,491 0.306,496 0.497,497 1.373,498 0.692,499 1.152,500 0.628,501 0.932,502 0.658,503 1.068,504 0.729,505 0.919,506 0.539,507 0.698,508 0.86,509 1.088,510 0.801,511 0.89,512 0.934,513 1.008,514 0.696,515 0.995,516 0.79,517 0.957,518 0.573,519 1.082,520 0.698,521 1.133,522 0.701,523 1.093,524 0.862,525 1.194,526 0.831,527 0.824,528 0.654,529 0.722,530 0.918,531 0.752,532 1.439,533 0.763,534 1.235,535 0.737,536 1.253,537 0.828,538 1.19,539 1.19,540 1.973,541 1.373,542 0.958,543 1.334,544 8,545 0.084,546 5.111,547 3.896,548 1.738,549 1.546,550 0.628,551 0.489,552 0.465,553 0.23,554 6791,555 23055,556 1.931,557 40.9,558 6,559 11,561 1,567 1.695,568 1.714,569 3.133,570 -0.684,572 1,575 80.588,576 1.832,577 3.811,578 4.573,579 4.754,580 4.8,581 4.8,582 2.456,583 4.056,584 4.678,585 3.311,586 1076.12,587 8.123,588 13021.5,590 1,592 1,593 240.215,594 1.854,595 4.557,596 0.286,597 0.008,598 0.116,599 0.083,600 0.042,601 0.044,602 0.019,603 0.016,604 0.018,605 0.009,606 0.642,607 0.5,608 1,609 0.885,610 124.767,611 0.065,612 -0.201,613 0.135,614 -0.079,615 -0.128,616 -0.004,617 0.123,618 0.036,619 0.116,620 0.072,621 0.201,622 0.237,623 0.104,624 -0.034,625 -0.056,626 -0.048,627 0.016,628 -0.131,629 0.013,630 0.034,631 -0.046,632 -0.084,633 0.046,634 -0.134,635 0.091,636 -0.222,637 0.086,638 -0.178,639 -0.03,640 -0.189,641 0.271,642 0.019,643 0.3,644 0.189,645 0.256,646 0.277,647 -0.277,648 0.221,649 -0.055,650 0.193,651 -0.206,652 0.114,653 -0.157,654 -0.181,655 -0.396,656 -0.236,657 -0.176,658 -0.34,659 4.561,660 5.812,661 0.577,662 18.231,663 1.017,664 1.121,665 2.526,666 6.381,667 0.704,668 3.367,669 3.807,670 4.078,671 4.331,672 4.543,673 4.575,674 4.595,675 4.635,676 4.654,677 4.644,678 5.611,679 0.669,680 391.91,681 3.367,682 4.977,683 5.855,684 6.788,685 7.691,686 8.624,687 9.536,688 10.468,689 11.385,690 12.319,691 6.8,697 1,701 2,709 5,710 2,714 5,716 12,721 1,732 1,737 1,738 44,739 16,740 1,741 28,743 46,744 18,745 10,746 2,747 4,748 3,752 3,753 4,754 1,759 2,760 1,762 1,768 13,769 5,772 4,776 1,778 3,780 1,782 2,786 1,789 18,790 6,792 8,793 2,797 3,803 0.667,804 3,817 1,822 1,823 2,826 1,845 2,855 2,857 1,859 4,860 1,862 26,865 1,875 1,876 1,885 1,886 6.8,889 3,893 15.167,894 9.41,895 5.389,896 2.42,898 3.038,899 1.423,900 0.96,901 4.518,902 10.222,903 3.664,904 4.344,905 4.875,906 5.395,907 5.924,908 6.18,909 6.448,910 6.676,911 6.925,912 7.247,913 0.833,914 47,915 9.858,917 4.556,918 8.075,919 17.921,921 15.046,924 2.575,925 66.944,928 1,929 211.88,930 116.495,931 36.695,932 39.149,933 69.458,935 6.046,936 110.449,937 320.486,938 36.695,939 33.237,941 53.427,942 122.69,943 24.371,944 0.693,945 200.109,946 39.149,947 211.88,948 147.144,949 69.458,950 45.195,952 211.88,953 69.458,956 30.148,957 71.192,958 90.999,960 211.88,961 106.153,962 155.643,964 6.046,965 211.88,966 20.783,967 92.79,969 142.178,970 211.88,971 106.153,972 155.643,973 0.619,974 0.363,975 0.183,976 0.1,977 23,978 12,979 0.065,980 3,981 1,982 1.133,983 3.479,984 228.14,985 0.133,986 15,987 118.211,992 1,993 18.718,994 6.275,995 3.219,997 106.153,998 9.044,999 7.55,1003 1.574,1006 473.676,1007 38,1011 -3.644,1013 36.141,1015 1.459,1017 0.31,1020 44.756,1021 49.309,1022 0.335,1023 0.698,1024 0.838,1025 0.871,1026 0.879,1027 0.879,1028 4.97,1029 1.372,1030 5.964,1031 4.598,1032 4.489,1033 5.03,1034 3.037,1035 6.934,1036 4.367,1037 6.272,1038 1.097,1039 7.649,1040 3.202,1041 4.575,1042 5.27,1043 0.325,1044 8.403,1045 4.368,1046 7.67,1047 1,1048 9.453,1049 2.806,1050 6.33,1051 7.385,1052 5.039,1053 11.479,1054 6.101,1055 9.108,1056 0.408,1057 11.323,1058 2.557,1059 7.155,1060 8.364,1061 0.393,1062 13.702,1063 6.862,1064 10.577,1065 -0.102,1066 13.235,1067 1.05,1068 8.541,1069 10.08,1070 7.186,1071 16.445,1072 8.229,1073 12.069,1074 -0.556,1075 15.175,1076 -0.241,1077 9.641,1078 11.359,1079 0.458,1080 18.938,1081 9.291,1082 13.578,1083 -0.767,1084 17.135,1085 -1.383,1086 10.928,1087 12.941,1088 9.348,1089 21.603,1090 10.562,1091 3.657,1092 -0.841,1093 19.11,1094 -2.096,1095 12.13,1096 14.348,1097 0.52,1098 24.196,1099 11.745,1100 3.333,1101 14.446,1102 21.098,1103 -2.153,1104 13.395,1105 15.884,1106 11.511,1107 26.847,1108 13,1109 2.903,1110 11.722,1111 23.095,1112 4.675,1113 14.637,1114 17.348,1115 0.576,1116 29.48,1117 14.233,1118 2.471,1119 9.64,1120 25.1,1121 4.235,1122 15.901,1123 18.869,1124 13.675,1125 32.134,1126 15.492,1127 2.231,1128 8.438,1129 27.113,1130 3.885,1131 17.161,1132 20.361,1133 0.624,1134 34.784,1135 16.748,1136 1.906,1137 7.437,1138 29.131,1139 3.196,1140 18.43,1141 21.879,1142 15.838,1143 37.442,1144 18.014,1145 1.568,1146 5.276,1147 31.155,1148 2.725,1149 19.699,1150 23.387,1151 0.666,1152 40.101,1153 19.281,1154 6789,1155 12747,1156 17.107,1157 30.977,1158 44.848,1159 47.442,1160 46.342,1161 44.173,1162 43.891,1163 57.837,1164 9.08,1165 142.343,1166 41.15,1167 5.662,1168 7.18,1169 7.508,1170 5.714,1171 5.657,1172 7.675,1173 5.9,1174 22.793,1175 5.604,1176 17.697,1177 1.602,1178 1.694,1179 1.655,1180 1.578,1181 1.568,1182 2.066,1183 0.324,1184 5.084,1185 1.47,1186 4.084,1187 4.101,1188 4.733,1189 4.035,1190 7.716,1191 3.997,1192 4.012,1193 4.003,1194 4.025,1195 3.966,1196 7.428,1197 3.895,1198 3.705,1199 3.694,1200 3.925,1201 3.627,1202 6.999,1203 3.595,1204 3.543,1205 3.583,1206 3.505,1207 3.451,1208 5.022,1209 3.434,1210 3.323,1211 3.407,1212 3.241,1213 3.138,1214 4.796,1215 3.134,1216 3.191,1217 3.244,1218 3.1,1219 2.972,1220 4.44,1221 2.979,1222 2.874,1223 3.009,1224 3.023,1225 2.667,1226 4.316,1227 2.644,1228 2.796,1229 2.87,1230 2.612,1231 2.618,1232 3.992,1233 2.57,1234 0.172,1235 0.185,1236 0.28,1237 0.166,1238 0.131,1239 4.827,1240 0.167,1241 5.18,1242 0.105,1243 7.831,1244 0.516,1245 4.642,1246 0.129,1247 3.657,1248 4.675,1249 2.95,1250 14.446,1251 3.604,1252 1.914,1253 1.902,1254 2.03,1255 2.009,1256 1.243,1257 2.028,1258 1.879,1259 1.88,1260 1.895,1261 1.982,1262 1.057,1263 1.999,1264 1.717,1265 1.699,1266 1.769,1267 1.858,1268 1.012,1269 1.875,1270 1.528,1271 1.52,1272 1.621,1273 1.666,1274 0.75,1275 1.702,1276 1.304,1277 1.231,1278 1.574,1279 1.533,1280 0.669,1281 1.568,1282 1.136,1283 1.073,1284 1.417,1285 1.375,1286 0.469,1287 1.377,1288 0.934,1289 0.804,1290 1.38,1291 1.239,1292 0.418,1293 1.308,1294 0.829,1295 0.76,1296 1.125,1297 1.017,1298 0.183,1299 1.058,1300 4.043,1302 5.451,1303 2.398,1304 7.047,1305 5.043,1306 8.723,1307 7.368,1308 10.444,1310 6.916,1311 6.04,1321 1.944,1322 -0.389,1326 29.438,1327 80.588,1328 167.686,1329 201.195,1330 209.195,1331 211.195,1332 211.195,1333 65.153,1334 7.184,1335 80.23,1336 88.61,1337 17,1338 12.821,1339 4.087,1340 3.459,1341 44.193,1342 89,1343 70,1344 0.252,1345 189.669,1346 333.05,1347 454.551,1348 11554,1349 2.3,1350 19.276,1351 0.741,1352 0.63,1353 20.026,1354 16.389,1355 12.031,1356 0.43,1357 0.362,1358 7.95,1359 10.598,1360 7.367,1361 6.159,1362 13.214,1363 10.125,1364 12.572,1365 0.286,1366 0.205,1367 14.33,1368 9.033,1369 9.88,1370 0.17,1371 0.097,1372 10.982,1373 5.632,1374 7.994,1375 0.107,1376 0.051,1377 8.812,1378 3.839,1379 6.371,1380 0.069,1381 0.028,1382 7.142,1383 2.614,1384 0.384,1385 87.365,1386 0.242,1387 24.487,1388 0.723,1389 144,1390 461.206,1391 205.94,1392 497.029,1393 656.54,1394 454,1395 174,1396 433.674,1397 238.622,1398 484.861,1399 705.94,1400 449,1401 5.36}
{0 CHEMBL1535784,1 1.568,2 8.043,3 1.162,4 1.35,5 83.395,6 7.358,7 0.24,8 3.859,9 3.969,10 3.413,11 3.355,12 4.95,13 3.346,14 4.456,15 4.63,16 3.833,17 3.757,18 5.532,19 3.742,20 4.739,21 4.924,22 3.948,23 3.913,24 5.89,25 3.89,26 4.807,27 5.009,28 3.907,29 3.904,30 6.117,31 3.87,32 4.765,33 4.962,34 3.773,35 3.825,36 6.175,37 3.756,38 4.723,39 4.986,40 3.561,41 3.757,42 5.725,43 3.644,44 4.612,45 4.844,46 3.441,47 3.634,48 5.704,49 3.545,50 4.405,51 4.643,52 3.33,53 3.459,54 5.607,55 3.363,56 0.043,57 0.614,58 8.876,59 4.028,60 9.157,61 5.233,62 0.347,63 1.008,64 18.474,65 6.483,66 27.973,67 8.924,68 0.569,69 1.218,70 25.969,71 8.412,72 52.539,73 11.187,74 0.629,75 1.258,76 28.47,77 8.588,78 111.666,79 11.731,80 0.858,81 1.163,82 27.598,83 8.553,84 142.569,85 11.653,86 0.501,87 1.095,88 27.433,89 8.859,90 78.158,91 12.75,92 0.519,93 0.973,94 24.294,95 7.333,96 78.252,97 10.111,98 0.509,99 0.768,100 19.813,101 6.592,102 68.052,103 9.113,104 37,105 37,106 0.276,107 0.557,108 0.7,109 0.751,110 0.751,111 0.751,112 3.19,113 0.937,114 -2.65,115 -2.67,116 -2.6,120 39.5,121 3,126 2,128 3,143 4,144 2,159 3,174 6,176 3,177 7,185 6,188 3,189 10,197 3,200 1,201 8,209 3,213 5,214 8,222 2,226 1,227 7,235 4,240 4,251 2,252 6,260 4,264 2,271 4,274 664,275 14.983,276 14.983,277 14.983,278 14.983,279 14.983,280 13.991,281 17.62,282 8.505,283 15.277,284 12.26,285 12.26,286 12.26,287 12.26,288 12.26,289 10.562,290 20.364,291 3.99,292 12.689,293 3.859,294 2.268,295 1.454,296 1.169,297 1.169,298 1.169,299 3.859,306 1,307 1,308 393,309 3.162,312 47.339,313 136.904,316 93.218,320 1.183,321 37.629,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 51,333 185,334 4.621,335 4.047,336 7.102,337 4.354,338 3.372,339 4.157,340 1.991,341 12.182,342 3.308,343 4.111,344 3.747,345 6.418,346 3.91,347 2.947,348 3.307,349 1.345,350 9.706,351 2.839,352 3.648,353 3.256,354 5.858,355 3.488,356 2.544,357 2.806,358 0.86,359 7.963,360 2.382,361 3.441,362 3.043,363 5.491,364 3.076,365 2.124,366 2.65,367 0.8,368 6.481,369 2.093,370 3.389,371 2.476,372 5.308,373 3.066,374 2.026,375 2.501,376 0.585,377 6.426,378 2.016,379 2.879,380 2.169,381 4.667,382 2.839,383 1.879,384 1.957,385 0.061,386 4.963,387 1.794,388 2.858,389 2.093,390 4.618,391 2.548,392 1.579,393 1.879,395 4.314,396 1.52,397 2.545,398 1.975,399 3.701,400 2.216,401 1.231,402 1.51,404 2.911,405 1.205,406 2.48,407 1.35,408 3.618,409 1.942,410 0.914,411 1.387,413 2.21,414 0.934,415 2.074,416 1.261,417 3.47,418 1.616,419 0.567,420 0.744,422 1.393,423 0.583,424 1.186,425 0.886,426 2.742,427 0.796,428 -0.269,429 -0.347,431 -0.636,432 -0.281,433 0.926,434 -0.024,435 2.382,436 0.602,437 -0.347,438 -0.35,440 -0.891,441 -0.327,442 0.653,443 -0.03,444 2.343,445 0.463,446 -0.479,447 -0.489,449 -1.187,450 -0.435,451 0.604,452 -0.075,453 2.293,454 0.436,455 -0.585,456 -0.833,458 -1.379,459 -0.606,460 0.564,461 -0.458,462 2,463 0.126,464 -0.888,465 -1.07,467 -2.127,468 -0.901,469 10.633,470 0.462,471 0.775,472 0.034,473 25.75,474 1.12,475 10.5,476 0.457,477 15.25,478 0.663,479 21.149,480 0.92,481 25.967,482 0.604,483 20.251,484 0.88,485 5.001,486 0.217,487 5.896,488 0.256,489 0.235,491 0.451,496 0.651,497 1.529,498 0.754,499 1.267,500 0.533,501 1.068,502 0.774,503 1.119,504 0.773,505 0.96,506 0.547,507 0.872,508 1.219,509 0.99,510 0.987,511 0.943,512 0.922,513 0.916,514 1.279,515 1.043,516 1.062,517 0.983,518 1.394,519 0.962,520 1.095,521 1.081,522 1.17,523 1.106,524 1.334,525 1.147,526 0.844,527 0.891,528 0.852,529 0.886,530 0.941,531 0.878,532 1.332,533 0.912,534 1.182,535 0.955,536 1.324,537 1.017,538 0.835,539 0.804,540 0.869,541 0.903,542 0.986,543 0.9,544 5,545 0.045,546 3.111,547 3.299,548 1.641,549 0.941,550 0.478,551 0.339,552 0.23,553 0.082,554 4946,555 13616,556 1.991,557 46.5,559 11,564 9,567 1.662,568 1.792,569 3.027,570 -0.729,571 1,572 1,574 1,575 67.404,576 1.568,577 3.159,578 3.972,579 4.257,580 4.257,581 4.257,582 2.442,583 3.828,584 4.499,585 3.172,586 802.531,587 7.769,588 8833.03,590 1,593 233.329,594 1.55,595 4.413,596 0.2,597 0.007,598 0.084,599 0.082,600 0.044,601 0.031,602 0.018,603 0.015,604 0.012,605 0.008,606 0.503,607 0.5,608 1,609 0.702,610 105.266,611 -0.018,612 -0.284,613 0.061,614 -0.123,615 -0.037,616 -0.035,617 0.083,618 0.027,619 0.144,620 0.055,621 0.037,622 0.101,623 -0.093,624 0.06,625 -0.009,626 0.033,627 -0.043,628 0.029,629 -0.128,630 -0.023,631 -0.065,632 -0.037,633 -0.012,634 -0.029,635 0.107,636 -0.096,637 -0.168,638 -0.151,639 0.113,640 -0.211,641 0.004,642 0.011,643 0.137,644 0.077,645 -0.038,646 0.125,647 -0.225,648 0.033,649 -0.172,650 -0.017,651 -0.199,652 -0.068,653 0.163,654 0.086,655 0.13,656 0.078,657 0.067,658 0.098,659 2.153,660 5.743,661 0.652,662 15.255,663 1.011,664 1.13,665 1.421,666 2.02,667 0.644,668 3.258,669 3.638,670 3.951,671 4.248,672 4.407,673 4.419,674 4.454,675 4.5,676 4.407,677 4.419,678 5.099,679 0.62,680 316.39,681 3.258,682 4.828,683 5.707,684 6.619,685 7.515,686 8.431,687 9.334,688 10.253,689 11.161,690 12.081,691 4.7,698 2,709 4,714 2,716 6,738 43,739 9,740 1,741 25,743 45,744 17,745 6,746 2,747 4,748 2,752 3,753 4,759 3,763 2,766 3,768 9,769 8,772 3,778 3,782 3,785 1,786 1,789 20,790 6,792 6,797 2,800 1,803 0.667,804 4,822 1,823 2,826 1,839 1,854 1,855 2,859 3,862 23,869 2,872 1,874 3,875 2,886 9.3,889 3,890 1,893 12.833,894 8.65,895 4.972,896 2.757,898 1.373,899 1.199,900 0.938,901 4.154,902 8.271,903 3.466,904 3.98,905 4.497,906 4.976,907 5.381,908 5.442,909 5.716,910 5.841,911 5.903,912 5.757,913 1,914 40,915 8.659,917 3.866,918 8.014,919 16.136,921 13.532,924 2.514,925 57.833,929 235.422,930 89.077,931 6.249,933 86.435,936 89.077,937 321.857,938 6.249,939 26.476,940 10.46,941 37.905,942 100.549,943 6.371,945 235.422,947 235.422,948 95.326,949 86.435,952 129.482,953 181.375,954 11,956 36.936,957 58.39,960 235.422,961 92.683,962 89.077,965 235.422,966 24.697,967 70.629,969 86.435,970 235.422,971 92.683,972 89.077,973 0.599,974 0.367,975 0.206,976 0.105,977 19,978 10,979 0.044,980 2,981 1,982 1.133,983 3.32,984 190.942,985 0.133,986 15,987 88.042,993 16.004,994 5.969,995 2.741,997 92.683,998 6.661,1003 0.724,1006 417.182,1007 31,1013 37.691,1017 -1.025,1020 43.465,1021 48.571,1022 0.289,1023 0.582,1024 0.732,1025 0.785,1026 0.785,1027 0.785,1028 4.758,1029 1.231,1030 5.74,1031 4.314,1032 4.317,1033 4.663,1034 2.675,1035 6.629,1036 4.258,1037 5.954,1038 0.914,1039 7.358,1040 2.911,1041 4.111,1042 4.543,1043 1.738,1044 7.678,1045 4.029,1046 7.266,1047 0.567,1048 9.077,1049 2.21,1050 5.989,1051 6.702,1052 3.391,1053 10.845,1054 5.865,1055 8.61,1056 -0.269,1057 10.852,1058 1.393,1059 6.567,1060 7.382,1061 3.272,1062 12.721,1063 6.43,1064 9.99,1065 -0.347,1066 12.664,1067 -0.636,1068 7.985,1069 9.096,1070 4.442,1071 15.438,1072 7.812,1073 11.395,1074 -0.479,1075 14.501,1076 -0.891,1077 8.914,1078 10.152,1079 4.728,1080 17.67,1081 8.731,1082 12.823,1083 -0.585,1084 16.359,1085 -1.187,1086 10.173,1087 11.699,1088 5.663,1089 20.235,1090 9.962,1091 3.372,1092 -0.888,1093 18.232,1094 -1.379,1095 11.255,1096 12.937,1097 6.146,1098 22.618,1099 11.033,1100 2.947,1101 12.182,1102 20.118,1103 -2.127,1104 12.464,1105 14.417,1106 6.964,1107 25.131,1108 12.219,1109 2.544,1110 9.706,1111 22.015,1112 4.157,1113 13.611,1114 15.744,1115 7.546,1116 27.578,1117 13.353,1118 2.124,1119 7.963,1120 23.92,1121 3.307,1122 14.807,1123 17.194,1124 8.304,1125 30.076,1126 14.531,1127 2.026,1128 6.481,1129 25.833,1130 2.806,1131 15.984,1132 18.567,1133 8.936,1134 32.551,1135 15.693,1136 1.879,1137 6.426,1138 27.753,1139 2.65,1140 17.18,1141 20.003,1142 9.662,1143 35.046,1144 16.871,1145 1.579,1146 4.963,1147 29.677,1148 2.501,1149 18.371,1150 21.4,1151 10.32,1152 37.532,1153 18.047,1154 4903,1155 8249,1156 15.838,1157 27.682,1158 39.292,1159 42.047,1160 41.303,1161 38.432,1162 38.368,1163 45.796,1164 11.284,1165 117.097,1166 37.347,1167 5.621,1168 6.047,1169 6.781,1170 5.46,1171 5.372,1172 7.157,1173 3.473,1174 19.965,1175 5.308,1176 13.913,1177 1.572,1178 1.682,1179 1.652,1180 1.537,1181 1.535,1182 1.832,1183 0.451,1184 4.684,1185 1.494,1186 4.032,1187 4.054,1188 3.999,1189 3.932,1190 7.448,1191 3.943,1192 3.856,1193 3.9,1194 3.766,1195 3.666,1196 7.425,1197 3.682,1198 3.598,1199 3.646,1200 3.498,1201 3.425,1202 7.408,1203 3.435,1204 3.367,1205 3.452,1206 3.218,1207 3.217,1208 4.691,1209 3.19,1210 3.289,1211 3.318,1212 3.151,1213 3.085,1214 4.646,1215 3.109,1216 3.09,1217 3.188,1218 2.973,1219 2.843,1220 4.063,1221 2.858,1222 3.014,1223 3.021,1224 2.868,1225 2.836,1226 3.903,1227 2.83,1228 2.749,1229 2.818,1230 2.51,1231 2.447,1232 3.716,1233 2.448,1234 0.185,1235 0.162,1236 0.284,1237 0.174,1238 0.135,1239 4.621,1240 0.166,1241 4.047,1242 0.08,1243 7.102,1244 0.487,1245 4.354,1246 0.132,1247 3.372,1248 4.157,1249 1.991,1250 12.182,1251 3.308,1252 1.887,1253 1.868,1254 1.987,1255 2.023,1256 1.265,1257 2.011,1258 1.796,1259 1.748,1260 1.986,1261 1.959,1262 1.085,1263 1.968,1264 1.598,1265 1.551,1266 1.812,1267 1.827,1268 1.018,1269 1.817,1270 1.405,1271 1.325,1272 1.733,1273 1.606,1274 0.97,1275 1.655,1276 1.171,1277 1.145,1278 1.452,1279 1.454,1280 0.585,1281 1.426,1282 1.073,1283 0.994,1284 1.308,1285 1.361,1286 0.398,1287 1.376,1288 1.007,1289 0.974,1290 1.209,1291 1.198,1292 0.334,1293 1.168,1294 0.744,1295 0.67,1296 1.133,1297 1.034,1298 0.211,1299 1.102,1300 3.932,1302 5.293,1303 2.398,1304 6.851,1305 4.949,1306 8.498,1307 7.209,1308 10.19,1310 5.417,1315 0.938,1318 5.623,1320 -0.936,1321 2.741,1326 26.643,1327 67.404,1328 135.82,1329 170.8,1330 183.065,1331 183.065,1332 183.065,1333 60.669,1334 6.898,1335 68.61,1336 68.61,1337 17,1338 12.591,1339 3.322,1340 2.807,1341 36.667,1342 70,1343 59,1344 0.263,1345 163.669,1346 296,1347 391.113,1348 7913,1350 16.723,1351 0.727,1352 0.586,1353 16.723,1354 13.483,1355 10.897,1356 0.436,1357 0.312,1358 7.684,1359 10.383,1360 7.43,1361 6.131,1362 10.897,1363 7.81,1364 10.304,1365 0.278,1366 0.168,1367 10.304,1368 6.202,1369 8.835,1370 0.173,1371 0.084,1372 8.835,1373 4.301,1374 7.72,1375 0.112,1376 0.048,1377 7.72,1378 3.292,1379 5.641,1380 0.07,1381 0.024,1382 5.641,1383 1.978,1384 0.398,1385 69.004,1386 0.251,1387 22.01,1388 0.77,1389 124,1390 402.232,1391 140.346,1392 374.205,1393 499.44,1394 348,1395 150,1396 358.054,1397 167.154,1398 355.415,1399 529.97,1400 335,1401 4.476}
{0 CHEMBL1535991,1 1.285,2 12.44,3 3.869,4 14.967,5 104.922,6 6.155,7 0.444,8 4.058,9 4.196,10 3.467,11 3.592,12 4.972,13 3.528,14 4.638,15 4.846,16 3.776,17 3.991,18 5.46,19 3.897,20 4.925,21 5.166,22 3.818,23 4.183,24 5.694,25 4.041,26 5.018,27 5.285,28 3.686,29 4.209,30 5.735,31 4.015,32 5.022,33 5.322,34 3.564,35 4.129,36 5.685,37 3.911,38 4.876,39 5.181,40 3.425,41 3.886,42 5.563,43 3.688,44 4.555,45 4.829,46 3.286,47 3.606,48 5.321,49 3.467,50 4.295,51 4.521,52 3.211,53 3.566,54 5.068,55 3.426,56 0.069,57 0.76,58 13.483,59 5.476,60 9.288,61 7.851,62 0.196,63 1.247,64 24.108,65 8.79,66 19.372,67 12.946,68 0.278,69 1.56,70 31.657,71 12.173,72 27.512,73 17.562,74 0.276,75 1.626,76 33.991,77 13.945,78 30.173,79 19.97,80 0.19,81 1.575,82 33.538,83 13.769,84 28.225,85 19.951,86 0.238,87 1.292,88 29.435,89 10.999,90 28.95,91 15.949,92 0.319,93 0.938,94 22.1,95 7.425,96 26.768,97 10.673,98 0.127,99 0.817,100 16.754,101 6.592,102 14.252,103 9.387,104 5,105 36,106 0.215,107 0.483,108 0.651,109 0.76,110 0.786,111 0.786,112 3.266,113 1.042,114 -4.67,115 -4.59,116 -4.32,120 40,121 2,122 1,124 1,126 6,143 9,144 2,145 1,174 14,177 4,185 20,189 2,192 1,197 21,200 1,201 1,209 19,214 1,219 1,222 13,227 5,235 7,240 4,243 1,247 3,252 3,260 3,264 2,269 2,271 2,274 905,275 17.015,276 17.015,277 17.015,278 17.015,279 17.015,280 15.617,281 24.716,282 10.426,283 17.345,284 13.348,285 13.348,286 13.348,287 13.348,288 13.348,289 11.32,290 36.761,291 4.965,292 13.861,293 4.497,294 2.893,295 1.891,296 1.241,297 1.082,298 1.082,299 3.95,305 1,306 1,307 1,308 665,309 3.464,313 285.526,320 2.067,321 11.229,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 52,333 311,334 4.647,335 3.858,336 7.666,337 4.51,338 3.51,339 4.029,340 0.86,341 13.61,342 3.51,343 3.919,344 2.888,345 5.615,346 3.499,347 2.551,348 3.475,349 0.8,350 7.182,351 2.431,352 3.559,353 2.829,354 5.341,355 3.437,356 2.508,357 2.936,358 0.68,359 6.964,360 2.32,361 3.517,362 2.3,363 5.285,364 3.136,365 2.153,366 2.521,367 0.4,368 6.315,369 2.107,370 3.025,371 1.89,372 4.34,373 2.659,374 1.69,375 2.211,377 4.181,378 1.632,379 2.634,380 1.777,381 3.725,382 2.526,383 1.567,384 1.64,386 3.327,387 1.499,388 2.5,389 1.544,390 3.563,391 2.225,392 1.291,393 1.5,395 2.778,396 1.199,397 2.5,398 1.146,399 3.451,400 2.08,401 1.087,402 1.5,404 2.598,405 1.078,406 2.493,407 1.124,408 3.414,409 2,410 1,411 1.491,413 2.275,414 1,415 2.309,416 1,417 3.247,418 2,419 1,420 1.299,422 2.136,423 1,424 2,425 1,426 3.247,427 1.967,428 1,429 1,431 2.136,432 0.965,433 1.535,434 0.77,435 2.957,436 1.368,437 0.455,438 0.481,440 1.033,441 0.412,442 0.942,443 0.029,444 2.716,445 0.696,446 -0.253,447 -0.28,449 -0.596,450 -0.238,451 0.676,452 -0.402,453 2.471,454 0.306,455 -0.652,456 -0.716,458 -1.429,459 -0.619,460 0.5,461 -0.598,462 2.146,463 0.264,464 -0.733,465 -0.959,467 -1.647,468 -0.732,469 12.133,470 0.485,471 0.512,472 0.02,473 27.75,474 1.11,475 12.5,476 0.5,477 15.25,478 0.61,479 23.027,480 0.921,481 28.067,482 0.51,483 18.308,484 0.732,485 5.312,486 0.212,487 6.848,488 0.274,489 0.082,490 0.041,491 0.157,496 0.971,497 1.372,498 0.999,499 1.206,500 1.039,501 1.117,502 1.503,503 1.045,504 1.08,505 0.979,506 1.075,507 0.985,508 1.324,509 0.962,510 1.132,511 1.03,512 1.089,513 1.06,514 0.847,515 1.028,516 1.092,517 1.113,518 1.037,519 1.126,520 0.514,521 0.993,522 0.915,523 1.048,524 0.853,525 1.019,526 1.239,527 0.916,528 0.883,529 0.922,530 1.141,531 0.888,532 2.47,533 0.718,534 1.041,535 0.714,536 1.829,537 0.776,538 1.434,539 1.141,540 1.166,541 1.16,542 1.269,543 1.152,544 4.5,545 0.103,546 2.889,547 1.5,548 0.782,549 0.5,550 0.362,551 0.26,552 0.086,553 0.088,554 8321,555 15455,556 2.076,557 54.5,558 6,559 21,562 1,565 2,567 1.671,568 1.987,569 3.575,570 -0.435,572 1,575 70.661,576 1.285,577 2.889,578 3.89,579 4.54,580 4.699,581 4.699,582 3.063,583 4.084,584 4.613,585 3.763,586 1128.94,587 7.931,588 14593.2,590 1,592 1,593 317.975,594 1.242,595 4.588,596 0.167,597 0.007,598 0.08,599 0.042,600 0.026,601 0.019,602 0.016,603 0.013,604 0.005,605 0.005,606 0.38,607 0.5,608 1,609 0.477,610 124.267,611 0.044,612 -0.13,613 0.064,614 -0.048,615 -0.027,617 -0.131,618 0.104,619 -0.019,620 0.056,621 0.016,622 0.035,623 -0.105,624 0.096,625 -0.112,626 -0.013,627 -0.024,628 -0.054,629 0.008,630 -0.052,631 -0.124,632 -0.093,633 -0.067,634 -0.116,635 0.067,636 -0.069,637 0.019,638 -0.057,639 -0.002,640 -0.027,641 0.037,642 -0.027,643 0.097,644 0.02,645 0.059,646 0.057,647 -0.112,648 0.21,649 0.034,650 0.205,651 -0.086,652 0.137,653 -0.119,654 -0.102,655 -0.142,656 -0.118,657 -0.116,658 -0.131,659 1.248,660 2.428,661 0.72,662 26.304,663 0.98,664 1.128,665 3.442,666 11.846,667 0.639,668 3.332,669 3.611,670 3.829,671 3.97,672 4.127,673 4.043,674 4.111,675 4.043,676 4.043,677 4.078,678 7.269,679 0.584,680 338.54,681 3.332,682 4.844,683 5.666,684 6.515,685 7.356,686 8.212,687 9.062,688 9.924,689 10.78,690 11.646,691 3.6,693 1,694 1,709 9,714 3,716 12,735 1,738 55,739 12,740 2,741 27,743 57,744 22,745 12,746 3,747 9,752 3,753 3,759 2,760 1,766 1,768 12,769 10,786 1,789 30,790 3,791 1,792 3,797 2,803 1,804 1,823 3,849 1,851 1,855 3,859 2,862 25,869 7,871 1,872 1,875 1,876 1,886 1.8,891 1,893 12.583,894 10.117,895 5.583,896 3.467,898 2.042,899 1.298,900 0.947,901 6.247,902 8.889,903 3.526,904 4.007,905 4.489,906 4.938,907 5.421,908 5.436,909 5.741,910 5.885,911 6.121,912 6.35,913 1,914 36,915 9.274,917 3.771,918 7.37,919 18.586,921 15.219,924 1.87,925 46.75,926 0.001,927 1,928 1,929 341.362,930 132.207,931 21.135,933 11,936 132.207,937 352.362,938 21.135,939 17.65,940 17.655,941 103.297,943 25.739,945 341.362,947 341.362,948 153.342,949 11,952 317.82,953 34.542,956 56.441,957 96.901,960 341.362,961 32.135,962 132.207,965 341.362,966 29.27,967 106.061,968 18.011,969 11,970 341.362,971 32.135,972 132.207,973 0.57,974 0.328,975 0.166,976 0.086,977 16,978 6,979 0.123,980 7,982 1,983 3.886,984 190.591,986 18,987 102.096,993 18.126,994 8.617,995 4.913,997 32.135,998 19.255,1003 3.611,1005 18.011,1006 505.704,1007 33,1020 53.901,1021 62.019,1022 0.222,1023 0.5,1024 0.673,1025 0.785,1026 0.813,1027 0.813,1028 4.745,1029 1.087,1030 5.645,1031 2.778,1032 4.29,1033 4.691,1034 1.544,1035 6.457,1036 4.228,1037 5.901,1038 1,1039 7.213,1040 2.598,1041 3.892,1042 4.27,1043 0.325,1044 7.743,1045 3.832,1046 7.184,1047 1,1048 8.921,1049 2.275,1050 5.922,1051 6.73,1052 1.11,1053 10.812,1054 5.826,1055 8.513,1056 1,1057 10.728,1058 2.136,1059 6.463,1060 7.168,1061 0.268,1062 13.044,1063 6.397,1064 9.887,1065 0.455,1066 12.604,1067 2.136,1068 7.966,1069 9.102,1070 0.827,1071 15.767,1072 7.879,1073 11.295,1074 -0.253,1075 14.528,1076 1.033,1077 8.927,1078 9.953,1079 0.188,1080 18.272,1081 8.872,1082 12.729,1083 -0.652,1084 16.486,1085 -0.596,1086 10.249,1087 11.639,1088 0.621,1089 20.915,1090 10.188,1091 3.51,1092 -0.733,1093 18.467,1094 -1.429,1095 11.387,1096 12.714,1097 0.125,1098 23.495,1099 11.348,1100 2.551,1101 13.61,1102 20.464,1103 -1.647,1104 12.653,1105 14.268,1106 0.465,1107 26.116,1108 12.615,1109 2.508,1110 7.182,1111 22.473,1112 4.029,1113 13.862,1114 15.471,1115 0.082,1116 28.718,1117 13.836,1118 2.153,1119 6.964,1120 24.49,1121 3.475,1122 15.115,1123 16.951,1124 0.348,1125 31.332,1126 15.092,1127 1.69,1128 6.315,1129 26.513,1130 2.936,1131 16.351,1132 18.23,1133 0.054,1134 33.94,1135 16.334,1136 1.567,1137 4.181,1138 28.539,1139 2.521,1140 17.602,1141 19.668,1142 0.259,1143 36.552,1144 17.589,1145 1.291,1146 3.327,1147 30.569,1148 2.211,1149 18.85,1150 20.993,1151 0.035,1152 39.162,1153 18.839,1154 7973,1155 10945,1156 18.257,1157 35.126,1158 39.943,1159 39.736,1160 39.803,1161 39.614,1162 39.625,1163 48.165,1164 5.48,1165 109.068,1166 38.306,1167 5.647,1168 5.858,1169 7.468,1170 5.577,1171 5.51,1172 7.029,1173 1.72,1174 21.567,1175 5.51,1176 8.705,1177 1.479,1178 1.472,1179 1.474,1180 1.467,1181 1.468,1182 1.784,1183 0.203,1184 4.04,1185 1.419,1186 4.022,1187 4.05,1188 3.959,1189 3.969,1190 4.869,1191 3.963,1192 3.846,1193 3.916,1194 3.756,1195 3.756,1196 4.734,1197 3.751,1198 3.81,1199 3.845,1200 3.701,1201 3.632,1202 4.431,1203 3.639,1204 3.541,1205 3.606,1206 3.39,1207 3.374,1208 4.341,1209 3.368,1210 3.424,1211 3.494,1212 3.259,1213 3.295,1214 4.054,1215 3.277,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 3.845,1221 2.91,1222 3.031,1223 3.124,1224 2.864,1225 2.742,1226 3.674,1227 2.758,1228 2.874,1229 3.009,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.172,1235 0.143,1236 0.284,1237 0.167,1238 0.13,1239 4.647,1240 0.149,1241 3.858,1242 0.032,1243 7.666,1244 0.504,1245 4.51,1246 0.13,1247 3.51,1248 4.029,1249 0.86,1250 13.61,1251 3.51,1252 2.001,1253 1.978,1254 2.115,1255 2.074,1256 1.32,1257 2.089,1258 1.826,1259 1.799,1260 2.006,1261 2.016,1262 1.308,1263 2.02,1264 1.778,1265 1.705,1266 1.945,1267 1.914,1268 1.107,1269 1.925,1270 1.532,1271 1.47,1272 1.802,1273 1.74,1274 1.003,1275 1.765,1276 1.45,1277 1.384,1278 1.723,1279 1.622,1280 0.828,1281 1.66,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.825,1287 1.429,1288 0.964,1289 0.876,1290 1.417,1291 1.295,1292 0.515,1293 1.308,1294 0.934,1295 0.821,1296 1.303,1297 1.239,1298 0.469,1299 1.301,1300 4.007,1302 5.293,1304 6.79,1306 8.376,1308 10.009,1310 4.539,1315 7.523,1317 3.387,1318 5.928,1321 2.505,1322 0.002,1326 32.133,1327 70.661,1328 158.868,1329 213.962,1330 249.71,1331 258.465,1332 258.465,1333 36.364,1334 6.847,1335 24.5,1336 24.5,1337 18,1338 12.195,1339 3.7,1340 2.807,1341 42.243,1342 111,1343 102,1344 0.186,1345 199.642,1346 345.23,1347 478.887,1348 8831,1350 17.537,1351 0.701,1352 0.62,1353 17.537,1354 15.501,1355 12.16,1356 0.45,1357 0.347,1358 9.292,1359 11.84,1360 8.981,1361 7.486,1362 12.16,1363 9.381,1364 10.662,1365 0.296,1366 0.203,1367 10.662,1368 7.309,1369 8.756,1370 0.195,1371 0.115,1372 8.756,1373 5.169,1374 6.717,1375 0.129,1376 0.065,1377 6.717,1378 3.402,1379 5.173,1380 0.085,1381 0.036,1382 5.173,1383 2.218,1384 0.303,1385 74.98,1386 0.234,1387 25.101,1388 0.478,1389 126,1390 269.714,1391 133.012,1392 264.904,1393 370.25,1394 252,1395 144,1396 272.694,1397 151.208,1398 280.258,1399 404.7,1400 264,1401 4.217}
{0 CHEMBL1536129,1 1.582,2 10.5,3 3.107,4 9.653,5 78.511,6 8.144,7 0.522,8 3.718,9 3.801,10 3.331,11 3.211,12 4.994,13 3.232,14 4.172,15 4.288,16 3.653,17 3.511,18 5.554,19 3.515,20 4.374,21 4.535,22 3.662,23 3.555,24 5.629,25 3.564,26 4.336,27 4.479,28 3.659,29 3.424,30 5.88,31 3.463,32 4.275,33 4.424,34 3.462,35 3.348,36 5.675,37 3.384,38 4.1,39 4.234,40 3.457,41 3.382,42 5.595,43 3.362,44 4.171,45 4.343,46 3.252,47 3.378,48 5.379,49 3.31,50 4.154,51 4.375,52 3.129,53 3.174,54 5.549,55 3.077,56 0.132,57 0.478,58 6.404,59 3.4,60 12.972,61 3.683,62 0.462,63 0.706,64 11.822,65 5.262,66 33.861,67 6.142,68 0.464,69 0.821,70 16.627,71 6.11,72 45.138,73 7.088,74 0.647,75 0.758,76 16.074,77 5.454,78 66.833,79 6.147,80 0.656,81 0.684,82 16.337,83 4.914,84 86.277,85 4.911,86 0.494,87 0.628,88 11.818,89 4.975,90 58.638,91 5.861,92 0.343,93 0.67,94 13.344,95 5.503,96 40.833,97 6.613,98 0.657,99 0.622,100 15.343,101 5.14,102 78.028,103 7.024,104 21,105 30,106 0.286,107 0.632,108 0.76,109 0.857,110 0.871,111 0.871,112 3.145,113 0.866,114 -4.1,115 -4.04,116 -3.83,120 43.2,121 1,126 1,143 8,144 1,145 3,159 1,160 1,174 6,176 2,177 5,180 2,182 4,185 7,189 4,194 2,197 3,201 12,204 2,205 1,206 3,209 2,214 4,222 4,227 3,230 4,232 2,235 9,245 2,247 6,251 4,257 4,260 3,269 2,274 672,275 14.715,276 14.715,277 14.715,278 14.715,279 14.715,280 12.941,281 16.414,282 9.026,283 15.113,284 11.326,285 11.326,286 11.326,287 11.326,288 11.326,289 8.65,290 20.309,291 4.238,292 11.857,293 3.627,294 1.719,295 1.014,296 0.473,297 0.399,298 0.399,299 3.806,305 1,306 1,307 1,308 473,309 3.464,313 162.887,320 1.955,321 31.985,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49.5,333 231,334 4.365,335 3.71,336 6.412,337 3.985,338 3.007,339 4.002,340 2.186,341 9.754,342 2.934,343 3.937,344 3.649,345 5.523,346 3.544,347 2.595,348 3.462,349 1.674,350 7.48,351 2.451,352 3.785,353 2.845,354 5.36,355 3.397,356 2.441,357 3.12,358 0.366,359 6.976,360 2.327,361 3.465,362 2.631,363 4.883,364 3.04,365 2.071,366 2.679,368 5.559,369 1.978,370 3.113,371 2.233,372 4.599,373 2.683,374 1.729,375 2.285,377 4.571,378 1.631,379 2.867,380 1.811,381 3.878,382 2.407,383 1.432,384 2.016,386 3.227,387 1.39,388 2.64,389 1.589,390 3.534,391 2.136,392 1.144,393 1.647,395 2.726,396 1.125,397 2.5,398 1.467,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.121,407 1,408 3.135,409 1.94,410 1,411 1.073,413 1.682,414 0.924,415 1.363,416 0.705,417 2.74,418 1.01,419 0.061,420 0.073,422 0.149,423 0.057,424 1.175,425 0.592,426 2.467,427 0.732,428 -0.235,429 -0.288,431 -0.538,432 -0.221,433 0.937,434 0.245,435 2.257,436 0.57,437 -0.371,438 -0.468,440 -0.789,441 -0.344,442 0.678,443 0.039,444 1.954,445 0.389,446 -0.6,447 -0.716,449 -1.088,450 -0.58,451 0.543,452 -0.398,453 1.594,454 0.128,455 -0.894,456 -1.251,458 -2.249,459 -0.906,460 0.5,461 -0.615,462 1.555,464 -1,465 -1.453,467 -2.347,468 -0.992,469 10.067,470 0.458,471 0.489,472 0.022,473 30.25,474 1.375,475 16.5,476 0.75,477 13.75,478 0.625,479 13.326,480 0.606,481 24.133,482 0.652,483 22.634,484 1.029,485 6.375,486 0.29,487 4.221,488 0.192,489 0.149,491 0.298,496 0.837,497 1.192,498 0.734,499 1.087,500 0.715,501 0.916,502 0.629,503 1.102,504 0.776,505 1.081,506 0.518,507 1.001,508 1.169,509 1.073,510 0.929,511 0.999,512 0.929,513 0.91,514 1.21,515 1.106,516 0.985,517 1.067,518 1.193,519 0.975,520 1.91,521 0.695,522 1.299,523 0.668,524 2.087,525 0.763,526 0.69,527 0.949,528 0.9,529 1.033,530 0.914,531 1.041,532 0.945,533 1.179,534 1.148,535 1.237,536 1.052,537 1.257,538 0.475,539 0.98,540 0.896,541 0.993,542 0.605,543 1.06,544 4.5,545 0.054,546 2,547 1.625,548 1.004,549 0.722,550 0.344,551 0.302,552 0.147,553 0.09,554 4887,555 16541,556 1.969,557 40.5,559 10,562 2,564 3,567 1.642,568 1.833,569 3.354,570 0.348,571 1,572 1,574 1,575 58.537,576 1.582,577 3.49,578 4.196,579 4.736,580 4.811,581 4.811,582 2.936,583 4.096,584 4.424,585 3.509,586 810.597,587 7.589,588 9144.41,589 1,590 1,591 1,592 1,593 192.75,594 1.435,595 4.382,596 0.196,597 0.005,598 0.067,599 0.054,600 0.036,601 0.03,602 0.014,603 0.016,604 0.01,605 0.009,606 0.437,607 0.33,608 1,609 1.461,610 102.79,611 -0.1,612 -0.064,613 0.008,614 -0.035,615 -0.118,616 0.011,617 0.254,618 -0.044,619 0.072,620 -0.067,621 0.148,622 -0.063,623 -0.169,624 -0.077,625 0.024,626 -0.029,627 -0.092,628 0.041,629 0.017,630 -0.111,631 0.006,632 -0.135,633 0.102,634 -0.079,635 -0.488,636 0.276,637 -0.259,638 0.247,639 -0.441,640 0.108,641 0.244,642 0.06,643 -0.006,644 -0.023,645 0.162,646 -0.083,647 -0.123,648 -0.218,649 -0.228,650 -0.226,651 -0.166,652 -0.255,653 0.425,654 -0.072,655 0.149,656 -0.028,657 0.322,658 -0.026,659 2.355,660 4.977,661 0.545,662 21.14,663 1.025,664 1.12,665 2.866,666 8.211,667 0.665,668 3.178,669 3.434,670 3.611,671 3.807,672 3.912,673 3.912,674 3.912,675 3.989,676 3.85,677 3.829,678 6.088,679 0.656,680 301.32,681 3.178,682 4.673,683 5.476,684 6.319,685 7.14,686 7.991,687 8.819,688 9.675,689 10.508,690 11.367,691 2.7,698 1,709 8,714 4,716 12,726 1,733 1,734 1,738 37,739 14,740 2,741 23,743 38,744 16,745 12,746 4,747 8,748 1,752 2,753 2,759 1,768 14,769 2,772 2,778 2,782 2,785 1,786 1,789 15,790 6,791 2,792 6,797 1,803 1,804 5,823 2,855 2,859 1,862 22,868 1,869 1,871 1,872 2,886 13.5,888 1,889 2,891 2,893 12,894 6.783,895 5.056,896 2.147,898 2.194,899 1.346,900 0.911,901 5.525,902 8.545,903 3.466,904 3.989,905 4.454,906 4.963,907 5.4,908 5.47,909 5.665,910 5.968,911 5.94,912 6.222,913 1,914 30,915 8.114,917 3.372,918 8.182,919 14.694,921 11.124,924 2.682,925 59,929 153.024,930 114.367,931 18.011,933 114.973,936 114.367,937 267.997,938 18.011,939 8.825,940 22.603,941 75.81,942 100.165,943 33.186,944 6.763,945 153.024,947 153.024,948 132.378,949 114.973,952 117.711,953 150.286,956 31.428,957 100.95,960 153.024,961 132.984,962 114.367,965 153.024,966 29.732,967 84.635,968 18.011,969 114.973,970 153.024,971 132.984,972 114.367,973 0.562,974 0.316,975 0.169,976 0.082,977 12,978 6,979 0.158,980 6,982 1,983 3.447,984 156.4,986 12,987 94.107,993 16.015,994 7.59,995 4.574,997 132.984,998 12.602,1003 0.39,1005 60.694,1006 400.375,1007 31,1013 23.254,1017 -1.326,1020 37.924,1021 41.452,1022 0.304,1023 0.67,1024 0.805,1025 0.909,1026 0.923,1027 0.923,1028 4.654,1029 1,1030 5.434,1031 2.726,1032 4.111,1033 4.673,1034 2.717,1035 6.168,1036 4.029,1037 5.836,1038 1,1039 6.946,1040 2.136,1041 3.611,1042 4.369,1043 1.784,1044 6.917,1045 3.495,1046 7.115,1047 0.061,1048 8.558,1049 1.682,1050 5.624,1051 6.769,1052 3.882,1053 9.983,1054 5.466,1055 8.427,1056 -0.235,1057 10.229,1058 0.149,1059 5.916,1060 7.229,1061 3.59,1062 11.559,1063 5.725,1064 9.768,1065 -0.371,1066 11.938,1067 -0.538,1068 7.405,1069 9.134,1070 5.188,1071 14.135,1072 7.186,1073 11.129,1074 -0.6,1075 13.674,1076 -0.789,1077 8.086,1078 9.975,1079 5.289,1080 16.079,1081 7.836,1082 12.507,1083 -0.894,1084 15.431,1085 -1.088,1086 9.343,1087 11.646,1088 6.576,1089 18.472,1090 9.073,1091 3.007,1092 -1,1093 17.204,1094 -2.249,1095 10.222,1096 12.702,1097 6.93,1098 20.591,1099 9.923,1100 2.595,1101 9.754,1102 18.99,1103 -2.347,1104 11.376,1105 14.247,1106 8.022,1107 22.911,1108 11.06,1109 2.441,1110 7.48,1111 20.787,1112 4.002,1113 12.356,1114 15.431,1115 8.539,1116 25.112,1117 12.015,1118 2.071,1119 6.976,1120 22.593,1121 3.462,1122 13.466,1123 16.904,1124 9.51,1125 27.405,1126 13.108,1127 1.729,1128 5.559,1129 24.407,1130 3.12,1131 14.5,1132 18.166,1133 10.13,1134 29.645,1135 14.118,1136 1.432,1137 4.571,1138 26.228,1139 2.679,1140 15.594,1141 19.599,1142 11.027,1143 31.928,1144 15.195,1145 1.144,1146 3.227,1147 28.054,1148 2.285,1149 16.654,1150 20.908,1151 11.71,1152 34.187,1153 16.234,1154 4983,1155 9291,1156 14.909,1157 24.608,1158 33.356,1159 34.99,1160 34.448,1161 32.979,1162 32.957,1163 43.714,1164 8.454,1165 88.519,1166 31.629,1167 5.217,1168 5.71,1169 6.214,1170 5.039,1171 5.007,1172 7.002,1173 3.889,1174 16.476,1175 4.934,1176 11.65,1177 1.45,1178 1.521,1179 1.498,1180 1.434,1181 1.433,1182 1.901,1183 0.368,1184 3.849,1185 1.375,1186 3.967,1187 3.982,1188 3.925,1189 3.872,1190 7.436,1191 3.881,1192 3.858,1193 3.885,1194 3.792,1195 3.789,1196 7.431,1197 3.786,1198 3.58,1199 3.614,1200 3.498,1201 3.316,1202 6.468,1203 3.34,1204 3.336,1205 3.372,1206 3.241,1207 3.102,1208 4.833,1209 3.135,1210 3.14,1211 3.139,1212 3.036,1213 2.836,1214 4.627,1215 2.891,1216 2.934,1217 2.97,1218 2.813,1219 2.746,1220 4.447,1221 2.749,1222 2.854,1223 2.925,1224 2.697,1225 2.735,1226 4.185,1227 2.715,1228 2.8,1229 2.838,1230 2.687,1231 2.653,1232 3.805,1233 2.661,1234 0.19,1235 0.161,1236 0.279,1237 0.173,1238 0.131,1239 4.365,1240 0.174,1241 3.71,1242 0.095,1243 6.412,1244 0.424,1245 3.985,1246 0.128,1247 3.007,1248 4.002,1249 2.186,1250 9.754,1251 2.934,1252 1.907,1253 1.892,1254 2.005,1255 2.022,1256 1.08,1257 2.011,1258 1.855,1259 1.829,1260 1.964,1261 1.95,1262 1.034,1263 1.958,1264 1.495,1265 1.439,1266 1.804,1267 1.768,1268 0.938,1269 1.771,1270 1.216,1271 1.193,1272 1.324,1273 1.508,1274 0.296,1275 1.461,1276 0.966,1277 0.958,1278 1.181,1279 1.298,1280 0.218,1281 1.229,1282 0.886,1283 0.839,1284 1.14,1285 1.14,1286 0.155,1287 1.131,1288 0.883,1289 0.821,1290 1.125,1291 1.062,1292 0.135,1293 1.107,1294 0.767,1295 0.733,1296 1.01,1297 0.969,1298 0.106,1299 0.982,1300 3.85,1302 5.118,1304 6.578,1306 8.127,1308 9.721,1310 1.68,1314 9.89,1315 0.235,1317 2.426,1318 9.849,1326 24.283,1327 58.537,1328 129.14,1329 155.24,1330 175.24,1331 177.995,1332 177.995,1333 48.77,1334 6.351,1335 84.86,1336 84.86,1337 12,1338 11.924,1339 3.907,1340 3.17,1341 42.397,1342 79,1343 86,1344 0.265,1345 152.817,1346 272.67,1347 364.635,1348 4115,1350 15.949,1351 0.725,1352 0.541,1353 15.949,1354 11.906,1355 10.597,1356 0.461,1357 0.289,1358 6.518,1359 10.059,1360 6.39,1361 5.335,1362 10.597,1363 6.639,1364 9.167,1365 0.306,1366 0.143,1367 9.167,1368 4.28,1369 7.022,1370 0.195,1371 0.075,1372 7.022,1373 2.693,1374 5.894,1375 0.134,1376 0.039,1377 5.894,1378 1.718,1379 3.978,1380 0.081,1381 0.021,1382 3.978,1383 1.015,1384 0.418,1385 67.444,1386 0.259,1387 22.085,1388 0.714,1389 106,1390 415.425,1391 122.778,1392 386.488,1393 508.54,1394 358,1395 119,1396 360.284,1397 133.124,1398 357.112,1399 518.04,1400 335,1401 4.308}
{0 CHEMBL1536327,1 1.559,2 12.179,3 4.291,4 18.415,5 108.115,6 7.565,7 0.355,8 4.059,9 4.169,10 3.643,11 3.63,12 5.067,13 3.593,14 4.667,15 4.841,16 4.042,17 4.064,18 5.662,19 3.998,20 4.975,21 5.192,22 4.218,23 4.241,24 5.949,25 4.156,26 4.994,27 5.191,28 4.188,29 4.186,30 6.125,31 4.099,32 4.862,33 5.057,34 3.923,35 4.082,36 5.963,37 3.966,38 4.763,39 4.994,40 3.726,41 4.009,42 5.632,43 3.859,44 4.795,45 5.07,46 3.757,47 3.865,48 5.852,49 3.726,50 4.523,51 4.773,52 3.621,53 3.675,54 5.49,55 3.578,56 0.008,57 0.73,58 10.819,59 5.251,60 4.412,61 6.82,62 0.29,63 1.25,64 22.988,65 9.187,66 28.786,67 12.367,68 0.295,69 1.585,70 34.704,71 12.409,72 39.819,73 16.757,74 0.573,75 1.491,76 39.998,77 12.109,78 83.032,79 15.459,80 0.69,81 1.307,82 36.49,83 11.258,84 84.112,85 14.302,86 0.149,87 1.278,88 28.25,89 11.003,90 26.556,91 15.174,92 0.559,93 1.255,94 31.511,95 10.16,96 81.999,97 14.681,98 0.23,99 0.972,100 22.855,101 7.505,102 32.84,103 10.396,104 20,105 44,106 0.26,107 0.573,108 0.775,109 0.834,110 0.847,111 0.847,112 3.375,113 1.019,114 -4.7,115 -4.61,116 -4.34,120 41.5,121 1,122 6,123 1,126 3,143 3,144 3,145 1,147 2,159 2,174 10,176 2,177 11,185 12,189 13,197 8,201 8,209 13,213 4,214 3,222 17,235 10,239 2,240 11,247 5,252 9,260 1,264 5,271 7,274 1206,275 19.077,276 19.077,277 19.077,278 19.077,279 19.077,280 17.567,281 20.546,282 11.151,283 19.498,284 15.221,285 15.221,286 15.221,287 15.221,288 15.221,289 12.686,290 19.832,291 5.166,292 15.821,293 4.169,294 2.295,295 1.085,296 0.731,297 0.656,298 0.656,299 4.072,303 1,306 1,307 1,308 743,309 3.464,313 278.982,317 213.209,320 1.977,321 33.582,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 60.333,333 341,334 4.647,335 3.8,336 6.778,337 4.188,338 3.226,339 4.581,340 2.443,341 11.077,342 3.097,343 4.222,344 3.691,345 6.401,346 3.948,347 2.972,348 3.688,349 1.2,350 9.721,351 2.892,352 3.952,353 3.455,354 6.023,355 3.746,356 2.752,357 3.253,358 0.293,359 8.561,360 2.725,361 3.834,362 2.702,363 5.97,364 3.487,365 2.503,366 3.095,367 0.286,368 8.326,369 2.46,370 3.475,371 2.514,372 5.344,373 3.068,374 2.136,375 2.833,377 6.558,378 1.977,379 3.24,380 2.404,381 5.119,382 2.904,383 1.958,384 2.392,386 5.899,387 1.818,388 2.772,389 1.937,390 4.24,391 2.504,392 1.556,393 1.777,395 3.89,396 1.466,397 2.617,398 1.828,399 4.126,400 2.419,401 1.434,402 1.638,404 3.384,405 1.404,406 2.488,407 1.766,408 3.753,409 2.25,410 1.257,411 1.488,413 3.08,414 1.247,415 2.292,416 1.555,417 3.646,418 1.985,419 1,420 1.178,422 2.351,423 0.983,424 2.033,425 1.428,426 3.465,427 1.984,428 1,429 1,431 2.275,432 0.964,433 2,434 1.239,435 3.414,436 1.783,437 0.827,438 0.929,440 1.801,441 0.759,442 1.961,443 1.077,444 2.911,445 1.635,446 0.65,447 0.808,449 1.288,450 0.602,451 1.337,452 0.357,453 2.905,454 0.878,460 1.024,461 0.277,462 2.562,463 0.629,464 -0.356,465 -0.428,467 -0.799,468 -0.347,469 13.514,470 0.483,471 0.678,472 0.024,473 31,474 1.107,475 13,476 0.464,477 18,478 0.643,479 28.569,480 1.02,481 30.886,482 0.583,483 22.129,484 0.79,485 5.456,486 0.195,487 8.124,488 0.29,489 0.139,491 0.363,496 0.626,497 1.334,498 0.658,499 1.081,500 0.498,501 0.993,502 0.667,503 1.124,504 0.716,505 0.942,506 0.489,507 0.939,508 0.931,509 1.048,510 0.764,511 0.882,512 0.77,513 0.866,514 1.627,515 1.008,516 1.241,517 0.97,518 1.77,519 0.99,520 1.52,521 0.835,522 1.489,523 1.019,524 1.767,525 1.094,526 0.541,527 1.251,528 0.919,529 1.23,530 0.612,531 1.2,532 0.409,533 0.953,534 0.619,535 0.898,536 0.445,537 0.876,538 0.969,539 0.906,540 0.728,541 0.802,542 0.961,543 0.799,544 5,545 0.107,546 4,547 2.375,548 1.813,549 0.833,550 0.665,551 0.476,552 0.275,553 0.158,554 10129,555 26000,556 2.094,557 47.2,558 6,559 9,563 3,564 7,567 1.707,568 1.953,569 3.549,570 -0.778,572 1,575 82.621,576 1.559,577 3.433,578 4.643,579 4.997,580 5.072,581 5.072,582 3.071,583 4.396,584 4.775,585 3.692,586 1395.65,587 8.287,588 18339.6,590 1,592 1,593 303.58,594 1.432,595 4.736,596 0.161,597 0.006,598 0.091,599 0.048,600 0.042,601 0.024,602 0.022,603 0.017,604 0.011,605 0.007,606 0.429,607 0.33,608 1,609 1.088,610 141.152,611 -0.003,612 -0.141,613 0.038,614 -0.043,615 0.009,616 0.005,617 0.119,618 -0.009,619 0.061,620 0.043,621 0.095,622 0.036,623 -0.04,624 -0.015,625 0.128,626 0.088,627 0.016,628 0.109,629 -0.231,630 -0.009,631 -0.1,632 0.008,633 -0.2,634 -0.05,635 -0.17,636 0.154,637 -0.304,638 -0.015,639 -0.249,640 -0.137,641 0.029,642 -0.263,643 -0.076,644 -0.226,645 -0.006,646 -0.178,647 0.359,648 0.006,649 0.228,650 0.034,651 0.341,652 0.107,653 -0.037,654 0.103,655 0.154,656 0.128,657 0.001,658 0.16,659 1.816,660 5.968,661 0.714,662 28.51,663 1.002,664 1.124,665 3.467,666 12.022,667 0.667,668 3.466,669 3.807,670 4.127,671 4.382,672 4.644,673 4.771,674 4.949,675 5.069,676 5.193,677 5.204,678 6.872,679 0.629,680 400.94,681 3.466,682 5.017,683 5.889,684 6.777,685 7.663,686 8.558,687 9.451,688 10.35,689 11.246,690 12.147,691 3.8,698 1,701 1,708 2,709 3,710 1,714 4,716 11,724 1,737 1,738 53,739 13,740 1,741 31,743 56,744 22,745 9,746 3,747 3,748 1,752 4,753 7,754 1,759 1,763 6,764 1,766 6,768 11,769 11,770 1,772 2,778 2,782 2,786 1,789 25,790 5,792 6,793 1,797 2,803 0.5,804 3,816 1,823 4,827 2,841 1,855 2,859 1,860 1,862 28,869 9,872 1,874 1,875 1,885 1,886 5.7,889 2,891 1,893 14.333,894 9.876,895 6.194,896 3.768,898 2.451,899 1.311,900 0.977,901 5.772,902 10.331,903 3.676,904 4.256,905 4.86,906 5.423,907 6.022,908 6.447,909 6.895,910 7.272,911 7.648,912 7.685,913 1,914 49,915 10.479,917 4.574,918 7.742,919 20.308,921 17.366,924 2.242,925 62.778,927 1,928 1,929 294.278,930 90.507,931 19.91,932 39.149,933 61.29,936 90.507,937 394.716,938 19.91,939 8.825,940 27.135,941 28.429,942 78.971,943 28.345,945 294.278,946 39.149,947 294.278,948 110.416,949 61.29,950 39.149,952 211.88,953 143.687,956 40.861,957 52.769,958 55.934,960 294.278,961 81.2,962 129.655,965 294.278,966 53.253,967 40.378,969 117.224,970 294.278,971 81.2,972 129.655,973 0.583,974 0.356,975 0.191,976 0.101,977 22,978 10,979 0.071,980 4,981 2,982 1.2,983 3.951,984 247.398,985 0.2,986 20,987 130.606,993 19.509,994 8.284,995 3.875,996 1.706,997 81.2,998 5.61,999 4.804,1003 3.652,1006 505.132,1007 38.5,1013 24.862,1017 -0.163,1020 53.112,1021 59.551,1022 0.272,1023 0.599,1024 0.811,1025 0.872,1026 0.886,1027 0.886,1028 4.94,1029 1.434,1030 5.883,1031 3.89,1032 4.489,1033 4.942,1034 2.633,1035 6.727,1036 4.419,1037 6.136,1038 1.257,1039 7.468,1040 3.384,1041 4.111,1042 4.879,1043 2.283,1044 7.689,1045 4.004,1046 7.455,1047 1,1048 9.154,1049 3.08,1050 6.116,1051 7.155,1052 3.914,1053 10.808,1054 5.991,1055 8.811,1056 1,1057 10.899,1058 2.351,1059 6.567,1060 7.941,1061 4.282,1062 12.569,1063 6.401,1064 10.203,1065 0.827,1066 12.68,1067 2.275,1068 8.038,1069 9.731,1070 5.506,1071 15.206,1072 7.855,1073 11.619,1074 0.65,1075 14.485,1076 1.801,1077 8.86,1078 10.898,1079 6.162,1080 17.296,1081 8.635,1082 13.053,1084 16.306,1085 1.288,1086 10.122,1087 12.513,1088 7.213,1089 19.767,1090 9.875,1091 3.226,1092 -0.356,1093 18.14,1095 11.115,1096 13.861,1097 7.993,1098 22.007,1099 10.824,1100 2.972,1101 11.077,1102 19.983,1103 -0.799,1104 12.297,1105 15.411,1106 8.964,1107 24.419,1108 11.977,1109 2.752,1110 9.721,1111 21.833,1112 4.581,1113 13.369,1114 16.847,1115 9.802,1116 26.732,1117 13.006,1118 2.503,1119 8.561,1120 23.689,1121 3.688,1122 14.522,1123 18.374,1124 10.734,1125 29.124,1126 14.124,1127 2.136,1128 8.326,1129 25.551,1130 3.253,1131 15.632,1132 19.853,1133 11.6,1134 31.474,1135 15.191,1136 1.958,1137 6.558,1138 27.417,1139 3.095,1140 16.777,1141 21.372,1142 12.512,1143 33.861,1144 16.298,1145 1.556,1146 5.899,1147 29.287,1148 2.833,1149 17.907,1150 22.872,1151 13.391,1152 36.232,1153 17.384,1154 9670,1155 15603,1156 20.69,1157 35.37,1158 46.967,1159 49.298,1160 48.71,1161 46.725,1162 46.54,1163 57.321,1164 8.443,1165 136.423,1166 44.787,1167 5.647,1168 5.8,1169 6.547,1170 5.231,1171 5.226,1172 7.581,1173 4.174,1174 18.623,1175 5.097,1176 13.843,1177 1.515,1178 1.59,1179 1.571,1180 1.507,1181 1.501,1182 1.849,1183 0.272,1184 4.401,1185 1.445,1186 4.118,1187 4.142,1188 4.157,1189 4.055,1190 7.433,1191 4.057,1192 3.888,1193 3.934,1194 3.812,1195 3.74,1196 7.427,1197 3.744,1198 3.747,1199 3.788,1200 3.661,1201 3.657,1202 5.033,1203 3.647,1204 3.535,1205 3.585,1206 3.508,1207 3.305,1208 4.551,1209 3.319,1210 3.376,1211 3.414,1212 3.393,1213 3.239,1214 4.474,1215 3.229,1216 3.174,1217 3.221,1218 3.181,1219 2.985,1220 4.35,1221 2.993,1222 3.129,1223 3.206,1224 3.021,1225 2.966,1226 4.209,1227 2.964,1228 3.111,1229 3.204,1230 2.873,1231 2.941,1232 3.967,1233 2.91,1234 0.15,1235 0.123,1236 0.219,1237 0.135,1238 0.104,1239 4.647,1240 0.148,1241 3.8,1242 0.079,1243 6.778,1244 0.357,1245 4.188,1246 0.1,1247 3.226,1248 4.581,1249 2.443,1250 11.077,1251 3.097,1252 2.071,1253 2.052,1254 2.142,1255 2.152,1256 1.43,1257 2.153,1258 1.849,1259 1.802,1260 2.037,1261 2.025,1262 1.403,1263 2.03,1264 1.752,1265 1.711,1266 1.936,1267 1.875,1268 1.156,1269 1.897,1270 1.483,1271 1.421,1272 1.8,1273 1.744,1274 0.938,1275 1.758,1276 1.331,1277 1.299,1278 1.513,1279 1.514,1280 0.825,1281 1.498,1282 1.153,1283 1.073,1284 1.462,1285 1.376,1286 0.756,1287 1.429,1288 1.134,1289 1.064,1290 1.437,1291 1.342,1292 0.661,1293 1.384,1294 1.115,1295 1.054,1296 1.329,1297 1.338,1298 0.56,1299 1.339,1300 4.143,1302 5.476,1304 7.026,1306 8.671,1308 10.366,1310 1.813,1311 6.632,1315 7.045,1318 5.103,1320 -0.104,1321 1.816,1326 33.336,1327 82.621,1328 181.963,1329 246.07,1330 264.825,1331 268.825,1332 268.825,1333 57.968,1334 7.88,1335 59.5,1336 59.5,1337 24,1338 12.67,1339 3.807,1340 3.087,1341 42.658,1342 115,1343 134,1344 0.182,1345 205.647,1346 363.02,1347 493.538,1348 29434,1349 1.9,1350 19.673,1351 0.703,1352 0.605,1353 20.173,1354 16.926,1355 13.58,1356 0.438,1357 0.34,1358 10.076,1359 12.865,1360 9.836,1361 8.057,1362 13.868,1363 10.529,1364 12.1,1365 0.275,1366 0.182,1367 12.434,1368 7.987,1369 10.858,1370 0.178,1371 0.103,1372 11.286,1373 6.274,1374 9.008,1375 0.114,1376 0.059,1377 9.447,1378 4.624,1379 7.176,1380 0.07,1381 0.033,1382 7.449,1383 3.37,1384 0.289,1385 87.7,1386 0.22,1387 26.837,1388 0.492,1389 150,1390 428.7,1391 178.07,1392 436.446,1393 584.44,1394 408,1395 180,1396 402.224,1397 206.133,1398 412.613,1399 614.21,1400 391,1401 4.8}
{0 CHEMBL1536878,1 1.485,2 10.214,3 5.383,4 28.972,5 102.336,6 8.724,7 0.844,8 3.881,9 3.953,10 3.597,11 3.529,12 5.11,13 3.535,14 4.342,15 4.435,16 3.959,17 3.889,18 5.562,19 3.892,20 4.534,21 4.688,22 3.971,23 3.924,24 5.754,25 3.906,26 4.494,27 4.635,28 3.992,29 3.881,30 5.793,31 3.89,32 4.494,33 4.618,34 4.01,35 3.932,36 5.789,37 3.933,38 4.544,39 4.682,40 3.931,41 3.951,42 5.741,43 3.922,44 4.531,45 4.709,46 3.707,47 3.871,48 5.597,49 3.795,50 4.351,51 4.571,52 3.434,53 3.604,54 5.431,55 3.507,56 0.04,57 0.501,58 5.493,59 3.395,60 5.333,61 3.604,62 0.112,63 0.821,64 9.809,65 5.478,66 12.138,67 5.647,68 0.332,69 1.077,70 15.814,71 7.062,72 29.471,73 7.937,74 0.335,75 1.035,76 14.79,77 6.368,78 41.055,79 6.609,80 0.364,81 1.012,82 13.706,83 6.265,84 39.471,85 6.327,86 0.288,87 1.024,88 15.169,89 7.248,90 31.888,91 7.666,92 0.28,93 1.026,94 17.139,95 7.826,96 27.472,97 8.948,98 0.285,99 0.898,100 16.097,101 6.828,102 32.194,103 8.705,104 2,105 45,106 0.251,107 0.467,108 0.619,109 0.776,110 0.806,111 0.814,112 3.375,113 0.824,114 -3.57,115 -3.55,116 -3.38,120 54.8,143 12,144 2,147 4,152 2,153 2,158 1,174 11,177 8,185 9,188 3,189 10,197 8,200 2,201 9,209 7,213 2,214 8,222 10,226 1,227 9,235 12,240 6,247 8,251 1,252 5,260 3,263 1,264 6,271 4,274 1136,275 19.568,276 19.568,277 19.568,278 19.568,279 19.568,280 16.432,281 1.291,282 11.668,283 19.642,284 15.842,285 15.842,286 15.842,287 15.842,288 15.842,289 11.145,290 0.417,291 5.577,292 15.971,293 3.907,294 2.627,295 1.727,296 0.798,297 0.619,298 0.571,299 4.088,306 1,307 1,308 644,309 2.646,312 134.712,313 230.954,317 117.882,320 1.643,321 26.617,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 60,333 286,334 4.611,335 3.584,336 6.739,337 4.179,338 3.205,339 4.506,341 11.049,342 3.129,343 4.338,344 3.189,345 6.417,346 3.993,347 2.979,348 3.951,350 9.8,351 3.015,352 4.097,353 2.718,354 6.059,355 3.65,356 2.661,357 3.706,359 8.729,360 2.628,361 3.942,362 2.542,363 5.781,364 3.536,365 2.542,366 3.518,368 7.865,369 2.526,370 3.585,371 2.204,372 5.202,373 3.126,374 2.13,375 3.061,377 6.234,378 2.121,379 3.327,380 1.93,381 4.708,382 2.83,383 1.839,384 2.717,386 4.881,387 1.82,388 3.155,389 1.768,390 4.538,391 2.62,392 1.664,393 2.474,395 4.65,396 1.588,397 2.957,398 1.649,399 3.9,400 2.482,401 1.477,402 2.145,404 3.296,405 1.483,406 2.666,407 1.323,408 3.808,409 2.227,410 1.232,411 1.735,413 2.896,414 1.225,415 2.5,416 1.232,417 3.365,418 2,419 1,420 1.5,422 2.136,423 1,424 2.42,425 1,426 3.265,427 1.868,428 0.849,429 1.278,431 2.037,432 0.858,433 2.288,434 0.81,435 3.247,436 1.78,437 0.774,438 1.166,440 1.889,441 0.776,442 2.127,443 0.665,444 3.237,445 1.618,446 0.618,447 0.927,449 1.531,450 0.618,451 2.118,452 0.618,453 3,454 1.618,455 0.618,456 0.927,458 1.372,459 0.618,460 2.118,461 0.618,462 3,463 1.575,464 0.587,465 0.899,467 1.372,468 0.578,469 13.3,470 0.475,471 0.551,472 0.02,473 43.75,474 1.563,475 25.5,476 0.911,477 18.25,478 0.652,479 16.976,480 0.606,481 26.9,482 0.64,483 32.371,484 1.156,485 8.904,486 0.318,487 4.889,488 0.175,489 0.025,491 0.338,496 0.737,497 1.033,498 0.615,499 0.91,500 0.606,501 0.777,502 0.981,503 1.205,504 0.814,505 1.043,506 0.75,507 0.929,508 0.942,509 1.04,510 0.889,511 0.927,512 0.882,513 0.904,514 1.21,515 1.048,516 0.885,517 0.863,518 1.655,519 0.811,520 1.12,521 0.97,522 0.948,523 0.892,524 1.325,525 0.873,526 1.166,527 0.997,528 1.088,529 1.055,530 0.859,531 1.056,532 1.038,533 1.033,534 1.19,535 1.088,536 0.78,537 1.157,538 0.614,539 0.999,540 1.021,541 1.064,542 0.746,543 1.104,544 4,545 0.069,546 3.111,547 1.431,548 1.609,549 0.868,550 0.541,551 0.351,552 0.271,553 0.177,554 10054,555 27905,556 2.223,557 33.3,559 12,560 2,567 1.714,568 2.154,569 3.321,570 -0.813,575 62.378,576 1.485,577 2.766,578 3.665,579 4.594,580 4.773,581 4.821,582 2.758,583 4.307,584 4.777,585 3.481,586 1315.83,587 8.329,588 16857.2,593 226.477,594 1.108,595 4.769,596 0.125,597 0.003,598 0.069,599 0.033,600 0.036,601 0.019,602 0.013,603 0.011,604 0.011,605 0.008,606 0.328,607 0.33,608 0.88,609 0.343,610 138.681,611 -0.024,612 -0.109,613 0.058,614 -0.052,615 -0.068,616 0.003,617 -0.086,618 -0.247,619 -0.057,620 -0.167,621 -0.079,622 -0.123,623 0.049,625 0.054,626 0.01,627 0.077,628 0.02,629 -0.042,630 0.027,631 0.043,632 0.047,633 -0.115,634 0.058,635 0.009,636 0.073,637 -0.076,638 0.005,639 -0.074,640 -0.032,641 -0.103,642 -0.035,643 -0.171,644 -0.106,645 -0.039,646 -0.14,647 -0.134,648 -0.086,649 -0.18,650 -0.083,651 -0.094,652 -0.13,653 0.156,654 -0.013,655 0.088,656 -0.019,657 0.137,658 0.017,659 1.723,660 5.776,661 0.929,662 26,663 1.012,664 1.098,665 2.345,666 5.497,667 0.737,668 3.497,669 3.829,670 4.159,671 4.454,672 4.682,673 4.852,674 5.056,675 5.226,676 5.371,677 5.416,678 6.136,679 0.723,680 366.39,681 3.497,682 5.043,683 5.916,684 6.804,685 7.694,686 8.59,687 9.488,688 10.388,689 11.29,690 12.194,691 4.8,701 2,708 2,709 14,710 2,712 2,714 6,716 27,721 1,738 42,739 28,740 2,741 32,743 46,744 23,745 22,746 4,747 8,748 1,752 5,753 6,768 23,772 1,778 1,782 1,788 2,789 14,790 5,792 5,797 2,803 0.8,804 3,813 1,822 2,823 3,827 1,855 4,862 28,886 7.1,889 1,891 2,893 13,894 7.817,895 6.083,896 2.478,898 4.142,899 1.531,900 1.058,901 4.025,902 11.944,903 3.861,904 4.516,905 5.194,906 5.838,907 6.391,908 6.873,909 7.431,910 7.946,911 8.442,912 8.776,913 0.857,914 44,915 10.317,917 4.512,918 7.75,919 19.473,921 16.147,924 2.25,925 63,929 164.795,930 169.398,931 33.571,933 44.16,936 169.398,937 208.955,938 33.571,941 137.194,942 63.849,943 35.188,944 34.44,945 141.253,947 164.795,948 202.969,949 44.16,952 164.795,953 44.16,956 9.802,957 159.596,958 33.571,960 164.795,961 77.731,962 169.398,965 164.795,966 32.204,967 137.194,969 77.731,970 164.795,971 77.731,972 169.398,973 0.579,974 0.349,975 0.196,976 0.101,977 24,978 9,979 0.087,980 4,981 1,982 1.077,983 4.018,984 259.713,985 0.077,986 26,987 130.606,993 16.519,994 6.822,995 3.028,996 1.287,997 77.731,998 24.925,999 9.461,1001 11.072,1003 3.537,1006 411.924,1007 46.5,1013 12.776,1017 -0.057,1020 42.487,1021 46.116,1022 0.275,1023 0.513,1024 0.68,1025 0.852,1026 0.885,1027 0.894,1028 5.074,1029 1.477,1030 5.889,1031 4.65,1032 4.511,1033 5.204,1035 6.718,1036 4.494,1037 6.295,1038 1.232,1039 7.452,1040 3.296,1041 4.007,1042 4.902,1044 7.633,1045 3.985,1046 7.606,1047 1,1048 9.12,1049 2.896,1050 6.111,1051 7.467,1053 10.779,1054 6.074,1055 8.959,1056 0.849,1057 10.851,1058 2.136,1059 6.509,1060 8.079,1062 12.543,1063 6.468,1064 10.345,1065 0.774,1066 12.624,1067 2.037,1068 8.011,1069 10.006,1071 15.181,1072 7.953,1073 11.756,1074 0.618,1075 14.424,1076 1.889,1077 8.807,1078 11.046,1080 17.283,1081 8.743,1082 13.185,1083 0.618,1084 16.242,1085 1.531,1086 10.079,1087 12.712,1089 19.749,1090 9.998,1091 3.205,1092 0.587,1093 18.074,1094 1.372,1095 11.058,1096 13.969,1098 22,1099 10.967,1100 2.979,1101 11.049,1102 19.915,1103 1.372,1104 12.24,1105 15.523,1107 24.405,1108 12.133,1109 2.661,1110 9.8,1111 21.764,1112 4.506,1113 13.304,1114 16.891,1116 26.724,1117 13.182,1118 2.542,1119 8.729,1120 23.619,1121 3.951,1122 14.455,1123 18.399,1125 29.11,1126 14.316,1127 2.13,1128 7.865,1129 25.48,1130 3.706,1131 15.558,1132 19.826,1134 31.463,1135 15.403,1136 1.839,1137 6.234,1138 27.344,1139 3.518,1140 16.7,1141 21.318,1143 33.845,1144 16.526,1145 1.664,1146 4.881,1147 29.212,1148 3.061,1149 17.824,1150 22.775,1152 36.215,1153 17.631,1154 9215,1155 15513,1156 22.364,1157 30.943,1158 48.904,1159 49.448,1160 48.158,1161 48.391,1162 48.35,1163 69.02,1165 139.475,1166 47.966,1167 5.36,1168 5.584,1169 6.541,1170 5.251,1171 5.205,1172 7.506,1174 18.227,1175 5.129,1176 6.577,1177 1.528,1178 1.545,1179 1.505,1180 1.512,1181 1.511,1182 2.157,1184 4.359,1185 1.499,1186 4.119,1187 4.141,1188 4.096,1189 4.018,1190 7.427,1191 4.033,1192 3.922,1193 3.938,1194 3.873,1195 3.839,1196 5.19,1197 3.843,1198 3.824,1199 3.84,1200 3.77,1201 3.723,1202 5.046,1203 3.73,1204 3.82,1205 3.83,1206 3.761,1207 3.663,1208 4.901,1209 3.685,1210 3.381,1211 3.407,1212 3.34,1213 3.244,1214 4.724,1215 3.263,1216 3.086,1217 3.116,1218 3.018,1219 2.96,1220 4.247,1221 2.968,1222 2.896,1223 2.949,1224 2.817,1225 2.763,1226 4.073,1227 2.765,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.144,1235 0.112,1236 0.211,1237 0.131,1238 0.1,1239 4.611,1240 0.141,1241 3.584,1243 6.739,1244 0.345,1245 4.179,1246 0.098,1247 3.205,1248 4.506,1250 11.049,1251 3.129,1252 2.026,1253 2.005,1254 2.085,1255 2.128,1256 1.186,1257 2.114,1258 1.882,1259 1.856,1260 1.988,1261 1.971,1262 1.053,1263 1.978,1264 1.61,1265 1.593,1266 1.71,1267 1.716,1268 0.825,1269 1.706,1270 1.464,1271 1.426,1272 1.644,1273 1.587,1274 0.689,1275 1.604,1276 1.395,1277 1.366,1278 1.543,1279 1.586,1280 0.539,1281 1.581,1282 1.196,1283 1.2,1284 1.31,1285 1.49,1286 0.306,1287 1.428,1288 1.141,1289 1.134,1290 1.251,1291 1.342,1292 0.25,1293 1.304,1294 0.935,1295 0.887,1296 1.181,1297 1.137,1298 0.218,1299 1.143,1300 4.174,1302 5.501,1303 3.045,1304 7.027,1305 5.13,1306 8.647,1307 6.986,1308 10.32,1326 30.348,1327 62.378,1328 116.155,1329 153.948,1330 192.968,1331 200.477,1332 202.477,1333 39.213,1334 7.801,1335 69.13,1336 69.13,1337 28,1338 12.714,1339 4.858,1340 3.954,1341 37.516,1342 104,1343 106,1344 0.179,1345 181.948,1346 304.21,1347 435.714,1348 24485,1350 18.924,1351 0.676,1352 0.525,1353 18.924,1354 14.702,1355 13.793,1356 0.431,1357 0.275,1358 8.684,1359 13.346,1360 8.537,1361 7.052,1362 13.793,1363 8.788,1364 12.239,1365 0.272,1366 0.139,1367 12.239,1368 6.274,1369 11.028,1370 0.175,1371 0.071,1372 11.028,1373 4.472,1374 9.388,1375 0.11,1376 0.037,1377 9.388,1378 3.122,1379 7.255,1380 0.068,1381 0.019,1382 7.255,1383 2.001,1384 0.276,1385 85.967,1386 0.211,1387 26.412,1388 0.508,1389 154,1390 470.497,1391 167.297,1392 454.255,1393 635.42,1394 428,1395 185,1396 482.997,1397 199.796,1398 486.887,1399 718.64,1400 461,1401 4.491}
{0 CHEMBL1536957,1 1.645,2 9.3,3 4.825,4 23.279,5 115.319,6 8.636,7 0.794,8 3.999,9 4.092,10 3.836,11 3.673,12 5.14,13 3.631,14 4.497,15 4.616,16 4.192,17 4.065,18 5.808,19 4.022,20 4.736,21 4.887,22 4.359,23 4.188,24 5.959,25 4.138,26 4.84,27 5.004,28 4.348,29 4.179,30 6.245,31 4.134,32 4.799,33 4.964,34 4.315,35 4.169,36 6.123,37 4.131,38 4.771,39 4.915,40 4.304,41 4.216,42 6.071,43 4.157,44 4.863,45 5.034,46 4.131,47 4.179,48 6.171,49 4.11,50 4.746,51 4.939,52 3.831,53 4.076,54 5.911,55 3.971,56 0.082,57 0.707,58 9.654,59 4.447,60 17.432,61 4.667,62 0.204,63 1.145,64 14.52,65 7.225,66 40.968,67 8.277,68 0.236,69 1.524,70 24.088,71 9.31,72 30.811,73 10.274,74 0.617,75 1.626,76 29.311,77 10.561,78 90.007,79 11.357,80 0.477,81 1.541,82 24.387,83 9.24,84 79.815,85 9.553,86 0.238,87 1.554,88 26.764,89 10.11,90 38.776,91 10.091,92 0.495,93 1.569,94 29.484,95 10.878,96 91.486,97 10.9,98 0.312,99 1.328,100 24.251,101 10.305,102 62.745,103 12.232,104 17,105 51,106 0.271,107 0.529,108 0.65,109 0.781,110 0.814,111 0.827,112 3.442,113 0.961,114 -4.76,115 -4.68,116 -4.39,120 47.9,121 1,143 13,144 1,145 3,147 3,154 1,162 1,164 1,165 1,166 1,174 12,176 2,177 4,179 1,180 1,185 12,188 2,189 10,197 7,200 4,201 10,203 4,204 4,206 2,211 2,213 2,214 12,219 4,224 4,227 18,232 5,235 2,237 5,240 13,245 3,247 12,249 3,252 7,257 1,260 21,262 1,264 1,271 19,274 1400,275 20.256,276 20.256,277 20.256,278 20.256,279 20.256,280 16.858,281 12.568,282 11.708,283 20.737,284 16.789,285 16.789,286 16.789,287 16.789,288 16.789,289 11.671,290 9.809,291 5.568,292 17.676,293 3.94,294 2.369,295 1.635,296 0.841,297 0.641,298 0.557,299 4.148,306 1,307 1,308 619,309 3.317,312 49.783,313 278.653,316 87.766,317 107.305,320 1.387,321 38.063,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 64,333 279,334 5.089,335 5.366,336 7.826,337 4.539,338 3.65,339 5.079,340 2.95,341 14.499,342 3.255,343 4.632,344 3.492,345 6.963,346 4.083,347 3.169,348 4.557,350 11.614,351 2.857,352 4.279,353 2.951,354 6.204,355 3.782,356 2.82,357 4.075,359 9.242,360 2.706,361 3.902,362 2.854,363 5.987,364 3.46,365 2.477,366 3.49,368 8.085,369 2.432,370 3.783,371 2.521,372 5.574,373 3.304,374 2.321,375 3.346,377 6.689,378 2.269,379 3.348,380 2.243,381 5.095,382 2.875,383 1.927,384 2.747,386 6.03,387 1.821,388 3.336,389 1.955,390 4.965,391 2.816,392 1.864,393 2.677,395 5.403,396 1.767,397 3.072,398 1.733,399 4.671,400 2.556,401 1.592,402 2.306,404 4.583,405 1.529,406 2.915,407 1.491,408 4.327,409 2.4,410 1.414,411 2.101,413 3.726,414 1.393,415 2.893,416 1.406,417 3.639,418 2.392,419 1.403,420 2.058,422 3.004,423 1.384,424 2.623,425 1.162,426 3.617,427 2.09,428 1.113,429 1.674,431 2.809,432 1.085,433 2.5,434 1,435 3.444,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.414,445 2,446 1,447 1.5,449 2.136,450 1,451 1.934,452 0.847,453 3.247,454 1.391,455 0.444,456 0.654,458 1.208,459 0.418,460 1.217,461 0.378,462 3.134,463 0.829,464 -0.095,465 -0.115,467 -0.245,468 -0.086,469 14.6,470 0.487,471 0.88,472 0.029,473 47,474 1.567,475 27.5,476 0.917,477 19.5,478 0.65,479 20.993,480 0.7,481 29.8,482 0.621,483 38.335,484 1.278,485 9.103,486 0.303,487 5.361,488 0.179,489 0.107,490 0.057,491 0.336,496 0.583,497 1.108,498 0.787,499 1.019,500 0.743,501 0.798,502 0.619,503 1.096,504 0.718,505 0.915,506 0.598,507 0.855,508 0.96,509 1.262,510 1.001,511 1.147,512 0.873,513 0.931,514 1.16,515 1.067,516 1.111,517 1.058,518 1.256,519 0.901,520 1.632,521 0.983,522 0.931,523 0.748,524 1.652,525 0.768,526 1.302,527 1.236,528 1.409,529 1.277,530 1.049,531 1.032,532 1.889,533 0.922,534 1.334,535 1.008,536 1.927,537 1.023,538 1.17,539 0.929,540 1.06,541 1.028,542 1.276,543 1.156,544 6,545 0.111,546 4.222,547 3.354,548 2.66,549 1.859,550 1.137,551 0.608,552 0.272,553 0.142,554 10433,555 27798,556 2.136,557 37.5,558 3,559 13,562 2,567 1.739,568 1.989,569 3.162,570 0.21,575 78.978,576 1.645,577 3.216,578 3.95,579 4.744,580 4.944,581 5.028,582 2.644,583 4.374,584 4.875,585 3.312,586 1440.61,587 8.566,588 18717.3,590 1,593 268.078,594 1.579,595 4.829,596 0.176,597 0.009,598 0.083,599 0.06,600 0.047,601 0.034,602 0.021,603 0.013,604 0.007,605 0.006,606 0.456,607 0.33,608 0.88,609 0.551,610 148.765,611 0.057,612 -0.043,613 0.18,614 -0.005,615 -0.199,616 0.056,617 0.232,618 -0.074,619 0.134,620 0.011,621 0.188,622 0.012,623 0.037,624 -0.18,625 0.088,626 -0.117,627 0.005,628 -0.028,629 0.253,630 0.006,631 0.011,632 -0.034,633 0.183,634 0.004,635 -0.178,636 0.089,637 0.039,638 0.181,639 -0.157,640 0.103,641 -0.194,642 -0.129,643 -0.233,644 -0.199,645 0.02,646 -0.141,647 -0.402,648 0.081,649 -0.311,650 -0.024,651 -0.265,652 -0.105,653 -0.181,654 -0.045,655 -0.222,656 -0.106,657 -0.155,658 -0.159,659 4.834,660 6.6,661 0.833,662 25.733,663 1.007,664 1.109,665 3.534,666 12.487,667 0.727,668 3.555,669 3.951,670 4.304,671 4.654,672 4.963,673 5.165,674 5.394,675 5.58,676 5.684,677 5.762,678 5.641,679 0.696,680 414.52,681 3.555,682 5.142,683 6.038,684 6.967,685 7.889,686 8.831,687 9.766,688 10.716,689 11.658,690 12.612,691 8.3,695 1,699 1,701 2,708 4,709 13,710 2,714 5,715 1,716 27,728 1,738 48,739 29,740 3,741 34,743 52,744 23,745 22,746 5,747 13,752 5,753 8,759 1,768 22,769 1,772 2,776 1,778 2,789 18,790 5,791 2,792 7,793 1,797 4,803 0.6,804 2,813 1,818 1,822 1,823 4,826 1,827 1,855 3,857 1,859 1,862 30,863 1,865 1,886 4.2,889 2,893 15.083,894 9.017,895 6.361,896 2.739,898 4.873,899 1.599,900 1.076,901 4.263,902 13.011,903 3.922,904 4.666,905 5.361,906 6.071,907 6.738,908 7.256,909 7.846,910 8.392,911 8.85,912 9.265,913 1,914 56,915 11.422,917 5.403,918 7.831,919 21.033,921 18.056,924 2.331,925 69.917,928 1,929 188.338,930 157.582,931 68.367,933 44.313,935 6.046,936 151.536,937 232.651,938 68.367,939 8.825,941 162.134,942 79.599,943 19.703,945 188.338,947 188.338,948 219.903,949 44.313,950 6.046,952 188.338,953 44.313,956 21.2,957 165.132,958 39.617,960 188.338,961 112.68,962 157.582,964 6.046,965 188.338,966 19.519,967 133.916,969 110.781,970 188.338,971 112.68,972 157.582,973 0.596,974 0.359,975 0.203,976 0.118,977 28,978 12,979 0.058,980 3,981 2,982 1.16,983 3.919,984 301.929,985 0.16,986 25,987 135.207,992 1,993 18.651,994 6.857,995 2.958,996 1.938,997 110.781,998 23.386,999 9.364,1003 1.923,1004 1.649,1005 32.897,1006 458.6,1007 49.5,1011 -3.917,1013 27.199,1020 48.323,1021 53.238,1022 0.295,1023 0.576,1024 0.707,1025 0.849,1026 0.885,1027 0.9,1028 5.175,1029 1.592,1030 6.075,1031 5.403,1032 4.635,1033 5.354,1034 2.913,1035 7.013,1036 4.523,1037 6.459,1038 1.414,1039 7.716,1040 4.583,1041 4.443,1042 5.46,1044 8.318,1045 4.18,1046 7.837,1047 1.403,1048 9.476,1049 3.726,1050 6.375,1051 7.795,1052 5.027,1053 11.485,1054 6.092,1055 9.262,1056 1.113,1057 11.311,1058 3.004,1059 7.031,1060 8.741,1062 13.658,1063 6.561,1064 10.727,1065 1,1066 13.195,1067 2.809,1068 8.493,1069 10.587,1070 7.185,1071 16.438,1072 7.985,1073 12.22,1074 1,1075 15.115,1076 2.275,1077 9.511,1078 11.903,1080 18.922,1081 8.821,1082 13.737,1083 0.444,1084 17.061,1085 2.136,1086 10.823,1087 13.576,1088 9.348,1089 21.606,1090 10.061,1091 3.65,1092 -0.095,1093 19.028,1094 1.208,1095 11.992,1096 15.053,1098 24.201,1099 11.067,1100 3.169,1101 14.499,1102 21.01,1103 -0.245,1104 13.263,1105 16.67,1106 11.511,1107 26.865,1108 12.241,1109 2.82,1110 11.614,1111 23.005,1112 5.079,1113 14.493,1114 18.216,1116 29.502,1117 13.326,1118 2.477,1119 9.242,1120 25.01,1121 4.557,1122 15.76,1123 19.818,1124 13.675,1125 32.164,1126 14.481,1127 2.321,1128 8.085,1129 27.024,1130 4.075,1131 17.016,1132 21.396,1134 34.819,1135 15.604,1136 1.927,1137 6.689,1138 29.044,1139 3.49,1140 18.287,1141 22.996,1142 15.838,1143 37.484,1144 16.757,1145 1.864,1146 6.03,1147 31.07,1148 3.346,1149 19.558,1150 24.59,1152 40.147,1153 17.9,1154 9773,1155 16158,1156 22.77,1157 34.909,1158 52.849,1159 54.285,1160 54.217,1161 52.53,1162 52.389,1163 75.531,1164 5.9,1165 162.605,1166 49.835,1167 5.864,1168 7.366,1169 7.628,1170 5.685,1171 5.65,1172 8.079,1173 5.9,1174 23.14,1175 5.255,1176 13.446,1177 1.554,1178 1.597,1179 1.595,1180 1.545,1181 1.541,1182 2.221,1183 0.174,1184 4.782,1185 1.466,1186 4.249,1187 4.263,1188 4.766,1189 4.205,1190 7.715,1191 4.156,1192 3.995,1193 3.996,1194 4.097,1195 3.943,1196 6.999,1197 3.919,1198 3.889,1199 3.922,1200 3.831,1201 3.821,1202 5.204,1203 3.818,1204 3.75,1205 3.772,1206 3.736,1207 3.697,1208 4.956,1209 3.673,1210 3.505,1211 3.496,1212 3.567,1213 3.406,1214 4.738,1215 3.359,1216 3.108,1217 3.195,1218 3.016,1219 2.914,1220 4.701,1221 2.927,1222 3.039,1223 3.113,1224 2.893,1225 2.866,1226 4.431,1227 2.854,1228 2.953,1229 3.017,1230 2.837,1231 2.796,1232 4.122,1233 2.783,1234 0.15,1235 0.158,1236 0.23,1237 0.134,1238 0.107,1239 5.089,1240 0.149,1241 5.366,1242 0.087,1243 7.826,1244 0.426,1245 4.539,1246 0.096,1247 3.65,1248 5.079,1249 2.95,1250 14.499,1251 3.255,1252 2.032,1253 2.032,1254 2.077,1255 2.137,1256 1.247,1257 2.127,1258 1.974,1259 1.958,1260 2.028,1261 2.042,1262 1.149,1263 2.072,1264 1.891,1265 1.86,1266 2.007,1267 1.981,1268 1.08,1269 1.993,1270 1.643,1271 1.65,1272 1.595,1273 1.737,1274 0.902,1275 1.77,1276 1.436,1277 1.389,1278 1.53,1279 1.622,1280 0.619,1281 1.609,1282 1.23,1283 1.182,1284 1.49,1285 1.435,1286 0.549,1287 1.461,1288 0.961,1289 0.916,1290 1.181,1291 1.215,1292 0.218,1293 1.251,1294 0.919,1295 0.859,1296 1.181,1297 1.12,1298 0.218,1299 1.134,1300 4.234,1302 5.609,1303 2.398,1304 7.197,1305 4.949,1306 8.879,1307 7.248,1308 10.612,1310 1.906,1313 6.468,1326 33.39,1327 78.978,1328 154.357,1329 189.608,1330 227.714,1331 237.323,1332 241.323,1333 55.499,1334 8.138,1335 90.87,1336 99.25,1337 29,1338 13.101,1339 4.907,1340 4.044,1341 41.1,1342 99,1343 120,1344 0.205,1345 205.599,1346 338.57,1347 493.422,1348 36060,1350 20.88,1351 0.696,1352 0.566,1353 21.13,1354 16.966,1355 14.464,1356 0.425,1357 0.32,1358 9.446,1359 13.354,1360 9.077,1361 7.537,1362 15.253,1363 10.888,1364 13.742,1365 0.269,1366 0.176,1367 15.024,1368 8.973,1369 12.017,1370 0.165,1371 0.095,1372 13.355,1373 6.9,1374 10.632,1375 0.102,1376 0.049,1377 11.99,1378 5.063,1379 8.882,1380 0.063,1381 0.027,1382 10.09,1383 3.77,1384 0.305,1385 97.278,1386 0.21,1387 27.349,1388 0.618,1389 170,1390 472.579,1391 221.967,1392 490.399,1393 687.35,1394 454,1395 209,1396 502.457,1397 272.925,1398 548.778,1399 815.76,1400 517,1401 4.544}
{0 CHEMBL1537039,1 1.964,2 11.333,3 3.712,4 13.781,5 102.72,6 11.032,7 0.586,8 3.857,9 3.923,10 3.877,11 3.45,12 5.095,13 3.436,14 4.34,15 4.43,16 4.254,17 3.801,18 5.827,19 3.782,20 4.51,21 4.618,22 4.406,23 3.917,24 5.941,25 3.875,26 4.589,27 4.7,28 4.394,29 3.812,30 6.18,31 3.81,32 4.499,33 4.646,34 3.984,35 3.641,36 5.953,37 3.642,38 4.295,39 4.438,40 4.082,41 3.623,42 5.717,43 3.586,44 4.321,45 4.462,46 4.033,47 3.587,48 5.872,49 3.54,50 4.247,51 4.405,52 4.111,53 3.493,54 5.636,55 3.437,56 0.205,57 0.611,58 4.112,59 3.901,60 24.47,61 3.284,62 0.629,63 0.915,64 8.157,65 6.238,66 60.364,67 5.742,68 0.63,69 1.079,70 18.189,71 8.286,72 54.025,73 6.963,74 0.882,75 1.074,76 33.247,77 9.397,78 98.343,79 7.004,80 1.018,81 0.949,82 21.077,83 7.246,84 122.212,85 5.741,86 0.619,87 0.868,88 11.213,89 5.841,90 65.888,91 5.71,92 0.682,93 0.857,94 20.766,95 6.85,96 98.881,97 6.025,98 0.617,99 0.774,100 24.417,101 6.454,102 68.793,103 5.013,104 38,105 42,106 0.34,107 0.651,108 0.746,109 0.85,110 0.858,111 0.858,112 3.34,113 1.012,114 -4.09,115 -4.04,116 -3.82,118 1,120 41.5,125 1,143 9,144 1,145 3,148 1,154 1,159 1,164 1,165 1,166 1,167 1,174 6,176 5,177 7,179 1,180 1,182 1,185 8,187 1,188 3,189 10,191 1,192 1,197 6,200 1,201 18,203 3,204 3,209 2,213 3,214 6,219 2,222 3,224 2,226 3,227 6,229 1,230 1,232 3,235 5,237 3,239 3,240 8,245 1,247 1,249 1,252 6,254 1,255 1,257 3,260 2,262 3,263 1,264 8,269 1,271 4,273 1,274 1105,275 17.712,276 17.712,277 17.712,278 17.712,279 17.712,280 15.258,281 17.452,282 10.152,283 18.353,284 14.192,285 14.192,286 14.192,287 14.192,288 14.192,289 10.39,290 17.85,291 4.687,292 15.208,293 3.394,294 1.605,295 1.056,296 0.457,297 0.409,298 0.409,299 4.012,306 1,307 1,308 644,309 3.808,312 81.995,313 198.989,320 1.901,321 45.757,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 60.25,333 306,334 5.002,335 4.721,336 7.722,337 4.484,338 3.554,339 4.902,340 1.674,341 13.894,342 3.282,343 4.327,344 3.719,345 6.397,346 3.925,347 2.972,348 3.93,349 0.86,350 9.681,351 2.809,352 4.114,353 2.993,354 6.053,355 3.636,356 2.7,357 3.76,359 8.445,360 2.519,361 3.861,362 2.859,363 5.37,364 3.4,365 2.46,366 3.395,368 6.922,369 2.302,370 3.453,371 2.796,372 5.232,373 3.005,374 2.095,375 2.71,377 6.221,378 1.875,379 3.164,380 2.241,381 4.834,382 2.702,383 1.747,384 2.39,386 4.966,387 1.651,388 3.016,389 1.756,390 4.625,391 2.536,392 1.584,393 2.177,395 4.47,396 1.497,397 2.86,398 1.658,399 3.924,400 2.34,401 1.414,402 2.013,404 3.052,405 1.203,406 2.534,407 1.315,408 3.773,409 2.013,410 1.019,411 1.5,413 2.696,414 1.003,415 2.5,416 1.207,417 3.563,418 2,419 1,420 1.487,422 2.467,423 1,424 2.407,425 1,426 3.414,427 1.879,428 0.898,429 1.321,431 2.275,432 0.876,433 1.652,434 0.906,435 3.006,436 1.346,437 0.48,438 0.544,440 0.733,441 0.412,442 1.095,443 0.637,444 2.728,445 0.674,446 -0.164,447 -0.194,449 -0.387,450 -0.1,451 1.027,452 0.353,453 2.643,454 0.519,455 -0.406,456 -0.534,458 -0.972,459 -0.335,460 1,461 0.197,462 2.414,463 0.375,464 -0.543,465 -0.679,467 -1.062,468 -0.486,469 13.533,470 0.501,471 0.848,472 0.031,473 39,474 1.444,475 22,476 0.815,477 17,478 0.63,479 19.797,480 0.733,481 28.467,482 0.694,483 30.705,484 1.137,485 7.663,486 0.284,487 5.16,488 0.191,489 0.239,490 0.062,491 0.288,496 0.67,497 1.169,498 0.532,499 1.025,500 0.726,501 0.809,502 0.721,503 1.027,504 0.6,505 0.784,506 0.612,507 0.777,508 1.026,509 1.116,510 1.023,511 1.081,512 0.888,513 0.944,514 1.295,515 1.216,516 1.224,517 1.366,518 1.354,519 1.1,520 1.502,521 0.889,522 0.668,523 0.66,524 1.767,525 0.811,526 0.658,527 1.141,528 0.622,529 0.868,530 0.718,531 0.936,532 0.973,533 1.182,534 0.999,535 1.122,536 0.856,537 1.038,538 1.347,539 0.92,540 0.616,541 0.756,542 1.382,543 0.833,544 7,545 0.103,546 4.222,547 2.972,548 1.619,549 1.167,550 0.609,551 0.517,552 0.375,553 0.21,554 8464,555 32232,556 1.984,557 34.1,559 12,562 2,567 1.7,568 1.81,569 3.443,570 0.377,572 1,575 80.505,576 1.964,577 3.752,578 4.302,579 4.9,580 4.949,581 4.949,582 2.967,583 4.459,584 4.724,585 3.604,586 1265.03,587 8.2,588 16153.7,590 1,593 219.66,594 1.698,595 4.65,596 0.241,597 0.006,598 0.101,599 0.068,600 0.039,601 0.035,602 0.019,603 0.017,604 0.014,605 0.009,606 0.55,607 0.33,608 1,609 0.834,610 133.972,611 0.013,612 -0.027,613 0.034,614 -0.087,615 -0.177,616 0.015,617 0.21,618 0.031,619 0.043,620 0.102,621 0.174,622 0.065,623 -0.07,624 -0.043,625 -0.047,626 -0.038,627 0.013,628 -0.038,629 -0.095,630 -0.201,631 -0.106,632 -0.293,633 0.01,634 -0.181,635 -0.22,636 0.064,637 -0.044,638 0.16,639 -0.308,640 0.084,641 0.206,642 -0.082,643 0.062,644 -0.008,645 0.078,646 -0.031,647 0.037,648 -0.143,649 -0.062,650 -0.111,651 0.215,652 -0.087,653 -0.244,654 0.102,655 0.157,656 0.198,657 -0.171,658 0.115,659 4.975,660 5.709,661 0.63,662 25.473,663 1.038,664 1.117,665 2.861,666 8.183,667 0.728,668 3.401,669 3.761,670 4.025,671 4.234,672 4.344,673 4.407,674 4.477,675 4.466,676 4.533,677 4.522,678 6.515,679 0.708,680 452.31,681 3.401,682 4.963,683 5.82,684 6.713,685 7.587,686 8.485,687 9.367,688 10.268,689 11.155,690 12.058,691 7.3,695 1,699 1,701 1,709 9,710 1,714 6,715 1,716 17,726 1,728 1,735 1,737 1,738 41,739 20,740 2,741 29,742 1,743 43,744 17,745 15,746 4,747 8,748 1,752 3,753 3,768 16,769 1,772 3,776 1,778 3,782 1,786 1,789 14,790 7,791 2,792 10,793 2,797 3,803 1,804 5,814 1,822 1,823 2,855 3,857 1,858 1,859 1,862 27,863 1,866 1,872 2,885 1,886 12.2,889 3,891 2,893 14.917,894 7.626,895 5.917,896 2.07,898 2.931,899 1.414,900 0.988,901 5.671,902 10.014,903 3.726,904 4.385,905 4.948,906 5.478,907 5.868,908 6.087,909 6.355,910 6.472,911 6.807,912 7.098,913 0.875,914 44,915 10.288,917 4.773,918 8.179,919 18.128,921 14.589,924 2.679,925 72.333,928 1,929 141.253,930 129.345,931 95.685,933 91.458,935 5.807,936 169.492,937 232.711,938 49.731,939 10.883,941 123.991,942 93.312,943 37.533,944 4.815,945 141.253,946 45.954,947 141.253,948 173.269,949 91.458,950 5.807,951 45.954,952 141.253,953 91.458,956 2.499,957 154.107,958 22.47,959 45.954,960 141.253,961 141.189,962 175.3,964 5.807,965 141.253,966 27.369,967 96.34,968 45.954,969 141.018,970 141.253,971 141.189,972 175.3,973 0.593,974 0.356,975 0.181,976 0.086,977 20,978 10,979 0.14,980 6,982 1,983 3.757,984 227.778,986 17,987 122.382,992 1,993 19.576,994 7.822,995 4.064,997 141.018,998 13.539,999 3.81,1003 0.843,1004 0.609,1005 32.897,1006 457.741,1007 40.5,1011 -4.058,1013 37.658,1017 -0.7,1020 42.549,1021 45.795,1022 0.367,1023 0.7,1024 0.803,1025 0.915,1026 0.924,1027 0.924,1028 4.972,1029 1.414,1030 5.861,1031 4.47,1032 4.443,1033 5.072,1034 2.09,1035 6.749,1036 4.309,1037 6.237,1038 1.019,1039 7.486,1040 3.052,1041 4.29,1042 5.19,1044 8.044,1045 4.038,1046 7.603,1047 1,1048 9.23,1049 2.696,1050 6.159,1051 7.421,1052 2.88,1053 11.132,1054 5.888,1055 9.016,1056 0.898,1057 11.05,1058 2.467,1059 6.825,1060 8.368,1062 13.296,1063 6.434,1064 10.466,1065 0.48,1066 12.921,1067 2.275,1068 8.244,1069 10.141,1070 3.826,1071 16.029,1072 7.822,1073 11.946,1074 -0.164,1075 14.831,1076 0.733,1077 9.251,1078 11.441,1080 18.498,1081 8.718,1082 13.448,1083 -0.406,1084 16.769,1085 -0.387,1086 10.532,1087 13.067,1088 4.83,1089 21.149,1090 9.948,1091 3.554,1092 -0.543,1093 18.729,1094 -0.972,1095 11.68,1096 14.521,1098 23.723,1099 10.997,1100 2.972,1101 13.894,1102 20.707,1103 -1.062,1104 12.927,1105 16.104,1106 5.852,1107 26.356,1108 12.177,1109 2.7,1110 9.681,1111 22.698,1112 4.902,1113 14.134,1114 17.626,1116 28.965,1117 13.293,1118 2.46,1119 8.445,1120 24.7,1121 3.93,1122 15.377,1123 19.2,1124 6.88,1125 31.596,1126 14.461,1127 2.095,1128 6.922,1129 26.711,1130 3.76,1131 16.611,1132 20.755,1134 34.218,1135 15.608,1136 1.747,1137 6.221,1138 28.729,1139 3.395,1140 17.86,1141 22.331,1142 7.91,1143 36.848,1144 16.777,1145 1.584,1146 4.966,1147 30.751,1148 2.71,1149 19.107,1150 23.902,1152 39.476,1153 17.941,1154 8346,1155 16484,1156 18.493,1157 29.858,1158 44.263,1159 46.049,1160 46.31,1161 44.105,1162 43.848,1163 60.26,1164 5.069,1165 131.64,1166 40.854,1167 5.84,1168 6.721,1169 7.407,1170 5.574,1171 5.554,1172 7.902,1173 3.349,1174 22.181,1175 5.282,1176 16.044,1177 1.526,1178 1.588,1179 1.597,1180 1.521,1181 1.512,1182 2.078,1183 0.175,1184 4.539,1185 1.409,1186 4.15,1187 4.142,1188 6.88,1189 4.099,1190 7.716,1191 4.02,1192 3.917,1193 3.928,1194 4.77,1195 3.879,1196 7.433,1197 3.86,1198 3.819,1199 3.854,1200 3.815,1201 3.679,1202 6.999,1203 3.694,1204 3.507,1205 3.472,1206 3.75,1207 3.387,1208 5.165,1209 3.335,1210 3.241,1211 3.262,1212 3.639,1213 3.01,1214 4.848,1215 3.043,1216 3.169,1217 3.212,1218 3.197,1219 2.903,1220 4.744,1221 2.895,1222 2.871,1223 2.952,1224 2.997,1225 2.866,1226 4.665,1227 2.79,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.326,1233 2.715,1234 0.172,1235 0.163,1236 0.266,1237 0.155,1238 0.123,1239 5.002,1240 0.169,1241 4.721,1242 0.058,1243 7.722,1244 0.479,1245 4.484,1246 0.113,1247 3.554,1248 4.902,1249 1.674,1250 13.894,1251 3.282,1252 1.959,1253 1.972,1254 1.971,1255 2.041,1256 1.173,1257 2.071,1258 1.892,1259 1.877,1260 1.965,1261 1.964,1262 1.079,1263 1.974,1264 1.573,1265 1.569,1266 1.613,1267 1.785,1268 0.73,1269 1.775,1270 1.413,1271 1.402,1272 1.567,1273 1.634,1274 0.578,1275 1.605,1276 1.179,1277 1.119,1278 1.33,1279 1.499,1280 0.488,1281 1.505,1282 1.078,1283 1.05,1284 1.181,1285 1.334,1286 0.235,1287 1.319,1288 0.888,1289 0.837,1290 1.165,1291 1.154,1292 0.218,1293 1.141,1294 0.886,1295 0.83,1296 1.046,1297 1.062,1298 0.172,1299 1.107,1300 4.078,1302 5.425,1303 2.398,1304 6.967,1305 4.727,1306 8.593,1307 6.823,1308 10.263,1309 3.247,1310 1.473,1313 5.761,1318 10.153,1326 29.011,1327 80.505,1328 153.846,1329 176.375,1330 200.905,1331 202.905,1332 202.905,1333 66.104,1334 7.083,1335 113.51,1336 121.89,1337 17,1338 12.581,1339 4.392,1340 3.644,1341 47.05,1342 105,1343 115,1344 0.221,1345 188.722,1346 323.86,1347 452.243,1348 10628,1349 2.4,1350 19.604,1351 0.726,1352 0.607,1353 20.854,1354 16.398,1355 12.824,1356 0.442,1357 0.337,1358 7.565,1359 10.894,1360 7.237,1361 6.01,1362 14.19,1363 9.779,1364 12.007,1365 0.286,1366 0.189,1367 14.049,1368 7.922,1369 10.025,1370 0.182,1371 0.107,1372 12.091,1373 5.865,1374 8.116,1375 0.119,1376 0.057,1377 10.057,1378 3.869,1379 5.572,1380 0.073,1381 0.031,1382 6.915,1383 2.338,1384 0.347,1385 97.922,1386 0.233,1387 25.938,1388 0.607,1389 142,1390 538.795,1391 268.027,1392 565.197,1393 746.4,1394 518,1395 168,1396 493.12,1397 271.146,1398 543.103,1399 795.98,1400 506,1401 4.74}
{0 CHEMBL1537098,1 1.499,2 10.273,3 3.341,4 11.162,5 81.555,6 7.35,7 0.478,8 3.791,9 3.895,10 3.319,11 3.311,12 4.978,13 3.294,14 4.295,15 4.452,16 3.703,17 3.68,18 5.542,19 3.648,20 4.555,21 4.716,22 3.673,23 3.795,24 5.763,25 3.722,26 4.713,27 4.97,28 3.583,29 3.741,30 5.776,31 3.647,32 4.443,33 4.661,34 3.41,35 3.547,36 5.627,37 3.464,38 4.204,39 4.398,40 3.339,41 3.309,42 5.473,43 3.287,44 4.153,45 4.356,46 3.107,47 3.253,48 5.387,49 3.189,50 4.003,51 4.225,52 3.028,53 3.229,54 5.055,55 3.135,56 0.06,57 0.537,58 8.39,59 3.976,60 10.823,61 4.905,62 0.237,63 0.84,64 15.202,65 6.482,66 46.227,67 8.464,68 0.408,69 1.033,70 20.577,71 7.902,72 52.887,73 10.19,74 0.481,75 1.1,76 27.345,77 8.791,78 58.874,79 12.24,80 0.29,81 0.859,82 19.74,83 6.967,84 56.278,85 9.325,86 0.286,87 0.683,88 15.518,89 4.88,90 46.693,91 6.372,92 0.466,93 0.657,94 15.135,95 4.297,96 62.382,97 5.659,98 0.178,99 0.568,100 12.457,101 4.791,102 33.845,103 6.412,104 42,105 33,106 0.266,107 0.623,108 0.714,109 0.764,110 0.764,111 0.764,112 3.145,113 0.91,114 -3.34,115 -3.33,116 -3.19,120 41.5,121 3,122 1,124 1,143 6,144 1,145 1,153 2,159 2,168 1,172 1,174 9,175 1,177 4,180 2,182 3,185 10,186 1,188 1,189 5,192 1,194 4,197 8,198 2,201 5,206 4,209 3,210 2,214 7,219 4,222 2,227 6,232 3,233 1,235 4,240 2,243 1,244 1,247 5,252 1,253 1,260 10,263 1,265 1,267 1,271 8,272 1,274 638,275 13.85,276 13.85,277 13.85,278 13.85,279 13.85,280 12.272,281 19.101,282 8.021,283 13.888,284 11.351,285 11.351,286 11.351,287 11.351,288 11.351,289 8.902,290 22.749,291 3.837,292 11.399,293 3.858,294 1.849,295 1.336,296 1.056,297 1.056,298 1.056,299 3.796,305 1,306 1,307 1,308 459,309 4,312 70.329,313 80.969,320 1.752,321 27.54,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48.5,333 226,334 4.492,335 3.635,336 7.12,337 4.333,338 3.333,339 3.982,340 2.397,341 11.71,342 3.333,343 4.121,344 3.616,345 6.055,346 3.813,347 2.817,348 3.656,349 1.058,350 8.72,351 2.802,352 3.975,353 3.492,354 5.523,355 3.631,356 2.628,357 3.271,358 0.242,359 7.475,360 2.629,361 3.617,362 2.712,363 5.206,364 3.274,365 2.287,366 2.882,368 6.59,369 2.246,370 3.29,371 2.314,372 4.655,373 2.876,374 1.875,375 2.472,377 4.875,378 1.858,379 3.092,380 2.153,381 4.397,382 2.684,383 1.671,384 2.23,386 4.469,387 1.683,388 2.5,389 1.249,390 3.888,391 2,392 1,393 1.5,395 2.694,396 1,397 2.391,398 1,399 3.414,400 1.956,401 0.948,402 1.297,404 2.275,405 0.95,406 2.153,407 0.881,408 3.271,409 1.663,410 0.662,411 0.98,413 1.631,414 0.662,415 1.484,416 0.689,417 2.813,418 1.149,419 0.146,420 0.181,422 0.348,423 0.145,424 0.921,425 0.534,426 2.567,427 0.565,428 -0.449,429 -0.549,431 -1.192,432 -0.445,433 0.536,434 0.161,435 2.359,436 0.059,437 -1,438 -1,440 -2,441 -0.935,442 0.5,443 -0.454,444 2,446 -1,447 -1,449 -2.39,450 -1,451 0.289,452 -0.861,453 2,455 -1,456 -1.206,458 -3,459 -1,460 0.186,461 -1,462 2,464 -1,465 -1.409,467 -3,468 -1,469 10.233,470 0.465,471 0.833,472 0.038,473 26.75,474 1.216,475 13.5,476 0.614,477 13.25,478 0.602,479 17.655,480 0.803,481 24.567,482 0.599,483 19.503,484 0.886,485 5.274,486 0.24,487 4.98,488 0.226,489 0.244,490 0.049,491 0.293,496 0.777,497 1.19,498 0.819,499 1.101,500 0.698,501 0.986,502 0.519,503 1.108,504 0.671,505 1.035,506 0.412,507 0.912,508 0.983,509 1.312,510 1.219,511 1.307,512 0.925,513 1.314,514 1.033,515 0.825,516 0.863,517 0.785,518 0.668,519 0.784,520 1.039,521 1.11,522 1,523 1.099,524 1.174,525 1.052,526 1.424,527 1.101,528 1.01,529 0.947,530 1.369,531 0.893,532 1.573,533 0.673,534 1.398,535 0.729,536 1.688,537 0.952,538 0.818,539 0.857,540 0.891,541 0.916,542 0.954,543 0.92,544 7,545 0.12,546 2.667,547 1.278,548 1.567,549 0.625,550 0.394,551 0.325,552 0.219,553 0.139,554 4872,555 14762,556 1.908,557 46.3,558 9,559 6,562 2,563 2,567 1.639,568 1.725,569 3.328,570 0.304,571 1,572 1,574 1,575 61.462,576 1.499,577 3.508,578 4.021,579 4.302,580 4.302,581 4.302,582 2.738,583 3.641,584 4.428,585 3.518,586 812.695,587 7.578,588 9252.22,589 1,590 1,592 1,593 219.66,594 1.753,595 4.338,596 0.304,597 0.012,598 0.081,599 0.044,600 0.058,601 0.028,602 0.019,603 0.02,604 0.014,605 0.009,606 0.59,607 0.33,608 1,609 1.231,610 103.144,611 -0.07,612 -0.01,613 0.008,614 0.013,615 -0.1,616 0.026,617 0.212,618 -0.017,619 0.211,620 0.03,621 0.214,622 0.102,623 -0.019,624 -0.256,625 -0.297,626 -0.293,627 -0.087,628 -0.349,629 -0.078,630 0.1,631 0.15,632 0.151,633 0.04,634 0.194,635 -0.082,636 -0.154,637 -0.024,638 -0.124,639 -0.08,640 -0.072,641 -0.193,642 -0.097,643 0.005,644 -0.011,645 -0.128,646 0.031,647 -0.266,648 0.404,649 -0.371,650 0.157,651 -0.312,652 -0.075,653 -0.052,654 0.114,655 0.047,656 0.099,657 -0.073,658 0.097,659 2.554,660 5.118,661 0.5,662 20,663 1.009,664 1.124,665 2.113,666 4.466,667 0.651,668 3.178,669 3.526,670 3.638,671 3.807,672 3.932,673 3.97,674 3.892,675 3.912,676 3.892,677 3.85,678 6.2,679 0.625,680 301.37,681 3.178,682 4.727,683 5.533,684 6.409,685 7.239,686 8.112,687 8.953,688 9.824,689 10.671,690 11.542,691 2.4,698 1,709 6,712 1,714 4,716 11,723 1,738 41,739 13,740 1,741 23,743 42,744 17,745 10,746 2,747 4,748 1,752 2,753 2,759 3,760 1,766 1,768 12,769 5,772 2,778 2,782 2,785 1,786 1,788 1,789 19,790 5,791 2,792 5,797 1,803 1,804 4,822 1,823 1,840 1,853 1,855 2,859 3,862 22,868 1,869 1,871 1,876 1,886 9.8,888 1,889 2,891 1,893 12.75,894 8.2,895 4.694,896 2.3,898 2.033,899 1.318,900 0.899,901 4.718,902 8.428,903 3.45,904 4.021,905 4.456,906 4.962,907 5.324,908 5.493,909 5.551,910 5.784,911 5.955,912 6.204,913 0.857,914 29,915 8.125,917 3.411,918 8.08,919 15.054,921 11.951,924 2.58,925 56.75,929 200.109,930 108.322,931 18.011,933 102.481,936 108.322,937 302.589,938 18.011,939 26.476,940 20.545,941 56.857,942 98.588,943 15.45,944 10.898,945 200.109,947 200.109,948 126.333,949 102.481,952 200.109,953 102.481,956 47.021,957 79.312,960 200.109,961 120.491,962 108.322,965 200.109,966 24.989,967 83.333,968 18.011,969 102.481,970 200.109,971 120.491,972 108.322,973 0.597,974 0.307,975 0.148,976 0.08,977 15,978 8,979 0.119,980 5,982 1,983 3.37,984 158.684,986 11,987 89.353,993 16.308,994 6.365,995 4.463,997 120.491,998 10.131,1001 5.569,1003 2.264,1005 60.694,1006 428.922,1007 30.5,1013 22.736,1017 -1.219,1020 41.363,1021 46.073,1022 0.28,1023 0.655,1024 0.751,1025 0.803,1026 0.803,1027 0.803,1028 4.698,1029 0.948,1030 5.587,1031 2.694,1032 4.205,1033 4.705,1034 2.544,1035 6.409,1036 4.197,1037 5.938,1038 0.662,1039 7.172,1040 2.275,1041 4.111,1042 4.635,1043 2.243,1044 7.6,1045 4.105,1046 7.262,1047 0.146,1048 8.869,1049 1.631,1050 5.883,1051 6.836,1052 3.8,1053 10.531,1054 5.869,1055 8.617,1056 -0.449,1057 10.632,1058 0.348,1059 6.524,1060 7.476,1061 4.213,1062 12.509,1063 6.515,1064 9.998,1065 -1,1066 12.44,1067 -1.192,1068 7.886,1069 9.228,1070 5.365,1071 15.081,1072 7.871,1073 11.396,1074 -1,1075 14.28,1076 -2,1077 8.827,1078 10.193,1079 6.05,1080 17.354,1081 8.818,1082 12.809,1083 -1,1084 16.145,1085 -2.39,1086 10.057,1087 11.753,1088 7.045,1089 19.834,1090 10.044,1091 3.333,1092 -1,1093 18.028,1094 -3,1095 11.131,1096 12.89,1097 7.838,1098 22.22,1099 11.122,1100 2.817,1101 11.71,1102 19.927,1103 -3,1104 12.32,1105 14.355,1106 8.766,1107 24.678,1108 12.31,1109 2.628,1110 8.72,1111 21.837,1112 3.982,1113 13.455,1114 15.588,1115 9.604,1116 27.107,1117 13.447,1118 2.287,1119 7.475,1120 23.758,1121 3.656,1122 14.636,1123 17.004,1124 10.503,1125 29.563,1126 14.628,1127 1.875,1128 6.59,1129 25.686,1130 3.271,1131 15.8,1132 18.293,1133 11.361,1134 32.009,1135 15.794,1136 1.671,1137 4.875,1138 27.62,1139 2.882,1140 16.983,1141 19.684,1142 12.247,1143 34.466,1144 16.978,1145 1,1146 4.469,1147 29.559,1148 2.472,1149 18.162,1150 21.005,1151 13.113,1152 36.92,1153 18.158,1154 5016,1155 8866,1156 14.216,1157 26.676,1158 35.708,1159 36.422,1160 35.408,1161 34.757,1162 34.732,1163 44.902,1164 7.396,1165 101.575,1166 34.616,1167 5.329,1168 5.635,1169 6.535,1170 5.353,1171 5.333,1172 6.982,1173 4.03,1174 18.759,1175 5.333,1176 14.572,1177 1.553,1178 1.584,1179 1.539,1180 1.511,1181 1.51,1182 1.952,1183 0.322,1184 4.416,1185 1.505,1186 4.007,1187 4.023,1188 3.96,1189 3.893,1190 7.474,1191 3.901,1192 3.907,1193 3.929,1194 3.846,1195 3.814,1196 7.429,1197 3.82,1198 3.59,1199 3.636,1200 3.481,1201 3.439,1202 6.351,1203 3.438,1204 3.464,1205 3.483,1206 3.376,1207 3.251,1208 5.017,1209 3.275,1210 3.172,1211 3.201,1212 3.095,1213 2.899,1214 4.733,1215 2.945,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 4.213,1221 2.715,1222 2.874,1223 3.009,1224 2.683,1225 2.618,1226 3.913,1227 2.575,1228 2.854,1229 2.925,1230 2.499,1231 2.618,1232 3.674,1233 2.57,1234 0.195,1235 0.158,1236 0.31,1237 0.188,1238 0.145,1239 4.492,1240 0.173,1241 3.635,1242 0.104,1243 7.12,1244 0.509,1245 4.333,1246 0.145,1247 3.333,1248 3.982,1249 2.397,1250 11.71,1251 3.333,1252 1.922,1253 1.896,1254 2.032,1255 2.021,1256 1.207,1257 2.024,1258 1.779,1259 1.737,1260 1.991,1261 1.925,1262 1.168,1263 1.947,1264 1.534,1265 1.519,1266 1.65,1267 1.738,1268 0.732,1269 1.7,1270 1.353,1271 1.328,1272 1.543,1273 1.582,1274 0.66,1275 1.556,1276 1.151,1277 1.12,1278 1.417,1279 1.391,1280 0.469,1281 1.383,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.312,1291 1.239,1292 0.28,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.159,1298 0.218,1299 1.107,1300 3.85,1302 5.187,1303 2.398,1304 6.681,1305 4.595,1306 8.244,1307 6.629,1308 9.843,1310 6.026,1314 8.716,1315 -0.04,1317 2.723,1322 -0.156,1326 25.622,1327 61.462,1328 143.831,1329 164.866,1330 176.375,1331 176.375,1332 176.375,1333 52.459,1334 6.395,1335 79.54,1336 79.54,1337 11,1338 12.089,1339 3.807,1340 3.087,1341 42.572,1342 82,1343 76,1344 0.259,1345 161.341,1346 283.82,1347 385.432,1348 4320,1350 16.328,1351 0.742,1352 0.584,1353 16.328,1354 12.843,1355 10.253,1356 0.446,1357 0.303,1358 6.892,1359 9.86,1360 6.579,1361 5.554,1362 10.253,1363 6.979,1364 10.365,1365 0.314,1366 0.186,1367 10.365,1368 6.135,1369 6.979,1370 0.189,1371 0.085,1372 6.979,1373 3.136,1374 5.408,1375 0.123,1376 0.044,1377 5.408,1378 1.936,1379 3.962,1380 0.079,1381 0.024,1382 3.962,1383 1.19,1384 0.413,1385 64.475,1386 0.265,1387 22.06,1388 0.689,1389 112,1390 367.689,1391 124.904,1392 350.143,1393 459.78,1394 322,1395 126,1396 326.829,1397 137.799,1398 330.207,1399 473.46,1400 307,1401 6.796}
{0 CHEMBL1537197,1 1.402,2 9.944,3 4.124,4 17.007,5 74.353,6 6.732,7 0.579,8 3.648,9 3.777,10 3.129,11 3.183,12 4.694,13 3.142,14 4.147,15 4.333,16 3.364,17 3.492,18 5.124,19 3.418,20 4.336,21 4.59,22 3.234,23 3.475,24 5.219,25 3.357,26 4.194,27 4.45,28 3.063,29 3.333,30 5.058,31 3.21,32 4.073,33 4.325,34 3.015,35 3.304,36 4.916,37 3.175,38 4.012,39 4.243,40 3.018,41 3.329,42 4.879,43 3.197,44 4.063,45 4.32,46 2.82,47 3.258,48 4.892,49 3.089,50 3.909,51 4.208,52 2.51,53 2.955,54 4.653,55 2.755,56 0.034,57 0.498,58 8.102,59 3.348,60 6.606,61 4.635,62 0.101,63 0.757,64 14.066,65 5.259,66 14.815,67 7.411,68 0.209,69 0.831,70 17.8,71 6.097,72 23.23,73 8.747,74 0.163,75 0.715,76 15.393,77 5.262,78 20.132,79 7.606,80 0.174,81 0.642,82 13.429,83 5.039,84 17.17,85 7.216,86 0.064,87 0.645,88 12.165,89 4.947,90 11.84,91 7.127,92 0.099,93 0.644,94 13.138,95 4.988,96 15.373,97 7.264,98 0.132,99 0.508,100 11.517,101 4.222,102 14.275,103 6.251,104 6,105 23,106 0.257,107 0.592,108 0.775,109 0.854,110 0.854,111 0.854,112 2.957,113 0.992,114 -3.58,115 -3.55,116 -3.38,120 41.7,121 1,122 2,126 1,143 6,145 2,152 1,153 1,156 1,174 5,177 5,182 2,185 3,189 6,192 1,197 2,201 2,209 2,213 1,219 2,222 6,232 2,235 8,240 1,247 4,252 2,255 1,264 2,274 390,275 12.56,276 12.56,277 12.56,278 12.56,279 12.56,280 11.11,281 12.243,282 8.033,283 12.822,284 9.381,285 9.381,286 9.381,287 9.381,288 9.381,289 7.236,290 14.981,291 3.833,292 9.803,293 3.768,294 1.946,295 0.952,296 0.521,297 0.521,298 0.521,299 3.621,306 1,307 1,308 372,309 2.739,312 57.132,313 63.556,320 1.951,321 8.404,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 38,333 179,334 4.088,335 2.932,336 5.51,337 3.641,338 2.68,339 3.699,340 0.86,341 7.44,342 2.574,343 3.931,344 2.716,345 5.347,346 3.48,347 2.521,348 3.508,349 0.6,350 6.987,351 2.418,352 3.523,353 2.41,354 5.104,355 3.125,356 2.191,357 2.836,359 6.306,360 2.037,361 2.815,362 1.783,363 3.627,364 2.585,365 1.608,366 1.875,368 3.119,369 1.568,370 2.634,371 1.478,372 3.511,373 2.27,374 1.297,375 1.639,377 2.785,378 1.259,379 2.5,380 1.067,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.225,389 1,390 3.031,391 1.73,392 0.805,393 0.971,395 1.547,396 0.737,397 2.118,398 0.845,399 3,400 1.568,401 0.618,402 0.927,404 1.372,405 0.585,406 1.808,407 0.618,408 2.764,409 1.463,410 0.521,411 0.701,413 1.061,414 0.489,415 1.115,416 0.12,417 2.167,418 0.829,419 -0.122,420 -0.141,422 -0.224,423 -0.115,424 0.573,425 -0.389,426 2,427 0.369,428 -0.582,429 -0.666,431 -1.131,432 -0.551,433 0.5,434 -0.825,435 1.834,437 -1,438 -1.203,440 -2.441,441 -0.987,442 0.251,443 -1,444 1.187,445 -0.076,446 -1.038,447 -1.5,449 -2.801,450 -1,451 -0.118,452 -1.165,453 1,454 -0.417,455 -1.38,456 -1.609,458 -3,459 -1.312,460 -0.188,461 -1.496,462 0.783,463 -0.649,464 -1.618,465 -2.028,467 -3.873,468 -1.513,469 8.633,470 0.48,471 0.205,472 0.011,473 23.5,474 1.306,475 12.5,476 0.694,477 11,478 0.611,479 11.391,480 0.633,481 19.567,482 0.544,483 13.377,484 0.743,485 4.6,486 0.256,487 4.281,488 0.238,489 0.058,491 0.174,496 0.929,497 1.315,498 0.897,499 1.15,500 0.899,501 1.037,502 1.269,503 1.281,504 1.028,505 1.152,506 0.996,507 1.081,508 1.424,509 0.917,510 1.02,511 0.923,512 1.162,513 0.931,514 1.464,515 0.968,516 1.028,517 0.917,518 1.367,519 0.929,520 0.959,521 0.805,522 0.912,523 0.828,524 0.945,525 0.867,526 0.544,527 1.132,528 0.978,529 1.137,530 0.654,531 1.107,532 0.827,533 1.085,534 1.127,535 1.149,536 1.113,537 1.164,538 0.533,539 0.933,540 0.9,541 1.015,542 0.832,543 1,544 2.5,545 0.02,546 1.111,547 0.222,548 0.507,549 0.267,550 0.13,551 0.149,552 0.079,553 0.025,554 3204,555 7077,556 2.059,557 50,558 5,559 8,560 1,561 1,562 1,564 2,567 1.576,568 2,569 3.304,570 -0.334,572 1,575 50.455,576 1.402,577 3.224,578 4.218,579 4.649,580 4.649,581 4.649,582 2.753,583 3.572,584 4.133,585 3.458,586 529.127,587 6.97,588 5311.47,590 1,592 1,593 186.117,594 0.944,595 4.136,596 0.132,597 0.003,598 0.048,599 0.012,600 0.032,601 0.017,602 0.008,603 0.012,604 0.01,605 0.004,606 0.277,607 0.83,608 1,609 1.39,610 79.449,611 -0.001,612 -0.139,613 0.048,614 -0.069,615 0.002,616 -0.014,617 -0.069,618 -0.211,619 -0.049,620 -0.139,621 0.063,622 -0.101,623 -0.065,624 0.053,625 -0.01,626 0.02,627 0.032,628 0.011,629 -0.14,630 -0.01,631 -0.021,632 0.03,633 -0.136,634 0.018,635 0.066,636 0.155,637 0.063,638 0.16,639 0.043,640 0.115,641 0.007,642 -0.118,643 -0.055,644 -0.111,645 0.054,646 -0.093,647 -0.081,648 -0.112,649 -0.181,650 -0.166,651 -0.222,652 -0.18,653 0.25,654 -0.046,655 0.062,656 -0.064,657 0.077,658 -0.027,659 0.762,660 2.094,661 0.611,662 16.963,663 0.989,664 1.126,665 2.346,666 5.503,667 0.654,668 2.996,669 3.178,670 3.332,671 3.466,672 3.526,673 3.497,674 3.497,675 3.555,676 3.555,677 3.434,678 5.886,679 0.61,680 242.35,681 2.996,682 4.443,683 5.22,684 6.019,685 6.815,686 7.62,687 8.424,688 9.233,689 10.041,690 10.852,691 5.6,699 1,700 1,709 7,711 1,714 3,716 11,719 1,735 1,738 36,739 12,740 1,741 19,743 37,744 15,745 10,746 2,747 4,748 1,752 2,753 2,759 1,766 2,768 11,769 4,772 1,780 1,781 1,786 1,789 18,790 2,791 1,792 3,797 2,803 1,804 1,818 1,822 1,823 1,855 2,859 1,862 18,869 3,872 1,886 2.8,891 1,893 9,894 6.533,895 4.25,896 2.332,898 2.458,899 1.413,900 0.955,901 4.883,902 8.408,903 3.277,904 3.755,905 4.271,906 4.757,907 5.087,908 5.286,909 5.575,910 5.942,911 6.265,912 6.47,913 0.857,914 19,915 6.614,917 2.592,918 7.528,919 12.882,921 9.84,924 2.028,925 36.5,926 0.002,929 200.109,930 104.196,931 33.571,933 11,936 104.196,937 211.109,938 33.571,939 8.825,940 9.661,941 65.905,942 20.819,943 52.571,944 14.528,945 176.567,947 200.109,948 137.767,949 11,952 176.567,953 34.542,956 52.058,957 76.662,958 9.047,960 200.109,961 44.571,962 104.196,965 200.109,966 20.418,967 83.778,968 16.786,969 27.785,970 200.109,971 44.571,972 104.196,973 0.541,974 0.296,975 0.15,976 0.074,977 9,978 3,979 0.162,980 6,982 1,983 3.287,984 111.587,986 11,987 71.059,993 12.748,994 6.895,995 4.248,997 27.785,998 13.638,1000 3.079,1003 2.827,1005 16.786,1006 348.876,1007 25.5,1015 1.812,1016 4.374,1020 35.6,1021 40.528,1022 0.271,1023 0.624,1024 0.816,1025 0.899,1026 0.899,1027 0.899,1028 4.416,1029 0.618,1030 5.106,1031 1.547,1032 3.85,1033 4.437,1034 1.163,1035 5.727,1036 3.764,1037 5.55,1038 0.521,1039 6.535,1040 1.372,1041 2.944,1042 3.726,1044 6.188,1045 2.809,1046 6.781,1047 -0.122,1048 8.057,1049 1.061,1050 5.252,1051 6.497,1052 0.856,1053 9.203,1054 5.077,1055 8.053,1056 -0.582,1057 9.636,1058 -0.224,1059 5.252,1060 6.742,1062 10.523,1063 5.018,1064 9.358,1065 -1,1066 11.251,1067 -1.131,1068 6.884,1069 8.8,1070 0.643,1071 12.929,1072 6.625,1073 10.686,1074 -1.038,1075 12.889,1076 -2.441,1077 7.322,1078 9.491,1080 14.592,1081 7.003,1082 12.029,1083 -1.38,1084 14.542,1085 -2.801,1086 8.637,1087 11.218,1088 0.49,1089 16.764,1090 8.297,1091 2.68,1092 -1.618,1093 16.206,1094 -3,1095 9.307,1096 12.147,1098 18.585,1099 8.909,1100 2.521,1101 7.44,1102 17.875,1103 -3.873,1104 10.461,1105 13.699,1106 0.375,1107 20.655,1108 10.041,1109 2.191,1110 6.987,1111 19.55,1112 3.699,1113 11.26,1114 14.767,1116 22.555,1117 10.786,1118 1.608,1119 6.306,1120 21.227,1121 3.508,1122 12.328,1123 16.219,1124 0.286,1125 24.578,1126 11.83,1127 1.297,1128 3.119,1129 22.907,1130 2.836,1131 13.199,1132 17.37,1134 26.518,1135 12.65,1136 1,1137 2.785,1138 24.588,1139 1.875,1140 14.222,1141 18.764,1142 0.218,1143 28.521,1144 13.646,1145 0.805,1146 2.275,1147 26.271,1148 1.639,1149 15.135,1150 19.966,1152 30.483,1153 14.511,1154 3224,1155 4904,1156 13,1157 23.557,1158 27.125,1159 26.841,1160 27.039,1161 26.482,1162 26.479,1163 35.312,1164 2.92,1165 65.786,1166 25.336,1167 4.924,1168 4.932,1169 5.42,1170 4.691,1171 4.68,1172 6.699,1173 1.72,1174 12.715,1175 4.574,1176 5.598,1177 1.428,1178 1.413,1179 1.423,1180 1.394,1181 1.394,1182 1.859,1183 0.154,1184 3.462,1185 1.333,1186 3.978,1187 4.023,1188 3.921,1189 3.864,1190 4.97,1191 3.872,1192 3.864,1193 3.899,1194 3.799,1195 3.753,1196 4.819,1197 3.76,1198 3.652,1199 3.721,1200 3.477,1201 3.509,1202 4.499,1203 3.49,1204 3.243,1205 3.305,1206 3.136,1207 3.028,1208 4.164,1209 3.046,1210 3.086,1211 3.172,1212 2.887,1213 2.888,1214 3.979,1215 2.873,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.674,1221 2.715,1222 2.684,1223 2.747,1224 2.525,1225 2.54,1226 3.446,1227 2.531,1228 2.561,1229 2.683,1230 2.35,1231 2.27,1232 3.376,1233 2.273,1234 0.215,1235 0.154,1236 0.29,1237 0.192,1238 0.141,1239 4.088,1240 0.195,1241 2.932,1242 0.045,1243 5.51,1244 0.392,1245 3.641,1246 0.135,1247 2.68,1248 3.699,1249 0.86,1250 7.44,1251 2.574,1252 1.888,1253 1.864,1254 2.002,1255 2.002,1256 1.242,1257 2.001,1258 1.671,1259 1.605,1260 1.939,1261 1.855,1262 1.049,1263 1.886,1264 1.549,1265 1.507,1266 1.684,1267 1.746,1268 0.746,1269 1.729,1270 1.458,1271 1.394,1272 1.642,1273 1.617,1274 0.704,1275 1.638,1276 1.175,1277 1.097,1278 1.537,1279 1.446,1280 0.62,1281 1.477,1282 0.913,1283 0.844,1284 1.181,1285 1.159,1286 0.218,1287 1.154,1288 0.886,1289 0.821,1290 1.121,1291 1.062,1292 0.203,1293 1.107,1294 0.566,1295 0.473,1296 1.02,1297 0.899,1298 0.097,1299 0.943,1300 3.664,1302 4.875,1303 2.398,1304 6.263,1305 4.443,1306 7.733,1307 6.26,1308 9.249,1310 2.155,1315 3.021,1318 5.594,1326 21.972,1327 50.455,1328 116.078,1329 151.853,1330 167.362,1331 167.362,1332 167.362,1333 20.4,1334 5.951,1335 37.38,1336 37.38,1337 11,1338 11.441,1339 3.7,1340 2.907,1341 31.366,1342 63,1343 66,1344 0.245,1345 139.889,1346 236.49,1347 333.09,1348 2583,1350 12.632,1351 0.702,1352 0.589,1353 12.632,1354 10.596,1355 8.881,1356 0.467,1357 0.331,1358 6.218,1359 8.605,1360 6.057,1361 5.124,1362 8.881,1363 6.286,1364 7.11,1365 0.309,1366 0.177,1367 7.11,1368 4.08,1369 5.64,1370 0.209,1371 0.095,1372 5.64,1373 2.578,1374 4.262,1375 0.137,1376 0.049,1377 4.262,1378 1.531,1379 2.961,1380 0.09,1381 0.026,1382 2.961,1383 0.86,1384 0.396,1385 55.105,1386 0.277,1387 18.913,1388 0.634,1389 84,1390 227.714,1391 90.984,1392 221.612,1393 306.83,1394 210,1395 92,1396 226.891,1397 98.847,1398 229.78,1399 328.23,1400 217,1401 4.482}
{0 CHEMBL1537417,1 1.508,2 8.667,3 0.043,4 0.002,5 75.387,6 8.008,8 3.705,9 3.776,10 3.296,11 3.095,12 4.976,13 3.139,14 4.215,15 4.35,16 3.586,17 3.333,18 5.557,19 3.386,20 4.301,21 4.432,22 3.687,23 3.402,24 5.692,25 3.47,26 4.288,27 4.365,28 3.712,29 3.405,30 5.968,31 3.47,32 4.339,33 4.457,34 3.609,35 3.417,36 5.807,37 3.444,38 4.327,39 4.46,40 3.558,41 3.359,42 5.699,43 3.406,44 4.342,45 4.473,46 3.457,47 3.274,48 5.93,49 3.304,50 4.192,51 4.388,52 3.141,53 3.265,54 5.364,55 3.158,56 0.187,57 0.443,58 6.656,59 3.562,60 13.381,61 3.915,62 0.696,63 0.617,64 14.849,65 4.961,66 54.145,67 5.85,68 0.78,69 0.663,70 16.325,71 5.284,72 62.017,73 6.114,74 0.932,75 0.659,76 14.889,77 5.194,78 105.312,79 5.663,80 0.948,81 0.685,82 16.719,83 5.503,84 98.843,85 6.352,86 0.694,87 0.667,88 16.54,89 5.315,90 69.346,91 6.123,92 1.111,93 0.623,94 18.219,95 4.957,96 143.104,97 5.683,98 0.744,99 0.616,100 15.294,101 5.284,102 54.295,103 7.198,104 56,105 27,106 0.278,107 0.6,108 0.759,109 0.769,110 0.769,111 0.769,112 3.102,113 0.894,114 -1.55,115 -1.62,116 -1.66,120 37.8,121 2,125 1,126 2,136 2,137 1,138 1,139 2,157 1,159 2,174 1,176 2,177 9,185 1,188 2,189 6,197 1,200 5,201 3,209 2,213 4,214 6,222 2,227 5,239 4,240 2,247 2,251 4,260 1,264 2,274 616,275 13.939,276 13.939,277 13.939,278 13.939,279 13.939,280 12.964,281 17.117,282 8.462,283 14.59,284 10.181,285 10.181,286 10.181,287 10.181,288 10.181,289 8.377,290 16.361,291 3.716,292 10.872,293 3.701,294 1.956,295 1.088,296 1.034,297 1.034,298 1.034,299 3.736,306 1,307 1,308 350,309 4.062,313 80.939,320 1.238,321 38.938,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 49,333 182,334 4.359,335 3.821,336 6.407,337 3.976,338 2.989,339 3.797,340 1.674,341 9.746,342 2.938,343 4.18,344 3.578,345 6.056,346 3.799,347 2.817,348 3.549,349 1.674,350 8.678,351 2.762,352 3.555,353 3.42,354 5.222,355 3.114,356 2.177,357 2.746,358 0.86,359 6.506,360 2.027,361 3.372,362 2.752,363 4.894,364 2.975,365 2.026,366 2.491,367 0.86,368 5.288,369 1.891,370 2.946,371 2.422,372 4.171,373 2.445,374 1.478,375 1.924,377 3.724,378 1.4,379 2.562,380 1.837,381 3.804,382 2.18,383 1.289,384 1.439,386 2.794,387 1.135,388 2.085,389 1.808,390 3.068,391 1.877,392 0.914,393 1,395 1.423,396 0.863,397 2.043,398 1.587,399 2.915,400 1.644,401 0.737,402 0.84,404 1.349,405 0.65,406 1.81,407 1.242,408 2.78,409 1.412,410 0.464,411 0.605,413 0.825,414 0.434,415 1.191,416 0.704,417 2.35,418 0.689,419 -0.235,420 -0.262,422 -0.406,423 -0.211,424 0.815,425 0.292,426 2.147,427 0.56,428 -0.459,429 -0.603,431 -0.863,432 -0.457,433 0.667,434 0.26,435 1.861,436 0.395,437 -0.585,438 -0.657,440 -0.883,441 -0.563,442 0.631,443 -0.028,444 1.719,445 0.382,446 -0.637,447 -0.82,449 -1.39,450 -0.638,451 0.224,452 -0.481,453 1.378,454 -0.065,455 -1,456 -1.148,458 -2.693,459 -0.925,460 0.161,461 -0.81,462 1.253,463 -0.359,464 -1.397,465 -1.804,467 -3.344,468 -1.4,469 9.333,470 0.444,471 0.472,472 0.022,473 22.25,474 1.06,475 9,476 0.429,477 13.25,478 0.631,479 16.194,480 0.771,481 24.867,482 0.672,483 19.476,484 0.927,485 5.074,486 0.242,487 4.954,488 0.236,489 0.268,491 0.321,496 0.795,497 1.512,498 0.706,499 1.464,500 0.603,501 1.132,502 1.03,503 0.952,504 0.775,505 0.912,506 0.636,507 0.776,508 1.136,509 0.912,510 0.784,511 0.862,512 0.954,513 0.719,514 1.08,515 1.15,516 1.025,517 1.137,518 1.412,519 1.075,520 1.083,521 1.034,522 1.089,523 1.037,524 1.499,525 1.06,526 1.345,527 1.219,528 1.087,529 1.181,530 1.352,531 1.062,532 1.388,533 0.864,534 1.3,535 0.873,536 1.265,537 1.017,538 0.459,539 1.079,540 1.008,541 1.144,542 0.407,543 1.263,544 4.5,545 0.033,546 2.667,547 1.688,548 1.213,549 0.625,550 0.447,551 0.361,552 0.214,553 0.071,554 3479,555 13687,556 1.842,557 43.2,559 9,560 1,564 6,567 1.638,568 1.68,569 3.1,570 -0.657,572 1,575 55.795,576 1.508,577 3.253,578 4.121,579 4.175,580 4.175,581 4.175,582 2.498,583 3.916,584 4.36,585 3.233,586 678.914,587 7.503,588 7352.7,590 1,593 192.75,594 1.557,595 4.284,596 0.214,597 0.008,598 0.099,599 0.056,600 0.042,601 0.024,602 0.018,603 0.017,604 0.014,605 0.007,606 0.5,607 0.5,608 1,609 2.191,610 94.792,611 -0.064,612 -0.287,613 0.044,614 -0.259,615 -0.06,616 -0.103,617 -0.018,618 0.072,619 0.17,620 0.1,621 0.075,622 0.187,623 -0.069,624 0.103,625 0.174,626 0.137,627 -0.027,628 0.229,629 0.096,630 -0.086,631 -0.105,632 -0.112,633 0.044,634 -0.173,635 0.012,636 -0.011,637 -0.145,638 -0.037,639 -0.184,640 -0.13,641 -0.279,642 -0.217,643 -0.133,644 -0.195,645 -0.211,646 -0.124,647 -0.12,648 0.078,649 -0.277,650 0.042,651 0.058,652 -0.136,653 0.288,654 -0.083,655 -0.081,656 -0.129,657 0.146,658 -0.227,659 2.519,660 4.736,661 0.286,662 16.159,663 1.037,664 1.129,665 0.319,666 0.102,667 0.629,668 3.091,669 3.332,670 3.526,671 3.664,672 3.738,673 3.714,674 3.664,675 3.664,676 3.555,677 2.944,678 5.28,679 0.628,680 296.3,681 3.091,682 4.575,683 5.38,684 6.221,685 7.05,686 7.899,687 8.738,688 9.589,689 10.432,690 11.284,738 37,739 6,741 21,743 37,744 14,748 9,752 1,753 1,759 2,768 9,769 5,772 6,778 3,780 3,782 6,785 1,786 1,789 16,790 7,792 7,803 1,804 7,823 1,836 1,841 2,845 4,846 1,854 2,855 1,859 3,862 21,869 2,872 4,886 18.9,889 3,890 2,891 2,893 12.5,894 7.667,895 5.083,896 2.285,898 1.326,899 1.225,900 0.863,901 6.852,902 7.212,903 3.332,904 3.761,905 4.22,906 4.533,907 4.86,908 5.037,909 5.323,910 5.438,911 5.485,912 4.575,913 0.833,914 30,915 7.779,917 3.145,918 8.357,919 13.795,921 9.857,924 2.857,925 60,929 188.338,930 101.393,933 119.434,936 101.393,937 307.772,939 28.533,940 20.719,941 18.952,942 127.438,943 25.185,944 11.771,945 176.567,947 188.338,948 101.393,949 119.434,952 117.711,953 168.061,954 22,956 26.835,957 45.119,958 29.439,960 188.338,961 119.434,962 101.393,965 188.338,966 42.373,967 59.02,969 119.434,970 188.338,971 119.434,972 101.393,973 0.552,974 0.331,975 0.176,976 0.085,977 9,978 6,979 0.216,980 8,982 1,983 3.148,984 143.145,986 6,987 82.239,993 17.143,994 8.394,995 4.846,997 119.434,1006 409.165,1007 27,1013 35.069,1015 3.274,1017 -2.476,1020 38.36,1021 41.787,1022 0.289,1023 0.625,1024 0.791,1025 0.801,1026 0.801,1027 0.801,1028 4.543,1029 0.737,1030 5.352,1031 1.423,1032 4.007,1033 4.443,1034 2.72,1035 6.12,1036 3.911,1037 5.727,1038 0.464,1039 6.899,1040 1.349,1041 3.611,1042 4.29,1044 7.002,1045 3.564,1046 7.026,1047 -0.235,1048 8.549,1049 0.825,1050 5.557,1051 6.482,1052 3.545,1053 10.045,1054 5.409,1055 8.362,1056 -0.459,1057 10.258,1058 -0.406,1059 5.969,1060 7.124,1062 11.71,1063 5.871,1064 9.73,1065 -0.585,1066 12.002,1067 -0.863,1068 7.394,1069 8.808,1070 4.508,1071 14.271,1072 7.225,1073 11.118,1074 -0.637,1075 13.769,1076 -0.883,1077 8.169,1078 9.798,1080 16.259,1081 8.03,1082 12.521,1083 -1,1084 15.553,1085 -1.39,1086 9.387,1087 11.28,1088 5.519,1089 18.641,1090 9.202,1091 2.989,1092 -1.397,1093 17.349,1094 -2.693,1095 10.326,1096 12.435,1098 20.774,1099 10.152,1100 2.817,1101 9.746,1102 19.154,1103 -3.344,1104 11.46,1105 13.829,1106 6.544,1107 23.083,1108 11.254,1109 2.177,1110 8.678,1111 20.967,1112 3.797,1113 12.474,1114 15.064,1116 25.284,1117 12.267,1118 2.026,1119 6.506,1120 22.785,1121 3.549,1122 13.574,1123 16.417,1124 7.573,1125 27.563,1126 13.343,1127 1.478,1128 5.288,1129 24.607,1130 2.746,1131 14.623,1132 17.692,1134 29.796,1135 14.382,1136 1.289,1137 3.724,1138 26.434,1139 2.491,1140 15.71,1141 19.027,1142 8.603,1143 32.064,1144 15.449,1145 0.914,1146 2.794,1147 28.263,1148 1.924,1149 16.775,1150 20.323,1152 34.313,1153 16.501,1154 3815,1155 7687,1156 12.83,1157 23.273,1158 30.682,1159 32.932,1160 32.346,1161 29.702,1162 29.784,1163 36.782,1164 10.138,1165 80.669,1166 28.2,1167 5.241,1168 5.745,1169 6.177,1170 5.063,1171 4.989,1172 6.526,1173 3.349,1174 16.231,1175 4.886,1176 13.819,1177 1.461,1178 1.568,1179 1.54,1180 1.414,1181 1.418,1182 1.752,1183 0.483,1184 3.841,1185 1.343,1186 3.899,1187 3.895,1188 3.867,1189 3.758,1190 7.449,1191 3.782,1192 3.69,1193 3.688,1194 3.653,1195 3.486,1196 7.428,1197 3.524,1198 3.51,1199 3.566,1200 3.357,1201 3.275,1202 7.417,1203 3.274,1204 3.406,1205 3.468,1206 3.229,1207 3.228,1208 4.876,1209 3.214,1210 3.228,1211 3.284,1212 3.062,1213 2.974,1214 4.536,1215 2.987,1216 2.956,1217 2.965,1218 2.859,1219 2.732,1220 4.457,1221 2.719,1222 2.911,1223 2.943,1224 2.789,1225 2.57,1226 4.434,1227 2.655,1228 2.815,1229 2.8,1230 2.707,1231 2.474,1232 3.956,1233 2.541,1234 0.208,1235 0.182,1236 0.305,1237 0.189,1238 0.142,1239 4.359,1240 0.181,1241 3.821,1242 0.08,1243 6.407,1244 0.464,1245 3.976,1246 0.14,1247 2.989,1248 3.797,1249 1.674,1250 9.746,1251 2.938,1252 1.796,1253 1.795,1254 1.876,1255 1.96,1256 0.96,1257 1.927,1258 1.574,1259 1.568,1260 1.8,1261 1.817,1262 0.937,1263 1.795,1264 1.476,1265 1.409,1266 1.799,1267 1.738,1268 0.898,1269 1.756,1270 1.397,1271 1.333,1272 1.619,1273 1.606,1274 0.639,1275 1.618,1276 1.171,1277 1.109,1278 1.48,1279 1.468,1280 0.513,1281 1.475,1282 0.899,1283 0.844,1284 1.13,1285 1.146,1286 0.183,1287 1.114,1288 0.724,1289 0.732,1290 1.035,1291 1.101,1292 0.118,1293 1.077,1294 0.619,1295 0.614,1296 0.984,1297 0.985,1298 0.096,1299 0.943,1300 3.761,1302 5.017,1304 6.475,1306 8.03,1308 9.633,1310 4.535,1315 0.199,1318 19.4,1326 23.218,1327 55.795,1328 120.379,1329 152.485,1330 154.485,1331 154.485,1332 154.485,1333 70.32,1334 5.886,1335 92.04,1336 92.04,1337 6,1338 11.842,1339 2.807,1340 2.807,1341 53.351,1342 64,1343 69,1344 0.41,1345 148.079,1346 284.09,1347 353.073,1348 1937,1350 15.828,1351 0.754,1352 0.572,1353 15.828,1354 12.004,1355 10.028,1356 0.478,1357 0.298,1358 6.077,1359 9.25,1360 5.895,1361 4.943,1362 10.028,1363 6.258,1364 8.256,1365 0.306,1366 0.138,1367 8.256,1368 3.714,1369 6.535,1370 0.198,1371 0.07,1372 6.535,1373 2.315,1374 5.14,1375 0.135,1376 0.037,1377 5.14,1378 1.4,1379 3.292,1380 0.08,1381 0.019,1382 3.292,1383 0.782,1384 0.627,1385 65.738,1386 0.279,1387 20.72,1388 1.168,1389 96,1390 468.149,1391 116.26,1392 415.474,1393 533.99,1394 386,1395 108,1396 360.727,1397 126.825,1398 352.992,1399 513.58,1400 328,1401 4.819}
{0 CHEMBL1537615,1 1.863,2 7.111,3 1.793,4 3.216,5 67.216,6 10.065,7 0.316,8 3.393,9 3.474,10 3.205,11 2.972,12 4.753,13 2.993,14 3.836,15 3.95,16 3.56,17 3.278,18 5.166,19 3.299,20 4.003,21 4.128,22 3.709,23 3.378,24 5.467,25 3.394,26 3.967,27 4.111,28 3.627,29 3.287,30 5.493,31 3.29,32 3.916,33 4.092,34 3.309,35 3.195,36 5.28,37 3.172,38 3.775,39 3.942,40 3.272,41 3.045,42 5.362,43 3.016,44 3.563,45 3.75,46 2.952,47 2.785,48 4.948,49 2.72,50 3.18,51 3.334,52 2.643,53 2.352,54 4.738,55 2.268,56 0.113,57 0.374,58 2.143,59 1.948,60 8.9,61 1.902,62 0.281,63 0.549,64 5.899,65 3.173,66 21.534,67 3.032,68 0.386,69 0.635,70 8.74,71 3.642,72 38.993,73 3.29,74 0.404,75 0.601,76 8.547,77 3.616,78 38.962,79 3.628,80 0.344,81 0.558,82 8.849,83 3.886,84 45.75,85 4.229,86 0.354,87 0.469,88 7.467,89 3.28,90 48.515,91 3.539,92 0.281,93 0.35,94 9.557,95 2.829,96 38.943,97 2.817,98 0.273,99 0.216,100 6.281,101 1.959,102 37.434,103 1.816,104 21,105 26,106 0.363,107 0.734,108 0.821,109 0.881,110 0.881,111 0.881,112 2.961,113 0.849,114 -2.87,115 -2.88,116 -2.78,120 46.2,125 1,136 1,139 1,143 4,145 2,157 1,159 2,167 1,174 2,176 1,177 6,185 4,188 2,189 6,197 1,200 2,201 9,209 2,213 1,214 2,222 1,226 2,227 4,235 3,240 1,247 1,251 1,252 2,260 1,274 364,275 12.102,276 12.102,277 12.102,278 12.102,279 12.102,280 10.752,281 16.263,282 7.025,283 12.48,284 9.221,285 9.221,286 9.221,287 9.221,288 9.221,289 6.985,290 21.952,291 3.141,292 9.786,293 2.837,294 0.937,295 0.491,296 0.183,297 0.183,298 0.183,299 3.612,303 1,306 1,307 1,308 260,309 2.236,313 113.626,320 1.025,321 23.372,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 39.833,333 128,334 4.418,335 4.114,336 6.523,337 4.05,338 3.093,339 3.879,340 2.275,341 10.242,342 2.951,343 4.081,344 3.664,345 5.943,346 3.609,347 2.669,348 3.597,349 1.058,350 8.283,351 2.493,352 3.709,353 3.03,354 5.388,355 3.294,356 2.351,357 2.906,358 0.86,359 6.913,360 2.198,361 3.415,362 2.908,363 4.904,364 2.875,365 1.886,366 2.558,368 5.377,369 1.844,370 3.116,371 2.523,372 4.342,373 2.4,374 1.483,375 2.049,377 4.013,378 1.328,379 2.861,380 2.026,381 3.514,382 2.144,383 1.174,384 1.717,386 2.603,387 1.106,388 2.638,389 1.435,390 3.32,391 1.688,392 0.728,393 1.154,395 1.501,396 0.673,397 1.718,398 0.988,399 2.745,400 1.293,401 0.428,402 0.481,404 0.622,405 0.367,406 1.583,407 0.931,408 2.665,409 0.929,415 0.903,416 0.404,417 2.468,418 0.435,419 -0.507,420 -0.678,422 -1.241,423 -0.398,424 0.669,425 0.009,426 2,427 0.235,428 -0.68,429 -0.87,431 -1.43,432 -0.622,433 0.576,434 -0.382,435 1.649,436 0.123,437 -0.825,438 -1.051,440 -2.132,441 -0.757,442 0.373,443 -0.636,444 1.483,445 -0.128,446 -1.101,447 -1.483,449 -2.981,450 -1.023,451 -0.097,452 -0.981,453 1.38,454 -0.624,455 -1.469,456 -1.919,458 -3.879,459 -1.332,460 -0.469,461 -1.137,462 1.273,463 -0.742,464 -1.613,465 -1.944,467 -4.184,468 -1.432,469 8.581,470 0.477,471 0.435,472 0.024,473 26,474 1.444,475 14.5,476 0.806,477 11.5,478 0.639,479 10.481,480 0.582,481 18.419,482 0.708,483 17.637,484 0.98,485 5.367,486 0.298,487 3.285,488 0.182,489 0.227,491 0.338,496 0.68,497 1.145,498 0.5,499 0.924,500 0.527,501 0.813,502 1.006,503 1.209,504 0.625,505 0.798,506 0.608,507 0.739,508 1.112,509 1.103,510 0.955,511 0.931,512 0.855,513 0.878,514 0.717,515 0.984,516 0.751,517 1.082,518 0.778,519 1.022,520 0.948,521 0.917,522 0.638,523 0.858,524 1.133,525 0.92,526 0.836,527 0.947,528 0.777,529 0.911,530 0.786,531 0.986,532 1.414,533 0.845,534 1.546,535 1.045,536 1.412,537 1.097,538 1.268,539 0.906,540 1.65,541 1.325,542 1.868,543 1.436,544 4,546 2.222,547 1.375,548 1.147,549 0.681,550 0.324,551 0.196,552 0.111,554 2371,555 9915,556 1.963,557 30.8,559 8,567 1.592,568 1.8,569 2.878,570 -0.654,574 1,575 48.437,576 1.863,577 3.763,578 4.21,579 4.518,580 4.518,581 4.518,582 2.261,583 4.059,584 4.142,585 2.95,586 451.324,587 7.054,588 4204.4,590 1,592 1,593 122.211,594 1.53,595 4.076,596 0.211,598 0.085,599 0.049,600 0.048,601 0.034,602 0.019,603 0.018,604 0.018,606 0.482,607 0.67,608 1,609 1.066,610 75.123,611 -0.006,612 -0.086,613 0.018,614 -0.098,615 -0.02,616 -0.05,617 -0.104,618 -0.201,619 0.075,620 0.088,621 -0.015,622 0.108,623 -0.12,624 -0.072,625 -0.058,626 -0.032,627 -0.014,628 -0.038,629 0.208,630 0.022,631 0.102,632 -0.17,633 0.144,634 -0.113,635 -0.042,636 0.009,637 0.093,638 0.103,639 -0.087,640 0.115,641 0.152,642 -0.015,643 0.1,644 0.061,645 0.293,646 0.027,647 -0.333,648 0.049,649 -0.219,650 0.018,651 -0.286,652 -0.014,653 0.058,654 -0.083,655 -0.224,656 -0.232,657 -0.281,658 -0.377,659 2.077,660 4.774,661 0.667,662 10.914,663 1.036,664 1.119,665 1.637,666 2.68,667 0.733,668 2.996,669 3.296,670 3.555,671 3.761,672 3.97,673 3.97,674 3.892,675 3.85,676 3.714,677 3.526,678 4.395,679 0.727,680 261.68,681 2.996,682 4.511,683 5.352,684 6.221,685 7.083,686 7.958,687 8.825,688 9.703,689 10.573,690 11.452,691 11.5,698 1,700 2,709 4,714 2,716 6,735 1,738 26,739 10,740 1,741 19,743 27,744 12,745 6,746 2,747 4,748 4,749 1,752 2,753 2,754 1,755 1,767 1,768 10,769 1,771 1,772 3,778 1,780 1,781 1,782 3,786 1,789 8,790 5,792 6,793 1,797 3,803 1,804 2,823 2,833 1,845 2,855 2,859 1,860 1,862 18,872 1,875 1,877 1,882 1,884 1,885 1,886 7.7,889 1,891 1,893 10,894 5.243,895 4.167,896 1.373,898 2.066,899 1.339,900 0.94,901 3.542,902 8.157,903 3.332,904 3.839,905 4.398,906 4.888,907 5.349,908 5.596,909 5.755,910 6.063,911 6.212,912 6.405,913 0.8,914 28,915 6.559,917 2.728,918 8.191,919 11.846,921 9.052,924 2.691,925 48.444,929 94.169,930 93.828,931 50.724,932 39.149,933 36.145,936 93.828,937 169.462,938 50.724,939 10.883,940 3.002,941 47.381,942 52.709,943 66.722,945 94.169,946 39.149,947 94.169,948 144.552,949 36.145,950 39.149,952 94.169,953 36.145,956 50.724,957 80.851,958 52.125,960 94.169,961 86.869,962 132.977,965 94.169,966 18.962,967 61.266,968 16.602,969 123.016,970 94.169,971 86.869,972 132.977,973 0.572,974 0.352,975 0.186,976 0.101,977 12,978 6,979 0.074,980 2,982 1,983 2.919,984 125.64,986 12,987 75.059,993 12.469,994 5.113,995 2.493,997 86.869,998 6.8,1003 1.099,1006 314.015,1007 27,1013 11.774,1015 1.159,1016 3.892,1017 -0.368,1020 26.935,1021 29.103,1022 0.396,1023 0.801,1024 0.896,1025 0.961,1026 0.961,1027 0.961,1028 4.57,1029 0.428,1030 5.342,1031 1.501,1032 3.97,1033 4.522,1034 2.713,1035 6.151,1036 3.86,1037 5.791,1039 6.909,1040 0.622,1041 3.611,1042 4.248,1044 7.066,1045 3.412,1046 7.1,1047 -0.507,1048 8.573,1050 5.565,1051 6.643,1052 4.063,1053 10.134,1054 5.358,1055 8.439,1056 -0.68,1057 10.293,1058 -1.241,1059 5.994,1060 7.137,1062 11.827,1063 5.694,1064 9.803,1065 -0.825,1066 12.046,1067 -1.43,1068 7.437,1069 9.004,1070 5.641,1071 14.425,1072 7.129,1073 11.187,1074 -1.101,1075 13.823,1076 -2.132,1077 8.227,1078 9.874,1080 16.454,1081 7.835,1082 12.586,1083 -1.469,1084 15.615,1085 -2.981,1086 9.466,1087 11.496,1088 7.272,1089 18.88,1090 9.057,1091 3.093,1092 -1.613,1093 17.421,1094 -3.879,1095 10.426,1096 12.568,1098 21.064,1099 9.947,1100 2.669,1101 10.242,1102 19.236,1103 -4.184,1104 11.584,1105 14.064,1106 8.913,1107 23.423,1108 11.078,1109 2.351,1110 8.283,1111 21.059,1112 3.879,1113 12.626,1114 15.249,1116 25.679,1117 12.06,1118 1.886,1119 6.913,1120 22.888,1121 3.597,1122 13.754,1123 16.677,1124 10.556,1125 28.014,1126 13.153,1127 1.483,1128 5.377,1129 24.723,1130 2.906,1131 14.834,1132 17.927,1134 30.304,1135 14.182,1136 1.174,1137 4.013,1138 26.563,1139 2.558,1140 15.953,1141 19.317,1142 12.2,1143 32.63,1144 15.262,1145 0.728,1146 2.603,1147 28.407,1148 2.049,1149 17.053,1150 20.604,1152 34.938,1153 16.313,1154 2491,1155 5203,1156 12.137,1157 19.068,1158 29.502,1159 31.749,1160 29.568,1161 27.718,1162 27.624,1163 36.682,1164 8.386,1165 79.109,1166 25.919,1167 5.215,1168 6.114,1169 6.112,1170 5.086,1171 5.093,1172 6.879,1173 4.55,1174 17.092,1175 4.951,1176 9.97,1177 1.553,1178 1.671,1179 1.556,1180 1.459,1181 1.454,1182 1.931,1183 0.441,1184 4.164,1185 1.364,1186 3.962,1187 3.991,1188 4.01,1189 3.853,1190 7.429,1191 3.862,1192 3.749,1193 3.772,1194 3.809,1195 3.642,1196 6.821,1197 3.652,1198 3.262,1199 3.32,1200 3.313,1201 3.027,1202 4.912,1203 3.07,1204 3.212,1205 3.251,1206 3.223,1207 2.968,1208 4.82,1209 2.98,1210 2.941,1211 2.994,1212 3.041,1213 2.792,1214 4.43,1215 2.793,1216 2.76,1217 2.832,1218 2.713,1219 2.616,1220 4.245,1221 2.593,1222 2.643,1223 2.643,1224 2.551,1225 2.417,1226 3.603,1227 2.445,1228 2.434,1229 2.529,1230 2.413,1231 2.105,1232 3.452,1233 2.17,1234 0.233,1235 0.217,1236 0.343,1237 0.213,1238 0.163,1239 4.418,1240 0.204,1241 4.114,1242 0.12,1243 6.523,1244 0.539,1245 4.05,1246 0.155,1247 3.093,1248 3.879,1249 2.275,1250 10.242,1251 2.951,1252 1.898,1253 1.873,1254 1.99,1255 2.027,1256 1.075,1257 2.013,1258 1.682,1259 1.662,1260 1.715,1261 1.826,1262 0.753,1263 1.805,1264 1.197,1265 1.127,1266 1.568,1267 1.507,1268 0.573,1269 1.527,1270 1.099,1271 1.066,1272 1.146,1273 1.322,1274 0.205,1275 1.268,1276 0.899,1277 0.845,1278 1.12,1279 1.078,1280 0.125,1281 1.095,1282 0.777,1283 0.71,1284 1.031,1285 0.967,1287 0.997,1288 0.467,1289 0.464,1290 0.583,1291 0.748,1293 0.717,1294 0.274,1295 0.181,1296 0.341,1297 0.636,1299 0.567,1300 3.664,1302 4.963,1304 6.479,1306 8.09,1308 9.75,1310 1.526,1311 5.725,1318 5.062,1321 1.104,1324 8.844,1325 1.827,1326 18.902,1327 48.437,1328 97.847,1329 109.457,1330 117.457,1331 117.457,1332 117.457,1333 32.226,1334 6.091,1335 67.91,1336 67.91,1337 12,1338 11.99,1339 3.459,1340 3.17,1341 30.801,1342 46,1343 48,1344 0.339,1345 124.381,1346 225.21,1347 295.249,1348 2661,1349 3.8,1350 13.121,1351 0.729,1352 0.565,1353 13.621,1354 10.179,1355 8.651,1356 0.455,1357 0.283,1358 4.93,1359 7.943,1360 4.772,1361 3.978,1362 8.94,1363 5.377,1364 7.459,1365 0.287,1366 0.147,1367 7.83,1368 3.811,1369 6.385,1370 0.188,1371 0.076,1372 6.738,1373 2.577,1374 5.086,1375 0.121,1376 0.038,1377 5.458,1378 1.611,1379 3.886,1380 0.075,1381 0.019,1382 4.052,1383 1.005,1384 0.505,1385 58.076,1386 0.287,1387 17.71,1388 1.005,1389 90,1390 350.61,1391 116.108,1392 366.247,1393 476.88,1394 338,1395 105,1396 319.323,1397 128.208,1398 331.957,1399 479.29,1400 309,1401 4.97}
{0 CHEMBL1539980,1 1.387,2 9.5,3 4.301,4 18.502,5 86.526,6 7.641,7 0.68,8 3.758,9 3.851,10 3.373,11 3.36,12 4.85,13 3.345,14 4.266,15 4.399,16 3.723,17 3.735,18 5.335,19 3.709,20 4.418,21 4.585,22 3.705,23 3.857,24 5.403,25 3.785,26 4.475,27 4.673,28 3.501,29 3.815,30 5.397,31 3.693,32 4.449,33 4.707,34 3.259,35 3.665,36 5.254,37 3.502,38 4.232,39 4.486,40 3.171,41 3.471,42 5.056,43 3.34,44 4.076,45 4.29,46 3.176,47 3.405,48 4.975,49 3.296,50 4.065,51 4.284,52 3.19,53 3.335,54 4.974,55 3.244,56 0.008,57 0.477,58 7.187,59 3.508,60 5.667,61 4.278,62 0.231,63 0.802,64 13.763,65 5.68,66 17.642,67 6.835,68 0.094,69 0.952,70 16.132,71 7.103,72 15.125,73 9.137,74 0.124,75 1.004,76 18.023,77 7.795,78 19.932,79 10.21,80 0.126,81 0.97,82 19.518,83 8.185,84 21.635,85 11.337,86 0.123,87 0.785,88 15.751,89 6.376,90 17.128,91 8.756,92 0.122,93 0.663,94 12.507,95 5.348,96 13.589,97 7.199,98 0.123,99 0.642,100 12.767,101 5.312,102 13.792,103 7.063,104 2,105 35,106 0.245,107 0.536,108 0.717,109 0.868,110 0.896,111 0.896,112 3.147,113 0.885,114 -4.44,115 -4.37,116 -4.12,120 50,125 1,127 1,136 2,143 9,144 2,145 2,147 2,174 11,176 1,177 2,185 12,187 4,189 4,197 11,199 4,201 3,209 8,211 2,214 2,222 8,224 2,227 1,235 8,237 1,240 1,242 1,247 8,252 2,254 1,260 7,264 3,271 4,274 574,275 15.292,276 15.292,277 15.292,278 15.292,279 15.292,280 13.123,281 9.763,282 9.005,283 15.536,284 12.343,285 12.343,286 12.343,287 12.343,288 12.343,289 9.047,290 10.34,291 4.264,292 12.743,293 3.861,294 2.216,295 1.192,296 0.336,297 0.178,298 0.178,299 3.851,306 1,307 1,308 472,309 2.345,312 48.044,313 157.107,316 82.204,317 89.896,320 1.409,321 9.838,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46.5,333 209,334 4.56,335 3.306,336 6.626,337 4.069,338 3.109,339 4.496,340 1.392,341 10.497,342 2.99,343 4.295,344 3.14,345 6.193,346 3.894,347 2.939,348 3.94,349 0.532,350 9.256,351 2.803,352 3.833,353 2.472,354 5.673,355 3.399,356 2.418,357 3.321,359 7.479,360 2.366,361 3.584,362 2.311,363 5.251,364 3.202,365 2.225,366 2.935,368 6.635,369 2.165,370 3.22,371 1.991,372 4.717,373 2.737,374 1.758,375 2.55,377 4.884,378 1.718,379 2.932,380 1.801,381 4.366,382 2.478,383 1.534,384 2.128,386 4.212,387 1.441,388 2.886,389 1.706,390 3.692,391 2.437,392 1.441,393 2.024,395 3.086,396 1.432,397 2.511,398 1.441,399 3.524,400 2.125,401 1.132,402 1.359,404 2.516,405 1.122,406 2.332,407 0.961,408 3.452,409 1.865,410 0.885,411 1.257,413 2.108,414 0.865,415 2.175,416 0.88,417 3.281,418 1.8,419 0.805,420 1.105,422 1.865,423 0.8,424 1.662,425 0.697,426 3.026,427 1.369,428 0.428,429 0.51,431 1.038,432 0.399,433 1.365,434 0.121,435 2.742,436 0.973,442 0.993,443 -0.361,444 2.341,445 0.537,446 -0.448,447 -0.609,449 -1.109,450 -0.44,451 0.732,452 -0.545,453 2.324,454 0.3,455 -0.682,456 -0.962,458 -1.729,459 -0.666,460 0.577,461 -0.585,462 2.052,463 0.113,464 -0.873,465 -1.186,467 -2.094,468 -0.857,469 10.567,470 0.48,471 0.448,472 0.02,473 31.75,474 1.443,475 17.5,476 0.795,477 14.25,478 0.648,479 13.579,480 0.617,481 22.133,482 0.582,483 20.713,484 0.942,485 6.537,486 0.297,487 4.272,488 0.194,489 0.047,491 0.322,496 0.86,497 1.162,498 0.728,499 1.008,500 0.913,501 0.877,502 1.244,503 0.929,504 0.905,505 0.815,506 1.036,507 0.809,508 0.842,509 1.106,510 0.998,511 1.05,512 0.766,513 1.04,514 0.839,515 1.161,516 1.217,517 1.203,518 1.016,519 1.245,520 0.539,521 1.004,522 0.968,523 1.034,524 0.753,525 1.055,526 0.674,527 0.873,528 0.868,529 0.866,530 0.748,531 0.885,532 0.593,533 0.975,534 0.931,535 1.012,536 0.834,537 1.017,538 0.773,539 0.956,540 0.819,541 0.972,542 0.782,543 0.919,544 3.5,545 0.058,546 2.667,547 1.257,548 1.155,549 0.406,550 0.237,551 0.254,552 0.156,553 0.107,554 5704,555 13579,556 2.205,557 42.1,559 14,560 2,567 1.64,568 2.129,569 3.247,570 -0.851,572 1,575 52.711,576 1.387,577 3.032,578 4.056,579 4.912,580 5.07,581 5.07,582 2.681,583 3.971,584 4.437,585 3.375,586 779.648,587 7.591,588 8607.98,590 1,592 1,593 199.421,594 1.143,595 4.418,596 0.14,597 0.006,598 0.076,599 0.037,600 0.044,601 0.02,602 0.012,603 0.013,604 0.008,605 0.007,606 0.364,607 0.83,608 1,609 0.405,610 101.64,611 0.01,612 -0.154,613 0.081,614 -0.075,615 -0.11,616 -0.004,617 0.046,618 0.108,619 0.006,620 0.112,621 0.017,622 0.066,623 -0.071,624 -0.095,625 -0.109,626 -0.101,627 0.007,628 -0.107,629 -0.108,630 -0.173,631 -0.295,632 -0.241,633 -0.204,634 -0.282,635 0.03,636 -0.056,637 0.026,638 -0.031,639 0.031,640 -0.008,641 0.009,642 0.102,643 0.138,644 0.128,645 0.078,646 0.148,647 0.128,648 -0.003,649 0.023,650 -0.031,651 -0.006,652 -0.022,653 0.176,654 -0.003,655 0.179,656 0.015,657 0.196,658 0.08,659 1.192,660 1.911,661 0.864,662 15.107,663 0.997,664 1.106,665 3.214,666 10.327,667 0.701,668 3.258,669 3.584,670 3.892,671 4.143,672 4.331,673 4.344,674 4.419,675 4.522,676 4.554,677 4.564,678 5.709,679 0.668,680 290.36,681 3.258,682 4.796,683 5.659,684 6.535,685 7.409,686 8.287,687 9.164,688 10.042,689 10.919,690 11.798,691 2.6,701 1,708 2,709 9,714 4,715 1,716 17,735 2,738 38,739 18,740 2,741 25,743 41,744 19,745 15,746 5,747 7,748 2,752 4,753 6,768 17,769 2,772 1,780 2,786 1,789 16,790 2,792 3,797 1,798 1,803 0.5,804 2,816 1,822 1,823 3,826 1,827 1,845 2,855 2,859 1,862 22,869 1,872 2,886 5.3,891 2,893 10.333,894 7.25,895 4.778,896 2.25,898 4.101,899 1.564,900 1.038,901 3.315,902 11.368,903 3.57,904 4.22,905 4.881,906 5.484,907 6.068,908 6.363,909 6.764,910 7.179,911 7.606,912 7.838,913 1,914 34,915 8.086,917 3.417,918 7.523,919 15.726,921 12.974,924 2.023,925 44.5,926 0.001,929 188.338,930 140.432,931 1.899,933 22,936 140.432,937 210.337,938 1.899,939 8.396,940 6.65,941 104.239,942 1.899,943 43.146,944 23.542,945 164.795,947 188.338,948 142.331,949 22,952 188.338,953 22,956 11.551,957 109.928,958 20.852,960 188.338,961 23.899,962 140.432,965 188.338,966 27.797,967 114.534,969 22,970 188.338,971 23.899,972 140.432,973 0.583,974 0.352,975 0.192,976 0.097,977 19,978 7,979 0.049,980 2,981 2,982 1.211,983 3.581,984 176.11,985 0.211,986 19,987 98.107,993 13.346,994 5.465,995 2.497,996 2.459,997 22,998 18.639,1003 3.868,1004 2.193,1006 352.668,1007 34.5,1015 4.204,1020 37.883,1021 42.031,1022 0.264,1023 0.578,1024 0.773,1025 0.936,1026 0.966,1027 0.966,1028 4.79,1029 1.132,1030 5.631,1031 3.086,1032 4.263,1033 4.905,1034 1.693,1035 6.438,1036 4.2,1037 6.007,1038 0.885,1039 7.185,1040 2.516,1041 3.761,1042 4.691,1044 7.318,1045 3.632,1046 7.32,1047 0.805,1048 8.84,1049 2.108,1050 5.849,1051 7.186,1052 2.158,1053 10.423,1054 5.714,1055 8.674,1056 0.428,1057 10.556,1058 1.865,1059 6.217,1060 7.843,1062 12.146,1063 6.002,1064 10.062,1066 12.312,1067 1.038,1068 7.726,1069 9.764,1070 2.745,1071 14.749,1072 7.508,1073 11.473,1074 -0.448,1075 14.095,1077 8.494,1078 10.837,1080 16.809,1081 8.199,1082 12.902,1083 -0.682,1084 15.896,1085 -1.109,1086 9.769,1087 12.514,1088 3.372,1089 19.242,1090 9.461,1091 3.109,1092 -0.873,1093 17.712,1094 -1.729,1095 10.724,1096 13.796,1098 21.449,1099 10.349,1100 2.939,1101 10.497,1102 19.538,1103 -2.094,1104 11.901,1105 15.365,1106 4.015,1107 23.82,1108 11.503,1109 2.418,1110 9.256,1111 21.373,1112 4.496,1113 12.943,1114 16.752,1116 26.093,1117 12.487,1118 2.225,1119 7.479,1120 23.215,1121 3.94,1122 14.082,1123 18.274,1124 4.667,1125 28.441,1126 13.595,1127 1.758,1128 6.635,1129 25.062,1130 3.321,1131 15.164,1132 19.714,1134 30.747,1135 14.627,1136 1.534,1137 4.884,1138 26.914,1139 2.935,1140 16.288,1141 21.216,1142 5.323,1143 33.088,1144 15.716,1145 1.441,1146 4.212,1147 28.77,1148 2.55,1149 17.389,1150 22.683,1152 35.41,1153 16.771,1154 5232,1155 8192,1156 17.394,1157 26.625,1158 37.618,1159 38.035,1160 38.001,1161 37.366,1162 37.348,1163 51.252,1164 3.846,1165 107.151,1166 36.202,1167 5.371,1168 5.306,1169 6.309,1170 5.113,1171 5.109,1172 7.496,1173 2.783,1174 17.692,1175 4.99,1176 5.529,1177 1.505,1178 1.521,1179 1.52,1180 1.495,1181 1.494,1182 2.05,1183 0.154,1184 4.286,1185 1.448,1186 4.124,1187 4.157,1188 4.081,1189 4.042,1190 5.018,1191 4.047,1192 3.952,1193 3.962,1194 3.908,1195 3.865,1196 4.92,1197 3.871,1198 3.587,1199 3.625,1200 3.507,1201 3.486,1202 4.502,1203 3.486,1204 3.355,1205 3.393,1206 3.253,1207 3.171,1208 4.305,1209 3.183,1210 3.218,1211 3.291,1212 3.069,1213 3.052,1214 4.008,1215 3.048,1216 3.084,1217 3.14,1218 2.938,1219 2.9,1220 3.999,1221 2.906,1222 2.824,1223 2.894,1224 2.685,1225 2.688,1226 3.87,1227 2.677,1228 2.783,1229 2.851,1230 2.577,1231 2.639,1232 3.54,1233 2.614,1234 0.182,1235 0.132,1236 0.265,1237 0.163,1238 0.124,1239 4.56,1240 0.18,1241 3.306,1242 0.056,1243 6.626,1244 0.42,1245 4.069,1246 0.12,1247 3.109,1248 4.496,1249 1.392,1250 10.497,1251 2.99,1252 2.079,1253 2.051,1254 2.161,1255 2.181,1256 1.3,1257 2.177,1258 1.884,1259 1.867,1260 1.976,1261 1.959,1262 1.092,1263 1.964,1264 1.56,1265 1.523,1266 1.725,1267 1.689,1268 0.798,1269 1.705,1270 1.233,1271 1.184,1272 1.547,1273 1.521,1274 0.606,1275 1.496,1276 1.217,1277 1.146,1278 1.445,1279 1.452,1280 0.578,1281 1.479,1282 1.147,1283 1.111,1284 1.404,1285 1.339,1286 0.471,1287 1.364,1288 0.839,1289 0.764,1290 1.141,1291 1.034,1292 0.212,1293 1.075,1294 0.794,1295 0.737,1296 1.08,1297 0.988,1298 0.153,1299 1.019,1300 3.932,1302 5.252,1303 2.398,1304 6.779,1305 4.595,1306 8.4,1307 6.581,1308 10.069,1310 2.085,1315 0.308,1318 10.744,1326 25.402,1327 52.711,1328 115.229,1329 154.137,1330 186.666,1331 192.666,1332 192.666,1333 20.716,1334 7.268,1335 22.34,1336 22.34,1337 23,1338 12.335,1339 4.248,1340 3.392,1341 30.099,1342 77,1343 58,1344 0.193,1345 153.355,1346 261.26,1347 365.947,1348 14582,1350 14.941,1351 0.679,1352 0.562,1353 14.941,1354 12.374,1355 10.81,1356 0.432,1357 0.295,1358 7.272,1359 10.457,1360 7.083,1361 5.891,1362 10.81,1363 7.372,1364 9.612,1365 0.275,1366 0.156,1367 9.612,1368 5.447,1369 8.639,1370 0.18,1371 0.085,1372 8.639,1373 4.092,1374 7.247,1375 0.117,1376 0.046,1377 7.247,1378 2.827,1379 5.677,1380 0.076,1381 0.025,1382 5.677,1383 1.858,1384 0.304,1385 67.296,1386 0.24,1387 21.829,1388 0.523,1389 120,1390 313.804,1391 129.721,1392 302.892,1393 429.41,1394 288,1395 143,1396 327.444,1397 153.417,1398 333.678,1399 490.31,1400 314,1401 6.742}
{0 CHEMBL1540377,1 1.952,2 13.097,3 2.135,4 4.557,5 119.21,6 9.824,7 0.324,8 4.024,9 4.107,10 3.945,11 3.632,12 5.157,13 3.605,14 4.59,15 4.727,16 4.318,17 4.044,18 5.91,19 4.005,20 4.877,21 5.028,22 4.551,23 4.243,24 6.193,25 4.172,26 4.956,27 5.115,28 4.32,29 4.149,30 6.305,31 4.077,32 4.882,33 5.086,34 4.123,35 4.004,36 6.193,37 3.922,38 4.716,39 4.919,40 4.124,41 3.932,42 5.915,43 3.859,44 4.692,45 4.868,46 4.071,47 3.898,48 6.114,49 3.833,50 4.617,51 4.807,52 3.902,53 3.841,54 5.787,55 3.716,56 0.181,57 0.755,58 7.447,59 4.541,60 23.52,61 4.585,62 0.614,63 1.238,64 14.559,65 7.357,66 53.987,67 7.849,68 0.901,69 1.536,70 36.771,71 11.99,72 92.204,73 11.892,74 1.134,75 1.509,76 35.834,77 12.978,78 172.219,79 12.498,80 1.165,81 1.39,82 34.233,83 11.55,84 154.166,85 12.49,86 0.769,87 1.256,88 30.458,89 9.838,90 85.34,91 10.725,92 0.92,93 1.182,94 26.072,95 9.328,96 147.712,97 9.849,98 0.776,99 1.041,100 26.33,101 9.079,102 90.192,103 10.232,104 37,105 50,106 0.326,107 0.614,108 0.725,109 0.819,110 0.835,111 0.849,112 3.472,113 1.028,114 -3.66,115 -3.63,116 -3.45,120 40.8,126 5,139 2,143 7,144 2,145 1,155 1,159 2,167 1,174 9,176 5,185 12,188 4,189 9,197 11,200 2,201 9,209 4,213 5,214 6,222 1,226 1,227 10,239 3,240 7,251 3,252 4,263 2,264 7,274 1509,275 20.41,276 20.41,277 20.41,278 20.41,279 20.41,280 18.162,281 18.099,282 11.569,283 20.982,284 16.673,285 16.673,286 16.673,287 16.673,288 16.673,289 13.102,290 20.073,291 5.405,292 17.728,293 3.663,294 1.936,295 1.274,296 0.709,297 0.612,298 0.531,299 4.161,303 2,307 1,308 880,309 3.808,313 407.817,317 158.409,320 2.1,321 53.813,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 68.667,333 406,334 4.939,335 4.726,336 7.668,337 4.442,338 3.518,339 4.785,340 1.986,341 13.626,342 3.226,343 4.392,344 3.847,345 6.519,346 4.003,347 3.068,348 4.247,349 1.061,350 9.971,351 2.859,352 4.347,353 3.684,354 6.172,355 3.854,356 2.859,357 3.82,358 0.588,359 9.142,360 2.839,361 3.955,362 2.974,363 6.037,364 3.705,365 2.756,366 3.122,367 0.4,368 8.592,369 2.591,370 3.473,371 2.866,372 5.54,373 3.13,374 2.237,375 2.649,376 0.068,377 6.847,378 1.978,379 3.332,380 2.631,381 5.48,382 2.968,383 2.026,384 2.559,386 6.356,387 1.816,388 3.118,389 2.355,390 4.574,391 2.632,392 1.674,393 2.427,395 4.524,396 1.618,397 3.092,398 2.11,399 4.46,400 2.618,401 1.618,402 2.138,404 4.382,405 1.582,406 2.976,407 1.884,408 4.309,409 2.522,410 1.549,411 2.067,413 4.003,414 1.474,415 2.821,416 1.618,417 4.008,418 2.332,419 1.337,420 1.891,422 3.152,423 1.324,424 2.403,425 1.547,426 3.611,427 2.068,428 1.103,429 1.312,431 2.902,432 1.051,433 2.154,434 1.286,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.28,444 3.191,445 1.65,446 0.652,447 0.975,449 1.532,450 0.65,451 1.891,452 1.146,453 3.069,454 1.28,455 0.323,456 0.424,458 0.742,459 0.268,460 1.522,461 0.696,462 2.892,463 0.97,464 0.238,465 0.292,467 0.53,468 0.143,469 15.195,470 0.49,471 0.989,472 0.032,473 39.5,474 1.274,475 19,476 0.613,477 20.5,478 0.661,479 27.047,480 0.872,481 33.405,482 0.682,483 33.215,484 1.071,485 7.804,486 0.252,487 6.965,488 0.225,489 0.182,490 0.055,491 0.309,496 0.507,497 1.42,498 0.6,499 1.124,500 0.561,501 0.884,502 0.671,503 1.064,504 0.66,505 0.746,506 0.558,507 0.796,508 0.825,509 0.985,510 0.996,511 1.15,512 0.799,513 0.989,514 1.265,515 1.12,516 1.001,517 1.203,518 1.526,519 1.168,520 1.115,521 0.916,522 0.795,523 0.807,524 1.286,525 0.929,526 0.872,527 0.967,528 0.844,529 0.994,530 0.83,531 0.941,532 0.936,533 1,534 0.838,535 1.018,536 1.004,537 1.051,538 1.032,539 1.02,540 1.075,541 1.005,542 1.117,543 1.196,544 7.5,545 0.215,546 5.556,547 2.688,548 2.062,549 1.285,550 0.832,551 0.5,552 0.311,553 0.294,554 13784,555 50781,556 2.038,557 36.7,559 17,561 1,567 1.732,568 1.869,569 3.651,570 -0.639,572 1,575 95.624,576 1.952,577 3.679,578 4.341,579 4.905,580 5.002,581 5.084,582 3.084,583 4.672,584 4.927,585 3.828,586 1780.07,587 8.58,588 25757.7,593 275.121,594 1.663,595 4.859,596 0.221,597 0.009,598 0.111,599 0.049,600 0.046,601 0.033,602 0.022,603 0.014,604 0.011,605 0.012,606 0.527,607 0.33,608 0.88,609 0.618,610 162.659,611 0.067,612 -0.223,613 0.102,614 -0.135,615 -0.063,616 -0.026,617 0.096,618 0.094,619 0.05,620 0.138,621 0.115,622 0.061,623 0.062,624 0.105,625 0.006,626 -0.07,627 0.058,628 -0.031,629 -0.134,630 -0.161,631 -0.126,632 -0.176,633 -0.183,634 -0.196,635 -0.034,636 0.018,637 0.024,638 0.13,639 -0.078,640 0.074,641 -0.003,642 0.043,643 0.049,644 -0.018,645 0.004,646 0.067,647 0.07,648 -0.023,649 -0.026,650 -0.074,651 0.104,652 -0.081,653 -0.075,654 -0.117,655 -0.114,656 -0.064,657 -0.161,658 -0.174,659 4.6,660 6.052,661 0.71,662 32.699,663 1.031,664 1.122,665 2.427,666 5.892,667 0.72,668 3.555,669 3.932,670 4.22,671 4.394,672 4.625,673 4.7,674 4.812,675 4.804,676 4.913,677 4.956,678 7.585,679 0.694,680 481.39,681 3.555,682 5.13,683 5.999,684 6.889,685 7.771,686 8.662,687 9.549,688 10.441,689 11.33,690 12.223,691 8.2,694 1,698 2,700 1,708 2,709 7,714 1,716 11,738 49,739 17,740 2,741 34,743 52,744 20,745 10,746 3,747 7,748 4,749 2,752 4,753 5,754 2,755 1,768 15,769 5,771 2,772 6,776 1,778 4,780 1,781 1,782 4,789 18,790 8,792 11,793 3,797 4,803 0.75,804 4,823 4,827 1,839 1,845 2,855 3,857 1,860 2,862 31,866 1,869 5,875 3,885 2,886 8.2,889 4,893 16.583,894 8.836,895 6.639,896 2.832,898 2.857,899 1.366,900 0.998,901 6.263,902 10.657,903 3.839,904 4.46,905 4.992,906 5.447,907 5.98,908 6.281,909 6.651,910 6.871,911 7.184,912 7.025,913 0.889,914 55,915 11.814,917 5.509,918 8.123,919 21.403,921 18.085,924 2.623,925 81.306,929 211.88,930 114.824,931 24.308,932 78.297,933 94.603,935 5.807,936 109.017,937 384.78,938 24.308,940 16.655,941 72.141,942 131.832,943 24.878,945 200.109,946 78.297,947 211.88,948 133.325,949 94.603,950 84.105,952 211.88,953 94.603,956 34.836,957 82.44,958 100.153,960 211.88,961 118.91,962 193.122,964 5.807,965 211.88,966 33.636,967 83.026,969 189.563,970 211.88,971 118.91,972 193.122,973 0.603,974 0.365,975 0.174,976 0.091,977 25,978 12,979 0.077,980 4,981 1,982 1.091,983 4.157,984 281.327,985 0.091,986 22,987 147.58,992 1,993 22.09,994 8.789,995 4.437,996 1.806,997 118.91,998 12.575,1003 0.22,1006 523.912,1007 45.5,1011 -3.683,1013 50.743,1015 1.201,1016 3.826,1017 -1.186,1020 50.509,1021 54.96,1022 0.348,1023 0.655,1024 0.773,1025 0.874,1026 0.891,1027 0.905,1028 5.116,1029 1.618,1030 6.038,1031 4.524,1032 4.615,1033 5.147,1034 2.379,1035 6.921,1036 4.498,1037 6.363,1038 1.549,1039 7.663,1040 4.382,1041 4.443,1042 5.263,1043 1.668,1044 8.165,1045 4.214,1046 7.724,1047 1.337,1048 9.404,1049 4.003,1050 6.33,1051 7.456,1052 3.194,1053 11.239,1054 6.088,1055 9.126,1056 1.103,1057 11.214,1058 3.152,1059 6.967,1060 8.4,1061 3.205,1062 13.333,1063 6.605,1064 10.566,1065 1,1066 13.071,1067 2.902,1068 8.391,1069 10.15,1070 4.329,1071 16.033,1072 8.004,1073 12.034,1074 0.652,1075 14.962,1076 2.275,1077 9.367,1078 11.436,1079 4.676,1080 18.447,1081 8.867,1082 13.522,1083 0.323,1084 16.879,1085 1.532,1086 10.64,1087 13.041,1088 5.595,1089 21.063,1090 10.091,1091 3.518,1092 0.238,1093 18.817,1094 0.742,1095 11.758,1096 14.471,1097 6.105,1098 23.596,1099 11.104,1100 3.068,1101 13.626,1102 20.771,1103 0.53,1104 12.988,1105 16.029,1106 6.917,1107 26.198,1108 12.265,1109 2.859,1110 9.971,1111 22.74,1112 4.785,1113 14.167,1114 17.52,1115 7.509,1116 28.778,1117 13.345,1118 2.756,1119 9.142,1120 24.72,1121 4.247,1122 15.39,1123 19.065,1124 8.264,1125 31.382,1126 14.486,1127 2.237,1128 8.592,1129 26.71,1130 3.82,1131 16.599,1132 20.585,1133 8.899,1134 33.98,1135 15.598,1136 2.026,1137 6.847,1138 28.708,1139 3.122,1140 17.826,1141 22.129,1142 9.623,1143 36.586,1144 16.736,1145 1.674,1146 6.356,1147 30.712,1148 2.649,1149 19.051,1150 23.664,1151 10.281,1152 39.192,1153 17.865,1154 13079,1155 25371,1156 22.076,1157 35.296,1158 52.686,1159 55.845,1160 53.751,1161 51.956,1162 51.916,1163 67.417,1164 8.204,1165 157.153,1166 48.773,1167 5.939,1168 6.726,1169 7.355,1170 5.509,1171 5.518,1172 7.785,1173 3.464,1174 21.63,1175 5.226,1176 17.864,1177 1.55,1178 1.642,1179 1.581,1180 1.528,1181 1.527,1182 1.983,1183 0.241,1184 4.622,1185 1.434,1186 4.158,1187 4.156,1188 4.744,1189 4.14,1190 7.715,1191 4.09,1192 3.923,1193 3.957,1194 4.097,1195 3.838,1196 7.432,1197 3.78,1198 3.846,1199 3.863,1200 3.966,1201 3.701,1202 7.423,1203 3.709,1204 3.665,1205 3.672,1206 3.694,1207 3.519,1208 6.999,1209 3.511,1210 3.376,1211 3.414,1212 3.393,1213 3.235,1214 5.003,1215 3.23,1216 3.25,1217 3.268,1218 3.349,1219 3.115,1220 4.883,1221 3.091,1222 3.111,1223 3.206,1224 3.246,1225 2.941,1226 4.498,1227 2.91,1228 3.017,1229 3.067,1230 3.046,1231 2.926,1232 4.379,1233 2.908,1234 0.145,1235 0.139,1236 0.226,1237 0.131,1238 0.103,1239 4.939,1240 0.141,1241 4.726,1242 0.058,1243 7.668,1244 0.401,1245 4.442,1246 0.095,1247 3.518,1248 4.785,1249 1.986,1250 13.626,1251 3.226,1252 2.094,1253 2.088,1254 2.148,1255 2.145,1256 1.355,1257 2.169,1258 1.822,1259 1.797,1260 1.956,1261 2.022,1262 1.256,1263 2.021,1264 1.714,1265 1.697,1266 1.742,1267 1.904,1268 0.91,1269 1.878,1270 1.57,1271 1.552,1272 1.634,1273 1.694,1274 0.825,1275 1.724,1276 1.322,1277 1.288,1278 1.513,1279 1.51,1280 0.821,1281 1.512,1282 1.169,1283 1.155,1284 1.463,1285 1.376,1286 0.629,1287 1.429,1288 1.153,1289 1.064,1290 1.288,1291 1.335,1292 0.46,1293 1.37,1294 1.017,1295 0.98,1296 1.113,1297 1.169,1298 0.339,1299 1.202,1300 4.234,1302 5.595,1304 7.16,1306 8.81,1308 10.5,1311 11.559,1315 0.436,1321 3.808,1326 34.001,1327 95.624,1328 180.25,1329 212.714,1330 240.366,1331 245.121,1332 249.121,1333 85.028,1334 7.8,1335 92.58,1336 100.96,1337 24,1338 12.751,1339 4.17,1340 3.644,1341 49.734,1342 145,1343 126,1344 0.17,1345 217.656,1346 387.65,1347 522.841,1348 28381,1349 4.1,1350 22.173,1351 0.715,1352 0.599,1353 23.423,1354 18.569,1355 14.769,1356 0.434,1357 0.343,1358 9.485,1359 12.848,1360 9.141,1361 7.453,1362 16.135,1363 11.646,1364 13.994,1365 0.28,1366 0.196,1367 16.017,1368 9.786,1369 12.358,1370 0.184,1371 0.117,1372 14.724,1373 7.821,1374 9.267,1375 0.116,1376 0.065,1377 10.799,1378 5.169,1379 7.323,1380 0.073,1381 0.037,1382 8.625,1383 3.719,1384 0.272,1385 107.162,1386 0.213,1387 29.404,1388 0.451,1389 168,1390 582.79,1391 256.627,1392 634.553,1393 827.35,1394 582,1395 201,1396 522.663,1397 298.272,1398 580.495,1399 853.87,1400 544,1401 5.431}
{0 CHEMBL1540565,1 1.655,2 10.139,3 2.658,4 7.066,5 128.417,6 7.57,7 0.308,8 4.291,9 4.399,10 3.856,11 3.759,12 5.413,13 3.765,14 4.868,15 5.029,16 4.207,17 4.142,18 5.981,19 4.127,20 5.142,21 5.349,22 4.323,23 4.276,24 6.324,25 4.24,26 5.137,27 5.341,28 4.377,29 4.288,30 6.344,31 4.277,32 5.187,33 5.352,34 4.557,35 4.35,36 6.674,37 4.377,38 5.269,39 5.424,40 4.61,41 4.419,42 6.757,43 4.447,44 5.337,45 5.497,46 4.596,47 4.504,48 6.719,49 4.497,50 5.429,51 5.621,52 4.559,53 4.56,54 6.646,55 4.511,56 0.139,57 0.991,58 13.323,59 6.214,60 15.86,61 7.699,62 0.613,63 1.57,64 27.431,65 10.074,66 52.207,67 13.042,68 1.144,69 1.941,70 39.471,71 12.748,72 119.06,73 17.201,74 0.9,75 2.003,76 39.034,77 12.544,78 101.191,79 16.706,80 1.256,81 2.085,82 39.927,83 12.385,84 180.165,85 15.985,86 1.448,87 2.254,88 43.406,89 13.366,90 203.053,91 16.507,92 1.575,93 2.458,94 46.565,95 15.575,96 207.418,97 19.126,98 1.629,99 2.526,100 52.401,101 18.04,102 180.737,103 23.356,104 31,105 53,106 0.263,107 0.578,108 0.764,109 0.859,110 0.868,111 0.873,112 3.616,113 0.926,114 -2.79,115 -2.8,116 -2.71,120 39.4,122 4,125 1,126 4,128 2,143 7,144 1,145 4,159 3,174 8,176 1,177 5,180 2,182 2,185 8,188 4,189 6,192 4,194 3,197 3,200 1,201 9,206 1,209 2,213 3,214 16,217 1,219 7,222 3,226 3,227 12,230 2,231 1,232 4,235 5,239 3,240 6,243 2,245 2,247 10,251 3,252 10,255 2,257 3,260 11,263 1,264 9,267 1,269 2,271 8,274 2814,275 24.526,276 24.526,277 24.526,278 24.526,279 24.526,280 22.696,281 32.74,282 14.872,283 25.186,284 19.216,285 19.216,286 19.216,287 19.216,288 19.216,289 16.275,290 41.521,291 7.015,292 20.168,293 4.389,294 2.41,295 1.241,296 0.648,297 0.587,298 0.557,299 4.308,307 1,308 775,309 4.796,312 121.462,313 354.816,317 185.267,320 1.392,321 64.862,324 1,325 0.67,326 0.83,327 1,328 1,329 1,330 1,331 0.93,332 81,333 365,334 4.512,335 4.028,336 7.079,337 4.274,338 3.309,339 4.002,340 2.088,341 12.205,342 3.191,343 4.257,344 3.752,345 6.33,346 3.869,347 2.912,348 3.857,349 1.219,350 9.487,351 2.807,352 4.101,353 3.269,354 6.15,355 3.771,356 2.791,357 3.478,358 1.058,359 8.99,360 2.704,361 3.762,362 3.151,363 5.707,364 3.51,365 2.549,366 3.013,367 0.86,368 7.611,369 2.446,370 3.582,371 3.038,372 5.472,373 3.33,374 2.337,375 2.814,376 0.86,377 6.789,378 2.303,379 3.421,380 2.607,381 5.266,382 3.156,383 2.17,384 2.474,385 0.86,386 6.424,387 2.115,388 2.946,389 2.497,390 4.569,391 2.648,392 1.717,393 2.076,394 0.651,395 4.473,396 1.598,397 2.923,398 2.232,399 4.405,400 2.53,401 1.618,402 2.06,403 0.136,404 4.233,405 1.469,406 2.857,407 2.194,408 4.246,409 2.426,410 1.488,411 1.985,413 3.589,414 1.384,415 2.752,416 2.136,417 3.772,418 2.387,419 1.414,420 1.741,422 3.061,423 1.365,424 2.617,425 1.819,426 3.62,427 2.35,428 1.397,429 1.605,431 2.966,432 1.317,433 2.472,434 1.579,435 3.587,436 2.285,437 1.321,438 1.459,440 2.913,441 1.253,442 2.208,443 1.383,444 3.521,445 2.064,446 1.075,447 1.164,449 2.496,450 1.057,451 2.11,452 1.318,453 3.302,454 1.734,455 0.771,456 0.912,458 1.705,459 0.726,460 1.882,461 1.234,462 3.178,463 1.618,464 0.681,465 0.8,467 1.569,468 0.618,469 16.486,470 0.458,471 0.768,472 0.021,473 41.75,474 1.16,475 18,476 0.5,477 23.75,478 0.66,479 36.004,480 1,481 41.114,482 0.623,483 40.544,484 1.126,485 8.41,486 0.234,487 9.08,488 0.252,489 0.108,491 0.328,494 1,496 0.72,497 1.3,498 0.748,499 1.239,500 0.535,501 1.039,502 0.92,503 1.139,504 0.912,505 1.082,506 0.606,507 1.012,508 0.867,509 0.97,510 0.897,511 0.927,512 0.803,513 0.919,514 1.06,515 1.073,516 0.846,517 0.928,518 1.234,519 0.838,520 1.125,521 1.098,522 0.865,523 0.958,524 1.471,525 0.853,526 1.33,527 1.107,528 1.025,529 0.963,530 1.645,531 0.91,532 1.247,533 1.133,534 1.121,535 1.069,536 1.529,537 1.058,538 0.951,539 1.078,540 1.032,541 1.112,542 1.057,543 1.098,544 5.5,545 0.166,546 3.778,547 2.66,548 2.733,549 1.722,550 1.242,551 0.925,552 0.616,553 0.344,554 16306,555 46613,556 2.056,557 45.5,558 4,559 20,562 2,564 4,567 1.788,568 1.929,569 3.253,570 0.204,575 109.247,576 1.655,577 3.635,578 4.803,579 5.397,580 5.457,581 5.488,582 2.692,583 4.649,584 5.137,585 3.469,586 2185.4,587 9.117,588 33831.7,593 398.93,594 1.389,595 5.102,596 0.141,597 0.004,598 0.071,599 0.047,600 0.044,601 0.024,602 0.016,603 0.013,604 0.009,605 0.006,606 0.375,607 0.33,608 0.88,609 1.257,610 190.993,611 -0.049,612 -0.153,613 0.047,614 -0.091,615 -0.017,616 -0.011,617 -0.045,618 -0.104,619 -0.012,620 -0.042,621 0.013,622 -0.029,623 0.076,624 0.033,625 0.069,626 0.047,627 0.065,628 0.05,629 -0.068,630 0.005,631 0.126,632 0.062,633 -0.079,634 0.135,635 0.038,636 -0.022,637 0.113,638 0.02,639 0.085,640 0.076,641 -0.059,642 -0.006,643 -0.034,644 0.007,645 -0.002,646 -0.002,647 -0.023,648 0.029,649 -0.142,650 -0.054,651 -0.067,652 -0.114,653 0.085,654 -0.025,655 -0.062,656 -0.093,657 -0.017,658 -0.112,659 2.799,660 7.042,661 0.583,662 36.833,663 1.017,664 1.135,665 1.556,666 2.421,667 0.642,668 3.689,669 3.989,670 4.277,671 4.554,672 4.779,673 4.852,674 5.004,675 5.153,676 5.236,677 5.187,678 6.537,679 0.623,680 499.59,681 3.689,682 5.22,683 6.071,684 6.948,685 7.824,686 8.714,687 9.602,688 10.498,689 11.394,690 12.294,691 4.5,698 3,709 7,714 5,716 12,735 2,737 1,738 66,739 15,740 2,741 39,743 69,744 26,745 12,746 5,747 7,748 2,752 4,753 5,763 5,766 6,768 15,769 11,772 3,778 3,782 3,787 1,789 30,790 10,791 2,792 10,797 3,803 0.75,804 6,822 1,823 3,827 1,838 2,839 1,854 1,855 3,859 1,861 1,862 36,869 8,871 2,872 3,874 2,875 1,885 1,886 9.1,889 3,890 1,891 2,893 18.667,894 11.843,895 8.139,896 4.043,898 1.758,899 1.233,900 0.947,901 9.05,902 9.316,903 3.892,904 4.382,905 4.875,906 5.355,907 5.857,908 6.025,909 6.35,910 6.691,911 6.915,912 6.955,913 0.857,914 57,915 13.632,917 6.041,918 8.014,919 25.181,921 20.595,924 2.514,925 90.5,929 329.591,930 142.902,931 39.146,933 108.434,934 14.96,936 142.902,937 438.025,938 54.106,939 10.883,940 65.167,941 66.334,942 100.549,943 47.55,944 14.96,945 329.591,947 329.591,948 182.048,949 123.395,952 297.467,953 144.519,954 11,956 65.167,957 116.881,960 344.551,961 147.58,962 142.902,965 329.591,966 65.685,967 80.341,968 36.022,969 123.395,970 329.591,971 162.54,972 142.902,973 0.569,974 0.338,975 0.188,976 0.104,977 23,978 11,979 0.13,980 9,981 1,982 1.095,983 4.363,984 358.286,985 0.095,986 21,987 182.117,993 26.238,994 12.417,995 6.307,997 162.54,998 10.343,1003 0.292,1005 36.022,1006 635.033,1007 48,1013 40.208,1017 -2.495,1020 67.152,1021 74.904,1022 0.274,1023 0.601,1024 0.795,1025 0.893,1026 0.903,1027 0.908,1028 5.136,1029 1.618,1030 6.043,1031 4.473,1032 4.673,1033 5.069,1034 2.924,1035 6.864,1036 4.591,1037 6.296,1038 1.488,1039 7.605,1040 4.233,1041 4.205,1042 4.808,1043 1.858,1044 7.82,1045 4.108,1046 7.584,1047 1.414,1048 9.278,1049 3.589,1050 6.26,1051 7.114,1052 3.58,1053 10.982,1054 6.109,1055 8.907,1056 1.397,1057 11.018,1058 3.061,1059 6.673,1060 7.695,1061 3.49,1062 12.834,1063 6.505,1064 10.268,1065 1.321,1066 12.803,1067 2.966,1068 8.161,1069 9.483,1070 4.682,1071 15.523,1072 7.946,1073 11.654,1074 1.075,1075 14.619,1076 2.913,1077 8.98,1078 10.439,1079 5.046,1080 17.744,1081 8.738,1082 13.059,1083 0.771,1084 16.458,1085 2.496,1086 10.252,1087 12.019,1088 6.007,1089 20.287,1090 9.969,1091 3.309,1092 0.681,1093 18.315,1094 1.705,1095 11.257,1096 13.158,1097 6.566,1098 22.664,1099 10.941,1100 2.912,1101 12.205,1102 20.186,1103 1.569,1104 12.451,1105 14.64,1106 7.419,1107 25.166,1108 12.097,1109 2.791,1110 9.487,1111 22.068,1112 4.002,1113 13.544,1114 15.876,1115 8.066,1116 27.611,1117 13.153,1118 2.549,1119 8.99,1120 23.96,1121 3.857,1122 14.714,1123 17.308,1124 8.864,1125 30.104,1126 14.286,1127 2.337,1128 7.611,1129 25.86,1130 3.478,1131 15.848,1132 18.599,1133 9.553,1134 32.578,1135 15.384,1136 2.17,1137 6.789,1138 27.768,1139 3.013,1140 17.015,1141 20.004,1142 10.323,1143 35.072,1144 16.515,1145 1.717,1146 6.424,1147 29.681,1148 2.814,1149 18.171,1150 21.327,1151 11.034,1152 37.56,1153 17.634,1154 15796,1155 26897,1156 25.948,1157 42.341,1158 57.808,1159 60.365,1160 59.972,1161 57.366,1162 57.3,1163 69.268,1164 15.464,1165 161.584,1166 54.842,1167 5.503,1168 6.028,1169 6.989,1170 5.415,1171 5.309,1172 7.002,1173 3.627,1174 19.712,1175 5.191,1176 17.316,1177 1.482,1178 1.548,1179 1.538,1180 1.471,1181 1.469,1182 1.776,1183 0.397,1184 4.143,1185 1.406,1186 4.028,1187 4.054,1188 3.986,1189 3.916,1190 8.201,1191 3.927,1192 3.891,1193 3.93,1194 3.843,1195 3.804,1196 7.498,1197 3.809,1198 3.874,1199 3.908,1200 3.757,1201 3.749,1202 7.428,1203 3.739,1204 3.663,1205 3.712,1206 3.584,1207 3.442,1208 7.353,1209 3.471,1210 3.586,1211 3.617,1212 3.495,1213 3.335,1214 4.948,1215 3.367,1216 3.418,1217 3.46,1218 3.305,1219 3.213,1220 4.654,1221 3.226,1222 3.362,1223 3.4,1224 3.241,1225 3.123,1226 4.627,1227 3.148,1228 3.109,1229 3.199,1230 2.934,1231 2.852,1232 4.345,1233 2.85,1234 0.116,1235 0.103,1236 0.182,1237 0.11,1238 0.085,1239 4.512,1240 0.103,1241 4.028,1242 0.054,1243 7.079,1244 0.313,1245 4.274,1246 0.082,1247 3.309,1248 4.002,1249 2.088,1250 12.205,1251 3.191,1252 1.944,1253 1.922,1254 2.031,1255 2.072,1256 1.212,1257 2.056,1258 1.862,1259 1.845,1260 1.963,1261 1.978,1262 1.211,1263 1.972,1264 1.643,1265 1.593,1266 1.86,1267 1.863,1268 1.193,1269 1.853,1270 1.577,1271 1.518,1272 1.847,1273 1.835,1274 1.087,1275 1.829,1276 1.575,1277 1.507,1278 1.812,1279 1.751,1280 1.024,1281 1.793,1282 1.454,1283 1.408,1284 1.69,1285 1.696,1286 0.925,1287 1.691,1288 1.342,1289 1.297,1290 1.567,1291 1.57,1292 0.686,1293 1.572,1294 1.214,1295 1.188,1296 1.479,1297 1.509,1298 0.561,1299 1.491,1300 4.369,1302 5.673,1303 2.398,1304 7.177,1305 4.443,1306 8.779,1307 6.26,1308 10.438,1310 1.485,1312 15.042,1315 4.511,1317 5.449,1318 16.233,1320 -1.585,1321 1.017,1326 41.111,1327 109.247,1328 239.879,1329 317.014,1330 356.175,1331 360.175,1332 362.175,1333 113.647,1334 7.559,1335 106.2,1336 106.2,1337 23,1338 12.817,1339 4,1340 3.322,1341 61.149,1342 128,1343 178,1344 0.213,1345 249.81,1346 455.17,1347 601.296,1348 16912,1349 1.5,1350 25.493,1351 0.708,1352 0.559,1353 24.623,1354 20.128,1355 17.49,1356 0.448,1357 0.309,1358 11.797,1359 16.536,1360 11.627,1361 9.557,1362 17.08,1363 12.041,1364 15.154,1365 0.286,1366 0.164,1367 14.626,1368 8.666,1369 12.846,1370 0.181,1371 0.088,1372 12.368,1373 6.219,1374 10.631,1375 0.113,1376 0.047,1377 10.305,1378 4.46,1379 8.519,1380 0.072,1381 0.023,1382 8.197,1383 2.664,1384 0.321,1385 111.926,1386 0.196,1387 32.07,1388 0.632,1389 184,1390 680.835,1391 210.629,1392 603.524,1393 793.67,1394 564,1395 216,1396 550.414,1397 243.208,1398 541.402,1399 799.48,1400 509,1401 4.494}
{0 CHEMBL1540861,1 1.599,2 13.39,3 3.482,4 12.122,5 156.562,6 8.159,7 0.267,8 4.311,9 4.418,10 3.955,11 3.87,12 5.542,13 3.872,14 4.806,15 4.96,16 4.345,17 4.233,18 5.998,19 4.231,20 5.032,21 5.182,22 4.506,23 4.38,24 6.316,25 4.386,26 5.182,27 5.359,28 4.484,29 4.416,30 6.517,31 4.407,32 5.179,33 5.357,34 4.508,35 4.426,36 6.54,37 4.416,38 5.164,39 5.328,40 4.519,41 4.431,42 6.641,43 4.418,44 5.14,45 5.316,46 4.438,47 4.457,48 6.468,49 4.418,50 5.166,51 5.356,52 4.438,53 4.449,54 6.461,55 4.413,56 0.093,57 0.99,58 10.997,59 5.577,60 11.442,61 6.613,62 0.394,63 1.569,64 21.563,65 8.981,66 28.723,67 11.358,68 0.45,69 1.917,70 27.285,71 10.961,72 42.133,73 13.121,74 0.92,75 2.124,76 35.635,77 12.159,78 109.164,79 14.242,80 0.76,81 2.05,82 36.205,83 13.394,84 124.191,85 16.153,86 1.131,87 2.051,88 34.968,89 12.859,90 164.795,91 15.174,92 0.568,93 2.049,94 33.064,95 13.354,96 96.529,97 16.332,98 0.53,99 2.086,100 35.204,101 13.568,102 98.22,103 16.871,104 66,105 65,106 0.248,107 0.619,108 0.743,109 0.854,110 0.877,111 0.877,112 3.742,113 0.849,114 -4.88,115 -4.78,116 -4.49,120 46.3,121 3,125 1,136 3,137 3,138 1,139 2,140 1,143 9,144 1,145 2,159 5,167 1,174 14,176 4,177 14,180 1,182 1,185 12,188 1,189 18,192 3,194 2,197 7,200 4,201 19,204 1,206 1,209 5,213 3,214 14,219 2,222 12,226 8,227 10,230 4,232 2,235 15,239 3,240 12,245 1,247 17,252 12,257 4,260 14,263 12,264 17,269 5,271 10,274 3420,275 27.474,276 27.474,277 27.474,278 27.474,279 27.474,280 24.16,281 35.829,282 15.825,283 27.858,284 22.042,285 22.042,286 22.042,287 22.042,288 22.042,289 16.871,290 44.072,291 7.351,292 22.686,293 4.467,294 2.07,295 1.268,296 0.547,297 0.403,298 0.403,299 4.439,307 1,308 1191,309 4.123,312 117.291,313 504.256,317 207.121,320 1.863,321 54.796,324 0.75,325 0.67,326 0.83,327 0.5,329 0.83,330 1,331 0.65,332 89,333 549,334 4.601,335 4.102,336 7.049,337 4.307,338 3.342,339 4.083,340 2.035,341 11.969,342 3.219,343 4.578,344 3.856,345 6.85,346 4.214,347 3.257,348 3.981,349 1.273,350 11.339,351 3.122,352 4.216,353 3.827,354 6.247,355 3.807,356 2.835,357 3.763,358 1.099,359 9.272,360 2.777,361 4.168,362 3.47,363 6.091,364 3.766,365 2.786,366 3.59,367 1.058,368 8.756,369 2.702,370 3.968,371 3.192,372 6.012,373 3.559,374 2.576,375 3.436,376 1.058,377 8.447,378 2.533,379 3.903,380 3.066,381 5.885,382 3.456,383 2.469,384 3.26,385 0.672,386 7.949,387 2.429,388 3.505,389 2.859,390 5.5,391 3.113,392 2.168,393 2.654,394 0.657,395 6.809,396 2.031,397 3.331,398 2.701,399 5.429,400 2.959,401 1.984,402 2.418,403 0.197,404 6.171,405 1.923,406 3.249,407 2.686,408 4.867,409 2.799,410 1.813,411 2.238,413 5.004,414 1.779,415 3.118,416 2.083,417 4.68,418 2.591,419 1.622,420 2.136,422 4.628,423 1.562,424 3.08,425 2.003,426 4.2,427 2.443,428 1.478,429 2.074,431 3.77,432 1.42,433 2.933,434 1.948,435 4.143,436 2.414,437 1.414,438 1.987,440 3.407,441 1.414,442 2.86,443 1.774,444 3.88,445 2.35,446 1.35,447 1.939,449 3.095,450 1.339,451 2.794,452 1.608,453 3.608,454 2.272,455 1.284,456 1.762,458 2.943,459 1.261,460 2.701,461 1.523,462 3.599,463 2.183,464 1.184,465 1.631,467 2.807,468 1.177,469 19.233,470 0.469,471 1.138,472 0.028,473 56.25,474 1.372,475 29.5,476 0.72,477 26.75,478 0.652,479 37.455,480 0.914,481 41.967,482 0.626,483 54.735,484 1.335,485 11.582,486 0.282,487 8.123,488 0.198,489 0.177,491 0.4,496 0.685,497 1.263,498 0.689,499 1.043,500 0.532,501 0.897,502 0.651,503 1.121,504 0.657,505 0.912,506 0.521,507 0.805,508 1.057,509 1.233,510 0.86,511 1.093,512 0.811,513 0.962,514 1.429,515 0.95,516 1.12,517 0.919,518 1.093,519 0.939,520 1.275,521 1.04,522 0.906,523 0.953,524 1.325,525 0.88,526 1.201,527 0.864,528 0.998,529 0.88,530 1.239,531 0.908,532 1.065,533 1.062,534 1.003,535 1.054,536 1.176,537 1.029,538 1.112,539 1.091,540 0.96,541 1.015,542 1.377,543 0.967,544 7.5,545 0.375,546 5.778,547 4.299,548 3.317,549 1.924,550 1.366,551 1.08,552 0.721,553 0.491,554 26230,555 73465,556 2.046,557 38.8,558 6,559 15,560 1,562 1,564 3,567 1.811,568 1.878,569 3.65,570 -0.376,575 107.127,576 1.599,577 3.996,578 4.798,579 5.519,580 5.663,581 5.663,582 3.028,583 5.046,584 5.332,585 3.857,586 3162.87,587 9.45,588 54127.2,593 406.428,594 1.516,595 5.269,596 0.167,597 0.008,598 0.089,599 0.058,600 0.047,601 0.026,602 0.019,603 0.016,604 0.01,605 0.008,606 0.448,607 0.17,608 0.63,609 0.721,610 230.204,611 -0.004,612 -0.149,613 0.053,614 -0.075,615 -0.042,616 -0.017,617 0.18,618 -0.037,619 0.203,620 0.044,621 0.052,622 0.108,623 0.002,624 -0.162,625 0.031,626 -0.15,627 0.025,628 -0.072,629 -0.111,630 0.102,631 -0.138,632 0.009,633 0.01,634 -0.046,635 -0.024,636 -0.059,637 0.086,638 0.022,639 0.003,640 0.067,641 0.159,642 0.15,643 -0.021,644 0.076,645 0.144,647 -0.075,648 -0.061,649 -0.069,650 -0.069,651 -0.022,652 -0.071,653 -0.122,654 -0.099,655 0.002,656 -0.031,657 -0.125,658 0.004,659 2.519,660 6.623,661 0.659,662 44.327,663 1.011,664 1.119,665 3.646,666 13.296,667 0.694,668 3.829,669 4.19,670 4.522,671 4.796,672 5.037,673 5.118,674 5.263,675 5.403,676 5.497,677 5.485,678 7.967,679 0.675,680 546.63,681 3.829,682 5.398,683 6.279,684 7.179,685 8.077,686 8.983,687 9.889,688 10.799,689 11.708,690 12.621,691 9,694 1,698 3,700 2,709 9,714 3,716 12,735 1,738 67,739 22,740 2,741 45,743 71,744 31,745 12,746 3,747 9,748 14,752 5,753 6,759 3,767 1,768 26,769 4,772 9,778 3,780 4,781 1,782 10,789 26,790 10,791 1,792 10,797 6,799 1,801 1,803 0.8,804 4,822 1,823 4,827 1,833 1,838 1,839 1,845 5,846 3,855 4,859 4,862 41,871 1,872 1,875 3,877 1,882 1,884 1,886 6,889 3,891 1,893 21.833,894 13.75,895 9.028,896 3.873,898 4.022,899 1.473,900 0.99,901 7.652,902 12.53,903 4.143,904 4.71,905 5.286,906 5.793,907 6.286,908 6.541,909 6.921,910 7.338,911 7.716,912 7.928,913 0.889,914 74,915 15.253,917 6.67,918 7.943,919 28.131,921 22.745,924 2.443,925 100.167,929 294.278,930 221.749,931 74.984,933 86.435,936 221.749,937 380.712,938 74.984,939 34.872,940 33.184,941 113.715,942 113.992,943 87.404,944 11.771,945 282.506,947 294.278,948 296.732,949 86.435,952 258.964,953 121.748,956 101.459,957 161.331,958 33.942,960 294.278,961 161.418,962 221.749,965 294.278,966 47.512,967 166.762,968 34.612,969 134.28,970 294.278,971 161.418,972 221.749,973 0.59,974 0.367,975 0.199,976 0.109,977 31,978 16,979 0.085,980 6,981 1,982 1.074,983 4.752,984 433.98,985 0.074,986 27,987 211.66,993 27.7,994 11.326,995 5.202,997 161.418,998 16.192,1003 1.89,1005 18.011,1006 677.444,1007 62,1013 40.235,1015 6.209,1016 4.578,1017 -0.771,1020 67.756,1021 74.979,1022 0.264,1023 0.659,1024 0.791,1025 0.91,1026 0.934,1027 0.934,1028 5.421,1029 1.984,1030 6.29,1031 6.809,1032 4.875,1033 5.398,1034 3.05,1035 7.163,1036 4.817,1037 6.654,1038 1.813,1039 7.896,1040 6.171,1041 4.575,1042 5.19,1043 0.325,1044 8.189,1045 4.485,1046 7.981,1047 1.622,1048 9.605,1049 5.004,1050 6.532,1051 7.545,1052 3.882,1053 11.339,1054 6.405,1055 9.342,1056 1.478,1057 11.372,1058 4.628,1059 7.057,1060 8.13,1061 0.766,1062 13.185,1063 6.894,1064 10.732,1065 1.414,1066 13.175,1067 3.77,1068 8.503,1069 9.959,1070 5.07,1071 15.87,1072 8.303,1073 12.146,1074 1.35,1075 15.004,1076 3.407,1077 9.393,1078 10.918,1079 1.259,1080 18.058,1081 9.153,1082 13.577,1083 1.284,1084 16.85,1085 3.095,1086 10.656,1087 12.518,1088 6.413,1089 20.588,1090 10.379,1091 3.342,1092 1.184,1093 18.71,1094 2.943,1095 11.707,1096 13.667,1097 1.773,1098 22.927,1099 11.388,1100 3.257,1101 11.969,1102 20.582,1103 2.807,1104 12.906,1105 15.157,1106 7.808,1107 25.405,1108 12.549,1109 2.835,1110 11.339,1111 22.462,1112 4.083,1113 14.029,1114 16.407,1115 2.298,1116 27.812,1117 13.629,1118 2.786,1119 9.272,1120 24.351,1121 3.981,1122 15.211,1123 17.842,1124 9.221,1125 30.276,1126 14.771,1127 2.576,1128 8.756,1129 26.246,1130 3.763,1131 16.367,1132 19.148,1133 2.824,1134 32.714,1135 15.885,1136 2.469,1137 8.447,1138 28.146,1139 3.59,1140 17.547,1141 20.556,1142 10.639,1143 35.175,1144 17.024,1145 2.168,1146 7.949,1147 30.052,1148 3.436,1149 18.719,1150 21.894,1151 3.349,1152 37.627,1153 18.154,1154 24798,1155 41772,1156 29.361,1157 46.466,1158 70.974,1159 74.312,1160 71.944,1161 67.632,1162 67.601,1163 88.333,1164 16.099,1165 202.703,1166 65.769,1167 5.543,1168 6.102,1169 6.851,1170 5.395,1171 5.342,1172 7.083,1173 4.069,1174 19.582,1175 5.219,1176 24.295,1177 1.577,1178 1.651,1179 1.599,1180 1.503,1181 1.502,1182 1.963,1183 0.358,1184 4.505,1185 1.462,1186 4.031,1187 4.063,1188 3.999,1189 3.907,1190 7.436,1191 3.922,1192 3.957,1193 3.993,1194 3.92,1195 3.842,1196 7.426,1197 3.85,1198 3.882,1199 3.912,1200 3.821,1201 3.801,1202 7.424,1203 3.804,1204 3.786,1205 3.821,1206 3.731,1207 3.668,1208 6.818,1209 3.682,1210 3.681,1211 3.71,1212 3.63,1213 3.58,1214 4.947,1215 3.589,1216 3.438,1217 3.466,1218 3.395,1219 3.265,1220 4.768,1221 3.297,1222 3.209,1223 3.281,1224 3.093,1225 3.049,1226 4.73,1227 3.042,1228 3.17,1229 3.258,1230 3.048,1231 3.024,1232 4.47,1233 2.999,1234 0.102,1235 0.091,1236 0.157,1237 0.096,1238 0.074,1239 4.601,1240 0.091,1241 4.102,1242 0.045,1243 7.049,1244 0.266,1245 4.307,1246 0.072,1247 3.342,1248 4.083,1249 2.035,1250 11.969,1251 3.219,1252 1.923,1253 1.901,1254 2.028,1255 2.06,1256 1.122,1257 2.04,1258 1.886,1259 1.855,1260 2.006,1261 1.99,1262 1.073,1263 1.995,1264 1.869,1265 1.839,1266 1.974,1267 1.973,1268 1.072,1269 1.981,1270 1.714,1271 1.687,1272 1.826,1273 1.873,1274 0.942,1275 1.855,1276 1.598,1277 1.561,1278 1.75,1279 1.745,1280 0.843,1281 1.75,1282 1.36,1283 1.321,1284 1.584,1285 1.623,1286 0.642,1287 1.602,1288 1.292,1289 1.239,1290 1.552,1291 1.52,1292 0.603,1293 1.511,1294 1.209,1295 1.139,1296 1.536,1297 1.418,1298 0.579,1299 1.469,1300 4.511,1302 5.861,1303 2.398,1304 7.413,1305 4.949,1306 9.056,1307 7.182,1308 10.747,1310 7.039,1317 2.571,1318 6.067,1321 4.356,1324 9.947,1325 1.854,1326 45.256,1327 107.127,1328 267.754,1329 321.495,1330 369.799,1331 379.408,1332 379.408,1333 103.329,1334 8.508,1335 123.42,1336 123.42,1337 29,1338 13.135,1339 4.524,1340 4.17,1341 66.046,1342 196,1343 208,1344 0.161,1345 278.151,1346 517.54,1347 670.449,1348 67986,1350 29.258,1351 0.714,1352 0.558,1353 29.258,1354 22.875,1355 19.706,1356 0.438,1357 0.283,1358 12.553,1359 18.954,1360 12.126,1361 10.148,1362 19.706,1363 12.736,1364 17.846,1365 0.275,1366 0.145,1367 17.846,1368 9.449,1369 16.04,1370 0.176,1371 0.075,1372 16.04,1373 6.796,1374 13.23,1375 0.11,1376 0.037,1377 13.23,1378 4.455,1379 10.676,1380 0.07,1381 0.019,1382 10.676,1383 2.917,1384 0.251,1385 123.612,1386 0.185,1387 36.144,1388 0.446,1389 220,1390 697.501,1391 244.061,1392 677.14,1393 928.4,1394 630,1395 266,1396 698.757,1397 293.087,1398 705.352,1399 1038.03,1400 662,1401 4.919}
{0 CHEMBL1541118,1 2.001,2 12.313,3 4.461,4 19.904,5 99.414,6 10.252,7 0.353,8 3.971,9 4.053,10 3.752,11 3.433,12 5.363,13 3.506,14 4.539,15 4.649,16 4.267,17 3.811,18 6.6,19 3.894,20 4.702,21 4.849,22 4.19,23 3.908,24 6.228,25 3.96,26 4.837,27 5.02,28 4.167,29 3.823,30 6.368,31 3.914,32 4.689,33 4.845,34 4.202,35 3.724,36 6.209,37 3.846,38 4.856,39 5.052,40 4.293,41 3.586,42 7.024,43 3.737,44 4.444,45 4.592,46 3.836,47 3.45,48 6.025,49 3.557,50 4.37,51 4.506,52 3.931,53 3.391,54 6.388,55 3.502,56 0.594,57 1.13,58 3.411,59 4.284,60 105.925,61 3.504,62 1.805,63 2.289,64 10.194,65 7.253,66 319.335,67 6.031,68 1.521,69 1.832,70 13.356,71 8.421,72 211.616,73 8.094,74 2.271,75 1.841,76 23.876,77 8.88,78 383.985,79 7.693,80 1.693,81 1.921,82 15.986,83 8.106,84 278.661,85 7.466,86 3.379,87 2.471,88 29.211,89 7.867,90 577.713,91 6.366,92 1.566,93 1.089,94 14.948,95 5.817,96 251.236,97 4.739,98 1.507,99 1.061,100 12.253,101 5.444,102 301.515,103 5.109,104 91,105 51,106 0.343,107 0.655,108 0.751,109 0.819,110 0.829,111 0.829,112 3.502,113 0.783,114 -5.51,115 -5.38,116 -5.03,120 42.2,122 1,126 1,128 1,133 2,143 7,144 4,145 1,158 1,159 1,167 3,174 10,176 1,177 5,180 1,182 1,185 11,188 1,189 10,192 1,194 3,197 7,200 1,201 9,204 1,206 2,209 1,213 1,214 9,219 2,222 2,226 3,227 10,232 2,235 2,239 2,240 6,245 1,247 3,251 1,252 4,255 1,257 1,260 5,263 2,264 1,267 2,271 7,274 1722,275 20.046,276 20.046,277 20.046,278 20.046,279 20.046,280 18.047,281 25.143,282 11.315,283 20.744,284 16.765,285 16.765,286 16.765,287 16.765,288 16.765,289 13.581,290 30.711,291 5.38,292 18.006,293 3.491,294 1.671,295 1.109,296 0.717,297 0.656,298 0.656,299 4.171,306 1,307 1,308 816,309 4.848,312 98.287,313 240.632,320 2.043,321 89.496,324 0.75,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.81,332 78.5,333 394,334 4.565,335 4.482,336 7.183,337 4.277,338 3.398,339 4.052,340 3.825,341 11.963,342 3.035,343 4.36,344 4.439,345 7.052,346 4.059,347 3.23,348 4.029,349 3.825,350 11.446,351 2.935,352 4.292,353 4.157,354 6.285,355 3.985,356 3.008,357 3.534,358 2.612,359 9.545,360 2.683,361 4.112,362 3.78,363 5.995,364 3.738,365 2.764,366 3.425,367 2.543,368 8.488,369 2.676,370 3.849,371 3.597,372 5.787,373 3.475,374 2.506,375 3.097,376 1.903,377 7.728,378 2.422,379 3.694,380 2.828,381 5.421,382 3.355,383 2.395,384 2.95,385 0.632,386 7.219,387 2.261,388 3.292,389 2.775,390 4.652,391 2.746,392 1.778,393 2.544,394 0.504,395 4.933,396 1.717,397 2.948,398 2.125,399 4.514,400 2.554,401 1.619,402 2.059,404 4.531,405 1.461,406 2.794,407 2.053,408 4.377,409 2.321,410 1.341,411 1.839,413 3.92,414 1.305,415 2.65,416 1.946,417 3.987,418 2.211,419 1.285,420 1.698,422 3.26,423 1.157,424 2.586,425 1.634,426 3.661,427 2,428 1,429 1.584,431 2.528,432 1,433 2.335,434 1.422,435 3.435,436 1.899,437 0.947,438 1.209,440 2.321,441 0.896,442 1.749,443 1.116,444 3.271,445 1.651,446 0.672,447 0.696,449 1.651,450 0.655,451 1.712,452 1.107,453 3.026,454 1.386,455 0.385,456 0.478,458 0.918,459 0.38,460 1,461 1,462 2.861,463 0.441,464 -0.559,465 -0.715,467 -1.523,468 -0.555,469 13.748,470 0.43,471 1.331,472 0.042,473 38.75,474 1.211,475 18,476 0.563,477 20.75,478 0.648,479 26.389,480 0.825,481 37.252,482 0.828,483 38.642,484 1.208,485 8.282,486 0.259,487 6.56,488 0.205,489 0.197,490 0.073,491 0.32,493 6,496 0.549,497 0.88,498 0.513,499 0.997,500 0.617,501 0.878,502 0.45,503 0.693,504 0.593,505 1.005,506 0.385,507 1.002,508 0.665,509 0.917,510 0.84,511 1.219,512 0.576,513 1.242,514 1.161,515 0.965,516 1.207,517 0.949,518 1.128,519 1.021,520 0.948,521 1.198,522 0.817,523 1.328,524 0.865,525 1.15,526 1.097,527 0.605,528 1.281,529 0.635,530 1.11,531 0.871,532 1.112,533 0.823,534 1.147,535 0.927,536 1.099,537 0.994,538 0.643,539 0.858,540 0.758,541 1.015,542 0.653,543 1.036,544 10.5,545 0.261,546 4.667,547 2.188,548 2.251,549 1.986,550 0.47,551 0.635,552 0.464,553 0.226,554 13799,555 70869,556 1.926,557 28.9,559 10,562 1,563 2,567 1.743,568 1.73,569 3.537,570 -0.186,572 1,575 90.052,576 2.001,577 3.821,578 4.383,579 4.775,580 4.836,581 4.836,582 2.864,583 4.078,584 4.976,585 3.813,586 1891.09,587 8.689,588 28612.7,593 247.133,594 1.81,595 4.87,596 0.309,597 0.01,598 0.092,599 0.045,600 0.049,601 0.042,602 0.011,603 0.019,604 0.014,605 0.007,606 0.597,607 0.17,608 0.75,609 0.991,610 169.921,611 0.044,612 0.011,613 0.017,614 0.059,615 -0.053,616 0.026,617 0.376,618 0.325,619 0.139,620 0.045,621 0.411,622 -0.076,623 -0.005,624 -0.174,625 -0.013,626 -0.237,627 0.038,628 -0.195,629 -0.268,630 -0.117,631 -0.17,632 -0.005,633 -0.233,634 0.026,635 -0.127,636 -0.375,637 0.135,638 -0.357,639 -0.083,640 -0.105,641 0.177,642 0.581,643 -0.072,644 0.296,645 0.156,646 0.073,647 -0.232,648 -0.087,649 -0.17,650 0.005,651 -0.231,652 0.01,653 0.233,654 -0.069,655 0.192,656 -0.074,657 0.262,658 -0.045,659 6.254,660 5.272,661 0.531,662 32.938,663 1.084,664 1.171,665 4.278,666 18.3,667 0.657,668 3.555,669 3.951,670 4.111,671 4.29,672 4.543,673 4.615,674 4.644,675 4.644,676 4.635,677 4.682,678 7.722,679 0.699,680 461.35,681 3.555,682 5.142,683 5.974,684 6.87,685 7.729,686 8.62,687 9.488,688 10.376,689 11.249,690 12.136,691 6.7,698 1,700 1,702 1,709 7,714 5,716 12,720 1,731 1,738 45,739 16,740 2,741 34,743 47,744 19,745 12,746 5,747 7,748 1,752 3,753 3,759 2,763 2,765 2,766 2,768 14,769 5,772 4,775 1,778 3,781 1,782 2,786 1,787 6,789 13,790 12,791 1,792 13,797 3,803 1,804 4,822 1,823 2,838 1,855 3,861 6,862 32,869 2,871 1,872 1,874 1,876 2,885 6,886 8.9,889 1,891 1,892 2,893 18.5,894 8.09,895 6.667,896 2.442,898 2.697,899 1.358,900 0.957,901 6.476,902 10.236,903 3.807,904 4.407,905 4.86,906 5.335,907 5.862,908 6.051,909 6.317,910 6.284,911 6.403,912 6.595,913 0.875,914 49,915 13.728,917 7.772,918 9.016,919 20.366,921 16.603,924 3.516,925 112.5,928 1,929 141.253,930 109.453,931 43.081,933 87.111,934 89.761,936 109.453,937 228.364,938 132.841,939 5.67,940 22.651,941 66.334,942 32.606,943 135.878,945 141.253,946 66.266,947 141.253,948 152.534,949 176.871,952 141.253,953 126.124,954 50.747,956 57.57,957 89.294,958 5.67,960 231.014,961 130.191,962 109.453,965 156.772,966 27.601,967 72.004,968 18.011,969 196.271,970 141.253,971 219.952,972 109.453,973 0.61,974 0.327,975 0.15,976 0.091,977 24,978 13,979 0.106,980 5,982 1,983 4.125,984 283.016,986 17,987 136.49,993 23.557,994 8.797,995 5.787,997 214.282,998 6.417,1003 -3.265,1005 18.011,1006 470.659,1007 44,1010 -0.617,1013 33.996,1016 3.692,1017 -0.59,1020 48.76,1021 52.692,1022 0.364,1023 0.696,1024 0.798,1025 0.869,1026 0.881,1027 0.881,1028 5.1,1029 1.619,1030 6.057,1031 4.933,1032 4.635,1033 5.094,1034 4.279,1035 6.932,1036 4.505,1037 6.359,1038 1.341,1039 7.681,1040 4.531,1041 4.635,1042 5.139,1043 4.715,1044 8.23,1045 4.307,1046 7.709,1047 1.285,1048 9.417,1049 3.92,1050 6.389,1051 7.266,1052 6.42,1053 11.175,1054 6.097,1055 9.088,1056 1,1057 11.218,1058 3.26,1059 7.107,1060 8.004,1061 7.45,1062 13.202,1063 6.609,1064 10.493,1065 0.947,1066 13.058,1067 2.528,1068 8.465,1069 9.715,1070 8.893,1071 15.787,1072 7.965,1073 11.915,1074 0.672,1075 14.925,1076 2.321,1077 9.457,1078 10.756,1079 10.116,1080 18.076,1081 8.775,1082 13.35,1083 0.385,1084 16.81,1085 1.651,1086 10.69,1087 12.299,1088 11.49,1089 20.562,1090 9.961,1091 3.398,1092 -0.559,1093 18.71,1094 0.918,1095 11.793,1096 13.492,1097 12.784,1098 22.953,1099 10.908,1100 3.23,1101 11.963,1102 20.621,1103 -1.523,1104 12.987,1105 14.957,1106 14.138,1107 25.414,1108 12.026,1109 3.008,1110 11.446,1111 22.54,1112 4.052,1113 14.138,1114 16.234,1115 15.459,1116 27.845,1117 13.039,1118 2.764,1119 9.545,1120 24.467,1121 4.029,1122 15.324,1123 17.66,1124 16.805,1125 30.303,1126 14.13,1127 2.506,1128 8.488,1129 26.399,1130 3.534,1131 16.497,1132 18.985,1133 18.138,1134 32.752,1135 15.176,1136 2.395,1137 7.728,1138 28.336,1139 3.425,1140 17.685,1141 20.392,1142 19.482,1143 35.212,1144 16.259,1145 1.778,1146 7.219,1147 30.277,1148 3.097,1149 18.87,1150 21.744,1151 20.819,1152 37.67,1153 17.324,1154 13700,1155 31273,1156 20.978,1157 29.551,1158 53.644,1159 54.846,1160 53.289,1161 53.126,1162 52.656,1163 66.386,1164 31.689,1165 160.903,1166 49.168,1167 5.504,1168 6.482,1169 6.727,1170 5.323,1171 5.398,1172 7.052,1173 6.341,1174 19.27,1175 5.035,1176 22.817,1177 1.578,1178 1.613,1179 1.567,1180 1.563,1181 1.549,1182 1.953,1183 0.932,1184 4.732,1185 1.446,1186 4.031,1187 4.057,1188 3.994,1189 3.923,1190 8.518,1191 3.931,1192 3.973,1193 3.998,1194 3.944,1195 3.882,1196 8.509,1197 3.888,1198 3.77,1199 3.798,1200 3.725,1201 3.549,1202 7.999,1203 3.579,1204 3.5,1205 3.539,1206 3.475,1207 3.205,1208 7.999,1209 3.242,1210 3.431,1211 3.47,1212 3.464,1213 3.113,1214 7.999,1215 3.179,1216 3.381,1217 3.427,1218 3.321,1219 3.033,1220 7.999,1221 3.112,1222 3.138,1223 3.175,1224 3.118,1225 2.884,1226 7.815,1227 2.921,1228 2.872,1229 2.935,1230 2.773,1231 2.619,1232 7.428,1233 2.641,1234 0.134,1235 0.132,1236 0.211,1237 0.126,1238 0.1,1239 4.565,1240 0.119,1241 4.482,1242 0.113,1243 7.183,1244 0.352,1245 4.277,1246 0.089,1247 3.398,1248 4.052,1249 3.825,1250 11.963,1251 3.035,1252 1.941,1253 1.92,1254 2.027,1255 2.084,1256 1.207,1257 2.05,1258 1.93,1259 1.907,1260 2.019,1261 2.041,1262 1.163,1263 2.032,1264 1.572,1265 1.536,1266 1.736,1267 1.804,1268 0.983,1269 1.774,1270 1.335,1271 1.288,1272 1.525,1273 1.692,1274 0.714,1275 1.6,1276 1.197,1277 1.16,1278 1.293,1279 1.532,1280 0.334,1281 1.487,1282 1.179,1283 1.151,1284 1.237,1285 1.504,1286 0.308,1287 1.414,1288 1.078,1289 1.041,1290 1.224,1291 1.38,1292 0.213,1293 1.325,1294 0.781,1295 0.718,1296 1.025,1297 1.171,1298 0.085,1299 1.089,1300 4.234,1302 5.609,1303 2.398,1304 7.146,1305 4.595,1306 8.752,1307 6.605,1308 10.396,1312 77.587,1315 -0.707,1317 2.22,1318 4.973,1320 -1.197,1322 -10.009,1326 31.438,1327 90.052,1328 171.956,1329 197.217,1330 214.869,1331 217.624,1332 217.624,1333 129.751,1334 7.54,1335 96.51,1336 96.51,1337 17,1338 12.67,1339 4.087,1340 3.459,1341 61.413,1342 152,1343 132,1344 0.198,1345 188.055,1346 359.2,1347 450.615,1348 20169,1349 13.3,1350 23.681,1351 0.74,1352 0.495,1353 18.681,1354 15.828,1355 14.841,1356 0.437,1357 0.261,1358 8.608,1359 13.679,1360 8.596,1361 6.973,1362 12.419,1363 8.88,1364 15.518,1365 0.304,1366 0.133,1367 11.602,1368 6.776,1369 10.968,1370 0.183,1371 0.074,1372 8.99,1373 4.466,1374 8.119,1375 0.113,1376 0.04,1377 7.382,1378 2.912,1379 6.89,1380 0.074,1381 0.021,1382 5.347,1383 1.966,1384 0.318,1385 97.841,1386 0.218,1387 30.101,1388 0.527,1389 170,1390 1013.23,1391 219.41,1392 798.327,1393 994.5,1394 728,1395 196,1396 671.805,1397 232.913,1398 627.256,1399 945.38,1400 584,1401 4.416}
{0 CHEMBL1541405,1 1.81,2 8.565,3 5.232,4 27.376,5 83.481,6 10.102,7 0.72,8 3.635,9 3.723,10 3.495,11 3.294,12 4.935,13 3.279,14 4.119,15 4.229,16 3.962,17 3.627,18 5.966,19 3.606,20 4.257,21 4.422,22 3.957,23 3.688,24 5.651,25 3.622,26 4.21,27 4.381,28 4.039,29 3.509,30 5.82,31 3.497,32 4.011,33 4.168,34 3.713,35 3.421,36 5.406,37 3.437,38 4.066,39 4.197,40 3.778,41 3.474,42 5.594,43 3.492,44 4.19,45 4.344,46 3.742,47 3.404,48 5.857,49 3.458,50 4.143,51 4.33,52 3.432,53 3.209,54 5.795,55 3.259,56 0.152,57 0.713,58 2.829,59 2.926,60 25.732,61 2.719,62 0.729,63 1.479,64 6.769,65 4.957,66 124.644,67 4.312,68 0.461,69 1.25,70 13.734,71 6.438,72 53.719,73 6.553,74 0.598,75 1.384,76 17.455,77 6.162,78 62.892,79 5.253,80 0.333,81 1.019,82 8.571,83 4.114,84 44.733,85 3.487,86 0.352,87 1.177,88 8.367,89 4.622,90 40.52,91 3.457,92 0.618,93 1.416,94 11.483,95 5.647,96 82.55,97 3.88,98 0.771,99 1.294,100 12.288,101 5.607,102 115.087,103 3.877,104 11,105 35,106 0.332,107 0.518,108 0.605,109 0.734,110 0.798,111 0.809,112 3.189,113 0.895,114 -5.85,115 -5.71,116 -5.31,120 48.5,133 1,143 10,144 1,145 1,147 1,148 1,150 1,167 1,174 10,176 1,177 3,185 12,188 1,189 6,197 7,201 9,209 2,214 8,222 2,227 6,235 4,240 3,247 7,252 1,260 9,271 8,274 777,275 15.317,276 15.317,277 15.317,278 15.317,279 15.317,280 13.192,281 6.678,282 9.198,283 15.869,284 12.393,285 12.393,286 12.393,287 12.393,288 12.393,289 9.313,290 5.303,291 4.421,292 13.419,293 3.234,294 2.218,295 1.742,296 1.038,297 0.69,298 0.629,299 3.869,306 1,307 1,308 419,309 3.082,313 226.154,320 1.187,321 34.899,324 0.75,325 0.83,326 1,327 0.4,329 1,330 1,331 0.71,332 52,333 197,334 4.568,335 4.636,336 7.251,337 4.246,338 3.386,339 4.121,340 3.825,341 12.259,342 2.935,343 4.166,344 4.387,345 6.168,346 3.797,347 2.85,348 3.648,349 2.95,350 9.158,351 2.697,352 3.915,353 3.155,354 5.662,355 3.475,356 2.574,357 3.432,359 7.712,360 2.322,361 3.567,362 2.773,363 5.208,364 3.104,365 2.193,366 2.892,368 6.418,369 1.948,370 3.192,371 1.949,372 4.436,373 2.717,374 1.762,375 2.44,377 4.393,378 1.652,379 2.889,380 1.742,381 4.15,382 2.414,383 1.462,384 2.048,386 3.527,387 1.376,388 2.723,389 1.633,390 3.58,391 2.209,392 1.263,393 1.824,395 2.955,396 1.186,397 2.546,398 1.132,399 3.508,400 2.023,401 1.078,402 1.567,404 2.657,405 1.008,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 1.377,425 0.726,426 3.019,427 0.967,428 0.097,429 0.12,431 0.262,432 0.083,433 0.992,434 0.51,435 2.701,436 0.579,437 -0.366,438 -0.473,440 -0.928,441 -0.342,442 0.709,443 0.51,444 2.454,445 0.227,446 -0.709,447 -0.949,449 -1.673,450 -0.643,451 0.56,452 0.408,453 2.154,454 0.044,455 -0.912,456 -1,458 -2.317,459 -0.7,460 0.5,461 -0.275,462 2,464 -1,465 -1,467 -2.347,468 -0.7,469 10.89,470 0.473,471 0.634,472 0.028,473 32.75,474 1.424,475 18.5,476 0.804,477 14.25,478 0.62,479 14.989,480 0.652,481 23.91,482 0.725,483 24.194,484 1.052,485 6.703,486 0.291,487 4.335,488 0.188,489 0.079,490 0.046,491 0.23,493 3,496 0.515,497 0.789,498 0.603,499 0.804,500 0.588,501 0.78,502 0.38,503 0.75,504 0.727,505 0.953,506 0.374,507 0.97,508 0.445,509 0.781,510 0.996,511 1.114,512 0.471,513 1.011,514 0.576,515 0.9,516 0.99,517 1.262,518 0.677,519 0.896,520 0.894,521 0.99,522 0.833,523 0.82,524 0.77,525 0.712,526 1.118,527 1.236,528 1.096,529 1.124,530 0.983,531 0.962,532 1.855,533 1.545,534 1.289,535 1.145,536 1.781,537 1.049,538 2.284,539 1.523,540 1.41,541 0.996,542 2.314,543 1.14,544 5,545 0.016,546 2.444,547 1.563,548 0.996,549 0.951,550 0.691,551 0.399,552 0.16,553 0.069,554 5223,555 19424,556 2.057,557 30.3,559 10,567 1.664,568 1.93,569 3.063,570 -0.686,575 59.736,576 1.81,577 2.826,578 3.302,579 4.006,580 4.355,581 4.415,582 2.452,583 3.882,584 4.494,585 3.206,586 811.142,587 7.774,588 9189.29,593 166.465,594 1.495,595 4.448,596 0.2,597 0.004,598 0.07,599 0.046,600 0.031,601 0.032,602 0.022,603 0.014,604 0.008,605 0.006,606 0.433,607 0.5,608 0.88,609 0.777,610 106.075,611 0.009,612 0.013,613 0.035,614 0.039,615 -0.098,616 0.016,617 0.486,618 0.242,619 0.103,620 -0.011,621 0.485,622 -0.147,623 0.181,624 -0.01,625 0.127,626 -0.05,627 0.107,628 -0.001,629 0.32,630 0.041,631 0.316,632 -0.113,633 0.167,634 0.077,635 -0.152,636 -0.136,637 0.01,638 0.053,639 -0.081,640 0.149,641 -0.202,642 -0.235,643 -0.208,644 -0.181,645 -0.077,646 -0.141,647 -0.393,648 -0.232,649 -0.36,650 -0.169,651 -0.248,652 -0.196,653 -0.537,654 -0.074,655 -0.508,656 -0.045,657 -0.46,658 -0.227,659 5.855,660 5.129,661 0.783,662 17.985,663 1.041,664 1.137,665 4.617,666 21.317,667 0.736,668 3.258,669 3.584,670 3.784,671 4.025,672 4.234,673 4.304,674 4.443,675 4.443,676 4.454,677 4.443,678 5.27,679 0.728,680 333.36,681 3.258,682 4.796,683 5.624,684 6.503,685 7.352,686 8.238,687 9.097,688 9.988,689 10.852,690 11.745,691 9.1,701 3,706 1,709 10,710 3,714 5,716 18,738 33,739 18,740 2,741 25,743 35,744 16,745 15,746 2,747 10,752 3,753 3,759 1,765 1,768 15,769 1,787 3,789 10,790 6,792 7,793 1,797 3,803 1,823 3,855 3,856 1,857 1,861 3,862 23,873 1,876 1,885 3,893 11.917,894 6.029,895 4.972,896 1.84,898 3.069,899 1.453,900 1.004,901 4.314,902 9.845,903 3.555,904 4.151,905 4.698,906 5.261,907 5.813,908 5.99,909 6.448,910 6.782,911 7.125,912 7.434,913 0.833,914 34,915 8.989,917 4.334,918 8.301,919 15.37,921 12.299,924 2.801,925 64.417,929 117.711,930 145.684,931 50.112,934 44.88,935 32.22,936 113.465,937 117.711,938 94.992,941 94.762,942 50.112,943 54.701,944 1.122,945 149.931,946 7.76,947 117.711,948 163.576,949 44.88,950 32.22,952 120.039,953 44.88,956 10.516,957 100.621,958 50.112,959 32.22,960 162.591,961 50.112,962 145.684,965 125.471,966 43.162,967 94.762,969 94.992,970 117.711,971 94.992,972 145.684,973 0.583,974 0.319,975 0.17,976 0.093,977 17,978 7,979 0.086,980 3,982 1,983 3.472,984 183.241,986 18,987 91.287,989 1,993 15.516,994 6.395,995 3.693,997 94.992,998 17.515,999 11.061,1003 0.141,1006 358.387,1007 34,1020 34.338,1021 37.51,1022 0.359,1023 0.56,1024 0.655,1025 0.794,1026 0.863,1027 0.875,1028 4.775,1029 1.078,1030 5.638,1031 2.955,1032 4.263,1033 4.836,1034 3.644,1035 6.472,1036 4.101,1037 5.996,1038 1,1039 7.216,1040 2.657,1041 4.007,1042 4.527,1043 3.903,1044 7.67,1045 3.587,1046 7.306,1047 1,1048 8.916,1049 2.136,1050 5.927,1051 7.002,1052 5.933,1053 10.686,1054 5.562,1055 8.654,1056 0.097,1057 10.693,1058 2.136,1059 6.494,1060 7.463,1061 6.69,1062 12.709,1063 5.852,1064 10.034,1065 -0.366,1066 12.521,1067 0.262,1068 7.942,1069 9.431,1070 8.407,1071 15.344,1072 7.323,1073 11.439,1074 -0.709,1075 14.384,1076 -0.928,1077 8.866,1078 10.286,1079 9.388,1080 17.663,1081 7.998,1082 12.862,1083 -0.912,1084 16.271,1085 -1.673,1086 10.143,1087 11.998,1088 10.957,1089 20.196,1090 9.241,1091 3.386,1092 -1,1093 18.178,1094 -2.317,1095 11.224,1096 13.076,1097 12.074,1098 22.627,1099 10.108,1100 2.85,1101 12.259,1102 20.098,1103 -2.347,1104 12.444,1105 14.647,1106 13.555,1107 25.135,1108 11.246,1109 2.574,1110 9.158,1111 22.03,1112 4.121,1113 13.595,1114 15.857,1115 14.758,1116 27.609,1117 12.208,1118 2.193,1119 7.712,1120 23.971,1121 3.648,1122 14.8,1123 17.35,1124 16.184,1125 30.112,1126 13.3,1127 1.762,1128 6.418,1129 25.918,1130 3.432,1131 15.982,1132 18.64,1133 17.441,1134 32.604,1135 14.311,1136 1.462,1137 4.393,1138 27.872,1139 2.892,1140 17.186,1141 20.09,1142 18.834,1143 35.107,1144 15.383,1145 1.263,1146 3.527,1147 29.83,1148 2.44,1149 18.383,1150 21.428,1151 20.124,1152 37.607,1153 16.418,1154 5115,1155 10087,1156 16.583,1157 24.284,1158 37.968,1159 38.752,1160 37.351,1161 37.574,1162 37.332,1163 50.183,1164 13.551,1165 107.225,1166 34.414,1167 5.353,1168 6.636,1169 7.053,1170 5.376,1171 5.386,1172 7.121,1173 6.775,1174 19.81,1175 4.935,1176 9.987,1177 1.519,1178 1.55,1179 1.494,1180 1.503,1181 1.493,1182 2.007,1183 0.542,1184 4.289,1185 1.377,1186 3.978,1187 4.012,1188 4.094,1189 3.907,1190 8.513,1191 3.894,1192 3.865,1193 3.892,1194 3.848,1195 3.826,1196 7.999,1197 3.808,1198 3.723,1199 3.765,1200 3.7,1201 3.561,1202 7.999,1203 3.581,1204 3.254,1205 3.306,1206 3.349,1207 2.967,1208 5.075,1209 3.011,1210 2.926,1211 2.951,1212 3.197,1213 2.91,1214 4.737,1215 2.842,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.689,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.065,1227 2.715,1228 2.739,1229 2.802,1230 2.66,1231 2.521,1232 3.749,1233 2.556,1234 0.183,1235 0.185,1236 0.29,1237 0.17,1238 0.135,1239 4.568,1240 0.165,1241 4.636,1242 0.153,1243 7.251,1244 0.49,1245 4.246,1246 0.117,1247 3.386,1248 4.121,1249 3.825,1250 12.259,1251 2.935,1252 1.924,1253 1.897,1254 2.023,1255 2.028,1256 1.091,1257 2.024,1258 1.873,1259 1.85,1260 1.983,1261 1.939,1262 1.063,1263 1.964,1264 1.613,1265 1.577,1266 1.612,1267 1.818,1268 0.673,1269 1.775,1270 1.044,1271 1.007,1272 1.181,1273 1.372,1274 0.258,1275 1.266,1276 0.892,1277 0.868,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.886,1283 0.821,1284 1.143,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.048,1291 0.999,1292 0.17,1293 1.05,1294 0.646,1295 0.587,1296 0.78,1297 0.913,1299 0.914,1300 3.932,1302 5.252,1304 6.772,1306 8.376,1308 10.024,1312 39.388,1319 0.916,1322 -4.605,1326 24.035,1327 59.736,1328 93.272,1329 108.981,1330 132.2,1331 143.71,1332 145.71,1333 42.255,1334 6.775,1335 38.67,1336 63.97,1337 18,1338 12.278,1339 4.248,1340 3.322,1341 36.526,1342 69,1343 72,1344 0.252,1345 150.83,1346 261.54,1347 359.784,1348 6809,1349 9.1,1350 16.286,1351 0.708,1352 0.542,1353 14.14,1354 12.474,1355 11.038,1356 0.442,1357 0.298,1358 6.594,1359 10.102,1360 6.443,1361 5.322,1362 10.235,1363 7.457,1364 10.444,1365 0.298,1366 0.161,1367 9.117,1368 5.63,1369 7.813,1370 0.182,1371 0.091,1372 7.887,1373 3.899,1374 6.586,1375 0.12,1376 0.05,1377 6.471,1378 2.772,1379 5.168,1380 0.076,1381 0.028,1382 5.609,1383 1.874,1384 0.382,1385 73.876,1386 0.246,1387 22.268,1388 0.731,1389 120,1390 552.129,1391 168.747,1392 479.429,1393 628.09,1394 444,1395 138,1396 429.022,1397 177.559,1398 431.663,1399 649.42,1400 405,1401 5.374}
{0 CHEMBL1541441,1 1.655,2 8.088,3 5.079,4 25.797,5 126.566,6 8.777,7 0.474,8 4.114,9 4.2,10 3.825,11 3.716,12 5.333,13 3.714,14 4.651,15 4.771,16 4.252,17 4.146,18 5.822,19 4.133,20 4.922,21 5.061,22 4.468,23 4.384,24 6.054,25 4.365,26 5.131,27 5.255,28 4.656,29 4.538,30 6.39,31 4.54,32 5.277,33 5.413,34 4.793,35 4.677,36 6.68,37 4.674,38 5.432,39 5.599,40 4.777,41 4.731,42 6.777,43 4.701,44 5.413,45 5.59,46 4.566,47 4.586,48 6.738,49 4.521,50 5.157,51 5.371,52 4.153,53 4.287,54 6.363,55 4.136,56 0.099,57 0.726,58 7.64,59 4.685,60 10.951,61 5.231,62 0.498,63 1.223,64 16.902,65 8.028,66 46.516,67 8.959,68 0.487,69 1.633,70 24.601,71 10.563,72 52.653,73 12.138,74 0.821,75 1.975,76 29.113,77 12.33,78 93.096,79 13.209,80 0.934,81 2.299,82 31.603,83 14.633,84 127.26,85 16.897,86 0.806,87 2.612,88 41.476,89 18.104,90 104.171,91 20.996,92 1.208,93 2.357,94 48.031,95 18.718,96 171.028,97 19.745,98 0.917,99 1.794,100 43.908,101 15.72,102 135.571,103 18.307,104 50,105 57,106 0.269,107 0.568,108 0.681,109 0.787,110 0.805,111 0.823,112 3.563,113 0.867,114 -5.65,115 -5.52,116 -5.15,120 48.1,123 1,125 2,128 1,131 1,143 12,144 4,145 2,159 3,167 1,174 15,176 3,177 8,185 23,188 3,189 12,197 23,200 6,201 15,209 21,213 6,214 23,222 23,226 2,227 33,235 19,240 24,247 15,252 7,260 8,264 4,271 4,274 1986,275 23.418,276 23.418,277 23.418,278 23.418,279 23.418,280 20.913,281 24.954,282 13.43,283 24.032,284 18.527,285 18.527,286 18.527,287 18.527,288 18.527,289 14.628,290 31.492,291 5.997,292 19.283,293 4.1,294 2.26,295 1.565,296 0.917,297 0.806,298 0.695,299 4.265,303 1,306 1,307 1,308 592,309 4.123,312 134.538,313 225.887,316 195.652,320 1.045,321 44.692,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.84,332 73.833,333 275,334 5.082,335 4.38,336 8.625,337 4.95,338 3.972,339 4.504,340 2.472,341 18.126,342 3.885,343 4.337,344 3.961,345 6.915,346 4.074,347 3.093,348 3.746,349 2.443,350 11.458,351 3.031,352 4.036,353 3.788,354 6.471,355 3.693,356 2.727,357 3.487,358 1.268,359 9.628,360 2.626,361 3.788,362 3.643,363 6.297,364 3.499,365 2.52,366 3.298,367 1.193,368 9.045,369 2.455,370 3.736,371 3.035,372 5.951,373 3.289,374 2.358,375 2.976,376 0.392,377 7.614,378 2.278,379 3.697,380 2.872,381 5.552,382 3.278,383 2.278,384 2.892,385 0.286,386 6.749,387 2.182,388 3.479,389 2.458,390 5.165,391 3.027,392 2.074,393 2.588,394 0.14,395 6.012,396 1.929,397 3.353,398 2.361,399 4.891,400 2.77,401 1.846,402 2.364,404 5.231,405 1.641,406 2.972,407 2.324,408 4.502,409 2.503,410 1.504,411 2.183,413 3.458,414 1.502,415 2.803,416 1.585,417 4.373,418 2.317,419 1.317,420 1.908,422 3.144,423 1.317,424 2.781,425 1.505,426 4,427 2.158,428 1.209,429 1.556,431 3.058,432 1.134,433 2.5,434 1.461,435 3.689,436 2,437 1.033,438 1.5,440 2.751,441 1,442 2.5,443 1.46,444 3.543,445 2,446 1,447 1.5,449 2.449,450 1,451 2.374,452 1.38,453 3.481,454 1.994,455 1,456 1.244,458 2.275,459 0.978,460 2.29,461 1.168,462 3.414,463 1.481,464 0.569,465 0.866,467 1.009,468 0.511,469 16.248,470 0.478,471 0.845,472 0.025,473 46.5,474 1.368,475 24.5,476 0.721,477 22,478 0.647,479 31.483,480 0.926,481 34.752,482 0.644,483 44.176,484 1.299,485 9.382,486 0.276,487 7.117,488 0.209,489 0.171,490 0.031,491 0.357,496 0.66,497 1.114,498 0.568,499 0.949,500 0.506,501 0.842,502 0.804,503 1,504 0.673,505 0.766,506 0.525,507 0.771,508 0.833,509 1.054,510 0.836,511 0.891,512 0.796,513 0.852,514 1.099,515 1.047,516 0.833,517 0.888,518 1.288,519 0.865,520 0.717,521 1.081,522 0.601,523 0.95,524 0.695,525 0.893,526 0.97,527 1.097,528 0.761,529 1.081,530 0.927,531 1.041,532 1.607,533 1.009,534 1.108,535 1.022,536 1.702,537 1.12,538 1.28,539 1.038,540 1.382,541 1.175,542 1.426,543 1.306,544 6,545 0.025,546 4.889,547 5.042,548 4.077,549 2.974,550 1.457,551 0.864,552 0.588,553 0.162,554 11785,555 38613,556 2.084,557 37,559 19,563 1,567 1.779,568 1.915,569 2.872,570 -0.758,575 89.359,576 1.655,577 3.495,578 4.19,579 4.838,580 4.949,581 5.06,582 2.35,583 4.455,584 5.057,585 3.055,586 1713.62,587 8.98,588 23877,593 310.764,594 1.642,595 4.997,596 0.158,597 0.006,598 0.086,599 0.071,600 0.047,601 0.03,602 0.016,603 0.013,604 0.017,605 0.012,606 0.456,607 0.17,608 0.63,609 1.141,610 171.045,611 0.008,612 -0.061,613 0.037,614 -0.052,615 -0.002,616 -0.006,617 0.077,618 0.048,619 0.05,620 0.149,621 0.049,622 0.1,623 -0.029,624 0.015,625 -0.024,626 0.028,627 -0.069,628 0.037,629 -0.041,630 0.031,631 -0.094,632 0.005,633 -0.163,634 -0.023,635 0.194,636 -0.02,637 0.049,638 -0.054,639 0.251,640 -0.017,641 -0.032,642 -0.08,643 -0.017,644 -0.15,645 0.088,646 -0.104,647 -0.3,648 -0.073,649 -0.17,650 -0.039,651 -0.258,652 -0.149,653 -0.192,654 -0.135,655 -0.184,656 -0.13,657 -0.232,658 -0.239,659 2.586,660 6.504,661 0.676,662 27,663 1.016,664 1.111,665 4.42,666 19.534,667 0.714,668 3.664,669 4.06,670 4.511,671 4.977,672 5.384,673 5.638,674 5.864,675 6.019,676 6.064,677 6.068,678 5.18,679 0.694,680 473.94,681 3.664,682 5.252,683 6.184,684 7.152,685 8.13,686 9.122,687 10.116,688 11.117,689 12.119,690 13.123,691 5.6,694 1,697 1,700 1,709 12,714 6,716 18,737 1,738 54,739 21,740 3,741 38,743 58,744 26,745 18,746 6,747 12,752 5,753 8,754 1,763 1,764 2,766 1,767 1,768 20,769 5,770 2,772 2,778 2,782 2,789 20,790 7,792 8,793 1,797 3,801 1,803 0.4,804 4,822 2,823 3,826 2,841 2,855 2,859 2,860 1,862 34,872 2,874 2,875 2,876 1,877 1,882 1,884 1,885 1,886 7.4,889 2,891 2,893 17.75,894 10.576,895 7.667,896 3.072,898 3.207,899 1.38,900 0.971,901 5.573,902 11.648,903 3.951,904 4.527,905 5.152,906 5.795,907 6.441,908 6.814,909 7.308,910 7.762,911 8.082,912 8.365,913 1,914 71,915 12.69,917 5.768,918 7.937,919 23.496,921 19.983,924 2.437,925 82.861,929 235.422,930 185.036,931 37.063,932 39.149,933 72.29,936 185.036,937 346.86,938 37.063,939 21.766,941 113.715,942 80.845,943 78.062,945 235.422,946 39.149,947 235.422,948 222.099,949 72.29,950 39.149,952 235.422,953 72.29,956 34.061,957 188.038,958 39.149,960 235.422,961 109.353,962 224.185,965 235.422,966 33.382,967 141.485,968 16.173,969 142.498,970 235.422,971 109.353,972 224.185,973 0.58,974 0.378,975 0.24,976 0.161,977 30,978 14,979 0.086,980 5,981 2,982 1.217,983 3.872,984 383.795,985 0.174,986 24,987 152.974,993 22.43,994 8.448,995 3.019,997 109.353,998 22.291,1003 4.49,1006 568.96,1007 51,1013 26.643,1017 -1.34,1020 54.891,1021 60.013,1022 0.288,1023 0.607,1024 0.728,1025 0.841,1026 0.86,1027 0.879,1028 5.244,1029 1.846,1030 6.225,1031 6.012,1032 4.745,1033 5.215,1034 3.302,1035 7.249,1036 4.679,1037 6.477,1038 1.504,1039 7.912,1040 5.231,1041 4.575,1042 5.037,1043 2.942,1044 8.786,1045 4.473,1046 7.825,1047 1.317,1048 9.727,1049 3.458,1050 6.538,1051 7.378,1052 4.629,1053 12.082,1054 6.428,1055 9.215,1056 1.209,1057 11.626,1058 3.144,1059 7.28,1060 8.033,1061 4.997,1062 14.571,1063 7.144,1064 10.648,1065 1.033,1066 13.585,1067 3.058,1068 8.774,1069 9.864,1070 6.237,1071 17.534,1072 8.627,1073 12.113,1074 1,1075 15.589,1076 2.751,1077 9.905,1078 10.922,1079 6.896,1080 20.322,1081 9.736,1082 13.607,1083 1,1084 17.627,1085 2.449,1086 11.279,1087 12.552,1088 7.955,1089 23.225,1090 11.096,1091 3.972,1092 0.569,1093 19.692,1094 2.275,1095 12.561,1096 13.82,1097 8.742,1098 26.093,1099 12.356,1100 3.093,1101 18.126,1102 21.777,1103 1.009,1104 13.918,1105 15.366,1106 9.718,1107 28.989,1108 13.695,1109 2.727,1110 11.458,1111 23.879,1112 4.504,1113 15.256,1114 16.745,1115 10.563,1116 31.877,1117 15.011,1118 2.52,1119 9.628,1120 25.993,1121 3.746,1122 16.618,1123 18.257,1124 11.501,1125 34.773,1126 16.353,1127 2.358,1128 9.045,1129 28.116,1130 3.487,1131 17.978,1132 19.694,1133 12.373,1134 37.668,1135 17.691,1136 2.278,1137 7.614,1138 30.247,1139 3.298,1140 19.346,1141 21.195,1142 13.292,1143 40.565,1144 19.038,1145 2.074,1146 6.749,1147 32.383,1148 2.976,1149 20.716,1150 22.662,1151 14.178,1152 43.461,1153 20.385,1154 11476,1155 20853,1156 24.967,1157 38.546,1158 59.732,1159 63.104,1160 64.315,1161 57.997,1162 57.919,1163 74.269,1164 16.387,1165 185.378,1166 55.754,1167 6.035,1168 6.38,1169 8.307,1170 5.983,1171 5.972,1172 7.504,1173 4.214,1174 27.094,1175 5.885,1176 18.239,1177 1.572,1178 1.661,1179 1.692,1180 1.526,1181 1.524,1182 1.954,1183 0.431,1184 4.878,1185 1.467,1186 4.158,1187 4.181,1188 4.135,1189 4.101,1190 7.436,1191 4.103,1192 3.893,1193 3.919,1194 3.967,1195 3.831,1196 7.427,1197 3.826,1198 3.755,1199 3.777,1200 3.742,1201 3.631,1202 6.821,1203 3.621,1204 3.688,1205 3.723,1206 3.607,1207 3.599,1208 4.954,1209 3.621,1210 3.435,1211 3.447,1212 3.386,1213 3.12,1214 4.856,1215 3.171,1216 3.34,1217 3.387,1218 3.358,1219 3.052,1220 4.557,1221 3.092,1222 3.141,1223 3.205,1224 3.198,1225 2.947,1226 4.518,1227 2.972,1228 3.014,1229 3.075,1230 3.038,1231 2.853,1232 4.482,1233 2.844,1234 0.134,1235 0.115,1236 0.227,1237 0.13,1238 0.105,1239 5.082,1240 0.119,1241 4.38,1242 0.065,1243 8.625,1244 0.477,1245 4.95,1246 0.102,1247 3.972,1248 4.504,1249 2.472,1250 18.126,1251 3.885,1252 1.928,1253 1.908,1254 2.025,1255 2.003,1256 1.284,1257 2.004,1258 1.915,1259 1.892,1260 1.997,1261 1.984,1262 1.15,1263 1.999,1264 1.834,1265 1.813,1266 1.934,1267 1.925,1268 1.067,1269 1.927,1270 1.613,1271 1.591,1272 1.745,1273 1.815,1274 0.941,1275 1.794,1276 1.348,1277 1.312,1278 1.602,1279 1.645,1280 0.605,1281 1.617,1282 1.216,1283 1.157,1284 1.537,1285 1.52,1286 0.573,1287 1.504,1288 1.168,1289 1.09,1290 1.379,1291 1.438,1292 0.544,1293 1.456,1294 0.967,1295 0.924,1296 1.188,1297 1.137,1298 0.284,1299 1.128,1300 4.344,1302 5.72,1303 3.045,1304 7.332,1305 5.733,1306 9.061,1307 8.132,1308 10.862,1310 2.513,1311 6.16,1318 10.327,1320 -2.359,1321 2.923,1322 -1.247,1324 10.327,1325 2.132,1326 37.492,1327 89.359,1328 188.725,1329 226.235,1330 261.254,1331 267.254,1332 273.254,1333 77.804,1334 8.441,1335 82.87,1336 82.87,1337 28,1338 13.58,1339 4.459,1340 3.807,1341 48.948,1342 98,1343 137,1344 0.24,1345 229.849,1346 412.91,1347 552.591,1348 47599,1349 1.9,1350 24.035,1351 0.707,1352 0.564,1353 24.535,1354 19.191,1355 16.499,1356 0.434,1357 0.289,1358 10.467,1359 15.535,1360 10.176,1361 8.38,1362 16.787,1363 10.978,1364 14.602,1365 0.256,1366 0.149,1367 15.01,1368 8.496,1369 13.596,1370 0.151,1371 0.076,1372 13.885,1373 6.868,1374 12.385,1375 0.086,1376 0.038,1377 12.551,1378 5.531,1379 11.869,1380 0.055,1381 0.02,1382 12.083,1383 4.394,1384 0.345,1385 106.922,1386 0.2,1387 29.391,1388 0.785,1389 190,1390 592.081,1391 222.836,1392 596.476,1393 804.4,1394 556,1395 242,1396 568.562,1397 270.33,1398 584.897,1399 872.43,1400 549,1401 5.085}
{0 CHEMBL1542074,1 1.784,2 10.909,3 3.35,4 11.225,5 89.76,6 9.18,7 0.5,8 3.699,9 3.805,10 3.543,11 3.375,12 4.861,13 3.301,14 4.162,15 4.289,16 3.972,17 3.737,18 5.305,19 3.617,20 4.332,21 4.523,22 3.854,23 3.701,24 5.422,25 3.579,26 4.239,27 4.44,28 3.683,29 3.618,30 5.308,31 3.458,32 4.151,33 4.332,34 3.753,35 3.524,36 5.364,37 3.392,38 4.066,39 4.27,40 3.514,41 3.428,42 5.163,43 3.249,44 3.843,45 4.023,46 3.316,47 3.264,48 4.928,49 3.102,50 3.762,51 3.942,52 3.241,53 3.177,54 4.936,55 3.055,56 0.064,57 0.57,58 5.798,59 3.243,60 6.466,61 3.567,62 0.162,63 0.935,64 17.683,65 6.322,66 15.116,67 6.165,68 0.288,69 1.031,70 18.774,71 6.778,72 30.266,73 7.251,74 0.202,75 0.95,76 21.786,77 7.562,78 21.512,79 7.636,80 0.285,81 0.856,82 17.648,83 6.174,84 31.61,85 6.168,86 0.252,87 0.767,88 19.762,89 6.749,90 29.494,91 6.689,92 0.182,93 0.627,94 14.641,95 5.009,96 22.725,97 4.601,98 0.154,99 0.581,100 12.718,101 4.495,102 17.345,103 4.69,104 2,105 31,106 0.323,107 0.628,108 0.755,109 0.856,110 0.886,111 0.886,112 3.145,113 1.07,114 -2.77,115 -2.79,116 -2.7,120 41.7,126 1,129 1,143 8,145 1,146 1,147 1,159 1,160 1,170 1,174 6,177 4,180 1,182 3,185 6,189 3,192 1,194 5,197 3,200 1,201 3,206 2,209 1,213 1,214 5,217 1,219 2,222 4,227 2,230 1,231 1,235 3,240 2,247 4,251 1,252 3,255 1,257 3,260 2,264 2,269 3,271 1,274 642,275 15.206,276 15.206,277 15.206,278 15.206,279 15.206,280 13.29,281 13.234,282 9.431,283 15.761,284 11.904,285 11.904,286 11.904,287 11.904,288 11.904,289 9.149,290 15,291 4.561,292 12.865,293 3.386,294 1.702,295 1,296 0.444,297 0.278,298 0.278,299 3.831,305 1,306 1,307 1,308 519,309 2.828,312 65.271,313 159.812,320 1.736,321 16.644,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47,333 240,334 4.15,335 5.08,336 6.181,337 3.815,338 2.92,339 3.578,340 5.605,341 9.223,342 2.636,343 3.964,344 4.14,345 5.492,346 3.6,347 2.629,348 3.476,349 2.781,350 7.409,351 2.548,352 3.774,353 3.622,354 5.311,355 3.255,356 2.381,357 3.106,358 1.92,359 6.838,360 2.14,361 3.508,362 2.991,363 4.795,364 3.084,365 2.098,366 2.731,367 0.789,368 5.448,369 1.967,370 3.067,371 2.528,372 4.326,373 2.63,374 1.705,375 2.24,376 0.089,377 4.181,378 1.557,379 2.859,380 2.318,381 3.587,382 2.403,383 1.414,384 2,386 3.026,387 1.395,388 2.5,389 1.737,390 3.49,391 2.05,392 1.125,393 1.5,395 2.648,396 1.02,397 2.5,398 1.519,399 3.267,400 2,401 1,402 1.5,404 2.136,405 1,406 2.407,407 1.345,408 3.247,409 1.957,410 1,411 1.379,413 2.136,414 0.954,415 1.924,416 1.297,417 3.247,418 1.57,419 0.688,420 0.781,422 1.683,423 0.591,424 1.572,425 1,426 3.051,427 1.304,428 0.486,429 0.516,431 1.165,432 0.385,433 1.176,434 1,435 2.498,436 0.776,437 -0.205,438 -0.257,440 -0.491,441 -0.196,442 0.727,443 0.521,444 2.222,445 0.284,446 -0.653,447 -0.813,449 -1.511,450 -0.597,451 0.512,452 0.149,453 1.782,454 0.049,455 -0.915,456 -1.087,458 -2.235,459 -0.801,460 0.5,461 -0.156,462 1.555,464 -1,465 -1.423,467 -2.347,468 -0.972,469 11.1,470 0.505,471 0.362,472 0.016,473 29.25,474 1.33,475 15.5,476 0.705,477 13.75,478 0.625,479 16.293,480 0.741,481 22.5,482 0.625,483 17.12,484 0.778,485 5.489,486 0.249,487 5.321,488 0.242,489 0.03,491 0.225,496 0.727,497 0.968,498 0.706,499 0.754,500 0.58,501 0.775,502 0.726,503 1.359,504 1.027,505 1.208,506 0.674,507 1.084,508 1.167,509 1.058,510 0.922,511 0.991,512 1.291,513 1.003,514 1.042,515 1.092,516 1.323,517 1.217,518 0.823,519 1.046,520 1.237,521 1.02,522 1.075,523 1.093,524 1.429,525 0.973,526 1.174,527 0.895,528 1.353,529 1.149,530 1.412,531 0.959,532 1.639,533 0.978,534 1.49,535 1.15,536 1.67,537 1.01,538 0.775,539 1.092,540 1.236,541 1.206,542 0.668,543 1.029,544 3.5,545 0.058,546 1.556,547 0.847,548 0.797,549 0.348,550 0.273,551 0.149,552 0.1,553 0.105,554 5845,555 17391,556 2.125,557 38.9,559 10,560 1,561 1,562 2,567 1.637,568 2.063,569 3.436,570 0.393,571 1,572 1,574 1,575 64.211,576 1.784,577 3.468,578 4.17,579 4.725,580 4.892,581 4.892,582 2.88,583 4.005,584 4.433,585 3.578,586 826.632,587 7.574,588 9595.72,589 1,590 1,591 1,592 1,593 186.117,594 1.023,595 4.423,596 0.146,597 0.005,598 0.05,599 0.031,600 0.033,601 0.015,602 0.014,603 0.009,604 0.006,605 0.007,606 0.317,607 0.33,608 1,609 0.405,610 104.017,611 -0.008,612 0.09,613 0.052,614 0.101,615 -0.038,616 0.058,617 0.095,618 -0.285,619 0.034,620 -0.158,621 -0.016,622 -0.18,623 -0.064,624 -0.062,625 0.036,626 -0.04,627 -0.166,628 -0.065,629 -0.073,630 -0.062,631 -0.128,632 -0.095,633 0.044,634 -0.041,635 0.08,636 -0.001,637 0.06,638 -0.019,639 0.068,640 -0.014,641 0.034,642 0.101,643 -0.059,644 0.048,645 -0.029,646 0.084,647 -0.386,648 0.07,649 -0.239,650 0.016,651 -0.278,652 -0.029,653 0.187,654 -0.072,655 -0.147,656 -0.152,657 0.237,658 -0.058,659 1.708,660 4.892,661 0.773,662 19.653,663 1.008,664 1.114,665 1.543,666 2.381,667 0.738,668 3.219,669 3.466,670 3.664,671 3.871,672 3.989,673 3.892,674 3.951,675 3.989,676 3.951,677 3.97,678 6.431,679 0.689,680 330.47,681 3.219,682 4.71,683 5.517,684 6.351,685 7.174,686 8.012,687 8.842,688 9.682,689 10.516,690 11.357,691 11.1,693 1,698 1,700 1,701 1,709 9,710 1,714 2,716 12,738 36,739 14,740 1,741 24,743 38,744 15,745 11,746 1,747 5,752 3,753 3,768 13,769 2,772 2,778 1,781 1,782 2,785 1,786 1,789 14,790 5,791 2,792 7,793 2,797 4,803 1,804 1,816 1,822 1,823 2,838 1,855 3,856 2,857 2,862 22,869 1,871 2,873 2,874 1,886 2.8,889 1,893 10.667,894 6.233,895 4.944,896 1.925,898 2.265,899 1.341,900 0.98,901 5.245,902 8.902,903 3.497,904 3.989,905 4.413,906 4.873,907 5.294,908 5.121,909 5.355,910 5.567,911 5.662,912 5.758,913 1,914 27,915 8.093,917 3.363,918 7.735,919 15.42,921 12.321,924 2.235,925 49.167,929 141.253,930 160.414,931 69.348,933 25.145,935 64.439,936 95.975,937 166.398,938 69.348,940 18.91,941 93.698,942 58.406,943 31.224,944 11.771,945 182.15,947 141.253,948 165.323,949 25.145,950 64.439,952 141.253,953 25.145,956 65.266,957 83.271,958 16.786,959 64.439,960 141.253,961 94.492,962 160.414,965 141.253,966 75.557,967 84.857,968 35.899,969 58.593,970 141.253,971 94.492,972 160.414,973 0.561,974 0.313,975 0.17,976 0.09,977 14,978 5,979 0.132,980 5,982 1,983 3.67,984 158.806,986 17,987 94.107,989 2,993 15.254,994 7.564,995 4.422,997 94.492,998 16.967,999 4.301,1003 1.735,1005 35.899,1006 396.16,1007 32,1013 11.892,1016 4.245,1017 0.805,1020 36.305,1021 40.119,1022 0.345,1023 0.671,1024 0.807,1025 0.914,1026 0.946,1027 0.946,1028 4.682,1029 1,1030 5.442,1031 2.648,1032 4.143,1033 4.673,1034 4.392,1035 6.138,1036 3.999,1037 5.83,1038 1,1039 6.919,1040 2.136,1041 3.434,1042 4.06,1043 4.038,1044 6.763,1045 3.207,1046 7.081,1047 0.688,1048 8.492,1049 2.136,1050 5.617,1051 6.671,1052 7.457,1053 9.835,1054 5.324,1055 8.363,1056 0.486,1057 10.125,1058 1.683,1059 5.771,1060 6.832,1061 7.86,1062 11.348,1063 5.36,1064 9.672,1065 -0.205,1066 11.799,1067 1.165,1068 7.351,1069 8.902,1070 10.747,1071 13.87,1072 6.904,1073 11.001,1074 -0.653,1075 13.501,1076 -0.491,1077 7.928,1078 9.44,1079 11.542,1080 15.76,1081 7.35,1082 12.345,1083 -0.915,1084 15.224,1085 -1.511,1086 9.229,1087 11.244,1088 14.1,1089 18.085,1090 8.62,1091 2.92,1092 -1,1093 16.963,1094 -2.235,1095 10.029,1096 12.002,1097 15.137,1098 20.147,1099 9.287,1100 2.629,1101 9.223,1102 18.714,1103 -2.347,1104 11.196,1105 13.645,1106 17.481,1107 22.4,1108 10.413,1109 2.381,1110 7.409,1111 20.474,1112 3.578,1113 12.116,1114 14.547,1115 18.684,1116 24.542,1117 11.205,1118 2.098,1119 6.838,1120 22.243,1121 3.476,1122 13.219,1123 16.082,1124 20.876,1125 26.769,1126 12.254,1127 1.705,1128 5.448,1129 24.018,1130 3.106,1131 14.203,1132 17.084,1133 22.202,1134 28.95,1135 13.116,1136 1.414,1137 4.181,1138 25.799,1139 2.731,1140 15.278,1141 18.544,1142 24.282,1143 31.169,1144 14.123,1145 1.125,1146 3.026,1147 27.585,1148 2.24,1149 16.296,1150 19.618,1151 25.7,1152 33.369,1153 15.026,1154 5570,1155 9755,1156 16.583,1157 26.58,1158 35.118,1159 39.493,1160 35.156,1161 34.801,1162 34.893,1163 45.617,1164 22.369,1165 91.783,1166 32.387,1167 5.102,1168 7.08,1169 5.983,1170 5.006,1171 4.92,1172 6.578,1173 10.529,1174 15.49,1175 4.636,1176 5.688,1177 1.463,1178 1.646,1179 1.465,1180 1.45,1181 1.454,1182 1.901,1183 0.932,1184 3.824,1185 1.349,1186 3.925,1187 3.963,1188 4.156,1189 3.845,1190 7.429,1191 3.835,1192 3.885,1193 3.924,1194 3.842,1195 3.802,1196 4.913,1197 3.791,1198 3.611,1199 3.645,1200 3.772,1201 3.569,1202 4.768,1203 3.49,1204 3.454,1205 3.498,1206 3.533,1207 3.283,1208 4.673,1209 3.271,1210 2.956,1211 3.016,1212 3.117,1213 2.858,1214 3.954,1215 2.824,1216 2.854,1217 2.925,1218 2.712,1219 2.735,1220 3.836,1221 2.715,1222 2.828,1223 2.895,1224 2.687,1225 2.696,1226 3.689,1227 2.686,1228 2.748,1229 2.824,1230 2.634,1231 2.561,1232 3.674,1233 2.561,1234 0.173,1235 0.212,1236 0.258,1237 0.159,1238 0.122,1239 4.15,1240 0.149,1241 5.08,1242 0.234,1243 6.181,1244 0.384,1245 3.815,1246 0.11,1247 2.92,1248 3.578,1249 5.605,1250 9.223,1251 2.636,1252 1.889,1253 1.857,1254 2.012,1255 1.993,1256 1.067,1257 2,1258 1.836,1259 1.8,1260 1.947,1261 1.962,1262 1.032,1263 1.963,1264 1.474,1265 1.457,1266 1.574,1267 1.657,1268 0.841,1269 1.661,1270 1.218,1271 1.173,1272 1.383,1273 1.494,1274 0.626,1275 1.466,1276 1.096,1277 1.059,1278 1.181,1279 1.211,1280 0.241,1281 1.259,1282 0.886,1283 0.821,1284 1.156,1285 1.067,1286 0.218,1287 1.107,1288 0.854,1289 0.79,1290 1.091,1291 1.062,1292 0.116,1293 1.094,1294 0.781,1295 0.707,1296 0.945,1297 0.995,1298 0.072,1299 1.026,1300 3.892,1302 5.153,1303 2.398,1304 6.597,1305 4.595,1306 8.116,1307 6.581,1308 9.674,1315 0.331,1317 5.884,1319 2.992,1320 0.015,1326 24.809,1327 64.211,1328 124.833,1329 150.117,1330 170.117,1331 176.117,1332 176.117,1333 31.167,1334 6.637,1335 66.38,1336 116.98,1337 17,1338 11.923,1339 3.907,1340 3.17,1341 34.778,1342 86,1343 72,1344 0.196,1345 162.491,1346 277.87,1347 388.239,1348 6711,1350 15.2,1351 0.691,1352 0.601,1353 15.908,1354 13.233,1355 10.81,1356 0.45,1357 0.357,1358 6.781,1359 9.677,1360 6.477,1361 5.378,1362 11.672,1363 8.561,1364 9.26,1365 0.299,1366 0.219,1367 10.578,1368 6.778,1369 7.426,1370 0.195,1371 0.134,1372 9.029,1373 5.095,1374 6.039,1375 0.128,1376 0.078,1377 7.55,1378 3.689,1379 4.603,1380 0.087,1381 0.05,1382 6.13,1383 2.627,1384 0.317,1385 75.83,1386 0.246,1387 22.368,1388 0.511,1389 110,1390 337.412,1391 174.584,1392 370.728,1393 500.83,1394 348,1395 124,1396 331.981,1397 175.298,1398 362.465,1399 526.51,1400 340,1401 5.518}
{0 CHEMBL1542124,1 1.464,2 12.161,3 4.394,4 19.308,5 118.954,6 7.128,7 0.471,8 4.163,9 4.275,10 3.694,11 3.698,12 5.228,13 3.674,14 4.73,15 4.897,16 4.06,17 4.107,18 5.757,19 4.061,20 4.999,21 5.192,22 4.164,23 4.282,24 5.999,25 4.209,26 5.152,27 5.359,28 4.111,29 4.287,30 6.212,31 4.203,32 5.109,33 5.335,34 4.053,35 4.259,36 6.123,37 4.158,38 5.11,39 5.347,40 4.018,41 4.262,42 6.057,43 4.145,44 5.107,45 5.367,46 3.937,47 4.184,48 6.104,49 4.053,50 4.944,51 5.191,52 3.878,53 4.064,54 5.932,55 3.949,56 0.009,57 0.808,58 12.65,59 5.752,60 7.368,61 7.443,62 0.333,63 1.334,64 24.507,65 9.544,66 35.91,67 12.747,68 0.293,69 1.686,70 32.762,71 12.711,72 38.785,73 17.067,74 0.548,75 1.812,76 40.435,77 13.944,78 87.707,79 18.377,80 0.567,81 1.769,82 38.709,83 13.512,84 83.977,85 18.458,86 0.33,87 1.793,88 38.258,89 14.023,90 57.855,91 19.482,92 0.592,93 1.722,94 39.447,95 13.766,96 95.238,97 19.513,98 0.589,99 1.483,100 33.104,101 11.699,102 59.982,103 16.496,104 23,105 48,106 0.237,107 0.569,108 0.767,109 0.834,110 0.839,111 0.839,112 3.472,113 0.946,114 -4.19,115 -4.13,116 -3.91,120 42.4,121 1,122 3,124 1,125 1,126 3,143 9,144 2,145 1,153 2,159 2,174 13,176 2,177 7,182 3,185 15,189 11,192 2,194 2,197 12,201 9,206 1,209 8,213 2,214 11,219 2,222 9,227 12,232 1,235 4,239 2,240 6,245 1,247 8,251 2,252 4,255 2,257 1,260 10,263 1,264 5,269 2,271 7,274 1716,275 21.179,276 21.179,277 21.179,278 21.179,279 21.179,280 19.135,281 22.178,282 12.373,283 21.693,284 16.624,285 16.624,286 16.624,287 16.624,288 16.624,289 13.39,290 26.361,291 5.654,292 17.216,293 4.419,294 2.375,295 1.153,296 0.737,297 0.704,298 0.704,299 4.166,306 1,307 1,308 816,309 4,312 77.015,313 325.158,316 150.037,320 1.919,321 32.843,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 67,333 377,334 4.569,335 4.082,336 7.624,337 4.493,338 3.496,339 4.427,340 2.443,341 13.883,342 3.482,343 4.504,344 3.696,345 6.478,346 4.062,347 3.084,348 3.745,349 1.2,350 10.091,351 3.012,352 4.02,353 2.951,354 6.092,355 3.682,356 2.708,357 3.541,358 0.86,359 8.791,360 2.634,361 3.993,362 2.903,363 5.486,364 3.583,365 2.609,366 3.358,367 0.293,368 7.303,369 2.542,370 3.445,371 2.786,372 5.151,373 3.089,374 2.132,375 2.725,376 0.286,377 6.244,378 2.026,379 3.251,380 2.427,381 5.131,382 2.947,383 1.989,384 2.43,386 5.929,387 1.894,388 3.032,389 2.175,390 4.786,391 2.656,392 1.718,393 2.298,395 4.588,396 1.595,397 3.005,398 1.803,399 4.414,400 2.513,401 1.532,402 2.082,404 4.312,405 1.501,406 2.812,407 1.773,408 3.802,409 2.39,410 1.397,411 1.886,413 3.033,414 1.382,415 2.5,416 1.532,417 3.772,418 2,419 1,420 1.5,422 2.372,423 1,424 2.311,425 1.309,426 3.573,427 1.984,428 1,429 1.116,431 2.275,432 0.983,433 2.062,434 1.154,435 3.414,436 1.886,437 0.903,438 1,440 2.061,441 0.873,442 2,443 1.077,444 3.395,445 1.772,446 0.759,447 0.935,449 1.377,450 0.756,451 1.847,452 1,453 3.203,454 1.475,455 0.58,456 0.649,458 1.014,459 0.511,460 1.737,461 0.387,462 3,463 1.321,464 0.347,465 0.521,467 0.86,468 0.338,469 14.633,470 0.472,471 0.716,472 0.023,473 37.25,474 1.202,475 17.5,476 0.565,477 19.75,478 0.637,479 29.373,480 0.948,481 33.967,482 0.576,483 29.505,484 0.952,485 7.356,486 0.237,487 7.686,488 0.248,489 0.114,490 0.034,491 0.267,496 0.741,497 1.306,498 0.809,499 1.151,500 0.559,501 1.012,502 0.882,503 1.053,504 0.884,505 0.944,506 0.575,507 0.915,508 0.921,509 1.11,510 0.988,511 1.116,512 0.809,513 1.068,514 1.55,515 1.07,516 1.193,517 1.033,518 1.877,519 1.055,520 1.183,521 0.962,522 1.079,523 0.956,524 1.463,525 0.993,526 0.93,527 1.109,528 1.018,529 1.096,530 0.953,531 1.073,532 0.814,533 0.939,534 0.911,535 0.934,536 0.879,537 0.935,538 0.711,539 0.906,540 0.894,541 0.946,542 0.596,543 0.945,544 7,545 0.196,546 4.222,547 2.354,548 1.903,549 1.017,550 0.86,551 0.556,552 0.396,553 0.278,554 13045,555 33026,556 2.077,557 47.5,558 2,559 18,562 1,564 7,567 1.739,568 1.948,569 3.561,570 -0.393,572 1,575 86.374,576 1.464,577 3.508,578 4.729,579 5.145,580 5.179,581 5.179,582 3.116,583 4.438,584 4.921,585 3.732,586 1735.51,587 8.61,588 24736.3,590 1,592 1,593 347.076,594 1.501,595 4.881,596 0.206,597 0.007,598 0.088,599 0.046,600 0.041,601 0.023,602 0.02,603 0.015,604 0.011,605 0.009,606 0.466,607 0.33,608 1,609 1.116,610 161.178,611 -0.015,612 -0.127,613 0.059,614 -0.055,615 -0.018,616 0.003,617 0.063,618 0.051,619 0.054,620 0.081,621 0.069,622 0.067,623 -0.006,624 -0.054,625 -0.04,626 -0.104,627 0.013,628 -0.082,629 -0.223,630 -0.09,631 -0.173,632 -0.063,633 -0.239,634 -0.105,635 -0.085,636 0.032,637 -0.081,638 0.012,639 -0.121,640 -0.028,641 -0.053,642 -0.124,643 -0.048,644 -0.112,645 -0.012,646 -0.083,647 0.108,648 0.006,649 0.085,650 0.029,651 0.14,652 0.051,653 0.225,654 0.067,655 0.096,656 0.021,657 0.151,658 0.037,659 1.873,660 6.069,661 0.677,662 33.251,663 1,664 1.123,665 2.961,666 8.767,667 0.656,668 3.555,669 3.892,670 4.19,671 4.419,672 4.654,673 4.745,674 4.883,675 4.984,676 4.99,677 5.106,678 7.14,679 0.623,680 420.55,681 3.555,682 5.106,683 5.969,684 6.855,685 7.738,686 8.632,687 9.523,688 10.42,689 11.315,690 12.214,691 3.4,698 1,699 1,708 2,709 9,711 1,714 3,716 16,724 1,735 1,738 59,739 18,740 2,741 34,743 62,744 25,745 14,746 4,747 8,748 1,752 4,753 5,759 1,760 1,762 1,763 2,766 3,768 16,769 9,772 2,778 2,782 2,786 1,789 28,790 5,791 1,792 6,797 2,803 0.75,804 4,818 1,822 1,823 3,826 1,841 1,855 3,859 2,862 31,869 6,872 2,875 1,876 1,886 6.8,889 2,891 2,893 15.917,894 11.117,895 6.958,896 3.701,898 2.777,899 1.359,900 0.964,901 6.446,902 10.506,903 3.807,904 4.379,905 4.95,906 5.469,907 5.964,908 6.207,909 6.505,910 6.827,911 6.755,912 6.941,913 1,914 51,915 11.562,917 4.969,918 7.739,919 22.158,921 18.419,924 2.239,925 69.417,927 1,928 1,929 317.82,930 149.201,931 19.91,933 72.29,936 149.201,937 390.109,938 19.91,939 19.708,940 19.532,941 85.286,942 62.186,943 49.787,944 4.901,945 317.82,947 317.82,948 169.111,949 72.29,952 235.422,953 154.687,956 45.142,957 123.968,960 317.82,961 92.199,962 149.201,965 317.82,966 44.206,967 108.119,968 16.786,969 72.29,970 317.82,971 92.199,972 149.201,973 0.578,974 0.352,975 0.184,976 0.101,977 23,978 10,979 0.113,980 7,981 1,982 1.095,983 4.187,984 281.689,985 0.095,986 21,987 145.58,993 21.603,994 9.25,995 4.531,996 1.964,997 75.414,998 17.527,1000 3.212,1003 2.428,1005 16.786,1006 559.22,1007 44,1013 26.024,1017 -0.207,1020 59,1021 66.232,1022 0.249,1023 0.596,1024 0.804,1025 0.875,1026 0.88,1027 0.88,1028 5.056,1029 1.532,1030 5.979,1031 4.588,1032 4.575,1033 5.066,1034 2.734,1035 6.847,1036 4.521,1037 6.263,1038 1.397,1039 7.582,1040 4.312,1041 4.29,1042 4.913,1043 2.283,1044 8.127,1045 4.237,1046 7.587,1047 1,1048 9.302,1049 3.033,1050 6.263,1051 7.252,1052 3.936,1053 11.19,1054 6.177,1055 8.95,1056 1,1057 11.097,1058 2.372,1059 6.847,1060 7.934,1061 4.282,1062 13.366,1063 6.77,1064 10.348,1065 0.903,1066 12.945,1067 2.275,1068 8.305,1069 9.759,1070 5.509,1071 16.06,1072 8.208,1073 11.769,1074 0.759,1075 14.833,1076 2.061,1077 9.258,1078 10.824,1079 6.162,1080 18.541,1081 9.168,1082 13.209,1083 0.58,1084 16.749,1085 1.377,1086 10.544,1087 12.444,1088 7.213,1089 21.166,1090 10.444,1091 3.496,1092 0.347,1093 18.689,1094 1.014,1095 11.654,1096 13.704,1097 7.993,1098 23.744,1099 11.557,1100 3.084,1101 13.883,1102 20.646,1103 0.86,1104 12.889,1105 15.235,1106 8.964,1107 26.363,1108 12.787,1109 2.708,1110 10.091,1111 22.617,1112 4.427,1113 14.066,1114 16.597,1115 9.802,1116 28.973,1117 13.965,1118 2.609,1119 8.791,1120 24.6,1121 3.745,1122 15.29,1123 18.091,1124 10.734,1125 31.595,1126 15.187,1127 2.132,1128 7.303,1129 26.592,1130 3.541,1131 16.497,1132 19.507,1133 11.6,1134 34.217,1135 16.394,1136 1.989,1137 6.244,1138 28.591,1139 3.358,1140 17.723,1141 20.988,1142 12.512,1143 36.843,1144 17.619,1145 1.718,1146 5.929,1147 30.596,1148 2.725,1149 18.946,1150 22.434,1151 13.391,1152 39.47,1153 18.841,1154 12457,1155 19922,1156 22.652,1157 38.728,1158 51.353,1159 52.675,1160 53.938,1161 50.573,1162 50.587,1163 64.518,1164 10.163,1165 148.442,1166 49.131,1167 5.569,1168 6.082,1169 7.391,1170 5.531,1171 5.496,1172 7.427,1173 4.174,1174 21.142,1175 5.482,1176 14.771,1177 1.51,1178 1.549,1179 1.586,1180 1.487,1181 1.488,1182 1.898,1183 0.299,1184 4.366,1185 1.445,1186 4.133,1187 4.166,1188 4.091,1189 4.04,1190 7.433,1191 4.047,1192 3.983,1193 4.013,1194 3.913,1195 3.902,1196 7.427,1197 3.9,1198 3.821,1199 3.856,1200 3.745,1201 3.7,1202 4.955,1203 3.704,1204 3.564,1205 3.602,1206 3.493,1207 3.377,1208 4.863,1209 3.395,1210 3.457,1211 3.511,1212 3.312,1213 3.271,1214 4.482,1215 3.267,1216 3.309,1217 3.368,1218 3.168,1219 3.107,1220 4.376,1221 3.114,1222 3.198,1223 3.26,1224 3.041,1225 2.941,1226 4.28,1227 2.954,1228 3.111,1229 3.206,1230 2.866,1231 2.938,1232 4.186,1233 2.91,1234 0.134,1235 0.12,1236 0.224,1237 0.132,1238 0.103,1239 4.569,1240 0.13,1241 4.082,1242 0.072,1243 7.624,1244 0.408,1245 4.493,1246 0.102,1247 3.496,1248 4.427,1249 2.443,1250 13.883,1251 3.482,1252 1.959,1253 1.931,1254 2.095,1255 2.081,1256 1.463,1257 2.086,1258 1.927,1259 1.902,1260 2.027,1261 2.01,1262 1.134,1263 2.017,1264 1.806,1265 1.77,1266 1.954,1267 1.951,1268 1.111,1269 1.952,1270 1.569,1271 1.537,1272 1.801,1273 1.783,1274 0.938,1275 1.773,1276 1.469,1277 1.401,1278 1.659,1279 1.703,1280 0.825,1281 1.709,1282 1.262,1283 1.202,1284 1.579,1285 1.536,1286 0.785,1287 1.55,1288 1.153,1289 1.07,1290 1.513,1291 1.414,1292 0.666,1293 1.429,1294 1.141,1295 1.064,1296 1.435,1297 1.376,1298 0.562,1299 1.418,1300 4.234,1302 5.565,1303 2.398,1304 7.102,1305 4.727,1306 8.729,1307 6.843,1308 10.401,1310 3.461,1315 3.116,1318 10.685,1321 1.83,1322 -0.623,1326 36.75,1327 86.374,1328 206.959,1329 279.037,1330 303.566,1331 305.566,1332 305.566,1333 65.885,1334 7.729,1335 71.63,1336 71.63,1337 23,1338 12.737,1339 4.248,1340 3.459,1341 49.375,1342 130,1343 147,1344 0.182,1345 224.232,1346 392.32,1347 538.887,1348 24064,1350 21.847,1351 0.705,1352 0.581,1353 21.847,1354 18.019,1355 15.042,1356 0.442,1357 0.315,1358 10.568,1359 14.45,1360 10.28,1361 8.503,1362 15.042,1363 10.717,1364 13.284,1365 0.277,1366 0.169,1367 13.284,1368 8.088,1369 11.797,1370 0.181,1371 0.095,1372 11.797,1373 6.178,1374 9.39,1375 0.115,1376 0.053,1377 9.39,1378 4.368,1379 7.552,1380 0.073,1381 0.031,1382 7.552,1383 3.181,1384 0.286,1385 94.413,1386 0.21,1387 29.171,1388 0.499,1389 164,1390 472.92,1391 179.429,1392 447.518,1393 607.85,1394 420,1395 195,1396 439.343,1397 210.877,1398 444.4,1399 651.2,1400 417,1401 4.519}
{0 CHEMBL1542492,1 1.702,2 10.087,3 2.72,4 7.399,5 82.832,6 8.648,7 0.458,8 3.691,9 3.783,10 3.363,11 3.228,12 5.049,13 3.243,14 4.143,15 4.263,16 3.683,17 3.557,18 5.585,19 3.559,20 4.376,21 4.547,22 3.69,23 3.621,24 5.741,25 3.602,26 4.398,27 4.583,28 3.642,29 3.591,30 5.834,31 3.567,32 4.356,33 4.554,34 3.568,35 3.531,36 5.759,37 3.496,38 4.25,39 4.439,40 3.483,41 3.422,42 5.663,43 3.409,44 4.102,45 4.284,46 3.41,47 3.282,48 5.6,49 3.286,50 4.001,51 4.149,52 3.372,53 3.169,54 5.897,55 3.178,56 0.173,57 0.508,58 5.157,59 2.982,60 12.444,61 3.277,62 0.344,63 0.75,64 9.577,65 4.901,66 52.942,67 5.626,68 0.557,69 0.902,70 15.093,71 5.955,72 61.961,73 7.126,74 0.472,75 0.913,76 15.843,77 6.131,78 89.42,79 7.362,80 0.582,81 0.849,82 16.517,83 5.945,84 84.649,85 7.438,86 0.427,87 0.782,88 14.238,89 5.081,90 78.338,91 6.033,92 0.411,93 0.678,94 12.044,95 4.303,96 68.652,97 4.992,98 0.582,99 0.586,100 10.397,101 3.69,102 120.962,103 4.229,104 30,105 32,106 0.304,107 0.657,108 0.759,109 0.836,110 0.85,111 0.85,112 3.187,113 0.841,114 -2.92,115 -2.92,116 -2.82,120 44.4,121 1,128 1,136 1,137 1,143 7,144 1,153 1,154 1,159 2,167 2,174 8,176 2,177 6,180 1,182 3,185 8,188 2,189 6,194 3,197 7,200 1,201 5,204 1,206 2,209 5,213 2,214 7,217 1,219 2,222 5,227 8,232 1,235 4,239 2,240 5,243 1,247 5,251 4,252 4,255 2,260 5,264 5,271 4,274 776,275 15.215,276 15.215,277 15.215,278 15.215,279 15.215,280 13.199,281 15.958,282 9.045,283 15.319,284 11.75,285 11.75,286 11.75,287 11.75,288 11.75,289 8.619,290 18.751,291 4.191,292 11.891,293 3.468,294 1.49,295 0.921,296 0.486,297 0.41,298 0.41,299 3.844,305 1,306 1,307 1,308 476,309 4.062,312 76.115,313 90.811,320 1.577,321 33.872,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 51.5,333 232,334 4.353,335 4.099,336 6.149,337 3.921,338 2.93,339 4.045,340 2.612,341 9.023,342 2.903,343 4.195,344 3.781,345 6.009,346 3.803,347 2.823,348 3.621,349 2.035,350 8.585,351 2.767,352 4.023,353 3.513,354 5.904,355 3.632,356 2.634,357 3.514,358 1.081,359 8.148,360 2.622,361 3.646,362 3.012,363 5.17,364 3.143,365 2.153,366 3.043,367 0.473,368 6.238,369 2.125,370 3.346,371 2.593,372 4.408,373 2.775,374 1.792,375 2.356,377 4.364,378 1.761,379 3.077,380 1.988,381 3.89,382 2.366,383 1.364,384 2.009,386 3.178,387 1.359,388 2.844,389 1.852,390 3.637,391 2.093,392 1.099,393 1.702,395 2.618,396 1.092,397 2.5,398 1.516,399 3.364,400 2,401 1,402 1.5,404 2.136,405 1,406 2.475,407 1.187,408 3.253,409 1.922,410 0.92,411 1.239,413 2.107,414 0.917,415 2.264,416 1,417 3.247,418 1.66,419 0.661,420 1.006,422 1.606,423 0.66,424 2.162,425 1,426 2.734,427 1.21,428 0.253,429 0.506,431 0.404,432 0.241,433 1,434 0.719,435 2.489,436 0.52,437 -0.474,438 -0.55,440 -1.18,441 -0.466,442 0.843,443 0.274,444 1.869,445 0.321,446 -0.696,447 -0.964,449 -1.617,450 -0.703,451 0.744,452 -0.135,453 1.774,454 0.237,455 -0.767,456 -1.002,458 -1.649,459 -0.77,460 0.58,461 -0.615,462 1.555,464 -1,465 -1.5,467 -2,468 -1,469 10.533,470 0.458,471 0.579,472 0.025,473 33.25,474 1.446,475 19,476 0.826,477 14.25,478 0.62,479 14.004,480 0.609,481 24.267,482 0.674,483 24.986,484 1.086,485 6.818,486 0.296,487 4.19,488 0.182,489 0.18,491 0.323,496 0.517,497 1.06,498 0.645,499 0.969,500 0.509,501 0.874,502 0.543,503 1.12,504 0.735,505 1.124,506 0.431,507 1.023,508 0.774,509 1.106,510 0.934,511 1.047,512 0.603,513 1.036,514 0.897,515 1.066,516 0.992,517 1.12,518 0.918,519 1.091,520 0.789,521 0.904,522 0.916,523 0.919,524 0.923,525 0.949,526 1.075,527 1.13,528 1.005,529 1.014,530 1.243,531 0.99,532 1.032,533 0.839,534 0.957,535 0.917,536 1.268,537 0.91,538 0.823,539 0.891,540 1.013,541 0.93,542 0.675,543 1.014,544 5,545 0.081,546 2.667,547 1.535,548 1.161,549 0.677,550 0.494,551 0.344,552 0.146,553 0.109,554 5427,555 20341,556 1.946,557 36.1,559 9,562 1,564 3,567 1.657,568 1.792,569 3.328,570 -0.241,571 1,572 1,574 1,575 61.257,576 1.702,577 3.68,578 4.249,579 4.684,580 4.76,581 4.76,582 2.773,583 4.176,584 4.496,585 3.48,586 880.506,587 7.738,588 10299.1,589 1,590 1,591 1,592 1,593 186.117,594 1.51,595 4.433,596 0.208,597 0.007,598 0.083,599 0.05,600 0.04,601 0.025,602 0.02,603 0.015,604 0.007,605 0.008,606 0.463,607 0.33,608 1,609 0.982,610 108.837,611 0.128,612 0.063,613 0.036,614 0.031,615 -0.004,616 0.005,617 0.212,618 -0.087,619 0.058,620 -0.115,621 0.175,622 -0.087,623 0.088,624 -0.126,625 0.005,626 -0.062,627 0.081,628 -0.052,629 -0.038,630 -0.093,631 -0.024,632 -0.143,633 0.005,634 -0.094,635 0.101,636 0.039,637 0.102,638 0.069,639 -0.005,640 0.082,641 -0.163,642 -0.163,643 -0.012,644 -0.047,645 -0.188,646 0.004,647 -0.056,648 0.161,649 0.029,650 0.031,651 -0.155,652 0.05,653 0.353,654 0.106,655 -0.04,656 0.007,657 0.532,658 -0.112,659 2.694,660 5.126,661 0.478,662 18.968,663 1.029,664 1.122,665 1.685,666 2.841,667 0.685,668 3.219,669 3.497,670 3.689,671 3.829,672 3.892,673 3.829,674 3.829,675 3.807,676 3.638,677 3.555,678 6.063,679 0.682,680 311.32,681 3.219,682 4.727,683 5.541,684 6.385,685 7.217,686 8.062,687 8.901,688 9.746,689 10.588,690 11.433,691 8.3,698 1,700 1,702 1,709 7,712 1,714 3,716 11,731 1,738 36,739 16,740 1,741 24,743 37,744 16,745 10,746 1,747 5,748 3,752 2,753 2,759 1,766 1,767 1,768 13,769 2,772 4,775 1,778 3,780 1,782 2,785 1,786 1,788 1,789 13,790 6,791 1,792 7,797 3,803 1,804 4,822 1,823 1,833 1,838 1,845 1,846 1,855 2,859 1,862 23,871 1,874 1,877 1,882 1,884 1,886 11.1,889 1,891 1,892 2,893 12.833,894 6.817,895 5.25,896 2.035,898 2.491,899 1.396,900 0.925,901 5.295,902 8.781,903 3.597,904 4.123,905 4.631,906 5.076,907 5.422,908 5.601,909 5.818,910 6.147,911 6.011,912 5.856,913 0.857,914 31,915 8.445,917 3.558,918 8.333,919 15.152,921 11.658,924 2.833,925 65.167,929 141.253,930 122.782,931 54.74,933 85.399,936 122.782,937 226.652,938 54.74,939 14.495,940 18.011,941 75.81,942 46.451,943 51.958,944 5.449,945 141.253,946 50.747,947 141.253,948 177.522,949 85.399,952 105.94,953 69.966,954 50.747,956 62.915,957 99.46,958 15.146,960 141.253,961 140.139,962 122.782,965 141.253,966 21.545,967 90.305,968 34.612,969 116.459,970 141.253,971 140.139,972 122.782,973 0.573,974 0.334,975 0.166,976 0.082,977 13,978 7,979 0.135,980 5,982 1,983 3.488,984 167.429,986 11,987 98.042,993 16.474,994 7.392,995 4.287,997 134.469,998 11.756,1001 4.911,1003 0.508,1005 18.011,1006 404.174,1007 35.5,1010 -0.694,1013 33.231,1015 1.167,1017 -0.778,1020 37.033,1021 40.409,1022 0.329,1023 0.712,1024 0.822,1025 0.906,1026 0.921,1027 0.921,1028 4.81,1029 1,1030 5.517,1031 2.618,1032 4.174,1033 4.808,1034 3.147,1035 6.271,1036 4.152,1037 6.026,1038 0.92,1039 7.054,1040 2.136,1041 3.761,1042 4.559,1043 2.361,1044 7.086,1045 3.73,1046 7.324,1047 0.661,1048 8.688,1049 2.107,1050 5.72,1051 6.952,1052 4.613,1053 10.107,1054 5.673,1055 8.656,1056 0.253,1057 10.378,1058 1.606,1059 6.111,1060 7.531,1061 4.506,1062 11.7,1063 6.054,1064 10.014,1065 -0.474,1066 12.102,1067 0.404,1068 7.541,1069 9.359,1070 6.269,1071 14.214,1072 7.469,1073 11.392,1074 -0.696,1075 13.848,1076 -1.18,1077 8.281,1078 10.313,1079 6.556,1080 16.117,1081 8.199,1082 12.785,1083 -0.767,1084 15.608,1085 -1.617,1086 9.496,1087 11.903,1088 8.012,1089 18.439,1090 9.401,1091 2.93,1092 -1,1093 17.377,1094 -1.649,1095 10.398,1096 13.047,1097 8.548,1098 20.48,1099 10.292,1100 2.823,1101 9.023,1102 19.154,1103 -2,1104 11.52,1105 14.526,1106 9.813,1107 22.72,1108 11.402,1109 2.634,1110 8.585,1111 20.936,1112 4.045,1113 12.5,1114 15.77,1115 10.509,1116 24.827,1117 12.369,1118 2.153,1119 8.148,1120 22.721,1121 3.621,1122 13.582,1123 17.195,1124 11.655,1125 27.032,1126 13.439,1127 1.792,1128 6.238,1129 24.509,1130 3.514,1131 14.598,1132 18.496,1133 12.452,1134 29.172,1135 14.444,1136 1.364,1137 4.364,1138 26.3,1139 3.043,1140 15.663,1141 19.897,1142 13.525,1143 31.361,1144 15.497,1145 1.099,1146 3.178,1147 28.092,1148 2.356,1149 16.699,1150 21.231,1151 14.386,1152 33.518,1153 16.521,1154 5510,1155 10870,1156 15.315,1157 24.642,1158 37.232,1159 39.489,1160 36.861,1161 35.237,1162 35.257,1163 49.081,1164 12.402,1165 96.813,1166 34.895,1167 5.227,1168 6.099,1169 5.951,1170 4.934,1171 4.93,1172 7.045,1173 4.647,1174 15.491,1175 4.903,1176 13.372,1177 1.551,1178 1.645,1179 1.536,1180 1.468,1181 1.469,1182 2.045,1183 0.517,1184 4.034,1185 1.454,1186 4.016,1187 4.027,1188 3.99,1189 3.879,1190 7.815,1191 3.883,1192 3.925,1193 3.955,1194 3.858,1195 3.804,1196 7.43,1197 3.825,1198 3.685,1199 3.711,1200 3.66,1201 3.491,1202 6.999,1203 3.526,1204 3.447,1205 3.501,1206 3.378,1207 3.252,1208 6.818,1209 3.249,1210 3.325,1211 3.356,1212 3.239,1213 2.9,1214 5.015,1215 3.016,1216 2.971,1217 3.031,1218 2.904,1219 2.735,1220 4.758,1221 2.72,1222 2.854,1223 2.925,1224 2.687,1225 2.66,1226 4.18,1227 2.715,1228 2.747,1229 2.825,1230 2.566,1231 2.602,1232 3.926,1233 2.576,1234 0.181,1235 0.171,1236 0.256,1237 0.163,1238 0.122,1239 4.353,1240 0.169,1241 4.099,1242 0.109,1243 6.149,1244 0.376,1245 3.921,1246 0.121,1247 2.93,1248 4.045,1249 2.612,1250 9.023,1251 2.903,1252 1.925,1253 1.895,1254 2.054,1255 2.022,1256 1.195,1257 2.033,1258 1.709,1259 1.692,1260 1.797,1261 1.958,1262 0.86,1263 1.836,1264 1.548,1265 1.525,1266 1.709,1267 1.838,1268 0.806,1269 1.816,1270 1.442,1271 1.382,1272 1.613,1273 1.644,1274 0.59,1275 1.664,1276 1.217,1277 1.193,1278 1.312,1279 1.438,1280 0.253,1281 1.426,1282 0.886,1283 0.821,1284 1.181,1285 1.196,1286 0.218,1287 1.161,1288 0.838,1289 0.768,1290 1.137,1291 1.134,1292 0.121,1293 1.107,1294 0.756,1295 0.7,1296 0.969,1297 1.062,1299 1.048,1300 3.892,1302 5.176,1303 2.398,1304 6.637,1305 4.595,1306 8.171,1307 6.581,1308 9.741,1310 1.792,1317 2.692,1320 -0.286,1324 9.103,1325 1.765,1326 24.557,1327 61.257,1328 132.466,1329 152.956,1330 168.608,1331 171.362,1332 171.362,1333 58.95,1334 6.29,1335 111.85,1336 111.85,1337 11,1338 11.995,1339 4.087,1340 3.644,1341 45.331,1342 82,1343 75,1344 0.265,1345 156.555,1346 280.6,1347 373.754,1348 3789,1350 16.82,1351 0.731,1352 0.531,1353 16.82,1354 12.224,1355 11.007,1356 0.459,1357 0.28,1358 6.617,1359 10.466,1360 6.472,1361 5.413,1362 11.007,1363 6.728,1364 9.676,1365 0.302,1366 0.147,1367 9.676,1368 4.709,1369 7.688,1370 0.197,1371 0.079,1372 7.688,1373 3.091,1374 5.837,1375 0.13,1376 0.042,1377 5.837,1378 1.908,1379 4.055,1380 0.084,1381 0.023,1382 4.055,1383 1.094,1384 0.418,1385 70.098,1386 0.256,1387 22.818,1388 0.721,1389 112,1390 444.565,1391 127.457,1392 424.538,1393 550.88,1394 388,1395 127,1396 393.654,1397 142.016,1398 390.175,1399 555.83,1400 364,1401 5.215}
{0 CHEMBL1542693,1 1.681,2 9.367,3 1.526,4 2.327,5 113.751,6 8.49,7 0.364,8 4.021,9 4.105,10 3.828,11 3.657,12 5.158,13 3.617,14 4.58,15 4.704,16 4.138,17 4.06,18 5.878,19 4.017,20 4.894,21 5.059,22 4.219,23 4.168,24 6.157,25 4.131,26 4.917,27 5.093,28 4.232,29 4.13,30 6.248,31 4.1,32 4.926,33 5.09,34 4.259,35 4.15,36 6.373,37 4.119,38 4.936,39 5.094,40 4.284,41 4.174,42 6.317,43 4.141,44 4.932,45 5.079,46 4.294,47 4.205,48 6.406,49 4.154,50 4.91,51 5.079,52 4.139,53 4.155,54 6.32,55 4.064,56 0.109,57 0.707,58 10.387,59 5.155,60 22.867,61 5.43,62 0.352,63 1.197,64 20.752,65 8.911,66 66.942,67 9.82,68 0.624,69 1.547,70 29.587,71 11.182,72 100.118,73 12.807,74 0.755,75 1.539,76 28.805,77 10.879,78 102.394,79 12.588,80 0.851,81 1.555,82 31.881,83 11.451,84 160.674,85 12.424,86 0.843,87 1.551,88 30.771,89 11.186,90 165.718,91 11.826,92 0.885,93 1.524,94 30.399,95 11.953,96 166.107,97 12.741,98 0.796,99 1.46,100 31.236,101 12.531,102 161.484,103 13.856,104 37,105 49,106 0.279,107 0.579,108 0.702,109 0.777,110 0.828,111 0.848,112 3.442,113 1.03,114 -3.12,115 -3.11,116 -2.99,120 44,122 1,125 1,126 2,128 1,139 2,143 9,144 3,158 2,159 1,174 12,176 1,177 4,180 1,182 1,185 12,188 1,189 9,192 2,194 3,197 6,200 3,201 8,204 1,206 4,213 3,214 9,219 4,222 2,226 1,227 9,232 1,235 6,239 2,240 11,243 2,247 11,251 2,252 9,260 13,263 2,264 7,271 10,274 1514,275 19.759,276 19.759,277 19.759,278 19.759,279 19.759,280 17.484,281 16.013,282 11.326,283 20.101,284 16.23,285 16.23,286 16.23,287 16.23,288 16.23,289 12.523,290 19.968,291 5.342,292 16.747,293 3.963,294 2.156,295 1.418,296 0.967,297 0.655,298 0.535,299 4.128,306 1,307 1,308 604,309 3.742,312 71.191,313 248.852,317 136.544,320 1.324,321 56.552,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66,333 281,334 4.73,335 5.139,336 7.105,337 4.371,338 3.387,339 4.486,340 2.95,341 12.244,342 3.359,343 4.675,344 3.844,345 6.778,346 4.126,347 3.242,348 4.277,349 1.058,350 11.153,351 2.837,352 4.154,353 3.552,354 6.356,355 3.8,356 2.795,357 3.684,358 0.8,359 9.512,360 2.804,361 4.017,362 3.391,363 6.081,364 3.673,365 2.72,366 3.47,368 8.713,369 2.562,370 3.72,371 3.006,372 5.882,373 3.398,374 2.377,375 2.951,377 7.858,378 2.425,379 3.412,380 2.445,381 5.615,382 3.143,383 2.153,384 2.537,386 7.049,387 2.107,388 3.246,389 2.311,390 4.484,391 2.779,392 1.768,393 2.464,395 4.269,396 1.78,397 2.951,398 2.19,399 4.222,400 2.476,401 1.473,402 2.107,404 3.451,405 1.475,406 2.608,407 2.037,408 3.935,409 2.234,410 1.258,411 1.62,413 3.158,414 1.225,415 2.537,416 1.437,417 3.728,418 2.04,419 1.026,420 1.5,422 2.482,423 1.034,424 2.5,425 1.35,426 3.684,427 2,428 1,429 1.489,431 2.368,432 1,433 2.351,434 1.323,435 3.502,436 1.964,437 0.96,438 1.184,440 2.136,441 0.957,442 2.133,443 1.261,444 3.379,445 1.637,446 0.66,447 0.829,449 1.729,450 0.621,451 1.681,452 1,453 3.247,454 1.544,455 0.511,456 0.644,458 1.286,459 0.527,460 1.233,461 0.633,462 2.982,463 0.896,464 -0.093,465 -0.113,467 -0.249,468 -0.091,469 14.3,470 0.477,471 0.976,472 0.033,473 40,474 1.333,475 21,476 0.7,477 19,478 0.633,479 25.133,480 0.838,481 31.9,482 0.638,483 35.234,484 1.174,485 7.769,486 0.259,487 6.514,488 0.217,489 0.152,490 0.058,491 0.343,496 0.501,497 1.189,498 0.778,499 1.116,500 0.555,501 0.895,502 0.632,503 1.154,504 1.052,505 1.143,506 0.552,507 0.962,508 1.006,509 1.108,510 0.967,511 1.031,512 1,513 0.994,514 1.108,515 1.02,516 0.795,517 0.833,518 1.125,519 0.902,520 1.192,521 1.031,522 1.028,523 0.958,524 1.121,525 0.923,526 1.402,527 0.949,528 0.972,529 0.87,530 1.383,531 0.92,532 1.162,533 0.947,534 1.02,535 0.985,536 1.199,537 1.022,538 1.071,539 0.988,540 1.059,541 1.059,542 1.12,543 1.127,544 6.5,545 0.122,546 4.222,547 3.132,548 2.525,549 1.521,550 1.19,551 0.773,552 0.472,553 0.212,554 10228,555 32456,556 2.04,557 40,559 17,562 1,565 2,567 1.739,568 1.865,569 3.194,570 -0.316,571 1,572 1,575 84.037,576 1.681,577 3.488,578 4.226,579 4.677,580 4.989,581 5.109,582 2.644,583 4.148,584 4.877,585 3.35,586 1457.4,587 8.566,588 19462.8,590 1,592 1,593 282.193,594 1.679,595 4.809,596 0.197,597 0.008,598 0.086,599 0.06,600 0.05,601 0.029,602 0.023,603 0.015,604 0.011,605 0.007,606 0.487,607 0.33,608 1,609 0.628,610 149.987,611 0.039,612 -0.061,613 0.171,614 -0.011,615 -0.066,616 0.041,617 0.078,618 -0.058,619 -0.077,620 -0.089,621 0.107,622 -0.017,623 -0.052,624 -0.087,625 -0.077,626 -0.105,627 -0.079,628 -0.057,629 -0.034,630 -0.015,631 0.041,632 0.025,633 -0.086,634 0.02,635 -0.042,636 -0.009,637 -0.06,638 -0.013,639 0.019,640 0.001,641 -0.195,642 0.055,643 -0.054,644 0.048,645 -0.165,646 -0.01,647 -0.011,648 0.04,649 -0.076,650 -0.022,651 -0.013,652 -0.093,653 -0.025,654 -0.056,655 -0.09,656 -0.068,657 -0.018,658 -0.143,659 4.119,660 6.298,661 0.7,662 25.2,663 1.017,664 1.114,665 1.887,666 3.559,667 0.696,668 3.526,669 3.912,670 4.205,671 4.5,672 4.745,673 4.82,674 4.977,675 5.106,676 5.204,677 5.215,678 5.857,679 0.671,680 424.51,681 3.526,682 5.106,683 5.979,684 6.893,685 7.787,686 8.705,687 9.61,688 10.53,689 11.442,690 12.364,691 4,694 1,698 1,709 9,714 3,716 12,721 2,723 1,738 50,739 18,740 2,741 33,743 53,744 22,745 12,746 3,747 9,748 5,752 4,753 5,763 2,766 2,768 17,769 5,772 6,776 1,778 5,782 5,786 1,789 20,790 7,791 1,792 8,793 1,797 2,803 0.75,804 5,822 1,823 3,827 1,845 2,851 1,855 3,857 1,859 1,862 30,865 1,869 3,871 1,874 1,875 1,881 1,886 10,889 5,893 16.083,894 9.283,895 6.417,896 2.921,898 2.493,899 1.326,900 1,901 5.249,902 10.149,903 3.829,904 4.443,905 4.945,906 5.462,907 5.956,908 6.117,909 6.473,910 6.748,911 7.1,912 7.293,913 1,914 52,915 11.464,917 5.42,918 8.153,919 20.857,921 17.985,924 2.653,925 79.583,929 223.651,930 134.104,931 21.135,933 119.748,935 6.046,936 128.058,937 343.399,938 21.135,939 8.396,940 22.345,941 91.332,942 140.233,943 12.681,945 223.651,947 223.651,948 149.193,949 119.748,950 6.046,952 200.109,953 143.29,956 25.469,957 118.211,958 11.559,960 223.651,961 140.883,962 134.104,964 6.046,965 223.651,966 34.376,967 96.807,968 18.011,969 119.748,970 223.651,971 140.883,972 134.104,973 0.598,974 0.355,975 0.194,976 0.108,977 25,978 12,979 0.075,980 4,981 1,982 1.095,983 3.884,984 285.943,985 0.095,986 21,987 141.207,992 1,993 20.367,994 7.732,995 3.81,997 140.883,998 14.782,1003 0.791,1005 18.011,1006 498.638,1007 45,1011 -3.202,1013 63.165,1017 -1.516,1020 50.869,1021 55.7,1022 0.298,1023 0.618,1024 0.749,1025 0.829,1026 0.884,1027 0.905,1028 5.106,1029 1.473,1030 6.023,1031 4.269,1032 4.595,1033 5.13,1034 3.073,1035 6.925,1036 4.539,1037 6.355,1038 1.258,1039 7.648,1040 3.451,1041 4.443,1042 5.223,1043 0.325,1044 8.134,1045 4.314,1046 7.716,1047 1.026,1048 9.38,1049 3.158,1050 6.319,1051 7.402,1052 5.046,1053 11.21,1054 6.182,1055 9.116,1056 1,1057 11.173,1058 2.482,1059 6.957,1060 8.286,1061 0.268,1062 13.173,1063 6.747,1064 10.55,1065 0.96,1066 13.003,1067 2.368,1068 8.368,1069 10.012,1070 7.187,1071 15.834,1072 8.143,1073 12.006,1074 0.66,1075 14.856,1076 2.136,1077 9.326,1078 11.221,1079 0.188,1080 18.085,1081 9.044,1082 13.48,1083 0.511,1084 16.726,1085 1.729,1086 10.581,1087 12.791,1088 9.348,1089 20.619,1090 10.279,1091 3.387,1092 -0.093,1093 18.607,1094 1.286,1095 11.674,1096 14.142,1097 0.125,1098 22.994,1099 11.331,1100 3.242,1101 12.244,1102 20.497,1103 -0.249,1104 12.88,1105 15.654,1106 11.511,1107 25.488,1108 12.517,1109 2.795,1110 11.153,1111 22.395,1112 4.486,1113 14.029,1114 17.07,1115 0.082,1116 27.919,1117 13.64,1118 2.72,1119 9.512,1120 24.298,1121 4.277,1122 15.223,1123 18.561,1124 13.675,1125 30.403,1126 14.817,1127 2.377,1128 8.713,1129 26.207,1130 3.684,1131 16.398,1132 20.01,1133 0.054,1134 32.862,1135 15.975,1136 2.153,1137 7.858,1138 28.12,1139 3.47,1140 17.592,1141 21.493,1142 15.838,1143 35.345,1144 17.156,1145 1.768,1146 7.049,1147 30.037,1148 2.951,1149 18.78,1150 22.959,1151 0.035,1152 37.819,1153 18.334,1154 9851,1155 17685,1156 21.383,1157 34.784,1158 51.249,1159 56.112,1160 52.872,1161 50.796,1162 50.66,1163 66.482,1164 9.617,1165 154.817,1166 49.429,1167 5.7,1168 7.139,1169 6.907,1170 5.465,1171 5.387,1172 7.486,1173 5.9,1174 20.244,1175 5.359,1176 16.699,1177 1.553,1178 1.7,1179 1.602,1180 1.539,1181 1.535,1182 2.015,1183 0.291,1184 4.691,1185 1.498,1186 4.114,1187 4.11,1188 4.745,1189 4.098,1190 7.713,1191 4.008,1192 4.007,1193 4.001,1194 4.013,1195 3.951,1196 7.439,1197 3.92,1198 3.901,1199 3.926,1200 3.842,1201 3.839,1202 7.426,1203 3.835,1204 3.613,1205 3.648,1206 3.575,1207 3.484,1208 7.418,1209 3.49,1210 3.362,1211 3.407,1212 3.33,1213 3.153,1214 6.999,1215 3.15,1216 3.211,1217 3.224,1218 3.167,1219 3.026,1220 4.735,1221 3.04,1222 3.104,1223 3.108,1224 3.078,1225 2.919,1226 4.686,1227 2.941,1228 3.044,1229 3.091,1230 2.867,1231 2.842,1232 4.358,1233 2.807,1234 0.143,1235 0.156,1236 0.215,1237 0.132,1238 0.103,1239 4.73,1240 0.136,1241 5.139,1242 0.089,1243 7.105,1244 0.371,1245 4.371,1246 0.102,1247 3.387,1248 4.486,1249 2.95,1250 12.244,1251 3.359,1252 1.987,1253 1.974,1254 2.057,1255 2.085,1256 1.264,1257 2.074,1258 1.897,1259 1.872,1260 2.013,1261 1.982,1262 1.223,1263 1.992,1264 1.752,1265 1.803,1266 1.871,1267 1.856,1268 1.146,1269 1.923,1270 1.667,1271 1.615,1272 1.666,1273 1.815,1274 1.073,1275 1.855,1276 1.457,1277 1.417,1278 1.561,1279 1.633,1280 0.749,1281 1.628,1282 1.176,1283 1.13,1284 1.493,1285 1.442,1286 0.556,1287 1.469,1288 1.102,1289 1.038,1290 1.256,1291 1.337,1292 0.278,1293 1.313,1294 1.001,1295 0.978,1296 1.185,1297 1.212,1298 0.23,1299 1.182,1300 4.205,1302 5.572,1303 2.398,1304 7.135,1305 4.727,1306 8.787,1307 6.804,1308 10.492,1310 1.592,1315 0.279,1317 2.611,1320 -0.448,1321 1.529,1326 33.545,1327 84.037,1328 174.405,1329 211.299,1330 233.828,1331 249.438,1332 255.438,1333 91.187,1334 7.656,1335 100.62,1336 109,1337 23,1338 12.874,1339 4.248,1340 3.7,1341 46.502,1342 101,1343 116,1344 0.22,1345 207.655,1346 375.98,1347 498.439,1348 21148,1350 21.466,1351 0.716,1352 0.57,1353 21.716,1354 17.108,1355 14.282,1356 0.433,1357 0.343,1358 9.55,1359 13.038,1360 9.162,1361 7.535,1362 15.136,1363 11.328,1364 13.709,1365 0.28,1366 0.197,1367 15.018,1368 9.644,1369 11.458,1370 0.174,1371 0.11,1372 12.276,1373 7.229,1374 9.656,1375 0.108,1376 0.063,1377 10.494,1378 5.628,1379 7.905,1380 0.069,1381 0.031,1382 8.608,1383 3.575,1384 0.331,1385 97.993,1386 0.216,1387 27.542,1388 0.651,1389 164,1390 535.516,1391 211.85,1392 532.694,1393 703.59,1394 488,1395 197,1396 476.361,1397 253.058,1398 511.786,1399 747.57,1400 479,1401 4.51}
{0 CHEMBL1543238,1 1.613,2 9.6,3 2.089,4 4.365,5 74.39,6 8.384,7 0.545,8 3.604,9 3.69,10 3.271,11 3.144,12 4.821,13 3.166,14 4.073,15 4.184,16 3.582,17 3.461,18 5.317,19 3.475,20 4.197,21 4.369,22 3.502,23 3.48,24 5.42,25 3.455,26 4.131,27 4.314,28 3.293,29 3.34,30 5.331,31 3.287,32 4.011,33 4.223,34 3.079,35 3.171,36 5.143,37 3.098,38 3.833,39 4.041,40 2.985,41 3.028,42 4.964,43 2.983,44 3.749,45 3.939,46 2.972,47 2.968,48 4.926,49 2.941,50 3.654,51 3.825,52 2.975,53 2.933,54 4.915,55 2.912,56 0.071,57 0.442,58 5.035,59 2.75,60 5.963,61 2.961,62 0.301,63 0.676,64 9.704,65 4.292,66 17.232,67 4.518,68 0.291,69 0.772,70 12.56,71 4.999,72 28.065,73 5.916,74 0.346,75 0.692,76 12.492,77 4.843,78 30.83,79 5.776,80 0.309,81 0.608,82 12.091,83 4.514,84 31.59,85 5.646,86 0.217,87 0.518,88 9.849,89 3.541,90 20.37,91 4.358,92 0.21,93 0.465,94 8.915,95 3.284,96 22.602,97 3.866,98 0.247,99 0.427,100 7.645,101 2.922,102 24.309,103 3.455,104 2,105 29,106 0.299,107 0.637,108 0.803,109 0.904,110 0.916,111 0.916,112 3.056,113 0.833,114 -2.5,115 -2.52,116 -2.47,120 46.9,127 1,136 1,138 1,143 6,145 3,146 1,147 1,158 1,174 3,176 1,177 5,182 3,185 2,188 1,189 6,194 1,197 2,201 2,204 2,209 3,214 1,217 2,219 1,222 2,227 3,232 1,240 4,245 1,247 2,251 1,252 1,260 3,263 2,264 1,271 3,274 458,275 13.845,276 13.845,277 13.845,278 13.845,279 13.845,280 12.095,281 15.797,282 8.437,283 14.087,284 10.882,285 10.882,286 10.882,287 10.882,288 10.882,289 8.215,290 23.483,291 4.019,292 11.252,293 3.387,294 1.564,295 0.672,296 0.125,297 0.063,298 0.063,299 3.741,305 1,306 1,307 1,308 421,309 2.828,312 48.834,313 122.236,316 84.537,320 1.44,321 19.562,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44,333 192,334 4.29,335 3.487,336 6.193,337 3.891,338 2.941,339 3.926,340 1.392,341 9.255,342 2.801,343 4.161,344 3.31,345 6.018,346 3.787,347 2.783,348 3.697,349 0.532,350 8.538,351 2.777,352 3.604,353 2.564,354 5.259,355 3.252,356 2.303,357 2.915,358 0.4,359 6.685,360 2.178,361 3.348,362 2.179,363 4.369,364 2.84,365 1.839,366 2.647,368 4.286,369 1.834,370 2.887,371 1.992,372 4.311,373 2.478,374 1.534,375 2.025,377 4.202,378 1.439,379 2.832,380 1.778,381 3.562,382 2.296,383 1.321,384 1.883,386 2.87,387 1.285,388 2.5,389 1.387,390 3.448,391 2.1,392 1.106,393 1.5,395 2.474,396 1.097,397 2.416,398 1.323,399 3.247,400 1.959,401 1,402 1.26,404 2.136,405 0.956,406 2.196,407 1,408 3.23,409 1.84,410 0.841,411 1.119,413 1.907,414 0.832,415 1.715,416 0.796,417 3,418 1.38,419 0.44,420 0.537,422 1.05,423 0.409,424 1.177,425 0.306,426 2.564,427 0.811,428 -0.174,429 -0.23,431 -0.42,432 -0.17,433 0.751,434 -0.31,435 2.222,436 0.256,437 -0.727,438 -0.912,440 -1.604,441 -0.702,442 0.62,443 -0.581,444 1.851,445 0.22,446 -0.786,447 -1.156,449 -1.899,450 -0.785,451 0.5,452 -0.59,453 1.555,454 0.066,455 -0.928,456 -1.204,458 -2.347,459 -0.919,460 0.41,461 -0.961,462 1.55,463 -0.025,464 -1,465 -1.5,467 -2.511,468 -0.973,469 9.3,470 0.465,471 0.346,472 0.017,473 29.75,474 1.488,475 16.5,476 0.825,477 13.25,478 0.663,479 10.354,480 0.518,481 20.7,482 0.647,483 19.007,484 0.95,485 6.248,486 0.312,487 3.579,488 0.179,489 0.036,491 0.269,496 0.82,497 1.214,498 0.669,499 1.044,500 0.631,501 0.86,502 1.105,503 1.149,504 0.933,505 1.005,506 0.775,507 0.941,508 0.955,509 1.085,510 1.001,511 1.037,512 0.915,513 1.022,514 1.001,515 1.038,516 1.145,517 1.09,518 1.224,519 1.144,520 0.919,521 0.915,522 1.047,523 0.989,524 1.365,525 1.048,526 1.042,527 0.958,528 1.011,529 0.922,530 1.051,531 0.939,532 1.192,533 0.954,534 0.985,535 0.891,536 1.44,537 0.887,538 0.911,539 0.879,540 0.928,541 0.87,542 1.12,543 0.885,544 3,545 0.04,546 2,547 0.944,548 0.519,549 0.323,550 0.217,551 0.143,552 0.113,553 0.102,554 4483,555 13727,556 2.138,557 37.5,559 7,560 3,561 1,562 1,567 1.609,568 2.069,569 3.269,570 -0.271,572 1,574 1,575 51.622,576 1.613,577 3.436,578 4.328,579 4.875,580 4.938,581 4.938,582 2.684,583 3.922,584 4.3,585 3.404,586 646.792,587 7.297,588 6925.1,589 1,590 1,592 1,593 160,594 1.076,595 4.283,596 0.136,597 0.004,598 0.069,599 0.036,600 0.026,601 0.02,602 0.014,603 0.01,604 0.008,605 0.007,606 0.331,607 0.5,608 1,609 0.432,610 90.747,611 -0.07,612 -0.15,613 0.048,614 -0.088,615 -0.085,616 -0.008,617 -0.051,618 -0.122,619 -0.097,620 -0.062,621 -0.055,622 -0.083,623 -0.071,624 -0.065,625 -0.079,626 -0.092,627 0.03,628 -0.085,629 -0.027,630 -0.067,631 -0.172,632 -0.13,633 -0.066,634 -0.18,635 0.006,636 0.023,637 -0.013,638 -0.008,639 -0.119,640 -0.024,641 -0.136,642 0.022,643 0.002,644 0.038,645 -0.04,646 0.059,647 -0.172,648 0.002,649 0.021,650 0.079,651 -0.133,652 0.095,653 0.091,654 0.107,655 0.033,656 0.093,657 0.046,658 0.068,659 1.821,660 4.788,661 0.75,662 14.3,663 1.019,664 1.116,665 1.267,666 1.606,667 0.693,668 3.135,669 3.401,670 3.638,671 3.829,672 3.932,673 3.871,674 3.912,675 3.912,676 3.784,677 3.871,678 5.838,679 0.682,680 268.29,681 3.135,682 4.635,683 5.46,684 6.301,685 7.138,686 7.983,687 8.825,688 9.671,689 10.515,690 11.363,691 6.3,696 1,701 1,709 7,710 1,714 4,716 12,721 1,729 1,735 2,738 32,739 14,740 1,741 22,743 34,744 15,745 11,746 3,747 3,748 3,752 3,753 4,768 14,769 1,772 2,778 1,780 2,782 1,785 1,786 1,789 12,790 5,791 1,792 5,797 2,803 0.667,804 3,816 1,822 1,823 2,826 1,845 1,855 2,862 20,869 1,871 1,872 2,886 9.4,889 1,891 2,893 9.667,894 5.7,895 4.472,896 1.735,898 2.703,899 1.414,900 0.99,901 3.655,902 9.231,903 3.434,904 3.97,905 4.511,906 4.997,907 5.448,908 5.478,909 5.722,910 5.904,911 6.016,912 6.373,913 1,914 26,915 7.334,917 3.065,918 7.867,919 13.71,921 10.773,924 2.367,925 47.333,929 129.482,930 112.213,931 34.796,933 47.145,936 112.213,937 176.627,938 34.796,940 15.698,941 66.334,942 76.846,943 47.048,944 35.313,945 82.398,947 129.482,948 147.009,949 47.145,952 129.482,953 47.145,956 18.454,957 84.282,958 44.273,960 129.482,961 81.941,962 112.213,965 129.482,966 27.784,967 84.429,968 18.011,969 63.93,970 129.482,971 81.941,972 112.213,973 0.567,974 0.329,975 0.173,976 0.084,977 14,978 5,979 0.118,980 4,981 1,982 1.133,983 3.453,984 141.364,985 0.133,986 15,987 86.439,993 12.696,994 5.758,995 2.999,997 81.941,998 12.296,999 3.986,1003 2.652,1005 18.011,1006 323.636,1007 30,1013 11.788,1015 3.015,1017 -0.154,1020 32.604,1021 35.701,1022 0.323,1023 0.687,1024 0.866,1025 0.975,1026 0.988,1027 0.988,1028 4.625,1029 1,1030 5.398,1031 2.474,1032 4.078,1033 4.654,1034 1.751,1035 6.129,1036 4.015,1037 5.798,1038 0.841,1039 6.903,1040 2.136,1041 3.434,1042 4.205,1044 6.862,1045 3.353,1046 7.07,1047 0.44,1048 8.509,1049 1.907,1050 5.587,1051 6.762,1052 2.164,1053 9.93,1054 5.464,1055 8.38,1056 -0.174,1057 10.179,1058 1.05,1059 5.832,1060 7.167,1062 11.533,1063 5.684,1064 9.723,1065 -0.727,1066 11.889,1067 -0.42,1068 7.378,1069 9.14,1070 2.746,1071 14.056,1072 7.197,1073 11.089,1074 -0.786,1075 13.627,1076 -1.604,1077 8.042,1078 9.958,1080 16.001,1081 7.831,1082 12.472,1083 -0.928,1084 15.384,1085 -1.899,1086 9.322,1087 11.656,1088 3.372,1089 18.33,1090 9.082,1091 2.941,1092 -1,1093 17.154,1094 -2.347,1095 10.189,1096 12.698,1098 20.419,1099 9.917,1100 2.783,1101 9.255,1102 18.934,1103 -2.511,1104 11.348,1105 14.249,1106 4.015,1107 22.673,1108 11.047,1109 2.303,1110 8.538,1111 20.721,1112 3.926,1113 12.315,1114 15.418,1116 24.825,1117 11.979,1118 1.839,1119 6.685,1120 22.513,1121 3.697,1122 13.419,1123 16.887,1124 4.667,1125 27.05,1126 13.053,1127 1.534,1128 4.286,1129 24.309,1130 2.915,1131 14.434,1132 18.13,1134 29.231,1135 14.033,1136 1.321,1137 4.202,1138 26.108,1139 2.647,1140 15.515,1141 19.551,1142 5.323,1143 31.445,1144 15.081,1145 1.106,1146 2.87,1147 27.909,1148 2.025,1149 16.554,1150 20.838,1152 33.641,1153 16.084,1154 4246,1155 7536,1156 15.197,1157 22.182,1158 32.621,1159 33.604,1160 32.546,1161 32.191,1162 32.216,1163 43.017,1164 4.646,1165 86.808,1166 31.217,1167 5.113,1168 5.487,1169 5.995,1170 4.934,1171 4.941,1172 6.926,1173 2.783,1174 15.527,1175 4.801,1176 5.3,1177 1.483,1178 1.527,1179 1.479,1180 1.463,1181 1.464,1182 1.955,1183 0.211,1184 3.946,1185 1.419,1186 3.971,1187 3.99,1188 3.926,1189 3.858,1190 7.428,1191 3.87,1192 3.883,1193 3.911,1194 3.835,1195 3.774,1196 5.014,1197 3.783,1198 3.547,1199 3.586,1200 3.467,1201 3.398,1202 4.862,1203 3.407,1204 3.289,1205 3.313,1206 3.198,1207 3.032,1208 4.515,1209 3.07,1210 2.993,1211 3.043,1212 2.882,1213 2.81,1214 4.162,1215 2.817,1216 2.823,1217 2.881,1218 2.694,1219 2.697,1220 3.965,1221 2.687,1222 2.769,1223 2.845,1224 2.627,1225 2.566,1226 3.831,1227 2.574,1228 2.563,1229 2.643,1230 2.41,1231 2.406,1232 3.601,1233 2.394,1234 0.195,1235 0.158,1236 0.282,1237 0.177,1238 0.134,1239 4.29,1240 0.178,1241 3.487,1242 0.063,1243 6.193,1244 0.421,1245 3.891,1246 0.127,1247 2.941,1248 3.926,1249 1.392,1250 9.255,1251 2.801,1252 1.875,1253 1.85,1254 1.971,1255 1.999,1256 1.059,1257 1.992,1258 1.833,1259 1.806,1260 1.935,1261 1.947,1262 0.961,1263 1.945,1264 1.487,1265 1.452,1266 1.646,1267 1.649,1268 0.651,1269 1.649,1270 1.16,1271 1.128,1272 1.438,1273 1.519,1274 0.578,1275 1.485,1276 0.969,1277 0.932,1278 1.165,1279 1.214,1280 0.214,1281 1.186,1282 0.794,1283 0.747,1284 1.091,1285 1.002,1286 0.16,1287 1.031,1288 0.785,1289 0.716,1290 1.019,1291 0.988,1292 0.056,1293 1.017,1294 0.668,1295 0.612,1296 0.875,1297 0.885,1299 0.887,1300 3.807,1302 5.081,1303 2.398,1304 6.55,1305 4.595,1306 8.103,1307 6.581,1308 9.7,1315 0.243,1317 3.01,1318 10.496,1326 21.821,1327 51.622,1328 109.961,1329 138.49,1330 156,1331 158,1332 158,1333 24.787,1334 6.528,1335 60.45,1336 60.45,1337 17,1338 11.923,1339 3.907,1340 3.17,1341 30.279,1342 72,1343 56,1344 0.206,1345 134.634,1346 236.43,1347 320.266,1348 5748,1350 13.786,1351 0.689,1352 0.529,1353 13.786,1354 10.575,1355 9.826,1356 0.447,1357 0.278,1358 5.994,1359 9.367,1360 5.9,1361 4.896,1362 9.826,1363 6.109,1364 8.436,1365 0.291,1366 0.142,1367 8.436,1368 4.125,1369 7.125,1370 0.193,1371 0.075,1372 7.125,1373 2.775,1374 5.729,1375 0.127,1376 0.04,1377 5.729,1378 1.794,1379 4.206,1380 0.084,1381 0.022,1382 4.206,1383 1.084,1384 0.332,1385 62.261,1386 0.257,1387 20.447,1388 0.54,1389 102,1390 355.185,1391 114.852,1392 333.844,1393 452.46,1394 314,1395 117,1396 326.982,1397 129.965,1398 328.467,1399 477.4,1400 308,1401 5.336}
{0 CHEMBL1543295,1 2.063,2 8.409,3 4.878,4 23.792,5 90.966,6 12.376,7 0.708,8 3.553,9 3.586,10 3.746,11 3.368,12 4.766,13 3.288,14 4.017,15 4.062,16 4.141,17 3.759,18 5.51,19 3.665,20 4.229,21 4.308,22 4.32,23 3.843,24 5.637,25 3.734,26 4.261,27 4.363,28 4.182,29 3.736,30 5.816,31 3.642,32 4.094,33 4.169,34 4.137,35 3.654,36 5.656,37 3.549,38 4.007,39 4.09,40 3.981,41 3.506,42 5.599,43 3.419,44 3.772,45 3.879,46 3.658,47 3.261,48 5.206,49 3.176,50 3.581,51 3.745,52 3.268,53 3.04,54 4.831,55 2.919,56 0.12,57 0.399,58 1.746,59 2.406,60 19.747,61 1.989,62 0.283,63 0.592,64 3.967,65 3.846,66 46.137,67 3.374,68 0.397,69 0.759,70 17.428,71 6.409,72 43.6,73 5.675,74 0.593,75 0.824,76 17.157,77 6.419,78 80.1,79 5.149,80 0.47,81 0.735,82 19.835,83 6.549,84 62.406,85 4.284,86 0.481,87 0.671,88 14.619,89 5.498,90 64.049,91 3.026,92 0.327,93 0.467,94 8.776,95 3.646,96 39.526,97 2.608,98 0.247,99 0.348,100 5.292,101 2.89,102 26.073,103 3.42,104 17,105 35,106 0.381,107 0.574,108 0.681,109 0.816,110 0.845,111 0.845,112 3.148,113 1.136,114 -4.6,115 -4.52,116 -4.26,120 46.7,143 8,144 1,145 3,147 1,154 1,167 1,174 7,176 1,177 1,185 9,189 7,197 8,200 4,201 8,209 1,214 13,222 2,227 9,235 5,240 4,247 7,252 2,260 7,271 5,274 610,275 14.532,276 14.532,277 14.532,278 14.532,279 14.532,280 12.206,281 6.484,282 8.427,283 15.174,284 11.808,285 11.808,286 11.808,287 11.808,288 11.808,289 8.369,290 4.874,291 3.953,292 13.042,293 2.843,294 1.8,295 1.225,296 0.492,297 0.333,298 0.333,299 3.819,303 2,306 1,307 1,308 394,309 3,312 61.431,313 136.413,320 1.264,321 33.641,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 47.667,333 185,334 5.009,335 5.359,336 7.735,337 4.422,338 3.565,339 4.909,340 2.95,341 13.983,342 3.047,343 4.256,344 3.361,345 6.395,346 3.818,347 2.867,348 3.916,350 9.625,351 2.714,352 4.077,353 3.152,354 5.906,355 3.554,356 2.672,357 3.675,359 8.063,360 2.266,361 3.562,362 2.591,363 5.39,364 3.029,365 2.085,366 3.063,368 6.109,369 1.939,370 3.09,371 2.145,372 4.58,373 2.548,374 1.603,375 2.318,377 4.445,378 1.465,379 2.88,380 1.864,381 4.049,382 2.378,383 1.414,384 2.045,386 3.517,387 1.355,388 2.819,389 1.41,390 3.881,391 2.304,392 1.397,393 1.946,395 3.123,396 1.195,397 2.5,398 1.142,399 3.512,400 2,401 1,402 1.5,404 2.136,405 1,406 2.357,407 1,408 3.338,409 1.809,410 0.828,411 1.248,413 2.133,414 0.806,415 2.264,416 0.78,417 3.247,418 1.656,419 0.768,420 1.145,422 1.939,423 0.666,424 1.369,425 0.655,426 2.907,427 0.822,428 0.09,429 0.109,431 0.196,432 0.053,433 1,434 0.22,435 2.516,436 0.353,437 -0.629,438 -0.818,440 -1.449,441 -0.436,442 0.775,443 -0.145,444 2.375,445 0.226,446 -0.651,447 -0.871,449 -1.711,450 -0.619,451 0.743,452 -0.338,453 2.226,455 -1,456 -1.5,458 -2.347,459 -0.886,460 0.5,461 -0.735,462 2,464 -1,465 -1.519,467 -2.891,468 -1,469 11.562,470 0.526,471 0.674,472 0.031,473 32.25,474 1.466,475 19,476 0.864,477 13.25,478 0.602,479 15.775,480 0.717,481 22.038,482 0.735,483 22.196,484 1.009,485 6.099,486 0.277,487 4.399,488 0.2,489 0.181,490 0.072,491 0.259,496 0.392,497 0.91,498 0.642,499 0.947,500 0.641,501 0.698,502 0.641,503 1.041,504 0.601,505 0.76,506 0.652,507 0.816,508 0.855,509 1.174,510 0.947,511 1.195,512 0.915,513 1,514 1.27,515 0.954,516 0.912,517 0.867,518 1.481,519 0.889,520 1.164,521 1.211,522 1.193,523 1.326,524 1.185,525 0.969,526 1.365,527 1.096,528 1.121,529 1.149,530 1.376,531 1.001,532 1.192,533 0.985,534 0.861,535 0.874,536 1.273,537 1.084,538 0.624,539 0.808,540 0.709,541 0.703,542 0.629,543 1.121,544 5,545 0.037,546 3.778,547 1.931,548 1.579,549 0.882,550 0.391,551 0.267,552 0.162,553 0.081,554 4433,555 18974,556 2.032,557 26.7,559 8,567 1.65,568 1.872,569 3.07,570 -0.627,575 61.904,576 2.063,577 3.107,578 3.682,579 4.415,580 4.574,581 4.574,582 2.495,583 3.971,584 4.432,585 3.154,586 728.491,587 7.639,588 7707.65,590 1,593 147.207,594 1.661,595 4.366,596 0.208,597 0.009,598 0.108,599 0.054,600 0.046,601 0.028,602 0.015,603 0.014,604 0.012,605 0.01,606 0.506,607 0.33,608 1,609 0.65,610 98.989,611 0.156,612 0.049,613 0.056,614 -0.103,615 -0.13,616 0.015,617 0.103,618 -0.141,619 0.087,620 0.044,621 0.149,622 -0.069,623 0.05,624 -0.246,625 0.067,626 -0.164,627 0.018,628 -0.028,629 -0.084,630 0.11,631 -0.018,632 0.151,633 -0.103,634 0.056,635 -0.091,636 -0.07,637 -0.154,638 -0.14,639 0.022,640 -0.041,641 -0.203,642 0.05,643 -0.175,644 -0.086,645 -0.078,646 -0.127,647 -0.163,648 -0.011,649 -0.03,650 -0.042,651 -0.236,652 -0.185,653 0.179,654 -0.011,655 0.166,656 0.062,657 0.004,658 0.01,659 4.68,660 5.781,661 0.773,662 14.727,663 1.04,664 1.093,665 3.373,666 11.374,667 0.833,668 3.219,669 3.584,670 3.871,671 4.094,672 4.277,673 4.29,674 4.29,675 4.29,676 4.304,677 4.19,678 4.957,679 0.787,680 371.28,681 3.219,682 4.779,683 5.645,684 6.544,685 7.434,686 8.338,687 9.237,688 10.145,689 11.048,690 11.958,691 6.7,701 2,709 8,710 2,713 1,714 6,716 17,737 2,738 30,739 19,740 2,741 24,743 32,744 14,745 14,746 4,747 8,752 3,753 3,754 2,768 14,772 2,776 1,778 2,789 8,790 4,792 8,793 4,797 2,803 1,804 2,822 1,823 2,855 3,857 2,860 2,862 22,865 1,885 2,886 6.7,889 2,893 11.75,894 5.519,895 4.75,896 1.618,898 3.134,899 1.466,900 1.017,901 4.282,902 9.858,903 3.57,904 4.252,905 4.847,906 5.406,907 5.886,908 6.131,909 6.404,910 6.67,911 6.995,912 7.17,913 0.833,914 36,915 8.361,917 3.933,918 8.09,919 14.984,921 12.537,924 2.59,925 56.972,929 94.169,930 127.402,931 31.517,932 78.297,933 44.313,935 37.098,936 90.304,937 216.779,938 31.517,941 81.856,942 75.829,943 14.494,945 125.221,946 78.297,947 94.169,948 121.821,949 44.313,950 115.395,952 94.169,953 44.313,956 2.757,957 87.548,958 115.86,959 31.052,960 94.169,961 75.829,962 205.699,964 6.046,965 94.169,966 45.546,967 75.81,969 154.127,970 94.169,971 75.829,972 205.699,973 0.595,974 0.358,975 0.183,976 0.098,977 18,978 8,979 0.094,980 3,982 1,983 3.289,984 178.088,986 17,987 92.107,989 1,992 1,993 15.566,994 6.051,995 2.955,997 75.829,998 13.222,999 7.732,1002 0.831,1003 1.64,1006 375.698,1007 34.5,1011 -3.763,1013 25.563,1020 31.193,1021 32.804,1022 0.421,1023 0.633,1024 0.75,1025 0.9,1026 0.932,1027 0.932,1028 4.806,1029 1,1030 5.687,1031 3.123,1032 4.263,1033 4.938,1034 2.913,1035 6.597,1036 4.063,1037 6.079,1038 0.828,1039 7.324,1040 2.136,1041 4.111,1042 5.037,1044 7.96,1045 3.654,1046 7.451,1047 0.768,1048 9.089,1049 2.133,1050 5.999,1051 7.319,1052 5.027,1053 11.07,1054 5.56,1055 8.874,1056 0.09,1057 10.932,1058 1.939,1059 6.698,1060 8.276,1062 13.28,1063 5.978,1064 10.338,1065 -0.629,1066 12.828,1067 0.196,1068 8.128,1069 10.073,1070 7.185,1071 16.031,1072 7.394,1073 11.831,1074 -0.651,1075 14.759,1076 -1.449,1077 9.164,1078 11.386,1080 18.521,1081 8.175,1082 13.348,1083 -1,1084 16.716,1085 -1.711,1086 10.457,1087 13.026,1088 9.348,1089 21.185,1090 9.399,1091 3.565,1092 -1,1093 18.692,1094 -2.347,1095 11.626,1096 14.491,1098 23.77,1099 10.346,1100 2.867,1101 13.983,1102 20.683,1103 -2.891,1104 12.884,1105 16.083,1106 11.511,1107 26.413,1108 11.491,1109 2.672,1110 9.625,1111 22.685,1112 4.909,1113 14.106,1114 17.614,1116 29.031,1117 12.517,1118 2.085,1119 8.063,1120 24.695,1121 3.916,1122 15.36,1123 19.195,1124 13.675,1125 31.669,1126 13.631,1127 1.603,1128 6.109,1129 26.713,1130 3.675,1131 16.605,1132 20.755,1134 34.299,1135 14.694,1136 1.414,1137 4.445,1138 28.736,1139 3.063,1140 17.863,1141 22.336,1142 15.838,1143 36.936,1144 15.797,1145 1.397,1146 3.517,1147 30.764,1148 2.318,1149 19.119,1150 23.91,1152 39.571,1153 16.88,1154 4379,1155 9241,1156 15.603,1157 24.977,1158 36.876,1159 38.648,1160 37.737,1161 36.869,1162 36.582,1163 51.747,1164 5.9,1165 110.535,1166 33.013,1167 5.793,1168 7.359,1169 7.537,1170 5.592,1171 5.565,1172 7.909,1173 5.9,1174 22.391,1175 5.047,1176 11.021,1177 1.537,1178 1.61,1179 1.572,1180 1.536,1181 1.524,1182 2.156,1183 0.246,1184 4.606,1185 1.376,1186 4.127,1187 4.095,1188 4.802,1189 4.167,1190 7.715,1191 4.058,1192 3.896,1193 3.916,1194 4.094,1195 3.851,1196 6.999,1197 3.837,1198 3.698,1199 3.697,1200 3.979,1201 3.679,1202 5.037,1203 3.619,1204 3.351,1205 3.333,1206 3.75,1207 3.262,1208 4.992,1209 3.184,1210 2.878,1211 2.925,1212 3.4,1213 2.793,1214 4.681,1215 2.765,1216 2.854,1217 2.921,1218 3.086,1219 2.735,1220 4.49,1221 2.715,1222 2.765,1223 2.817,1224 2.84,1225 2.712,1226 4.178,1227 2.657,1228 2.647,1229 2.654,1230 2.687,1231 2.542,1232 3.674,1233 2.505,1234 0.209,1235 0.223,1236 0.322,1237 0.184,1238 0.149,1239 5.009,1240 0.205,1241 5.359,1242 0.123,1243 7.735,1244 0.583,1245 4.422,1246 0.127,1247 3.565,1248 4.909,1249 2.95,1250 13.983,1251 3.047,1252 1.979,1253 2.004,1254 2.018,1255 2.01,1256 1.217,1257 2.051,1258 1.885,1259 1.863,1260 1.908,1261 1.949,1262 1.076,1263 1.973,1264 1.525,1265 1.566,1266 1.328,1267 1.566,1268 0.734,1269 1.623,1270 1.075,1271 1.047,1272 1.181,1273 1.301,1274 0.262,1275 1.268,1276 0.886,1277 0.824,1278 1.11,1279 1.062,1280 0.218,1281 1.107,1282 0.868,1283 0.821,1284 0.954,1285 1.014,1286 0.159,1287 1.057,1288 0.813,1289 0.817,1290 0.778,1291 0.95,1293 0.983,1294 0.597,1295 0.551,1296 0.598,1297 0.747,1299 0.793,1300 3.892,1302 5.242,1303 2.398,1304 6.797,1305 4.595,1306 8.442,1307 6.629,1308 10.134,1311 11.748,1326 23.609,1327 61.904,1328 93.207,1329 110.452,1330 132.452,1331 137.207,1332 137.207,1333 46.513,1334 6.724,1335 59.92,1336 96.54,1337 17,1338 12.475,1339 4.322,1340 3.524,1341 34.262,1342 64,1343 64,1344 0.268,1345 159.973,1346 266.88,1347 382.093,1348 6465,1349 6.7,1350 15.742,1351 0.716,1352 0.639,1353 17.346,1354 14.047,1355 10.498,1356 0.437,1357 0.379,1358 6.282,1359 8.565,1360 5.89,1361 4.856,1362 12.318,1363 9.091,1364 9.885,1365 0.282,1366 0.231,1367 12.519,1368 8.068,1369 8.431,1370 0.179,1371 0.141,1372 11.601,1373 6.65,1374 6.565,1375 0.111,1376 0.078,1377 9.196,1378 4.615,1379 5.131,1380 0.072,1381 0.047,1382 7.664,1383 3.319,1384 0.403,1385 83.721,1386 0.253,1387 21.208,1388 0.79,1389 118,1390 412.889,1391 224.206,1392 504.373,1393 658.16,1394 460,1395 141,1396 392.147,1397 247.98,1398 471.849,1399 688,1400 440,1401 5.013}
{0 CHEMBL1543337,1 1.474,2 8.591,3 5.062,4 25.621,5 87.902,6 8.21,7 0.84,8 3.683,9 3.788,10 3.351,11 3.345,12 4.919,13 3.323,14 4.144,15 4.277,16 3.705,17 3.75,18 5.236,19 3.713,20 4.373,21 4.534,22 3.803,23 3.849,24 5.48,25 3.802,26 4.454,27 4.656,28 3.721,29 3.759,30 5.599,31 3.705,32 4.329,33 4.554,34 3.535,35 3.545,36 5.526,37 3.5,38 4.099,39 4.301,40 3.319,41 3.39,42 5.309,43 3.335,44 3.879,45 4.076,46 3.106,47 3.242,48 5.014,49 3.174,50 3.793,51 3.98,52 2.949,53 3.151,54 4.954,55 3.069,56 0.088,57 0.492,58 5.573,59 2.831,60 10.93,61 3.492,62 0.024,63 0.768,64 9.672,65 4.844,66 7.678,67 6.103,68 0.034,69 0.98,70 13.236,71 6.116,72 12.08,73 7.786,74 0.125,75 1.085,76 16.46,77 6.552,78 22.829,79 8.346,80 0.262,81 0.963,82 16.114,83 5.578,84 36.734,85 6.933,86 0.199,87 0.726,88 12.272,89 4.599,90 33.202,91 5.567,92 0.097,93 0.584,94 9.318,95 3.719,96 17.926,97 4.594,98 0.1,99 0.516,100 8.483,101 3.508,102 18.733,103 4.202,104 6,105 36,106 0.262,107 0.573,108 0.702,109 0.816,110 0.836,111 0.846,112 3.148,113 0.85,114 -4.55,115 -4.47,116 -4.21,120 51.4,121 1,143 9,144 5,145 1,147 1,153 1,167 1,170 1,174 14,177 4,182 2,185 17,189 9,194 4,197 15,201 9,204 1,206 4,209 9,213 1,214 7,217 1,219 3,222 7,226 1,227 6,232 1,235 8,240 4,245 1,247 11,252 3,260 10,264 2,271 8,274 562,275 15.301,276 15.301,277 15.301,278 15.301,279 15.301,280 12.86,281 7.876,282 8.885,283 15.435,284 12.285,285 12.285,286 12.285,287 12.285,288 12.285,289 8.555,290 7.325,291 4.115,292 12.446,293 3.655,294 1.902,295 1.18,296 0.536,297 0.422,298 0.364,299 3.85,306 1,307 1,308 421,309 2.236,312 32.869,313 143.384,316 127.115,320 1.355,321 13.471,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46.5,333 189,334 4.829,335 3.415,336 7.05,337 4.342,338 3.354,339 4.937,340 0.894,341 12.153,342 3.312,343 4.221,344 2.865,345 6.161,346 3.829,347 2.84,348 3.875,350 9.124,351 2.808,352 3.804,353 2.608,354 5.692,355 3.35,356 2.355,357 3.41,359 7.283,360 2.342,361 3.62,362 2.482,363 5.679,364 3.156,365 2.178,366 3.084,368 7.258,369 2.137,370 3.551,371 2.163,372 5.038,373 3.11,374 2.123,375 2.966,377 6.053,378 2.086,379 2.951,380 1.85,381 4.322,382 2.461,383 1.47,384 2.164,386 3.986,387 1.455,388 2.824,389 1.493,390 3.896,391 2.319,392 1.331,393 1.983,395 3.114,396 1.313,397 2.57,398 1.339,399 3.757,400 2.037,401 1.053,402 1.569,404 2.685,405 1.035,406 2.546,407 1.059,408 3.553,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.414,418 1.974,419 1,420 1.455,422 2.258,423 0.972,424 1.888,425 0.689,426 2.818,427 1.219,428 0.221,429 0.357,431 0.377,432 0.221,433 1.231,434 0.097,435 2.596,436 0.868,437 -0.131,438 -0.171,440 -0.283,441 -0.131,442 0.907,443 -0.345,444 2.406,445 0.439,446 -0.555,447 -0.796,449 -1.288,450 -0.55,451 0.8,452 -0.683,453 2.225,454 0.279,455 -0.697,456 -1.043,458 -1.83,459 -0.679,460 0.55,461 -0.82,462 2.117,463 0.074,464 -0.922,465 -1.315,467 -2.321,468 -0.916,469 10.533,470 0.479,471 0.483,472 0.022,473 33.5,474 1.523,475 20,476 0.909,477 13.5,478 0.614,479 13.444,480 0.611,481 21.267,482 0.608,483 22.254,484 1.012,485 6.715,486 0.305,487 4.06,488 0.185,489 0.079,491 0.38,496 0.379,497 0.781,498 0.669,499 0.761,500 0.408,501 0.755,502 0.522,503 1.022,504 0.721,505 0.905,506 0.417,507 0.85,508 0.679,509 1.29,510 0.869,511 1.126,512 0.555,513 1.041,514 1.012,515 1.234,516 0.99,517 1.122,518 0.858,519 1.058,520 1.429,521 0.927,522 1.013,523 0.83,524 1.354,525 0.848,526 1.5,527 0.898,528 1.082,529 0.877,530 1.603,531 0.916,532 1.243,533 0.898,534 1.103,535 0.951,536 1.132,537 0.989,538 1.451,539 0.864,540 1.266,541 1.046,542 1.529,543 1.118,544 3.5,545 0.038,546 2.889,547 2.049,548 0.893,549 0.851,550 0.559,551 0.194,552 0.125,553 0.121,554 4881,555 12697,556 2.176,557 37.1,558 3,559 9,562 1,567 1.647,568 2.063,569 3.086,570 -0.354,575 51.606,576 1.474,577 3.227,578 3.95,579 4.593,580 4.708,581 4.765,582 2.556,583 3.914,584 4.429,585 3.198,586 738.674,587 7.622,588 7758.78,590 1,593 179.525,594 1.322,595 4.403,596 0.14,597 0.008,598 0.08,599 0.054,600 0.027,601 0.032,602 0.025,603 0.011,604 0.008,605 0.012,606 0.397,607 0.67,608 1,609 0.72,610 99.155,611 0.274,612 0.236,613 0.054,614 0.12,615 0.105,616 0.064,617 0.002,618 -0.053,619 0.055,620 0.017,621 -0.014,622 0.037,623 0.015,624 -0.308,625 -0.014,626 -0.199,627 0.004,628 -0.131,629 0.004,630 -0.212,631 -0.016,632 -0.185,633 0.029,634 -0.118,635 -0.025,636 0.138,637 0.051,638 0.114,639 -0.018,640 0.101,641 -0.094,642 0.102,643 -0.059,644 0.086,645 -0.064,646 0.032,647 -0.191,648 0.094,649 -0.136,650 0.009,651 -0.061,652 -0.036,653 -0.268,654 0.083,655 -0.3,656 -0.07,657 -0.167,658 -0.162,659 1.197,660 4.304,661 0.864,662 16,663 1.001,664 1.108,665 3.317,666 11.005,667 0.722,668 3.258,669 3.611,670 3.97,671 4.304,672 4.595,673 4.71,674 4.883,675 5.037,676 5.081,677 5.165,678 5.054,679 0.698,680 287.34,681 3.258,682 4.812,683 5.7,684 6.608,685 7.518,686 8.435,687 9.353,688 10.276,689 11.198,690 12.123,691 8.6,699 1,701 1,704 1,708 4,709 9,710 1,711 1,714 4,716 21,730 1,738 35,739 22,740 2,741 25,743 38,744 18,745 17,746 4,747 8,752 4,753 7,759 1,768 17,769 1,772 1,778 1,781 1,789 13,790 3,791 1,792 4,797 3,803 0.5,804 1,815 1,822 1,823 3,826 2,855 2,859 1,862 22,886 2.9,889 1,893 10.667,894 6.817,895 4.833,896 2.093,898 4.3,899 1.578,900 1.06,901 2.849,902 11.741,903 3.624,904 4.327,905 5.075,906 5.808,907 6.475,908 6.938,909 7.497,910 8.028,911 8.393,912 8.849,913 0.833,914 38,915 8.068,917 3.502,918 7.72,919 15.433,921 12.997,924 2.22,925 48.833,929 141.253,930 115.859,931 52.61,933 25.373,936 115.859,937 166.627,938 52.61,939 8.825,941 85.286,942 42.036,943 36.267,944 21.428,945 141.253,947 141.253,948 168.469,949 25.373,952 141.253,953 25.373,956 28.245,957 104.277,958 35.947,960 141.253,961 77.983,962 115.859,965 141.253,966 21.748,967 94.111,968 16.663,969 61.32,970 141.253,971 77.983,972 115.859,973 0.582,974 0.359,975 0.208,976 0.121,977 20,978 8,979 0.053,980 2,981 2,982 1.211,983 3.416,984 186.028,985 0.211,986 19,987 94.107,993 12.875,994 4.868,995 1.971,996 3.476,997 61.32,998 17.78,999 4.436,1000 3.081,1003 3.472,1005 16.663,1006 335.095,1007 36.5,1013 11.304,1016 3.238,1020 35.051,1021 38.78,1022 0.287,1023 0.629,1024 0.77,1025 0.896,1026 0.918,1027 0.929,1028 4.846,1029 1.053,1030 5.694,1031 3.114,1032 4.29,1033 5.014,1034 0.956,1035 6.567,1036 4.265,1037 6.093,1038 1,1039 7.286,1040 2.685,1041 3.892,1042 4.913,1044 7.591,1045 3.854,1046 7.429,1047 1,1048 8.981,1049 2.275,1050 5.932,1051 7.396,1052 0.824,1053 10.749,1054 5.884,1055 8.81,1056 0.221,1057 10.74,1058 2.258,1059 6.399,1060 8.193,1062 12.65,1063 6.337,1064 10.227,1065 -0.131,1066 12.54,1067 0.377,1068 7.899,1069 10.117,1070 0.705,1071 15.339,1072 7.827,1073 11.674,1074 -0.555,1075 14.368,1076 -0.283,1077 8.768,1078 11.347,1080 17.599,1081 8.682,1082 13.143,1083 -0.697,1084 16.217,1085 -1.288,1086 10.064,1087 13.054,1088 0.598,1089 20.145,1090 9.967,1091 3.354,1092 -0.922,1093 18.083,1094 -1.83,1095 11.118,1096 14.488,1098 22.549,1099 11.008,1100 2.84,1101 12.153,1102 19.963,1103 -2.321,1104 12.341,1105 16.115,1106 0.504,1107 25.055,1108 12.219,1109 2.355,1110 9.124,1111 21.853,1112 4.937,1113 13.476,1114 17.64,1116 27.515,1117 13.342,1118 2.178,1119 7.283,1120 23.752,1121 3.875,1122 14.678,1123 19.241,1124 0.422,1125 30.011,1126 14.531,1127 2.123,1128 7.258,1129 25.66,1130 3.41,1131 15.85,1132 20.805,1134 32.492,1135 15.69,1136 1.47,1137 6.053,1138 27.574,1139 3.084,1140 17.047,1141 22.399,1142 0.35,1143 34.987,1144 16.876,1145 1.331,1146 3.986,1147 29.493,1148 2.966,1149 18.236,1150 23.981,1152 37.477,1153 18.051,1154 4616,1155 7573,1156 17.107,1157 25.279,1158 38.489,1159 39.218,1160 39.524,1161 37.855,1162 37.85,1163 54.601,1164 1.789,1165 113.13,1166 37.362,1167 5.463,1168 5.415,1169 6.729,1170 5.381,1171 5.354,1172 7.937,1173 1.789,1174 19.4,1175 5.312,1176 8.325,1177 1.54,1178 1.569,1179 1.581,1180 1.514,1181 1.514,1182 2.184,1183 0.072,1184 4.525,1185 1.494,1186 4.215,1187 4.24,1188 4.193,1189 4.151,1190 7.529,1191 4.158,1192 3.919,1193 3.946,1194 3.859,1195 3.87,1196 5.088,1197 3.864,1198 3.633,1199 3.684,1200 3.562,1201 3.526,1202 4.751,1203 3.528,1204 3.278,1205 3.326,1206 3.233,1207 3.125,1208 4.607,1209 3.125,1210 3.159,1211 3.234,1212 3.038,1213 2.942,1214 4.067,1215 2.964,1216 2.905,1217 2.971,1218 2.742,1219 2.777,1220 3.917,1221 2.76,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.687,1227 2.715,1228 2.759,1229 2.843,1230 2.671,1231 2.518,1232 3.674,1233 2.544,1234 0.193,1235 0.137,1236 0.282,1237 0.174,1238 0.134,1239 4.829,1240 0.197,1241 3.415,1242 0.036,1243 7.05,1244 0.486,1245 4.342,1246 0.132,1247 3.354,1248 4.937,1249 0.894,1250 12.153,1251 3.312,1252 1.991,1253 1.964,1254 2.076,1255 2.103,1256 1.195,1257 2.091,1258 1.932,1259 1.912,1260 2.028,1261 1.997,1262 1.155,1263 2.008,1264 1.776,1265 1.746,1266 1.864,1267 1.897,1268 0.995,1269 1.894,1270 1.237,1271 1.183,1272 1.52,1273 1.437,1274 0.614,1275 1.454,1276 1.128,1277 1.076,1278 1.269,1279 1.379,1280 0.347,1281 1.35,1282 0.916,1283 0.852,1284 1.181,1285 1.084,1286 0.246,1287 1.113,1288 0.886,1289 0.821,1290 1.164,1291 1.062,1292 0.218,1293 1.107,1294 0.679,1295 0.615,1296 0.934,1297 0.983,1298 0.029,1299 0.96,1300 3.932,1302 5.273,1303 2.398,1304 6.832,1305 4.949,1306 8.485,1307 7.235,1308 10.188,1310 2.046,1326 24.413,1327 51.606,1328 112.956,1329 138.241,1330 160.77,1331 164.77,1332 166.77,1333 27.535,1334 7.442,1335 58.11,1336 58.11,1337 23,1338 12.629,1339 4.524,1340 3.644,1341 29.845,1342 67,1343 74,1344 0.228,1345 148.964,1346 242.31,1347 355.233,1348 15729,1350 15.104,1351 0.687,1352 0.545,1353 15.104,1354 11.999,1355 10.775,1356 0.431,1357 0.283,1358 7.023,1359 10.487,1360 6.824,1361 5.684,1362 10.775,1363 7.079,1364 9.605,1365 0.267,1366 0.15,1367 9.605,1368 5.393,1369 8.719,1370 0.168,1371 0.077,1372 8.719,1373 3.984,1374 7.647,1375 0.105,1376 0.039,1377 7.647,1378 2.833,1379 6.64,1380 0.068,1381 0.021,1382 6.64,1383 2.02,1384 0.346,1385 66.824,1386 0.242,1387 21.257,1388 0.663,1389 122,1390 333.359,1391 128.268,1392 334.588,1393 467.65,1394 312,1395 149,1396 360.838,1397 156.351,1398 368.829,1399 536.19,1400 347,1401 5.306}
{0 CHEMBL1543839,1 2.007,2 8.75,3 2.789,4 7.78,5 75.671,6 12.354,7 0.286,8 3.451,9 3.505,10 3.422,11 3.066,12 4.791,13 3.083,14 3.919,15 3.998,16 3.844,17 3.412,18 5.356,19 3.417,20 4.115,21 4.203,22 4.152,23 3.507,24 5.698,25 3.503,26 4.051,27 4.132,28 3.875,29 3.207,30 5.753,31 3.241,32 3.764,33 3.874,34 3.39,35 2.966,36 5.23,37 2.979,38 3.651,39 3.754,40 3.391,41 2.948,42 5.285,43 2.949,44 3.561,45 3.685,46 3.484,47 2.979,48 5.11,49 2.98,50 3.51,51 3.599,52 3.566,53 3.011,54 5.2,55 2.981,56 0.224,57 0.355,58 0.428,59 1.833,60 20.165,61 1.629,62 0.507,63 0.53,64 2.662,65 3.187,66 38.274,67 2.516,68 0.67,69 0.568,70 12.339,71 4.491,72 65.951,73 3.831,74 0.87,75 0.467,76 11.931,77 4.634,78 93.785,79 3.371,80 0.595,81 0.382,82 10.858,83 3.609,84 62.368,85 2.859,86 0.51,87 0.354,88 10.986,89 3.056,90 62.95,91 2.506,92 0.371,93 0.353,94 5.439,95 2.572,96 42.663,97 2.314,98 0.38,99 0.301,100 4.094,101 2.489,102 43.029,103 2.063,104 26,105 29,106 0.391,107 0.708,108 0.826,109 0.898,110 0.913,111 0.913,112 3.057,113 0.924,114 -4.6,115 -4.53,116 -4.26,120 44.4,127 1,139 2,143 4,144 1,145 1,155 1,159 2,167 1,174 4,176 3,177 2,185 6,188 2,189 5,197 5,200 2,201 10,209 1,213 1,214 5,226 1,227 6,240 6,247 1,252 5,260 2,264 1,271 4,274 446,275 13.035,276 13.035,277 13.035,278 13.035,279 13.035,280 11.528,281 10.197,282 7.552,283 13.533,284 10.253,285 10.253,286 10.253,287 10.253,288 10.253,289 7.96,290 8.167,291 3.504,292 11.21,293 2.747,294 1.125,295 0.519,296 0.148,297 0.074,298 0.074,299 3.709,303 3,306 1,307 1,308 360,309 2.828,313 141.667,320 1.2,321 32.885,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 45,333 175,334 4.388,335 3.816,336 6.509,337 3.983,338 3.055,339 3.917,340 1.707,341 9.914,342 2.829,343 4.308,344 3.693,345 6.384,346 3.903,347 2.945,348 3.817,349 1.073,350 9.614,351 2.783,352 3.536,353 2.986,354 5.521,355 3.144,356 2.274,357 2.7,358 0.451,359 6.869,360 1.904,361 3.383,362 2.924,363 4.899,364 2.925,365 1.991,366 2.566,368 5.311,369 1.79,370 3.087,371 2.444,372 4.528,373 2.592,374 1.656,375 2.123,377 4.341,378 1.51,379 2.861,380 1.963,381 3.855,382 2.352,383 1.414,384 2.016,386 3.112,387 1.257,388 2.592,389 1.675,390 3.584,391 2.112,392 1.157,393 1.588,395 2.782,396 1.09,397 2.128,398 1.582,399 3.22,400 1.584,401 0.645,402 0.844,404 1.478,405 0.577,406 1.562,407 1.315,408 2.789,409 1.072,410 0.286,411 0.333,413 0.619,414 0.165,415 1.293,416 1.001,417 2.62,418 0.775,419 -0.063,420 -0.079,422 -0.143,423 -0.049,424 1.092,425 0.409,426 2.142,427 0.57,428 -0.299,429 -0.385,431 -0.638,432 -0.21,433 0.631,434 -0.033,435 2,436 0.14,437 -0.848,438 -1.056,440 -2.015,441 -0.697,442 0.202,443 -0.25,444 1.681,445 -0.109,446 -1,447 -1.244,449 -2.579,450 -0.825,452 -0.691,453 1.535,454 -0.305,455 -1.228,456 -1.552,458 -2.995,459 -0.962,461 -0.854,462 1.396,463 -0.564,464 -1.405,465 -1.617,467 -3.459,468 -1.141,469 9.943,470 0.497,471 0.583,472 0.029,473 25,474 1.25,475 12,476 0.6,477 13,478 0.65,479 14.561,480 0.728,481 21.257,482 0.787,483 18.071,484 0.904,485 5.326,486 0.266,487 4.177,488 0.209,489 0.283,491 0.342,496 0.685,497 1.193,498 0.468,499 0.77,500 0.588,501 0.73,502 0.824,503 1.057,504 0.628,505 0.618,506 0.684,507 0.711,508 0.864,509 1.107,510 0.844,511 1.05,512 0.848,513 0.975,514 1.218,515 1.036,516 1.05,517 1.278,518 1.452,519 1.204,520 1.413,521 0.997,522 1.027,523 1.04,524 1.381,525 1.068,526 1.018,527 1.059,528 1.185,529 1.2,530 1.01,531 1.136,532 0.78,533 0.961,534 0.639,535 0.713,536 0.923,537 0.663,538 0.814,539 0.826,540 0.879,541 0.788,542 0.904,543 0.773,544 4,545 0.037,546 3.333,547 1.75,548 1.027,549 0.465,550 0.345,551 0.278,552 0.189,553 0.132,554 3581,555 17988,556 1.938,557 25.9,559 4,560 2,561 1,567 1.615,568 1.765,569 3.115,570 -0.59,574 1,575 54.201,576 2.007,577 3.63,578 4.236,579 4.607,580 4.681,581 4.681,582 2.461,583 3.784,584 4.3,585 3.233,586 614.348,587 7.33,588 6398.94,589 1,590 1,592 1,593 128.382,594 1.559,595 4.219,596 0.19,597 0.007,598 0.115,599 0.056,600 0.045,601 0.027,602 0.02,603 0.015,604 0.011,605 0.012,606 0.5,607 0.17,608 1,609 0.716,610 89.077,611 -0.04,612 -0.084,614 -0.065,615 -0.055,616 -0.043,617 -0.005,618 0.042,619 -0.001,620 0.189,621 -0.024,622 0.07,623 0.073,624 -0.109,625 0.103,626 -0.122,627 0.049,628 -0.065,629 0.036,630 -0.145,631 -0.088,632 -0.262,633 -0.074,634 -0.241,635 -0.274,636 -0.081,637 -0.157,638 -0.033,639 -0.244,640 -0.043,641 -0.019,642 -0.078,643 -0.238,644 -0.238,645 0.086,646 -0.169,647 0.041,648 0.098,649 0.181,650 0.199,651 0.054,652 0.321,653 0.073,654 0.142,655 0.113,656 0.165,657 0.137,658 0.182,659 2.338,660 4.793,661 0.6,662 12.73,663 1.063,664 1.115,665 3.375,666 11.388,667 0.778,668 3.091,669 3.401,670 3.638,671 3.738,672 3.829,673 3.714,674 3.638,675 3.638,676 3.638,677 3.638,678 5.283,679 0.77,680 333.56,681 3.091,682 4.615,683 5.451,684 6.304,685 7.152,686 8.007,687 8.858,688 9.713,689 10.565,690 11.421,691 7.4,698 1,700 1,709 4,714 2,716 6,726 1,737 1,738 27,739 10,740 1,741 21,743 28,744 12,745 6,746 2,747 4,748 5,749 2,752 2,753 2,754 3,755 1,768 11,769 1,771 2,772 4,778 2,780 1,781 1,782 4,786 1,789 7,790 5,792 8,793 3,797 2,803 1,804 3,823 2,845 2,855 2,860 3,862 20,869 1,872 1,875 1,885 3,886 11.1,889 2,891 1,893 11.333,894 4.995,895 4.472,896 1.405,898 1.827,899 1.296,900 0.941,901 4.91,902 7.997,903 3.367,904 3.902,905 4.404,906 4.77,907 5.1,908 5.04,909 5.031,910 5.06,911 5.203,912 5.494,913 0.833,914 31,915 7.346,917 3.138,918 8.317,919 13.054,921 10.067,924 2.817,925 56.333,929 82.398,930 76.699,931 19.665,932 117.446,933 61.29,936 76.699,937 261.133,938 19.665,940 7.165,941 37.905,942 90.006,943 34.349,944 23.542,945 47.084,946 117.446,947 82.398,948 96.364,949 61.29,950 117.446,952 82.398,953 61.29,956 23.828,957 56.487,958 133.495,960 82.398,961 80.955,962 194.145,965 82.398,966 29.747,967 49.954,969 195.399,970 82.398,971 80.955,972 194.145,973 0.589,974 0.356,975 0.167,976 0.078,977 13,978 7,979 0.143,980 4,982 1,983 3.159,984 140.969,986 12,987 86.439,993 15.161,994 6.478,995 3.465,997 80.955,998 6.396,1003 0.453,1006 357.498,1007 28,1013 23.465,1015 1.189,1016 3.704,1017 -1.47,1020 28.691,1021 30.118,1022 0.422,1023 0.763,1024 0.891,1025 0.969,1026 0.984,1027 0.984,1028 4.6,1029 0.645,1030 5.451,1031 2.782,1032 4.078,1033 4.585,1034 2.255,1035 6.252,1036 3.904,1037 5.812,1038 0.286,1039 7.027,1040 1.478,1041 3.761,1042 4.407,1044 7.186,1045 3.444,1046 7.122,1047 -0.063,1048 8.707,1049 0.619,1050 5.673,1051 6.702,1052 3.03,1053 10.256,1054 5.37,1055 8.467,1056 -0.299,1057 10.444,1058 -0.143,1059 6.155,1060 7.316,1062 11.972,1063 5.716,1064 9.842,1065 -0.848,1066 12.216,1067 -0.638,1068 7.569,1069 9.109,1070 3.98,1071 14.574,1072 7.139,1073 11.24,1074 -1,1075 14.012,1076 -2.015,1077 8.398,1078 10.088,1080 16.599,1081 7.855,1082 12.653,1083 -1.228,1084 15.823,1085 -2.579,1086 9.625,1087 11.668,1088 5.001,1089 19.026,1090 9.065,1091 3.055,1092 -1.405,1093 17.647,1094 -2.995,1095 10.607,1096 12.826,1098 21.187,1099 9.952,1100 2.945,1101 9.914,1102 19.479,1103 -3.459,1104 11.758,1105 14.303,1106 6.051,1107 23.538,1108 11.067,1109 2.274,1110 9.614,1111 21.318,1112 3.917,1113 12.807,1114 15.551,1116 25.76,1117 12.032,1118 1.991,1119 6.869,1120 23.162,1121 3.817,1122 13.93,1123 16.974,1124 7.112,1125 28.076,1126 13.103,1127 1.656,1128 5.311,1129 25.009,1130 2.7,1131 15.008,1132 18.27,1134 30.329,1135 14.104,1136 1.414,1137 4.341,1138 26.86,1139 2.566,1140 16.119,1141 19.664,1142 8.179,1143 32.628,1144 15.155,1145 1.157,1146 3.112,1147 28.714,1148 2.123,1149 17.211,1150 20.986,1152 34.895,1153 16.173,1154 3658,1155 8325,1156 13.235,1157 20.994,1158 31.691,1159 34.515,1160 32.863,1161 31.133,1162 30.845,1163 39.806,1164 6.461,1165 88.08,1166 27.812,1167 5.307,1168 5.816,1169 6.194,1170 5.062,1171 5.055,1172 6.917,1173 3.413,1174 17.043,1175 4.829,1176 11.937,1177 1.509,1178 1.644,1179 1.565,1180 1.483,1181 1.469,1182 1.896,1183 0.308,1184 4.194,1185 1.324,1186 3.931,1187 3.946,1188 4.098,1189 3.864,1190 7.434,1191 3.86,1192 3.825,1193 3.852,1194 4.014,1195 3.684,1196 7.427,1197 3.697,1198 3.376,1199 3.379,1200 3.454,1201 3.121,1202 5.007,1203 3.162,1204 3.047,1205 3.075,1206 3.363,1207 2.864,1208 4.917,1209 2.874,1210 2.942,1211 2.965,1212 3.295,1213 2.792,1214 4.54,1215 2.767,1216 2.878,1217 2.922,1218 3.168,1219 2.702,1220 4.432,1221 2.732,1222 2.617,1223 2.635,1224 2.762,1225 2.366,1226 4.339,1227 2.399,1228 2.453,1229 2.474,1230 2.666,1231 2.168,1232 4.232,1233 2.19,1234 0.209,1235 0.182,1236 0.31,1237 0.19,1238 0.145,1239 4.388,1240 0.187,1241 3.816,1242 0.081,1243 6.509,1244 0.472,1245 3.983,1246 0.135,1247 3.055,1248 3.917,1249 1.707,1250 9.914,1251 2.829,1252 1.891,1253 1.875,1254 1.976,1255 1.98,1256 1.068,1257 1.98,1258 1.704,1259 1.684,1260 1.725,1261 1.9,1262 0.834,1263 1.866,1264 1.236,1265 1.221,1266 1.402,1267 1.507,1268 0.561,1269 1.474,1270 0.97,1271 0.928,1272 1.171,1273 1.181,1274 0.228,1275 1.173,1276 0.867,1277 0.824,1278 1.06,1279 1.075,1280 0.145,1281 1.057,1282 0.797,1283 0.769,1284 0.91,1285 1.015,1287 1.029,1288 0.438,1289 0.427,1290 0.57,1291 0.71,1293 0.69,1294 0.292,1295 0.266,1296 0.338,1297 0.607,1299 0.587,1300 3.761,1302 5.069,1304 6.581,1306 8.182,1308 9.824,1311 17.16,1315 -0.389,1318 4.946,1321 0.878,1326 20.777,1327 54.201,1328 98.017,1329 114.382,1330 124.382,1331 126.382,1332 126.382,1333 46.674,1334 6.17,1335 61.19,1336 61.19,1337 12,1338 11.975,1339 3.459,1340 3,1341 36.542,1342 65,1343 50,1344 0.285,1345 141.176,1346 256.06,1347 336.229,1348 3258,1349 11.1,1350 14.698,1351 0.735,1352 0.606,1353 16.198,1354 12.115,1355 9.503,1356 0.453,1357 0.308,1358 5.321,1359 8.256,1360 5.139,1361 4.216,1362 10.369,1363 6.466,1364 8.513,1365 0.294,1366 0.167,1367 9.588,1368 4.844,1369 7.365,1370 0.199,1371 0.093,1372 8.761,1373 3.432,1374 5.239,1375 0.128,1376 0.045,1377 6.043,1378 1.845,1379 3.671,1380 0.082,1381 0.024,1382 4.18,1383 1.073,1384 0.445,1385 69.636,1386 0.275,1387 19.964,1388 0.784,1389 100,1390 427.107,1391 158.886,1392 489.986,1393 614.92,1394 450,1395 116,1396 363.13,1397 171.214,1398 392.046,1399 575.1,1400 365,1401 5.7}
{0 CHEMBL1544131,1 1.833,2 6.938,3 2.869,4 8.233,5 70.895,6 14.334,7 0.353,8 3.297,9 3.385,10 3.439,11 3.007,12 4.5,13 2.957,14 3.755,15 3.88,16 3.928,17 3.377,18 4.954,19 3.306,20 3.957,21 4.082,22 4.668,23 3.512,24 5.31,25 3.407,26 3.903,27 4.095,28 3.91,29 3.25,30 5.164,31 3.157,32 3.686,33 3.884,34 3.54,35 3.077,36 4.886,37 2.956,38 3.416,39 3.567,40 3.623,41 2.982,42 4.595,43 2.805,44 3.176,45 3.342,46 3.344,47 2.746,48 4.286,49 2.506,50 2.827,51 2.969,52 2.854,53 2.3,54 3.987,55 2.037,56 0.06,57 0.315,58 4.247,59 1.644,60 2.809,61 1.914,62 0.139,63 0.494,64 11.002,65 3.163,66 9.059,67 3.461,68 0.281,69 0.579,70 45.688,71 5.086,72 19.775,73 4.103,74 0.258,75 0.55,76 21.96,77 4.903,78 18.659,79 4.825,80 0.198,81 0.428,82 16.224,83 3.959,84 26.084,85 4.155,86 0.158,87 0.306,88 21.134,89 3.364,90 15.691,91 2.9,92 0.122,93 0.227,94 31.373,95 3.388,96 9.92,97 2.879,98 0.116,99 0.142,100 16.227,101 2.217,102 16.715,103 1.766,104 17,105 24,106 0.37,107 0.687,108 0.768,109 0.818,110 0.818,111 0.818,112 2.854,113 1.091,114 -4.81,115 -4.72,116 -4.43,118 2,120 45.8,121 1,139 2,143 4,144 1,145 1,155 1,159 1,167 1,174 5,176 1,177 2,185 6,188 1,189 7,197 5,201 8,214 4,222 2,227 2,235 4,240 1,247 3,260 2,271 1,274 252,275 10.414,276 10.414,277 10.414,278 10.414,279 10.414,280 9.051,281 11.827,282 5.955,283 10.743,284 8.302,285 8.302,286 8.302,287 8.302,288 8.302,289 6.283,290 14.242,291 2.784,292 9.013,293 2.752,294 1.182,295 0.781,296 0.531,297 0.531,298 0.531,299 3.497,306 1,307 1,308 228,309 1.732,313 98.873,320 0.953,321 13.855,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 33.5,333 111,334 4.442,335 3.819,336 6.669,337 4.068,338 3.132,339 3.895,340 1.058,341 10.56,342 2.923,343 4.029,344 2.996,345 5.937,346 3.556,347 2.622,348 3.585,350 8.103,351 2.453,352 3.596,353 2.755,354 5.116,355 3.201,356 2.259,357 2.874,359 6.145,360 2.04,361 3.189,362 2.444,363 4.834,364 2.718,365 1.775,366 2.295,368 4.999,369 1.561,370 2.901,371 1.986,372 4.251,373 2.346,374 1.414,375 1.913,377 3.74,378 1.268,379 2.5,380 1.602,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 1.708,389 1,390 2.948,391 1.163,392 0.294,393 0.35,395 0.644,396 0.165,397 1.491,398 0.895,399 2.764,400 0.917,401 0.128,402 0.17,404 0.289,405 0.09,406 0.952,407 0.027,408 2.215,409 0.547,410 -0.389,411 -0.482,413 -0.879,414 -0.336,415 0.5,416 -0.277,417 2,419 -1,420 -1.225,422 -2.794,423 -0.654,425 -0.785,426 1.602,427 -0.253,428 -1.127,429 -1.5,431 -3,432 -0.995,434 -1,435 1.535,436 -0.33,437 -1.279,438 -1.566,440 -3.089,441 -1,442 -0.042,443 -1.081,444 1.347,445 -0.625,446 -1.414,447 -1.685,449 -3.796,450 -1.316,451 -0.248,452 -1.145,453 1.198,454 -0.801,455 -1.521,456 -2.129,458 -4.527,459 -1.486,460 -0.5,461 -1.66,462 0.864,463 -0.972,464 -1.894,465 -2.285,467 -5.275,468 -1.777,469 9.3,470 0.581,471 0.494,472 0.031,473 20.5,474 1.281,475 11,476 0.688,477 9.5,478 0.594,479 13.878,480 0.867,481 15.3,482 0.638,483 10.048,484 0.628,485 3.688,486 0.23,487 3.904,488 0.244,489 0.376,491 0.312,496 0.533,497 1.021,498 0.466,499 0.594,500 0.54,501 0.693,502 0.642,503 1.159,504 0.573,505 0.62,506 0.608,507 0.689,508 0.754,509 1.255,510 0.733,511 0.964,512 0.796,513 0.953,514 0.789,515 1.068,516 0.638,517 0.919,518 0.858,519 0.937,520 1.213,521 0.78,522 0.487,523 0.55,524 1.515,525 0.727,526 1.452,527 0.78,528 1.338,529 1.036,530 1.378,531 1.046,532 1.277,533 0.772,534 2.073,535 1.624,536 0.8,537 1.409,538 2.088,539 0.938,540 1.763,541 1.512,542 2.621,543 1.619,544 3.5,546 2.667,547 1.25,548 0.987,549 0.5,550 0.343,551 0.122,552 0.066,554 1753,555 7017,556 1.958,557 33.3,558 3,559 4,561 1,567 1.553,568 1.778,569 2.807,570 -0.673,574 1,575 43.985,576 1.833,577 3.403,578 3.804,579 4.054,580 4.054,581 4.054,582 2.227,583 3.203,584 3.973,585 2.853,586 342.383,587 6.697,588 2879.62,589 1,590 1,592 1,593 110.039,594 1.561,595 3.895,596 0.206,598 0.111,599 0.05,600 0.055,601 0.036,602 0.031,603 0.017,604 0.022,606 0.528,607 0.67,608 1,609 0.75,610 63.45,611 0.064,612 0.01,614 -0.011,615 -0.058,616 -0.019,617 0.092,618 -0.124,619 0.021,620 0.084,621 0.015,622 0.094,623 0.248,624 -0.225,625 0.205,626 -0.072,627 0.136,628 -0.108,629 0.179,630 -0.076,631 0.051,632 -0.066,633 0.147,634 0.041,635 -0.138,636 0.149,637 0.08,638 0.285,639 -0.132,640 0.281,641 -0.367,642 0.147,643 -0.15,644 0.057,645 -0.234,646 -0.043,647 -0.341,648 0.112,649 -0.366,650 -0.257,651 -0.08,652 -0.254,653 -0.626,654 -0.177,655 -0.301,656 -0.221,657 -0.687,658 -0.504,659 1.849,660 4.899,661 0.75,662 8.5,663 1.022,664 1.106,665 3.576,666 12.786,667 0.801,668 2.89,669 3.219,670 3.466,671 3.611,672 3.807,673 3.761,674 3.689,675 3.555,676 3.434,677 3.135,678 4.07,679 0.746,680 344.01,681 2.89,682 4.419,683 5.263,684 6.129,685 6.991,686 7.862,687 8.73,688 9.603,689 10.473,690 11.347,691 8.3,698 1,700 1,709 4,714 2,716 6,738 24,739 9,740 1,741 17,742 2,743 25,744 11,745 6,746 2,747 4,748 4,749 2,752 2,753 2,755 1,759 1,768 10,769 1,771 2,772 3,778 1,780 1,781 1,782 3,786 1,789 8,790 3,792 5,793 2,797 2,803 1,804 1,823 2,845 2,855 2,858 2,859 1,862 16,875 1,885 2,886 4.2,889 1,893 9,894 4.769,895 3.528,896 1.334,898 1.928,899 1.33,900 0.981,901 3.38,902 7.781,903 3.178,904 3.75,905 4.266,906 4.708,907 5.174,908 5.275,909 5.515,910 5.726,911 5.894,912 6.015,913 0.8,914 25,915 5.866,917 2.427,918 7.865,919 10.984,921 8.625,924 2.365,925 37.833,926 0.002,929 94.169,930 72.535,931 111.573,933 25.145,936 164.443,937 119.314,938 19.665,939 8.825,940 3.002,941 37.905,942 56.778,943 22.605,945 82.398,946 91.908,947 94.169,948 92.2,949 25.145,951 91.908,952 94.169,953 25.145,956 28.49,957 48.552,958 15.158,959 91.908,960 94.169,961 44.81,962 164.443,965 94.169,966 16.757,967 58.779,968 91.908,969 41.808,970 94.169,971 44.81,972 164.443,973 0.594,974 0.354,975 0.167,976 0.091,977 12,978 6,979 0.04,980 1,982 1,983 2.737,984 106.739,986 12,987 60,993 11.711,994 4.618,995 2.344,997 44.81,998 7.618,1003 1.9,1006 303.422,1007 23,1013 11.899,1015 1.589,1016 4.066,1017 0.946,1020 24.524,1021 26.55,1022 0.4,1023 0.742,1024 0.83,1025 0.884,1026 0.884,1027 0.884,1028 4.413,1029 0.128,1030 5.273,1031 0.644,1032 3.892,1033 4.431,1034 1.176,1035 6.089,1036 3.742,1037 5.639,1038 -0.389,1039 6.855,1040 0.289,1041 3.611,1042 4.248,1044 7.04,1045 3.308,1046 6.956,1047 -1,1048 8.538,1049 -0.879,1050 5.501,1051 6.573,1052 1.255,1053 10.123,1054 5.232,1055 8.306,1056 -1.127,1057 10.277,1058 -2.794,1059 5.994,1060 7.135,1062 11.863,1063 5.568,1064 9.683,1065 -1.279,1066 12.051,1067 -3,1068 7.405,1069 8.962,1070 1.338,1071 14.501,1072 7.004,1073 11.08,1074 -1.414,1075 13.849,1076 -3.089,1077 8.241,1078 9.874,1080 16.572,1081 7.707,1082 12.492,1083 -1.521,1084 15.665,1085 -3.796,1086 9.474,1087 11.48,1088 1.422,1089 19.046,1090 8.933,1091 3.132,1092 -1.894,1093 17.495,1094 -4.527,1095 10.468,1096 12.576,1098 21.266,1099 9.818,1100 2.622,1101 10.56,1102 19.337,1103 -5.275,1104 11.633,1105 14.067,1106 1.51,1107 23.673,1108 10.95,1109 2.259,1110 8.103,1111 21.187,1112 3.895,1113 12.7,1114 15.266,1116 25.964,1117 11.926,1118 1.775,1119 6.145,1120 23.044,1121 3.585,1122 13.841,1123 16.694,1124 1.599,1125 28.341,1126 13.018,1127 1.414,1128 4.999,1129 24.907,1130 2.874,1131 14.943,1132 17.953,1134 30.665,1135 14.039,1136 1,1137 3.74,1138 26.775,1139 2.295,1140 16.077,1141 19.345,1142 1.69,1143 33.031,1144 15.115,1145 0.294,1146 2.275,1147 28.647,1148 1.913,1149 17.197,1150 20.64,1152 35.371,1153 16.159,1154 1838,1155 3812,1156 10.751,1157 19.216,1158 26.064,1159 27.709,1160 26.807,1161 25.35,1162 25.249,1163 33.167,1164 2.117,1165 73.511,1166 22.999,1167 5.27,1168 5.819,1169 6.083,1170 5.104,1171 5.132,1172 6.895,1173 2.117,1174 17.907,1175 4.923,1176 8.991,1177 1.533,1178 1.63,1179 1.577,1180 1.491,1181 1.485,1182 1.951,1183 0.125,1184 4.324,1185 1.353,1186 3.963,1187 3.995,1188 6.934,1189 3.882,1190 7.428,1191 3.879,1192 3.734,1193 3.755,1194 6.823,1195 3.694,1196 4.823,1197 3.658,1198 3.18,1199 3.251,1200 3.883,1201 3.053,1202 4.624,1203 3.034,1204 2.949,1205 2.966,1206 3.518,1207 2.756,1208 4.007,1209 2.753,1210 2.854,1211 2.925,1212 2.946,1213 2.735,1214 3.822,1215 2.715,1216 2.761,1217 2.815,1218 2.847,1219 2.595,1220 3.674,1221 2.565,1222 2.358,1223 2.421,1224 2.687,1225 2.19,1226 3.323,1227 2.152,1228 1.724,1229 1.802,1230 2.309,1231 2.04,1232 3.091,1233 1.733,1234 0.261,1235 0.225,1236 0.392,1237 0.239,1238 0.184,1239 4.442,1240 0.229,1241 3.819,1242 0.062,1243 6.669,1244 0.621,1245 4.068,1246 0.172,1247 3.132,1248 3.895,1249 1.058,1250 10.56,1251 2.923,1252 1.924,1253 1.895,1254 2.036,1255 2.029,1256 1.138,1257 2.03,1258 1.661,1259 1.647,1260 1.643,1261 1.793,1262 0.795,1263 1.781,1264 1.193,1265 1.123,1266 1.483,1267 1.385,1268 0.589,1269 1.433,1270 0.886,1271 0.821,1272 1.181,1273 1.084,1274 0.218,1275 1.107,1276 0.809,1277 0.786,1278 0.937,1279 1.062,1281 1.039,1282 0.652,1283 0.589,1284 0.801,1285 0.842,1287 0.862,1288 0.314,1289 0.261,1290 0.381,1291 0.534,1293 0.562,1296 0.329,1297 0.133,1299 0.23,1300 3.555,1302 4.875,1304 6.405,1306 8.026,1308 9.69,1309 6.463,1310 1.998,1321 1.355,1326 17.915,1327 43.985,1328 81.675,1329 91.284,1330 97.284,1331 97.284,1332 97.284,1333 23.427,1334 5.852,1335 34.89,1336 34.89,1337 12,1338 11.888,1339 3.322,1340 2.807,1341 25.9,1342 38,1343 40,1344 0.35,1345 125.348,1346 216.75,1347 297.608,1348 1943,1349 8.3,1350 11.707,1351 0.732,1352 0.726,1353 13.707,1354 11.617,1355 7.592,1356 0.447,1357 0.364,1358 4.644,1359 6.391,1360 4.394,1361 3.659,1362 8.747,1363 6.184,1364 6.957,1365 0.29,1366 0.209,1367 8.365,1368 5.006,1369 6.024,1370 0.194,1371 0.131,1372 8.266,1373 4.055,1374 4.268,1375 0.119,1376 0.05,1377 5.152,1378 1.814,1379 3.32,1380 0.075,1381 0.028,1382 4.005,1383 1.223,1384 0.52,1385 63.865,1386 0.305,1387 15.884,1388 1.043,1389 82,1390 270.335,1391 220.424,1392 336.943,1393 433.5,1394 310,1395 96,1396 264.621,1397 213.022,1398 293.281,1399 429.29,1400 274,1401 5.254}
{0 CHEMBL1544158,1 1.632,2 12.357,3 1.886,4 3.558,5 98.236,6 8.313,7 0.4,8 3.942,9 4.03,10 3.576,11 3.46,12 5.204,13 3.478,14 4.447,15 4.576,16 3.95,17 3.824,18 5.787,19 3.828,20 4.687,21 4.835,22 4.015,23 3.921,24 6.024,25 3.922,26 4.736,27 4.904,28 3.907,29 3.863,30 6.115,31 3.844,32 4.625,33 4.799,34 3.82,35 3.763,36 5.961,37 3.745,38 4.594,39 4.778,40 3.849,41 3.645,42 6.222,43 3.653,44 4.413,45 4.59,46 3.629,47 3.518,48 5.868,49 3.522,50 4.297,51 4.463,52 3.547,53 3.472,54 5.755,55 3.459,56 0.161,57 0.632,58 7.487,59 4.133,60 22.458,61 4.52,62 0.495,63 0.996,64 14.862,65 6.672,66 58.319,67 7.899,68 0.713,69 1.181,70 21.029,71 8.172,72 96.516,73 9.291,74 0.907,75 1.176,76 24.262,77 8.553,78 125.723,79 9.868,80 0.649,81 1.065,82 21.347,83 7.957,84 98.681,85 9.386,86 0.919,87 0.989,88 22.278,89 7.359,90 164.814,91 9.203,92 0.668,93 0.855,94 17.873,95 5.807,96 103.4,97 6.779,98 0.64,99 0.76,100 15.494,101 5.509,102 97.106,103 6.456,104 40,105 42,106 0.279,107 0.647,108 0.8,109 0.881,110 0.896,111 0.903,112 3.374,113 0.857,114 -3.27,115 -3.26,116 -3.13,120 43.5,121 1,122 1,126 2,143 7,144 3,145 2,159 4,168 1,172 1,174 9,175 1,176 2,177 8,180 2,182 3,185 9,188 1,189 9,190 1,192 1,194 2,197 6,200 2,201 9,204 1,206 1,209 3,214 7,215 2,217 2,219 2,222 2,223 2,226 2,227 8,230 3,232 5,235 1,236 2,239 2,240 4,245 4,247 4,248 1,251 3,252 1,257 1,258 1,260 10,263 1,264 1,267 1,268 1,271 10,274 1268,275 18.413,276 18.413,277 18.413,278 18.413,279 18.413,280 16.389,281 21.231,282 10.799,283 18.622,284 14.756,285 14.756,286 14.756,287 14.756,288 14.756,289 11.528,290 23.533,291 5.126,292 15.053,293 3.891,294 1.735,295 0.835,296 0.364,297 0.277,298 0.234,299 4.051,305 1,306 1,307 1,308 725,309 3.873,312 69.229,313 184.389,316 124.204,320 2.026,321 48.582,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 63,333 346,334 4.604,335 3.955,336 6.97,337 4.303,338 3.314,339 4.191,340 2.341,341 11.723,342 3.275,343 4.164,344 3.623,345 6.023,346 3.767,347 2.803,348 3.775,349 2.03,350 8.557,351 2.7,352 3.897,353 3.594,354 5.758,355 3.568,356 2.594,357 3.248,358 1.349,359 7.797,360 2.518,361 3.583,362 3.257,363 5.518,364 3.276,365 2.284,366 2.764,367 0.892,368 6.869,369 2.248,370 3.496,371 3.065,372 5.362,373 3.127,374 2.124,375 2.681,376 0.8,377 6.39,378 2.115,379 3.442,380 2.638,381 4.776,382 3.067,383 2.032,384 2.653,385 0.141,386 5.315,387 2.085,388 3.141,389 2.118,390 4.639,391 2.796,392 1.821,393 2.285,395 5.057,396 1.765,397 2.91,398 2.008,399 4.186,400 2.467,401 1.506,402 2.078,404 3.84,405 1.435,406 2.843,407 1.852,408 3.708,409 2.414,410 1.414,411 1.974,413 2.981,414 1.414,415 2.52,416 1.495,417 3.603,418 2.004,419 0.983,420 1.456,422 2.431,423 0.997,424 2.144,425 1.272,426 3.401,427 1.794,428 0.775,429 0.942,431 1.811,432 0.777,433 1.857,434 1.227,435 3.154,436 1.542,437 0.626,438 0.734,440 1.436,441 0.565,442 1.323,443 0.977,444 2.714,445 0.979,446 -0.015,447 -0.019,449 -0.039,450 -0.015,451 1.279,452 0.6,453 2.543,454 0.884,455 -0.154,456 -0.195,458 -0.355,459 -0.156,460 1.077,461 0.36,462 2.453,463 0.74,464 -0.26,465 -0.336,467 -0.577,468 -0.258,469 12.8,470 0.457,471 0.809,472 0.029,473 37,474 1.321,475 19,476 0.679,477 18,478 0.643,479 20.468,480 0.731,481 30.4,482 0.661,483 30.743,484 1.098,485 7.729,486 0.276,487 5.634,488 0.201,489 0.169,491 0.383,496 0.733,497 1.256,498 0.698,499 1.062,500 0.616,501 0.904,502 0.616,503 1.109,504 0.738,505 1.005,506 0.513,507 0.928,508 1.049,509 1.085,510 1.013,511 1.052,512 1.018,513 1.02,514 1.18,515 1.027,516 1.143,517 1.01,518 1.074,519 1.057,520 1.075,521 1.093,522 1.035,523 1.121,524 1.184,525 1.082,526 0.856,527 1.02,528 0.801,529 0.96,530 0.821,531 0.884,532 1.197,533 0.919,534 1.061,535 0.892,536 1.18,537 0.911,538 0.987,539 0.832,540 1.017,541 0.888,542 1.006,543 0.937,544 6,545 0.218,546 3.556,547 2.799,548 1.356,549 1.073,550 0.65,551 0.446,552 0.242,553 0.157,554 10025,555 34385,556 1.993,557 39.1,558 3,559 11,562 2,563 2,567 1.707,568 1.826,569 3.558,570 0.282,571 1,572 1,575 75.077,576 1.632,577 3.788,578 4.689,579 5.159,580 5.246,581 5.29,582 3.101,583 4.593,584 4.776,585 3.767,586 1423.93,587 8.288,588 19410.2,590 1,592 1,593 254.084,594 1.531,595 4.714,596 0.2,597 0.01,598 0.085,599 0.065,600 0.037,601 0.032,602 0.019,603 0.016,604 0.009,605 0.007,606 0.48,607 0.33,608 1,609 1.163,610 142.741,611 -0.082,612 -0.105,613 0.012,614 -0.016,615 -0.068,616 0.018,617 0.14,618 -0.008,619 0.084,620 0.001,621 0.098,622 0.014,623 -0.091,624 -0.049,625 -0.101,626 -0.075,627 -0.115,628 -0.083,629 -0.116,630 -0.049,631 -0.157,632 -0.046,633 -0.07,634 -0.104,635 -0.103,636 -0.119,637 -0.06,638 -0.144,639 -0.132,640 -0.105,641 0.234,642 -0.076,643 0.244,644 -0.004,645 0.306,646 0.097,647 -0.112,648 0.089,649 -0.055,650 0.043,651 -0.051,652 0.027,653 0.046,654 0.164,655 -0.041,656 0.081,657 0.014,658 0.018,659 2.766,660 5.381,661 0.536,662 30.755,663 1.027,664 1.121,665 2.044,666 4.179,667 0.67,668 3.434,669 3.761,670 4.007,671 4.248,672 4.443,673 4.489,674 4.575,675 4.682,676 4.635,677 4.595,678 7.256,679 0.664,680 382.4,681 3.434,682 4.977,683 5.82,684 6.698,685 7.566,686 8.453,687 9.332,688 10.226,689 11.114,690 12.012,691 4.3,698 2,709 7,714 5,716 12,735 1,738 46,739 16,740 2,741 30,743 48,744 20,745 12,746 5,747 7,748 2,752 3,753 4,759 1,766 1,768 16,769 4,772 4,778 4,782 4,785 1,786 1,789 18,790 8,791 2,792 8,797 2,800 1,803 0.667,804 6,822 1,823 2,826 1,838 1,840 1,853 1,855 2,859 1,862 28,868 1,869 3,871 1,872 1,875 1,886 13,888 1,889 4,891 1,893 15.333,894 8.567,895 6.167,896 2.611,898 2.339,899 1.319,900 0.941,901 5.879,902 9.665,903 3.714,904 4.263,905 4.754,906 5.259,907 5.74,908 5.878,909 6.143,910 6.372,911 6.468,912 6.44,913 1,914 43,915 10.441,917 4.581,918 8.268,919 18.872,921 15.156,924 2.768,925 77.5,929 188.338,930 116.972,931 21.135,933 154.263,936 116.972,937 342.601,938 21.135,939 8.825,940 30.368,941 66.334,942 158.287,943 28.557,945 188.338,947 188.338,948 138.107,949 154.263,952 188.338,953 154.263,956 39.193,957 98.914,960 188.338,961 175.398,962 116.972,965 188.338,966 41.813,967 78.283,968 18.011,969 154.263,970 188.338,971 175.398,972 116.972,973 0.585,974 0.333,975 0.173,976 0.096,977 19,978 10,979 0.146,980 7,981 1,982 1.133,983 3.952,984 231.659,985 0.133,986 15,987 132.606,993 19.74,994 8.339,995 4.469,997 175.398,998 11.65,1003 2.163,1005 60.694,1006 480.708,1007 40,1013 47.445,1017 -2.628,1020 47.236,1021 51.575,1022 0.295,1023 0.686,1024 0.849,1025 0.934,1026 0.95,1027 0.958,1028 4.956,1029 1.506,1030 5.82,1031 5.057,1032 4.443,1033 4.949,1034 3.138,1035 6.637,1036 4.406,1037 6.162,1038 1.414,1039 7.391,1040 3.84,1041 4.111,1042 4.808,1043 2.619,1044 7.576,1045 4.074,1046 7.47,1047 0.983,1048 9.063,1049 2.981,1050 6.043,1051 7.063,1052 4.241,1053 10.69,1054 5.966,1055 8.809,1056 0.775,1057 10.795,1058 2.431,1059 6.509,1060 7.691,1061 4.456,1062 12.495,1063 6.429,1064 10.179,1065 0.626,1066 12.566,1067 1.811,1068 7.951,1069 9.478,1070 5.635,1071 15.161,1072 7.839,1073 11.572,1074 -0.015,1075 14.366,1076 1.436,1077 8.796,1078 10.476,1079 6.173,1080 17.348,1081 8.679,1082 12.985,1083 -0.154,1084 16.189,1085 -0.039,1086 10.057,1087 12.071,1088 7.164,1089 19.87,1090 9.917,1091 3.314,1092 -0.26,1093 18.03,1094 -0.355,1095 11.084,1096 13.262,1097 7.853,1098 22.221,1099 10.937,1100 2.803,1101 11.723,1102 19.887,1103 -0.577,1104 12.281,1105 14.768,1106 8.76,1107 24.697,1108 12.12,1109 2.594,1110 8.557,1111 21.756,1112 4.191,1113 13.393,1114 16.061,1115 9.523,1116 27.113,1117 13.224,1118 2.284,1119 7.797,1120 23.636,1121 3.775,1122 14.574,1123 17.523,1124 10.391,1125 29.576,1126 14.393,1127 2.124,1128 6.869,1129 25.526,1130 3.248,1131 15.725,1132 18.873,1133 11.192,1134 32.019,1135 15.536,1136 2.032,1137 6.39,1138 27.423,1139 2.764,1140 16.905,1141 20.312,1142 12.044,1143 34.48,1144 16.706,1145 1.821,1146 5.315,1147 29.328,1148 2.681,1149 18.076,1150 21.694,1151 12.865,1152 36.933,1153 17.869,1154 9874,1155 18444,1156 19.304,1157 30.83,1158 45.203,1159 48.222,1160 46.994,1161 44.487,1162 44.548,1163 57.559,1164 15.106,1165 128.415,1166 43.787,1167 5.513,1168 5.955,1169 6.66,1170 5.374,1171 5.314,1172 7.191,1173 3.945,1174 18.906,1175 5.275,1176 17.026,1177 1.507,1178 1.607,1179 1.566,1180 1.483,1181 1.485,1182 1.919,1183 0.504,1184 4.28,1185 1.46,1186 4.038,1187 4.058,1188 4.007,1189 3.939,1190 7.475,1191 3.951,1192 3.917,1193 3.94,1194 3.855,1195 3.845,1196 7.446,1197 3.843,1198 3.67,1199 3.711,1200 3.594,1201 3.469,1202 7.428,1203 3.489,1204 3.545,1205 3.567,1206 3.474,1207 3.31,1208 7.408,1209 3.346,1210 3.328,1211 3.343,1212 3.267,1213 3.096,1214 6.351,1215 3.133,1216 3.17,1217 3.257,1218 2.979,1219 3.023,1220 4.844,1221 2.999,1222 3.023,1223 3.04,1224 2.964,1225 2.844,1226 4.681,1227 2.862,1228 2.935,1229 2.965,1230 2.826,1231 2.716,1232 4.31,1233 2.725,1234 0.153,1235 0.132,1236 0.232,1237 0.143,1238 0.11,1239 4.604,1240 0.14,1241 3.955,1242 0.078,1243 6.97,1244 0.391,1245 4.303,1246 0.109,1247 3.314,1248 4.191,1249 2.341,1250 11.723,1251 3.275,1252 1.907,1253 1.886,1254 2.026,1255 2.011,1256 1.122,1257 2.013,1258 1.891,1259 1.871,1260 1.975,1261 1.975,1262 1.104,1263 1.978,1264 1.626,1265 1.581,1266 1.825,1267 1.865,1268 1.096,1269 1.847,1270 1.421,1271 1.393,1272 1.599,1273 1.678,1274 0.737,1275 1.651,1276 1.226,1277 1.218,1278 1.552,1279 1.535,1280 0.603,1281 1.469,1282 1.208,1283 1.128,1284 1.324,1285 1.418,1286 0.36,1287 1.459,1288 1.005,1289 0.987,1290 1.145,1291 1.239,1292 0.22,1293 1.205,1294 0.853,1295 0.807,1296 1.108,1297 1.129,1298 0.171,1299 1.112,1300 4.111,1302 5.434,1303 2.398,1304 6.94,1305 4.949,1306 8.534,1307 7.195,1308 10.178,1310 1.868,1314 8.748,1315 -0.738,1317 2.622,1318 5.476,1321 0.895,1326 30.546,1327 75.077,1328 174.252,1329 215.677,1330 237.329,1331 241.329,1332 243.329,1333 80.56,1334 7.326,1335 114.7,1336 114.7,1337 17,1338 12.538,1339 4.087,1340 3.459,1341 49.946,1342 122,1343 110,1344 0.2,1345 188.729,1346 344.02,1347 452.259,1348 15149,1350 20.259,1351 0.724,1352 0.539,1353 20.259,1354 15.098,1355 13.363,1356 0.445,1357 0.286,1358 8.422,1359 12.735,1360 8.237,1361 6.8,1362 13.363,1363 8.569,1364 12.3,1365 0.293,1366 0.149,1367 12.3,1368 6.268,1369 9.898,1370 0.183,1371 0.079,1372 9.898,1373 4.256,1374 7.964,1375 0.115,1376 0.041,1377 7.964,1378 2.838,1379 6.24,1380 0.074,1381 0.022,1382 6.24,1383 1.836,1384 0.321,1385 84.919,1386 0.228,1387 27.137,1388 0.531,1389 144,1390 538.805,1391 163.416,1392 504.884,1393 659.51,1394 466,1395 168,1396 458.805,1397 186.118,1398 458.718,1399 669.24,1400 430,1401 4.487}
{0 CHEMBL1544468,1 1.614,2 13.133,3 3.612,4 13.047,5 120.929,6 8.711,7 0.531,8 4.069,9 4.184,10 3.759,11 3.641,12 5.213,13 3.607,14 4.571,15 4.74,16 4.156,17 4.017,18 5.704,19 3.959,20 4.839,21 5.024,22 4.218,23 4.179,24 5.948,25 4.093,26 4.925,27 5.143,28 4.195,29 4.189,30 5.972,31 4.08,32 4.961,33 5.183,34 4.177,35 4.147,36 6.083,37 4.047,38 4.916,39 5.138,40 4.08,41 4.089,42 5.998,43 3.978,44 4.858,45 5.091,46 4.107,47 4.037,48 6.002,49 3.905,50 4.783,51 5.032,52 3.917,53 3.947,54 5.823,55 3.805,56 0.056,57 0.749,58 9.215,59 4.859,60 10.891,61 6.108,62 0.217,63 1.193,64 19.149,65 8.107,66 24.574,67 10.561,68 0.438,69 1.474,70 33.69,71 10.783,72 57.674,73 13.296,74 0.307,75 1.55,76 35.103,77 12.484,78 48.031,79 16.291,80 0.43,81 1.558,82 37.858,83 12.48,84 75.542,85 15.791,86 0.491,87 1.478,88 36.732,89 11.649,90 78.216,91 14.53,92 0.574,93 1.395,94 41.519,95 11.778,96 79.086,97 15.593,98 0.372,99 1.29,100 34.522,101 10.852,102 59.542,103 14.082,104 42,105 44,106 0.267,107 0.602,108 0.748,109 0.836,110 0.854,111 0.866,112 3.44,113 0.979,114 -4.54,115 -4.46,116 -4.2,118 1,120 42.6,121 2,126 3,143 9,144 3,145 4,159 2,174 9,177 3,180 2,182 7,185 14,188 1,189 1,192 1,194 6,197 12,201 7,204 1,206 2,209 7,214 11,218 1,219 4,222 6,227 3,232 2,235 3,240 4,243 3,244 1,245 5,247 7,252 3,255 1,257 3,260 6,263 1,264 1,269 2,271 9,274 1592,275 19.834,276 19.834,277 19.834,278 19.834,279 19.834,280 17.384,281 24.305,282 11.695,283 20.216,284 15.742,285 15.742,286 15.742,287 15.742,288 15.742,289 12.074,290 31.214,291 5.523,292 16.392,293 4.141,294 2.113,295 1.223,296 0.695,297 0.584,298 0.509,299 4.119,306 1,307 1,308 829,309 4.183,313 285.517,317 149.71,320 1.942,321 30.669,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 64.25,333 394,334 4.582,335 3.627,336 6.686,337 4.134,338 3.147,339 4.519,340 1.959,341 10.797,342 3.104,343 4.083,344 3.532,345 5.712,346 3.709,347 2.735,348 3.66,349 1.907,350 7.833,351 2.659,352 3.882,353 3.3,354 5.594,355 3.544,356 2.588,357 3.374,358 0.922,359 7.593,360 2.478,361 3.769,362 2.898,363 5.417,364 3.402,365 2.449,366 3.014,367 0.241,368 7.111,369 2.322,370 3.547,371 2.689,372 5.213,373 3.236,374 2.285,375 2.744,376 0.149,377 6.558,378 2.177,379 3.367,380 2.611,381 4.932,382 2.959,383 1.977,384 2.683,385 0.111,386 5.574,387 1.927,388 3.286,389 2.296,390 4.659,391 2.85,392 1.939,393 2.55,395 5,396 1.755,397 3.205,398 2.236,399 4.57,400 2.762,401 1.759,402 2.415,404 4.662,405 1.669,406 3.061,407 1.836,408 4.375,409 2.68,410 1.681,411 2.124,413 4.403,414 1.62,415 2.5,416 1.211,417 3.71,418 2,419 1,420 1.5,422 2.497,423 1,424 2.393,425 1,426 3.414,427 1.971,428 0.989,429 1.349,431 2.275,432 0.956,433 1.649,434 0.861,435 3.06,436 1.44,437 0.473,438 0.528,440 0.918,441 0.455,442 1.501,443 0.731,444 2.916,445 1.251,446 0.3,447 0.339,449 0.662,450 0.283,451 1.379,452 0.652,453 2.631,454 1.104,455 0.134,456 0.16,458 0.266,459 0.126,460 1.199,461 0.461,462 2.525,463 0.766,464 -0.127,465 -0.157,467 -0.31,468 -0.087,469 15.033,470 0.501,471 0.821,472 0.027,473 39,474 1.3,475 20.5,476 0.683,477 18.5,478 0.617,479 26.662,480 0.889,481 31.767,482 0.588,483 29.667,484 0.989,485 7.693,486 0.256,487 6.657,488 0.222,489 0.222,491 0.326,496 0.787,497 1.232,498 0.528,499 0.868,500 0.674,501 0.885,502 0.654,503 1.117,504 0.588,505 0.848,506 0.509,507 0.883,508 1.195,509 0.966,510 0.965,511 0.945,512 1.147,513 1.014,514 0.794,515 1.115,516 0.672,517 0.984,518 0.742,519 1.02,520 1.199,521 1.029,522 0.687,523 0.919,524 1.252,525 0.974,526 1.42,527 0.994,528 0.749,529 0.891,530 1.402,531 1,532 0.582,533 1.083,534 0.859,535 1.102,536 0.624,537 1.083,538 0.991,539 0.911,540 0.759,541 0.897,542 1.038,543 0.975,544 7.5,545 0.128,546 2.889,547 2.188,548 2.04,549 0.944,550 0.829,551 0.396,552 0.406,553 0.217,554 12064,555 37356,556 1.993,557 44.4,559 15,562 3,563 3,564 3,567 1.726,568 1.837,569 3.639,570 0.867,572 1,575 87.173,576 1.614,577 3.642,578 4.532,579 5.06,580 5.171,581 5.245,582 3.111,583 4.574,584 4.877,585 3.834,586 1667.82,587 8.495,588 23963.8,593 310.764,594 1.506,595 4.82,596 0.234,597 0.005,598 0.066,599 0.049,600 0.047,601 0.023,602 0.023,603 0.012,604 0.014,605 0.008,606 0.481,607 0.17,608 0.88,609 1.052,610 156.492,611 -0.082,612 -0.065,613 -0.002,614 0.021,615 -0.084,616 0.029,617 0.084,618 0.004,619 0.041,620 0.046,621 0.09,622 0.049,623 -0.162,624 0.107,625 -0.095,626 -0.007,627 -0.15,628 -0.083,629 0.024,630 -0.124,631 0.013,632 -0.065,633 0.023,634 -0.043,635 -0.1,636 -0.053,637 0.002,638 -0.016,639 -0.073,640 -0.021,641 -0.226,642 -0.013,643 -0.036,644 0.009,645 -0.195,646 -0.059,647 0.295,648 -0.129,649 0.021,650 -0.14,651 0.203,652 -0.087,653 -0.063,654 0.045,655 0.014,656 0.031,657 -0.066,658 0.01,659 1.813,660 5.537,661 0.533,662 30.338,663 1.004,664 1.121,665 3.306,666 10.927,667 0.687,668 3.497,669 3.807,670 4.007,671 4.263,672 4.489,673 4.5,674 4.585,675 4.585,676 4.595,677 4.477,678 7.575,679 0.649,680 470.4,681 3.497,682 5.03,683 5.855,684 6.725,685 7.571,686 8.444,687 9.3,688 10.175,689 11.037,690 11.913,691 5.6,694 1,698 2,708 2,709 9,714 5,716 17,734 1,737 1,738 54,739 19,740 3,741 32,742 1,743 56,744 23,745 16,746 7,747 9,752 3,753 4,759 2,768 18,769 5,772 2,778 2,782 2,786 1,789 24,790 6,791 3,792 7,793 1,797 3,803 0.667,804 3,823 3,827 1,838 2,851 1,855 2,858 1,859 2,862 30,868 1,869 3,871 2,875 1,885 1,886 5.6,888 1,889 2,893 16.333,894 10.126,895 6.667,896 3.184,898 3.3,899 1.449,900 0.961,901 7.482,902 10.654,903 3.773,904 4.369,905 4.885,906 5.486,907 6.062,908 6.283,909 6.613,910 6.885,911 7.105,912 6.872,913 0.889,914 45,915 11.093,917 4.629,918 7.875,919 20.938,921 16.728,924 2.375,925 71.25,929 247.193,930 135.563,931 85.1,933 92.973,936 181.517,937 340.166,938 39.146,939 17.65,940 42.339,941 85.286,942 102.382,943 20.024,945 247.193,946 45.954,947 247.193,948 174.709,949 92.973,951 45.954,952 211.88,953 128.287,956 63.113,957 111.596,959 45.954,960 247.193,961 132.119,962 181.517,965 247.193,966 32.627,967 106.061,968 81.976,969 92.973,970 247.193,971 132.119,972 181.517,973 0.578,974 0.321,975 0.176,976 0.102,977 19,978 10,979 0.125,980 7,981 1,982 1.125,983 4.106,984 253.02,985 0.125,986 16,987 143.207,993 22.286,994 10.072,995 6.054,996 1.988,997 132.119,998 16.453,1003 3.325,1005 78.705,1006 560.829,1007 42.5,1013 23.633,1017 -0.291,1020 54.236,1021 60.532,1022 0.281,1023 0.633,1024 0.787,1025 0.879,1026 0.899,1027 0.911,1028 4.999,1029 1.759,1030 5.844,1031 5,1032 4.489,1033 5.056,1034 2.718,1035 6.619,1036 4.417,1037 6.211,1038 1.681,1039 7.382,1040 4.662,1041 4.111,1042 4.934,1043 2.221,1044 7.445,1045 3.984,1046 7.516,1047 1,1048 9.013,1049 4.403,1050 6.052,1051 7.257,1052 3.664,1053 10.511,1054 5.924,1055 8.851,1056 0.989,1057 10.698,1058 2.497,1059 6.415,1060 7.907,1061 3.759,1062 12.159,1063 6.25,1064 10.213,1065 0.473,1066 12.419,1067 2.275,1068 7.867,1069 9.765,1070 4.823,1071 14.773,1072 7.698,1073 11.595,1074 0.3,1075 14.167,1076 0.918,1077 8.595,1078 10.819,1079 5.184,1080 16.817,1081 8.404,1082 12.995,1083 0.134,1084 15.937,1085 0.662,1086 9.843,1087 12.478,1088 6.065,1089 19.273,1090 9.648,1091 3.147,1092 -0.127,1093 17.725,1094 0.266,1095 10.764,1096 13.751,1097 6.562,1098 21.504,1099 10.555,1100 2.735,1101 10.797,1102 19.528,1103 -0.31,1104 11.928,1105 15.319,1106 7.345,1107 23.906,1108 11.713,1109 2.588,1110 7.833,1111 21.346,1112 4.519,1113 12.95,1114 16.709,1115 7.915,1116 26.22,1117 12.725,1118 2.449,1119 7.593,1120 23.176,1121 3.66,1122 14.082,1123 18.237,1124 8.644,1125 28.605,1126 13.851,1127 2.285,1128 7.111,1129 25.016,1130 3.374,1131 15.156,1132 19.685,1133 9.255,1134 30.956,1135 14.916,1136 1.977,1137 6.558,1138 26.865,1139 3.014,1140 16.281,1141 21.198,1142 9.954,1143 33.336,1144 16.033,1145 1.939,1146 5.574,1147 28.723,1148 2.744,1149 17.383,1150 22.675,1151 10.587,1152 35.702,1153 17.127,1154 11858,1155 20978,1156 20.69,1157 37.108,1158 47.218,1159 48.69,1160 49.012,1161 47.134,1162 46.912,1163 61.915,1164 10.581,1165 132.299,1166 45.063,1167 5.504,1168 5.627,1169 6.221,1170 5.17,1171 5.147,1172 7.519,1173 3.431,1174 17.971,1175 5.104,1176 18.058,1177 1.476,1178 1.522,1179 1.532,1180 1.473,1181 1.466,1182 1.935,1183 0.331,1184 4.134,1185 1.408,1186 4.101,1187 4.118,1188 6.88,1189 4.066,1190 7.431,1191 4.059,1192 3.935,1193 3.971,1194 4.028,1195 3.844,1196 7.427,1197 3.846,1198 3.707,1199 3.77,1200 3.878,1201 3.535,1202 6.469,1203 3.535,1204 3.537,1205 3.585,1206 3.599,1207 3.407,1208 4.841,1209 3.396,1210 3.481,1211 3.506,1212 3.435,1213 3.298,1214 4.761,1215 3.319,1216 3.36,1217 3.419,1218 3.314,1219 3.144,1220 4.273,1221 3.151,1222 3.162,1223 3.229,1224 3.221,1225 3.049,1226 4.177,1227 3.033,1228 2.945,1229 3.026,1230 3.006,1231 2.77,1232 4.056,1233 2.76,1234 0.143,1235 0.113,1236 0.209,1237 0.129,1238 0.098,1239 4.582,1240 0.141,1241 3.627,1242 0.061,1243 6.686,1244 0.337,1245 4.134,1246 0.097,1247 3.147,1248 4.519,1249 1.959,1250 10.797,1251 3.104,1252 2.076,1253 2.062,1254 2.135,1255 2.13,1256 1.34,1257 2.137,1258 1.9,1259 1.869,1260 2.006,1261 2.02,1262 1.114,1263 2.017,1264 1.656,1265 1.594,1266 1.881,1267 1.875,1268 1.073,1269 1.88,1270 1.467,1271 1.439,1272 1.707,1273 1.713,1274 0.795,1275 1.707,1276 1.449,1277 1.397,1278 1.621,1279 1.58,1280 0.721,1281 1.601,1282 1.32,1283 1.257,1284 1.564,1285 1.566,1286 0.692,1287 1.571,1288 1.171,1289 1.118,1290 1.407,1291 1.358,1292 0.553,1293 1.381,1294 0.922,1295 0.848,1296 1.181,1297 1.167,1298 0.245,1299 1.183,1300 4.174,1302 5.485,1304 6.978,1306 8.563,1308 10.199,1309 3.474,1310 3.426,1314 10.411,1315 1.299,1317 5.561,1321 1.97,1326 35.029,1327 87.173,1328 196.686,1329 244.725,1330 273.254,1331 279.254,1332 283.254,1333 66.113,1334 7.354,1335 81.67,1336 81.67,1337 18,1338 12.455,1339 4.322,1340 3.524,1341 55.541,1342 135,1343 146,1344 0.196,1345 224.226,1346 388.93,1347 538.87,1348 16413,1349 1.9,1350 21.673,1351 0.722,1352 0.616,1353 22.673,1354 18.492,1355 14.351,1356 0.448,1357 0.326,1358 9.594,1359 13.319,1360 9.246,1361 7.698,1362 14.928,1363 10.447,1364 13.163,1365 0.299,1366 0.181,1367 13.98,1368 7.954,1369 10.002,1370 0.185,1371 0.097,1372 10.527,1373 5.247,1374 8.356,1375 0.119,1376 0.052,1377 8.826,1378 3.645,1379 6.885,1380 0.078,1381 0.029,1382 7.371,1383 2.571,1384 0.315,1385 97.636,1386 0.22,1387 28.731,1388 0.518,1389 152,1390 452.586,1391 230.592,1392 477.756,1393 628.41,1394 442,1395 174,1396 422.656,1397 213.492,1398 443.476,1399 638.66,1400 416,1401 5.072}
{0 CHEMBL1544797,1 1.429,2 12.029,3 4.784,4 22.883,5 133.684,6 7.501,7 0.486,8 4.202,9 4.297,10 3.765,11 3.759,12 5.373,13 3.743,14 4.699,15 4.846,16 4.094,17 4.129,18 5.802,19 4.1,20 4.924,21 5.069,22 4.216,23 4.293,24 6.098,25 4.234,26 5.094,27 5.309,28 4.111,29 4.295,30 6.152,31 4.204,32 5.018,33 5.212,34 4.084,35 4.302,36 6.087,37 4.204,38 5.107,39 5.348,40 4.15,41 4.317,42 6.103,43 4.227,44 4.98,45 5.145,46 4.192,47 4.3,48 6.236,49 4.228,50 5.065,51 5.28,52 4.162,53 4.29,54 6.167,55 4.206,56 0.056,57 0.771,58 12.114,59 5.923,60 14.151,61 7.096,62 0.235,63 1.257,64 22.203,65 9.288,66 23.685,67 11.443,68 0.346,69 1.539,70 27.626,71 12.21,72 48.408,73 15.331,74 0.521,75 1.779,76 37.162,77 14.043,78 73.627,79 18.294,80 0.319,81 1.686,82 32.54,83 13.431,84 63.68,85 17.411,86 0.424,87 1.82,88 38.34,89 14.572,90 67.556,91 19.703,92 0.526,93 1.607,94 30.496,95 12.824,96 92.14,97 16.324,98 0.661,99 1.698,100 36.154,101 14.132,102 78.549,103 18.615,104 30,105 51,106 0.229,107 0.54,108 0.677,109 0.765,110 0.772,111 0.772,112 3.561,113 0.886,114 -3.9,115 -3.85,116 -3.66,120 45.9,125 2,126 3,136 2,137 2,143 11,144 3,145 4,157 1,174 16,177 7,182 2,185 17,189 10,192 2,194 4,197 13,200 1,201 8,206 4,209 7,214 11,219 2,222 12,227 7,235 17,240 2,243 4,245 2,247 20,251 4,252 4,257 2,260 22,264 3,269 4,271 18,274 2244,275 23.066,276 23.066,277 23.066,278 23.066,279 23.066,280 20.318,281 23.351,282 13.542,283 23.544,284 18.138,285 18.138,286 18.138,287 18.138,288 18.138,289 13.895,290 28.159,291 6.309,292 18.744,293 4.502,294 2.556,295 1.702,296 1.152,297 1.107,298 1.107,299 4.255,307 1,308 871,309 3.24,313 480.514,320 1.739,321 36.555,324 1,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.85,332 73.5,333 409,334 4.408,335 3.681,336 6.459,337 4.08,338 3.078,339 3.97,340 1.057,341 10.008,342 3.087,343 4.256,344 3.125,345 6.066,346 3.831,347 2.87,348 3.915,349 0.86,350 8.745,351 2.762,352 4.19,353 3.121,354 6.056,355 3.791,356 2.834,357 3.683,358 0.86,359 8.689,360 2.711,361 3.918,362 2.98,363 5.544,364 3.563,365 2.577,366 3.451,367 0.359,368 7.552,369 2.541,370 3.75,371 2.542,372 5.481,373 3.333,374 2.357,375 3.101,376 0.359,377 7.237,378 2.289,379 3.492,380 2.505,381 5.218,382 3.146,383 2.177,384 2.787,386 6.493,387 2.102,388 3.25,389 2.335,390 5.006,391 3.005,392 2.04,393 2.335,395 5.907,396 1.952,397 3.158,398 2.089,399 4.918,400 2.759,401 1.773,402 2.304,404 5.456,405 1.745,406 2.847,407 1.909,408 4.169,409 2.416,410 1.476,411 1.978,413 3.717,414 1.408,415 2.847,416 1.854,417 4.162,418 2.415,419 1.474,420 1.978,422 3.704,423 1.38,424 2.832,425 1.677,426 3.632,427 2.411,428 1.414,429 1.939,431 3.045,432 1.38,433 2.5,434 1.437,435 3.476,436 2,437 1,438 1.5,440 2.136,441 1,442 2.369,443 1.076,444 3.247,445 1.748,446 0.765,447 1.049,449 1.775,450 0.736,451 1.838,452 1.067,453 3.095,454 1.563,455 0.672,456 0.76,458 1.23,459 0.592,460 1.803,461 1,462 2.984,463 1.472,464 0.514,465 0.654,467 1.02,468 0.489,469 16.067,470 0.473,471 0.797,472 0.023,473 45.5,474 1.338,475 24.5,476 0.721,477 21,478 0.618,479 27.766,480 0.817,481 36.133,482 0.592,483 39.406,484 1.159,485 9.6,486 0.282,487 6.861,488 0.202,489 0.124,491 0.336,496 0.869,497 1.134,498 0.799,499 1.024,500 0.816,501 0.92,502 1.06,503 0.919,504 0.891,505 0.859,506 0.676,507 0.835,508 0.771,509 1.311,510 1.016,511 1.258,512 0.807,513 1.196,514 1.054,515 0.97,516 1.026,517 0.943,518 1.163,519 0.971,520 0.896,521 1.175,522 1.098,523 1.139,524 1.126,525 1.151,526 0.8,527 0.826,528 0.781,529 0.787,530 1.018,531 0.776,532 0.779,533 1.139,534 1.034,535 1.156,536 1.038,537 1.145,538 0.764,539 0.837,540 0.844,541 0.877,542 0.904,543 0.877,544 7.5,545 0.322,546 3.333,547 2.563,548 1.862,549 1.167,550 0.847,551 0.729,552 0.497,553 0.298,554 16049,555 44637,556 2.059,557 44.3,559 25,562 2,567 1.767,568 1.925,569 3.525,570 0.118,575 87.177,576 1.429,577 3.374,578 4.229,579 4.779,580 4.824,581 4.824,582 2.999,583 4.029,584 5.054,585 3.719,586 2086.34,587 8.907,588 32253.2,593 361.775,594 1.419,595 5.016,596 0.203,597 0.008,598 0.065,599 0.047,600 0.039,601 0.025,602 0.016,603 0.014,604 0.01,605 0.006,606 0.433,607 0.33,608 1,609 0.797,610 181.499,611 -0.064,612 -0.05,613 0.029,614 0.007,615 -0.102,616 0.028,617 -0.132,618 0.164,619 0.012,620 0.13,621 -0.022,622 0.108,623 0.106,624 -0.281,625 -0.119,626 -0.252,627 0.063,628 -0.233,629 -0.084,630 0.031,631 -0.038,632 0.029,633 -0.075,634 0.008,635 -0.092,636 -0.162,637 -0.164,638 -0.146,639 -0.116,640 -0.166,641 -0.014,642 0.168,643 0.206,644 0.193,645 -0.003,646 0.234,647 0.145,648 -0.118,649 -0.108,650 -0.16,651 0.136,652 -0.179,653 0.166,654 0.139,655 0.141,656 0.112,657 0.086,658 0.12,659 1.727,660 6.411,661 0.706,662 39.059,663 1.004,664 1.114,665 2.665,666 7.103,667 0.675,668 3.638,669 3.951,670 4.205,671 4.431,672 4.654,673 4.727,674 4.844,675 5.05,676 5.165,677 5.283,678 7.329,679 0.647,680 457.56,681 3.638,682 5.176,683 6.019,684 6.887,685 7.742,686 8.615,687 9.476,688 10.352,689 11.216,690 12.095,691 1.6,694 1,709 11,714 7,716 18,734 2,735 2,738 61,739 21,740 3,741 37,743 64,744 28,745 18,746 7,747 11,748 5,752 4,753 4,768 23,769 5,772 3,778 1,780 2,782 3,789 27,790 6,791 2,792 6,797 1,803 1,804 5,823 4,836 1,845 2,846 2,851 1,855 4,859 2,862 34,868 2,869 3,872 2,875 1,886 8.2,888 2,889 1,891 2,893 17.667,894 11.433,895 7.611,896 3.317,898 3.16,899 1.406,900 0.948,901 7.482,902 10.953,903 3.912,904 4.494,905 5.045,906 5.539,907 6.058,908 6.249,909 6.584,910 6.979,911 7.323,912 7.62,913 1,914 54,915 12.591,917 5.336,918 7.828,919 23.773,921 19.207,924 2.328,925 79.167,929 294.278,930 182.823,931 3.124,933 132.511,936 182.823,937 426.789,938 3.124,939 21.766,940 6.317,941 123.191,942 115.645,943 51.539,945 294.278,947 294.278,948 185.947,949 132.511,952 294.278,953 132.511,956 9.441,957 157.553,958 18.952,960 294.278,961 135.636,962 182.823,965 294.278,966 37.865,967 148.082,969 132.511,970 294.278,971 135.636,972 182.823,973 0.577,974 0.343,975 0.179,976 0.093,977 23,978 11,979 0.094,980 6,982 1,983 4.414,984 316.202,986 24,987 144.974,993 23.771,994 10.701,995 5.771,997 135.636,998 20.225,1003 3.371,1005 85.367,1006 612.736,1007 49,1013 13.411,1015 3.607,1017 1.182,1020 61.225,1021 67.943,1022 0.241,1023 0.569,1024 0.713,1025 0.806,1026 0.813,1027 0.813,1028 5.145,1029 1.773,1030 5.999,1031 5.907,1032 4.635,1033 5.182,1034 1.88,1035 6.783,1036 4.579,1037 6.35,1038 1.476,1039 7.545,1040 5.456,1041 4.205,1042 4.924,1043 0.325,1044 7.597,1045 4.123,1046 7.653,1047 1.474,1048 9.184,1049 3.717,1050 6.213,1051 7.334,1052 1.637,1053 10.664,1054 6.117,1055 8.986,1056 1.414,1057 10.877,1058 3.704,1059 6.567,1060 7.844,1061 0.604,1062 12.244,1063 6.448,1064 10.347,1065 1,1066 12.602,1067 3.045,1068 8.042,1069 9.733,1070 1.482,1071 14.824,1072 7.916,1073 11.727,1074 0.765,1075 14.349,1076 2.136,1077 8.766,1078 10.612,1079 0.783,1080 16.745,1081 8.621,1082 13.122,1083 0.672,1084 16.112,1085 1.775,1086 10.018,1087 12.262,1088 1.381,1089 19.141,1090 9.869,1091 3.078,1092 0.514,1093 17.887,1094 1.23,1095 10.926,1096 13.342,1097 0.91,1098 21.233,1099 10.765,1100 2.87,1101 10.008,1102 19.672,1103 1.02,1104 12.081,1105 14.865,1106 1.324,1107 23.553,1108 11.917,1109 2.834,1110 8.745,1111 21.464,1112 3.97,1113 13.081,1114 16.059,1115 1.011,1116 25.734,1117 12.91,1118 2.577,1119 8.689,1120 23.264,1121 3.915,1122 14.195,1123 17.512,1124 1.302,1125 28.025,1126 14.024,1127 2.357,1128 7.552,1129 25.069,1130 3.683,1131 15.241,1132 18.773,1133 1.101,1134 30.253,1135 15.068,1136 2.177,1137 7.237,1138 26.88,1139 3.451,1140 16.34,1141 20.186,1142 1.31,1143 32.535,1144 16.169,1145 2.04,1146 6.493,1147 28.695,1148 3.101,1149 17.41,1150 21.488,1151 1.186,1152 34.789,1153 17.241,1154 15469,1155 25922,1156 24.561,1157 41.176,1158 55.19,1159 56.112,1160 56.496,1161 54.124,1162 54.042,1163 70.812,1164 6.989,1165 153.427,1166 52.348,1167 5.408,1168 5.681,1169 6.261,1170 5.117,1171 5.078,1172 6.97,1173 1.917,1174 17.024,1175 5.087,1176 17.73,1177 1.492,1178 1.517,1179 1.527,1180 1.463,1181 1.461,1182 1.914,1183 0.189,1184 4.147,1185 1.415,1186 4.034,1187 4.059,1188 3.982,1189 3.954,1190 7.427,1191 3.957,1192 3.91,1193 3.924,1194 3.864,1195 3.84,1196 6.473,1197 3.843,1198 3.897,1199 3.923,1200 3.829,1201 3.837,1202 6.467,1203 3.83,1204 3.755,1205 3.781,1206 3.698,1207 3.636,1208 4.809,1209 3.648,1210 3.356,1211 3.393,1212 3.259,1213 3.221,1214 4.77,1215 3.224,1216 3.307,1217 3.364,1218 3.189,1219 3.111,1220 4.746,1221 3.118,1222 3.205,1223 3.268,1224 3.043,1225 2.952,1226 4.478,1227 2.959,1228 3.144,1229 3.217,1230 2.944,1231 2.902,1232 4.401,1233 2.898,1234 0.119,1235 0.099,1236 0.175,1237 0.11,1238 0.083,1239 4.408,1240 0.107,1241 3.681,1242 0.029,1243 6.459,1244 0.27,1245 4.08,1246 0.083,1247 3.078,1248 3.97,1249 1.057,1250 10.008,1251 3.087,1252 1.971,1253 1.95,1254 2.075,1255 2.077,1256 1.28,1257 2.077,1258 1.901,1259 1.877,1260 2.016,1261 1.986,1262 1.125,1263 1.997,1264 1.891,1265 1.875,1266 1.982,1267 1.985,1268 1.094,1269 1.982,1270 1.713,1271 1.688,1272 1.84,1273 1.859,1274 0.99,1275 1.854,1276 1.322,1277 1.288,1278 1.588,1279 1.547,1280 0.701,1281 1.559,1282 1.258,1283 1.198,1284 1.571,1285 1.522,1286 0.637,1287 1.537,1288 1.165,1289 1.093,1290 1.453,1291 1.417,1292 0.568,1293 1.426,1294 1.138,1295 1.056,1296 1.448,1297 1.366,1298 0.568,1299 1.397,1300 4.317,1302 5.631,1304 7.141,1306 8.739,1308 10.378,1310 2.987,1314 20.308,1315 1.641,1318 10.24,1321 2.196,1326 39.444,1327 87.177,1328 205.841,1329 257.947,1330 291.51,1331 294.265,1332 294.265,1333 72.738,1334 7.793,1335 79.23,1336 79.23,1337 24,1338 12.635,1339 4.459,1340 3.7,1341 56.46,1342 147,1343 160,1344 0.183,1345 241.429,1346 434.09,1347 580.847,1348 25053,1350 24.079,1351 0.708,1352 0.565,1353 24.079,1354 19.193,1355 16.461,1356 0.445,1357 0.295,1358 10.767,1359 15.862,1360 10.429,1361 8.702,1362 16.461,1363 10.927,1364 14.577,1365 0.286,1366 0.16,1367 14.577,1368 8.162,1369 12.383,1370 0.188,1371 0.086,1372 12.383,1373 5.708,1374 10.113,1375 0.122,1376 0.049,1377 10.113,1378 4.059,1379 7.826,1380 0.075,1381 0.026,1382 7.826,1383 2.717,1384 0.285,1385 103.341,1386 0.202,1387 31.325,1388 0.51,1389 176,1390 529.151,1391 190.15,1392 507.826,1393 682.77,1394 474,1395 205,1396 484.901,1397 220.511,1398 499.656,1399 721.7,1400 464,1401 5.078}
{0 CHEMBL1544929,1 1.77,2 13.286,3 4.904,4 24.048,5 120.187,6 8.971,7 0.579,8 4.124,9 4.207,10 3.822,11 3.639,12 5.408,13 3.678,14 4.638,15 4.751,16 4.257,17 3.988,18 6.303,19 4.032,20 4.784,21 4.907,22 4.275,23 4.091,24 6.189,25 4.117,26 4.901,27 5.064,28 4.251,29 4.055,30 6.288,31 4.089,32 4.863,33 5.03,34 4.203,35 4.008,36 6.301,37 4.028,38 4.803,39 4.958,40 4.115,41 3.981,42 6.229,43 3.994,44 4.797,45 4.972,46 4.143,47 3.953,48 6.411,49 3.96,50 4.7,51 4.844,52 4.075,53 3.933,54 6.09,55 3.949,56 0.296,57 0.933,58 7.122,59 5.013,60 32.795,61 4.788,62 1.166,63 1.807,64 16.643,65 8.2,66 157.656,67 7.927,68 0.931,69 1.628,70 18.332,71 9.357,72 72.909,73 9.417,74 1.177,75 1.807,76 25.438,77 10.444,78 134.665,79 10.464,80 1.335,81 1.677,82 25.849,83 9.868,84 133.529,85 10.426,86 1.198,87 1.549,88 22.504,89 9.28,90 135.569,91 9.178,92 1.39,93 1.429,94 25.309,95 9.457,96 219.098,97 10.796,98 0.955,99 1.434,100 19.375,101 8.633,102 96.1,103 8.61,104 59,105 55,106 0.289,107 0.599,108 0.72,109 0.86,110 0.878,111 0.896,112 3.588,113 0.808,114 -4.04,115 -3.99,116 -3.78,120 46.3,125 2,133 1,143 11,144 3,145 4,153 2,159 2,174 10,177 6,180 2,182 5,185 10,188 2,189 8,192 1,194 6,197 5,201 9,204 1,206 3,209 3,213 1,214 7,217 2,218 1,219 2,222 8,226 2,227 5,230 1,232 2,235 8,239 2,240 4,243 1,245 2,247 8,251 1,252 6,255 1,257 3,260 8,264 6,269 2,271 4,274 2331,275 23.124,276 23.124,277 23.124,278 23.124,279 23.124,280 20.429,281 28.121,282 13.272,283 23.79,284 18.65,285 18.65,286 18.65,287 18.65,288 18.65,289 14.252,290 38.462,291 6.165,292 19.58,293 3.985,294 2.081,295 1.339,296 0.486,297 0.375,298 0.264,299 4.277,307 1,308 992,309 4.528,312 82.091,313 360.224,316 160.555,320 2.18,321 64.316,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 80.5,333 465,334 4.585,335 4.46,336 7.116,337 4.181,338 3.32,339 4.532,340 3.825,341 11.69,342 3.112,343 4.455,344 3.6,345 6.583,346 4.129,347 3.138,348 3.948,349 1.058,350 10.506,351 2.935,352 4.305,353 3.566,354 6.15,355 3.931,356 2.944,357 3.856,358 1.058,359 9.149,360 2.865,361 3.977,362 3.149,363 5.962,364 3.637,365 2.651,366 3.373,367 0.86,368 8.366,369 2.609,370 3.839,371 2.896,372 5.515,373 3.465,374 2.506,375 3.167,376 0.86,377 7.437,378 2.379,379 3.612,380 2.584,381 5.293,382 3.217,383 2.245,384 2.929,386 6.691,387 2.153,388 3.442,389 2.413,390 5.167,391 3.033,392 2.09,393 2.768,395 6.153,396 1.963,397 3.297,398 2.309,399 4.975,400 2.889,401 1.924,402 2.567,404 5.748,405 1.842,406 2.993,407 1.851,408 4.523,409 2.524,410 1.581,411 2.205,413 4.511,414 1.495,415 2.933,416 1.753,417 4.175,418 2.487,419 1.486,420 2.073,422 3.717,423 1.454,424 2.649,425 1.717,426 4.012,427 2.153,428 1.159,429 1.632,431 3.131,432 1.137,433 2.568,434 1.354,435 3.906,436 2.084,437 1.089,438 1.585,440 2.773,441 1.073,442 2.541,443 1.205,444 3.483,445 2.021,446 1,447 1.469,449 2.505,450 1.013,451 2.172,452 1.189,453 3.332,454 1.761,455 0.835,456 1.067,458 1.878,459 0.764,460 1.584,461 0.995,462 2.834,463 1.296,464 0.433,465 0.483,467 0.639,468 0.37,469 15.824,470 0.452,471 1.086,472 0.031,473 47.75,474 1.364,475 25,476 0.714,477 22.75,478 0.65,479 26.786,480 0.765,481 38.176,482 0.707,483 44.45,484 1.27,485 10.12,486 0.289,487 6.553,488 0.187,489 0.159,490 0.032,491 0.348,493 3,496 0.682,497 0.95,498 0.614,499 1.038,500 0.6,501 0.868,502 0.695,503 0.743,504 0.677,505 0.886,506 0.462,507 0.818,508 0.784,509 0.977,510 0.872,511 1.112,512 0.677,513 1.064,514 1.12,515 1.07,516 1.031,517 1.084,518 1.096,519 1.028,520 0.953,521 0.756,522 0.969,523 0.894,524 0.975,525 0.934,526 1.041,527 0.894,528 1.147,529 1.027,530 1.145,531 1.09,532 0.661,533 0.694,534 0.783,535 0.816,536 0.679,537 0.847,538 0.954,539 0.898,540 1.001,541 1.011,542 0.878,543 1.028,544 9.5,545 0.297,546 4,547 2.819,548 2.557,549 1.226,550 0.999,551 0.52,552 0.383,553 0.5,554 18297,555 68533,556 2.017,557 35.2,559 17,562 2,567 1.768,568 1.85,569 3.69,570 0.219,575 95.592,576 1.77,577 3.674,578 4.416,579 5.269,580 5.38,581 5.491,582 3.13,583 4.822,584 5.102,585 3.9,586 2320.5,587 8.959,588 36937.5,593 310.764,594 1.652,595 5.033,596 0.25,597 0.007,598 0.073,599 0.05,600 0.048,601 0.025,602 0.022,603 0.011,604 0.009,605 0.012,606 0.506,607 0.33,608 0.88,609 0.915,610 190.521,611 -0.064,612 -0.054,613 0.021,614 -0.045,615 -0.098,616 0.013,617 0.212,618 0.258,619 0.134,620 0.103,621 0.322,622 0.08,623 -0.014,624 -0.147,625 -0.068,626 -0.153,627 -0.002,628 -0.145,629 -0.173,630 -0.126,631 -0.081,632 -0.124,633 -0.14,634 -0.073,635 -0.015,636 0.097,637 0.001,638 0.051,639 -0.041,640 0.028,641 -0.119,642 -0.003,643 -0.226,644 -0.078,645 -0.159,646 -0.153,647 0.19,648 0.057,649 0.202,650 0.136,651 0.262,652 0.163,653 -0.105,654 -0.089,655 -0.114,656 -0.052,657 -0.077,658 -0.079,659 5.797,660 5.793,661 0.6,662 39.074,663 1.041,664 1.134,665 2.812,666 7.905,667 0.68,668 3.664,669 4.025,670 4.263,671 4.511,672 4.736,673 4.796,674 4.913,675 4.934,676 5.011,677 5.136,678 8.027,679 0.686,680 484.46,681 3.664,682 5.231,683 6.08,684 6.973,685 7.84,686 8.732,687 9.607,688 10.497,689 11.376,690 12.265,691 3.7,698 2,708 2,709 11,712 1,714 7,716 22,723 2,735 2,738 54,739 24,740 3,741 38,743 57,744 25,745 20,746 8,747 10,748 2,752 4,753 5,759 1,765 1,768 22,769 3,772 2,778 2,782 2,787 3,788 1,789 19,790 10,791 2,792 10,797 2,803 0.75,804 5,822 1,823 3,826 1,855 3,859 2,861 3,862 35,871 2,872 2,876 1,885 3,886 9.3,889 2,891 3,893 18.917,894 10.429,895 7.611,896 2.864,898 4.139,899 1.513,900 0.99,901 6.943,902 12.214,903 3.951,904 4.588,905 5.18,906 5.776,907 6.308,908 6.578,909 6.91,910 7.181,911 7.38,912 7.71,913 0.889,914 56,915 13.469,917 6.328,918 8.331,919 23.292,921 18.667,924 2.831,925 99.083,929 200.109,930 178.403,931 36.022,933 81.797,934 44.88,936 178.403,937 281.906,938 80.902,939 21.766,940 36.022,941 104.239,942 59.699,943 101.332,944 10.285,945 200.109,946 7.76,947 200.109,948 214.425,949 126.677,952 200.109,953 126.677,956 43.781,957 170.644,960 244.989,961 117.818,962 178.403,965 207.868,966 44.639,967 126.005,968 36.022,969 126.677,970 200.109,971 162.699,972 178.403,973 0.591,974 0.342,975 0.179,976 0.101,977 26,978 13,979 0.105,980 6,981 1,982 1.095,983 4.446,984 328.772,985 0.095,986 21,987 174.77,993 24.487,994 9.923,995 5.546,996 1.077,997 162.699,998 15.289,1001 5.637,1003 0.09,1005 36.022,1006 541.211,1007 51,1013 25.539,1017 -1.27,1020 56.214,1021 61.215,1022 0.308,1023 0.638,1024 0.767,1025 0.915,1026 0.935,1027 0.954,1028 5.207,1029 1.924,1030 6.111,1031 6.153,1032 4.71,1033 5.276,1034 3.342,1035 6.959,1036 4.628,1037 6.451,1038 1.581,1039 7.704,1040 5.748,1041 4.511,1042 5.215,1043 3.903,1044 8.061,1045 4.321,1046 7.785,1047 1.486,1048 9.4,1049 4.511,1050 6.389,1051 7.524,1052 5.452,1053 11.075,1054 6.217,1055 9.154,1056 1.159,1057 11.157,1058 3.717,1059 6.957,1060 8.232,1061 6.69,1062 12.959,1063 6.67,1064 10.55,1065 1.089,1066 12.953,1067 3.131,1068 8.369,1069 10.064,1070 8.06,1071 15.554,1072 8.084,1073 11.967,1074 1,1075 14.777,1076 2.773,1077 9.269,1078 11.144,1079 9.388,1080 17.756,1081 8.879,1082 13.399,1083 0.835,1084 16.622,1085 2.505,1086 10.513,1087 12.775,1088 10.734,1089 20.225,1090 10.102,1091 3.32,1092 0.433,1093 18.483,1094 1.878,1095 11.56,1096 14.051,1097 12.074,1098 22.559,1099 11.058,1100 3.138,1101 11.69,1102 20.358,1103 0.639,1104 12.746,1105 15.595,1106 13.417,1107 24.993,1108 12.203,1109 2.944,1110 10.506,1111 22.243,1112 4.532,1113 13.859,1114 16.973,1115 14.758,1116 27.384,1117 13.235,1118 2.651,1119 9.149,1120 24.139,1121 3.948,1122 15.028,1123 18.481,1124 16.1,1125 29.813,1126 14.351,1127 2.506,1128 8.366,1129 26.042,1130 3.856,1131 16.171,1132 19.914,1133 17.441,1134 32.229,1135 15.419,1136 2.245,1137 7.437,1138 27.952,1139 3.373,1140 17.338,1141 21.409,1142 18.783,1143 34.661,1144 16.525,1145 2.09,1146 6.691,1147 29.868,1148 3.167,1149 18.496,1150 22.872,1151 20.124,1152 37.091,1153 17.613,1154 17610,1155 34312,1156 24.561,1157 36.71,1158 57.999,1159 59.067,1160 59.331,1161 57.365,1162 57.278,1163 75.907,1164 15.324,1165 170.602,1166 54.762,1167 5.442,1168 6.46,1169 6.708,1170 5.218,1171 5.32,1172 7.532,1173 5.335,1174 18.674,1175 5.112,1176 21.365,1177 1.526,1178 1.554,1179 1.561,1180 1.51,1181 1.507,1182 1.998,1183 0.403,1184 4.49,1185 1.441,1186 4.113,1187 4.115,1188 4.086,1189 4.007,1190 8.513,1191 4.023,1192 3.979,1193 4.002,1194 3.94,1195 3.889,1196 7.999,1197 3.896,1198 3.892,1199 3.915,1200 3.852,1201 3.816,1202 7.999,1203 3.818,1204 3.529,1205 3.547,1206 3.485,1207 3.353,1208 7.432,1209 3.378,1210 3.409,1211 3.445,1212 3.393,1213 3.144,1214 7.427,1215 3.19,1216 3.28,1217 3.334,1218 3.227,1219 3,1220 5.13,1221 3.033,1222 3.264,1223 3.315,1224 3.134,1225 2.989,1226 4.847,1227 3.021,1228 3.2,1229 3.253,1230 3.053,1231 2.957,1232 4.709,1233 2.971,1234 0.121,1235 0.117,1236 0.187,1237 0.11,1238 0.087,1239 4.585,1240 0.119,1241 4.46,1242 0.101,1243 7.116,1244 0.308,1245 4.181,1246 0.082,1247 3.32,1248 4.532,1249 3.825,1250 11.69,1251 3.112,1252 1.932,1253 1.91,1254 2.017,1255 2.046,1256 1.123,1257 2.035,1258 1.909,1259 1.896,1260 1.995,1261 1.999,1262 1.116,1263 1.995,1264 1.873,1265 1.851,1266 1.963,1267 1.977,1268 1.074,1269 1.971,1270 1.508,1271 1.506,1272 1.611,1273 1.732,1274 0.625,1275 1.682,1276 1.259,1277 1.224,1278 1.573,1279 1.566,1280 0.576,1281 1.549,1282 1.203,1283 1.137,1284 1.53,1285 1.517,1286 0.549,1287 1.526,1288 1.155,1289 1.088,1290 1.333,1291 1.466,1292 0.352,1293 1.426,1294 1.067,1295 1.026,1296 1.205,1297 1.362,1298 0.263,1299 1.302,1300 4.344,1302 5.694,1303 2.398,1304 7.225,1305 4.727,1306 8.835,1307 6.862,1308 10.488,1310 2.861,1312 38.903,1317 5.062,1318 10.442,1322 -4.547,1326 37.035,1327 95.592,1328 198.392,1329 238.446,1330 284.499,1331 290.499,1332 296.499,1333 94.526,1334 8.074,1335 89.8,1336 89.8,1337 23,1338 12.797,1339 4.644,1340 3.807,1341 59.534,1342 169,1343 156,1344 0.169,1345 223.041,1346 400.5,1347 535.98,1348 40657,1349 5.6,1350 25.165,1351 0.719,1352 0.529,1353 22.665,1354 18.526,1355 16.672,1356 0.439,1357 0.269,1358 9.985,1359 15.693,1360 9.789,1361 8.1,1362 15.461,1363 10.233,1364 15.884,1365 0.289,1366 0.135,1367 13.926,1368 7.426,1369 12.609,1370 0.18,1371 0.072,1372 11.647,1373 5.062,1374 10.274,1375 0.114,1376 0.038,1377 9.756,1378 3.398,1379 8.422,1380 0.075,1381 0.02,1382 7.781,1383 2.253,1384 0.269,1385 107.303,1386 0.202,1387 32.345,1388 0.452,1389 186,1390 829.677,1391 221.518,1392 703.294,1393 918.97,1394 652,1395 218,1396 644.143,1397 247.367,1398 630.585,1399 939.86,1400 588,1401 5.457}
{0 CHEMBL1545039,1 1.93,2 9.13,3 1.101,4 1.212,5 82.923,6 9.845,7 0.44,8 3.694,9 3.781,10 3.47,11 3.189,12 5.007,13 3.233,14 4.171,15 4.277,16 3.86,17 3.549,18 5.55,19 3.584,20 4.348,21 4.501,22 3.977,23 3.568,24 5.738,25 3.594,26 4.362,27 4.521,28 3.905,29 3.493,30 5.842,31 3.529,32 4.254,33 4.398,34 3.847,35 3.448,36 5.71,37 3.488,38 4.131,39 4.245,40 3.788,41 3.373,42 5.76,43 3.418,44 4.17,45 4.304,46 3.721,47 3.355,48 5.681,49 3.373,50 4.026,51 4.183,52 3.398,53 3.202,54 5.525,55 3.176,56 0.238,57 0.523,58 3.614,59 2.707,60 22.677,61 2.492,62 0.529,63 0.782,64 7.485,65 4.298,66 43.381,67 4.14,68 0.701,69 0.849,70 14.115,71 5.239,72 65.557,73 5.585,74 0.855,75 0.813,76 15.476,77 4.736,78 75.466,79 4.85,80 0.689,81 0.711,82 14.898,83 4.679,84 66.915,85 4.518,86 0.645,87 0.626,88 10.568,89 4.46,90 89.882,91 4.23,92 0.74,93 0.618,94 14.619,95 4.671,96 67.785,97 4.404,98 0.628,99 0.53,100 14.316,101 4.154,102 78.346,103 3.96,104 18,105 35,106 0.352,107 0.747,108 0.82,109 0.861,110 0.875,111 0.875,112 3.189,113 0.836,114 -2.26,115 -2.29,116 -2.26,120 41.2,126 1,129 1,139 2,143 5,144 1,147 1,152 1,159 2,167 2,174 6,176 2,177 1,180 2,182 1,185 6,188 1,189 5,192 2,194 2,197 3,200 3,201 4,204 4,206 3,213 3,214 5,217 1,219 1,226 3,227 7,235 1,239 1,240 8,243 1,244 1,245 1,247 2,252 7,255 1,260 2,264 4,267 1,269 1,271 1,274 746,275 15.508,276 15.508,277 15.508,278 15.508,279 15.508,280 13.705,281 16.783,282 9.075,283 15.837,284 12.25,285 12.25,286 12.25,287 12.25,288 12.25,289 9.43,290 22.136,291 4.225,292 12.857,293 3.158,294 0.996,295 0.599,296 0.375,297 0.294,298 0.294,299 3.863,303 1,306 1,307 1,308 445,309 2.915,312 126.572,313 78.597,320 1.289,321 35.655,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 52.333,333 210,334 4.565,335 3.927,336 6.878,337 4.178,338 3.249,339 4.096,340 1.832,341 11.434,342 2.999,343 4.141,344 3.56,345 6.034,346 3.783,347 2.781,348 3.672,349 1.195,350 8.609,351 2.779,352 3.993,353 3.152,354 5.702,355 3.567,356 2.616,357 3.492,358 0.937,359 7.709,360 2.467,361 3.385,362 2.767,363 5.338,364 3.057,365 2.097,366 2.588,367 0.765,368 6.38,369 1.988,370 3.297,371 2.474,372 5.02,373 2.884,374 1.936,375 2.509,376 0.132,377 5.724,378 1.842,379 2.913,380 2.178,381 4.323,382 2.593,383 1.629,384 1.974,386 3.853,387 1.546,388 2.737,389 2.059,390 4.192,391 2.175,392 1.26,393 1.7,395 3.514,396 1.109,397 2.507,398 1.324,399 3.464,400 2.01,401 1.016,402 1.5,404 2.454,405 1,406 2.5,407 1.17,408 3.284,409 2,410 1,411 1.421,413 2.136,414 0.977,415 2.201,416 1,417 3.247,418 1.679,419 0.73,420 1.053,422 1.725,423 0.678,424 1.492,425 0.864,426 2.923,427 1.211,428 0.335,429 0.379,431 0.502,432 0.287,433 1.162,434 0.688,435 2.597,436 0.777,437 -0.093,438 -0.108,440 -0.234,441 -0.068,442 1,443 0.597,444 2.394,445 0.59,446 -0.361,447 -0.437,449 -0.902,450 -0.32,451 0.745,452 0.038,453 2.268,454 0.28,455 -0.752,456 -1.066,458 -1.614,459 -0.767,460 0.5,461 -0.531,462 1.868,464 -1,465 -1.292,467 -2.347,468 -1,469 10.648,470 0.463,471 0.575,472 0.025,473 29.75,474 1.293,475 14.5,476 0.63,477 15.25,478 0.663,479 16.096,480 0.7,481 24.752,482 0.728,483 22.976,484 0.999,485 6.373,486 0.277,487 4.723,488 0.205,489 0.161,491 0.366,496 0.778,497 1.125,498 0.543,499 0.9,500 0.693,501 0.786,502 0.798,503 1.232,504 0.679,505 0.942,506 0.695,507 0.915,508 0.734,509 1.199,510 0.77,511 1.121,512 0.767,513 1.012,514 0.963,515 0.919,516 0.978,517 0.885,518 1.101,519 0.926,520 1.179,521 0.908,522 1.129,523 0.95,524 1.182,525 0.873,526 1.021,527 1.039,528 0.78,529 0.998,530 0.999,531 0.898,532 1.182,533 0.929,534 1.236,535 1.025,536 1.003,537 0.995,538 1.36,539 0.921,540 1.578,541 1.029,542 1.315,543 1.11,544 4.5,545 0.025,546 2.667,547 2.201,548 1.091,549 0.973,550 0.59,551 0.366,552 0.156,553 0.092,554 5233,555 20358,556 2.041,557 32.4,559 7,560 2,562 2,567 1.662,568 1.89,569 3.167,570 0.45,572 1,574 1,575 65.617,576 1.93,577 4.091,578 4.489,579 4.712,580 4.793,581 4.793,582 2.653,583 4.023,584 4.494,585 3.282,586 830.435,587 7.763,588 9323.12,589 1,590 1,593 172.974,594 1.478,595 4.443,596 0.18,597 0.004,598 0.076,599 0.065,600 0.034,601 0.031,602 0.02,603 0.014,604 0.008,605 0.008,606 0.441,607 0.33,608 1,609 0.832,610 106.437,611 -0.08,612 0.054,613 -0.003,614 0.008,615 -0.105,616 0.022,617 0.03,618 -0.126,619 -0.014,620 -0.028,621 -0.021,622 -0.072,623 0.135,624 -0.182,625 0.164,626 -0.175,627 0.037,628 -0.059,629 0.067,630 0.102,631 -0.01,632 0.021,633 -0.057,634 -0.023,635 -0.127,636 0.081,637 -0.05,638 0.013,639 -0.123,640 0.049,641 0.067,642 -0.088,643 0.126,644 -0.016,645 0.194,646 0.03,647 -0.051,648 -0.01,649 -0.092,650 -0.013,651 0.017,652 -0.033,653 -0.284,654 -0.021,655 -0.333,656 0.004,657 -0.132,658 -0.1,659 2.443,660 5.199,661 0.696,662 17.72,663 1.046,664 1.13,665 1.026,666 1.052,667 0.698,668 3.258,669 3.584,670 3.871,671 4.127,672 4.248,673 4.317,674 4.407,675 4.382,676 4.369,677 4.263,678 5.398,679 0.702,680 334.74,681 3.258,682 4.796,683 5.652,684 6.535,685 7.413,686 8.304,687 9.19,688 10.086,689 10.978,690 11.877,691 11.8,698 1,699 1,701 2,709 6,710 2,714 2,715 1,716 11,723 1,738 34,739 14,740 1,741 25,743 36,744 14,745 8,746 1,747 5,748 4,749 1,752 3,753 3,754 1,759 1,768 12,769 2,771 1,772 3,778 2,782 4,785 1,786 1,789 11,790 7,791 2,792 9,793 1,797 4,803 1,804 4,805 1,822 2,823 1,841 1,845 2,853 1,855 3,860 1,862 23,868 1,869 1,871 1,872 1,874 1,883 1,885 1,886 11.8,887 1,889 2,891 1,893 12.167,894 6.026,895 5.139,896 1.799,898 2.095,899 1.309,900 0.941,901 4.431,902 8.879,903 3.541,904 4.107,905 4.66,906 5.157,907 5.489,908 5.656,909 5.91,910 5.973,911 6.087,912 6.191,913 1,914 34,915 8.492,917 3.728,918 8.237,919 15.259,921 12.198,924 2.737,925 62.944,929 105.94,930 80.524,931 52.991,932 39.149,933 103.973,936 80.524,937 249.062,938 52.991,940 18.011,941 99.112,942 101.647,943 18.719,944 23.542,945 82.398,946 39.149,947 105.94,948 133.515,949 103.973,950 39.149,952 105.94,953 61.29,954 42.683,956 22.544,957 71.51,958 78.609,960 105.94,961 156.964,962 119.673,965 105.94,966 24.096,967 58.205,968 18.011,969 176.325,970 105.94,971 156.964,972 119.673,973 0.581,974 0.351,975 0.188,976 0.097,977 17,978 8,979 0.111,980 4,982 1,983 3.462,984 183.872,986 16,987 100.042,993 15.679,994 6.5,995 3.123,997 155.187,998 9.836,999 7.466,1003 0.69,1004 1.189,1005 60.694,1006 382.577,1007 33.5,1013 23.887,1017 -1.29,1020 35.575,1021 38.436,1022 0.379,1023 0.804,1024 0.882,1025 0.926,1026 0.942,1027 0.942,1028 4.777,1029 1.016,1030 5.645,1031 3.514,1032 4.263,1033 4.792,1034 2.562,1035 6.475,1036 4.163,1037 5.984,1038 1,1039 7.22,1040 2.454,1041 3.892,1042 4.559,1043 0.877,1044 7.424,1045 3.729,1046 7.295,1047 0.73,1048 8.897,1049 2.136,1050 5.872,1051 6.931,1052 3.297,1053 10.549,1054 5.673,1055 8.643,1056 0.335,1057 10.634,1058 1.725,1059 6.347,1060 7.535,1061 1.879,1062 12.361,1063 6.068,1064 10.025,1065 -0.093,1066 12.409,1067 0.502,1068 7.795,1069 9.357,1070 4.296,1071 15.012,1072 7.48,1073 11.431,1074 -0.361,1075 14.213,1076 -0.234,1077 8.646,1078 10.343,1079 3.112,1080 17.185,1081 8.243,1082 12.855,1083 -0.752,1084 16.037,1085 -0.902,1086 9.898,1087 11.934,1088 5.405,1089 19.684,1090 9.449,1091 3.249,1092 -1,1093 17.877,1094 -1.614,1095 10.918,1096 13.109,1097 4.437,1098 22.01,1099 10.379,1100 2.781,1101 11.434,1102 19.731,1103 -2.347,1104 12.101,1105 14.593,1106 6.556,1107 24.461,1108 11.502,1109 2.616,1110 8.609,1111 21.596,1112 4.096,1113 13.197,1114 15.866,1115 5.774,1116 26.85,1117 12.509,1118 2.097,1119 7.709,1120 23.47,1121 3.672,1122 14.36,1123 17.3,1124 7.724,1125 29.288,1126 13.601,1127 1.936,1128 6.38,1129 25.352,1130 3.492,1131 15.491,1132 18.625,1133 7.098,1134 31.703,1135 14.645,1136 1.629,1137 5.724,1138 27.24,1139 2.588,1140 16.651,1141 20.036,1142 8.899,1143 34.138,1144 15.726,1145 1.26,1146 3.853,1147 29.135,1148 2.509,1149 17.8,1150 21.391,1151 8.407,1152 36.565,1153 16.788,1154 5165,1155 10335,1156 16.414,1157 23.744,1158 37.98,1159 39.562,1160 39.209,1161 37.419,1162 37.299,1163 48.769,1164 9.723,1165 108.08,1166 35.346,1167 5.483,1168 5.927,1169 6.68,1170 5.267,1171 5.249,1172 7.096,1173 3.581,1174 18.574,1175 4.999,1176 11.711,1177 1.519,1178 1.582,1179 1.568,1180 1.497,1181 1.492,1182 1.951,1183 0.389,1184 4.323,1185 1.414,1186 4.004,1187 4.047,1188 4.067,1189 3.863,1190 7.435,1191 3.871,1192 3.897,1193 3.93,1194 3.847,1195 3.764,1196 7.428,1197 3.789,1198 3.672,1199 3.693,1200 3.728,1201 3.47,1202 6.457,1203 3.5,1204 3.306,1205 3.329,1206 3.341,1207 3.08,1208 5.095,1209 3.115,1210 3.118,1211 3.171,1212 3.071,1213 2.75,1214 4.772,1215 2.798,1216 2.854,1217 2.925,1218 2.986,1219 2.735,1220 4.723,1221 2.715,1222 2.796,1223 2.841,1224 2.69,1225 2.593,1226 4.353,1227 2.602,1228 2.576,1229 2.574,1230 2.687,1231 2.27,1232 3.706,1233 2.331,1234 0.183,1235 0.157,1236 0.275,1237 0.167,1238 0.13,1239 4.565,1240 0.164,1241 3.927,1242 0.073,1243 6.878,1244 0.457,1245 4.178,1246 0.12,1247 3.249,1248 4.096,1249 1.832,1250 11.434,1251 2.999,1252 1.903,1253 1.878,1254 2.018,1255 1.999,1256 1.08,1257 2.004,1258 1.649,1259 1.615,1260 1.736,1261 1.837,1262 0.941,1263 1.81,1264 1.454,1265 1.414,1266 1.595,1267 1.692,1268 0.778,1269 1.667,1270 1.281,1271 1.271,1272 1.357,1273 1.593,1274 0.368,1275 1.524,1276 1.047,1277 1.031,1278 1.181,1279 1.38,1280 0.218,1281 1.297,1282 0.886,1283 0.821,1284 1.137,1285 1.129,1286 0.204,1287 1.111,1288 0.87,1289 0.8,1290 1.097,1291 1.072,1292 0.12,1293 1.107,1294 0.638,1295 0.548,1296 0.824,1297 1.062,1299 1.021,1300 3.932,1302 5.252,1303 3.045,1304 6.758,1305 5.416,1306 8.345,1307 7.506,1308 9.977,1311 5.943,1314 9.039,1315 -0.319,1317 2.556,1318 5.048,1320 -1.101,1326 23.88,1327 65.617,1328 139.099,1329 152.609,1330 160.219,1331 162.974,1332 162.974,1333 48.167,1334 6.784,1335 106.34,1336 106.34,1337 16,1338 12.401,1339 3.907,1340 3.248,1341 36.644,1342 72,1343 78,1344 0.248,1345 150.959,1346 265.13,1347 360.1,1348 7002,1349 2.9,1350 16.397,1351 0.713,1352 0.539,1353 16.897,1354 12.396,1355 11.097,1356 0.444,1357 0.279,1358 6.472,1359 10.219,1360 6.375,1361 5.239,1362 11.385,1363 6.967,1364 9.868,1365 0.282,1366 0.143,1367 10.201,1368 5.015,1369 8.556,1370 0.182,1371 0.074,1372 9.033,1373 3.473,1374 6.933,1375 0.114,1376 0.037,1377 7.273,1378 2.264,1379 5.059,1380 0.073,1381 0.019,1382 5.312,1383 1.328,1384 0.379,1385 74.324,1386 0.247,1387 22.309,1388 0.712,1389 120,1390 470.828,1391 153.781,1392 471.006,1393 617,1394 436,1395 142,1396 422.15,1397 176.604,1398 428.262,1399 630.6,1400 401,1401 4.448}
{0 CHEMBL1545103,1 1.587,2 9.2,3 4.093,4 16.751,5 79.953,6 8.587,7 0.727,8 3.603,9 3.683,10 3.359,11 3.291,12 4.765,13 3.237,14 4.081,15 4.205,16 3.772,17 3.647,18 5.276,19 3.578,20 4.219,21 4.355,22 3.652,23 3.666,24 5.39,25 3.579,26 4.231,27 4.408,28 3.471,29 3.51,30 5.385,31 3.416,32 4,33 4.165,34 3.408,35 3.291,36 5.233,37 3.237,38 3.905,39 4.068,40 3.215,41 3.226,42 5.148,43 3.158,44 3.769,45 3.954,46 3.146,47 3.215,48 4.842,49 3.092,50 3.814,51 3.993,52 3.009,53 3.143,54 4.915,55 2.998,56 0.009,57 0.4,58 5.456,59 3.081,60 3.833,61 3.522,62 0.152,63 0.679,64 11.553,65 5.29,66 17.524,67 6.141,68 0.126,69 0.798,70 16.346,71 6.556,72 17.454,73 6.728,74 0.197,75 0.766,76 15.846,77 6.442,78 29.202,79 6.937,80 0.179,81 0.597,82 14.007,83 5.285,84 25.263,85 5.504,86 0.234,87 0.534,88 10.189,89 4.313,90 28.217,91 4.852,92 0.038,93 0.485,94 8.966,95 4.211,96 10.166,97 5.227,98 0.219,99 0.518,100 12.8,101 4.677,102 33.599,103 4.539,104 10,105 31,106 0.291,107 0.609,108 0.707,109 0.827,110 0.827,111 0.827,112 3.057,113 0.967,114 -4.6,115 -4.53,116 -4.26,120 48.5,121 2,143 7,144 2,145 1,147 1,153 1,159 1,162 1,174 8,176 1,177 7,185 10,189 8,197 7,201 6,209 5,214 5,222 8,226 2,227 1,235 7,240 3,247 7,252 2,260 5,264 2,271 4,274 470,275 13.326,276 13.326,277 13.326,278 13.326,279 13.326,280 11.296,281 10.272,282 7.778,283 13.703,284 10.865,285 10.865,286 10.865,287 10.865,288 10.865,289 7.796,290 8.528,291 3.747,292 11.488,293 3.458,294 1.722,295 1.187,296 0.531,297 0.531,298 0.531,299 3.735,305 1,306 1,307 1,308 399,309 2.646,312 45.981,313 115.575,316 80.118,320 1.42,321 16.683,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 42.5,333 184,334 4.5,335 3.686,336 6.305,337 3.984,338 3.04,339 4.441,340 1.674,341 9.646,342 2.887,343 4.101,344 3.006,345 5.965,346 3.687,347 2.742,348 3.651,350 8.453,351 2.579,352 3.92,353 2.762,354 5.388,355 3.496,356 2.509,357 3.426,359 7.045,360 2.457,361 3.425,362 2.36,363 4.901,364 3.031,365 2.076,366 2.729,368 5.721,369 1.973,370 3.28,371 2.219,372 4.797,373 2.814,374 1.889,375 2.558,377 5.266,378 1.714,379 3.019,380 1.772,381 4.438,382 2.449,383 1.521,384 2.271,386 4.35,387 1.394,388 2.756,389 1.517,390 4.03,391 2.234,392 1.24,393 1.779,395 3.284,396 1.213,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 1.898,407 0.855,408 3.161,409 1.313,410 0.412,411 0.602,413 1.08,414 0.364,415 1.4,416 0.447,417 2.772,418 1.033,419 0.066,420 0.083,422 0.149,423 0.063,424 0.886,425 0.068,426 2.287,427 0.428,428 -0.509,429 -0.643,431 -1.31,432 -0.47,433 0.706,434 -0.246,435 2,436 0.322,437 -0.665,438 -0.829,440 -1.608,441 -0.645,442 0.598,443 -0.589,444 2,445 0.152,446 -0.843,447 -1.19,449 -2.211,450 -0.824,451 0.5,452 -0.823,453 2,455 -1,456 -1.432,458 -2.931,459 -0.935,460 0.36,461 -0.948,462 1.701,463 -0.05,464 -1,465 -1.5,467 -3,468 -1,469 9.9,470 0.495,471 0.558,472 0.028,473 28.25,474 1.413,475 16,476 0.8,477 12.25,478 0.613,479 13.516,480 0.676,481 20.1,482 0.609,483 17.474,484 0.874,485 5.497,486 0.275,487 4.117,488 0.206,489 0.135,491 0.354,496 0.677,497 0.991,498 0.685,499 0.852,500 0.603,501 0.823,502 0.58,503 1.008,504 0.696,505 0.866,506 0.47,507 0.786,508 1.238,509 1.149,510 1.335,511 1.25,512 0.86,513 1.1,514 1.576,515 0.975,516 1.002,517 0.954,518 1.451,519 1.013,520 1.448,521 1.015,522 0.879,523 1.065,524 1.865,525 0.914,526 1.398,527 0.783,528 0.788,529 0.752,530 1.548,531 0.907,532 0.549,533 1.007,534 0.75,535 0.945,536 0.653,537 1.005,538 1.905,539 0.838,540 1.452,541 0.927,542 2.29,543 0.965,544 5,545 0.058,546 2.222,547 1.354,548 1.111,549 0.518,550 0.354,551 0.205,552 0.156,553 0.095,554 3997,555 11035,556 2.077,557 39.4,558 3,559 7,563 3,567 1.614,568 1.935,569 3.201,570 -0.787,572 1,575 52.359,576 1.587,577 3.323,578 3.858,579 4.514,580 4.514,581 4.514,582 2.709,583 3.784,584 4.295,585 3.299,586 626.785,587 7.315,588 6400.78,590 1,591 1,592 1,593 166.465,594 1.441,595 4.248,596 0.227,597 0.01,598 0.072,599 0.048,600 0.05,601 0.026,602 0.02,603 0.013,604 0.012,605 0.01,606 0.487,607 0.67,608 1,609 0.627,610 89.058,611 -0.007,612 -0.052,613 0.065,614 0.018,615 -0.081,616 0.02,617 0.273,618 -0.033,619 0.224,620 0.086,621 0.193,622 0.119,623 -0.158,624 -0.129,625 -0.27,626 -0.229,627 -0.029,628 -0.193,629 -0.196,630 -0.03,631 -0.079,632 -0.026,633 -0.105,634 -0.072,635 -0.013,636 -0.087,637 0.11,638 -0.095,639 -0.094,640 0.037,641 0.058,642 0.141,643 -0.011,644 0.089,645 -0.042,646 -0.001,647 0.072,648 -0.094,649 0.121,650 -0.012,651 0.1,652 -0.011,653 -0.439,654 0.16,655 -0.26,656 0.169,657 -0.458,658 0.013,659 2.012,660 5.111,661 0.75,662 14,663 1.004,664 1.101,665 3.374,666 11.384,667 0.731,668 3.135,669 3.466,670 3.689,671 3.932,672 4.127,673 4.094,674 4.205,675 4.263,676 4.111,677 4.111,678 5.346,679 0.691,680 283.37,681 3.135,682 4.673,683 5.509,684 6.382,685 7.236,686 8.109,687 8.972,688 9.845,689 10.712,690 11.585,691 3,701 1,708 2,709 7,710 1,713 1,714 4,716 16,726 1,738 33,739 17,740 2,741 22,743 35,744 16,745 13,746 5,747 7,748 1,752 3,753 4,759 2,768 14,769 2,772 1,778 1,782 1,786 1,789 13,790 3,792 4,793 1,797 1,803 0.667,804 2,822 1,823 2,826 1,855 2,857 1,859 2,862 20,872 1,879 1,886 6.1,889 1,891 1,893 10.333,894 6.783,895 4.306,896 1.933,898 3.007,899 1.453,900 1.002,901 3.431,902 9.647,903 3.466,904 4.123,905 4.715,906 5.322,907 5.844,908 6.072,909 6.467,910 6.797,911 6.694,912 6.945,913 1,914 28,915 7.374,917 3.114,918 7.75,919 14.015,921 11.337,924 2.25,925 45,926 0.001,929 153.024,930 137.887,931 16.786,933 36.145,935 31.278,936 106.61,937 189.169,938 16.786,939 17.65,941 66.334,942 50.051,943 24.759,944 0.746,945 184.302,947 153.024,948 123.395,949 36.145,950 31.278,952 153.024,953 36.145,956 20.724,957 85.885,958 16.786,959 31.278,960 153.024,961 52.93,962 137.887,965 153.024,966 53.903,967 83.984,969 52.93,970 153.024,971 52.93,972 137.887,973 0.589,974 0.332,975 0.173,976 0.098,977 16,978 7,979 0.086,980 3,981 1,982 1.133,983 3.3,984 148.113,985 0.133,986 15,987 82.439,989 1,993 13.104,994 5.237,995 2.845,996 1.917,997 52.93,998 12.848,999 4.374,1002 1.573,1003 3.221,1006 343.842,1007 31,1013 12.111,1017 -0.346,1020 33.134,1021 36.328,1022 0.315,1023 0.659,1024 0.765,1025 0.895,1026 0.895,1027 0.895,1028 4.682,1029 1,1030 5.501,1031 3.284,1032 4.143,1033 4.808,1034 1.888,1035 6.279,1036 4.041,1037 5.916,1038 0.412,1039 7.041,1040 2.275,1041 3.761,1042 4.677,1044 7.066,1045 3.609,1046 7.231,1047 0.066,1048 8.672,1049 1.08,1050 5.714,1051 7.074,1052 2.817,1053 10.12,1054 5.514,1055 8.58,1056 -0.509,1057 10.353,1058 0.149,1059 6.089,1060 7.735,1062 11.701,1063 5.83,1064 9.955,1065 -0.665,1066 12.065,1067 -1.31,1068 7.543,1069 9.62,1070 3.808,1071 14.262,1072 7.25,1073 11.35,1074 -0.843,1075 13.8,1076 -1.608,1077 8.278,1078 10.678,1080 16.2,1081 7.917,1082 12.761,1083 -1,1084 15.552,1085 -2.211,1086 9.52,1087 12.337,1088 4.825,1089 18.57,1090 9.127,1091 3.04,1092 -1,1093 17.317,1094 -2.931,1095 10.433,1096 13.603,1098 20.675,1099 9.971,1100 2.742,1101 9.646,1102 19.093,1103 -3,1104 11.583,1105 15.16,1106 5.851,1107 22.97,1108 11.085,1109 2.509,1110 8.453,1111 20.878,1112 4.441,1113 12.586,1114 16.535,1116 25.152,1117 12.021,1118 2.076,1119 7.045,1120 22.669,1121 3.651,1122 13.697,1123 18.047,1124 6.88,1125 27.418,1126 13.092,1127 1.889,1128 5.721,1129 24.467,1130 3.426,1131 14.745,1132 19.477,1134 29.638,1135 14.076,1136 1.521,1137 5.266,1138 26.269,1139 2.729,1140 15.843,1141 20.971,1142 7.91,1143 31.894,1144 15.129,1145 1.24,1146 4.35,1147 28.076,1148 2.558,1149 16.914,1150 22.429,1152 34.132,1153 16.14,1154 3869,1155 6570,1156 14.622,1157 24.131,1158 33.436,1159 34.267,1160 34.073,1161 32.993,1162 32.988,1163 46.081,1164 3.349,1165 94.538,1166 31.29,1167 5.324,1168 5.686,1169 5.72,1170 5.092,1171 5.04,1172 7.441,1173 3.349,1174 16.097,1175 4.887,1176 9.479,1177 1.52,1178 1.558,1179 1.549,1180 1.5,1181 1.499,1182 2.095,1183 0.152,1184 4.297,1185 1.422,1186 4.069,1187 4.08,1188 4.32,1189 4.059,1190 7.433,1191 4.017,1192 3.908,1193 3.932,1194 3.859,1195 3.843,1196 4.957,1197 3.838,1198 3.517,1199 3.536,1200 3.593,1201 3.43,1202 4.812,1203 3.399,1204 3.238,1205 3.288,1206 3.169,1207 3.058,1208 4.31,1209 3.059,1210 3.066,1211 3.125,1212 2.933,1213 2.891,1214 4.157,1215 2.888,1216 2.89,1217 2.945,1218 2.842,1219 2.808,1220 3.721,1221 2.76,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.681,1229 2.734,1230 2.525,1231 2.406,1232 3.627,1233 2.431,1234 0.205,1235 0.168,1236 0.287,1237 0.181,1238 0.138,1239 4.5,1240 0.202,1241 3.686,1242 0.076,1243 6.305,1244 0.438,1245 3.984,1246 0.131,1247 3.04,1248 4.441,1249 1.674,1250 9.646,1251 2.887,1252 1.929,1253 1.917,1254 2.029,1255 2.018,1256 1.133,1257 2.02,1258 1.884,1259 1.862,1260 1.966,1261 1.954,1262 1.109,1263 1.968,1264 1.481,1265 1.444,1266 1.672,1267 1.629,1268 0.792,1269 1.671,1270 1.235,1271 1.21,1272 1.527,1273 1.468,1274 0.589,1275 1.477,1276 1.067,1277 1.034,1278 1.192,1279 1.283,1280 0.264,1281 1.26,1282 0.91,1283 0.854,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.06,1291 1.035,1292 0.208,1293 1.095,1294 0.58,1295 0.524,1296 0.836,1297 0.874,1299 0.86,1300 3.807,1302 5.13,1303 2.398,1304 6.632,1305 4.727,1306 8.213,1307 6.804,1308 9.836,1310 3.945,1318 5.356,1326 22.799,1327 52.359,1328 109.652,1329 127.304,1330 148.955,1331 148.955,1332 148.955,1333 26.565,1334 6.64,1335 39.19,1336 67.43,1337 17,1338 12.127,1339 4.17,1340 3.322,1341 30.12,1342 64,1343 64,1344 0.233,1345 144.566,1346 241.55,1347 344.502,1348 6050,1350 14.113,1351 0.706,1352 0.601,1353 14.466,1354 12.03,1355 9.614,1356 0.437,1357 0.322,1358 6.292,1359 8.873,1360 5.975,1361 4.995,1362 10.022,1363 7.094,1364 9.009,1365 0.291,1366 0.189,1367 9.737,1368 5.853,1369 7.236,1370 0.186,1371 0.1,1372 7.922,1373 3.896,1374 5.892,1375 0.118,1376 0.056,1377 6.664,1378 2.805,1379 4.788,1380 0.078,1381 0.031,1382 5.446,1383 1.88,1384 0.365,1385 63.57,1386 0.262,1387 20.029,1388 0.64,1389 106,1390 319.977,1391 140.765,1392 331.064,1393 455.24,1394 310,1395 123,1396 323.469,1397 151.3,1398 343.583,1399 501.63,1400 323,1401 6.133}
{0 CHEMBL1545374,1 1.614,2 10.75,3 2.331,4 5.434,5 95.362,6 7.795,7 0.615,8 3.857,9 4.006,10 3.457,11 3.316,12 5.077,13 3.323,14 4.327,15 4.525,16 3.814,17 3.663,18 5.475,19 3.663,20 4.48,21 4.686,22 3.826,23 3.751,24 5.71,25 3.737,26 4.607,27 4.842,28 3.656,29 3.812,30 5.68,31 3.724,32 4.536,33 4.788,34 3.534,35 3.747,36 5.511,37 3.63,38 4.57,39 4.863,40 3.436,41 3.635,42 5.492,43 3.513,44 4.336,45 4.606,46 3.488,47 3.389,48 5.465,49 3.349,50 4.22,51 4.474,52 3.355,53 3.25,54 5.46,55 3.247,56 0.134,57 0.756,58 8.217,59 3.2,60 11.227,61 4.348,62 0.239,63 1.122,64 14.944,65 5.07,66 17.193,67 7.278,68 0.443,69 1.26,70 17.948,71 5.347,72 34.773,73 7.384,74 0.412,75 1.236,76 21.414,77 6.861,78 43.296,79 9.934,80 0.336,81 1.089,82 20.485,83 6.976,84 27.961,85 10.553,86 0.337,87 1.047,88 23.312,89 6.937,90 37.438,91 10.869,92 0.286,93 0.981,94 17.874,95 5.037,96 28.105,97 7.59,98 0.469,99 0.889,100 16.307,101 3.64,102 54.329,103 4.949,104 26,105 37,106 0.282,107 0.654,108 0.741,109 0.816,110 0.841,111 0.841,112 3.228,113 0.852,114 -5.4,115 -5.28,116 -4.93,120 38.1,121 3,143 5,144 1,145 2,153 2,156 1,162 1,163 1,164 1,165 1,166 1,167 1,169 1,170 2,174 3,176 2,177 9,180 2,185 4,188 2,189 4,191 2,192 3,193 1,194 2,196 1,197 4,199 1,200 2,201 1,203 1,204 1,206 2,209 9,214 4,217 1,219 1,222 8,227 5,232 2,237 1,239 2,240 5,245 3,247 1,249 1,251 1,252 3,254 1,255 1,257 3,260 1,262 1,264 6,269 1,271 1,273 1,274 824,275 15.845,276 15.845,277 15.845,278 15.845,279 15.845,280 13.495,281 16.658,282 9.107,283 16.265,284 12.746,285 12.746,286 12.746,287 12.746,288 12.746,289 9.364,290 13.588,291 4.269,292 13.433,293 3.779,294 1.647,295 1.146,296 0.721,297 0.578,298 0.578,299 3.902,305 1,306 1,307 1,308 548,309 2.739,312 146.571,313 82.099,320 1.771,321 20.054,323 1,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 53,333 258,334 4.595,335 3.378,336 6.856,337 4.179,338 3.227,339 4.342,341 11.31,342 3.074,343 4.354,344 3.086,345 6.359,346 3.905,347 2.982,348 4.034,350 9.479,351 2.752,352 3.956,353 2.895,354 5.737,355 3.516,356 2.544,357 3.546,359 7.662,360 2.469,361 3.558,362 2.509,363 5.129,364 3.143,365 2.197,366 2.88,368 6.14,369 2.064,370 3.231,371 2.176,372 4.945,373 2.842,374 1.907,375 2.441,377 5.387,378 1.78,379 3.141,380 2.088,381 4.853,382 2.778,383 1.81,384 2.329,386 5.163,387 1.741,388 2.876,389 1.792,390 4.478,391 2.403,392 1.445,393 1.954,395 4.028,396 1.379,397 2.566,398 1.247,399 3.855,400 2.128,401 1.167,402 1.592,404 2.85,405 1.119,406 2.5,407 1.155,408 3.492,409 2,410 1,411 1.5,413 2.359,414 1,415 2.488,416 1,417 3.414,418 1.956,419 0.998,420 1.394,422 2.275,423 0.952,424 1.424,425 0.629,426 2.944,427 1.178,428 0.22,429 0.254,431 0.523,432 0.209,433 1.254,434 0.43,435 2.607,436 0.954,442 0.831,443 0.053,444 2.286,445 0.582,446 -0.386,447 -0.453,449 -0.899,450 -0.365,451 0.715,452 -0.246,453 2,454 0.43,455 -0.507,456 -0.597,458 -1.163,459 -0.475,460 0.5,461 -0.527,462 2,463 0.098,464 -0.869,465 -1.102,467 -2.131,468 -0.838,469 11.086,470 0.462,471 0.703,472 0.029,473 32,474 1.333,475 16.5,476 0.688,477 15.5,478 0.646,479 18.17,480 0.757,481 26.114,482 0.622,483 22.862,484 0.953,485 6.695,486 0.279,487 4.774,488 0.199,489 0.197,491 0.388,494 1,496 0.668,497 1.124,498 0.743,499 1.057,500 0.67,501 0.94,502 0.685,503 1.113,504 0.637,505 0.955,506 0.55,507 0.814,508 1.197,509 0.96,510 1.115,511 0.924,512 0.973,513 0.979,514 0.94,515 0.939,516 1.224,517 1.16,518 0.89,519 1.235,520 0.489,521 0.808,522 0.988,523 1.133,524 0.432,525 1.164,526 0.66,527 0.883,528 0.846,529 0.967,530 0.589,531 0.948,532 0.97,533 1.241,534 0.751,535 1.017,536 0.929,537 0.871,538 2.233,539 1.296,540 1.333,541 0.809,542 2.478,543 0.867,544 5,545 0.085,546 3.556,547 2.708,548 1.202,549 0.667,550 0.466,551 0.332,552 0.268,553 0.175,554 6562,555 20126,556 2.015,557 42.9,559 5,561 1,562 3,563 9,567 1.665,568 1.846,569 3.363,570 1.08,571 1,572 1,574 1,575 67.767,576 1.614,577 3.746,578 4.246,579 4.672,580 4.815,581 4.815,582 2.907,583 4.335,584 4.556,585 3.547,586 978.967,587 7.844,588 11703.3,589 1,590 1,592 1,593 226.477,594 1.528,595 4.493,596 0.192,597 0.006,598 0.096,599 0.075,600 0.041,601 0.026,602 0.02,603 0.014,604 0.013,605 0.01,606 0.494,607 0.17,608 1,609 0.663,610 115.273,611 0.059,612 -0.002,613 0.047,614 -0.018,615 -0.078,616 0.001,617 0.103,618 -0.09,619 0.239,620 0.053,621 0.084,622 0.15,623 -0.132,624 0.163,625 -0.206,626 0.022,627 -0.025,628 -0.085,629 -0.131,630 0.019,631 -0.309,632 -0.17,633 -0.13,634 -0.261,635 0.075,636 0.014,637 -0.078,638 -0.106,640 -0.124,641 0.023,642 -0.125,643 0.149,644 0.023,645 0.023,646 0.1,647 0.067,648 -0.302,649 0.274,650 -0.053,651 0.12,652 0.118,653 -0.423,654 0.022,655 -0.236,656 0.1,657 -0.401,659 1.923,660 5.109,661 0.667,662 21.389,663 1.013,664 1.15,665 4.168,666 17.37,667 0.656,668 3.296,669 3.638,670 3.912,671 4.127,672 4.19,673 4.159,674 4.263,675 4.29,676 4.357,677 4.407,678 6.298,679 0.636,680 327.41,681 3.296,682 4.844,683 5.7,684 6.581,685 7.452,686 8.335,687 9.213,688 10.098,689 10.979,690 11.866,691 16.7,695 1,696 1,699 2,700 1,701 2,709 5,710 2,714 7,715 2,716 16,737 1,738 42,739 17,740 1,741 26,743 44,744 16,745 12,746 2,747 4,748 1,752 3,753 3,755 1,759 3,768 13,769 3,772 1,780 1,781 1,785 1,786 1,787 1,789 18,790 6,791 3,792 8,797 7,803 1,818 1,822 2,823 1,855 3,859 3,861 1,862 24,863 1,871 1,883 1,885 1,893 13,894 8.476,895 5.25,896 2.29,898 3.305,899 1.48,900 0.992,901 4.469,902 10.194,903 3.584,904 4.234,905 4.828,906 5.392,907 5.725,908 5.946,909 6.341,910 6.675,911 7.041,912 7.36,913 1,914 36,915 8.772,917 3.641,918 7.882,919 16.418,921 12.934,924 2.382,925 57.167,928 1,929 176.567,930 107.708,931 104.328,934 14.96,936 107.708,937 176.567,938 119.288,939 26.476,941 80.156,942 74.361,943 37.301,944 20.474,945 164.795,947 176.567,948 212.036,949 14.96,952 191.527,956 51.041,957 100.733,958 60.262,960 191.527,961 104.328,962 107.708,965 176.567,966 24.804,967 86.58,968 17.888,969 97.724,970 176.567,971 119.288,972 107.708,973 0.593,974 0.356,975 0.182,976 0.087,977 18,978 9,979 0.091,980 4,982 1,983 3.614,984 189.413,986 16,987 106.039,993 16.367,994 6.553,995 3.256,997 115.612,998 8.379,999 7.711,1003 4.542,1004 3.357,1005 50.663,1006 403.562,1007 35,1015 1.687,1016 4.157,1020 42.527,1021 48.319,1022 0.299,1023 0.695,1024 0.787,1025 0.866,1026 0.893,1027 0.893,1028 4.82,1029 1.167,1030 5.707,1031 4.028,1032 4.317,1033 4.92,1035 6.538,1036 4.216,1037 6.061,1038 1,1039 7.291,1040 2.85,1041 4.007,1042 4.808,1044 7.503,1045 3.826,1046 7.387,1047 0.998,1048 8.975,1049 2.359,1050 5.938,1051 7.165,1053 10.61,1054 5.726,1055 8.752,1056 0.22,1057 10.717,1058 2.275,1059 6.447,1060 7.889,1062 12.426,1063 6.152,1064 10.148,1066 12.497,1067 0.523,1068 7.873,1069 9.708,1071 15.064,1072 7.546,1073 11.567,1074 -0.386,1075 14.304,1077 8.744,1078 10.814,1080 17.228,1081 8.341,1082 13.005,1083 -0.507,1084 16.131,1085 -0.899,1086 9.986,1087 12.415,1089 19.711,1090 9.545,1091 3.227,1092 -0.869,1093 17.974,1094 -1.163,1095 11.015,1096 13.7,1098 22.019,1099 10.505,1100 2.982,1101 11.31,1102 19.83,1103 -2.131,1104 12.192,1105 15.208,1107 24.451,1108 11.639,1109 2.544,1110 9.479,1111 21.696,1112 4.342,1113 13.288,1114 16.578,1116 26.82,1117 12.675,1118 2.197,1119 7.662,1120 23.57,1121 4.034,1122 14.444,1123 18.048,1125 29.237,1126 13.784,1127 1.907,1128 6.14,1129 25.451,1130 3.546,1131 15.571,1132 19.458,1134 31.632,1135 14.856,1136 1.81,1137 5.387,1138 27.337,1139 2.88,1140 16.722,1141 20.914,1143 34.047,1144 15.959,1145 1.445,1146 5.163,1147 29.228,1148 2.441,1149 17.863,1150 22.344,1152 36.455,1153 17.049,1154 6415,1155 11371,1156 16.819,1157 27.546,1158 39.764,1159 39.923,1160 41.507,1161 39.07,1162 38.998,1163 52.534,1165 114.353,1166 37.077,1167 5.321,1168 5.378,1169 6.391,1170 5.236,1171 5.227,1172 7.342,1174 18.449,1175 5.074,1176 13.896,1177 1.529,1178 1.536,1179 1.596,1180 1.503,1181 1.5,1182 2.021,1184 4.398,1185 1.426,1186 4.077,1187 4.119,1188 4.04,1189 3.965,1190 8.201,1191 3.978,1192 3.909,1193 3.992,1194 3.882,1195 3.709,1196 5.267,1197 3.713,1198 3.783,1199 3.816,1200 3.729,1201 3.614,1202 4.882,1203 3.667,1204 3.32,1205 3.413,1206 3.231,1207 3.092,1208 4.753,1209 3.101,1210 3.183,1211 3.282,1212 2.951,1213 2.978,1214 4.616,1215 2.968,1216 3.033,1217 3.148,1218 2.856,1219 2.801,1220 4.411,1221 2.797,1222 2.893,1223 2.981,1224 2.759,1225 2.735,1226 3.865,1227 2.715,1228 2.854,1229 2.96,1230 2.687,1231 2.697,1232 3.804,1233 2.701,1234 0.177,1235 0.13,1236 0.264,1237 0.161,1238 0.124,1239 4.595,1240 0.167,1241 3.378,1243 6.856,1244 0.435,1245 4.179,1246 0.118,1247 3.227,1248 4.342,1250 11.31,1251 3.074,1252 1.909,1253 1.879,1254 2.005,1255 2.027,1256 1.116,1257 2.022,1258 1.664,1259 1.625,1260 1.81,1261 1.882,1262 0.925,1263 1.844,1264 1.548,1265 1.483,1266 1.749,1267 1.767,1268 0.845,1269 1.768,1270 1.537,1271 1.469,1272 1.743,1273 1.716,1274 0.809,1275 1.727,1276 1.284,1277 1.192,1278 1.493,1279 1.596,1280 0.464,1281 1.576,1282 1.049,1283 0.949,1284 1.355,1285 1.362,1286 0.329,1287 1.371,1288 0.886,1289 0.821,1290 1.181,1291 1.176,1292 0.218,1293 1.18,1294 0.843,1295 0.775,1296 1.131,1297 1.102,1298 0.195,1299 1.107,1300 3.97,1302 5.303,1303 3.045,1304 6.815,1305 5.476,1306 8.404,1307 7.582,1308 10.036,1310 5.715,1312 13.109,1313 5.749,1317 2.76,1326 26.694,1327 67.767,1328 157.319,1329 178.338,1330 196.213,1331 202.213,1332 202.213,1333 36.721,1334 6.889,1335 86.05,1336 86.05,1337 16,1338 12.398,1339 4.17,1340 3.322,1341 39.469,1342 90,1343 85,1344 0.214,1345 167.407,1346 277.53,1347 400.233,1348 8458,1349 2.4,1350 17.267,1351 0.719,1352 0.569,1353 16.397,1354 13.655,1355 11.469,1356 0.441,1357 0.284,1358 7.242,1359 10.849,1360 6.975,1361 5.867,1362 11.075,1363 7.382,1364 10.534,1365 0.285,1366 0.147,1367 9.912,1368 5.449,1369 9.071,1370 0.185,1371 0.077,1372 8.66,1373 3.79,1374 7.144,1375 0.117,1376 0.041,1377 6.992,1378 2.511,1379 5.082,1380 0.078,1381 0.022,1382 4.846,1383 1.433,1384 0.339,1385 72.954,1386 0.244,1387 23.659,1388 0.577,1389 126,1390 427.982,1391 143.125,1392 395.565,1393 542.35,1394 368,1395 149,1396 419.124,1397 166.869,1398 415.848,1399 598.46,1400 389,1401 4.528}
{0 CHEMBL1545427,1 1.904,2 10.5,3 2.603,4 6.775,5 92.671,6 10.091,7 0.393,8 3.769,9 3.837,10 3.612,11 3.33,12 5.144,13 3.347,14 4.234,15 4.319,16 4.025,17 3.704,18 5.757,19 3.708,20 4.406,21 4.502,22 4.077,23 3.76,24 5.865,25 3.788,26 4.462,27 4.568,28 4.023,29 3.716,30 6.216,31 3.75,32 4.426,33 4.572,34 3.971,35 3.67,36 5.875,37 3.673,38 4.35,39 4.493,40 3.807,41 3.544,42 5.799,43 3.564,44 4.177,45 4.293,46 3.819,47 3.411,48 5.759,49 3.442,50 4.128,51 4.21,52 3.756,53 3.319,54 6.099,55 3.353,56 0.267,57 0.554,58 3.398,59 3.146,60 24.315,61 2.646,62 0.592,63 0.852,64 8.447,65 5.293,66 69.668,67 4.64,68 0.615,69 0.978,70 14.587,71 6.776,72 83.345,73 5.15,74 0.936,75 0.958,76 11.23,77 6.245,78 149.817,79 5.185,80 0.744,81 0.957,82 16.304,83 6.676,84 108.315,85 6.25,86 0.758,87 0.864,88 14.479,89 6.064,90 119.693,91 5.089,92 0.732,93 0.731,94 10.75,95 4.861,96 85.41,97 4.02,98 0.822,99 0.659,100 11.136,101 4.909,102 146.167,103 3.928,104 41,105 40,106 0.336,107 0.688,108 0.786,109 0.85,110 0.85,111 0.85,112 3.304,113 0.859,114 -2.97,115 -2.97,116 -2.87,120 43.2,125 1,136 1,137 1,143 6,145 2,153 1,154 1,159 2,160 1,167 2,174 4,176 3,177 9,180 3,182 1,185 6,189 12,194 1,197 5,200 4,201 8,204 1,206 2,209 3,213 1,214 14,219 4,222 4,227 7,232 1,235 2,239 5,240 5,243 2,247 4,251 6,252 2,255 2,260 6,263 2,264 2,271 2,274 1010,275 17.162,276 17.162,277 17.162,278 17.162,279 17.162,280 15.069,281 21.265,282 9.812,283 17.67,284 13.691,285 13.691,286 13.691,287 13.691,288 13.691,289 10.298,290 23.949,291 4.532,292 14.412,293 3.306,294 1.315,295 0.764,296 0.399,297 0.399,298 0.399,299 3.978,305 1,306 1,307 1,308 573,309 3.082,312 75.209,313 175.237,320 1.692,321 49.649,323 1,324 1,325 0.83,326 1,327 0.4,329 0.83,330 1,331 0.72,332 59.5,333 273,334 4.516,335 3.991,336 6.891,337 4.221,338 3.247,339 4.062,340 2.612,341 11.427,342 3.159,343 4.302,344 3.781,345 6.143,346 3.77,347 2.86,348 3.883,349 1.735,350 8.916,351 2.649,352 4.062,353 3.407,354 5.98,355 3.634,356 2.664,357 3.602,358 1.101,359 8.417,360 2.521,361 3.781,362 3.309,363 5.359,364 3.361,365 2.408,366 3.17,367 0.941,368 6.897,369 2.285,370 3.601,371 2.856,372 5.183,373 3.113,374 2.158,375 2.934,376 0.86,377 6.291,378 2.05,379 3.394,380 2.578,381 5.078,382 2.972,383 1.976,384 2.56,385 0.113,386 5.728,387 1.94,388 3.18,389 2.441,390 4.886,391 2.74,392 1.739,393 2.334,395 5.086,396 1.721,397 2.797,398 1.776,399 3.76,400 2.144,401 1.159,402 1.803,404 2.789,405 1.132,406 2.5,407 1.313,408 3.461,409 2,410 1,411 1.5,413 2.275,414 1,415 2.315,416 1.291,417 3.414,418 1.623,419 0.669,420 1.027,422 1.64,423 0.615,424 2.159,425 1,426 3.257,427 1.523,428 0.618,429 0.879,431 1.491,432 0.546,433 1.804,434 1,435 3.248,436 1.434,437 0.503,438 0.637,440 0.959,441 0.461,442 1.423,443 0.914,444 2.709,445 1.048,446 0.068,447 0.086,449 0.148,450 0.066,451 1,452 0.768,453 2.593,454 0.533,455 -0.5,456 -0.626,458 -1.205,459 -0.494,460 1,461 0.707,462 2.197,463 0.334,464 -0.655,465 -0.807,467 -1.485,468 -0.618,469 12.033,470 0.463,471 0.771,472 0.03,473 37.25,474 1.433,475 20,476 0.769,477 17.25,478 0.663,479 17.278,480 0.665,481 27.567,482 0.745,483 30.424,484 1.17,485 7.629,486 0.293,487 4.772,488 0.184,489 0.18,491 0.399,496 0.58,497 1.121,498 0.621,499 0.858,500 0.534,501 0.796,502 0.612,503 0.924,504 0.728,505 0.838,506 0.517,507 0.798,508 1.007,509 1.291,510 1.117,511 1.313,512 0.884,513 1.049,514 0.951,515 0.995,516 0.823,517 0.883,518 0.911,519 1.012,520 0.92,521 1.087,522 0.836,523 1.056,524 1.013,525 0.993,526 1.237,527 1.081,528 1.002,529 0.931,530 1.244,531 0.951,532 0.896,533 0.685,534 0.837,535 0.827,536 1.065,537 0.841,538 0.855,539 0.983,540 1.147,541 1.109,542 0.893,543 1.056,544 6,545 0.079,546 3.333,547 2.41,548 2.068,549 0.875,550 0.874,551 0.48,552 0.262,553 0.248,554 7269,555 30825,556 1.992,557 29.7,559 10,562 1,567 1.693,568 1.814,569 3.338,570 -0.18,571 1,572 1,575 70.431,576 1.904,577 3.894,578 4.446,579 4.811,580 4.811,581 4.811,582 2.888,583 4.21,584 4.667,585 3.489,586 1134.04,587 8.105,588 13891.3,589 1,590 1,591 1,592 1,593 192.75,594 1.549,595 4.601,596 0.214,597 0.006,598 0.083,599 0.057,600 0.052,601 0.025,602 0.027,603 0.016,604 0.009,605 0.015,606 0.505,607 0.33,608 1,609 0.954,610 126.323,611 0.045,612 -0.019,613 0.039,614 0.047,615 -0.033,616 0.01,617 0.16,618 0.136,619 0.119,620 0.145,621 0.116,622 0.084,623 -0.175,624 -0.257,625 -0.128,626 -0.265,627 -0.09,628 -0.122,629 0.034,630 -0.032,631 -0.051,632 -0.028,633 0.127,634 -0.115,635 -0.062,636 -0.136,637 0.175,638 -0.07,639 -0.099,640 0.061,641 -0.273,642 -0.127,643 -0.037,644 0.007,645 -0.222,646 0.055,647 0.138,648 0.327,649 0.119,650 0.12,651 -0.068,652 0.085,653 0.325,654 -0.005,655 -0.088,656 -0.071,657 0.381,658 -0.151,659 2.567,660 5.662,661 0.654,662 23.296,663 1.051,664 1.117,665 1.738,666 3.022,667 0.715,668 3.367,669 3.714,670 3.989,671 4.234,672 4.407,673 4.5,674 4.585,675 4.682,676 4.682,677 4.736,678 6.071,679 0.72,680 373.37,681 3.367,682 4.92,683 5.778,684 6.666,685 7.542,686 8.434,687 9.318,688 10.213,689 11.101,690 11.998,691 8.1,698 2,702 1,709 6,713 1,714 4,716 11,731 1,735 1,738 37,739 17,740 1,741 28,743 39,744 16,745 10,746 2,747 4,748 4,752 3,753 3,757 1,768 15,769 1,772 6,775 1,778 5,780 1,782 4,785 1,786 1,789 11,790 8,791 1,792 10,793 1,797 3,800 2,803 1,804 6,822 1,823 2,845 1,846 1,855 3,857 1,859 1,862 26,871 1,872 1,875 1,880 1,886 16.2,889 3,891 1,892 2,893 14.333,894 7.15,895 5.75,896 1.933,898 2.581,899 1.363,900 0.964,901 5.044,902 9.689,903 3.701,904 4.287,905 4.813,906 5.33,907 5.725,908 6.029,909 6.328,910 6.687,911 6.788,912 7.054,913 1,914 42,915 9.661,917 4.308,918 8.429,919 17.063,921 13.601,924 2.929,925 76.167,929 117.711,930 135.653,931 26.805,933 137.182,935 31.278,936 104.376,937 254.893,938 26.805,939 16.553,940 21.135,941 66.334,942 84.844,943 23.115,944 5.634,945 148.989,946 50.747,947 117.711,948 131.181,949 137.182,950 31.278,952 117.711,953 86.435,954 50.747,956 22.065,957 93.97,958 15.146,959 31.278,960 117.711,961 163.987,962 135.653,965 117.711,966 58.437,967 86.011,968 18.011,969 137.182,970 117.711,971 163.987,972 135.653,973 0.59,974 0.354,975 0.184,976 0.095,977 19,978 10,979 0.103,980 4,982 1,983 3.65,984 218.661,986 17,987 114.211,989 1,993 18.075,994 7.255,995 3.63,997 158.317,998 8.829,1002 0.814,1003 1.017,1005 18.011,1006 417.351,1007 39.5,1010 -0.567,1013 58.299,1015 1.221,1017 -2.85,1020 38.88,1021 41.332,1022 0.365,1023 0.747,1024 0.853,1025 0.923,1026 0.923,1027 0.923,1028 4.947,1029 1.159,1030 5.79,1031 5.086,1032 4.394,1033 4.973,1034 3.134,1035 6.629,1036 4.305,1037 6.176,1038 1,1039 7.377,1040 2.789,1041 4.111,1042 4.89,1043 2.587,1044 7.603,1045 3.984,1046 7.5,1047 0.669,1048 9.062,1049 2.275,1050 6.023,1051 7.143,1052 4.403,1053 10.701,1054 5.843,1055 8.857,1056 0.618,1057 10.802,1058 1.64,1059 6.524,1060 7.831,1061 4.626,1062 12.484,1063 6.301,1064 10.24,1065 0.503,1066 12.577,1067 1.491,1068 7.939,1069 9.572,1070 6.044,1071 15.131,1072 7.678,1073 11.642,1074 0.068,1075 14.378,1076 0.959,1077 8.786,1078 10.6,1079 6.611,1080 17.267,1081 8.488,1082 13.059,1083 -0.5,1084 16.197,1085 0.148,1086 10.022,1087 12.142,1088 7.834,1089 19.766,1090 9.693,1091 3.247,1092 -0.655,1093 18.033,1094 -1.205,1095 11.03,1096 13.335,1097 8.573,1098 22.063,1099 10.672,1100 2.86,1101 11.427,1102 19.88,1103 -1.485,1104 12.203,1105 14.79,1106 9.687,1107 24.513,1108 11.818,1109 2.664,1110 8.916,1111 21.739,1112 4.062,1113 13.287,1114 16.067,1115 10.52,1116 26.883,1117 12.878,1118 2.408,1119 8.417,1120 23.607,1121 3.883,1122 14.442,1123 17.482,1124 11.571,1125 29.318,1126 14.01,1127 2.158,1128 6.897,1129 25.483,1130 3.602,1131 15.564,1132 18.805,1133 12.457,1134 31.721,1135 15.11,1136 1.976,1137 6.291,1138 27.365,1139 3.17,1140 16.716,1141 20.201,1142 13.471,1143 34.153,1144 16.241,1145 1.739,1146 5.728,1147 29.254,1148 2.934,1149 17.858,1150 21.55,1151 14.388,1152 36.572,1153 17.362,1154 7235,1155 15070,1156 17.918,1157 26.437,1158 42.99,1159 45.851,1160 44.75,1161 42.097,1162 42.139,1163 56.954,1164 14.725,1165 124.129,1166 40.291,1167 5.516,1168 5.991,1169 6.442,1170 5.323,1171 5.247,1172 7.062,1173 4.612,1174 18.96,1175 5.159,1176 15.91,1177 1.535,1178 1.638,1179 1.598,1180 1.503,1181 1.505,1182 2.034,1183 0.526,1184 4.433,1185 1.439,1186 4.017,1187 4.031,1188 4.286,1189 3.971,1190 7.815,1191 3.925,1192 3.92,1193 3.936,1194 3.921,1195 3.835,1196 7.462,1197 3.827,1198 3.74,1199 3.757,1200 3.711,1201 3.552,1202 7.412,1203 3.58,1204 3.429,1205 3.446,1206 3.474,1207 3.053,1208 7.411,1209 3.123,1210 3.257,1211 3.313,1212 3.17,1213 2.943,1214 6.999,1215 2.99,1216 3.127,1217 3.142,1218 3.088,1219 2.803,1220 4.865,1221 2.881,1222 3.034,1223 3.058,1224 2.94,1225 2.735,1226 4.632,1227 2.765,1228 2.854,1229 2.925,1230 2.687,1231 2.712,1232 4.377,1233 2.715,1234 0.161,1235 0.143,1236 0.246,1237 0.151,1238 0.116,1239 4.516,1240 0.145,1241 3.991,1242 0.093,1243 6.891,1244 0.408,1245 4.221,1246 0.113,1247 3.247,1248 4.062,1249 2.612,1250 11.427,1251 3.159,1252 1.902,1253 1.88,1254 1.993,1255 2.039,1256 1.083,1257 2.018,1258 1.728,1259 1.717,1260 1.792,1261 1.916,1262 0.904,1263 1.848,1264 1.56,1265 1.542,1266 1.624,1267 1.869,1268 0.678,1269 1.806,1270 1.375,1271 1.363,1272 1.564,1273 1.561,1274 0.578,1275 1.562,1276 1.187,1277 1.12,1278 1.341,1279 1.492,1280 0.461,1281 1.504,1282 0.965,1283 0.938,1284 1.181,1285 1.261,1286 0.218,1287 1.222,1288 0.886,1289 0.826,1290 1.084,1291 1.196,1292 0.128,1293 1.124,1294 0.857,1295 0.821,1296 0.997,1297 1.062,1299 1.107,1300 4.043,1302 5.38,1303 2.398,1304 6.907,1305 4.595,1306 8.524,1307 6.581,1308 10.191,1310 1.48,1317 2.085,1318 5.026,1321 0.814,1326 26.647,1327 70.431,1328 144.079,1329 164.485,1330 177.995,1331 177.995,1332 177.995,1333 73.864,1334 7.107,1335 126.98,1336 155.22,1337 17,1338 12.524,1339 4.17,1340 3.644,1341 44.238,1342 93,1343 106,1344 0.235,1345 168.285,1346 304.33,1347 402.375,1348 10419,1350 18.845,1351 0.725,1352 0.543,1353 19.198,1354 14.11,1355 12.401,1356 0.443,1357 0.286,1358 7.107,1359 11.198,1360 6.912,1361 5.717,1362 12.809,1363 8.018,1364 11.399,1365 0.285,1366 0.155,1367 12.067,1368 6.183,1369 9.557,1370 0.18,1371 0.085,1372 10.398,1373 4.495,1374 7.881,1375 0.116,1376 0.045,1377 8.611,1378 3.048,1379 5.741,1380 0.071,1381 0.023,1382 6.36,1383 1.846,1384 0.364,1385 84.143,1386 0.236,1387 24.895,1388 0.662,1389 136,1390 572.897,1391 183.178,1392 555.242,1393 724.97,1394 510,1395 161,1396 501.041,1397 203.941,1398 511.579,1399 746.06,1400 477,1401 5.068}
{0 CHEMBL1545632,1 1.6,2 8.857,3 4.898,4 23.992,5 108.352,6 8.177,7 0.344,8 3.991,9 4.082,10 3.693,11 3.634,12 5.062,13 3.592,14 4.561,15 4.701,16 4.118,17 4.069,18 5.592,19 4.001,20 4.86,21 5.057,22 4.224,23 4.204,24 5.863,25 4.108,26 4.878,27 5.078,28 4.278,29 4.128,30 6.124,31 4.066,32 4.779,33 4.956,34 4.182,35 4.117,36 5.942,37 4.062,38 4.829,39 4.98,40 4.167,41 4.179,42 5.998,43 4.101,44 4.836,45 4.997,46 4.069,47 4.15,48 5.962,49 4.051,50 4.786,51 4.973,52 3.821,53 4.065,54 5.815,55 3.926,56 0.016,57 0.654,58 8.824,59 4.7,60 5.548,61 5.535,62 0.173,63 1.174,64 18.74,65 8.411,66 16.314,67 10.166,68 0.287,69 1.544,70 30.288,71 12.063,72 31.16,73 14.58,74 0.616,75 1.616,76 34.036,77 11.205,78 86.902,79 13.19,80 0.428,81 1.431,82 27.435,83 10.161,84 50.641,85 11.801,86 0.372,87 1.475,88 31.719,89 11.71,90 60.869,91 12.221,92 0.52,93 1.417,94 31.447,95 11.949,96 69.463,97 12.907,98 0.344,99 1.322,100 29.068,101 11.813,102 56.642,103 13.648,104 5,105 46,106 0.269,107 0.6,108 0.731,109 0.829,110 0.856,111 0.856,112 3.376,113 0.987,114 -4.33,115 -4.26,116 -4.02,120 45.8,122 5,123 1,126 1,137 1,140 1,143 6,144 1,145 1,152 1,153 1,158 1,159 2,174 11,176 2,177 10,185 14,188 1,189 6,197 8,200 4,201 15,209 5,213 2,214 13,222 7,227 12,235 10,239 1,240 10,247 14,252 5,260 15,264 3,271 12,274 1096,275 19.413,276 19.413,277 19.413,278 19.413,279 19.413,280 17.477,281 16.979,282 11.477,283 19.68,284 15.828,285 15.828,286 15.828,287 15.828,288 15.828,289 12.745,290 20.01,291 5.48,292 16.293,293 3.985,294 2.018,295 1.239,296 0.656,297 0.5,298 0.5,299 4.088,306 1,307 1,308 557,309 2.449,312 57.77,313 237.578,317 189.637,320 1.316,321 32.854,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60,333 248,334 4.676,335 4.637,336 7.034,337 4.323,338 3.355,339 4.219,340 3.152,341 11.998,342 3.261,343 4.26,344 3.83,345 6.573,346 3.955,347 2.988,348 3.731,349 1.507,350 10.38,351 2.887,352 3.922,353 3.484,354 6.094,355 3.565,356 2.573,357 3.475,358 1.049,359 8.667,360 2.548,361 3.855,362 3.15,363 5.632,364 3.51,365 2.519,366 3.134,367 0.494,368 7.488,369 2.495,370 3.451,371 3.134,372 5.312,373 3.072,374 2.139,375 2.586,376 0.116,377 6.61,378 2.032,379 3.336,380 2.732,381 5.23,382 3.018,383 2.072,384 2.488,386 6.171,387 1.874,388 2.988,389 2.113,390 4.658,391 2.692,392 1.695,393 2.045,395 4.534,396 1.68,397 2.88,398 1.862,399 3.89,400 2.406,401 1.429,402 1.996,404 3.097,405 1.385,406 2.638,407 1.627,408 3.793,409 2.287,410 1.296,411 1.672,413 3.025,414 1.278,415 2.506,416 1.326,417 3.606,418 2.138,419 1.147,420 1.445,422 2.625,423 1.135,424 2.266,425 1.292,426 3.468,427 2,428 1,429 1.206,431 2.321,432 1,433 2.118,434 1.214,435 3.254,436 1.947,437 0.926,438 1,440 2.136,441 0.937,442 2,443 1.12,444 3.247,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 1.882,452 1,453 3.018,454 1.382,455 0.428,456 0.549,458 1.178,459 0.402,460 1.471,461 0.618,462 3,463 0.93,464 -0.094,465 -0.128,467 -0.241,468 -0.088,469 13.633,470 0.487,471 0.624,472 0.022,473 34.75,474 1.241,475 16.5,476 0.589,477 18.25,478 0.652,479 26.111,480 0.933,481 28.967,482 0.603,483 25.373,484 0.906,485 6.31,486 0.225,487 7.41,488 0.265,489 0.049,491 0.359,496 0.646,497 1.132,498 0.688,499 0.92,500 0.485,501 0.87,502 0.679,503 1.075,504 0.792,505 0.966,506 0.539,507 0.944,508 0.856,509 1.07,510 0.848,511 0.922,512 0.753,513 0.883,514 0.99,515 1.042,516 0.912,517 0.949,518 1.091,519 0.822,520 1.116,521 0.939,522 0.923,523 0.864,524 1.143,525 0.816,526 1.571,527 1.09,528 1.422,529 1.2,530 1.689,531 1.061,532 1.468,533 0.994,534 1.318,535 1.155,536 1.515,537 1.131,538 1.27,539 1.027,540 1.244,541 1.159,542 1.314,543 1.224,544 4,545 0.031,546 2.889,547 2.285,548 2.279,549 1.146,550 0.872,551 0.476,552 0.237,553 0.085,554 9127,555 22787,556 2.2,557 41.7,558 10,559 8,560 1,563 1,567 1.72,568 2.1,569 3.109,570 -0.778,575 76.777,576 1.6,577 3.567,578 4.346,579 4.929,580 5.085,581 5.085,582 2.513,583 4.236,584 4.778,585 3.259,586 1231.94,587 8.364,588 15473.2,590 1,593 268.078,594 1.264,595 4.757,596 0.125,597 0.003,598 0.063,599 0.047,600 0.047,601 0.023,602 0.019,603 0.012,604 0.007,605 0.004,606 0.349,607 0.33,608 0.88,609 0.444,610 136.171,611 -0.008,612 -0.097,613 0.074,614 0.008,615 0.015,616 0.025,617 0.078,618 -0.036,619 0.08,620 -0.014,621 0.036,622 -0.019,623 0.031,624 -0.06,625 0.154,626 0.07,627 0.041,628 0.096,629 0.194,630 0.048,631 0.174,632 0.036,633 0.22,634 0.113,635 0.032,636 0.124,637 0.05,638 0.083,639 0.034,640 0.103,641 -0.259,642 -0.046,643 -0.272,644 -0.129,645 -0.184,646 -0.134,647 -0.148,648 -0.024,649 -0.256,650 -0.123,651 -0.16,652 -0.184,653 -0.191,654 -0.115,655 -0.261,656 -0.156,657 -0.173,658 -0.233,659 1.922,660 6.471,661 0.893,662 23,663 1.004,664 1.11,665 3.099,666 9.606,667 0.706,668 3.497,669 3.85,670 4.205,671 4.543,672 4.82,673 4.997,674 5.231,675 5.425,676 5.583,677 5.624,678 5.491,679 0.669,680 392.51,681 3.497,682 5.056,683 5.943,684 6.849,685 7.755,686 8.672,687 9.588,688 10.511,689 11.433,690 12.36,691 4.2,698 1,700 1,709 7,712 1,714 3,716 11,721 1,738 48,739 15,740 1,741 32,743 52,744 22,745 10,746 2,747 4,748 5,752 5,753 8,763 5,764 1,766 5,768 15,769 7,770 1,772 4,778 2,781 1,782 5,788 1,789 20,790 5,792 6,793 1,797 2,799 1,803 0.6,804 3,822 1,823 4,827 2,839 1,846 1,855 3,856 1,857 1,862 28,869 6,873 1,874 1,875 1,886 6.3,889 2,891 1,893 13.333,894 8.733,895 6.056,896 3.224,898 2.532,899 1.316,900 1.023,901 4.636,902 10.541,903 3.75,904 4.314,905 4.906,906 5.461,907 5.889,908 6.234,909 6.656,910 7.047,911 7.395,912 7.644,913 0.833,914 49,915 10.493,917 4.721,918 7.714,919 20.225,921 17.616,924 2.214,925 62,928 1,929 235.422,930 142.254,931 19.91,933 59.797,935 32.22,936 110.034,937 295.219,938 19.91,940 17.903,941 68.597,942 62.456,943 35.337,944 17.22,945 255.87,947 235.422,948 129.944,949 59.797,950 32.22,952 235.422,953 59.797,956 34.688,957 95.256,959 32.22,960 235.422,961 79.707,962 142.254,965 235.422,966 73.657,967 71.721,969 76.583,970 235.422,971 79.707,972 142.254,973 0.583,974 0.356,975 0.207,976 0.112,977 25,978 10,979 0.058,980 3,981 2,982 1.16,983 3.881,984 269.518,985 0.16,986 25,987 130.606,989 1,993 17.813,994 7.288,995 3.155,997 79.707,998 12.684,1001 5.484,1003 2.136,1006 457.383,1007 41.5,1013 26.552,1016 4.891,1017 1.04,1020 48.214,1021 53.282,1022 0.286,1023 0.639,1024 0.778,1025 0.882,1026 0.91,1027 0.91,1028 5.016,1029 1.429,1030 5.932,1031 4.534,1032 4.533,1033 5.001,1034 3.31,1035 6.801,1036 4.476,1037 6.211,1038 1.296,1039 7.52,1040 3.097,1041 4.111,1042 4.732,1043 1.048,1044 7.801,1045 4.023,1046 7.524,1047 1.147,1048 9.215,1049 3.025,1050 6.168,1051 7.126,1052 5.336,1053 10.985,1054 6.052,1055 8.875,1056 1,1057 10.974,1058 2.625,1059 6.621,1060 7.73,1061 1.975,1062 12.835,1063 6.481,1064 10.262,1065 0.926,1066 12.775,1067 2.321,1068 8.117,1069 9.551,1070 7.589,1071 15.539,1072 7.947,1073 11.676,1074 0.618,1075 14.604,1076 2.136,1077 8.971,1078 10.56,1079 2.933,1080 17.735,1081 8.775,1082 13.11,1083 0.428,1084 16.454,1085 1.372,1086 10.257,1087 12.149,1088 9.878,1089 20.281,1090 10.033,1091 3.355,1092 -0.094,1093 18.319,1094 1.178,1095 11.295,1096 13.357,1097 4.183,1098 22.628,1099 11.042,1100 2.988,1101 11.998,1102 20.196,1103 -0.241,1104 12.508,1105 14.847,1106 12.172,1107 25.119,1108 12.226,1109 2.573,1110 10.38,1111 22.082,1112 4.219,1113 13.629,1114 16.156,1115 6.029,1116 27.533,1117 13.317,1118 2.519,1119 8.667,1120 23.976,1121 3.731,1122 14.82,1123 17.604,1124 14.468,1125 30.008,1126 14.479,1127 2.139,1128 7.488,1129 25.877,1130 3.475,1131 15.979,1132 18.966,1133 8.303,1134 32.453,1135 15.608,1136 2.072,1137 6.61,1138 27.783,1139 3.134,1140 17.167,1141 20.398,1142 16.764,1143 34.924,1144 16.767,1145 1.695,1146 6.171,1147 29.694,1148 2.586,1149 18.345,1150 21.789,1151 10.701,1152 37.384,1153 17.916,1154 8416,1155 13508,1156 22.076,1157 33.875,1158 49.594,1159 52.905,1160 49.365,1161 48.44,1162 48.37,1163 60.951,1164 12.634,1165 143.205,1166 47.064,1167 5.676,1168 6.637,1169 6.836,1170 5.486,1171 5.355,1172 7.219,1173 6.303,1174 19.728,1175 5.261,1176 8.9,1177 1.55,1178 1.653,1179 1.543,1180 1.514,1181 1.512,1182 1.905,1183 0.395,1184 4.475,1185 1.471,1186 4.046,1187 4.067,1188 4.157,1189 3.985,1190 7.443,1191 3.968,1192 3.901,1193 3.921,1194 3.865,1195 3.794,1196 7.412,1197 3.794,1198 3.85,1199 3.883,1200 3.75,1201 3.717,1202 5.074,1203 3.724,1204 3.663,1205 3.697,1206 3.596,1207 3.536,1208 4.746,1209 3.544,1210 3.27,1211 3.306,1212 3.322,1213 3.126,1214 4.603,1215 3.126,1216 3.111,1217 3.206,1218 3.182,1219 2.95,1220 4.189,1221 2.927,1222 3.108,1223 3.174,1224 2.951,1225 2.941,1226 3.777,1227 2.91,1228 2.953,1229 2.987,1230 2.866,1231 2.876,1232 3.637,1233 2.836,1234 0.146,1235 0.145,1236 0.22,1237 0.135,1238 0.105,1239 4.676,1240 0.132,1241 4.637,1242 0.098,1243 7.034,1244 0.375,1245 4.323,1246 0.102,1247 3.355,1248 4.219,1249 3.152,1250 11.998,1251 3.261,1252 1.968,1253 1.956,1254 2.104,1255 2.076,1256 1.492,1257 2.082,1258 1.881,1259 1.835,1260 1.998,1261 1.984,1262 1.156,1263 2.004,1264 1.666,1265 1.63,1266 1.791,1267 1.842,1268 0.997,1269 1.832,1270 1.501,1271 1.471,1272 1.64,1273 1.617,1274 0.829,1275 1.626,1276 1.346,1277 1.327,1278 1.513,1279 1.584,1280 0.825,1281 1.559,1282 1.206,1283 1.157,1284 1.506,1285 1.393,1286 0.68,1287 1.429,1288 1.153,1289 1.064,1290 1.446,1291 1.376,1292 0.573,1293 1.411,1294 0.949,1295 0.914,1296 1.154,1297 1.201,1298 0.221,1299 1.174,1300 4.174,1302 5.517,1303 2.398,1304 7.074,1305 4.443,1306 8.736,1307 6.26,1308 10.459,1315 5.875,1319 1.427,1320 0.245,1321 1.667,1326 32.116,1327 76.777,1328 171.202,1329 208.594,1330 236.568,1331 244.078,1332 244.078,1333 52.3,1334 8.009,1335 65.1,1336 93.34,1337 29,1338 12.865,1339 4,1340 3.392,1341 37.237,1342 93,1343 84,1344 0.201,1345 195.197,1346 348.68,1347 468.04,1348 31787,1350 19.087,1351 0.682,1352 0.579,1353 19.441,1354 16.205,1355 13.72,1356 0.429,1357 0.329,1358 9.682,1359 12.869,1360 9.45,1361 7.764,1362 14.129,1363 10.525,1364 12.347,1365 0.268,1366 0.183,1367 12.99,1368 8.414,1369 11.143,1370 0.169,1371 0.101,1372 11.919,1373 6.66,1374 9.968,1375 0.107,1376 0.056,1377 10.985,1378 5.231,1379 8.01,1380 0.065,1381 0.032,1382 9.047,1383 3.962,1384 0.302,1385 89.413,1386 0.213,1387 25.922,1388 0.602,1389 156,1390 443.357,1391 194.897,1392 445.239,1393 615.38,1394 418,1395 190,1396 443.717,1397 227.408,1398 461.545,1399 689.95,1400 437,1401 4.321}
{0 CHEMBL1545660,1 1.466,2 9.571,3 3.01,4 9.063,5 84.078,6 7.457,7 0.545,8 3.716,9 3.818,10 3.275,11 3.252,12 4.904,13 3.239,14 4.176,15 4.325,16 3.528,17 3.548,18 5.311,19 3.522,20 4.317,21 4.481,22 3.6,23 3.636,24 5.484,25 3.593,26 4.371,27 4.551,28 3.475,29 3.591,30 5.54,31 3.517,32 4.375,33 4.604,34 3.312,35 3.514,36 5.431,37 3.407,38 4.261,39 4.51,40 3.194,41 3.366,42 5.253,43 3.268,44 4.126,45 4.332,46 3.177,47 3.268,48 5.268,49 3.206,50 4.011,51 4.206,52 3.167,53 3.276,54 5.196,55 3.198,56 0.022,57 0.486,58 7.467,59 3.559,60 6.039,61 4.354,62 0.169,63 0.724,64 13.556,65 5.434,66 18.825,67 6.638,68 0.196,69 0.84,70 15.719,71 6.238,72 24.056,73 7.896,74 0.296,75 0.863,76 17.27,77 6.512,78 36.652,79 8.326,80 0.321,81 0.863,82 18.336,83 6.536,84 37.379,85 8.853,86 0.198,87 0.767,88 16.641,89 5.775,90 27.235,91 7.935,92 0.346,93 0.632,94 14.566,95 4.984,96 35.874,97 6.302,98 0.186,99 0.587,100 12.019,101 4.912,102 26.777,103 6.433,104 14,105 28,106 0.264,107 0.572,108 0.697,109 0.801,110 0.833,111 0.862,112 3.102,113 0.885,114 -3.76,115 -3.73,116 -3.54,120 44.7,125 2,136 1,138 1,143 8,144 1,145 3,158 1,174 7,177 5,182 2,185 8,189 5,192 1,194 1,197 6,201 2,204 2,206 2,209 3,213 1,214 2,219 2,222 2,227 2,232 2,235 2,239 1,240 2,245 1,247 3,251 1,252 4,260 5,264 4,271 5,274 566,275 14.43,276 14.43,277 14.43,278 14.43,279 14.43,280 12.681,281 16.055,282 8.741,283 14.814,284 10.72,285 10.72,286 10.72,287 10.72,288 10.72,289 8.008,290 22.358,291 3.964,292 11.122,293 3.782,294 2.072,295 1.375,296 0.796,297 0.619,298 0.461,299 3.765,305 1,306 1,307 1,308 414,309 3.162,313 153.622,320 1.347,321 17.755,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 201,334 4.27,335 3.487,336 6.172,337 3.863,338 2.905,339 3.913,340 0.86,341 9.167,342 2.846,343 4.158,344 3.149,345 6.017,346 3.8,347 2.78,348 3.697,349 0.86,350 8.536,351 2.762,352 3.55,353 2.682,354 5.221,355 3.163,356 2.243,357 2.862,358 0.4,359 6.493,360 2.056,361 3.373,362 2.183,363 4.435,364 2.878,365 1.875,366 2.673,368 4.474,369 1.88,370 2.995,371 2.065,372 4.288,373 2.599,374 1.649,375 2.13,377 4.124,378 1.557,379 2.759,380 1.36,381 3.54,382 2.233,383 1.24,384 1.812,386 2.793,387 1.23,388 2.5,389 1.323,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 2.394,398 1.19,399 3.236,400 1.836,401 0.839,402 1.178,404 1.884,405 0.828,406 1.938,407 1,408 3,409 1.621,410 0.738,411 0.85,413 1.281,414 0.644,415 1.49,416 0.915,417 2.67,418 1.202,419 0.342,420 0.379,422 0.471,423 0.291,424 1.228,425 0.35,426 2.428,427 0.846,428 -0.121,429 -0.158,431 -0.244,432 -0.115,433 0.753,434 -0.044,435 2.194,436 0.342,437 -0.581,438 -0.693,440 -1.09,441 -0.527,442 0.692,443 -0.438,444 1.836,445 0.279,446 -0.748,447 -1.028,449 -1.61,450 -0.755,451 0.553,452 -0.68,453 1.555,454 0.131,455 -0.864,456 -1.224,458 -2.347,459 -0.863,460 0.5,461 -0.87,462 1.53,464 -1,465 -1.5,467 -2.351,468 -1,469 9.9,470 0.471,471 0.345,472 0.016,473 29.25,474 1.393,475 16.5,476 0.786,477 12.75,478 0.607,479 12.367,480 0.589,481 22.5,482 0.592,483 20.601,484 0.981,485 6.385,486 0.304,487 3.856,488 0.184,489 0.135,491 0.253,496 0.809,497 1.202,498 0.787,499 1.106,500 0.635,501 0.965,502 1.278,503 0.996,504 0.941,505 0.905,506 0.82,507 0.869,508 1.047,509 1.125,510 0.971,511 1.067,512 0.968,513 1.014,514 1.134,515 1.187,516 1.164,517 1.159,518 1.351,519 1.17,520 0.91,521 1.041,522 1.054,523 1.009,524 1.158,525 1.042,526 0.957,527 0.953,528 0.93,529 0.926,530 0.858,531 0.911,532 1.397,533 0.769,534 1.04,535 0.771,536 1.22,537 0.828,538 0.69,539 1.009,540 0.876,541 1.079,542 0.985,543 1.024,544 3.5,545 0.054,546 2.222,547 1.125,548 0.804,549 0.479,550 0.284,551 0.234,552 0.152,553 0.081,554 4382,555 12578,556 1.995,557 44.7,559 15,560 1,562 1,567 1.629,568 1.881,569 3.256,570 -0.338,571 1,572 1,574 1,575 55.693,576 1.466,577 3.176,578 3.873,579 4.451,580 4.629,581 4.787,582 2.62,583 3.785,584 4.367,585 3.386,586 711.08,587 7.467,588 7914.68,589 1,590 1,591 1,592 1,593 199.421,594 1.322,595 4.328,596 0.159,597 0.005,598 0.079,599 0.039,600 0.034,601 0.024,602 0.016,603 0.013,604 0.008,605 0.005,606 0.382,607 0.67,608 1,609 0.933,610 96.541,611 -0.032,612 -0.098,613 0.039,614 -0.076,615 -0.063,616 -0.015,617 -0.169,618 0.039,619 -0.011,620 0.087,621 -0.061,622 0.069,623 -0.033,624 -0.086,625 -0.041,626 -0.089,627 0.011,628 -0.072,629 -0.027,630 -0.177,631 -0.203,632 -0.198,633 -0.095,634 -0.235,635 0.034,636 -0.051,637 -0.067,638 -0.06,639 -0.071,640 -0.076,641 -0.051,642 0.033,643 0.074,644 0.014,645 0.012,646 0.064,647 -0.042,648 0.186,649 -0.003,650 0.179,651 0.013,652 0.111,653 0.197,654 -0.048,655 0.069,656 -0.079,657 0.182,658 -0.033,659 1.732,660 4.93,661 0.571,662 15.859,663 1.004,664 1.117,665 2.533,666 6.418,667 0.67,668 3.135,669 3.367,670 3.584,671 3.714,672 3.85,673 3.738,674 3.664,675 3.526,676 3.555,677 3.584,678 5.817,679 0.642,680 283.35,681 3.135,682 4.615,683 5.425,684 6.252,685 7.077,686 7.909,687 8.739,688 9.572,689 10.403,690 11.238,691 2.6,696 1,709 8,714 4,716 12,721 1,729 1,735 2,738 38,739 14,740 2,741 22,743 39,744 17,745 12,746 4,747 8,748 3,752 2,753 2,768 15,769 2,772 2,778 1,780 2,782 1,785 1,786 1,789 17,790 4,791 1,792 4,797 1,803 1,804 3,823 2,845 1,855 2,859 2,862 21,871 1,872 2,886 7.9,889 1,891 2,893 11.167,894 7.333,895 4.972,896 1.979,898 2.696,899 1.433,900 0.942,901 5.408,902 8.92,903 3.434,904 3.951,905 4.489,906 4.949,907 5.416,908 5.406,909 5.557,910 5.623,911 5.877,912 6.222,913 1,914 29,915 7.693,917 3.058,918 7.825,919 14.438,921 10.848,924 2.325,925 48.833,929 188.338,930 137.662,931 18.011,933 47.145,936 137.662,937 235.482,938 18.011,939 21.766,940 9.047,941 85.286,942 48.289,943 38.429,944 11.771,945 176.567,947 188.338,948 155.673,949 47.145,952 188.338,953 47.145,957 128.186,958 27.487,960 188.338,961 65.155,962 137.662,965 188.338,966 21.563,967 116.1,968 18.011,969 47.145,970 188.338,971 65.155,972 137.662,973 0.555,974 0.334,975 0.171,976 0.089,977 11,978 5,979 0.154,980 6,982 1,983 3.388,984 144.851,986 12,987 88.239,993 15.135,994 7.503,995 4.1,997 65.155,998 14.504,1003 2.76,1005 18.011,1006 391.156,1007 30,1013 11.93,1015 3.07,1017 -0.065,1020 38.153,1021 42.448,1022 0.279,1023 0.605,1024 0.738,1025 0.848,1026 0.882,1027 0.912,1028 4.605,1029 0.839,1030 5.361,1031 2.136,1032 4.043,1033 4.635,1034 1.454,1035 6.084,1036 3.985,1037 5.779,1038 0.738,1039 6.87,1040 1.884,1041 3.434,1042 4.205,1044 6.862,1045 3.374,1046 7.051,1047 0.342,1048 8.482,1049 1.281,1050 5.549,1051 6.751,1052 1.175,1053 9.89,1054 5.452,1055 8.362,1056 -0.121,1057 10.155,1058 0.471,1059 5.802,1060 7.155,1062 11.5,1063 5.699,1064 9.703,1065 -0.581,1066 11.868,1067 -0.244,1068 7.327,1069 9.127,1070 0.966,1071 14.011,1072 7.204,1073 11.067,1074 -0.748,1075 13.606,1076 -1.09,1077 7.987,1078 9.94,1080 15.95,1081 7.854,1082 12.447,1083 -0.864,1084 15.363,1085 -1.61,1086 9.253,1087 11.639,1088 0.788,1089 18.274,1090 9.108,1091 2.905,1092 -1,1093 17.132,1094 -2.347,1095 10.113,1096 12.674,1098 20.354,1099 9.955,1100 2.78,1101 9.167,1102 18.91,1103 -2.351,1104 11.262,1105 14.227,1106 0.634,1107 22.603,1108 11.094,1109 2.243,1110 8.536,1111 20.695,1112 3.913,1113 12.219,1114 15.39,1116 24.746,1117 12.037,1118 1.875,1119 6.493,1120 22.485,1121 3.697,1122 13.315,1123 16.86,1124 0.504,1125 26.965,1126 13.121,1127 1.649,1128 4.474,1129 24.279,1130 2.862,1131 14.32,1132 18.098,1134 29.137,1135 14.11,1136 1.24,1137 4.124,1138 26.075,1139 2.673,1140 15.391,1141 19.519,1142 0.395,1143 31.344,1144 15.169,1145 1,1146 2.793,1147 27.875,1148 2.13,1149 16.421,1150 20.802,1152 33.53,1153 16.181,1154 4429,1155 7596,1156 14.504,1157 25.46,1158 31.584,1159 32.768,1160 32.741,1161 31.118,1162 31.22,1163 41.989,1164 4.24,1165 82.718,1166 30.19,1167 5.023,1168 5.487,1169 5.974,1170 4.868,1171 4.905,1172 6.913,1173 1.72,1174 15.434,1175 4.846,1176 9.896,1177 1.436,1178 1.489,1179 1.488,1180 1.414,1181 1.419,1182 1.909,1183 0.193,1184 3.76,1185 1.372,1186 3.962,1187 3.985,1188 3.91,1189 3.879,1190 7.428,1191 3.881,1192 3.893,1193 3.914,1194 3.839,1195 3.815,1196 4.934,1197 3.819,1198 3.531,1199 3.57,1200 3.447,1201 3.397,1202 4.728,1203 3.403,1204 3.32,1205 3.367,1206 3.179,1207 3.026,1208 4.606,1209 3.052,1210 3.156,1211 3.241,1212 2.981,1213 2.883,1214 4.394,1215 2.891,1216 3.048,1217 3.1,1218 2.877,1219 2.853,1220 4.106,1221 2.845,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.687,1227 2.715,1228 2.78,1229 2.845,1230 2.632,1231 2.669,1232 3.674,1233 2.652,1234 0.194,1235 0.159,1236 0.281,1237 0.176,1238 0.132,1239 4.27,1240 0.178,1241 3.487,1242 0.039,1243 6.172,1244 0.417,1245 3.863,1246 0.129,1247 2.905,1248 3.913,1249 0.86,1250 9.167,1251 2.846,1252 1.918,1253 1.896,1254 2.029,1255 2.021,1256 1.09,1257 2.019,1258 1.872,1259 1.853,1260 1.967,1261 1.977,1262 1.062,1263 1.979,1264 1.497,1265 1.46,1266 1.663,1267 1.67,1268 0.659,1269 1.669,1270 1.237,1271 1.178,1272 1.591,1273 1.565,1274 0.585,1275 1.569,1276 1.133,1277 1.04,1278 1.535,1279 1.437,1280 0.556,1281 1.472,1282 0.993,1283 0.943,1284 1.194,1285 1.224,1286 0.238,1287 1.211,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.805,1295 0.746,1296 1.078,1297 0.977,1298 0.15,1299 1.015,1300 3.807,1302 5.056,1304 6.515,1306 8.062,1308 9.654,1310 3.187,1317 3.033,1318 10.415,1326 24.38,1327 55.693,1328 120.692,1329 147.157,1330 169.157,1331 175.911,1332 181.911,1333 33.61,1334 6.225,1335 47.56,1336 47.56,1337 12,1338 11.808,1339 3.907,1340 3.17,1341 39.412,1342 74,1343 63,1344 0.261,1345 154.417,1346 272.39,1347 368.538,1348 3674,1350 15.079,1351 0.718,1352 0.571,1353 15.079,1354 11.998,1355 10.241,1356 0.465,1357 0.295,1358 6.373,1359 9.793,1360 6.157,1361 5.206,1362 10.241,1363 6.488,1364 8.322,1365 0.297,1366 0.153,1367 8.322,1368 4.274,1369 7.039,1370 0.201,1371 0.084,1372 7.039,1373 2.938,1374 5.327,1375 0.133,1376 0.046,1377 5.327,1378 1.833,1379 4.014,1380 0.087,1381 0.025,1382 4.014,1383 1.131,1384 0.414,1385 64.706,1386 0.263,1387 21.168,1388 0.7,1389 100,1390 333.539,1391 109.582,1392 315.327,1393 422.36,1394 296,1395 113,1396 296.699,1397 122.528,1398 303.611,1399 432.4,1400 282,1401 6.322}
{0 CHEMBL1546730,1 1.577,2 12.971,3 2.75,4 7.562,5 123.921,6 7.422,7 0.324,8 4.244,9 4.352,10 3.798,11 3.719,12 5.347,13 3.72,14 4.815,15 4.976,16 4.197,17 4.109,18 5.946,19 4.096,20 5.094,21 5.266,22 4.246,23 4.28,24 6.2,25 4.237,26 5.179,27 5.404,28 4.22,29 4.241,30 6.29,31 4.188,32 5.092,33 5.292,34 4.2,35 4.152,36 6.445,37 4.124,38 5.019,39 5.217,40 4.135,41 4.178,42 6.159,43 4.121,44 5.146,45 5.379,46 4.131,47 4.19,48 6.291,49 4.123,50 5.07,51 5.289,52 3.993,53 4.122,54 6.313,55 4.041,56 0.093,57 0.889,58 13.08,59 5.848,60 11.735,61 7.428,62 0.59,63 1.413,64 26.33,65 9.56,66 50.564,67 12.729,68 0.924,69 1.75,70 36.547,71 12.38,72 81.69,73 16.034,74 0.773,75 1.809,76 41.844,77 12.972,78 91.907,79 18.195,80 1.277,81 1.65,82 38.742,83 10.795,84 175.908,85 14.806,86 0.668,87 1.618,88 34.04,89 11.687,90 81.87,91 15.912,92 0.87,93 1.72,94 41.077,95 12.671,96 102.354,97 17.851,98 1.141,99 1.588,100 38.264,101 11.406,102 154.068,103 15.746,104 40,105 53,106 0.253,107 0.572,108 0.748,109 0.814,110 0.829,111 0.839,112 3.56,113 0.911,114 -2.62,115 -2.64,116 -2.57,120 39.7,121 3,122 1,126 4,128 1,131 1,143 7,144 2,145 3,159 2,160 1,174 8,176 3,177 7,180 2,182 2,185 12,188 2,189 6,192 2,193 1,194 2,197 6,201 16,204 1,206 1,209 1,213 3,214 8,217 4,219 4,226 2,227 7,230 1,232 4,235 6,239 1,240 9,243 1,245 5,247 6,251 2,252 5,255 3,257 2,260 8,263 1,264 3,269 2,271 6,274 2212,275 22.325,276 22.325,277 22.325,278 22.325,279 22.325,280 20.435,281 31.3,282 13.069,283 22.869,284 18.302,285 18.302,286 18.302,287 18.302,288 18.302,289 15.253,290 41.75,291 6.265,292 19.152,293 4.401,294 2.413,295 1.316,296 0.909,297 0.814,298 0.751,299 4.252,306 1,307 1,308 949,309 4.743,313 394.723,317 334.21,320 1.86,321 47.614,324 1,325 0.67,326 1,327 1,328 1,329 1,330 1,331 0.95,332 75.5,333 441,334 4.363,335 3.95,336 6.712,337 4.168,338 3.22,339 3.92,340 2.214,341 10.898,342 3.069,343 4.283,344 3.687,345 6.417,346 4.019,347 3.059,348 3.842,349 1.984,350 10.042,351 2.91,352 4.152,353 3.576,354 6.185,355 3.876,356 2.931,357 3.333,358 1.924,359 9.238,360 2.769,361 3.95,362 3.248,363 6.051,364 3.651,365 2.659,366 3.103,367 0.86,368 8.686,369 2.632,370 3.761,371 3.239,372 5.536,373 3.46,374 2.491,375 3.012,376 0.86,377 7.2,378 2.402,379 3.563,380 3.055,381 5.416,382 3.258,383 2.28,384 2.71,385 0.806,386 6.906,387 2.205,388 3.341,389 2.429,390 4.797,391 2.966,392 1.973,393 2.537,394 0.33,395 5.402,396 1.939,397 2.929,398 2.282,399 4.468,400 2.583,401 1.618,402 2.096,403 0.247,404 4.441,405 1.578,406 2.923,407 2.175,408 4.408,409 2.53,410 1.584,411 2.061,412 0.108,413 4.349,414 1.476,415 2.91,416 2.005,417 4.288,418 2.484,419 1.49,420 2.038,422 3.707,423 1.469,424 2.586,425 1.8,426 3.619,427 2.319,428 1.399,429 1.52,431 3.002,432 1.274,433 2.475,434 1.465,435 3.615,436 2.232,437 1.253,438 1.471,440 2.946,441 1.211,442 1.972,443 1.438,444 3.537,445 1.715,446 0.752,447 0.878,449 1.935,450 0.718,451 1.92,452 1.03,453 3.186,454 1.607,455 0.696,456 0.825,458 1.623,459 0.627,460 1.7,461 1.02,462 3.02,463 1.387,464 0.398,465 0.466,467 0.923,468 0.388,469 15.7,470 0.462,471 1.066,472 0.031,473 40.5,474 1.191,475 18,476 0.529,477 22.5,478 0.662,479 33.264,480 0.978,481 38.3,482 0.608,483 34.879,484 1.026,485 8.065,486 0.237,487 8.128,488 0.239,489 0.159,490 0.032,491 0.312,496 0.772,497 1.427,498 0.774,499 1.231,500 0.585,501 1.032,502 0.808,503 1.111,504 0.801,505 1.01,506 0.536,507 0.918,508 1.247,509 1.064,510 1.178,511 1.074,512 1.061,513 1.107,514 1.087,515 1.113,516 0.929,517 1.009,518 1.225,519 0.943,520 1.28,521 0.899,522 1.098,523 0.835,524 1.603,525 0.9,526 0.941,527 1.159,528 1.005,529 1.143,530 1.131,531 1.095,532 1.037,533 1.026,534 0.946,535 0.969,536 1.209,537 0.939,538 1.192,539 0.88,540 1.183,541 0.897,542 1.613,543 1.012,544 8.5,545 0.194,546 3.778,547 2.313,548 2.462,549 1.34,550 0.979,551 0.738,552 0.398,553 0.364,554 17305,555 47040,556 2.035,557 46,559 16,562 2,564 11,567 1.761,568 1.88,569 3.626,570 0.206,572 1,575 99.326,576 1.577,577 3.564,578 4.661,579 5.068,580 5.163,581 5.227,582 3.033,583 4.477,584 5.061,585 3.85,586 2159.8,587 8.877,588 33810.6,593 376.569,594 1.611,595 4.999,596 0.23,597 0.006,598 0.071,599 0.044,600 0.048,601 0.027,602 0.021,603 0.016,604 0.01,605 0.011,606 0.484,607 0.33,608 0.88,609 1.04,610 183.369,611 -0.049,612 -0.182,613 0.054,614 -0.095,615 -0.052,616 -0.011,617 0.131,618 0.016,619 0.123,620 0.026,621 0.107,622 0.063,623 -0.111,624 -0.002,625 -0.209,626 -0.073,627 -0.144,628 -0.154,629 -0.077,630 -0.133,631 0.069,632 -0.048,633 -0.055,634 0.029,635 0.01,636 0.127,637 -0.065,638 0.082,639 0.083,640 0.009,641 -0.003,642 -0.12,643 -0.049,644 -0.14,645 -0.019,646 -0.111,647 -0.029,648 -0.064,649 0.059,650 -0.013,651 -0.005,652 0.035,653 -0.052,654 0.106,655 -0.167,656 0.044,657 -0.076,658 -0.066,659 2.233,660 6.06,661 0.588,662 36.651,663 1.012,664 1.129,665 1.388,666 1.928,667 0.645,668 3.638,669 3.989,670 4.19,671 4.466,672 4.718,673 4.771,674 4.898,675 4.956,676 4.99,677 4.852,678 7.849,679 0.622,680 467.57,681 3.638,682 5.198,683 6.033,684 6.923,685 7.777,686 8.668,687 9.532,688 10.424,689 11.294,690 12.185,691 4.8,698 3,709 7,714 5,716 12,735 2,738 63,739 15,740 2,741 37,743 66,744 25,745 12,746 5,747 7,752 4,753 6,759 3,763 2,766 2,768 15,769 10,770 1,772 3,778 3,782 3,786 1,789 29,790 9,791 2,792 9,797 3,803 0.5,804 6,823 4,827 2,838 2,852 1,855 2,859 3,862 34,869 5,871 2,872 3,874 1,875 1,876 1,886 9.5,889 3,891 3,893 18.083,894 12.117,895 7.264,896 3.682,898 2.243,899 1.281,900 0.943,901 7.337,902 10.214,903 3.85,904 4.382,905 4.796,906 5.284,907 5.769,908 5.868,909 6.131,910 6.357,911 6.498,912 6.363,913 1,914 53,915 12.726,917 5.531,918 7.909,919 23.82,921 19.521,924 2.409,925 81.917,929 317.82,930 144.527,931 39.146,933 108.434,936 144.527,937 426.254,938 39.146,939 26.476,940 55.077,941 66.334,942 84.844,943 52.614,944 6.763,945 317.82,947 317.82,948 183.672,949 108.434,952 188.338,953 237.917,956 81.552,957 102.12,960 317.82,961 147.58,962 144.527,965 317.82,966 51.717,967 95.934,968 36.022,969 108.434,970 317.82,971 147.58,972 144.527,973 0.59,974 0.32,975 0.176,976 0.101,977 25,978 12,979 0.091,980 6,981 2,982 1.2,983 4.422,984 313.969,985 0.2,986 20,987 168.219,993 24.361,994 10.239,995 6.23,997 147.58,998 12.775,1003 3.668,1005 36.022,1006 609.927,1007 46,1013 38.383,1017 -1.384,1020 63.756,1021 71.149,1022 0.264,1023 0.596,1024 0.78,1025 0.848,1026 0.864,1027 0.874,1028 5.124,1029 1.618,1030 6.057,1031 5.402,1032 4.673,1033 5.069,1034 3.291,1035 6.882,1036 4.589,1037 6.325,1038 1.584,1039 7.629,1040 4.441,1041 4.443,1042 4.945,1043 2.651,1044 7.941,1045 4.335,1046 7.636,1047 1.49,1048 9.303,1049 4.349,1050 6.326,1051 7.13,1052 4.333,1053 10.937,1054 6.154,1055 8.972,1056 1.399,1057 11.036,1058 3.707,1059 6.847,1060 7.721,1061 4.408,1062 12.749,1063 6.639,1064 10.335,1065 1.253,1066 12.805,1067 3.002,1068 8.265,1069 9.469,1070 5.628,1071 15.318,1072 8.002,1073 11.715,1074 0.752,1075 14.598,1076 2.946,1077 9.118,1078 10.391,1079 6.01,1080 17.431,1081 8.807,1082 13.109,1083 0.696,1084 16.408,1085 1.935,1086 10.357,1087 11.956,1088 7.023,1089 19.855,1090 9.997,1091 3.22,1092 0.398,1093 18.231,1094 1.623,1095 11.361,1096 13.054,1097 7.564,1098 22.098,1099 10.948,1100 3.059,1101 10.898,1102 20.062,1103 0.923,1104 12.531,1105 14.529,1106 8.47,1107 24.472,1108 12.07,1109 2.931,1110 10.042,1111 21.902,1112 3.92,1113 13.606,1114 15.728,1115 9.102,1116 26.775,1117 13.09,1118 2.659,1119 9.238,1120 23.747,1121 3.842,1122 14.751,1123 17.152,1124 9.95,1125 29.134,1126 14.187,1127 2.491,1128 8.686,1129 25.598,1130 3.333,1131 15.859,1132 18.412,1133 10.637,1134 31.466,1135 15.241,1136 2.28,1137 7.2,1138 27.453,1139 3.103,1140 16.997,1141 19.808,1142 11.454,1143 33.824,1144 16.33,1145 1.973,1146 6.906,1147 29.311,1148 3.012,1149 18.122,1150 21.104,1151 12.176,1152 36.173,1153 17.403,1154 16462,1155 27335,1156 24.156,1157 40.642,1158 56.359,1159 59.021,1160 56.697,1161 55.566,1162 55.604,1163 67.622,1164 18.663,1165 162.595,1166 53.331,1167 5.328,1168 5.95,1169 6.4,1170 5.309,1171 5.22,1172 6.92,1173 3.918,1174 18.066,1175 5.069,1176 18.957,1177 1.523,1178 1.595,1179 1.532,1180 1.502,1181 1.503,1182 1.828,1183 0.504,1184 4.394,1185 1.441,1186 4.026,1187 4.058,1188 3.966,1189 3.937,1190 7.438,1191 3.937,1192 3.949,1193 3.967,1194 3.901,1195 3.842,1196 7.429,1197 3.853,1198 3.739,1199 3.778,1200 3.651,1201 3.567,1202 7.423,1203 3.574,1204 3.673,1205 3.718,1206 3.583,1207 3.473,1208 4.953,1209 3.492,1210 3.533,1211 3.576,1212 3.441,1213 3.316,1214 4.741,1215 3.341,1216 3.416,1217 3.47,1218 3.288,1219 3.216,1220 4.555,1221 3.224,1222 3.245,1223 3.279,1224 3.162,1225 3.023,1226 4.384,1227 3.04,1228 3.054,1229 3.111,1230 2.936,1231 2.842,1232 4.213,1233 2.861,1234 0.118,1235 0.107,1236 0.181,1237 0.113,1238 0.087,1239 4.363,1240 0.106,1241 3.95,1242 0.06,1243 6.712,1244 0.295,1245 4.168,1246 0.083,1247 3.22,1248 3.92,1249 2.214,1250 10.898,1251 3.069,1252 1.981,1253 1.953,1254 2.095,1255 2.091,1256 1.349,1257 2.092,1258 1.893,1259 1.876,1260 1.986,1261 2.033,1262 1.118,1263 2.017,1264 1.697,1265 1.65,1266 1.945,1267 1.895,1268 1.109,1269 1.91,1270 1.596,1271 1.552,1272 1.759,1273 1.831,1274 0.934,1275 1.81,1276 1.459,1277 1.413,1278 1.687,1279 1.695,1280 0.899,1281 1.688,1282 1.373,1283 1.317,1284 1.607,1285 1.598,1286 0.787,1287 1.605,1288 1.17,1289 1.118,1290 1.433,1291 1.416,1292 0.676,1293 1.408,1294 0.978,1295 0.932,1296 1.417,1297 1.254,1298 0.469,1299 1.308,1300 4.317,1302 5.659,1304 7.183,1306 8.792,1308 10.449,1310 5.334,1315 1.279,1317 5.393,1318 16.53,1320 -0.785,1321 1.418,1322 -0.696,1326 39.201,1327 99.326,1328 224.562,1329 293.633,1330 319.284,1331 325.284,1332 329.284,1333 85.655,1334 7.97,1335 106.2,1336 106.2,1337 24,1338 12.718,1339 4,1340 3.322,1341 56.93,1342 159,1343 164,1344 0.169,1345 239.019,1346 431.8,1347 574.967,1348 37639,1350 24.294,1351 0.715,1352 0.575,1353 24.294,1354 19.551,1355 16.192,1356 0.438,1357 0.304,1358 11.031,1359 15.378,1360 10.69,1361 8.84,1362 16.192,1363 11.231,1364 15.725,1365 0.297,1366 0.174,1367 15.725,1368 9.221,1369 11.661,1370 0.179,1371 0.084,1372 11.661,1373 5.428,1374 10.013,1375 0.116,1376 0.045,1377 10.013,1378 3.881,1379 8.241,1380 0.074,1381 0.025,1382 8.241,1383 2.763,1384 0.269,1385 102.865,1386 0.203,1387 31.661,1388 0.452,1389 180,1390 590.724,1391 205.454,1392 548.362,1393 733.11,1394 512,1395 208,1396 527.204,1397 231.992,1398 524.403,1399 765.95,1400 491,1401 6.122}
{0 CHEMBL1546756,1 2.185,2 6.438,3 3.117,4 9.718,5 71.317,6 13.328,7 0.647,8 3.242,9 3.28,10 3.485,11 3.068,12 4.479,13 2.966,14 3.669,15 3.741,16 3.909,17 3.452,18 4.928,19 3.313,20 3.81,21 3.87,22 4.057,23 3.497,24 5.219,25 3.342,26 3.797,27 3.881,28 3.701,29 3.316,30 5.268,31 3.144,32 3.502,33 3.583,34 3.519,35 3.042,36 4.995,37 2.923,38 3.372,39 3.498,40 3.415,41 2.903,42 4.768,43 2.77,44 3.229,45 3.442,46 3.252,47 2.59,48 4.461,49 2.425,50 2.658,51 2.85,52 2.473,53 1.914,54 3.993,55 1.724,56 0.099,57 0.316,58 2.135,59 1.638,60 10.031,61 1.447,62 0.185,63 0.467,64 8.356,65 3.227,66 17.491,67 2.999,68 0.306,69 0.533,70 14.952,71 4.265,72 27.865,73 3.197,74 0.373,75 0.54,76 23.081,77 5.746,78 45.15,79 3.684,80 0.309,81 0.361,82 11.669,83 3.377,84 44.686,85 2.313,86 0.209,87 0.348,88 6.767,89 2.321,90 19.333,91 1.785,92 0.209,93 0.275,94 10.728,95 2.724,96 17.597,97 2.792,98 0.174,99 0.11,100 9.572,101 1.656,102 15.706,103 1.721,104 17,105 24,106 0.447,107 0.743,108 0.788,109 0.85,110 0.869,111 0.869,112 2.854,113 1.223,114 -3.58,115 -3.56,116 -3.39,120 40.9,121 1,143 3,145 3,147 1,154 1,167 1,174 1,177 1,185 3,189 3,197 5,200 2,201 2,209 1,214 5,222 2,227 3,235 1,240 2,247 1,252 2,260 1,274 242,275 10.414,276 10.414,277 10.414,278 10.414,279 10.414,280 8.882,281 7.228,282 5.967,283 11.089,284 8.313,285 8.313,286 8.313,287 8.313,288 8.313,289 6.062,290 4.795,291 2.778,292 9.534,293 2.275,294 0.83,295 0.614,296 0.307,297 0.216,298 0.216,299 3.493,303 2,306 1,307 1,308 212,309 2.345,312 44.745,313 51.381,320 1.063,321 20.26,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 34.667,333 103,334 4.448,335 4.914,336 6.588,337 3.95,338 3.089,339 4.09,340 2.95,341 10.314,342 2.643,343 4.147,344 3.355,345 5.951,346 3.639,347 2.753,348 3.788,350 8.266,351 2.411,352 3.662,353 3.119,354 5.548,355 3.163,356 2.283,357 3.037,359 6.926,360 1.901,361 2.864,362 2.187,363 4.401,364 2.322,365 1.414,366 1.974,368 3.919,369 1.239,370 2.816,371 2.127,372 4.04,373 2.293,374 1.414,375 1.931,377 3.51,378 1.185,379 2.561,380 1.252,381 3.53,382 2.1,383 1.128,384 1.585,386 2.473,387 1.088,388 2.191,389 1.073,390 3.332,391 1.494,392 0.603,393 0.914,395 1.494,396 0.515,397 1.359,398 0.54,399 2.476,400 0.794,401 0.05,402 0.063,404 0.109,405 0.03,406 0.749,407 0.215,408 2.371,409 0.305,410 -0.635,411 -0.775,413 -1.446,414 -0.441,415 0.624,416 -0.193,417 1.923,418 0.22,419 -0.688,420 -0.903,422 -1.696,423 -0.64,424 0.134,425 -0.453,426 1.575,427 -0.41,428 -1.203,429 -1.554,431 -3.081,432 -0.896,433 -0.039,434 -0.683,435 1.418,436 -0.557,437 -1.414,438 -1.848,440 -3.652,441 -1.121,442 -0.171,443 -1.119,444 1.281,445 -0.732,446 -1.414,447 -1.864,449 -4.026,450 -1.174,451 -0.23,452 -1.278,453 1.269,454 -0.756,455 -1.662,456 -2.308,458 -4.474,459 -1.476,460 -0.342,461 -1.632,462 1.101,463 -0.857,464 -1.747,465 -2.47,467 -5.384,468 -1.562,469 8.729,470 0.546,471 0.494,472 0.031,473 21,474 1.313,475 11.5,476 0.719,477 9.5,478 0.594,479 12.078,480 0.755,481 16.471,482 0.749,483 11.747,484 0.734,485 3.957,486 0.247,487 3.635,488 0.227,489 0.259,491 0.382,496 0.436,497 0.914,498 0.632,499 0.855,500 0.592,501 0.684,502 0.669,503 0.992,504 0.588,505 0.657,506 0.633,507 0.641,508 1.054,509 1.068,510 1.111,511 1.188,512 1.044,513 1.002,514 1.424,515 1.077,516 1.467,517 1.47,518 1.586,519 1.299,520 1.369,521 1.039,522 0.902,523 0.95,524 1.802,525 0.989,526 0.742,527 1.215,528 0.716,529 0.863,530 0.531,531 1.126,532 0.586,533 0.905,534 0.563,535 0.56,536 0.374,537 0.828,538 1.27,539 0.558,540 1.803,541 1.087,542 0.763,543 1.335,544 3.5,546 2.667,547 1.313,548 0.893,549 0.396,550 0.264,551 0.177,552 0.031,554 1774,555 8963,556 1.958,557 27.3,559 3,563 3,567 1.553,568 1.778,569 2.748,570 -0.55,574 1,575 48.068,576 2.185,577 3.629,578 3.845,579 4.152,580 4.243,581 4.243,582 2.203,583 3.75,584 3.976,585 2.832,586 339.823,587 6.701,588 2901.47,589 1,590 1,593 98.107,594 1.561,595 3.895,596 0.206,598 0.111,599 0.057,600 0.05,601 0.026,602 0.022,603 0.022,604 0.01,606 0.505,607 0.83,608 1,609 0.75,610 63.592,611 0.134,612 0.062,613 0.015,614 -0.074,615 -0.081,616 0.008,617 0.006,618 -0.064,619 0.176,620 0.202,621 0.015,622 0.206,623 -0.092,624 -0.106,625 -0.086,626 -0.163,627 -0.039,628 -0.104,629 -0.277,630 -0.037,631 -0.433,632 -0.299,633 -0.134,634 -0.313,635 -0.195,636 -0.119,637 -0.064,638 -0.003,639 -0.25,640 -0.089,641 0.071,642 -0.204,643 0.089,644 -0.065,645 0.093,646 -0.239,647 0.339,648 0.028,649 0.51,650 0.361,651 0.193,652 0.439,653 0.118,654 0.205,655 -0.219,656 -0.112,657 0.08,658 0.048,659 2.518,660 5.132,661 0.688,662 8.156,663 1.045,664 1.099,665 2.353,666 5.538,667 0.853,668 2.89,669 3.219,670 3.466,671 3.611,672 3.664,673 3.611,674 3.555,675 3.434,676 3.258,677 2.89,678 4.081,679 0.789,680 293.21,681 2.89,682 4.419,683 5.263,684 6.129,685 6.989,686 7.857,687 8.722,688 9.591,689 10.458,690 11.327,691 9.1,701 2,709 3,710 2,713 1,714 5,716 11,737 2,738 22,739 12,740 1,741 17,743 23,744 9,745 8,746 3,747 3,752 2,753 2,754 2,759 1,768 8,769 1,772 1,778 1,783 1,786 1,789 6,790 3,792 7,793 4,797 2,803 1,804 1,822 1,823 1,855 2,857 2,859 1,860 2,862 16,864 1,885 2,886 4.5,889 1,893 9,894 4.436,895 3.528,896 1.167,898 1.987,899 1.345,900 0.978,901 3.695,902 7.749,903 3.199,904 3.823,905 4.402,906 4.892,907 5.208,908 5.356,909 5.521,910 5.651,911 5.859,912 5.87,913 1,914 23,915 5.892,917 2.511,918 8.038,919 10.864,921 8.725,924 2.538,925 40.611,926 0.001,929 70.627,930 98.747,931 31.517,932 78.297,933 22.156,935 50.185,936 48.563,937 171.08,938 31.517,939 8.825,941 47.561,942 53.673,943 11.309,945 101.679,946 78.297,947 70.627,948 80.079,949 22.156,950 128.482,952 70.627,953 22.156,956 11.582,957 36.981,958 109.814,959 50.185,960 70.627,961 53.673,962 177.045,965 89.759,966 42.361,967 37.254,969 131.97,970 70.627,971 53.673,972 177.045,973 0.594,974 0.358,975 0.17,976 0.08,977 12,978 6,979 0.087,980 2,982 1,983 2.752,984 106.104,986 11,987 64,989 1,991 1,993 12.115,994 4.88,995 2.509,997 53.673,998 4.906,999 7.567,1002 1.125,1003 2.751,1006 301.344,1007 23.5,1013 12.132,1018 -1.295,1020 22.982,1021 24.18,1022 0.49,1023 0.814,1024 0.862,1025 0.931,1026 0.952,1027 0.952,1028 4.416,1029 0.05,1030 5.273,1031 1.494,1032 3.892,1033 4.505,1034 2.913,1035 6.089,1036 3.621,1037 5.653,1038 -0.635,1039 6.855,1040 0.109,1041 3.611,1042 4.388,1044 7.029,1045 3.058,1046 6.974,1047 -0.688,1048 8.538,1049 -1.446,1050 5.501,1051 6.728,1052 5.027,1053 10.106,1054 4.955,1055 8.334,1056 -1.203,1057 10.276,1058 -1.696,1059 6.019,1060 7.417,1062 11.832,1063 5.169,1064 9.723,1065 -1.414,1066 12.048,1067 -3.081,1068 7.413,1069 9.221,1070 7.185,1071 14.437,1072 6.568,1073 11.132,1074 -1.414,1075 13.842,1076 -3.652,1077 8.263,1078 10.267,1080 16.482,1081 7.14,1082 12.557,1083 -1.662,1084 15.652,1085 -4.026,1086 9.476,1087 11.849,1088 9.348,1089 18.92,1090 8.318,1091 3.089,1092 -1.747,1093 17.473,1094 -4.474,1095 10.469,1096 13.064,1098 21.111,1099 9.065,1100 2.753,1101 10.314,1102 19.304,1103 -5.384,1104 11.613,1105 14.547,1106 11.511,1107 23.483,1108 10.137,1109 2.283,1110 8.266,1111 21.141,1112 4.09,1113 12.669,1114 15.845,1116 25.744,1117 10.976,1118 1.414,1119 6.926,1120 22.984,1121 3.788,1122 13.79,1123 17.282,1124 13.675,1125 28.09,1126 11.994,1127 1.414,1128 3.919,1129 24.832,1130 3.037,1131 14.875,1132 18.624,1134 30.386,1135 12.884,1136 1.128,1137 3.51,1138 26.684,1139 1.974,1140 15.989,1141 20.038,1142 15.838,1143 32.722,1144 13.875,1145 0.603,1146 2.473,1147 28.539,1148 1.931,1149 17.089,1150 21.404,1152 35.036,1153 14.794,1154 1854,1155 4286,1156 10.751,1157 18.761,1158 26.027,1159 28.067,1160 27.251,1161 25.735,1162 25.47,1163 34.763,1164 5.9,1165 74.022,1166 22.025,1167 5.22,1168 6.914,1169 6.096,1170 5.119,1171 5.089,1172 7.09,1173 5.9,1174 17.429,1175 4.643,1176 8.913,1177 1.531,1178 1.651,1179 1.603,1180 1.514,1181 1.498,1182 2.045,1183 0.347,1184 4.354,1185 1.296,1186 3.974,1187 3.969,1188 4.496,1189 4.004,1190 7.397,1191 3.926,1192 3.758,1193 3.783,1194 4.089,1195 3.724,1196 5.037,1197 3.669,1198 3.173,1199 3.159,1200 3.81,1201 3.141,1202 4.973,1203 3.047,1204 2.928,1205 2.997,1206 3.399,1207 2.812,1208 4.49,1209 2.765,1210 2.877,1211 2.921,1212 3.035,1213 2.788,1214 4.191,1215 2.708,1216 2.544,1217 2.54,1218 2.99,1219 2.42,1220 3.794,1221 2.355,1222 1.786,1223 1.793,1224 2.409,1225 1.736,1226 3.445,1227 1.623,1228 1.727,1229 1.776,1230 2.16,1231 1.639,1232 3.134,1233 1.537,1234 0.262,1235 0.289,1236 0.388,1237 0.232,1238 0.182,1239 4.448,1240 0.241,1241 4.914,1242 0.174,1243 6.588,1244 0.607,1245 3.95,1246 0.155,1247 3.089,1248 4.09,1249 2.95,1250 10.314,1251 2.643,1252 1.896,1253 1.898,1254 1.9,1255 1.925,1256 1.121,1257 1.958,1258 1.543,1259 1.532,1260 1.713,1261 1.678,1262 0.85,1263 1.702,1264 1.139,1265 1.131,1266 1.107,1267 1.201,1268 0.428,1269 1.288,1270 0.868,1271 0.824,1272 0.908,1273 1.052,1274 0.164,1275 1.06,1276 0.795,1277 0.793,1278 0.763,1279 1.007,1281 1.029,1282 0.594,1283 0.507,1284 0.541,1285 0.753,1287 0.807,1288 0.117,1289 0.153,1290 0.175,1291 0.361,1293 0.384,1297 0.043,1299 0.139,1300 3.555,1302 4.875,1303 2.398,1304 6.385,1305 4.595,1306 7.978,1307 6.555,1308 9.611,1310 1.772,1311 11.653,1326 17.367,1327 48.068,1328 79.843,1329 84.598,1330 91.353,1331 93.353,1332 93.353,1333 28.903,1334 5.762,1335 42.85,1336 90.3,1337 11,1338 11.871,1339 3.7,1340 2.907,1341 25.899,1342 39,1343 34,1344 0.345,1345 124.19,1346 202.77,1347 294.784,1348 1727,1349 9.1,1350 11.707,1351 0.732,1352 0.703,1353 13.349,1354 11.252,1355 7.592,1356 0.447,1357 0.408,1358 4.439,1359 5.827,1360 4.053,1361 3.362,1362 9.246,1363 6.93,1364 6.959,1365 0.29,1366 0.26,1367 9.196,1368 6.234,1369 5.985,1370 0.193,1371 0.169,1372 8.901,1373 5.239,1374 4.372,1375 0.121,1376 0.096,1377 6.768,1378 3.465,1379 2.951,1380 0.078,1381 0.06,1382 4.951,1383 2.263,1384 0.515,1385 64.197,1386 0.305,1387 15.908,1388 1.023,1389 82,1390 305.153,1391 178.423,1392 398.352,1393 512.97,1394 364,1395 96,1396 290.142,1397 182.966,1398 357.476,1399 512.25,1400 332,1401 4.906}
{0 CHEMBL1546843,1 1.629,2 11.069,3 5.119,4 26.201,5 115.958,6 8.05,7 0.516,8 4.025,9 4.116,10 3.698,11 3.583,12 5.204,13 3.554,14 4.514,15 4.658,16 4.032,17 3.901,18 5.63,19 3.866,20 4.608,21 4.741,22 4.163,23 4.037,24 5.782,25 3.989,26 4.738,27 4.889,28 4.202,29 4.079,30 5.943,31 4.029,32 4.817,33 4.977,34 4.058,35 4.093,36 5.955,37 4.013,38 4.808,39 4.986,40 3.849,41 4.055,42 5.925,43 3.948,44 4.817,45 5.069,46 3.835,47 4.002,48 5.875,49 3.857,50 4.656,51 4.89,52 3.796,53 3.882,54 5.712,55 3.761,56 0.039,57 0.684,58 9.766,59 4.971,60 8.929,61 5.703,62 0.38,63 1.09,64 22.152,65 7.865,66 27.706,67 8.913,68 0.394,69 1.2,70 21.734,71 8.943,72 28.994,73 10.176,74 0.439,75 1.358,76 26.735,77 9.895,78 38.224,79 11.178,80 0.524,81 1.389,82 30.258,83 11.042,84 48.948,85 11.976,86 0.487,87 1.375,88 29.008,89 10.851,90 56.58,91 12.553,92 0.579,93 1.356,94 30.509,95 11.752,96 67.015,97 15.853,98 0.399,99 1.189,100 27.168,101 10.089,102 48.278,103 12.927,104 44,105 42,106 0.271,107 0.593,108 0.731,109 0.791,110 0.806,111 0.833,112 3.408,113 0.953,114 -4.41,115 -4.34,116 -4.09,120 43.1,125 3,126 1,135 1,136 3,143 6,144 1,145 3,147 1,153 1,159 1,163 1,174 8,176 2,177 8,185 7,188 2,189 10,197 4,200 2,201 14,209 4,214 12,222 6,227 4,235 8,239 4,240 3,247 13,251 2,260 9,263 2,264 4,271 5,274 1333,275 20.033,276 20.033,277 20.033,278 20.033,279 20.033,280 17.824,281 18.588,282 11.941,283 20.879,284 15.078,285 15.078,286 15.078,287 15.078,288 15.078,289 11.364,290 18.21,291 5.314,292 16.192,293 4.043,294 2.115,295 1.285,296 0.927,297 0.834,298 0.672,299 4.09,306 1,307 1,308 670,309 3.873,312 68.242,313 183.511,316 129.36,320 1.455,321 27.792,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 63,333 321,334 4.68,335 4.463,336 6.913,337 4.188,338 3.256,339 4.613,340 3.272,341 11.619,342 3.043,343 4.424,344 3.593,345 6.523,346 4.008,347 3.061,348 4.114,349 0.98,350 10.257,351 2.896,352 3.855,353 3.366,354 5.735,355 3.417,356 2.425,357 3.295,358 0.86,359 7.554,360 2.398,361 3.616,362 2.97,363 5.305,364 3.208,365 2.246,366 2.978,367 0.86,368 6.765,369 2.163,370 3.381,371 2.594,372 5.19,373 2.972,374 2.061,375 2.648,376 0.86,377 6.118,378 1.867,379 3.355,380 2.555,381 5.119,382 2.937,383 2.043,384 2.604,386 5.971,387 1.793,388 3.02,389 2.357,390 4.513,391 2.49,392 1.512,393 2.219,395 4.262,396 1.474,397 2.902,398 1.936,399 3.814,400 2.435,401 1.476,402 2.047,404 3.047,405 1.399,406 2.756,407 1.71,408 3.658,409 2.25,410 1.286,411 1.713,413 2.593,414 1.229,415 2.428,416 1.468,417 3.532,418 2.003,419 1.162,420 1.279,422 2.447,423 0.97,424 2.131,425 1.089,426 3.301,427 1.662,428 0.706,429 0.992,431 1.643,432 0.67,433 1.937,434 1.067,435 2.96,436 1.337,437 0.396,438 0.523,440 0.78,441 0.35,442 1.7,443 0.916,444 2.859,445 1.27,446 0.378,447 0.452,449 0.603,450 0.342,451 1.576,452 0.893,453 2.59,454 1.139,455 0.267,456 0.342,458 0.418,459 0.233,460 1.404,461 0.786,462 2.488,463 1.109,464 0.229,465 0.293,467 0.343,468 0.2,469 13.967,470 0.482,471 0.551,472 0.019,473 38.5,474 1.328,475 20,476 0.69,477 18.5,478 0.638,479 22.954,480 0.792,481 31.033,482 0.608,483 31.245,484 1.077,485 8.047,486 0.277,487 6.074,488 0.209,489 0.167,491 0.315,496 0.817,497 1.297,498 0.727,499 1.06,500 0.692,501 0.962,502 1.24,503 1.007,504 0.971,505 0.922,506 0.843,507 0.771,508 0.904,509 1.122,510 0.893,511 0.978,512 0.948,513 0.894,514 1.076,515 1.132,516 1.031,517 1.098,518 1.081,519 0.983,520 1.604,521 1.033,522 1.283,523 1.045,524 1.292,525 1.058,526 1.38,527 1.07,528 1.294,529 1.113,530 1.832,531 1.219,532 0.388,533 0.835,534 0.65,535 0.798,536 0.762,537 0.895,538 0.573,539 0.927,540 0.827,541 0.921,542 0.924,543 0.886,544 5,545 0.213,546 3.111,547 2.792,548 2.077,549 0.858,550 0.578,551 0.378,552 0.299,553 0.288,554 9926,555 29512,556 2.013,557 43.1,559 22,567 1.723,568 1.871,569 3.425,570 -0.751,575 83.079,576 1.629,577 3.557,578 4.387,579 4.745,580 4.839,581 5.001,582 2.81,583 4.375,584 4.832,585 3.585,586 1455.51,587 8.43,588 19920.5,593 289.294,594 1.453,595 4.78,596 0.161,597 0.007,598 0.074,599 0.059,600 0.044,601 0.021,602 0.017,603 0.011,604 0.009,605 0.009,606 0.414,607 0.17,608 1,609 1.334,610 147.181,611 -0.022,612 -0.215,613 0.075,614 -0.083,615 -0.074,616 -0.037,617 -0.076,618 0.057,619 0.072,620 0.111,621 -0.05,622 0.16,623 0.12,624 -0.05,625 0.085,626 0.04,627 0.021,628 0.039,629 0.025,630 -0.048,631 -0.006,632 -0.088,633 0.07,634 -0.06,635 -0.309,636 -0.022,637 -0.245,638 -0.035,639 -0.113,640 -0.127,641 -0.283,642 -0.079,643 -0.369,644 -0.163,645 -0.318,646 -0.276,647 0.312,648 0.071,649 0.223,650 0.122,651 0.259,652 0.142,653 0.184,654 0.031,655 0.164,656 0.071,657 0.119,658 0.141,659 1.862,660 6.019,661 0.517,662 26.721,663 1.008,664 1.116,665 3.181,666 10.121,667 0.688,668 3.466,669 3.761,670 4.078,671 4.369,672 4.554,673 4.575,674 4.644,675 4.673,676 4.644,677 4.727,678 6.66,679 0.654,680 410.53,681 3.466,682 4.99,683 5.849,684 6.735,685 7.617,686 8.512,687 9.402,688 10.3,689 11.194,690 12.093,691 3.9,699 1,701 1,708 2,709 6,710 1,714 5,715 1,716 16,735 3,738 51,739 19,740 2,741 31,743 53,744 22,745 13,746 6,747 6,748 3,752 3,753 4,768 18,769 4,772 3,773 1,778 1,780 3,782 1,789 22,790 5,792 7,793 1,794 1,797 2,803 0.667,804 4,822 1,823 2,826 1,843 1,845 3,855 2,856 1,857 1,859 3,862 29,869 1,872 3,873 1,886 7.8,889 1,891 3,893 15.5,894 10.233,895 6.833,896 2.674,898 3.849,899 1.522,900 0.954,901 7.15,902 11.227,903 3.761,904 4.353,905 5.013,906 5.637,907 6.166,908 6.471,909 6.844,910 7.175,911 7.312,912 7.663,913 1,914 47,915 10.667,917 4.354,918 7.782,919 20.08,921 15.549,924 2.282,925 66.167,928 1,929 258.964,930 195.423,931 18.685,933 58.145,935 32.22,936 163.204,937 317.109,938 18.685,939 32.649,940 16.667,941 85.286,942 46.635,943 56.652,944 2.144,945 291.184,947 258.964,948 181.888,949 58.145,950 32.22,952 258.964,953 58.145,956 5.636,957 131.038,958 45.214,959 32.22,960 258.964,961 76.829,962 195.423,965 258.964,966 61.721,967 119.834,969 90.697,970 258.964,971 76.829,972 195.423,973 0.559,974 0.352,975 0.208,976 0.115,977 18,978 9,979 0.151,980 8,981 1,982 1.133,983 3.929,984 249.545,985 0.133,986 15,987 130.127,989 1,993 21.183,994 9.788,995 4.559,996 1.534,997 74.93,998 11.122,999 4.571,1003 2.925,1004 1.609,1006 531.217,1007 42,1008 3.736,1013 13.019,1015 5.001,1017 -0.195,1020 51.425,1021 56.906,1022 0.287,1023 0.627,1024 0.773,1025 0.837,1026 0.853,1027 0.882,1028 4.977,1029 1.476,1030 5.826,1031 4.262,1032 4.443,1033 5.04,1034 3.359,1035 6.668,1036 4.317,1037 6.188,1038 1.286,1039 7.402,1040 3.047,1041 4.007,1042 4.902,1044 7.664,1045 3.839,1046 7.504,1047 1.162,1048 9.083,1049 2.593,1050 6.052,1051 7.311,1052 5.462,1053 10.798,1054 5.818,1055 8.865,1056 0.706,1057 10.828,1058 2.447,1059 6.494,1060 8.059,1062 12.654,1063 6.195,1064 10.262,1065 0.396,1066 12.615,1067 1.643,1068 7.978,1069 9.919,1070 7.808,1071 15.309,1072 7.632,1073 11.687,1074 0.378,1075 14.43,1076 0.78,1077 8.823,1078 11.078,1080 17.513,1081 8.398,1082 13.133,1083 0.267,1084 16.266,1085 0.603,1086 10.097,1087 12.724,1088 10.177,1089 20.015,1090 9.626,1091 3.256,1092 0.229,1093 18.118,1094 0.418,1095 11.124,1096 14.076,1098 22.357,1099 10.572,1100 3.061,1101 11.619,1102 19.982,1103 0.343,1104 12.321,1105 15.638,1106 12.548,1107 24.81,1108 11.716,1109 2.425,1110 10.257,1111 21.856,1112 4.613,1113 13.426,1114 17.077,1116 27.207,1117 12.743,1118 2.246,1119 7.554,1120 23.739,1121 4.114,1122 14.597,1123 18.606,1124 14.919,1125 29.646,1126 13.855,1127 2.061,1128 6.765,1129 25.628,1130 3.295,1131 15.735,1132 20.086,1134 32.066,1135 14.919,1136 2.043,1137 6.118,1138 27.523,1139 2.978,1140 16.9,1141 21.604,1142 17.29,1143 34.503,1144 16.02,1145 1.512,1146 5.971,1147 29.422,1148 2.648,1149 18.052,1150 23.103,1152 36.934,1153 17.101,1154 9880,1155 17173,1156 20.285,1157 35.091,1158 45.684,1159 49.458,1160 48.392,1161 44.883,1162 45.01,1163 60.224,1164 13.664,1165 128.842,1166 42.051,1167 5.462,1168 6.463,1169 6.773,1170 5.297,1171 5.256,1172 7.613,1173 6.545,1174 18.726,1175 5.043,1176 15.942,1177 1.474,1178 1.595,1179 1.561,1180 1.448,1181 1.452,1182 1.943,1183 0.441,1184 4.156,1185 1.356,1186 4.119,1187 4.153,1188 4.171,1189 4.008,1190 7.429,1191 4.018,1192 3.944,1193 3.952,1194 3.911,1195 3.859,1196 5.007,1197 3.868,1198 3.59,1199 3.628,1200 3.724,1201 3.535,1202 4.965,1203 3.482,1204 3.545,1205 3.58,1206 3.495,1207 3.407,1208 4.701,1209 3.415,1210 3.318,1211 3.367,1212 3.236,1213 3.17,1214 4.58,1215 3.168,1216 3.303,1217 3.355,1218 3.144,1219 3.006,1220 4.474,1221 3.026,1222 3.215,1223 3.289,1224 3.064,1225 2.933,1226 4.356,1227 2.937,1228 3.126,1229 3.194,1230 2.968,1231 2.885,1232 4.292,1233 2.881,1234 0.151,1235 0.144,1236 0.223,1237 0.135,1238 0.105,1239 4.68,1240 0.149,1241 4.463,1242 0.106,1243 6.913,1244 0.375,1245 4.188,1246 0.098,1247 3.256,1248 4.613,1249 3.272,1250 11.619,1251 3.043,1252 1.932,1253 1.912,1254 2.017,1255 2.038,1256 1.13,1257 2.03,1258 1.891,1259 1.875,1260 1.976,1261 1.992,1262 1.095,1263 1.986,1264 1.621,1265 1.588,1266 1.79,1267 1.774,1268 0.912,1269 1.784,1270 1.517,1271 1.482,1272 1.662,1273 1.69,1274 0.679,1275 1.698,1276 1.267,1277 1.221,1278 1.59,1279 1.558,1280 0.584,1281 1.565,1282 1.227,1283 1.163,1284 1.569,1285 1.522,1286 0.571,1287 1.534,1288 1.168,1289 1.085,1290 1.503,1291 1.485,1292 0.548,1293 1.5,1294 1.095,1295 1.022,1296 1.294,1297 1.307,1298 0.39,1299 1.329,1300 4.143,1302 5.442,1303 2.398,1304 6.954,1305 4.844,1306 8.568,1307 7.05,1308 10.239,1310 4.652,1315 0.66,1318 16.07,1319 1.462,1326 33.357,1327 83.079,1328 181.412,1329 223.745,1330 242.009,1331 246.764,1332 255.029,1333 53.793,1334 7.378,1335 62.58,1336 87.88,1337 17,1338 12.616,1339 4.322,1340 3.585,1341 52.357,1342 117,1343 113,1344 0.22,1345 211.052,1346 368.65,1347 506.728,1348 15693,1350 20.803,1351 0.717,1352 0.599,1353 21.156,1354 17.363,1355 14.121,1356 0.456,1357 0.318,1358 8.771,1359 12.989,1360 8.365,1361 7.041,1362 14.575,1363 9.847,1364 11.725,1365 0.279,1366 0.165,1367 12.308,1368 6.936,1369 10.231,1370 0.176,1371 0.088,1372 10.915,1373 5.121,1374 8.814,1375 0.113,1376 0.047,1377 9.513,1378 3.634,1379 7.141,1380 0.076,1381 0.027,1382 7.828,1383 2.524,1384 0.345,1385 94.1,1386 0.222,1387 27.388,1388 0.606,1389 146,1390 487.093,1391 185.435,1392 477.684,1393 649.8,1394 450,1395 173,1396 456.372,1397 208.746,1398 476.105,1399 698.3,1400 442,1401 4.986}
{0 CHEMBL1546853,1 1.611,2 9.792,3 5.168,4 26.711,5 92.227,6 8.687,7 0.778,8 3.796,9 3.883,10 3.508,11 3.398,12 4.931,13 3.391,14 4.293,15 4.417,16 3.873,17 3.756,18 5.412,19 3.739,20 4.481,21 4.662,22 3.835,23 3.794,24 5.521,25 3.736,26 4.416,27 4.591,28 3.724,29 3.73,30 5.418,31 3.676,32 4.44,33 4.629,34 3.682,35 3.721,36 5.436,37 3.655,38 4.474,39 4.68,40 3.605,41 3.713,42 5.429,43 3.621,44 4.397,45 4.616,46 3.512,47 3.65,48 5.347,49 3.549,50 4.175,51 4.383,52 3.384,53 3.508,54 5.166,55 3.408,56 0.033,57 0.512,58 5.857,59 3.326,60 4.85,61 3.846,62 0.167,63 0.851,64 11.878,65 5.511,66 14.497,67 6.18,68 0.438,69 0.998,70 20.355,71 7.123,72 28.496,73 8.403,74 0.235,75 0.972,76 17.252,77 6.368,78 19.674,79 7.444,80 0.339,81 0.969,82 17.072,83 6.855,84 26.431,85 8.283,86 0.348,87 0.958,88 18.916,89 7.78,90 27.4,91 9.629,92 0.283,93 0.879,94 20.628,95 7.458,96 26.745,97 9.275,98 0.238,99 0.709,100 16.425,101 5.838,102 20.935,103 7.362,104 2,105 37,106 0.282,107 0.569,108 0.731,109 0.862,110 0.871,111 0.871,112 3.229,113 0.896,114 -4.81,115 -4.72,116 -4.43,120 48.7,126 2,143 10,145 2,147 1,152 1,153 2,162 1,174 6,176 1,177 6,185 6,188 3,189 8,197 5,201 4,213 1,214 6,222 2,226 1,227 7,235 4,240 4,247 4,252 5,260 8,264 2,271 10,274 892,275 16.706,276 16.706,277 16.706,278 16.706,279 16.706,280 14.215,281 9.968,282 10.064,283 17.131,284 13.369,285 13.369,286 13.369,287 13.369,288 13.369,289 9.701,290 8.753,291 4.808,292 14.139,293 3.675,294 2.033,295 1.108,296 0.359,297 0.308,298 0.308,299 3.93,303 1,306 1,307 1,308 523,309 2.55,312 102.278,313 138.999,316 96.15,320 1.344,321 15.98,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 51.333,333 235,334 4.669,335 3.286,336 6.855,337 4.194,338 3.248,339 4.608,340 0.86,341 11.449,342 3.072,343 4.011,344 2.999,345 5.989,346 3.578,347 2.618,348 3.619,350 8.416,351 2.561,352 4.008,353 2.721,354 5.413,355 3.55,356 2.588,357 3.614,359 7.156,360 2.423,361 3.456,362 2.588,363 5.194,364 3.028,365 2.133,366 2.825,368 6.051,369 1.946,370 3.402,371 2.121,372 4.888,373 2.932,374 2.007,375 2.704,377 5.686,378 1.737,379 3.126,380 1.678,381 4.537,382 2.616,383 1.655,384 2.422,386 4.447,387 1.586,388 2.843,389 1.544,390 3.776,391 2.357,392 1.365,393 2.005,395 3.012,396 1.353,397 2.526,398 1.364,399 3.608,400 2.232,401 1.281,402 1.533,404 2.906,405 1.207,406 2.5,407 1.03,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.239,416 1,417 3.332,418 1.814,419 0.86,420 1.153,422 2.046,423 0.812,424 2.118,425 0.69,426 3.182,427 1.618,428 0.618,429 0.927,431 1.504,432 0.618,433 2.005,434 0.618,435 3,436 1.544,437 0.603,438 0.833,440 1.372,441 0.562,442 1.339,443 0.514,444 2.698,445 0.974,446 0.089,447 0.107,449 0.203,450 0.072,451 0.927,452 0.006,453 2.38,454 0.513,455 -0.358,456 -0.435,458 -0.831,459 -0.273,460 0.689,461 -0.489,462 2.125,463 0.218,464 -0.732,465 -0.937,467 -1.816,468 -0.653,469 11.681,470 0.487,471 0.448,472 0.019,473 34.5,474 1.438,475 18.5,476 0.771,477 16,478 0.667,479 15.9,480 0.663,481 24.319,482 0.624,483 22.748,484 0.948,485 7.01,486 0.292,487 4.799,488 0.2,489 0.061,491 0.291,496 0.8,497 1.248,498 0.561,499 0.956,500 0.719,501 0.839,502 1.141,503 1.193,504 0.734,505 0.953,506 0.875,507 0.908,508 1.181,509 0.956,510 1.012,511 0.861,512 1.07,513 0.9,514 1.199,515 1.235,516 1.048,517 1.11,518 1.171,519 1.095,520 0.918,521 0.99,522 0.751,523 1.032,524 0.811,525 1.057,526 0.947,527 0.991,528 0.723,529 0.965,530 0.785,531 1.011,532 1.065,533 0.868,534 0.944,535 0.914,536 1,537 0.934,538 0.856,539 0.832,540 1.003,541 0.952,542 0.986,543 0.963,544 3.5,545 0.118,546 2.444,547 1.417,548 1.014,549 0.427,550 0.317,551 0.256,552 0.126,553 0.098,554 6813,555 20211,556 2.187,557 38.5,559 14,560 1,567 1.67,568 2.118,569 3.241,570 -0.782,575 62.817,576 1.611,577 3.253,578 4.177,579 4.926,580 4.978,581 4.978,582 2.622,583 4.168,584 4.555,585 3.415,586 942.652,587 7.868,588 11156.5,593 206.131,594 1.099,595 4.546,596 0.13,597 0.008,598 0.066,599 0.042,600 0.033,601 0.015,602 0.012,603 0.01,604 0.006,605 0.005,606 0.326,607 0.33,608 1,609 0.382,610 114.039,611 -0.025,612 -0.213,613 0.037,614 -0.098,615 -0.053,616 -0.023,617 -0.1,618 -0.14,619 -0.018,620 -0.078,621 -0.028,622 -0.071,623 -0.015,624 0.079,625 -0.062,626 0.079,627 -0.032,628 0.024,629 -0.189,630 -0.163,631 -0.198,632 -0.209,633 -0.229,634 -0.2,635 0.06,636 0.029,637 -0.036,638 -0.114,639 0.049,640 -0.119,641 0.058,642 -0.052,643 0.038,644 0.005,645 0.082,646 -0.008,647 -0.101,648 0.065,650 0.091,651 -0.049,652 0.102,653 -0.03,654 0.121,655 -0.039,656 0.044,657 -0.058,658 0.056,659 0.976,660 2.318,661 0.833,662 19.986,663 1.009,664 1.109,665 3.575,666 12.782,667 0.721,668 3.332,669 3.638,670 3.932,671 4.22,672 4.407,673 4.477,674 4.585,675 4.691,676 4.682,677 4.7,678 5.9,679 0.692,680 338.81,681 3.332,682 4.86,683 5.714,684 6.589,685 7.465,686 8.35,687 9.236,688 10.127,689 11.019,690 11.915,691 5.1,699 1,701 1,708 2,709 11,710 1,712 1,714 4,715 1,716 21,735 1,737 1,738 39,739 21,740 2,741 27,743 42,744 19,745 17,746 4,747 8,752 4,753 5,754 1,768 17,769 2,788 1,789 15,790 3,792 5,793 1,794 1,797 2,803 0.75,804 2,822 2,823 2,826 1,855 3,860 1,862 24,869 2,872 1,885 1,886 5.1,891 2,893 11.333,894 7.043,895 5.278,896 2.294,898 3.78,899 1.522,900 1.027,901 4.28,902 11.028,903 3.651,904 4.29,905 4.933,906 5.566,907 6.046,908 6.374,909 6.782,910 7.198,911 7.365,912 7.602,913 1,914 34,915 8.809,917 3.718,918 7.63,919 16.905,921 13.792,924 2.13,925 51.111,929 176.567,930 134.009,931 18.685,932 39.149,933 20.507,936 134.009,937 236.222,938 18.685,940 6.698,941 106.502,942 19.113,943 33.294,944 19.364,945 164.795,946 39.149,947 176.567,948 152.694,949 20.507,950 39.149,952 176.567,953 20.507,956 13.069,957 122.839,958 55.934,960 176.567,961 39.192,962 173.158,965 176.567,966 27.507,967 108.401,969 76.441,970 176.567,971 39.192,972 173.158,973 0.573,974 0.336,975 0.189,976 0.102,977 19,978 7,979 0.119,980 5,981 1,982 1.1,983 3.753,984 197.443,985 0.1,986 20,987 106.039,993 15.303,994 6.713,995 3.214,996 1.999,997 37.293,998 20.834,999 4.689,1001 5.529,1003 3.046,1004 2.115,1006 388.916,1007 37.5,1020 39.367,1021 43.266,1022 0.305,1023 0.615,1024 0.79,1025 0.932,1026 0.942,1027 0.942,1028 4.854,1029 1.281,1030 5.673,1031 3.012,1032 4.317,1033 4.977,1034 0.908,1035 6.472,1036 4.21,1037 6.061,1038 1,1039 7.215,1040 2.906,1041 3.761,1042 4.691,1044 7.357,1045 3.533,1046 7.363,1047 0.86,1048 8.861,1049 2.275,1050 5.883,1051 7.236,1052 0.739,1053 10.499,1054 5.675,1055 8.71,1056 0.618,1057 10.576,1058 2.046,1059 6.236,1060 7.887,1062 12.314,1063 5.924,1064 10.093,1065 0.603,1066 12.336,1067 1.504,1068 7.762,1069 9.814,1070 0.593,1071 14.965,1072 7.452,1073 11.505,1074 0.089,1075 14.129,1076 1.372,1077 8.545,1078 10.914,1080 17.154,1081 8.147,1082 12.938,1083 -0.358,1084 15.947,1085 0.203,1086 9.836,1087 12.591,1088 0.469,1089 19.657,1090 9.42,1091 3.248,1092 -0.732,1093 17.785,1094 -0.831,1095 10.826,1096 13.913,1098 21.995,1099 10.333,1100 2.618,1101 11.449,1102 19.637,1103 -1.816,1104 12.029,1105 15.49,1106 0.366,1107 24.451,1108 11.502,1109 2.588,1110 8.416,1111 21.502,1112 4.608,1113 13.116,1114 16.918,1116 26.847,1117 12.519,1118 2.133,1119 7.156,1120 23.377,1121 3.619,1122 14.29,1123 18.456,1124 0.283,1125 29.289,1126 13.648,1127 2.007,1128 6.051,1129 25.26,1130 3.614,1131 15.421,1132 19.935,1134 31.71,1135 14.715,1136 1.655,1137 5.686,1138 27.15,1139 2.825,1140 16.589,1141 21.461,1142 0.217,1143 34.148,1144 15.831,1145 1.365,1146 4.447,1147 29.045,1148 2.704,1149 17.742,1150 22.964,1152 36.578,1153 16.923,1154 6375,1155 11101,1156 18.781,1157 28.108,1158 40.477,1159 40.766,1160 40.596,1161 40.318,1162 40.13,1163 55.696,1164 1.72,1165 113.045,1166 37.9,1167 5.549,1168 5.286,1169 6.537,1170 5.277,1171 5.248,1172 7.608,1173 1.72,1174 18.797,1175 5.072,1176 6.561,1177 1.499,1178 1.51,1179 1.504,1180 1.493,1181 1.486,1182 2.063,1183 0.064,1184 4.187,1185 1.404,1186 4.144,1187 4.18,1188 4.117,1189 4.013,1190 5.149,1191 4.032,1192 3.892,1193 3.91,1194 3.985,1195 3.828,1196 4.976,1197 3.822,1198 3.82,1199 3.831,1200 3.764,1201 3.683,1202 4.911,1203 3.699,1204 3.505,1205 3.562,1206 3.451,1207 3.333,1208 4.589,1209 3.337,1210 3.206,1211 3.257,1212 3.292,1213 3.024,1214 4.283,1215 3.036,1216 2.924,1217 2.974,1218 3.027,1219 2.794,1220 4.047,1221 2.789,1222 2.854,1223 2.925,1224 2.76,1225 2.735,1226 3.797,1227 2.715,1228 2.814,1229 2.853,1230 2.687,1231 2.718,1232 3.674,1233 2.696,1234 0.173,1235 0.122,1236 0.254,1237 0.155,1238 0.12,1239 4.669,1240 0.171,1241 3.286,1242 0.032,1243 6.855,1244 0.424,1245 4.194,1246 0.114,1247 3.248,1248 4.608,1249 0.86,1250 11.449,1251 3.072,1252 1.924,1253 1.895,1254 2.023,1255 2.035,1256 1.191,1257 2.033,1258 1.865,1259 1.847,1260 1.957,1261 1.955,1262 1.046,1263 1.962,1264 1.639,1265 1.598,1266 1.782,1267 1.827,1268 0.974,1269 1.812,1270 1.444,1271 1.399,1272 1.648,1273 1.588,1274 0.733,1275 1.608,1276 1.29,1277 1.266,1278 1.442,1279 1.557,1280 0.466,1281 1.526,1282 0.957,1283 0.919,1284 1.181,1285 1.21,1286 0.23,1287 1.19,1288 0.923,1289 0.878,1290 1.173,1291 1.11,1292 0.218,1293 1.111,1294 0.886,1295 0.821,1296 1.102,1297 1.062,1298 0.186,1299 1.107,1300 4.007,1302 5.313,1303 3.045,1304 6.81,1305 5.352,1306 8.397,1307 7.434,1308 10.035,1311 5.892,1315 1.189,1318 5.818,1326 26.988,1327 62.817,1328 126.858,1329 162.911,1330 192.131,1331 194.131,1332 194.131,1333 27.017,1334 7.248,1335 40.19,1336 40.19,1337 22,1338 12.441,1339 4.459,1340 3.524,1341 33.835,1342 81,1343 98,1344 0.195,1345 167.019,1346 275.25,1347 399.286,1348 13632,1349 2.6,1350 16.355,1351 0.681,1352 0.567,1353 16.855,1354 13.61,1355 11.81,1356 0.437,1357 0.299,1358 7.612,1359 11.084,1360 7.456,1361 6.13,1362 12.098,1363 8.064,1364 10.373,1365 0.28,1366 0.157,1367 10.781,1368 5.792,1369 8.933,1370 0.179,1371 0.081,1372 9.222,1373 4.045,1374 7.55,1375 0.113,1376 0.042,1377 7.717,1378 2.807,1379 5.955,1380 0.074,1381 0.023,1382 6.191,1383 1.852,1384 0.305,1385 76.796,1386 0.231,1387 23.45,1388 0.541,1389 128,1390 382.965,1391 155.462,1392 396.231,1393 544.36,1394 374,1395 151,1396 390.019,1397 173.924,1398 399.806,1399 588.29,1400 379,1401 4.922}
{0 CHEMBL1547301,1 1.614,2 9.95,3 4.786,4 22.908,5 86.81,6 8.496,7 0.571,8 3.645,9 3.748,10 3.378,11 3.339,12 4.748,13 3.252,14 4.129,15 4.283,16 3.728,17 3.702,18 5.211,19 3.577,20 4.306,21 4.457,22 3.84,23 3.812,24 5.468,25 3.656,26 4.346,27 4.56,28 3.52,29 3.741,30 5.272,31 3.542,32 4.23,33 4.432,34 3.514,35 3.62,36 5.277,37 3.468,38 4.254,39 4.488,40 3.338,41 3.563,42 5.198,43 3.356,44 4.011,45 4.264,46 3.145,47 3.283,48 4.877,49 3.087,50 3.718,51 3.952,52 3.08,53 3.034,54 4.626,55 2.85,56 0.015,57 0.451,58 6.563,59 3.381,60 4.617,61 4.3,62 0.113,63 0.721,64 15.262,65 6.17,66 15.111,67 7.667,68 0.254,69 0.896,70 20.196,71 7.641,72 35.769,73 8.536,74 0.121,75 0.927,76 25.898,77 9.239,78 18.743,79 10.68,80 0.092,81 0.767,82 15.874,83 6.72,84 22.798,85 8.743,86 0.147,87 0.784,88 23.802,89 8.135,90 27.4,91 9.747,92 0.111,93 0.613,94 16.984,95 5.917,96 15.935,97 7.592,98 0.075,99 0.486,100 15.223,101 4.546,102 9.041,103 5.363,104 20,105 28,106 0.296,107 0.594,108 0.713,109 0.803,110 0.848,111 0.848,112 3.056,113 1.092,114 -5.62,115 -5.49,116 -5.12,120 44.4,121 2,126 1,143 7,144 2,145 3,159 1,174 8,180 1,182 2,185 13,189 1,194 3,197 13,201 2,209 7,214 2,219 1,222 13,235 10,240 1,245 2,247 4,257 3,260 3,264 2,269 1,274 494,275 13.248,276 13.248,277 13.248,278 13.248,279 13.248,280 11.541,281 15.007,282 7.855,283 13.518,284 10.288,285 10.288,286 10.288,287 10.288,288 10.288,289 7.734,290 16.045,291 3.695,292 10.804,293 3.556,294 1.925,295 1.275,296 0.785,297 0.542,298 0.542,299 3.714,300 1,306 1,307 1,308 407,309 2.915,313 141.16,320 1.66,321 12.779,323 1,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 41.833,333 199,334 4.259,335 4.571,336 6.094,337 3.842,338 2.895,339 3.902,340 2.95,341 8.877,342 2.753,343 4.038,344 3.629,345 5.543,346 3.637,347 2.665,348 3.628,349 2.092,350 7.53,351 2.578,352 3.681,353 3.225,354 5.239,355 3.31,356 2.358,357 2.955,358 0.466,359 6.666,360 2.22,361 3.452,362 2.565,363 4.924,364 3.07,365 2.088,366 2.74,368 5.683,369 2.035,370 3.266,371 2.453,372 4.711,373 2.859,374 1.891,375 2.489,377 5.117,378 1.799,379 2.821,380 1.948,381 4.125,382 2.393,383 1.414,384 1.95,386 3.648,387 1.375,388 2.5,389 1.899,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 1.706,398 1.084,399 3.09,400 1.367,401 0.508,402 0.578,404 1.127,405 0.408,406 1.503,407 1,408 2.783,409 1.096,410 0.333,411 0.374,413 0.544,414 0.208,415 1.29,416 0.845,417 2.359,418 0.824,419 -0.08,420 -0.101,422 -0.165,423 -0.068,424 0.806,425 0.359,426 2.231,427 0.486,428 -0.513,429 -0.621,431 -1.242,432 -0.511,433 0.757,434 -0.165,435 2,436 0.377,437 -0.581,438 -0.727,440 -1.516,441 -0.534,442 0.5,443 -0.288,444 1.887,446 -1,447 -1.3,449 -2.478,450 -0.953,451 0.361,452 -0.381,453 1.485,454 -0.026,455 -1,456 -1.5,458 -3,459 -1,460 0.032,461 -0.933,462 1.368,463 -0.298,464 -1.275,465 -1.676,467 -3.074,468 -1.243,469 10.281,470 0.514,471 0.506,472 0.025,473 26,474 1.3,475 14.5,476 0.725,477 11.5,478 0.575,479 15.054,480 0.753,481 20.919,482 0.581,483 16.179,484 0.809,485 5.059,486 0.253,487 4.52,488 0.226,489 0.199,491 0.292,496 0.61,497 1.001,498 0.646,499 0.801,500 0.586,501 0.846,502 0.651,503 0.938,504 0.87,505 0.877,506 0.613,507 0.877,508 0.926,509 1.096,510 1.084,511 1.186,512 1.04,513 1.111,514 0.64,515 1.104,516 1.211,517 1.315,518 0.517,519 1.099,520 0.756,521 1.063,522 0.674,523 0.92,524 0.922,525 1.037,526 0.894,527 0.997,528 1.16,529 1.123,530 0.901,531 1.047,532 0.576,533 1.001,534 0.839,535 0.961,536 0.532,537 0.989,538 0.586,539 1.258,540 0.727,541 1.059,542 0.5,543 1.009,544 5,545 0.062,546 2,547 1.063,548 1.156,549 0.354,550 0.403,551 0.26,552 0.099,553 0.141,554 3797,555 12038,556 1.966,557 44.4,558 6,559 9,562 1,567 1.611,568 1.818,569 3.281,570 -0.32,575 58.117,576 1.614,577 3.245,578 3.894,579 4.385,580 4.628,581 4.628,582 2.771,583 4.022,584 4.29,585 3.423,586 650.35,587 7.3,588 6839.68,590 1,593 186.117,594 1.485,595 4.237,596 0.238,597 0.006,598 0.071,599 0.039,600 0.053,601 0.017,602 0.024,603 0.02,604 0.009,605 0.014,606 0.491,607 0.67,608 0.88,609 1.329,610 90.366,611 -0.03,612 0.041,613 0.03,614 0.063,615 -0.079,616 0.038,617 0.103,618 0.077,619 0.032,620 0.083,621 0.044,622 0.064,623 0.068,624 -0.006,625 -0.101,626 -0.112,627 -0.003,628 -0.18,629 -0.027,630 -0.079,631 -0.165,632 -0.17,633 0.047,634 -0.078,635 0.016,636 -0.144,637 0.047,638 -0.048,639 0.002,640 -0.081,641 -0.057,642 -0.058,643 -0.1,644 -0.073,645 -0.063,646 -0.024,647 0.106,648 -0.077,649 0.085,650 -0.02,651 0.032,652 0.024,653 0.113,654 -0.229,655 0.183,656 -0.052,657 0.069,658 -0.022,659 1.86,660 4.185,661 0.6,662 17.17,663 0.997,664 1.108,665 4.393,666 19.294,667 0.724,668 3.091,669 3.367,670 3.526,671 3.689,672 3.892,673 3.784,674 3.829,675 3.912,676 3.85,677 3.85,678 5.778,679 0.666,680 305.85,681 3.091,682 4.595,683 5.398,684 6.24,685 7.062,686 7.906,687 8.736,688 9.58,689 10.414,690 11.258,691 2.8,698 1,709 7,714 5,716 12,738 36,739 13,740 2,741 21,743 37,744 16,745 12,746 5,747 7,750 1,752 2,753 2,754 1,759 3,768 13,769 3,772 1,778 1,782 1,789 16,790 2,791 1,792 4,793 2,797 1,803 1,804 1,823 2,838 1,855 2,856 1,857 1,859 2,860 1,862 20,869 1,871 1,873 1,885 1,886 2.8,889 1,893 11,894 7.06,895 4.528,896 2.009,898 2.322,899 1.371,900 0.963,901 5.239,902 8.578,903 3.367,904 3.932,905 4.388,906 4.881,907 5.414,908 5.416,909 5.671,910 6.053,911 6.281,912 6.568,913 0.857,914 27,915 7.348,917 2.96,918 7.747,919 14.07,921 11.029,924 2.247,925 44.944,926 0.001,929 176.567,930 135.987,931 18.011,932 39.149,933 25.145,935 32.22,936 103.768,937 240.86,938 18.011,939 17.65,940 20.86,941 66.334,942 29.85,943 12.229,945 247.935,947 176.567,948 121.778,949 25.145,950 71.368,952 176.567,953 25.145,956 38.511,957 83.268,958 39.149,959 32.22,960 176.567,961 43.156,962 175.136,965 176.567,966 52.003,967 83.984,968 18.011,969 64.294,970 176.567,971 43.156,972 175.136,973 0.574,974 0.32,975 0.155,976 0.088,977 12,978 6,979 0.081,980 3,982 1,983 3.261,984 136.958,986 12,987 80.439,989 1,993 15.11,994 6.934,995 4.365,997 43.156,998 14.189,1003 5.69,1005 18.011,1006 394.858,1007 28,1013 11.185,1017 -0.193,1020 35.898,1021 39.893,1022 0.312,1023 0.628,1024 0.753,1025 0.848,1026 0.895,1027 0.895,1028 4.564,1029 0.508,1030 5.371,1031 2.275,1032 4.043,1033 4.615,1034 3.28,1035 6.094,1036 3.95,1037 5.764,1038 0.333,1039 6.882,1040 1.127,1041 3.611,1042 4.388,1043 1.593,1044 6.804,1045 3.505,1046 7.053,1047 -0.08,1048 8.483,1049 0.544,1050 5.565,1051 6.746,1052 5.193,1053 9.801,1054 5.386,1055 8.37,1056 -0.513,1057 10.131,1058 -0.165,1059 5.861,1060 7.225,1061 3.32,1062 11.251,1063 5.64,1064 9.71,1065 -0.581,1066 11.808,1067 -1.242,1068 7.315,1069 9.111,1070 7.262,1071 13.771,1072 7.051,1073 11.066,1074 -1,1075 13.506,1076 -1.516,1077 7.962,1078 9.938,1079 4.943,1080 15.569,1081 7.64,1082 12.435,1083 -1,1084 15.218,1085 -2.478,1086 9.197,1087 11.603,1088 9.384,1089 17.895,1090 8.844,1091 2.895,1092 -1.275,1093 16.942,1094 -3,1095 10.029,1096 12.63,1097 6.506,1098 19.873,1099 9.612,1100 2.665,1101 8.877,1102 18.676,1103 -3.074,1104 11.16,1105 14.17,1106 11.529,1107 22.112,1108 10.714,1109 2.358,1110 7.53,1111 20.419,1112 3.902,1113 12.091,1114 15.318,1115 8.035,1116 24.184,1117 11.581,1118 2.088,1119 6.666,1120 22.168,1121 3.628,1122 13.173,1123 16.784,1124 13.683,1125 26.385,1126 12.63,1127 1.891,1128 5.683,1129 23.925,1130 2.955,1131 14.158,1132 18.008,1133 9.544,1134 28.506,1135 13.554,1136 1.414,1137 5.117,1138 25.686,1139 2.74,1140 15.218,1141 19.427,1142 15.843,1143 30.692,1144 14.577,1145 1,1146 3.648,1147 27.453,1148 2.489,1149 16.232,1150 20.699,1151 11.04,1152 32.84,1153 15.533,1154 3892,1155 7053,1156 13.523,1157 26.057,1158 30.453,1159 34.342,1160 31.847,1161 30.176,1162 30.305,1163 40.232,1164 11.017,1165 82.932,1166 28.752,1167 5.064,1168 6.571,1169 5.646,1170 4.961,1171 4.895,1172 6.902,1173 5.9,1174 15.194,1175 4.753,1176 11.262,1177 1.45,1178 1.635,1179 1.517,1180 1.437,1181 1.443,1182 1.916,1183 0.525,1184 3.949,1185 1.369,1186 3.973,1187 3.994,1188 4.095,1189 3.956,1190 7.429,1191 3.924,1192 3.862,1193 3.894,1194 3.844,1195 3.796,1196 4.78,1197 3.791,1198 3.532,1199 3.556,1200 3.746,1201 3.354,1202 4.683,1203 3.357,1204 3.267,1205 3.346,1206 3.381,1207 3.162,1208 4.645,1209 3.12,1210 3.074,1211 3.147,1212 3.058,1213 2.985,1214 3.971,1215 2.933,1216 2.905,1217 2.97,1218 2.964,1219 2.782,1220 3.881,1221 2.752,1222 2.854,1223 2.925,1224 2.734,1225 2.735,1226 3.764,1227 2.715,1228 2.572,1229 2.676,1230 2.687,1231 2.373,1232 3.674,1233 2.327,1234 0.203,1235 0.218,1236 0.29,1237 0.183,1238 0.138,1239 4.259,1240 0.186,1241 4.571,1242 0.14,1243 6.094,1244 0.423,1245 3.842,1246 0.131,1247 2.895,1248 3.902,1249 2.95,1250 8.877,1251 2.753,1252 1.949,1253 1.932,1254 2.04,1255 2.008,1256 1.199,1257 2.031,1258 1.858,1259 1.83,1260 1.966,1261 1.955,1262 1.069,1263 1.963,1264 1.427,1265 1.398,1266 1.632,1267 1.646,1268 0.738,1269 1.64,1270 1.299,1271 1.228,1272 1.56,1273 1.499,1274 0.717,1275 1.551,1276 1.099,1277 1.033,1278 1.418,1279 1.292,1280 0.497,1281 1.347,1282 0.886,1283 0.824,1284 1.181,1285 1.073,1286 0.218,1287 1.107,1288 0.875,1289 0.821,1290 1.059,1291 1.062,1292 0.214,1293 1.104,1294 0.615,1295 0.512,1296 1,1297 0.856,1298 0.069,1299 0.912,1300 3.761,1302 5.043,1304 6.512,1306 8.062,1308 9.653,1310 4.209,1311 5.454,1315 -0.029,1317 2.721,1319 1.717,1326 23.965,1327 58.117,1328 116.814,1329 140.201,1330 157.853,1331 166.608,1332 166.608,1333 30.737,1334 6.256,1335 29.1,1336 54.4,1337 12,1338 11.822,1339 3.807,1340 3,1341 36.706,1342 69,1343 68,1344 0.265,1345 159.224,1346 273.87,1347 380.266,1348 3637,1349 2.8,1350 14.535,1351 0.727,1352 0.651,1353 15.389,1354 13.015,1355 9.58,1356 0.456,1357 0.364,1358 6.376,1359 8.659,1360 5.964,1361 5.015,1362 10.342,1363 7.644,1364 8.527,1365 0.305,1366 0.213,1367 9.4,1368 5.96,1369 6.644,1370 0.201,1371 0.129,1372 7.818,1373 4.246,1374 4.945,1375 0.127,1376 0.072,1377 5.76,1378 2.79,1379 4.012,1380 0.084,1381 0.044,1382 5.008,1383 2.117,1384 0.421,1385 66.435,1386 0.272,1387 20.295,1388 0.709,1389 98,1390 277.132,1391 139.507,1392 323.422,1393 424.49,1394 302,1395 110,1396 262.064,1397 143.987,1398 293.048,1399 420.47,1400 273,1401 5.014}
{0 CHEMBL1547940,1 1.5,2 12.037,3 3.308,4 10.942,5 100.893,6 7.655,7 0.429,8 3.942,9 4.039,10 3.51,11 3.475,12 5.144,13 3.465,14 4.435,15 4.572,16 3.794,17 3.778,18 5.715,19 3.746,20 4.653,21 4.841,22 3.805,23 3.875,24 5.822,25 3.817,26 4.655,27 4.842,28 3.806,29 3.868,30 5.837,31 3.82,32 4.702,33 4.882,34 3.943,35 3.909,36 6.171,37 3.865,38 4.699,39 4.892,40 3.803,41 3.894,42 5.898,43 3.83,44 4.704,45 4.908,46 3.658,47 3.732,48 5.918,49 3.68,50 4.454,51 4.651,52 3.508,53 3.517,54 5.841,55 3.466,56 0.06,57 0.61,58 8.952,59 4.575,60 10.239,61 5.437,62 0.433,63 0.935,64 16.949,65 7.091,66 41.027,67 8.742,68 0.535,69 1.129,70 23.226,71 8.6,72 68.764,73 10.976,74 0.413,75 1.145,76 23.034,77 8.408,78 66.261,79 10.625,80 0.831,81 1.175,82 24.39,83 8.892,84 117.253,85 11.566,86 0.344,87 1.163,88 24.036,89 9.373,90 61.076,91 11.935,92 0.6,93 1.072,94 26.478,95 8.787,96 87.606,97 10.742,98 0.694,99 0.833,100 20.594,101 6.838,102 93.601,103 8.545,104 27,105 35,106 0.255,107 0.549,108 0.682,109 0.743,110 0.777,111 0.784,112 3.339,113 0.911,114 -3.93,115 -3.89,116 -3.69,120 43.8,121 1,126 2,128 1,136 2,143 10,144 2,159 3,174 13,176 2,177 5,180 1,182 2,185 13,188 1,189 4,192 1,194 4,197 10,201 3,206 4,209 9,213 5,214 7,217 1,219 3,222 11,227 9,232 1,235 8,240 10,247 6,251 2,252 6,255 2,260 7,264 4,271 8,274 1265,275 18.25,276 18.25,277 18.25,278 18.25,279 18.25,280 16.228,281 16.885,282 11.47,283 18.563,284 13.813,285 13.813,286 13.813,287 13.813,288 13.813,289 10.698,290 17.318,291 5.428,292 14.161,293 4.085,294 2.354,295 1.573,296 1.214,297 1.016,298 0.974,299 4.006,305 1,306 1,307 1,308 667,309 4.472,313 215.968,320 1.813,321 33.697,323 1,324 1,325 0.83,326 0.83,327 0.6,328 0.5,329 1,330 1,331 0.82,332 59.5,333 325,334 4.26,335 3.698,336 6.513,337 4.01,338 3.025,339 3.734,340 2.064,341 10.243,342 2.979,343 3.864,344 3.584,345 5.247,346 3.472,347 2.494,348 3.298,349 1.674,350 6.469,351 2.419,352 3.736,353 3.506,354 5.179,355 3.304,356 2.318,357 3.154,358 1.625,359 6.4,360 2.278,361 3.646,362 3.295,363 5.029,364 3.278,365 2.278,366 2.843,367 1.161,368 6.066,369 2.274,370 3.491,371 2.361,372 4.84,373 3.11,374 2.113,375 2.658,376 0.226,377 5.559,378 2.069,379 3.086,380 1.814,381 4.091,382 2.663,383 1.666,384 2.298,386 3.701,387 1.66,388 2.781,389 1.795,390 3.555,391 2.317,392 1.317,393 1.908,395 2.88,396 1.317,397 2.5,398 1.717,399 3.398,400 2.038,401 1.121,402 1.5,404 2.215,405 1.014,406 2.5,407 1.38,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 2.429,416 1.092,417 3.247,418 2,419 1,420 1.258,422 2.136,423 1,424 2.08,425 1.046,426 3.245,427 1.781,428 0.835,429 0.986,431 1.898,432 0.783,433 2.042,434 1,435 2.91,436 1.555,437 0.576,438 0.766,440 1.21,441 0.553,442 1.686,443 1,444 2.524,445 1.219,446 0.213,447 0.295,449 0.433,450 0.209,451 0.846,452 0.453,453 2.198,454 0.482,455 -0.52,456 -0.608,458 -0.874,459 -0.512,460 0.719,461 0.279,462 2.121,463 0.399,464 -0.575,465 -0.677,467 -1.271,468 -0.554,469 12.567,470 0.465,471 0.489,472 0.018,473 34.25,474 1.269,475 18,476 0.667,477 16.25,478 0.602,479 19.102,480 0.707,481 29.433,482 0.613,483 28.21,484 1.045,485 7.472,486 0.277,487 5.624,488 0.208,489 0.119,491 0.239,496 0.703,497 1.211,498 0.758,499 1.132,500 0.575,501 0.984,502 0.759,503 1.149,504 0.931,505 1.102,506 0.559,507 1.064,508 0.964,509 1.006,510 0.993,511 0.948,512 0.932,513 0.971,514 1.118,515 1.104,516 1.045,517 1.009,518 1.183,519 1.003,520 0.635,521 0.974,522 0.854,523 0.949,524 0.73,525 0.945,526 0.955,527 1.132,528 0.995,529 1.158,530 1.074,531 1.096,532 1.525,533 0.93,534 1.146,535 0.941,536 1.427,537 0.957,538 1.194,539 0.784,540 1.027,541 0.832,542 1.087,543 0.889,544 4.5,545 0.132,546 2.444,547 1.25,548 1.182,549 0.583,550 0.325,551 0.41,552 0.189,553 0.109,554 8688,555 27274,556 1.975,557 43.8,559 17,562 1,564 3,567 1.701,568 1.862,569 3.499,570 -0.346,571 1,572 1,575 71.991,576 1.5,577 3.231,578 4.012,579 4.371,580 4.569,581 4.611,582 2.88,583 3.94,584 4.723,585 3.715,586 1303.92,587 8.201,588 17698.3,590 1,592 1,593 268.078,594 1.311,595 4.691,596 0.161,597 0.007,598 0.07,599 0.036,600 0.034,601 0.015,602 0.01,603 0.015,604 0.008,605 0.005,606 0.359,607 0.33,608 1,609 2.345,610 136.413,611 -0.033,612 -0.081,613 0.028,614 -0.063,615 -0.055,616 -0.012,617 0.165,618 -0.087,619 -0.038,620 -0.09,621 0.106,622 -0.11,623 -0.012,624 0.012,625 -0.035,626 0.03,627 -0.053,628 -0.004,629 -0.156,630 -0.068,631 -0.09,632 -0.041,633 -0.146,634 -0.047,635 0.371,636 0.05,637 0.112,638 0.022,639 0.343,640 0.013,641 -0.066,642 -0.144,643 -0.045,644 -0.165,645 -0.085,646 -0.109,647 -0.233,648 -0.007,649 -0.092,650 0.008,651 -0.189,652 -0.007,653 0.111,654 0.15,655 0.027,656 0.118,657 0.149,658 0.059,659 2.464,660 5.241,661 0.444,662 27.55,663 1.012,664 1.119,665 2.703,666 7.304,667 0.664,668 3.367,669 3.584,670 3.738,671 3.912,672 4.094,673 3.97,674 4.043,675 4.06,676 3.951,677 3.784,678 7.114,679 0.643,680 367.43,681 3.367,682 4.844,683 5.631,684 6.454,685 7.266,686 8.097,687 8.923,688 9.758,689 10.591,690 11.431,691 2.1,698 1,709 10,714 2,716 12,738 48,739 16,740 2,741 28,743 49,744 21,745 12,746 2,747 10,748 4,752 2,753 2,759 1,766 1,768 17,769 4,772 4,778 3,780 2,782 3,785 1,786 1,789 21,790 6,791 1,792 6,797 1,803 1,804 5,823 2,838 1,841 2,845 2,855 2,859 1,862 27,869 2,871 1,872 2,874 1,886 10.4,889 3,891 2,893 14.5,894 8.667,895 6.306,896 2.812,898 1.867,899 1.289,900 0.92,901 8.269,902 8.335,903 3.664,904 4.111,905 4.527,906 4.943,907 5.444,908 5.328,909 5.659,910 5.962,911 6.123,912 6.109,913 0.875,914 35,915 9.989,917 4.072,918 8.062,919 18.4,921 13.955,924 2.562,925 69.167,928 1,929 235.422,930 157.183,931 18.011,933 97.435,936 157.183,937 332.857,938 18.011,939 8.825,940 27.196,941 113.715,942 94.522,943 28.371,945 235.422,947 235.422,948 175.194,949 97.435,952 200.109,953 132.748,956 36.021,957 120.221,958 18.952,960 235.422,961 115.445,962 157.183,965 235.422,966 34.643,967 122.54,968 18.011,969 97.435,970 235.422,971 115.445,972 157.183,973 0.551,974 0.303,975 0.161,976 0.092,977 12,978 6,979 0.204,980 10,982 1,983 3.925,984 203.762,986 12,987 108.382,993 20.403,994 10.942,995 7.079,997 115.445,998 18.969,1003 1.816,1005 18.011,1006 508.051,1007 38,1013 34.975,1015 1.887,1017 -1.896,1020 48.574,1021 53.697,1022 0.269,1023 0.579,1024 0.718,1025 0.783,1026 0.818,1027 0.826,1028 4.836,1029 1.121,1030 5.557,1031 2.88,1032 4.263,1033 4.796,1034 3.065,1035 6.248,1036 4.222,1037 5.985,1038 1,1039 7.038,1040 2.215,1041 3.611,1042 4.248,1043 1.796,1044 6.952,1045 3.595,1046 7.233,1047 1,1048 8.623,1049 2.136,1050 5.727,1051 6.779,1052 4.076,1053 10.034,1054 5.649,1055 8.511,1056 0.835,1057 10.275,1058 2.136,1059 5.916,1060 6.994,1061 3.285,1062 11.674,1063 5.851,1064 9.819,1065 0.576,1066 11.973,1067 1.898,1068 7.465,1069 9.005,1070 5.225,1071 14.264,1072 7.355,1073 11.148,1074 0.213,1075 13.705,1076 1.21,1077 8.077,1078 9.594,1079 4.79,1080 16.31,1081 7.968,1082 12.492,1083 -0.52,1084 15.465,1085 0.433,1086 9.369,1087 11.355,1088 6.45,1089 18.733,1090 9.231,1091 3.025,1092 -0.575,1093 17.246,1094 -0.874,1095 10.212,1096 12.17,1097 6.295,1098 20.949,1099 10.066,1100 2.494,1101 10.243,1102 19.045,1103 -1.271,1104 11.386,1105 13.781,1106 7.73,1107 23.313,1108 11.22,1109 2.318,1110 6.469,1111 20.857,1112 3.734,1113 12.354,1114 14.748,1115 7.792,1116 25.596,1117 12.175,1118 2.278,1119 6.4,1120 22.682,1121 3.298,1122 13.479,1123 16.261,1124 9.051,1125 27.938,1126 13.283,1127 2.113,1128 6.066,1129 24.516,1130 3.154,1131 14.512,1132 17.333,1133 9.279,1134 30.247,1135 14.303,1136 1.666,1137 5.559,1138 26.357,1139 2.843,1140 15.618,1141 18.78,1142 10.405,1143 32.58,1144 15.394,1145 1.317,1146 3.701,1147 28.206,1148 2.658,1149 16.686,1150 19.927,1151 10.759,1152 34.9,1153 16.448,1154 8819,1155 15759,1156 18.375,1157 31.892,1158 40.917,1159 42.057,1160 41.048,1161 39.87,1162 39.915,1163 52.394,1164 13.501,1165 102.692,1166 39.111,1167 5.193,1168 5.698,1169 6.314,1170 5.077,1171 5.025,1172 6.734,1173 3.865,1174 16.978,1175 4.979,1176 13.713,1177 1.461,1178 1.502,1179 1.466,1180 1.424,1181 1.426,1182 1.871,1183 0.482,1184 3.668,1185 1.397,1186 3.998,1187 4.028,1188 3.934,1189 3.935,1190 7.442,1191 3.931,1192 3.808,1193 3.841,1194 3.729,1195 3.753,1196 7.429,1197 3.743,1198 3.744,1199 3.749,1200 3.69,1201 3.554,1202 7.425,1203 3.582,1204 3.581,1205 3.611,1206 3.504,1207 3.332,1208 4.81,1209 3.366,1210 3.44,1211 3.498,1212 3.308,1213 3.242,1214 4.688,1215 3.237,1216 3.195,1217 3.233,1218 3.073,1219 3.027,1220 4.505,1221 3.029,1222 3.046,1223 3.045,1224 2.959,1225 2.753,1226 4.397,1227 2.821,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.052,1233 2.715,1234 0.152,1235 0.132,1236 0.233,1237 0.143,1238 0.108,1239 4.26,1240 0.133,1241 3.698,1242 0.074,1243 6.513,1244 0.366,1245 4.01,1246 0.106,1247 3.025,1248 3.734,1249 2.064,1250 10.243,1251 2.979,1252 1.975,1253 1.948,1254 2.086,1255 2.059,1256 1.24,1257 2.069,1258 1.824,1259 1.794,1260 1.961,1261 1.905,1262 1.01,1263 1.926,1264 1.635,1265 1.623,1266 1.821,1267 1.859,1268 0.941,1269 1.831,1270 1.482,1271 1.439,1272 1.722,1273 1.755,1274 0.78,1275 1.741,1276 1.413,1277 1.352,1278 1.612,1279 1.632,1280 0.668,1281 1.635,1282 1.149,1283 1.106,1284 1.376,1285 1.37,1286 0.567,1287 1.363,1288 0.886,1289 0.88,1290 1.181,1291 1.2,1292 0.218,1293 1.142,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.043,1302 5.283,1304 6.708,1306 8.216,1308 9.773,1310 1.657,1315 -0.247,1317 2.858,1318 9.515,1320 -0.367,1326 30.863,1327 71.991,1328 155.084,1329 192.594,1330 209.814,1331 219.323,1332 221.323,1333 68.112,1334 6.468,1335 81.7,1336 81.7,1337 12,1338 11.998,1339 4.087,1340 3.459,1341 58.47,1342 113,1343 136,1344 0.245,1345 194.924,1346 353.89,1347 467.375,1348 4626,1350 19.485,1351 0.722,1352 0.554,1353 19.485,1354 14.961,1355 13.097,1356 0.468,1357 0.304,1358 8.38,1359 12.545,1360 8.194,1361 6.841,1362 13.097,1363 8.507,1364 10.955,1365 0.313,1366 0.158,1367 10.955,1368 5.515,1369 8.271,1370 0.202,1371 0.087,1372 8.271,1373 3.559,1374 6.396,1375 0.131,1376 0.048,1377 6.396,1378 2.364,1379 5.207,1380 0.088,1381 0.026,1382 5.207,1383 1.543,1384 0.392,1385 82.536,1386 0.233,1387 26.427,1388 0.651,1389 126,1390 463.011,1391 142.003,1392 432.143,1393 562.92,1394 402,1395 139,1396 382.79,1397 152.294,1398 382.486,1399 550.11,1400 359,1401 4.873}
{0 CHEMBL1548037,1 1.892,2 8.714,3 3.308,4 10.941,5 83.846,6 9.081,7 0.545,8 3.658,9 3.791,10 3.363,11 3.111,12 4.965,13 3.132,14 4.104,15 4.274,16 3.74,17 3.465,18 5.529,19 3.469,20 4.273,21 4.445,22 3.861,23 3.582,24 5.552,25 3.577,26 4.398,27 4.589,28 3.847,29 3.513,30 5.962,31 3.497,32 4.31,33 4.536,34 3.475,35 3.357,36 5.591,37 3.336,38 4.124,39 4.342,40 3.41,41 3.219,42 5.465,43 3.195,44 3.99,45 4.22,46 3.294,47 3.199,48 5.131,49 3.131,50 3.922,51 4.136,52 3.336,53 3.094,54 5.24,55 3.045,56 0.208,57 0.54,58 5.122,59 2.243,60 10.172,61 2.879,62 0.388,63 0.762,64 10.547,65 4.163,66 50.024,67 5.372,68 0.39,69 0.852,70 13.332,71 4.627,72 31.39,73 5.904,74 0.752,75 0.81,76 20.19,77 4.931,78 74.426,79 6.745,80 0.626,81 0.713,82 18.441,83 4.055,84 70.851,85 5.286,86 0.581,87 0.608,88 13.972,89 3.103,90 63.605,91 4.216,92 0.323,93 0.546,94 12.428,95 4.011,96 40.158,97 5.529,98 0.339,99 0.472,100 11.523,101 3.203,102 25.406,103 4.36,104 41,105 31,106 0.349,107 0.715,108 0.828,109 0.864,110 0.864,111 0.864,112 3.103,113 0.863,114 -4.39,115 -4.32,116 -4.08,120 35.3,121 1,125 1,143 3,144 1,145 3,148 2,151 1,164 1,165 1,166 1,167 2,174 3,176 2,179 1,180 4,182 2,185 6,188 2,191 1,192 2,194 1,197 5,200 4,201 4,203 3,204 6,205 3,206 2,208 2,209 1,214 2,217 1,219 1,227 4,230 2,232 4,237 2,240 4,245 2,249 1,252 5,257 4,262 2,264 4,269 2,273 1,274 538,275 13.593,276 13.593,277 13.593,278 13.593,279 13.593,280 11.684,281 22.52,282 7.796,283 14.037,284 10.746,285 10.746,286 10.746,287 10.746,288 10.746,289 7.894,290 38.845,291 3.575,292 11.5,293 3.195,294 1.206,295 0.596,296 0.397,297 0.397,298 0.397,299 3.755,303 1,305 1,306 1,307 1,308 371,309 2.915,313 145.986,320 1.279,321 27.603,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47.333,333 183,334 4.531,335 3.829,336 6.7,337 4.072,338 3.127,339 4.282,340 2.612,341 10.729,342 2.956,343 4.221,344 3.192,345 5.96,346 3.783,347 2.837,348 3.874,349 0.4,350 8.4,351 2.664,352 3.817,353 2.939,354 5.516,355 3.355,356 2.431,357 3.29,358 0.4,359 7.33,360 2.238,361 3.482,362 2.557,363 5.077,364 2.975,365 2.026,366 2.805,368 5.9,369 1.919,370 3.298,371 2.155,372 5.004,373 2.894,374 1.973,375 2.548,377 5.684,378 1.813,379 3.143,380 1.976,381 4.459,382 2.56,383 1.607,384 2.355,386 4.071,387 1.529,388 2.82,389 1.876,390 4.041,391 2.333,392 1.414,393 1.948,395 3.522,396 1.227,397 1.702,398 1,399 3.147,400 1.411,401 0.489,402 0.563,404 0.837,405 0.45,406 1.565,407 0.893,408 2.902,409 1.254,410 0.318,411 0.384,413 0.716,414 0.286,415 1.247,416 0.647,417 2.629,418 0.844,419 -0.06,420 -0.075,422 -0.145,423 -0.05,424 1,425 0.354,426 2.379,427 0.547,428 -0.334,429 -0.402,431 -0.847,432 -0.273,433 0.931,434 0.047,435 2.312,436 0.305,437 -0.585,438 -0.74,440 -1.426,441 -0.498,442 0.761,443 -0.326,444 2,445 0.151,446 -0.791,447 -0.982,449 -1.999,450 -0.721,451 0.519,452 -0.496,453 1.667,455 -1,456 -1.413,458 -2,459 -1,460 0.028,461 -0.944,462 1.432,463 -0.26,464 -1.2,465 -1.84,467 -3.076,468 -1.104,469 9.781,470 0.466,471 0.668,472 0.032,473 30.75,474 1.464,475 16.5,476 0.786,477 14.25,478 0.679,479 13.528,480 0.644,481 23.219,482 0.683,483 22.196,484 1.057,485 6.195,486 0.295,487 3.723,488 0.177,489 0.284,491 0.399,496 0.639,497 1.393,498 0.59,499 0.87,500 0.651,501 0.827,502 0.499,503 0.992,504 0.544,505 0.811,506 0.376,507 0.762,508 0.832,509 1.31,510 0.884,511 1.098,512 0.69,513 1.012,514 0.686,515 1.006,516 1.216,517 1.211,518 0.651,519 1.176,520 1.501,521 0.935,522 1.14,523 0.845,524 1.411,525 0.951,526 1.258,527 0.82,528 0.964,529 0.725,530 1.344,531 0.92,532 0.785,533 1.104,534 0.71,535 0.924,536 0.792,537 0.924,538 0.907,539 1.033,540 0.94,541 1.108,542 0.777,543 1.085,544 5.5,545 0.058,546 2.444,547 2.313,548 1.378,549 0.701,550 0.405,551 0.345,552 0.246,553 0.147,554 3814,555 15106,556 1.915,557 38.2,558 3,559 6,562 4,567 1.632,568 1.726,569 3.111,570 2.062,572 1,574 1,575 64.339,576 1.892,577 3.881,578 4.491,579 4.69,580 4.69,581 4.69,582 2.529,583 3.975,584 4.365,585 3.244,586 681.192,587 7.482,588 7197.34,589 1,590 1,591 1,592 1,593 172.974,594 1.575,595 4.277,596 0.25,597 0.01,598 0.079,599 0.07,600 0.046,601 0.032,602 0.021,603 0.019,604 0.015,605 0.013,606 0.556,608 1,609 1.049,610 94.476,611 0.034,612 -0.097,613 -0.003,614 0.074,615 -0.105,616 0.039,617 0.248,618 0.164,619 0.185,620 0.164,621 0.279,622 0.181,623 -0.055,624 -0.172,625 -0.014,626 -0.125,627 -0.071,628 -0.089,629 0.353,630 0.01,631 -0.142,632 -0.273,633 0.305,634 -0.274,635 -0.421,636 0.003,637 -0.228,638 0.039,639 -0.283,640 -0.037,641 -0.2,642 0.162,643 -0.119,644 0.146,645 -0.234,646 -0.026,647 -0.02,648 -0.171,649 0.171,650 0.098,651 -0.034,652 0.147,653 -0.032,654 -0.061,655 0.06,656 -0.119,657 0.028,658 -0.089,659 2.631,660 3.921,661 0.571,662 15.315,663 1.033,664 1.147,665 3.159,666 9.981,667 0.672,668 3.135,669 3.466,670 3.689,671 3.912,672 4.025,673 4.025,674 4.007,675 4.078,676 4.06,677 4.078,678 5.254,679 0.662,680 308.76,681 3.135,682 4.673,683 5.509,684 6.389,685 7.241,686 8.122,687 8.978,688 9.86,689 10.719,690 11.602,691 17.6,695 1,696 1,699 1,701 2,702 1,709 3,710 2,714 7,716 12,728 1,729 2,731 1,737 1,738 34,739 14,740 1,741 22,743 35,744 12,745 10,746 3,747 3,752 2,753 2,754 1,759 1,768 10,769 2,772 2,775 1,778 2,785 1,786 1,789 13,790 7,791 4,792 9,793 1,797 6,803 1,804 2,817 1,823 2,855 2,859 2,860 1,862 21,863 1,871 2,885 1,886 5.9,892 2,893 12.167,894 6.66,895 4.694,896 1.755,898 2.374,899 1.373,900 0.956,901 4.573,902 8.739,903 3.434,904 4.078,905 4.59,906 5.147,907 5.591,908 5.775,909 5.944,910 6.32,911 6.6,912 6.952,913 0.833,914 33,915 7.67,917 3.21,918 8.204,919 13.834,921 10.596,924 2.704,925 56.778,929 105.94,930 64.405,931 108.16,932 39.149,933 50.747,936 64.405,937 195.835,938 108.16,939 22.892,941 61.326,942 51.582,943 30.21,944 6.555,945 105.94,946 89.896,947 105.94,948 172.565,949 50.747,950 39.149,952 105.94,954 50.747,956 28.735,957 86.578,958 96.401,960 105.94,961 158.907,962 103.554,965 105.94,966 18.755,967 51.32,968 36.022,969 156.364,970 105.94,971 158.907,972 103.554,973 0.588,974 0.348,975 0.183,976 0.091,977 14,978 8,979 0.114,980 4,982 1,983 3.169,984 154.643,986 12,987 90.239,993 15.441,994 6.219,995 3.388,997 153.237,998 5.33,999 7.904,1003 1.771,1005 68.919,1006 368.4,1007 30,1010 -0.631,1013 21.842,1020 35.124,1021 39.013,1022 0.372,1023 0.763,1024 0.883,1025 0.922,1026 0.922,1027 0.922,1028 4.663,1029 0.489,1030 5.525,1031 3.522,1032 4.143,1033 4.762,1034 2.553,1035 6.344,1036 4.011,1037 5.909,1038 0.318,1039 7.102,1040 0.837,1041 3.892,1042 4.783,1043 2.361,1044 7.281,1045 3.681,1046 7.243,1047 -0.06,1048 8.775,1049 0.716,1050 5.753,1051 7.014,1052 4.156,1053 10.348,1054 5.503,1055 8.608,1056 -0.334,1057 10.5,1058 -0.145,1059 6.236,1060 7.756,1061 4.506,1062 12.074,1063 5.908,1064 9.998,1065 -0.585,1066 12.259,1067 -0.847,1068 7.637,1069 9.533,1070 5.948,1071 14.686,1072 7.273,1073 11.406,1074 -0.791,1075 14.041,1076 -1.426,1077 8.459,1078 10.613,1079 6.556,1080 16.77,1081 8.022,1082 12.828,1083 -1,1084 15.842,1085 -1.999,1086 9.683,1087 12.205,1088 7.794,1089 19.219,1090 9.206,1091 3.127,1092 -1.2,1093 17.659,1094 -2,1095 10.665,1096 13.456,1097 8.548,1098 21.464,1099 10.12,1100 2.837,1101 10.729,1102 19.487,1103 -3.076,1104 11.82,1105 14.966,1106 9.67,1107 23.856,1108 11.23,1109 2.431,1110 8.4,1111 21.327,1112 4.282,1113 12.875,1114 16.304,1115 10.509,1116 26.171,1117 12.223,1118 2.026,1119 7.33,1120 23.175,1121 3.874,1122 14.005,1123 17.775,1124 11.563,1125 28.546,1126 13.304,1127 1.973,1128 5.9,1129 25.031,1130 3.29,1131 15.096,1132 19.161,1133 12.452,1134 30.891,1135 14.335,1136 1.607,1137 5.684,1138 26.893,1139 2.805,1140 16.219,1141 20.614,1142 13.468,1143 33.261,1144 15.407,1145 1.414,1146 4.071,1147 28.761,1148 2.548,1149 17.327,1150 22.025,1151 14.386,1152 35.621,1153 16.457,1154 3965,1155 8023,1156 13.641,1157 22.847,1158 32.611,1159 34.272,1160 34.884,1161 32.585,1162 32.447,1163 44.097,1164 6.825,1165 94.377,1166 30.161,1167 5.294,1168 5.829,1169 6.221,1170 5.143,1171 5.127,1172 7.282,1173 4.612,1174 17.606,1175 4.956,1176 13.743,1177 1.482,1178 1.558,1179 1.586,1180 1.481,1181 1.475,1182 2.004,1183 0.31,1184 4.29,1185 1.371,1186 4.003,1187 4.047,1188 4.036,1189 3.884,1190 7.815,1191 3.884,1192 3.891,1193 3.919,1194 3.939,1195 3.707,1196 6.999,1197 3.749,1198 3.47,1199 3.515,1200 3.482,1201 3.111,1202 5.178,1203 3.145,1204 3.329,1205 3.438,1206 3.306,1207 3.027,1208 4.934,1209 3.05,1210 3.186,1211 3.271,1212 3.144,1213 2.871,1214 4.72,1215 2.937,1216 2.946,1217 3.069,1218 3.022,1219 2.795,1220 4.362,1221 2.768,1222 2.878,1223 2.922,1224 2.767,1225 2.587,1226 4.205,1227 2.632,1228 2.674,1229 2.773,1230 2.5,1231 2.392,1232 3.913,1233 2.405,1234 0.206,1235 0.174,1236 0.305,1237 0.185,1238 0.142,1239 4.531,1240 0.195,1241 3.829,1242 0.119,1243 6.7,1244 0.488,1245 4.072,1246 0.134,1247 3.127,1248 4.282,1249 2.612,1250 10.729,1251 2.956,1252 1.916,1253 1.89,1254 2.005,1255 2.098,1256 1.132,1257 2.043,1258 1.79,1259 1.748,1260 1.848,1261 1.974,1262 0.857,1263 1.965,1264 1.284,1265 1.198,1266 1.609,1267 1.673,1268 0.629,1269 1.621,1270 1.254,1271 1.166,1272 1.537,1273 1.583,1274 0.58,1275 1.55,1276 1.058,1277 1.003,1278 1.175,1279 1.427,1280 0.178,1281 1.42,1282 0.868,1283 0.824,1284 1.155,1285 1.239,1286 0.079,1287 1.236,1288 0.839,1289 0.722,1290 1.079,1291 1.019,1293 1.06,1294 0.595,1295 0.509,1296 0.825,1297 0.924,1299 0.925,1300 3.807,1302 5.13,1304 6.648,1306 8.26,1308 9.919,1310 3.396,1311 6.03,1313 5.608,1317 5.53,1326 22.493,1327 64.339,1328 131.954,1329 152.709,1330 159.464,1331 159.464,1332 159.464,1333 42.398,1334 6.365,1335 121.68,1336 121.68,1337 12,1338 12.14,1339 3.907,1340 3.17,1341 39.272,1342 66,1343 62,1344 0.301,1345 147.691,1346 249.95,1347 352.126,1348 3862,1349 2.9,1350 15.569,1351 0.741,1352 0.576,1353 16.069,1354 12.101,1355 9.918,1356 0.451,1357 0.288,1358 5.854,1359 9.079,1360 5.643,1361 4.746,1362 10.207,1363 6.327,1364 9.174,1365 0.296,1366 0.149,1367 9.545,1368 4.633,1369 7.21,1370 0.185,1371 0.081,1372 7.613,1373 3.166,1374 6.006,1375 0.123,1376 0.038,1377 6.256,1378 1.863,1379 4.276,1380 0.078,1381 0.021,1382 4.431,1383 1.138,1384 0.463,1385 66.653,1386 0.271,1387 20.633,1388 0.848,1389 106,1390 396.588,1391 136.549,1392 413.184,1393 540.27,1394 378,1395 123,1396 379.369,1397 149.633,1398 387.901,1399 559.79,1400 361,1401 4.085}
{0 CHEMBL1548075,1 1.525,2 8.545,3 3.841,4 14.753,5 91.914,6 8.117,7 0.8,8 3.756,9 3.876,10 3.462,11 3.412,12 4.862,13 3.357,14 4.252,15 4.416,16 3.915,17 3.822,18 5.294,19 3.752,20 4.387,21 4.544,22 3.973,23 3.897,24 5.467,25 3.814,26 4.519,27 4.728,28 3.903,29 3.92,30 5.526,31 3.773,32 4.423,33 4.643,34 3.573,35 3.744,36 5.42,37 3.587,38 4.273,39 4.524,40 3.471,41 3.563,42 5.182,43 3.427,44 4.073,45 4.284,46 3.291,47 3.439,48 5.114,49 3.336,50 4.104,51 4.367,52 2.988,53 3.351,54 4.959,55 3.188,56 0.038,57 0.588,58 7.452,59 3.322,60 7.571,61 4.151,62 0.087,63 0.959,64 14.75,65 6.064,66 10.088,67 7.763,68 0.127,69 1.131,70 16.952,71 6.17,72 14.915,73 7.866,74 0.184,75 1.24,76 23.778,77 8.982,78 23.93,79 10.879,80 0.273,81 1.157,82 24.776,83 7.721,84 28.29,85 8.663,86 0.115,87 0.917,88 18.872,89 6.795,90 16.04,91 8.675,92 0.138,93 0.783,94 12.808,95 4.419,96 19.805,97 5.626,98 0.139,99 0.75,100 16.63,101 5.742,102 16.565,103 7.346,104 17,105 38,106 0.269,107 0.656,108 0.737,109 0.822,110 0.85,111 0.85,112 3.148,113 0.957,114 -3.92,115 -3.87,116 -3.67,120 44.7,121 3,143 4,144 3,145 1,147 2,153 2,162 2,164 1,165 1,166 1,174 7,177 5,180 1,182 2,185 9,187 1,189 4,194 5,197 4,199 2,201 4,203 2,204 2,205 1,206 4,208 1,209 5,211 2,213 1,214 1,217 1,219 2,222 2,227 2,232 5,235 4,237 3,240 3,245 3,247 5,249 2,252 2,257 1,260 7,262 1,264 1,271 7,274 574,275 14.618,276 14.618,277 14.618,278 14.618,279 14.618,280 12.24,281 10.438,282 8.232,283 14.961,284 12.344,285 12.344,286 12.344,287 12.344,288 12.344,289 8.707,290 10.3,291 3.947,292 12.98,293 3.723,294 1.527,295 1.067,296 0.586,297 0.428,298 0.428,299 3.841,305 1,306 1,307 1,308 416,309 2.236,312 76.917,313 104.619,316 152.289,320 1.273,321 13.96,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 46,333 188,334 4.74,335 3.356,336 6.941,337 4.254,338 3.31,339 4.715,341 11.658,342 3.13,343 4.475,344 3.028,345 6.356,346 3.962,347 2.999,348 4.421,350 9.79,351 2.888,352 3.948,353 2.672,354 5.99,355 3.531,356 2.567,357 3.473,359 8.397,360 2.463,361 3.607,362 2.391,363 5.201,364 3.188,365 2.213,366 3.035,368 6.277,369 2.157,370 3.445,371 2.227,372 5.06,373 3.008,374 2.049,375 2.82,377 5.904,378 1.964,379 3.32,380 1.982,381 4.957,382 2.823,383 1.896,384 2.648,386 5.678,387 1.738,388 3.031,389 1.672,390 4.692,391 2.506,392 1.547,393 2.293,395 4.454,396 1.48,397 2.853,398 1.519,399 4.398,400 2.426,401 1.476,402 1.98,404 4.228,405 1.39,406 2.355,407 0.964,408 4.018,409 1.773,410 0.909,411 1.294,413 2.723,414 0.767,415 1.944,416 0.519,417 3.159,418 1.42,419 0.468,420 0.684,422 1.178,423 0.445,424 1.146,425 0.087,426 2.788,427 0.772,428 -0.171,429 -0.208,431 -0.436,432 -0.16,433 1.025,434 -0.153,435 2.715,436 0.612,437 -0.331,438 -0.438,440 -0.913,441 -0.304,442 0.912,443 -0.183,444 2.462,445 0.528,446 -0.446,447 -0.57,449 -1.134,450 -0.431,451 0.633,452 -0.379,453 2.357,454 0.291,455 -0.648,456 -0.756,458 -1.575,459 -0.612,460 0.52,461 -0.844,462 2.118,463 0.087,464 -0.882,465 -1.26,467 -2.597,468 -0.848,469 10.933,470 0.497,471 0.733,472 0.033,473 30.75,474 1.398,475 16.5,476 0.75,477 14.25,478 0.648,479 17.822,480 0.81,481 22.067,482 0.581,483 19.078,484 0.867,485 5.757,486 0.262,487 4.768,488 0.217,489 0.174,491 0.457,496 1.057,497 1.022,498 0.739,499 0.775,500 1.246,501 0.778,502 0.627,503 1.02,504 0.621,505 0.784,506 0.517,507 0.689,508 1.155,509 1.318,510 0.935,511 1.092,512 1.177,513 1.036,514 0.803,515 1.114,516 1.149,517 1.159,518 0.646,519 1.049,520 1.753,521 1.023,522 1.768,523 1.345,524 1.775,525 1.186,526 0.958,527 1.065,528 0.919,529 0.949,530 0.658,531 0.88,532 1.74,533 0.96,534 1.096,535 0.902,536 1.816,537 1.034,538 1.18,539 0.826,540 1.168,541 1.002,542 0.971,543 0.999,544 5.5,545 0.057,546 2.667,547 2.646,548 1.673,549 0.691,550 0.471,551 0.3,552 0.206,553 0.105,554 4823,555 11367,556 2.12,557 42.1,558 6,559 4,562 3,563 3,567 1.646,568 1.941,569 3.085,570 1.024,572 1,574 1,575 57.934,576 1.525,577 3.721,578 4.181,579 4.662,580 4.82,581 4.82,582 2.495,583 4.187,584 4.433,585 3.182,586 735.07,587 7.621,588 7720.46,590 1,591 1,592 1,593 199.421,594 1.495,595 4.373,596 0.22,597 0.011,598 0.07,599 0.072,600 0.051,601 0.029,602 0.02,603 0.015,604 0.014,605 0.01,606 0.512,607 0.5,608 1,609 0.65,610 99.096,611 -0.126,612 0.05,613 0.054,614 0.11,615 -0.293,616 0.086,617 0.256,618 -0.002,619 0.299,620 0.179,621 0.243,622 0.244,623 -0.043,624 -0.244,625 0.009,626 -0.15,627 -0.179,628 -0.152,629 0.217,630 -0.097,631 0.013,632 -0.072,633 0.315,634 -0.07,635 -0.338,636 0.099,637 -0.463,638 -0.221,639 -0.399,640 -0.25,641 0.044,642 -0.111,643 0.112,644 0.052,645 0.253,646 0.121,647 -0.449,648 0.1,649 -0.258,650 -0.053,651 -0.411,652 -0.153,653 -0.214,654 0.114,655 -0.169,656 -0.015,657 -0.055,658 0.009,659 0.902,660 2.384,661 0.818,662 15.017,663 0.994,664 1.116,665 2.685,666 7.211,667 0.717,668 3.258,669 3.664,670 3.989,671 4.344,672 4.554,673 4.727,674 4.852,675 5.024,676 5.081,677 5.1,678 5.027,679 0.669,680 308.44,681 3.258,682 4.844,683 5.733,684 6.658,685 7.564,686 8.492,687 9.405,688 10.335,689 11.252,690 12.183,691 10.5,695 1,699 1,701 2,708 4,709 4,710 2,711 1,713 1,714 6,716 20,728 1,738 38,739 20,740 1,741 25,743 41,744 17,745 14,746 3,747 3,752 4,753 6,759 3,768 14,769 3,786 1,789 16,790 3,791 3,792 5,793 1,794 1,797 4,803 0.5,816 1,822 2,823 2,826 2,855 2,857 1,859 3,862 22,863 1,880 1,893 11.333,894 7.983,895 4.583,896 2.228,898 4.077,899 1.548,900 1.072,901 2.981,902 11.519,903 3.584,904 4.35,905 5.061,906 5.78,907 6.351,908 6.838,909 7.321,910 7.863,911 8.215,912 8.611,913 0.833,914 37,915 8.1,917 3.506,918 7.545,919 15.721,921 13.33,924 2.045,925 45,926 0.001,929 153.024,930 118.407,931 83.254,935 31.278,936 87.13,937 153.024,938 83.254,939 26.476,941 70.802,942 36.216,943 33.387,944 3.503,945 184.302,947 153.024,948 170.384,950 31.278,952 153.024,956 50.807,957 86.006,958 33.571,959 31.278,960 153.024,961 83.254,962 118.407,965 153.024,966 54.027,967 64.381,968 16.786,969 66.468,970 153.024,971 83.254,972 118.407,973 0.605,974 0.359,975 0.205,976 0.109,977 22,978 10,979 0.024,980 1,981 2,982 1.222,983 3.363,984 188.06,985 0.222,986 18,987 96.107,989 1,993 13.709,994 4.783,995 2.136,996 4.009,997 66.468,998 8.273,999 9.307,1000 3.366,1002 1.595,1003 5.916,1005 49.683,1006 354.686,1007 35,1020 37.785,1021 42.404,1022 0.291,1023 0.709,1024 0.797,1025 0.888,1026 0.918,1027 0.918,1028 4.844,1029 1.476,1030 5.765,1031 4.454,1032 4.344,1033 5.037,1035 6.65,1036 4.244,1037 6.126,1038 0.909,1039 7.371,1040 4.228,1041 4.111,1042 5.094,1044 7.644,1045 3.979,1046 7.485,1047 0.468,1048 9.071,1049 2.723,1050 6.014,1051 7.438,1053 10.792,1054 5.825,1055 8.881,1056 -0.171,1057 10.824,1058 1.178,1059 6.553,1060 8.294,1062 12.612,1063 6.317,1064 10.306,1065 -0.331,1066 12.611,1067 -0.436,1068 7.984,1069 10.141,1071 15.291,1072 7.7,1073 11.754,1074 -0.446,1075 14.425,1076 -0.913,1077 8.876,1078 11.37,1080 17.466,1081 8.535,1082 13.219,1083 -0.648,1084 16.258,1085 -1.134,1086 10.134,1087 13.023,1089 19.984,1090 9.747,1091 3.31,1092 -0.882,1093 18.107,1094 -1.575,1095 11.185,1096 14.423,1098 22.311,1099 10.738,1100 2.999,1101 11.658,1102 19.969,1103 -2.597,1104 12.382,1105 15.999,1107 24.774,1108 11.887,1109 2.567,1110 9.79,1111 21.841,1112 4.715,1113 13.503,1114 17.474,1116 27.166,1117 12.948,1118 2.213,1119 8.397,1120 23.722,1121 4.421,1122 14.682,1123 19.022,1125 29.613,1126 14.075,1127 2.049,1128 6.277,1129 25.611,1130 3.473,1131 15.834,1132 20.53,1134 32.035,1135 15.168,1136 1.896,1137 5.904,1138 27.505,1139 3.035,1140 17.01,1141 22.068,1143 34.479,1144 16.29,1145 1.547,1146 5.678,1147 29.405,1148 2.82,1149 18.177,1150 23.59,1152 36.915,1153 17.399,1154 4584,1155 7182,1156 16.531,1157 27.239,1158 39.436,1159 38.707,1160 40.746,1161 38.823,1162 38.867,1163 54.728,1165 120.575,1166 36.842,1167 5.425,1168 5.356,1169 6.244,1170 5.399,1171 5.31,1172 7.715,1174 19.139,1175 5.13,1176 11.386,1177 1.577,1178 1.548,1179 1.63,1180 1.553,1181 1.555,1182 2.189,1184 4.823,1185 1.474,1186 4.161,1187 4.19,1188 4.358,1189 4.118,1190 5.171,1191 4.091,1192 4.008,1193 4.034,1194 4.022,1195 3.94,1196 5.007,1197 3.938,1198 3.554,1199 3.603,1200 3.575,1201 3.478,1202 4.781,1203 3.453,1204 3.369,1205 3.438,1206 3.324,1207 3.23,1208 4.366,1209 3.223,1210 3.222,1211 3.307,1212 3.135,1213 3.077,1214 4.012,1215 3.044,1216 2.978,1217 3.058,1218 2.844,1219 2.835,1220 3.984,1221 2.824,1222 2.881,1223 3.001,1224 2.808,1225 2.631,1226 3.88,1227 2.617,1228 2.788,1229 2.885,1230 2.588,1231 2.566,1232 3.561,1233 2.545,1234 0.19,1235 0.134,1236 0.278,1237 0.17,1238 0.132,1239 4.74,1240 0.189,1241 3.356,1243 6.941,1244 0.466,1245 4.254,1246 0.125,1247 3.31,1248 4.715,1250 11.658,1251 3.13,1252 1.935,1253 1.907,1254 2.037,1255 2.026,1256 1.16,1257 2.031,1258 1.915,1259 1.891,1260 2.001,1261 2.008,1262 1.156,1263 2.012,1264 1.586,1265 1.565,1266 1.658,1267 1.741,1268 0.782,1269 1.731,1270 1.304,1271 1.231,1272 1.593,1273 1.529,1274 0.686,1275 1.557,1276 1.232,1277 1.165,1278 1.508,1279 1.443,1280 0.606,1281 1.479,1282 1.125,1283 1.059,1284 1.348,1285 1.371,1286 0.483,1287 1.386,1288 1.007,1289 0.952,1290 1.191,1291 1.198,1292 0.21,1293 1.24,1294 0.805,1295 0.716,1296 1.101,1297 1.041,1298 0.113,1299 1.07,1300 3.932,1302 5.313,1303 3.045,1304 6.876,1305 5.476,1306 8.527,1307 7.644,1308 10.225,1310 6.148,1313 6.384,1326 25.434,1327 57.934,1328 141.382,1329 158.892,1330 177.157,1331 183.157,1332 183.157,1333 25.624,1334 7.442,1335 67.59,1336 95.83,1337 22,1338 12.687,1339 4.392,1340 3.459,1341 29.868,1342 66,1343 66,1344 0.229,1345 159.156,1346 251.01,1347 380.1,1348 15655,1350 15.43,1351 0.701,1352 0.614,1353 15.784,1354 13.506,1355 10.525,1356 0.421,1357 0.319,1358 7.172,1359 9.882,1360 6.774,1361 5.674,1362 10.933,1363 7.973,1364 10.32,1365 0.272,1366 0.177,1367 10.936,1368 6.711,1369 8.757,1370 0.165,1371 0.094,1372 9.616,1373 4.984,1374 8.083,1375 0.106,1376 0.053,1377 9.128,1378 4.03,1379 6.074,1380 0.065,1381 0.028,1382 7.006,1383 2.589,1384 0.347,1385 68.745,1386 0.246,1387 21.189,1388 0.665,1389 126,1390 303.796,1391 159.423,1392 329.841,1393 473,1394 310,1395 154,1396 356.475,1397 187.743,1398 383.978,1399 569.95,1400 361,1401 4.678}
{0 CHEMBL1548204,1 2.038,2 9.292,3 1.853,4 3.433,5 90.862,6 9.499,7 0.423,8 3.8,9 3.888,10 3.756,11 3.4,12 4.946,13 3.351,14 4.359,15 4.496,16 4.09,17 3.774,18 5.741,19 3.717,20 4.603,21 4.785,22 4.101,23 3.871,24 5.837,25 3.789,26 4.691,27 4.867,28 4.093,29 3.796,30 6.27,31 3.753,32 4.487,33 4.642,34 3.966,35 3.687,36 5.9,37 3.667,38 4.459,39 4.619,40 3.867,41 3.654,42 6.142,43 3.598,44 4.341,45 4.543,46 3.724,47 3.565,48 5.544,49 3.457,50 4.233,51 4.443,52 3.73,53 3.301,54 5.61,55 3.239,56 0.171,57 0.719,58 7.625,59 4.092,60 27.204,61 3.913,62 0.518,63 1.138,64 15.186,65 6.555,66 61.85,67 7.027,68 0.614,69 1.349,70 28.995,71 10.245,72 85.648,73 10.143,74 1.221,75 1.287,76 31.661,77 9.857,78 202.514,79 9.027,80 0.722,81 1.089,82 22.637,83 7.871,84 119.084,85 7.467,86 1.056,87 1.192,88 20.342,89 7.552,90 175.658,91 7.165,92 0.577,93 1.077,94 20.468,95 7.374,96 83.311,97 7.251,98 0.648,99 0.896,100 19.778,101 5.764,102 84.729,103 5.936,104 17,105 37,106 0.362,107 0.681,108 0.783,109 0.83,110 0.83,111 0.83,112 3.229,113 1.116,114 -3.27,115 -3.26,116 -3.13,120 35.9,122 3,126 2,143 3,144 1,145 2,159 1,161 1,163 1,167 1,174 5,176 3,177 5,180 2,182 2,185 3,189 6,192 1,194 2,197 1,200 1,201 13,206 1,209 1,213 1,214 8,222 4,226 3,227 3,230 3,235 6,240 1,247 4,251 3,252 5,257 2,260 1,263 3,264 1,269 1,274 804,275 15.894,276 15.894,277 15.894,278 15.894,279 15.894,280 14.164,281 17.395,282 9.363,283 16.479,284 12.814,285 12.814,286 12.814,287 12.814,288 12.814,289 10.106,290 21.426,291 4.431,292 13.793,293 3.248,294 1.455,295 0.879,296 0.615,297 0.615,298 0.615,299 3.902,305 1,306 1,307 1,308 475,309 3.536,312 73.065,313 165.129,320 1.424,321 47.637,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.5,333 223,334 4.963,335 4.753,336 7.721,337 4.469,338 3.548,339 4.8,340 1.058,341 13.887,342 3.243,343 4.196,344 3.569,345 6.139,346 3.827,347 2.843,348 3.748,349 0.4,350 8.889,351 2.806,352 3.913,353 2.89,354 5.857,355 3.427,356 2.527,357 3.475,359 7.657,360 2.292,361 3.668,362 2.562,363 5.324,364 3.228,365 2.312,366 3.03,368 6.803,369 2.06,370 3.122,371 2.444,372 4.863,373 2.915,374 1.956,375 2.15,377 5.105,378 1.868,379 2.85,380 1.962,381 4.129,382 2.367,383 1.414,384 1.929,386 3.591,387 1.334,388 2.655,389 1.497,390 4.004,391 2.274,392 1.306,393 1.698,395 3.183,396 1.255,397 2.519,398 1.318,399 3.53,400 1.984,401 1.019,402 1.474,404 2.527,405 0.983,406 2.238,407 1.077,408 3.341,409 1.981,410 1,411 1.191,413 2.313,414 0.979,415 2.118,416 1.063,417 3.247,418 1.952,419 1,420 1,422 2.136,423 0.931,424 2,425 0.631,426 3,427 1.449,428 0.618,429 0.927,431 1.372,432 0.5,433 1.247,434 0.618,435 2.911,436 0.824,437 -0.068,438 -0.083,440 -0.164,441 -0.059,442 1,443 0.295,444 2.61,445 0.519,446 -0.451,447 -0.597,449 -1.119,450 -0.423,451 0.971,452 -0.114,453 2.499,454 0.27,455 -0.727,456 -0.763,458 -1.638,459 -0.723,460 0.656,461 -0.724,462 2.205,463 0.158,464 -0.82,465 -1,467 -2.347,468 -0.786,469 11.552,470 0.481,471 0.691,472 0.029,473 30.5,474 1.271,475 15,476 0.625,477 15.5,478 0.646,479 19.386,480 0.808,481 26.848,482 0.688,483 23.05,484 0.96,485 5.577,486 0.232,487 5.904,488 0.246,489 0.111,490 0.072,491 0.251,494 1,496 0.512,497 1.165,498 0.746,499 1.145,500 0.56,501 0.925,502 0.553,503 1.058,504 0.794,505 0.999,506 0.523,507 0.96,508 0.888,509 1.102,510 1.055,511 1.189,512 0.836,513 1.019,514 1.34,515 0.864,516 1.076,517 0.917,518 1.425,519 0.877,520 1.304,521 1.017,522 0.914,523 0.962,524 1.463,525 0.895,526 1.182,527 1.03,528 1.058,529 0.88,530 1.246,531 1.05,532 1.196,533 1.249,534 0.863,535 0.932,536 1.134,537 1.145,538 1.004,539 1.015,540 0.804,541 0.996,542 1.121,543 0.967,544 5.5,545 0.011,546 3.556,547 2.222,548 1.395,549 1.028,550 0.415,551 0.373,552 0.23,553 0.131,554 5979,555 21750,556 2.03,557 38.5,558 2,559 7,561 1,562 1,564 4,567 1.672,568 1.882,569 3.206,570 -0.136,571 1,572 1,575 79.469,576 2.038,577 3.831,578 4.407,579 4.67,580 4.67,581 4.67,582 2.678,583 4.002,584 4.556,585 3.346,586 923.424,587 7.88,588 10638.6,589 1,590 1,592 1,593 206.131,594 1.601,595 4.498,596 0.212,597 0.001,598 0.096,599 0.06,600 0.039,601 0.03,602 0.014,603 0.016,604 0.011,605 0.008,606 0.488,607 0.33,608 1,609 0.622,610 112.867,611 0.054,612 -0.092,613 0.163,614 -0.056,615 -0.052,616 0.015,617 0.177,618 -0.075,619 0.087,620 -0.024,621 0.157,622 -0.026,623 -0.04,624 -0.152,625 0.007,626 -0.122,627 0.011,628 0.011,629 -0.053,630 0.092,631 -0.055,632 0.063,633 -0.008,634 0.076,635 -0.19,636 -0.15,637 -0.012,638 -0.029,639 -0.209,640 0.055,641 0.132,642 0.156,643 -0.189,644 0.033,645 0.118,646 -0.145,647 -0.183,648 -0.108,650 -0.026,651 -0.181,652 -0.158,653 0.085,654 -0.031,655 0.212,656 -0.052,657 -0.057,658 0.006,659 4.874,660 6.103,661 0.708,662 18.833,663 1.035,664 1.136,665 2.045,666 4.181,667 0.697,668 3.296,669 3.638,670 3.892,671 4.094,672 4.22,673 4.234,674 4.277,675 4.29,676 4.277,677 4.263,678 5.592,679 0.67,680 370.47,681 3.296,682 4.844,683 5.694,684 6.578,685 7.448,686 8.338,687 9.217,688 10.111,689 10.994,690 11.89,691 10.3,694 1,698 1,701 2,709 4,710 2,713 1,714 4,716 11,723 1,737 1,738 39,739 14,740 1,741 26,743 41,744 14,745 8,746 3,747 3,748 1,752 3,753 3,763 3,766 3,768 9,769 5,772 3,776 1,778 3,782 1,785 1,786 1,787 1,789 15,790 8,791 1,792 10,793 2,797 4,803 1,804 3,822 1,823 2,855 3,857 2,861 1,862 24,866 1,869 5,871 1,875 1,885 1,886 7.7,889 3,893 12.75,894 6.91,895 5.222,896 2.356,898 1.958,899 1.29,900 0.99,901 5.114,902 8.71,903 3.57,904 4.171,905 4.66,906 5.135,907 5.462,908 5.707,909 5.931,910 6.077,911 6.19,912 6.454,913 1,914 37,915 9.296,917 4.445,918 8.253,919 16.549,921 13.879,924 2.753,925 66.083,929 164.795,930 103.612,931 52.855,933 69.458,934 14.96,935 37.085,936 66.527,937 234.253,938 67.815,940 29.826,941 34.236,942 126.48,943 15.877,944 14.96,945 184.302,947 164.795,948 119.382,949 84.418,950 37.085,952 132.671,953 116.542,956 39.065,957 46.991,958 39.133,959 31.278,960 179.756,961 122.313,962 103.612,964 5.807,965 164.795,966 62.155,967 37.168,968 18.011,969 117.744,970 164.795,971 137.273,972 103.612,973 0.589,974 0.347,975 0.18,976 0.088,977 18,978 8,979 0.098,980 4,982 1,983 3.528,984 195.185,986 17,987 104.039,989 1,992 1,993 17.245,994 7.116,995 3.756,997 137.273,998 4.745,999 7.272,1002 1.127,1003 -1.019,1005 18.011,1006 405.681,1007 34.5,1011 -3.958,1013 37.443,1017 -0.568,1020 40.356,1021 44.292,1022 0.386,1023 0.725,1024 0.834,1025 0.884,1026 0.884,1027 0.884,1028 4.818,1029 1.019,1030 5.72,1031 3.183,1032 4.317,1033 4.856,1034 1.27,1035 6.597,1036 4.183,1037 6.052,1038 1,1039 7.335,1040 2.527,1041 4.111,1042 4.977,1044 7.915,1045 3.887,1046 7.41,1047 1,1048 9.078,1049 2.313,1050 6.019,1051 7.162,1052 1.27,1053 11.011,1054 5.743,1055 8.817,1056 0.618,1057 10.904,1058 2.136,1059 6.673,1060 8.15,1062 13.211,1063 6.29,1064 10.267,1065 -0.068,1066 12.787,1067 1.372,1068 8.108,1069 9.877,1070 1.34,1071 15.955,1072 7.676,1073 11.749,1074 -0.451,1075 14.709,1076 -0.164,1077 9.119,1078 11.204,1080 18.446,1081 8.576,1082 13.254,1083 -0.727,1084 16.661,1085 -1.119,1086 10.411,1087 12.8,1088 1.423,1089 21.106,1090 9.803,1091 3.548,1092 -0.82,1093 18.634,1094 -1.638,1095 11.567,1096 14.263,1098 23.692,1099 10.853,1100 2.843,1101 13.887,1102 20.624,1103 -2.347,1104 12.822,1105 15.825,1106 1.51,1107 26.331,1108 12.028,1109 2.527,1110 8.889,1111 22.626,1112 4.8,1113 14.038,1114 17.344,1116 28.946,1117 13.141,1118 2.312,1119 7.657,1120 24.638,1121 3.748,1122 15.289,1123 18.902,1124 1.599,1125 31.579,1126 14.303,1127 1.956,1128 6.803,1129 26.657,1130 3.475,1131 16.53,1132 20.446,1134 34.204,1135 15.443,1136 1.414,1137 5.105,1138 28.681,1139 3.03,1140 17.785,1141 22.006,1142 1.69,1143 36.836,1144 16.604,1145 1.306,1146 3.591,1147 30.71,1148 2.15,1149 19.037,1150 23.562,1152 39.465,1153 17.758,1154 5836,1155 11346,1156 16.989,1157 27.188,1158 39.29,1159 40.959,1160 39.824,1161 39.101,1162 39.084,1163 50.845,1164 2.917,1165 114.925,1166 36.501,1167 5.963,1168 6.753,1169 7.523,1170 5.574,1171 5.548,1172 7.8,1173 2.117,1174 22.14,1175 5.243,1176 11.549,1177 1.511,1178 1.575,1179 1.532,1180 1.504,1181 1.503,1182 1.956,1183 0.112,1184 4.42,1185 1.404,1186 4.11,1187 4.096,1188 4.744,1189 4.084,1190 8.201,1191 4.005,1192 3.831,1193 3.874,1194 4.193,1195 3.726,1196 7.714,1197 3.689,1198 3.743,1199 3.784,1200 3.781,1201 3.666,1202 7.429,1203 3.606,1204 3.552,1205 3.535,1206 3.576,1207 3.473,1208 6.999,1209 3.398,1210 3.234,1211 3.261,1212 3.244,1213 3.003,1214 5.036,1215 3.034,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 4.544,1221 2.91,1222 2.859,1223 2.95,1224 2.659,1225 2.65,1226 4.247,1227 2.637,1228 2.721,1229 2.794,1230 2.64,1231 2.501,1232 3.834,1233 2.503,1234 0.191,1235 0.183,1236 0.297,1237 0.172,1238 0.136,1239 4.963,1240 0.185,1241 4.753,1242 0.041,1243 7.721,1244 0.534,1245 4.469,1246 0.125,1247 3.548,1248 4.8,1249 1.058,1250 13.887,1251 3.243,1252 1.98,1253 1.988,1254 2.039,1255 2.075,1256 1.417,1257 2.106,1258 1.797,1259 1.746,1260 1.955,1261 1.95,1262 1.151,1263 1.961,1264 1.445,1265 1.464,1266 1.513,1267 1.641,1268 0.825,1269 1.64,1270 1.305,1271 1.308,1272 1.373,1273 1.492,1274 0.716,1275 1.498,1276 1.153,1277 1.09,1278 1.329,1279 1.376,1280 0.503,1281 1.429,1282 1.14,1283 1.064,1284 1.197,1285 1.375,1286 0.366,1287 1.373,1288 0.922,1289 0.883,1290 1.116,1291 1.112,1292 0.211,1293 1.153,1294 0.855,1295 0.765,1296 0.931,1297 1.096,1298 0.022,1299 1.1,1300 3.97,1302 5.303,1303 2.398,1304 6.834,1305 4.443,1306 8.455,1307 6.26,1308 10.126,1312 14.103,1315 3.181,1317 2.491,1321 1.265,1326 26.148,1327 79.469,1328 149.402,1329 171.866,1330 182.131,1331 182.131,1332 182.131,1333 67.436,1334 6.752,1335 92.26,1336 128.88,1337 17,1338 12.417,1339 3.907,1340 3.248,1341 39.13,1342 79,1343 76,1344 0.243,1345 167.945,1346 289.5,1347 401.545,1348 6775,1349 2.6,1350 17.156,1351 0.715,1352 0.593,1353 16.89,1354 14.239,1355 11.481,1356 0.442,1357 0.372,1358 7.418,1359 9.684,1360 7.127,1361 5.87,1362 12.313,1363 9.675,1364 10.677,1365 0.289,1366 0.218,1367 12.072,1368 8.048,1369 8.834,1370 0.184,1371 0.13,1372 10.353,1373 6.227,1374 7.022,1375 0.119,1376 0.077,1377 8.293,1378 4.531,1379 4.998,1380 0.075,1381 0.047,1382 6.068,1383 3.117,1384 0.373,1385 85.674,1386 0.243,1387 23.222,1388 0.69,1389 126,1390 508.307,1391 207.824,1392 498.223,1393 652.98,1394 456,1395 148,1396 422.767,1397 233.168,1398 468.449,1399 683.87,1400 437,1401 4.403}
{0 CHEMBL1548231,1 1.653,2 11.167,3 4.399,4 19.354,5 115.96,6 8.967,7 0.697,8 3.941,9 4.028,10 3.71,11 3.61,12 5.198,13 3.583,14 4.389,15 4.5,16 4.052,17 3.954,18 5.605,19 3.907,20 4.591,21 4.748,22 4.113,23 4.02,24 5.765,25 3.969,26 4.591,27 4.746,28 4.082,29 4.005,30 5.852,31 3.96,32 4.594,33 4.716,34 4.159,35 4.039,36 5.957,37 4.02,38 4.668,39 4.823,40 4.131,41 4.083,42 6.044,43 4.029,44 4.681,45 4.87,46 4.015,47 4.004,48 5.997,49 3.93,50 4.591,51 4.789,52 3.881,53 3.894,54 5.829,55 3.789,56 0.042,57 0.62,58 6.308,59 3.735,60 8.674,61 4.022,62 0.213,63 1.01,64 14.001,65 6.38,66 17.521,67 6.882,68 0.26,69 1.189,70 18.85,71 8.152,72 38.082,73 8.759,74 0.392,75 1.203,76 20.717,77 8.427,78 46.642,79 8.906,80 0.378,81 1.177,82 16.964,83 7.674,84 44.944,85 7.726,86 0.279,87 1.319,88 17.38,89 8.067,90 57.821,91 8.648,92 0.394,93 1.352,94 20.717,95 8.477,96 59.647,97 9.479,98 0.291,99 1.19,100 20.786,101 8.763,102 58.655,103 9.725,104 6,105 44,106 0.276,107 0.571,108 0.67,109 0.757,110 0.806,111 0.828,112 3.441,113 0.92,114 -4.43,115 -4.36,116 -4.11,120 50,126 1,143 11,144 4,146 2,151 1,153 1,154 1,159 2,174 14,176 1,177 8,180 2,182 1,185 16,189 5,194 2,197 14,200 2,201 6,204 1,206 2,209 12,213 2,214 8,217 2,219 4,222 13,226 1,227 7,232 4,235 12,239 2,240 11,245 3,247 10,252 7,260 8,263 2,264 7,271 6,274 1578,275 20.905,276 20.905,277 20.905,278 20.905,279 20.905,280 17.909,281 10.544,282 12.808,283 21.269,284 16.297,285 16.297,286 16.297,287 16.297,288 16.297,289 11.809,290 10.725,291 6.058,292 16.9,293 3.87,294 2.107,295 1.512,296 0.989,297 0.696,298 0.565,299 4.14,306 1,307 1,308 728,309 3.24,312 88.403,313 318.531,320 1.633,321 28.497,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 64,333 335,334 4.684,335 4.459,336 7.015,337 4.307,338 3.312,339 4.44,340 3.359,341 12.035,342 3.297,343 3.974,344 4.091,345 5.992,346 3.587,347 2.613,348 3.503,349 2.035,350 8.433,351 2.567,352 3.915,353 3.577,354 5.738,355 3.511,356 2.543,357 3.449,358 1.737,359 7.753,360 2.484,361 3.871,362 3.241,363 5.36,364 3.382,365 2.476,366 3.381,367 0.146,368 7.009,369 2.228,370 3.605,371 2.632,372 5.021,373 3.174,374 2.178,375 2.813,377 5.929,378 2.116,379 3.373,380 2.55,381 4.617,382 2.748,383 1.752,384 2.501,386 4.497,387 1.744,388 3.12,389 2.449,390 4.466,391 2.601,392 1.613,393 2.247,395 4.211,396 1.593,397 2.97,398 1.804,399 3.684,400 2.421,401 1.48,402 2.076,404 3.129,405 1.371,406 2.91,407 1.698,408 3.616,409 2.269,410 1.285,411 1.873,413 2.939,414 1.262,415 2.527,416 1.667,417 3.494,418 2.038,419 1.043,420 1.532,422 2.572,423 1.037,424 2.5,425 1.344,426 3.247,427 2,428 1,429 1.5,431 2.136,432 1,433 2.5,434 1.064,435 3.247,436 2,437 1,438 1.5,440 2.136,441 1,442 2.5,443 1,444 3.247,445 1.917,446 1,447 1.5,449 2.136,450 0.916,451 2.43,452 1,453 3.188,454 1.442,455 0.57,456 0.806,458 1.336,459 0.479,460 1.787,461 1,462 2.943,463 1.359,464 0.429,465 0.642,467 0.763,468 0.398,469 14.6,470 0.487,471 0.5,472 0.017,473 46.5,474 1.55,475 27.5,476 0.917,477 19,478 0.633,479 20.063,480 0.669,481 29.2,482 0.635,483 34.865,484 1.162,485 9.177,486 0.306,487 5.581,488 0.186,489 0.05,491 0.274,496 0.753,497 1.036,498 0.671,499 0.84,500 0.527,501 0.78,502 0.674,503 1.081,504 1.014,505 1.162,506 0.575,507 1.004,508 1.175,509 1.024,510 0.842,511 0.96,512 1.017,513 0.912,514 1.089,515 0.905,516 1.032,517 0.981,518 0.788,519 0.875,520 1.322,521 0.969,522 0.867,523 0.955,524 1.074,525 0.919,526 1.175,527 1.134,528 0.925,529 0.982,530 1.161,531 1.054,532 1.141,533 0.991,534 0.957,535 0.94,536 1.651,537 1.043,538 1.276,539 1.006,540 1.013,541 0.983,542 1.671,543 1.058,544 4,545 0.107,546 2.444,547 1.979,548 1.843,549 1.015,550 0.523,551 0.444,552 0.227,553 0.202,554 11694,555 35293,556 2.128,557 34.8,559 13,561 2,562 1,567 1.733,568 2.045,569 3.41,570 -0.349,572 1,575 76.042,576 1.653,577 3.417,578 4.011,579 4.534,580 4.828,581 4.958,582 2.848,583 4.323,584 4.873,585 3.604,586 1567.56,587 8.534,588 21709.3,590 1,592 1,593 254.084,594 1.159,595 4.862,596 0.121,597 0.005,598 0.056,599 0.044,600 0.04,601 0.02,602 0.011,603 0.011,604 0.007,605 0.007,606 0.322,607 0.17,608 1,609 0.588,610 153.3,611 -0.048,612 -0.064,613 0.049,614 0.014,615 -0.01,616 0.021,617 0.183,618 -0.087,619 -0.071,620 -0.188,621 -0.003,622 -0.141,623 -0.077,624 -0.071,625 0.099,626 0.002,627 -0.097,628 0.032,629 0.119,630 0.081,631 -0.02,632 0.016,633 0.111,634 0.063,635 0.039,636 -0.009,637 -0.044,638 -0.069,639 0.068,640 -0.067,641 -0.11,642 -0.133,643 -0.094,644 -0.103,645 0.054,646 -0.166,647 -0.043,648 0.015,649 -0.045,650 -0.022,651 -0.151,652 -0.086,653 -0.143,654 -0.056,655 0.029,656 0.032,657 -0.172,658 -0.027,659 1.975,660 5.491,661 0.767,662 30.613,663 1.01,664 1.105,665 3.197,666 10.218,667 0.742,668 3.526,669 3.807,670 4.094,671 4.394,672 4.635,673 4.682,674 4.82,675 4.905,676 4.942,677 4.905,678 6.685,679 0.714,680 412.5,681 3.526,682 5.043,683 5.889,684 6.76,685 7.633,686 8.52,687 9.407,688 10.303,689 11.199,690 12.101,691 8.7,698 1,700 1,701 2,709 13,710 2,712 1,714 7,716 23,718 1,738 46,739 25,740 2,741 33,743 49,744 23,745 20,746 2,747 10,752 4,753 4,767 1,768 21,769 1,772 1,778 1,782 1,786 1,788 1,789 16,790 6,791 1,792 7,793 1,797 4,803 1,804 2,817 1,822 1,823 3,838 1,855 4,856 1,857 1,862 30,869 1,871 1,873 1,877 1,882 1,884 1,886 4.3,889 1,891 1,893 14.667,894 8.433,895 6.806,896 2.603,898 3.161,899 1.426,900 1.005,901 6.126,902 10.579,903 3.882,904 4.44,905 5.041,906 5.663,907 6.2,908 6.457,909 6.885,910 7.27,911 7.609,912 7.792,913 1,914 45,915 11.037,917 4.675,918 7.839,919 20.685,921 16.558,924 2.339,925 70.167,928 1,929 176.567,930 200.663,931 82.641,933 34.652,935 32.22,936 168.444,937 211.219,938 82.641,940 18.91,941 104.239,942 103.565,943 76.424,944 6.142,945 185.244,947 176.567,948 251.085,949 34.652,950 32.22,952 176.567,953 34.652,956 73.778,957 143.736,958 33.571,959 32.22,960 176.567,961 117.293,962 200.663,965 176.567,966 61.728,967 122.334,968 34.612,969 99.283,970 176.567,971 117.293,972 200.663,973 0.561,974 0.331,975 0.194,976 0.113,977 20,978 8,979 0.122,980 6,982 1,983 4.159,984 268.272,986 23,987 131.207,989 1,993 19.757,994 9.301,995 4.561,997 117.293,998 23.968,999 8.17,1001 6.005,1003 3.766,1005 18.011,1006 494.523,1007 47.5,1013 12.491,1017 -0.308,1020 46.44,1021 50.823,1022 0.299,1023 0.619,1024 0.726,1025 0.821,1026 0.874,1027 0.898,1028 5.086,1029 1.48,1030 5.838,1031 4.211,1032 4.489,1033 5.127,1034 3.604,1035 6.635,1036 4.428,1037 6.283,1038 1.285,1039 7.375,1040 3.129,1041 3.892,1042 4.677,1043 1.593,1044 7.538,1045 3.835,1046 7.571,1047 1.043,1048 9.022,1049 2.939,1050 6.043,1051 7.289,1052 5.694,1053 10.707,1054 5.94,1055 8.898,1056 1,1057 10.741,1058 2.572,1059 6.365,1060 7.757,1061 3.522,1062 12.566,1063 6.278,1064 10.261,1065 1,1066 12.51,1067 2.136,1068 7.92,1069 9.754,1070 7.995,1071 15.253,1072 7.804,1073 11.651,1074 1,1075 14.315,1076 2.136,1077 8.691,1078 10.695,1079 5.91,1080 17.496,1081 8.596,1082 13.066,1083 0.57,1084 16.147,1085 2.136,1086 10.005,1087 12.411,1088 10.369,1089 20.04,1090 9.893,1091 3.312,1092 0.429,1093 18,1094 1.336,1095 10.998,1096 13.609,1097 8.482,1098 22.434,1099 10.904,1100 2.613,1101 12.035,1102 19.87,1103 0.763,1104 12.22,1105 15.193,1106 12.77,1107 24.937,1108 12.119,1109 2.543,1110 8.433,1111 21.753,1112 4.44,1113 13.319,1114 16.531,1115 11.074,1116 27.388,1117 13.229,1118 2.476,1119 7.753,1120 23.647,1121 3.503,1122 14.512,1123 18.056,1124 15.179,1125 29.879,1126 14.42,1127 2.178,1128 7.009,1129 25.551,1130 3.449,1131 15.661,1132 19.468,1133 13.65,1134 32.353,1135 15.574,1136 1.752,1137 5.929,1138 27.462,1139 3.381,1140 16.848,1141 20.968,1142 17.591,1143 34.84,1144 16.76,1145 1.613,1146 4.497,1147 29.379,1148 2.813,1149 18.021,1150 22.417,1151 16.206,1152 37.322,1153 17.934,1154 11098,1155 19469,1156 22.652,1157 34.148,1158 50.149,1159 54.214,1160 49.749,1161 48.514,1162 48.585,1163 67.526,1164 14.556,1165 134.026,1166 46.986,1167 5.583,1168 6.459,1169 6.817,1170 5.426,1171 5.312,1172 7.44,1173 6.685,1174 19.395,1175 5.297,1176 9.806,1177 1.52,1178 1.643,1179 1.508,1180 1.47,1181 1.472,1182 2.046,1183 0.441,1184 4.061,1185 1.424,1186 4.076,1187 4.085,1188 4.064,1189 3.996,1190 7.429,1191 4.005,1192 3.843,1193 3.873,1194 3.97,1195 3.79,1196 6.82,1197 3.781,1198 3.813,1199 3.861,1200 3.77,1201 3.691,1202 5.045,1203 3.679,1204 3.723,1205 3.751,1206 3.668,1207 3.595,1208 4.983,1209 3.611,1210 3.48,1211 3.502,1212 3.518,1213 3.349,1214 4.72,1215 3.326,1216 3.079,1217 3.121,1218 3.129,1219 2.91,1220 4.665,1221 2.933,1222 2.913,1223 2.962,1224 3.057,1225 2.803,1226 3.962,1227 2.771,1228 2.854,1229 2.925,1230 2.703,1231 2.735,1232 3.879,1233 2.715,1234 0.142,1235 0.135,1236 0.213,1237 0.131,1238 0.1,1239 4.684,1240 0.135,1241 4.459,1242 0.102,1243 7.015,1244 0.365,1245 4.307,1246 0.1,1247 3.312,1248 4.44,1249 3.359,1250 12.035,1251 3.297,1252 1.953,1253 1.933,1254 2.051,1255 2.017,1256 1.16,1257 2.029,1258 1.863,1259 1.836,1260 1.989,1261 1.946,1262 1.049,1263 1.96,1264 1.735,1265 1.693,1266 1.827,1267 1.906,1268 0.882,1269 1.897,1270 1.567,1271 1.54,1272 1.645,1273 1.781,1274 0.739,1275 1.744,1276 1.391,1277 1.369,1278 1.484,1279 1.52,1280 0.644,1281 1.515,1282 1.199,1283 1.195,1284 1.299,1285 1.412,1286 0.352,1287 1.381,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.205,1302 5.493,1303 2.398,1304 6.986,1305 4.844,1306 8.569,1307 7.05,1308 10.204,1315 0.094,1317 2.728,1319 1.206,1324 9.855,1325 2.192,1326 32.863,1327 76.042,1328 157.169,1329 184.52,1330 208.574,1331 222.084,1332 228.084,1333 51.924,1334 7.418,1335 91.81,1336 117.11,1337 23,1338 12.623,1339 4.7,1340 3.954,1341 46.791,1342 117,1343 138,1344 0.191,1345 207.138,1346 356.55,1347 497.176,1348 15523,1350 20.761,1351 0.692,1352 0.553,1353 21.114,1354 16.596,1355 14.758,1356 0.447,1357 0.307,1358 9.122,1359 13.887,1360 8.847,1361 7.355,1362 15.212,1363 10.12,1364 12.528,1365 0.285,1366 0.163,1367 13.105,1368 7.165,1369 10.588,1370 0.179,1371 0.087,1372 11.326,1373 5.121,1374 9.108,1375 0.114,1376 0.044,1377 9.716,1378 3.555,1379 7.584,1380 0.074,1381 0.024,1382 8.182,1383 2.437,1384 0.297,1385 96.155,1386 0.21,1387 28.256,1388 0.535,1389 154,1390 483.6,1391 190.172,1392 495.817,1393 676.11,1394 464,1395 180,1396 481.558,1397 211.846,1398 502.003,1399 731.74,1400 472,1401 5.034}
{0 CHEMBL1548253,1 1.542,2 10.429,3 5.117,4 26.183,5 108.475,6 8.183,7 0.531,8 3.96,9 4.076,10 3.617,11 3.559,12 5.116,13 3.551,14 4.492,15 4.644,16 4.009,17 3.976,18 5.652,19 3.95,20 4.77,21 4.968,22 4.059,23 4.115,24 5.862,25 4.06,26 4.832,27 5.054,28 4.011,29 4.134,30 5.818,31 4.063,32 4.831,33 5.051,34 4.059,35 4.171,36 5.782,37 4.097,38 4.906,39 5.133,40 4.02,41 4.183,42 5.921,43 4.096,44 4.846,45 5.095,46 3.833,47 4.025,48 5.861,49 3.911,50 4.651,51 4.923,52 3.7,53 3.709,54 5.85,55 3.633,56 0.069,57 0.838,58 7.649,59 4.078,60 7.932,61 4.839,62 0.194,63 1.39,64 14.728,65 7.128,66 19.074,67 8.678,68 0.323,69 1.741,70 23.063,71 9.787,72 47.643,73 12.089,74 0.403,75 1.733,76 25.872,77 9.882,78 50.886,79 12.674,80 0.273,81 1.669,82 25.069,83 10.064,84 35.196,85 13.63,86 0.458,87 1.84,88 27.729,89 10.502,90 48.618,91 13.803,92 0.377,93 1.709,94 27.925,95 10.809,96 51.046,97 14.576,98 0.572,99 1.559,100 26.036,101 9.067,102 73.037,103 11.787,104 5,105 46,106 0.26,107 0.629,108 0.75,109 0.823,110 0.845,111 0.852,112 3.376,113 0.872,114 -7.15,115 -6.94,116 -6.42,120 47.8,122 3,128 1,136 1,137 2,139 1,143 8,144 2,145 2,149 1,163 1,167 1,174 14,176 2,177 2,180 2,182 2,185 17,189 5,192 1,194 3,197 16,201 10,206 3,209 13,214 11,219 4,222 15,227 7,232 4,235 15,240 5,247 10,252 6,260 8,264 2,271 8,274 1172,275 19.309,276 19.309,277 19.309,278 19.309,279 19.309,280 16.755,281 22.263,282 11.296,283 19.645,284 15.829,285 15.829,286 15.829,287 15.829,288 15.829,289 12.013,290 29.887,291 5.403,292 16.448,293 3.982,294 1.802,295 1.087,296 0.652,297 0.522,298 0.478,299 4.09,306 1,307 1,308 653,309 2.449,312 49.499,313 249.235,316 85.267,317 93.805,320 1.571,321 28.943,324 0.75,325 0.83,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.78,332 61,333 292,334 4.623,335 3.687,336 7.04,337 4.3,338 3.334,339 4.146,340 1.296,341 12.127,342 3.226,343 4.19,344 3.023,345 6.305,346 3.796,347 2.813,348 3.751,349 0.4,350 9.491,351 2.764,352 3.99,353 2.912,354 5.877,355 3.55,356 2.589,357 3.594,358 0.194,359 8.128,360 2.506,361 3.972,362 2.862,363 5.469,364 3.519,365 2.557,366 3.517,368 7.251,369 2.432,370 3.61,371 2.683,372 5.198,373 3.222,374 2.278,375 2.917,377 6.335,378 2.14,379 3.438,380 2.381,381 4.978,382 3.03,383 2.081,384 2.721,386 5.83,387 1.953,388 3.114,389 2.095,390 4.826,391 2.734,392 1.755,393 2.249,395 5.27,396 1.706,397 2.815,398 1.8,399 4.58,400 2.524,401 1.56,402 1.875,404 4.46,405 1.501,406 2.575,407 1.452,408 3.946,409 2.27,410 1.305,411 1.597,413 3.177,414 1.255,415 2.5,416 1.152,417 3.613,418 2.009,419 1.097,420 1.5,422 2.476,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.416,434 1,435 3.414,436 2,437 1,438 1.395,440 2.275,441 0.999,442 1.937,443 0.769,444 3.402,445 1.531,446 0.576,447 0.746,449 1.577,450 0.547,451 1.496,452 0.619,453 3.087,454 1.213,455 0.247,456 0.294,458 0.625,459 0.236,460 1.194,461 0.415,462 2.774,463 0.884,464 -0.048,465 -0.055,467 -0.113,468 -0.043,469 13.171,470 0.47,471 0.657,472 0.023,473 37.75,474 1.348,475 19.5,476 0.696,477 18.25,478 0.652,479 22.544,480 0.805,481 28.829,482 0.627,483 27.721,484 0.99,485 7.432,486 0.265,487 6.255,488 0.223,489 0.043,491 0.372,494 2,496 0.55,497 0.932,498 0.654,499 0.926,500 0.495,501 0.844,502 0.579,503 0.92,504 0.783,505 1.018,506 0.511,507 0.973,508 0.878,509 1.019,510 0.97,511 1.059,512 0.828,513 1.046,514 0.831,515 0.839,516 1.028,517 0.928,518 0.689,519 0.991,520 0.46,521 0.782,522 0.839,523 0.951,524 0.287,525 0.971,526 0.703,527 0.792,528 1.087,529 1.004,530 0.589,531 1.095,532 0.634,533 0.916,534 1.005,535 1.135,536 0.61,537 1.156,538 1.083,539 0.984,540 0.876,541 0.895,542 1.232,543 0.859,544 5,545 0.133,546 3.111,547 1.625,548 1.963,549 0.799,550 0.691,551 0.561,552 0.303,553 0.118,554 9547,555 28493,556 2.2,557 39.1,558 6,559 10,561 1,562 1,567 1.716,568 2.1,569 3.3,570 -0.358,575 70.918,576 1.542,577 3.722,578 4.437,579 4.871,580 5.002,581 5.045,582 2.839,583 4.45,584 4.774,585 3.438,586 1299.73,587 8.336,588 16322.4,593 254.084,594 1.264,595 4.757,596 0.156,597 0.009,598 0.068,599 0.035,600 0.044,601 0.017,602 0.016,603 0.016,604 0.01,605 0.006,606 0.376,607 0.5,608 0.75,609 0.444,610 137.708,611 0.01,612 -0.014,613 0.049,614 0.013,615 -0.015,616 0.032,617 0.066,618 -0.012,619 0.002,620 -0.079,621 0.055,622 -0.069,623 -0.06,624 -0.088,625 -0.065,626 -0.086,627 -0.03,628 -0.081,629 -0.115,630 0.009,631 -0.103,632 0.018,633 -0.067,634 -0.02,635 -0.003,636 -0.065,637 0.045,638 -0.008,639 0.041,640 0.023,641 -0.057,642 0.012,643 -0.167,644 -0.069,645 -0.052,646 -0.122,647 0.048,648 -0.131,649 -0.017,650 -0.158,651 0.025,652 -0.12,653 0.139,654 0.038,655 0.26,656 0.125,657 0.058,658 0.193,659 1.925,660 5.461,661 0.893,662 24.622,663 1.011,664 1.13,665 5.92,666 35.045,667 0.695,668 3.497,669 3.85,670 4.174,671 4.511,672 4.828,673 4.97,674 5.187,675 5.384,676 5.476,677 5.549,678 5.916,679 0.675,680 376.44,681 3.497,682 5.056,683 5.932,684 6.834,685 7.733,686 8.644,687 9.554,688 10.471,689 11.388,690 12.308,691 8.7,696 1,699 1,701 2,709 9,710 2,714 5,715 1,716 17,729 1,737 2,738 46,739 19,740 2,741 32,743 50,744 22,745 14,746 4,747 8,748 4,752 5,753 8,763 4,766 4,768 18,769 4,772 2,780 1,782 3,787 2,789 18,790 5,791 1,792 6,797 4,803 0.6,822 1,823 4,826 1,827 1,845 2,846 2,855 3,861 2,862 28,869 3,871 1,874 1,883 1,885 2,893 13.333,894 8.302,895 6,896 2.856,898 3.707,899 1.455,900 1.055,901 4.236,902 11.853,903 3.773,904 4.398,905 4.983,906 5.57,907 6.102,908 6.408,909 6.865,910 7.317,911 7.649,912 7.991,913 1,914 47,915 10.375,917 4.6,918 7.845,919 19.785,921 16.977,924 2.345,925 65.667,928 1,929 200.109,930 137.149,931 53.236,934 29.92,936 137.149,937 200.109,938 83.156,940 7.604,941 85.286,942 65.987,943 43.279,944 29.92,945 188.338,947 200.109,948 190.384,949 29.92,952 230.029,956 19.898,957 106.794,958 63.692,960 230.029,961 53.236,962 137.149,965 200.109,966 43.244,967 95.681,968 18.011,969 63.369,970 200.109,971 83.156,972 137.149,973 0.587,974 0.345,975 0.194,976 0.116,977 25,978 10,979 0.04,980 2,981 2,982 1.16,983 3.936,984 265.028,985 0.16,986 25,987 126.606,993 17.183,994 6.903,995 3.148,997 81.38,998 14.589,999 8.751,1003 2.097,1004 1.854,1005 18.011,1006 420.413,1007 42.5,1015 2.092,1017 3.42,1020 46.501,1021 51.994,1022 0.279,1023 0.674,1024 0.803,1025 0.882,1026 0.906,1027 0.913,1028 5.026,1029 1.56,1030 5.922,1031 5.27,1032 4.533,1033 5.085,1034 1.449,1035 6.767,1036 4.461,1037 6.241,1038 1.305,1039 7.494,1040 4.46,1041 4.111,1042 4.82,1043 0.747,1044 7.73,1045 3.978,1046 7.558,1047 1.097,1048 9.168,1049 3.177,1050 6.151,1051 7.263,1052 1.582,1053 10.886,1054 6.016,1055 8.908,1056 1,1057 10.904,1058 2.476,1059 6.567,1060 7.807,1061 1.313,1062 12.734,1063 6.377,1064 10.29,1065 1,1066 12.683,1067 2.275,1068 8.064,1069 9.691,1070 1.894,1071 15.425,1072 7.87,1073 11.695,1074 0.576,1075 14.492,1076 2.275,1077 8.878,1078 10.62,1079 1.834,1080 17.648,1081 8.636,1082 13.117,1083 0.247,1084 16.326,1085 1.577,1086 10.164,1087 12.255,1088 2.283,1089 20.194,1090 9.91,1091 3.334,1092 -0.048,1093 18.178,1094 0.625,1095 11.173,1096 13.388,1097 2.349,1098 22.574,1099 10.877,1100 2.813,1101 12.127,1102 20.046,1103 -0.113,1104 12.382,1105 14.9,1106 2.72,1107 25.077,1108 12.065,1109 2.589,1110 9.491,1111 21.927,1112 4.146,1113 13.485,1114 16.145,1115 2.863,1116 27.521,1117 13.131,1118 2.557,1119 8.128,1120 23.818,1121 3.751,1122 14.672,1123 17.597,1124 3.187,1125 30.012,1126 14.291,1127 2.278,1128 7.251,1129 25.717,1130 3.594,1131 15.821,1132 18.907,1133 3.378,1134 32.484,1135 15.405,1136 2.081,1137 6.335,1138 27.625,1139 3.517,1140 17.005,1141 20.329,1142 3.674,1143 34.974,1144 16.559,1145 1.755,1146 5.83,1147 29.538,1148 2.917,1149 18.177,1150 21.677,1151 3.893,1152 37.458,1153 17.697,1154 8848,1155 15409,1156 22.076,1157 31.989,1158 49.161,1159 49.193,1160 49.8,1161 48.533,1162 48.383,1163 63.603,1164 3.78,1165 142.594,1166 46.53,1167 5.598,1168 5.687,1169 6.558,1170 5.375,1171 5.334,1172 7.146,1173 2.276,1174 19.758,1175 5.226,1176 10.088,1177 1.536,1178 1.537,1179 1.556,1180 1.517,1181 1.512,1182 1.988,1183 0.118,1184 4.456,1185 1.454,1186 4.097,1187 4.144,1188 4.057,1189 3.991,1190 8.203,1191 3.997,1192 3.917,1193 3.947,1194 3.867,1195 3.847,1196 8.2,1197 3.847,1198 3.82,1199 3.86,1200 3.772,1201 3.716,1202 5.09,1203 3.72,1204 3.695,1205 3.756,1206 3.622,1207 3.486,1208 4.699,1209 3.522,1210 3.231,1211 3.28,1212 3.148,1213 3.12,1214 4.615,1215 3.117,1216 3.152,1217 3.219,1218 3.026,1219 2.999,1220 4.403,1221 2.997,1222 2.935,1223 3.005,1224 2.868,1225 2.742,1226 3.869,1227 2.759,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.82,1233 2.715,1234 0.144,1235 0.115,1236 0.22,1237 0.134,1238 0.104,1239 4.623,1240 0.13,1241 3.687,1242 0.04,1243 7.04,1244 0.379,1245 4.3,1246 0.101,1247 3.334,1248 4.146,1249 1.296,1250 12.127,1251 3.226,1252 2.008,1253 1.98,1254 2.113,1255 2.115,1256 1.419,1257 2.113,1258 1.901,1259 1.877,1260 2.003,1261 1.988,1262 1.144,1263 1.994,1264 1.785,1265 1.751,1266 1.926,1267 1.897,1268 1.061,1269 1.906,1270 1.441,1271 1.376,1272 1.59,1273 1.684,1274 0.8,1275 1.663,1276 1.245,1277 1.183,1278 1.441,1279 1.518,1280 0.642,1281 1.48,1282 1.183,1283 1.113,1284 1.347,1285 1.362,1286 0.342,1287 1.381,1288 0.887,1289 0.821,1290 1.181,1291 1.116,1292 0.237,1293 1.125,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.174,1302 5.517,1303 2.398,1304 7.064,1305 4.595,1306 8.709,1307 6.605,1308 10.41,1312 26.705,1315 2.854,1317 3.424,1320 -0.119,1326 31.067,1327 70.918,1328 171.213,1329 204.084,1330 224.084,1331 230.084,1332 232.084,1333 43.856,1334 8.146,1335 42.74,1336 42.74,1337 29,1338 12.817,1339 4.322,1340 3.524,1341 37.433,1342 98,1343 118,1344 0.189,1345 185.135,1346 324.4,1347 443.488,1348 39871,1349 4.3,1350 19.087,1351 0.682,1352 0.538,1353 17.347,1354 15.07,1355 13.687,1356 0.428,1357 0.291,1358 9.183,1359 13.174,1360 9.046,1361 7.427,1362 12.899,1363 9.304,1364 12.568,1365 0.273,1366 0.154,1367 11.324,1368 7.082,1369 10.926,1370 0.171,1371 0.083,1372 10.104,1373 5.316,1374 9.426,1375 0.105,1376 0.045,1377 9.132,1378 4.039,1379 8.336,1380 0.067,1381 0.025,1382 7.81,1383 3.059,1384 0.288,1385 85.706,1386 0.213,1387 26.201,1388 0.546,1389 156,1390 517.49,1391 172.126,1392 457.051,1393 623.28,1394 428,1395 188,1396 464.551,1397 203.839,1398 458.926,1399 676.22,1400 434,1401 4.684}
{0 CHEMBL1548265,1 1.637,2 8.12,3 4.19,4 17.556,5 103.682,6 8.489,7 0.357,8 3.895,9 3.976,10 3.663,11 3.575,12 4.973,13 3.498,14 4.446,15 4.582,16 4.095,17 4.002,18 5.497,19 3.9,20 4.652,21 4.814,22 4.182,23 4.1,24 5.664,25 3.999,26 4.714,27 4.847,28 4.277,29 4.199,30 5.868,31 4.092,32 4.798,33 4.947,34 4.394,35 4.269,36 5.926,37 4.126,38 4.763,39 4.896,40 4.154,41 4.209,42 5.846,43 4.049,44 4.743,45 4.954,46 3.625,47 3.902,48 5.713,49 3.712,50 4.589,51 4.882,52 3.315,53 3.45,54 5.669,55 3.299,56 0.033,57 0.573,58 8.527,59 4.656,60 7.377,61 5.281,62 0.219,63 1.017,64 19.39,65 8.576,66 22.651,67 9.837,68 0.265,69 1.251,70 27.576,71 10.764,72 27.689,73 11.781,74 0.26,75 1.336,76 27.332,77 11.392,78 39.099,79 12.076,80 0.506,81 1.489,82 36.741,83 13.189,84 59.988,85 13.06,86 0.204,87 1.441,88 37.765,89 14.147,90 23.048,91 14.18,92 0.3,93 1.338,94 33.401,95 12.244,96 40.574,97 13.882,98 0.55,99 1.062,100 28.711,101 9.719,102 79.702,103 12.093,104 20,105 41,106 0.283,107 0.664,108 0.852,109 0.875,110 0.875,111 0.875,112 3.269,113 1.087,114 -4.19,115 -4.14,116 -3.91,120 43.2,121 2,122 3,123 1,126 1,137 1,139 1,143 2,144 2,152 1,153 2,154 1,157 1,159 1,174 7,176 1,177 5,182 2,185 12,189 7,194 2,197 12,201 7,204 1,206 2,209 10,213 2,214 4,219 3,222 15,227 3,232 3,235 12,240 7,247 3,252 6,255 2,260 1,271 3,274 821,275 17.06,276 17.06,277 17.06,278 17.06,279 17.06,280 15.24,281 23.077,282 9.975,283 17.7,284 13.782,285 13.782,286 13.782,287 13.782,288 13.782,289 10.904,290 29.181,291 4.626,292 14.762,293 3.822,294 1.622,295 0.534,296 0.398,297 0.398,298 0.398,299 3.962,306 1,307 1,308 442,309 3.082,312 86.932,313 100.173,316 72.039,317 84.942,320 1.254,321 27.295,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 53.5,333 203,334 4.738,335 3.829,336 7.209,337 4.394,338 3.428,339 4.401,340 1.674,341 12.742,342 3.316,343 4.341,344 3.649,345 6.607,346 3.941,347 2.985,348 3.836,349 1.36,350 10.412,351 2.846,352 3.953,353 3.069,354 6.041,355 3.529,356 2.589,357 3.463,358 0.986,359 8.457,360 2.431,361 3.74,362 2.872,363 5.735,364 3.318,365 2.38,366 3.039,367 0.765,368 7.612,369 2.202,370 3.441,371 2.574,372 5.162,373 2.971,374 2.032,375 2.649,377 5.997,378 1.897,379 2.957,380 2.023,381 4.832,382 2.649,383 1.711,384 2.036,386 4.899,387 1.603,388 2.938,389 1.987,390 4.625,391 2.579,392 1.644,393 2.022,395 4.431,396 1.511,397 2.543,398 1.809,399 4.156,400 2.268,401 1.322,402 1.543,404 3.311,405 1.242,406 2.418,407 1.463,408 3.721,409 2.085,410 1.163,411 1.396,413 2.656,414 1.049,415 2.118,416 1.27,417 3.31,418 1.789,419 0.83,420 0.98,422 1.761,423 0.778,424 2.079,425 0.975,426 3.01,427 1.525,428 0.618,429 0.927,431 1.372,432 0.542,433 1.941,434 0.618,435 3,436 1.46,437 0.612,438 0.767,440 1.277,441 0.505,442 1.165,443 0.401,444 2.927,445 0.791,446 -0.154,447 -0.162,449 -0.383,450 -0.144,451 0.895,452 0.303,453 2.651,454 0.676,455 -0.258,456 -0.322,458 -0.672,459 -0.235,460 0.674,461 0.137,462 2.349,463 0.401,464 -0.55,465 -0.603,467 -0.975,468 -0.517,469 12.567,470 0.503,471 0.645,472 0.026,473 28.5,474 1.14,475 13,476 0.52,477 15.5,478 0.62,479 27.108,480 1.084,481 26.433,482 0.601,483 18.266,484 0.731,485 4.966,486 0.199,487 7.147,488 0.286,489 0.133,491 0.398,496 0.772,497 0.962,498 0.716,499 0.819,500 0.707,501 0.838,502 0.655,503 0.942,504 0.77,505 0.84,506 0.511,507 0.809,508 0.962,509 0.977,510 0.878,511 0.926,512 0.885,513 0.836,514 1.113,515 1.057,516 1.047,517 1.02,518 1.201,519 0.965,520 1.251,521 0.855,522 1.107,523 0.929,524 1.371,525 0.895,526 0.966,527 1.458,528 1.668,529 1.659,530 0.905,531 1.389,532 0.972,533 1.343,534 1.214,535 1.368,536 1.017,537 1.416,538 1.035,539 0.638,540 0.485,541 0.537,542 1.012,543 0.68,544 4,545 0.04,546 2.889,547 2.569,548 2.084,549 1.226,550 0.814,551 0.314,552 0.181,553 0.069,554 5952,555 16761,556 2.105,557 43.2,558 5,559 4,560 1,562 1,563 3,564 5,567 1.691,568 1.948,569 2.933,570 -0.317,572 1,575 72.039,576 1.637,577 3.838,578 4.925,579 5.061,580 5.061,581 5.061,582 2.31,583 4.054,584 4.612,585 3.101,586 930.28,587 8.038,588 10634.2,590 1,592 1,593 240.215,594 1.473,595 4.565,596 0.143,597 0.008,598 0.07,599 0.058,600 0.043,601 0.026,602 0.02,603 0.015,604 0.011,605 0.008,606 0.403,607 0.33,608 1,609 1.166,610 115.998,611 -0.051,612 0.033,613 0.061,614 0.088,615 -0.061,616 0.065,617 0.135,618 0.057,619 0.141,620 0.128,621 0.1,622 0.142,623 -0.03,624 0.035,625 0.084,626 0.051,627 -0.05,628 0.117,629 -0.073,630 -0.023,631 -0.052,632 -0.017,633 -0.032,634 -0.037,635 -0.1,636 0.214,637 0.038,638 0.161,639 -0.133,640 0.054,641 -0.089,642 -0.412,643 -0.392,644 -0.456,645 -0.031,646 -0.394,647 -0.058,648 -0.39,649 -0.275,650 -0.426,651 -0.094,652 -0.436,653 0.241,654 0.234,655 0.3,656 0.256,657 0.262,658 0.32,659 1.953,660 5.336,661 0.72,662 18.554,663 1.004,664 1.107,665 2.965,666 8.79,667 0.716,668 3.367,669 3.738,670 4.111,671 4.489,672 4.754,673 4.977,674 5.176,675 5.347,676 5.384,677 5.333,678 4.939,679 0.665,680 373.53,681 3.367,682 4.934,683 5.832,684 6.758,685 7.683,686 8.622,687 9.558,688 10.503,689 11.443,690 12.39,691 2.3,700 1,709 3,713 2,714 5,716 10,726 1,738 44,739 13,741 28,743 47,744 19,745 8,748 4,752 4,753 7,759 2,763 3,764 1,766 3,768 12,769 7,770 1,772 3,778 1,781 1,782 4,786 1,789 19,790 4,791 1,792 6,793 2,797 1,803 0.5,804 3,822 2,823 2,826 1,827 1,834 1,845 1,846 1,853 1,855 2,857 2,859 2,862 25,868 1,869 4,872 1,874 1,880 2,886 6.8,888 1,889 1,891 1,893 12.833,894 8.65,895 5.5,896 2.928,898 2.532,899 1.333,900 0.98,901 4.631,902 10.141,903 3.611,904 4.227,905 4.85,906 5.477,907 5.912,908 6.412,909 6.866,910 7.273,911 7.506,912 7.667,913 0.667,914 44,915 9.326,917 4.099,918 7.72,919 18.014,921 15.476,924 2.22,925 55.5,928 1,929 211.88,930 142.155,931 16.786,933 78.828,935 62.555,936 79.599,937 290.708,938 16.786,939 17.65,940 12.196,941 26.602,942 77.776,943 38.272,944 14.488,945 262.664,947 211.88,948 96.385,949 78.828,950 62.555,952 153.024,953 137.684,956 47.561,957 48.823,959 62.555,960 211.88,961 95.614,962 142.155,965 211.88,966 97.903,967 44.252,969 95.614,970 211.88,971 95.614,972 142.155,973 0.583,974 0.361,975 0.217,976 0.118,977 22,978 10,979 0.085,980 4,981 2,982 1.222,983 3.495,984 229.434,985 0.222,986 18,987 116.096,989 2,993 17.107,994 6.768,995 2.815,997 95.614,998 6.173,1002 3.082,1003 4.644,1005 42.683,1006 449.648,1007 36,1013 12.336,1016 4.816,1017 2.062,1020 44.189,1021 48.703,1022 0.3,1023 0.703,1024 0.902,1025 0.927,1026 0.927,1027 0.927,1028 4.887,1029 1.322,1030 5.844,1031 4.431,1032 4.419,1033 4.913,1034 2.525,1035 6.756,1036 4.299,1037 6.113,1038 1.163,1039 7.461,1040 3.311,1041 4.111,1042 4.808,1043 1.06,1044 7.851,1045 3.973,1046 7.453,1047 0.83,1048 9.185,1049 2.656,1050 6.094,1051 7.123,1052 3.142,1053 11.052,1054 5.893,1055 8.832,1056 0.618,1057 10.971,1058 1.761,1059 6.648,1060 7.884,1061 1.679,1062 13.006,1063 6.425,1064 10.248,1065 0.612,1066 12.797,1067 1.372,1068 8.105,1069 9.649,1070 3.986,1071 15.738,1072 7.843,1073 11.688,1074 -0.154,1075 14.651,1076 1.277,1077 9.036,1078 10.792,1079 2.248,1080 18.037,1081 8.748,1082 13.147,1083 -0.258,1084 16.526,1085 -0.383,1086 10.315,1087 12.355,1088 4.93,1089 20.624,1090 9.996,1091 3.428,1092 -0.55,1093 18.417,1094 -0.672,1095 11.407,1096 13.672,1097 2.825,1098 23.062,1099 11.06,1100 2.985,1101 12.742,1102 20.32,1103 -0.975,1104 12.631,1105 15.162,1106 5.916,1107 25.607,1108 12.255,1109 2.589,1110 10.412,1111 22.233,1112 4.401,1113 13.792,1114 16.558,1115 3.415,1116 28.102,1117 13.386,1118 2.38,1119 8.457,1120 24.154,1121 3.836,1122 15.003,1123 18.026,1124 6.922,1125 30.637,1126 14.568,1127 2.032,1128 7.612,1129 26.082,1130 3.463,1131 16.194,1132 19.459,1133 4.015,1134 33.156,1135 15.73,1136 1.711,1137 5.997,1138 28.016,1139 3.039,1140 17.405,1141 20.922,1142 7.937,1143 35.691,1144 16.912,1145 1.644,1146 4.899,1147 29.955,1148 2.649,1149 18.612,1150 22.374,1151 4.622,1152 38.222,1153 18.088,1154 5802,1155 9852,1156 18.611,1157 31.517,1158 43.553,1159 43.457,1160 44.53,1161 42.558,1162 42.626,1163 54.119,1164 9.57,1165 129.857,1166 39.843,1167 5.686,1168 5.683,1169 6.978,1170 5.543,1171 5.428,1172 7.191,1173 3.349,1174 20.447,1175 5.316,1176 12.259,1177 1.555,1178 1.552,1179 1.59,1180 1.52,1181 1.522,1182 1.933,1183 0.342,1184 4.638,1185 1.423,1186 4.087,1187 4.097,1188 4.329,1189 4.089,1190 7.433,1191 4.043,1192 3.788,1193 3.791,1194 4.175,1195 3.841,1196 6.466,1197 3.75,1198 3.757,1199 3.782,1200 3.756,1201 3.688,1202 4.819,1203 3.667,1204 3.515,1205 3.569,1206 3.396,1207 3.293,1208 4.618,1209 3.296,1210 3.206,1211 3.264,1212 3.127,1213 3.076,1214 4.466,1215 3.058,1216 3.149,1217 3.202,1218 3.06,1219 2.978,1220 4.256,1221 2.969,1222 3.083,1223 3.13,1224 2.943,1225 2.866,1226 3.883,1227 2.853,1228 2.797,1229 2.842,1230 2.868,1231 2.654,1232 3.637,1233 2.628,1234 0.169,1235 0.137,1236 0.257,1237 0.157,1238 0.122,1239 4.738,1240 0.157,1241 3.829,1242 0.06,1243 7.209,1244 0.455,1245 4.394,1246 0.118,1247 3.428,1248 4.401,1249 1.674,1250 12.742,1251 3.316,1252 1.943,1253 1.921,1254 2.049,1255 2.039,1256 1.379,1257 2.046,1258 1.657,1259 1.635,1260 1.827,1261 1.807,1262 1.109,1263 1.811,1264 1.531,1265 1.506,1266 1.791,1267 1.713,1268 0.942,1269 1.742,1270 1.454,1271 1.409,1272 1.664,1273 1.589,1274 0.829,1275 1.622,1276 1.398,1277 1.356,1278 1.504,1279 1.491,1280 0.661,1281 1.538,1282 1.257,1283 1.261,1284 1.354,1285 1.362,1286 0.6,1287 1.387,1288 1.043,1289 1.003,1290 1.193,1291 1.293,1292 0.463,1293 1.288,1294 0.997,1295 0.943,1296 1.102,1297 1.17,1298 0.333,1299 1.218,1300 4.043,1302 5.398,1303 3.045,1304 6.959,1305 5.352,1306 8.629,1307 7.434,1308 10.362,1310 3.774,1314 10.605,1315 2.831,1318 5.216,1320 -0.04,1326 29.281,1327 72.039,1328 168.857,1329 216.705,1330 222.705,1331 222.705,1332 222.705,1333 45.229,1334 7.609,1335 58.89,1336 115.37,1337 22,1338 12.883,1339 3.807,1340 3.17,1341 35.472,1342 73,1343 93,1344 0.248,1345 184.004,1346 321.93,1347 440.731,1348 18235,1350 17.552,1351 0.702,1352 0.632,1353 18.259,1354 15.798,1355 12.113,1356 0.433,1357 0.362,1358 8.522,1359 10.859,1360 8.12,1361 6.673,1362 12.976,1363 10.148,1364 10.965,1365 0.267,1366 0.2,1367 12.164,1368 8.195,1369 9.751,1370 0.163,1371 0.114,1372 11.296,1373 6.844,1374 8.911,1375 0.101,1376 0.064,1377 10.539,1378 5.619,1379 6.916,1380 0.06,1381 0.036,1382 8.377,1383 4.089,1384 0.366,1385 83.775,1386 0.232,1387 23.266,1388 0.763,1389 138,1390 392.987,1391 196.487,1392 417.256,1393 573.78,1394 392,1395 170,1396 392.081,1397 223.845,1398 424.842,1399 636.87,1400 402,1401 4.094}
{0 CHEMBL1548439,1 1.806,2 10.821,3 4.532,4 20.537,5 108.806,6 9.042,7 0.6,8 3.925,9 4.012,10 3.79,11 3.582,12 5.082,13 3.529,14 4.432,15 4.561,16 4.111,17 3.929,18 5.78,19 3.878,20 4.669,21 4.813,22 4.248,23 4.047,24 6.061,25 3.978,26 4.722,27 4.908,28 4.192,29 4.013,30 6.02,31 3.933,32 4.727,33 4.907,34 4.202,35 3.955,36 6.073,37 3.888,38 4.662,39 4.841,40 4.157,41 3.841,42 6.263,43 3.815,44 4.416,45 4.562,46 3.995,47 3.836,48 5.721,49 3.766,50 4.424,51 4.573,52 3.945,53 3.846,54 5.654,55 3.713,56 0.099,57 0.655,58 8.655,59 4.485,60 17.08,61 4.727,62 0.326,63 1.05,64 17.123,65 7.3,66 57.05,67 8.378,68 0.591,69 1.254,70 21.478,71 8.868,72 78.932,73 10.014,74 0.492,75 1.345,76 28.02,77 9.965,78 55.807,79 10.838,80 0.558,81 1.26,82 32.826,83 10.581,84 85.468,85 11.251,86 0.978,87 1.131,88 29.173,89 8.837,90 172.973,91 9.161,92 0.43,93 0.955,94 18.473,95 6.296,96 61.829,97 6.339,98 0.309,99 0.907,100 25.672,101 8.165,102 35.943,103 9.018,104 37,105 43,106 0.306,107 0.614,108 0.701,109 0.768,110 0.804,111 0.804,112 3.375,113 1.048,114 -4.47,115 -4.4,116 -4.14,120 43.5,121 2,126 1,143 8,144 3,145 2,146 1,147 1,151 1,159 1,174 12,176 2,180 1,182 2,185 12,188 5,189 4,192 1,194 4,197 9,201 9,206 2,209 3,213 1,214 14,217 1,226 2,227 13,230 2,235 2,240 6,245 1,247 5,252 10,257 2,260 3,264 11,269 2,271 4,274 1238,275 18.231,276 18.231,277 18.231,278 18.231,279 18.231,280 15.492,281 16.411,282 10.596,283 18.745,284 14.762,285 14.762,286 14.762,287 14.762,288 14.762,289 10.695,290 16.206,291 5.007,292 15.703,293 3.718,294 1.897,295 1.381,296 0.989,297 0.772,298 0.772,299 4.048,303 1,306 1,307 1,308 638,309 3.808,313 301.13,320 1.75,321 41.978,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.833,333 303,334 4.865,335 5.263,336 7.314,337 4.26,338 3.406,339 4.718,340 3.272,341 12.542,342 2.974,343 4.381,344 3.634,345 6.475,346 4.004,347 3.032,348 4.015,349 1.058,350 9.975,351 2.874,352 4.233,353 3.116,354 6.312,355 3.801,356 2.844,357 3.859,359 9.37,360 2.693,361 3.848,362 3.012,363 5.386,364 3.418,365 2.429,366 3.406,368 6.934,369 2.389,370 3.411,371 2.84,372 4.916,373 2.933,374 1.989,375 2.674,377 5.404,378 1.879,379 3.232,380 2.299,381 4.841,382 2.879,383 1.879,384 2.481,386 5.104,387 1.821,388 3.074,389 2.147,390 4.709,391 2.524,392 1.619,393 2.278,395 4.709,396 1.468,397 2.877,398 1.559,399 4.064,400 2.413,401 1.435,402 2.039,404 3.512,405 1.399,406 2.867,407 1.509,408 3.735,409 2.356,410 1.39,411 2.016,413 3.025,414 1.284,415 2.544,416 1.402,417 3.61,418 2,419 1.039,420 1.507,422 2.617,423 1,424 2.5,425 1.045,426 3.247,427 1.992,428 1,429 1.5,431 2.136,432 0.982,433 1.588,434 1,435 3.145,436 1.324,437 0.347,438 0.405,440 0.816,441 0.331,442 1.247,443 0.927,444 2.928,445 0.847,446 -0.052,447 -0.062,449 -0.129,450 -0.038,451 1.192,452 0.399,453 2.681,454 0.664,455 -0.18,456 -0.233,458 -0.45,459 -0.151,460 1,461 0.003,462 2.352,463 0.653,464 -0.347,465 -0.445,467 -0.757,468 -0.347,469 13.748,470 0.491,471 0.896,472 0.032,473 40.5,474 1.446,475 23,476 0.821,477 17.5,478 0.625,479 21.525,480 0.769,481 29.452,482 0.64,483 32.082,484 1.146,485 7.903,486 0.282,487 5.373,488 0.192,489 0.197,490 0.061,491 0.291,496 0.514,497 1.212,498 0.696,499 1.073,500 0.624,501 0.87,502 0.566,503 1.167,504 0.77,505 1.045,506 0.6,507 0.89,508 0.821,509 1.135,510 0.865,511 1.004,512 0.966,513 1.052,514 0.969,515 1.092,516 0.951,517 1.091,518 0.857,519 0.981,520 1.224,521 1.105,522 0.833,523 1.053,524 1.42,525 0.939,526 1.366,527 0.823,528 0.87,529 0.675,530 1.487,531 0.655,532 1.596,533 0.865,534 1.301,535 0.739,536 1.317,537 0.908,538 1.158,539 1.172,540 1.789,541 1.341,542 0.84,543 1.301,544 7,545 0.157,546 4.222,547 2.438,548 2.018,549 1.285,550 0.571,551 0.509,552 0.464,553 0.149,554 9156,555 28946,556 1.984,557 39.1,558 6,559 10,561 1,562 1,567 1.713,568 1.816,569 3.383,570 -0.288,575 83.077,576 1.806,577 3.626,578 4.143,579 4.534,580 4.752,581 4.752,582 2.815,583 4.379,584 4.78,585 3.559,586 1345.22,587 8.325,588 17623.1,590 1,593 254.084,594 1.678,595 4.706,596 0.233,597 0.01,598 0.098,599 0.054,600 0.049,601 0.032,602 0.014,603 0.015,604 0.015,605 0.006,606 0.527,607 0.17,608 1,609 0.648,610 139.988,611 0.049,612 -0.088,613 0.123,614 -0.036,615 -0.122,616 0.024,617 0.208,618 -0.101,619 0.075,620 -0.056,621 0.157,622 0.03,623 0.195,624 -0.096,625 0.011,626 -0.085,627 0.041,628 -0.155,629 -0.006,630 -0.028,631 0.03,632 -0.077,633 0.063,634 -0.027,635 -0.021,636 -0.14,637 0.148,638 -0.038,639 -0.082,640 0.034,641 0.164,642 0.149,643 0.156,644 0.254,645 0.179,646 0.267,647 -0.432,648 0.211,649 -0.215,650 0.147,651 -0.303,652 -0.05,653 -0.195,654 -0.217,655 -0.324,656 -0.269,657 -0.093,658 -0.306,659 4.753,660 5.696,661 0.643,662 25.23,663 1.016,664 1.115,665 3.239,666 10.491,667 0.717,668 3.434,669 3.784,670 4.007,671 4.205,672 4.394,673 4.394,674 4.382,675 4.454,676 4.489,677 4.5,678 6.43,679 0.683,680 415.93,681 3.434,682 4.99,683 5.832,684 6.715,685 7.575,686 8.461,687 9.327,688 10.215,689 11.085,690 11.974,691 6.5,698 1,701 2,709 9,710 2,714 7,716 18,723 1,737 1,738 46,739 21,740 2,741 30,743 48,744 20,745 16,746 4,747 8,748 1,752 3,753 3,754 1,759 2,768 17,769 3,772 3,776 1,778 3,782 1,786 1,789 18,790 6,791 1,792 8,793 2,797 3,803 1,804 3,817 1,823 3,855 3,857 1,859 2,860 1,862 28,865 1,869 1,871 1,885 1,886 6.5,889 3,893 15.417,894 8.96,895 6.069,896 2.558,898 3.122,899 1.439,900 0.987,901 5.9,902 10.229,903 3.761,904 4.413,905 4.911,906 5.422,907 5.925,908 6.054,909 6.218,910 6.483,911 6.703,912 7.031,913 1,914 45,915 10.659,917 4.889,918 8.049,919 19.25,921 15.722,924 2.549,925 71.361,928 1,929 200.109,930 133.422,931 51.582,932 39.149,933 69.458,935 6.046,936 127.376,937 308.715,938 51.582,939 17.65,940 18.91,941 81.856,942 119.505,943 27.618,944 0.693,945 188.338,946 39.149,947 200.109,948 178.958,949 69.458,950 45.195,952 200.109,953 69.458,956 49.058,957 96.329,958 78.766,960 200.109,961 121.04,962 172.571,964 6.046,965 200.109,966 24.868,967 102.508,968 18.011,969 142.178,970 200.109,971 121.04,972 172.571,973 0.593,974 0.343,975 0.174,976 0.093,977 20,978 10,979 0.104,980 5,982 1,983 3.822,984 239.326,986 18,987 118.606,992 1,993 20.158,994 8.196,995 4.649,997 121.04,998 15.418,999 7.773,1003 2.324,1005 18.011,1006 493.719,1007 42,1011 -3.836,1013 38.005,1017 -0.596,1020 46.756,1021 51.309,1022 0.327,1023 0.656,1024 0.75,1025 0.821,1026 0.86,1027 0.86,1028 5.001,1029 1.435,1030 5.866,1031 4.709,1032 4.466,1033 5.1,1034 3.205,1035 6.723,1036 4.343,1037 6.261,1038 1.39,1039 7.47,1040 3.512,1041 4.29,1042 5.19,1044 7.934,1045 4.032,1046 7.618,1047 1.039,1048 9.189,1049 3.025,1050 6.155,1051 7.421,1052 5.45,1053 10.968,1054 5.874,1055 9.017,1056 1,1057 10.976,1058 2.617,1059 6.77,1060 8.3,1062 12.993,1063 6.323,1064 10.45,1065 0.347,1066 12.809,1067 2.136,1068 8.183,1069 10.079,1070 7.808,1071 15.636,1072 7.699,1073 11.909,1074 -0.052,1075 14.673,1076 0.816,1077 9.131,1078 11.304,1080 17.96,1081 8.48,1082 13.387,1083 -0.18,1084 16.561,1085 -0.129,1086 10.39,1087 12.921,1088 10.177,1089 20.496,1090 9.673,1091 3.406,1092 -0.347,1093 18.465,1094 -0.45,1095 11.48,1096 14.304,1098 22.934,1099 10.605,1100 3.032,1101 12.542,1102 20.383,1103 -0.757,1104 12.689,1105 15.86,1106 12.548,1107 25.446,1108 11.721,1109 2.844,1110 9.975,1111 22.312,1112 4.718,1113 13.838,1114 17.319,1116 27.931,1117 12.723,1118 2.429,1119 9.37,1120 24.249,1121 4.015,1122 15.035,1123 18.856,1124 14.919,1125 30.443,1126 13.808,1127 1.989,1128 6.934,1129 26.194,1130 3.859,1131 16.213,1132 20.353,1134 32.948,1135 14.843,1136 1.879,1137 5.404,1138 28.144,1139 3.406,1140 17.41,1141 21.886,1142 17.29,1143 35.464,1144 15.916,1145 1.619,1146 5.104,1147 30.099,1148 2.674,1149 18.603,1150 23.405,1152 37.98,1153 16.967,1154 8984,1155 16217,1156 19.186,1157 32.977,1158 45.241,1159 48.499,1160 46.828,1161 45.086,1162 44.817,1163 61.798,1164 8.661,1165 132.287,1166 42.189,1167 5.719,1168 7.263,1169 7.116,1170 5.385,1171 5.406,1172 7.718,1173 6.545,1174 19.969,1175 4.974,1176 16.189,1177 1.508,1178 1.617,1179 1.561,1180 1.503,1181 1.494,1182 2.06,1183 0.289,1184 4.41,1185 1.406,1186 4.094,1187 4.082,1188 4.741,1189 4.075,1190 7.714,1191 3.986,1192 3.951,1193 3.976,1194 3.975,1195 3.889,1196 7.429,1197 3.881,1198 3.847,1199 3.875,1200 3.868,1201 3.775,1202 6.999,1203 3.761,1204 3.64,1205 3.616,1206 3.782,1207 3.564,1208 5.023,1209 3.518,1210 3.266,1211 3.35,1212 3.303,1213 3.125,1214 4.753,1215 3.101,1216 3.246,1217 3.291,1218 3.067,1219 3.009,1220 4.733,1221 3.039,1222 3.035,1223 3.126,1224 3.054,1225 2.847,1226 4.438,1227 2.838,1228 2.913,1229 2.954,1230 2.834,1231 2.798,1232 3.983,1233 2.778,1234 0.162,1235 0.175,1236 0.244,1237 0.142,1238 0.114,1239 4.865,1240 0.157,1241 5.263,1242 0.109,1243 7.314,1244 0.418,1245 4.26,1246 0.099,1247 3.406,1248 4.718,1249 3.272,1250 12.542,1251 2.974,1252 1.968,1253 1.97,1254 2.057,1255 2.058,1256 1.257,1257 2.081,1258 1.938,1259 1.912,1260 2.033,1261 2.02,1262 1.19,1263 2.038,1264 1.796,1265 1.782,1266 1.762,1267 1.918,1268 0.928,1269 1.92,1270 1.504,1271 1.526,1272 1.639,1273 1.625,1274 0.722,1275 1.659,1276 1.303,1277 1.226,1278 1.464,1279 1.507,1280 0.719,1281 1.557,1282 1.142,1283 1.088,1284 1.45,1285 1.398,1286 0.492,1287 1.382,1288 1.037,1289 0.961,1290 1.249,1291 1.302,1292 0.218,1293 1.339,1294 0.886,1295 0.849,1296 1.181,1297 1.062,1298 0.217,1299 1.107,1300 4.111,1302 5.451,1304 6.986,1306 8.605,1308 10.265,1310 3.722,1311 6.067,1315 -0.27,1317 2.755,1326 31.438,1327 83.077,1328 166.8,1329 190.574,1330 208.574,1331 218.574,1332 218.574,1333 69.78,1334 7.107,1335 89.02,1336 97.4,1337 18,1338 12.507,1339 4.459,1340 3.7,1341 49.573,1342 107,1343 108,1344 0.225,1345 202.999,1346 351.47,1347 487.076,1348 11295,1349 2.2,1350 20.311,1351 0.725,1352 0.603,1353 21.061,1354 16.881,1355 13.276,1356 0.443,1357 0.349,1358 8.532,1359 11.881,1360 8.054,1361 6.734,1362 14.385,1363 10.475,1364 12.61,1365 0.293,1366 0.2,1367 14.281,1368 8.605,1369 10.058,1370 0.186,1371 0.109,1372 11.508,1373 5.877,1374 7.981,1375 0.121,1376 0.062,1377 9.319,1378 4.084,1379 6.125,1380 0.077,1381 0.034,1382 7.371,1383 2.733,1384 0.35,1385 93.889,1386 0.228,1387 26.619,1388 0.625,1389 146,1390 479.893,1391 211.03,1392 517.818,1393 681.51,1394 474,1395 170,1396 443.102,1397 239.325,1398 495.638,1399 719.11,1400 461,1401 5.039}
{0 CHEMBL1548445,1 1.768,2 8.421,3 3.145,4 9.892,5 78.089,6 9.15,7 0.524,8 3.577,9 3.674,10 3.381,11 3.269,12 4.652,13 3.202,14 4.113,15 4.252,16 3.78,17 3.67,18 5.189,19 3.571,20 4.319,21 4.504,22 3.728,23 3.735,24 5.349,25 3.608,26 4.249,27 4.423,28 3.784,29 3.638,30 5.449,31 3.516,32 4.108,33 4.318,34 3.46,35 3.466,36 5.091,37 3.308,38 3.906,39 4.112,40 3.427,41 3.274,42 4.912,43 3.101,44 3.711,45 3.892,46 3.049,47 3.032,48 4.848,49 2.93,50 3.671,51 3.874,52 2.866,53 2.937,54 4.772,55 2.805,56 0.026,57 0.445,58 4.899,59 2.88,60 4.309,61 3.454,62 0.165,63 0.761,64 13.494,65 5.393,66 16.42,67 6.624,68 0.215,69 0.908,70 21.278,71 7.547,72 28.745,73 8.383,74 0.341,75 0.867,76 17.921,77 6.555,78 41.383,79 7.111,80 0.172,81 0.774,82 17.851,83 6.091,84 17.944,85 6.702,86 0.185,87 0.609,88 19.353,89 5.468,90 15.892,91 5.693,92 0.108,93 0.438,94 9.438,95 3.74,96 16.893,97 4.311,98 0.116,99 0.399,100 8.75,101 3.617,102 21.572,103 4.394,104 9,105 29,106 0.331,107 0.674,108 0.775,109 0.878,110 0.89,111 0.89,112 3.011,113 1.081,114 -4.53,115 -4.45,116 -4.19,120 43.8,122 3,126 1,143 4,144 2,147 1,153 1,159 1,163 1,174 8,177 3,180 2,182 2,185 11,189 3,197 9,200 1,201 6,206 3,209 6,214 1,219 3,222 3,227 3,232 2,235 4,240 3,245 1,247 3,252 2,260 4,264 1,271 4,274 382,275 13.093,276 13.093,277 13.093,278 13.093,279 13.093,280 11.656,281 13.216,282 7.905,283 13.502,284 10.374,285 10.374,286 10.374,287 10.374,288 10.374,289 8.084,290 15.017,291 3.708,292 11.073,293 3.232,294 1.399,295 0.86,296 0.313,297 0.25,298 0.25,299 3.693,300 1,305 1,306 1,307 1,308 345,309 2.915,312 30.01,313 74.887,316 53.945,317 63.258,320 1.346,321 16.35,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 40.333,333 160,334 4.538,335 3.598,336 6.726,337 4.148,338 3.19,339 4.238,340 1.907,341 10.988,342 3.075,343 3.993,344 3.283,345 5.825,346 3.559,347 2.628,348 3.563,349 0.149,350 8.14,351 2.445,352 3.651,353 2.687,354 5.312,355 3.306,356 2.32,357 2.872,359 6.707,360 2.258,361 3.16,362 2.159,363 4.788,364 2.76,365 1.817,366 2.352,368 5.139,369 1.73,370 3.023,371 2.091,372 4.7,373 2.725,374 1.771,375 2.16,377 5.03,378 1.633,379 2.874,380 1.957,381 3.829,382 2.413,383 1.427,384 2.03,386 3.118,387 1.401,388 2.38,389 1.48,390 3.592,391 1.911,392 1.023,393 1.327,395 2.418,396 0.896,397 2.116,398 0.965,399 3.17,400 1.802,401 0.904,402 1.065,404 1.652,405 0.71,406 1.808,407 0.755,408 3.085,409 1.422,410 0.523,411 0.657,413 1.311,414 0.46,415 1.06,416 0.558,417 2.448,418 0.697,419 -0.209,420 -0.235,422 -0.475,423 -0.164,424 0.802,425 0.262,426 2.367,427 0.428,428 -0.515,429 -0.608,431 -0.994,432 -0.419,433 0.674,434 -0.269,435 2.295,436 0.262,437 -0.649,438 -0.842,440 -1.448,441 -0.582,442 0.64,443 -0.621,444 2,445 0.211,446 -0.701,447 -0.889,449 -1.845,450 -0.668,451 0.281,452 -0.885,453 1.704,454 -0.106,455 -1.078,456 -1.466,458 -2.91,459 -1.043,460 0.016,461 -1.016,462 1.338,463 -0.437,464 -1.357,465 -1.768,467 -3.442,468 -1.212,469 9.681,470 0.51,471 0.397,472 0.021,473 24,474 1.263,475 12,476 0.632,477 12,478 0.632,479 15.086,480 0.794,481 19.719,482 0.616,483 13.462,484 0.709,485 4.298,486 0.226,487 4.977,488 0.262,489 0.108,491 0.31,496 0.625,497 1.057,498 0.599,499 0.769,500 0.516,501 0.79,502 0.568,503 1.071,504 0.84,505 0.995,506 0.59,507 0.961,508 1.082,509 1.039,510 1.026,511 1.016,512 1.116,513 0.948,514 0.785,515 1.141,516 0.892,517 1.12,518 0.906,519 1.06,520 0.981,521 1.085,522 1.096,523 1.1,524 0.732,525 1.023,526 0.848,527 1.077,528 1.073,529 1.22,530 0.715,531 1.052,532 1.367,533 1.026,534 0.841,535 0.942,536 1.669,537 1.035,538 1.34,539 0.92,540 0.74,541 0.824,542 1.72,543 1.067,544 3.5,545 0.021,546 1.778,547 1.444,548 0.832,549 0.518,550 0.239,551 0.228,552 0.085,553 0.066,554 3210,555 10344,556 2.113,557 40.6,558 2,559 6,562 1,563 4,567 1.602,568 2,569 3.059,570 -0.249,572 1,574 1,575 56.591,576 1.768,577 3.601,578 4.14,579 4.688,580 4.75,581 4.75,582 2.531,583 3.787,584 4.214,585 3.155,586 539.585,587 7.178,588 5189.69,589 1,590 1,591 1,592 1,593 160,594 1.324,595 4.189,596 0.167,597 0.007,598 0.061,599 0.052,600 0.033,601 0.027,602 0.016,603 0.018,604 0.008,605 0.009,606 0.398,607 0.67,608 1,609 1.46,610 81.878,611 -0.045,612 -0.007,613 0.028,614 0.061,615 -0.018,616 0.047,617 0.158,618 -0.055,619 -0.006,620 -0.079,621 0.031,622 -0.057,623 -0.154,624 -0.03,625 -0.105,626 -0.015,627 -0.141,628 0.007,629 0.212,630 -0.074,631 -0.008,632 -0.134,633 0.138,634 -0.146,635 -0.149,636 0.005,637 -0.116,638 -0.052,639 -0.06,640 -0.059,641 0.033,642 0.003,643 0.037,644 -0.081,645 0.03,646 -0.057,647 -0.145,648 -0.131,649 -0.05,650 -0.089,651 -0.108,652 -0.106,653 -0.142,654 -0.1,655 0.004,656 -0.013,657 -0.112,658 -0.106,659 1.741,660 4.542,661 0.684,662 13.922,663 1.007,664 1.111,665 3.296,666 10.863,667 0.736,668 3.091,669 3.401,670 3.689,671 4.007,672 4.22,673 4.331,674 4.489,675 4.595,676 4.575,677 4.443,678 4.878,679 0.685,680 292.81,681 3.091,682 4.615,683 5.468,684 6.354,685 7.232,686 8.13,687 9.02,688 9.923,689 10.819,690 11.725,691 6.3,698 1,701 1,709 4,710 1,713 1,714 5,716 11,738 32,739 12,740 1,741 21,743 34,744 14,745 9,746 2,747 4,750 1,752 3,753 6,754 1,759 1,763 2,766 3,768 10,769 4,772 1,778 1,782 1,785 1,786 1,789 13,790 3,791 1,792 5,793 2,797 2,803 0.333,804 1,822 1,823 2,826 1,827 1,838 1,855 1,857 1,860 1,862 19,869 4,871 1,879 1,885 1,886 3.1,889 1,893 9.5,894 5.76,895 4.25,896 1.984,898 2.295,899 1.338,900 1.01,901 3.736,902 9.093,903 3.35,904 3.927,905 4.496,906 5.115,907 5.567,908 5.88,909 6.309,910 6.645,911 6.893,912 7.022,913 0.833,914 28,915 7.023,917 2.992,918 7.734,919 13.562,921 11.34,924 2.234,925 42.444,926 0.001,929 141.253,930 95.328,931 34.796,932 39.149,933 25.145,935 31.278,936 64.05,937 205.547,938 34.796,940 28.464,941 37.905,942 46.635,943 9.629,944 1.358,945 211.68,947 141.253,948 98.846,949 25.145,950 70.426,952 141.253,953 25.145,956 31.721,957 50.339,958 55.934,959 31.278,960 141.253,961 59.941,962 134.476,965 141.253,966 57.423,967 37.905,968 18.011,969 81.079,970 141.253,971 59.941,972 134.476,973 0.568,974 0.331,975 0.192,976 0.1,977 15,978 6,979 0.059,980 2,981 2,982 1.308,983 3.182,984 141.224,985 0.308,986 13,987 80.711,989 1,993 12.918,994 5.494,995 2.615,997 59.941,998 8.319,999 4.558,1002 1.567,1003 5.474,1005 18.011,1006 335.671,1007 27.5,1013 11.542,1017 -0.075,1020 32.233,1021 35.561,1022 0.354,1023 0.72,1024 0.828,1025 0.938,1026 0.95,1027 0.95,1028 4.572,1029 0.904,1030 5.442,1031 2.418,1032 4.078,1033 4.61,1034 1.953,1035 6.26,1036 3.969,1037 5.766,1038 0.523,1039 6.995,1040 1.652,1041 3.611,1042 4.388,1043 1.593,1044 7.154,1045 3.481,1046 7.069,1047 -0.209,1048 8.65,1049 1.311,1050 5.659,1051 6.777,1052 2.904,1053 10.293,1054 5.473,1055 8.41,1056 -0.515,1057 10.368,1058 -0.475,1059 6.043,1060 7.409,1061 3.032,1062 12.064,1063 5.823,1064 9.786,1065 -0.649,1066 12.127,1067 -0.994,1068 7.547,1069 9.255,1070 4.037,1071 14.711,1072 7.288,1073 11.187,1074 -0.701,1075 13.916,1076 -1.448,1077 8.34,1078 10.296,1079 4.409,1080 16.847,1081 8.042,1082 12.609,1083 -1.078,1084 15.726,1085 -1.845,1086 9.622,1087 11.912,1088 5.25,1089 19.33,1090 9.292,1091 3.19,1092 -1.357,1093 17.554,1094 -2.91,1095 10.61,1096 13.153,1097 5.75,1098 21.617,1099 10.241,1100 2.628,1101 10.988,1102 19.396,1103 -3.442,1104 11.804,1105 14.667,1106 6.501,1107 24.043,1108 11.405,1109 2.32,1110 8.14,1111 21.249,1112 4.238,1113 12.882,1114 16.006,1115 7.068,1116 26.393,1117 12.445,1118 1.817,1119 6.707,1120 23.11,1121 3.563,1122 14.046,1123 17.477,1124 7.771,1125 28.799,1126 13.578,1127 1.771,1128 5.139,1129 24.979,1130 2.872,1131 15.165,1132 18.864,1133 8.374,1134 31.175,1135 14.661,1136 1.427,1137 5.03,1138 26.855,1139 2.352,1140 16.319,1141 20.316,1142 9.051,1143 33.574,1144 15.783,1145 1.023,1146 3.118,1147 28.735,1148 2.16,1149 17.457,1150 21.728,1151 9.674,1152 35.961,1153 16.886,1154 3179,1155 5790,1156 14.216,1157 23.54,1158 31.515,1159 32.59,1160 32.34,1161 31.291,1162 31.204,1163 40.527,1164 4.112,1165 89.003,1166 29.216,1167 5.423,1168 5.598,1169 6.498,1170 5.275,1171 5.19,1172 7.238,1173 3.306,1174 18.23,1175 5.075,1176 7.625,1177 1.501,1178 1.552,1179 1.54,1180 1.49,1181 1.486,1182 1.93,1183 0.196,1184 4.238,1185 1.391,1186 4.054,1187 4.075,1188 4.272,1189 4.027,1190 7.429,1191 3.998,1192 3.726,1193 3.759,1194 3.81,1195 3.665,1196 4.894,1197 3.618,1198 3.576,1199 3.609,1200 3.78,1201 3.458,1202 4.691,1203 3.445,1204 3.292,1205 3.362,1206 3.316,1207 3.162,1208 4.592,1209 3.136,1210 3.028,1211 3.077,1212 3.129,1213 2.821,1214 3.936,1215 2.823,1216 2.784,1217 2.835,1218 2.824,1219 2.692,1220 3.747,1221 2.657,1222 2.708,1223 2.77,1224 2.596,1225 2.577,1226 3.524,1227 2.564,1228 2.403,1229 2.506,1230 2.353,1231 2.185,1232 3.385,1233 2.167,1234 0.216,1235 0.171,1236 0.32,1237 0.198,1238 0.152,1239 4.538,1240 0.202,1241 3.598,1242 0.091,1243 6.726,1244 0.523,1245 4.148,1246 0.146,1247 3.19,1248 4.238,1249 1.907,1250 10.988,1251 3.075,1252 1.979,1253 1.957,1254 2.081,1255 2.046,1256 1.331,1257 2.061,1258 1.611,1259 1.572,1260 1.783,1261 1.821,1262 1.052,1263 1.819,1264 1.504,1265 1.47,1266 1.695,1267 1.615,1268 0.89,1269 1.656,1270 1.241,1271 1.198,1272 1.319,1273 1.45,1274 0.481,1275 1.452,1276 1.074,1277 1.036,1278 1.211,1279 1.207,1280 0.378,1281 1.23,1282 0.789,1283 0.756,1284 1.019,1285 1.001,1286 0.188,1287 1.025,1288 0.676,1289 0.606,1290 0.963,1291 0.861,1292 0.098,1293 0.914,1294 0.617,1295 0.566,1296 0.863,1297 0.811,1298 0.063,1299 0.862,1300 3.761,1302 5.069,1303 2.398,1304 6.581,1305 4.727,1306 8.195,1307 6.843,1308 9.867,1311 5.553,1315 2.692,1317 2.815,1326 21.933,1327 56.591,1328 115.245,1329 132.49,1330 150,1331 152,1332 152,1333 26.12,1334 6.798,1335 41.99,1336 70.23,1337 17,1338 12.245,1339 3.7,1340 2.907,1341 27.849,1342 56,1343 63,1344 0.259,1345 142.367,1346 240.55,1347 339.136,1348 7094,1349 3.1,1350 13.242,1351 0.697,1352 0.624,1353 14.096,1354 11.852,1355 9.275,1356 0.442,1357 0.36,1358 6.283,1359 8.292,1360 6.031,1361 4.923,1362 10.037,1363 7.566,1364 8.177,1365 0.282,1366 0.203,1367 9.095,1368 5.897,1369 6.79,1370 0.174,1371 0.112,1372 7.673,1373 4.379,1374 6.092,1375 0.113,1376 0.064,1377 7.227,1378 3.433,1379 4.693,1380 0.07,1381 0.036,1382 5.552,1383 2.424,1384 0.396,1385 65.017,1386 0.265,1387 18.877,1388 0.739,1389 100,1390 288.777,1391 144.729,1392 329.773,1393 440.15,1394 310,1395 118,1396 280.881,1397 151.671,1398 305.243,1399 451.18,1400 289,1401 4.653}
{0 CHEMBL1549401,1 1.823,2 11.5,3 0.573,4 0.329,5 88.743,6 8.917,7 0.333,8 3.943,9 4.03,10 3.638,11 3.345,12 5.276,13 3.397,14 4.473,15 4.591,16 4,17 3.745,18 5.935,19 3.788,20 4.776,21 4.963,22 4.013,23 3.81,24 6.09,25 3.821,26 4.789,27 4.981,28 4.015,29 3.776,30 6.182,31 3.81,32 4.699,33 4.88,34 3.889,35 3.722,36 6.135,37 3.75,38 4.639,39 4.799,40 3.847,41 3.72,42 5.919,43 3.718,44 4.654,45 4.813,46 3.942,47 3.736,48 6.233,49 3.748,50 4.618,51 4.813,52 3.733,53 3.64,54 5.838,55 3.635,56 0.402,57 0.654,58 6.404,59 3.617,60 29.924,61 4.109,62 0.776,63 0.992,64 13.193,65 6.213,66 113.63,67 7.258,68 1.432,69 1.144,70 25.321,71 7.353,72 154.393,73 9.905,74 1.385,75 1.119,76 26.03,77 7.011,78 175.015,79 9.428,80 1.317,81 1,82 24.02,83 7.017,84 188.083,85 8.366,86 1.25,87 0.973,88 21.158,89 7.057,90 144.172,91 8.445,92 1.33,93 1.009,94 20.963,95 7.069,96 187.065,97 8.954,98 1.087,99 0.948,100 21.633,101 6.625,102 135.282,103 8.408,104 41,105 42,106 0.31,107 0.564,108 0.665,109 0.712,110 0.712,111 0.712,112 3.374,113 0.844,114 -3.78,115 -3.75,116 -3.56,120 36.4,122 4,128 2,143 4,153 2,154 2,156 2,167 6,174 5,176 4,177 8,185 2,188 7,189 14,197 1,200 4,201 14,213 3,214 6,222 2,226 8,227 6,235 6,239 6,240 8,247 6,251 2,252 10,260 2,263 7,264 12,271 1,274 1344,275 18.361,276 18.361,277 18.361,278 18.361,279 18.361,280 15.862,281 20.515,282 10.716,283 18.635,284 14.774,285 14.774,286 14.774,287 14.774,288 14.774,289 11.022,290 21.273,291 5.057,292 15.177,293 3.636,294 2.142,295 1.545,296 1.273,297 1.273,298 1.273,299 4.048,306 1,307 1,308 674,309 4.123,312 163.735,313 104.204,320 1.929,321 57.288,324 0.75,325 0.83,326 0.83,327 0.5,329 0.67,330 1,331 0.65,332 66,333 322,334 4.422,335 3.784,336 6.634,337 4.055,338 3.095,339 4.091,340 2.612,341 10.553,342 2.971,343 4.332,344 3.782,345 6.01,346 3.844,347 2.866,348 4.058,349 2.612,350 8.621,351 2.802,352 4.253,353 3.702,354 5.998,355 3.805,356 2.828,357 3.822,358 1.926,359 8.559,360 2.762,361 4.021,362 3.431,363 5.636,364 3.393,365 2.44,366 3.618,367 1.926,368 7.343,369 2.324,370 3.666,371 2.571,372 5.249,373 3.198,374 2.216,375 3.062,377 6.494,378 2.171,379 3.544,380 2.511,381 5.082,382 2.969,383 1.998,384 2.953,386 5.826,387 1.935,388 3.069,389 2.23,390 4.286,391 2.636,392 1.652,393 2.117,395 3.894,396 1.624,397 2.706,398 1.64,399 3.793,400 2.197,401 1.205,402 1.702,404 2.853,405 1.194,406 2.669,407 1.63,408 3.661,409 2.16,410 1.165,411 1.645,413 2.812,414 1.159,415 2.268,416 1.346,417 3.54,418 1.943,419 0.949,420 1.191,422 2.315,423 0.942,424 2.188,425 1.259,426 3.514,427 1.905,428 0.917,429 1.1,431 2.283,432 0.905,433 2.171,434 1,435 3.253,436 1.658,437 0.659,438 0.994,440 1.605,441 0.658,442 2.145,443 1,444 3.253,445 1.657,446 0.658,447 0.994,449 1.603,450 0.657,451 1.287,452 0.752,453 2.692,454 0.678,455 -0.29,456 -0.356,458 -0.81,459 -0.28,460 1.275,461 0.752,462 2.522,463 0.579,464 -0.405,465 -0.553,467 -1.067,468 -0.397,469 12.267,470 0.438,471 0.826,472 0.029,473 39,474 1.393,475 20,476 0.714,477 19,478 0.679,479 20.216,480 0.722,481 32.133,482 0.73,483 31.391,484 1.121,485 7.532,486 0.269,487 5.814,488 0.208,489 0.163,491 0.375,496 0.422,497 1.278,498 0.577,499 1.139,500 0.479,501 0.989,502 0.619,503 1.366,504 0.74,505 1.341,506 0.419,507 1.145,508 0.744,509 1.044,510 0.913,511 0.993,512 0.628,513 1.014,514 0.917,515 1.079,516 0.939,517 1.012,518 0.99,519 0.973,520 1.133,521 0.786,522 1.064,523 0.889,524 1.115,525 0.925,526 0.964,527 0.901,528 1.112,529 0.998,530 0.973,531 1.124,532 0.697,533 1.132,534 0.915,535 1.139,536 0.388,537 1.13,538 0.993,539 1.019,540 1.092,541 1.12,542 0.875,543 1.139,544 6.5,545 0.129,546 3.333,547 2.319,548 1.682,549 0.854,550 0.562,551 0.399,552 0.397,553 0.249,554 9550,555 40820,556 1.993,557 36.4,558 4,559 6,561 2,564 4,567 1.711,568 1.826,569 3.493,570 -0.565,572 1,575 80.215,576 1.823,577 3.318,578 3.914,579 4.187,580 4.187,581 4.187,582 2.896,583 3.664,584 4.776,585 3.67,586 1387.15,587 8.311,588 18617,590 1,593 240.215,594 1.531,595 4.714,596 0.217,597 0.006,598 0.079,599 0.058,600 0.042,601 0.024,602 0.017,603 0.011,604 0.013,605 0.01,606 0.476,607 0.33,608 0.88,609 0.92,610 141.501,611 0.234,612 0.038,613 0.081,614 0.005,615 0.046,616 -0.045,617 0.113,618 -0.198,619 0.038,620 -0.22,621 0.201,622 -0.143,623 0.104,624 -0.061,625 0.079,626 -0.011,627 0.074,628 0.018,629 -0.039,630 -0.112,631 0.072,632 -0.057,633 -0.057,634 0.043,635 -0.189,636 0.161,637 -0.055,638 0.094,639 -0.112,640 0.092,641 -0.035,642 0.074,643 -0.149,644 0.03,645 -0.155,646 -0.105,647 0.189,648 -0.148,649 0.039,650 -0.097,651 0.314,652 -0.093,653 -0.151,654 -0.055,655 -0.095,656 -0.124,657 -0.113,658 -0.09,659 2.715,660 5.546,661 0.571,662 27.286,663 1.053,664 1.14,665 2.553,666 6.516,667 0.642,668 3.434,669 3.761,670 3.989,671 4.205,672 4.29,673 4.317,674 4.369,675 4.419,676 4.533,677 4.554,678 6.852,679 0.658,680 392.36,681 3.434,682 4.977,683 5.814,684 6.686,685 7.542,686 8.413,687 9.275,688 10.147,689 11.012,690 11.883,691 9.1,702 2,705 2,709 4,712 2,714 4,716 10,731 2,738 44,739 18,741 30,743 46,744 16,745 8,748 2,752 3,753 3,763 6,766 6,768 10,769 6,772 8,775 4,778 6,780 2,786 1,788 2,789 16,790 8,792 12,797 4,803 1,804 8,822 2,823 1,855 3,862 28,869 4,874 2,886 18.2,889 2,891 2,892 4,893 15.333,894 7.8,895 6.139,896 2.65,898 3.098,899 1.432,900 0.917,901 6.114,902 10.267,903 3.784,904 4.401,905 4.85,906 5.371,907 5.664,908 6.047,909 6.314,910 6.435,911 6.616,912 6.927,913 0.875,914 40,915 10.415,917 4.659,918 8.512,919 18.504,921 15.03,924 3.012,925 84.333,929 188.338,930 87.076,931 17.684,933 171.255,936 87.076,937 359.593,938 17.684,939 11.34,940 16.482,941 37.905,942 92.384,943 29.055,944 10.898,945 164.795,946 101.494,947 188.338,948 104.76,949 171.255,952 147.597,953 116.846,954 101.494,956 20.178,957 48.803,958 29.435,960 188.338,961 188.939,962 87.076,965 188.338,966 31.076,967 73.684,969 171.255,970 188.338,971 188.939,972 87.076,973 0.588,974 0.339,975 0.174,976 0.087,977 19,978 10,979 0.13,980 6,982 1,983 3.912,984 233.417,986 16,987 102.606,993 20.044,994 8.541,995 4.784,997 171.255,998 4.86,1001 9.897,1003 -0.959,1006 464.353,1007 43,1010 -0.301,1013 67.747,1015 2.142,1020 46.327,1021 50.16,1022 0.334,1023 0.608,1024 0.717,1025 0.767,1026 0.767,1027 0.767,1028 5.021,1029 1.205,1030 5.814,1031 3.894,1032 4.443,1033 5.088,1034 3.562,1035 6.613,1036 4.39,1037 6.251,1038 1.165,1039 7.376,1040 2.853,1041 4.111,1042 5.094,1043 3.362,1044 7.503,1045 4.01,1046 7.579,1047 0.949,1048 9.035,1049 2.812,1050 6.033,1051 7.322,1052 5.084,1053 10.566,1054 5.916,1055 8.942,1056 0.917,1057 10.749,1058 2.315,1059 6.494,1060 8.114,1061 5.406,1062 12.262,1063 6.328,1064 10.332,1065 0.659,1066 12.498,1067 2.283,1068 7.906,1069 9.822,1070 6.781,1071 14.84,1072 7.721,1073 11.739,1074 0.658,1075 14.27,1076 1.605,1077 8.708,1078 10.937,1079 7.367,1080 16.877,1081 8.478,1082 13.159,1083 -0.29,1084 16.06,1085 1.603,1086 9.925,1087 12.454,1088 8.567,1089 19.291,1090 9.672,1091 3.095,1092 -0.405,1093 17.862,1094 -0.81,1095 10.883,1096 13.712,1097 9.306,1098 21.485,1099 10.588,1100 2.866,1101 10.553,1102 19.675,1103 -1.067,1104 12.024,1105 15.152,1106 10.408,1107 23.844,1108 11.7,1109 2.828,1110 8.621,1111 21.496,1112 4.091,1113 13.055,1114 16.477,1115 11.237,1116 26.114,1117 12.69,1118 2.44,1119 8.559,1120 23.324,1121 4.058,1122 14.166,1123 17.886,1124 12.281,1125 28.458,1126 13.77,1127 2.216,1128 7.343,1129 25.159,1130 3.822,1131 15.232,1132 19.243,1133 13.164,1134 30.765,1135 14.796,1136 1.998,1137 6.494,1138 26.998,1139 3.618,1140 16.335,1141 20.64,1142 14.174,1143 33.107,1144 15.864,1145 1.652,1146 5.826,1147 28.843,1148 3.062,1149 17.419,1150 22.014,1151 15.089,1152 35.435,1153 16.909,1154 9431,1155 19713,1156 19.304,1157 28.227,1158 45.643,1159 47.382,1160 47.017,1161 45.36,1162 45.291,1163 62.695,1164 18.152,1165 129.518,1166 44.209,1167 5.422,1168 5.784,1169 6.313,1170 5.102,1171 5.095,1172 6.902,1173 4.612,1174 17.652,1175 4.971,1176 17.071,1177 1.521,1178 1.579,1179 1.567,1180 1.512,1181 1.51,1182 2.09,1183 0.605,1184 4.317,1185 1.474,1186 4.108,1187 4.142,1188 4.066,1189 3.898,1190 7.819,1191 3.927,1192 4.001,1193 4.012,1194 3.979,1195 3.775,1196 7.812,1197 3.816,1198 3.906,1199 3.932,1200 3.857,1201 3.702,1202 7.474,1203 3.723,1204 3.648,1205 3.688,1206 3.625,1207 3.262,1208 7.464,1209 3.336,1210 3.551,1211 3.604,1212 3.459,1213 3.26,1214 6.999,1215 3.298,1216 3.333,1217 3.359,1218 3.283,1219 2.908,1220 6.999,1221 2.997,1222 3.323,1223 3.346,1224 3.263,1225 2.893,1226 5.016,1227 2.983,1228 3.007,1229 3.097,1230 2.776,1231 2.75,1232 5.002,1233 2.777,1234 0.147,1235 0.126,1236 0.221,1237 0.135,1238 0.103,1239 4.422,1240 0.136,1241 3.784,1242 0.087,1243 6.634,1244 0.352,1245 4.055,1246 0.099,1247 3.095,1248 4.091,1249 2.612,1250 10.553,1251 2.971,1252 1.952,1253 1.903,1254 2.117,1255 2.174,1256 1.498,1257 2.147,1258 1.632,1259 1.596,1260 1.745,1261 1.967,1262 0.909,1263 1.853,1264 1.584,1265 1.544,1266 1.744,1267 1.955,1268 0.87,1269 1.827,1270 1.536,1271 1.518,1272 1.62,1273 1.897,1274 0.74,1275 1.82,1276 1.525,1277 1.502,1278 1.609,1279 1.773,1280 0.707,1281 1.773,1282 1.205,1283 1.162,1284 1.453,1285 1.452,1286 0.494,1287 1.446,1288 1.185,1289 1.13,1290 1.371,1291 1.438,1292 0.414,1293 1.44,1294 0.961,1295 0.893,1296 1.153,1297 1.27,1298 0.016,1299 1.28,1300 4.111,1302 5.434,1303 3.045,1304 6.923,1305 5.283,1306 8.487,1307 7.273,1308 10.095,1315 2.37,1320 -1.423,1326 28.965,1327 80.215,1328 145.976,1329 172.215,1330 184.215,1331 184.215,1332 184.215,1333 89.338,1334 7.169,1335 175.42,1336 175.42,1337 16,1338 12.427,1339 4.248,1340 3.807,1341 49.674,1342 112,1343 110,1344 0.212,1345 177.796,1346 319.68,1347 425.581,1348 12820,1350 20.259,1351 0.724,1352 0.518,1353 20.259,1354 14.502,1355 13.346,1356 0.445,1357 0.281,1358 8.227,1359 12.284,1360 8.199,1361 6.739,1362 13.346,1363 8.44,1364 12.404,1365 0.295,1366 0.149,1367 12.404,1368 6.263,1369 9.796,1370 0.185,1371 0.084,1372 9.796,1373 4.442,1374 7.869,1375 0.119,1376 0.048,1377 7.869,1378 3.147,1379 5.645,1380 0.078,1381 0.028,1382 5.645,1383 2.052,1384 0.334,1385 87.982,1386 0.228,1387 26.876,1388 0.576,1389 144,1390 648.465,1391 173.36,1392 594.314,1393 763.58,1394 540,1395 167,1396 562.457,1397 197.836,1398 535.295,1399 765.74,1400 499,1401 5.073}
{0 CHEMBL1549419,1 1.616,2 7.792,3 4.089,4 16.717,5 93.607,6 8.801,7 0.692,8 3.73,9 3.803,10 3.614,11 3.466,12 4.923,13 3.402,14 4.212,15 4.315,16 3.852,17 3.804,18 5.601,19 3.748,20 4.466,21 4.621,22 3.938,23 3.925,24 5.765,25 3.854,26 4.436,27 4.593,28 3.994,29 3.924,30 5.752,31 3.857,32 4.478,33 4.625,34 4.045,35 3.962,36 5.974,37 3.893,38 4.508,39 4.653,40 3.984,41 3.961,42 5.895,43 3.87,44 4.534,45 4.691,46 3.784,47 3.852,48 5.944,49 3.756,50 4.443,51 4.678,52 3.204,53 3.557,54 5.686,55 3.407,56 0.055,57 0.476,58 7.49,59 3.667,60 14.791,61 3.805,62 0.162,63 0.777,64 13.525,65 6.012,66 40.879,67 6.579,68 0.291,69 1.01,70 16.171,71 7.31,72 60.6,73 8.22,74 0.148,75 1.035,76 15.636,77 6.987,78 39.575,79 8.078,80 0.2,81 1.052,82 16.847,83 7.593,84 71.618,85 8.564,86 0.191,87 1.111,88 20.544,89 8.356,90 50.577,91 8.344,92 0.28,93 1.08,94 21.776,95 8.726,96 64.71,97 8.608,98 0.306,99 0.988,100 21.554,101 8.265,102 72.333,103 9.491,104 21,105 37,106 0.282,107 0.514,108 0.602,109 0.713,110 0.775,111 0.802,112 3.23,113 1.057,114 -4.09,115 -4.04,116 -3.82,120 50,125 1,143 11,144 4,147 1,148 1,159 1,174 15,176 1,177 4,185 18,188 2,189 6,197 15,200 1,201 7,209 11,213 2,214 11,222 11,227 13,235 11,240 12,247 11,252 6,260 8,264 1,271 4,274 742,275 16.032,276 16.032,277 16.032,278 16.032,279 16.032,280 13.539,281 5.456,282 9.502,283 16.325,284 12.809,285 12.809,286 12.809,287 12.809,288 12.809,289 8.981,290 4.085,291 4.445,292 13.335,293 3.632,294 2.306,295 1.798,296 1.165,297 0.809,298 0.651,299 3.907,305 1,306 1,307 1,308 394,309 3.162,313 230.233,320 1.01,321 30.248,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 51,333 187,334 4.884,335 5.195,336 7.304,337 4.33,338 3.432,339 4.754,340 2.95,341 12.557,342 3.152,343 4.375,344 4.064,345 6.484,346 3.899,347 2.948,348 4.057,349 2.035,350 10.023,351 2.714,352 4.096,353 3.088,354 6.098,355 3.716,356 2.725,357 3.661,359 8.896,360 2.688,361 3.751,362 2.721,363 5.404,364 3.183,365 2.2,366 3.21,368 6.644,369 2.15,370 3.387,371 2.564,372 4.524,373 2.8,374 1.815,375 2.654,377 4.621,378 1.787,379 3.133,380 1.976,381 4.461,382 2.575,383 1.591,384 2.298,386 4.132,387 1.562,388 2.977,389 1.816,390 3.711,391 2.174,392 1.199,393 1.797,395 2.839,396 1.167,397 2.6,398 1.438,399 3.512,400 2.061,401 1.084,402 1.618,404 2.68,405 1.054,406 2.557,407 1.162,408 3.283,409 2,410 1,411 1.5,413 2.136,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 2.5,425 1,426 3.247,427 1.566,428 0.617,429 1.105,431 1.177,432 0.582,433 1.276,434 0.829,435 2.792,436 0.633,437 -0.321,438 -0.519,440 -0.627,441 -0.304,442 1,443 0.258,444 2.465,445 0.459,446 -0.52,447 -0.707,449 -1.348,450 -0.499,451 0.902,452 -0.197,453 2.441,454 0.2,455 -0.75,456 -1.018,458 -1.814,459 -0.7,460 0.699,461 -0.593,462 2.178,463 0.033,464 -0.957,465 -1.259,467 -2.347,468 -0.79,469 11.8,470 0.492,471 0.669,472 0.028,473 38.25,474 1.594,475 24,476 1,477 14.25,478 0.594,479 14.771,480 0.615,481 23.6,482 0.621,483 28.58,484 1.191,485 7.368,486 0.307,487 4.135,488 0.172,489 0.133,490 0.071,491 0.254,496 0.382,497 0.997,498 0.802,499 1.068,500 0.596,501 0.829,502 0.603,503 1.096,504 1.038,505 1.142,506 0.537,507 0.941,508 1.047,509 0.921,510 0.811,511 0.778,512 1.006,513 0.878,514 0.805,515 0.997,516 0.776,517 0.891,518 0.752,519 0.88,520 0.801,521 1.055,522 0.869,523 0.964,524 0.796,525 0.916,526 1.249,527 1.114,528 1.361,529 1.22,530 1.255,531 1.09,532 1.67,533 1.147,534 1.401,535 1.249,536 1.586,537 1.217,538 1.403,539 0.976,540 1.13,541 1.028,542 1.425,543 1.183,544 5,546 2.889,547 1.75,548 1.644,549 1.556,550 0.713,551 0.307,552 0.187,553 0.038,554 5260,555 16499,556 2.03,557 36.8,559 14,567 1.681,568 1.882,569 2.925,570 -0.782,572 1,575 61.408,576 1.616,577 2.942,578 3.45,579 4.083,580 4.439,581 4.596,582 2.336,583 3.772,584 4.557,585 3.056,586 843.409,587 7.926,588 9693.86,590 1,591 1,592 1,593 199.421,594 1.601,595 4.498,596 0.192,598 0.078,599 0.045,600 0.041,601 0.037,602 0.019,603 0.01,604 0.011,605 0.008,606 0.441,607 0.5,608 1,609 0.921,610 110.501,611 0.143,612 -0.036,613 0.207,614 -0.038,615 -0.104,616 0.033,617 0.203,618 -0.148,619 -0.079,620 -0.156,621 0.191,622 -0.054,623 -0.002,624 0.049,625 0.02,626 0.109,627 -0.074,628 0.031,629 0.018,630 0.018,631 0.106,632 0.019,633 0.019,634 0.03,635 0.128,636 -0.049,637 0.07,638 -0.017,639 0.209,640 -0.007,641 -0.181,642 -0.07,643 -0.228,644 -0.163,645 -0.101,646 -0.171,647 -0.279,648 -0.177,649 -0.338,650 -0.231,651 -0.192,652 -0.275,653 -0.203,654 -0.047,655 -0.179,656 -0.073,657 -0.19,658 -0.121,659 4.557,660 5.166,661 0.75,662 17.25,663 1.006,664 1.101,665 2.862,666 8.191,667 0.74,668 3.296,669 3.638,670 3.892,671 4.174,672 4.454,673 4.5,674 4.654,675 4.682,676 4.663,677 4.533,678 4.925,679 0.706,680 334.42,681 3.296,682 4.844,683 5.694,684 6.592,685 7.47,686 8.375,687 9.266,688 10.175,689 11.072,690 11.982,691 5.3,700 1,701 1,709 11,710 1,714 6,716 18,718 1,738 38,739 21,740 2,741 26,743 40,744 19,745 17,746 2,747 10,752 3,753 3,767 1,768 17,769 1,772 2,776 1,778 2,786 1,789 14,790 4,792 5,793 1,797 2,803 1,804 2,816 1,823 3,855 3,857 1,859 1,862 24,865 1,877 1,882 1,884 1,886 5.3,889 2,893 12.75,894 7.317,895 5.278,896 2.115,898 3.162,899 1.461,900 1.005,901 4.166,902 10.02,903 3.689,904 4.324,905 4.896,906 5.523,907 6.159,908 6.446,909 6.97,910 7.331,911 7.716,912 7.932,913 1,914 39,915 9.069,917 4.13,918 8.017,919 16.551,921 13.666,924 2.517,925 60.417,929 164.795,930 150.698,931 47.845,933 44.313,935 6.046,936 144.652,937 209.108,938 47.845,939 7.19,941 110.285,942 77.7,943 46.558,944 1.122,945 164.795,947 164.795,948 192.497,949 44.313,950 6.046,952 164.795,953 44.313,956 33.816,957 141.895,958 22.831,960 164.795,961 92.158,962 150.698,964 6.046,965 164.795,966 16.621,967 111.429,968 16.602,969 92.158,970 164.795,971 92.158,972 150.698,973 0.581,974 0.335,975 0.189,976 0.114,977 18,978 8,979 0.075,980 3,982 1,983 3.411,984 202.266,986 18,987 100.039,992 1,993 15.929,994 6.277,995 3.228,997 92.158,998 20.318,999 4.261,1003 2.539,1006 407.651,1007 39,1011 -3.64,1013 24.332,1020 38.236,1021 41.827,1022 0.308,1023 0.561,1024 0.657,1025 0.778,1026 0.846,1027 0.876,1028 4.924,1029 1.084,1030 5.72,1031 2.839,1032 4.317,1033 5.011,1034 3.284,1035 6.6,1036 4.235,1037 6.19,1038 1,1039 7.327,1040 2.68,1041 4.111,1042 5.037,1044 7.847,1045 3.881,1046 7.547,1047 1,1048 9.055,1049 2.136,1050 6.019,1051 7.359,1052 5.23,1053 10.905,1054 5.811,1055 8.947,1056 0.617,1057 10.855,1058 2.136,1059 6.635,1060 8.217,1062 12.942,1063 6.259,1064 10.384,1065 -0.321,1066 12.702,1067 1.177,1068 8.073,1069 10.044,1070 7.287,1071 15.607,1072 7.699,1073 11.847,1074 -0.52,1075 14.578,1076 -0.627,1077 9.031,1078 11.269,1080 17.929,1081 8.504,1082 13.331,1083 -0.75,1084 16.476,1085 -1.348,1086 10.307,1087 12.911,1088 9.398,1089 20.483,1090 9.747,1091 3.432,1092 -0.957,1093 18.389,1094 -1.814,1095 11.409,1096 14.305,1098 22.92,1099 10.719,1100 2.948,1101 12.557,1102 20.314,1103 -2.347,1104 12.633,1105 15.879,1106 11.535,1107 25.444,1108 11.883,1109 2.725,1110 10.023,1111 22.248,1112 4.754,1113 13.798,1114 17.352,1116 27.928,1117 12.935,1118 2.2,1119 8.896,1120 24.189,1121 4.057,1122 15.009,1123 18.902,1124 13.686,1125 30.448,1126 14.071,1127 1.815,1128 6.644,1129 26.137,1130 3.661,1131 16.202,1132 20.414,1134 32.954,1135 15.162,1136 1.591,1137 4.621,1138 28.09,1139 3.21,1140 17.414,1141 21.959,1142 15.844,1143 35.475,1144 16.29,1145 1.199,1146 4.132,1147 30.047,1148 2.654,1149 18.621,1150 23.49,1152 37.993,1153 17.401,1154 5232,1155 9414,1156 16.989,1157 28.137,1158 40.519,1159 43.878,1160 39.936,1161 39.369,1162 39.221,1163 56.307,1164 9.969,1165 115.678,1166 37.716,1167 5.55,1168 7.195,1169 7.106,1170 5.387,1171 5.432,1172 7.754,1173 5.9,1174 20.399,1175 5.152,1176 11.731,1177 1.558,1178 1.688,1179 1.536,1180 1.514,1181 1.509,1182 2.166,1183 0.383,1184 4.449,1185 1.451,1186 4.117,1187 4.111,1188 4.736,1189 4.102,1190 7.716,1191 4.043,1192 3.88,1193 3.894,1194 3.949,1195 3.859,1196 6.999,1197 3.806,1198 3.864,1199 3.864,1200 3.796,1201 3.814,1202 6.82,1203 3.782,1204 3.561,1205 3.574,1206 3.563,1207 3.486,1208 4.889,1209 3.453,1210 3.164,1211 3.213,1212 3.138,1213 3.024,1214 4.734,1215 3.043,1216 2.888,1217 2.941,1218 2.804,1219 2.78,1220 4.558,1221 2.78,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.809,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.691,1233 2.715,1234 0.188,1235 0.2,1236 0.281,1237 0.167,1238 0.132,1239 4.884,1240 0.183,1241 5.195,1242 0.113,1243 7.304,1244 0.483,1245 4.33,1246 0.121,1247 3.432,1248 4.754,1249 2.95,1250 12.557,1251 3.152,1252 2.031,1253 2.026,1254 2.083,1255 2.094,1256 1.236,1257 2.11,1258 1.878,1259 1.851,1260 2.001,1261 1.952,1262 1.068,1263 1.97,1264 1.79,1265 1.805,1266 1.771,1267 1.869,1268 1.026,1269 1.924,1270 1.492,1271 1.486,1272 1.572,1273 1.617,1274 0.734,1275 1.65,1276 1.098,1277 1.059,1278 1.195,1279 1.264,1280 0.27,1281 1.238,1282 0.886,1283 0.835,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.884,1295 0.821,1296 1.078,1297 1.043,1298 0.167,1299 1.072,1300 3.97,1302 5.303,1304 6.847,1306 8.483,1308 10.171,1310 1.069,1324 9.531,1325 2.006,1326 26.82,1327 61.408,1328 111.804,1329 131.103,1330 155.157,1331 168.666,1332 174.666,1333 49.67,1334 6.859,1335 70.82,1336 79.2,1337 18,1338 12.5,1339 4.459,1340 3.807,1341 38.713,1342 71,1343 70,1344 0.278,1345 171.355,1346 296.53,1347 409.867,1348 6978,1350 17.156,1351 0.715,1352 0.574,1353 17.406,1354 13.787,1355 11.503,1356 0.442,1357 0.352,1358 7.382,1359 10.543,1360 6.982,1361 5.835,1362 12.398,1363 9.157,1364 10.736,1365 0.29,1366 0.197,1367 12.105,1368 7.282,1369 8.354,1370 0.174,1371 0.096,1372 9.076,1373 4.601,1374 7.098,1375 0.111,1376 0.051,1377 7.792,1378 3.291,1379 6.139,1380 0.072,1381 0.028,1382 6.859,1383 2.369,1384 0.412,1385 79.725,1386 0.243,1387 22.66,1388 0.844,1389 126,1390 383.622,1391 166.264,1392 404.429,1393 543.08,1394 370,1395 148,1396 369.95,1397 194.943,1398 414.415,1399 595.19,1400 386,1401 4.778}
{0 CHEMBL1549566,1 1.642,2 8.158,3 4.472,4 20,5 81.124,6 13.312,7 0.55,8 3.477,9 3.534,10 3.541,11 3.173,12 4.735,13 3.135,14 3.913,15 3.999,16 4.019,17 3.529,18 5.186,19 3.475,20 4.118,21 4.214,22 4.162,23 3.589,24 5.511,25 3.502,26 4.058,27 4.193,28 4.531,29 3.529,30 5.357,31 3.383,32 3.888,33 4.05,34 3.742,35 3.254,36 5.161,37 3.142,38 3.759,39 3.883,40 3.524,41 3.125,42 5.234,43 3.038,44 3.634,45 3.743,46 3.876,47 3.042,48 5.126,49 3.003,50 3.558,51 3.683,52 3.791,53 2.98,54 4.817,55 2.907,56 0.092,57 0.293,58 2.692,59 2.298,60 8.778,61 2.419,62 0.142,63 0.463,64 7.71,65 4.062,66 12.304,67 4.406,68 0.448,69 0.552,70 26.625,71 6.268,72 32.448,73 5.263,74 0.333,75 0.546,76 48.039,77 6.459,78 37.957,79 5.676,80 0.296,81 0.466,82 30.453,83 5.649,84 30.013,85 5.431,86 0.334,87 0.395,88 24.95,89 4.624,90 53.282,91 4.091,92 0.329,93 0.345,94 10.739,95 3.755,96 28.063,97 3.28,98 0.25,99 0.323,100 9.944,101 3.587,102 20.793,103 3.116,104 26,105 28,106 0.314,107 0.703,108 0.819,109 0.898,110 0.898,111 0.898,112 3.009,113 1.054,114 -4.26,115 -4.2,116 -3.96,118 2,120 48.3,121 1,136 2,143 4,144 1,145 3,153 2,158 1,174 4,177 4,182 1,185 7,188 1,189 3,194 4,197 6,201 3,206 1,209 7,214 3,219 1,222 6,227 1,230 1,235 3,240 3,243 1,245 1,247 2,252 3,257 1,260 4,269 1,271 3,274 401,275 12.223,276 12.223,277 12.223,278 12.223,279 12.223,280 10.498,281 7.914,282 7.059,283 12.52,284 9.812,285 9.812,286 9.812,287 9.812,288 9.812,289 7.194,290 4.481,291 3.343,292 10.42,293 3.216,294 1.182,295 0.578,296 0.164,297 0.164,298 0.164,299 3.656,306 1,307 1,308 319,309 2.828,312 56.876,313 67.864,320 1.219,321 22.942,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.5,333 155,334 4.392,335 3.497,336 6.371,337 3.951,338 3.006,339 4.091,341 9.574,342 2.922,343 4.239,344 3.307,345 6.066,346 3.861,347 2.855,348 3.85,350 8.748,351 2.769,352 3.624,353 2.692,354 5.077,355 3.219,356 2.212,357 2.958,359 5.979,360 2.226,361 3.444,362 2.619,363 4.975,364 2.951,365 2.089,366 2.758,368 5.77,369 1.733,370 3.322,371 2.313,372 4.97,373 2.857,374 1.958,375 2.578,377 5.638,378 1.601,379 2.753,380 1.669,381 4.007,382 2.274,383 1.271,384 1.777,386 3.317,387 1.259,388 2.309,389 1.351,390 3.317,391 1.734,392 0.755,393 1.095,395 1.772,396 0.726,397 2.137,398 0.766,399 3.248,400 1.564,401 0.603,402 0.835,404 1.47,405 0.535,406 1.558,407 0.707,408 2.747,409 1.062,410 0.19,411 0.261,413 0.434,414 0.138,415 0.948,416 0.229,417 2.584,418 0.47,419 -0.435,420 -0.562,422 -1.127,423 -0.232,424 0.512,425 -0.159,426 2.066,427 0.247,428 -0.717,429 -0.812,431 -1.72,432 -0.468,433 0.439,434 -0.367,435 1.603,436 -0.005,437 -0.768,438 -0.938,440 -1.789,441 -0.768,442 0.238,443 -0.64,444 1.542,445 -0.209,446 -1.181,447 -1.43,449 -2.944,450 -0.927,451 -0.011,452 -0.99,453 1.474,454 -0.347,455 -1.295,456 -1.737,458 -3.592,459 -1.276,460 -0.165,461 -1.316,462 1.283,463 -0.64,464 -1.427,465 -1.89,467 -4.034,468 -1.326,469 10.667,470 0.561,471 0.617,472 0.032,473 24.5,474 1.289,475 13.5,476 0.711,477 11,478 0.579,479 16.216,480 0.853,481 18.733,482 0.646,483 13.939,484 0.734,485 4.64,486 0.244,487 4.329,488 0.228,489 0.359,491 0.328,496 0.787,497 0.894,498 0.474,499 0.606,500 0.772,501 0.681,502 0.776,503 1.055,504 0.586,505 0.721,506 0.617,507 0.753,508 1.202,509 1.005,510 1.077,511 1.043,512 0.988,513 1.036,514 1.166,515 1.052,516 0.712,517 0.815,518 1.383,519 0.983,520 0.981,521 0.997,522 1.008,523 1.067,524 1.102,525 1.02,526 1.261,527 0.989,528 1.044,529 1.032,530 1.614,531 1.038,532 0.904,533 0.92,534 0.755,535 0.877,536 1.069,537 0.753,538 1.011,539 0.976,540 0.816,541 0.94,542 0.9,543 0.876,544 5,545 0.012,546 2.667,547 1.597,548 1.134,549 0.393,550 0.287,551 0.26,552 0.171,553 0.119,554 3123,555 12843,556 1.935,557 34.5,559 6,562 1,563 3,567 1.601,568 1.754,569 3.041,570 -0.249,572 1,575 47.604,576 1.642,577 3.676,578 4.28,579 4.694,580 4.694,581 4.694,582 2.439,583 3.932,584 4.225,585 3.178,586 543.397,587 7.181,588 5464.46,590 1,592 1,593 140.881,594 1.568,595 4.14,596 0.25,597 0.004,598 0.095,599 0.061,600 0.054,601 0.023,602 0.018,603 0.015,604 0.012,605 0.013,606 0.547,607 0.67,608 1,609 0.73,610 82.979,611 -0.086,612 0.04,613 -0.005,614 0.032,615 -0.143,616 0.033,617 -0.017,618 -0.112,619 0.021,620 0.015,621 0.026,622 0.052,623 -0.066,624 -0.05,625 -0.11,626 -0.098,627 0.008,628 -0.154,629 -0.16,630 -0.082,631 0.214,632 0.141,633 -0.194,634 -0.021,635 -0.033,636 -0.015,637 -0.067,638 -0.087,639 -0.026,640 0.007,641 -0.063,642 -0.008,643 -0.14,644 -0.081,645 -0.028,646 -0.102,647 0.328,648 0.062,649 0.085,650 0.036,651 0.187,652 0.155,653 0.086,655 0.075,656 -0.003,657 -0.044,658 0.069,659 1.913,660 4.827,661 0.579,662 11.69,663 1.026,664 1.097,665 3.027,666 9.161,667 0.781,668 3.045,669 3.367,670 3.555,671 3.714,672 3.761,673 3.664,674 3.497,675 3.497,676 3.611,677 3.584,678 5.108,679 0.736,680 386.04,681 3.045,682 4.575,683 5.398,684 6.26,685 7.099,686 7.959,687 8.803,688 9.662,689 10.508,690 11.366,709 4,712 1,714 6,716 11,721 1,734 1,737 2,738 29,739 13,740 1,741 20,742 2,743 30,744 14,745 10,746 4,747 2,748 3,752 2,753 2,759 1,768 13,769 1,772 2,778 1,780 2,782 1,786 1,788 1,789 10,790 3,791 1,792 5,793 2,803 1,804 3,822 1,823 1,845 2,855 2,858 2,859 1,862 19,868 1,885 2,886 10.3,888 1,889 1,891 1,893 10.833,894 5.569,895 4.167,896 1.573,898 2.496,899 1.413,900 0.948,901 4.528,902 8.543,903 3.35,904 3.966,905 4.512,906 5.009,907 5.356,908 5.486,909 5.57,910 5.799,911 6.252,912 6.483,913 1,914 26,915 6.984,917 2.916,918 8.009,919 12.899,921 10.101,924 2.509,925 47.667,929 105.94,930 91.01,931 91.908,933 77.336,936 182.918,937 183.276,939 8.825,941 56.857,942 72.962,943 18.803,944 10.898,945 105.94,946 91.908,947 105.94,948 91.01,949 77.336,951 91.908,952 105.94,953 77.336,956 8.825,957 63.232,958 18.952,959 91.908,960 105.94,961 77.336,962 182.918,965 105.94,966 25.327,967 65.683,968 91.908,969 77.336,970 105.94,971 77.336,972 182.918,973 0.592,974 0.339,975 0.166,976 0.082,977 13,978 7,979 0.1,980 3,982 1,983 3.087,984 130.722,986 11,987 80.711,993 14.41,994 5.97,995 3.512,997 77.336,998 6.8,1001 5.23,1003 2.953,1005 42.683,1006 366.193,1007 27.5,1013 11.827,1015 2.914,1017 -0.247,1020 29.742,1021 31.803,1022 0.338,1023 0.757,1024 0.881,1025 0.966,1026 0.966,1027 0.966,1028 4.572,1029 0.603,1030 5.407,1031 1.772,1032 4.043,1033 4.649,1035 6.188,1036 3.94,1037 5.812,1038 0.19,1039 6.965,1040 1.47,1041 3.761,1042 4.543,1044 7.029,1045 3.544,1046 7.127,1047 -0.435,1048 8.617,1049 0.434,1050 5.624,1051 6.858,1053 10.071,1054 5.471,1055 8.475,1056 -0.717,1057 10.319,1058 -1.127,1059 6.089,1060 7.518,1062 11.674,1063 5.855,1064 9.85,1065 -0.768,1066 12.052,1067 -1.72,1068 7.474,1069 9.32,1071 14.249,1072 7.279,1073 11.242,1074 -1.181,1075 13.808,1076 -1.789,1077 8.271,1078 10.34,1080 16.183,1081 8.016,1082 12.65,1083 -1.295,1084 15.579,1085 -2.944,1086 9.473,1087 11.925,1089 18.578,1090 9.233,1091 3.006,1092 -1.427,1093 17.363,1094 -3.592,1095 10.424,1096 13.127,1098 20.667,1099 10.137,1100 2.855,1101 9.574,1102 19.157,1103 -4.034,1104 11.554,1105 14.612,1107 22.982,1108 11.262,1109 2.212,1110 8.748,1111 20.959,1112 4.091,1113 12.577,1114 15.907,1116 25.147,1117 12.245,1118 2.089,1119 5.979,1120 22.767,1121 3.85,1122 13.679,1123 17.344,1125 27.424,1126 13.331,1127 1.958,1128 5.77,1129 24.581,1130 2.958,1131 14.734,1132 18.686,1134 29.627,1135 14.351,1136 1.271,1137 5.638,1138 26.399,1139 2.758,1140 15.825,1141 20.102,1143 31.887,1144 15.42,1145 0.755,1146 3.317,1147 28.221,1148 2.578,1149 16.897,1150 21.468,1152 34.11,1153 16.459,1154 3199,1155 6598,1156 12.542,1157 22.637,1158 30.803,1159 31.634,1160 31.26,1161 30.206,1162 29.876,1163 40.403,1165 85.402,1166 27.819,1167 5.112,1168 5.497,1169 5.67,1170 4.951,1171 5.006,1172 7.091,1174 16.467,1175 4.922,1176 11.6,1177 1.54,1178 1.582,1179 1.563,1180 1.51,1181 1.494,1182 2.02,1184 4.27,1185 1.391,1186 3.982,1187 3.986,1188 6.893,1189 3.93,1190 7.429,1191 3.913,1192 3.887,1193 3.891,1194 6.867,1195 3.777,1196 6.468,1197 3.791,1198 3.458,1199 3.482,1200 3.916,1201 3.365,1202 5.022,1203 3.354,1204 3.068,1205 3.147,1206 3.712,1207 2.973,1208 4.653,1209 2.907,1210 2.961,1211 2.959,1212 3.318,1213 2.928,1214 4.165,1215 2.872,1216 2.843,1217 2.876,1218 2.838,1219 2.693,1220 3.751,1221 2.674,1222 2.534,1223 2.575,1224 2.662,1225 2.288,1226 3.713,1227 2.298,1228 2.215,1229 2.221,1230 2.606,1231 1.897,1232 3.618,1233 1.824,1234 0.22,1235 0.175,1236 0.319,1237 0.198,1238 0.15,1239 4.392,1240 0.205,1241 3.497,1243 6.371,1244 0.479,1245 3.951,1246 0.146,1247 3.006,1248 4.091,1250 9.574,1251 2.922,1252 1.906,1253 1.898,1254 1.932,1255 1.962,1256 1.109,1257 1.969,1258 1.604,1259 1.59,1260 1.775,1261 1.752,1262 0.854,1263 1.738,1264 1.536,1265 1.506,1266 1.659,1267 1.71,1268 0.712,1269 1.715,1270 1.224,1271 1.192,1272 1.424,1273 1.374,1274 0.492,1275 1.396,1276 0.856,1277 0.857,1278 1.061,1279 1.088,1280 0.115,1281 1.085,1282 0.818,1283 0.766,1284 0.935,1285 1.056,1286 0.026,1287 1.045,1288 0.615,1289 0.557,1290 0.884,1291 0.879,1293 0.897,1294 0.217,1295 0.198,1296 0.541,1297 0.648,1299 0.596,1300 3.714,1302 5.03,1303 2.398,1304 6.518,1305 4.595,1306 8.086,1307 6.555,1308 9.699,1309 6.559,1310 1.776,1314 9.856,1326 21.356,1327 47.604,1328 106.617,1329 124.127,1330 136.127,1331 136.127,1332 136.127,1333 37.327,1334 6.047,1335 50.44,1336 50.44,1337 11,1338 11.92,1339 3.807,1340 3.087,1341 33.772,1342 59,1343 52,1344 0.288,1345 145.601,1346 250.69,1347 347.027,1348 2715,1349 6.9,1350 13.991,1351 0.736,1352 0.692,1353 15.991,1354 13.156,1355 8.969,1356 0.448,1357 0.351,1358 5.48,1359 7.6,1360 5.215,1361 4.315,1362 10.124,1363 7.026,1364 8.406,1365 0.3,1366 0.204,1367 9.964,1368 5.703,1369 6.653,1370 0.196,1371 0.103,1372 7.886,1373 3.517,1374 5.003,1375 0.125,1376 0.07,1377 6.588,1378 2.786,1379 3.493,1380 0.083,1381 0.032,1382 4.311,1383 1.352,1384 0.449,1385 72.53,1386 0.282,1387 19.073,1388 0.794,1389 96,1390 334.93,1391 236.156,1392 393.884,1393 503,1394 362,1395 110,1396 307.406,1397 182.475,1398 334.895,1399 485.37,1400 314,1401 4.774}
{0 CHEMBL1549657,1 1.902,2 6.579,3 2.846,4 8.097,5 74.832,6 9.826,7 0.476,8 3.543,9 3.623,10 3.404,11 3.193,12 4.695,13 3.151,14 4.062,15 4.177,16 3.753,17 3.567,18 5.186,19 3.505,20 4.209,21 4.378,22 3.712,23 3.489,24 5.419,25 3.429,26 4.142,27 4.277,28 3.764,29 3.527,30 5.332,31 3.485,32 4.257,33 4.433,34 3.721,35 3.603,36 5.424,37 3.5,38 4.137,39 4.321,40 3.72,41 3.435,42 5.35,43 3.33,44 3.88,45 4.01,46 3.617,47 3.331,48 5.154,49 3.158,50 3.625,51 3.843,52 2.623,53 2.844,54 4.649,55 2.61,56 0.082,57 0.428,58 3.486,59 2.688,60 5.738,61 2.859,62 0.234,63 0.704,64 11.46,65 4.978,66 16.59,67 5.054,68 0.515,69 0.814,70 15.979,71 5.538,72 46.527,73 5.33,74 0.328,75 0.763,76 12.43,77 5.115,78 27.788,79 4.933,80 0.393,81 0.801,82 15.822,83 6.335,84 38.202,85 6.888,86 0.424,87 0.657,88 19.583,89 6.374,90 33.188,91 6.479,92 0.251,93 0.498,94 17.94,95 5.684,96 25.517,97 5.176,98 0.25,99 0.359,100 15.476,101 4.346,102 25.275,103 4.72,104 7,105 29,106 0.36,107 0.707,108 0.853,109 0.903,110 0.903,111 0.903,112 3.012,113 1.034,114 -3.19,115 -3.19,116 -3.06,120 43.3,122 1,126 1,128 1,143 4,152 2,153 2,158 1,159 1,167 1,174 2,176 1,177 4,185 2,188 2,189 6,197 3,200 1,201 7,209 2,213 1,214 3,222 1,227 6,235 3,240 2,247 6,260 2,274 404,275 13.146,276 13.146,277 13.146,278 13.146,279 13.146,280 11.629,281 12.742,282 7.813,283 13.486,284 10.314,285 10.314,286 10.314,287 10.314,288 10.314,289 8.01,290 17.029,291 3.626,292 10.895,293 3.005,294 1.171,295 0.4,296 0.133,297 0.133,298 0.133,299 3.684,300 1,305 1,306 1,307 1,308 268,309 2.55,312 152.848,320 1.014,321 19.443,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 41.333,333 125,334 4.403,335 3.816,336 6.723,337 4.154,338 3.19,339 3.836,340 2.093,341 10.961,342 3.072,343 4.059,344 3.277,345 6.07,346 3.647,347 2.709,348 3.578,349 0.782,350 8.781,351 2.54,352 3.786,353 2.904,354 5.661,355 3.429,356 2.439,357 3.119,358 0.627,359 7.363,360 2.391,361 3.33,362 2.193,363 4.665,364 2.849,365 1.892,366 2.555,367 0.313,368 4.905,369 1.792,370 2.912,371 1.914,372 4.284,373 2.494,374 1.532,375 2.003,377 3.805,378 1.465,379 2.449,380 1.793,381 3.808,382 2.049,383 1.09,384 1.402,386 2.627,387 1.02,388 2.13,389 1.389,390 3.286,391 1.721,392 0.777,393 0.952,395 1.917,396 0.711,397 2.118,398 0.928,399 3.208,400 1.618,401 0.618,402 0.927,404 1.619,405 0.618,406 2.118,407 0.795,408 3,409 1.578,410 0.618,411 0.927,413 1.372,414 0.589,415 1.898,416 0.618,417 3,418 1.46,419 0.618,420 0.8,422 1.372,423 0.505,424 1.457,425 0.618,426 2.507,427 0.89,428 0.149,429 0.175,431 0.204,432 0.085,433 0.448,434 0.011,435 2.274,436 0.065,437 -0.931,438 -1.116,440 -2.542,441 -0.916,442 0.192,443 -0.476,444 2.11,445 -0.078,446 -1.05,447 -1.234,449 -2.738,450 -1.011,451 -0.029,452 -0.962,453 1.515,454 -0.434,455 -1.369,456 -1.705,458 -2.984,459 -1.263,460 -0.118,461 -1.222,462 1.429,463 -0.608,464 -1.521,465 -1.778,467 -3.772,468 -1.268,469 9.514,470 0.501,471 0.38,472 0.02,473 23.25,474 1.224,475 11,476 0.579,477 12.25,478 0.645,479 14.657,480 0.771,481 19.886,482 0.663,483 14.27,484 0.751,485 4.525,486 0.238,487 4.767,488 0.251,489 0.11,491 0.305,496 0.645,497 1.054,498 0.571,499 0.818,500 0.528,501 0.8,502 0.911,503 1.236,504 0.957,505 1.034,506 0.725,507 0.978,508 1.026,509 0.994,510 0.85,511 0.919,512 1.02,513 0.932,514 1.062,515 1.226,516 0.838,517 1.027,518 1.015,519 0.966,520 0.917,521 0.988,522 0.899,523 0.892,524 1.008,525 1.01,526 1.088,527 0.721,528 0.961,529 0.93,530 1.136,531 0.848,532 1.327,533 1.084,534 1.414,535 1.309,536 1.531,537 1.206,538 1.255,539 0.863,540 1.696,541 1.236,542 1.236,543 1.34,544 3,546 2.222,547 0.778,548 1.16,549 0.667,550 0.271,551 0.161,552 0.031,554 3034,555 10874,556 2.113,557 36.7,559 7,560 2,563 2,567 1.611,568 2,569 2.783,570 -0.672,572 1,574 1,575 57.047,576 1.902,577 3.736,578 4.507,579 4.774,580 4.774,581 4.774,582 1.959,583 3.577,584 4.218,585 2.905,586 496.785,587 7.224,588 4890.6,589 1,590 1,591 1,592 1,593 147.207,594 1.324,595 4.189,596 0.143,598 0.077,599 0.031,600 0.041,601 0.027,602 0.013,603 0.01,604 0.005,606 0.347,607 0.67,608 1,609 1.013,610 80.656,611 0.017,612 -0.006,613 0.034,614 0.003,615 -0.013,616 -0.003,617 -0.072,618 -0.195,619 -0.132,620 -0.129,621 -0.074,622 -0.122,623 0.046,624 0.081,625 -0.043,626 -0.02,627 0.044,628 -0.044,629 -0.065,630 -0.165,631 -0.073,632 -0.142,633 -0.067,634 -0.117,635 -0.005,636 -0.028,637 -0.03,638 0.001,639 0.003,640 -0.054,641 0.038,642 0.177,643 0.159,644 0.107,645 0.046,646 0.195,647 -0.191,648 -0.184,649 -0.04,650 -0.075,651 -0.145,652 -0.166,653 -0.238,654 -0.071,655 -0.337,656 -0.152,657 -0.233,658 -0.192,659 1.88,660 4.883,661 0.789,662 12.853,663 1.023,664 1.112,665 1.964,666 3.857,667 0.741,668 3.091,669 3.401,670 3.714,671 3.989,672 4.06,673 4.263,674 4.304,675 4.304,676 4.174,677 3.807,678 4.432,679 0.704,680 294.78,681 3.091,682 4.615,683 5.476,684 6.358,685 7.244,686 8.136,687 9.03,688 9.928,689 10.826,690 11.725,691 6.7,698 1,700 1,709 6,712 1,713 1,714 2,716 10,738 30,739 12,741 21,743 32,744 13,745 8,748 1,750 1,752 3,753 3,754 1,755 1,759 1,763 2,766 2,768 10,769 3,772 2,778 1,781 1,782 2,785 1,786 1,788 1,789 11,790 4,792 6,793 2,797 2,803 1,804 2,822 3,855 3,857 1,860 1,862 19,869 2,874 1,875 1,880 1,885 1,886 6.7,889 1,891 1,893 9.5,894 5.376,895 4.278,896 1.688,898 1.808,899 1.283,900 0.983,901 3.709,902 8.188,903 3.367,904 3.902,905 4.44,906 4.953,907 5.056,908 5.494,909 5.764,910 6.087,911 6.256,912 6.23,913 0.6,914 25,915 7.014,917 3.01,918 7.839,919 13.269,921 10.936,924 2.339,925 44.444,926 0.001,929 129.482,930 108.224,931 19.665,932 39.149,933 34.652,935 31.278,936 76.946,937 203.283,938 19.665,940 8.386,941 57.294,942 32.606,943 26.17,944 30.349,945 176.366,947 129.482,948 96.611,949 34.652,950 70.426,952 129.482,953 34.652,956 25.049,957 71.562,958 39.149,959 31.278,960 129.482,961 54.317,962 147.373,965 129.482,966 50.93,967 60.295,969 90.464,970 129.482,971 54.317,972 147.373,973 0.572,974 0.349,975 0.193,976 0.092,977 15,978 6,979 0.063,980 2,982 1,983 3.146,984 142.902,986 15,987 80.711,989 1,993 12.881,994 5.47,995 2.469,997 54.317,998 11.218,1001 5.401,1002 1.608,1003 1.801,1006 331.172,1007 28,1013 11.883,1016 4.405,1017 0.685,1020 30.676,1021 33.355,1022 0.388,1023 0.761,1024 0.918,1025 0.973,1026 0.973,1027 0.973,1028 4.59,1029 0.618,1030 5.451,1031 1.917,1032 4.078,1033 4.585,1034 2.392,1035 6.279,1036 3.981,1037 5.771,1038 0.618,1039 7.017,1040 1.619,1041 3.611,1042 4.159,1043 1.593,1044 7.222,1045 3.507,1046 7.06,1047 0.618,1048 8.688,1049 1.372,1050 5.673,1051 6.655,1052 3.389,1053 10.354,1054 5.499,1055 8.39,1056 0.149,1057 10.424,1058 1.372,1059 6.133,1060 7.166,1061 3.32,1062 12.163,1063 5.927,1064 9.754,1065 -0.931,1066 12.202,1067 0.204,1068 7.587,1069 8.981,1070 4.681,1071 14.79,1072 7.337,1073 11.141,1074 -1.05,1075 14.006,1076 -2.542,1077 8.432,1078 9.903,1079 4.946,1080 16.927,1081 8.141,1082 12.543,1083 -1.369,1084 15.829,1085 -2.738,1086 9.678,1087 11.445,1088 6.065,1089 19.394,1090 9.35,1091 3.19,1092 -1.521,1093 17.666,1094 -2.984,1095 10.689,1096 12.567,1097 6.511,1098 21.671,1099 10.32,1100 2.709,1101 10.961,1102 19.513,1103 -3.772,1104 11.862,1105 13.989,1106 7.486,1107 24.082,1108 11.458,1109 2.439,1110 8.781,1111 21.369,1112 3.836,1113 12.947,1114 15.211,1115 8.041,1116 26.421,1117 12.503,1118 1.892,1119 7.363,1120 23.23,1121 3.578,1122 14.098,1123 16.578,1124 8.928,1125 28.815,1126 13.619,1127 1.532,1128 4.905,1129 25.097,1130 3.119,1131 15.217,1132 17.851,1133 9.55,1134 31.181,1135 14.7,1136 1.09,1137 3.805,1138 26.968,1139 2.555,1140 16.364,1141 19.194,1142 10.383,1143 33.571,1144 15.811,1145 0.777,1146 2.627,1147 28.843,1148 2.003,1149 17.499,1150 20.493,1151 11.047,1152 35.95,1153 16.91,1154 2993,1155 5756,1156 14.216,1157 22.233,1158 31.989,1159 32.423,1160 32.172,1161 31.237,1162 31.265,1163 40.549,1164 7.632,1165 89.85,1166 29.575,1167 5.314,1168 5.719,1169 6.319,1170 5.239,1171 5.19,1172 6.532,1173 3.761,1174 18.04,1175 5.057,1176 7.248,1177 1.523,1178 1.544,1179 1.532,1180 1.487,1181 1.489,1182 1.931,1183 0.363,1184 4.279,1185 1.408,1186 4.011,1187 4.036,1188 4.234,1189 3.951,1190 7.428,1191 3.906,1192 3.831,1193 3.836,1194 3.919,1195 3.761,1196 5.079,1197 3.748,1198 3.627,1199 3.657,1200 3.775,1201 3.449,1202 4.777,1203 3.463,1204 3.358,1205 3.396,1206 3.488,1207 3.212,1208 4.655,1209 3.201,1210 2.713,1211 2.773,1212 2.916,1213 2.592,1214 4.443,1215 2.587,1216 2.601,1217 2.676,1218 2.682,1219 2.376,1220 3.621,1221 2.302,1222 2.427,1223 2.506,1224 2.595,1225 2.287,1226 3.444,1227 2.24,1228 2.384,1229 2.453,1230 2.239,1231 2.218,1232 3.228,1233 2.181,1234 0.21,1235 0.182,1236 0.32,1237 0.198,1238 0.152,1239 4.403,1240 0.183,1241 3.816,1242 0.1,1243 6.723,1244 0.522,1245 4.154,1246 0.146,1247 3.19,1248 3.836,1249 2.093,1250 10.961,1251 3.072,1252 1.673,1253 1.645,1254 1.813,1255 1.832,1256 1.149,1257 1.818,1258 1.567,1259 1.538,1260 1.68,1261 1.731,1262 0.801,1263 1.722,1264 1.432,1265 1.399,1266 1.603,1267 1.587,1268 0.707,1269 1.6,1270 1.414,1271 1.387,1272 1.546,1273 1.556,1274 0.654,1275 1.57,1276 1.281,1277 1.274,1278 1.352,1279 1.441,1280 0.563,1281 1.461,1282 0.965,1283 0.933,1284 1.116,1285 1.155,1286 0.282,1287 1.187,1288 0.741,1289 0.671,1290 0.909,1291 1,1293 1.028,1294 0.16,1295 0.14,1296 0.476,1297 0.578,1299 0.521,1300 3.761,1302 5.069,1303 3.434,1304 6.555,1305 5.638,1306 8.129,1307 7.618,1308 9.756,1311 5.643,1315 0.565,1320 -0.196,1321 1.431,1326 21.121,1327 57.047,1328 112.087,1329 135.207,1330 143.207,1331 143.207,1332 143.207,1333 28.767,1334 6.38,1335 45.81,1336 74.05,1337 15,1338 12.248,1339 3.7,1340 3,1341 27.531,1342 50,1343 44,1344 0.282,1345 136.771,1346 232.04,1347 325.482,1348 3755,1349 3.3,1350 13.242,1351 0.697,1352 0.607,1353 14.096,1354 11.525,1355 9.292,1356 0.442,1357 0.345,1358 5.86,1359 8.142,1360 5.626,1361 4.594,1362 10.1,1363 7.235,1364 8.034,1365 0.277,1366 0.184,1367 8.821,1368 5.346,1369 7.146,1370 0.179,1371 0.103,1372 8.15,1373 4.105,1374 5.843,1375 0.11,1376 0.055,1377 6.629,1378 2.939,1379 3.823,1380 0.067,1381 0.029,1382 4.305,1383 1.641,1384 0.418,1385 66.614,1386 0.265,1387 18.605,1388 0.854,1389 100,1390 333.825,1391 144.457,1392 363.898,1393 482.49,1394 342,1395 119,1396 314.35,1397 158.129,1398 331.629,1399 486.99,1400 312,1401 5.201}
{0 CHEMBL1549738,1 1.847,2 7.579,3 2.723,4 7.415,5 72.287,6 10.247,7 0.524,8 3.518,9 3.596,10 3.352,11 3.126,12 4.699,13 3.125,14 4.054,15 4.178,16 3.805,17 3.519,18 5.237,19 3.517,20 4.272,21 4.395,22 3.895,23 3.636,24 5.537,25 3.603,26 4.255,27 4.396,28 3.681,29 3.519,30 5.524,31 3.473,32 4.168,33 4.345,34 3.7,35 3.388,36 5.486,37 3.328,38 3.96,39 4.171,40 3.335,41 3.226,42 5.122,43 3.123,44 3.624,45 3.786,46 3.184,47 2.951,48 4.991,49 2.859,50 3.31,51 3.509,52 2.904,53 2.668,54 4.418,55 2.492,56 0.103,57 0.398,58 2.424,59 2.314,60 7.02,61 2.447,62 0.3,63 0.655,64 7.797,65 4.108,66 17.855,67 4.245,68 0.532,69 0.721,70 14.513,71 5.623,72 41.218,73 5.444,74 0.547,75 0.724,76 14.851,77 5.48,78 47.884,79 5.152,80 0.637,81 0.638,82 16.736,83 5.693,84 54.149,85 6.194,86 0.345,87 0.522,88 17.455,89 4.961,90 33.187,91 5.908,92 0.327,93 0.371,94 8.628,95 3.037,96 39.368,97 2.9,98 0.171,99 0.246,100 7.557,101 2.581,102 9.471,103 3.275,104 17,105 31,106 0.353,107 0.729,108 0.853,109 0.885,110 0.885,111 0.885,112 3.012,113 0.926,114 -3.85,115 -3.81,116 -3.62,120 44.8,122 1,125 1,128 1,143 3,144 1,145 2,146 1,154 1,158 1,162 1,174 2,176 1,177 6,185 5,188 2,189 6,197 5,200 1,201 1,209 1,213 2,214 8,222 3,227 4,240 1,247 2,252 2,260 2,274 360,275 12.516,276 12.516,277 12.516,278 12.516,279 12.516,280 10.946,281 13.509,282 7.075,283 13.014,284 10.317,285 10.317,286 10.317,287 10.317,288 10.317,289 7.947,290 14.792,291 3.346,292 11.26,293 3.011,294 1.044,295 0.397,296 0.233,297 0.233,298 0.233,299 3.683,303 1,304 1,306 1,307 1,308 310,309 2,312 44.735,313 85.167,317 72.743,320 1.285,321 24.494,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 41.667,333 144,334 4.474,335 3.726,336 6.656,337 4.125,338 3.176,339 4.097,340 1.277,341 10.647,342 3.048,343 4.334,344 3.368,345 6.441,346 3.893,347 2.957,348 3.995,349 1.151,350 9.872,351 2.732,352 3.638,353 2.984,354 5.562,355 3.236,356 2.335,357 2.962,359 7.042,360 2.099,361 3.388,362 2.883,363 5.079,364 3.038,365 2.106,366 2.561,368 5.901,369 1.912,370 3.287,371 2.525,372 4.953,373 2.864,374 1.942,375 2.5,377 5.699,378 1.678,379 2.631,380 1.773,381 4.424,382 2.206,383 1.31,384 1.655,386 3.847,387 1.139,388 2.565,389 1.358,390 3.843,391 2.068,392 1.147,393 1.588,395 2.805,396 1.053,397 2.39,398 1.224,399 3.671,400 1.918,401 0.956,402 1.319,404 2.434,405 0.885,406 1.411,407 0.857,408 2.833,409 0.99,410 0.111,411 0.132,413 0.265,414 0.084,415 0.974,416 0.556,417 2.655,418 0.649,419 -0.23,420 -0.265,422 -0.519,423 -0.164,424 0.777,425 0.279,426 2.34,427 0.41,428 -0.478,429 -0.557,431 -1.262,432 -0.398,433 0.675,434 -0.313,435 2.17,436 0.209,437 -0.765,438 -0.97,440 -2.232,441 -0.63,442 0.244,443 -0.549,444 2,445 -0.135,446 -1,447 -1.306,449 -2.657,450 -0.816,451 0.033,452 -0.715,453 1.693,454 -0.416,455 -1.182,456 -1.412,458 -2.923,459 -0.944,460 -0.058,461 -1.008,462 1.551,463 -0.46,464 -1.35,465 -1.697,467 -3.737,468 -1.23,469 9.395,470 0.494,471 0.613,472 0.032,473 25,474 1.316,475 12,476 0.632,477 13,478 0.684,479 14.127,480 0.744,481 20.005,482 0.69,483 16.177,484 0.851,485 4.907,486 0.258,487 4.152,488 0.219,489 0.241,491 0.415,496 0.686,497 1.37,498 0.475,499 0.877,500 0.557,501 0.799,502 0.868,503 0.993,504 0.549,505 0.751,506 0.632,507 0.71,508 1.225,509 0.972,510 0.99,511 0.977,512 1.153,513 0.985,514 1.325,515 1.137,516 1.103,517 1.15,518 1.311,519 1.202,520 0.759,521 0.933,522 0.736,523 0.955,524 0.845,525 0.956,526 0.917,527 0.963,528 1.08,529 0.987,530 1.082,531 0.955,532 1.196,533 0.904,534 1.117,535 0.906,536 1.689,537 1.063,538 0.413,539 1.095,540 1.168,541 1.314,542 0.416,543 1.356,544 4.5,546 2.889,547 1.632,548 1.468,549 0.604,550 0.439,551 0.212,552 0.116,553 0.06,554 3006,555 11841,556 2.05,557 34.5,559 7,561 1,563 2,567 1.605,568 1.869,569 2.911,570 -0.672,572 1,573 1,574 1,575 53.556,576 1.847,577 3.814,578 4.461,579 4.625,580 4.625,581 4.625,582 2.524,583 4.037,584 4.222,585 3.01,586 514.692,587 7.201,588 4853.68,589 1,590 1,591 1,592 1,593 140.881,594 1.529,595 4.153,596 0.214,598 0.093,599 0.053,600 0.059,601 0.027,602 0.026,603 0.018,604 0.017,605 0.015,606 0.521,607 0.83,608 1,609 0.697,610 80.633,611 -0.054,612 -0.272,613 0.01,614 -0.098,615 -0.049,616 -0.035,617 -0.047,618 0.101,619 0.077,620 0.083,621 -0.003,622 0.121,623 -0.138,624 0.016,625 -0.137,626 -0.058,627 -0.14,628 -0.11,629 -0.225,630 -0.137,631 -0.277,632 -0.243,633 -0.178,634 -0.32,635 0.291,636 -0.012,637 0.157,638 0.029,639 0.231,640 0.065,641 -0.079,642 -0.046,643 -0.012,644 0.046,645 -0.038,646 0.15,647 -0.169,648 0.081,649 -0.107,650 0.065,651 -0.194,652 -0.106,653 0.27,654 -0.221,655 0.083,656 -0.243,657 0.096,658 -0.219,659 1.751,660 5.131,661 0.789,662 11.524,663 1.032,664 1.117,665 2.618,666 6.854,667 0.739,668 3.091,669 3.466,670 3.761,671 4.025,672 4.234,673 4.29,674 4.407,675 4.5,676 4.543,677 4.331,678 4.489,679 0.716,680 297.15,681 3.091,682 4.654,683 5.525,684 6.425,685 7.314,686 8.215,687 9.11,688 10.012,689 10.909,690 11.811,691 6.9,699 1,701 1,709 4,710 1,714 5,715 1,716 11,721 1,735 1,737 2,738 29,739 12,740 1,741 21,743 31,744 13,745 9,746 3,747 3,748 1,752 3,753 4,754 2,763 2,766 2,768 10,769 3,772 1,778 1,782 1,786 1,789 10,790 3,792 6,793 2,794 1,797 2,803 0.667,804 2,822 1,823 2,827 1,855 2,859 1,860 2,862 19,869 1,872 1,874 1,885 2,886 6.9,889 1,891 1,893 10.167,894 5.686,895 4.056,896 1.655,898 2.123,899 1.318,900 0.991,901 3.188,902 8.79,903 3.35,904 3.984,905 4.55,906 5.073,907 5.454,908 5.602,909 5.902,910 6.218,911 6.56,912 6.726,913 1,914 31,915 7.01,917 3.071,918 7.95,919 13.049,921 10.834,924 2.45,925 46.556,926 0.001,929 117.711,930 70.87,931 18.685,932 78.297,933 36.145,936 70.87,937 232.153,938 18.685,939 8.396,940 2.535,941 28.429,942 61.163,943 36.948,944 39.149,945 105.94,946 39.149,947 117.711,948 89.554,949 36.145,950 78.297,952 117.711,953 36.145,956 18.881,957 53.888,958 55.934,959 39.149,960 117.711,961 54.829,962 149.167,965 117.711,966 24.997,967 47.772,969 131.228,970 117.711,971 54.829,972 149.167,973 0.602,974 0.36,975 0.189,976 0.103,977 17,978 8,979 0.032,980 1,981 1,982 1.133,983 3.048,984 146.258,985 0.133,986 15,987 80.711,993 12.82,994 4.726,995 2.212,997 52.93,998 6.566,999 4.192,1003 2.718,1004 1.709,1006 321.708,1007 27.5,1013 12.131,1017 -0.007,1020 29.924,1021 32.379,1022 0.38,1023 0.785,1024 0.918,1025 0.952,1026 0.952,1027 0.952,1028 4.613,1029 0.956,1030 5.549,1031 2.805,1032 4.143,1033 4.668,1034 1.933,1035 6.405,1036 3.987,1037 5.847,1038 0.111,1039 7.146,1040 2.434,1041 3.892,1042 4.605,1044 7.376,1045 3.627,1046 7.177,1047 -0.23,1048 8.839,1049 0.265,1050 5.79,1051 6.873,1052 2.286,1053 10.488,1054 5.523,1055 8.539,1056 -0.478,1057 10.585,1058 -0.519,1059 6.312,1060 7.596,1062 12.25,1063 5.96,1064 9.931,1065 -0.765,1066 12.364,1067 -1.262,1068 7.731,1069 9.37,1070 2.663,1071 14.889,1072 7.367,1073 11.343,1074 -1,1075 14.167,1076 -2.232,1077 8.595,1078 10.448,1080 16.982,1081 8.167,1082 12.771,1083 -1.182,1084 15.987,1085 -2.657,1086 9.834,1087 12.02,1088 3.061,1089 19.446,1090 9.383,1091 3.176,1092 -1.35,1093 17.82,1094 -2.923,1095 10.851,1096 13.265,1098 21.681,1099 10.346,1100 2.957,1101 10.647,1102 19.663,1103 -3.737,1104 12.023,1105 14.747,1106 3.475,1107 24.076,1108 11.487,1109 2.335,1110 9.872,1111 21.514,1112 4.097,1113 13.107,1114 16.071,1116 26.373,1117 12.524,1118 2.106,1119 7.042,1120 23.371,1121 3.995,1122 14.255,1123 17.511,1124 3.904,1125 28.739,1126 13.636,1127 1.942,1128 5.901,1129 25.233,1130 2.962,1131 15.369,1132 18.873,1134 31.064,1135 14.707,1136 1.31,1137 5.699,1138 27.1,1139 2.561,1140 16.509,1141 20.293,1142 4.343,1143 33.419,1144 15.81,1145 1.147,1146 3.847,1147 28.969,1148 2.5,1149 17.637,1150 21.674,1152 35.757,1153 16.896,1154 2979,1155 5990,1156 13.641,1157 21.443,1158 32.663,1159 33.937,1160 34.021,1161 32.305,1162 32.08,1163 41.619,1164 4.857,1165 97.025,1166 29.26,1167 5.419,1168 5.726,1169 5.959,1170 5.23,1171 5.176,1172 7.097,1173 2.555,1174 17.764,1175 5.048,1176 10.23,1177 1.555,1178 1.616,1179 1.62,1180 1.538,1181 1.528,1182 1.982,1183 0.231,1184 4.62,1185 1.393,1186 4.033,1187 4.062,1188 4.092,1189 3.919,1190 7.427,1191 3.928,1192 3.877,1193 3.91,1194 3.999,1195 3.732,1196 5.067,1197 3.752,1198 3.459,1199 3.491,1200 3.598,1201 3.323,1202 4.94,1203 3.325,1204 3.045,1205 3.148,1206 3.236,1207 2.835,1208 4.583,1209 2.847,1210 3.005,1211 3.021,1212 3.107,1213 2.803,1214 4.322,1215 2.779,1216 2.784,1217 2.802,1218 2.838,1219 2.711,1220 3.93,1221 2.692,1222 2.624,1223 2.673,1224 2.72,1225 2.418,1226 3.858,1227 2.425,1228 2.245,1229 2.262,1230 2.468,1231 2.013,1232 3.622,1233 2.019,1234 0.213,1235 0.177,1236 0.317,1237 0.196,1238 0.151,1239 4.474,1240 0.195,1241 3.726,1242 0.061,1243 6.656,1244 0.507,1245 4.125,1246 0.145,1247 3.176,1248 4.097,1249 1.277,1250 10.647,1251 3.048,1252 1.932,1253 1.922,1254 2.005,1255 2.045,1256 1.207,1257 2.034,1258 1.623,1259 1.574,1260 1.772,1261 1.818,1262 0.965,1263 1.813,1264 1.447,1265 1.402,1266 1.635,1267 1.626,1268 0.778,1269 1.636,1270 1.221,1271 1.174,1272 1.37,1273 1.436,1274 0.379,1275 1.425,1276 0.934,1277 0.885,1278 1.171,1279 1.165,1280 0.276,1281 1.168,1282 0.777,1283 0.736,1284 1,1285 0.964,1286 0.128,1287 0.993,1288 0.646,1289 0.58,1290 0.852,1291 0.852,1292 0.001,1293 0.87,1294 0.325,1295 0.287,1296 0.548,1297 0.707,1299 0.665,1300 3.761,1302 5.118,1303 2.398,1304 6.668,1305 4.727,1306 8.308,1307 6.783,1308 9.995,1310 1.788,1311 11.831,1315 0.231,1318 5.816,1320 -0.418,1326 20.761,1327 53.556,1328 110.617,1329 129.372,1330 134.127,1331 134.127,1332 134.127,1333 32.033,1334 6.667,1335 44.12,1336 44.12,1337 17,1338 12.332,1339 3.7,1340 2.907,1341 27.735,1342 52,1343 48,1344 0.28,1345 133.973,1346 228.74,1347 318.654,1348 5737,1349 6.9,1350 13.569,1351 0.714,1352 0.609,1353 14.569,1354 11.573,1355 9.059,1356 0.431,1357 0.309,1358 5.695,1359 8.126,1360 5.493,1361 4.481,1362 9.636,1363 6.481,1364 8.629,1365 0.278,1366 0.168,1367 9.408,1368 5.196,1369 7.455,1370 0.177,1371 0.089,1372 8.124,1373 3.724,1374 6.032,1375 0.11,1376 0.045,1377 6.459,1378 2.449,1379 4.831,1380 0.071,1381 0.025,1382 5.374,1383 1.685,1384 0.419,1385 63.172,1386 0.271,1387 18.529,1388 0.827,1389 104,1390 353.168,1391 146.191,1392 394.357,1393 514.45,1394 366,1395 125,1396 330.359,1397 158.572,1398 349.944,1399 516.93,1400 329,1401 4.411}
{0 CHEMBL1549840,1 1.717,2 11.278,3 4.064,4 16.512,5 132.269,6 8.803,7 0.462,8 4.185,9 4.255,10 3.991,11 3.756,12 5.423,13 3.742,14 4.699,15 4.802,16 4.336,17 4.132,18 6.121,19 4.122,20 4.941,21 5.065,22 4.486,23 4.283,24 6.287,25 4.269,26 5.031,27 5.159,28 4.511,29 4.349,30 6.492,31 4.315,32 5.098,33 5.238,34 4.553,35 4.415,36 6.474,37 4.368,38 5.144,39 5.291,40 4.535,41 4.356,42 6.536,43 4.33,44 5.051,45 5.192,46 4.505,47 4.23,48 6.681,49 4.243,50 4.914,51 5.037,52 4.36,53 4.196,54 6.551,55 4.181,56 0.279,57 0.803,58 10.967,59 5.915,60 28.69,61 5.793,62 0.683,63 1.279,64 20.246,65 9.446,66 100.407,67 9.686,68 0.887,69 1.589,70 27.717,71 11.935,72 84.718,73 12.103,74 1.069,75 1.716,76 32.02,77 13.44,78 159.743,79 13.196,80 0.984,81 1.856,82 38.424,83 15.266,84 124.902,85 15.461,86 1.293,87 1.865,88 41.785,89 14.894,90 183.348,91 14.879,92 1.614,93 1.621,94 33.592,95 12.444,96 254.545,97 13.512,98 1.179,99 1.502,100 28.057,101 11.557,102 170.138,103 12.458,104 75,105 57,106 0.275,107 0.6,108 0.764,109 0.858,110 0.873,111 0.873,112 3.616,113 0.95,114 -3.56,115 -3.53,116 -3.37,120 43.1,121 1,125 1,126 1,129 1,136 1,139 1,143 11,144 2,145 5,159 1,167 2,174 10,176 3,177 9,182 1,185 10,188 2,189 20,192 1,194 2,197 6,200 2,201 19,206 1,209 5,213 2,214 21,219 1,222 13,226 4,227 11,235 15,239 10,240 6,247 17,251 4,252 13,255 4,260 13,264 15,269 1,271 6,274 2546,275 23.858,276 23.858,277 23.858,278 23.858,279 23.858,280 20.864,281 28.191,282 13.75,283 24.663,284 19.1,285 19.1,286 19.1,287 19.1,288 19.1,289 14.384,290 32.638,291 6.308,292 20.279,293 4.141,294 2.11,295 1.087,296 0.5,297 0.405,298 0.405,299 4.303,307 1,308 854,309 3.937,312 105.815,313 371.545,320 1.753,321 72.385,324 0.75,325 0.67,326 0.83,327 0.5,329 0.67,330 1,331 0.63,332 81,333 406,334 5.053,335 5.432,336 7.908,337 4.586,338 3.703,339 4.813,340 3.533,341 14.877,342 3.264,343 4.283,344 3.781,345 6.505,346 3.838,347 2.876,348 3.977,349 2.612,350 9.859,351 2.771,352 4.242,353 3.555,354 6.207,355 3.773,356 2.804,357 3.902,358 1.185,359 8.937,360 2.715,361 4.147,362 3.393,363 6.064,364 3.725,365 2.781,366 3.705,367 0.86,368 8.712,369 2.599,370 3.819,371 3.122,372 5.907,373 3.384,374 2.429,375 3.228,376 0.86,377 7.926,378 2.331,379 3.786,380 2.882,381 5.425,382 3.36,383 2.409,384 3.157,385 0.424,386 7.035,387 2.249,388 3.578,389 2.492,390 5.277,391 3.142,392 2.166,393 2.921,395 6.555,396 2.103,397 3.344,398 2.356,399 5.132,400 2.908,401 1.919,402 2.587,404 5.873,405 1.877,406 3.01,407 2.193,408 4.725,409 2.481,410 1.532,411 2.158,413 4.341,414 1.456,415 2.884,416 1.981,417 4.206,418 2.462,419 1.515,420 2.021,422 3.836,423 1.419,424 2.681,425 1.721,426 3.826,427 2.165,428 1.205,429 1.648,431 2.936,432 1.148,433 2.582,434 1.577,435 3.549,436 2,437 1.038,438 1.576,440 2.323,441 1,442 2.5,443 1.221,444 3.438,445 2,446 1,447 1.5,449 2.275,450 1,451 2.223,452 1.129,453 3.414,454 1.969,455 1,456 1.151,458 1.872,459 0.954,460 2.089,461 1,462 3.414,463 1.555,464 0.579,465 0.794,467 1.46,468 0.552,469 16.8,470 0.467,471 1.092,472 0.03,473 52,474 1.444,475 29,476 0.806,477 23,478 0.639,479 28.495,480 0.792,481 39,482 0.672,483 49.972,484 1.388,485 10.359,486 0.288,487 6.808,488 0.189,489 0.179,490 0.05,491 0.345,496 0.578,497 1.151,498 0.755,499 1.125,500 0.636,501 0.901,502 0.781,503 1.097,504 0.836,505 0.995,506 0.554,507 0.87,508 0.946,509 1.088,510 0.912,511 1.023,512 0.849,513 0.93,514 1.07,515 1.05,516 1.103,517 1.042,518 1.042,519 0.986,520 0.996,521 1.068,522 1.194,523 1.179,524 1.1,525 1.006,526 1.148,527 1.052,528 1.158,529 1.124,530 1.471,531 0.999,532 0.84,533 0.907,534 0.709,535 0.853,536 1.029,537 0.834,538 0.643,539 1.117,540 1.005,541 1.163,542 0.557,543 1.081,544 8.5,545 0.276,546 5.111,547 4.271,548 3.203,549 1.917,550 1.404,551 1.168,552 0.525,553 0.455,554 16436,555 57947,556 2.001,557 37.9,559 17,560 1,562 1,564 3,567 1.784,568 1.823,569 3.428,570 -0.3,575 99.559,576 1.717,577 3.748,578 4.771,579 5.358,580 5.453,581 5.453,582 2.938,583 4.705,584 5.133,585 3.636,586 2290.4,587 9.086,588 34952.7,593 339.763,594 1.68,595 5.067,596 0.218,597 0.007,598 0.09,599 0.067,600 0.05,601 0.029,602 0.022,603 0.018,604 0.009,605 0.01,606 0.519,607 0.33,608 0.75,609 1.068,610 192.195,611 0.084,612 -0.011,613 0.153,614 -0.006,615 -0.089,616 0.021,617 0.052,618 -0.025,619 0.08,620 0.05,621 0.144,622 0.064,623 -0.042,624 -0.032,625 0.043,626 -0.001,627 -0.034,628 0.011,629 -0.111,630 -0.006,631 -0.065,632 0.023,633 0.002,634 -0.033,635 -0.109,636 -0.029,637 -0.054,638 -0.04,639 -0.069,640 -0.006,641 -0.116,642 -0.033,643 -0.059,644 -0.063,645 -0.222,646 -0.028,647 0.278,648 0.062,649 0.198,650 0.067,651 0.186,652 0.105,653 0.288,654 -0.085,655 -0.073,656 -0.165,657 0.363,658 -0.138,659 5.254,660 6.758,661 0.639,662 40.843,663 1.03,664 1.116,665 2.33,666 5.429,667 0.688,668 3.689,669 4.06,670 4.369,671 4.673,672 4.942,673 5.05,674 5.268,675 5.447,676 5.553,677 5.62,678 6.909,679 0.676,680 510.56,681 3.689,682 5.263,683 6.138,684 7.052,685 7.955,686 8.88,687 9.799,688 10.732,689 11.661,690 12.6,691 3.4,698 1,702 1,709 11,714 7,716 18,731 1,734 1,735 2,738 58,739 24,740 3,741 39,743 61,744 25,745 18,746 7,747 11,748 3,752 4,753 4,759 1,768 21,769 4,772 6,775 1,776 1,778 5,780 1,782 2,789 22,790 9,791 1,792 11,793 1,797 2,803 1,804 8,822 1,823 3,839 1,845 2,855 4,857 1,859 2,862 36,865 1,868 1,869 1,872 2,874 1,875 1,886 13.8,888 1,889 3,891 2,892 2,893 19.75,894 11.017,895 7.944,896 3.292,898 2.865,899 1.36,900 0.951,901 7.245,902 10.833,903 4.007,904 4.649,905 5.192,906 5.735,907 6.3,908 6.553,909 7.009,910 7.406,911 7.733,912 7.984,913 0.875,914 64,915 13.904,917 6.703,918 8.243,919 24.379,921 20.161,924 2.743,925 98.75,929 247.193,930 172.688,931 8.794,933 184.888,935 6.046,936 166.643,937 432.081,938 8.794,939 25.378,940 7.717,941 119.761,942 118.397,943 44.371,944 11.771,945 235.422,946 50.747,947 247.193,948 175.437,949 184.888,950 6.046,952 211.88,953 169.454,954 50.747,956 16.542,957 142.198,958 22.743,960 247.193,961 193.682,962 172.688,964 6.046,965 247.193,966 33.219,967 142.218,969 184.888,970 247.193,971 193.682,972 172.688,973 0.589,974 0.355,975 0.192,976 0.108,977 27,978 14,979 0.115,980 7,982 1,983 4.288,984 364.284,986 23,987 178.117,992 1,993 25.545,994 10.21,995 4.928,997 188.012,998 15.655,1003 0.838,1005 42.683,1006 613.564,1007 54,1010 -0.631,1011 -4.338,1013 63.821,1015 1.193,1017 -1.302,1020 59.734,1021 64.744,1022 0.293,1023 0.64,1024 0.814,1025 0.915,1026 0.931,1027 0.931,1028 5.27,1029 1.919,1030 6.176,1031 6.555,1032 4.745,1033 5.338,1034 3.746,1035 7.089,1036 4.631,1037 6.526,1038 1.532,1039 7.808,1040 5.873,1041 4.575,1042 5.427,1043 2.76,1044 8.363,1045 4.34,1046 7.888,1047 1.515,1048 9.556,1049 4.341,1050 6.466,1051 7.64,1052 5.879,1053 11.509,1054 6.198,1055 9.292,1056 1.205,1057 11.375,1058 3.836,1059 7.116,1060 8.522,1061 5.261,1062 13.674,1063 6.682,1064 10.731,1065 1.038,1066 13.244,1067 2.936,1068 8.552,1069 10.279,1070 8.257,1071 16.465,1072 8.072,1073 12.198,1074 1,1075 15.15,1076 2.323,1077 9.563,1078 11.507,1079 7.787,1080 18.981,1081 8.9,1082 13.687,1083 1,1084 17.087,1085 2.275,1086 10.866,1087 13.113,1088 10.696,1089 21.695,1090 10.121,1091 3.703,1092 0.579,1093 19.047,1094 1.872,1095 12.037,1096 14.505,1097 10.356,1098 24.334,1099 11.116,1100 2.876,1101 14.877,1102 21.028,1103 1.46,1104 13.314,1105 16.062,1106 13.161,1107 27.034,1108 12.279,1109 2.804,1110 9.859,1111 23.026,1112 4.813,1113 14.556,1114 17.536,1115 12.955,1116 29.713,1117 13.356,1118 2.781,1119 8.937,1120 25.037,1121 3.977,1122 15.837,1123 19.082,1124 15.64,1125 32.411,1126 14.506,1127 2.429,1128 8.712,1129 27.059,1130 3.902,1131 17.112,1132 20.597,1133 15.563,1134 35.103,1135 15.625,1136 2.409,1137 7.926,1138 29.091,1139 3.705,1140 18.402,1141 22.145,1142 18.126,1143 37.802,1144 16.777,1145 2.166,1146 7.035,1147 31.13,1148 3.228,1149 19.692,1150 23.684,1151 18.171,1152 40.499,1153 17.92,1154 16165,1155 30560,1156 24.967,1157 39.909,1158 59.59,1159 63.416,1160 62.695,1161 58.99,1162 58.887,1163 79.497,1164 18.948,1165 179.427,1166 55.774,1167 5.97,1168 7.432,1169 7.678,1170 5.729,1171 5.703,1172 7.813,1173 6.924,1174 23.503,1175 5.264,1176 22.597,1177 1.528,1178 1.626,1179 1.608,1180 1.513,1181 1.51,1182 2.038,1183 0.486,1184 4.601,1185 1.43,1186 4.173,1187 4.157,1188 4.766,1189 4.156,1190 7.815,1191 4.078,1192 3.939,1193 3.957,1194 3.933,1195 3.841,1196 7.715,1197 3.846,1198 3.891,1199 3.911,1200 3.871,1201 3.804,1202 7.426,1203 3.806,1204 3.839,1205 3.825,1206 3.839,1207 3.76,1208 6.999,1209 3.722,1210 3.467,1211 3.532,1212 3.448,1213 3.26,1214 6.999,1215 3.25,1216 3.463,1217 3.485,1218 3.358,1219 3.104,1220 6.47,1221 3.159,1222 3.271,1223 3.322,1224 3.24,1225 3.017,1226 4.857,1227 3.048,1228 3.18,1229 3.16,1230 3.088,1231 2.943,1232 4.777,1233 2.948,1234 0.13,1235 0.139,1236 0.203,1237 0.118,1238 0.095,1239 5.053,1240 0.123,1241 5.432,1242 0.091,1243 7.908,1244 0.381,1245 4.586,1246 0.084,1247 3.703,1248 4.813,1249 3.533,1250 14.877,1251 3.264,1252 1.976,1253 1.979,1254 2.032,1255 2.098,1256 1.276,1257 2.084,1258 1.917,1259 1.901,1260 1.992,1261 2.009,1262 1.115,1263 2.01,1264 1.865,1265 1.843,1266 1.97,1267 1.986,1268 1.061,1269 1.977,1270 1.663,1271 1.703,1272 1.785,1273 1.785,1274 0.926,1275 1.807,1276 1.468,1277 1.406,1278 1.588,1279 1.716,1280 0.893,1281 1.733,1282 1.35,1283 1.317,1284 1.49,1285 1.64,1286 0.604,1287 1.584,1288 1.191,1289 1.132,1290 1.411,1291 1.509,1292 0.557,1293 1.521,1294 1.151,1295 1.113,1296 1.261,1297 1.478,1298 0.218,1299 1.446,1300 4.369,1302 5.727,1303 2.398,1304 7.286,1305 5.043,1306 8.937,1307 7.38,1308 10.641,1310 3.16,1314 9.859,1315 0.426,1318 10.513,1320 -1.534,1321 1.091,1326 39.216,1327 99.559,1328 217.405,1329 276.69,1330 310.743,1331 316.253,1332 316.253,1333 117.154,1334 7.968,1335 138.96,1336 147.34,1337 23,1338 13.099,1339 4.644,1340 4,1341 61.509,1342 143,1343 187,1344 0.207,1345 242.566,1346 438.07,1347 583.621,1348 28076,1350 26.035,1351 0.723,1352 0.559,1353 26.285,1354 20.137,1355 17.166,1356 0.44,1357 0.317,1358 10.741,1359 15.553,1360 10.366,1361 8.58,1362 17.955,1363 12.35,1364 15.951,1365 0.28,1366 0.171,1367 17.214,1368 9.768,1369 13.393,1370 0.172,1371 0.097,1372 14.704,1373 7.535,1374 11.302,1375 0.107,1376 0.055,1377 12.827,1378 5.81,1379 9.363,1380 0.067,1381 0.03,1382 10.759,1383 4.185,1384 0.316,1385 117.461,1386 0.2,1387 32.215,1388 0.603,1389 192,1390 710.449,1391 256.194,1392 687.222,1393 908.62,1394 630,1395 231,1396 630.315,1397 307.021,1398 662.08,1399 969.36,1400 618,1401 5.07}
{0 CHEMBL1549929,1 1.557,2 10,3 1.673,4 2.799,5 92.167,6 7.209,7 0.172,8 4.022,9 4.132,10 3.552,11 3.516,12 5.077,13 3.504,14 4.651,15 4.81,16 4.015,17 4.017,18 5.709,19 3.98,20 5.032,21 5.22,22 4.06,23 4.212,24 6.096,25 4.122,26 5.154,27 5.416,28 3.945,29 4.045,30 6.249,31 3.954,32 4.79,33 4.992,34 3.75,35 3.726,36 6.183,37 3.677,38 4.656,39 4.904,40 3.542,41 3.577,42 5.773,43 3.522,44 4.431,45 4.606,46 3.468,47 3.452,48 5.777,49 3.43,50 4.423,51 4.671,52 3.481,53 3.4,54 5.646,55 3.364,56 0.081,57 0.718,58 10.973,59 4.915,60 15.808,61 6.367,62 0.399,63 1.239,64 22.314,65 8.917,66 51.061,67 11.995,68 0.656,69 1.602,70 34.528,71 12.788,72 92.692,73 17.262,74 0.924,75 1.508,76 43.423,77 12.455,78 155.998,79 18.076,80 1.088,81 1.061,82 29.754,83 8.12,84 164.237,85 11.178,86 0.647,87 0.915,88 26.477,89 7.233,90 85.389,91 10.258,92 0.56,93 0.798,94 19.978,95 5.423,96 107.182,97 7.305,98 0.559,99 0.765,100 20.645,101 5.658,102 74.444,103 8.329,104 26,105 45,106 0.265,107 0.588,108 0.758,109 0.843,110 0.843,111 0.843,112 3.304,113 0.945,114 -2.58,115 -2.6,116 -2.54,120 38,122 6,123 2,124 1,125 1,126 1,131 1,143 2,152 1,153 1,159 3,174 10,176 1,177 4,180 2,182 3,185 15,188 2,189 7,192 2,194 4,197 9,200 1,201 5,206 4,209 3,213 3,214 8,217 3,219 1,226 1,227 5,232 3,239 1,240 4,245 2,251 1,252 8,255 1,256 1,257 3,260 1,264 6,271 4,274 916,275 16.903,276 16.903,277 16.903,278 16.903,279 16.903,280 15.866,281 17.502,282 9.464,283 17.146,284 14.302,285 14.302,286 14.302,287 14.302,288 14.302,289 12.615,290 20.492,291 4.491,292 14.649,293 4.087,294 2.195,295 1.195,296 0.695,297 0.695,298 0.695,299 3.992,305 1,306 1,307 1,308 576,309 4.472,312 82.843,313 299.628,315 299.628,320 1.462,321 44.374,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 58,333 260,334 4.684,335 4.109,336 7.711,337 4.641,338 3.651,339 3.954,340 2.467,341 14.389,342 3.613,343 4.338,344 3.723,345 6.931,346 4.049,347 3.077,348 3.754,349 1.993,350 11.602,351 2.978,352 4.123,353 3.496,354 6.401,355 3.949,356 2.981,357 3.174,358 1.011,359 9.683,360 2.885,361 3.695,362 3.41,363 5.476,364 3.377,365 2.395,366 2.914,367 0.413,368 7.237,369 2.341,370 3.378,371 2.716,372 5.202,373 3.324,374 2.331,375 2.42,377 6.436,378 2.306,379 3.244,380 2.594,381 5.115,382 3,383 2,384 2.362,386 6.15,387 2,388 3,389 2.274,390 4.847,391 2.838,392 1.854,393 2,395 4.943,396 1.809,397 2.882,398 2,399 4.632,400 2.544,401 1.557,402 1.859,404 4.324,405 1.503,406 2.562,407 1.713,408 3.698,409 2.11,410 1.137,411 1.587,413 2.577,414 1.103,415 2.27,416 1.259,417 3.655,418 1.763,419 0.777,420 1.102,422 1.966,423 0.759,424 1.707,425 1.043,426 3.618,427 1.33,428 0.363,429 0.44,431 0.812,432 0.341,433 1,434 0.808,435 3.387,436 1,442 1,443 0.337,444 3.139,445 1,451 1,453 2.746,454 0.54,455 -0.494,456 -0.502,458 -1.186,459 -0.454,460 0.619,462 2.74,463 0.424,464 -0.505,465 -0.612,467 -1.492,468 -0.495,469 11.967,470 0.46,471 0.973,472 0.037,473 25.75,474 0.99,475 8.5,476 0.327,477 17.25,478 0.663,479 27.513,480 1.058,481 30.033,482 0.601,483 19.45,484 0.748,485 4.452,486 0.171,487 7.833,488 0.301,489 0.153,490 0.084,491 0.284,496 0.727,497 1.383,498 0.797,499 1.197,500 0.598,501 1.037,502 0.61,503 1.122,504 0.807,505 1.07,506 0.492,507 0.993,508 0.849,509 1.229,510 1.136,511 1.342,512 0.892,513 1.316,514 1.09,515 0.922,516 0.87,517 0.903,518 0.996,519 0.851,520 1.314,521 0.948,522 1.164,523 0.986,524 1.363,525 1.035,526 1.366,527 0.753,528 0.909,529 0.711,530 1.279,531 0.711,532 1.697,533 1.174,534 1.354,535 1.109,536 1.777,537 1.139,538 0.972,539 0.784,540 0.683,541 0.677,542 0.933,543 0.623,544 9,545 0.143,546 3.556,547 3,548 1.637,549 0.934,550 0.374,551 0.395,552 0.301,553 0.233,554 8436,555 21322,556 2.059,557 48,558 8,559 7,560 1,562 2,564 6,567 1.687,568 1.88,569 3.26,570 0.289,571 1,572 1,575 77.833,576 1.557,577 3.449,578 4.448,579 4.949,580 4.949,581 4.949,582 2.609,583 4.316,584 4.679,585 3.501,586 1137.78,587 8.08,588 14415.1,590 1,592 1,593 282.193,594 1.767,595 4.594,596 0.31,597 0.006,598 0.079,599 0.071,600 0.045,601 0.033,602 0.015,603 0.018,604 0.013,605 0.011,606 0.602,607 0.33,608 1,609 0.638,610 127.567,611 -0.061,612 -0.091,613 0.041,614 0.005,615 -0.032,616 0.04,617 0.116,618 0.062,619 0.076,620 0.05,621 0.095,622 0.053,623 0.02,624 -0.172,625 -0.21,626 -0.281,627 -0.041,628 -0.299,629 -0.023,630 -0.067,631 0.156,632 0.017,633 0.024,634 0.112,635 0.114,636 -0.019,637 -0.103,638 -0.07,639 0.073,640 -0.127,641 -0.133,642 0.114,643 0.145,644 0.192,645 -0.1,646 0.224,647 -0.25,648 -0.156,649 -0.309,650 -0.176,651 -0.178,652 -0.241,653 0.139,654 0.132,655 0.352,656 0.231,657 0.118,658 0.321,659 2.312,660 5.71,661 0.577,662 20.036,663 1.011,664 1.132,665 1.352,666 1.829,667 0.633,668 3.401,669 3.829,670 4.094,671 4.443,672 4.635,673 4.804,674 4.852,675 4.883,676 4.522,677 4.511,678 6.384,679 0.608,680 360.45,681 3.401,682 5.004,683 5.878,684 6.817,685 7.708,686 8.653,687 9.552,688 10.503,689 11.408,690 12.364,691 4,698 1,699 1,709 3,714 1,715 1,716 5,738 50,739 8,741 29,743 53,744 19,745 4,748 1,752 4,753 8,760 1,762 1,763 6,764 3,766 6,768 7,769 12,770 3,772 3,778 3,782 3,785 1,786 1,789 24,790 6,791 2,792 7,797 2,800 1,803 0.5,804 5,807 1,818 1,822 1,823 4,825 3,841 1,853 1,855 2,859 1,862 26,868 1,869 7,871 1,872 1,874 2,876 2,886 10,887 1,889 3,891 1,893 13.833,894 8.983,895 5.389,896 3.047,898 0.715,899 1.097,900 0.903,901 4.237,902 8.087,903 3.57,904 4.099,905 4.493,906 4.926,907 5.053,908 5.2,909 5.255,910 5.253,911 5.05,912 5.027,913 1,914 42,915 9.839,917 4.577,918 8.013,919 18.579,921 16.719,924 2.513,925 65.333,929 258.964,930 75.553,931 19.91,933 129.118,936 75.553,937 388.082,938 19.91,939 8.396,940 37.81,941 70.683,942 92.035,943 12.899,944 14.528,945 247.193,947 258.964,948 95.463,949 129.118,952 188.338,953 157.061,954 42.683,956 39.709,957 55.754,960 258.964,961 149.028,962 75.553,965 258.964,966 39.157,967 38.295,968 18.011,969 129.118,970 258.964,971 149.028,972 75.553,973 0.609,974 0.352,975 0.191,976 0.095,977 25,978 11,979 0.094,980 5,981 6,982 1.533,983 3.749,984 226.702,985 0.8,986 11,987 109.457,993 17.749,994 6.207,995 3.243,997 147.129,998 5.013,1003 0.355,1004 1.602,1005 60.694,1006 483.545,1007 34.5,1013 36.715,1017 -1.581,1020 50.56,1021 56.611,1022 0.276,1023 0.611,1024 0.788,1025 0.877,1026 0.877,1027 0.877,1028 4.907,1029 1.557,1030 5.964,1031 4.943,1032 4.511,1033 4.783,1034 3.005,1035 6.909,1036 4.468,1037 6.135,1038 1.137,1039 7.615,1040 4.324,1041 4.511,1042 4.82,1043 2.591,1044 8.357,1045 4.453,1046 7.489,1047 0.777,1048 9.381,1049 2.577,1050 6.319,1051 6.826,1052 4.293,1053 11.424,1054 6.238,1055 8.867,1056 0.363,1057 11.216,1058 1.966,1059 7.066,1060 7.611,1061 4.554,1062 13.661,1063 6.97,1064 10.278,1066 13.099,1067 0.812,1068 8.47,1069 9.186,1070 5.828,1071 16.389,1072 8.358,1073 11.709,1075 15.015,1077 9.524,1078 10.29,1079 6.392,1080 18.898,1081 9.4,1082 13.158,1083 -0.494,1084 16.955,1086 10.812,1087 11.718,1088 7.478,1089 21.552,1090 10.677,1091 3.651,1092 -0.505,1093 18.914,1094 -1.186,1095 11.991,1096 12.959,1097 8.193,1098 24.152,1099 11.847,1100 3.077,1101 14.389,1102 20.888,1103 -1.492,1104 13.254,1105 14.337,1106 9.188,1107 26.797,1108 13.1,1109 2.981,1110 11.602,1111 22.872,1112 3.954,1113 14.486,1114 15.638,1115 9.986,1116 29.431,1117 14.325,1118 2.395,1119 9.683,1120 24.865,1121 3.754,1122 15.748,1123 16.999,1124 10.935,1125 32.08,1126 15.58,1127 2.331,1128 7.237,1129 26.866,1130 3.174,1131 17.005,1132 18.329,1133 11.777,1134 34.728,1135 16.83,1136 2,1137 6.436,1138 28.872,1139 2.914,1140 18.275,1141 19.685,1142 12.703,1143 37.383,1144 18.093,1145 1.854,1146 6.15,1147 30.883,1148 2.42,1149 19.545,1150 21.029,1151 13.571,1152 40.038,1153 19.356,1154 7952,1155 12756,1156 18.781,1157 31.659,1158 45.592,1159 48.077,1160 46.931,1161 44.295,1162 44.245,1163 51.13,1164 11.768,1165 140.24,1166 43.273,1167 5.684,1168 6.109,1169 7.218,1170 5.717,1171 5.651,1172 6.611,1173 4.29,1174 22.095,1175 5.613,1176 14.271,1177 1.572,1178 1.658,1179 1.618,1180 1.527,1181 1.526,1182 1.763,1183 0.406,1184 4.836,1185 1.492,1186 4.089,1187 4.123,1188 4,1189 3.997,1190 7.448,1191 3.992,1192 3.98,1193 4.027,1194 3.928,1195 3.829,1196 7.43,1197 3.848,1198 3.63,1199 3.652,1200 3.566,1201 3.37,1202 7.411,1203 3.413,1204 3.398,1205 3.42,1206 3.337,1207 3.202,1208 6.446,1209 3.222,1210 3.265,1211 3.319,1212 3.115,1213 3.098,1214 4.763,1215 3.092,1216 3.228,1217 3.304,1218 3.039,1219 3.096,1220 4.432,1221 3.073,1222 3.125,1223 3.193,1224 3.026,1225 2.869,1226 4.282,1227 2.895,1228 3.057,1229 3.125,1230 2.817,1231 2.839,1232 3.784,1233 2.826,1234 0.162,1235 0.142,1236 0.266,1237 0.16,1238 0.126,1239 4.684,1240 0.136,1241 4.109,1242 0.085,1243 7.711,1244 0.496,1245 4.641,1246 0.125,1247 3.651,1248 3.954,1249 2.467,1250 14.389,1251 3.613,1252 2.062,1253 2.029,1254 2.219,1255 2.176,1256 1.684,1257 2.191,1258 1.653,1259 1.614,1260 1.794,1261 1.903,1262 0.947,1263 1.867,1264 1.516,1265 1.46,1266 1.7,1267 1.761,1268 0.94,1269 1.737,1270 1.446,1271 1.423,1272 1.625,1273 1.625,1274 0.88,1275 1.625,1276 1.301,1277 1.259,1278 1.562,1279 1.505,1280 0.866,1281 1.506,1282 1.262,1283 1.196,1284 1.535,1285 1.466,1286 0.755,1287 1.489,1288 1.251,1289 1.192,1290 1.514,1291 1.445,1292 0.7,1293 1.485,1294 0.968,1295 0.9,1296 1.275,1297 1.276,1298 0.325,1299 1.279,1300 4.078,1302 5.476,1303 2.398,1304 7.074,1305 4.595,1306 8.784,1307 6.555,1308 10.56,1310 1.706,1314 10.711,1315 4.015,1317 2.234,1318 5.261,1320 0.725,1322 -1.422,1326 30.412,1327 77.833,1328 172.463,1329 222.418,1330 247.438,1331 247.438,1332 247.438,1333 70.131,1334 7.371,1335 97.63,1336 97.63,1337 23,1338 12.859,1339 3.17,1340 2.7,1341 38.304,1342 102,1343 81,1344 0.185,1345 182.384,1346 329.67,1347 436.777,1348 15166,1350 18.527,1351 0.713,1352 0.572,1353 18.527,1354 14.864,1355 12.285,1356 0.424,1357 0.315,1358 8.999,1359 11.731,1360 8.776,1361 7.176,1362 12.285,1363 9.138,1364 12.503,1365 0.278,1366 0.187,1367 12.503,1368 8.423,1369 9.97,1370 0.169,1371 0.106,1372 9.97,1373 6.227,1374 9.162,1375 0.109,1376 0.067,1377 9.162,1378 5.661,1379 6.611,1380 0.065,1381 0.04,1382 6.611,1383 4.055,1384 0.293,1385 77.918,1386 0.231,1387 25.126,1388 0.499,1389 148,1390 441.07,1391 165.2,1392 411.89,1393 539.91,1394 380,1395 178,1396 378.464,1397 195.037,1398 380.268,1399 558.1,1400 354,1401 6.429}
{0 CHEMBL1549996,1 1.59,2 11.179,3 5.55,4 30.804,5 118.476,6 8.999,7 0.742,8 3.91,9 4.011,10 3.695,11 3.605,12 5.072,13 3.55,14 4.362,15 4.492,16 4.044,17 3.956,18 5.472,19 3.879,20 4.558,21 4.739,22 4.067,23 4.035,24 5.581,25 3.922,26 4.559,27 4.766,28 4,29 3.967,30 5.583,31 3.86,32 4.529,33 4.719,34 4.075,35 4,36 5.581,37 3.884,38 4.509,39 4.684,40 4.024,41 4.02,42 5.526,43 3.874,44 4.519,45 4.716,46 4.039,47 3.957,48 5.554,49 3.809,50 4.467,51 4.7,52 3.715,53 3.805,54 5.443,55 3.682,56 0.026,57 0.623,58 6.514,59 3.591,60 7.245,61 4.439,62 0.107,63 1.023,64 14.565,65 6.229,66 11.691,67 7.354,68 0.113,69 1.19,70 22.109,71 8.479,72 20.07,73 10.275,74 0.233,75 1.271,76 22.959,77 8.171,78 25.795,79 9.501,80 0.22,81 1.267,82 20.97,83 8.006,84 23.533,85 8.797,86 0.156,87 1.212,88 24.532,89 8.98,90 19.22,91 9.529,92 0.2,93 1.115,94 26.648,95 9.021,96 26.424,97 10.603,98 0.145,99 1.07,100 21.368,101 8.009,102 24.427,103 10.055,104 2,105 41,106 0.269,107 0.535,108 0.719,109 0.84,110 0.86,111 0.86,112 3.375,113 0.981,114 -6.87,115 -6.68,116 -6.18,120 48.9,126 1,136 2,143 11,144 2,145 2,146 2,162 1,163 1,167 1,174 12,176 2,177 8,185 15,189 7,197 12,200 2,201 9,209 9,213 1,214 9,222 10,227 6,235 10,240 9,247 11,252 7,260 8,264 6,271 12,274 1470,275 19.535,276 19.535,277 19.535,278 19.535,279 19.535,280 16.578,281 10.375,282 12.019,283 20.11,284 15.358,285 15.358,286 15.358,287 15.358,288 15.358,289 11.087,290 6.297,291 5.761,292 16.368,293 3.902,294 2.326,295 1.235,296 0.522,297 0.4,298 0.4,299 4.077,303 1,306 1,307 1,308 684,309 2.739,312 81.777,313 283.695,320 1.607,321 13.025,324 0.75,325 0.83,326 0.83,327 0.5,329 0.83,330 1,331 0.68,332 58.333,333 313,334 4.589,335 4.455,336 6.906,337 4.157,338 3.234,339 4.314,340 3.272,341 11.611,342 2.995,343 3.982,344 3.244,345 5.87,346 3.547,347 2.584,348 3.575,350 8.096,351 2.52,352 3.943,353 2.912,354 5.341,355 3.521,356 2.523,357 3.508,359 6.966,360 2.485,361 3.788,362 2.699,363 5.302,364 3.294,365 2.393,366 3.31,368 6.638,369 2.124,370 3.33,371 2.507,372 4.931,373 2.87,374 1.995,375 2.612,377 5.654,378 1.687,379 3.166,380 2.42,381 4.504,382 2.678,383 1.748,384 2.395,386 4.352,387 1.617,388 3.076,389 1.825,390 3.811,391 2.565,392 1.586,393 2.271,395 3.325,396 1.539,397 2.699,398 1.546,399 3.707,400 2.271,401 1.32,402 1.734,404 2.856,405 1.24,406 2.539,407 1.275,408 3.515,409 2.001,410 1.052,411 1.515,413 2.516,414 1,415 2.5,416 1.024,417 3.433,418 2,419 1,420 1.5,422 2.337,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 0.99,433 2.5,434 1,435 3.247,436 1.954,437 1,438 1.5,440 2.136,441 0.951,442 2.358,443 1,444 3.247,445 1.833,446 0.891,447 1.293,449 2.136,450 0.824,451 1.792,452 0.997,453 2.911,454 1.3,455 0.409,456 0.54,458 0.944,459 0.355,460 1.176,461 0.479,462 2.561,463 0.768,464 -0.118,465 -0.145,467 -0.266,468 -0.088,469 14.148,470 0.505,471 0.448,472 0.016,473 41.5,474 1.482,475 24,476 0.857,477 17.5,478 0.625,479 19.652,480 0.702,481 27.252,482 0.606,483 28.441,484 1.016,485 8.221,486 0.294,487 5.588,488 0.2,489 0.05,491 0.24,496 0.619,497 1.046,498 0.602,499 0.802,500 0.637,501 0.792,502 0.733,503 1.203,504 0.894,505 1.121,506 0.778,507 0.997,508 0.985,509 1.181,510 0.984,511 1.058,512 0.899,513 1.003,514 1.249,515 0.967,516 0.975,517 0.882,518 1.004,519 0.882,520 1.092,521 1.037,522 0.959,523 0.98,524 0.932,525 0.907,526 1.111,527 1.138,528 1.339,529 1.323,530 1.023,531 1.084,532 0.735,533 1.103,534 0.969,535 1.137,536 0.829,537 1.072,538 1.001,539 0.959,540 0.83,541 0.869,542 0.935,543 0.919,544 3.5,545 0.074,546 2.444,547 1.375,548 1.269,549 0.601,550 0.384,551 0.313,552 0.239,553 0.181,554 10376,555 29649,556 2.159,557 37.8,559 15,561 2,567 1.713,568 2.1,569 3.445,570 -0.778,575 71.539,576 1.59,577 3.166,578 4.257,579 4.969,580 5.092,581 5.092,582 2.856,583 4.307,584 4.773,585 3.623,586 1369.48,587 8.319,588 18459.5,593 247.133,594 1.018,595 4.772,596 0.113,597 0.003,598 0.06,599 0.034,600 0.033,601 0.015,602 0.011,603 0.009,604 0.008,605 0.007,606 0.294,607 0.17,608 0.88,609 0.343,610 141.173,611 0.102,612 -0.043,613 0.044,614 0.004,615 0.015,616 0.003,617 0.13,618 -0.167,619 -0.054,620 -0.196,621 -0.039,622 -0.147,623 -0.028,624 -0.194,625 -0.008,626 -0.077,627 -0.015,628 -0.051,629 -0.087,630 0.122,631 -0.024,632 0.088,633 -0.03,634 0.052,635 -0.046,636 0.099,637 -0.004,638 0.067,639 -0.014,640 0.01,641 -0.179,642 -0.053,643 -0.177,644 -0.134,645 -0.145,646 -0.116,647 0.206,648 -0.13,649 0.111,650 -0.074,651 0.157,652 -0.065,653 -0.049,654 0.006,655 0.052,656 0.07,657 0.042,658 0.095,659 0.972,660 1.954,661 0.821,662 29.321,663 1,664 1.106,665 5.638,666 31.789,667 0.752,668 3.466,669 3.738,670 4.007,671 4.277,672 4.489,673 4.5,674 4.635,675 4.736,676 4.779,677 4.787,678 6.746,679 0.706,680 404.95,681 3.466,682 4.977,683 5.814,684 6.673,685 7.533,686 8.405,687 9.277,688 10.157,689 11.037,690 11.923,691 8.9,699 1,701 3,709 13,710 3,714 6,715 1,716 23,737 1,738 45,739 24,740 2,741 31,743 48,744 22,745 19,746 3,747 9,748 2,752 4,753 4,754 1,768 21,769 1,772 1,780 2,789 17,790 3,792 6,793 2,797 4,803 1,816 1,822 1,823 3,845 2,855 4,856 1,857 1,860 1,862 28,869 1,873 1,883 1,885 1,893 13.333,894 8.11,895 6.278,896 2.563,898 3.719,899 1.506,900 1.016,901 5.981,902 11.069,903 3.795,904 4.379,905 4.978,906 5.57,907 6.079,908 6.279,909 6.711,910 7.1,911 7.431,912 7.71,913 1,914 40,915 10.251,917 4.243,918 7.587,919 19.742,921 15.851,924 2.087,925 58.444,929 200.109,930 190.055,931 52.011,932 39.149,935 32.22,936 157.835,937 239.257,938 52.011,940 0.9,941 123.191,942 75.982,943 33.316,945 208.786,946 39.149,947 200.109,948 209.846,950 71.368,952 200.109,956 23.915,957 116.867,958 108.213,959 32.22,960 200.109,961 52.011,962 229.203,965 200.109,966 48.769,967 143.185,969 89.26,970 200.109,971 52.011,972 229.203,973 0.563,974 0.326,975 0.183,976 0.103,977 19,978 7,979 0.125,980 6,982 1,983 4.115,984 238.51,986 23,987 124.606,989 1,993 18.64,994 8.984,995 4.594,997 50.112,998 25.326,999 13.042,1003 5.321,1004 2.036,1006 481.323,1007 43.5,1015 4.239,1020 44.993,1021 49.764,1022 0.289,1023 0.577,1024 0.775,1025 0.905,1026 0.927,1027 0.927,1028 4.982,1029 1.32,1030 5.753,1031 3.325,1032 4.419,1033 5.066,1034 3.11,1035 6.521,1036 4.299,1037 6.169,1038 1.052,1039 7.272,1040 2.856,1041 3.761,1042 4.559,1044 7.372,1045 3.51,1046 7.446,1047 1,1048 8.9,1049 2.516,1050 5.948,1051 7.228,1052 5.44,1053 10.523,1054 5.714,1055 8.765,1056 1,1057 10.602,1058 2.337,1059 6.217,1060 7.643,1062 12.35,1063 5.852,1064 10.121,1065 1,1066 12.354,1067 2.275,1068 7.79,1069 9.671,1070 7.807,1071 15.01,1072 7.433,1073 11.504,1074 0.891,1075 14.144,1076 2.136,1077 8.514,1078 10.553,1080 17.223,1081 8.032,1082 12.909,1083 0.409,1084 15.963,1085 2.136,1086 9.83,1087 12.281,1088 10.177,1089 19.738,1090 9.33,1091 3.234,1092 -0.118,1093 17.804,1094 0.944,1095 10.784,1096 13.419,1098 22.1,1099 10.167,1100 2.584,1101 11.611,1102 19.662,1103 -0.266,1104 11.996,1105 15,1106 12.548,1107 24.57,1108 11.336,1109 2.523,1110 8.096,1111 21.533,1112 4.314,1113 13.062,1114 16.281,1116 26.988,1117 12.295,1118 2.393,1119 6.966,1120 23.416,1121 3.575,1122 14.238,1123 17.79,1124 14.919,1125 29.445,1126 13.41,1127 1.995,1128 6.638,1129 25.308,1130 3.508,1131 15.357,1132 19.151,1134 31.884,1135 14.431,1136 1.748,1137 5.654,1138 27.208,1139 3.31,1140 16.523,1141 20.628,1142 17.29,1143 34.337,1144 15.525,1145 1.586,1146 4.352,1147 29.113,1148 2.612,1149 17.669,1150 22.033,1152 36.784,1153 16.579,1154 9771,1155 16698,1156 21.553,1157 33.858,1158 46.232,1159 48.501,1160 46.214,1161 45.698,1162 45.468,1163 63.134,1164 6.545,1165 123.682,1166 42.654,1167 5.39,1168 6.455,1169 6.708,1170 5.291,1171 5.234,1172 7.314,1173 6.545,1174 18.813,1175 4.995,1176 7.108,1177 1.491,1178 1.565,1179 1.491,1180 1.474,1181 1.467,1182 2.037,1183 0.211,1184 3.99,1185 1.376,1186 4.051,1187 4.093,1188 4.13,1189 3.94,1190 5.107,1191 3.944,1192 3.914,1193 3.944,1194 3.93,1195 3.86,1196 4.915,1197 3.853,1198 3.828,1199 3.861,1200 3.842,1201 3.751,1202 4.825,1203 3.75,1204 3.629,1205 3.676,1206 3.757,1207 3.541,1208 4.782,1209 3.501,1210 3.457,1211 3.51,1212 3.473,1213 3.322,1214 4.289,1215 3.33,1216 2.919,1217 2.968,1218 3.217,1219 2.887,1220 4.258,1221 2.819,1222 2.854,1223 2.925,1224 3.047,1225 2.752,1226 3.822,1227 2.735,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.148,1235 0.144,1236 0.223,1237 0.134,1238 0.104,1239 4.589,1240 0.139,1241 4.455,1242 0.106,1243 6.906,1244 0.375,1245 4.157,1246 0.097,1247 3.234,1248 4.314,1249 3.272,1250 11.611,1251 2.995,1252 1.926,1253 1.899,1254 2.042,1255 2.027,1256 1.132,1257 2.025,1258 1.915,1259 1.888,1260 1.996,1261 1.992,1262 1.106,1263 2.01,1264 1.813,1265 1.78,1266 1.919,1267 1.921,1268 0.963,1269 1.926,1270 1.533,1271 1.498,1272 1.694,1273 1.639,1274 0.895,1275 1.684,1276 1.27,1277 1.229,1278 1.319,1279 1.447,1280 0.488,1281 1.428,1282 1.086,1283 1.033,1284 1.185,1285 1.356,1286 0.333,1287 1.301,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.143,1302 5.425,1303 2.398,1304 6.907,1305 4.727,1306 8.479,1307 6.843,1308 10.1,1311 6.065,1315 0.785,1319 1.63,1326 31.788,1327 71.539,1328 142.476,1329 191.57,1330 223.624,1331 229.133,1332 229.133,1333 33.773,1334 7.351,1335 43.6,1336 68.9,1337 23,1338 12.456,1339 4.644,1340 3.755,1341 42.311,1342 106,1343 129,1344 0.182,1345 203.741,1346 342.16,1347 488.887,1348 15087,1349 2.2,1350 19.184,1351 0.685,1352 0.59,1353 20.037,1354 16.515,1355 13.81,1356 0.445,1357 0.327,1358 8.821,1359 12.753,1360 8.499,1361 7.073,1362 14.552,1363 10.136,1364 11.785,1365 0.287,1366 0.181,1367 12.777,1368 7.407,1369 9.932,1370 0.184,1371 0.096,1372 10.871,1373 5.19,1374 8.311,1375 0.117,1376 0.051,1377 9.164,1378 3.626,1379 6.834,1380 0.078,1381 0.03,1382 7.801,1383 2.606,1384 0.286,1385 92.483,1386 0.215,1387 26.942,1388 0.501,1389 144,1390 395.644,1391 190.935,1392 447.113,1393 613.04,1394 420,1395 167,1396 425.72,1397 204.874,1398 456.857,1399 664.36,1400 430,1401 4.336}
{0 CHEMBL1553738,1 1.697,2 11.516,3 3.931,4 15.451,5 122.543,6 8.739,7 0.364,8 4.111,9 4.232,10 3.801,11 3.655,12 5.262,13 3.624,14 4.655,15 4.82,16 4.196,17 4.067,18 5.877,19 4.003,20 5.001,21 5.216,22 4.312,23 4.27,24 6.037,25 4.18,26 5.096,27 5.324,28 4.23,29 4.257,30 6.199,31 4.162,32 5.067,33 5.297,34 4.245,35 4.211,36 6.221,37 4.149,38 5.057,39 5.249,40 4.378,41 4.179,42 6.44,43 4.138,44 4.996,45 5.197,46 4.159,47 4.099,48 6.279,49 4.045,50 4.88,51 5.083,52 4.187,53 3.994,54 6.438,55 3.921,56 0.168,57 0.815,58 9.57,59 5.033,60 15.68,61 6.469,62 0.361,63 1.295,64 20.342,65 8.96,66 66.287,67 11.746,68 0.489,69 1.698,70 40.627,71 12.691,72 73.985,73 16.673,74 0.702,75 1.781,76 44.04,77 13.349,78 86.13,79 17.927,80 0.605,81 1.695,82 37.395,83 12.538,84 95.208,85 16.781,86 0.998,87 1.638,88 38.869,89 11.625,90 166.733,91 14.738,92 0.819,93 1.512,94 37.278,95 11.386,96 127.147,97 14.146,98 1.1,99 1.346,100 35.485,101 10.257,102 212.178,103 13.127,104 42,105 45,106 0.279,107 0.606,108 0.756,109 0.825,110 0.825,111 0.825,112 3.472,113 1.002,114 -4.67,115 -4.59,116 -4.32,118 1,120 39.3,122 5,126 2,128 1,143 7,144 2,145 3,159 2,164 1,165 1,166 1,167 2,174 10,176 1,177 6,179 1,180 2,182 4,185 11,187 1,188 1,189 10,194 4,197 8,200 2,201 11,204 1,205 1,206 4,208 1,209 6,211 1,214 9,217 1,219 2,222 12,224 2,226 1,227 13,229 1,230 4,232 3,235 15,237 2,239 2,240 7,242 1,243 1,245 2,247 8,249 2,251 6,252 7,254 3,255 3,257 4,260 6,262 2,264 8,269 2,271 4,274 1700,275 20.482,276 20.482,277 20.482,278 20.482,279 20.482,280 18.428,281 24.86,282 12.253,283 20.811,284 16.287,285 16.287,286 16.287,287 16.287,288 16.287,289 13.154,290 32.324,291 5.836,292 16.874,293 4.111,294 2.119,295 1.208,296 0.786,297 0.786,298 0.786,299 4.152,307 1,308 747,309 4.123,313 233.281,314 130.358,320 1.694,321 44.462,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 67.75,333 357,334 4.484,335 3.817,336 6.662,337 4.099,338 3.132,339 4.182,340 2.612,341 10.697,342 3.032,343 4.198,344 3.616,345 6.204,346 3.872,347 2.888,348 3.76,349 1.886,350 9.268,351 2.839,352 3.943,353 3.513,354 5.96,355 3.666,356 2.682,357 3.311,358 1.081,359 8.386,360 2.636,361 3.711,362 3.113,363 5.574,364 3.327,365 2.379,366 3.03,367 0.8,368 7.072,369 2.255,370 3.636,371 2.956,372 5.022,373 3.156,374 2.257,375 2.954,376 0.473,377 6.015,378 2.123,379 3.491,380 2.863,381 4.755,382 3.112,383 2.092,384 2.672,386 5.284,387 1.935,388 3.039,389 2.116,390 4.418,391 2.777,392 1.786,393 2.095,395 4.266,396 1.766,397 2.849,398 1.965,399 4.292,400 2.499,401 1.534,402 1.9,404 3.985,405 1.446,406 2.616,407 1.651,408 3.82,409 2.26,410 1.283,411 1.601,413 3.088,414 1.233,415 2.53,416 1.425,417 3.65,418 2.237,419 1.247,420 1.504,422 2.618,423 1.22,424 2.5,425 1.298,426 3.59,427 2,428 1,429 1.5,431 2.606,432 1,433 2.306,434 1.214,435 3.414,436 2,437 1,438 1.247,440 2.413,441 1,442 2.247,443 1,444 3.414,445 1.986,446 0.986,447 1.23,449 2.275,450 0.963,451 1.154,452 1,453 2.733,454 0.945,455 -0.037,456 -0.041,458 -0.086,459 -0.036,460 1.116,461 0.746,462 2.58,463 0.75,464 -0.164,465 -0.188,467 -0.383,468 -0.106,469 15.267,470 0.492,471 0.826,472 0.027,473 37.75,474 1.218,475 18.5,476 0.597,477 19.25,478 0.621,479 30.128,480 0.972,481 33.933,482 0.606,483 30.903,484 0.997,485 7.014,486 0.226,487 7.832,488 0.253,489 0.201,491 0.314,496 0.518,497 1.2,498 0.523,499 0.88,500 0.534,501 0.917,502 0.502,503 1.218,504 0.587,505 0.97,506 0.372,507 1.024,508 0.806,509 1.081,510 0.822,511 0.964,512 0.675,513 0.979,514 0.84,515 1.063,516 0.68,517 0.973,518 0.795,519 1.03,520 1.014,521 0.964,522 0.356,523 0.776,524 1.011,525 0.829,526 1.319,527 1.01,528 0.528,529 0.894,530 1.466,531 0.967,532 1.495,533 1.006,534 0.615,535 0.882,536 1.66,537 0.976,538 0.991,539 0.936,540 0.763,541 0.862,542 1.027,543 0.959,544 6.5,545 0.171,546 3.556,547 1.938,548 1.791,549 1.528,550 0.827,551 0.716,552 0.416,553 0.353,554 11770,555 37280,556 1.993,557 44.6,558 4,559 12,562 3,563 2,564 4,567 1.742,568 1.842,569 3.47,570 0.908,572 1,575 95.008,576 1.697,577 3.688,578 4.599,579 5.022,580 5.022,581 5.022,582 2.934,583 4.503,584 4.924,585 3.637,586 1691.36,587 8.634,588 23932.1,593 325.212,594 1.492,595 4.869,596 0.197,597 0.006,598 0.079,599 0.039,600 0.038,601 0.031,602 0.017,603 0.017,604 0.011,605 0.011,606 0.444,607 0.17,608 0.88,609 1.033,610 160.125,611 0.094,612 0.052,613 0.003,614 0.056,615 -0.008,616 0.033,617 0.159,618 -0.08,619 0.023,620 -0.03,621 0.207,622 -0.05,623 -0.057,624 -0.039,625 -0.021,626 -0.011,627 -0.012,628 0.008,629 0.02,630 -0.055,631 -0.031,632 -0.079,633 0.004,634 -0.065,635 -0.057,636 0.02,637 0.061,638 0.06,639 -0.045,640 0.12,641 -0.017,642 -0.009,643 0.02,644 -0.044,645 -0.055,646 -0.064,647 -0.18,648 -0.033,649 -0.046,650 -0.024,651 -0.22,652 -0.064,653 0.289,654 0.047,655 0.001,656 0.035,657 0.345,658 -0.038,659 2.415,660 5.672,661 0.613,662 30.941,663 1.012,664 1.129,665 3.444,666 11.864,667 0.671,668 3.526,669 3.829,670 4.043,671 4.277,672 4.522,673 4.615,674 4.644,675 4.745,676 4.812,677 4.796,678 6.8,679 0.639,680 489.41,681 3.526,682 5.056,683 5.883,684 6.749,685 7.601,686 8.473,687 9.336,688 10.211,689 11.08,690 11.957,691 7.1,697 1,698 2,702 1,709 7,714 5,716 12,723 1,731 1,732 1,737 1,738 56,739 16,740 2,741 33,742 1,743 58,744 22,745 12,746 5,747 7,748 1,752 3,753 3,763 4,766 6,768 14,769 8,772 4,775 1,778 4,782 2,789 25,790 7,791 3,792 9,793 1,797 4,803 1,804 4,823 2,824 1,837 1,855 3,858 1,862 31,863 1,869 7,871 1,874 1,875 1,885 1,886 7.1,889 2,892 2,893 16.833,894 9.71,895 6.889,896 3.465,898 2.092,899 1.288,900 0.958,901 8.187,902 9.363,903 3.784,904 4.317,905 4.766,906 5.264,907 5.788,908 5.973,909 6.192,910 6.365,911 6.61,912 6.79,913 0.875,914 50,915 11.568,917 4.989,918 8.04,919 21.615,921 17.688,924 2.54,925 78.75,929 258.964,930 107.567,931 105.656,933 101.037,936 153.521,937 360.001,938 59.702,939 5.67,940 67.792,941 66.334,942 59.699,943 18.064,945 258.964,946 96.701,947 258.964,948 167.269,949 101.037,951 45.954,952 211.88,953 97.374,954 50.747,956 67.792,957 93.807,958 5.67,959 45.954,960 258.964,961 160.739,962 153.521,965 258.964,966 41.233,967 75.128,968 63.965,969 133.934,970 258.964,971 160.739,972 153.521,973 0.577,974 0.321,975 0.172,976 0.104,977 19,978 10,979 0.121,980 7,982 1,983 4.058,984 273.487,986 19,987 141.58,993 23.392,994 10.849,995 6.358,997 155.069,998 11.631,1003 2.236,1005 50.908,1006 573.224,1007 43,1010 -0.415,1013 47.948,1017 -1.002,1020 56.665,1021 63.24,1022 0.292,1023 0.635,1024 0.792,1025 0.865,1026 0.865,1027 0.865,1028 5.017,1029 1.534,1030 5.866,1031 4.266,1032 4.511,1033 5.004,1034 3.076,1035 6.65,1036 4.447,1037 6.206,1038 1.283,1039 7.413,1040 3.985,1041 4.111,1042 4.856,1043 2.701,1044 7.529,1045 3.984,1046 7.501,1047 1.247,1048 9.061,1049 3.088,1050 6.075,1051 7.109,1052 4.424,1053 10.61,1054 5.954,1055 8.828,1056 1,1057 10.769,1058 2.618,1059 6.463,1060 7.746,1061 4.697,1062 12.324,1063 6.291,1064 10.186,1065 1,1066 12.516,1067 2.606,1068 7.919,1069 9.522,1070 6.083,1071 14.927,1072 7.746,1073 11.565,1074 0.986,1075 14.29,1076 2.413,1077 8.679,1078 10.521,1079 6.658,1080 16.992,1081 8.466,1082 12.961,1083 -0.037,1084 16.085,1085 2.275,1086 9.925,1087 12.104,1088 7.865,1089 19.425,1090 9.701,1091 3.132,1092 -0.164,1093 17.894,1094 -0.086,1095 10.867,1096 13.288,1097 8.602,1098 21.645,1099 10.608,1100 2.888,1101 10.697,1102 19.716,1103 -0.383,1104 12.027,1105 14.783,1106 9.707,1107 24.018,1108 11.75,1109 2.682,1110 9.268,1111 21.546,1112 4.182,1113 13.058,1114 16.068,1115 10.537,1116 26.308,1117 12.748,1118 2.379,1119 8.386,1120 23.384,1121 3.76,1122 14.184,1123 17.521,1124 11.583,1125 28.664,1126 13.852,1127 2.257,1128 7.072,1129 25.228,1130 3.311,1131 15.259,1132 18.863,1133 12.467,1134 30.988,1135 14.894,1136 2.092,1137 6.015,1138 27.078,1139 3.03,1140 16.376,1141 20.297,1142 13.478,1143 33.341,1144 15.985,1145 1.786,1146 5.284,1147 28.932,1148 2.954,1149 17.474,1150 21.673,1151 14.394,1152 35.682,1153 17.049,1154 11617,1155 20889,1156 21.383,1157 37.568,1158 49.221,1159 51.465,1160 50.654,1161 48.768,1162 48.532,1163 61.973,1164 13.704,1165 135.946,1166 46.897,1167 5.411,1168 5.817,1169 6.454,1170 5.134,1171 5.132,1172 7.182,1173 4.612,1174 17.71,1175 5.032,1176 17.883,1177 1.492,1178 1.56,1179 1.535,1180 1.478,1181 1.471,1182 1.878,1183 0.415,1184 4.12,1185 1.421,1186 4.054,1187 4.087,1188 6.88,1189 3.94,1190 7.815,1191 3.946,1192 3.913,1193 3.935,1194 4.01,1195 3.862,1196 7.437,1197 3.849,1198 3.789,1199 3.849,1200 3.801,1201 3.656,1202 7.428,1203 3.644,1204 3.669,1205 3.71,1206 3.651,1207 3.444,1208 6.999,1209 3.466,1210 3.45,1211 3.482,1212 3.593,1213 3.129,1214 4.885,1215 3.151,1216 3.331,1217 3.374,1218 3.396,1219 3.125,1220 4.73,1221 3.11,1222 3.278,1223 3.364,1224 3.213,1225 3.033,1226 4.678,1227 3.097,1228 3.192,1229 3.262,1230 3.057,1231 2.99,1232 4.262,1233 3,1234 0.136,1235 0.116,1236 0.202,1237 0.124,1238 0.095,1239 4.484,1240 0.127,1241 3.817,1242 0.079,1243 6.662,1244 0.324,1245 4.099,1246 0.092,1247 3.132,1248 4.182,1249 2.612,1250 10.697,1251 3.032,1252 1.966,1253 1.939,1254 2.055,1255 2.117,1256 1.336,1257 2.089,1258 1.892,1259 1.873,1260 1.975,1261 1.978,1262 1.282,1263 1.981,1264 1.712,1265 1.647,1266 1.966,1267 1.873,1268 1.167,1269 1.912,1270 1.629,1271 1.572,1272 1.841,1273 1.841,1274 1.076,1275 1.84,1276 1.502,1277 1.444,1278 1.703,1279 1.79,1280 0.888,1281 1.749,1282 1.214,1283 1.182,1284 1.346,1285 1.608,1286 0.528,1287 1.54,1288 1.156,1289 1.132,1290 1.266,1291 1.468,1292 0.368,1293 1.427,1294 0.934,1295 0.886,1296 1.253,1297 1.176,1298 0.288,1299 1.177,1300 4.205,1302 5.509,1304 6.991,1305 2.708,1306 8.561,1307 4.977,1308 10.183,1309 3.32,1313 5.388,1315 5.591,1317 2.784,1320 -0.773,1321 2.04,1326 35.765,1327 95.008,1328 206.551,1329 257.56,1330 281.212,1331 281.212,1332 281.212,1333 91.069,1334 7.27,1335 121.25,1336 121.25,1337 19,1338 12.497,1339 4.087,1340 3.459,1341 57.885,1342 124,1343 140,1344 0.224,1345 228.351,1346 404.96,1347 548.937,1348 12991,1349 1.8,1350 22.38,1351 0.722,1352 0.601,1353 23.38,1354 18.637,1355 14.846,1356 0.45,1357 0.334,1358 10.15,1359 13.683,1360 9.934,1361 8.205,1362 15.424,1363 11.022,1364 13.519,1365 0.3,1366 0.189,1367 14.336,1368 8.526,1369 10.338,1370 0.185,1371 0.105,1372 10.915,1373 5.891,1374 8.393,1375 0.118,1376 0.057,1377 8.727,1378 4.043,1379 7.006,1380 0.077,1381 0.033,1382 7.434,1383 2.973,1384 0.348,1385 101.774,1386 0.216,1387 28.941,1388 0.627,1389 156,1390 508.532,1391 237.971,1392 523.929,1393 675.87,1394 480,1395 179,1396 455.005,1397 222.428,1398 466.179,1399 671.03,1400 437,1401 4.416}
{0 CHEMBL1555034,1 1.734,2 12.633,3 4.46,4 19.89,5 127.718,6 8.935,7 0.588,8 4.051,9 4.153,10 3.891,11 3.739,12 5.11,13 3.654,14 4.597,15 4.756,16 4.316,17 4.154,18 5.607,19 4.047,20 4.785,21 4.968,22 4.245,23 4.209,24 5.75,25 4.086,26 4.883,27 5.079,28 4.316,29 4.226,30 5.923,31 4.092,32 4.882,33 5.117,34 4.135,35 4.164,36 5.85,37 4.024,38 4.784,39 4.991,40 3.947,41 4.131,42 5.665,43 3.937,44 4.726,45 4.966,46 3.825,47 3.981,48 5.636,49 3.79,50 4.576,51 4.831,52 3.728,53 3.797,54 5.514,55 3.637,56 0.019,57 0.8,58 9.007,59 4.877,60 6.112,61 5.632,62 0.274,63 1.409,64 22.868,65 9.048,66 21.872,67 10.408,68 0.214,69 1.604,70 30.753,71 11.693,72 23.693,73 12.973,74 0.413,75 1.771,76 37.008,77 12.729,78 46.019,79 13.561,80 0.493,81 1.723,82 33.517,83 11.76,84 50.164,85 13.574,86 0.283,87 1.602,88 36.195,89 12.734,90 28.523,91 13.621,92 0.367,93 1.442,94 35.843,95 12.331,96 37.151,97 14.126,98 0.177,99 1.16,100 27.146,101 10.284,102 29.293,103 12.465,104 10,105 49,106 0.287,107 0.647,108 0.81,109 0.843,110 0.843,111 0.843,112 3.44,113 1.097,114 -5.5,115 -5.38,116 -5.02,120 41.2,121 2,122 2,123 1,126 2,143 2,144 2,147 1,148 1,149 1,152 2,153 2,159 1,162 1,163 1,174 5,176 2,177 8,180 2,182 2,185 8,189 8,194 2,197 3,200 2,201 11,209 5,213 1,214 5,217 1,219 2,222 6,227 2,232 1,235 5,239 2,240 5,243 1,245 1,247 6,252 2,257 1,260 6,263 2,264 4,267 1,269 2,271 3,274 1408,275 20.516,276 20.516,277 20.516,278 20.516,279 20.516,280 18.003,281 22.226,282 11.887,283 21.436,284 16.771,285 16.771,286 16.771,287 16.771,288 16.771,289 12.974,290 33.832,291 5.626,292 18.285,293 3.938,294 1.759,295 0.775,296 0.579,297 0.579,298 0.579,299 4.147,306 1,307 1,308 851,309 3,312 249.809,313 184.228,316 133.239,320 2.082,321 23.109,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.82,332 63.5,333 379,334 4.702,335 3.717,336 6.956,337 4.228,338 3.282,339 4.664,340 1.907,341 11.73,342 3.105,343 4.308,344 3.399,345 6.193,346 3.881,347 2.951,348 3.968,349 0.8,350 9.263,351 2.817,352 4.003,353 2.939,354 6.085,355 3.782,356 2.816,357 3.331,358 0.149,359 8.773,360 2.651,361 3.853,362 2.914,363 5.972,364 3.517,365 2.593,366 3.239,368 8.364,369 2.386,370 3.683,371 2.415,372 5.361,373 3.186,374 2.312,375 3.023,377 6.778,378 2.008,379 3.461,380 2.272,381 5.293,382 2.997,383 2.073,384 2.826,386 6.264,387 1.893,388 3.085,389 2.032,390 4.822,391 2.67,392 1.746,393 2.249,395 5.039,396 1.598,397 2.973,398 1.758,399 4.406,400 2.518,401 1.61,402 2.104,404 4.324,405 1.44,406 2.834,407 1.676,408 4.218,409 2.323,410 1.393,411 1.961,413 3.587,414 1.282,415 2.532,416 1.433,417 3.929,418 2.153,419 1.208,420 1.499,422 3.042,423 1.123,424 2.328,425 1.097,426 3.539,427 1.984,428 1,429 1.243,431 2.275,432 0.983,433 2.159,434 1.077,435 3.414,436 1.796,437 0.891,438 1.049,440 2.196,441 0.793,442 2.118,443 0.948,444 3.307,445 1.735,446 0.81,447 1,449 1.988,450 0.733,451 2.118,452 0.618,453 3.199,454 1.467,455 0.618,456 0.927,458 1.545,459 0.51,460 2,461 0.618,462 3,463 1.43,464 0.618,465 0.927,467 1.372,468 0.493,469 15.333,470 0.511,471 0.747,472 0.025,473 38.5,474 1.283,475 18.5,476 0.617,477 20,478 0.667,479 30.212,480 1.007,481 30.867,482 0.605,483 23.807,484 0.794,485 6.657,486 0.222,487 7.94,488 0.265,489 0.087,491 0.352,496 0.758,497 1.163,498 0.697,499 0.814,500 0.563,501 0.829,502 0.662,503 0.935,504 0.812,505 0.857,506 0.532,507 0.8,508 1.108,509 1.179,510 0.986,511 1.033,512 1.034,513 1.008,514 1.292,515 1.144,516 0.933,517 1.004,518 1.431,519 1.06,520 1.402,521 0.755,522 0.822,523 0.692,524 1.45,525 0.859,526 1.173,527 1.134,528 1.378,529 1.276,530 0.937,531 1.288,532 0.781,533 0.927,534 1.075,535 1.119,536 0.838,537 1.119,538 0.917,539 0.905,540 0.653,541 0.796,542 1.163,543 0.866,544 5.5,545 0.122,546 3.778,547 2.354,548 1.531,549 1.035,550 0.538,551 0.42,552 0.294,553 0.156,554 13827,555 38750,556 2.165,557 41.2,558 3,559 6,560 2,561 1,562 1,563 4,564 4,567 1.723,568 2.045,569 3.587,570 -0.283,572 1,575 88.452,576 1.734,577 3.913,578 4.898,579 5.094,580 5.094,581 5.094,582 3.048,583 4.415,584 4.88,585 3.81,586 1657.36,587 8.479,588 23647.1,593 289.294,594 1.347,595 4.848,596 0.162,597 0.005,598 0.077,599 0.05,600 0.034,601 0.026,602 0.017,603 0.015,604 0.011,605 0.006,606 0.403,607 0.17,608 0.75,609 0.496,610 156.201,611 -0.037,612 -0.116,613 0.069,614 0.046,615 -0.006,616 0.032,617 0.214,618 0.121,619 0.108,620 0.086,621 0.115,622 0.115,623 -0.1,624 -0.183,625 -0.073,626 -0.099,627 -0.04,628 -0.068,629 -0.045,630 -0.14,631 -0.03,632 -0.095,633 -0.073,634 -0.137,635 -0.166,636 0.229,638 0.15,639 -0.167,640 0.073,641 -0.259,642 -0.122,643 -0.338,644 -0.258,645 -0.159,646 -0.309,647 0.136,648 0.002,649 -0.091,650 -0.137,651 0.097,652 -0.095,653 0.103,654 -0.065,655 0.19,656 0.093,657 0.143,658 0.167,659 1.6,660 5.792,661 0.833,662 30.467,663 1.003,664 1.113,665 4.269,666 18.221,667 0.736,668 3.555,669 3.912,670 4.234,671 4.522,672 4.673,673 4.771,674 4.898,675 5.011,676 5.069,677 5.112,678 7.55,679 0.678,680 455.68,681 3.555,682 5.118,683 5.994,684 6.889,685 7.778,686 8.675,687 9.569,688 10.468,689 11.364,690 12.264,691 9.8,697 1,698 1,701 3,708 2,709 5,710 3,713 3,714 6,716 20,732 1,738 51,739 21,741 34,743 55,744 21,745 13,752 5,753 6,759 2,763 2,764 1,766 2,768 14,769 7,770 1,772 1,778 1,782 1,786 1,789 21,790 6,791 1,792 9,793 3,797 5,803 0.8,804 1,817 1,822 3,823 2,826 1,838 1,855 4,857 3,859 2,862 30,869 4,871 1,874 1,875 1,879 1,880 2,886 2,889 1,893 14.667,894 9.967,895 6.444,896 3.146,898 3.572,899 1.44,900 1.028,901 5.739,902 11.684,903 3.829,904 4.463,905 5.088,906 5.708,907 6.071,908 6.408,909 6.76,910 7.066,911 7.095,912 7.169,913 1,914 47,915 11.13,917 4.824,918 7.578,919 21.718,921 18.522,924 2.078,925 62.333,928 1,929 235.422,930 182.716,931 71.492,933 25.145,935 93.833,936 88.882,937 260.567,938 71.492,939 17.65,940 27.291,941 34.251,942 92.294,943 20.759,944 28.587,945 293.942,947 235.422,948 160.374,949 25.145,950 93.833,952 188.338,953 72.229,956 57.135,957 52.883,958 50.357,959 93.833,960 235.422,961 96.637,962 182.716,965 235.422,966 122.196,967 63.644,968 18.011,969 75.502,970 235.422,971 96.637,972 182.716,973 0.591,974 0.358,975 0.197,976 0.097,977 26,978 11,979 0.073,980 4,981 1,982 1.08,983 4.263,984 274.426,985 0.08,986 25,987 143.207,989 3,993 20.289,994 8.486,995 4.007,996 2.201,997 96.637,998 9.734,999 13.59,1002 4.852,1003 6.264,1005 18.011,1006 514.774,1007 45,1013 12.792,1017 0.067,1020 51.134,1021 56.783,1022 0.306,1023 0.69,1024 0.863,1025 0.898,1026 0.898,1027 0.898,1028 5.081,1029 1.61,1030 5.989,1031 5.039,1032 4.595,1033 5.15,1034 2.08,1035 6.832,1036 4.439,1037 6.296,1038 1.393,1039 7.568,1040 4.324,1041 4.205,1042 4.987,1043 1.668,1044 7.781,1045 4.02,1046 7.614,1047 1.208,1048 9.247,1049 3.587,1050 6.221,1051 7.387,1052 2.929,1053 10.911,1054 5.943,1055 8.971,1056 1,1057 10.985,1058 3.042,1059 6.686,1060 8.132,1061 3.047,1062 12.721,1063 6.379,1064 10.363,1065 0.891,1066 12.762,1067 2.275,1068 8.147,1069 9.964,1070 4.042,1071 15.366,1072 7.769,1073 11.78,1074 0.81,1075 14.566,1076 2.196,1077 8.988,1078 11.13,1079 4.412,1080 17.534,1081 8.575,1082 13.216,1083 0.618,1084 16.389,1085 1.988,1086 10.245,1087 12.756,1088 5.251,1089 20.031,1090 9.773,1091 3.282,1092 0.618,1093 18.228,1094 1.545,1095 11.256,1096 14.119,1097 5.75,1098 22.356,1099 10.741,1100 2.951,1101 11.73,1102 20.08,1103 1.372,1104 12.439,1105 15.671,1106 6.501,1107 24.811,1108 11.87,1109 2.816,1110 9.263,1111 21.942,1112 4.664,1113 13.528,1114 17.125,1115 7.068,1116 27.207,1117 12.912,1118 2.593,1119 8.773,1120 23.813,1121 3.968,1122 14.688,1123 18.656,1124 7.771,1125 29.655,1126 14.019,1127 2.312,1128 8.364,1129 25.691,1130 3.331,1131 15.815,1132 20.151,1133 8.374,1134 32.084,1135 15.095,1136 2.073,1137 6.778,1138 27.577,1139 3.239,1140 16.971,1141 21.677,1142 9.051,1143 34.533,1144 16.199,1145 1.746,1146 6.264,1147 29.468,1148 3.023,1149 18.117,1150 23.192,1151 9.674,1152 36.978,1153 17.292,1154 12626,1155 21330,1156 23.175,1157 37.517,1158 52.611,1159 52.525,1160 52.92,1161 51.718,1162 51.841,1163 68.018,1164 5.712,1165 153.078,1166 47.626,1167 5.702,1168 5.717,1169 6.553,1170 5.367,1171 5.282,1172 7.664,1173 3.306,1174 19.121,1175 5.042,1176 12.44,1177 1.547,1178 1.545,1179 1.556,1180 1.521,1181 1.525,1182 2.001,1183 0.168,1184 4.502,1185 1.401,1186 4.09,1187 4.114,1188 4.339,1189 4.071,1190 7.428,1191 4.026,1192 3.953,1193 3.965,1194 4.304,1195 3.98,1196 5.041,1197 3.9,1198 3.832,1199 3.871,1200 4.083,1201 3.73,1202 4.882,1203 3.711,1204 3.631,1205 3.656,1206 3.763,1207 3.639,1208 4.554,1209 3.548,1210 3.43,1211 3.492,1212 3.455,1213 3.26,1214 4.377,1215 3.266,1216 3.263,1217 3.313,1218 3.199,1219 3.025,1220 4.269,1221 3.05,1222 3.111,1223 3.206,1224 3.059,1225 2.941,1226 3.898,1227 2.91,1228 3.092,1229 3.196,1230 2.866,1231 2.929,1232 3.732,1233 2.877,1234 0.138,1235 0.109,1236 0.205,1237 0.124,1238 0.097,1239 4.702,1240 0.137,1241 3.717,1242 0.056,1243 6.956,1244 0.345,1245 4.228,1246 0.091,1247 3.282,1248 4.664,1249 1.907,1250 11.73,1251 3.105,1252 1.899,1253 1.856,1254 2.05,1255 2.065,1256 1.412,1257 2.061,1258 1.75,1259 1.712,1260 1.88,1261 1.893,1262 1.065,1263 1.887,1264 1.587,1265 1.574,1266 1.688,1267 1.693,1268 0.853,1269 1.734,1270 1.583,1271 1.563,1272 1.67,1273 1.675,1274 0.825,1275 1.681,1276 1.407,1277 1.391,1278 1.515,1279 1.578,1280 0.814,1281 1.57,1282 1.358,1283 1.332,1284 1.513,1285 1.451,1286 0.638,1287 1.512,1288 1.153,1289 1.064,1290 1.444,1291 1.379,1292 0.622,1293 1.434,1294 1.122,1295 1.052,1296 1.39,1297 1.376,1298 0.523,1299 1.429,1300 4.234,1302 5.58,1303 3.434,1304 7.107,1305 5.733,1306 8.718,1307 7.774,1308 10.376,1310 4.268,1315 3.249,1317 3.021,1320 -0.002,1321 2.297,1326 34.598,1327 88.452,1328 199.571,1329 249.784,1330 259.784,1331 259.784,1332 259.784,1333 44.624,1334 8.112,1335 71.01,1336 155.73,1337 27,1338 12.787,1339 4.459,1340 3.585,1341 41.929,1342 139,1343 122,1344 0.147,1345 220.257,1346 362.02,1347 529.186,1348 42617,1350 20.665,1351 0.689,1352 0.639,1353 21.725,1354 19.164,1355 14.597,1356 0.429,1357 0.366,1358 9.978,1359 12.763,1360 9.45,1361 7.788,1362 15.914,1363 12.434,1364 13.376,1365 0.273,1366 0.213,1367 15.238,1368 10.435,1369 11.91,1370 0.175,1371 0.123,1372 13.992,1373 8.384,1374 10.111,1375 0.111,1376 0.069,1377 12.372,1378 6.299,1379 7.51,1380 0.071,1381 0.039,1382 9.221,1383 4.097,1384 0.237,1385 103.626,1386 0.208,1387 28.724,1388 0.388,1389 166,1390 453.23,1391 250.201,1392 505.355,1393 701.52,1394 476,1395 200,1396 479.996,1397 272,1398 531.301,1399 784.68,1400 500,1401 5.97}
{0 CHEMBL1557083,1 1.442,2 10.909,3 3.348,4 11.207,5 84.022,6 7.253,7 0.5,8 3.807,9 3.91,10 3.354,11 3.354,12 4.877,13 3.333,14 4.341,15 4.49,16 3.656,17 3.706,18 5.392,19 3.66,20 4.593,21 4.799,22 3.635,23 3.781,24 5.593,25 3.701,26 4.497,27 4.723,28 3.433,29 3.675,30 5.461,31 3.56,32 4.427,33 4.661,34 3.308,35 3.571,36 5.408,37 3.448,38 4.334,39 4.584,40 3.263,41 3.439,42 5.354,43 3.326,44 4.204,45 4.434,46 3.205,47 3.312,48 5.307,49 3.232,50 4.097,51 4.312,52 3.061,53 3.245,54 5.134,55 3.162,56 0.012,57 0.539,58 8.553,59 4.022,60 4.855,61 5.037,62 0.151,63 0.864,64 16.1,65 6.674,66 19.289,67 8.487,68 0.381,69 1.061,70 22.699,71 8.115,72 38.81,73 10.692,74 0.24,75 0.975,76 20.456,77 7.676,78 31.935,79 10.45,80 0.253,81 0.895,82 19.387,83 7.128,84 34.717,85 9.726,86 0.244,87 0.812,88 17.879,89 6.421,90 34.095,91 9,92 0.28,93 0.707,94 15.73,95 5.306,96 36.769,97 7.208,98 0.217,99 0.62,100 14.076,101 4.9,102 30.235,103 6.339,104 2,105 31,106 0.256,107 0.564,108 0.713,109 0.825,110 0.846,111 0.854,112 3.145,113 0.943,114 -3.82,115 -3.78,116 -3.6,120 43.9,122 3,126 2,143 8,144 1,145 3,159 1,174 10,177 3,180 1,182 3,185 11,188 1,189 4,194 2,197 9,201 4,204 1,206 1,209 7,214 2,217 1,219 1,222 6,226 1,227 3,232 2,235 4,239 1,240 4,245 2,247 3,252 3,257 1,260 5,264 2,271 6,274 652,275 15.206,276 15.206,277 15.206,278 15.206,279 15.206,280 13.577,281 19.685,282 9.417,283 15.504,284 11.904,285 11.904,286 11.904,287 11.904,288 11.904,289 9.42,290 24.714,291 4.54,292 12.373,293 3.915,294 2.176,295 1.335,296 0.701,297 0.585,298 0.537,299 3.834,305 1,306 1,307 1,308 522,309 3,313 199.988,317 103.015,320 1.744,321 19.121,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47.5,333 240,334 4.283,335 3.593,336 6.185,337 3.876,338 2.931,339 3.92,340 1.907,341 9.238,342 2.77,343 3.899,344 3.247,345 5.425,346 3.539,347 2.543,348 3.445,349 0.86,350 7.179,351 2.534,352 3.759,353 2.715,354 5.338,355 3.441,356 2.463,357 3.025,358 0.86,359 6.959,360 2.4,361 3.36,362 2.428,363 4.788,364 2.997,365 2.005,366 2.572,367 0.149,368 5.398,369 1.968,370 2.935,371 2.175,372 4.407,373 2.538,374 1.618,375 2.102,377 4.353,378 1.537,379 2.923,380 1.8,381 3.668,382 2.53,383 1.537,384 2.061,386 3.214,387 1.469,388 2.5,389 1.65,390 3.614,391 2.319,392 1.399,393 1.5,395 3,396 1.273,397 2.476,398 1.27,399 3.294,400 2.021,401 1.017,402 1.475,404 2.215,405 1.018,406 2.204,407 1.02,408 3.247,409 2,410 1,411 1.152,413 2.136,414 1,415 1.916,416 1,417 3.157,418 1.597,419 0.694,420 0.821,422 1.6,423 0.62,424 1.207,425 0.616,426 2.775,427 0.992,428 0.031,429 0.034,431 0.078,432 0.029,433 1.125,434 0.326,435 2.342,436 0.782,437 -0.223,438 -0.275,440 -0.514,441 -0.221,442 0.688,443 -0.083,444 2.133,445 0.313,446 -0.618,447 -0.729,449 -1.588,450 -0.564,451 0.624,452 -0.297,453 2,454 0.209,455 -0.735,456 -0.859,458 -1.728,459 -0.685,460 0.516,461 -0.471,462 1.775,463 0.205,464 -0.829,465 -1.094,467 -1.847,468 -0.848,469 10.4,470 0.473,471 0.362,472 0.016,473 28.75,474 1.307,475 15,476 0.682,477 13.75,478 0.625,479 15.168,480 0.689,481 23.8,482 0.58,483 18.321,484 0.833,485 5.711,486 0.26,487 5.098,488 0.232,489 0.032,491 0.24,496 0.786,497 1.189,498 0.796,499 1.101,500 0.596,501 0.969,502 1.028,503 1.199,504 0.976,505 1.142,506 0.691,507 1.07,508 1.202,509 0.973,510 1.066,511 0.942,512 1.156,513 0.971,514 0.896,515 1.071,516 1.055,517 1.08,518 1.072,519 1.09,520 0.949,521 1.031,522 1.056,523 1.035,524 1.47,525 1.06,526 0.71,527 1.047,528 0.856,529 0.993,530 0.973,531 0.953,532 1.084,533 0.945,534 0.961,535 0.905,536 1.427,537 0.901,538 1.514,539 0.855,540 1.12,541 0.856,542 1.884,543 0.911,544 3.5,545 0.07,546 1.556,547 0.875,548 0.747,549 0.403,550 0.303,551 0.175,552 0.114,553 0.046,554 5916,555 14849,556 2.125,557 46.3,558 4,559 12,562 1,563 2,567 1.637,568 2.063,569 3.427,570 -0.354,571 1,572 1,574 1,575 59.135,576 1.442,577 3.181,578 4.022,579 4.656,580 4.772,581 4.821,582 2.902,583 4.005,584 4.433,585 3.582,586 827.541,587 7.571,588 9629.75,589 1,590 1,592 1,593 219.66,594 1.023,595 4.423,596 0.146,597 0.005,598 0.05,599 0.03,600 0.032,601 0.02,602 0.016,603 0.01,604 0.007,605 0.003,606 0.32,607 0.67,608 1,609 0.405,610 104.114,611 -0.024,612 -0.063,613 0.054,614 -0.041,615 -0.021,616 0.012,617 -0.011,618 -0.153,619 -0.052,620 -0.13,621 0.021,622 -0.108,623 -0.047,624 0.026,625 -0.073,626 0.017,627 -0.102,628 -0.023,629 -0.014,630 -0.08,631 -0.092,632 -0.11,633 -0.044,634 -0.115,635 -0.023,636 -0.059,637 -0.078,638 -0.071,639 -0.111,640 -0.084,641 0.165,642 -0.085,643 0.133,644 -0.038,645 0.175,646 0.03,647 0.072,648 0.044,649 0.057,650 0.029,651 0.087,652 0.044,653 -0.226,654 0.109,655 -0.099,656 0.096,657 -0.216,658 0.033,659 1.646,660 4.988,661 0.727,662 19.058,663 1.001,664 1.119,665 2.594,666 6.731,667 0.664,668 3.219,669 3.466,670 3.664,671 3.871,672 4.06,673 3.97,674 4.025,675 4.078,676 4.06,677 3.892,678 6.465,679 0.632,680 297.38,681 3.219,682 4.71,683 5.517,684 6.351,685 7.172,686 8.011,687 8.839,688 9.681,689 10.513,690 11.357,691 2.4,698 1,709 8,714 4,716 12,735 2,738 41,739 13,740 2,741 24,743 43,744 18,745 12,746 4,747 8,752 3,753 4,766 3,768 13,769 5,772 1,778 1,782 1,785 1,786 1,789 19,790 4,791 1,792 4,797 1,803 0.667,804 3,823 3,827 1,838 1,855 2,862 22,869 5,871 1,872 2,886 7.3,889 1,891 2,893 10.667,894 7.167,895 4.944,896 2.535,898 2.061,899 1.307,900 0.975,901 4.963,902 8.782,903 3.466,904 3.97,905 4.431,906 4.92,907 5.391,908 5.331,909 5.502,910 5.663,911 5.65,912 5.524,913 1,914 29,915 8.143,917 3.384,918 7.697,919 15.692,921 12.625,924 2.197,925 48.333,929 211.88,930 113.732,931 18.011,933 47.145,936 113.732,937 259.025,938 18.011,940 34.799,941 75.81,942 29.85,943 38.429,945 211.88,947 211.88,948 131.743,949 47.145,952 211.88,953 47.145,956 34.799,957 96.944,960 211.88,961 65.155,962 113.732,965 211.88,966 37.922,967 75.81,968 18.011,969 47.145,970 211.88,971 65.155,972 113.732,973 0.561,974 0.313,975 0.169,976 0.091,977 14,978 5,979 0.116,980 5,981 1,982 1.125,983 3.668,984 158.724,985 0.125,986 16,987 94.107,993 14.917,994 7.32,995 4.25,997 65.155,998 15.672,1003 3.422,1005 18.011,1006 390.767,1007 31,1013 11.988,1017 0.021,1020 41.036,1021 45.863,1022 0.269,1023 0.594,1024 0.751,1025 0.869,1026 0.891,1027 0.9,1028 4.654,1029 1.017,1030 5.442,1031 3,1032 4.143,1033 4.654,1034 2.303,1035 6.138,1036 4.073,1037 5.801,1038 1,1039 6.919,1040 2.215,1041 3.434,1042 4.205,1043 1.593,1044 6.763,1045 3.349,1046 7.059,1047 0.694,1048 8.492,1049 2.136,1050 5.617,1051 6.71,1052 3.017,1053 9.834,1054 5.479,1055 8.349,1056 0.031,1057 10.125,1058 1.6,1059 5.74,1060 7.07,1061 3.032,1062 11.329,1063 5.568,1064 9.671,1065 -0.223,1066 11.797,1067 0.078,1068 7.343,1069 9.041,1070 4.066,1071 13.865,1072 7.13,1073 11.016,1074 -0.618,1075 13.498,1076 -0.514,1077 7.897,1078 9.805,1079 4.409,1080 15.743,1081 7.632,1082 12.377,1083 -0.735,1084 15.22,1085 -1.588,1086 9.217,1087 11.517,1088 5.257,1089 18.079,1090 8.917,1091 2.931,1092 -0.829,1093 16.957,1094 -1.728,1095 10.005,1096 12.51,1097 5.75,1098 20.137,1099 9.639,1100 2.543,1101 9.238,1102 18.707,1103 -1.847,1104 11.184,1105 14.077,1106 6.503,1107 22.398,1108 10.782,1109 2.463,1110 7.179,1111 20.467,1112 3.92,1113 12.099,1114 15.209,1115 7.068,1116 24.54,1117 11.626,1118 2.005,1119 6.959,1120 22.235,1121 3.445,1122 13.211,1123 16.692,1124 7.771,1125 26.773,1126 12.696,1127 1.618,1128 5.398,1129 24.01,1130 3.025,1131 14.195,1132 17.909,1133 8.374,1134 28.956,1135 13.608,1136 1.537,1137 4.353,1138 25.791,1139 2.572,1140 15.276,1141 19.342,1142 9.051,1143 31.179,1144 14.642,1145 1.399,1146 3.214,1147 27.578,1148 2.102,1149 16.297,1150 20.613,1151 9.674,1152 33.382,1153 15.592,1154 5614,1155 9015,1156 16.583,1157 27.222,1158 34.676,1159 35.692,1160 34.961,1161 34.435,1162 34.478,1163 44.213,1164 7.552,1165 90.74,1166 33.237,1167 5.227,1168 5.593,1169 5.987,1170 5.016,1171 4.931,1172 6.92,1173 3.306,1174 15.555,1175 4.77,1176 5.629,1177 1.445,1178 1.487,1179 1.457,1180 1.435,1181 1.437,1182 1.842,1183 0.315,1184 3.781,1185 1.385,1186 3.974,1187 3.998,1188 3.919,1189 3.881,1190 7.429,1191 3.88,1192 3.91,1193 3.937,1194 3.836,1195 3.831,1196 4.952,1197 3.835,1198 3.643,1199 3.685,1200 3.545,1201 3.479,1202 4.751,1203 3.481,1204 3.45,1205 3.504,1206 3.306,1207 3.253,1208 4.382,1209 3.26,1210 3.21,1211 3.264,1212 3.078,1213 3.02,1214 4.213,1215 3.028,1216 2.912,1217 2.963,1218 2.796,1219 2.749,1220 3.99,1221 2.748,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.722,1227 2.715,1228 2.81,1229 2.876,1230 2.662,1231 2.655,1232 3.674,1233 2.651,1234 0.178,1235 0.15,1236 0.258,1237 0.162,1238 0.122,1239 4.283,1240 0.163,1241 3.593,1242 0.079,1243 6.185,1244 0.385,1245 3.876,1246 0.115,1247 2.931,1248 3.92,1249 1.907,1250 9.238,1251 2.77,1252 1.929,1253 1.899,1254 2.07,1255 2.041,1256 1.297,1257 2.042,1258 1.891,1259 1.873,1260 1.986,1261 2.005,1262 1.108,1263 2.009,1264 1.611,1265 1.563,1266 1.832,1267 1.803,1268 1.004,1269 1.808,1270 1.417,1271 1.364,1272 1.682,1273 1.639,1274 0.916,1275 1.657,1276 1.164,1277 1.112,1278 1.402,1279 1.399,1280 0.571,1281 1.401,1282 0.888,1283 0.835,1284 1.181,1285 1.108,1286 0.218,1287 1.125,1288 0.886,1289 0.821,1290 1.151,1291 1.062,1292 0.209,1293 1.107,1294 0.794,1295 0.736,1296 1.049,1297 1.025,1298 0.13,1299 1.039,1300 3.892,1302 5.153,1304 6.613,1306 8.163,1308 9.758,1315 3.36,1317 2.904,1318 10.968,1326 25.907,1327 59.135,1328 130.44,1329 164.905,1330 190.905,1331 195.66,1332 197.66,1333 32.481,1334 6.72,1335 47.56,1336 47.56,1337 18,1338 11.922,1339 3.807,1340 3,1341 34.818,1342 86,1343 76,1344 0.194,1345 159.544,1346 279.97,1347 381.047,1348 7624,1350 15.2,1351 0.691,1352 0.563,1353 15.2,1354 12.379,1355 10.81,1356 0.45,1357 0.314,1358 7.448,1359 10.412,1360 7.32,1361 6.041,1362 10.81,1363 7.546,1364 9.26,1365 0.299,1366 0.169,1367 9.26,1368 5.246,1369 7.418,1370 0.195,1371 0.093,1372 7.418,1373 3.538,1374 6.102,1375 0.13,1376 0.052,1377 6.102,1378 2.442,1379 4.856,1380 0.085,1381 0.029,1382 4.856,1383 1.625,1384 0.315,1385 67.66,1386 0.246,1387 22.4,1388 0.503,1389 110,1390 333.539,1391 121.354,1392 313.551,1393 425.42,1394 296,1395 124,1396 305.799,1397 135.023,1398 305.273,1399 442.59,1400 289,1401 4.492}
{0 CHEMBL1558065,1 1.592,2 10.519,3 4.184,4 17.505,5 110.851,6 8.742,7 0.567,8 3.997,9 4.108,10 3.71,11 3.563,12 5.065,13 3.533,14 4.539,15 4.713,16 4.11,17 3.965,18 5.516,19 3.916,20 4.787,21 4.976,22 4.327,23 4.159,24 5.785,25 4.075,26 4.894,27 5.108,28 4.253,29 4.188,30 5.795,31 4.067,32 4.952,33 5.191,34 4.183,35 4.173,36 5.805,37 4.025,38 4.883,39 5.125,40 4.044,41 4.097,42 5.69,43 3.91,44 4.8,45 5.089,46 3.833,47 3.926,48 5.525,49 3.719,50 4.525,51 4.791,52 3.573,53 3.626,54 5.397,55 3.47,56 0.021,57 0.695,58 8.461,59 4.503,60 8.996,61 5.691,62 0.191,63 1.163,64 19.144,65 7.328,66 16.756,67 9.381,68 0.356,69 1.434,70 31.641,71 10.391,72 31.343,73 13.308,74 0.218,75 1.526,76 35.545,77 12.146,78 30.482,79 15.886,80 0.4,81 1.573,82 43.914,83 12.938,84 40.986,85 16.755,86 0.373,87 1.44,88 41.13,89 12.9,90 38.243,91 16.753,92 0.278,93 1.315,94 51.932,95 12.232,96 30.881,97 16.059,98 0.383,99 0.978,100 39.95,101 8.502,102 35.819,103 10.73,104 11,105 42,106 0.269,107 0.598,108 0.754,109 0.849,110 0.856,111 0.856,112 3.34,113 0.982,114 -4.34,115 -4.28,116 -4.04,118 1,120 42.9,125 1,126 5,143 7,144 2,145 4,146 1,147 1,174 7,177 5,185 6,188 2,189 8,192 1,194 3,197 4,201 5,206 2,209 2,213 1,214 4,219 1,222 1,226 1,227 4,230 1,235 1,240 2,247 1,251 1,252 3,260 4,264 2,267 1,271 6,274 1024,275 18.577,276 18.577,277 18.577,278 18.577,279 18.577,280 16.465,281 20.916,282 10.901,283 19.188,284 14.732,285 14.732,286 14.732,287 14.732,288 14.732,289 11.598,290 29.101,291 5.058,292 15.715,293 4.022,294 2.077,295 1.151,296 0.587,297 0.546,298 0.546,299 4.04,306 1,307 1,308 620,309 2.55,313 306.133,317 118.571,320 1.682,321 18.675,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57.25,333 284,334 4.637,335 3.397,336 6.768,337 4.163,338 3.198,339 4.591,340 0.916,341 11.042,342 3.084,343 4.294,344 3.286,345 6.498,346 3.96,347 3.017,348 3.862,349 0.86,350 10.161,351 2.843,352 3.792,353 2.941,354 5.862,355 3.499,356 2.568,357 3.238,358 0.8,359 7.942,360 2.384,361 3.635,362 2.661,363 5.457,364 3.255,365 2.334,366 3.001,367 0.172,368 7.02,369 2.132,370 3.442,371 2.478,372 5.249,373 3.074,374 2.143,375 2.573,377 6.325,378 1.944,379 3.122,380 2.231,381 5.047,382 2.855,383 1.931,384 2.222,386 5.804,387 1.772,388 2.917,389 1.69,390 4.039,391 2.462,392 1.495,393 2.09,395 3.366,396 1.437,397 2.9,398 1.617,399 3.889,400 2.383,401 1.426,402 2.084,404 3.126,405 1.328,406 2.53,407 1.259,408 3.661,409 2.135,410 1.161,411 1.541,413 2.836,414 1.126,415 2.43,416 1.146,417 3.597,418 1.971,419 1.018,420 1.406,422 2.614,423 0.965,424 2,425 1.133,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.96,433 1.808,434 1.059,435 3.352,436 1.466,437 0.59,438 0.686,440 1.448,441 0.478,442 1.646,443 0.939,444 2.823,445 1.353,446 0.483,447 0.546,449 0.765,450 0.406,451 1.096,452 0.337,453 2.677,454 0.872,455 -0.028,456 -0.031,458 -0.065,459 -0.022,460 1.004,461 -0.059,462 2.59,463 0.486,464 -0.425,465 -0.532,467 -1.036,468 -0.321,469 13.7,470 0.507,471 0.589,472 0.022,473 35.25,474 1.306,475 17.5,476 0.648,477 17.75,478 0.657,479 24.131,480 0.894,481 28.3,482 0.578,483 23.521,484 0.871,485 6.891,486 0.255,487 6.278,488 0.233,489 0.158,491 0.314,496 0.906,497 1.366,498 0.507,499 0.918,500 0.882,501 0.906,502 1.216,503 1.022,504 0.589,505 0.716,506 0.744,507 0.781,508 0.821,509 1.022,510 0.819,511 0.962,512 0.649,513 0.972,514 0.858,515 1.189,516 0.769,517 1.058,518 0.773,519 1.086,520 1.049,521 0.963,522 0.912,523 0.981,524 0.935,525 1.039,526 0.817,527 1.096,528 0.962,529 1.075,530 0.908,531 1.158,532 0.688,533 0.953,534 1.35,535 1.085,536 0.634,537 1.003,538 1.33,539 0.747,540 1.371,541 1.002,542 1.534,543 0.935,544 4.5,545 0.161,546 3.333,547 2.063,548 1.582,549 0.868,550 0.564,551 0.285,552 0.209,553 0.166,554 9188,555 25106,556 2.12,557 44.9,559 20,561 1,562 1,567 1.698,568 2,569 3.353,570 -0.346,572 1,575 78.02,576 1.592,577 3.538,578 4.464,579 5.028,580 5.069,581 5.069,582 2.698,583 4.459,584 4.73,585 3.553,586 1247.03,587 8.194,588 16143,590 1,592 1,593 275.121,594 1.352,595 4.694,596 0.15,597 0.007,598 0.079,599 0.045,600 0.039,601 0.024,602 0.019,603 0.012,604 0.01,605 0.008,606 0.394,607 0.33,608 1,609 0.704,610 134.076,611 -0.047,612 -0.225,613 0.007,614 -0.051,615 -0.052,616 -0.007,617 -0.185,618 0.114,619 0.017,620 0.137,621 -0.037,622 0.109,623 0.114,624 0.051,625 0.013,626 -0.035,627 0.184,628 -0.035,629 -0.014,630 -0.197,631 0.008,632 -0.123,633 0.029,634 -0.115,635 -0.087,636 0.01,637 -0.02,638 -0.027,639 -0.105,640 -0.062,641 0.024,642 -0.163,643 -0.03,644 -0.093,645 -0.095,646 -0.153,647 0.007,648 -0.03,649 -0.059,650 -0.027,651 0.016,652 0.041,653 -0.132,654 0.197,655 -0.108,656 0.027,657 -0.192,658 0.056,659 1.463,660 4.257,661 0.815,662 23.775,663 1.001,664 1.121,665 3.112,666 9.683,667 0.692,668 3.434,669 3.761,670 4.078,671 4.344,672 4.595,673 4.605,674 4.71,675 4.804,676 4.913,677 4.97,678 6.525,679 0.649,680 428.36,681 3.434,682 4.977,683 5.844,684 6.727,685 7.609,686 8.498,687 9.384,688 10.273,689 11.161,690 12.051,691 6.1,694 1,697 1,701 1,708 2,709 8,710 1,714 5,716 17,732 1,734 1,735 1,737 1,738 49,739 17,740 2,741 30,742 1,743 52,744 21,745 15,746 7,747 5,752 4,753 5,768 15,769 6,786 1,789 22,790 5,791 1,792 6,793 1,797 3,803 0.75,804 2,816 1,823 4,827 1,851 1,855 3,858 1,859 1,862 27,868 1,869 5,872 1,875 2,885 1,886 4.1,888 1,891 1,893 13.5,894 9.026,895 6,896 2.87,898 3.321,899 1.433,900 0.985,901 5.527,902 10.985,903 3.676,904 4.29,905 4.913,906 5.499,907 6.058,908 6.254,909 6.552,910 6.834,911 7.154,912 7.093,913 0.857,914 46,915 9.971,917 4.204,918 7.59,919 19.406,921 16.07,924 2.09,925 56.417,928 1,929 247.193,930 115.751,931 68.988,933 53.683,936 161.705,937 300.876,938 23.034,939 10.883,940 10.529,941 66.334,942 71.24,943 45.254,945 235.422,946 45.954,947 247.193,948 138.785,949 53.683,951 45.954,952 247.193,953 53.683,956 24.844,957 97.155,958 16.786,959 45.954,960 247.193,961 76.717,962 161.705,965 247.193,966 29.486,967 92.513,968 45.954,969 70.469,970 247.193,971 76.717,972 161.705,973 0.579,974 0.357,975 0.199,976 0.11,977 21,978 9,979 0.077,980 4,981 1,982 1.091,983 3.88,984 234.968,985 0.091,986 22,987 124.382,993 18.541,994 8.049,995 3.77,996 1.653,997 76.717,998 15.835,999 4.345,1003 4.146,1005 42.683,1006 485.615,1007 38.5,1020 49.025,1021 54.907,1022 0.284,1023 0.63,1024 0.795,1025 0.895,1026 0.903,1027 0.903,1028 4.914,1029 1.426,1030 5.826,1031 3.366,1032 4.443,1033 4.977,1034 1.598,1035 6.658,1036 4.32,1037 6.115,1038 1.161,1039 7.398,1040 3.126,1041 4.007,1042 4.796,1043 0.57,1044 7.606,1045 3.783,1046 7.425,1047 1.018,1048 9.074,1049 2.836,1050 6.052,1051 7.215,1052 1.256,1053 10.732,1054 5.831,1055 8.775,1056 1,1057 10.811,1058 2.614,1059 6.463,1060 7.912,1061 0.581,1062 12.513,1063 6.154,1064 10.161,1065 0.59,1066 12.587,1067 2.275,1068 7.958,1069 9.799,1070 1.023,1071 15.156,1072 7.648,1073 11.573,1074 0.483,1075 14.39,1076 1.448,1077 8.76,1078 10.916,1079 0.515,1080 17.276,1081 8.382,1082 13.005,1083 -0.028,1084 16.212,1085 0.765,1086 10.035,1087 12.584,1088 0.84,1089 19.754,1090 9.644,1091 3.198,1092 -0.425,1093 18.049,1094 -0.065,1095 11.02,1096 13.908,1097 0.441,1098 22.019,1099 10.577,1100 3.017,1101 11.042,1102 19.896,1103 -1.036,1104 12.208,1105 15.483,1106 0.689,1107 24.438,1108 11.742,1109 2.568,1110 10.161,1111 21.752,1112 4.591,1113 13.279,1114 16.907,1115 0.373,1116 26.767,1117 12.768,1118 2.334,1119 7.942,1120 23.614,1121 3.862,1122 14.435,1123 18.444,1124 0.564,1125 29.163,1126 13.895,1127 2.143,1128 7.02,1129 25.483,1130 3.238,1131 15.545,1132 19.916,1133 0.314,1134 31.521,1135 14.965,1136 1.931,1137 6.325,1138 27.356,1139 3.001,1140 16.691,1141 21.439,1142 0.461,1143 33.91,1144 16.079,1145 1.495,1146 5.804,1147 29.234,1148 2.573,1149 17.819,1150 22.935,1151 0.264,1152 36.282,1153 17.17,1154 8690,1155 14508,1156 20.285,1157 33.892,1158 44.94,1159 45.685,1160 46.515,1161 44.902,1162 44.728,1163 57.679,1164 5.498,1165 129.448,1166 41.718,1167 5.637,1168 5.397,1169 6.46,1170 5.23,1171 5.198,1172 7.591,1173 1.776,1174 18.553,1175 5.084,1176 11.722,1177 1.498,1178 1.523,1179 1.551,1180 1.497,1181 1.491,1182 1.923,1183 0.183,1184 4.315,1185 1.391,1186 4.089,1187 4.114,1188 6.88,1189 4.028,1190 6.469,1191 4.027,1192 3.948,1193 3.984,1194 4.014,1195 3.846,1196 4.929,1197 3.851,1198 3.722,1199 3.782,1200 3.886,1201 3.55,1202 4.864,1203 3.556,1204 3.467,1205 3.505,1206 3.613,1207 3.404,1208 4.414,1209 3.378,1210 3.249,1211 3.315,1212 3.298,1213 3.08,1214 4.373,1215 3.075,1216 3.23,1217 3.282,1218 3.09,1219 2.968,1220 4.245,1221 2.978,1222 3.111,1223 3.206,1224 3.062,1225 2.941,1226 3.897,1227 2.91,1228 2.932,1229 2.997,1230 2.866,1231 2.755,1232 3.736,1233 2.759,1234 0.155,1235 0.113,1236 0.226,1237 0.139,1238 0.107,1239 4.637,1240 0.153,1241 3.397,1242 0.031,1243 6.768,1244 0.368,1245 4.163,1246 0.103,1247 3.198,1248 4.591,1249 0.916,1250 11.042,1251 3.084,1252 2.04,1253 2.022,1254 2.098,1255 2.128,1256 1.348,1257 2.125,1258 1.907,1259 1.877,1260 2.024,1261 2.044,1262 1.229,1263 2.041,1264 1.693,1265 1.628,1266 1.888,1267 1.877,1268 1.029,1269 1.884,1270 1.453,1271 1.418,1272 1.601,1273 1.577,1274 0.825,1275 1.595,1276 1.198,1277 1.133,1278 1.573,1279 1.512,1280 0.731,1281 1.532,1282 1.177,1283 1.121,1284 1.513,1285 1.392,1286 0.574,1287 1.429,1288 1.153,1289 1.064,1290 1.356,1291 1.376,1292 0.564,1293 1.392,1294 0.89,1295 0.829,1296 1.142,1297 1.123,1298 0.291,1299 1.122,1300 4.111,1302 5.434,1304 6.974,1306 8.613,1308 10.3,1309 3.457,1310 1.719,1314 10.257,1315 4.684,1318 5.503,1321 4.818,1326 31.787,1327 78.02,1328 173.364,1329 218.714,1330 246.366,1331 248.366,1332 248.366,1333 38.288,1334 7.664,1335 48.83,1336 48.83,1337 24,1338 12.58,1339 4.17,1340 3.248,1341 40.356,1342 108,1343 91,1344 0.185,1345 199.506,1346 338.46,1347 478.555,1348 23338,1349 2,1350 18.803,1351 0.696,1352 0.623,1353 19.803,1354 16.815,1355 13.169,1356 0.439,1357 0.327,1358 8.94,1359 12.148,1360 8.672,1361 7.144,1362 13.746,1363 9.818,1364 11.577,1365 0.276,1366 0.18,1367 12.319,1368 7.555,1369 10.353,1370 0.179,1371 0.098,1372 11.115,1373 5.702,1374 8.63,1375 0.114,1376 0.054,1377 9.18,1378 4.139,1379 7.282,1380 0.074,1381 0.031,1382 7.792,1383 3.031,1384 0.293,1385 90.72,1386 0.222,1387 25.912,1388 0.504,1389 144,1390 391.475,1391 221.07,1392 415.267,1393 563.11,1394 390,1395 172,1396 388.703,1397 220.937,1398 409.16,1399 601.8,1400 384,1401 6.317}
{0 CHEMBL1558070,1 1.811,2 8.7,3 3.346,4 11.196,5 82.838,6 8.541,7 0.455,8 3.668,9 3.779,10 3.347,11 3.168,12 4.823,13 3.168,14 4.184,15 4.34,16 3.716,17 3.532,18 5.303,19 3.518,20 4.385,21 4.586,22 3.752,23 3.637,24 5.496,25 3.569,26 4.315,27 4.538,28 3.597,29 3.548,30 5.442,31 3.421,32 4.105,33 4.33,34 3.461,35 3.249,36 5.346,37 3.167,38 3.762,39 3.929,40 3.423,41 3.126,42 5.074,43 3.064,44 3.765,45 3.912,46 3.268,47 3.243,48 4.826,49 3.14,50 3.991,51 4.156,52 3.175,53 3.276,54 5.053,55 3.176,56 0.105,57 0.538,58 5.916,59 2.875,60 10.101,61 3.354,62 0.304,63 0.852,64 12.879,65 4.461,66 20.349,67 5.577,68 0.445,69 0.981,70 17.931,71 6.077,72 33.317,73 7.61,74 0.319,75 0.938,76 21.008,77 6.605,78 35.893,79 7.847,80 0.383,81 0.73,82 19.658,83 4.809,84 42.289,85 5.158,86 0.297,87 0.563,88 10.663,89 3.18,90 29.701,91 3.519,92 0.113,93 0.573,94 11.097,95 4.266,96 12.177,97 4.606,98 0.225,99 0.631,100 12.24,101 4.627,102 25.282,103 5.159,104 5,105 30,106 0.334,107 0.688,108 0.775,109 0.818,110 0.829,111 0.829,112 3.058,113 0.92,114 -2.45,115 -2.48,116 -2.43,120 38.2,126 4,143 4,144 1,145 1,153 1,154 1,160 1,167 1,174 4,176 1,177 1,181 1,182 2,185 4,188 2,189 2,192 2,194 3,197 2,201 3,204 2,206 3,213 1,214 4,219 2,226 1,227 2,230 2,240 2,252 2,264 1,267 2,274 458,275 13.69,276 13.69,277 13.69,278 13.69,279 13.69,280 12.244,281 13.02,282 8.223,283 14.197,284 10.86,285 10.86,286 10.86,287 10.86,288 10.86,289 8.604,290 11.902,291 3.894,292 11.686,293 3.277,294 1.353,295 0.882,296 0.647,297 0.588,298 0.588,299 3.739,305 1,306 1,307 1,308 378,309 2.739,312 41.644,313 115.832,316 78.701,320 1.16,321 19.374,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44,333 174,334 4.623,335 3.88,336 6.717,337 4.141,338 3.174,339 4.578,340 1.78,341 10.907,342 3.069,343 3.984,344 3.262,345 6.018,346 3.667,347 2.779,348 3.234,349 0.86,350 8.539,351 2.465,352 3.592,353 2.605,354 5.467,355 3.141,356 2.18,357 2.981,358 0.532,359 6.684,360 2.089,361 3.193,362 2.316,363 4.765,364 2.739,365 1.842,366 2.474,368 4.995,369 1.657,370 3.008,371 1.975,372 4.308,373 2.622,374 1.696,375 2.041,377 4.218,378 1.552,379 2.83,380 1.889,381 3.663,382 2.339,383 1.354,384 1.983,386 2.939,387 1.33,388 2.577,389 1.402,390 3.601,391 2.127,392 1.223,393 1.493,395 2.816,396 1.097,397 2.165,398 1.264,399 3.422,400 1.952,401 1,402 1.071,404 2.147,405 0.946,406 2,407 1.256,408 3.247,409 1.772,410 0.87,411 1,413 2.136,414 0.776,415 1.925,416 0.681,417 2.897,418 1.207,419 0.27,420 0.43,422 0.633,423 0.25,424 0.974,425 0.075,426 2.382,427 0.533,428 -0.369,429 -0.461,431 -0.877,432 -0.327,433 0.648,434 -0.207,435 2.176,436 0.191,437 -0.744,438 -0.81,440 -1.607,441 -0.667,442 0.441,443 -0.36,444 2,445 0.125,446 -0.821,447 -1,449 -2.04,450 -0.771,451 0.398,452 -0.585,453 1.804,454 -0.052,455 -1,456 -1.149,458 -2.347,459 -0.846,460 0.091,461 -0.899,462 1.555,463 -0.149,464 -1,465 -1.399,467 -2.437,468 -0.947,469 9.6,470 0.48,471 0.418,472 0.021,473 25.5,474 1.275,475 12,476 0.6,477 13.5,478 0.675,479 13.675,480 0.684,481 21.6,482 0.635,483 17.003,484 0.85,485 5.253,486 0.263,487 4.501,488 0.225,489 0.122,491 0.302,496 0.944,497 1.238,498 0.614,499 0.878,500 0.866,501 0.871,502 1.082,503 1.178,504 0.719,505 0.88,506 0.676,507 0.89,508 0.967,509 0.957,510 0.796,511 0.815,512 0.839,513 0.913,514 0.765,515 1.2,516 1.266,517 1.246,518 0.898,519 1.114,520 1.376,521 1.014,522 1.451,523 1.125,524 1.632,525 0.842,526 1.026,527 0.854,528 1.007,529 0.893,530 1.313,531 0.805,532 0.812,533 1.181,534 1.423,535 1.409,536 0.945,537 1.168,538 1.35,539 1.139,540 1.325,541 1.286,542 1.664,543 1.366,544 3,545 0.016,546 2.444,547 1.701,548 0.533,549 0.49,550 0.38,551 0.214,552 0.096,553 0.043,554 3953,555 11915,556 2.107,557 41.2,559 12,562 2,567 1.616,568 2,569 3.11,570 0.459,572 1,574 1,575 61.565,576 1.811,577 3.735,578 4.205,579 4.44,580 4.499,581 4.499,582 2.446,583 4.022,584 4.298,585 3.221,586 611.988,587 7.33,588 6296.65,589 1,590 1,591 1,592 1,593 172.974,594 1.295,595 4.266,596 0.136,597 0.004,598 0.081,599 0.059,600 0.023,601 0.026,602 0.021,603 0.012,604 0.006,605 0.004,606 0.373,607 0.67,608 1,609 0.548,610 88.73,611 -0.075,612 -0.119,613 0.017,614 -0.036,615 -0.08,616 -0.003,617 -0.062,618 -0.126,619 0.028,620 -0.033,621 0.026,622 -0.007,623 0.028,624 0.032,625 0.058,626 0.069,627 0.058,628 0.017,629 0.009,630 -0.16,631 -0.104,632 -0.154,633 0.02,634 -0.119,635 -0.197,636 0.064,637 -0.096,638 0.017,639 -0.201,640 0.1,641 0.089,642 0.291,643 0.134,644 0.184,645 0.054,646 0.095,647 -0.12,648 -0.066,649 -0.25,650 -0.178,651 -0.122,652 -0.153,653 -0.303,654 -0.154,655 -0.418,656 -0.305,657 -0.357,658 -0.421,659 1.667,660 3.871,661 0.75,662 13.1,663 1.016,664 1.13,665 1.221,666 1.49,667 0.688,668 3.135,669 3.434,670 3.714,671 3.951,672 4.094,673 4.025,674 4.094,675 4.127,676 4.007,677 4.025,678 5.197,679 0.657,680 290.38,681 3.135,682 4.654,683 5.501,684 6.368,685 7.233,686 8.107,687 8.98,688 9.857,689 10.734,690 11.614,691 11.8,698 1,699 1,704 2,708 2,709 4,711 1,714 2,716 10,734 1,738 34,739 12,740 1,741 22,743 36,744 13,745 8,746 2,747 4,748 1,752 3,753 4,768 9,769 4,772 2,779 1,781 2,782 1,785 1,786 1,789 14,790 5,791 2,792 7,793 1,797 4,802 1,803 0.667,804 2,818 1,822 1,823 2,826 1,854 1,855 2,857 1,862 20,868 1,869 4,872 1,875 1,886 5.9,888 1,890 1,893 10,894 5.967,895 4.444,896 1.961,898 2.644,899 1.401,900 0.96,901 3.959,902 9.237,903 3.401,904 3.975,905 4.596,906 5.197,907 5.677,908 5.973,909 6.356,910 6.713,911 6.606,912 6.8,913 0.833,914 29,915 7.35,917 3.101,918 7.8,919 13.927,921 11.232,924 2.3,925 46,926 0.001,929 141.253,930 104.252,931 53.236,933 53.683,935 45.192,936 59.06,937 194.936,938 53.236,940 16.52,941 37.905,942 53.683,943 22.115,944 35.755,945 141.253,946 45.192,947 141.253,948 112.295,949 53.683,950 45.192,952 141.253,953 42.683,954 11,956 33.306,957 45.663,958 33.326,959 45.192,960 141.253,961 106.919,962 104.252,965 141.253,966 21.155,967 41.029,968 16.786,969 132.201,970 141.253,971 106.919,972 104.252,973 0.575,974 0.343,975 0.187,976 0.097,977 15,978 6,979 0.056,980 2,981 1,982 1.133,983 3.316,984 147.918,985 0.133,986 15,987 82.439,990 1,993 13.488,994 5.87,995 2.849,996 1.634,997 90.134,998 7.512,1000 2.855,1003 0.413,1005 59.469,1006 352.424,1007 29,1014 5.231,1016 8.137,1017 0.415,1020 34.556,1021 38.408,1022 0.356,1023 0.734,1024 0.827,1025 0.873,1026 0.884,1027 0.884,1028 4.62,1029 1,1030 5.468,1031 2.816,1032 4.111,1033 4.659,1034 2.109,1035 6.267,1036 3.977,1037 5.81,1038 0.87,1039 7.018,1040 2.147,1041 3.611,1042 4.46,1043 1.404,1044 7.168,1045 3.398,1046 7.11,1047 0.27,1048 8.677,1049 2.136,1050 5.68,1051 6.886,1052 2.755,1053 10.289,1054 5.435,1055 8.454,1056 -0.369,1057 10.401,1058 0.633,1059 6.066,1060 7.627,1061 2.661,1062 12.085,1063 5.76,1064 9.838,1065 -0.744,1066 12.168,1067 -0.877,1068 7.576,1069 9.501,1070 3.686,1071 14.704,1072 7.241,1073 11.252,1074 -0.821,1075 13.965,1076 -1.607,1077 8.376,1078 10.68,1079 3.899,1080 16.851,1081 7.999,1082 12.69,1083 -1,1084 15.782,1085 -2.04,1086 9.657,1087 12.337,1088 4.736,1089 19.308,1090 9.251,1091 3.174,1092 -1,1093 17.615,1094 -2.347,1095 10.647,1096 13.714,1097 5.109,1098 21.595,1099 10.209,1100 2.779,1101 10.907,1102 19.46,1103 -2.437,1104 11.837,1105 15.287,1106 5.836,1107 23.999,1108 11.371,1109 2.18,1110 8.539,1111 21.313,1112 4.578,1113 12.911,1114 16.748,1115 6.297,1116 26.344,1117 12.418,1118 1.842,1119 6.684,1120 23.175,1121 3.234,1122 14.067,1123 18.289,1124 6.961,1125 28.733,1126 13.548,1127 1.696,1128 4.995,1129 25.042,1130 2.981,1131 15.178,1132 19.785,1133 7.471,1134 31.101,1135 14.634,1136 1.354,1137 4.218,1138 26.914,1139 2.474,1140 16.324,1141 21.313,1142 8.098,1143 33.487,1144 15.755,1145 1.223,1146 2.939,1147 28.79,1148 2.041,1149 17.453,1150 22.824,1151 8.637,1152 35.865,1153 16.858,1154 3812,1155 6725,1156 14.909,1157 23.387,1158 33.429,1159 34.347,1160 33.664,1161 32.87,1162 32.779,1163 42.568,1164 6.346,1165 92.025,1166 30.462,1167 5.623,1168 5.88,1169 6.519,1170 5.244,1171 5.174,1172 7.578,1173 3.135,1174 17.802,1175 5.069,1176 7.369,1177 1.52,1178 1.561,1179 1.53,1180 1.494,1181 1.49,1182 1.935,1183 0.288,1184 4.183,1185 1.385,1186 4.119,1187 4.151,1188 4.097,1189 4.022,1190 6.474,1191 4.032,1192 3.796,1193 3.851,1194 3.931,1195 3.609,1196 5.079,1197 3.603,1198 3.456,1199 3.504,1200 3.496,1201 3.3,1202 4.841,1203 3.309,1204 3.27,1205 3.319,1206 3.343,1207 3.161,1208 4.6,1209 3.095,1210 3.111,1211 3.206,1212 2.92,1213 2.941,1214 4.364,1215 2.91,1216 2.948,1217 3.005,1218 2.866,1219 2.819,1220 4.104,1221 2.81,1222 2.704,1223 2.795,1224 2.606,1225 2.355,1226 3.668,1227 2.387,1228 2.605,1229 2.632,1230 2.546,1231 2.306,1232 3.615,1233 2.337,1234 0.21,1235 0.176,1236 0.305,1237 0.188,1238 0.144,1239 4.623,1240 0.208,1241 3.88,1242 0.081,1243 6.717,1244 0.496,1245 4.141,1246 0.14,1247 3.174,1248 4.578,1249 1.78,1250 10.907,1251 3.069,1252 1.928,1253 1.903,1254 2.022,1255 2.013,1256 1.193,1257 2.017,1258 1.712,1259 1.658,1260 1.911,1261 1.954,1262 1.135,1263 1.947,1264 1.485,1265 1.444,1266 1.558,1267 1.743,1268 0.825,1269 1.693,1270 1.153,1271 1.108,1272 1.513,1273 1.394,1274 0.582,1275 1.429,1276 1.14,1277 1.064,1278 1.229,1279 1.376,1280 0.298,1281 1.367,1282 0.983,1283 0.945,1284 1.12,1285 1.153,1286 0.277,1287 1.16,1288 0.761,1289 0.7,1290 1.054,1291 0.985,1292 0.078,1293 1.012,1294 0.555,1295 0.462,1296 0.803,1297 0.931,1299 0.919,1300 3.807,1302 5.106,1303 2.398,1304 6.608,1305 4.844,1306 8.197,1307 7.018,1308 9.83,1314 9.871,1315 2.734,1318 5.258,1321 1.939,1326 22.336,1327 61.565,1328 126.974,1329 142.974,1330 150.974,1331 152.974,1332 152.974,1333 27.309,1334 6.593,1335 73.21,1336 105.3,1337 17,1338 12.15,1339 3.7,1340 3,1341 30.037,1342 63,1343 56,1344 0.238,1345 142.027,1346 238.83,1347 338.306,1348 5870,1350 13.949,1351 0.697,1352 0.578,1353 14.449,1354 11.56,1355 9.754,1356 0.443,1357 0.307,1358 6.243,1359 9.018,1360 6.129,1361 5.021,1362 10.043,1363 6.744,1364 8.538,1365 0.285,1366 0.16,1367 8.909,1368 4.815,1369 7.333,1370 0.183,1371 0.088,1372 7.713,1373 3.517,1374 6.06,1375 0.119,1376 0.046,1377 6.31,1378 2.348,1379 4.71,1380 0.08,1381 0.024,1382 4.924,1383 1.413,1384 0.369,1385 64.88,1386 0.259,1387 19.963,1388 0.659,1389 104,1390 336.014,1391 130.982,1392 342.809,1393 460.5,1394 320,1395 122,1396 323.571,1397 146.082,1398 332.275,1399 486.73,1400 312,1401 5.48}
{0 CHEMBL1558306,1 1.689,2 9.591,3 5.515,4 30.419,5 93.686,6 8.622,7 0.667,8 3.701,9 3.816,10 3.388,11 3.299,12 4.923,13 3.278,14 4.134,15 4.274,16 3.762,17 3.648,18 5.34,19 3.61,20 4.344,21 4.523,22 3.754,23 3.709,24 5.538,25 3.639,26 4.343,27 4.575,28 3.65,29 3.598,30 5.478,31 3.496,32 4.156,33 4.365,34 3.567,35 3.439,36 5.379,37 3.336,38 3.994,39 4.197,40 3.623,41 3.348,42 5.305,43 3.235,44 3.828,45 3.998,46 3.246,47 3.273,48 5.029,49 3.134,50 3.733,51 3.901,52 3.17,53 3.208,54 4.897,55 3.128,56 0.078,57 0.547,58 5.802,59 2.876,60 9.571,61 3.351,62 0.128,63 0.846,64 10.548,65 4.637,66 14.636,67 5.921,68 0.23,69 1.018,70 15.382,71 6.042,72 27.734,73 7.323,74 0.232,75 0.99,76 17.347,77 6.402,78 29.265,79 8.021,80 0.226,81 0.853,82 16.768,83 5.37,84 31.455,85 5.498,86 0.267,87 0.744,88 15.824,89 4.951,90 36.967,91 5.115,92 0.171,93 0.653,94 16.394,95 4.85,96 25.946,97 4.301,98 0.094,99 0.541,100 9.584,101 3.642,102 13.92,103 4.05,104 10,105 33,106 0.302,107 0.643,108 0.759,109 0.878,110 0.902,111 0.902,112 3.146,113 0.891,114 -4.42,115 -4.35,116 -4.1,120 44.4,121 1,143 8,144 2,145 2,153 1,154 1,160 1,167 1,174 9,177 1,180 1,181 1,182 4,185 10,189 2,192 3,194 5,197 5,201 5,204 2,206 5,209 1,214 7,219 3,227 5,231 2,232 1,240 2,245 2,247 2,257 5,260 4,269 4,271 8,274 600,275 14.792,276 14.792,277 14.792,278 14.792,279 14.792,280 12.546,281 14.041,282 8.823,283 15.105,284 11.865,285 11.865,286 11.865,287 11.865,288 11.865,289 8.487,290 16.224,291 4.217,292 12.406,293 3.481,294 1.577,295 0.931,296 0.264,297 0.132,298 0.132,299 3.827,306 1,307 1,308 455,309 3,312 48.573,313 134.615,316 91.408,320 1.393,321 16.494,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47,333 211,334 4.623,335 3.782,336 6.717,337 4.14,338 3.173,339 4.578,340 1.737,341 10.906,342 3.069,343 4.076,344 3.261,345 5.586,346 3.669,347 2.704,348 3.664,349 0.142,350 7.69,351 2.622,352 3.737,353 2.746,354 5.469,355 3.243,356 2.316,357 3.118,359 6.712,360 2.147,361 3.548,362 2.316,363 5.014,364 3.101,365 2.149,366 2.881,368 6.012,369 2.033,370 3.23,371 2.154,372 4.763,373 2.784,374 1.831,375 2.494,377 5.017,378 1.724,379 3.145,380 1.889,381 4.584,382 2.639,383 1.695,384 2.402,386 4.819,387 1.594,388 2.83,389 1.402,390 3.649,391 2.339,392 1.354,393 1.984,395 2.937,396 1.33,397 2.671,398 1.277,399 3.595,400 2.187,401 1.192,402 1.741,404 2.62,405 1.185,406 2.557,407 1.237,408 3.478,409 1.95,410 1,411 1.428,413 2.443,414 0.942,415 1.963,416 0.759,417 3.054,418 1.329,419 0.364,420 0.558,422 0.891,423 0.349,424 1.187,425 0.381,426 2.606,427 0.753,428 -0.172,429 -0.216,431 -0.439,432 -0.157,433 0.974,434 0.019,435 2.321,436 0.575,437 -0.384,438 -0.496,440 -0.886,441 -0.344,442 0.886,443 -0.132,444 2,445 0.482,446 -0.447,447 -0.572,449 -1.052,450 -0.433,451 0.648,452 -0.446,453 2,454 0.156,455 -0.816,456 -1.121,458 -2.04,459 -0.769,460 0.495,461 -0.77,462 2,463 -0.051,464 -1,465 -1.397,467 -2.436,468 -0.918,469 10.767,470 0.489,471 0.541,472 0.025,473 32.25,474 1.466,475 18.5,476 0.841,477 13.75,478 0.625,479 13.553,480 0.616,481 22.233,482 0.618,483 21.72,484 0.987,485 6.568,486 0.299,487 4.063,488 0.185,489 0.155,491 0.325,496 0.965,497 0.959,498 0.627,499 0.709,500 0.942,501 0.755,502 0.514,503 1.232,504 0.614,505 0.981,506 0.503,507 0.939,508 0.901,509 1.155,510 0.908,511 1.058,512 0.913,513 1.088,514 0.863,515 1.048,516 0.78,517 0.865,518 0.692,519 0.927,520 1.733,521 1.077,522 1.326,523 1.011,524 1.614,525 0.913,526 1.233,527 0.987,528 1.197,529 1.016,530 1.253,531 0.762,532 1.586,533 1.124,534 2.428,535 1.697,536 1.647,537 1.153,538 1.098,539 0.896,540 1.204,541 1.053,542 0.98,543 0.957,544 4.5,545 0.086,546 2.222,547 2.014,548 0.844,549 0.566,550 0.354,551 0.203,552 0.169,553 0.118,554 5299,555 15070,556 2.07,557 38.9,558 3,559 8,562 3,567 1.641,568 1.941,569 3.234,570 1.069,575 60.814,576 1.689,577 3.593,578 4.239,579 4.906,580 5.038,581 5.038,582 2.652,583 4.278,584 4.436,585 3.404,586 786.267,587 7.597,588 8880.32,593 186.117,594 1.395,595 4.392,596 0.188,597 0.006,598 0.067,599 0.065,600 0.032,601 0.026,602 0.017,603 0.012,604 0.009,605 0.007,606 0.429,607 0.33,608 1,609 0.595,610 102.296,611 -0.073,612 0.091,613 -0.004,614 0.078,615 -0.168,616 0.06,617 0.245,618 -0.223,619 0.099,620 -0.142,621 0.146,622 -0.063,623 0.099,624 -0.148,625 -0.074,626 -0.182,627 0.005,628 -0.188,629 0.112,630 -0.069,631 0.15,632 0.049,633 0.184,634 0.045,635 -0.34,636 0.016,637 -0.079,638 0.074,639 -0.227,640 0.018,641 0.104,642 0.12,643 0.264,644 0.219,645 0.154,646 0.218,647 -0.475,648 0.084,649 -0.672,650 -0.243,651 -0.467,652 -0.174,653 -0.202,654 0.127,655 -0.205,656 -0.039,657 -0.077,658 -0.019,659 1.691,660 3.9,661 0.682,662 15.934,663 1.006,664 1.117,665 3.189,666 10.169,667 0.72,668 3.219,669 3.526,670 3.761,671 4.025,672 4.159,673 4.111,674 4.094,675 4.174,676 4.007,677 4.06,678 5.86,679 0.684,680 310.41,681 3.219,682 4.745,683 5.58,684 6.45,685 7.303,686 8.179,687 9.04,688 9.919,689 10.784,690 11.665,691 11.1,698 1,699 1,704 2,708 2,709 8,711 1,714 4,716 16,734 1,738 36,739 18,740 2,741 24,743 38,744 16,745 14,746 4,747 8,748 1,752 3,753 4,759 1,768 15,769 1,772 2,779 1,781 2,782 1,789 14,790 4,791 3,792 6,793 1,797 4,802 1,803 0.667,804 1,818 1,822 1,823 2,826 1,855 2,857 1,859 1,862 22,868 1,871 1,886 2.8,888 1,893 11.333,894 6.683,895 4.833,896 1.975,898 3.622,899 1.536,900 0.983,901 4.179,902 10.384,903 3.555,904 4.186,905 4.791,906 5.414,907 5.904,908 6.128,909 6.444,910 6.823,911 6.752,912 7.048,913 1,914 31,915 8.043,917 3.363,918 7.788,919 15.136,921 12.042,924 2.288,925 50.333,929 129.482,930 143.528,931 68.122,933 42.683,935 45.192,936 98.336,937 172.165,938 68.122,939 8.825,940 18.011,941 75.81,942 42.683,943 28.058,944 35.755,945 129.482,946 45.192,947 129.482,948 166.458,949 42.683,950 45.192,952 129.482,953 42.683,956 43.621,957 89.511,958 33.326,959 45.192,960 129.482,961 110.806,962 143.528,965 129.482,966 13.701,967 84.635,968 34.796,969 121.201,970 129.482,971 110.806,972 143.528,973 0.578,974 0.33,975 0.184,976 0.097,977 16,978 7,979 0.079,980 3,981 1,982 1.133,983 3.505,984 166.121,985 0.133,986 15,987 96.107,990 1,993 14.693,994 6.258,995 3.347,996 1.591,997 94.02,998 15.265,1000 2.846,1003 2.332,1005 77.48,1006 383.816,1007 34,1014 5.155,1016 8.02,1017 0.232,1020 36.229,1021 40.199,1022 0.327,1023 0.695,1024 0.82,1025 0.949,1026 0.974,1027 0.974,1028 4.762,1029 1.192,1030 5.557,1031 2.937,1032 4.205,1033 4.871,1034 1.812,1035 6.34,1036 4.121,1037 5.986,1038 1,1039 7.096,1040 2.62,1041 3.761,1042 4.677,1043 1.305,1044 7.182,1045 3.609,1046 7.294,1047 0.364,1048 8.735,1049 2.443,1050 5.765,1051 7.129,1052 2.595,1053 10.289,1054 5.609,1055 8.639,1056 -0.172,1057 10.434,1058 0.891,1059 6.133,1060 7.789,1061 2.523,1062 12.027,1063 5.919,1064 10.016,1065 -0.384,1066 12.174,1067 -0.439,1068 7.621,1069 9.703,1070 3.533,1071 14.653,1072 7.4,1073 11.419,1074 -0.447,1075 13.944,1076 -0.886,1077 8.392,1078 10.803,1079 3.713,1080 16.782,1081 8.125,1082 12.843,1083 -0.816,1084 15.739,1085 -1.052,1086 9.664,1087 12.483,1088 4.544,1089 19.248,1090 9.383,1091 3.173,1092 -1,1093 17.553,1094 -2.04,1095 10.633,1096 13.804,1097 4.876,1098 21.537,1099 10.312,1100 2.704,1101 10.906,1102 19.383,1103 -2.436,1104 11.819,1105 15.385,1106 5.595,1107 23.95,1108 11.476,1109 2.316,1110 7.69,1111 21.226,1112 4.578,1113 12.881,1114 16.812,1115 6.017,1116 26.301,1117 12.502,1118 2.149,1119 6.712,1120 23.081,1121 3.664,1122 14.036,1123 18.353,1124 6.669,1125 28.697,1126 13.631,1127 1.831,1128 6.012,1129 24.944,1130 3.118,1131 15.143,1132 19.829,1133 7.143,1134 31.071,1135 14.703,1136 1.695,1137 5.017,1138 26.815,1139 2.881,1140 16.288,1141 21.355,1142 7.755,1143 33.462,1144 15.819,1145 1.354,1146 4.819,1147 28.693,1148 2.494,1149 17.416,1150 22.854,1151 8.261,1152 35.845,1153 16.913,1154 5116,1155 8775,1156 16.008,1157 25.932,1158 36.427,1159 36.962,1160 36.817,1161 35.678,1162 35.557,1163 49.695,1164 3.759,1165 100.094,1166 33.991,1167 5.409,1168 5.782,1169 6.398,1170 5.19,1171 5.173,1172 7.578,1173 3.075,1174 17.8,1175 5.069,1176 9.986,1177 1.518,1178 1.54,1179 1.534,1180 1.487,1181 1.482,1182 2.071,1183 0.157,1184 4.171,1185 1.416,1186 4.119,1187 4.152,1188 4.098,1189 4.023,1190 6.474,1191 4.033,1192 3.925,1193 3.959,1194 3.944,1195 3.86,1196 5.098,1197 3.854,1198 3.498,1199 3.55,1200 3.762,1201 3.387,1202 4.857,1203 3.351,1204 3.368,1205 3.419,1206 3.346,1207 3.249,1208 4.724,1209 3.224,1210 3.151,1211 3.235,1212 2.987,1213 3.009,1214 4.383,1215 2.98,1216 2.974,1217 3.046,1218 2.92,1219 2.822,1220 4.106,1221 2.821,1222 2.825,1223 2.891,1224 2.761,1225 2.715,1226 3.909,1227 2.689,1228 2.606,1229 2.635,1230 2.605,1231 2.343,1232 3.749,1233 2.361,1234 0.193,1235 0.158,1236 0.28,1237 0.173,1238 0.132,1239 4.623,1240 0.191,1241 3.782,1242 0.072,1243 6.717,1244 0.454,1245 4.14,1246 0.128,1247 3.173,1248 4.578,1249 1.737,1250 10.906,1251 3.069,1252 1.928,1253 1.904,1254 2.035,1255 2.015,1256 1.136,1257 2.022,1258 1.913,1259 1.884,1260 2.022,1261 2.003,1262 1.131,1263 2.013,1264 1.502,1265 1.46,1266 1.57,1267 1.756,1268 0.617,1269 1.706,1270 1.298,1271 1.253,1272 1.545,1273 1.518,1274 0.581,1275 1.526,1276 1.156,1277 1.088,1278 1.289,1279 1.374,1280 0.302,1281 1.396,1282 1.013,1283 0.96,1284 1.189,1285 1.197,1286 0.277,1287 1.202,1288 0.805,1289 0.754,1290 1.06,1291 0.986,1292 0.079,1293 1.018,1294 0.753,1295 0.696,1296 0.974,1297 0.975,1298 0.031,1299 0.984,1300 3.892,1302 5.198,1303 2.398,1304 6.691,1305 4.844,1306 8.269,1307 7.018,1308 9.892,1310 2,1314 9.9,1317 2.992,1326 24.622,1327 60.814,1328 129.362,1329 152.608,1330 176.608,1331 181.362,1332 181.362,1333 29.728,1334 6.762,1335 72.77,1336 104.86,1337 17,1338 12.203,1339 4.248,1340 3.459,1341 34.657,1342 79,1343 64,1344 0.217,1345 158.025,1346 263.12,1347 377.342,1348 7561,1350 15.527,1351 0.706,1352 0.577,1353 16.027,1354 12.685,1355 10.631,1356 0.443,1357 0.297,1358 6.683,1359 10.061,1360 6.466,1361 5.418,1362 10.92,1363 7.132,1364 9.641,1365 0.292,1366 0.159,1367 10.05,1368 5.254,1369 7.697,1370 0.183,1371 0.08,1372 7.959,1373 3.353,1374 6.603,1375 0.12,1376 0.043,1377 6.853,1378 2.34,1379 5.001,1380 0.079,1381 0.022,1382 5.204,1383 1.412,1384 0.343,1385 68.975,1386 0.25,1387 21.923,1388 0.584,1389 114,1390 330.966,1391 137.743,1392 353.74,1393 481.4,1394 328,1395 132,1396 349.371,1397 150.644,1398 364.876,1399 527.11,1400 342,1401 5.073}
{0 CHEMBL1558837,1 1.716,2 11.652,3 3.546,4 12.571,5 93.861,6 8.084,7 0.5,8 3.794,9 3.915,10 3.417,11 3.344,12 4.979,13 3.314,14 4.261,15 4.429,16 3.74,17 3.648,18 5.418,19 3.604,20 4.443,21 4.631,22 3.766,23 3.749,24 5.645,25 3.669,26 4.493,27 4.732,28 3.641,29 3.702,30 5.568,31 3.581,32 4.42,33 4.666,34 3.722,35 3.658,36 5.56,37 3.509,38 4.327,39 4.57,40 3.415,41 3.524,42 5.419,43 3.358,44 4.106,45 4.347,46 3.331,47 3.383,48 5.11,49 3.255,50 4.092,51 4.295,52 3.352,53 3.41,54 5.189,55 3.284,56 0.064,57 0.648,58 7.534,59 3.689,60 7.19,61 4.515,62 0.177,63 0.985,64 15.02,65 5.762,66 20.035,67 7.317,68 0.318,69 1.22,70 20.11,71 7.076,72 37.599,73 8.538,74 0.312,75 1.196,76 21.846,77 7.733,78 41.309,79 9.492,80 0.289,81 1.147,82 23.425,83 7.956,84 46.32,85 9.705,86 0.37,87 0.994,88 25.31,89 7.192,90 46.741,91 8.184,92 0.188,93 0.757,94 15.541,95 5.573,96 21.504,97 7.15,98 0.21,99 0.789,100 15.632,101 5.795,102 23.29,103 6.796,104 18,105 31,106 0.304,107 0.629,108 0.77,109 0.856,110 0.865,111 0.865,112 3.186,113 0.933,114 -4.83,115 -4.74,116 -4.45,120 41.5,121 1,122 1,125 1,143 8,144 1,145 3,157 1,160 1,170 1,174 8,177 4,181 1,182 1,185 9,189 3,192 1,194 4,197 6,201 3,206 3,209 2,214 4,219 6,222 2,227 2,232 4,239 1,240 2,245 2,247 2,255 1,257 2,260 5,271 6,274 751,275 15.37,276 15.37,277 15.37,278 15.37,279 15.37,280 13.35,281 18.05,282 9.284,283 15.829,284 11.771,285 11.771,286 11.771,287 11.771,288 11.771,289 8.856,290 20.613,291 4.361,292 12.447,293 3.641,294 1.805,295 1.012,296 0.525,297 0.476,298 0.476,299 3.849,305 1,306 1,307 1,308 553,309 3.606,313 179.841,320 1.841,321 20.473,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 50,333 268,334 4.186,335 3.788,336 6.052,337 3.775,338 2.832,339 3.787,340 1.737,341 8.693,342 2.667,343 4.068,344 3.154,345 5.554,346 3.678,347 2.697,348 3.651,349 1.6,350 7.57,351 2.647,352 3.782,353 3.101,354 5.235,355 3.352,356 2.41,357 3.078,358 0.86,359 6.624,360 2.27,361 3.546,362 2.831,363 5.021,364 3.117,365 2.216,366 2.769,367 0.219,368 6.001,369 1.989,370 3.328,371 2.365,372 4.707,373 2.858,374 1.912,375 2.549,376 0.142,377 5.175,378 1.786,379 2.877,380 1.893,381 4.101,382 2.396,383 1.414,384 2.042,386 3.621,387 1.382,388 2.811,389 1.503,390 3.597,391 2.358,392 1.409,393 1.922,395 2.964,396 1.323,397 2.5,398 1.216,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 1.823,407 1.065,408 3.149,409 1.584,410 0.654,411 0.728,413 1.408,414 0.6,415 1.617,416 1,417 2.822,418 1.398,419 0.492,420 0.535,422 0.85,423 0.442,424 1.394,425 0.64,426 2.561,427 0.962,428 0.065,429 0.081,431 0.143,432 0.057,433 1.044,434 0.375,435 2.166,436 0.771,437 -0.18,438 -0.206,440 -0.354,441 -0.169,442 0.785,443 0.184,444 2,445 0.309,446 -0.596,447 -0.752,449 -1.396,450 -0.515,451 0.567,452 -0.221,453 2,454 0.115,455 -0.846,456 -0.98,458 -1.907,459 -0.787,460 0.5,461 -0.364,462 1.752,464 -1,465 -1.29,467 -2.361,468 -0.863,469 11.152,470 0.485,471 0.506,472 0.022,473 29.25,474 1.272,475 15.5,476 0.674,477 13.75,478 0.598,479 16.82,480 0.731,481 24.848,482 0.606,483 20.586,484 0.895,485 6.317,486 0.275,487 4.763,488 0.207,489 0.19,491 0.269,494 1,496 0.71,497 0.979,498 0.652,499 0.882,500 0.591,501 0.908,502 0.889,503 1.094,504 0.696,505 0.953,506 0.653,507 0.928,508 1.068,509 1.119,510 1.092,511 1.118,512 1.005,513 1.119,514 1.172,515 1.042,516 0.921,517 0.861,518 1.171,519 0.974,520 0.641,521 1.041,522 0.927,523 1.055,524 0.683,525 0.978,526 1.025,527 0.89,528 1.705,529 1.29,530 0.923,531 1.064,532 0.571,533 0.803,534 0.843,535 0.876,536 0.473,537 0.878,538 0.931,539 0.992,540 1.139,541 1.083,542 0.83,543 1.047,544 5,545 0.066,546 2.222,547 1.125,548 1.284,549 0.354,550 0.405,551 0.274,552 0.123,553 0.162,554 6104,555 19152,556 1.971,557 43.9,559 11,562 2,563 5,567 1.65,568 1.84,569 3.496,570 0.321,572 1,574 1,575 70.359,576 1.716,577 3.553,578 4.345,579 4.833,580 4.882,581 4.882,582 2.947,583 4.176,584 4.497,585 3.667,586 927.782,587 7.704,588 11310,589 1,590 1,592 1,593 219.66,594 1.41,595 4.449,596 0.208,597 0.004,598 0.072,599 0.038,600 0.051,601 0.015,602 0.021,603 0.014,604 0.006,605 0.011,606 0.441,607 0.17,608 1,609 0.832,610 111.116,611 -0.002,612 0.01,613 0.015,614 -0.012,615 -0.051,616 0.002,617 -0.004,618 -0.16,619 0.09,620 -0.06,621 0.033,622 0.004,623 -0.042,624 -0.065,625 -0.165,626 -0.173,627 -0.026,628 -0.199,629 -0.149,630 -0.03,631 -0.009,632 0.052,633 -0.107,634 -0.021,635 0.122,636 -0.106,637 0.191,638 -0.001,639 0.157,640 0.028,641 -0.119,642 0.069,643 -0.308,644 -0.099,645 -0.101,646 -0.078,647 0.086,648 0.022,649 0.126,650 0.095,651 0.09,652 0.12,653 -0.022,654 -0.065,655 -0.081,656 -0.028,657 -0.016,658 -0.055,659 2.032,660 5.502,661 0.522,662 20.594,663 1.007,664 1.129,665 3.603,666 12.981,667 0.687,668 3.219,669 3.466,670 3.611,671 3.738,672 3.892,673 3.689,674 3.689,675 3.638,676 3.466,677 3.526,678 6.804,679 0.648,680 331.45,681 3.219,682 4.71,683 5.501,684 6.326,685 7.133,686 7.958,687 8.77,688 9.593,689 10.409,690 11.231,691 7.3,698 2,700 1,709 8,714 4,716 12,735 1,737 1,738 41,739 14,740 2,741 24,743 42,744 17,745 12,746 4,747 8,752 2,753 2,755 1,757 1,759 1,766 1,768 14,769 3,772 2,779 1,781 1,782 2,785 1,786 1,787 1,789 18,790 5,791 2,792 6,793 1,797 3,803 1,804 1,823 2,855 2,857 1,859 2,861 1,862 23,869 1,871 2,872 1,885 1,886 2.4,891 1,893 12.5,894 7.843,895 5.278,896 2.191,898 2.547,899 1.402,900 0.951,901 6.502,902 8.884,903 3.497,904 4.025,905 4.443,906 4.903,907 5.376,908 5.21,909 5.371,910 5.537,911 5.494,912 5.751,913 0.875,914 30,915 8.432,917 3.377,918 7.877,919 15.788,921 11.951,924 2.377,925 54.667,928 1,929 188.338,930 166.593,931 52.562,933 11,934 14.96,935 45.192,936 121.401,937 199.338,938 67.522,939 19.708,940 38.434,941 75.81,942 2.757,943 47.97,944 15.245,945 188.338,946 45.192,947 188.338,948 173.963,949 25.96,950 45.192,952 203.298,953 11,956 63.922,957 110.041,959 45.192,960 203.298,961 63.562,962 166.593,965 188.338,966 25.883,967 95.518,968 35.899,969 87.815,970 188.338,971 78.522,972 166.593,973 0.565,974 0.317,975 0.157,976 0.087,977 12,978 6,979 0.119,980 5,982 1,983 3.623,984 160.638,986 12,987 100.042,990 1,993 17.381,994 8.604,995 5.62,997 78.522,998 14.086,1003 1.877,1005 35.899,1006 433.452,1007 32,1014 5.099,1016 4.197,1017 1.094,1020 41.291,1021 46.286,1022 0.32,1023 0.663,1024 0.811,1025 0.902,1026 0.911,1027 0.911,1028 4.682,1029 1,1030 5.451,1031 2.964,1032 4.143,1033 4.71,1034 2.476,1035 6.142,1036 4.04,1037 5.865,1038 0.654,1039 6.942,1040 2.275,1041 3.611,1042 4.369,1043 1.822,1044 6.804,1045 3.408,1046 7.14,1047 0.492,1048 8.525,1049 1.408,1050 5.631,1051 6.792,1052 3.117,1053 9.792,1054 5.439,1055 8.445,1056 0.065,1057 10.158,1058 0.85,1059 5.861,1060 7.18,1061 3.064,1062 11.228,1063 5.563,1064 9.773,1065 -0.18,1066 11.824,1067 0.143,1068 7.351,1069 9.107,1070 3.976,1071 13.716,1072 7.073,1073 11.118,1074 -0.596,1075 13.512,1076 -0.354,1077 7.948,1078 9.858,1079 4.193,1080 15.502,1081 7.574,1082 12.474,1083 -0.846,1084 15.216,1085 -1.396,1086 9.197,1087 11.547,1088 4.935,1089 17.793,1090 8.834,1091 2.832,1092 -1,1093 16.932,1094 -1.907,1095 9.988,1096 12.507,1097 5.288,1098 19.756,1099 9.541,1100 2.697,1101 8.693,1102 18.659,1103 -2.361,1104 11.119,1105 14.06,1106 5.942,1107 21.961,1108 10.67,1109 2.41,1110 7.57,1111 20.393,1112 3.787,1113 12.015,1114 15.149,1115 6.37,1116 24.015,1117 11.494,1118 2.216,1119 6.624,1120 22.135,1121 3.651,1122 13.088,1123 16.617,1124 6.975,1125 26.186,1126 12.552,1127 1.912,1128 6.001,1129 23.884,1130 3.078,1131 14.042,1132 17.788,1133 7.446,1134 28.286,1135 13.441,1136 1.414,1137 5.175,1138 25.637,1139 2.769,1140 15.087,1141 19.203,1142 8.024,1143 30.444,1144 14.461,1145 1.409,1146 3.621,1147 27.396,1148 2.549,1149 16.072,1150 20.427,1151 8.52,1152 32.569,1153 15.387,1154 6114,1155 10971,1156 15.603,1157 28.148,1158 34.529,1159 35.788,1160 35.636,1161 34.238,1162 34.2,1163 45.284,1164 9.116,1165 90.649,1166 32.324,1167 5.028,1168 5.788,1169 5.74,1170 4.803,1171 4.832,1172 6.787,1173 3.075,1174 14.771,1175 4.667,1176 12.207,1177 1.439,1178 1.491,1179 1.485,1180 1.427,1181 1.425,1182 1.887,1183 0.38,1184 3.777,1185 1.347,1186 3.952,1187 3.984,1188 3.978,1189 3.874,1190 8.201,1191 3.872,1192 3.902,1193 3.932,1194 3.862,1195 3.824,1196 4.955,1197 3.823,1198 3.618,1199 3.68,1200 3.761,1201 3.457,1202 4.857,1203 3.45,1204 3.353,1205 3.405,1206 3.445,1207 3.286,1208 4.643,1209 3.212,1210 3.227,1211 3.298,1212 3.06,1213 2.968,1214 4.51,1215 2.973,1216 2.905,1217 2.993,1218 2.853,1219 2.735,1220 4.328,1221 2.736,1222 2.892,1223 2.964,1224 2.761,1225 2.733,1226 3.767,1227 2.715,1228 2.854,1229 2.936,1230 2.687,1231 2.716,1232 3.674,1233 2.695,1234 0.174,1235 0.158,1236 0.252,1237 0.157,1238 0.118,1239 4.186,1240 0.158,1241 3.788,1242 0.072,1243 6.052,1244 0.362,1245 3.775,1246 0.111,1247 2.832,1248 3.787,1249 1.737,1250 8.693,1251 2.667,1252 1.917,1253 1.893,1254 2.035,1255 2.016,1256 1.188,1257 2.022,1258 1.878,1259 1.85,1260 1.98,1261 1.985,1262 1.047,1263 1.986,1264 1.558,1265 1.501,1266 1.763,1267 1.772,1268 0.849,1269 1.769,1270 1.273,1271 1.234,1272 1.569,1273 1.519,1274 0.58,1275 1.533,1276 1.187,1277 1.112,1278 1.346,1279 1.451,1280 0.474,1281 1.474,1282 0.937,1283 0.842,1284 1.309,1285 1.177,1286 0.353,1287 1.232,1288 0.886,1289 0.821,1290 1.181,1291 1.078,1292 0.218,1293 1.107,1294 0.863,1295 0.806,1296 1.125,1297 1.068,1298 0.16,1299 1.089,1300 3.892,1302 5.153,1304 6.597,1306 8.119,1308 9.678,1310 3.526,1312 13.502,1315 0.68,1317 5.484,1318 5.121,1326 26.564,1327 70.359,1328 145.66,1329 178.15,1330 198.15,1331 200.15,1332 200.15,1333 42.725,1334 6.337,1335 45.65,1336 77.74,1337 12,1338 11.811,1339 3.907,1340 3.17,1341 45.689,1342 95,1343 92,1344 0.232,1345 172.343,1346 301.39,1347 412.276,1348 4476,1349 2.4,1350 16.656,1351 0.724,1352 0.599,1353 16.286,1354 13.784,1355 11.08,1356 0.462,1357 0.311,1358 6.98,1359 10.363,1360 6.707,1361 5.653,1362 10.958,1363 7.467,1364 9.576,1365 0.309,1366 0.172,1367 9.466,1368 5.326,1369 7.426,1370 0.206,1371 0.091,1372 7.154,1373 3.283,1374 5.509,1375 0.134,1376 0.051,1377 5.491,1378 2.093,1379 4.411,1380 0.092,1381 0.029,1382 4.375,1383 1.371,1384 0.377,1385 72.663,1386 0.253,1387 23.315,1388 0.597,1389 110,1390 393.018,1391 136.184,1392 378.963,1393 496.53,1394 352,1395 122,1396 337.955,1397 142.316,1398 347.558,1399 492.81,1400 323,1401 4.014}
{0 CHEMBL1559129,1 1.829,2 15,3 2.601,4 6.764,5 100.191,6 9.095,7 0.387,8 3.942,9 4.025,10 3.634,11 3.42,12 5.312,13 3.47,14 4.408,15 4.513,16 3.96,17 3.696,18 5.917,19 3.743,20 4.639,21 4.794,22 3.996,23 3.734,24 6.177,25 3.777,26 4.591,27 4.761,28 3.851,29 3.614,30 6.058,31 3.672,32 4.498,33 4.627,34 3.965,35 3.525,36 6.441,37 3.603,38 4.449,39 4.611,40 3.688,41 3.447,42 5.955,43 3.493,44 4.324,45 4.474,46 3.599,47 3.353,48 5.76,49 3.423,50 4.213,51 4.319,52 3.762,53 3.336,54 6.227,55 3.408,56 0.31,57 0.749,58 5.753,59 4.094,60 38.808,61 3.871,62 0.772,63 1.1,64 11.734,65 6.294,66 72.692,67 6.257,68 1.244,69 1.35,70 19.503,71 7.236,72 149.991,73 7.289,74 1.171,75 1.228,76 20.615,77 7.211,78 174.406,79 6.814,80 1.391,81 0.987,82 17.318,83 6.383,84 224.101,85 6.745,86 1.18,87 0.885,88 18.458,89 6.231,90 160.747,91 6.16,92 0.922,93 0.752,94 16.157,95 5.295,96 126.239,97 4.956,98 1.07,99 0.765,100 12.203,101 4.884,102 164.967,103 5.01,104 37,105 40,106 0.312,107 0.597,108 0.683,109 0.743,110 0.757,111 0.757,112 3.439,113 0.818,114 -3.83,115 -3.79,116 -3.6,120 43.5,126 2,136 2,143 8,145 4,159 4,174 7,176 2,177 4,180 2,182 2,185 4,188 2,189 4,192 2,194 4,197 2,201 2,206 2,213 6,214 8,217 2,219 2,227 8,232 2,240 4,247 2,251 4,252 4,255 4,260 6,264 2,271 6,274 1656,275 19.69,276 19.69,277 19.69,278 19.69,279 19.69,280 17.357,281 19.425,282 11.987,283 20.036,284 15.271,285 15.271,286 15.271,287 15.271,288 15.271,289 11.671,290 19.785,291 5.737,292 15.817,293 3.695,294 2.027,295 1.522,296 1.174,297 1.087,298 1.087,299 4.104,306 1,307 1,308 926,309 4.69,313 258.184,320 2.4,321 62.423,324 1,325 0.83,326 0.83,327 0.4,329 1,330 1,331 0.72,332 70,333 450,334 4.186,335 3.687,336 6.052,337 3.787,338 2.832,339 3.787,340 2.061,341 8.693,342 2.695,343 4.185,344 3.663,345 6.052,346 3.786,347 2.831,348 3.787,349 2.061,350 8.693,351 2.694,352 3.869,353 3.53,354 5.192,355 3.476,356 2.5,357 3.159,358 1.622,359 6.494,360 2.419,361 3.661,362 3.474,363 5.078,364 3.324,365 2.352,366 2.854,367 1.622,368 6.168,369 2.269,370 3.563,371 3.089,372 4.936,373 3.194,374 2.184,375 2.762,376 0.313,377 5.778,378 2.185,379 3.449,380 3.088,381 4.801,382 3.057,383 2.053,384 2.612,385 0.313,386 5.437,387 2.029,388 2.878,389 1.883,390 4.107,391 2.408,392 1.42,393 2.044,395 3.64,396 1.401,397 2.877,398 1.883,399 4.1,400 2.404,401 1.414,402 2.043,404 3.619,405 1.398,406 2.814,407 1.718,408 3.598,409 2.368,410 1.414,411 1.929,413 2.966,414 1.332,415 2.812,416 1.714,417 3.597,418 2.366,419 1.408,420 1.925,422 2.964,423 1.331,424 2.383,425 1.497,426 3.285,427 1.757,428 0.836,429 1.084,431 1.911,432 0.757,433 1.745,434 1.497,435 3.031,436 1.446,437 0.53,438 0.593,440 1.205,441 0.475,442 1.7,443 1.091,444 2.757,445 1.227,446 0.236,447 0.32,449 0.525,450 0.227,451 1.393,452 0.658,453 2.461,454 0.996,455 0.05,456 0.062,458 0.11,459 0.046,460 1.392,461 0.648,462 2.148,463 0.975,469 13.371,470 0.446,471 0.74,472 0.025,473 39.5,474 1.317,475 20.5,476 0.683,477 19,478 0.633,479 19.722,480 0.657,481 33.429,482 0.727,483 34.551,484 1.152,485 8.817,486 0.294,487 5.529,488 0.184,489 0.142,491 0.299,494 2,496 0.691,497 1.048,498 0.623,499 1.107,500 0.578,501 0.911,502 0.748,503 1.144,504 0.808,505 1.195,506 0.628,507 1.099,508 1.026,509 0.986,510 1.077,511 0.979,512 1.082,513 1.03,514 1.403,515 1.147,516 1.201,517 1.018,518 1.366,519 0.991,520 0.723,521 0.932,522 0.805,523 1.026,524 0.773,525 0.982,526 1.21,527 0.828,528 1.151,529 0.959,530 1.243,531 0.997,532 1.363,533 0.704,534 1.093,535 0.796,536 1.184,537 0.804,538 0.606,539 0.804,540 0.727,541 0.882,542 0.69,543 0.894,544 6.5,545 0.207,546 3.333,547 1.5,548 1.804,549 0.514,550 0.405,551 0.493,552 0.181,553 0.162,554 13755,555 55888,556 1.94,557 34.8,559 14,562 2,567 1.72,568 1.8,569 3.828,570 0.309,571 1,572 1,575 84.136,576 1.829,577 3.497,578 4.002,579 4.35,580 4.437,581 4.437,582 3.19,583 3.907,584 4.883,585 4.066,586 1768.83,587 8.467,588 27967.6,590 1,592 1,593 254.084,594 1.457,595 4.825,596 0.21,597 0.009,598 0.083,599 0.038,600 0.053,601 0.014,602 0.014,603 0.018,604 0.006,605 0.007,606 0.454,607 0.33,608 1,609 0.628,610 161.326,611 -0.074,612 -0.085,613 0.006,614 -0.069,615 -0.057,616 -0.007,617 0.053,618 -0.218,619 -0.026,620 -0.196,621 0.028,622 -0.18,623 -0.044,624 0.016,625 -0.12,626 -0.035,627 -0.115,628 -0.097,629 -0.313,630 -0.081,631 -0.166,632 -0.051,633 -0.264,634 -0.023,635 0.379,636 -0.018,637 0.192,638 -0.075,639 0.386,640 -0.051,641 -0.126,642 0.065,643 -0.101,644 -0.001,645 -0.184,646 -0.015,647 -0.334,648 -0.023,649 -0.071,650 0.133,651 -0.239,652 0.16,653 0.485,654 0.101,655 0.211,656 0.082,657 0.473,658 0.008,659 2.702,660 5.398,661 0.4,662 35.413,663 1.049,664 1.136,665 2.601,666 6.763,667 0.667,668 3.466,669 3.714,670 3.829,671 3.932,672 4.078,673 3.807,674 3.784,675 3.85,676 3.689,677 3.664,678 8.969,679 0.681,680 418.38,681 3.466,682 4.963,683 5.746,684 6.567,685 7.367,686 8.185,687 8.992,688 9.808,689 10.618,690 11.433,691 4.3,698 2,709 8,714 4,716 12,737 2,738 46,739 17,740 2,741 31,743 47,744 20,745 12,746 4,747 8,748 4,752 2,753 2,768 18,769 2,772 5,778 4,780 2,782 4,786 1,787 2,789 16,790 10,791 2,792 10,797 2,803 1,804 6,823 2,838 2,841 2,845 2,855 2,861 2,862 30,869 2,871 2,872 2,885 2,886 13,889 4,891 2,893 16.667,894 8.119,895 6.806,896 2.391,898 2.346,899 1.35,900 0.929,901 8.82,902 9.053,903 3.761,904 4.248,905 4.63,906 5.002,907 5.456,908 5.162,909 5.197,910 5.451,911 5.297,912 5.349,913 0.9,914 39,915 11.187,917 4.792,918 8.578,919 19.454,921 14.631,924 3.078,925 92.333,928 1,929 164.795,930 151.495,931 36.022,933 122.579,934 29.92,936 151.495,937 287.375,938 65.942,940 45.206,941 94.762,942 124.372,943 45.755,944 29.92,945 164.795,947 164.795,948 187.516,949 152.5,952 194.716,953 122.579,956 45.206,957 123.357,958 18.952,960 194.716,961 158.601,962 151.495,965 164.795,966 56.732,967 94.762,968 36.022,969 152.5,970 164.795,971 188.521,972 151.495,973 0.569,974 0.311,975 0.15,976 0.086,977 14,978 8,979 0.213,980 10,982 1,983 4.297,984 225.455,986 12,987 117.207,993 22.882,994 11.563,995 8.251,997 188.521,998 10.849,1003 -1.463,1005 36.022,1006 504.811,1007 42,1013 46.226,1015 1.376,1017 -3.638,1020 48.262,1021 52.254,1022 0.331,1023 0.633,1024 0.725,1025 0.787,1026 0.803,1027 0.803,1028 4.956,1029 1.414,1030 5.7,1031 3.64,1032 4.394,1033 4.934,1034 3.283,1035 6.385,1036 4.322,1037 6.134,1038 1.414,1039 7.192,1040 3.619,1041 3.892,1042 4.635,1043 2.179,1044 7.05,1045 3.8,1046 7.405,1047 1.408,1048 8.778,1049 2.966,1050 5.878,1051 6.973,1052 4.39,1053 10.051,1054 5.728,1055 8.703,1056 0.836,1057 10.418,1058 2.964,1059 6.133,1060 7.414,1061 3.874,1062 11.52,1063 5.942,1064 10.027,1065 0.53,1066 12.093,1067 1.911,1068 7.601,1069 9.268,1070 5.617,1071 14.029,1072 7.366,1073 11.368,1074 0.236,1075 13.793,1076 1.205,1077 8.223,1078 10.074,1079 5.439,1080 15.86,1081 7.928,1082 12.723,1083 0.05,1084 15.511,1085 0.525,1086 9.461,1087 11.711,1088 6.909,1089 18.174,1090 9.129,1091 2.832,1093 17.243,1094 0.11,1095 10.274,1096 12.721,1097 6.96,1098 20.179,1099 9.876,1100 2.831,1101 8.693,1102 18.987,1104 11.401,1105 14.239,1106 8.242,1107 22.408,1108 10.967,1109 2.5,1110 8.693,1111 20.741,1112 3.787,1113 12.316,1114 15.371,1115 8.46,1116 24.496,1117 11.815,1118 2.352,1119 6.494,1120 22.502,1121 3.787,1122 13.391,1123 16.819,1124 9.606,1125 26.688,1126 12.851,1127 2.184,1128 6.168,1129 24.27,1130 3.159,1131 14.361,1132 18.025,1133 9.947,1134 28.815,1135 13.756,1136 2.053,1137 5.778,1138 26.043,1139 2.854,1140 15.412,1141 19.43,1142 10.992,1143 30.991,1144 14.764,1145 1.42,1146 5.437,1147 27.82,1148 2.762,1149 16.412,1150 20.682,1151 11.425,1152 33.137,1153 15.703,1154 13642,1155 27671,1156 19.879,1157 30.705,1158 45.171,1159 47.835,1160 46.074,1161 44.112,1162 44.123,1163 57.922,1164 15.983,1165 116.406,1166 42.518,1167 5.103,1168 5.687,1169 5.74,1170 4.866,1171 4.832,1172 6.787,1173 3.862,1174 14.77,1175 4.695,1176 18.008,1177 1.457,1178 1.543,1179 1.486,1180 1.423,1181 1.423,1182 1.868,1183 0.516,1184 3.755,1185 1.372,1186 3.939,1187 3.97,1188 3.891,1189 3.84,1190 8.203,1191 3.845,1192 3.906,1193 3.938,1194 3.859,1195 3.815,1196 8.199,1197 3.819,1198 3.736,1199 3.737,1200 3.686,1201 3.55,1202 7.444,1203 3.579,1204 3.57,1205 3.586,1206 3.505,1207 3.309,1208 7.431,1209 3.353,1210 3.46,1211 3.491,1212 3.39,1213 3.245,1214 7.426,1215 3.275,1216 3.165,1217 3.157,1218 3.139,1219 2.842,1220 7.424,1221 2.908,1222 2.93,1223 2.996,1224 2.845,1225 2.739,1226 4.678,1227 2.748,1228 2.904,1229 2.958,1230 2.836,1231 2.733,1232 4.657,1233 2.735,1234 0.135,1235 0.119,1236 0.195,1237 0.122,1238 0.091,1239 4.186,1240 0.122,1241 3.687,1242 0.066,1243 6.052,1244 0.28,1245 3.787,1246 0.087,1247 2.832,1248 3.787,1249 2.061,1250 8.693,1251 2.695,1252 1.88,1253 1.852,1254 1.985,1255 1.999,1256 1.05,1257 1.993,1258 1.879,1259 1.851,1260 1.984,1261 1.997,1262 1.05,1263 1.992,1264 1.628,1265 1.62,1266 1.753,1267 1.844,1268 0.778,1269 1.809,1270 1.442,1271 1.418,1272 1.62,1273 1.722,1274 0.742,1275 1.686,1276 1.372,1277 1.336,1278 1.559,1279 1.607,1280 0.642,1281 1.589,1282 0.967,1283 0.954,1284 1.175,1285 1.313,1286 0.224,1287 1.241,1288 0.889,1289 0.824,1290 1.164,1291 1.14,1292 0.223,1293 1.148,1294 0.86,1295 0.805,1296 1.092,1297 1.069,1298 0.124,1299 1.08,1300 4.143,1302 5.407,1304 6.838,1306 8.345,1308 9.89,1312 26.795,1315 -1.421,1317 4.418,1318 9.19,1326 31.313,1327 84.136,1328 160.865,1329 184.084,1330 200.084,1331 204.084,1332 204.084,1333 115.971,1334 6.707,1335 110.8,1336 110.8,1337 12,1338 12.019,1339 4.17,1340 3.585,1341 69.928,1342 165,1343 126,1344 0.199,1345 195.592,1346 365.88,1347 469.003,1348 8035,1349 4.3,1350 21.933,1351 0.731,1352 0.513,1353 20.192,1354 15.393,1355 14.346,1356 0.463,1357 0.273,1358 8.246,1359 13.461,1360 8.157,1361 6.747,1362 13.525,1363 8.453,1364 12.668,1365 0.317,1366 0.14,1367 11.632,1368 5.605,1369 9.445,1370 0.21,1371 0.074,1372 8.378,1373 3.342,1374 6.752,1375 0.135,1376 0.04,1377 6.215,1378 2.003,1379 5.623,1380 0.097,1381 0.021,1382 5.031,1383 1.226,1384 0.332,1385 92.752,1386 0.224,1387 29.664,1388 0.494,1389 142,1390 723.301,1391 169.933,1392 621.193,1393 783.46,1394 572,1395 156,1396 519.628,1397 180.795,1398 504.361,1399 725.53,1400 471,1401 4.954}
{0 CHEMBL1559250,1 1.533,2 8.444,3 2.243,4 5.031,5 74.244,6 7.211,7 0.316,8 3.675,9 3.808,10 3.214,11 3.206,12 4.642,13 3.151,14 4.264,15 4.473,16 3.513,17 3.587,18 5.171,19 3.501,20 4.527,21 4.761,22 3.645,23 3.757,24 5.471,25 3.647,26 4.612,27 4.851,28 3.49,29 3.815,30 5.445,31 3.639,32 4.714,33 5.014,34 3.362,35 3.747,36 5.486,37 3.519,38 4.44,39 4.756,40 3.062,41 3.463,42 5.134,43 3.238,44 4.028,45 4.31,46 2.857,47 3.133,48 4.871,49 2.958,50 3.807,51 4.068,52 2.826,53 2.902,54 4.868,55 2.744,56 0.014,57 0.52,58 8.266,59 3.448,60 4.426,61 4.897,62 0.201,63 0.839,64 17.974,65 5.495,66 15.417,67 8.144,68 0.369,69 1.026,70 23.218,71 7.207,72 35.869,73 10.566,74 0.164,75 1.055,76 24.099,77 9.103,78 28.042,79 12.789,80 0.346,81 1.019,82 32.313,83 9.813,84 42.77,85 13.983,86 0.265,87 0.779,88 25.436,89 7.215,90 27.167,91 10.593,92 0.102,93 0.547,94 13.914,95 4.832,96 17.52,97 6.924,98 0.135,99 0.389,100 13.088,101 3.831,102 24.072,103 5.191,104 12,105 25,106 0.284,107 0.542,108 0.7,109 0.778,110 0.792,111 0.792,112 2.959,113 1.087,114 -3.35,115 -3.33,116 -3.19,120 37.8,121 1,126 5,128 1,143 5,144 1,159 1,174 6,176 1,177 2,185 7,188 1,189 4,197 5,201 2,209 2,213 1,214 3,222 1,227 3,240 4,252 3,260 2,264 2,271 2,274 360,275 12.198,276 12.198,277 12.198,278 12.198,279 12.198,280 11.342,281 15.66,282 7.277,283 12.467,284 9.266,285 9.266,286 9.266,287 9.266,288 9.266,289 7.955,290 21.164,291 3.335,292 9.711,293 3.676,294 2.284,295 1.436,296 1.014,297 0.939,298 0.939,299 3.614,300 1,305 1,306 1,307 1,308 313,309 2.915,313 123.977,320 1.444,321 14.119,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 38.333,333 152,334 4.138,335 3.749,336 6.394,337 3.942,338 2.986,339 3.565,340 2.115,341 9.678,342 2.862,343 3.932,344 3.301,345 6.007,346 3.699,347 2.74,348 3.101,349 0.916,350 8.48,351 2.61,352 3.46,353 2.544,354 5.232,355 3.169,356 2.205,357 2.611,358 0.707,359 6.334,360 2.114,361 2.925,362 2.168,363 4.189,364 2.595,365 1.614,366 2.034,367 0.176,368 3.734,369 1.573,370 2.591,371 1.88,372 3.834,373 2.295,374 1.345,375 1.565,376 0.172,377 3.134,378 1.254,379 2.5,380 1.598,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2,389 1.146,390 3.318,391 1.967,392 1,393 1,395 2.136,396 0.965,397 1.881,398 1,399 3.247,400 1.696,401 0.735,402 0.821,404 1.766,405 0.696,406 1.464,407 0.852,408 2.51,409 0.918,410 0.199,411 0.225,413 0.267,414 0.11,415 0.688,416 0.06,417 2.167,418 0.453,419 -0.544,420 -0.589,422 -1.225,423 -0.529,424 0.533,425 -0.43,426 2,427 0.243,428 -0.757,429 -0.964,431 -1.616,432 -0.757,433 0.5,434 -0.6,435 1.555,437 -1,438 -1,440 -2.347,441 -0.9,443 -0.659,444 1.514,445 -0.1,446 -1,447 -1.5,449 -2.905,450 -1,451 -0.098,452 -1,453 1.378,454 -0.406,455 -1.34,456 -1.564,458 -3,459 -1.263,460 -0.413,461 -1.161,462 1,463 -0.559,464 -1.495,465 -1.715,466 -0.4,467 -4.147,468 -1.389,469 8.848,470 0.492,471 0.366,472 0.02,473 19,474 1.056,475 7.5,476 0.417,477 11.5,478 0.639,479 15.334,480 0.852,481 20.552,482 0.555,483 11.696,484 0.65,485 3.755,486 0.209,487 4.965,488 0.276,489 0.175,491 0.26,496 0.641,497 1.612,498 0.677,499 1.156,500 0.523,501 1.084,502 0.989,503 1.154,504 0.97,505 0.972,506 0.632,507 0.98,508 0.89,509 0.907,510 0.76,511 0.914,512 0.802,513 0.973,514 0.81,515 1.269,516 0.811,517 1.181,518 1.015,519 1.227,520 0.852,521 0.895,522 0.984,523 0.941,524 0.919,525 0.955,526 0.689,527 0.776,528 0.999,529 0.915,530 0.499,531 0.892,532 0.715,533 1.025,534 0.634,535 0.932,536 0.835,537 0.942,538 1.509,539 0.881,540 1.042,541 0.879,542 1.778,543 0.885,544 3,545 0.033,546 2.444,547 1.188,548 0.653,549 0.403,550 0.282,551 0.205,552 0.086,553 0.044,554 2699,555 7687,556 1.994,557 51.4,559 16,564 3,567 1.583,568 1.862,569 3.085,570 -0.763,572 1,574 1,575 56.736,576 1.533,577 2.925,578 3.774,579 4.196,580 4.27,581 4.27,582 2.558,583 3.572,584 4.139,585 3.185,586 487.296,587 7.011,588 4605.94,589 1,590 1,592 1,593 192.75,594 1.415,595 4.096,596 0.158,597 0.008,598 0.098,599 0.046,600 0.031,601 0.024,602 0.022,603 0.019,604 0.01,605 0.006,606 0.421,607 1,608 1,609 1.126,610 76.845,611 0.011,612 -0.324,613 0.03,614 -0.112,615 -0.013,616 -0.047,617 -0.05,618 0.028,619 -0.094,620 -0.022,621 -0.016,622 -0.024,623 0.071,624 0.201,625 -0.01,626 0.001,627 0.084,628 -0.034,629 -0.054,630 -0.267,631 -0.094,632 -0.211,633 -0.09,634 -0.239,635 0.015,636 -0.029,637 -0.008,638 0.013,639 -0.055,640 0.012,641 0.042,642 0.1,643 0.008,644 0.03,645 -0.003,646 0.074,647 0.041,648 -0.097,649 0.097,650 -0.004,651 0.04,652 0.023,653 -0.122,654 -0.007,655 0.062,656 0.092,657 -0.039,658 0.067,659 1.622,660 4.489,661 0.667,662 12.889,663 0.995,664 1.132,665 2.116,666 4.479,667 0.653,668 2.996,669 3.258,670 3.497,671 3.611,672 3.761,673 3.714,674 3.807,675 3.664,676 3.497,677 3.367,678 4.974,679 0.603,680 266.8,681 2.996,682 4.489,683 5.313,684 6.151,685 6.991,686 7.836,687 8.681,688 9.529,689 10.377,690 11.226,691 5.4,694 1,698 1,709 5,714 1,716 6,738 37,739 7,740 1,741 19,743 38,744 14,745 6,746 1,747 5,750 1,752 2,753 2,754 1,759 2,766 1,768 7,769 7,772 1,778 1,782 1,785 1,786 1,789 19,790 3,792 4,793 1,797 2,803 1,804 1,823 2,839 1,851 1,855 2,859 1,860 1,862 18,869 5,874 1,875 2,885 1,886 2.7,889 1,893 9.667,894 6.71,895 4.167,896 2.283,898 1.107,899 1.185,900 0.932,901 4.754,902 7.096,903 3.178,904 3.597,905 4.003,906 4.319,907 4.693,908 4.51,909 4.72,910 4.728,911 4.793,912 4.904,913 0.833,914 26,915 6.671,917 2.713,918 7.682,919 13.026,921 10.509,924 2.182,925 39.278,926 0.002,929 223.651,930 75.369,931 6.249,932 39.149,933 25.145,936 75.369,937 287.945,938 6.249,939 8.825,940 14.397,941 47.381,942 29.85,943 6.31,945 262.8,947 223.651,948 81.618,949 25.145,950 39.149,952 188.338,953 60.458,956 26.346,957 55.271,958 39.149,960 223.651,961 31.394,962 114.518,965 223.651,966 19.163,967 62.455,969 64.294,970 223.651,971 31.394,972 114.518,973 0.568,974 0.343,975 0.166,976 0.083,977 11,978 5,979 0.053,980 2,982 1,983 3.042,984 120.421,986 12,987 67.059,993 13.534,994 6.323,995 3.326,997 31.394,998 10.48,1003 1.328,1006 369.562,1007 23,1013 11.489,1017 0.045,1020 36.807,1021 41.887,1022 0.294,1023 0.561,1024 0.724,1025 0.805,1026 0.82,1027 0.82,1028 4.388,1029 0.735,1030 5.273,1031 2.136,1032 3.932,1033 4.277,1034 2.426,1035 6.033,1036 3.843,1037 5.514,1038 0.199,1039 6.812,1040 1.766,1041 3.434,1042 3.795,1043 1.738,1044 6.893,1045 3.319,1046 6.768,1047 -0.544,1048 8.458,1049 0.267,1050 5.476,1051 6.185,1052 3.425,1053 9.945,1054 5.299,1055 8.052,1056 -0.757,1057 10.165,1058 -1.225,1059 5.832,1060 6.485,1061 3.411,1062 11.621,1063 5.61,1064 9.37,1065 -1,1066 11.911,1067 -1.616,1068 7.315,1069 8.379,1070 4.732,1071 14.175,1072 7.05,1073 10.708,1074 -1,1075 13.683,1076 -2.347,1077 8.051,1078 9.032,1079 5.037,1080 16.165,1081 7.736,1082 12.061,1083 -1.34,1084 15.472,1085 -2.905,1086 9.302,1087 10.709,1088 6.136,1089 18.541,1090 8.949,1091 2.986,1092 -1.495,1093 17.272,1094 -3,1095 10.215,1096 11.552,1097 6.614,1098 20.669,1099 9.812,1100 2.74,1101 9.678,1102 19.082,1103 -4.147,1104 11.365,1105 13.108,1106 7.579,1107 22.974,1108 10.924,1109 2.205,1110 8.48,1111 20.897,1112 3.565,1113 12.363,1114 14.071,1115 8.161,1116 25.166,1117 11.874,1118 1.614,1119 6.334,1120 22.717,1121 3.101,1122 13.47,1123 15.548,1124 9.043,1125 27.442,1126 12.941,1127 1.345,1128 3.734,1129 24.541,1130 2.611,1131 14.509,1132 16.594,1133 9.688,1134 29.667,1135 13.934,1136 1,1137 3.134,1138 26.368,1139 2.034,1140 15.598,1141 18.015,1142 10.52,1143 31.932,1144 14.983,1145 1,1146 2.275,1147 28.198,1148 1.565,1149 16.657,1150 19.121,1151 11.204,1152 34.173,1153 15.997,1154 2771,1155 4744,1156 12.425,1157 24.176,1158 27.995,1159 29.159,1160 29.167,1161 27.569,1162 27.648,1163 32.844,1164 8.172,1165 75.606,1166 26.365,1167 5.138,1168 5.749,1169 6.196,1170 5.01,1171 4.986,1172 6.565,1173 3.784,1174 16.43,1175 4.862,1176 8.723,1177 1.473,1178 1.535,1179 1.535,1180 1.451,1181 1.455,1182 1.729,1183 0.43,1184 3.979,1185 1.388,1186 3.967,1187 4.014,1188 3.905,1189 3.879,1190 7.427,1191 3.875,1192 3.801,1193 3.853,1194 3.819,1195 3.624,1196 4.76,1197 3.637,1198 3.492,1199 3.539,1200 3.6,1201 3.312,1202 4.661,1203 3.314,1204 3.281,1205 3.351,1206 3.217,1207 3.127,1208 4.322,1209 3.103,1210 3.111,1211 3.206,1212 2.895,1213 2.941,1214 3.949,1215 2.91,1216 2.854,1217 2.925,1218 2.866,1219 2.735,1220 3.674,1221 2.715,1222 2.785,1223 2.896,1224 2.687,1225 2.602,1226 3.474,1227 2.576,1228 2.725,1229 2.803,1230 2.538,1231 2.477,1232 3.461,1233 2.477,1234 0.218,1235 0.197,1236 0.337,1237 0.207,1238 0.157,1239 4.138,1240 0.188,1241 3.749,1242 0.111,1243 6.394,1244 0.509,1245 3.942,1246 0.151,1247 2.986,1248 3.565,1249 2.115,1250 9.678,1251 2.862,1252 1.936,1253 1.902,1254 2.073,1255 2.065,1256 1.335,1257 2.069,1258 1.754,1259 1.692,1260 1.941,1261 1.937,1262 1.132,1263 1.945,1264 1.433,1265 1.381,1266 1.688,1267 1.649,1268 0.825,1269 1.66,1270 1.276,1271 1.214,1272 1.513,1273 1.491,1274 0.825,1275 1.524,1276 1.153,1277 1.064,1278 1.503,1279 1.376,1280 0.712,1281 1.429,1282 0.886,1283 0.821,1284 1.181,1285 1.067,1286 0.321,1287 1.107,1288 0.793,1289 0.709,1290 1.136,1291 1.062,1292 0.218,1293 1.101,1294 0.694,1295 0.59,1296 1.04,1297 0.945,1298 0.187,1299 0.986,1300 3.664,1302 4.934,1304 6.422,1306 7.991,1308 9.6,1310 2.217,1311 5.575,1315 3.483,1320 0.402,1321 4.258,1326 22.326,1327 56.736,1328 108.228,1329 139.63,1330 155.24,1331 157.995,1332 157.995,1333 28.582,1334 5.989,1335 23.55,1336 23.55,1337 12,1338 11.784,1339 3,1340 2.322,1341 31.114,1342 53,1343 52,1344 0.296,1345 144.485,1346 250.58,1347 344.302,1348 2447,1349 2.7,1350 12.958,1351 0.72,1352 0.635,1353 13.458,1354 11.436,1355 8.72,1356 0.459,1357 0.362,1358 6.318,1359 8.135,1360 6.082,1361 5.013,1362 9.073,1363 6.883,1364 7.318,1365 0.293,1366 0.196,1367 7.522,1368 4.904,1369 6.402,1370 0.2,1371 0.12,1372 6.724,1373 3.84,1374 4.618,1375 0.128,1376 0.071,1377 4.785,1378 2.555,1379 3.446,1380 0.082,1381 0.04,1382 3.564,1383 1.662,1384 0.458,1385 57.934,1386 0.284,1387 18.212,1388 0.824,1389 88,1390 239.229,1391 106.66,1392 257.543,1393 333.75,1394 242,1395 101,1396 209.349,1397 117.324,1398 217.689,1399 316.51,1400 204,1401 4.359}
{0 CHEMBL1559741,1 1.622,2 11.387,3 3.069,4 9.418,5 112.793,6 8.349,7 0.529,8 4.033,9 4.124,10 3.688,11 3.577,12 5.286,13 3.591,14 4.529,15 4.668,16 4.067,17 3.957,18 5.765,19 3.963,20 4.748,21 4.872,22 4.236,23 4.108,24 6.083,25 4.119,26 4.913,27 5.078,28 4.199,29 4.085,30 6.395,31 4.088,32 4.794,33 4.959,34 4.146,35 4.079,36 6.114,37 4.058,38 4.856,39 5.044,40 4.113,41 4.042,42 6.232,43 4.029,44 4.716,45 4.866,46 3.99,47 3.974,48 6.038,49 3.953,50 4.713,51 4.909,52 3.851,53 3.849,54 6.113,55 3.803,56 0.121,57 0.702,58 7.915,59 4.342,60 12.704,61 4.788,62 0.454,63 1.135,64 16.004,65 6.88,66 24.292,67 7.96,68 0.33,69 1.355,70 19.053,71 8.951,72 36.176,73 10.094,74 1.1,75 1.522,76 27.902,77 9.386,78 160.864,79 10.37,80 0.547,81 1.379,82 22.857,83 9.713,84 57.102,85 11.895,86 0.867,87 1.435,88 27.405,89 9.451,90 118.674,91 11.257,92 0.546,93 1.256,94 20.805,95 8.502,96 65.905,97 9.413,98 0.79,99 1.198,100 24.286,101 8.749,102 120.424,103 10.712,104 38,105 49,106 0.269,107 0.608,108 0.775,109 0.857,110 0.872,111 0.872,112 3.472,113 0.834,114 -3.91,115 -3.86,116 -3.66,120 46,125 2,126 1,143 9,144 4,145 2,146 1,148 1,158 1,159 1,160 1,174 10,176 5,177 10,182 2,185 10,189 10,194 2,197 7,200 6,201 12,204 1,206 1,209 4,213 1,214 11,217 1,219 1,222 6,226 3,227 13,230 1,232 1,235 7,239 1,240 10,247 6,251 1,252 7,255 3,260 4,263 3,264 7,271 4,274 1551,275 20.784,276 20.784,277 20.784,278 20.784,279 20.784,280 18.355,281 22.898,282 11.931,283 21.185,284 16.626,285 16.626,286 16.626,287 16.626,288 16.626,289 12.73,290 27.582,291 5.554,292 17.135,293 4.022,294 1.985,295 0.976,296 0.485,297 0.39,298 0.39,299 4.163,306 1,307 1,308 758,309 3.24,313 352.154,317 134.095,320 1.819,321 48.967,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 68.5,333 353,334 4.588,335 3.977,336 6.963,337 4.281,338 3.317,339 4.19,340 1.765,341 11.695,342 3.207,343 4.404,344 3.617,345 6.59,346 4.065,347 3.067,348 3.986,349 1.092,350 10.34,351 3.05,352 3.97,353 3.396,354 5.996,355 3.598,356 2.615,357 3.466,358 0.86,359 8.348,360 2.567,361 3.89,362 2.933,363 5.939,364 3.52,365 2.546,366 3.349,367 0.694,368 7.986,369 2.477,370 3.655,371 2.878,372 5.634,373 3.282,374 2.322,375 2.952,376 0.146,377 7.289,378 2.243,379 3.576,380 2.619,381 5.299,382 3.238,383 2.257,384 2.779,386 6.711,387 2.178,388 3.436,389 2.518,390 5.185,391 3.045,392 2.098,393 2.717,395 6.263,396 1.967,397 2.955,398 2.012,399 4.457,400 2.511,401 1.519,402 2.108,404 4.133,405 1.5,406 2.896,407 1.664,408 4.089,409 2.456,410 1.461,411 2.056,413 3.252,414 1.452,415 2.585,416 1.622,417 3.908,418 2.079,419 1.135,420 1.592,422 2.921,423 1.067,424 2.5,425 1.401,426 3.613,427 2,428 1,429 1.5,431 2.167,432 1,433 2.422,434 1.358,435 3.518,436 1.872,437 0.829,438 1.248,440 2.136,441 0.856,442 2.081,443 1.134,444 3.247,445 1.648,446 0.638,447 0.852,449 1.683,450 0.634,451 1.784,452 1.114,453 3.085,454 1.428,455 0.557,456 0.628,458 0.909,459 0.481,460 1.723,461 1,462 2.859,463 1.335,464 0.308,465 0.399,467 0.696,468 0.31,469 14.367,470 0.463,471 0.857,472 0.028,473 44.5,474 1.435,475 24,476 0.774,477 20.5,478 0.661,479 22.503,480 0.726,481 32.433,482 0.649,483 39.07,484 1.26,485 9.218,486 0.297,487 5.683,488 0.183,489 0.162,491 0.404,496 0.745,497 1.312,498 0.68,499 1.051,500 0.628,501 0.89,502 0.759,503 0.811,504 0.735,505 0.762,506 0.614,507 0.738,508 0.951,509 1.439,510 0.842,511 1.265,512 0.894,513 1.078,514 1.293,515 0.861,516 1.14,517 0.833,518 1.419,519 0.914,520 0.716,521 1.238,522 0.826,523 1.153,524 0.796,525 1.045,526 1.104,527 0.866,528 0.969,529 0.803,530 1.157,531 0.832,532 1.212,533 1.166,534 1.178,535 1.161,536 1.229,537 1.16,538 0.968,539 0.957,540 1.04,541 0.988,542 1.146,543 1.025,544 6,545 0.182,546 4.222,547 2.688,548 2.604,549 1.451,550 0.871,551 0.641,552 0.464,553 0.322,554 12004,555 37316,556 2.046,557 38,559 17,561 1,562 1,567 1.74,568 1.879,569 3.466,570 -0.329,571 1,572 1,575 81.076,576 1.622,577 3.659,578 4.668,579 5.159,580 5.254,581 5.254,582 2.955,583 4.761,584 4.923,585 3.613,586 1680.07,587 8.624,588 23128.3,590 1,592 1,593 282.193,594 1.514,595 4.866,596 0.176,597 0.008,598 0.086,599 0.048,600 0.051,601 0.029,602 0.018,603 0.015,604 0.013,605 0.011,606 0.456,607 0.33,608 1,609 0.778,610 159.096,611 -0.068,612 -0.211,613 0.034,614 -0.065,615 -0.078,616 -0.009,617 0.055,618 0.299,619 0.097,620 0.193,621 -0.004,622 0.161,623 -0.073,624 -0.407,625 -0.002,626 -0.287,627 -0.021,628 -0.163,629 -0.044,630 0.185,631 -0.144,632 0.087,633 -0.023,634 -0.023,635 0.12,636 -0.246,637 0.095,638 -0.162,639 0.077,640 -0.065,641 -0.033,642 0.148,643 0.04,644 0.148,645 -0.012,646 0.123,647 -0.186,648 -0.157,649 -0.258,650 -0.195,651 -0.174,652 -0.234,653 0.086,654 -0.004,655 -0.005,656 -0.01,657 0.064,658 -0.027,659 2.221,660 5.985,661 0.71,662 30.229,663 1.02,664 1.117,665 2.676,666 7.161,667 0.688,668 3.555,669 3.912,670 4.234,671 4.489,672 4.779,673 4.875,674 5.004,675 5.153,676 5.298,677 5.347,678 6.627,679 0.677,680 417.45,681 3.555,682 5.118,683 5.994,684 6.889,685 7.784,686 8.686,687 9.588,688 10.495,689 11.402,690 12.311,691 6,698 2,701 1,709 10,710 1,714 7,716 18,721 1,734 1,735 1,738 50,739 21,740 2,741 34,743 53,744 23,745 17,746 4,747 8,748 2,752 4,753 5,757 1,768 20,769 3,772 3,778 3,782 3,786 1,789 19,790 8,791 1,792 8,797 3,800 1,803 0.75,804 5,816 1,823 4,827 1,855 3,859 2,862 31,868 1,869 1,872 1,875 2,886 10,888 1,889 3,891 1,893 16.5,894 9.8,895 6.833,896 2.743,898 3.119,899 1.395,900 0.967,901 5.553,902 11.01,903 3.85,904 4.449,905 5.045,906 5.574,907 6.129,908 6.346,909 6.714,910 7.062,911 7.428,912 7.737,913 0.875,914 56,915 11.555,917 5.114,918 8.07,919 21.116,921 17.172,924 2.57,925 79.667,928 1,929 211.88,930 150.146,931 23.034,933 129.118,936 150.146,937 340.998,938 23.034,939 19.279,940 8.354,941 85.286,942 156.513,943 38.033,944 6.604,945 200.109,947 211.88,948 173.181,949 129.118,952 211.88,953 129.118,956 17.402,957 138.993,958 16.786,960 211.88,961 152.152,962 150.146,965 211.88,966 36.533,967 119.862,969 145.904,970 211.88,971 152.152,972 150.146,973 0.59,974 0.364,975 0.19,976 0.108,977 24,978 12,979 0.094,980 5,981 1,982 1.091,983 4.035,984 292.084,985 0.091,986 22,987 149.58,993 20.729,994 8.304,995 3.813,997 152.152,998 16.312,999 4.275,1003 1.505,1005 42.683,1006 514.178,1007 46,1013 38.482,1017 -1.576,1020 51.011,1021 55.864,1022 0.287,1023 0.648,1024 0.827,1025 0.914,1026 0.931,1027 0.931,1028 5.103,1029 1.519,1030 6.004,1031 6.263,1032 4.595,1033 5.136,1034 2.4,1035 6.866,1036 4.543,1037 6.324,1038 1.461,1039 7.604,1040 4.133,1041 4.29,1042 4.966,1043 1.404,1044 7.865,1045 4.215,1046 7.644,1047 1.135,1048 9.305,1049 3.252,1050 6.244,1051 7.31,1052 2.896,1053 11.006,1054 6.143,1055 8.998,1056 1,1057 11.063,1058 2.921,1059 6.746,1060 7.921,1061 2.659,1062 12.8,1063 6.624,1064 10.382,1065 0.829,1066 12.857,1067 2.167,1068 8.19,1069 9.757,1070 3.703,1071 15.488,1072 8.043,1073 11.788,1074 0.638,1075 14.676,1076 2.136,1077 9.051,1078 10.732,1079 3.868,1080 17.625,1081 8.882,1082 13.21,1083 0.557,1084 16.512,1085 1.683,1086 10.31,1087 12.354,1088 4.685,1089 20.156,1090 10.117,1091 3.317,1092 0.308,1093 18.363,1094 0.909,1095 11.339,1096 13.522,1097 5.049,1098 22.454,1099 11.121,1100 3.067,1101 11.695,1102 20.224,1103 0.696,1104 12.533,1105 15.041,1106 5.749,1107 24.927,1108 12.29,1109 2.615,1110 10.34,1111 22.095,1112 4.19,1113 13.64,1114 16.316,1115 6.212,1116 27.3,1117 13.37,1118 2.546,1119 8.348,1120 23.973,1121 3.986,1122 14.815,1123 17.783,1124 6.851,1125 29.754,1126 14.517,1127 2.322,1128 7.986,1129 25.858,1130 3.466,1131 15.959,1132 19.119,1133 7.364,1134 32.164,1135 15.632,1136 2.257,1137 7.289,1138 27.749,1139 3.349,1140 17.132,1141 20.559,1142 7.97,1143 34.611,1144 16.776,1145 2.098,1146 6.711,1147 29.645,1148 2.952,1149 18.295,1150 21.93,1151 8.509,1152 37.04,1153 17.908,1154 11564,1155 20541,1156 22.194,1157 34.381,1158 52.341,1159 55.143,1160 54.341,1161 51.424,1162 51.337,1163 67.643,1164 9.112,1165 153.058,1166 49.98,1167 5.539,1168 5.977,1169 6.765,1170 5.356,1171 5.317,1172 7.19,1173 3.077,1174 19.695,1175 5.207,1176 17.528,1177 1.539,1178 1.622,1179 1.598,1180 1.512,1181 1.51,1182 1.989,1183 0.268,1184 4.502,1185 1.47,1186 4.046,1187 4.072,1188 4.016,1189 3.938,1190 7.445,1191 3.951,1192 3.914,1193 3.934,1194 3.865,1195 3.842,1196 7.427,1197 3.84,1198 3.853,1199 3.879,1200 3.796,1201 3.754,1202 7.411,1203 3.765,1204 3.563,1205 3.602,1206 3.513,1207 3.352,1208 6.468,1209 3.387,1210 3.283,1211 3.346,1212 3.175,1213 3.06,1214 4.841,1215 3.069,1216 3.259,1217 3.317,1218 3.155,1219 3.009,1220 4.786,1221 3.035,1222 3.113,1223 3.136,1224 3.018,1225 2.915,1226 4.734,1227 2.925,1228 2.93,1229 2.975,1230 2.841,1231 2.735,1232 4.224,1233 2.735,1234 0.135,1235 0.117,1236 0.205,1237 0.126,1238 0.098,1239 4.588,1240 0.123,1241 3.977,1242 0.052,1243 6.963,1244 0.344,1245 4.281,1246 0.094,1247 3.317,1248 4.19,1249 1.765,1250 11.695,1251 3.207,1252 1.96,1253 1.94,1254 2.05,1255 2.093,1256 1.182,1257 2.072,1258 1.904,1259 1.88,1260 1.999,1261 1.997,1262 1.101,1263 2,1264 1.815,1265 1.793,1266 1.898,1267 1.939,1268 0.989,1269 1.933,1270 1.466,1271 1.424,1272 1.66,1273 1.703,1274 0.723,1275 1.686,1276 1.229,1277 1.155,1278 1.566,1279 1.52,1280 0.661,1281 1.531,1282 1.198,1283 1.137,1284 1.495,1285 1.464,1286 0.571,1287 1.476,1288 1.056,1289 1.017,1290 1.233,1291 1.258,1292 0.311,1293 1.247,1294 0.886,1295 0.821,1296 1.181,1297 1.121,1298 0.218,1299 1.107,1300 4.234,1302 5.58,1304 7.136,1306 8.789,1308 10.494,1310 2.835,1314 10.111,1315 0.223,1318 5.116,1321 2.383,1326 33.853,1327 81.076,1328 182.934,1329 233.399,1330 257.928,1331 262.683,1332 262.683,1333 79.556,1334 7.891,1335 103.42,1336 103.42,1337 24,1338 12.827,1339 4.459,1340 3.7,1341 49.255,1342 123,1343 126,1344 0.198,1345 207.056,1346 369.59,1347 496.977,1348 28698,1350 22.121,1351 0.714,1352 0.545,1353 22.121,1354 16.902,1355 14.901,1356 0.438,1357 0.278,1358 9.286,1359 14.237,1360 9.031,1361 7.507,1362 14.901,1363 9.456,1364 13.469,1365 0.275,1366 0.143,1367 13.469,1368 7.026,1369 12.248,1370 0.18,1371 0.075,1372 12.248,1373 5.069,1374 9.623,1375 0.109,1376 0.038,1377 9.623,1378 3.381,1379 8.11,1380 0.069,1381 0.02,1382 8.11,1383 2.337,1384 0.306,1385 94.445,1386 0.212,1387 28.738,1388 0.559,1389 166,1390 566.027,1391 184.619,1392 538.569,1393 722.61,1394 500,1395 200,1396 520.64,1397 220.121,1398 528.408,1399 776.47,1400 493,1401 4.182}
{0 CHEMBL1559782,1 1.542,2 8.364,3 0.589,4 0.347,5 80.615,6 8.177,7 0.435,8 3.682,9 3.822,10 3.316,11 3.169,12 5.014,13 3.185,14 4.179,15 4.394,16 3.641,17 3.52,18 5.286,19 3.522,20 4.377,21 4.581,22 3.794,23 3.687,24 5.655,25 3.671,26 4.553,27 4.819,28 3.758,29 3.724,30 5.855,31 3.666,32 4.423,33 4.676,34 3.608,35 3.607,36 5.724,37 3.553,38 4.338,39 4.602,40 3.504,41 3.49,42 5.617,43 3.441,44 4.142,45 4.364,46 3.377,47 3.361,48 5.695,49 3.309,50 4.101,51 4.356,52 2.982,53 3.184,54 5.526,55 3.086,56 0.06,57 0.613,58 5.952,59 2.355,60 16.444,61 3.206,62 0.239,63 0.896,64 12.689,65 3.806,66 23.805,67 5.566,68 0.252,69 1.081,70 14.753,71 4.964,72 37.416,73 7.175,74 0.431,75 1.123,76 21.293,77 6.563,78 76.583,79 9.927,80 0.324,81 1,82 17.9,83 5.281,84 77.083,85 8.021,86 0.335,87 0.901,88 16.925,89 4.599,90 56.166,91 7.107,92 0.236,93 0.788,94 12.057,95 3.883,96 75,97 5.663,98 0.306,99 0.673,100 12.477,101 3.064,102 84.917,103 4.622,104 56,105 32,106 0.276,107 0.615,108 0.735,109 0.779,110 0.789,111 0.799,112 3.147,113 0.858,114 -0.85,115 -0.96,116 -1.07,120 38.9,122 1,125 2,126 2,144 1,147 3,154 1,159 3,162 1,164 1,165 1,166 1,176 1,177 5,179 1,180 1,182 1,187 1,188 4,189 1,200 5,201 1,203 3,204 3,206 1,209 1,211 1,213 3,214 2,226 2,227 3,229 1,230 1,239 2,240 1,242 2,243 2,251 2,252 1,263 1,274 634,275 14.732,276 14.732,277 14.732,278 14.732,279 14.732,280 13.253,281 17.854,282 8.52,283 15.096,284 11.12,285 11.12,286 11.12,287 11.12,288 11.12,289 8.521,290 16.73,291 3.731,292 11.759,293 3.628,294 1.737,295 1.063,296 0.82,297 0.764,298 0.709,299 3.802,306 1,307 1,308 368,309 3.536,312 48.487,313 56.474,316 88.636,320 1.397,321 27.28,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48,333 184,334 4.79,335 4.145,336 7.022,337 4.297,338 3.348,339 4.77,340 2.035,341 11.997,342 3.178,343 4.227,344 4.087,345 6.138,346 3.723,347 2.762,348 3.765,349 2.035,350 8.981,351 2.653,352 3.712,353 3.989,354 5.708,355 3.203,356 2.268,357 3.001,358 2.035,359 7.351,360 2.119,361 3.526,362 3.309,363 5.508,364 3.072,365 2.147,366 2.711,367 0.8,368 6.506,369 1.98,370 3.434,371 2.701,372 4.658,373 2.9,374 1.951,375 2.271,377 5.171,378 1.847,379 3.216,380 2.576,381 4.466,382 2.525,383 1.583,384 2.2,386 4.269,387 1.488,388 3.077,389 2.252,390 3.606,391 2.124,392 1.161,393 1.396,395 2.51,396 1.116,397 2.938,398 2.014,399 3.439,400 1.723,401 0.794,402 1.278,404 1.5,405 0.736,406 2.51,407 1.617,408 2.977,409 1.396,410 0.471,411 0.82,413 0.933,414 0.435,415 2.091,416 1.237,417 2.731,418 1.275,419 0.355,420 0.641,422 0.478,423 0.326,424 1.296,425 0.656,426 2.494,427 0.865,428 -0.064,429 -0.092,431 -0.112,432 -0.059,433 1.155,434 0.498,435 2.402,436 0.48,437 -0.446,438 -0.583,440 -0.86,441 -0.412,442 0.759,443 -0.226,444 2.24,445 0.313,446 -0.616,447 -0.967,449 -1.329,450 -0.571,451 0.494,452 -0.362,453 2.16,454 0.101,455 -0.844,456 -1,458 -2,459 -0.795,460 0.025,461 -0.6,462 1.556,463 -0.1,464 -1,465 -1.252,467 -2.362,468 -0.9,469 10.2,470 0.464,471 0.558,472 0.025,473 32.5,474 1.477,475 17.5,476 0.795,477 15,478 0.682,479 14.823,480 0.674,481 22.8,482 0.633,483 23.434,484 1.065,485 6.173,486 0.281,487 4.355,488 0.198,489 0.255,491 0.373,496 0.949,497 1.562,498 0.729,499 1.167,500 0.523,501 0.949,502 1.025,503 0.961,504 0.698,505 0.681,506 0.375,507 0.634,508 0.804,509 1.228,510 0.815,511 1.104,512 0.481,513 0.986,514 0.574,515 0.763,516 0.714,517 0.833,518 0.513,519 0.807,520 0.91,521 0.993,522 0.901,523 0.959,524 0.808,525 0.933,526 1.018,527 0.898,528 0.908,529 0.834,530 0.932,531 0.847,532 0.889,533 1.183,534 1.107,535 1.29,536 1.025,537 1.25,538 1.591,539 0.951,540 1.643,541 1.2,542 1.784,543 1.392,544 4.5,545 0.033,546 2.889,547 2.486,548 1.449,549 1.07,550 0.675,551 0.313,552 0.169,553 0.111,554 3954,555 13378,556 1.919,557 38.9,559 10,562 2,565 2,567 1.652,568 1.737,569 3.04,570 0.438,572 1,574 1,575 55.511,576 1.542,577 3.433,578 4.107,579 4.35,580 4.406,581 4.461,582 2.556,583 4.278,584 4.421,585 3.2,586 739.176,587 7.639,588 7967.25,590 1,593 186.117,594 1.573,595 4.349,596 0.196,597 0.007,598 0.09,599 0.069,600 0.043,601 0.037,602 0.026,603 0.014,604 0.013,605 0.012,606 0.507,607 0.5,608 1,609 1.769,610 99.562,611 -0.138,612 -0.368,613 0.026,614 -0.145,615 0.048,616 -0.047,617 -0.065,618 0.091,619 0.216,620 0.3,621 0.081,622 0.311,623 0.104,624 -0.175,625 0.078,626 -0.111,627 0.122,628 -0.037,629 0.348,630 0.14,631 0.315,632 0.175,633 0.269,634 0.228,635 0.028,636 -0.058,637 0.097,638 0.032,639 0.072,640 0.07,641 -0.014,642 0.024,643 0.115,644 0.13,645 -0.007,646 0.145,647 0.066,648 -0.17,649 -0.18,650 -0.322,651 0.137,652 -0.304,653 -0.455,654 0.026,655 -0.659,656 -0.313,657 -0.392,658 -0.49,659 1.767,660 3.266,661 0.409,662 18.876,663 1.013,664 1.145,665 -0.379,666 0.144,667 0.676,668 3.178,669 3.497,670 3.807,671 4.094,672 4.317,673 4.477,674 4.595,675 4.554,676 4.331,677 4.043,678 5.122,679 0.66,680 294.36,681 3.178,682 4.71,683 5.572,684 6.469,685 7.366,686 8.279,687 9.19,688 10.11,689 11.029,690 11.953,691 22.2,694 1,695 1,699 1,700 3,701 2,708 2,710 2,714 4,715 1,716 10,718 3,728 1,738 36,739 13,741 23,743 37,744 14,745 6,752 2,753 3,766 1,767 3,768 6,769 5,785 1,786 1,789 14,790 7,791 2,792 8,797 8,803 0.5,813 1,818 1,822 1,823 1,826 1,851 1,855 1,859 2,862 22,863 1,869 3,875 1,877 3,882 3,884 3,893 12.667,894 7.483,895 5.167,896 2.071,898 2.609,899 1.394,900 0.941,901 4.47,902 9.229,903 3.555,904 4.099,905 4.819,906 5.503,907 6.098,908 6.595,909 7.08,910 7.394,911 7.411,912 7.345,913 0.833,914 36,915 8.025,917 3.326,918 8.136,919 14.702,921 11.404,924 2.636,925 58,929 141.253,930 88.23,931 164.67,936 88.23,937 141.253,938 164.67,939 16.793,940 6.746,941 32.897,942 85.092,943 111.373,945 141.253,947 141.253,948 252.9,952 117.711,953 23.542,956 116.648,957 102.681,958 33.571,960 141.253,961 164.67,962 88.23,965 141.253,966 21.632,967 21.816,968 49.805,969 159.646,970 141.253,971 164.67,972 88.23,973 0.568,974 0.349,975 0.196,976 0.107,977 14,978 8,979 0.108,980 4,981 1,982 1.222,983 3.209,984 169.16,985 0.222,986 9,987 96.107,993 15.581,994 6.311,995 2.822,996 0.628,997 162.771,999 8.244,1003 0.284,1004 1.673,1005 32.897,1006 394.153,1007 34,1020 36.465,1021 41.232,1022 0.298,1023 0.664,1024 0.794,1025 0.841,1026 0.852,1027 0.863,1028 4.824,1029 0.794,1030 5.58,1031 2.51,1032 4.174,1033 4.783,1034 3.288,1035 6.454,1036 4.064,1037 6.082,1038 0.471,1039 7.185,1040 1.5,1041 3.892,1042 4.745,1043 0.325,1044 7.522,1045 3.73,1046 7.418,1047 0.355,1048 8.893,1049 0.933,1050 5.82,1051 7.112,1052 4.647,1053 10.656,1054 5.607,1055 8.792,1056 -0.064,1057 10.661,1058 0.478,1059 6.365,1060 7.975,1061 0.268,1062 12.557,1063 6.103,1064 10.2,1065 -0.446,1066 12.467,1067 -0.112,1068 7.798,1069 9.813,1070 6.057,1071 15.244,1072 7.486,1073 11.635,1074 -0.616,1075 14.3,1076 -0.86,1077 8.715,1078 11.076,1079 0.188,1080 17.492,1081 8.356,1082 13.092,1083 -0.844,1084 16.152,1085 -1.329,1086 9.978,1087 12.726,1088 7.475,1089 20.035,1090 9.568,1091 3.348,1092 -1,1093 18.019,1094 -2,1095 11.058,1096 14.161,1097 0.125,1098 22.425,1099 10.599,1100 2.762,1101 11.997,1102 19.899,1103 -2.362,1104 12.269,1105 15.746,1106 8.895,1107 24.923,1108 11.758,1109 2.268,1110 8.981,1111 21.789,1112 4.77,1113 13.419,1114 17.253,1115 0.082,1116 27.369,1117 12.856,1118 2.147,1119 7.351,1120 23.688,1121 3.765,1122 14.616,1123 18.818,1124 10.316,1125 29.854,1126 14.002,1127 1.951,1128 6.506,1129 25.594,1130 3.001,1131 15.795,1132 20.354,1133 0.054,1134 32.322,1135 15.128,1136 1.583,1137 5.171,1138 27.506,1139 2.711,1140 16.993,1141 21.914,1142 11.737,1143 34.805,1144 16.273,1145 1.161,1146 4.269,1147 29.424,1148 2.271,1149 18.185,1150 23.463,1151 0.035,1152 37.282,1153 17.412,1154 4213,1155 7915,1156 14.334,1157 24.33,1158 37.473,1159 41.724,1160 36.957,1161 33.695,1162 33.68,1163 45.707,1164 13.808,1165 99.39,1166 31.757,1167 5.665,1168 6.145,1169 6.564,1170 5.367,1171 5.348,1172 7.77,1173 4.069,1174 19.244,1175 5.072,1176 14.291,1177 1.629,1178 1.814,1179 1.607,1180 1.465,1181 1.464,1182 1.987,1183 0.6,1184 4.321,1185 1.381,1186 4.132,1187 4.176,1188 4.121,1189 3.982,1190 6.834,1191 4.013,1192 3.704,1193 3.782,1194 3.613,1195 3.522,1196 6.819,1197 3.533,1198 3.584,1199 3.637,1200 3.513,1201 3.428,1202 6.809,1203 3.444,1204 3.332,1205 3.414,1206 3.216,1207 3.125,1208 5.151,1209 3.127,1210 3.136,1211 3.201,1212 3.117,1213 2.915,1214 4.822,1215 2.961,1216 3.052,1217 3.126,1218 2.982,1219 2.83,1220 4.335,1221 2.868,1222 2.937,1223 3.051,1224 2.82,1225 2.622,1226 4.069,1227 2.659,1228 2.874,1229 3.009,1230 2.512,1231 2.618,1232 3.947,1233 2.57,1234 0.208,1235 0.18,1236 0.305,1237 0.187,1238 0.146,1239 4.79,1240 0.207,1241 4.145,1242 0.088,1243 7.022,1244 0.522,1245 4.297,1246 0.138,1247 3.348,1248 4.77,1249 2.035,1250 11.997,1251 3.178,1252 1.849,1253 1.811,1254 1.965,1255 2.029,1256 1.26,1257 2.002,1258 1.722,1259 1.66,1260 1.831,1261 1.917,1262 0.9,1263 1.907,1264 1.542,1265 1.477,1266 1.731,1267 1.786,1268 0.82,1269 1.772,1270 1.358,1271 1.299,1272 1.536,1273 1.545,1274 0.601,1275 1.553,1276 1.144,1277 1.07,1278 1.417,1279 1.366,1280 0.469,1281 1.351,1282 0.987,1283 0.934,1284 1.296,1285 1.239,1286 0.339,1287 1.308,1288 0.934,1289 0.804,1290 1.12,1291 1.23,1292 0.113,1293 1.173,1294 0.785,1295 0.703,1296 0.994,1297 1.138,1299 1.123,1300 3.85,1302 5.165,1303 2.398,1304 6.688,1305 4.949,1306 8.316,1307 7.209,1308 10.004,1310 3.926,1313 6.008,1315 2.193,1321 2.035,1324 27.354,1325 5.656,1326 23.752,1327 55.511,1328 123.588,1329 147.853,1330 156.608,1331 158.608,1332 160.608,1333 50.299,1334 6.62,1335 131.34,1336 131.34,1337 11,1338 12.46,1339 3.807,1340 3.585,1341 41.916,1342 66,1343 73,1344 0.328,1345 155.357,1346 265.84,1347 370.831,1348 5032,1350 16.276,1351 0.74,1352 0.56,1353 16.276,1354 12.329,1355 10.528,1356 0.458,1357 0.286,1358 6.45,1359 10.032,1360 6.231,1361 5.243,1362 10.528,1363 6.578,1364 9.056,1365 0.283,1366 0.156,1367 9.056,1368 4.997,1369 7.656,1370 0.174,1371 0.073,1372 7.656,1373 3.227,1374 6.429,1375 0.109,1376 0.037,1377 6.429,1378 2.19,1379 4.932,1380 0.067,1381 0.018,1382 4.932,1383 1.351,1384 0.493,1385 66.65,1386 0.264,1387 21.269,1388 0.966,1389 110,1390 368.828,1391 121.49,1392 372.783,1393 495.86,1394 342,1395 131,1396 357.634,1397 144.461,1398 369.661,1399 532.87,1400 342,1401 4.234}
{0 CHEMBL1560341,1 2.023,2 8.556,3 2.166,4 4.69,5 64.061,6 13.004,7 0.579,8 3.362,9 3.429,10 3.371,11 2.887,12 4.784,13 2.935,14 3.778,15 3.848,16 3.793,17 3.215,18 5.413,19 3.255,20 3.938,21 4.049,22 3.795,23 3.17,24 5.532,25 3.191,26 3.786,27 3.912,28 3.459,29 2.959,30 5.364,31 3.016,32 3.606,33 3.742,34 3.34,35 2.78,36 5.123,37 2.836,38 3.523,39 3.607,40 3.344,41 2.751,42 5.447,43 2.804,44 3.36,45 3.472,46 3.374,47 2.684,48 4.793,49 2.678,50 3.183,51 3.326,52 3.308,53 2.45,54 4.773,55 2.442,56 0.229,57 0.363,58 1.151,59 1.754,60 17.11,61 1.283,62 0.419,63 0.516,64 2.245,65 2.961,66 50.386,67 2.238,68 0.67,69 0.543,70 16.335,71 3.93,72 55.763,73 2.848,74 0.512,75 0.462,76 10.259,77 3.182,78 58.491,79 2.14,80 0.451,81 0.376,82 6.314,83 2.613,84 60.187,85 2.297,86 0.476,87 0.336,88 8.632,89 2.476,90 72.659,91 1.649,92 0.34,93 0.294,94 4.616,95 2.38,96 36.009,97 1.655,98 0.256,99 0.244,100 5.615,101 2.03,102 24.208,103 1.866,104 18,105 26,106 0.399,107 0.727,108 0.823,109 0.889,110 0.889,111 0.889,112 2.959,113 0.872,114 -3.51,115 -3.48,116 -3.33,118 1,120 41.7,143 4,145 1,146 1,148 1,153 1,154 1,159 1,167 2,174 2,176 2,177 4,180 2,182 1,185 1,188 3,189 6,192 1,194 2,197 1,200 1,201 4,206 1,213 2,214 3,217 1,219 1,222 1,226 2,227 2,230 2,235 2,239 1,240 2,247 1,251 2,252 4,260 1,264 2,271 1,274 370,275 11.723,276 11.723,277 11.723,278 11.723,279 11.723,280 9.957,281 14.117,282 6.874,283 12.041,284 9.345,285 9.345,286 9.345,287 9.345,288 9.345,289 6.712,290 16.511,291 3.27,292 9.911,293 2.562,294 0.9,295 0.417,296 0.083,297 0.083,298 0.083,299 3.608,306 1,307 1,308 317,309 3,312 53.667,313 63.407,320 1.333,321 28.179,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.25,333 154,334 4.363,335 3.787,336 6.177,337 3.942,338 2.952,339 4.061,340 2.612,341 9.127,342 2.922,343 4.058,344 3.565,345 5.788,346 3.595,347 2.652,348 3.635,349 1.058,350 7.797,351 2.509,352 3.884,353 2.906,354 5.378,355 3.386,356 2.435,357 3.358,359 6.936,360 2.286,361 3.416,362 2.424,363 4.893,364 2.924,365 2.044,366 2.717,368 5.684,369 1.7,370 3.095,371 2.289,372 4.154,373 2.469,374 1.468,375 2.259,377 3.639,378 1.437,379 2.5,380 1.427,381 3.514,382 1.959,383 1,384 1.5,386 2.275,387 0.956,388 2.421,389 1,390 3.414,391 1.836,392 0.837,393 1.268,395 2.153,396 0.827,397 2.157,398 1,399 3.253,400 1.65,401 0.65,402 0.976,404 1.593,405 0.649,406 1.399,407 0.77,408 2.658,409 0.941,410 0.058,411 0.073,413 0.13,414 0.04,415 1,416 0.696,417 2,418 0.203,419 -0.663,420 -0.826,422 -1.605,423 -0.449,424 0.708,425 0.148,426 1.905,428 -1,429 -1.5,431 -2,432 -0.972,433 0.5,434 -0.658,435 1.765,436 -0.025,437 -1,438 -1.502,440 -3,441 -1,442 0.258,443 -0.875,444 1.548,445 -0.117,446 -1.128,447 -1.694,449 -3.031,450 -1.055,451 0.067,452 -1,453 1.252,454 -0.361,455 -1.316,456 -1.836,458 -3.295,459 -1.131,460 -0.079,461 -1.213,462 1.122,463 -0.62,464 -1.382,465 -2,467 -4.148,468 -1.357,469 8.867,470 0.493,471 0.527,472 0.029,473 27,474 1.5,475 15,476 0.833,477 12,478 0.667,479 10.132,480 0.563,481 18.733,482 0.781,483 17.082,484 0.949,485 5.356,486 0.298,487 3.202,488 0.178,489 0.263,491 0.327,496 0.617,497 1.161,498 0.466,499 0.684,500 0.562,501 0.704,502 0.657,503 1.143,504 0.609,505 0.853,506 0.498,507 0.926,508 0.843,509 1.119,510 1.167,511 1.093,512 0.707,513 1.141,514 1.322,515 1.103,516 0.763,517 0.916,518 1.296,519 1.023,520 1.032,521 0.783,522 0.423,523 0.728,524 1.277,525 0.861,526 1.006,527 0.857,528 0.954,529 0.849,530 0.853,531 0.942,532 1.098,533 0.81,534 0.91,535 0.98,536 1.004,537 1.095,538 0.547,539 1.059,540 0.992,541 1.143,542 0.609,543 1.109,544 4.5,545 0.058,546 2.222,547 0.875,548 1.162,549 0.396,550 0.232,551 0.231,552 0.121,553 0.08,554 2752,555 13911,556 1.963,557 25,559 4,561 1,562 1,567 1.582,568 1.8,569 3.113,570 -0.061,574 1,575 48.555,576 2.023,577 3.685,578 4.168,579 4.502,580 4.502,581 4.502,582 2.53,583 3.392,584 4.141,585 3.216,586 492.061,587 7.008,588 4702.24,590 1,592 1,593 110.039,594 1.53,595 4.076,596 0.237,597 0.019,598 0.085,599 0.038,600 0.061,601 0.025,602 0.014,603 0.019,604 0.012,605 0.011,606 0.523,607 0.5,608 1,609 0.946,610 77.255,611 0.052,612 -0.032,613 -0.003,614 0.026,615 -0.046,616 0.002,617 0.136,618 -0.089,619 -0.001,620 -0.065,621 0.162,622 -0.149,623 0.108,624 -0.153,625 -0.135,626 -0.116,627 0.068,628 -0.171,629 -0.349,630 -0.142,631 -0.085,632 -0.073,633 -0.225,634 -0.072,635 -0.034,636 0.143,637 0.079,638 0.074,639 -0.2,640 0.159,641 0.099,642 0.091,643 -0.124,644 0.063,645 0.317,646 -0.059,647 -0.161,648 0.099,649 0.036,651 -0.181,652 -0.06,653 0.318,654 -0.14,655 0.135,656 -0.106,657 0.221,658 0.04,659 2.714,660 4.656,661 0.611,662 12.457,663 1.067,664 1.125,665 2.279,666 5.192,667 0.738,668 2.996,669 3.296,670 3.466,671 3.611,672 3.738,673 3.689,674 3.526,675 3.555,676 3.497,677 3.434,678 5.079,679 0.75,680 312.09,681 2.996,682 4.511,683 5.323,684 6.172,685 7.006,686 7.854,687 8.696,688 9.545,689 10.39,690 11.239,691 12.5,698 1,701 1,702 1,709 5,710 1,712 1,714 4,716 11,723 1,731 1,737 1,738 24,739 14,741 19,742 1,743 25,744 10,745 9,748 1,752 2,753 2,768 10,772 3,775 1,778 3,782 1,786 1,788 1,789 6,790 6,791 1,792 8,793 1,797 3,803 1,804 4,816 1,822 1,823 1,855 2,858 1,862 18,871 1,885 1,886 16.7,889 1,891 1,892 2,893 10,894 4.376,895 3.972,896 1.22,898 2.135,899 1.357,900 0.952,901 3.742,902 8.106,903 3.35,904 3.946,905 4.42,906 4.897,907 5.268,908 5.421,909 5.285,910 5.518,911 5.784,912 6.073,913 0.833,914 23,915 6.576,917 2.798,918 8.449,919 11.597,921 8.844,924 2.949,925 53.083,929 58.856,930 67.509,931 86.42,933 85.399,936 113.463,937 144.255,938 40.466,939 5.67,940 18.011,941 37.905,942 58.406,943 26.63,944 7.777,945 47.084,946 96.701,947 58.856,948 107.975,949 85.399,951 45.954,952 58.856,953 34.652,954 50.747,956 32.078,957 53.441,958 22.456,959 45.954,960 58.856,961 125.866,962 113.463,965 58.856,966 20.556,967 52.622,968 63.965,969 102.185,970 58.856,971 125.866,972 113.463,973 0.586,974 0.325,975 0.153,976 0.085,977 12,978 6,979 0.12,980 3,982 1,983 3.045,984 119.779,986 11,987 73.059,993 12.735,994 5.289,995 3.161,997 120.195,998 7.142,999 3.931,1001 4.755,1003 0.465,1005 18.011,1006 298.184,1007 27.5,1010 -0.714,1013 32.446,1017 -0.599,1020 25.611,1021 27.005,1022 0.441,1023 0.804,1024 0.909,1025 0.982,1026 0.982,1027 0.982,1028 4.551,1029 0.65,1030 5.313,1031 2.153,1032 3.97,1033 4.63,1034 2.67,1035 6.061,1036 3.872,1037 5.775,1038 0.058,1039 6.847,1040 1.593,1041 3.611,1042 4.511,1043 2.361,1044 6.849,1045 3.432,1046 7.082,1047 -0.663,1048 8.474,1049 0.13,1050 5.517,1051 6.815,1052 4.193,1053 9.847,1054 5.347,1055 8.422,1056 -1,1057 10.151,1058 -1.605,1059 5.916,1060 7.47,1061 4.506,1062 11.399,1063 5.705,1064 9.788,1065 -1,1066 11.859,1067 -2,1068 7.324,1069 9.253,1070 5.955,1071 13.907,1072 7.11,1073 11.17,1074 -1.128,1075 13.588,1076 -3,1077 8.055,1078 10.253,1079 6.556,1080 15.785,1081 7.826,1082 12.566,1083 -1.316,1084 15.331,1085 -3.031,1086 9.263,1087 11.824,1088 7.796,1089 18.109,1090 9.025,1091 2.952,1092 -1.382,1093 17.085,1094 -3.295,1095 10.156,1096 12.998,1097 8.548,1098 20.145,1099 9.913,1100 2.652,1101 9.127,1102 18.848,1103 -4.148,1104 11.277,1105 14.471,1106 9.67,1107 22.393,1108 11.026,1109 2.435,1110 7.797,1111 20.617,1112 4.061,1113 12.251,1114 15.737,1115 10.509,1116 24.508,1117 11.999,1118 2.044,1119 6.936,1120 22.392,1121 3.635,1122 13.336,1123 17.164,1124 11.563,1125 26.726,1126 13.076,1127 1.468,1128 5.684,1129 24.171,1130 3.358,1131 14.353,1132 18.482,1133 12.452,1134 28.883,1135 14.093,1136 1,1137 3.639,1138 25.954,1139 2.717,1140 15.424,1141 19.887,1142 13.468,1143 31.09,1144 15.158,1145 0.837,1146 2.275,1147 27.741,1148 2.259,1149 16.464,1150 21.234,1151 14.386,1152 33.269,1153 16.198,1154 2826,1155 6468,1156 12.137,1157 17.71,1158 28.629,1159 30.169,1160 29.352,1161 28.365,1162 28.193,1163 39.693,1164 7.342,1165 78.667,1166 26.654,1167 5.193,1168 5.787,1169 5.591,1170 4.989,1171 4.952,1172 7.061,1173 4.612,1174 15.479,1175 4.868,1176 10.188,1177 1.507,1178 1.588,1179 1.545,1180 1.493,1181 1.484,1182 2.089,1183 0.386,1184 4.14,1185 1.403,1186 4.01,1187 4.019,1188 6.88,1189 3.816,1190 7.815,1191 3.839,1192 3.854,1193 3.888,1194 3.986,1195 3.735,1196 7.429,1197 3.743,1198 3.497,1199 3.508,1200 3.728,1201 3.117,1202 6.999,1203 3.188,1204 3.168,1205 3.204,1206 3.464,1207 2.871,1208 4.98,1209 2.915,1210 2.804,1211 2.868,1212 3.06,1213 2.656,1214 4.885,1215 2.663,1216 2.691,1217 2.722,1218 2.627,1219 2.483,1220 3.979,1221 2.497,1222 2.253,1223 2.265,1224 2.484,1225 1.903,1226 3.804,1227 1.881,1228 2.085,1229 2.18,1230 2.142,1231 1.779,1232 3.62,1233 1.846,1234 0.23,1235 0.199,1236 0.325,1237 0.207,1238 0.155,1239 4.363,1240 0.214,1241 3.787,1242 0.137,1243 6.177,1244 0.48,1245 3.942,1246 0.154,1247 2.952,1248 4.061,1249 2.612,1250 9.127,1251 2.922,1252 1.818,1253 1.786,1254 1.879,1255 1.97,1256 0.945,1257 1.946,1258 1.567,1259 1.539,1260 1.676,1261 1.945,1262 0.728,1263 1.826,1264 1.471,1265 1.474,1266 1.498,1267 1.688,1268 0.394,1269 1.66,1270 0.996,1271 0.955,1272 1.127,1273 1.296,1274 0.165,1275 1.268,1276 0.791,1277 0.749,1278 1.048,1279 1.084,1281 1.039,1282 0.66,1283 0.615,1284 0.774,1285 0.993,1287 0.98,1288 0.362,1289 0.359,1290 0.575,1291 0.7,1293 0.653,1296 0.319,1297 0.32,1299 0.319,1300 3.664,1302 4.963,1303 2.398,1304 6.431,1305 4.595,1306 7.971,1307 6.605,1308 9.546,1309 3.207,1317 2.45,1326 18.002,1327 48.555,1328 88.429,1329 100.039,1330 108.039,1331 108.039,1332 108.039,1333 34.121,1334 5.971,1335 100.95,1336 100.95,1337 11,1338 11.798,1339 3.907,1340 3.248,1341 31.161,1342 54,1343 52,1344 0.287,1345 119.697,1346 204,1347 283.821,1348 2436,1349 4.2,1350 13.121,1351 0.729,1352 0.577,1353 14.121,1354 10.378,1355 8.559,1356 0.45,1357 0.291,1358 4.662,1359 7.437,1360 4.578,1361 3.777,1362 9.136,1363 5.525,1364 7.916,1365 0.304,1366 0.159,1367 8.733,1368 4.126,1369 6.102,1370 0.197,1371 0.079,1372 6.679,1373 2.434,1374 4.458,1375 0.124,1376 0.039,1377 4.791,1378 1.41,1379 3.374,1380 0.082,1381 0.022,1382 3.846,1383 0.903,1384 0.448,1385 63.878,1386 0.287,1387 18.275,1388 0.788,1389 90,1390 411.22,1391 172.41,1392 420.402,1393 537.06,1394 384,1395 102,1396 361.726,1397 147.885,1398 365.528,1399 525.84,1400 341,1401 4.777}
{0 CHEMBL1560679,1 2.01,2 8.316,3 4.329,4 18.743,5 71.899,6 10.917,7 0.762,8 3.456,9 3.521,10 3.387,11 3.163,12 4.74,13 3.131,14 3.912,15 4.003,16 3.795,17 3.548,18 5.275,19 3.491,20 4.067,21 4.197,22 3.903,23 3.544,24 5.443,25 3.499,26 3.965,27 4.084,28 3.664,29 3.482,30 5.272,31 3.385,32 3.896,33 4.044,34 3.525,35 3.329,36 5.169,37 3.221,38 3.765,39 3.935,40 3.526,41 3.137,42 5.056,43 3.044,44 3.468,45 3.617,46 2.981,47 2.716,48 4.92,49 2.743,50 3.334,51 3.508,52 2.839,53 2.564,54 4.761,55 2.513,56 0.122,57 0.428,58 1.674,59 2.152,60 15.014,61 1.96,62 0.245,63 0.7,64 6.432,65 3.827,66 22.767,67 3.674,68 0.381,69 0.875,70 9.595,71 4.805,72 39.904,73 3.645,74 0.301,75 0.722,76 9.482,77 5.115,78 37.305,79 4.641,80 0.341,81 0.596,82 10.103,83 4.705,84 41.348,85 4.379,86 0.269,87 0.583,88 17.474,89 4.793,90 26.746,91 4.406,92 0.248,93 0.46,94 3.201,95 2.187,96 30.55,97 1.544,98 0.233,99 0.38,100 3.928,101 2.207,102 27.058,103 2.126,104 11,105 30,106 0.386,107 0.719,108 0.788,109 0.842,110 0.842,111 0.842,112 3.011,113 0.977,114 -4.99,115 -4.89,116 -4.59,120 48.1,126 1,143 5,144 1,145 1,147 1,148 1,150 1,153 2,174 4,176 1,177 1,180 1,185 7,189 4,194 1,197 6,201 2,204 1,206 1,209 4,214 3,219 2,222 1,227 4,232 2,235 1,240 2,245 2,247 1,260 2,271 2,274 373,275 12.834,276 12.834,277 12.834,278 12.834,279 12.834,280 10.967,281 8.223,282 7.402,283 13.286,284 10.303,285 10.303,286 10.303,287 10.303,288 10.303,289 7.428,290 7.516,291 3.469,292 11.19,293 2.745,294 1.008,295 0.652,296 0.37,297 0.37,298 0.37,299 3.688,300 1,306 1,307 1,308 339,309 2.121,312 35.794,313 101.605,316 69.351,320 1.28,321 24.869,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.833,333 158,334 4.607,335 3.232,336 6.577,337 4.081,338 3.158,339 4.565,340 1.03,341 10.488,342 2.912,343 4.124,344 2.942,345 6.051,346 3.699,347 2.738,348 3.742,350 8.717,351 2.623,352 3.721,353 2.757,354 5.268,355 3.254,356 2.335,357 3.183,359 6.638,360 2.127,361 3.511,362 2.55,363 5.097,364 3.081,365 2.162,366 2.86,368 6.094,369 1.961,370 3.349,371 2.104,372 4.994,373 2.857,374 1.929,375 2.693,377 5.708,378 1.778,379 2.728,380 1.559,381 4.234,382 2.169,383 1.267,384 1.831,386 3.663,387 1.121,388 2.5,389 1.299,390 3.72,391 2,392 1,393 1.5,395 2.275,396 1,397 2.224,398 1,399 3.414,400 1.661,401 0.829,402 1.12,404 2.25,405 0.662,406 1.537,407 0.871,408 2.831,409 1.037,410 0.358,411 0.411,413 0.543,414 0.2,415 1.17,416 0.328,417 2.66,418 0.739,419 -0.163,420 -0.207,422 -0.374,423 -0.144,424 1.013,425 -0.092,426 2.503,427 0.525,428 -0.348,429 -0.455,431 -0.897,432 -0.298,433 0.564,434 -0.404,435 2,437 -0.838,438 -1.056,440 -2.055,441 -0.664,442 0.5,443 -0.839,444 2,445 -0.017,446 -1,447 -1.346,449 -2.954,450 -0.96,451 0.173,452 -1,453 1.725,454 -0.22,455 -1.101,456 -1.5,458 -3,459 -1,460 -0.015,461 -1.077,462 1.468,463 -0.404,464 -1.282,465 -1.681,467 -3.528,468 -1.133,469 9.467,470 0.498,471 0.503,472 0.026,473 26.75,474 1.408,475 14.5,476 0.763,477 12.25,478 0.645,479 12.832,480 0.675,481 19.333,482 0.716,483 16.415,484 0.864,485 5.09,486 0.268,487 4.079,488 0.215,489 0.141,491 0.37,494 1,496 0.694,497 0.85,498 0.573,499 0.681,500 0.695,501 0.67,502 0.668,503 0.887,504 0.9,505 0.887,506 0.602,507 0.859,508 0.957,509 1.034,510 0.873,511 1.062,512 0.981,513 0.903,514 0.878,515 0.993,516 1.101,517 1.223,518 0.924,519 1.165,520 0.769,521 0.803,522 1.043,523 1.069,524 0.726,525 1.13,526 0.861,527 1.096,528 1.107,529 1.231,530 0.749,531 1.055,532 1.665,533 1.254,534 0.736,535 0.764,536 1.676,537 0.993,538 1.193,539 0.953,540 0.846,541 0.816,542 1.243,543 1.137,544 4.5,545 0.029,546 2.222,547 1.319,548 1.277,549 0.65,550 0.314,551 0.225,552 0.116,553 0.07,554 3160,555 13159,556 2.081,557 29.6,559 7,562 1,567 1.603,568 1.932,569 3.045,570 -0.198,575 54.276,576 2.01,577 3.747,578 4.103,579 4.385,580 4.385,581 4.385,582 2.505,583 3.827,584 4.217,585 3.121,586 533.745,587 7.183,588 5092.7,590 1,592 1,593 128.382,594 1.462,595 4.171,596 0.214,597 0.014,598 0.074,599 0.045,600 0.053,601 0.034,602 0.018,603 0.017,604 0.013,605 0.012,606 0.496,607 0.67,608 1,609 0.868,610 81.536,611 -0.092,612 -0.02,613 -0.005,614 0.084,615 -0.112,616 0.058,617 0.005,618 -0.008,619 -0.098,620 -0.018,621 0.017,622 -0.053,623 -0.071,624 0.024,625 -0.001,626 -0.071,627 -0.102,628 -0.026,629 -0.053,630 -0.075,631 -0.169,632 -0.167,633 -0.072,634 -0.203,635 -0.004,636 -0.084,637 -0.046,638 -0.065,639 -0.007,640 -0.091,641 -0.008,642 -0.248,643 0.128,644 -0.136,645 0.037,646 0.06,647 -0.402,648 -0.145,649 -0.157,650 -0.039,651 -0.332,652 -0.181,653 -0.043,654 -0.023,655 0.014,656 0.007,657 -0.076,658 -0.139,659 1.947,660 4.896,661 0.789,662 12.942,663 1.036,664 1.114,665 3.763,666 14.16,667 0.776,668 3.091,669 3.434,670 3.714,671 3.989,672 4.234,673 4.344,674 4.394,675 4.5,676 4.522,677 4.382,678 4.771,679 0.75,680 294.75,681 3.091,682 4.635,683 5.493,684 6.382,685 7.262,686 8.157,687 9.046,688 9.945,689 10.838,690 11.739,691 7.4,701 2,708 2,709 5,710 2,713 1,714 5,716 16,734 1,737 1,738 27,739 16,740 1,741 21,743 29,744 13,745 12,746 2,747 4,750 1,752 3,753 4,754 1,759 1,768 12,769 1,786 1,787 1,789 8,790 4,791 1,792 6,793 2,797 2,803 0.667,804 1,817 1,822 1,823 2,826 1,855 2,857 1,860 1,861 1,862 19,868 1,869 1,880 1,885 2,886 3.7,888 1,893 9.833,894 4.969,895 4.167,896 1.475,898 3.132,899 1.468,900 0.995,901 3.272,902 9.823,903 3.401,904 4.09,905 4.748,906 5.403,907 5.987,908 6.396,909 6.808,910 7.273,911 7.571,912 7.794,913 0.833,914 29,915 6.992,917 3.054,918 8.085,919 12.922,921 10.645,924 2.585,925 49.111,929 82.398,930 100.391,931 33.571,932 39.149,933 42.683,934 14.96,935 31.278,936 69.114,937 164.23,938 48.531,940 2.85,941 47.381,942 76.254,943 16.779,944 17.064,945 152.824,947 82.398,948 102.685,949 57.643,950 70.426,952 99.686,953 42.683,956 4.994,957 61.792,958 72.72,959 31.278,960 97.358,961 76.254,962 139.54,965 82.398,966 53.01,967 47.381,969 130.363,970 82.398,971 91.215,972 139.54,973 0.586,974 0.345,975 0.183,976 0.107,977 16,978 7,979 0.034,980 1,981 1,982 1.133,983 3.13,984 142.916,985 0.133,986 15,987 76.711,989 1,993 12.61,994 4.93,995 2.369,996 1.251,997 91.215,998 8.009,999 8.155,1002 1.362,1003 1.8,1005 42.683,1006 313.152,1007 29,1020 27.978,1021 30.071,1022 0.423,1023 0.788,1024 0.863,1025 0.922,1026 0.922,1027 0.922,1028 4.625,1029 0.829,1030 5.493,1031 2.275,1032 4.111,1033 4.775,1034 1.138,1035 6.315,1036 3.953,1037 5.869,1038 0.358,1039 7.06,1040 2.25,1041 3.761,1042 4.691,1044 7.209,1045 3.532,1046 7.199,1047 -0.163,1048 8.722,1049 0.543,1050 5.72,1051 7.094,1052 1.179,1053 10.298,1054 5.432,1055 8.566,1056 -0.348,1057 10.436,1058 -0.374,1059 6.155,1060 7.822,1062 11.996,1063 5.769,1064 9.962,1065 -0.838,1066 12.185,1067 -0.897,1068 7.606,1069 9.703,1070 1.22,1071 14.609,1072 7.183,1073 11.38,1074 -1,1075 13.957,1076 -2.055,1077 8.404,1078 10.826,1080 16.66,1081 7.876,1082 12.814,1083 -1.101,1084 15.747,1085 -2.954,1086 9.657,1087 12.49,1088 1.262,1089 19.101,1090 9.086,1091 3.158,1092 -1.282,1093 17.552,1094 -3,1095 10.631,1096 13.814,1098 21.311,1099 9.958,1100 2.738,1101 10.488,1102 19.368,1103 -3.528,1104 11.805,1105 15.385,1106 1.305,1107 23.687,1108 11.078,1109 2.335,1110 8.717,1111 21.194,1112 4.565,1113 12.865,1114 16.808,1116 25.969,1117 12.04,1118 2.162,1119 6.638,1120 23.027,1121 3.742,1122 14.01,1123 18.342,1124 1.348,1125 28.322,1126 13.121,1127 1.929,1128 6.094,1129 24.867,1130 3.183,1131 15.111,1132 19.813,1134 30.637,1135 14.129,1136 1.267,1137 5.708,1138 26.713,1139 2.86,1140 16.249,1141 21.332,1142 1.392,1143 32.983,1144 15.193,1145 1,1146 3.663,1147 28.563,1148 2.693,1149 17.37,1150 22.826,1152 35.313,1153 16.225,1154 3123,1155 6457,1156 13.929,1157 20.955,1158 31.744,1159 32.893,1160 32.996,1161 31.48,1162 31.554,1163 43.811,1164 2.06,1165 92.751,1166 28.767,1167 5.257,1168 5.232,1169 6.112,1170 5.205,1171 5.158,1172 7.565,1173 2.06,1174 17.429,1175 4.912,1176 9.164,1177 1.512,1178 1.566,1179 1.571,1180 1.499,1181 1.503,1182 2.086,1183 0.098,1184 4.417,1185 1.37,1186 4.082,1187 4.093,1188 4.341,1189 4.079,1190 8.201,1191 4.032,1192 3.842,1193 3.871,1194 3.831,1195 3.759,1196 6.475,1197 3.758,1198 3.41,1199 3.44,1200 3.749,1201 3.321,1202 4.988,1203 3.294,1204 3.075,1205 3.102,1206 3.272,1207 2.896,1208 4.688,1209 2.904,1210 2.854,1211 2.925,1212 2.931,1213 2.735,1214 4.559,1215 2.715,1216 2.831,1217 2.87,1218 2.772,1219 2.64,1220 4.122,1221 2.658,1222 2.524,1223 2.575,1224 2.687,1225 2.432,1226 3.695,1227 2.343,1228 2.203,1229 2.244,1230 2.392,1231 1.904,1232 3.674,1233 1.888,1234 0.219,1235 0.154,1236 0.313,1237 0.194,1238 0.15,1239 4.607,1240 0.217,1241 3.232,1242 0.049,1243 6.577,1244 0.499,1245 4.081,1246 0.139,1247 3.158,1248 4.565,1249 1.03,1250 10.488,1251 2.912,1252 1.902,1253 1.883,1254 1.99,1255 1.982,1256 1.1,1257 1.986,1258 1.796,1259 1.774,1260 1.81,1261 1.941,1262 0.946,1263 1.92,1264 1.335,1265 1.334,1266 1.419,1267 1.407,1268 0.648,1269 1.432,1270 1.21,1271 1.175,1272 1.257,1273 1.34,1274 0.569,1275 1.382,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.72,1283 0.684,1284 0.905,1285 0.997,1287 0.962,1288 0.458,1289 0.443,1290 0.626,1291 0.734,1293 0.74,1294 0.249,1295 0.176,1296 0.381,1297 0.527,1299 0.556,1300 3.761,1302 5.094,1303 2.398,1304 6.621,1305 4.727,1306 8.237,1307 6.862,1308 9.9,1311 5.666,1312 12.896,1314 9.828,1315 0.144,1326 20.263,1327 54.276,1328 101.163,1329 110.772,1330 118.382,1331 118.382,1332 118.382,1333 29.981,1334 6.691,1335 46.01,1336 74.25,1337 17,1338 12.262,1339 4.087,1340 3.17,1341 27.821,1342 55,1343 55,1344 0.265,1345 131.046,1346 215.78,1347 311.512,1348 5970,1349 7.4,1350 13.405,1351 0.706,1352 0.588,1353 13.389,1354 11.172,1355 9.169,1356 0.437,1357 0.326,1358 5.528,1359 8.109,1360 5.303,1361 4.335,1362 9.537,1363 6.836,1364 8.398,1365 0.28,1366 0.175,1367 8.596,1368 5.248,1369 7.163,1370 0.179,1371 0.101,1372 7.946,1373 4.057,1374 5.87,1375 0.111,1376 0.054,1377 6.786,1378 2.888,1379 4.832,1380 0.071,1381 0.029,1382 5.691,1383 1.996,1384 0.402,1385 65.246,1386 0.268,1387 18.776,1388 0.761,1389 102,1390 384.615,1391 149.447,1392 396.93,1393 521.67,1394 370,1395 121,1396 337.172,1397 164.689,1398 357.634,1399 528.62,1400 336,1401 4.493}
{0 CHEMBL1560894,1 1.386,2 10.682,3 2.663,4 7.092,5 86.029,6 6.456,7 0.261,8 3.899,9 4.024,10 3.33,11 3.408,12 4.892,13 3.358,14 4.492,15 4.689,16 3.643,17 3.794,18 5.447,19 3.707,20 4.79,21 5.026,22 3.706,23 3.953,24 5.688,25 3.84,26 4.839,27 5.065,28 3.644,29 3.909,30 5.883,31 3.792,32 4.812,33 5.065,34 3.489,35 3.824,36 5.814,37 3.684,38 4.676,39 4.951,40 3.372,41 3.764,42 5.508,43 3.593,44 4.668,45 4.966,46 3.305,47 3.668,48 5.639,49 3.486,50 4.466,51 4.762,52 3.038,53 3.501,54 5.227,55 3.318,56 0.022,57 0.626,58 11.006,59 4.777,60 5.81,61 6.525,62 0.295,63 1.016,64 20.681,65 7.701,66 29.596,67 10.974,68 0.282,69 1.254,70 28.073,71 9.886,72 36.564,73 14.15,74 0.382,75 1.236,76 30.041,77 9.921,78 64.163,79 13.977,80 0.557,81 1.164,82 29.463,83 9.278,84 77.572,85 13.339,86 0.191,87 1.087,88 24.618,89 8.931,90 34.372,91 13.148,92 0.43,93 1.023,94 24.814,95 8.402,96 71.384,97 12.628,98 0.226,99 0.836,100 20.107,101 7.031,102 32.997,103 10.342,104 20,105 30,106 0.242,107 0.525,108 0.747,109 0.805,110 0.816,111 0.816,112 3.145,113 1.058,114 -3.99,115 -3.95,116 -3.74,120 38.3,121 2,122 3,123 2,126 3,143 5,144 1,159 2,174 11,176 2,177 7,185 12,189 7,197 9,201 7,209 8,213 2,214 5,222 7,227 4,235 5,239 2,240 5,247 6,252 2,260 6,264 5,271 5,274 656,275 14.767,276 14.767,277 14.767,278 14.767,279 14.767,280 13.78,281 18.407,282 8.977,283 15.048,284 11.282,285 11.282,286 11.282,287 11.282,288 11.282,289 9.726,290 19.797,291 4.153,292 11.59,293 4.168,294 2.546,295 1.274,296 0.942,297 0.883,298 0.883,299 3.805,305 1,306 1,307 1,308 481,309 3.674,313 166.07,320 1.802,321 23.736,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 47.5,333 235,334 4.103,335 3.803,336 6.149,337 3.904,338 2.922,339 3.547,340 2.443,341 8.987,342 2.872,343 3.98,344 3.723,345 6.024,346 3.777,347 2.782,348 3.159,349 1.94,350 8.565,351 2.759,352 3.829,353 2.983,354 5.881,355 3.557,356 2.58,357 3.027,358 0.555,359 8.085,360 2.51,361 3.129,362 2.438,363 4.491,364 2.836,365 1.848,366 2.297,367 0.286,368 4.617,369 1.82,370 2.894,371 1.922,372 4.212,373 2.611,374 1.637,375 1.901,377 3.885,378 1.581,379 2.5,380 1.808,381 3.851,382 2.252,383 1.287,384 1.5,386 3.09,387 1.228,388 2.47,389 1.769,390 3.414,391 2,392 1,393 1.454,395 2.275,396 1,397 2.249,398 1.145,399 3.381,400 1.984,401 1,402 1.149,404 2.186,405 0.983,406 2.03,407 1.077,408 3.247,409 1.951,410 0.953,411 1,413 2.136,414 0.943,415 2,416 1,417 2.903,418 1.768,419 0.765,420 0.882,422 1.329,423 0.754,424 0.84,425 0.445,426 2.485,427 0.598,428 -0.393,429 -0.399,431 -0.785,432 -0.382,433 0.712,434 0.316,435 2,436 0.472,437 -0.552,438 -0.641,440 -1.091,441 -0.553,442 0.618,443 -0.132,444 1.947,445 0.381,446 -0.656,447 -0.823,449 -1.379,450 -0.682,451 0.557,452 -0.632,453 1.741,454 0.239,455 -0.765,456 -0.965,458 -1.629,459 -0.771,460 0.5,461 -0.783,462 1.555,464 -1,465 -1,467 -2.347,468 -0.946,469 10.4,470 0.473,471 0.473,472 0.021,473 22.25,474 1.011,475 9,476 0.409,477 13.25,478 0.602,479 20.895,480 0.95,481 25.6,482 0.545,483 14.991,484 0.681,485 4.145,486 0.188,487 6.468,488 0.294,489 0.16,491 0.279,496 0.658,497 1.445,498 0.913,499 1.306,500 0.531,501 1.169,502 0.704,503 1.144,504 0.971,505 1.096,506 0.519,507 1.069,508 1.071,509 1.026,510 1.019,511 1.019,512 0.945,513 1.005,514 1.535,515 1.142,516 1.213,517 1.118,518 1.696,519 1.121,520 1.504,521 0.865,522 1.175,523 0.868,524 1.743,525 0.962,526 0.644,527 1.106,528 0.919,529 1.08,530 0.71,531 1.045,532 0.491,533 0.885,534 0.797,535 0.88,536 0.506,537 0.878,538 0.82,539 0.796,540 0.908,541 0.845,542 0.768,543 0.879,544 4,545 0.074,546 2.889,547 1.313,548 0.813,549 0.792,550 0.387,551 0.177,552 0.156,553 0.123,554 4971,555 12104,556 1.969,557 53.2,558 4,559 11,563 3,564 7,567 1.64,568 1.833,569 3.395,570 -0.807,571 1,572 1,575 65.156,576 1.386,577 3.009,578 4.281,579 4.613,580 4.671,581 4.671,582 2.902,583 3.823,584 4.428,585 3.527,586 814.83,587 7.585,588 9245.75,590 1,592 1,593 261.066,594 1.435,595 4.382,596 0.174,597 0.007,598 0.096,599 0.042,600 0.03,601 0.034,602 0.018,603 0.009,604 0.01,605 0.009,606 0.432,607 0.5,608 1,609 1.258,610 103.095,611 0.01,612 -0.168,613 0.045,614 -0.082,615 -0.005,616 -0.025,617 0.161,618 0.001,619 0.009,620 -0.023,621 0.085,622 -0.029,623 -0.088,624 0.013,625 -0.033,626 -0.016,627 -0.066,628 -0.012,629 -0.182,630 -0.156,631 -0.181,632 -0.143,633 -0.171,634 -0.161,635 -0.131,636 0.086,637 -0.141,638 0.058,639 -0.182,640 -0.034,641 0.019,642 -0.129,643 0.013,644 -0.095,645 0.036,646 -0.05,647 0.265,648 0.043,649 0.149,650 0.049,651 0.273,652 0.08,653 -0.045,654 0.136,655 0.038,656 0.097,657 -0.053,658 0.086,659 1.785,660 5.394,661 0.545,662 20,663 0.993,664 1.13,665 2.765,666 7.644,667 0.628,668 3.178,669 3.434,670 3.638,671 3.761,672 3.892,673 3.85,674 3.892,675 3.761,676 3.807,677 3.664,678 6.167,679 0.585,680 303.44,681 3.178,682 4.673,683 5.485,684 6.319,685 7.148,686 7.987,687 8.821,688 9.662,689 10.499,690 11.341,691 2.1,698 1,709 5,714 1,716 6,738 47,739 8,740 1,741 23,743 48,744 18,745 6,746 1,747 5,752 2,753 2,759 2,763 2,764 1,766 3,768 8,769 10,770 2,772 2,778 2,782 2,785 1,786 1,789 25,790 4,792 4,797 1,803 1,804 3,823 2,839 1,841 1,855 2,859 2,862 22,869 6,872 1,874 2,875 1,886 6.4,889 2,891 1,893 12,894 8.783,895 5.083,896 3.194,898 1.057,899 1.168,900 0.908,901 6.292,902 7.365,903 3.367,904 3.773,905 4.139,906 4.444,907 4.768,908 4.612,909 4.794,910 4.635,911 4.847,912 4.728,913 1,914 31,915 8.22,917 3.385,918 7.78,919 15.902,921 12.852,924 2.28,925 50.167,928 1,929 294.278,930 96.521,931 3.124,933 61.29,936 96.521,937 355.567,938 3.124,939 17.65,940 19.532,941 47.381,942 62.186,943 14.185,945 294.278,947 294.278,948 99.645,949 61.29,952 211.88,953 143.687,956 37.182,957 62.463,960 294.278,961 64.414,962 96.521,965 294.278,966 31.489,967 68.156,969 61.29,970 294.278,971 64.414,972 96.521,973 0.564,974 0.329,975 0.166,976 0.083,977 12,978 6,979 0.125,980 6,982 1,983 3.45,984 155.853,986 12,987 90.107,993 16.857,994 8.212,995 4.749,997 64.414,998 10.107,1003 1.192,1006 455.212,1007 28,1013 24.106,1017 0.061,1020 46.687,1021 53.109,1022 0.25,1023 0.542,1024 0.771,1025 0.83,1026 0.841,1027 0.841,1028 4.58,1029 1,1030 5.442,1031 2.275,1032 4.111,1033 4.454,1034 2.875,1035 6.184,1036 4.071,1037 5.708,1038 0.953,1039 6.969,1040 2.186,1041 3.611,1042 4.034,1043 2.619,1044 6.986,1045 3.573,1046 6.961,1047 0.765,1048 8.599,1049 2.136,1050 5.638,1051 6.348,1052 4.175,1053 10.023,1054 5.563,1055 8.243,1056 -0.393,1057 10.289,1058 1.329,1059 5.969,1060 6.704,1061 4.536,1062 11.626,1063 5.893,1064 9.558,1065 -0.552,1066 12.017,1067 -0.785,1068 7.448,1069 8.528,1070 5.713,1071 14.145,1072 7.344,1073 10.893,1074 -0.656,1075 13.768,1076 -1.091,1077 8.153,1078 9.223,1079 6.337,1080 16.058,1081 8.044,1082 12.243,1083 -0.765,1084 15.534,1085 -1.379,1086 9.395,1087 10.839,1088 7.357,1089 18.38,1090 9.263,1091 2.922,1092 -1,1093 17.31,1094 -1.629,1095 10.276,1096 11.707,1097 8.11,1098 20.427,1099 10.135,1100 2.782,1101 8.987,1102 19.094,1103 -2.347,1104 11.412,1105 13.215,1106 9.059,1107 22.665,1108 11.252,1109 2.58,1110 8.565,1111 20.882,1112 3.547,1113 12.378,1114 14.187,1115 9.878,1116 24.774,1117 12.207,1118 1.848,1119 8.085,1120 22.673,1121 3.159,1122 13.465,1123 15.628,1124 10.795,1125 26.976,1126 13.277,1127 1.637,1128 4.617,1129 24.467,1130 3.027,1131 14.473,1132 16.672,1133 11.648,1134 29.115,1135 14.272,1136 1.287,1137 3.885,1138 26.263,1139 2.297,1140 15.539,1141 18.067,1142 12.551,1143 31.301,1144 15.322,1145 1,1146 3.09,1147 28.06,1148 1.901,1149 16.568,1150 19.165,1151 13.422,1152 33.456,1153 16.337,1154 5052,1155 7951,1156 14.909,1157 29.506,1158 34.019,1159 34.894,1160 34.931,1161 33.537,1162 33.549,1163 39.833,1164 10.449,1165 90.306,1166 32.898,1167 5.103,1168 5.803,1169 5.951,1170 4.939,1171 4.922,1172 6.547,1173 4.174,1174 15.416,1175 4.872,1176 11.68,1177 1.479,1178 1.517,1179 1.519,1180 1.458,1181 1.459,1182 1.732,1183 0.454,1184 3.926,1185 1.43,1186 3.968,1187 4.007,1188 3.886,1189 3.891,1190 7.433,1191 3.884,1192 3.869,1193 3.911,1194 3.777,1195 3.731,1196 7.426,1197 3.734,1198 3.601,1199 3.637,1200 3.512,1201 3.439,1202 4.754,1203 3.44,1204 3.49,1205 3.556,1206 3.319,1207 3.281,1208 4.474,1209 3.279,1210 3.264,1211 3.323,1212 3.106,1213 3.047,1214 4.228,1215 3.059,1216 3.111,1217 3.206,1218 2.884,1219 2.941,1220 4.046,1221 2.91,1222 3.03,1223 3.074,1224 2.866,1225 2.765,1226 3.674,1227 2.784,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.642,1233 2.715,1234 0.178,1235 0.165,1236 0.267,1237 0.17,1238 0.127,1239 4.103,1240 0.154,1241 3.803,1242 0.106,1243 6.149,1244 0.391,1245 3.904,1246 0.125,1247 2.922,1248 3.547,1249 2.443,1250 8.987,1251 2.872,1252 1.942,1253 1.912,1254 2.082,1255 2.056,1256 1.409,1257 2.064,1258 1.841,1259 1.794,1260 2.028,1261 1.995,1262 1.282,1263 2.01,1264 1.567,1265 1.521,1266 1.806,1267 1.769,1268 0.94,1269 1.775,1270 1.474,1271 1.405,1272 1.788,1273 1.7,1274 0.927,1275 1.732,1276 1.208,1277 1.152,1278 1.513,1279 1.469,1280 0.825,1281 1.468,1282 1.153,1283 1.064,1284 1.464,1285 1.376,1286 0.635,1287 1.429,1288 0.957,1289 0.9,1290 1.283,1291 1.26,1292 0.48,1293 1.263,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.85,1302 5.118,1304 6.586,1306 8.136,1308 9.725,1310 3.903,1315 3.683,1318 5.057,1320 0.173,1321 1.884,1326 27.487,1327 65.156,1328 141.408,1329 201.191,1330 216.801,1331 219.556,1332 219.556,1333 53.246,1334 6.308,1335 46.61,1336 46.61,1337 12,1338 11.906,1339 3.17,1340 2.585,1341 42.475,1342 81,1343 84,1344 0.258,1345 172.792,1346 308.51,1347 413.372,1348 3934,1350 15.949,1351 0.725,1352 0.612,1353 15.949,1354 13.456,1355 10.613,1356 0.461,1357 0.353,1358 8.018,1359 10.23,1360 7.781,1361 6.467,1362 10.613,1363 8.108,1364 9.029,1365 0.301,1366 0.197,1367 9.029,1368 5.923,1369 7.368,1370 0.199,1371 0.117,1372 7.368,1373 4.317,1374 5.649,1375 0.134,1376 0.069,1377 5.649,1378 2.915,1379 4.003,1380 0.083,1381 0.041,1382 4.003,1383 1.985,1384 0.411,1385 66.318,1386 0.259,1387 22.125,1388 0.69,1389 106,1390 308.852,1391 116.496,1392 289.055,1393 380.65,1394 270,1395 120,1396 262.544,1397 129.641,1398 261.663,1399 378,1400 247,1401 4.871}
{0 CHEMBL1561133,1 1.565,2 12.515,3 4.636,4 21.489,5 135.973,6 8.368,7 0.486,8 4.179,9 4.296,10 3.84,11 3.745,12 5.288,13 3.706,14 4.689,15 4.867,16 4.213,17 4.106,18 5.776,19 4.044,20 4.909,21 5.099,22 4.238,23 4.224,24 5.996,25 4.122,26 5.018,27 5.26,28 4.114,29 4.157,30 6.07,31 4.055,32 4.906,33 5.125,34 4.133,35 4.074,36 6.126,37 4.01,38 4.855,39 5.059,40 4.253,41 4.082,42 6.05,43 4.027,44 4.87,45 5.06,46 4.228,47 4.122,48 6.067,49 4.058,50 4.899,51 5.087,52 4.122,53 4.141,54 6.041,55 4.072,56 0.019,57 0.832,58 11.094,59 5.596,60 7.556,61 7.217,62 0.239,63 1.313,64 23.326,65 9.174,66 24.813,67 12.064,68 0.291,69 1.541,70 36.656,71 12.37,72 44.522,73 15.694,74 0.467,75 1.633,76 43.967,77 13.09,78 66.5,79 17.049,80 0.633,81 1.474,82 32.236,83 10.956,84 93.032,85 14.392,86 0.482,87 1.438,88 32.448,89 10.396,90 61.776,91 13.385,92 0.381,93 1.437,94 33.898,95 10.973,96 66.275,97 13.415,98 0.406,99 1.482,100 32.973,101 11.112,102 69.174,103 13.76,104 43,105 47,106 0.252,107 0.574,108 0.739,109 0.821,110 0.837,111 0.837,112 3.531,113 0.985,114 -4.41,115 -4.34,116 -4.09,118 1,120 42.6,121 1,122 1,125 2,126 2,136 1,139 1,143 10,144 3,145 1,153 2,159 2,174 12,177 6,180 2,182 3,185 16,189 5,192 1,193 1,194 3,197 13,201 6,204 2,206 3,209 8,213 2,214 3,217 2,219 5,222 7,226 2,227 7,232 5,235 6,240 9,243 1,245 5,247 7,252 6,257 5,260 10,263 2,264 8,269 3,271 10,274 2500,275 21.792,276 21.792,277 21.792,278 21.792,279 21.792,280 19.318,281 20.843,282 13.037,283 22.139,284 17.259,285 17.259,286 17.259,287 17.259,288 17.259,289 13.471,290 23.231,291 6.255,292 17.833,293 4.366,294 2.359,295 1.336,296 0.824,297 0.726,298 0.726,299 4.21,307 1,308 858,309 4.583,312 111.161,313 264.194,320 1.893,321 30.795,324 0.75,325 0.83,326 0.67,327 0.7,328 0.5,329 0.83,330 1,331 0.75,332 70.25,333 413,334 4.346,335 3.647,336 6.208,337 3.965,338 2.971,339 4.004,340 1.058,341 9.311,342 2.953,343 4.226,344 3.481,345 6.143,346 3.872,347 2.875,348 3.772,349 1.058,350 9.019,351 2.863,352 4.076,353 2.985,354 5.918,355 3.685,356 2.684,357 3.573,358 0.8,359 8.241,360 2.68,361 3.825,362 2.787,363 5.291,364 3.37,365 2.419,366 3.308,368 6.74,369 2.316,370 3.635,371 2.591,372 5.02,373 3.263,374 2.261,375 2.981,377 6.008,378 2.262,379 3.461,380 2.577,381 5.003,382 3.148,383 2.227,384 2.753,386 5.944,387 2.048,388 3.232,389 2.358,390 4.66,391 3.04,392 2.113,393 2.235,395 5.184,396 1.851,397 2.971,398 1.944,399 4.349,400 2.584,401 1.628,402 2.039,404 4.204,405 1.541,406 2.782,407 1.856,408 4.18,409 2.315,410 1.319,411 1.834,413 3.654,414 1.299,415 2.561,416 1.669,417 3.85,418 2.265,419 1.285,420 1.522,422 3.005,423 1.222,424 2.5,425 1.338,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.324,443 1,444 3.325,445 1.928,446 0.92,447 1.203,449 2.227,450 0.912,451 2.175,452 0.76,453 3.266,454 1.686,455 0.69,456 1.013,458 1.674,459 0.683,460 1.395,461 0.722,462 2.792,463 1.215,464 0.233,465 0.257,467 0.49,468 0.227,469 16.533,470 0.501,471 0.859,472 0.026,473 40.75,474 1.235,475 20.5,476 0.621,477 20.25,478 0.614,479 30.331,480 0.919,481 35.067,482 0.575,483 33.383,484 1.012,485 8.279,486 0.251,487 7.533,488 0.228,489 0.212,491 0.296,496 0.748,497 1.285,498 0.538,499 0.947,500 0.591,501 0.939,502 0.82,503 0.983,504 0.606,505 0.815,506 0.541,507 0.852,508 1.032,509 1.145,510 0.97,511 1.11,512 0.919,513 1.114,514 1.222,515 0.907,516 0.736,517 0.857,518 1.294,519 0.869,520 1.176,521 0.952,522 0.4,523 0.727,524 1.265,525 0.793,526 1.209,527 1.009,528 0.556,529 0.84,530 1.368,531 0.845,532 1.655,533 0.981,534 0.813,535 0.882,536 1.906,537 0.904,538 1.711,539 1.057,540 0.676,541 0.884,542 1.858,543 0.962,544 7.5,545 0.261,546 3.778,547 1.722,548 1.574,549 1.129,550 0.727,551 0.581,552 0.361,553 0.392,554 15182,555 41826,556 1.994,557 45.9,558 3,559 21,562 2,565 2,567 1.758,568 1.85,569 3.596,570 0.162,575 95.448,576 1.565,577 3.572,578 4.595,579 5.107,580 5.205,581 5.205,582 3.057,583 4.741,584 5.01,585 3.812,586 2012.94,587 8.81,588 31655.5,593 361.775,594 1.462,595 4.964,596 0.214,597 0.007,598 0.08,599 0.038,600 0.037,601 0.026,602 0.016,603 0.013,604 0.008,605 0.009,606 0.449,607 0.17,608 0.88,609 1.517,610 176.849,611 -0.035,612 -0.118,613 0.005,614 -0.033,615 -0.057,616 -0.001,617 0.057,618 0.132,619 0.044,620 0.089,621 0.101,622 0.084,623 -0.029,624 -0.117,625 -0.067,626 -0.14,627 -0.001,628 -0.149,629 -0.036,630 0.07,631 -0.002,632 0.049,633 -0.052,634 0.081,635 0.192,636 0.049,637 0.064,638 0.113,639 0.197,640 0.121,641 0.099,642 0.031,643 0.074,644 0.035,645 0.049,646 0.069,647 -0.194,648 0.043,649 -0.021,650 0.036,651 -0.159,652 0.013,653 -0.269,654 -0.038,655 -0.065,656 -0.001,657 -0.235,658 -0.051,659 2.032,660 5.873,661 0.515,662 40.887,663 1,664 1.121,665 3.182,666 10.123,667 0.682,668 3.584,669 3.871,670 4.043,671 4.22,672 4.407,673 4.454,674 4.5,675 4.595,676 4.691,677 4.71,678 7.762,679 0.641,680 510.47,681 3.584,682 5.106,683 5.916,684 6.763,685 7.594,686 8.445,687 9.287,688 10.141,689 10.988,690 11.845,691 4.9,694 1,698 2,709 10,712 1,714 6,716 17,723 1,737 1,738 61,739 20,740 2,741 35,742 1,743 63,744 26,745 16,746 4,747 8,748 4,752 3,753 3,759 1,766 1,768 20,769 6,772 3,778 2,780 1,782 3,788 1,789 28,790 6,791 2,792 7,793 1,797 3,803 1,804 3,822 1,823 2,838 1,845 2,851 1,855 3,858 1,859 3,862 33,869 3,871 2,875 1,885 1,886 4.9,889 2,891 1,893 17.833,894 11.76,895 7.333,896 3.508,898 3.282,899 1.45,900 0.966,901 9.068,902 10.576,903 3.861,904 4.41,905 4.915,906 5.413,907 5.881,908 6.131,909 6.431,910 6.776,911 7.134,912 7.374,913 1,914 45,915 12.225,917 5.035,918 7.765,919 23.186,921 18.198,924 2.265,925 74.75,929 306.049,930 172.278,931 85.1,933 59.797,936 218.232,937 365.846,938 39.146,939 25.618,940 42.767,941 104.239,942 62.456,943 25.243,944 10.898,945 306.049,946 45.954,947 306.049,948 211.424,949 59.797,951 45.954,952 282.506,953 83.339,956 54.717,957 144.474,958 12.233,959 45.954,960 306.049,961 98.943,962 218.232,965 306.049,966 42.421,967 132.981,968 81.976,969 59.797,970 306.049,971 98.943,972 218.232,973 0.577,974 0.313,975 0.152,976 0.086,977 19,978 10,979 0.143,980 9,982 1,983 4.408,984 283.186,986 17,987 156.465,993 24.97,994 11.984,995 7.707,997 98.943,998 18.53,1001 5.921,1003 4.556,1005 36.022,1006 623.224,1007 46.5,1013 25.638,1015 1.551,1017 -0.595,1020 61.003,1021 68.362,1022 0.264,1023 0.602,1024 0.775,1025 0.861,1026 0.878,1027 0.878,1028 5.077,1029 1.628,1030 5.889,1031 5.184,1032 4.554,1033 5.097,1034 1.863,1035 6.624,1036 4.502,1037 6.272,1038 1.319,1039 7.408,1040 4.204,1041 4.111,1042 4.82,1043 0.325,1044 7.38,1045 4.017,1046 7.558,1047 1.285,1048 9.021,1049 3.654,1050 6.084,1051 7.212,1052 1.868,1053 10.405,1054 6.005,1055 8.876,1056 1,1057 10.688,1058 3.005,1059 6.415,1060 7.723,1061 0.268,1062 11.965,1063 6.32,1064 10.223,1065 1,1066 12.389,1067 2.275,1068 7.867,1069 9.589,1070 1.93,1071 14.497,1072 7.777,1073 11.589,1074 0.92,1075 14.115,1076 2.275,1077 8.555,1078 10.473,1079 0.188,1080 16.403,1081 8.466,1082 12.971,1083 0.69,1084 15.858,1085 2.227,1086 9.788,1087 12.1,1088 2.01,1089 18.747,1090 9.698,1091 2.971,1092 0.233,1093 17.615,1094 1.674,1095 10.658,1096 13.184,1097 0.125,1098 20.813,1099 10.572,1100 2.875,1101 9.311,1102 19.383,1103 0.49,1104 11.793,1105 14.689,1106 2.099,1107 23.079,1108 11.705,1109 2.684,1110 9.019,1111 21.159,1112 4.004,1113 12.756,1114 15.886,1115 0.082,1116 25.22,1117 12.672,1118 2.419,1119 8.241,1120 22.941,1121 3.772,1122 13.848,1123 17.326,1124 2.193,1125 27.454,1126 13.762,1127 2.261,1128 6.74,1129 24.729,1130 3.573,1131 14.861,1132 18.589,1133 0.054,1134 29.631,1135 14.775,1136 2.227,1137 6.008,1138 26.522,1139 3.308,1140 15.935,1141 19.995,1142 2.291,1143 31.851,1144 15.847,1145 2.113,1146 5.944,1147 28.318,1148 2.981,1149 16.974,1150 21.298,1151 0.035,1152 34.046,1153 16.884,1154 14979,1155 25096,1156 22.77,1157 41.631,1158 52.159,1159 53.337,1160 53.094,1161 51.531,1162 51.251,1163 66.99,1164 5.833,1165 140.501,1166 49.715,1167 5.296,1168 5.647,1169 5.896,1170 4.989,1171 4.971,1172 7.004,1173 2.117,1174 15.667,1175 4.953,1176 19.348,1177 1.49,1178 1.524,1179 1.517,1180 1.472,1181 1.464,1182 1.914,1183 0.167,1184 4.014,1185 1.42,1186 4.032,1187 4.045,1188 6.88,1189 3.948,1190 7.434,1191 3.949,1192 3.935,1193 3.958,1194 3.974,1195 3.874,1196 7.424,1197 3.869,1198 3.794,1199 3.838,1200 3.874,1201 3.702,1202 5.079,1203 3.702,1204 3.727,1205 3.78,1206 3.687,1207 3.544,1208 4.716,1209 3.548,1210 3.577,1211 3.622,1212 3.58,1213 3.387,1214 4.68,1215 3.405,1216 3.397,1217 3.471,1218 3.474,1219 3.171,1220 4.356,1221 3.182,1222 3.248,1223 3.299,1224 3.282,1225 3.095,1226 4.241,1227 3.084,1228 2.987,1229 3.072,1230 3.095,1231 2.871,1232 4.028,1233 2.818,1234 0.124,1235 0.104,1236 0.177,1237 0.113,1238 0.085,1239 4.346,1240 0.114,1241 3.647,1242 0.03,1243 6.208,1244 0.266,1245 3.965,1246 0.084,1247 2.971,1248 4.004,1249 1.058,1250 9.311,1251 2.953,1252 1.929,1253 1.905,1254 2.044,1255 2.021,1256 1.233,1257 2.027,1258 1.902,1259 1.885,1260 1.975,1261 1.966,1262 1.141,1263 1.979,1264 1.73,1265 1.686,1266 1.95,1267 1.941,1268 1.103,1269 1.949,1270 1.645,1271 1.588,1272 1.783,1273 1.835,1274 0.867,1275 1.822,1276 1.417,1277 1.371,1278 1.691,1279 1.652,1280 0.809,1281 1.666,1282 1.357,1283 1.284,1284 1.568,1285 1.534,1286 0.638,1287 1.544,1288 1.276,1289 1.246,1290 1.496,1291 1.472,1292 0.575,1293 1.475,1294 1.111,1295 1.082,1296 1.417,1297 1.376,1298 0.469,1299 1.351,1300 4.263,1302 5.557,1303 2.398,1304 7.017,1305 4.595,1306 8.551,1307 6.581,1308 10.127,1309 3.424,1310 5.915,1315 2.146,1317 5.614,1321 2.05,1326 39.082,1327 95.448,1328 217.899,1329 280.291,1330 311.51,1331 317.51,1332 317.51,1333 76.111,1334 7.294,1335 74.58,1336 74.58,1337 17,1338 12.4,1339 4.392,1340 3.644,1341 63.857,1342 142,1343 169,1344 0.2,1345 250.075,1346 438.19,1347 601.944,1348 14037,1349 1.6,1350 23.794,1351 0.721,1352 0.624,1353 24.794,1354 20.608,1355 15.813,1356 0.452,1357 0.328,1358 10.616,1359 14.732,1360 10.192,1361 8.566,1362 16.39,1363 11.493,1364 14.343,1365 0.305,1366 0.19,1367 15.16,1368 8.915,1369 10.981,1370 0.196,1371 0.097,1372 11.558,1373 5.445,1374 8.282,1375 0.124,1376 0.05,1377 8.615,1378 3.357,1379 6.546,1380 0.081,1381 0.028,1382 6.974,1383 2.253,1384 0.316,1385 106.862,1386 0.21,1387 31.015,1388 0.542,1389 164,1390 486.172,1391 243.697,1392 508.401,1393 673.53,1394 472,1395 185,1396 458.631,1397 227.315,1398 481.191,1399 692.5,1400 449,1401 4.618}
{0 CHEMBL1561171,1 1.549,2 10.042,3 4.393,4 19.298,5 98.293,6 8.182,7 0.778,8 3.828,9 3.946,10 3.546,11 3.463,12 4.946,13 3.411,14 4.33,15 4.496,16 3.984,17 3.852,18 5.368,19 3.796,20 4.513,21 4.692,22 3.959,23 3.961,24 5.562,25 3.857,26 4.661,27 4.926,28 3.803,29 3.906,30 5.56,31 3.765,32 4.506,33 4.76,34 3.699,35 3.771,36 5.442,37 3.635,38 4.245,39 4.494,40 3.5,41 3.55,42 5.149,43 3.427,44 3.883,45 4.038,46 3.405,47 3.348,48 4.97,49 3.294,50 4.063,51 4.28,52 3.374,53 3.373,54 5.169,55 3.331,56 0.059,57 0.657,58 7.682,59 3.665,60 8.722,61 4.59,62 0.137,63 1.076,64 16.105,65 6.014,66 13.796,67 7.897,68 0.151,69 1.248,70 18.601,71 7.62,72 21.75,73 10.002,74 0.193,75 1.325,76 26.749,77 9.761,78 30.08,79 12.964,80 0.209,81 1.176,82 23.593,83 8.039,84 27.678,85 10.219,86 0.174,87 0.914,88 19.46,89 6.442,90 18.227,91 7.958,92 0.054,93 0.693,94 10.329,95 3.697,96 9.838,97 4.378,98 0.213,99 0.821,100 11.622,101 3.016,102 21.088,103 3.777,104 11,105 40,106 0.269,107 0.595,108 0.688,109 0.754,110 0.754,111 0.754,112 3.229,113 0.954,114 -5.73,115 -5.59,116 -5.21,120 43.9,121 3,124 1,143 7,144 2,146 1,147 1,162 2,163 1,167 2,174 12,176 2,177 7,185 15,188 3,189 10,197 12,200 1,201 10,209 9,213 1,214 9,222 6,226 1,227 8,235 3,240 12,247 4,252 9,260 6,264 1,271 8,274 788,275 16.057,276 16.057,277 16.057,278 16.057,279 16.057,280 13.747,281 6.063,282 9.258,283 16.46,284 13.354,285 13.354,286 13.354,287 13.354,288 13.354,289 9.87,290 5.882,291 4.408,292 14.072,293 3.809,294 1.925,295 1.389,296 1.007,297 1.007,298 1.007,299 3.924,306 1,307 1,308 527,309 3.082,312 104.758,313 146.131,315 85.821,320 1.715,321 13.189,323 1,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 50.5,333 241,334 4.66,335 3.539,336 7.111,337 4.317,338 3.32,339 4.617,341 11.661,342 3.315,343 4.433,344 3.215,345 6.748,346 4.127,347 3.209,348 3.861,350 11.065,351 2.959,352 4.125,353 2.774,354 6.144,355 3.716,356 2.773,357 3.652,359 9.064,360 2.606,361 3.802,362 2.389,363 5.678,364 3.34,365 2.388,366 3.247,368 7.509,369 2.263,370 3.272,371 1.83,372 4.757,373 2.781,374 1.829,375 2.606,377 5.139,378 1.734,379 3.1,380 1.682,381 4.483,382 2.636,383 1.68,384 2.331,386 4.315,387 1.601,388 2.816,389 1.354,390 4.399,391 2.285,392 1.35,393 1.954,395 4.12,396 1.253,397 2.68,398 1.217,399 3.952,400 2.163,401 1.213,402 1.758,404 3.028,405 1.136,406 2.5,407 1,408 3.478,409 2,410 1,411 1.5,413 2.389,414 1,415 2.5,416 1,417 3.414,418 1.959,419 1,420 1.5,422 2.275,423 0.956,424 2.393,425 0.9,426 3.247,427 1.815,428 0.899,429 1.341,431 2.136,432 0.814,433 1.691,434 0.239,435 3.103,436 1.14,437 0.231,438 0.331,440 0.629,441 0.205,442 0.891,443 -0.41,444 2.779,445 0.468,446 -0.502,447 -0.67,449 -1.275,450 -0.485,451 0.763,452 -0.652,453 2.414,454 0.296,455 -0.653,456 -0.885,458 -1.516,459 -0.619,460 0.5,461 -1,462 2.256,464 -1,465 -1,467 -2.347,468 -0.972,469 11.833,470 0.493,471 0.737,472 0.031,473 33.25,474 1.385,475 18,476 0.75,477 15.25,478 0.635,479 19.411,480 0.809,481 24.167,482 0.589,483 21.006,484 0.875,485 6.087,486 0.254,487 5.434,488 0.226,489 0.127,490 0.042,491 0.287,496 0.591,497 1.056,498 0.699,499 0.888,500 0.814,501 0.869,502 0.618,503 1.122,504 0.647,505 0.909,506 0.65,507 0.772,508 0.619,509 1.209,510 0.875,511 1.149,512 0.774,513 1.159,514 0.787,515 0.949,516 0.768,517 0.848,518 0.768,519 0.859,520 1.139,521 0.958,522 0.997,523 0.913,524 1.036,525 0.893,526 1.109,527 0.89,528 1.084,529 0.918,530 0.873,531 0.788,532 1.417,533 1.535,534 1.184,535 1.243,536 0.996,537 1.088,538 2.639,539 0.846,540 1.067,541 0.564,542 1.87,543 0.808,544 5.5,545 0.115,546 3.333,547 1.604,548 0.993,549 0.897,550 0.517,551 0.342,552 0.211,553 0.157,554 6633,555 15871,556 2.125,557 41.5,558 9,559 7,561 1,567 1.666,568 1.986,569 3.297,570 -0.74,572 1,575 63.504,576 1.549,577 3.432,578 3.969,579 4.351,580 4.351,581 4.351,582 2.757,583 3.855,584 4.553,585 3.468,586 957.081,587 7.846,588 11094.2,590 1,592 1,593 219.66,594 1.564,595 4.509,596 0.204,597 0.013,598 0.083,599 0.043,600 0.031,601 0.032,602 0.022,603 0.015,604 0.01,605 0.01,606 0.463,607 0.33,608 0.88,609 0.757,610 113.943,611 0.264,612 0.021,613 0.087,614 0.015,615 -0.014,616 0.005,617 0.325,618 -0.081,619 0.272,620 0.05,621 0.222,622 0.151,623 0.24,624 -0.211,625 -0.002,626 -0.212,627 0.12,628 -0.223,629 0.13,630 -0.041,631 0.2,632 0.123,633 0.177,634 0.165,635 -0.036,636 0.02,637 0.063,638 0.09,639 0.012,640 0.096,641 -0.004,642 0.107,643 0.073,644 0.149,645 0.145,646 0.214,647 -0.193,648 -0.414,649 -0.22,650 -0.302,651 0.03,652 -0.23,653 -0.813,654 0.347,655 -0.299,656 0.15,657 -0.444,658 -0.043,659 1.12,660 1.638,661 0.833,662 21.972,663 0.997,664 1.12,665 4.496,666 20.211,667 0.713,668 3.332,669 3.714,670 3.989,671 4.263,672 4.466,673 4.644,674 4.844,675 4.905,676 5.043,677 5.13,678 5.974,679 0.67,680 335.47,681 3.332,682 4.905,683 5.771,684 6.676,685 7.562,686 8.47,687 9.365,688 10.276,689 11.176,690 12.089,691 12.2,699 1,701 4,708 1,709 8,710 4,713 1,714 5,716 21,738 41,739 21,740 1,741 27,743 44,744 18,745 14,746 2,747 4,752 4,753 5,759 3,760 1,768 14,769 4,786 1,789 17,790 4,792 6,793 1,797 5,803 0.75,816 1,822 2,823 2,825 1,855 3,857 1,859 3,862 24,876 1,883 1,893 12.083,894 8.583,895 5.028,896 2.44,898 3.947,899 1.526,900 0.998,901 3.597,902 11.451,903 3.651,904 4.331,905 4.992,906 5.651,907 6.188,908 6.64,909 7.187,910 7.566,911 8.055,912 8.457,913 0.857,914 37,915 8.813,917 3.748,918 7.545,919 17.075,921 14.207,924 2.045,925 49.083,928 1,929 200.109,930 145.52,931 67.939,935 31.278,936 114.242,937 200.109,938 67.939,939 26.476,941 66.334,942 81.803,943 19.339,945 219.615,947 200.109,948 182.181,950 31.278,952 200.109,956 42.701,957 72.705,958 66.775,959 31.278,960 200.109,961 67.939,962 145.52,965 200.109,966 43.663,967 103.021,969 66.775,970 200.109,971 67.939,972 145.52,973 0.599,974 0.341,975 0.176,976 0.091,977 22,978 9,979 0.068,980 3,981 1,982 1.1,983 3.641,984 202.901,985 0.1,986 20,987 101.284,989 1,993 15.254,994 5.66,995 2.828,996 0.769,997 66.775,998 16.009,999 17.536,1002 1.489,1003 4.742,1006 413.567,1007 37.5,1020 40.887,1021 45.903,1022 0.289,1023 0.641,1024 0.741,1025 0.812,1026 0.812,1027 0.812,1028 4.9,1029 1.213,1030 5.808,1031 4.12,1032 4.394,1033 5.017,1035 6.688,1036 4.296,1037 6.155,1038 1,1039 7.418,1040 3.028,1041 4.205,1042 4.89,1044 7.895,1045 4.083,1046 7.495,1047 1,1048 9.14,1049 2.389,1050 6.107,1051 7.312,1053 10.924,1054 5.931,1055 8.877,1056 0.899,1057 10.929,1058 2.275,1059 6.735,1060 8.033,1062 12.918,1063 6.539,1064 10.291,1065 0.231,1066 12.761,1067 2.136,1068 8.161,1069 9.919,1071 15.527,1072 7.928,1073 11.728,1074 -0.502,1075 14.621,1076 0.629,1077 9.115,1078 11.041,1080 17.793,1081 8.866,1082 13.183,1083 -0.653,1084 16.499,1085 -1.275,1086 10.376,1087 12.704,1089 20.279,1090 10.101,1091 3.32,1092 -1,1093 18.392,1094 -1.516,1095 11.462,1096 14.025,1098 22.646,1099 11.175,1100 3.209,1101 11.661,1102 20.295,1103 -2.347,1104 12.667,1105 15.595,1107 25.095,1108 12.362,1109 2.773,1110 11.065,1111 22.205,1112 4.617,1113 13.807,1114 17.016,1116 27.502,1117 13.492,1118 2.388,1119 9.064,1120 24.122,1121 3.861,1122 14.993,1123 18.55,1125 29.94,1126 14.667,1127 1.829,1128 7.509,1129 26.044,1130 3.652,1131 16.157,1132 20.021,1134 32.365,1135 15.824,1136 1.68,1137 5.139,1138 27.97,1139 3.247,1140 17.339,1141 21.543,1143 34.802,1144 16.999,1145 1.35,1146 4.315,1147 29.899,1148 2.606,1149 18.513,1150 23.04,1152 37.234,1153 18.17,1154 6300,1155 10015,1156 18.087,1157 29.245,1158 42.608,1159 41.674,1160 41.916,1161 41.713,1162 41.782,1163 57.392,1165 126.66,1166 39.681,1167 5.36,1168 5.539,1169 6.913,1170 5.486,1171 5.32,1172 7.617,1174 18.873,1175 5.315,1176 10.901,1177 1.578,1178 1.543,1179 1.552,1180 1.545,1181 1.547,1182 2.126,1184 4.691,1185 1.47,1186 4.123,1187 4.168,1188 4.361,1189 4.01,1190 5.218,1191 4,1192 3.912,1193 3.945,1194 3.89,1195 3.855,1196 4.877,1197 3.835,1198 3.795,1199 3.845,1200 3.744,1201 3.666,1202 4.7,1203 3.669,1204 3.543,1205 3.6,1206 3.469,1207 3.451,1208 4.351,1209 3.423,1210 3.069,1211 3.114,1212 3.195,1213 2.97,1214 4.213,1215 2.954,1216 2.874,1217 3.009,1218 2.733,1219 2.735,1220 3.829,1221 2.715,1222 2.874,1223 3.009,1224 2.687,1225 2.672,1226 3.674,1227 2.643,1228 2.854,1229 2.925,1230 2.625,1231 2.618,1232 3.605,1233 2.57,1234 0.173,1235 0.131,1236 0.263,1237 0.16,1238 0.123,1239 4.66,1240 0.171,1241 3.539,1243 7.111,1244 0.432,1245 4.317,1246 0.123,1247 3.32,1248 4.617,1250 11.661,1251 3.315,1252 1.966,1253 1.939,1254 2.091,1255 2.051,1256 1.289,1257 2.063,1258 1.834,1259 1.801,1260 1.936,1261 1.955,1262 0.977,1263 1.955,1264 1.635,1265 1.581,1266 1.843,1267 1.806,1268 0.966,1269 1.815,1270 1.364,1271 1.339,1272 1.417,1273 1.609,1274 0.562,1275 1.567,1276 1.263,1277 1.221,1278 1.417,1279 1.408,1280 0.469,1281 1.4,1282 0.961,1283 0.901,1284 1.378,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.821,1290 1.181,1291 1.239,1292 0.404,1293 1.308,1294 0.934,1295 0.804,1296 1.175,1297 1.148,1298 0.218,1299 1.151,1300 4.007,1302 5.371,1303 3.045,1304 6.917,1305 5.416,1306 8.541,1307 7.526,1308 10.207,1310 6.616,1322 0.13,1326 27.455,1327 63.504,1328 140.724,1329 162.724,1330 178.375,1331 178.375,1332 178.375,1333 28.879,1334 7.503,1335 55.97,1336 84.21,1337 22,1338 12.605,1339 4.459,1340 3.524,1341 33.978,1342 85,1343 80,1344 0.198,1345 172.615,1346 276.67,1347 412.94,1348 17646,1350 16.734,1351 0.697,1352 0.607,1353 17.087,1354 14.58,1355 11.521,1356 0.427,1357 0.318,1358 7.76,1359 10.774,1360 7.359,1361 6.2,1362 11.929,1363 8.585,1364 11.272,1365 0.282,1366 0.191,1367 11.915,1368 7.623,1369 9.125,1370 0.172,1371 0.091,1372 9.931,1373 4.805,1374 7.668,1375 0.11,1376 0.048,1377 8.562,1378 3.325,1379 5.926,1380 0.069,1381 0.025,1382 6.782,1383 2.157,1384 0.31,1385 75.516,1386 0.235,1387 23.388,1388 0.548,1389 134,1390 349.086,1391 171.366,1392 370.729,1393 527.44,1394 348,1395 160,1396 401.54,1397 196.819,1398 425.198,1399 624.83,1400 398,1401 6.06}
{0 CHEMBL1561767,1 1.752,2 14.107,3 4.147,4 17.193,5 110.597,6 9.012,7 0.533,8 3.926,9 4.007,10 3.727,11 3.586,12 5.118,13 3.527,14 4.421,15 4.539,16 4.086,17 3.935,18 5.649,19 3.848,20 4.585,21 4.722,22 4.109,23 3.944,24 5.867,25 3.862,26 4.577,27 4.764,28 3.963,29 3.86,30 5.762,31 3.744,32 4.498,33 4.666,34 3.905,35 3.712,36 5.843,37 3.61,38 4.312,39 4.464,40 3.807,41 3.593,42 5.768,43 3.517,44 4.257,45 4.412,46 3.709,47 3.595,48 5.521,49 3.492,50 4.293,51 4.461,52 3.743,53 3.591,54 5.562,55 3.455,56 0.073,57 0.617,58 7.223,59 4.468,60 9.798,61 4.755,62 0.355,63 1.041,64 19.87,65 8.25,66 34.331,67 8.555,68 0.535,69 1.165,70 23.554,71 9.141,72 63.535,73 8.811,74 0.388,75 1.145,76 24.632,77 9.769,78 57.426,79 10.573,80 0.599,81 1.085,82 32.506,83 9.767,84 88.963,85 8.346,86 0.57,87 0.851,88 16.572,89 6.641,90 74.134,91 6.772,92 0.338,93 0.828,94 17.482,95 6.858,96 48.546,97 6.476,98 0.443,99 0.863,100 22.871,101 8.012,102 58.889,103 7.597,104 17,105 40,106 0.298,107 0.631,108 0.771,109 0.859,110 0.87,111 0.87,112 3.373,113 1.047,114 -4.25,115 -4.18,116 -3.95,120 43.5,121 1,126 3,143 8,144 2,147 1,153 1,158 1,159 2,163 1,174 10,176 1,177 3,180 2,182 1,185 11,188 1,189 8,194 1,197 7,200 1,201 6,206 2,209 2,213 1,214 6,219 2,222 1,226 2,227 6,230 2,232 1,235 1,240 4,247 4,251 2,252 4,260 4,263 1,264 1,267 1,269 1,271 2,274 1300,275 18.723,276 18.723,277 18.723,278 18.723,279 18.723,280 16.409,281 14.987,282 11.319,283 19.242,284 14.831,285 14.831,286 14.831,287 14.831,288 14.831,289 11.22,290 15.126,291 5.454,292 15.658,293 3.772,294 1.811,295 0.989,296 0.468,297 0.408,298 0.408,299 4.055,306 1,307 1,308 844,309 4.183,312 72.441,313 207.161,316 138.938,320 2.179,321 35.401,324 1,325 1,326 0.83,327 0.6,328 0.5,329 1,330 1,331 0.85,332 61,333 395,334 4.487,335 4.368,336 6.271,337 3.938,338 3.019,339 4.433,340 3.662,341 9.582,342 2.832,343 4.143,344 3.727,345 6.019,346 3.806,347 2.79,348 3.671,349 2.412,350 8.544,351 2.789,352 3.793,353 3.594,354 5.367,355 3.445,356 2.485,357 3.169,358 1.747,359 7.003,360 2.372,361 3.655,362 3.358,363 5.042,364 3.3,365 2.345,366 2.864,367 1.463,368 6.106,369 2.211,370 3.547,371 3.022,372 4.962,373 3.15,374 2.167,375 2.799,376 0.272,377 5.85,378 2.115,379 3.265,380 2.464,381 4.692,382 2.814,383 1.809,384 2.52,385 0.125,386 5.024,387 1.818,388 3.158,389 2.221,390 4.396,391 2.679,392 1.756,393 2.39,395 4.262,396 1.58,397 3.003,398 2.19,399 4.274,400 2.442,401 1.515,402 2.23,404 4.16,405 1.388,406 2.601,407 2.005,408 3.513,409 2.162,410 1.21,411 1.595,413 2.72,414 1.148,415 2.5,416 1.713,417 3.319,418 2,419 1.003,420 1.5,422 2.225,423 1,424 2.216,425 1.521,426 3.247,427 1.852,428 1,429 1.147,431 2.136,432 0.813,433 1.947,434 1.323,435 3.159,436 1.389,437 0.473,438 0.689,440 1.186,441 0.426,442 1.694,443 1,444 2.871,445 1.299,446 0.355,447 0.426,449 0.782,450 0.323,451 1.124,452 0.572,453 2.541,454 0.758,455 -0.142,456 -0.164,458 -0.364,459 -0.123,460 1,461 0.485,462 2.359,463 0.577,464 -0.382,465 -0.484,467 -0.898,468 -0.346,469 13.8,470 0.493,471 0.664,472 0.024,473 36.25,474 1.295,475 19,476 0.679,477 17.25,478 0.616,479 22.839,480 0.816,481 29.4,482 0.639,483 25.315,484 0.904,485 6.86,486 0.245,487 6.648,488 0.237,489 0.109,491 0.29,496 0.665,497 1.05,498 0.698,499 0.854,500 0.544,501 0.843,502 0.656,503 1.118,504 1.073,505 1.147,506 0.579,507 0.981,508 1.158,509 1.14,510 1.044,511 1.11,512 1.227,513 1.079,514 0.914,515 1.1,516 0.914,517 1.035,518 0.984,519 1.029,520 1.583,521 1.062,522 1.418,523 1.168,524 1.341,525 0.964,526 1.054,527 0.892,528 0.838,529 0.852,530 1.044,531 0.941,532 1.463,533 0.932,534 1.151,535 0.962,536 1.47,537 0.966,538 1.171,539 0.972,540 1.313,541 1.206,542 1.423,543 1.043,544 6,545 0.123,546 2.667,547 1.917,548 0.924,549 0.917,550 0.361,551 0.313,552 0.165,553 0.18,554 11877,555 37367,556 2.034,557 39.1,558 3,559 14,562 1,567 1.701,568 1.909,569 3.771,570 -0.288,572 1,575 80.587,576 1.752,577 3.713,578 4.534,579 5.056,580 5.116,581 5.116,582 3.209,583 4.45,584 4.783,585 3.959,586 1496.49,587 8.263,588 21913.8,590 1,592 1,593 254.084,594 1.379,595 4.74,596 0.2,597 0.006,598 0.067,599 0.052,600 0.029,601 0.032,602 0.013,603 0.013,604 0.007,605 0.009,606 0.427,607 0.17,608 1,609 0.573,610 146.36,611 -0.043,612 -0.026,613 0.053,614 0.048,615 -0.043,616 0.03,617 0.157,618 -0.076,619 -0.028,620 -0.084,621 0.05,622 -0.037,623 -0.058,624 -0.129,625 -0.066,626 -0.128,627 -0.135,628 -0.159,629 0.018,630 -0.131,631 0.08,632 -0.054,633 -0.015,634 -0.028,635 -0.187,636 -0.003,637 -0.132,638 -0.02,639 -0.028,640 0.008,641 0.231,642 0.098,643 0.079,644 0.065,645 0.213,646 -0.029,647 -0.269,648 0.082,649 -0.095,650 0.062,651 -0.193,652 -0.021,653 -0.013,654 0.042,655 -0.044,656 -0.039,657 -0.104,658 -0.029,659 2.197,660 5.017,661 0.536,662 30.204,663 1.016,664 1.109,665 3.016,666 9.094,667 0.722,668 3.434,669 3.714,670 3.892,671 4.094,672 4.234,673 4.22,674 4.248,675 4.234,676 4.094,677 4.06,678 8.296,679 0.685,680 414.54,681 3.434,682 4.949,683 5.759,684 6.605,685 7.433,686 8.284,687 9.121,688 9.975,689 10.818,690 11.675,691 4.3,698 1,701 1,708 2,709 8,710 1,713 1,714 3,716 16,721 1,738 46,739 19,740 2,741 30,743 48,744 20,745 13,746 4,747 8,748 1,752 3,753 4,759 1,768 16,769 4,772 3,778 3,782 3,786 1,789 18,790 6,791 1,792 8,793 2,797 2,803 0.667,804 4,822 1,823 2,826 1,838 1,841 1,855 2,856 1,857 2,859 1,862 28,869 3,871 1,872 1,873 1,879 1,886 8.7,889 3,891 1,893 14.667,894 8.617,895 6.222,896 2.531,898 2.72,899 1.385,900 0.969,901 7.18,902 9.779,903 3.738,904 4.301,905 4.805,906 5.362,907 5.829,908 6.021,909 6.338,910 6.549,911 6.275,912 6.301,913 1,914 37,915 10.391,917 4.383,918 7.982,919 19.366,921 15.385,924 2.482,925 69.5,928 1,929 200.109,930 181.315,931 34.796,933 86.435,935 63.497,936 117.818,937 286.543,938 34.796,939 8.825,940 24.403,941 75.81,942 109.25,943 20.016,944 0.746,945 263.606,947 200.109,948 152.615,949 86.435,950 63.497,952 200.109,953 86.435,956 35.873,957 99.956,958 16.786,959 63.497,960 200.109,961 121.231,962 181.315,965 200.109,966 96.68,967 84.635,968 18.011,969 103.22,970 200.109,971 121.231,972 181.315,973 0.573,974 0.316,975 0.163,976 0.088,977 17,978 8,979 0.188,980 9,981 1,982 1.133,983 4.189,984 216.772,985 0.133,986 15,987 130.606,989 2,993 20.499,994 9.808,995 6.139,996 1.847,997 121.231,998 14.531,999 4.363,1002 1.407,1003 2.157,1005 18.011,1006 502.655,1007 41,1013 35.623,1017 -1.033,1020 46.734,1021 50.996,1022 0.317,1023 0.672,1024 0.821,1025 0.915,1026 0.926,1027 0.926,1028 4.942,1029 1.515,1030 5.72,1031 4.262,1032 4.394,1033 4.987,1034 3.849,1035 6.447,1036 4.297,1037 6.136,1038 1.21,1039 7.228,1040 4.16,1041 3.892,1042 4.771,1043 2.591,1044 7.154,1045 3.816,1046 7.424,1047 1.003,1048 8.829,1049 2.72,1050 5.911,1051 7.154,1052 6.03,1053 10.205,1054 5.733,1055 8.746,1056 1,1057 10.485,1058 2.225,1059 6.196,1060 7.761,1061 4.886,1062 11.748,1063 6.027,1064 10.097,1065 0.473,1066 12.177,1067 2.136,1068 7.685,1069 9.637,1070 8.488,1071 14.295,1072 7.435,1073 11.47,1074 0.355,1075 13.894,1076 1.186,1077 8.356,1078 10.665,1079 7.35,1080 16.215,1081 8.092,1082 12.861,1083 -0.142,1084 15.631,1085 0.782,1086 9.613,1087 12.323,1088 11.027,1089 18.572,1090 9.289,1091 3.019,1092 -0.382,1093 17.382,1094 -0.364,1095 10.485,1096 13.576,1097 9.974,1098 20.667,1099 10.128,1100 2.79,1101 9.582,1102 19.146,1103 -0.898,1104 11.637,1105 15.134,1106 13.592,1107 22.949,1108 11.231,1109 2.485,1110 8.544,1111 20.92,1112 4.433,1113 12.612,1114 16.503,1115 12.67,1116 25.124,1117 12.162,1118 2.345,1119 7.003,1120 22.702,1121 3.671,1122 13.72,1123 18.016,1124 16.165,1125 27.38,1126 13.223,1127 2.167,1128 6.106,1129 24.491,1130 3.169,1131 14.748,1132 19.444,1133 15.384,1134 29.592,1135 14.202,1136 1.809,1137 5.85,1138 26.285,1139 2.864,1140 15.839,1141 20.939,1142 18.742,1143 31.839,1144 15.245,1145 1.756,1146 5.024,1147 28.085,1148 2.799,1149 16.895,1150 22.396,1151 18.093,1152 34.069,1153 16.249,1154 11391,1155 20385,1156 19.879,1157 33.216,1158 44.483,1159 49.118,1160 44.928,1161 43.766,1162 43.851,1163 58.865,1164 19.362,1165 119.158,1166 41.63,1167 5.446,1168 6.368,1169 6.072,1170 5.086,1171 5.019,1172 7.433,1173 7.255,1174 15.955,1175 4.832,1176 13.995,1177 1.483,1178 1.637,1179 1.498,1180 1.459,1181 1.462,1182 1.962,1183 0.645,1184 3.972,1185 1.388,1186 4.063,1187 4.079,1188 4.321,1189 4.052,1190 7.437,1191 4.008,1192 3.925,1193 3.947,1194 3.919,1195 3.858,1196 7.427,1197 3.854,1198 3.661,1199 3.677,1200 3.849,1201 3.562,1202 7.423,1203 3.509,1204 3.545,1205 3.567,1206 3.555,1207 3.394,1208 4.967,1209 3.368,1210 3.385,1211 3.42,1212 3.428,1213 3.256,1214 4.728,1215 3.25,1216 3.277,1217 3.303,1218 3.242,1219 3.078,1220 4.374,1221 3.099,1222 2.99,1223 3.051,1224 2.978,1225 2.904,1226 4.356,1227 2.857,1228 2.854,1229 2.925,1230 2.96,1231 2.735,1232 3.871,1233 2.715,1234 0.15,1235 0.146,1236 0.209,1237 0.131,1238 0.101,1239 4.487,1240 0.148,1241 4.368,1242 0.122,1243 6.271,1244 0.319,1245 3.938,1246 0.094,1247 3.019,1248 4.433,1249 3.662,1250 9.582,1251 2.832,1252 1.925,1253 1.907,1254 2.025,1255 1.998,1256 1.163,1257 2.006,1258 1.908,1259 1.885,1260 2.012,1261 1.989,1262 1.096,1263 2.005,1264 1.575,1265 1.559,1266 1.659,1267 1.772,1268 0.959,1269 1.769,1270 1.431,1271 1.411,1272 1.585,1273 1.695,1274 0.721,1275 1.66,1276 1.287,1277 1.261,1278 1.522,1279 1.473,1280 0.624,1281 1.491,1282 1.22,1283 1.159,1284 1.427,1285 1.424,1286 0.612,1287 1.449,1288 1.113,1289 1.102,1290 1.181,1291 1.237,1292 0.424,1293 1.284,1294 0.886,1295 0.821,1296 1.173,1297 1.062,1298 0.218,1299 1.107,1300 4.111,1302 5.398,1303 2.398,1304 6.855,1305 4.727,1306 8.39,1307 6.823,1308 9.969,1310 2.001,1315 -0.216,1317 2.738,1318 4.958,1319 1.124,1326 31.491,1327 80.587,1328 170.8,1329 208.574,1330 232.574,1331 235.329,1332 235.329,1333 62.764,1334 7.06,1335 85.36,1336 138.9,1337 17,1338 12.231,1339 4.322,1340 3.585,1341 50.271,1342 143,1343 118,1344 0.166,1345 202.999,1346 352.56,1347 487.076,1348 12375,1350 19.933,1351 0.712,1352 0.599,1353 20.64,1354 16.77,1355 13.508,1356 0.45,1357 0.349,1358 8.563,1359 12.148,1360 8.133,1361 6.747,1362 14.416,1363 10.469,1364 12.105,1365 0.303,1366 0.2,1367 13.24,1368 7.997,1369 9.373,1370 0.195,1371 0.115,1372 10.805,1373 5.543,1374 7.438,1375 0.126,1376 0.067,1377 8.929,1378 3.953,1379 5.667,1380 0.083,1381 0.037,1382 6.832,1383 2.527,1384 0.277,1385 93.588,1386 0.224,1387 27.859,1388 0.417,1389 140,1390 488.641,1391 200.026,1392 504.539,1393 663.07,1394 470,1395 158,1396 430.548,1397 211.382,1398 459.709,1399 667.24,1400 429,1401 5.978}
{0 CHEMBL1561858,1 1.358,2 12.813,3 5.551,4 30.815,5 125.441,6 7.84,7 0.806,8 4.064,9 4.169,10 3.692,11 3.739,12 5.216,13 3.707,14 4.535,15 4.669,16 4.025,17 4.112,18 5.666,19 4.061,20 4.797,21 4.986,22 4.091,23 4.229,24 5.863,25 4.156,26 4.804,27 4.996,28 4.018,29 4.175,30 5.899,31 4.097,32 4.8,33 5.004,34 4.021,35 4.152,36 5.941,37 4.072,38 4.762,39 4.965,40 3.946,41 4.113,42 5.858,43 4.029,44 4.709,45 4.906,46 3.897,47 4.068,48 5.818,49 3.987,50 4.669,51 4.879,52 3.839,53 4.043,54 5.7,55 3.949,56 0.029,57 0.668,58 9.043,59 4.391,60 6.702,61 5.617,62 0.116,63 1.096,64 15.672,65 7.174,66 15.54,67 9.308,68 0.173,69 1.454,70 23.5,71 9.971,72 28.592,73 13.105,74 0.195,75 1.458,76 24.23,77 9.904,78 35.668,79 12.665,80 0.296,81 1.45,82 24.913,83 10.22,84 46.101,85 13.474,86 0.176,87 1.356,88 24.116,89 10.128,90 38.636,91 13.133,92 0.208,93 1.306,94 22.652,95 9.215,96 43.045,97 11.687,98 0.193,99 1.28,100 21.847,101 9.066,102 34.092,103 11.965,104 2,105 49,106 0.22,107 0.449,108 0.608,109 0.796,110 0.872,111 0.872,112 3.502,113 0.876,114 -5.12,115 -5.01,116 -4.69,120 52.8,126 1,143 17,144 5,146 1,147 3,159 1,174 21,177 7,180 1,182 1,185 24,189 8,192 1,194 3,197 22,201 4,206 2,209 19,213 2,214 6,217 1,219 4,222 19,227 7,232 3,235 18,240 6,245 2,247 16,251 1,252 7,257 1,260 16,264 6,269 1,271 17,274 1864,275 22.344,276 22.344,277 22.344,278 22.344,279 22.344,280 18.893,281 7.745,282 13.511,283 22.494,284 17.824,285 17.824,286 17.824,287 17.824,288 17.824,289 12.709,290 9.649,291 6.465,292 18.054,293 4.37,294 2.954,295 1.972,296 0.812,297 0.34,298 0.34,299 4.217,306 1,307 1,308 910,309 3,313 471.294,317 146.512,320 2.051,321 20.397,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 66.5,333 410,334 4.604,335 3.601,336 6.704,337 4.165,338 3.174,339 4.526,340 1.081,341 10.885,342 3.144,343 4.262,344 3,345 6.177,346 3.883,347 2.883,348 3.92,349 0.473,350 9.155,351 2.881,352 4,353 2.851,354 6.047,355 3.638,356 2.647,357 3.531,359 8.729,360 2.621,361 3.914,362 2.718,363 5.669,364 3.51,365 2.54,366 3.45,368 7.445,369 2.462,370 3.785,371 2.601,372 5.335,373 3.356,374 2.364,375 3.216,377 6.921,378 2.334,379 3.404,380 1.921,381 4.639,382 2.911,383 1.916,384 2.837,386 4.946,387 1.906,388 3.06,389 1.843,390 4.505,391 2.598,392 1.618,393 2.316,395 4.359,396 1.583,397 3.036,398 1.645,399 4.293,400 2.551,401 1.566,402 2.218,404 3.985,405 1.539,406 2.892,407 1.567,408 3.697,409 2.424,410 1.424,411 2.043,413 3.115,414 1.419,415 2.833,416 1.345,417 3.613,418 2.34,419 1.345,420 1.993,422 2.967,423 1.338,424 2.57,425 1.094,426 3.529,427 2.076,428 1.078,429 1.601,431 2.642,432 1.075,433 2.5,434 1.058,435 3.473,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.414,445 2,446 1,447 1.5,449 2.136,450 1,451 2.5,452 1,453 3.247,454 1.959,455 1,456 1.5,458 2.136,459 0.956,460 2.263,461 1,462 3.247,463 1.801,464 0.827,465 1.148,467 2.107,468 0.804,469 15.533,470 0.485,471 0.568,472 0.018,473 49.25,474 1.539,475 29.5,476 0.922,477 19.75,478 0.617,479 20.949,480 0.655,481 30.667,482 0.579,483 37.599,484 1.175,485 9.995,486 0.312,487 5.781,488 0.181,489 0.021,491 0.29,496 0.681,497 1.006,498 0.728,499 0.859,500 0.606,501 0.806,502 0.719,503 1.103,504 0.906,505 1.004,506 0.652,507 0.974,508 0.983,509 1.016,510 0.946,511 0.972,512 0.917,513 0.956,514 1.44,515 1.107,516 1.099,517 1.051,518 1.453,519 1.043,520 1.057,521 0.951,522 0.947,523 0.969,524 1.154,525 0.953,526 1.336,527 1.003,528 0.98,529 0.997,530 1.45,531 0.969,532 1.599,533 1.008,534 1.082,535 0.967,536 1.704,537 0.98,538 1.08,539 0.969,540 1.016,541 0.953,542 1.095,543 0.975,544 4.5,545 0.103,546 3.333,547 1.375,548 1.431,549 1.222,550 0.646,551 0.314,552 0.316,553 0.255,554 15444,555 37517,556 2.194,557 39.6,559 19,561 1,562 1,567 1.746,568 2.133,569 3.616,570 -0.465,575 71.98,576 1.358,577 2.774,578 3.756,579 4.916,580 5.388,581 5.388,582 3.066,583 4.375,584 4.966,585 3.792,586 1880.88,587 8.7,588 27594.9,593 303.58,594 1.043,595 4.964,596 0.125,597 0.003,598 0.068,599 0.027,600 0.031,601 0.027,602 0.015,603 0.008,604 0.008,605 0.007,606 0.318,607 0.33,608 0.88,609 0.313,610 168.506,611 -0.015,612 -0.024,613 0.046,614 0.024,615 -0.061,616 0.038,617 0.08,618 -0.102,619 -0.075,620 -0.105,621 0.001,622 -0.105,623 -0.002,624 -0.01,625 -0.005,626 -0.024,627 -0.014,628 -0.016,629 -0.144,630 -0.093,631 -0.126,632 -0.102,633 -0.137,634 -0.11,635 0.213,636 0.051,637 0.049,638 0.001,639 0.161,640 0.009,641 -0.056,642 -0.041,643 0.02,644 -0.009,645 0.009,646 0.009,647 -0.185,648 -0.012,649 -0.088,650 -0.001,651 -0.145,652 -0.031,653 -0.055,654 0.031,655 -0.033,656 0.02,657 -0.099,658 -0.003,659 1.809,660 6.088,661 0.875,662 37.906,663 0.992,664 1.103,665 3.888,666 15.116,667 0.723,668 3.611,669 3.912,670 4.205,671 4.466,672 4.745,673 4.796,674 4.984,675 5.112,676 5.273,677 5.384,678 7.404,679 0.689,680 415.52,681 3.611,682 5.142,683 5.994,684 6.862,685 7.731,686 8.606,687 9.483,688 10.364,689 11.246,690 12.131,691 5.7,698 1,701 2,708 2,709 18,710 2,714 6,716 29,723 1,738 53,739 30,740 3,741 36,743 57,744 28,745 26,746 5,747 13,748 1,752 5,753 6,768 27,769 1,772 1,778 1,782 1,789 21,790 4,791 1,792 4,797 3,803 0.8,804 1,816 2,823 5,827 1,855 4,862 32,869 1,871 1,886 1.9,889 1,893 15,894 9.567,895 7.056,896 3.133,898 5.162,899 1.633,900 1.046,901 5.53,902 13.313,903 3.961,904 4.585,905 5.224,906 5.841,907 6.467,908 6.748,909 7.27,910 7.716,911 8.195,912 8.57,913 0.889,914 51,915 11.803,917 5.04,918 7.625,919 22.681,921 18.706,924 2.125,925 68,929 235.422,930 199.927,931 51.582,933 25.145,936 199.927,937 260.567,938 51.582,940 20.116,941 161.096,942 75.192,943 32.02,945 223.651,947 235.422,948 251.509,949 25.145,952 235.422,953 25.145,956 36.822,957 181.116,958 33.571,960 235.422,961 76.727,962 199.927,965 235.422,966 29.783,967 170.144,968 18.011,969 58.716,970 235.422,971 76.727,972 199.927,973 0.572,974 0.337,975 0.186,976 0.105,977 24,978 9,979 0.088,980 5,981 1,982 1.071,983 4.445,984 297.486,985 0.071,986 28,987 152,993 19.811,994 8.932,995 4.348,996 1.621,997 76.727,998 35.512,999 9.095,1003 5.466,1005 18.011,1006 512.076,1007 51.5,1013 13.088,1017 -0.142,1020 52.585,1021 58.441,1022 0.237,1023 0.484,1024 0.656,1025 0.858,1026 0.941,1027 0.941,1028 5.16,1029 1.566,1030 5.948,1031 4.359,1032 4.595,1033 5.273,1034 1.331,1035 6.735,1036 4.571,1037 6.365,1038 1.424,1039 7.484,1040 3.985,1041 4.007,1042 4.902,1044 7.582,1045 3.983,1046 7.659,1047 1.345,1048 9.124,1049 3.115,1050 6.155,1051 7.502,1052 1.343,1053 10.703,1054 6.108,1055 8.993,1056 1.078,1057 10.83,1058 2.967,1059 6.447,1060 8.014,1062 12.425,1063 6.402,1064 10.361,1065 1,1066 12.578,1067 2.642,1068 8.003,1069 10.018,1070 1.438,1071 15.037,1072 7.94,1073 11.754,1074 1,1075 14.356,1076 2.275,1077 8.717,1078 10.983,1080 17.114,1081 8.654,1082 13.167,1083 1,1084 16.155,1085 2.136,1086 10.017,1087 12.71,1088 1.555,1089 19.555,1090 9.94,1091 3.174,1092 0.827,1093 17.969,1094 2.136,1095 10.94,1096 13.923,1098 21.788,1099 10.86,1100 2.883,1101 10.885,1102 19.794,1103 2.107,1104 12.13,1105 15.518,1106 1.679,1107 24.173,1108 12.039,1109 2.647,1110 9.155,1111 21.628,1112 4.526,1113 13.157,1114 16.865,1116 26.478,1117 13.061,1118 2.54,1119 8.729,1120 23.47,1121 3.92,1122 14.304,1123 18.4,1124 1.807,1125 28.848,1126 14.199,1127 2.364,1128 7.445,1129 25.317,1130 3.531,1131 15.383,1132 19.82,1134 31.189,1135 15.271,1136 1.916,1137 6.921,1138 27.17,1139 3.45,1140 16.515,1141 21.331,1142 1.939,1143 33.558,1144 16.395,1145 1.618,1146 4.946,1147 29.028,1148 3.216,1149 17.622,1150 22.789,1152 35.917,1153 17.494,1154 14206,1155 22291,1156 25.137,1157 38.324,1158 53.974,1159 54.772,1160 53.966,1161 53.572,1162 53.578,1163 75.635,1164 3.107,1165 149.466,1166 52.921,1167 5.476,1168 5.601,1169 6.506,1170 5.207,1171 5.174,1172 7.526,1173 2.162,1174 18.039,1175 5.144,1176 7.13,1177 1.499,1178 1.521,1179 1.499,1180 1.488,1181 1.488,1182 2.101,1183 0.086,1184 4.152,1185 1.47,1186 4.116,1187 4.14,1188 4.083,1189 4.055,1190 7.429,1191 4.058,1192 3.962,1193 3.986,1194 3.909,1195 3.918,1196 4.993,1197 3.913,1198 3.877,1199 3.922,1200 3.811,1201 3.766,1202 4.886,1203 3.771,1204 3.743,1205 3.774,1206 3.669,1207 3.69,1208 4.809,1209 3.681,1210 3.528,1211 3.568,1212 3.462,1213 3.395,1214 4.601,1215 3.401,1216 3.315,1217 3.374,1218 3.229,1219 3.146,1220 4.303,1221 3.16,1222 3.06,1223 3.103,1224 2.959,1225 2.946,1226 4.069,1227 2.943,1228 2.892,1229 2.942,1230 2.795,1231 2.794,1232 3.857,1233 2.788,1234 0.128,1235 0.1,1236 0.186,1237 0.116,1238 0.088,1239 4.604,1240 0.126,1241 3.601,1242 0.03,1243 6.704,1244 0.302,1245 4.165,1246 0.087,1247 3.174,1248 4.526,1249 1.081,1250 10.885,1251 3.144,1252 2.07,1253 2.05,1254 2.137,1255 2.146,1256 1.263,1257 2.144,1258 1.967,1259 1.945,1260 2.065,1261 2.031,1262 1.171,1263 2.044,1264 1.843,1265 1.803,1266 1.969,1267 1.98,1268 1.043,1269 1.98,1270 1.757,1271 1.728,1272 1.889,1273 1.835,1274 0.96,1275 1.855,1276 1.482,1277 1.449,1278 1.63,1279 1.667,1280 0.704,1281 1.654,1282 1.281,1283 1.22,1284 1.497,1285 1.467,1286 0.623,1287 1.48,1288 1.04,1289 1.002,1290 1.211,1291 1.201,1292 0.31,1293 1.203,1294 0.901,1295 0.852,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.29,1302 5.595,1304 7.111,1306 8.718,1308 10.372,1315 0.372,1317 2.987,1326 36.52,1327 71.98,1328 147.034,1329 199.073,1330 260.56,1331 285.58,1332 285.58,1333 44.699,1334 8.151,1335 54.88,1336 54.88,1337 30,1338 12.664,1339 4.954,1340 4.044,1341 45.644,1342 140,1343 148,1344 0.156,1345 222.857,1346 378.85,1347 535.532,1348 43563,1350 21.753,1351 0.68,1352 0.544,1353 21.753,1354 17.402,1355 15.776,1356 0.438,1357 0.292,1358 10.451,1359 15.51,1360 10.216,1361 8.49,1362 15.776,1363 10.516,1364 13.735,1365 0.28,1366 0.153,1367 13.735,1368 7.519,1369 11.984,1370 0.182,1371 0.082,1372 11.984,1373 5.405,1374 10.023,1375 0.117,1376 0.044,1377 10.023,1378 3.744,1379 8.598,1380 0.075,1381 0.023,1382 8.598,1383 2.626,1384 0.246,1385 96.55,1386 0.199,1387 30.092,1388 0.424,1389 170,1390 433.359,1391 177.71,1392 437.092,1393 614.16,1394 412,1395 200,1396 461.608,1397 207.85,1398 475.826,1399 694.08,1400 451,1401 6.336}
{0 CHEMBL1562304,1 1.712,2 7.125,3 3.386,4 11.462,5 92.474,6 9.506,7 0.444,8 3.769,9 3.858,10 3.548,11 3.417,12 4.902,13 3.396,14 4.335,15 4.465,16 3.99,17 3.856,18 5.467,19 3.824,20 4.606,21 4.756,22 4.185,23 4.034,24 5.79,25 4.004,26 4.712,27 4.853,28 4.2,29 4.115,30 5.932,31 4.08,32 4.822,33 4.985,34 4.204,35 4.18,36 6.039,37 4.106,38 4.82,39 5.018,40 4.111,41 4.07,42 6.095,43 3.937,44 4.552,45 4.788,46 3.893,47 3.707,48 5.766,49 3.522,50 3.876,51 4.113,52 3.332,53 3.008,54 5.192,55 2.76,56 0.061,57 0.509,58 4.399,59 3.088,60 7.68,61 3.62,62 0.291,63 0.911,64 12.698,65 5.556,66 17.905,67 6.522,68 0.431,69 1.145,70 19.6,71 7.71,72 54.534,73 8.739,74 0.48,75 1.273,76 18.793,77 8.375,78 54.301,79 9.133,80 0.516,81 1.359,82 23.707,83 10.103,84 59.017,85 11.271,86 0.625,87 1.241,88 30.365,89 11.723,90 91.847,91 14.149,92 0.595,93 0.86,94 32.794,95 10.075,96 88.728,97 11.981,98 0.478,99 0.356,100 28.397,101 5.774,102 61.673,103 6.759,104 19,105 41,106 0.305,107 0.6,108 0.725,109 0.828,110 0.869,111 0.869,112 3.232,113 0.951,114 -5.29,115 -5.17,116 -4.84,120 47.4,126 3,132 1,143 8,144 3,145 1,159 2,174 10,176 3,177 6,185 13,189 12,197 11,200 2,201 13,209 9,214 9,222 11,226 1,227 8,235 11,240 2,247 8,252 2,260 3,271 2,274 826,275 16.349,276 16.349,277 16.349,278 16.349,279 16.349,280 14.701,281 18.599,282 9.261,283 16.696,284 13.189,285 13.189,286 13.189,287 13.189,288 13.189,289 10.632,290 21.108,291 4.186,292 13.839,293 3.536,294 1.882,295 1.178,296 0.599,297 0.368,298 0.368,299 3.923,300 1,303 1,305 1,306 1,307 1,308 370,309 3.24,312 76.491,313 103.162,315 61.234,316 71.933,319 95.881,320 0.906,321 30.224,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51.667,333 171,334 5.008,335 4.394,336 8.546,337 4.857,338 3.901,339 4.364,340 2.128,341 17.633,342 3.73,343 4.11,344 3.679,345 6.492,346 3.776,347 2.784,348 3.653,349 1.691,350 9.753,351 2.754,352 3.886,353 3.391,354 5.967,355 3.493,356 2.535,357 3.257,358 1.088,359 7.797,360 2.422,361 3.578,362 2.909,363 5.915,364 3.191,365 2.255,366 2.814,367 0.554,368 7.407,369 2.13,370 3.512,371 2.498,372 5.323,373 3.169,374 2.197,375 2.758,376 0.155,377 6.286,378 2.056,379 3.064,380 2.178,381 4.931,382 2.66,383 1.703,384 2.225,385 0.071,386 5.083,387 1.564,388 2.826,389 1.918,390 4.37,391 2.414,392 1.424,393 1.944,395 3.204,396 1.402,397 2.542,398 1.714,399 3.87,400 2.16,401 1.21,402 1.514,404 3.099,405 1.131,406 2.5,407 1.597,408 3.765,409 2,410 1,411 1.5,413 2.431,414 1,415 2.164,416 1.319,417 3.513,418 1.915,419 0.945,420 1.119,422 2.275,423 0.906,424 2.033,425 1.073,426 3.414,427 1.688,428 0.71,429 0.863,431 1.723,432 0.664,433 1.464,434 1,435 3.056,436 0.914,437 0.168,438 0.197,440 0.236,441 0.097,442 1.106,443 0.441,444 2.901,445 0.679,446 -0.186,447 -0.226,449 -0.409,450 -0.128,451 0.941,452 0.225,453 2.574,454 0.521,455 -0.514,456 -0.688,458 -1.24,459 -0.522,460 0.618,461 -0.123,462 2.447,463 0.204,464 -0.768,465 -0.955,467 -1.953,468 -0.701,469 11.895,470 0.496,471 0.657,472 0.027,473 31,474 1.292,475 15,476 0.625,477 16,478 0.667,479 20.13,480 0.839,481 24.705,482 0.65,483 23.842,484 0.993,485 6.096,486 0.254,487 5.505,488 0.229,489 0.176,490 0.042,491 0.319,496 0.569,497 1.277,498 0.495,499 0.842,500 0.497,501 0.797,502 0.676,503 1.068,504 0.736,505 0.838,506 0.573,507 0.835,508 0.857,509 1.077,510 0.698,511 0.886,512 0.829,513 0.837,514 1.062,515 1.122,516 0.744,517 0.935,518 1.169,519 0.969,520 1.083,521 1.027,522 0.841,523 1.015,524 1.138,525 1.086,526 0.88,527 1.042,528 0.898,529 1.112,530 1.028,531 1.168,532 1.205,533 0.822,534 1.183,535 0.921,536 1.317,537 0.964,538 1.387,539 0.583,540 2.493,541 1.37,542 0.961,543 1.131,544 5,546 4.222,547 3.167,548 2.267,549 1.272,550 0.612,551 0.457,552 0.103,553 0.016,554 4972,555 17775,556 2.099,557 36.8,559 14,567 1.684,568 1.933,569 2.771,570 -0.74,571 1,572 1,575 65.06,576 1.712,577 3.366,578 4.07,579 4.649,580 4.88,581 4.88,582 2.174,583 4.085,584 4.553,585 2.899,586 800.144,587 7.939,588 8803.88,589 1,590 1,591 1,592 1,593 199.421,594 1.666,595 4.495,596 0.185,598 0.103,599 0.066,600 0.045,601 0.028,602 0.018,603 0.023,604 0.013,605 0.008,606 0.489,607 0.5,608 1,609 1.004,610 108.094,611 -0.022,612 -0.194,613 0.014,614 -0.047,615 -0.026,616 -0.005,617 0.045,618 0.059,619 -0.059,620 -0.007,621 -0.01,622 -0.008,623 -0.006,624 -0.003,625 0.011,626 -0.014,627 0.006,628 0.041,629 -0.111,630 -0.049,631 -0.116,632 -0.083,633 -0.115,634 -0.122,635 -0.153,636 -0.017,637 -0.115,638 -0.107,639 -0.103,640 -0.168,641 0.08,642 -0.15,643 0.035,644 -0.096,645 0.063,646 -0.118,647 -0.019,648 -0.003,649 0.178,650 0.232,651 -0.065,652 0.207,653 0.088,654 0.144,655 -0.146,656 -0.016,657 0.147,658 0.151,659 2.19,660 5.909,661 0.75,662 16.451,663 1.018,664 1.111,665 4.057,666 16.458,667 0.736,668 3.332,669 3.738,670 4.174,671 4.585,672 4.89,673 5.056,674 5.204,675 5.263,676 5.204,677 5.075,678 4.444,679 0.706,680 361.24,681 3.332,682 4.92,683 5.849,684 6.808,685 7.773,686 8.748,687 9.726,688 10.709,689 11.691,690 12.677,691 5.3,698 2,709 8,714 4,716 12,724 1,737 1,738 38,739 14,740 2,741 27,743 41,744 18,745 12,746 4,747 8,748 1,750 1,752 4,753 7,754 2,759 1,763 1,766 1,768 14,769 4,772 2,778 2,782 2,785 1,786 1,789 14,790 4,792 6,793 2,797 2,803 0.5,804 2,822 2,823 2,825 1,826 1,829 1,839 1,855 2,860 2,862 24,869 3,875 2,876 1,885 2,886 5.3,889 2,893 12.417,894 6.936,895 5.278,896 2.271,898 2.173,899 1.291,900 0.996,901 3.735,902 9.638,903 3.584,904 4.174,905 4.787,906 5.381,907 5.947,908 6.221,909 6.61,910 6.936,911 7.142,912 7.248,913 0.8,914 48,915 8.943,917 4.055,918 7.916,919 16.805,921 14.556,924 2.416,925 57.972,929 164.795,930 105.338,931 6.249,932 78.297,933 50.29,936 105.338,937 293.383,938 6.249,940 13.31,941 75.81,942 59.699,943 13.057,945 203.944,946 39.149,947 164.795,948 111.586,949 50.29,950 78.297,952 164.795,953 50.29,956 13.31,957 98.277,958 78.297,960 164.795,961 56.538,962 183.635,965 164.795,966 29.528,967 82.059,969 128.587,970 164.795,971 56.538,972 183.635,973 0.591,974 0.382,975 0.23,976 0.138,977 23,978 10,979 0.024,980 1,981 2,982 1.222,983 3.316,984 225.127,985 0.222,986 18,987 106.039,993 15.793,994 5.675,995 2.046,997 56.538,998 14.707,1003 2.876,1006 404.969,1007 35,1013 25.458,1017 -0.26,1020 38.691,1021 42.21,1022 0.326,1023 0.641,1024 0.776,1025 0.886,1026 0.93,1027 0.93,1028 4.875,1029 1.21,1030 5.9,1031 3.204,1032 4.419,1033 4.86,1034 2.779,1035 6.925,1036 4.334,1037 6.106,1038 1,1039 7.596,1040 3.099,1041 4.29,1042 4.745,1043 2.22,1044 8.534,1045 4.153,1046 7.462,1047 0.945,1048 9.424,1049 2.431,1050 6.229,1051 7.025,1052 3.734,1053 11.81,1054 6.068,1055 8.864,1056 0.71,1057 11.34,1058 2.275,1059 7.013,1060 7.729,1061 3.79,1062 14.35,1063 6.796,1064 10.311,1065 0.168,1066 13.318,1067 1.723,1068 8.5,1069 9.521,1070 4.966,1071 17.3,1072 8.254,1073 11.79,1074 -0.186,1075 15.342,1076 0.236,1077 9.655,1078 10.6,1079 5.304,1080 20.092,1081 9.354,1082 13.296,1083 -0.514,1084 17.399,1085 -0.409,1086 11.029,1087 12.205,1088 6.317,1089 22.978,1090 10.69,1091 3.901,1092 -0.768,1093 19.48,1094 -1.24,1095 12.318,1096 13.471,1097 6.811,1098 25.83,1099 11.928,1100 2.784,1101 17.633,1102 21.578,1103 -1.953,1104 13.672,1105 14.995,1106 7.729,1107 28.703,1108 13.238,1109 2.535,1110 9.753,1111 23.69,1112 4.364,1113 15.007,1114 16.357,1115 8.319,1116 31.568,1117 14.525,1118 2.255,1119 7.797,1120 25.811,1121 3.653,1122 16.361,1123 17.848,1124 9.176,1125 34.439,1126 15.834,1127 2.197,1128 7.407,1129 27.938,1130 3.257,1131 17.712,1132 19.26,1133 9.827,1134 37.307,1135 17.138,1136 1.703,1137 6.286,1138 30.071,1139 2.814,1140 19.069,1141 20.736,1142 10.646,1143 40.177,1144 18.449,1145 1.424,1146 5.083,1147 32.207,1148 2.758,1149 20.426,1150 22.175,1151 11.336,1152 43.047,1153 19.76,1154 4887,1155 9285,1156 17.8,1157 27.966,1158 42.26,1159 44.353,1160 45.436,1161 41.783,1162 41.665,1163 52.416,1164 11.372,1165 133.853,1166 39.713,1167 5.974,1168 6.394,1169 8.223,1170 5.913,1171 5.901,1172 7.364,1173 3.798,1174 26.296,1175 5.73,1176 11.877,1177 1.565,1178 1.643,1179 1.683,1180 1.548,1181 1.543,1182 1.941,1183 0.421,1184 4.958,1185 1.471,1186 4.109,1187 4.138,1188 4.102,1189 4.019,1190 7.43,1191 4.027,1192 3.828,1193 3.85,1194 3.919,1195 3.78,1196 7.425,1197 3.771,1198 3.675,1199 3.72,1200 3.795,1201 3.509,1202 4.947,1203 3.521,1204 3.419,1205 3.452,1206 3.525,1207 3.238,1208 4.727,1209 3.241,1210 3.13,1211 3.164,1212 3.268,1213 2.959,1214 4.656,1215 2.958,1216 2.994,1217 3.026,1218 3.133,1219 2.909,1220 4.352,1221 2.902,1222 2.854,1223 2.925,1224 2.853,1225 2.735,1226 4.111,1227 2.715,1228 2.753,1229 2.805,1230 2.738,1231 2.657,1232 3.674,1233 2.636,1234 0.185,1235 0.163,1236 0.317,1237 0.18,1238 0.144,1239 5.008,1240 0.162,1241 4.394,1242 0.079,1243 8.546,1244 0.653,1245 4.857,1246 0.138,1247 3.901,1248 4.364,1249 2.128,1250 17.633,1251 3.73,1252 1.952,1253 1.933,1254 2.032,1255 2.022,1256 1.227,1257 2.028,1258 1.835,1259 1.813,1260 1.936,1261 1.916,1262 1.073,1263 1.926,1264 1.545,1265 1.495,1266 1.758,1267 1.769,1268 1.015,1269 1.768,1270 1.434,1271 1.389,1272 1.558,1273 1.662,1274 0.771,1275 1.641,1276 1.159,1277 1.115,1278 1.32,1279 1.364,1280 0.575,1281 1.371,1282 1.007,1283 0.986,1284 1.181,1285 1.163,1286 0.245,1287 1.158,1288 0.886,1289 0.821,1290 1.147,1291 1.062,1292 0.218,1293 1.107,1294 0.772,1295 0.713,1296 1.052,1297 0.969,1298 0.149,1299 1.007,1300 4.007,1302 5.389,1303 3.045,1304 7.002,1305 5.638,1306 8.73,1307 7.96,1308 10.528,1311 11.877,1315 0.798,1321 3.457,1322 -0.94,1326 26.815,1327 65.06,1328 127.911,1329 154.666,1330 176.666,1331 185.421,1332 185.421,1333 47.849,1334 7.465,1335 40.62,1336 40.62,1337 22,1338 13.145,1339 3.907,1340 3.17,1341 33.276,1342 58,1343 80,1344 0.276,1345 168.687,1346 297.6,1347 403.355,1348 14694,1349 5.3,1350 16.897,1351 0.704,1352 0.592,1353 17.897,1354 14.219,1355 11.601,1356 0.43,1357 0.317,1358 7.637,1359 10.674,1360 7.408,1361 6.014,1362 12.244,1363 8.556,1364 10.547,1365 0.257,1366 0.16,1367 11.159,1368 6.564,1369 9.899,1370 0.155,1371 0.082,1372 10.509,1373 5.249,1374 8.84,1375 0.091,1376 0.043,1377 9.149,1378 4.125,1379 7.726,1380 0.059,1381 0.023,1382 8.088,1383 3.079,1384 0.397,1385 78.858,1386 0.237,1387 22.115,1388 0.898,1389 136,1390 403.168,1391 173.781,1392 446.033,1393 589.86,1394 416,1395 173,1396 386.609,1397 203.712,1398 405.275,1399 614.76,1400 383,1401 4.824}
{0 CHEMBL1562555,1 1.456,2 11.923,3 1.919,4 3.684,5 105.958,6 6.162,7 0.179,8 4.149,9 4.313,10 3.552,11 3.56,12 5.067,13 3.514,14 4.775,15 5.01,16 3.917,17 4,18 5.615,19 3.914,20 5.111,21 5.387,22 3.883,23 4.19,24 5.858,25 4.047,26 5.241,27 5.566,28 3.869,29 4.149,30 5.997,31 3.987,32 5.019,33 5.31,34 3.739,35 3.931,36 5.939,37 3.826,38 4.866,39 5.154,40 3.641,41 3.86,42 5.745,43 3.758,44 4.8,45 5.055,46 3.523,47 3.969,48 5.53,49 3.796,50 5.012,51 5.34,52 3.369,53 3.961,54 5.608,55 3.717,56 0.131,57 0.878,58 15.216,59 5.132,60 12.032,61 8.02,62 0.383,63 1.366,64 28.21,65 8.472,66 28.657,67 13.862,68 0.456,69 1.613,70 38.868,71 10.789,72 34.842,73 18.261,74 0.568,75 1.548,76 43.689,77 10.914,78 47.163,79 19.26,80 0.586,81 1.283,82 36.437,83 7.117,84 55.422,85 13.829,86 0.617,87 1.172,88 31.277,89 6.906,90 49.612,91 12.431,92 0.281,93 1.23,94 28.001,95 9.609,96 24.705,97 14.839,98 0.344,99 1.196,100 33.603,101 10.677,102 31.492,103 17.132,104 18,105 39,106 0.242,107 0.454,108 0.653,109 0.728,110 0.755,111 0.761,112 3.303,113 1.07,114 -3.95,115 -3.9,116 -3.7,120 30.5,121 3,122 7,126 3,128 2,131 1,160 1,162 1,167 3,174 4,176 3,177 5,180 2,181 1,182 4,185 8,188 2,189 3,194 2,197 2,200 2,201 10,204 1,206 5,214 9,219 2,226 1,227 5,230 1,232 1,235 4,243 2,247 10,252 2,255 2,260 2,263 2,264 2,267 2,269 3,274 938,275 17.126,276 17.126,277 17.126,278 17.126,279 17.126,280 16.388,281 28.024,282 10.215,283 17.448,284 13.872,285 13.872,286 13.872,287 13.872,288 13.872,289 12.698,290 44.881,291 4.912,292 14.397,293 4.427,294 3.152,295 1.955,296 1.505,297 1.344,298 1.31,299 3.981,306 1,307 1,308 657,309 3.808,312 84.956,313 191.628,320 2.089,321 20.684,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 56.5,333 310,334 4.55,335 3.562,336 7.25,337 4.341,338 3.383,339 4.027,340 1.656,341 12.248,342 3.238,343 3.839,344 3.53,345 5.717,346 3.697,347 2.74,348 2.961,349 0.916,350 7.926,351 2.618,352 3.717,353 2.955,354 5.575,355 3.558,356 2.601,357 2.856,358 0.247,359 7.607,360 2.486,361 3.522,362 2.565,363 5.377,364 3.385,365 2.419,366 2.564,367 0.172,368 7.026,369 2.331,370 3.31,371 2.493,372 5.117,373 3.117,374 2.159,375 2.341,377 6.241,378 2.065,379 3.009,380 2.231,381 4.617,382 2.835,383 1.854,384 2.028,386 4.946,387 1.801,388 2.549,389 1.519,390 4.037,391 2.384,392 1.389,393 1.564,395 3.053,396 1.378,397 2.424,398 1.344,399 3.57,400 2.155,401 1.172,402 1.413,404 2.973,405 1.15,406 2.282,407 1.077,408 3.444,409 2,410 1,411 1.197,413 2.275,414 1,415 2,416 1,417 3.414,418 1.984,419 1,420 1,422 2.174,423 0.983,424 2,425 0.887,426 3.247,427 1.836,428 0.864,429 1,431 2.136,432 0.838,433 1.319,434 0.694,435 2.965,436 1.175,437 0.227,438 0.239,440 0.578,441 0.214,442 1,443 0.375,444 2.726,445 0.824,446 -0.139,447 -0.147,449 -0.357,450 -0.133,451 0.835,452 0.051,453 2.578,454 0.577,455 -0.418,456 -0.481,458 -1.072,459 -0.411,460 0.325,461 -0.471,462 2.191,463 0.117,464 -0.885,465 -0.946,467 -2.14,468 -0.87,469 12.133,470 0.467,471 0.757,472 0.029,473 22.25,474 0.856,475 5.5,476 0.212,477 16.75,478 0.644,479 31.036,480 1.194,481 31.667,482 0.537,483 13.897,484 0.534,485 3.583,486 0.138,487 8.832,488 0.34,489 0.151,490 0.041,491 0.231,496 0.679,497 1.624,498 0.976,499 1.451,500 0.561,501 1.279,502 0.625,503 1.336,504 0.932,505 1.225,506 0.396,507 1.131,508 1.057,509 1.169,510 1.153,511 1.177,512 0.841,513 1.173,514 0.945,515 0.946,516 0.853,517 0.886,518 0.949,519 0.857,520 1.971,521 1.042,522 1.237,523 0.879,524 2.272,525 0.947,526 1.912,527 0.703,528 1.216,529 0.655,530 2.119,531 0.818,532 0.807,533 1.193,534 1.245,535 1.415,536 0.864,537 1.401,538 0.524,539 0.982,540 0.895,541 1.121,542 0.573,543 1.075,544 6.5,545 0.147,546 2.444,547 1.813,548 1.343,549 0.681,550 0.576,551 0.19,552 0.248,553 0.138,554 8781,555 17635,556 2.027,557 55.9,558 6,559 8,562 2,564 13,565 4,567 1.684,568 1.891,569 3.514,570 0.327,572 1,575 85.901,576 1.456,577 2.73,578 3.928,579 4.378,580 4.539,581 4.573,582 2.936,583 3.613,584 4.673,585 3.739,586 1215.05,587 8.058,588 16035.9,590 1,592 1,593 347.076,594 1.542,595 4.619,596 0.232,597 0.009,598 0.063,599 0.052,600 0.04,601 0.023,602 0.021,603 0.008,604 0.013,605 0.008,606 0.468,607 0.33,608 1,609 0.777,610 130.303,611 0.178,612 -0.105,613 0.079,614 -0.096,615 0.069,616 -0.037,617 0.265,618 -0.081,619 0.087,620 -0.065,621 0.219,622 -0.024,623 -0.109,624 -0.071,625 -0.154,626 -0.132,627 -0.079,628 -0.147,629 0.039,630 -0.055,631 0.119,632 0.025,633 0.02,634 0.078,635 -0.343,636 -0.067,637 -0.154,638 -0.022,639 -0.287,640 -0.054,641 -0.311,642 0.302,643 -0.134,644 0.228,645 -0.25,646 0.092,647 -0.072,648 -0.031,649 -0.283,650 -0.238,651 -0.099,652 -0.287,653 0.099,654 -0.102,655 0.008,656 -0.106,657 0.042,658 -0.071,659 1.66,660 5.207,661 0.654,662 26.231,663 0.992,664 1.154,665 2.716,666 7.377,667 0.6,668 3.367,669 3.689,670 3.85,671 4.078,672 4.159,673 4.127,674 4.174,675 4.248,676 4.369,677 4.394,678 7.212,679 0.554,680 363.58,681 3.367,682 4.905,683 5.72,684 6.592,685 7.422,686 8.295,687 9.132,688 10.005,689 10.848,690 11.721,691 11.9,694 1,698 2,699 1,701 3,710 3,714 1,715 1,716 5,738 59,739 6,741 28,743 61,744 18,745 1,752 3,753 3,757 1,759 3,763 9,766 9,768 2,769 16,770 1,772 1,778 1,782 1,786 1,789 33,790 7,791 2,792 8,797 7,803 1,804 1,822 1,823 2,851 1,855 3,859 3,862 26,869 10,871 2,874 2,875 1,876 1,886 1.7,889 1,893 13.75,894 11.083,895 5.611,896 3.945,898 0.921,899 1.131,900 0.91,901 6.518,902 7.941,903 3.481,904 3.917,905 4.254,906 4.671,907 4.725,908 4.813,909 4.836,910 4.949,911 5.163,912 5.283,913 0.875,914 35,915 9.688,917 4.037,918 7.548,919 19.251,921 16.161,924 2.048,925 53.25,929 364.904,930 57.138,931 90.666,933 25.145,936 57.138,937 390.049,938 90.666,939 26.476,940 60.08,942 77.217,943 4.901,944 4.276,945 364.904,947 364.904,948 147.805,949 25.145,952 164.795,953 225.254,956 93.785,957 4.276,958 49.744,960 364.904,961 115.811,962 57.138,965 364.904,966 30.663,967 31.376,968 36.022,969 74.889,970 364.904,971 115.811,972 57.138,973 0.584,974 0.315,975 0.168,976 0.084,977 18,978 8,979 0.082,980 5,982 1,983 3.879,984 204.413,986 17,987 109.457,993 19.564,994 8.662,995 5.649,997 114.035,999 12.151,1003 0.902,1004 1.898,1005 36.022,1006 537.854,1007 31.5,1013 12.207,1017 0.007,1020 58.527,1021 68.095,1022 0.247,1023 0.464,1024 0.668,1025 0.744,1026 0.772,1027 0.777,1028 4.756,1029 1.172,1030 5.733,1031 3.053,1032 4.369,1033 4.6,1034 1.988,1035 6.538,1036 4.294,1037 5.91,1038 1,1039 7.294,1040 2.973,1041 4.111,1042 4.407,1043 1.305,1044 7.67,1045 3.988,1046 7.198,1047 1,1048 8.97,1049 2.275,1050 6.009,1051 6.531,1052 2.497,1053 10.663,1054 5.842,1055 8.517,1056 0.864,1057 10.72,1058 2.174,1059 6.553,1060 7.188,1061 2.37,1062 12.655,1063 6.335,1064 9.874,1065 0.227,1066 12.523,1067 2.136,1068 7.98,1069 8.842,1070 3.271,1071 15.28,1072 7.722,1073 11.258,1074 -0.139,1075 14.364,1076 0.578,1077 8.881,1078 9.898,1079 3.422,1080 17.6,1081 8.573,1082 12.664,1083 -0.418,1084 16.235,1085 -0.357,1086 10.145,1087 11.381,1088 4.164,1089 20.136,1090 9.797,1091 3.383,1092 -0.885,1093 18.13,1094 -1.072,1095 11.212,1096 12.623,1097 4.469,1098 22.575,1099 10.815,1100 2.74,1101 12.248,1102 20.043,1103 -2.14,1104 12.424,1105 14.045,1106 5.114,1107 25.088,1108 11.986,1109 2.601,1110 7.926,1111 21.971,1112 4.027,1113 13.568,1114 15.371,1115 5.505,1116 27.57,1117 13.083,1118 2.419,1119 7.607,1120 23.911,1121 2.961,1122 14.769,1123 16.772,1124 6.092,1125 30.077,1126 14.241,1127 2.159,1128 7.026,1129 25.86,1130 2.856,1131 15.949,1132 18.135,1133 6.531,1134 32.574,1135 15.376,1136 1.854,1137 6.241,1138 27.817,1139 2.564,1140 17.152,1141 19.529,1142 7.084,1143 35.08,1144 16.535,1145 1.389,1146 4.946,1147 29.779,1148 2.341,1149 18.349,1150 20.909,1151 7.551,1152 37.582,1153 17.688,1154 8520,1155 12230,1156 18.375,1157 35.393,1158 42.038,1159 42.634,1160 41.803,1161 41.618,1162 41.617,1163 46.379,1164 5.984,1165 118.365,1166 40.205,1167 5.55,1168 5.562,1169 7.052,1170 5.392,1171 5.383,1172 6.686,1173 2.912,1174 19.775,1175 5.238,1176 13.235,1177 1.501,1178 1.523,1179 1.493,1180 1.486,1181 1.486,1182 1.656,1183 0.214,1184 4.227,1185 1.436,1186 3.987,1187 4.063,1188 3.928,1189 3.789,1190 7.431,1191 3.799,1192 3.883,1193 3.948,1194 3.775,1195 3.726,1196 5.212,1197 3.726,1198 3.811,1199 3.88,1200 3.683,1201 3.642,1202 4.388,1203 3.647,1204 3.516,1205 3.593,1206 3.396,1207 3.297,1208 4.29,1209 3.312,1210 3.424,1211 3.497,1212 3.314,1213 3.14,1214 4.269,1215 3.178,1216 3.141,1217 3.241,1218 2.986,1219 2.941,1220 3.962,1221 2.91,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.747,1227 2.91,1228 3.111,1229 3.206,1230 2.866,1231 2.885,1232 3.551,1233 2.898,1234 0.162,1235 0.127,1236 0.259,1237 0.155,1238 0.121,1239 4.55,1240 0.144,1241 3.562,1242 0.059,1243 7.25,1244 0.437,1245 4.341,1246 0.116,1247 3.383,1248 4.027,1249 1.656,1250 12.248,1251 3.238,1252 1.876,1253 1.818,1254 2.094,1255 2.06,1256 1.476,1257 2.067,1258 1.842,1259 1.779,1260 2.044,1261 2.019,1262 1.408,1263 2.037,1264 1.754,1265 1.691,1266 1.975,1267 1.951,1268 1.193,1269 1.96,1270 1.411,1271 1.341,1272 1.617,1273 1.688,1274 0.873,1275 1.666,1276 1.281,1277 1.213,1278 1.528,1279 1.542,1280 0.825,1281 1.54,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.825,1287 1.429,1288 1.153,1289 1.064,1290 1.513,1291 1.376,1292 0.818,1293 1.429,1294 1.033,1295 0.953,1296 1.417,1297 1.344,1298 0.478,1299 1.322,1300 4.043,1302 5.361,1303 2.398,1304 6.851,1305 4.595,1306 8.417,1307 6.605,1308 10.023,1310 6.315,1315 10.598,1317 6.303,1320 0.619,1321 2.366,1322 -0.115,1326 32.713,1327 85.901,1328 161.089,1329 231.734,1330 258.282,1331 267.792,1332 269.792,1333 50.538,1334 7.02,1335 87.97,1336 87.97,1337 17,1338 12.268,1339 2.807,1340 2.17,1341 44.724,1342 117,1343 100,1344 0.191,1345 204.027,1346 349.85,1347 489.585,1348 10841,1350 18.571,1351 0.714,1352 0.63,1353 18.571,1354 16.37,1355 12.415,1356 0.443,1357 0.357,1358 9.844,1359 11.821,1360 9.528,1361 7.97,1362 12.415,1363 9.988,1364 11.867,1365 0.304,1366 0.223,1367 11.867,1368 8.681,1369 8.57,1370 0.186,1371 0.117,1372 8.57,1373 5.398,1374 7.247,1375 0.125,1376 0.068,1377 7.247,1378 3.92,1379 5.23,1380 0.083,1381 0.043,1382 5.23,1383 2.684,1384 0.309,1385 78.419,1386 0.233,1387 25.718,1388 0.498,1389 134,1390 336.627,1391 150.646,1392 324.336,1393 442.27,1394 302,1395 152,1396 337.853,1397 169.065,1398 336.301,1399 480.66,1400 313,1401 4.469}
{0 CHEMBL1562575,1 1.719,2 9.577,3 1.883,4 3.545,5 92.668,6 9.108,7 0.414,8 3.863,9 3.918,10 3.749,11 3.461,12 5.005,13 3.451,14 4.432,15 4.53,16 4.094,17 3.859,18 5.803,19 3.845,20 4.697,21 4.814,22 4.246,23 4.003,24 6.016,25 3.993,26 4.724,27 4.853,28 4.072,29 3.883,30 6.249,31 3.868,32 4.529,33 4.675,34 3.881,35 3.709,36 6.155,37 3.683,38 4.383,39 4.561,40 3.699,41 3.605,42 5.693,43 3.542,44 4.289,45 4.419,46 3.705,47 3.486,48 5.715,49 3.491,50 4.188,51 4.311,52 3.605,53 3.375,54 5.642,55 3.368,56 0.16,57 0.572,58 7.903,59 4.272,60 25.484,61 3.963,62 0.578,63 0.955,64 13.755,65 7.086,66 61.821,67 6.85,68 0.767,69 1.19,70 24.347,71 10.057,72 80.591,73 9.495,74 1.034,75 1.18,76 24.846,77 9.503,78 159.207,79 8.467,80 0.91,81 0.98,82 19.538,83 7.749,84 154.906,85 7.887,86 0.595,87 0.866,88 19.704,89 7.529,90 62.328,91 8.262,92 0.615,93 0.746,94 16.516,95 6.227,96 90.668,97 5.601,98 0.707,99 0.681,100 13.329,101 5.252,102 90.732,103 4.876,104 17,105 43,106 0.299,107 0.612,108 0.746,109 0.838,110 0.863,111 0.872,112 3.305,113 0.984,114 -2.36,115 -2.39,116 -2.35,120 43.9,122 1,126 3,143 7,144 2,145 3,158 1,159 1,174 7,176 4,177 7,185 6,188 2,189 14,197 3,200 2,201 13,209 2,213 4,214 8,222 3,226 2,227 8,235 4,239 1,240 6,247 7,251 3,252 2,260 6,263 3,264 3,271 2,274 888,275 17.394,276 17.394,277 17.394,278 17.394,279 17.394,280 15.519,281 18.353,282 10.053,283 17.787,284 14.29,285 14.29,286 14.29,287 14.29,288 14.29,289 11.183,290 19.014,291 4.745,292 14.923,293 3.638,294 1.837,295 1.065,296 0.537,297 0.39,298 0.341,299 3.999,305 1,306 1,307 1,308 548,309 3.24,312 50.964,313 123.378,314 76.079,316 100.107,318 113.635,320 1.411,321 52.326,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 58.5,333 249,334 5.039,335 4.784,336 7.831,337 4.593,338 3.657,339 4.856,340 1.399,341 14.446,342 3.408,343 4.33,344 3.645,345 6.255,346 3.942,347 2.969,348 3.973,349 1.033,350 9.428,351 2.91,352 3.954,353 3.477,354 6.101,355 3.57,356 2.591,357 3.499,358 0.86,359 8.45,360 2.509,361 3.897,362 3.2,363 5.992,364 3.47,365 2.469,366 3.241,367 0.86,368 8.281,369 2.45,370 3.489,371 2.39,372 5.803,373 3.111,374 2.144,375 2.744,377 7.227,378 2.056,379 2.948,380 2.292,381 4.472,382 2.615,383 1.685,384 2.084,386 4.504,387 1.577,388 2.916,389 2.053,390 4.23,391 2.569,392 1.638,393 2.013,395 3.807,396 1.499,397 2.755,398 1.764,399 3.871,400 2.427,401 1.438,402 1.818,404 3.278,405 1.414,406 2.612,407 1.72,408 3.753,409 2.249,410 1.24,411 1.616,413 2.911,414 1.243,415 2.56,416 1.324,417 3.703,418 2.037,419 1.033,420 1.536,422 2.645,423 1.034,424 2.076,425 1.137,426 3.37,427 1.777,428 0.853,429 1.008,431 1.944,432 0.778,433 1.937,434 1.113,435 3.255,436 1.436,437 0.399,438 0.552,440 1.032,441 0.407,442 1.08,443 0.482,444 2.862,445 0.781,446 -0.141,447 -0.158,449 -0.33,450 -0.128,451 1,452 0.271,453 2.646,454 0.687,455 -0.232,456 -0.265,458 -0.55,459 -0.211,460 0.952,461 0.166,462 2.396,463 0.437,464 -0.556,465 -0.77,467 -1.383,468 -0.534,469 12.233,470 0.471,471 0.777,472 0.03,473 36,474 1.385,475 19,476 0.731,477 17,478 0.654,479 18.596,480 0.715,481 27.967,482 0.682,483 28.935,484 1.113,485 7.006,486 0.269,487 5.476,488 0.211,489 0.109,490 0.068,491 0.319,496 0.589,497 1.293,498 0.729,499 1.249,500 0.585,501 0.907,502 0.812,503 0.973,504 0.784,505 0.871,506 0.601,507 0.856,508 1.034,509 1.092,510 1.003,511 1.111,512 0.92,513 0.923,514 1.353,515 1.098,516 1.168,517 1.055,518 1.331,519 1.084,520 0.944,521 0.975,522 0.947,523 0.928,524 1.062,525 1.012,526 0.789,527 0.942,528 0.947,529 0.983,530 0.834,531 0.945,532 1.404,533 0.917,534 1.009,535 0.925,536 1.645,537 0.883,538 1.125,539 0.97,540 0.953,541 0.902,542 1.324,543 1.009,544 5.5,545 0.118,546 4.222,547 3.271,548 1.548,549 1.125,550 0.53,551 0.398,552 0.306,553 0.211,554 7813,555 25405,556 2.092,557 36.6,559 13,565 2,567 1.691,568 1.938,569 3.232,570 -0.684,571 1,572 1,575 70.488,576 1.719,577 3.521,578 4.293,579 4.821,580 4.967,581 5.016,582 2.656,583 4.393,584 4.677,585 3.402,586 1105.55,587 8.104,588 13395.3,589 1,590 1,592 1,593 219.66,594 1.619,595 4.616,596 0.19,597 0.007,598 0.098,599 0.067,600 0.04,601 0.034,602 0.019,603 0.014,604 0.013,605 0.01,606 0.49,607 0.5,608 1,609 0.596,610 125.559,611 0.036,612 -0.199,613 0.206,614 -0.137,615 -0.08,616 -0.003,617 0.056,618 0.089,619 0.068,620 0.088,621 0.09,622 0.031,623 -0.048,624 -0.094,625 0.029,626 -0.066,627 -0.05,628 0.03,629 -0.185,630 -0.121,631 -0.189,632 -0.098,633 -0.05,634 -0.165,635 0.106,636 0.002,637 -0.031,638 -0.013,639 0.198,640 -0.066,641 0.067,642 0.022,643 0.091,644 0.025,645 0.055,646 0.1,647 -0.233,648 0.035,649 -0.04,650 0.033,651 -0.259,652 0.052,653 0.047,654 0.006,655 -0.064,656 -0.003,657 -0.126,658 -0.111,659 4.931,660 5.602,661 0.769,662 19.154,663 1.032,664 1.112,665 1.129,666 1.274,667 0.7,668 3.401,669 3.784,670 4.111,671 4.394,672 4.625,673 4.673,674 4.727,675 4.812,676 4.883,677 4.942,678 5.853,679 0.687,680 373.41,681 3.401,682 4.977,683 5.861,684 6.774,685 7.679,686 8.598,687 9.512,688 10.434,689 11.353,690 12.278,691 2.4,698 1,709 7,714 5,716 12,721 1,735 2,738 41,739 16,740 2,741 29,743 44,744 18,745 12,746 5,747 7,748 2,752 4,753 6,763 1,766 1,768 14,769 4,772 4,776 1,778 4,782 2,785 1,786 1,789 15,790 7,792 8,793 1,797 1,803 0.5,804 6,822 1,823 2,824 1,826 1,828 1,855 2,857 1,862 26,866 1,869 4,872 2,875 1,886 14.6,889 4,891 2,893 13.417,894 7.45,895 5.556,896 2.433,898 2.483,899 1.326,900 1.008,901 4.213,902 10.094,903 3.689,904 4.317,905 4.875,906 5.413,907 5.917,908 6.056,909 6.327,910 6.463,911 6.744,912 6.861,913 1,914 49,915 10.069,917 4.914,918 8.176,919 17.97,921 15.401,924 2.676,925 69.583,929 176.567,930 114.213,931 1.519,933 116.603,935 5.807,936 108.406,937 293.169,938 1.519,940 15.344,941 72.141,942 104.441,943 40.409,945 176.567,947 176.567,948 109.924,949 116.603,950 5.807,952 153.024,953 140.145,956 15.344,957 94.581,958 5.807,960 176.567,961 118.121,962 114.213,964 5.807,965 176.567,966 42.072,967 67.852,969 116.603,970 176.567,971 118.121,972 114.213,973 0.597,974 0.364,975 0.199,976 0.111,977 23,978 10,979 0.068,980 3,981 2,982 1.2,983 3.686,984 231.426,985 0.2,986 20,987 120.211,992 1,993 17.07,994 6.417,995 2.908,997 118.121,998 10.594,1003 1.243,1006 408.901,1007 39,1011 -4.015,1013 50.105,1017 -1.186,1020 42.327,1021 45.581,1022 0.321,1023 0.657,1024 0.801,1025 0.9,1026 0.927,1027 0.936,1028 4.963,1029 1.438,1030 5.9,1031 3.807,1032 4.466,1033 5.004,1034 2.303,1035 6.823,1036 4.386,1037 6.21,1038 1.24,1039 7.54,1040 3.278,1041 4.29,1042 5.139,1044 8.141,1045 4.158,1046 7.578,1047 1.033,1048 9.301,1049 2.911,1050 6.205,1051 7.324,1052 2.574,1053 11.281,1054 6.027,1055 8.993,1056 0.853,1057 11.137,1058 2.645,1059 6.878,1060 8.294,1062 13.471,1063 6.625,1064 10.45,1065 0.399,1066 13.024,1067 1.944,1068 8.329,1069 10.039,1070 2.997,1071 16.245,1072 8.027,1073 11.937,1074 -0.141,1075 14.947,1076 1.032,1077 9.367,1078 11.351,1080 18.753,1081 8.977,1082 13.449,1083 -0.232,1084 16.897,1085 -0.33,1086 10.678,1087 12.964,1088 3.529,1089 21.444,1090 10.229,1091 3.657,1092 -0.556,1093 18.867,1094 -0.55,1095 11.864,1096 14.42,1098 24.06,1099 11.326,1100 2.969,1101 14.446,1102 20.855,1103 -1.383,1104 13.143,1105 15.994,1106 4.126,1107 26.733,1108 12.536,1109 2.591,1110 9.428,1111 22.856,1112 4.856,1113 14.388,1114 17.513,1116 29.385,1117 13.697,1118 2.469,1119 8.45,1120 24.869,1121 3.973,1122 15.665,1123 19.081,1124 4.759,1125 32.056,1126 14.899,1127 2.144,1128 8.281,1129 26.891,1130 3.499,1131 16.936,1132 20.629,1134 34.72,1135 16.089,1136 1.685,1137 7.227,1138 28.92,1139 3.241,1140 18.218,1141 22.197,1142 5.411,1143 37.39,1144 17.295,1145 1.638,1146 4.504,1147 30.955,1148 2.744,1149 19.5,1150 23.759,1152 40.058,1153 18.498,1154 7369,1155 13472,1156 19.186,1157 28.71,1158 44.752,1159 47.401,1160 46.101,1161 44.339,1162 44.231,1163 57.882,1164 8.304,1165 135.906,1166 42.573,1167 5.971,1168 6.784,1169 7.587,1170 5.666,1171 5.657,1172 7.856,1173 2.797,1174 22.791,1175 5.408,1176 12.23,1177 1.543,1178 1.635,1179 1.59,1180 1.529,1181 1.525,1182 1.996,1183 0.286,1184 4.686,1185 1.468,1186 4.156,1187 4.134,1188 4.764,1189 4.131,1190 7.717,1191 4.056,1192 3.953,1193 3.96,1194 3.917,1195 3.863,1196 7.43,1197 3.869,1198 3.633,1199 3.666,1200 3.684,1201 3.524,1202 7.422,1203 3.483,1204 3.556,1205 3.579,1206 3.494,1207 3.417,1208 6.999,1209 3.4,1210 3.324,1211 3.321,1212 3.283,1213 3.169,1214 4.914,1215 3.16,1216 3.126,1217 3.114,1218 3.1,1219 2.938,1220 4.673,1221 2.958,1222 3.033,1223 3.069,1224 2.903,1225 2.782,1226 4.323,1227 2.797,1228 2.766,1229 2.827,1230 2.626,1231 2.586,1232 4.285,1233 2.588,1234 0.174,1235 0.165,1236 0.27,1237 0.158,1238 0.126,1239 5.039,1240 0.167,1241 4.784,1242 0.048,1243 7.831,1244 0.498,1245 4.593,1246 0.118,1247 3.657,1248 4.856,1249 1.399,1250 14.446,1251 3.408,1252 1.923,1253 1.93,1254 1.98,1255 2.006,1256 1.157,1257 2.014,1258 1.896,1259 1.884,1260 1.971,1261 1.971,1262 1.155,1263 1.987,1264 1.603,1265 1.618,1266 1.849,1267 1.802,1268 1.106,1269 1.818,1270 1.58,1271 1.524,1272 1.609,1273 1.791,1274 0.883,1275 1.796,1276 1.239,1277 1.253,1278 1.28,1279 1.439,1280 0.485,1281 1.439,1282 1.057,1283 1.049,1284 1.198,1285 1.269,1286 0.434,1287 1.263,1288 0.939,1289 0.889,1290 1.102,1291 1.201,1292 0.237,1293 1.196,1294 0.814,1295 0.751,1296 1.08,1297 1.006,1298 0.172,1299 1.041,1300 4.078,1302 5.442,1303 2.398,1304 7.006,1305 5.13,1306 8.661,1307 7.466,1308 10.368,1315 1.171,1318 11.058,1321 0.614,1326 28.185,1327 70.488,1328 144.357,1329 176.008,1330 197.66,1331 203.66,1332 205.66,1333 66.057,1334 7.61,1335 89.98,1336 98.36,1337 24,1338 12.784,1339 4.087,1340 3.459,1341 38.05,1342 93,1343 79,1344 0.205,1345 172.343,1346 309.85,1347 412.276,1348 21556,1350 18.311,1351 0.704,1352 0.557,1353 18.561,1354 14.491,1355 12.481,1356 0.43,1357 0.328,1358 8.052,1359 11.14,1360 7.82,1361 6.377,1362 13.27,1363 9.513,1364 11.786,1365 0.274,1366 0.181,1367 13.068,1368 7.779,1369 10.301,1370 0.172,1371 0.101,1372 11.627,1373 6.056,1374 8.678,1375 0.108,1376 0.056,1377 10.092,1378 4.471,1379 7.199,1380 0.071,1381 0.031,1382 8.419,1383 3.106,1384 0.316,1385 87.26,1386 0.228,1387 24.756,1388 0.575,1389 144,1390 524.919,1391 202.347,1392 507.114,1393 677.75,1394 468,1395 175,1396 458.92,1397 245.696,1398 493.452,1399 734.26,1400 464,1401 6.796}
{0 CHEMBL1562825,1 1.845,2 11.12,3 3.218,4 10.358,5 98.58,6 8.791,7 0.462,8 3.828,9 3.933,10 3.512,11 3.317,12 5.123,13 3.324,14 4.269,15 4.394,16 3.819,17 3.615,18 5.664,19 3.613,20 4.466,21 4.632,22 3.789,23 3.684,24 5.713,25 3.653,26 4.423,27 4.6,28 3.66,29 3.595,30 5.634,31 3.562,32 4.395,33 4.583,34 3.647,35 3.586,36 5.578,37 3.531,38 4.468,39 4.681,40 3.705,41 3.542,42 5.74,43 3.49,44 4.326,45 4.522,46 3.721,47 3.507,48 5.585,49 3.464,50 4.283,51 4.451,52 3.667,53 3.544,54 5.58,55 3.483,56 0.219,57 0.605,58 6.447,59 3.395,60 11.339,61 3.806,62 0.415,63 0.866,64 12.798,65 5.331,66 52.849,67 6.048,68 0.594,69 0.985,70 20.623,71 6.959,72 38.861,73 7.712,74 0.542,75 0.902,76 16.939,77 6.339,78 51.382,79 7.304,80 0.459,81 0.909,82 17.12,83 6.568,84 38.329,85 7.935,86 0.756,87 0.911,88 20.904,89 6.82,90 72.109,91 8.415,92 0.597,93 0.85,94 19.057,95 5.804,96 50.234,97 6.606,98 0.543,99 0.835,100 16.919,101 5.815,102 61.451,103 6.287,104 24,105 33,106 0.324,107 0.626,108 0.728,109 0.822,110 0.854,111 0.871,112 3.266,113 0.882,114 -3.77,115 -3.73,116 -3.55,120 39,126 2,143 8,144 1,145 3,156 1,160 1,164 1,165 1,166 1,167 2,170 1,174 6,176 1,177 7,181 1,184 1,185 6,188 1,189 11,191 1,192 1,194 1,197 4,200 1,201 6,206 1,213 2,214 5,217 1,219 2,224 1,226 4,227 4,230 1,232 2,237 1,239 1,240 1,242 1,243 3,245 1,247 4,249 1,251 1,254 1,255 2,257 1,260 8,262 1,263 2,264 2,266 2,267 2,271 6,274 1106,275 16.673,276 16.673,277 16.673,278 16.673,279 16.673,280 14.504,281 18.51,282 10.342,283 17.216,284 12.855,285 12.855,286 12.855,287 12.855,288 12.855,289 9.668,290 19.28,291 4.944,292 13.7,293 3.512,294 1.787,295 1.208,296 0.671,297 0.488,298 0.39,299 3.933,305 1,306 1,307 1,308 566,309 3.873,313 190.21,320 1.725,321 30.036,323 1,324 1,325 1,326 1,327 0.6,329 0.83,330 1,331 0.78,332 56,333 278,334 4.37,335 3.781,336 6.228,337 3.925,338 2.955,339 4.086,340 2.612,341 9.344,342 2.867,343 3.984,344 3.723,345 5.803,346 3.483,347 2.534,348 3.51,349 1.71,350 7.777,351 2.407,352 3.896,353 3.081,354 5.34,355 3.46,356 2.509,357 3.444,358 0.86,359 6.965,360 2.38,361 3.571,362 2.867,363 4.668,364 3.093,365 2.222,366 2.751,367 0.86,368 5.198,369 1.929,370 3.106,371 2.245,372 4.45,373 2.681,374 1.757,375 2.245,377 4.485,378 1.611,379 2.981,380 1.985,381 3.809,382 2.519,383 1.563,384 2.124,386 3.323,387 1.485,388 2.931,389 1.833,390 3.711,391 2.318,392 1.348,393 2.067,395 3.009,396 1.301,397 2.562,398 1.519,399 3.458,400 2.15,401 1.178,402 1.5,404 2.66,405 1.137,406 2.5,407 1.32,408 3.282,409 2,410 1,411 1.457,413 2.17,414 1,415 2.462,416 1,417 3.247,418 1.946,419 1,420 1.443,422 2.136,423 0.937,424 1.686,425 1,426 2.911,427 1.384,428 0.499,429 0.572,431 1.132,432 0.436,433 1.256,434 0.993,435 2.489,436 0.952,437 0.014,438 0.017,440 0.034,441 0.013,442 1.023,443 0.684,444 2.317,445 0.595,446 -0.339,447 -0.42,449 -0.801,450 -0.313,451 1,452 0.225,453 2.136,454 0.287,455 -0.649,456 -0.823,458 -1.45,459 -0.597,460 0.706,461 -0.121,462 1.883,463 0.116,464 -0.854,465 -1.128,467 -2,468 -0.78,469 11.767,470 0.471,471 0.527,472 0.021,473 34,474 1.36,475 18.5,476 0.74,477 15.5,478 0.62,479 16.18,480 0.647,481 27.233,482 0.664,483 25.825,484 1.033,485 7.287,486 0.291,487 4.772,488 0.191,489 0.161,491 0.246,496 0.661,497 0.984,498 0.614,499 0.834,500 0.642,501 0.851,502 0.955,503 1.178,504 0.751,505 1.042,506 0.502,507 1.01,508 1.126,509 1.043,510 1.099,511 1.102,512 0.677,513 1.036,514 1.229,515 1.041,516 0.855,517 0.901,518 1.096,519 1.044,520 0.837,521 1.1,522 0.879,523 1.088,524 0.857,525 1.15,526 0.882,527 0.86,528 0.732,529 0.773,530 0.676,531 0.867,532 1.009,533 0.801,534 0.944,535 0.825,536 0.717,537 0.799,538 1.189,539 0.846,540 1.1,541 0.904,542 1.561,543 0.953,544 4.5,545 0.103,546 2.222,547 1,548 0.884,549 0.618,550 0.426,551 0.372,552 0.263,553 0.101,554 7222,555 27368,556 1.973,557 39,559 12,561 1,562 3,567 1.68,568 1.852,569 3.453,570 1.084,571 1,572 1,575 75.66,576 1.845,577 3.57,578 4.15,579 4.687,580 4.87,581 4.967,582 2.889,583 4.164,584 4.611,585 3.64,586 1091.99,587 7.979,588 14186.4,589 1,590 1,592 1,593 219.66,594 1.359,595 4.575,596 0.173,597 0.006,598 0.067,599 0.031,600 0.032,601 0.023,602 0.016,603 0.014,604 0.01,605 0.004,606 0.377,607 0.33,608 1,609 1.458,610 123.355,611 0.097,612 0.163,613 0.017,614 0.04,615 -0.067,616 0.018,617 0.002,618 -0.155,619 0.01,620 -0.124,621 0.195,622 -0.095,623 -0.094,624 -0.063,625 -0.149,626 -0.12,627 -0.003,628 -0.078,629 -0.177,630 -0.124,631 -0.078,632 -0.056,633 -0.132,634 -0.099,635 0.038,636 -0.15,637 -0.042,638 -0.189,639 -0.043,640 -0.171,641 0.191,642 0.024,643 0.192,644 0.11,645 0.177,646 0.123,647 0.026,648 0.202,649 0.101,650 0.157,651 0.052,652 0.16,653 -0.14,654 0.157,655 -0.089,656 0.113,657 -0.284,658 0.004,659 2.499,660 3.908,661 0.48,662 26.95,663 1.027,664 1.128,665 2.539,666 6.447,667 0.684,668 3.296,669 3.526,670 3.664,671 3.807,672 3.989,673 3.97,674 3.989,675 3.932,676 3.932,677 3.912,678 6.828,679 0.666,680 360.43,681 3.296,682 4.779,683 5.565,684 6.385,685 7.194,686 8.021,687 8.841,688 9.673,689 10.499,690 11.335,691 9.8,698 2,700 1,702 1,709 8,714 4,716 12,731 1,735 2,738 41,739 16,740 2,741 26,743 42,744 16,745 12,746 4,747 8,748 1,752 2,753 2,755 1,757 1,768 14,769 2,772 4,775 1,778 2,779 1,780 1,781 1,782 1,785 1,786 1,789 16,790 7,791 3,792 9,793 1,797 4,803 1,804 4,823 2,855 2,857 1,862 25,863 1,869 2,871 1,872 2,886 9.8,891 2,892 2,893 13.5,894 7.067,895 5.722,896 2.122,898 2.65,899 1.402,900 0.934,901 7.436,902 9.235,903 3.611,904 4.127,905 4.554,906 5.034,907 5.527,908 5.647,909 5.854,910 5.842,911 6.018,912 6.131,913 1,914 32,915 9.121,917 3.687,918 8.12,919 16.634,921 12.439,924 2.62,925 65.5,928 1,929 153.024,930 155.948,931 73.118,933 72.747,935 45.192,936 110.756,937 225.771,938 73.118,939 5.67,940 59.97,941 75.81,942 20.819,943 55.092,944 0.285,945 141.253,946 95.939,947 153.024,948 183.874,949 72.747,950 45.192,952 153.024,953 22,954 50.747,956 76.633,957 92.524,958 14.717,959 45.192,960 153.024,961 145.865,962 155.948,965 153.024,966 25.898,967 90.527,968 17.888,969 167.499,970 153.024,971 145.865,972 155.948,973 0.56,974 0.298,975 0.148,976 0.083,977 12,978 6,979 0.19,980 8,982 1,983 3.797,984 181.139,986 12,987 110.096,990 1,993 18.955,994 9.807,995 6.561,997 140.195,998 13.516,1003 1.496,1005 50.785,1006 454.837,1007 36,1010 -0.499,1013 21.815,1014 4.64,1015 1.347,1016 3.803,1017 -0.014,1020 42.094,1021 46.242,1022 0.344,1023 0.666,1024 0.775,1025 0.875,1026 0.909,1027 0.927,1028 4.787,1029 1.178,1030 5.501,1031 3.009,1032 4.205,1033 4.812,1034 2.994,1035 6.188,1036 4.093,1037 5.965,1038 1,1039 6.986,1040 2.66,1041 3.611,1042 4.511,1043 2.587,1044 6.887,1045 3.428,1046 7.237,1047 1,1048 8.572,1049 2.17,1050 5.673,1051 6.918,1052 4.349,1053 9.908,1054 5.468,1055 8.544,1056 0.499,1057 10.22,1058 2.136,1059 5.889,1060 7.43,1061 4.619,1062 11.468,1063 5.626,1064 9.881,1065 0.014,1066 11.91,1067 1.132,1068 7.409,1069 9.312,1070 6.027,1071 13.981,1072 7.132,1073 11.24,1074 -0.339,1075 13.629,1076 0.034,1077 8.024,1078 10.217,1079 6.606,1080 15.901,1081 7.704,1082 12.616,1083 -0.649,1084 15.368,1085 -0.801,1086 9.296,1087 11.862,1088 7.828,1089 18.229,1090 8.962,1091 2.955,1092 -0.854,1093 17.122,1094 -1.45,1095 10.121,1096 12.975,1097 8.57,1098 20.31,1099 9.752,1100 2.534,1101 9.344,1102 18.888,1103 -2,1104 11.275,1105 14.501,1106 9.684,1107 22.569,1108 10.891,1109 2.509,1110 7.777,1111 20.662,1112 4.086,1113 12.213,1114 15.731,1115 10.518,1116 24.725,1117 11.798,1118 2.222,1119 6.965,1120 22.444,1121 3.51,1122 13.314,1123 17.194,1124 11.569,1125 26.96,1126 12.881,1127 1.757,1128 5.198,1129 24.231,1130 3.444,1131 14.313,1132 18.493,1133 12.456,1134 29.152,1135 13.852,1136 1.563,1137 4.485,1138 26.023,1139 2.751,1140 15.392,1141 19.924,1142 13.47,1143 31.38,1144 14.91,1145 1.348,1146 3.323,1147 27.818,1148 2.245,1149 16.424,1150 21.264,1151 14.388,1152 33.59,1153 15.915,1154 7308,1155 14400,1156 16.989,1157 28.057,1158 37.636,1159 39.724,1160 37.966,1161 37.206,1162 37.158,1163 50.428,1164 12.085,1165 96.467,1166 35.007,1167 5.268,1168 5.781,1169 6.03,1170 5.02,1171 4.955,1172 7.086,1173 4.612,1174 15.676,1175 4.867,1176 13.237,1177 1.448,1178 1.528,1179 1.46,1180 1.431,1181 1.429,1182 1.94,1183 0.465,1184 3.71,1185 1.346,1186 4.007,1187 4.029,1188 3.984,1189 3.882,1190 7.815,1191 3.894,1192 3.887,1193 3.912,1194 3.881,1195 3.809,1196 6.999,1197 3.806,1198 3.601,1199 3.648,1200 3.819,1201 3.397,1202 5.234,1203 3.348,1204 3.512,1205 3.562,1206 3.54,1207 3.266,1208 4.899,1209 3.286,1210 3.388,1211 3.43,1212 3.297,1213 3.1,1214 4.822,1215 3.137,1216 3.115,1217 3.187,1218 3.106,1219 2.91,1220 4.561,1221 2.932,1222 2.885,1223 2.925,1224 2.779,1225 2.735,1226 4.371,1227 2.715,1228 2.854,1229 2.919,1230 2.687,1231 2.703,1232 4.205,1233 2.707,1234 0.168,1235 0.145,1236 0.24,1237 0.151,1238 0.114,1239 4.37,1240 0.157,1241 3.781,1242 0.1,1243 6.228,1244 0.359,1245 3.925,1246 0.11,1247 2.955,1248 4.086,1249 2.612,1250 9.344,1251 2.867,1252 1.923,1253 1.903,1254 2.007,1255 2.089,1256 1.111,1257 2.048,1258 1.872,1259 1.847,1260 1.993,1261 1.976,1262 1.053,1263 1.983,1264 1.436,1265 1.389,1266 1.702,1267 1.766,1268 0.94,1269 1.709,1270 1.404,1271 1.347,1272 1.486,1273 1.686,1274 0.384,1275 1.672,1276 1.193,1277 1.164,1278 1.293,1279 1.557,1280 0.218,1281 1.504,1282 1.041,1283 0.991,1284 1.211,1285 1.309,1286 0.184,1287 1.305,1288 0.886,1289 0.821,1290 1.181,1291 1.073,1292 0.159,1293 1.107,1294 0.835,1295 0.792,1296 1.084,1297 1.062,1298 0.126,1299 1.07,1300 3.97,1302 5.22,1304 6.65,1306 8.167,1308 9.732,1313 5.277,1315 0.582,1317 2.387,1318 11.15,1326 27.293,1327 75.66,1328 146.375,1329 170.15,1330 192.15,1331 199.66,1332 203.66,1333 53.514,1334 6.585,1335 114.69,1336 146.78,1337 12,1338 11.906,1339 4.087,1340 3.459,1341 51.635,1342 98,1343 102,1344 0.245,1345 177.408,1346 312.75,1347 424.635,1348 6054,1350 18.071,1351 0.723,1352 0.558,1353 18.571,1354 13.94,1355 12.059,1356 0.464,1357 0.294,1358 7.12,1359 11.085,1360 6.986,1361 5.808,1362 12.347,1363 7.645,1364 10.451,1365 0.317,1366 0.156,1367 10.943,1368 5.163,1369 7.642,1370 0.201,1371 0.08,1372 7.786,1373 3.027,1374 5.806,1375 0.132,1376 0.044,1377 5.908,1378 1.928,1379 4.561,1380 0.086,1381 0.023,1382 4.619,1383 1.22,1384 0.39,1385 80.196,1386 0.243,1387 24.861,1388 0.652,1389 118,1390 464.738,1391 149.377,1392 460.313,1393 597.4,1394 424,1395 130,1396 413.59,1397 153.64,1398 415.875,1399 589.22,1400 388,1401 4.279}
{0 CHEMBL1562839,1 2.104,2 9.316,3 2.868,4 8.227,5 72.831,6 11.027,7 0.55,8 3.449,9 3.53,10 3.376,11 3.065,12 4.809,13 3.046,14 3.865,15 3.945,16 3.752,17 3.412,18 5.441,19 3.371,20 4.052,21 4.195,22 3.702,23 3.36,24 5.413,25 3.321,26 3.982,27 4.155,28 3.43,29 3.169,30 5.404,31 3.144,32 3.806,33 3.962,34 3.39,35 2.915,36 5.337,37 2.949,38 3.635,39 3.783,40 3.154,41 2.948,42 5.009,43 2.9,44 3.535,45 3.633,46 3.387,47 2.942,48 5.456,49 2.895,50 3.468,51 3.623,52 3,53 2.899,54 4.654,55 2.748,56 0.194,57 0.418,58 1.678,59 2.101,60 12.645,61 1.79,62 0.343,63 0.614,64 4.221,65 3.712,66 45.827,67 3.362,68 0.446,69 0.682,70 11.952,71 4.721,72 47.803,73 3.75,74 0.479,75 0.585,76 13.389,77 4.686,78 58.147,79 4.571,80 0.494,81 0.501,82 8.455,83 3.222,84 61.136,85 2.297,86 0.372,87 0.412,88 8.857,89 3.317,90 53.088,91 2.936,92 0.419,93 0.37,94 4.598,95 2.713,96 65.882,97 2.594,98 0.25,99 0.361,100 9.363,101 3.564,102 35.989,103 3.393,104 18,105 27,106 0.405,107 0.666,108 0.762,109 0.831,110 0.845,111 0.845,112 3.008,113 0.955,114 -3.59,115 -3.57,116 -3.4,120 40.7,143 5,145 3,152 1,154 1,160 1,167 2,174 2,176 1,177 2,180 2,181 1,182 3,185 5,189 4,194 3,197 4,201 3,204 1,206 3,214 3,217 2,219 4,226 1,230 1,235 2,239 2,240 1,243 2,245 1,247 4,252 2,260 2,264 6,271 1,274 433,275 12.378,276 12.378,277 12.378,278 12.378,279 12.378,280 10.549,281 18.277,282 7.347,283 12.847,284 9.867,285 9.867,286 9.867,287 9.867,288 9.867,289 7.164,290 26.615,291 3.527,292 10.678,293 2.651,294 1.301,295 0.8,296 0.444,297 0.37,298 0.37,299 3.661,303 1,306 1,307 1,308 365,309 3.162,312 58.756,313 69.207,320 1.49,321 26.631,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42.833,333 177,334 4.311,335 3.783,336 6.006,337 3.792,338 2.871,339 4.018,340 2.612,341 8.606,342 2.648,343 4.045,344 3.561,345 5.553,346 3.62,347 2.67,348 3.629,349 1.656,350 7.547,351 2.52,352 3.785,353 2.937,354 5.289,355 3.326,356 2.387,357 3.186,358 0.247,359 6.691,360 2.228,361 3.528,362 2.604,363 4.946,364 3.03,365 2.112,366 2.835,368 5.824,369 1.913,370 3.242,371 2.388,372 4.566,373 2.739,374 1.775,375 2.453,377 4.764,378 1.63,379 2.692,380 1.709,381 3.653,382 2,383 1.09,384 1.679,386 2.631,387 1,388 2.5,389 1,390 3.414,391 1.983,392 1,393 1.5,395 2.275,396 0.951,397 2.176,398 1,399 3.253,400 1.524,401 0.66,402 1,404 1.607,405 0.554,406 1.41,407 0.813,408 2.877,409 1.036,410 0.148,411 0.175,413 0.353,414 0.118,415 1,416 0.737,417 2.243,418 0.592,419 -0.35,420 -0.426,422 -0.929,423 -0.29,424 0.997,425 0.402,426 2,427 0.236,428 -0.689,429 -0.91,431 -1.632,432 -0.566,433 0.689,435 1.78,437 -1,438 -1.5,440 -2,441 -1,442 0.5,443 -0.728,444 1.688,446 -1,447 -1.601,449 -3,450 -1,451 0.15,452 -0.916,453 1.368,454 -0.304,455 -1.232,456 -1.701,458 -3.11,459 -1.11,460 -0.01,461 -1,462 1.147,463 -0.492,464 -1.328,465 -1.877,467 -3.482,468 -1.143,469 9.248,470 0.487,471 0.544,472 0.029,473 27.75,474 1.461,475 15.5,476 0.816,477 12.25,478 0.645,479 10.984,480 0.578,481 20.152,482 0.746,483 17.995,484 0.947,485 5.496,486 0.289,487 3.546,488 0.187,489 0.185,491 0.314,496 0.521,497 0.983,498 0.585,499 0.649,500 0.533,501 0.676,502 0.435,503 1.177,504 0.785,505 1.034,506 0.413,507 1.019,508 1.028,509 1.277,510 1.128,511 1.233,512 0.848,513 1.201,514 1.081,515 1.05,516 0.946,517 1.001,518 0.992,519 1.049,520 1.313,521 0.949,522 0.709,523 0.785,524 1.48,525 0.837,526 1.131,527 0.671,528 1.026,529 0.819,530 1.247,531 0.926,532 0.192,533 0.715,534 0.7,535 0.873,536 0.313,537 0.991,538 0.816,539 1.039,540 1.368,541 1.324,542 0.783,543 1.289,544 5,545 0.065,546 1.778,547 1.222,548 0.912,549 0.445,550 0.345,551 0.109,552 0.177,553 0.097,554 3363,555 16052,556 1.965,557 29.6,559 5,560 1,562 2,567 1.596,568 1.81,569 3.22,570 0.548,574 1,575 56.818,576 2.104,577 3.454,578 3.955,579 4.31,580 4.385,581 4.385,582 2.695,583 3.932,584 4.22,585 3.353,586 573.382,587 7.156,588 5831.76,589 1,590 1,592 1,593 128.382,594 1.509,595 4.159,596 0.25,597 0.009,598 0.066,599 0.053,600 0.046,601 0.026,602 0.023,603 0.007,604 0.016,605 0.01,606 0.506,607 0.67,608 1,609 0.92,610 84.226,611 0.082,612 0.149,613 0.002,614 0.164,615 -0.038,616 0.076,617 0.258,618 -0.114,619 -0.035,620 -0.111,621 0.227,622 -0.184,623 -0.202,624 -0.275,625 -0.157,626 -0.288,627 -0.116,628 -0.241,629 -0.139,630 -0.159,631 -0.029,632 -0.105,633 -0.059,634 0.013,635 -0.176,636 0.04,637 0.066,638 0.081,639 -0.252,640 0.091,641 -0.154,642 0.248,643 -0.118,644 0.125,645 -0.233,646 0.094,647 0.783,648 0.236,649 0.178,650 0.059,651 0.689,652 -0.062,653 -0.064,654 -0.126,655 -0.174,656 -0.112,657 -0.079,658 -0.1,659 2.507,660 4.625,661 0.579,662 13.967,663 1.05,664 1.12,665 2.365,666 5.593,667 0.747,668 3.045,669 3.332,670 3.466,671 3.638,672 3.714,673 3.638,674 3.584,675 3.466,676 3.497,677 3.497,678 5.551,679 0.733,680 297.74,681 3.045,682 4.554,683 5.352,684 6.196,685 7.013,686 7.857,687 8.681,688 9.523,689 10.35,690 11.192,691 11.1,698 2,702 1,709 6,713 1,714 4,716 11,731 1,737 1,738 27,739 14,740 1,741 20,743 28,744 11,745 10,746 2,747 4,752 2,753 2,754 1,757 1,768 11,772 3,775 1,778 3,782 1,786 1,789 8,790 5,791 2,792 8,793 2,797 3,803 1,804 3,822 1,823 1,855 2,857 1,860 1,862 19,871 2,880 1,885 1,886 11.1,889 1,892 2,893 10.5,894 4.76,895 4.194,896 1.347,898 2.087,899 1.345,900 0.963,901 4.472,902 8.137,903 3.384,904 3.966,905 4.384,906 4.882,907 5.204,908 5.247,909 5.25,910 5.268,911 5.388,912 5.784,913 1,914 23,915 6.942,917 2.929,918 8.357,919 12.453,921 9.645,924 2.857,925 54.278,929 70.627,930 100.527,931 41.692,932 39.149,933 75.892,935 31.278,936 69.25,937 185.667,938 41.692,939 5.67,940 36.022,941 55.03,942 25.145,943 9.944,944 16.047,945 90.133,946 89.896,947 70.627,948 110.941,949 75.892,950 70.426,952 70.627,953 25.145,954 50.747,956 36.951,957 68.32,958 44.819,959 31.278,960 70.627,961 117.583,962 139.676,965 70.627,966 45.497,967 60.7,968 36.022,969 115.04,970 70.627,971 117.583,972 139.676,973 0.581,974 0.313,975 0.154,976 0.083,977 12,978 6,979 0.107,980 3,982 1,983 3.188,984 126.616,986 11,987 74.711,989 1,993 13.927,994 6.101,995 3.99,997 111.913,998 9.39,1002 0.949,1003 1.496,1005 36.022,1006 327.886,1007 28.5,1010 -0.507,1013 32.622,1017 -0.477,1020 28.338,1021 30.233,1022 0.443,1023 0.726,1024 0.832,1025 0.907,1026 0.922,1027 0.922,1028 4.582,1029 0.66,1030 5.333,1031 2.275,1032 4.007,1033 4.649,1034 2.833,1035 6.052,1036 3.859,1037 5.796,1038 0.148,1039 6.843,1040 1.607,1041 3.611,1042 4.511,1043 2.558,1044 6.749,1045 3.375,1046 7.095,1047 -0.35,1048 8.441,1049 0.353,1050 5.525,1051 6.804,1052 4.303,1053 9.732,1054 5.241,1055 8.423,1056 -0.689,1057 10.085,1058 -0.929,1059 5.861,1060 7.42,1061 4.603,1062 11.176,1063 5.471,1064 9.774,1065 -1,1066 11.758,1067 -1.632,1068 7.281,1069 9.206,1070 6.01,1071 13.661,1072 6.859,1073 11.141,1074 -1,1075 13.451,1076 -2,1077 7.953,1078 10.172,1079 6.597,1080 15.443,1081 7.421,1082 12.521,1083 -1.232,1084 15.157,1085 -3,1086 9.163,1087 11.746,1088 7.82,1089 17.728,1090 8.597,1091 2.871,1092 -1.328,1093 16.874,1094 -3.11,1095 10.005,1096 12.893,1097 8.565,1098 19.682,1099 9.332,1100 2.67,1101 8.606,1102 18.599,1103 -3.482,1104 11.119,1105 14.367,1106 9.68,1107 21.88,1108 10.403,1109 2.387,1110 7.547,1111 20.332,1112 4.018,1113 12.051,1114 15.613,1115 10.515,1116 23.923,1117 11.233,1118 2.112,1119 6.691,1120 22.071,1121 3.629,1122 13.119,1123 17.038,1124 11.567,1125 26.083,1126 12.25,1127 1.775,1128 5.824,1129 23.814,1130 3.186,1131 14.099,1132 18.34,1133 12.455,1134 28.173,1135 13.134,1136 1.09,1137 4.764,1138 25.563,1139 2.835,1140 15.148,1141 19.741,1142 13.469,1143 30.319,1144 14.123,1145 1,1146 2.631,1147 27.315,1148 2.453,1149 16.155,1150 21.075,1151 14.387,1152 32.434,1153 15.038,1154 3422,1155 7600,1156 12.83,1157 20.17,1158 29.757,1159 31.105,1160 30.515,1161 29.448,1162 29.423,1163 40.949,1164 9.031,1165 80.595,1166 27.124,1167 5.181,1168 5.783,1169 5.42,1170 4.901,1171 4.871,1172 7.018,1173 4.612,1174 14.549,1175 4.648,1176 10.72,1177 1.488,1178 1.555,1179 1.526,1180 1.472,1181 1.471,1182 2.047,1183 0.452,1184 4.03,1185 1.356,1186 3.977,1187 3.995,1188 4.269,1189 3.92,1190 7.815,1191 3.87,1192 3.893,1193 3.915,1194 3.993,1195 3.835,1196 7.431,1197 3.816,1198 3.516,1199 3.549,1200 3.541,1201 3.144,1202 6.999,1203 3.21,1204 3.284,1205 3.303,1206 3.442,1207 2.894,1208 4.946,1209 2.993,1210 2.854,1211 2.925,1212 3.195,1213 2.735,1214 4.629,1215 2.715,1216 2.836,1217 2.865,1218 2.695,1219 2.692,1220 4.373,1221 2.693,1222 2.394,1223 2.471,1224 2.687,1225 2.343,1226 3.787,1227 2.233,1228 2.302,1229 2.401,1230 2.303,1231 2.014,1232 3.674,1233 2.022,1234 0.216,1235 0.189,1236 0.3,1237 0.19,1238 0.144,1239 4.311,1240 0.201,1241 3.783,1242 0.131,1243 6.006,1244 0.43,1245 3.792,1246 0.132,1247 2.871,1248 4.018,1249 2.612,1250 8.606,1251 2.648,1252 1.881,1253 1.857,1254 1.971,1255 1.983,1256 1.059,1257 1.984,1258 1.589,1259 1.561,1260 1.676,1261 1.917,1262 0.743,1263 1.815,1264 1.451,1265 1.445,1266 1.39,1267 1.708,1268 0.568,1269 1.669,1270 1.128,1271 1.097,1272 1.216,1273 1.347,1274 0.237,1275 1.338,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.218,1281 1.107,1282 0.742,1283 0.731,1284 0.88,1285 0.975,1287 1.016,1288 0.686,1289 0.673,1290 0.794,1291 0.916,1293 0.92,1294 0.094,1296 0.595,1297 0.546,1299 0.581,1300 3.714,1302 5.004,1303 2.398,1304 6.454,1305 4.595,1306 7.973,1307 6.581,1308 9.528,1311 5.72,1317 5.085,1326 19.804,1327 56.818,1328 93.263,1329 106.772,1330 116.382,1331 118.382,1332 118.382,1333 37.543,1334 6.05,1335 86.95,1336 115.19,1337 11,1338 11.759,1339 3.907,1340 3.248,1341 33.921,1342 63,1343 58,1344 0.265,1345 132.843,1346 226.95,1347 315.897,1348 2818,1349 3.7,1350 13.828,1351 0.728,1352 0.579,1353 14.682,1354 10.995,1355 9.042,1356 0.452,1357 0.318,1358 5.125,1359 7.843,1360 4.94,1361 4.094,1362 9.785,1363 6.367,1364 8.386,1365 0.311,1366 0.179,1367 9.345,1368 4.843,1369 6.131,1370 0.198,1371 0.105,1372 7.212,1373 3.258,1374 4.732,1375 0.128,1376 0.057,1377 5.585,1378 2.095,1379 3.454,1380 0.086,1381 0.029,1382 4.14,1383 1.18,1384 0.421,1385 65.26,1386 0.279,1387 19.404,1388 0.708,1389 94,1390 388.581,1391 145.023,1392 420.759,1393 536.36,1394 384,1395 105,1396 344.771,1397 147.334,1398 365.471,1399 521.16,1400 340,1401 4.503}
{0 CHEMBL1563287,1 1.58,2 9.107,3 4.3,4 18.487,5 107.637,6 7.967,7 0.688,8 3.982,9 4.091,10 3.625,11 3.547,12 5.099,13 3.546,14 4.518,15 4.676,16 3.986,17 3.943,18 5.614,19 3.928,20 4.741,21 4.938,22 4.043,23 4.074,24 5.774,25 4.03,26 4.748,27 4.955,28 4.038,29 4.102,30 5.749,31 4.045,32 4.794,33 4.999,34 4.096,35 4.159,36 5.787,37 4.099,38 4.839,39 5.039,40 4.104,41 4.166,42 5.871,43 4.114,44 4.849,45 5.063,46 3.995,47 4.113,48 5.923,49 4.038,50 4.785,51 5.019,52 3.719,53 4.024,54 5.724,55 3.89,56 0.027,57 0.773,58 8.311,59 4.095,60 6.225,61 4.983,62 0.273,63 1.278,64 16.836,65 6.748,66 21.867,67 8.146,68 0.35,69 1.556,70 23.308,71 8.886,72 33.027,73 11.29,74 0.314,75 1.575,76 23.106,77 9.004,78 30.205,79 11.856,80 0.324,81 1.6,82 23.915,83 9.267,84 27.264,85 12.675,86 0.268,87 1.699,88 24.608,89 9.19,90 26.935,91 12.066,92 0.493,93 1.701,94 26.461,95 9.68,96 44.82,97 12.586,98 0.22,99 1.47,100 25.777,101 10.89,102 31.556,103 14.539,104 2,105 45,106 0.265,107 0.581,108 0.721,109 0.794,110 0.804,111 0.804,112 3.376,113 0.873,114 -5.85,115 -5.71,116 -5.32,120 46.8,126 4,143 9,144 3,145 2,148 1,149 1,152 1,162 1,174 10,176 3,177 7,185 11,188 1,189 6,197 9,200 3,201 7,209 7,213 1,214 11,222 7,227 12,235 6,239 2,240 8,247 8,252 2,260 6,264 4,271 2,274 1226,275 19.621,276 19.621,277 19.621,278 19.621,279 19.621,280 17.102,281 18.407,282 11.773,283 20.165,284 15.857,285 15.857,286 15.857,287 15.857,288 15.857,289 12.094,290 20.524,291 5.632,292 16.753,293 3.975,294 2.098,295 1.261,296 0.825,297 0.766,298 0.766,299 4.092,306 1,307 1,308 569,309 2.121,312 52.795,313 290.664,316 101.098,320 1.337,321 22.352,323 1,324 0.75,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.81,332 60.5,333 255,334 4.791,335 3.445,336 7.111,337 4.337,338 3.376,339 4.762,340 0.86,341 12.399,342 3.253,343 4.145,344 3.054,345 6.336,346 3.756,347 2.82,348 3.741,349 0.8,350 9.589,351 2.657,352 3.989,353 2.887,354 6.085,355 3.644,356 2.673,357 3.532,359 8.76,360 2.58,361 3.782,362 2.686,363 5.541,364 3.354,365 2.407,366 3.217,368 7.053,369 2.267,370 3.413,371 2.409,372 5.055,373 3.059,374 2.125,375 2.665,377 5.993,378 1.972,379 3.241,380 2.139,381 4.76,382 2.736,383 1.766,384 2.582,386 4.807,387 1.711,388 2.992,389 1.762,390 4.458,391 2.636,392 1.722,393 2.097,395 4.358,396 1.565,397 2.804,398 1.571,399 4.115,400 2.286,401 1.343,402 1.939,404 3.228,405 1.266,406 2.556,407 1.32,408 3.701,409 2.139,410 1.237,411 1.581,413 2.971,414 1.104,415 2.5,416 1.256,417 3.524,418 2,419 1.047,420 1.5,422 2.664,423 1,424 2.5,425 1.104,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.418,434 1,435 3.413,436 1.992,437 1,438 1.401,440 2.136,441 0.986,442 2.076,443 1,444 3.247,445 1.952,446 1,447 1,449 2.136,450 0.946,451 2,452 0.835,453 3.247,454 1.66,455 0.728,456 0.965,458 1.938,459 0.675,460 1.144,461 0.318,462 2.675,463 0.726,464 -0.181,465 -0.226,467 -0.411,468 -0.159,469 13.219,470 0.472,471 0.534,472 0.019,473 39.75,474 1.42,475 20.5,476 0.732,477 19.25,478 0.688,479 20.594,480 0.735,481 28.781,482 0.612,483 29.607,484 1.057,485 8.002,486 0.286,487 5.808,488 0.207,489 0.022,491 0.325,494 1,496 0.699,497 1.203,498 0.677,499 1.062,500 0.541,501 0.905,502 1.037,503 0.915,504 0.905,505 0.867,506 0.664,507 0.86,508 1.033,509 1.043,510 0.942,511 0.909,512 0.877,513 0.907,514 0.729,515 0.905,516 0.915,517 0.92,518 0.738,519 0.937,520 0.506,521 0.853,522 0.84,523 0.922,524 0.384,525 0.93,526 0.845,527 1.03,528 1.037,529 1.046,530 0.579,531 1.052,532 0.944,533 0.907,534 1.151,535 1.029,536 0.852,537 1.098,538 0.669,539 0.969,540 1.075,541 1.228,542 0.683,543 1.238,544 3.5,545 0.074,546 2.889,547 1.854,548 1.473,549 1.188,550 0.638,551 0.301,552 0.176,553 0.163,554 9129,555 24813,556 2.223,557 40.4,559 17,560 1,561 1,567 1.721,568 2.154,569 3.147,570 -0.778,572 1,575 74.248,576 1.58,577 3.457,578 4.293,579 4.73,580 4.789,581 4.789,582 2.642,583 4.236,584 4.775,585 3.286,586 1242.23,587 8.363,588 15664.3,590 1,592 1,593 261.066,594 1.108,595 4.769,596 0.109,597 0.007,598 0.064,599 0.039,600 0.031,601 0.024,602 0.013,603 0.007,604 0.006,605 0.008,606 0.31,607 0.5,608 0.75,609 0.343,610 136.453,611 -0.016,612 -0.218,613 0.074,614 -0.107,615 -0.016,616 -0.022,617 -0.081,618 0.066,619 -0.042,620 0.058,621 -0.012,622 0.02,623 -0.086,624 -0.057,625 -0.009,626 0.049,627 -0.031,628 0.035,629 -0.014,630 0.056,631 -0.01,632 0.027,633 -0.055,634 0.013,635 0.072,636 0.014,637 0.047,638 0.021,639 0.034,640 0.028,641 -0.119,642 -0.104,643 -0.144,644 -0.127,645 -0.024,646 -0.13,647 -0.016,648 0.061,649 -0.202,650 -0.087,651 -0.019,652 -0.156,653 0.004,654 -0.138,655 -0.113,656 -0.207,657 -0.005,658 -0.189,659 1.924,660 5.44,661 0.964,662 23.612,663 1.007,664 1.125,665 4.619,666 21.337,667 0.692,668 3.497,669 3.829,670 4.174,671 4.522,672 4.844,673 4.997,674 5.22,675 5.403,676 5.529,677 5.606,678 5.561,679 0.668,680 374.45,681 3.497,682 5.043,683 5.922,684 6.821,685 7.726,686 8.641,687 9.56,688 10.484,689 11.41,690 12.339,691 8.5,697 1,699 1,701 2,708 2,709 11,710 2,714 5,715 1,716 22,732 1,737 1,738 47,739 22,740 2,741 32,743 51,744 22,745 18,746 3,747 9,752 5,753 6,768 18,769 4,786 1,787 1,789 19,790 5,792 6,797 4,803 0.8,804 1,817 1,818 1,822 1,823 4,826 1,854 1,855 4,861 1,862 28,869 4,872 1,875 1,885 1,886 2.1,890 1,893 13,894 8.526,895 6.111,896 2.852,898 3.681,899 1.465,900 1.049,901 4.456,902 11.597,903 3.784,904 4.422,905 5.104,906 5.794,907 6.43,908 6.868,909 7.418,910 7.929,911 8.333,912 8.721,913 1,914 47,915 10.344,917 4.479,918 7.685,919 19.923,921 16.723,924 2.185,925 61.167,928 1,929 223.651,930 141.214,931 38.594,933 11,934 14.96,936 141.214,937 234.651,938 53.555,940 13.396,941 94.334,942 58.057,943 34.464,944 29.059,945 200.109,947 223.651,948 179.808,949 25.96,952 238.611,954 11,956 25.629,957 120.608,958 33.571,960 238.611,961 49.594,962 141.214,965 223.651,966 38.261,967 107.976,969 59.531,970 223.651,971 64.554,972 141.214,973 0.576,974 0.343,975 0.201,976 0.121,977 24,978 9,979 0.059,980 3,981 1,982 1.074,983 3.919,984 267.244,985 0.074,986 27,987 122.606,993 17.207,994 7.25,995 3.156,996 1.807,997 62.655,998 20.333,999 9.206,1003 3.667,1004 2.003,1006 429.419,1007 43,1020 47.316,1021 52.864,1022 0.284,1023 0.622,1024 0.773,1025 0.852,1026 0.862,1027 0.862,1028 5.014,1029 1.343,1030 5.894,1031 4.358,1032 4.511,1033 5.109,1034 1.235,1035 6.746,1036 4.41,1037 6.219,1038 1.237,1039 7.466,1040 3.228,1041 4.007,1042 4.856,1043 0.325,1044 7.738,1045 3.852,1046 7.53,1047 1.047,1048 9.147,1049 2.971,1050 6.12,1051 7.372,1052 0.938,1053 10.926,1054 5.934,1055 8.885,1056 1,1057 10.897,1058 2.664,1059 6.524,1060 8.057,1061 0.268,1062 12.831,1063 6.291,1064 10.281,1065 1,1066 12.694,1067 2.275,1068 8.061,1069 9.991,1070 0.732,1071 15.539,1072 7.798,1073 11.707,1074 1,1075 14.524,1076 2.136,1077 8.891,1078 11.131,1079 0.188,1080 17.803,1081 8.589,1082 13.158,1083 0.728,1084 16.377,1085 2.136,1086 10.202,1087 12.828,1088 0.57,1089 20.366,1090 9.868,1091 3.376,1092 -0.181,1093 18.248,1094 1.938,1095 11.234,1096 14.191,1097 0.125,1098 22.775,1099 10.863,1100 2.82,1101 12.399,1102 20.134,1103 -0.411,1104 12.462,1105 15.794,1106 0.438,1107 25.296,1108 12.059,1109 2.673,1110 9.589,1111 22.03,1112 4.762,1113 13.587,1114 17.263,1115 0.082,1116 27.766,1117 13.148,1118 2.407,1119 8.76,1120 23.935,1121 3.741,1122 14.79,1123 18.832,1124 0.334,1125 30.277,1126 14.318,1127 2.125,1128 7.053,1129 25.848,1130 3.532,1131 15.958,1132 20.349,1133 0.054,1134 32.772,1135 15.451,1136 1.766,1137 5.993,1138 27.767,1139 3.217,1140 17.158,1141 21.909,1142 0.252,1143 35.284,1144 16.617,1145 1.722,1146 4.807,1147 29.692,1148 2.665,1149 18.347,1150 23.448,1151 0.035,1152 37.79,1153 17.771,1154 8467,1155 14086,1156 22.364,1157 32.506,1158 48.789,1159 49.044,1160 49.261,1161 48.594,1162 48.485,1163 64.961,1164 3.32,1165 140.612,1166 45.962,1167 5.791,1168 5.445,1169 6.913,1170 5.441,1171 5.376,1172 7.762,1173 1.72,1174 19.963,1175 5.253,1176 7.065,1177 1.525,1178 1.533,1179 1.539,1180 1.519,1181 1.515,1182 2.03,1183 0.104,1184 4.394,1185 1.436,1186 4.17,1187 4.208,1188 4.149,1189 4.061,1190 8.201,1191 4.077,1192 3.87,1193 3.9,1194 3.815,1195 3.805,1196 5.097,1197 3.802,1198 3.818,1199 3.862,1200 3.749,1201 3.704,1202 4.741,1203 3.711,1204 3.702,1205 3.751,1206 3.597,1207 3.498,1208 4.651,1209 3.514,1210 3.285,1211 3.351,1212 3.224,1213 3.073,1214 4.603,1215 3.101,1216 3.111,1217 3.206,1218 2.936,1219 2.941,1220 4.276,1221 2.91,1222 2.986,1223 3.036,1224 2.866,1225 2.825,1226 3.99,1227 2.845,1228 2.854,1229 2.925,1230 2.739,1231 2.735,1232 3.674,1233 2.715,1234 0.15,1235 0.108,1236 0.222,1237 0.136,1238 0.105,1239 4.791,1240 0.149,1241 3.445,1242 0.027,1243 7.111,1244 0.387,1245 4.337,1246 0.102,1247 3.376,1248 4.762,1249 0.86,1250 12.399,1251 3.253,1252 1.947,1253 1.923,1254 2.042,1255 2.075,1256 1.23,1257 2.054,1258 1.915,1259 1.884,1260 2.003,1261 2.018,1262 1.125,1263 2.021,1264 1.778,1265 1.735,1266 1.931,1267 1.943,1268 1.089,1269 1.946,1270 1.587,1271 1.536,1272 1.724,1273 1.8,1274 0.841,1275 1.783,1276 1.377,1277 1.331,1278 1.513,1279 1.543,1280 0.825,1281 1.533,1282 1.153,1283 1.064,1284 1.498,1285 1.376,1286 0.592,1287 1.429,1288 0.943,1289 0.888,1290 1.181,1291 1.142,1292 0.244,1293 1.134,1294 0.886,1295 0.821,1296 1.181,1297 1.093,1298 0.218,1299 1.107,1300 4.174,1302 5.501,1303 2.398,1304 7.043,1305 4.844,1306 8.68,1307 7.081,1308 10.369,1312 13.44,1315 2.958,1318 5.508,1321 2.245,1326 31.398,1327 74.248,1328 162.483,1329 201.781,1330 222.311,1331 225.066,1332 225.066,1333 36.225,1334 7.915,1335 43.18,1336 43.18,1337 29,1338 12.842,1339 4.524,1340 3.585,1341 37.198,1342 90,1343 108,1344 0.201,1345 187.933,1346 316.22,1347 450.316,1348 27389,1349 2.1,1350 18.924,1351 0.676,1352 0.545,1353 18.054,1354 15.254,1355 13.81,1356 0.432,1357 0.291,1358 9.163,1359 13.228,1360 9.025,1361 7.396,1362 13.416,1363 9.312,1364 12.216,1365 0.271,1366 0.15,1367 11.594,1368 6.751,1369 10.829,1370 0.169,1371 0.079,1372 10.418,1373 5.063,1374 9.51,1375 0.105,1376 0.041,1377 9.358,1378 3.696,1379 8.405,1380 0.067,1381 0.021,1382 8.175,1383 2.646,1384 0.3,1385 86.745,1386 0.211,1387 25.976,1388 0.601,1389 154,1390 476.427,1391 169.479,1392 435.657,1393 604.51,1394 412,1395 186,1396 451.589,1397 202.17,1398 451.439,1399 669.79,1400 427,1401 5.639}
{0 CHEMBL1563483,1 1.544,2 10,3 1.905,4 3.63,5 75.544,6 7.362,8 3.707,9 3.8,10 3.604,11 3.331,12 4.586,13 3.175,14 4.308,15 4.478,16 3.638,17 3.62,18 5.698,19 3.454,20 4.584,21 4.825,22 3.544,23 3.669,24 5.69,25 3.47,26 4.485,27 4.714,28 3.504,29 3.583,30 5.645,31 3.392,32 4.375,33 4.588,34 3.453,35 3.476,36 5.653,37 3.299,38 4.248,39 4.449,40 3.422,41 3.321,42 5.405,43 3.155,44 4.084,45 4.296,46 3.276,47 3.206,48 5.761,49 3.047,50 4.023,51 4.248,52 2.948,53 3.131,54 5.105,55 2.929,56 0.101,57 0.552,58 14.954,59 5.437,60 24.889,61 5.913,62 0.305,63 0.831,64 24.079,65 8.439,66 85.212,67 9.545,68 0.413,69 0.944,70 31.956,71 9.681,72 93.973,73 11.171,74 0.392,75 0.857,76 29.589,77 8.848,78 89.029,79 9.973,80 0.384,81 0.769,82 30.485,83 8.297,84 83.096,85 8.768,86 0.472,87 0.651,88 23.174,89 6.22,90 100.231,91 7.25,92 0.518,93 0.577,94 19.005,95 5.872,96 133.307,97 6.902,98 0.247,99 0.54,100 18.301,101 5.533,102 57.253,103 6.337,104 60,105 22,106 0.281,107 0.473,108 0.634,109 0.671,110 0.671,111 0.671,112 2.956,113 1.687,114 -3.19,115 -3.18,116 -3.05,120 30,121 2,122 4,126 2,136 2,138 2,174 5,176 2,185 2,189 8,201 8,209 2,214 4,222 4,235 4,239 4,247 2,252 4,264 4,271 1,274 392,275 11.259,276 11.259,277 11.259,278 11.259,279 11.259,280 10.315,281 6.305,282 7.063,283 11.851,284 8.304,285 8.304,286 8.304,287 8.304,288 8.304,289 6.614,290 4.29,291 3.212,292 9.237,293 3.778,294 2.726,295 1.838,296 1.638,297 1.638,298 1.638,299 3.555,307 1,308 330,309 4.69,320 1.333,321 35.327,324 1,325 1,326 0.83,327 1,328 1,329 1,330 1,331 0.98,332 40,333 180,334 4.713,335 5.126,336 6.706,337 4.048,338 3.194,339 4.542,340 2.95,341 10.873,342 2.691,343 4.694,344 5.12,345 6.7,346 4.027,347 3.174,348 4.518,349 2.95,350 10.858,351 2.667,352 3.114,353 2.493,354 3.936,355 2.557,356 1.575,357 2.173,359 3.257,360 1.54,361 2.512,362 2.417,363 3.763,364 2.458,365 1.467,366 1.496,368 2.748,369 1.451,370 2.482,371 1.389,372 3.401,373 2.381,374 1.382,375 1.469,377 2.579,378 1.38,379 2.286,380 1.306,381 3.107,382 1.436,383 0.496,384 0.764,386 1.053,387 0.456,388 1.318,389 1.105,390 2.714,391 1.212,392 0.244,393 0.252,395 0.372,396 0.232,397 1.317,398 0.313,399 2.572,400 1.151,401 0.161,402 0.19,404 0.259,405 0.158,406 1,407 0.137,408 2.409,409 0.197,410 -0.693,411 -0.784,413 -1.722,414 -0.589,415 1,416 -0.268,417 2,419 -1,420 -1.078,422 -1.904,423 -0.883,424 0.547,425 -0.304,426 2,428 -1,429 -1.116,431 -1.968,432 -0.886,433 0.181,434 -0.496,435 1.442,436 -0.079,437 -1,438 -1.89,440 -3,441 -1,442 0.101,443 -1,444 1.268,445 -0.08,446 -1,447 -1.892,449 -3,450 -1,451 -0.197,452 -1,453 1.258,454 -0.623,455 -1.476,456 -2,458 -4.454,459 -1.213,460 -0.46,461 -1.492,462 0.407,463 -0.822,464 -1.743,465 -2,467 -4.659,468 -1.62,469 9,470 0.5,471 0.586,472 0.033,473 18.5,474 1.028,475 9,476 0.5,477 9.5,478 0.528,479 15.548,480 0.864,481 22.8,482 0.57,483 12.934,484 0.719,485 2.816,486 0.156,487 5.512,488 0.306,489 0.259,490 0.185,496 0.34,497 1.459,498 0.995,499 1.519,500 0.661,501 1.264,502 0.578,503 1.359,504 1.158,505 1.352,506 0.523,507 1.228,508 1.133,509 0.941,510 1.037,511 0.956,512 1.098,513 0.932,514 1.259,515 0.964,516 1.116,517 1.001,518 1.23,519 0.945,520 1.421,521 1.023,522 1.224,523 1.094,524 1.333,525 0.985,526 1.569,527 0.967,528 0.951,529 0.942,530 1.772,531 1.055,532 0.386,533 1.053,534 0.917,535 1.06,536 0.382,537 0.977,538 1.239,539 1.042,540 1.179,541 1.069,542 1.227,543 1.07,544 5.5,545 0.017,546 2,547 1.125,548 0.72,549 0.167,550 0.367,551 0.156,552 0.123,553 0.1,554 2457,555 7875,556 1.714,557 55,558 10,559 6,560 2,564 4,567 1.581,568 1.565,569 3.262,570 -0.654,575 61.75,576 1.544,577 2.595,578 3.484,579 3.684,580 3.684,581 3.684,582 2.642,583 2.948,584 4.138,585 3.421,586 523.403,587 6.997,588 5338.72,593 212.877,594 1.352,595 4.029,596 0.324,597 0.002,598 0.091,599 0.059,600 0.04,601 0.01,602 0.031,603 0.01,604 0.012,605 0.011,606 0.59,607 0.5,608 1,609 2.642,610 79.534,611 0.195,612 -0.049,613 0.33,614 -0.027,615 -0.135,616 0.017,617 0.243,618 -0.209,619 -0.062,620 -0.18,621 0.303,622 -0.133,623 -0.124,624 0.023,625 -0.038,626 0.024,627 -0.088,628 0.034,629 -0.157,630 0.019,631 -0.061,632 0.019,633 -0.121,634 0.025,635 -0.202,636 -0.018,637 -0.097,638 -0.026,639 -0.098,640 -0.01,641 -0.209,642 -0.003,643 0.012,644 -0.011,645 -0.387,646 -0.122,647 0.64,648 -0.055,649 0.08,650 -0.061,651 0.648,652 0.01,653 -0.182,654 -0.053,655 -0.155,656 -0.06,657 -0.164,658 -0.095,659 4.122,660 4.416,662 14.025,663 1.005,664 1.131,665 1.959,666 3.836,667 0.637,668 2.89,669 3.135,670 2.996,671 2.944,672 2.89,673 2.565,674 2.773,675 2.398,676 2.303,677 2.197,678 5.799,679 0.576,680 294.48,681 2.89,682 4.369,683 5.081,684 5.916,685 6.655,686 7.494,687 8.245,688 9.083,689 9.841,690 10.677,738 40,739 6,741 17,743 39,744 12,748 4,759 2,766 4,768 4,769 8,772 6,776 2,778 4,780 4,789 22,790 4,792 6,793 2,804 4,845 2,857 2,859 2,862 18,865 2,869 6,886 10,889 4,893 11.5,894 7.333,895 4.25,896 2.722,898 1.226,899 1.238,900 0.892,901 8.213,902 6.373,903 3.178,904 3.714,905 3.761,906 3.807,907 4.143,908 4.043,909 4.796,910 4.043,911 3.97,912 3.892,913 0.857,914 19,915 7.026,917 3.118,918 8.324,919 12.742,921 10.083,924 2.824,925 50.833,926 0.001,929 258.964,930 76.315,933 88.626,935 12.092,936 64.223,937 347.59,939 17.65,940 27.62,941 31.044,942 88.626,944 23.542,945 235.422,947 258.964,948 64.223,949 88.626,950 12.092,952 211.88,953 135.71,956 29.588,957 15.683,958 31.044,960 258.964,961 88.626,962 76.315,964 12.092,965 258.964,966 11.938,967 52.286,969 88.626,970 258.964,971 88.626,972 76.315,973 0.556,974 0.267,975 0.116,976 0.066,977 6,978 4,979 0.231,980 9,983 2.946,984 100.004,987 53.059,992 2,993 17.403,994 8.495,995 10.09,997 88.626,1006 423.905,1007 23,1011 -6.41,1013 45.663,1015 4.673,1020 40.182,1021 45.245,1022 0.29,1023 0.488,1024 0.655,1025 0.692,1026 0.692,1027 0.692,1028 4.382,1029 0.161,1030 5.165,1031 0.372,1032 3.807,1033 4.394,1034 3.578,1035 5.984,1036 3.577,1037 5.663,1038 -0.693,1039 6.758,1040 0.259,1041 3.892,1042 4.977,1044 7.609,1045 3.386,1046 7.08,1047 -1,1048 8.493,1049 -1.722,1050 5.58,1051 6.909,1052 5.717,1053 10.348,1054 4.988,1055 8.549,1056 -1,1057 10.306,1058 -1.904,1059 6.399,1060 8.189,1062 12.569,1063 5.53,1064 10.052,1065 -1,1066 12.162,1067 -1.968,1068 7.72,1069 9.8,1070 7.878,1071 15.033,1072 6.736,1073 11.574,1074 -1,1075 14.04,1076 -3,1077 8.77,1078 11.252,1080 17.38,1081 7.555,1082 13.106,1083 -1.476,1084 15.93,1085 -3,1086 9.983,1087 12.79,1088 10.041,1089 19.784,1090 8.625,1091 3.194,1092 -1.743,1093 17.825,1094 -4.454,1095 11.106,1096 14.285,1098 22.16,1099 9.547,1100 3.174,1101 10.873,1102 19.724,1103 -4.659,1104 12.283,1105 15.803,1106 12.204,1107 24.551,1108 10.567,1109 1.575,1110 10.858,1111 21.624,1112 4.542,1113 13.429,1114 17.309,1116 26.934,1117 11.528,1118 1.467,1119 3.257,1120 23.525,1121 4.518,1122 14.594,1123 18.822,1124 14.368,1125 29.321,1126 12.527,1127 1.382,1128 2.748,1129 25.427,1130 2.173,1131 15.748,1132 20.332,1134 31.706,1135 13.503,1136 0.496,1137 2.579,1138 27.329,1139 1.496,1140 16.909,1141 21.843,1142 16.532,1143 34.092,1144 14.494,1145 0.244,1146 1.053,1147 29.232,1148 1.469,1149 18.066,1150 23.353,1152 36.477,1153 15.476,1154 2826,1155 5229,1156 9.704,1157 25.489,1158 23.367,1159 28.196,1160 24.418,1161 23.669,1162 23.384,1163 30.807,1164 11.8,1165 63.996,1166 21.15,1167 5.53,1168 6.683,1169 6.548,1170 5.141,1171 5.151,1172 7.186,1173 5.9,1174 16.603,1175 4.439,1176 12.596,1177 1.375,1178 1.659,1179 1.436,1180 1.392,1181 1.376,1182 1.812,1183 0.694,1184 3.764,1185 1.244,1186 4.067,1187 4.029,1188 4.749,1189 4.088,1190 7.719,1191 3.954,1192 3.965,1193 3.919,1194 4.709,1195 3.986,1196 7.711,1197 3.834,1198 3.588,1199 3.656,1200 3.406,1201 3.46,1202 6.999,1203 3.435,1204 3.532,1205 3.582,1206 3.375,1207 3.398,1208 6.999,1209 3.356,1210 3.269,1211 3.309,1212 3.243,1213 3.152,1214 4.433,1215 3.102,1216 2.95,1217 3.049,1218 2.678,1219 2.75,1220 4.134,1221 2.713,1222 2.873,1223 2.935,1224 2.649,1225 2.649,1226 4.123,1227 2.601,1228 2.539,1229 2.621,1230 2.38,1231 2.328,1232 3.689,1233 2.296,1234 0.277,1235 0.302,1236 0.394,1237 0.238,1238 0.188,1239 4.713,1240 0.267,1241 5.126,1242 0.174,1243 6.706,1244 0.64,1245 4.048,1246 0.158,1247 3.194,1248 4.542,1249 2.95,1250 10.873,1251 2.691,1252 1.922,1253 1.949,1254 1.968,1255 1.99,1256 1.353,1257 2.063,1258 1.828,1259 1.853,1260 1.96,1261 1.93,1262 1.334,1263 1.999,1264 1.607,1265 1.543,1266 1.789,1267 1.769,1268 1.015,1269 1.814,1270 1.505,1271 1.467,1272 1.573,1273 1.664,1274 0.928,1275 1.73,1276 1.236,1277 1.192,1278 1.518,1279 1.428,1280 0.679,1281 1.478,1282 0.977,1283 0.885,1284 1.24,1285 1.225,1286 0.468,1287 1.282,1288 0.807,1289 0.757,1290 1.04,1291 1.083,1292 0.278,1293 1.132,1294 0.531,1295 0.445,1296 0.991,1297 0.824,1298 0.137,1299 0.889,1300 3.555,1302 4.812,1304 6.232,1306 7.726,1308 9.258,1310 3.832,1315 3.075,1326 23.028,1327 61.75,1328 103.818,1329 139.367,1330 147.367,1331 147.367,1332 147.367,1333 124.006,1334 5.147,1335 68.28,1336 85.04,1338 11.264,1339 2.807,1340 2.807,1341 75.15,1342 63,1343 58,1344 0.598,1345 158.271,1346 283.06,1347 377.94,1348 763,1350 14.071,1351 0.782,1352 0.702,1353 14.571,1354 12.635,1355 8.328,1356 0.49,1357 0.562,1358 6.377,1359 6.491,1360 5.844,1361 4.995,1362 10.036,1363 9.56,1364 7.743,1365 0.352,1366 0.369,1367 10.407,1368 8.11,1369 4.371,1370 0.23,1371 0.269,1372 6.078,1373 5.107,1374 2.768,1375 0.154,1376 0.193,1377 4.152,1378 3.472,1379 2.05,1380 0.121,1381 0.136,1382 3.122,1383 2.313,1384 0.964,1385 69.042,1386 0.321,1387 18.809,1388 1.554,1389 78,1390 290.663,1391 151.919,1392 314.433,1393 389.82,1394 278,1395 80,1396 210.449,1397 163.663,1398 273.739,1399 377.5,1400 251,1401 5.517}
{0 CHEMBL1563606,1 1.786,2 10.167,3 4.913,4 24.136,5 90.553,6 9.611,7 0.615,8 3.768,9 3.843,10 3.539,11 3.345,12 4.987,13 3.346,14 4.248,15 4.368,16 3.936,17 3.696,18 5.489,19 3.682,20 4.394,21 4.547,22 4.065,23 3.737,24 5.66,25 3.686,26 4.369,27 4.535,28 3.832,29 3.643,30 5.569,31 3.611,32 4.392,33 4.564,34 3.71,35 3.632,36 5.582,37 3.585,38 4.386,39 4.551,40 3.645,41 3.608,42 5.564,43 3.55,44 4.316,45 4.5,46 3.658,47 3.607,48 5.42,49 3.535,50 4.373,51 4.566,52 3.669,53 3.58,54 5.476,55 3.476,56 0.133,57 0.493,58 4.522,59 3.255,60 10.729,61 3.414,62 0.371,63 0.776,64 10.465,65 5.407,66 25.626,67 6.014,68 0.597,69 0.861,70 21.557,71 6.707,72 42.373,73 7.527,74 0.473,75 0.881,76 17.144,77 5.919,78 39.86,79 6.519,80 0.616,81 0.857,82 19.001,83 6.305,84 52.86,85 6.684,86 0.606,87 0.806,88 18.38,89 6.772,90 54.193,91 7.073,92 0.366,93 0.807,94 14.326,95 6.371,96 30.576,97 7.445,98 0.562,99 0.763,100 20.864,101 7.105,102 45.119,103 7.839,104 18,105 36,106 0.318,107 0.687,108 0.82,109 0.884,110 0.894,111 0.894,112 3.228,113 0.929,114 -4.27,115 -4.21,116 -3.98,120 44.7,121 1,122 1,126 1,143 5,144 1,145 2,147 1,152 1,153 1,154 1,158 1,162 1,174 5,176 1,177 4,180 1,185 4,188 3,189 6,192 1,197 6,200 1,201 5,204 1,206 1,209 3,214 3,217 1,219 2,222 3,226 1,227 6,232 2,235 4,240 5,245 2,247 4,252 3,257 1,260 4,264 4,269 1,271 4,274 852,275 16.162,276 16.162,277 16.162,278 16.162,279 16.162,280 13.907,281 13.151,282 9.441,283 16.533,284 12.738,285 12.738,286 12.738,287 12.738,288 12.738,289 9.41,290 15.124,291 4.384,292 13.509,293 3.462,294 1.389,295 0.641,296 0.283,297 0.23,298 0.23,299 3.904,303 2,306 1,307 1,308 521,309 3.082,312 145.301,313 88.601,320 1.528,321 27.963,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 52.667,333 244,334 4.482,335 3.335,336 6.539,337 4.076,338 3.111,339 4.177,340 1.045,341 10.312,342 3,343 4.217,344 3.294,345 6.05,346 3.747,347 2.83,348 3.871,349 0.391,350 8.693,351 2.648,352 4.039,353 2.852,354 5.95,355 3.653,356 2.675,357 3.555,359 8.319,360 2.562,361 3.594,362 2.601,363 5.232,364 3.167,365 2.24,366 2.93,368 6.46,369 2.018,370 3.42,371 2.383,372 5.036,373 2.981,374 2.02,375 2.717,377 5.731,378 1.868,379 3.006,380 2.134,381 4.353,382 2.557,383 1.592,384 2.185,386 4.063,387 1.531,388 2.82,389 1.685,390 4.043,391 2.306,392 1.414,393 1.949,395 3.526,396 1.199,397 2.455,398 1.259,399 3.91,400 1.967,401 1.036,402 1.411,404 2.821,405 0.958,406 2.246,407 1.089,408 3.259,409 1.758,410 0.792,411 1.123,413 1.899,414 0.759,415 2.118,416 0.779,417 3.186,418 1.714,419 0.745,420 0.927,422 1.521,423 0.714,424 1.89,425 0.736,426 3,427 1.618,428 0.618,429 0.832,431 1.372,432 0.618,433 1.461,434 0.618,435 2.528,436 1.058,437 0.193,438 0.232,440 0.368,441 0.139,442 1.057,443 0.234,444 2.446,445 0.713,446 -0.133,447 -0.152,449 -0.25,450 -0.105,451 0.729,452 -0.114,453 2.371,454 0.289,455 -0.591,456 -0.725,458 -1.519,459 -0.436,460 0.56,461 -0.262,462 2.266,463 0.172,464 -0.724,465 -0.867,467 -1.729,468 -0.599,469 11.729,470 0.489,471 0.592,472 0.025,473 31.75,474 1.323,475 16,476 0.667,477 15.75,478 0.656,479 18.757,480 0.782,481 25.471,482 0.67,483 21.846,484 0.91,485 6.369,486 0.265,487 5.21,488 0.217,489 0.193,491 0.341,496 0.842,497 1.234,498 0.526,499 0.892,500 0.864,501 0.811,502 0.758,503 1.167,504 0.587,505 0.848,506 0.62,507 0.818,508 0.811,509 1.067,510 0.816,511 0.898,512 0.756,513 0.916,514 1.028,515 1.188,516 0.952,517 1.015,518 0.954,519 1.008,520 1.16,521 0.893,522 0.957,523 0.921,524 1.243,525 0.995,526 1.297,527 0.957,528 0.885,529 0.948,530 1.553,531 1.048,532 0.863,533 1.144,534 0.652,535 0.958,536 0.901,537 1.027,538 1.218,539 0.908,540 1.023,541 0.949,542 1.154,543 1.05,544 5,545 0.072,546 3.111,547 1.41,548 1.443,549 0.75,550 0.407,551 0.328,552 0.291,553 0.132,554 6446,555 23834,556 2.04,557 36.8,558 3,559 7,560 1,562 1,563 2,567 1.668,568 1.895,569 3.331,570 -0.26,575 67.877,576 1.786,577 3.859,578 4.607,579 4.965,580 5.018,581 5.018,582 2.757,583 4.418,584 4.558,585 3.487,586 962.302,587 7.861,588 11460.7,590 1,593 199.421,594 1.459,595 4.507,596 0.192,597 0.006,598 0.086,599 0.041,600 0.047,601 0.027,602 0.016,603 0.013,604 0.013,605 0.008,606 0.448,607 0.17,608 1,609 0.813,610 114.74,611 -0.093,612 -0.153,613 0.002,614 -0.044,615 -0.141,616 -0.003,617 0.092,618 -0.101,619 0.085,620 0.032,621 0.095,622 0.05,623 0.151,624 -0.038,625 0.136,626 0.046,627 0.148,628 0.015,629 -0.102,630 -0.081,631 -0.119,632 -0.129,633 -0.065,634 -0.118,635 -0.14,636 0.151,637 -0.162,638 -0.011,639 -0.131,640 -0.075,641 -0.192,642 -0.006,643 -0.129,644 -0.009,645 -0.228,646 -0.098,647 -0.07,648 -0.152,649 0.041,650 -0.034,651 -0.049,652 -0.044,653 -0.177,654 0.009,655 -0.04,656 0.052,657 -0.156,658 -0.024,659 1.948,660 4.019,661 0.667,662 20.125,663 1.027,664 1.116,665 3.042,666 9.252,667 0.722,668 3.296,669 3.611,670 3.871,671 4.078,672 4.174,673 4.234,674 4.248,675 4.277,676 4.29,677 4.205,678 6.096,679 0.698,680 365.23,681 3.296,682 4.828,683 5.673,684 6.541,685 7.403,686 8.274,687 9.142,688 10.015,689 10.886,690 11.761,691 5.3,700 1,701 1,709 6,710 1,712 2,714 7,716 16,719 1,734 1,737 2,738 38,739 17,740 1,741 26,743 40,744 17,745 13,746 3,747 3,748 1,752 3,753 3,754 2,759 1,766 1,768 14,769 3,772 1,781 1,782 1,788 1,789 14,790 5,791 1,792 7,793 2,797 2,803 1,804 3,808 1,822 2,823 1,855 3,859 1,860 2,862 24,868 1,869 2,885 2,886 7.9,888 1,891 2,893 12.667,894 7.219,895 5.361,896 2.302,898 3.202,899 1.471,900 0.956,901 5.286,902 9.995,903 3.584,904 4.205,905 4.783,906 5.33,907 5.664,908 5.98,909 6.259,910 6.585,911 6.884,912 7.058,913 0.857,914 34,915 8.808,917 3.707,918 7.898,919 16.398,921 12.994,924 2.398,925 57.556,929 153.024,930 99.98,931 33.571,932 78.297,933 61.698,936 99.98,937 293.02,938 33.571,939 8.825,940 4.64,941 59.121,942 67.246,943 49.969,944 17.22,945 141.253,946 78.297,947 153.024,948 133.552,949 61.698,950 78.297,952 153.024,953 61.698,956 39.253,957 77.513,958 95.083,960 153.024,961 95.269,962 178.278,965 153.024,966 32.035,967 67.946,969 173.566,970 153.024,971 95.269,972 178.278,973 0.581,974 0.348,975 0.179,976 0.088,977 17,978 8,979 0.125,980 5,982 1,983 3.629,984 188.812,986 16,987 110.039,993 17.082,994 7.426,995 3.854,997 95.269,998 10.265,999 4.279,1001 10.481,1003 2.563,1005 42.683,1006 426.571,1007 35,1016 4.511,1017 0.625,1020 39.018,1021 42.419,1022 0.34,1023 0.735,1024 0.878,1025 0.946,1026 0.956,1027 0.956,1028 4.804,1029 1.036,1030 5.659,1031 3.526,1032 4.29,1033 4.89,1034 1.249,1035 6.457,1036 4.178,1037 6.026,1038 0.792,1039 7.217,1040 2.821,1041 3.892,1042 4.677,1044 7.334,1045 3.658,1046 7.338,1047 0.745,1048 8.873,1049 1.899,1050 5.878,1051 7.096,1052 1.232,1053 10.404,1054 5.681,1055 8.688,1056 0.618,1057 10.585,1058 1.521,1059 6.312,1060 7.727,1062 12.097,1063 6.013,1064 10.067,1065 0.193,1066 12.333,1067 1.372,1068 7.748,1069 9.564,1070 1.283,1071 14.673,1072 7.466,1073 11.467,1074 -0.133,1075 14.104,1076 0.368,1077 8.545,1078 10.582,1080 16.7,1081 8.183,1082 12.883,1083 -0.591,1084 15.892,1085 -0.25,1086 9.774,1087 12.179,1088 1.345,1089 19.105,1090 9.41,1091 3.111,1092 -0.724,1093 17.692,1094 -1.519,1095 10.736,1096 13.387,1098 21.284,1099 10.31,1100 2.83,1101 10.312,1102 19.502,1103 -1.729,1104 11.885,1105 14.878,1106 1.411,1107 23.627,1108 11.442,1109 2.675,1110 8.693,1111 21.32,1112 4.177,1113 12.923,1114 16.182,1116 25.877,1117 12.431,1118 2.24,1119 8.319,1120 23.144,1121 3.871,1122 14.044,1123 17.625,1124 1.477,1125 28.2,1126 13.527,1127 2.02,1128 6.46,1129 24.973,1130 3.555,1131 15.119,1132 18.979,1134 30.485,1135 14.56,1136 1.592,1137 5.731,1138 26.807,1139 2.93,1140 16.231,1141 20.402,1142 1.546,1143 32.803,1144 15.643,1145 1.414,1146 4.063,1147 28.645,1148 2.717,1149 17.325,1150 21.782,1152 35.108,1153 16.699,1154 6285,1155 12232,1156 17.107,1157 27.421,1158 39.188,1159 39.399,1160 40.195,1161 38.868,1162 38.533,1163 51.815,1164 2.871,1165 110.169,1166 36.029,1167 5.215,1168 5.335,1169 6.135,1170 5.117,1171 5.111,1172 7.177,1173 2.089,1174 17.09,1175 5,1176 12.401,1177 1.507,1178 1.515,1179 1.546,1180 1.495,1181 1.482,1182 1.993,1183 0.11,1184 4.237,1185 1.386,1186 4.014,1187 4.025,1188 4.118,1189 3.896,1190 6.482,1191 3.895,1192 3.912,1193 3.925,1194 3.975,1195 3.796,1196 5.169,1197 3.822,1198 3.741,1199 3.763,1200 3.703,1201 3.588,1202 5.041,1203 3.606,1204 3.479,1205 3.525,1206 3.452,1207 3.261,1208 4.865,1209 3.28,1210 3.219,1211 3.288,1212 3.396,1213 3.079,1214 4.537,1215 3.059,1216 2.878,1217 2.921,1218 3.258,1219 2.791,1220 4.488,1221 2.765,1222 2.78,1223 2.83,1224 2.841,1225 2.627,1226 4.188,1227 2.625,1228 2.672,1229 2.699,1230 2.586,1231 2.425,1232 3.863,1233 2.437,1234 0.172,1235 0.128,1236 0.252,1237 0.157,1238 0.12,1239 4.482,1240 0.161,1241 3.335,1242 0.04,1243 6.539,1244 0.397,1245 4.076,1246 0.115,1247 3.111,1248 4.177,1249 1.045,1250 10.312,1251 3,1252 1.904,1253 1.885,1254 1.984,1255 1.982,1256 1.157,1257 1.993,1258 1.673,1259 1.628,1260 1.865,1261 1.826,1262 1.05,1263 1.84,1264 1.53,1265 1.511,1266 1.669,1267 1.715,1268 0.729,1269 1.666,1270 1.343,1271 1.335,1272 1.484,1273 1.586,1274 0.617,1275 1.569,1276 1.261,1277 1.205,1278 1.441,1279 1.51,1280 0.418,1281 1.505,1282 1.145,1283 1.11,1284 1.298,1285 1.371,1286 0.362,1287 1.359,1288 0.867,1289 0.824,1290 1.083,1291 1.114,1292 0.161,1293 1.07,1294 0.764,1295 0.75,1296 1.004,1297 1.011,1298 0.072,1299 1.048,1300 3.97,1302 5.283,1303 3.045,1304 6.774,1305 5.283,1306 8.346,1307 7.286,1308 9.96,1310 1.925,1311 11.914,1314 10.019,1315 0.974,1326 26.53,1327 67.877,1328 146.65,1329 175.057,1330 188.666,1331 190.666,1332 190.666,1333 40.556,1334 6.793,1335 71.76,1336 71.76,1337 16,1338 12.301,1339 4.17,1340 3.322,1341 39.326,1342 86,1343 84,1344 0.219,1345 170.484,1346 290.55,1347 407.741,1348 7341,1349 5.3,1350 17.104,1351 0.713,1352 0.596,1353 18.104,1354 14.304,1355 11.58,1356 0.445,1357 0.31,1358 7.248,1359 10.575,1360 7.021,1361 5.809,1362 12.157,1363 8.05,1364 10.296,1365 0.286,1366 0.162,1367 11.038,1368 5.829,1369 8.829,1370 0.188,1371 0.088,1372 9.744,1373 4.125,1374 6.893,1375 0.119,1376 0.043,1377 7.295,1378 2.505,1379 4.907,1380 0.077,1381 0.024,1382 5.287,1383 1.504,1384 0.345,1385 78.994,1386 0.242,1387 23.556,1388 0.599,1389 124,1390 431.318,1391 168.999,1392 468.803,1393 618.64,1394 436,1395 145,1396 412.322,1397 186.997,1398 430.907,1399 634.82,1400 405,1401 4.7}
{0 CHEMBL1563714,1 2.007,2 6.722,3 1.439,4 2.07,5 69.692,6 10.165,7 0.632,8 3.423,9 3.533,10 3.289,11 2.938,12 4.826,13 2.945,14 3.826,15 3.969,16 3.675,17 3.252,18 5.374,19 3.251,20 3.897,21 4.028,22 3.721,23 3.357,24 5.253,25 3.319,26 3.98,27 4.115,28 3.807,29 3.257,30 5.676,31 3.225,32 3.867,33 4.052,34 3.202,35 3.031,36 5.225,37 3.016,38 3.61,39 3.755,40 3.183,41 2.826,42 5.235,43 2.898,44 3.647,45 3.834,46 2.977,47 2.735,48 5.086,49 2.782,50 3.521,51 3.747,52 2.609,53 2.389,54 5.071,55 2.385,56 0.184,57 0.472,58 2.671,59 1.892,60 13.505,61 1.727,62 0.339,63 0.67,64 7.123,65 3.017,66 50.671,67 2.979,68 0.292,69 0.729,70 7.114,71 3.656,72 29.79,73 2.976,74 0.43,75 0.676,76 12.318,77 4.109,78 56.215,79 3.806,80 0.417,81 0.537,82 14.891,83 3.889,84 55.152,85 3.396,86 0.31,87 0.452,88 3.707,89 1.887,90 33.722,91 1.817,92 0.317,93 0.418,94 5.12,95 1.982,96 36.933,97 1.882,98 0.344,99 0.301,100 5.999,101 1.94,102 38.666,103 2.219,104 18,105 26,106 0.391,107 0.725,108 0.806,109 0.836,110 0.851,111 0.851,112 2.961,113 0.885,114 -2.84,115 -2.85,116 -2.75,120 34.6,121 1,143 1,145 1,147 1,148 3,149 2,164 1,165 1,166 1,167 2,176 3,177 5,179 1,180 1,185 2,188 2,189 1,191 1,192 1,200 5,201 6,203 3,204 3,206 1,209 1,211 1,213 1,214 1,226 4,227 4,229 1,230 1,232 1,237 1,239 1,240 1,251 3,252 3,254 1,255 1,257 1,262 1,274 364,275 11.776,276 11.776,277 11.776,278 11.776,279 11.776,280 9.891,281 10.373,282 6.98,283 12.311,284 9.368,285 9.368,286 9.368,287 9.368,288 9.368,289 6.674,290 8.781,291 3.286,292 10.244,293 2.694,294 0.981,295 0.567,296 0.414,297 0.337,298 0.337,299 3.611,306 1,307 1,308 247,309 2.55,313 115.83,320 1.006,321 25.308,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 41,333 121,334 4.504,335 4.581,336 6.69,337 4.032,338 3.101,339 4.241,340 2.95,341 10.683,342 2.89,343 4.039,344 3.797,345 5.555,346 3.561,347 2.64,348 3.646,349 2.612,350 7.558,351 2.434,352 3.578,353 3.129,354 5.044,355 2.982,356 2.095,357 3.013,359 5.863,360 1.834,361 3.381,362 2.507,363 4.708,364 2.847,365 1.909,366 2.655,368 4.917,369 1.783,370 3.127,371 2.372,372 4.616,373 2.643,374 1.737,375 2.36,377 4.66,378 1.562,379 2.715,380 1.36,381 3.587,382 2.116,383 1.201,384 1.783,386 2.618,387 1.095,388 2.655,389 1.313,390 3.482,391 2.067,392 1.137,393 1.72,395 2.53,396 1.053,397 1.405,398 1,399 2.973,400 0.958,401 0.102,402 0.128,404 0.28,405 0.085,406 1.085,407 0.97,408 2.349,409 0.65,410 -0.254,411 -0.323,413 -0.585,414 -0.23,415 1,416 0.467,417 2.217,418 0.544,419 -0.409,420 -0.514,422 -0.915,423 -0.386,424 0.93,425 -0.025,426 2,427 0.245,428 -0.654,429 -0.864,431 -1.723,432 -0.579,433 0.739,434 -0.133,435 1.759,437 -1,438 -1.561,440 -2,441 -0.999,442 0.284,443 -0.833,444 1.602,445 -0.232,446 -1.123,447 -1.788,449 -3.065,450 -1,451 -0.07,452 -1.075,453 1.285,454 -0.431,455 -1.358,456 -1.962,458 -3.397,459 -1.222,460 -0.142,461 -1.285,462 1.186,463 -0.51,464 -1.456,465 -2,467 -3.629,468 -1.373,469 8.4,470 0.467,471 0.511,472 0.028,473 28.5,474 1.583,475 16,476 0.889,477 12.5,478 0.694,479 9.739,480 0.541,481 19.2,482 0.738,483 18.33,484 1.018,485 5.591,486 0.311,487 2.984,488 0.166,489 0.187,491 0.345,496 0.593,497 1.301,498 0.663,499 0.817,500 0.647,501 0.786,502 0.586,503 1.035,504 0.694,505 0.863,506 0.433,507 0.687,508 0.869,509 1.101,510 1.144,511 1.156,512 0.767,513 0.998,514 0.526,515 1.23,516 1.231,517 1.632,518 0.701,519 1.222,520 1.408,521 1.031,522 1.6,523 1.296,524 1.324,525 1.033,526 1.018,527 0.976,528 0.616,529 0.75,530 1.064,531 0.986,532 1.411,533 1.093,534 0.82,535 0.84,536 1.328,537 1.132,538 1.144,539 0.804,540 0.885,541 0.859,542 1.204,543 1.306,544 4,546 1.778,547 1.813,548 0.876,549 0.528,550 0.304,551 0.253,552 0.082,554 2455,555 10417,556 1.963,557 30.8,559 1,561 2,562 2,563 3,567 1.591,568 1.8,569 2.791,570 0.647,574 1,575 52.172,576 2.007,577 3.719,578 4.133,579 4.287,580 4.364,581 4.364,582 2.108,583 3.837,584 4.146,585 2.927,586 447.787,587 7.054,588 4267.78,589 1,590 1,592 1,593 122.211,594 1.53,595 4.076,596 0.211,598 0.068,599 0.07,600 0.036,601 0.029,602 0.017,603 0.018,604 0.01,606 0.46,607 0.67,608 1,609 0.946,610 75.44,611 0.069,612 -0.142,613 0.03,614 0.096,615 -0.099,616 0.023,617 0.187,618 0.055,619 0.241,620 0.165,621 0.255,622 0.234,623 -0.142,624 0.055,625 -0.091,626 0.001,627 -0.134,628 -0.091,629 0.469,630 -0.167,631 0.106,632 -0.336,633 0.339,634 -0.236,635 -0.364,636 -0.11,637 -0.397,638 -0.163,639 -0.235,640 0.024,641 0.01,642 -0.009,643 -0.118,644 -0.126,645 -0.007,646 -0.22,647 -0.382,648 -0.222,649 -0.196,650 -0.19,651 -0.275,652 -0.259,653 0.023,654 -0.049,655 -0.092,656 -0.18,657 0.017,658 -0.323,659 2.605,660 3.899,661 0.667,662 10.444,663 1.047,664 1.144,665 1.606,666 2.578,667 0.706,668 2.996,669 3.296,670 3.497,671 3.738,672 3.807,673 3.761,674 3.689,675 3.761,676 3.584,677 3.555,678 4.455,679 0.703,680 264.3,681 2.996,682 4.511,683 5.333,684 6.201,685 7.038,686 7.911,687 8.754,688 9.628,689 10.473,690 11.349,691 23.1,695 1,701 4,702 1,709 3,710 4,714 5,716 12,728 1,731 1,738 26,739 14,741 19,743 27,744 9,745 8,752 2,753 2,759 1,768 8,769 1,772 2,775 1,778 2,786 1,789 8,790 7,791 2,792 9,793 1,797 6,803 1,804 2,817 2,823 2,855 2,856 1,857 1,859 1,862 18,863 1,873 1,886 7.7,892 2,893 10,894 5.083,895 4,896 1.292,898 2.512,899 1.416,900 0.947,901 3.579,902 8.557,903 3.332,904 3.951,905 4.443,906 5.007,907 5.417,908 5.509,909 5.703,910 6.069,911 6.234,912 6.572,913 1,914 26,915 6.556,917 2.743,918 8.287,919 11.712,921 8.879,924 2.787,925 50.167,929 70.627,930 77.843,931 105.709,933 50.747,935 32.22,936 45.624,937 121.374,938 105.709,939 14.495,941 42.373,942 90.684,943 22.751,944 4.572,945 79.304,946 50.747,947 70.627,948 151.333,949 50.747,950 32.22,952 70.627,954 50.747,956 28.819,957 49.702,958 72.812,959 32.22,960 70.627,961 156.456,962 77.843,965 70.627,966 42.305,967 41.209,969 150.786,970 70.627,971 156.456,972 77.843,973 0.58,974 0.329,975 0.183,976 0.086,977 12,978 6,979 0.111,980 3,982 1,983 2.946,984 124.031,986 12,987 73.059,989 1,993 12.52,994 5.146,995 2.859,997 150.786,998 4.263,999 15.388,1003 1.008,1005 32.897,1006 304.926,1007 27,1010 -0.605,1013 21.798,1020 27.225,1021 29.744,1022 0.427,1023 0.791,1024 0.879,1025 0.912,1026 0.928,1027 0.928,1028 4.533,1029 0.102,1030 5.323,1031 2.53,1032 3.97,1033 4.635,1034 3.388,1035 6.111,1036 3.799,1037 5.76,1038 -0.254,1039 6.872,1040 0.28,1041 3.611,1042 4.527,1043 2.361,1044 7.013,1045 3.388,1046 7.074,1047 -0.409,1048 8.524,1049 -0.585,1050 5.533,1051 6.852,1052 5.372,1053 10.1,1054 5.202,1055 8.422,1056 -0.654,1057 10.236,1058 -0.915,1059 5.943,1060 7.5,1061 4.506,1062 11.863,1063 5.567,1064 9.797,1065 -1,1066 11.99,1067 -1.723,1068 7.39,1069 9.341,1070 7.439,1071 14.482,1072 6.92,1073 11.194,1074 -1.123,1075 13.773,1076 -2,1077 8.173,1078 10.361,1079 6.556,1080 16.61,1081 7.655,1082 12.607,1083 -1.358,1084 15.581,1085 -3.065,1086 9.422,1087 11.991,1088 9.539,1089 19.065,1090 8.822,1091 3.101,1092 -1.456,1093 17.407,1094 -3.397,1095 10.385,1096 13.205,1097 8.548,1098 21.339,1099 9.729,1100 2.64,1101 10.683,1102 19.248,1103 -3.629,1104 11.553,1105 14.735,1106 11.658,1107 23.737,1108 10.822,1109 2.095,1110 7.558,1111 21.1,1112 4.241,1113 12.601,1114 16.052,1115 10.509,1116 26.069,1117 11.808,1118 1.909,1119 5.863,1120 22.963,1121 3.646,1122 13.738,1123 17.533,1124 13.789,1125 28.446,1126 12.873,1127 1.737,1128 4.917,1129 24.833,1130 3.013,1131 14.826,1132 18.905,1133 12.452,1134 30.8,1135 13.895,1136 1.201,1137 4.66,1138 26.71,1139 2.655,1140 15.952,1141 20.363,1142 15.928,1143 33.171,1144 14.952,1145 1.137,1146 2.618,1147 28.591,1148 2.36,1149 17.059,1150 21.765,1151 14.386,1152 35.534,1153 15.991,1154 2547,1155 5388,1156 12.137,1157 18.352,1158 28.104,1159 31.278,1160 29.521,1161 27.76,1162 27.841,1163 39.09,1164 11.125,1165 78.215,1166 25.474,1167 5.271,1168 6.581,1169 6.248,1170 5.17,1171 5.101,1172 7.241,1173 5.9,1174 17.441,1175 4.768,1176 9.856,1177 1.479,1178 1.646,1179 1.554,1180 1.461,1181 1.465,1182 2.057,1183 0.586,1184 4.117,1185 1.341,1186 3.965,1187 4.001,1188 4.102,1189 3.812,1190 7.815,1191 3.808,1192 3.815,1193 3.865,1194 3.807,1195 3.627,1196 6.999,1197 3.659,1198 3.424,1199 3.464,1200 3.455,1201 2.999,1202 5.178,1203 3.036,1204 3.131,1205 3.221,1206 3.283,1207 2.908,1208 4.98,1209 2.939,1210 2.977,1211 3.097,1212 2.867,1213 2.746,1214 4.686,1215 2.727,1216 2.803,1217 2.862,1218 2.755,1219 2.546,1220 4.044,1221 2.578,1222 2.535,1223 2.592,1224 2.445,1225 2.36,1226 3.854,1227 2.351,1228 2.225,1229 2.311,1230 2.101,1231 1.959,1232 3.653,1233 1.974,1234 0.237,1235 0.241,1236 0.352,1237 0.212,1238 0.163,1239 4.504,1240 0.223,1241 4.581,1242 0.155,1243 6.69,1244 0.562,1245 4.032,1246 0.152,1247 3.101,1248 4.241,1249 2.95,1250 10.683,1251 2.89,1252 1.821,1253 1.791,1254 1.882,1255 2.057,1256 0.949,1257 1.992,1258 1.725,1259 1.678,1260 1.792,1261 1.927,1262 0.795,1263 1.908,1264 1.123,1265 1.059,1266 1.424,1267 1.618,1268 0.448,1269 1.494,1270 1.094,1271 1.033,1272 1.18,1273 1.37,1274 0.021,1275 1.407,1276 0.866,1277 0.778,1278 1.151,1279 1.258,1280 0.002,1281 1.247,1282 0.748,1283 0.662,1284 1.006,1285 0.95,1287 0.988,1288 0.478,1289 0.433,1290 0.522,1291 0.669,1293 0.699,1294 0.121,1295 0.047,1296 0.257,1297 0.411,1299 0.388,1300 3.664,1302 4.963,1304 6.46,1306 8.053,1308 9.693,1310 1.8,1313 5.467,1319 1.047,1326 18.272,1327 52.172,1328 96.702,1329 107.457,1330 111.457,1331 113.457,1332 113.457,1333 31.697,1334 6.045,1335 123.4,1336 148.7,1337 12,1338 11.895,1339 3.907,1340 3.17,1341 30.824,1342 47,1343 42,1344 0.328,1345 121.712,1346 201.35,1347 288.738,1348 2655,1350 13.121,1351 0.729,1352 0.56,1353 13.475,1354 10.087,1355 8.575,1356 0.451,1357 0.295,1358 4.744,1359 7.575,1360 4.558,1361 3.82,1362 8.984,1363 5.607,1364 7.863,1365 0.302,1366 0.165,1367 8.532,1368 4.279,1369 5.887,1370 0.184,1371 0.091,1372 6.628,1373 2.904,1374 5.23,1375 0.128,1376 0.051,1377 6.227,1378 2.11,1379 3.483,1380 0.079,1381 0.028,1382 4.285,1383 1.238,1384 0.493,1385 59.539,1386 0.287,1387 17.801,1388 0.961,1389 90,1390 375.869,1391 130.988,1392 381.347,1393 502.77,1394 350,1395 103,1396 352.812,1397 138.887,1398 366.784,1399 526.19,1400 340,1401 4.913}
{0 CHEMBL1563973,1 1.63,2 9.522,3 2.782,4 7.742,5 91.443,6 7.534,7 0.24,8 3.869,9 3.981,10 3.5,11 3.447,12 4.888,13 3.388,14 4.471,15 4.652,16 3.833,17 3.848,18 5.39,19 3.751,20 4.757,21 4.981,22 4.008,23 4.042,24 5.694,25 3.922,26 4.756,27 4.991,28 3.857,29 3.992,30 5.735,31 3.823,32 4.637,33 4.889,34 3.731,35 3.844,36 5.661,37 3.655,38 4.343,39 4.545,40 3.629,41 3.651,42 5.453,43 3.501,44 4.193,45 4.381,46 3.424,47 3.483,48 5.499,49 3.405,50 4.276,51 4.497,52 3.296,53 3.48,54 5.349,55 3.386,56 0.001,57 0.648,58 9.713,59 4.488,60 6.824,61 5.667,62 0.221,63 1.088,64 22.191,65 7.844,66 16.85,67 10.034,68 0.36,69 1.376,70 30.015,71 10.171,72 35.479,73 13.441,74 0.268,75 1.363,76 30.442,77 10.651,78 45.235,79 13.944,80 0.433,81 1.173,82 32.428,83 10.583,84 55.727,85 12.895,86 0.184,87 0.956,88 26.351,89 8.071,90 32.647,91 9.22,92 0.213,93 0.834,94 17.424,95 5.362,96 51.477,97 6.924,98 0.211,99 0.827,100 15.768,101 5.373,102 35.279,103 7.676,104 6,105 33,106 0.286,107 0.57,108 0.768,109 0.814,110 0.83,111 0.83,112 3.188,113 1.101,114 -2.69,115 -2.71,116 -2.63,120 38.6,122 5,126 5,143 1,144 2,147 1,148 1,159 2,174 7,176 1,177 5,185 8,188 1,189 6,197 9,200 1,201 4,209 6,213 3,214 3,222 4,227 5,235 2,239 2,240 6,251 1,252 5,264 5,274 738,275 15.922,276 15.922,277 15.922,278 15.922,279 15.922,280 14.976,281 18.345,282 9.67,283 16.406,284 12.297,285 12.297,286 12.297,287 12.297,288 12.297,289 10.584,290 15.622,291 4.525,292 13.056,293 3.829,294 2.209,295 1.08,296 0.818,297 0.727,298 0.727,299 3.875,305 1,306 1,307 1,308 470,309 2.915,313 126.231,314 71.515,318 107.954,320 1.369,321 24.232,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 49.5,333 219,334 4.421,335 4.507,336 6.355,337 3.997,338 3.037,339 4.105,340 3.36,341 9.812,342 2.925,343 3.949,344 4.04,345 6.02,346 3.733,347 2.782,348 3.201,349 2.035,350 8.548,351 2.637,352 3.849,353 3.684,354 5.864,355 3.448,356 2.489,357 3.087,358 1.776,359 8.061,360 2.382,361 3.342,362 3.087,363 4.739,364 2.815,365 1.885,366 2.384,367 0.86,368 5.221,369 1.741,370 2.962,371 2.705,372 4.316,373 2.719,374 1.769,375 1.945,376 0.545,377 4.244,378 1.666,379 2.944,380 2.499,381 3.981,382 2.597,383 1.601,384 1.658,386 3.326,387 1.594,388 2.641,389 2.098,390 3.727,391 2.277,392 1.367,393 1.566,395 3.272,396 1.225,397 2.294,398 1.925,399 3.482,400 2,401 1.1,402 1.182,404 2.585,405 0.973,406 2.181,407 1.765,408 3.247,409 1.952,410 1,411 1,413 2.136,414 0.946,415 2,416 1.597,417 3.057,418 1.547,419 0.601,420 0.858,422 1.303,423 0.561,424 1.771,425 1.256,426 2.836,427 1.293,428 0.398,429 0.538,431 0.712,432 0.345,433 1.191,434 0.679,435 2.612,436 0.839,437 -0.131,438 -0.147,440 -0.303,441 -0.124,442 1.024,443 0.218,444 2.329,445 0.785,446 -0.181,447 -0.231,449 -0.365,450 -0.175,451 0.567,452 0.132,453 2.225,454 0.228,455 -0.726,456 -0.757,458 -1.602,459 -0.669,460 0.441,461 -0.186,462 2.05,463 0.184,464 -0.789,465 -0.976,467 -2.094,468 -0.758,469 11.2,470 0.487,471 0.397,472 0.017,473 25.75,474 1.12,475 11,476 0.478,477 14.75,478 0.641,479 21.523,480 0.936,481 25.4,482 0.577,483 16.119,484 0.701,485 4.376,486 0.19,487 6.9,488 0.3,489 0.065,491 0.259,496 0.708,497 1.329,498 0.759,499 1.065,500 0.446,501 1.021,502 1.015,503 1.133,504 1.032,505 1.06,506 0.529,507 0.997,508 0.974,509 0.924,510 0.834,511 0.849,512 0.778,513 0.879,514 0.885,515 1.063,516 1.015,517 1.06,518 1.076,519 1.1,520 0.775,521 0.884,522 1.267,523 1.103,524 1.032,525 0.918,526 1.021,527 1.354,528 1.738,529 1.61,530 1.266,531 1.126,532 1.138,533 1.238,534 1.352,535 1.256,536 1.619,537 1.134,538 1.107,539 1.031,540 0.851,541 0.896,542 1.556,543 1.091,544 3.5,545 0.032,546 2.444,547 1.188,548 1.046,549 0.684,550 0.375,551 0.266,552 0.17,553 0.107,554 5698,555 14472,556 2.093,557 47.7,558 8,559 11,563 2,567 1.657,568 2,569 3.256,570 -0.729,571 1,572 1,574 1,575 71.735,576 1.63,577 3.25,578 4.38,579 4.641,580 4.732,581 4.732,582 2.666,583 4.176,584 4.497,585 3.382,586 855.723,587 7.743,588 9802.7,590 1,592 1,593 240.215,594 1.214,595 4.473,596 0.14,597 0.003,598 0.074,599 0.032,600 0.036,601 0.026,602 0.016,603 0.012,604 0.009,605 0.006,606 0.353,607 0.5,608 1,609 0.7,610 107.706,611 0.001,612 -0.166,613 0.079,614 -0.024,615 0.077,616 -0.005,617 -0.033,618 -0.053,619 -0.022,620 -0.012,621 0.011,622 -0.01,623 -0.018,624 0.085,625 0.119,626 0.127,627 -0.006,628 0.099,629 -0.044,630 -0.067,631 -0.015,632 -0.052,633 -0.045,634 -0.11,635 0.178,636 0.1,637 0.034,638 0.081,639 0.058,640 0.109,641 -0.061,642 -0.229,643 -0.185,644 -0.24,645 -0.048,646 -0.083,647 -0.054,648 -0.081,649 -0.306,650 -0.253,651 0.04,652 -0.203,653 -0.088,654 -0.02,655 -0.162,656 -0.121,657 -0.217,658 -0.178,659 1.57,660 5.254,661 0.739,662 18.265,663 1,664 1.127,665 1.464,666 2.142,667 0.669,668 3.258,669 3.526,670 3.784,671 3.989,672 4.22,673 4.277,674 4.277,675 4.304,676 4.382,677 4.419,678 5.75,679 0.623,680 331.48,681 3.258,682 4.762,683 5.595,684 6.444,685 7.295,686 8.152,687 9.009,688 9.869,689 10.73,690 11.592,691 6.8,698 1,700 1,701 1,709 1,710 1,714 4,716 6,718 1,738 44,739 8,741 25,743 46,744 17,745 5,752 3,753 4,763 5,766 5,767 1,768 6,769 10,772 1,778 1,782 1,785 1,786 1,789 21,790 5,792 6,793 1,797 3,803 0.667,804 2,816 1,823 2,824 1,828 1,839 1,854 1,855 2,856 1,857 1,862 23,869 10,872 1,873 1,875 1,877 1,882 1,884 1,886 4.5,889 1,890 1,893 11.5,894 7.933,895 5.25,896 2.963,898 1.467,899 1.213,900 0.956,901 5.669,902 8.367,903 3.466,904 3.902,905 4.41,906 4.867,907 5.364,908 5.604,909 5.784,910 5.821,911 5.965,912 6.017,913 1,914 37,915 8.569,917 3.608,918 7.725,919 16.721,921 13.879,924 2.225,925 51.167,928 1,929 247.193,930 100.221,931 50.969,933 36.145,935 32.22,936 68.001,937 283.338,938 50.969,940 30.093,941 9.476,942 74.237,943 40.187,944 1.122,945 279.413,947 247.193,948 118.97,949 36.145,950 32.22,952 247.193,953 25.145,954 11,956 63.909,957 38.276,958 16.786,959 32.22,960 247.193,961 87.114,962 100.221,965 247.193,966 74.143,967 12.601,968 16.602,969 83.99,970 247.193,971 87.114,972 100.221,973 0.563,974 0.335,975 0.181,976 0.101,977 15,978 6,979 0.065,980 3,981 1,982 1.118,983 3.563,984 178.112,985 0.118,986 17,987 100.042,989 1,993 16.455,994 7.923,995 4.117,997 87.114,998 1.981,999 4.706,1003 3.63,1006 434.528,1007 31,1013 12.254,1017 0.096,1020 43.989,1021 49.571,1022 0.299,1023 0.595,1024 0.802,1025 0.85,1026 0.867,1027 0.867,1028 4.705,1029 1.1,1030 5.541,1031 3.272,1032 4.205,1033 4.585,1034 3.66,1035 6.301,1036 4.097,1037 5.856,1038 1,1039 7.066,1040 2.585,1041 3.611,1042 4.29,1043 1.668,1044 7.111,1045 3.498,1046 7.134,1047 0.601,1048 8.695,1049 2.136,1050 5.74,1051 6.632,1052 5.702,1053 10.194,1054 5.543,1055 8.445,1056 0.398,1057 10.387,1058 1.303,1059 6.019,1060 7.236,1061 3.583,1062 11.845,1063 5.811,1064 9.794,1065 -0.131,1066 12.121,1067 0.712,1068 7.554,1069 9.03,1070 7.997,1071 14.406,1072 7.278,1073 11.167,1074 -0.181,1075 13.88,1076 -0.303,1077 8.252,1078 10.036,1079 5.95,1080 16.391,1081 7.957,1082 12.558,1083 -0.726,1084 15.658,1085 -0.365,1086 9.531,1087 11.616,1088 10.371,1089 18.764,1090 9.179,1091 3.037,1092 -0.789,1093 17.447,1094 -1.602,1095 10.433,1096 12.818,1097 8.51,1098 20.893,1099 10.054,1100 2.782,1101 9.812,1102 19.245,1103 -2.094,1104 11.6,1105 14.306,1106 12.771,1107 23.194,1108 11.172,1109 2.489,1110 8.548,1111 21.05,1112 4.105,1113 12.599,1114 15.606,1115 11.099,1116 25.391,1117 12.14,1118 1.885,1119 8.061,1120 22.858,1121 3.201,1122 13.718,1123 17.054,1124 15.18,1125 27.667,1126 13.217,1127 1.769,1128 5.221,1129 24.671,1130 3.087,1131 14.765,1132 18.405,1133 13.673,1134 29.898,1135 14.229,1136 1.601,1137 4.244,1138 26.486,1139 2.384,1140 15.866,1141 19.834,1142 17.593,1143 32.166,1144 15.291,1145 1.367,1146 3.326,1147 28.304,1148 1.945,1149 16.936,1150 21.213,1151 16.229,1152 34.415,1153 16.325,1154 5511,1155 8914,1156 16.989,1157 29.426,1158 37.429,1159 42.474,1160 37.169,1161 35.989,1162 36.058,1163 43.048,1164 17.152,1165 98.439,1166 33.993,1167 5.421,1168 6.507,1169 6.157,1170 5.129,1171 5.037,1172 7.105,1173 6.686,1174 16.53,1175 4.892,1176 8.326,1177 1.497,1178 1.699,1179 1.487,1180 1.44,1181 1.442,1182 1.722,1183 0.686,1184 3.938,1185 1.36,1186 3.993,1187 4.027,1188 4.064,1189 3.922,1190 7.427,1191 3.913,1192 3.81,1193 3.861,1194 3.754,1195 3.608,1196 6.82,1197 3.613,1198 3.616,1199 3.665,1200 3.612,1201 3.517,1202 4.784,1203 3.498,1204 3.39,1205 3.416,1206 3.394,1207 3.256,1208 4.614,1209 3.218,1210 3.262,1211 3.342,1212 3.11,1213 3.105,1214 4.094,1215 3.087,1216 3.137,1217 3.206,1218 3.053,1219 2.984,1220 3.853,1221 2.997,1222 3.111,1223 3.196,1224 2.995,1225 2.941,1226 3.804,1227 2.91,1228 2.839,1229 2.89,1230 2.866,1231 2.667,1232 3.561,1233 2.646,1234 0.177,1235 0.18,1236 0.254,1237 0.16,1238 0.121,1239 4.421,1240 0.164,1241 4.507,1242 0.134,1243 6.355,1244 0.392,1245 3.997,1246 0.117,1247 3.037,1248 4.105,1249 3.36,1250 9.812,1251 2.925,1252 1.9,1253 1.877,1254 1.981,1255 1.995,1256 1.323,1257 1.997,1258 1.721,1259 1.669,1260 1.96,1261 1.966,1262 1.232,1263 1.955,1264 1.703,1265 1.64,1266 1.923,1267 1.865,1268 1.2,1269 1.902,1270 1.402,1271 1.37,1272 1.548,1273 1.561,1274 0.848,1275 1.583,1276 1.28,1277 1.24,1278 1.513,1279 1.479,1280 0.825,1281 1.479,1282 1.153,1283 1.064,1284 1.474,1285 1.376,1286 0.647,1287 1.429,1288 0.834,1289 0.769,1290 1.182,1291 1.094,1292 0.43,1293 1.112,1294 0.796,1295 0.717,1296 1.051,1297 1.037,1298 0.231,1299 1.051,1300 3.932,1302 5.209,1304 6.686,1305 2.708,1306 8.255,1307 5.094,1308 9.875,1315 8.389,1318 5.267,1319 1.387,1321 1.825,1324 9.389,1325 2.241,1326 27.422,1327 71.735,1328 143.022,1329 192.705,1330 204.215,1331 208.215,1332 208.215,1333 42.272,1334 6.9,1335 66.22,1336 91.52,1337 19,1338 12.141,1339 3.17,1340 2.807,1341 36.83,1342 78,1343 77,1344 0.227,1345 173.602,1346 307.93,1347 415.349,1348 8902,1350 16.071,1351 0.699,1352 0.61,1353 16.424,1354 14.031,1355 11.275,1356 0.451,1357 0.367,1358 8.171,1359 10.413,1360 7.926,1361 6.491,1362 11.729,1363 9.175,1364 9.511,1365 0.288,1366 0.208,1367 10.062,1368 6.865,1369 8.166,1370 0.19,1371 0.123,1372 8.912,1373 5.308,1374 6.514,1375 0.123,1376 0.073,1377 7.285,1378 3.893,1379 5.37,1380 0.08,1381 0.043,1382 6.133,1383 2.879,1384 0.354,1385 75.106,1386 0.243,1387 22.615,1388 0.628,1389 116,1390 345.267,1391 149.094,1392 349.302,1393 464.8,1394 328,1395 134,1396 308.372,1397 165.3,1398 323.505,1399 472.91,1400 304,1401 5.697}
{0 CHEMBL1564136,1 1.488,2 8.194,3 -1.811,4 3.278,5 100.95,6 7.692,8 4.189,9 4.265,10 3.752,11 3.637,12 5.34,13 3.659,14 4.835,15 4.952,16 4.296,17 4.188,18 5.941,19 4.199,20 5.277,21 5.393,22 4.653,23 4.555,24 6.552,25 4.55,26 5.617,27 5.781,28 4.756,29 4.708,30 6.799,31 4.685,32 5.707,33 5.893,34 4.677,35 4.654,36 6.99,37 4.617,38 5.635,39 5.862,40 4.449,41 4.421,42 6.955,43 4.374,44 5.23,45 5.44,46 4.09,47 4.026,48 6.639,49 3.994,50 4.9,51 5.124,52 3.545,53 3.509,54 6.354,55 3.482,56 0.306,57 0.757,58 12.016,59 6.137,60 48.414,61 6.903,62 0.83,63 1.367,64 25.421,65 11.191,66 117.22,67 13.262,68 1.531,69 2.054,70 39.973,71 16.907,72 235.017,73 20.495,74 2.274,75 2.584,76 62.291,77 21.362,78 322.411,79 27.359,80 2.967,81 2.595,82 72.692,83 21.49,84 427.845,85 28.476,86 3.352,87 2.18,88 74.16,89 18.19,90 456.203,91 25.618,92 2.079,93 1.465,94 47.941,95 12.131,96 303.948,97 16.772,98 1.899,99 0.922,100 37.33,101 7.517,102 278.753,103 10.458,104 103,105 60,106 0.247,107 0.595,108 0.864,109 0.904,110 0.91,111 0.91,112 3.475,113 0.89,114 -0.63,115 -0.75,116 -0.88,120 36.8,121 2,122 2,123 3,124 2,125 1,126 1,128 4,131 1,137 1,139 1,157 1,159 2,174 9,176 2,177 5,182 3,185 13,188 2,189 9,192 4,193 1,194 8,197 13,200 1,201 12,204 4,206 9,209 7,213 1,214 12,217 5,218 1,219 9,222 2,226 4,227 8,230 4,231 1,232 7,235 1,239 2,240 10,243 2,244 1,245 3,252 2,255 3,256 1,257 1,263 3,264 2,268 1,274 1198,275 19.983,276 19.983,277 19.983,278 19.983,279 19.983,280 19.255,281 25.288,282 10.371,283 20.39,284 16.954,285 16.954,286 16.954,287 16.954,288 16.954,289 15.708,290 29.737,291 4.6,292 17.534,293 4.345,294 2.252,295 0.628,296 0.391,297 0.356,298 0.356,299 4.165,307 1,308 550,309 4.301,312 35.09,313 175.726,314 49.246,316 66.875,317 290.425,318 77.52,319 89.585,320 1.205,321 85.232,324 1,325 0.83,326 1,327 0.9,328 1,329 0.83,330 0.5,331 0.87,332 72,333 254,334 5.081,335 4.391,336 8.672,337 5.048,338 4.067,339 4.123,340 2.513,341 18.272,342 3.991,343 4.666,344 3.966,345 8.085,346 4.583,347 3.599,348 3.874,349 2.504,350 15.536,351 3.537,352 4.309,353 3.84,354 7.615,355 4.177,356 3.201,357 3.481,358 1.277,359 13.509,360 3.114,361 4.042,362 3.587,363 6.546,364 3.789,365 2.811,366 3.174,367 0.965,368 9.694,369 2.741,370 3.746,371 3.231,372 6.218,373 3.534,374 2.553,375 2.859,376 0.68,377 8.553,378 2.485,379 3.474,380 3.023,381 5.977,382 3.326,383 2.355,384 2.531,385 0.513,386 7.723,387 2.293,388 3.354,389 2.861,390 5.722,391 3.173,392 2.19,393 2.415,394 0.257,395 7.091,396 2.132,397 3.093,398 2.572,399 5.453,400 2.869,401 1.913,402 2.104,404 6.064,405 1.803,406 2.886,407 2.337,408 5.196,409 2.627,410 1.673,411 1.872,413 4.784,414 1.575,415 2.41,416 2.031,417 4.554,418 2.168,419 1.229,420 1.344,422 3.463,423 1.132,424 1.986,425 1.604,426 4.422,427 1.759,428 0.824,429 0.885,431 2.306,432 0.757,433 1.687,434 1.461,435 4.03,436 1.568,437 0.671,438 0.674,440 1.879,441 0.593,442 1.643,443 1.394,444 3.802,445 1.437,446 0.512,447 0.55,449 1.255,450 0.464,451 1.456,452 1.221,453 3.653,454 1.241,455 0.287,456 0.298,458 0.725,459 0.27,460 1.366,461 0.92,462 3.486,463 1.104,464 0.187,465 0.209,467 0.314,468 0.167,469 13.833,470 0.446,471 1.365,472 0.044,473 26.75,474 0.863,475 6,476 0.194,477 20.75,478 0.669,479 44.884,480 1.448,481 37.167,482 0.652,483 26.711,484 0.862,485 4.772,486 0.154,487 9.707,488 0.313,489 0.277,490 0.108,491 0.434,496 0.856,497 1.213,498 0.771,499 1.18,500 0.787,501 0.986,502 0.774,503 1.021,504 0.721,505 0.999,506 0.631,507 0.869,508 0.7,509 1.245,510 0.875,511 1.247,512 0.675,513 1.146,514 0.93,515 1.198,516 0.996,517 1.196,518 0.895,519 1.133,520 1.05,521 1.123,522 1.1,523 1.127,524 1.062,525 1.131,526 1.089,527 0.779,528 1.009,529 0.781,530 1.044,531 0.851,532 1.138,533 0.983,534 1.07,535 0.98,536 1.265,537 0.997,538 1.527,539 0.606,540 1.258,541 0.608,542 1.633,543 0.795,544 10,545 0.029,546 7.556,547 5.813,548 5.786,549 2.834,550 1.778,551 0.757,552 0.372,553 0.121,554 8972,555 30302,556 2.001,557 45.6,558 7,559 9,562 4,563 2,564 3,565 1,567 1.751,568 1.746,569 2.937,570 1.664,575 84.805,576 1.488,577 3.581,578 5.205,579 5.442,580 5.477,581 5.477,582 2.474,583 4.825,584 4.927,585 3.044,586 1415.55,587 8.689,588 17596.1,593 332.475,594 1.841,595 4.8,596 0.286,597 0.006,598 0.126,599 0.072,600 0.068,601 0.039,602 0.032,603 0.02,604 0.019,605 0.011,606 0.677,607 0.33,608 0.75,609 1.006,610 150.464,611 -0.121,612 0.082,613 0.008,614 0.093,615 -0.101,616 0.097,617 -0.005,618 0.182,619 0.115,620 0.193,621 0.009,622 0.196,623 0.109,624 -0.066,625 -0.025,626 -0.08,627 0.088,628 -0.097,629 -0.033,630 -0.145,631 -0.067,632 -0.145,633 -0.053,634 -0.123,635 -0.051,636 -0.15,637 -0.113,638 -0.155,639 -0.06,640 -0.156,641 -0.009,642 0.085,643 0.053,644 0.091,645 -0.001,646 0.094,647 -0.046,648 -0.096,649 -0.022,650 -0.089,651 -0.054,652 -0.054,653 -0.198,654 0.176,655 -0.115,656 0.17,657 -0.155,658 0.077,659 3.392,660 5.859,661 0.613,662 21.118,663 1.031,664 1.131,665 -0.597,666 0.357,667 0.622,668 3.584,669 4.111,670 4.595,671 5.037,672 5.442,673 5.759,674 6.016,675 6.258,676 6.447,677 6.537,678 4.832,679 0.614,680 438.47,681 3.584,682 5.252,683 6.229,684 7.239,685 8.242,686 9.261,687 10.273,688 11.296,689 12.312,690 13.337,738 57,739 4,741 35,743 61,744 21,748 3,752 5,753 21,759 2,760 2,762 2,763 6,764 4,766 6,768 5,769 16,770 4,772 4,778 3,782 5,789 26,790 10,791 4,792 10,803 0.2,804 10,806 3,810 1,822 1,823 4,824 1,826 1,827 4,828 1,829 1,836 1,841 2,845 1,846 1,853 4,854 1,855 1,859 3,862 31,868 4,869 3,872 3,874 7,876 3,886 17.5,887 3,888 1,889 3,890 1,891 2,893 17.75,894 10.633,895 6.486,896 3.285,898 0.523,899 1.059,900 0.815,901 4.334,902 9.39,903 3.689,904 4.263,905 4.771,906 5.209,907 5.631,908 5.989,909 6.273,910 6.564,911 6.836,912 6.99,913 0.833,914 81,915 12.147,917 6.424,918 8.32,919 21.56,921 20.433,924 2.82,925 87.417,929 258.964,930 60.897,933 279.168,936 60.897,937 538.132,939 28.533,940 9.661,941 128.05,942 148.634,943 25.185,945 258.964,947 258.964,948 60.897,949 279.168,952 211.88,953 187.202,954 139.05,956 27.312,957 33.585,960 258.964,961 279.168,962 60.897,965 258.964,966 32.363,967 28.533,969 279.168,970 258.964,971 279.168,972 60.897,973 0.63,974 0.425,975 0.242,976 0.143,977 36,978 18,979 0.033,980 2,981 6,982 1.526,983 3.514,984 355.13,985 0.632,986 17,987 153.58,993 21.345,994 6.295,995 2.148,997 279.168,1005 170.733,1006 599.029,1007 39,1013 38.082,1017 -2.339,1020 58.76,1021 64.492,1022 0.255,1023 0.614,1024 0.892,1025 0.933,1026 0.939,1027 0.939,1028 5.124,1029 1.913,1030 6.365,1031 7.091,1032 4.796,1033 4.949,1034 3.37,1035 7.486,1036 4.735,1037 6.394,1038 1.673,1039 8.139,1040 6.064,1041 4.977,1042 5.165,1043 2.882,1044 9.228,1045 4.914,1046 7.81,1047 1.229,1048 10.029,1049 4.784,1050 6.772,1051 7.04,1052 4.723,1053 12.483,1054 6.677,1055 9.255,1056 0.824,1057 11.988,1058 3.463,1059 7.715,1060 7.987,1061 5.065,1062 14.999,1063 7.61,1064 10.737,1065 0.671,1066 13.993,1067 2.306,1068 9.148,1069 9.48,1070 6.363,1071 17.937,1072 9.022,1073 12.241,1074 0.512,1075 16.029,1076 1.879,1077 10.362,1078 10.691,1079 7.032,1080 20.695,1081 10.221,1082 13.764,1083 0.287,1084 18.089,1085 1.255,1086 11.722,1087 12.09,1088 8.119,1089 23.571,1090 11.563,1091 4.067,1092 0.187,1093 20.166,1094 0.725,1095 13.033,1096 13.401,1097 8.925,1098 26.407,1099 12.857,1100 3.599,1101 18.272,1102 22.255,1103 0.314,1104 14.389,1105 14.78,1106 9.923,1107 29.279,1108 14.196,1109 3.201,1110 15.536,1111 24.355,1112 4.123,1113 15.738,1114 16.133,1115 10.789,1116 32.144,1117 15.527,1118 2.811,1119 13.509,1120 26.463,1121 3.874,1122 17.103,1123 17.512,1124 11.745,1125 35.022,1126 16.874,1127 2.553,1128 9.694,1129 28.577,1130 3.481,1131 18.469,1132 18.885,1133 12.64,1134 37.902,1135 18.223,1136 2.355,1137 8.553,1138 30.697,1139 3.174,1140 19.843,1141 20.269,1142 13.577,1143 40.787,1144 19.578,1145 2.19,1146 7.723,1147 32.82,1148 2.859,1149 21.22,1150 21.652,1151 14.485,1152 43.674,1153 20.937,1154 8814,1155 16187,1156 21.501,1157 35.443,1158 56.986,1159 60.634,1160 64.003,1161 56.041,1162 56.216,1163 60.867,1164 17.421,1165 202.514,1166 54.174,1167 6.081,1168 6.391,1169 8.211,1170 6.14,1171 6.067,1172 6.712,1173 4.281,1174 27.945,1175 5.991,1176 21.561,1177 1.628,1178 1.732,1179 1.829,1180 1.601,1181 1.606,1182 1.739,1183 0.498,1184 5.786,1185 1.548,1186 4.149,1187 4.165,1188 4.091,1189 4.051,1190 7.437,1191 4.056,1192 3.865,1193 3.878,1194 3.81,1195 3.746,1196 7.43,1197 3.758,1198 3.582,1199 3.584,1200 3.525,1201 3.356,1202 7.427,1203 3.386,1204 3.48,1205 3.501,1206 3.403,1207 3.305,1208 6.494,1209 3.32,1210 3.335,1211 3.371,1212 3.22,1213 3.141,1214 6.459,1215 3.15,1216 3.305,1217 3.359,1218 3.148,1219 3.035,1220 6.442,1221 3.061,1222 3.214,1223 3.245,1224 3.09,1225 2.969,1226 6.4,1227 2.99,1228 3.08,1229 3.151,1230 2.899,1231 2.837,1232 4.665,1233 2.835,1234 0.145,1235 0.125,1236 0.248,1237 0.144,1238 0.116,1239 5.081,1240 0.118,1241 4.391,1242 0.072,1243 8.672,1244 0.522,1245 5.048,1246 0.114,1247 4.067,1248 4.123,1249 2.513,1250 18.272,1251 3.991,1252 2.05,1253 2.029,1254 2.168,1255 2.156,1256 1.657,1257 2.158,1258 1.774,1259 1.76,1260 1.897,1261 1.928,1262 1.282,1263 1.913,1264 1.524,1265 1.512,1266 1.705,1267 1.774,1268 1.027,1269 1.738,1270 1.448,1271 1.417,1272 1.678,1273 1.664,1274 0.887,1275 1.659,1276 1.281,1277 1.238,1278 1.579,1279 1.551,1280 0.769,1281 1.555,1282 1.238,1283 1.184,1284 1.505,1285 1.517,1286 0.704,1287 1.524,1288 1.17,1289 1.115,1290 1.468,1291 1.433,1292 0.579,1293 1.443,1294 1.068,1295 0.989,1296 1.434,1297 1.343,1298 0.537,1299 1.376,1300 4.263,1302 5.74,1303 2.398,1304 7.447,1305 5.043,1306 9.272,1307 7.466,1308 11.165,1310 4.511,1314 43.693,1315 -0.063,1318 16.34,1320 -8.5,1322 -4.308,1326 34.996,1327 84.805,1328 204.103,1329 296.7,1330 310.21,1331 312.21,1332 312.21,1333 112.973,1334 8.866,1335 159.82,1336 159.82,1337 29,1338 13.783,1339 2.322,1340 2.322,1341 42.964,1342 92,1343 95,1344 0.252,1345 203.496,1346 387.4,1347 488.289,1348 77251,1350 22.671,1351 0.731,1352 0.561,1353 22.671,1354 17.401,1355 14.479,1356 0.414,1357 0.297,1358 10.166,1359 13.655,1360 9.913,1361 7.967,1362 14.479,1363 10.381,1364 14.654,1365 0.244,1366 0.165,1367 14.654,1368 9.873,1369 14.479,1370 0.148,1371 0.09,1372 14.479,1373 8.863,1374 12.85,1375 0.084,1376 0.051,1377 12.85,1378 7.764,1379 11.364,1380 0.049,1381 0.027,1382 11.364,1383 6.163,1384 0.362,1385 93.7,1386 0.216,1387 26.952,1388 0.821,1389 190,1390 625.012,1391 216.461,1392 564.215,1393 737.6,1394 522,1395 253,1396 509.121,1397 283.008,1398 503.903,1399 773.54,1400 472,1401 5.994}
{0 CHEMBL1564501,1 1.662,2 11.906,3 5.706,4 32.558,5 122.51,6 7.882,7 0.657,8 4.132,9 4.252,10 3.742,11 3.585,12 5.332,13 3.607,14 4.61,15 4.782,16 4.097,17 3.92,18 5.802,19 3.931,20 4.73,21 4.901,22 4.137,23 4.014,24 5.901,25 4.018,26 4.856,27 5.064,28 4.041,29 4.028,30 5.968,31 3.985,32 4.873,33 5.133,34 4.03,35 3.977,36 5.969,37 3.935,38 4.718,39 4.938,40 4.048,41 3.913,42 5.811,43 3.917,44 4.698,45 4.885,46 4.078,47 3.95,48 5.918,49 3.95,50 4.812,51 5.034,52 4.036,53 4.055,54 5.877,55 4.022,56 0.136,57 0.864,58 10.496,59 4.317,60 11.313,61 5.484,62 0.51,63 1.288,64 19.997,65 7.104,66 35.438,67 9.225,68 0.436,69 1.46,70 21.801,71 6.982,72 29.376,73 9.524,74 0.582,75 1.564,76 26.666,77 8.186,78 44.436,79 11.502,80 0.761,81 1.52,82 30.405,83 7.845,84 68.187,85 12.357,86 0.421,87 1.419,88 23.537,89 6.007,90 34.954,91 9.3,92 0.675,93 1.424,94 21.497,95 5.526,96 44.327,97 8.275,98 0.509,99 1.494,100 26.22,101 7.725,102 40.959,103 11.085,104 30,105 49,106 0.272,107 0.605,108 0.678,109 0.728,110 0.728,111 0.728,112 3.502,113 0.84,114 -5.03,115 -4.93,116 -4.62,120 40,121 2,125 2,143 8,144 1,145 4,148 1,151 3,153 1,167 1,174 5,176 5,177 7,180 5,182 5,185 5,188 2,189 7,192 1,194 5,197 5,200 1,201 12,204 4,205 1,206 1,213 1,214 10,217 6,227 10,232 8,239 4,240 13,243 1,244 2,245 6,252 4,260 12,263 4,267 2,269 4,271 20,274 1854,275 21.651,276 21.651,277 21.651,278 21.651,279 21.651,280 18.791,281 36.048,282 12.536,283 22.459,284 17.123,285 17.123,286 17.123,287 17.123,288 17.123,289 12.781,290 59.914,291 5.844,292 18.304,293 4.119,294 2.082,295 1.632,296 1.328,297 1.328,298 1.328,299 4.196,307 1,308 814,309 3.082,312 91.896,313 334.459,320 1.611,321 28.781,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 70.5,333 381,334 4.569,335 3.379,336 6.73,337 4.144,338 3.2,339 4.313,340 0.86,341 10.826,342 3.023,343 4.197,344 3.001,345 5.975,346 3.762,347 2.834,348 3.819,349 0.86,350 8.596,351 2.639,352 4.048,353 2.894,354 5.634,355 3.632,356 2.672,357 3.644,358 0.4,359 7.583,360 2.565,361 3.986,362 2.828,363 5.551,364 3.532,365 2.583,366 3.589,367 0.4,368 7.53,369 2.435,370 3.579,371 2.603,372 5.369,373 3.201,374 2.279,375 2.892,377 6.9,378 2.101,379 3.567,380 2.553,381 5.223,382 3.2,383 2.275,384 2.863,386 6.606,387 2.097,388 3.365,389 2.213,390 5.033,391 2.944,392 2.009,393 2.655,395 5.966,396 1.871,397 3.157,398 1.978,399 4.81,400 2.696,401 1.773,402 2.398,404 5.222,405 1.63,406 3,407 1.915,408 4.742,409 2.594,410 1.666,411 2.16,413 4.77,414 1.538,415 2.604,416 1.336,417 4.262,418 2.118,419 1.173,420 1.648,422 3.481,423 1.105,424 2.5,425 1.125,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1.113,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 1.751,443 1,444 3.043,445 1.466,446 0.596,447 0.665,449 1.032,450 0.514,451 1.745,452 1,453 3.036,454 1.453,455 0.584,456 0.654,458 0.995,459 0.502,460 1.26,461 0.656,462 2.83,463 1.07,464 0.116,465 0.124,467 0.255,468 0.11,469 14.8,470 0.463,471 0.797,472 0.025,473 46.5,474 1.453,475 24.5,476 0.766,477 22,478 0.688,479 24.273,480 0.759,481 34.4,482 0.625,483 37.099,484 1.159,485 9.513,486 0.297,487 5.948,488 0.186,489 0.158,491 0.365,496 0.967,497 1.441,498 0.754,499 1.157,500 0.996,501 0.951,502 0.912,503 0.906,504 0.708,505 0.855,506 0.644,507 0.778,508 1.131,509 1.353,510 0.99,511 1.108,512 0.91,513 1.025,514 1.078,515 1.233,516 1.166,517 1.176,518 1.194,519 1.186,520 0.788,521 0.887,522 0.827,523 0.688,524 0.978,525 0.732,526 1.079,527 1.361,528 0.872,529 0.886,530 0.924,531 0.812,532 0.971,533 1.149,534 1.121,535 0.91,536 0.773,537 0.984,538 1.096,539 0.891,540 1.01,541 0.788,542 1.059,543 0.833,544 7.5,545 0.273,546 3.111,547 2.451,548 1.588,549 0.91,550 0.977,551 0.547,552 0.552,553 0.384,554 13716,555 39450,556 2.063,557 41.8,558 3,559 14,562 3,563 3,567 1.751,568 1.92,569 3.484,570 0.915,575 91.419,576 1.662,577 3.699,578 4.149,579 4.454,580 4.454,581 4.454,582 2.952,583 4.063,584 4.965,585 3.679,586 1824.73,587 8.725,588 26934.9,593 317.975,594 1.448,595 4.925,596 0.214,597 0.008,598 0.063,599 0.049,600 0.037,601 0.021,602 0.021,603 0.012,604 0.012,605 0.009,606 0.446,607 0.17,608 1,609 0.825,610 167.631,611 -0.079,612 -0.234,613 0.049,614 -0.112,615 -0.173,616 -0.024,617 0.159,618 0.197,619 0.208,620 0.131,621 0.193,622 0.15,623 -0.127,624 -0.213,625 -0.096,626 -0.149,627 -0.042,628 -0.123,629 -0.109,630 -0.16,631 -0.223,632 -0.238,633 -0.181,634 -0.262,635 0.098,636 0.119,637 0.19,638 0.216,639 0.08,640 0.222,641 -0.184,642 -0.256,643 0.079,644 0.014,645 -0.09,646 0.096,647 0.028,648 0.059,649 -0.216,650 -0.036,651 0.098,652 -0.143,653 -0.23,654 0.182,655 -0.067,656 0.164,657 -0.154,658 0.115,659 1.739,660 4.032,661 0.719,662 34.934,663 1.014,664 1.135,665 3.8,666 14.437,667 0.664,668 3.584,669 3.912,670 4.174,671 4.407,672 4.625,673 4.7,674 4.844,675 5.024,676 5.165,677 5.303,678 7.087,679 0.646,680 433.52,681 3.584,682 5.13,683 5.979,684 6.853,685 7.717,686 8.597,687 9.468,688 10.352,689 11.227,690 12.114,691 12.7,699 3,701 4,707 1,709 8,710 4,714 10,715 1,716 23,729 2,734 1,735 2,738 55,739 23,740 2,741 35,743 58,744 22,745 18,746 4,747 8,752 4,753 4,759 2,768 18,769 4,789 23,790 9,791 3,792 10,797 7,803 1,804 3,814 1,822 1,823 3,855 4,859 4,862 32,868 1,871 2,872 2,886 5.5,888 1,891 2,893 16.667,894 11.2,895 7.111,896 2.943,898 3.352,899 1.434,900 0.963,901 6.439,902 11.066,903 3.861,904 4.497,905 5.073,906 5.641,907 6.154,908 6.378,909 6.786,910 7.263,911 7.682,912 8.096,913 1,914 50,915 11.715,917 4.851,918 7.771,919 21.99,921 17.171,924 2.271,925 72.667,929 235.422,930 142.866,931 104.818,933 64.683,936 142.866,937 300.105,938 104.818,939 39.417,941 75.81,942 109.703,943 78.984,944 8.454,945 235.422,947 235.422,948 247.684,949 64.683,952 235.422,953 64.683,956 61.146,957 119.519,958 67.02,960 235.422,961 169.501,962 142.866,965 235.422,966 27.64,967 117.003,968 36.022,969 131.703,970 235.422,971 169.501,972 142.866,973 0.582,974 0.346,975 0.175,976 0.095,977 23,978 11,979 0.121,980 7,982 1,983 4.271,984 292.245,986 23,987 130,993 21.865,994 9.423,995 4.952,997 167.724,998 14.754,999 17.617,1003 5.207,1004 1.477,1005 78.705,1006 547.789,1007 46.5,1020 55.763,1021 62.438,1022 0.288,1023 0.64,1024 0.718,1025 0.77,1026 0.77,1027 0.77,1028 5.092,1029 1.773,1030 5.969,1031 5.966,1032 4.595,1033 5.185,1034 1.526,1035 6.765,1036 4.469,1037 6.315,1038 1.666,1039 7.523,1040 5.222,1041 4.205,1042 5.007,1044 7.603,1045 4.009,1046 7.628,1047 1.173,1048 9.17,1049 4.77,1050 6.188,1051 7.399,1052 1.191,1053 10.679,1054 5.943,1055 8.974,1056 1,1057 10.868,1058 3.481,1059 6.581,1060 7.994,1062 12.319,1063 6.265,1064 10.347,1065 1,1066 12.6,1067 2.275,1068 8.041,1069 9.868,1070 0.969,1071 14.929,1072 7.683,1073 11.74,1074 0.596,1075 14.355,1076 2.275,1077 8.803,1078 10.842,1080 16.951,1081 8.375,1082 13.149,1083 0.584,1084 16.13,1085 1.032,1086 10.054,1087 12.486,1088 0.788,1089 19.402,1090 9.584,1091 3.2,1092 0.116,1093 17.921,1094 0.995,1095 11.002,1096 13.666,1098 21.611,1099 10.465,1100 2.834,1101 10.826,1102 19.727,1103 0.255,1104 12.17,1105 15.199,1106 0.634,1107 24.008,1108 11.587,1109 2.672,1110 8.596,1111 21.545,1112 4.313,1113 13.212,1114 16.493,1116 26.307,1117 12.566,1118 2.583,1119 7.583,1120 23.374,1121 3.819,1122 14.352,1123 17.973,1124 0.504,1125 28.688,1126 13.656,1127 2.279,1128 7.53,1129 25.213,1130 3.644,1131 15.442,1132 19.332,1134 31.029,1135 14.686,1136 2.275,1137 6.9,1138 27.062,1139 3.589,1140 16.576,1141 20.788,1142 0.395,1143 33.407,1144 15.767,1145 2.009,1146 6.606,1147 28.918,1148 2.892,1149 17.692,1150 22.185,1152 35.768,1153 16.824,1154 13229,1155 22628,1156 23.175,1157 36.495,1158 51.936,1159 52.816,1160 54.133,1161 51.595,1162 51.52,1163 68.848,1164 5.04,1165 148.626,1166 48.259,1167 5.362,1168 5.379,1169 6.283,1170 5.244,1171 5.2,1172 7.313,1173 1.72,1174 18.159,1175 5.023,1176 17.229,1177 1.484,1178 1.509,1179 1.547,1180 1.474,1181 1.472,1182 1.967,1183 0.144,1184 4.246,1185 1.379,1186 4.037,1187 4.092,1188 4.013,1189 3.871,1190 6.476,1191 3.891,1192 3.909,1193 3.944,1194 3.86,1195 3.81,1196 5.126,1197 3.812,1198 3.892,1199 3.919,1200 3.835,1201 3.78,1202 4.865,1203 3.8,1204 3.675,1205 3.73,1206 3.646,1207 3.453,1208 4.864,1209 3.499,1210 3.288,1211 3.349,1212 3.162,1213 3.008,1214 4.698,1215 3.034,1216 3.251,1217 3.317,1218 3.095,1219 2.975,1220 4.436,1221 2.991,1222 3.114,1223 3.215,1224 2.904,1225 2.898,1226 4.371,1227 2.876,1228 3.019,1229 3.121,1230 2.836,1231 2.748,1232 4.029,1233 2.753,1234 0.131,1235 0.097,1236 0.192,1237 0.118,1238 0.091,1239 4.569,1240 0.123,1241 3.379,1242 0.025,1243 6.73,1244 0.309,1245 4.144,1246 0.086,1247 3.2,1248 4.313,1249 0.86,1250 10.826,1251 3.023,1252 1.897,1253 1.868,1254 1.996,1255 2.055,1256 1.068,1257 2.028,1258 1.875,1259 1.851,1260 1.983,1261 1.984,1262 1.061,1263 1.984,1264 1.712,1265 1.663,1266 1.859,1267 1.913,1268 1.003,1269 1.887,1270 1.582,1271 1.532,1272 1.671,1273 1.766,1274 0.657,1275 1.767,1276 1.286,1277 1.214,1278 1.574,1279 1.597,1280 0.582,1281 1.568,1282 1.213,1283 1.145,1284 1.572,1285 1.532,1286 0.576,1287 1.542,1288 1.182,1289 1.105,1290 1.537,1291 1.489,1292 0.517,1293 1.507,1294 0.954,1295 0.854,1296 1.181,1297 1.283,1298 0.218,1299 1.293,1300 4.263,1302 5.587,1303 2.398,1304 7.099,1305 4.844,1306 8.689,1307 6.986,1308 10.32,1310 6.838,1314 10.032,1317 6.339,1318 10.404,1326 35.509,1327 91.419,1328 203.445,1329 228.2,1330 244.955,1331 244.955,1332 244.955,1333 45.956,1334 7.715,1335 119.24,1336 119.24,1337 23,1338 12.648,1339 4.585,1340 3.644,1341 51.518,1342 135,1343 154,1344 0.185,1345 219.576,1346 370.45,1347 527.525,1348 22308,1350 22.665,1351 0.708,1352 0.566,1353 22.665,1354 18.119,1355 15.461,1356 0.442,1357 0.28,1358 9.591,1359 14.626,1360 9.259,1361 7.788,1362 15.461,1363 9.804,1364 13.856,1365 0.283,1366 0.142,1367 13.856,1368 6.935,1369 12.011,1370 0.188,1371 0.076,1372 12.011,1373 4.896,1374 9.433,1375 0.116,1376 0.036,1377 9.433,1378 2.938,1379 7.511,1380 0.074,1381 0.018,1382 7.511,1383 1.828,1384 0.288,1385 98.561,1386 0.208,1387 29.815,1388 0.515,1389 168,1390 544.512,1391 191.541,1392 521.556,1393 724.54,1394 490,1395 197,1396 553.949,1397 220.517,1398 558.2,1399 812.2,1400 521,1401 4.652}
{0 CHEMBL1564577,1 2.004,2 10.964,3 1.574,4 2.477,5 112.448,6 9.799,7 0.194,8 3.955,9 4.033,10 3.915,11 3.556,12 5.047,13 3.515,14 4.522,15 4.65,16 4.266,17 3.941,18 5.85,19 3.902,20 4.722,21 4.874,22 4.385,23 4.084,24 5.918,25 4.023,26 4.777,27 4.914,28 4.446,29 4.115,30 6.325,31 4.034,32 4.814,33 4.983,34 4.256,35 4.06,36 6.088,37 3.933,38 4.624,39 4.793,40 4.157,41 3.817,42 5.996,43 3.755,44 4.376,45 4.589,46 3.751,47 3.599,48 5.51,49 3.506,50 4.244,51 4.414,52 3.919,53 3.605,54 5.487,55 3.498,56 0.174,57 0.726,58 7.666,59 4.474,60 20.54,61 4.247,62 0.637,63 1.184,64 18.097,65 7.517,66 59.691,67 7.484,68 0.715,69 1.368,70 24.759,71 9.452,72 59.597,73 9.323,74 0.938,75 1.377,76 29.305,77 11.336,78 113.061,79 11.328,80 0.999,81 1.286,82 46.091,83 12.85,84 121.636,85 11.573,86 0.819,87 1.064,88 31.126,89 9.341,90 82.167,91 9.795,92 0.592,93 0.908,94 19.605,95 6.802,96 49.351,97 7.436,98 0.493,99 0.809,100 20.97,101 6.952,102 50.86,103 6.988,104 26,105 46,106 0.343,107 0.704,108 0.814,109 0.832,110 0.84,111 0.84,112 3.375,113 1.086,114 -2.5,115 -2.52,116 -2.47,120 37.8,121 1,126 4,138 2,139 2,143 3,145 3,159 1,160 1,174 1,176 3,177 4,180 2,182 2,185 2,188 1,189 3,194 1,197 2,200 7,201 9,204 3,206 2,209 2,214 3,217 1,227 13,232 1,235 2,239 2,240 3,247 1,252 3,255 1,260 3,263 3,264 1,271 1,274 1134,275 18.524,276 18.524,277 18.524,278 18.524,279 18.524,280 16.69,281 24.405,282 10.652,283 19.414,284 15.287,285 15.287,286 15.287,287 15.287,288 15.287,289 12.331,290 26.001,291 5.026,292 16.782,293 3.488,294 1.387,295 0.745,296 0.639,297 0.595,298 0.595,299 4.064,303 1,306 1,307 1,308 672,309 3.391,312 72.139,313 265.968,316 124.116,320 1.684,321 45.555,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 62.333,333 307,334 4.949,335 4.778,336 7.531,337 4.44,338 3.517,339 4.757,340 3.66,341 13.458,342 3.222,343 4.332,344 4.541,345 6.493,346 3.953,347 3.024,348 3.931,349 1.188,350 10.065,351 2.799,352 4.26,353 3.462,354 6.456,355 3.848,356 2.938,357 3.664,358 0.86,359 9.953,360 2.68,361 3.678,362 3.338,363 5.665,364 3.343,365 2.404,366 2.942,367 0.8,368 7.409,369 2.247,370 3.544,371 2.893,372 5.308,373 3.094,374 2.15,375 2.774,376 0.769,377 6.508,378 2.026,379 3.398,380 2.732,381 5.174,382 2.932,383 1.996,384 2.536,385 0.354,386 5.964,387 1.835,388 3.14,389 2.486,390 4.891,391 2.81,392 1.89,393 2.241,395 5.31,396 1.698,397 2.786,398 2.303,399 4.032,400 2.367,401 1.493,402 1.849,404 3.514,405 1.248,406 2.771,407 2.154,408 3.853,409 2.038,410 1.126,411 1.664,413 2.645,414 1.013,415 2.286,416 1.945,417 3.632,418 2.027,419 1.111,420 1.269,422 2.557,423 1.004,424 2,425 1.387,426 3.503,427 1.952,428 1,429 1,431 2.136,432 0.946,433 1.889,434 1.256,435 3.347,436 1.628,437 0.775,438 0.814,440 2.111,441 0.643,442 1.482,443 1.125,444 3.247,445 1.074,446 0.128,447 0.151,449 0.347,450 0.115,451 1.35,452 0.639,453 2.968,454 0.911,455 -0.065,456 -0.086,458 -0.174,459 -0.059,460 1,461 0.428,462 2.615,463 0.528,464 -0.339,465 -0.417,467 -0.905,468 -0.248,469 13.814,470 0.493,471 0.893,472 0.032,473 34.75,474 1.241,475 15.5,476 0.554,477 19.25,478 0.688,479 25.447,480 0.909,481 30.586,482 0.68,483 27.628,484 0.987,485 6.587,486 0.235,487 6.778,488 0.242,489 0.16,490 0.06,491 0.311,496 0.638,497 1.468,498 0.671,499 1.11,500 0.613,501 0.886,502 0.84,503 1.117,504 0.768,505 0.852,506 0.559,507 0.784,508 1.056,509 1.06,510 0.86,511 0.892,512 0.958,513 0.874,514 0.727,515 1.011,516 1.019,517 1.123,518 0.889,519 1.046,520 1.504,521 0.853,522 1.314,523 1.002,524 1.714,525 1.084,526 0.976,527 1.146,528 1.012,529 1.156,530 1.036,531 1.108,532 0.987,533 0.836,534 0.753,535 0.649,536 0.902,537 0.805,538 0.725,539 0.961,540 1.096,541 1.095,542 0.768,543 0.935,544 6.5,545 0.165,546 4,547 3.438,548 2.04,549 1.25,550 0.69,551 0.43,552 0.316,553 0.236,554 9800,555 33617,556 2.064,557 37.8,559 11,560 2,562 1,564 3,567 1.71,568 1.898,569 3.384,570 -0.182,572 1,575 90.16,576 2.004,577 4.105,578 4.747,579 4.853,580 4.897,581 4.897,582 2.874,583 4.379,584 4.78,585 3.568,586 1348.54,587 8.307,588 17386.5,590 1,592 1,593 247.133,594 1.656,595 4.716,596 0.21,597 0.008,598 0.087,599 0.072,600 0.042,601 0.034,602 0.02,603 0.017,604 0.012,605 0.01,606 0.51,607 0.33,608 0.88,609 0.616,610 139.683,611 0.003,612 -0.291,613 0.118,614 -0.108,615 -0.109,616 -0.011,617 0.066,618 -0.01,619 0.04,620 0.076,621 0.172,622 0.091,623 -0.131,624 -0.013,625 0.028,626 0.042,627 -0.097,628 0.045,629 0.284,630 0.015,631 -0.012,632 -0.098,633 0.348,634 -0.098,635 -0.335,636 0.055,637 -0.165,638 0.017,639 -0.299,640 -0.085,641 0.09,642 -0.275,643 0.041,644 -0.243,645 0.052,646 -0.112,647 -0.083,648 0.131,649 0.076,650 0.208,651 -0.076,652 0.17,653 0.134,654 0.068,655 0.06,656 -0.003,657 0.085,658 0.084,659 5.049,660 5.876,661 0.75,662 24.393,663 1.031,664 1.123,665 1.266,666 1.603,667 0.718,668 3.466,669 3.85,670 4.143,671 4.454,672 4.575,673 4.682,674 4.754,675 4.868,676 4.779,677 4.86,678 6.427,679 0.685,680 440.97,681 3.466,682 5.043,683 5.916,684 6.832,685 7.716,686 8.637,687 9.526,688 10.449,689 11.341,690 12.265,691 8.9,696 1,697 1,698 1,700 1,709 3,714 3,716 6,732 1,737 1,738 45,739 12,740 1,741 31,743 48,744 17,745 6,746 3,747 3,748 4,752 4,753 5,754 1,759 1,768 12,769 5,772 6,776 1,778 3,780 2,781 1,782 4,786 1,789 17,790 8,791 1,792 11,793 3,797 4,803 0.75,804 4,822 1,823 3,826 1,839 1,845 2,854 1,855 3,856 1,857 2,859 1,860 1,862 28,866 1,869 4,871 1,872 1,873 1,875 2,885 1,886 8.9,889 3,890 1,893 14.75,894 8.41,895 5.958,896 2.552,898 2.29,899 1.303,900 1.004,901 5.462,902 9.837,903 3.714,904 4.324,905 4.814,906 5.377,907 5.719,908 6.038,909 6.282,910 6.658,911 6.643,912 6.827,913 1,914 48,915 10.774,917 5.111,918 8.019,919 19.499,921 16.455,924 2.519,925 70.528,929 188.338,930 124.285,931 39.439,932 39.149,933 80.458,935 38.027,936 86.258,937 307.944,938 39.439,939 8.825,940 33.409,941 34.236,942 105.875,943 28.924,944 24.235,945 197.015,946 39.149,947 188.338,948 125.697,949 80.458,950 77.176,952 153.024,953 104.771,954 11,956 42.131,957 62.854,958 65.669,959 32.22,960 188.338,961 119.897,962 163.434,964 5.807,965 188.338,966 64.335,967 60.391,968 16.405,969 136.392,970 188.338,971 119.897,972 163.434,973 0.598,974 0.357,975 0.203,976 0.096,977 24,978 11,979 0.083,980 4,981 1,982 1.095,983 3.86,984 252.783,985 0.095,986 21,987 128.606,989 1,992 1,993 19.795,994 7.726,995 3.852,997 119.897,998 4.913,1003 1.503,1005 16.405,1006 471.668,1007 40,1011 -4.132,1013 38.392,1015 3.179,1016 4.215,1017 -0.417,1020 46.378,1021 50.521,1022 0.365,1023 0.747,1024 0.864,1025 0.884,1026 0.892,1027 0.892,1028 5.007,1029 1.493,1030 5.958,1031 5.31,1032 4.533,1033 5.011,1034 3.508,1035 6.864,1036 4.361,1037 6.254,1038 1.126,1039 7.583,1040 3.514,1041 4.369,1042 5.156,1043 2.097,1044 8.113,1045 4.111,1046 7.622,1047 1.111,1048 9.321,1049 2.645,1050 6.256,1051 7.295,1052 5.809,1053 11.217,1054 5.924,1055 9.03,1056 1,1057 11.129,1058 2.557,1059 6.899,1060 8.254,1061 4.993,1062 13.292,1063 6.468,1064 10.475,1065 0.775,1066 12.981,1067 2.136,1068 8.323,1069 9.964,1070 8.34,1071 16.006,1072 7.823,1073 11.946,1074 0.128,1075 14.866,1076 2.111,1077 9.306,1078 11.259,1079 7.867,1080 18.394,1081 8.704,1082 13.439,1083 -0.065,1084 16.774,1085 0.347,1086 10.582,1087 12.841,1088 10.891,1089 21.007,1090 9.905,1091 3.517,1092 -0.339,1093 18.701,1094 -0.174,1095 11.707,1096 14.276,1097 10.666,1098 23.517,1099 10.932,1100 3.024,1101 13.458,1102 20.643,1103 -0.905,1104 12.941,1105 15.824,1106 13.447,1107 26.107,1108 12.085,1109 2.938,1110 10.065,1111 22.596,1112 4.757,1113 14.126,1114 17.32,1115 13.415,1116 28.666,1117 13.177,1118 2.404,1119 9.953,1120 24.56,1121 3.931,1122 15.353,1123 18.861,1124 16.005,1125 31.255,1126 14.319,1127 2.15,1128 7.409,1129 26.531,1130 3.664,1131 16.566,1132 20.386,1133 16.132,1134 33.835,1135 15.441,1136 1.996,1137 6.508,1138 28.51,1139 2.942,1140 17.796,1141 21.93,1142 18.565,1143 36.427,1144 16.584,1145 1.89,1146 5.964,1147 30.495,1148 2.774,1149 19.024,1150 23.469,1151 18.825,1152 39.017,1153 17.723,1154 9250,1155 17353,1156 20.285,1157 32.324,1158 47.597,1159 52.637,1160 49.105,1161 47.191,1162 47.103,1163 59.185,1164 15.261,1165 143.951,1166 42.952,1167 5.949,1168 6.778,1169 7.333,1170 5.574,1171 5.517,1172 7.757,1173 7.14,1174 21.526,1175 5.222,1176 14.491,1177 1.535,1178 1.698,1179 1.584,1180 1.522,1181 1.519,1182 1.909,1183 0.492,1184 4.644,1185 1.386,1186 4.093,1187 4.082,1188 4.738,1189 4.051,1190 7.718,1191 3.974,1192 3.916,1193 3.943,1194 4.04,1195 3.833,1196 7.426,1197 3.821,1198 3.731,1199 3.76,1200 4.014,1201 3.638,1202 6.999,1203 3.563,1204 3.625,1205 3.627,1206 3.586,1207 3.47,1208 4.933,1209 3.467,1210 3.323,1211 3.374,1212 3.389,1213 3.195,1214 4.739,1215 3.156,1216 3.111,1217 3.206,1218 3.287,1219 2.941,1220 4.607,1221 2.91,1222 3.015,1223 3.041,1224 3.036,1225 2.809,1226 4.353,1227 2.804,1228 2.923,1229 2.953,1230 2.866,1231 2.77,1232 4.224,1233 2.766,1234 0.16,1235 0.154,1236 0.243,1237 0.143,1238 0.113,1239 4.949,1240 0.153,1241 4.778,1242 0.118,1243 7.531,1244 0.434,1245 4.44,1246 0.104,1247 3.517,1248 4.757,1249 3.66,1250 13.458,1251 3.222,1252 1.94,1253 1.939,1254 2,1255 2.055,1256 1.24,1257 2.065,1258 1.824,1259 1.821,1260 1.846,1261 1.969,1262 1.103,1263 1.973,1264 1.627,1265 1.574,1266 1.812,1267 1.83,1268 0.985,1269 1.83,1270 1.389,1271 1.365,1272 1.544,1273 1.562,1274 0.825,1275 1.577,1276 1.316,1277 1.318,1278 1.513,1279 1.497,1280 0.615,1281 1.539,1282 1.153,1283 1.064,1284 1.293,1285 1.376,1286 0.559,1287 1.429,1288 1.081,1289 1.022,1290 1.163,1291 1.27,1292 0.326,1293 1.31,1294 0.87,1295 0.824,1296 1.08,1297 1.122,1298 0.242,1299 1.116,1300 4.143,1302 5.509,1303 2.398,1304 7.072,1305 4.595,1306 8.73,1307 6.605,1308 10.437,1310 1.504,1311 6.369,1315 2.665,1317 2.439,1318 5.334,1319 1.262,1321 3.301,1326 30.834,1327 90.16,1328 184.715,1329 213.624,1330 218.379,1331 220.379,1332 220.379,1333 63.459,1334 7.546,1335 93.01,1336 129.63,1337 23,1338 12.777,1339 3.7,1340 3.322,1341 42.528,1342 109,1343 110,1344 0.193,1345 197.532,1346 355.23,1347 473.738,1348 19477,1349 2.2,1350 19.889,1351 0.71,1352 0.617,1353 20.992,1354 17.273,1355 13.365,1356 0.431,1357 0.362,1358 8.556,1359 11.251,1360 8.141,1361 6.654,1362 14.929,1363 11.223,1364 12.864,1365 0.28,1366 0.199,1367 15.081,1368 9.158,1369 10.564,1370 0.17,1371 0.113,1372 12.652,1373 6.986,1374 9.8,1375 0.115,1376 0.064,1377 12.327,1378 5.466,1379 6.639,1380 0.069,1381 0.035,1382 8.384,1383 3.357,1384 0.301,1385 100.597,1386 0.222,1387 26.591,1388 0.532,1389 154,1390 534.135,1391 248.187,1392 574.561,1393 762.84,1394 530,1395 185,1396 490.146,1397 284.621,1398 550.99,1399 814.97,1400 515,1401 4.035}
{0 CHEMBL1564801,1 1.899,2 10.857,3 4.278,4 18.3,5 82.672,6 10.283,7 0.414,8 3.841,9 3.919,10 3.605,11 3.278,12 5.248,13 3.365,14 4.402,15 4.509,16 4.127,17 3.6,18 6.441,19 3.715,20 4.616,21 4.753,22 4.181,23 3.676,24 6.559,25 3.786,26 4.617,27 4.769,28 4.061,29 3.601,30 6.371,31 3.7,32 4.506,33 4.671,34 3.968,35 3.572,36 6.134,37 3.661,38 4.555,39 4.733,40 3.97,41 3.54,42 6.185,43 3.667,44 4.554,45 4.696,46 4.196,47 3.428,48 6.842,49 3.61,50 4.407,51 4.599,52 3.928,53 3.216,54 6.569,55 3.363,56 0.641,57 1.101,58 3.143,59 4.11,60 118.651,61 3.07,62 1.749,63 2.102,64 9.333,65 6.625,66 307.562,67 4.955,68 2.227,69 1.937,70 15.044,71 7.598,72 353.794,73 6.186,74 2.148,75 1.355,76 17.857,77 7.202,78 288.763,79 6.473,80 1.612,81 1.634,82 14.799,83 6.865,84 277.838,85 6.212,86 2.058,87 1.832,88 18.323,89 7.702,90 364.306,91 5.871,92 2.528,93 2.363,94 15.677,95 7.087,96 464.546,97 5.096,98 2.189,99 1.887,100 17.845,101 6.043,102 385.357,103 5.474,104 89,105 43,106 0.34,107 0.659,108 0.799,109 0.887,110 0.905,111 0.905,112 3.374,113 0.777,114 -5.57,115 -5.44,116 -5.08,120 42.5,126 1,129 1,132 1,133 1,143 7,144 2,145 3,159 1,174 6,177 3,180 1,182 5,185 6,189 3,194 5,197 4,201 4,204 1,205 1,206 3,209 2,214 3,217 1,219 1,222 4,232 2,235 6,239 1,240 1,245 2,247 6,252 1,260 2,264 2,267 1,274 1268,275 17.341,276 17.341,277 17.341,278 17.341,279 17.341,280 15.76,281 21.129,282 9.792,283 18.057,284 14.229,285 14.229,286 14.229,287 14.229,288 14.229,289 11.803,290 26.178,291 4.575,292 15.564,293 3.423,294 1.643,295 0.86,296 0.369,297 0.269,298 0.269,299 4.027,306 1,307 1,308 613,309 4.848,313 215.743,320 1.867,321 85.868,324 0.75,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.84,332 70,333 304,334 4.562,335 4.473,336 7.255,337 4.271,338 3.393,339 4.07,340 3.825,341 12.277,342 3.023,343 4.329,344 4.189,345 7.204,346 4.181,347 3.323,348 3.913,349 1.51,350 11.922,351 2.92,352 4.315,353 3.603,354 6.395,355 3.955,356 2.966,357 3.331,358 1.51,359 9.672,360 2.814,361 3.817,362 2.95,363 5.649,364 3.451,365 2.534,366 3.108,367 1.058,368 7.627,369 2.305,370 3.504,371 2.738,372 5.313,373 3.137,374 2.219,375 2.724,376 0.86,377 6.717,378 1.994,379 3.258,380 2.691,381 4.77,382 2.829,383 1.839,384 2.486,386 4.973,387 1.801,388 2.861,389 2.382,390 4.396,391 2.392,392 1.421,393 2.015,395 3.475,396 1.377,397 2.586,398 1.579,399 4.117,400 2.202,401 1.414,402 1.619,404 3.181,405 1.109,406 2.548,407 1.543,408 3.785,409 2.114,410 1.164,411 1.514,413 3.054,414 1.075,415 2.43,416 1.311,417 3.567,418 2.042,419 1.041,420 1.425,422 2.57,423 1.03,424 1.835,425 1.2,426 3.244,427 1.546,428 0.701,429 0.771,431 1.651,432 0.582,433 1.233,434 0.592,435 2.888,436 0.918,437 -0.014,438 -0.017,440 -0.036,441 -0.013,442 1.092,443 0.51,444 2.781,445 0.681,446 -0.271,447 -0.338,449 -0.6,450 -0.251,451 0.737,452 0.51,453 2.391,454 0.368,455 -0.601,456 -0.741,458 -1.668,459 -0.571,460 0.63,461 0.51,462 2.248,463 0.157,464 -0.846,465 -1,467 -2,468 -0.7,469 11.9,470 0.425,471 1.171,472 0.042,473 32.75,474 1.17,475 15,476 0.536,477 17.75,478 0.634,479 22.417,480 0.801,481 33.7,482 0.842,483 33.365,484 1.192,485 7.224,486 0.258,487 5.691,488 0.203,489 0.224,490 0.084,491 0.294,492 4,493 3,496 0.681,497 0.901,498 0.556,499 1.069,500 0.701,501 0.891,502 0.666,503 0.814,504 0.676,505 1.054,506 0.626,507 0.997,508 0.772,509 0.79,510 0.888,511 1.042,512 0.733,513 1.085,514 0.816,515 0.811,516 0.973,517 0.92,518 0.831,519 1.035,520 0.863,521 0.866,522 0.904,523 0.997,524 0.939,525 1.024,526 1.296,527 1.188,528 1.174,529 1.01,530 1.322,531 0.95,532 0.92,533 1.089,534 0.909,535 1.071,536 0.929,537 1.032,538 0.858,539 0.846,540 0.875,541 0.946,542 0.872,543 0.947,544 9,545 0.157,546 4.667,547 2.438,548 1.733,549 1.271,550 0.959,551 0.71,552 0.435,553 0.204,554 8541,555 46870,556 1.861,557 30,559 9,560 1,562 2,567 1.712,568 1.663,569 3.368,570 0.388,572 1,575 75.964,576 1.899,577 3.679,578 4.462,579 4.953,580 5.053,581 5.053,582 2.918,583 4.423,584 4.778,585 3.597,586 1359.72,587 8.321,588 18089.1,590 1,592 1,593 212.877,594 1.829,595 4.663,596 0.31,597 0.009,598 0.109,599 0.055,600 0.044,601 0.034,602 0.026,603 0.018,604 0.015,605 0.009,606 0.629,607 0.33,608 0.88,609 1.485,610 140.69,611 -0.07,612 -0.029,613 -0.024,614 0.011,615 -0.108,616 0.04,617 0.197,618 0.207,619 0.058,620 -0.01,621 0.213,622 -0.095,623 0.099,624 0.113,625 -0.024,626 -0.067,627 0.103,628 -0.134,629 0.028,630 -0.048,631 -0.027,632 -0.003,633 -0.04,634 -0.042,635 -0.082,636 -0.08,637 0.008,638 -0.054,639 -0.124,640 -0.001,641 -0.319,642 -0.18,643 -0.167,644 -0.01,645 -0.322,646 0.072,647 0.224,648 0.082,649 0.083,650 -0.072,651 0.245,652 -0.139,653 0.24,654 0.221,655 0.263,656 0.019,657 0.229,658 0.072,659 6.328,660 5.163,661 0.429,662 26.673,663 1.091,664 1.181,665 4.337,666 18.813,667 0.645,668 3.401,669 3.784,670 3.932,671 4.043,672 4.22,673 4.234,674 4.382,675 4.369,676 4.394,677 4.357,678 6.616,679 0.69,680 411.3,681 3.401,682 4.977,683 5.802,684 6.691,685 7.54,686 8.425,687 9.283,688 10.166,689 11.029,690 11.912,691 2.5,698 1,709 7,714 5,716 12,723 1,734 1,735 1,738 40,739 13,740 2,741 29,743 41,744 17,745 12,746 5,747 7,748 1,751 1,752 2,753 2,759 2,761 1,765 1,766 1,768 13,769 4,772 1,778 1,782 1,786 1,787 7,789 12,790 11,791 2,792 11,797 1,803 1,804 3,823 2,855 2,861 7,862 28,868 1,869 1,871 1,872 1,874 1,876 2,885 7,886 7.5,888 1,889 1,891 1,893 16.833,894 6.95,895 5.958,896 2.018,898 2.146,899 1.314,900 0.928,901 6.457,902 8.983,903 3.611,904 4.19,905 4.644,906 5.101,907 5.57,908 5.648,909 5.947,910 6.101,911 6.361,912 6.58,913 1,914 44,915 12.325,917 7.446,918 9.226,919 17.497,921 13.917,924 3.726,925 104.333,929 117.711,930 107.7,931 18.011,933 78.828,934 104.721,936 107.7,937 196.539,938 122.732,940 22.603,941 74.448,942 72.533,943 131.916,944 11.771,945 105.94,946 7.76,947 117.711,948 125.711,949 183.549,952 117.711,953 183.549,955 9.939,956 30.363,957 85.41,960 222.432,961 96.839,962 107.7,965 135.409,966 23.668,967 66.334,968 18.011,969 183.549,970 117.711,971 201.56,972 107.7,973 0.609,974 0.337,975 0.145,976 0.076,977 19,978 11,979 0.122,980 5,982 1,983 3.7,984 230.539,986 12,987 125.851,993 21.841,994 8.278,995 5.529,997 201.56,998 7.169,1003 -3.659,1005 60.694,1006 426.971,1007 36,1013 12.047,1017 -0.927,1020 43.625,1021 47.241,1022 0.357,1023 0.691,1024 0.838,1025 0.931,1026 0.949,1027 0.949,1028 4.898,1029 1.414,1030 5.894,1031 3.475,1032 4.466,1033 4.875,1034 3.517,1035 6.786,1036 4.295,1037 6.154,1038 1.164,1039 7.536,1040 3.181,1041 4.511,1042 4.902,1043 3.903,1044 8.192,1045 4.136,1046 7.503,1047 1.041,1048 9.297,1049 3.054,1050 6.244,1051 7.033,1052 5.523,1053 11.144,1054 5.887,1055 8.885,1056 0.701,1057 11.126,1058 2.57,1059 7.013,1060 7.746,1061 6.69,1062 13.268,1063 6.442,1064 10.294,1065 -0.014,1066 12.997,1067 1.651,1068 8.369,1069 9.481,1070 8.074,1071 15.88,1072 7.78,1073 11.722,1074 -0.271,1075 14.894,1076 -0.036,1077 9.403,1078 10.501,1079 9.388,1080 18.239,1081 8.629,1082 13.164,1083 -0.601,1084 16.811,1085 -0.6,1086 10.646,1087 12.069,1088 10.737,1089 20.76,1090 9.811,1091 3.393,1092 -0.846,1093 18.74,1094 -1.668,1095 11.78,1096 13.249,1097 12.074,1098 23.201,1099 10.788,1100 3.323,1101 12.277,1102 20.68,1103 -2,1104 12.99,1105 14.733,1106 13.417,1107 25.699,1108 11.909,1109 2.966,1110 11.922,1111 22.627,1112 4.07,1113 14.163,1114 16.001,1115 14.758,1116 28.171,1117 12.943,1118 2.534,1119 9.672,1120 24.58,1121 3.913,1122 15.365,1123 17.442,1124 16.1,1125 30.663,1126 14.04,1127 2.219,1128 7.627,1129 26.537,1130 3.331,1131 16.556,1132 18.761,1133 17.441,1134 33.147,1135 15.1,1136 1.839,1137 6.717,1138 28.498,1139 3.108,1140 17.758,1141 20.178,1142 18.783,1143 35.64,1144 16.188,1145 1.421,1146 4.973,1147 30.461,1148 2.724,1149 18.957,1150 21.527,1151 20.124,1152 38.13,1153 17.261,1154 8803,1155 20816,1156 17.394,1157 25.784,1158 44.781,1159 44.404,1160 46.152,1161 44.311,1162 44.031,1163 53.952,1164 17.527,1165 134.238,1166 40.057,1167 5.451,1168 6.473,1169 6.94,1170 5.336,1171 5.393,1172 7.07,1173 5.335,1174 19.782,1175 5.023,1176 20.421,1177 1.544,1178 1.531,1179 1.591,1180 1.528,1181 1.518,1182 1.86,1183 0.604,1184 4.629,1185 1.381,1186 3.991,1187 4.012,1188 3.957,1189 3.893,1190 8.513,1191 3.902,1192 3.886,1193 3.903,1194 3.842,1195 3.809,1196 8.41,1197 3.812,1198 3.683,1199 3.726,1200 3.664,1201 3.411,1202 8.307,1203 3.457,1204 3.394,1205 3.436,1206 3.389,1207 3.126,1208 7.999,1209 3.173,1210 3.239,1211 3.273,1212 3.21,1213 2.973,1214 7.999,1215 3.015,1216 3.04,1217 3.088,1218 2.963,1219 2.757,1220 7.999,1221 2.786,1222 2.938,1223 2.973,1224 2.818,1225 2.745,1226 7.999,1227 2.749,1228 2.793,1229 2.859,1230 2.702,1231 2.554,1232 7.429,1233 2.578,1234 0.157,1235 0.154,1236 0.25,1237 0.147,1238 0.117,1239 4.562,1240 0.14,1241 4.473,1242 0.132,1243 7.255,1244 0.423,1245 4.271,1246 0.104,1247 3.393,1248 4.07,1249 3.825,1250 12.277,1251 3.023,1252 1.924,1253 1.905,1254 2.009,1255 2.042,1256 1.115,1257 2.028,1258 1.863,1259 1.845,1260 1.957,1261 1.964,1262 1.052,1263 1.96,1264 1.514,1265 1.474,1266 1.658,1267 1.808,1268 0.893,1269 1.753,1270 1.224,1271 1.194,1272 1.329,1273 1.525,1274 0.338,1275 1.453,1276 1.066,1277 1.03,1278 1.205,1279 1.377,1280 0.26,1281 1.303,1282 0.89,1283 0.849,1284 1.146,1285 1.244,1286 0.244,1287 1.206,1288 0.883,1289 0.838,1290 1.131,1291 1.146,1292 0.162,1293 1.132,1294 0.744,1295 0.669,1296 1,1297 0.987,1298 0.077,1299 1.006,1300 4.078,1302 5.442,1304 6.984,1306 8.6,1308 10.253,1312 89.551,1314 9.585,1315 -1.961,1317 2.107,1318 4.251,1320 -4.112,1322 -9.717,1326 27.59,1327 75.964,1328 147.168,1329 178.471,1330 198.122,1331 202.122,1332 202.122,1333 119.738,1334 6.837,1335 58.56,1336 58.56,1337 12,1338 12.45,1339 3.807,1340 3,1341 61.814,1342 110,1343 100,1344 0.275,1345 165.732,1346 317.52,1347 396.146,1348 7405,1349 17.5,1350 21.113,1351 0.754,1352 0.491,1353 15.242,1354 13.735,1355 12.915,1356 0.445,1357 0.259,1358 7.245,1359 11.892,1360 7.257,1361 5.872,1362 10.113,1363 7.509,1364 13.232,1365 0.308,1366 0.129,1367 8.697,1368 5.53,1369 9.551,1370 0.191,1371 0.069,1372 6.998,1373 3.431,1374 6.678,1375 0.119,1376 0.037,1377 5.571,1378 2.056,1379 5.161,1380 0.077,1381 0.02,1382 4.064,1383 1.323,1384 0.431,1385 85.44,1386 0.24,1387 26.687,1388 0.762,1389 144,1390 960.731,1391 189.938,1392 720.28,1393 882.63,1394 660,1395 165,1396 561.041,1397 202.654,1398 521.341,1399 797.19,1400 486,1401 4.171}
{0 CHEMBL1565470,1 1.452,2 10.5,3 4.289,4 18.394,5 89.886,6 7.057,7 0.522,8 3.798,9 3.92,10 3.299,11 3.361,12 4.964,13 3.32,14 4.273,15 4.447,16 3.635,17 3.73,18 5.458,19 3.667,20 4.536,21 4.721,22 3.652,23 3.884,24 5.632,25 3.778,26 4.73,27 5.011,28 3.486,29 3.789,30 5.698,31 3.64,32 4.484,33 4.759,34 3.282,35 3.551,36 5.501,37 3.407,38 4.233,39 4.51,40 3.097,41 3.352,42 5.253,43 3.222,44 3.917,45 4.111,46 3.079,47 3.283,48 4.997,49 3.183,50 4.076,51 4.333,52 3.035,53 3.249,54 5.088,55 3.15,56 0.063,57 0.571,58 8.892,59 4.01,60 10.042,61 5.251,62 0.168,63 0.878,64 15.123,65 6.388,66 36.608,67 8.783,68 0.081,69 1.125,70 19.815,71 8.177,72 24.338,73 11.328,74 0.245,75 1.225,76 26.86,77 9.227,78 51.077,79 13.523,80 0.288,81 0.967,82 20.936,83 7.009,84 42.754,85 10.376,86 0.292,87 0.734,88 16.453,89 5.594,90 44.092,91 8.12,92 0.036,93 0.601,94 10.605,95 4.421,96 12.836,97 6.183,98 0.165,99 0.67,100 13.653,101 4.364,102 26.964,103 6.4,104 30,105 32,106 0.256,107 0.582,108 0.682,109 0.766,110 0.777,111 0.777,112 3.145,113 0.925,114 -5.36,115 -5.24,116 -4.9,120 42.9,121 3,124 1,143 8,144 3,145 1,156 1,159 1,168 1,170 1,172 1,174 14,175 1,177 2,180 1,182 3,185 18,186 2,189 6,194 5,197 13,198 1,201 5,206 4,207 1,209 7,210 1,214 3,215 1,217 1,218 1,219 3,222 5,226 1,227 1,230 1,232 1,235 6,240 3,245 1,247 9,248 1,252 1,257 4,260 8,261 2,264 2,269 2,271 6,272 2,274 616,275 14.11,276 14.11,277 14.11,278 14.11,279 14.11,280 12.374,281 13.434,282 8.284,283 14.183,284 11.341,285 11.341,286 11.341,287 11.341,288 11.341,289 8.732,290 10.033,291 3.917,292 11.45,293 3.94,294 2.091,295 1.525,296 1.049,297 0.983,298 0.983,299 3.802,306 1,307 1,308 472,309 3.742,313 163.26,320 1.682,321 18.072,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 47,333 231,334 4.44,335 3.578,336 7.111,337 4.313,338 3.313,339 3.847,340 1.437,341 11.657,342 3.313,343 4.195,344 3.538,345 5.975,346 3.813,347 2.817,348 3.791,350 8.464,351 2.796,352 3.876,353 2.698,354 5.36,355 3.495,356 2.502,357 3.239,359 7.017,360 2.485,361 3.624,362 2.532,363 5.232,364 3.262,365 2.281,366 2.933,368 6.515,369 2.226,370 3.066,371 1.922,372 4.585,373 2.656,374 1.664,375 2.185,377 4.716,378 1.651,379 2.855,380 1.723,381 3.798,382 2.405,383 1.41,384 1.954,386 3.137,387 1.393,388 2.595,389 1.363,390 3.442,391 2.012,392 1.039,393 1.504,395 2.362,396 1.008,397 2.53,398 1.164,399 3.414,400 2.005,401 1,402 1.5,404 2.316,405 1,406 2.5,407 1,408 3.401,409 2,410 1,411 1.474,413 2.275,414 0.994,415 1.348,416 0.436,417 2.851,418 1.042,419 0.062,420 0.077,422 0.153,423 0.061,424 0.926,425 0.219,426 2.542,427 0.492,428 -0.487,429 -0.646,431 -1.154,432 -0.475,433 0.734,434 -0.303,435 2,436 0.261,437 -0.748,438 -0.984,440 -1.831,441 -0.735,442 0.5,443 -0.64,444 2,445 0.066,446 -0.929,447 -1,449 -2,450 -0.92,451 0.498,452 -0.853,453 2,455 -1,456 -1,458 -2.431,459 -0.981,460 0.407,461 -1,462 2,464 -1,465 -1.228,467 -3,468 -1,469 10.467,470 0.476,471 0.727,472 0.033,473 28,474 1.273,475 15.5,476 0.705,477 12.5,478 0.568,479 16.649,480 0.757,481 23.733,482 0.565,483 19.545,484 0.888,485 5.559,486 0.253,487 4.801,488 0.218,489 0.207,490 0.048,491 0.239,496 0.75,497 1.018,498 0.871,499 1.003,500 0.773,501 0.963,502 0.462,503 1.027,504 0.763,505 0.942,506 0.367,507 0.896,508 0.72,509 1.43,510 1.153,511 1.387,512 0.643,513 1.336,514 0.868,515 1.035,516 0.908,517 0.951,518 0.817,519 0.934,520 0.765,521 1.002,522 0.947,523 0.96,524 0.743,525 0.969,526 0.858,527 0.654,528 0.834,529 0.659,530 0.858,531 0.73,532 0.562,533 1.345,534 0.999,535 1.273,536 0.507,537 1.206,538 1.143,539 0.825,540 1.007,541 0.767,542 0.944,543 0.828,544 6,545 0.12,546 2.667,547 1.25,548 0.804,549 0.771,550 0.284,551 0.156,552 0.205,553 0.192,554 5195,555 13587,556 1.933,557 47.6,558 9,559 8,561 1,562 2,567 1.636,568 1.772,569 3.359,570 0.259,572 1,575 60.98,576 1.452,577 3.302,578 3.868,579 4.344,580 4.409,581 4.409,582 2.738,583 3.607,584 4.434,585 3.568,586 824.147,587 7.569,588 9657.71,590 1,592 1,593 226.477,594 1.674,595 4.355,596 0.261,597 0.009,598 0.083,599 0.042,600 0.034,601 0.041,602 0.017,603 0.009,604 0.013,605 0.013,606 0.52,607 0.33,608 1,609 1.003,610 104.199,611 0.003,612 0.142,613 0.008,614 0.068,615 -0.108,616 0.039,617 0.211,618 0.056,619 0.139,620 0.105,621 0.273,622 0.113,623 -0.047,624 -0.366,625 -0.252,626 -0.365,627 -0.012,628 -0.342,629 -0.008,630 -0.096,631 0.083,632 -0.008,633 -0.006,634 0.04,635 0.133,636 -0.031,637 0.047,638 -0.03,639 0.05,640 -0.009,641 0.126,642 0.294,643 0.173,644 0.285,645 0.082,646 0.24,647 0.013,648 -0.292,649 -0.101,650 -0.245,651 0.017,652 -0.2,653 -0.16,654 0.222,655 -0.011,656 0.151,657 -0.117,658 0.11,659 2.62,660 3.895,661 0.545,662 18.909,663 0.995,664 1.123,665 4.127,666 17.032,667 0.661,668 3.178,669 3.497,670 3.611,671 3.714,672 3.871,673 3.85,674 3.807,675 3.584,676 3.689,677 3.85,678 6.493,679 0.624,680 296.4,681 3.178,682 4.71,683 5.509,684 6.365,685 7.183,686 8.036,687 8.86,688 9.712,689 10.538,690 11.389,691 4.8,696 1,700 1,709 8,714 4,716 12,725 1,738 42,739 14,740 2,741 23,743 43,744 18,745 12,746 4,747 8,748 2,752 2,753 2,755 1,759 3,760 1,768 14,769 4,772 2,778 1,780 1,781 1,782 1,786 1,789 20,790 4,791 2,792 4,797 2,803 1,804 2,823 2,853 1,855 2,859 3,862 22,868 1,871 1,876 1,886 4.8,888 1,889 1,893 12.417,894 8.317,895 4.778,896 2.34,898 2.872,899 1.449,900 0.909,901 4.865,902 9.273,903 3.466,904 4.025,905 4.505,906 4.98,907 5.477,908 5.583,909 5.862,910 5.799,911 6.188,912 6.673,913 0.857,914 30,915 8.076,917 3.297,918 7.867,919 15.249,921 11.992,924 2.367,925 52.083,928 1,929 211.88,930 124.556,931 34.551,933 67.828,936 124.556,937 279.708,938 34.551,939 26.476,941 75.81,942 107.445,943 28.976,945 200.109,947 211.88,948 159.108,949 67.828,952 211.88,953 67.828,956 43.139,957 89.033,958 26.936,960 211.88,961 102.38,962 124.556,965 211.88,966 13.223,967 111.333,968 17.888,969 84.491,970 211.88,971 102.38,972 124.556,973 0.59,974 0.314,975 0.143,976 0.076,977 14,978 7,979 0.116,980 5,982 1,983 3.439,984 154.832,986 12,987 87.353,993 16.091,994 6.651,995 4.614,997 102.38,998 14.744,1003 3.124,1005 60.572,1006 438.816,1007 31,1013 10.895,1015 1.708,1016 4.136,1017 -0.953,1020 41.811,1021 47.152,1022 0.269,1023 0.612,1024 0.717,1025 0.806,1026 0.818,1027 0.818,1028 4.691,1029 1,1030 5.541,1031 2.362,1032 4.174,1033 4.71,1034 1.635,1035 6.34,1036 4.158,1037 5.92,1038 1,1039 7.114,1040 2.316,1041 4.007,1042 4.511,1044 7.538,1045 3.992,1046 7.232,1047 0.062,1048 8.804,1049 2.275,1050 5.832,1051 6.843,1052 2.253,1053 10.45,1054 5.806,1055 8.577,1056 -0.487,1057 10.567,1058 0.153,1059 6.431,1060 7.359,1062 12.451,1063 6.412,1064 9.95,1065 -0.748,1066 12.377,1067 -1.154,1068 7.824,1069 9.231,1070 2.922,1071 15.007,1072 7.798,1073 11.343,1074 -0.929,1075 14.22,1076 -1.831,1077 8.746,1078 10.09,1080 17.297,1081 8.726,1082 12.752,1083 -1,1084 16.088,1085 -2,1086 9.989,1087 11.737,1088 3.619,1089 19.768,1090 9.965,1091 3.313,1092 -1,1093 17.975,1094 -2.431,1095 11.053,1096 12.786,1098 22.161,1099 11.034,1100 2.817,1101 11.657,1102 19.877,1103 -3,1104 12.246,1105 14.308,1106 4.33,1107 24.615,1108 12.226,1109 2.502,1110 8.464,1111 21.79,1112 3.847,1113 13.374,1114 15.468,1116 27.046,1117 13.358,1118 2.281,1119 7.017,1120 23.713,1121 3.791,1122 14.555,1123 16.917,1124 5.047,1125 29.498,1126 14.539,1127 1.664,1128 6.515,1129 25.643,1130 3.239,1131 15.714,1132 18.146,1134 31.943,1135 15.7,1136 1.41,1137 4.716,1138 27.579,1139 2.933,1140 16.894,1141 19.552,1142 5.769,1143 34.396,1144 16.882,1145 1.039,1146 3.137,1147 29.519,1148 2.185,1149 18.069,1150 20.823,1152 36.847,1153 18.058,1154 5281,1155 8737,1156 14.504,1157 27.773,1158 35.1,1159 35.353,1160 34.687,1161 34.18,1162 34.176,1163 45.008,1164 2.873,1165 97.224,1166 33.855,1167 5.158,1168 5.578,1169 6.69,1170 5.313,1171 5.313,1172 6.847,1173 2.873,1174 18.533,1175 5.313,1176 13.508,1177 1.526,1178 1.537,1179 1.508,1180 1.486,1181 1.486,1182 1.957,1183 0.125,1184 4.227,1185 1.472,1186 3.99,1187 4.022,1188 3.928,1189 3.926,1190 7.475,1191 3.921,1192 3.912,1193 3.937,1194 3.856,1195 3.843,1196 6.351,1197 3.843,1198 3.611,1199 3.671,1200 3.487,1201 3.496,1202 4.894,1203 3.483,1204 3.342,1205 3.388,1206 3.282,1207 3.078,1208 4.704,1209 3.121,1210 3.194,1211 3.223,1212 3.099,1213 2.963,1214 4.487,1215 2.987,1216 2.874,1217 3.009,1218 2.733,1219 2.74,1220 4.191,1221 2.731,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 3.688,1227 2.715,1228 2.865,1229 2.931,1230 2.499,1231 2.618,1232 3.674,1233 2.57,1234 0.193,1235 0.156,1236 0.309,1237 0.188,1238 0.144,1239 4.44,1240 0.167,1241 3.578,1242 0.062,1243 7.111,1244 0.507,1245 4.313,1246 0.144,1247 3.313,1248 3.847,1249 1.437,1250 11.657,1251 3.313,1252 1.966,1253 1.938,1254 2.093,1255 2.051,1256 1.286,1257 2.064,1258 1.898,1259 1.875,1260 1.999,1261 1.996,1262 1.083,1263 1.998,1264 1.622,1265 1.566,1266 1.847,1267 1.776,1268 0.956,1269 1.802,1270 1.209,1271 1.165,1272 1.417,1273 1.511,1274 0.469,1275 1.466,1276 1.084,1277 1.05,1278 1.417,1279 1.37,1280 0.469,1281 1.325,1282 0.934,1283 0.821,1284 1.371,1285 1.239,1286 0.331,1287 1.308,1288 0.934,1289 0.812,1290 1.243,1291 1.239,1292 0.228,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.85,1302 5.165,1304 6.658,1306 8.226,1308 9.83,1310 6.521,1314 8.938,1317 2.839,1322 0.13,1326 26.214,1327 60.98,1328 138.664,1329 162.438,1330 182.438,1331 185.193,1332 185.193,1333 42.163,1334 6.402,1335 61.69,1336 61.69,1337 12,1338 11.951,1339 3.907,1340 3.17,1341 42.7,1342 88,1343 62,1344 0.241,1345 166.808,1346 291.9,1347 398.771,1348 4683,1350 16.165,1351 0.735,1352 0.591,1353 16.165,1354 12.999,1355 10.359,1356 0.45,1357 0.308,1358 7.03,1359 10.076,1360 6.689,1361 5.698,1362 10.359,1363 7.091,1364 10.051,1365 0.314,1366 0.191,1367 10.051,1368 6.128,1369 7.062,1370 0.196,1371 0.091,1372 7.062,1373 3.294,1374 5.213,1375 0.13,1376 0.049,1377 5.213,1378 1.972,1379 3.969,1380 0.084,1381 0.025,1382 3.969,1383 1.196,1384 0.39,1385 64.264,1386 0.263,1387 22.268,1388 0.623,1389 110,1390 307.863,1391 117.537,1392 306.097,1393 408.6,1394 282,1395 123,1396 294.766,1397 129.736,1398 305.673,1399 431.69,1400 283,1401 6.796}
{0 CHEMBL1565623,1 1.624,2 9.348,3 4.432,4 19.643,5 96.336,6 8.137,7 0.458,8 3.815,9 3.922,10 3.496,11 3.471,12 4.914,13 3.388,14 4.344,15 4.511,16 3.907,17 3.868,18 5.411,19 3.763,20 4.559,21 4.704,22 3.942,23 3.991,24 5.774,25 3.869,26 4.753,27 4.995,28 3.92,29 3.99,30 5.806,31 3.842,32 4.589,33 4.805,34 3.894,35 3.898,36 5.672,37 3.746,38 4.501,39 4.723,40 3.751,41 3.766,42 5.686,43 3.62,44 4.28,45 4.445,46 3.623,47 3.592,48 5.595,49 3.476,50 4.312,51 4.524,52 3.359,53 3.505,54 5.475,55 3.352,56 0.01,57 0.554,58 8.449,59 4.316,60 6.382,61 5.433,62 0.14,63 0.907,64 19.652,65 7.703,66 22.883,67 9.74,68 0.235,69 1.127,70 25.059,71 9.671,72 41.563,73 11.343,74 0.3,75 1.279,76 31.769,77 11.642,78 49.45,79 14.802,80 0.186,81 1.104,82 29.351,83 10.138,84 36.791,85 12.256,86 0.289,87 0.978,88 25.252,89 9.081,90 67.533,91 11.099,92 0.246,93 0.765,94 20.341,95 7.01,96 50.169,97 8.093,98 0.303,99 0.733,100 22.252,101 7.15,102 64.319,103 8.485,104 56,105 35,106 0.286,107 0.605,108 0.727,109 0.758,110 0.758,111 0.758,112 3.188,113 1.086,114 -4.86,115 -4.77,116 -4.48,120 41.9,121 4,124 1,126 1,143 5,144 3,153 1,154 1,158 1,159 1,174 11,177 2,180 1,182 2,185 19,189 4,194 2,197 15,201 5,204 1,206 2,209 12,214 3,219 2,222 11,226 1,227 3,232 2,235 7,240 6,245 1,247 9,252 2,257 1,260 7,264 1,269 3,271 6,274 735,275 14.566,276 14.566,277 14.566,278 14.566,279 14.566,280 13.05,281 17.713,282 8.272,283 14.841,284 11.74,285 11.74,286 11.74,287 11.74,288 11.74,289 9.264,290 20.869,291 3.838,292 12.211,293 3.802,294 1.983,295 1.294,296 1.117,297 1.117,298 1.117,299 3.837,300 1,306 1,307 1,308 433,309 4.062,312 72.786,313 78.858,320 1.524,321 24.487,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48.833,333 215,334 4.508,335 3.669,336 7.111,337 4.317,338 3.317,339 4.151,340 2.092,341 11.659,342 3.317,343 4.411,344 3.584,345 6.643,346 4.102,347 3.125,348 3.827,349 0.466,350 10.607,351 3.074,352 3.951,353 3.525,354 5.809,355 3.558,356 2.595,357 3.336,359 7.977,360 2.47,361 3.613,362 2.818,363 5.047,364 3.256,365 2.279,366 2.813,368 6.042,369 2.201,370 3.303,371 2.173,372 4.855,373 2.9,374 1.931,375 2.53,377 5.384,378 1.85,379 3.01,380 2.076,381 4.63,382 2.626,383 1.659,384 2.137,386 4.727,387 1.584,388 2.703,389 1.896,390 4.383,391 2.261,392 1.314,393 1.75,395 3.893,396 1.218,397 2.5,398 1.494,399 3.554,400 2,401 1,402 1.5,404 2.275,405 1,406 2.224,407 1.264,408 3.414,409 1.629,410 0.615,411 0.943,413 1.64,414 0.608,415 1.5,416 1,417 2.847,418 1.024,419 0.358,420 0.386,422 0.509,423 0.192,424 1.056,425 0.427,426 2.736,427 0.585,428 -0.345,429 -0.438,431 -0.836,432 -0.293,433 0.919,434 -0.156,435 2.248,436 0.506,437 -0.515,438 -0.681,440 -1.223,441 -0.523,442 0.5,443 -0.247,444 2,445 0.221,446 -0.773,447 -0.949,449 -1.885,450 -0.765,451 0.488,452 -0.419,453 2,455 -1,456 -1,458 -2.847,459 -1,460 0.251,461 -0.815,462 2,464 -1,465 -1,467 -3,468 -1,469 11.614,470 0.505,471 0.867,472 0.038,473 26.75,474 1.163,475 13.5,476 0.587,477 13.25,478 0.576,479 22.434,480 0.975,481 24.986,482 0.581,483 18.711,484 0.814,485 4.795,486 0.208,487 5.924,488 0.258,489 0.291,490 0.043,491 0.301,496 0.571,497 1.073,498 0.667,499 0.875,500 0.569,501 0.914,502 0.571,503 0.896,504 0.766,505 0.834,506 0.555,507 0.783,508 0.841,509 1.344,510 1.084,511 1.359,512 0.913,513 1.26,514 0.687,515 0.919,516 0.62,517 0.855,518 0.841,519 0.866,520 0.878,521 1.047,522 0.731,523 0.943,524 0.954,525 0.957,526 0.945,527 0.941,528 0.817,529 0.859,530 0.975,531 0.866,532 1.424,533 1.149,534 1.134,535 1.148,536 1.499,537 1.142,538 1.844,539 0.819,540 1.144,541 0.815,542 2.005,543 0.984,544 7,545 0.112,546 3.333,547 2.194,548 1.267,549 1.077,550 0.634,551 0.324,552 0.256,553 0.235,554 4879,555 14769,556 1.888,557 46.5,558 9,559 7,562 1,563 3,567 1.659,568 1.693,569 3.2,570 -0.326,572 1,575 69.832,576 1.624,577 3.443,578 4.132,579 4.309,580 4.309,581 4.309,582 2.703,583 3.882,584 4.492,585 3.379,586 854.933,587 7.745,588 9704.56,590 1,592 1,593 233.329,594 1.771,595 4.392,596 0.292,597 0.012,598 0.095,599 0.065,600 0.04,601 0.037,602 0.024,603 0.015,604 0.015,605 0.016,606 0.61,607 0.33,608 1,609 1.419,610 107.395,611 -0.024,612 0.031,613 0.03,614 0.057,615 -0.07,616 0.034,617 0.115,618 0.148,619 0.127,620 0.155,621 0.065,622 0.2,623 0.046,624 -0.265,625 -0.199,626 -0.331,627 0.017,628 -0.308,629 0.129,630 0.036,631 0.164,632 0.065,633 0.04,634 0.113,635 -0.003,636 -0.048,637 0.12,638 0.026,639 -0.032,640 0.013,641 0.102,642 0.03,643 0.101,644 0.103,645 0.139,646 0.103,647 -0.05,648 -0.168,649 -0.13,650 -0.191,651 -0.005,652 -0.209,653 -0.324,654 0.068,655 -0.147,656 0.073,657 -0.307,658 -0.046,659 1.981,660 5.734,661 0.478,662 19.86,663 1,664 1.115,665 3.635,666 13.211,667 0.698,668 3.219,669 3.584,670 3.761,671 3.951,672 4.094,673 4.19,674 4.234,675 4.06,676 4.127,677 4.174,678 5.694,679 0.645,680 349.91,681 3.219,682 4.779,683 5.609,684 6.5,685 7.356,686 8.248,687 9.113,688 10.006,689 10.877,690 11.768,691 2.3,698 1,709 5,713 1,714 5,716 11,721 1,738 43,739 13,740 1,741 24,743 44,744 18,745 10,746 2,747 4,748 1,750 1,752 2,753 2,754 1,759 5,760 1,768 12,769 6,772 2,778 2,782 2,786 1,789 20,790 3,791 1,792 5,793 2,797 1,803 1,804 2,822 1,823 1,838 1,855 2,857 1,859 4,860 1,862 23,869 1,871 1,876 1,880 1,885 1,886 4.7,889 2,893 13.583,894 9.06,895 5,896 2.46,898 2.141,899 1.328,900 0.93,901 5.509,902 8.66,903 3.481,904 4.073,905 4.586,906 5.106,907 5.498,908 5.759,909 6.039,910 6.05,911 6.41,912 6.69,913 1,914 34,915 8.527,917 3.562,918 7.885,919 16.117,921 12.969,924 2.385,925 54.861,928 1,929 223.651,930 138.492,931 18.011,932 39.149,933 50.29,935 31.278,936 107.214,937 313.089,938 18.011,939 35.301,940 20.86,941 47.381,942 60.128,943 10.486,944 1.358,945 294.077,947 223.651,948 125.225,949 50.29,950 70.426,952 223.651,953 50.29,956 57.091,957 68.134,958 39.149,959 31.278,960 223.651,961 68.301,962 177.641,965 223.651,966 55.81,967 82.682,968 18.011,969 89.438,970 223.651,971 68.301,972 177.641,973 0.598,974 0.332,975 0.157,976 0.085,977 16,978 9,979 0.091,980 4,982 1,983 3.325,984 175.809,986 11,987 95.287,989 1,993 17.995,994 7.041,995 4.346,997 68.301,998 9.424,1002 1.377,1003 3.806,1005 18.011,1006 469.592,1007 31.5,1013 24.243,1017 -0.412,1020 42.993,1021 47.933,1022 0.299,1023 0.635,1024 0.762,1025 0.794,1026 0.794,1027 0.794,1028 4.743,1029 1,1030 5.673,1031 3.893,1032 4.263,1033 4.758,1034 2.216,1035 6.538,1036 4.202,1037 5.994,1038 0.615,1039 7.288,1040 2.275,1041 4.205,1042 4.758,1043 1.593,1044 7.771,1045 4.169,1046 7.335,1047 0.358,1048 9.013,1049 1.64,1050 5.979,1051 6.943,1052 3.353,1053 10.756,1054 5.894,1055 8.709,1056 -0.345,1057 10.801,1058 0.509,1059 6.661,1060 7.676,1061 3.32,1062 12.746,1063 6.599,1064 10.11,1065 -0.515,1066 12.629,1067 -0.836,1068 8.024,1069 9.415,1070 4.672,1071 15.349,1072 7.937,1073 11.531,1074 -0.773,1075 14.485,1076 -1.223,1077 8.999,1078 10.479,1079 4.943,1080 17.614,1081 8.926,1082 12.967,1083 -1,1084 16.362,1085 -1.885,1086 10.23,1087 12.034,1088 6.06,1089 20.1,1090 10.147,1091 3.317,1092 -1,1093 18.254,1094 -2.847,1095 11.324,1096 13.261,1097 6.506,1098 22.468,1099 11.248,1100 3.125,1101 11.659,1102 20.157,1103 -3,1104 12.514,1105 14.734,1106 7.482,1107 24.918,1108 12.434,1109 2.595,1110 10.607,1111 22.069,1112 4.151,1113 13.656,1114 16.045,1115 8.035,1116 27.325,1117 13.579,1118 2.279,1119 7.977,1120 23.989,1121 3.827,1122 14.835,1123 17.481,1124 8.923,1125 29.764,1126 14.757,1127 1.931,1128 6.042,1129 25.914,1130 3.336,1131 15.998,1132 18.836,1133 9.544,1134 32.189,1135 15.922,1136 1.659,1137 5.384,1138 27.843,1139 2.813,1140 17.175,1141 20.255,1142 10.377,1143 34.627,1144 17.1,1145 1.314,1146 4.727,1147 29.776,1148 2.53,1149 18.348,1150 21.633,1151 11.04,1152 37.06,1153 18.274,1154 5097,1155 9072,1156 14.622,1157 30.034,1158 37.196,1159 39.416,1160 38.394,1161 36.177,1162 36.386,1163 46.749,1164 5.117,1165 109.426,1166 35.027,1167 5.337,1168 5.669,1169 6.662,1170 5.427,1171 5.317,1172 7.151,1173 3.76,1174 18.888,1175 5.317,1176 15.897,1177 1.55,1178 1.642,1179 1.6,1180 1.507,1181 1.516,1182 1.948,1183 0.213,1184 4.559,1185 1.459,1186 4.023,1187 4.039,1188 4.262,1189 4.002,1190 7.431,1191 3.97,1192 3.871,1193 3.889,1194 3.896,1195 3.86,1196 7.425,1197 3.816,1198 3.591,1199 3.641,1200 3.793,1201 3.482,1202 4.734,1203 3.465,1204 3.522,1205 3.552,1206 3.482,1207 3.339,1208 4.669,1209 3.346,1210 3.169,1211 3.222,1212 3.12,1213 3.004,1214 4.588,1215 3,1216 2.912,1217 3.009,1218 3.079,1219 2.75,1220 4.214,1221 2.718,1222 2.874,1223 3.009,1224 2.755,1225 2.735,1226 3.868,1227 2.715,1228 2.874,1229 2.958,1230 2.687,1231 2.618,1232 3.674,1233 2.57,1234 0.188,1235 0.153,1236 0.296,1237 0.18,1238 0.138,1239 4.508,1240 0.173,1241 3.669,1242 0.087,1243 7.111,1244 0.486,1245 4.317,1246 0.138,1247 3.317,1248 4.151,1249 2.092,1250 11.659,1251 3.317,1252 1.97,1253 1.947,1254 2.092,1255 2.047,1256 1.288,1257 2.062,1258 1.676,1259 1.644,1260 1.858,1261 1.82,1262 0.986,1263 1.829,1264 1.544,1265 1.523,1266 1.738,1267 1.728,1268 0.877,1269 1.724,1270 1.527,1271 1.483,1272 1.619,1273 1.654,1274 0.789,1275 1.701,1276 1.294,1277 1.276,1278 1.429,1279 1.435,1280 0.632,1281 1.456,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.807,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.886,1295 0.804,1296 1.181,1297 1.069,1298 0.218,1299 1.107,1300 3.892,1302 5.242,1303 2.398,1304 6.763,1305 4.727,1306 8.357,1307 6.804,1308 9.993,1310 8.296,1311 5.525,1315 -0.134,1317 2.694,1322 0.042,1326 27.734,1327 69.832,1328 148.052,1329 177.681,1330 185.29,1331 185.29,1332 185.29,1333 57.764,1334 6.519,1335 46.17,1336 74.41,1337 11,1338 12.3,1339 3.807,1340 3.087,1341 45.236,1342 77,1343 76,1344 0.293,1345 182.405,1346 317.26,1347 436.827,1348 4792,1349 2.3,1350 17.198,1351 0.748,1352 0.664,1353 18.052,1354 15.269,1355 10.719,1356 0.447,1357 0.362,1358 7.405,1359 9.718,1360 6.858,1361 5.792,1362 11.48,1363 8.687,1364 10.586,1365 0.302,1366 0.227,1367 11.519,1368 7.962,1369 7.803,1370 0.186,1371 0.112,1372 8.822,1373 4.696,1374 5.904,1375 0.116,1376 0.063,1377 6.823,1378 3.205,1379 4.36,1380 0.074,1381 0.035,1382 5.172,1383 2.068,1384 0.453,1385 73.846,1386 0.262,1387 22.426,1388 0.821,1389 118,1390 340.868,1391 162.167,1392 382.026,1393 498.15,1394 354,1395 136,1396 312.7,1397 170.809,1398 345.22,1399 499.96,1400 320,1401 5.112}
{0 CHEMBL1565883,1 1.573,2 9.467,3 5.246,4 27.523,5 114.892,6 8.414,7 0.794,8 3.989,9 4.093,10 3.676,11 3.577,12 5.202,13 3.581,14 4.459,15 4.589,16 4.031,17 3.942,18 5.632,19 3.941,20 4.637,21 4.804,22 4.078,23 4.011,24 5.823,25 3.998,26 4.685,27 4.867,28 4.088,29 3.979,30 5.943,31 3.974,32 4.642,33 4.827,34 4.042,35 3.975,36 5.838,37 3.963,38 4.632,39 4.79,40 4.088,41 3.988,42 5.887,43 3.987,44 4.671,45 4.835,46 4.068,47 4.022,48 5.924,49 4.007,50 4.719,51 4.904,52 3.992,53 4.05,54 5.869,55 4.003,56 0.1,57 0.718,58 7.166,59 3.832,60 7.181,61 4.417,62 0.213,63 1.116,64 13.311,65 6.075,66 15.262,67 6.99,68 0.253,69 1.31,70 17.954,71 7.405,72 27.968,73 8.919,74 0.466,75 1.399,76 19.888,77 7.135,78 43.902,79 8.45,80 0.361,81 1.317,82 19.351,83 7.321,84 34.859,85 8.786,86 0.339,87 1.29,88 17.911,89 7.219,90 37.961,91 8.211,92 0.455,93 1.333,94 19.072,95 7.359,96 48.072,97 8.346,98 0.359,99 1.396,100 20.531,101 8.084,102 38.243,103 9.607,104 6,105 48,106 0.261,107 0.532,108 0.672,109 0.828,110 0.876,111 0.876,112 3.442,113 0.829,114 -4.89,115 -4.79,116 -4.5,120 48.9,125 1,143 13,144 2,145 2,147 2,152 1,153 1,159 1,167 3,174 11,176 2,177 11,185 11,188 1,189 16,197 7,200 5,201 15,209 4,213 3,214 11,222 7,226 3,227 13,235 9,239 2,240 15,247 11,251 1,252 12,260 14,263 1,264 7,271 14,274 1568,275 20.938,276 20.938,277 20.938,278 20.938,279 20.938,280 17.81,281 16.624,282 12.371,283 21.291,284 16.753,285 16.753,286 16.753,287 16.753,288 16.753,289 11.965,290 16.544,291 5.807,292 17.227,293 3.982,294 2.344,295 1.497,296 0.559,297 0.271,298 0.271,299 4.152,306 1,307 1,308 630,309 2.915,312 139.637,313 267.955,316 118.491,320 1.369,321 24.48,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 64.5,333 284,334 4.66,335 3.722,336 6.884,337 4.253,338 3.275,339 4.538,340 0.98,341 11.483,342 3.199,343 4.468,344 3.112,345 6.548,346 4.004,347 3.038,348 4.246,349 0.86,350 10.354,351 2.933,352 4.094,353 2.888,354 6.071,355 3.691,356 2.723,357 3.687,359 8.794,360 2.632,361 3.933,362 2.872,363 5.828,364 3.518,365 2.536,366 3.45,368 7.919,369 2.489,370 3.606,371 2.573,372 5.35,373 3.186,374 2.223,375 3.003,377 6.719,378 2.131,379 3.302,380 1.959,381 5.01,382 2.85,383 1.877,384 2.612,386 5.505,387 1.82,388 3.106,389 1.785,390 4.501,391 2.642,392 1.656,393 2.357,395 4.4,396 1.63,397 3.045,398 1.627,399 4.261,400 2.526,401 1.545,402 2.316,404 3.753,405 1.512,406 2.822,407 1.545,408 4.032,409 2.329,410 1.342,411 1.943,413 3.21,414 1.319,415 2.67,416 1.296,417 3.649,418 2.184,419 1.192,420 1.745,422 2.75,423 1.181,424 2.552,425 1.13,426 3.511,427 2.058,428 1.063,429 1.572,431 2.6,432 1.057,433 2.5,434 1.016,435 3.469,436 2,437 1,438 1.5,440 2.289,441 1,442 2.351,443 1,444 3.447,445 1.825,446 0.843,447 1.258,449 2.136,450 0.824,451 2.233,452 0.938,453 3.247,454 1.699,455 0.708,456 1.057,458 1.803,459 0.698,460 1.921,461 0.808,462 3.028,463 1.351,464 0.427,465 0.526,467 0.827,468 0.366,469 14.167,470 0.472,471 0.602,472 0.02,473 45.25,474 1.508,475 26,476 0.867,477 19.25,478 0.642,479 19.914,480 0.664,481 29.633,482 0.63,483 35.693,484 1.19,485 9.335,486 0.311,487 5.407,488 0.18,489 0.059,491 0.339,496 0.608,497 0.994,498 0.64,499 0.944,500 0.569,501 0.831,502 0.954,503 1.2,504 0.79,505 0.967,506 0.715,507 0.879,508 1,509 1.244,510 0.862,511 1.033,512 0.844,513 0.942,514 1.153,515 1.047,516 0.966,517 0.913,518 1.291,519 0.896,520 1.111,521 0.942,522 0.886,523 0.856,524 1.197,525 0.826,526 1.273,527 1.095,528 0.922,529 0.983,530 1.687,531 0.912,532 1.275,533 1.047,534 1.041,535 0.918,536 1.516,537 0.929,538 1.152,539 1.006,540 1.143,541 1.022,542 1.121,543 1.059,544 4.5,545 0.094,546 3.333,547 1.979,548 1.661,549 1.192,550 0.679,551 0.511,552 0.303,553 0.177,554 11322,555 30770,556 2.186,557 36.2,559 16,560 1,567 1.737,568 2.093,569 3.225,570 -0.759,575 73.927,576 1.573,577 3.211,578 4.057,579 4.996,580 5.283,581 5.283,582 2.644,583 4.574,584 4.877,585 3.393,586 1475.83,587 8.56,588 20064.7,593 261.066,594 1.231,595 4.859,596 0.132,597 0.004,598 0.069,599 0.04,600 0.035,601 0.025,602 0.014,603 0.011,604 0.007,605 0.005,606 0.343,607 0.17,608 0.88,609 0.588,610 150.912,611 0.147,612 0.072,613 0.079,614 -0.037,615 -0.028,616 -0.01,617 -0.005,618 -0.157,619 0.024,620 -0.048,621 -0.042,622 -0.023,623 -0.028,624 -0.222,625 0.044,626 -0.094,627 0.075,628 -0.029,629 0.044,630 0.033,631 -0.009,632 -0.01,633 0.049,634 -0.015,635 -0.028,636 0.096,637 0.069,638 0.081,639 0.017,640 0.094,641 -0.052,642 -0.068,643 -0.004,644 -0.054,645 -0.087,646 -0.03,647 -0.065,648 -0.015,649 -0.116,650 0.011,651 -0.07,652 -0.042,653 -0.155,654 0.008,655 -0.202,656 -0.072,657 -0.106,658 -0.124,659 1.969,660 6.491,661 0.867,662 27.116,663 1.01,664 1.115,665 3.655,666 13.362,667 0.713,668 3.555,669 3.892,670 4.234,671 4.543,672 4.779,673 4.913,674 5.1,675 5.268,676 5.38,677 5.489,678 6.056,679 0.696,680 395.45,681 3.555,682 5.106,683 5.984,684 6.878,685 7.775,686 8.679,687 9.585,688 10.495,689 11.405,690 12.319,691 10.6,699 2,701 3,708 2,709 14,710 3,714 5,715 2,716 27,735 1,738 47,739 28,740 3,741 34,743 51,744 23,745 21,746 5,747 13,748 1,752 5,753 6,768 22,769 1,772 1,778 1,782 1,789 17,790 5,792 7,797 5,803 0.8,804 2,814 1,822 2,823 3,826 1,855 4,859 1,862 30,872 1,883 1,886 4.3,889 1,891 1,893 14.333,894 9,895 6.611,896 2.687,898 4.148,899 1.523,900 1.037,901 4.621,902 12.074,903 3.902,904 4.559,905 5.247,906 5.898,907 6.43,908 6.803,909 7.28,910 7.749,911 8.106,912 8.533,913 1,914 49,915 11.04,917 4.771,918 7.728,919 20.862,921 17.102,924 2.228,925 66.833,929 200.109,930 169.243,931 53.42,933 36.145,936 169.243,937 236.254,938 53.42,939 10.883,941 132.239,942 79.716,943 33.825,944 13.915,945 188.338,947 200.109,948 222.662,949 36.145,952 200.109,953 36.145,956 8.454,957 164.342,958 49.867,960 200.109,961 89.564,962 169.243,965 200.109,966 26.121,967 146.675,969 86.011,970 200.109,971 89.564,972 169.243,973 0.577,974 0.353,975 0.2,976 0.109,977 25,978 10,979 0.078,980 4,981 1,982 1.077,983 4.099,984 287.814,985 0.077,986 26,987 143.207,993 18.286,994 7.581,995 3.311,996 1.302,997 86.011,998 26.206,999 12.898,1003 3.275,1004 3.006,1006 458.916,1007 48.5,1013 13.491,1017 -0.302,1020 47.465,1021 52.402,1022 0.283,1023 0.578,1024 0.73,1025 0.899,1026 0.951,1027 0.951,1028 5.122,1029 1.545,1030 5.964,1031 4.4,1032 4.575,1033 5.247,1034 1.481,1035 6.81,1036 4.523,1037 6.348,1038 1.342,1039 7.538,1040 3.753,1041 4.111,1042 4.997,1044 7.771,1045 4.018,1046 7.665,1047 1.192,1048 9.218,1049 3.21,1050 6.192,1051 7.523,1052 1.37,1053 10.924,1054 6.084,1055 9.025,1056 1.063,1057 10.961,1058 2.75,1059 6.621,1060 8.18,1062 12.745,1063 6.47,1064 10.421,1065 1,1066 12.746,1067 2.6,1068 8.125,1069 10.102,1070 1.275,1071 15.404,1072 7.961,1073 11.842,1074 0.843,1075 14.558,1076 2.289,1077 8.953,1078 11.186,1080 17.562,1081 8.75,1082 13.284,1083 0.708,1084 16.391,1085 2.136,1086 10.235,1087 12.857,1088 1.193,1089 20.06,1090 10.015,1091 3.275,1092 0.427,1093 18.238,1094 1.803,1095 11.243,1096 14.15,1098 22.361,1099 10.99,1100 3.038,1101 11.483,1102 20.096,1103 0.827,1104 12.441,1105 15.713,1106 1.123,1107 24.804,1108 12.168,1109 2.723,1110 10.354,1111 21.964,1112 4.538,1113 13.531,1114 17.108,1116 27.168,1117 13.23,1118 2.536,1119 8.794,1120 23.838,1121 4.246,1122 14.7,1123 18.626,1124 1.062,1125 29.594,1126 14.377,1127 2.223,1128 7.919,1129 25.718,1130 3.687,1131 15.829,1132 20.071,1134 31.989,1135 15.48,1136 1.877,1137 6.719,1138 27.603,1139 3.45,1140 16.99,1141 21.572,1142 1.01,1143 34.411,1144 16.619,1145 1.656,1146 5.505,1147 29.492,1148 3.003,1149 18.138,1150 23.041,1152 36.821,1153 17.742,1154 10513,1155 17518,1156 23.463,1157 33.506,1158 52.046,1159 53.099,1160 52.958,1161 51.571,1162 51.57,1163 72.584,1164 3.68,1165 150.326,1166 50.259,1167 5.462,1168 5.722,1169 6.686,1170 5.301,1171 5.275,1172 7.538,1173 1.96,1174 19.149,1175 5.199,1176 9.878,1177 1.531,1178 1.562,1179 1.558,1180 1.517,1181 1.517,1182 2.135,1183 0.108,1184 4.421,1185 1.478,1186 4.134,1187 4.177,1188 4.112,1189 3.996,1190 7.428,1191 4.016,1192 4.01,1193 4.052,1194 3.977,1195 3.9,1196 5.14,1197 3.911,1198 3.87,1199 3.896,1200 3.808,1201 3.805,1202 4.985,1203 3.801,1204 3.687,1205 3.721,1206 3.63,1207 3.566,1208 4.818,1209 3.58,1210 3.368,1211 3.431,1212 3.309,1213 3.122,1214 4.625,1215 3.164,1216 3.24,1217 3.307,1218 3.061,1219 2.966,1220 4.423,1221 2.976,1222 3.007,1223 3.051,1224 2.958,1225 2.817,1226 4.334,1227 2.834,1228 2.888,1229 2.944,1230 2.781,1231 2.78,1232 3.784,1233 2.773,1234 0.137,1235 0.109,1236 0.202,1237 0.125,1238 0.096,1239 4.66,1240 0.133,1241 3.722,1242 0.029,1243 6.884,1244 0.338,1245 4.253,1246 0.094,1247 3.275,1248 4.538,1249 0.98,1250 11.483,1251 3.199,1252 1.929,1253 1.906,1254 2.018,1255 2.03,1256 1.127,1257 2.024,1258 1.904,1259 1.876,1260 2.014,1261 2.015,1262 1.093,1263 2.014,1264 1.89,1265 1.863,1266 1.993,1267 1.976,1268 1.08,1269 1.982,1270 1.543,1271 1.52,1272 1.62,1273 1.75,1274 0.717,1275 1.702,1276 1.241,1277 1.174,1278 1.563,1279 1.54,1280 0.572,1281 1.538,1282 1.191,1283 1.118,1284 1.333,1285 1.5,1286 0.367,1287 1.468,1288 1.117,1289 1.048,1290 1.247,1291 1.357,1292 0.302,1293 1.328,1294 0.947,1295 0.896,1296 1.181,1297 1.131,1298 0.218,1299 1.128,1300 4.234,1302 5.565,1303 3.045,1304 7.098,1305 5.416,1306 8.718,1307 7.545,1308 10.383,1310 1.606,1318 5.351,1326 32.697,1327 73.927,1328 150.902,1329 190.695,1330 234.801,1331 248.311,1332 248.311,1333 42.984,1334 7.926,1335 74.83,1336 74.83,1337 28,1338 12.832,1339 4.858,1340 3.954,1341 41.158,1342 104,1343 111,1344 0.186,1345 198.335,1346 328.42,1347 475.698,1348 28795,1350 20.501,1351 0.683,1352 0.538,1353 20.501,1354 16.135,1355 14.742,1356 0.434,1357 0.276,1358 9.25,1359 14.153,1360 9.054,1361 7.532,1362 14.742,1363 9.391,1364 12.967,1365 0.27,1366 0.14,1367 12.967,1368 6.699,1369 11.762,1370 0.173,1371 0.071,1372 11.762,1373 4.853,1374 10.124,1375 0.109,1376 0.036,1377 10.124,1378 3.36,1379 8.224,1380 0.07,1381 0.019,1382 8.224,1383 2.234,1384 0.283,1385 92.571,1386 0.206,1387 27.734,1388 0.543,1389 164,1390 493.697,1391 179.806,1392 481.035,1393 675.55,1394 452,1395 198,1396 524.216,1397 216.527,1398 528.309,1399 774.37,1400 497,1401 5.382}
{0 CHEMBL1566084,1 1.65,2 10.038,3 3.868,4 14.965,5 101.506,6 8.677,7 0.759,8 3.861,9 3.938,10 3.724,11 3.524,12 4.992,13 3.485,14 4.363,15 4.47,16 4.006,17 3.897,18 5.726,19 3.854,20 4.574,21 4.712,22 4.112,23 4.037,24 5.792,25 3.972,26 4.648,27 4.802,28 4.088,29 3.996,30 5.893,31 3.919,32 4.631,33 4.808,34 4.015,35 3.922,36 5.921,37 3.826,38 4.526,39 4.71,40 3.857,41 3.768,42 5.81,43 3.695,44 4.383,45 4.557,46 3.642,47 3.626,48 5.747,49 3.571,50 4.21,51 4.398,52 3.398,53 3.558,54 5.327,55 3.466,56 0.087,57 0.578,58 8.969,59 4.067,60 14.454,61 4.189,62 0.335,63 0.92,64 14.121,65 6.605,66 49.237,67 7.068,68 0.222,69 1.164,70 19.69,71 8.758,72 31.959,73 9.382,74 0.368,75 1.257,76 23.222,77 9.239,78 48.918,79 9.5,80 0.438,81 1.218,82 24.559,83 9.614,84 60.085,85 10.303,86 0.36,87 1.09,88 25.331,89 8.942,90 53.4,91 9.105,92 0.542,93 0.918,94 19.012,95 6.827,96 72.711,97 7.041,98 0.208,99 0.772,100 16.544,101 6.492,102 35.252,103 7.434,104 11,105 42,106 0.282,107 0.544,108 0.69,109 0.836,110 0.869,111 0.885,112 3.305,113 0.983,114 -3.92,115 -3.88,116 -3.68,120 47.6,125 1,143 11,144 3,145 3,146 1,147 1,174 12,176 1,177 4,180 2,182 1,185 14,189 8,192 1,194 4,197 12,200 1,201 8,206 3,209 6,213 2,214 8,217 1,219 3,222 4,227 8,232 2,235 6,239 2,240 6,245 1,247 8,252 4,260 10,264 4,271 9,274 924,275 17.687,276 17.687,277 17.687,278 17.687,279 17.687,280 14.878,281 10.351,282 10.276,283 18.086,284 14.263,285 14.263,286 14.263,287 14.263,288 14.263,289 9.962,290 8.465,291 4.765,292 14.832,293 3.743,294 2.204,295 1.353,296 0.494,297 0.304,298 0.208,299 4.003,305 1,306 1,307 1,308 574,309 3.391,313 252.085,317 214.868,320 1.429,321 30.066,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 56,333 261,334 4.875,335 4.687,336 7.318,337 4.342,338 3.416,339 4.752,340 0.86,341 12.571,342 3.157,343 4.569,344 3.232,345 6.689,346 4.075,347 3.106,348 4.52,350 10.802,351 2.997,352 4.334,353 2.847,354 6.15,355 3.823,356 2.828,357 4.232,359 9.09,360 2.801,361 3.662,362 2.595,363 5.694,364 3.239,365 2.295,366 3.087,368 7.481,369 2.162,370 3.355,371 2.055,372 4.94,373 2.88,374 1.917,375 2.728,377 5.322,378 1.84,379 3.222,380 1.699,381 4.657,382 2.683,383 1.685,384 2.551,386 4.774,387 1.681,388 3.118,389 1.618,390 4.403,391 2.618,392 1.618,393 2.427,395 4.281,396 1.618,397 2.842,398 1.379,399 3.785,400 2.336,401 1.34,402 2.001,404 2.965,405 1.334,406 2.782,407 1.35,408 3.617,409 2.27,410 1.287,411 1.92,413 2.856,414 1.264,415 2.497,416 1.243,417 3.596,418 1.999,419 1.066,420 1.493,422 2.643,423 0.989,424 2.158,425 0.944,426 3.287,427 1.661,428 0.671,429 0.987,431 1.552,432 0.661,433 1.843,434 0.714,435 3.137,436 1.516,437 0.611,438 0.727,440 1.185,441 0.549,442 1.235,443 0.34,444 2.883,445 0.897,446 -0.024,447 -0.029,449 -0.046,450 -0.022,451 1.032,452 0.101,453 2.649,454 0.53,455 -0.446,456 -0.635,458 -1.098,459 -0.429,460 1,461 -0.428,462 2.394,463 0.394,464 -0.568,465 -0.798,467 -1.383,468 -0.542,469 12.633,470 0.486,471 0.676,472 0.026,473 40.25,474 1.548,475 24,476 0.923,477 16.25,478 0.625,479 16.322,480 0.628,481 26.367,482 0.628,483 30.253,484 1.164,485 7.945,486 0.306,487 4.636,488 0.178,489 0.092,490 0.066,491 0.277,496 0.562,497 1.134,498 0.773,499 1.128,500 0.675,501 0.84,502 0.808,503 0.971,504 0.864,505 0.876,506 0.61,507 0.844,508 0.958,509 1.116,510 1.01,511 1.064,512 0.882,513 0.976,514 1.271,515 1.168,516 1.183,517 1.139,518 1.282,519 1.078,520 1.125,521 1.059,522 1.128,523 1.08,524 1.337,525 1.026,526 1.394,527 1.066,528 1.247,529 1.154,530 1.529,531 0.953,532 1.434,533 0.81,534 1.109,535 0.83,536 1.77,537 0.887,538 0.942,539 0.92,540 1.106,541 1.026,542 0.994,543 0.991,544 5.5,545 0.087,546 3.778,547 1.938,548 1.902,549 1.132,550 0.61,551 0.41,552 0.184,553 0.117,554 7813,555 22165,556 2.115,557 38.1,559 14,561 1,562 1,567 1.693,568 1.987,569 3.298,570 -0.332,572 1,575 69.284,576 1.65,577 3.188,578 4.04,579 4.898,580 5.089,581 5.184,582 2.73,583 4.133,584 4.675,585 3.422,586 1112.19,587 8.108,588 13442.7,590 1,592 1,593 226.477,594 1.508,595 4.629,596 0.19,597 0.006,598 0.09,599 0.043,600 0.048,601 0.031,602 0.019,603 0.015,604 0.008,605 0.006,606 0.455,607 0.33,608 1,609 0.721,610 125.593,611 0.092,612 -0.092,613 0.216,614 -0.085,615 -0.168,616 0.032,617 0.165,618 0.046,619 0.01,620 0.063,621 0.227,622 0.021,623 -0.059,624 -0.1,625 -0.027,626 -0.068,627 -0.006,628 -0.055,629 -0.126,630 -0.13,631 -0.104,632 -0.116,633 -0.111,634 -0.153,635 0.036,636 -0.039,637 0.01,638 -0.027,639 0.006,640 -0.054,641 -0.141,642 -0.048,643 -0.035,644 -0.062,645 -0.048,646 0.038,647 -0.017,648 0.196,649 -0.136,650 0.107,651 -0.093,652 0.039,653 -0.101,654 0.023,655 -0.141,656 -0.04,657 -0.063,658 0.02,659 4.663,660 5.873,661 0.769,662 20.237,663 1.011,664 1.106,665 2.694,666 7.257,667 0.723,668 3.401,669 3.761,670 4.06,671 4.331,672 4.605,673 4.654,674 4.771,675 4.828,676 4.898,677 4.828,678 5.859,679 0.692,680 364.45,681 3.401,682 4.963,683 5.832,684 6.732,685 7.619,686 8.523,687 9.415,688 10.319,689 11.214,690 12.118,691 4.8,696 1,701 1,708 4,709 12,710 1,714 3,716 22,735 1,738 42,739 24,740 3,741 29,743 45,744 20,745 19,746 7,747 9,752 4,753 6,768 19,769 1,772 2,776 1,778 2,786 1,789 16,790 5,791 1,792 6,793 1,797 2,803 0.5,804 3,816 1,823 4,827 2,855 2,857 1,859 1,862 26,866 1,871 1,872 1,886 7.1,889 2,891 1,893 13.083,894 7.867,895 5.653,896 2.304,898 4.427,899 1.587,900 1.043,901 4.172,902 11.974,903 3.761,904 4.477,905 5.115,906 5.752,907 6.386,908 6.715,909 7.136,910 7.475,911 7.859,912 7.864,913 0.857,914 45,915 9.85,917 4.518,918 7.869,919 18.159,921 15.226,924 2.369,925 61.583,928 1,929 176.567,930 149.391,931 33.191,933 55.313,935 5.807,936 143.583,937 231.879,938 33.191,939 10.883,941 110.046,942 89.275,943 39.461,945 164.795,947 176.567,948 176.774,949 55.313,950 5.807,952 176.567,953 55.313,956 11.192,957 132.392,958 38.998,960 176.567,961 88.503,962 149.391,964 5.807,965 176.567,966 19.414,967 124.169,968 16.405,969 72.098,970 176.567,971 88.503,972 149.391,973 0.587,974 0.354,975 0.194,976 0.11,977 22,978 9,979 0.089,980 4,981 2,982 1.2,983 3.725,984 229.213,985 0.2,986 20,987 120.211,992 1,993 16.676,994 6.505,995 3.097,996 3.14,997 88.503,998 21.33,999 4.311,1003 1.257,1005 16.405,1006 414.46,1007 42,1011 -3.747,1013 25.747,1020 42.447,1021 46.451,1022 0.306,1023 0.591,1024 0.749,1025 0.908,1026 0.944,1027 0.961,1028 4.994,1029 1.34,1030 5.855,1031 4.281,1032 4.443,1033 5.165,1034 0.908,1035 6.739,1036 4.368,1037 6.264,1038 1.287,1039 7.466,1040 2.965,1041 4.205,1042 5.27,1044 7.978,1045 4.05,1046 7.634,1047 1.066,1048 9.192,1049 2.856,1050 6.151,1051 7.598,1052 0.739,1053 11.037,1054 5.982,1055 9.051,1056 0.671,1057 10.99,1058 2.643,1059 6.746,1060 8.522,1062 13.082,1063 6.476,1064 10.502,1065 0.611,1066 12.833,1067 1.552,1068 8.201,1069 10.355,1070 0.593,1071 15.734,1072 7.912,1073 11.98,1074 -0.024,1075 14.707,1076 1.185,1077 9.149,1078 11.627,1080 18.065,1081 8.761,1082 13.476,1083 -0.446,1084 16.603,1085 -0.046,1086 10.429,1087 13.276,1088 0.469,1089 20.606,1090 10.005,1091 3.416,1092 -0.568,1093 18.514,1094 -1.098,1095 11.525,1096 14.696,1098 23.044,1099 11.009,1100 3.106,1101 12.571,1102 20.437,1103 -1.383,1104 12.746,1105 16.272,1106 0.366,1107 25.557,1108 12.177,1109 2.828,1110 10.802,1111 22.37,1112 4.752,1113 13.902,1114 17.755,1116 28.039,1117 13.247,1118 2.295,1119 9.09,1120 24.31,1121 4.52,1122 15.106,1123 19.303,1124 0.283,1125 30.549,1126 14.386,1127 1.917,1128 7.481,1129 26.256,1130 4.232,1131 16.29,1132 20.814,1134 33.05,1135 15.486,1136 1.685,1137 5.322,1138 28.208,1139 3.087,1140 17.492,1141 22.353,1142 0.217,1143 35.564,1144 16.615,1145 1.618,1146 4.774,1147 30.164,1148 2.728,1149 18.688,1150 23.877,1152 38.075,1153 17.73,1154 7376,1155 12594,1156 19.474,1157 30.352,1158 43.756,1159 44.86,1160 45.03,1161 43.712,1162 43.678,1163 62.853,1164 1.72,1165 131.044,1166 42.106,1167 5.708,1168 6.687,1169 7.006,1170 5.404,1171 5.416,1172 7.752,1173 1.72,1174 20.124,1175 5.157,1176 10.801,1177 1.509,1178 1.547,1179 1.553,1180 1.507,1181 1.506,1182 2.167,1183 0.059,1184 4.519,1185 1.452,1186 4.169,1187 4.168,1188 4.739,1189 4.146,1190 7.717,1191 4.1,1192 4.044,1193 4.065,1194 4.017,1195 3.98,1196 6.999,1197 3.985,1198 3.815,1199 3.781,1200 3.964,1201 3.783,1202 5.024,1203 3.688,1204 3.462,1205 3.505,1206 3.37,1207 3.351,1208 4.881,1209 3.347,1210 3.329,1211 3.37,1212 3.256,1213 3.216,1214 4.614,1215 3.19,1216 3.219,1217 3.265,1218 3.105,1219 2.986,1220 4.298,1221 2.995,1222 3.02,1223 3.072,1224 2.906,1225 2.925,1226 4.252,1227 2.908,1228 2.889,1229 2.948,1230 2.747,1231 2.718,1232 3.874,1233 2.71,1234 0.168,1235 0.162,1236 0.252,1237 0.15,1238 0.118,1239 4.875,1240 0.164,1241 4.687,1242 0.03,1243 7.318,1244 0.433,1245 4.342,1246 0.109,1247 3.416,1248 4.752,1249 0.86,1250 12.571,1251 3.157,1252 2.097,1253 2.091,1254 2.148,1255 2.153,1256 1.317,1257 2.171,1258 2.023,1259 2.003,1260 2.085,1261 2.106,1262 1.216,1263 2.105,1264 1.663,1265 1.692,1266 1.653,1267 1.764,1268 0.863,1269 1.812,1270 1.449,1271 1.408,1272 1.63,1273 1.614,1274 0.655,1275 1.621,1276 1.271,1277 1.247,1278 1.556,1279 1.501,1280 0.575,1281 1.521,1282 1.165,1283 1.108,1284 1.292,1285 1.373,1286 0.445,1287 1.41,1288 1.03,1289 0.985,1290 1.153,1291 1.176,1292 0.315,1293 1.209,1294 0.85,1295 0.798,1296 0.987,1297 1.041,1298 0.107,1299 1.048,1300 4.078,1302 5.425,1304 6.989,1306 8.648,1308 10.353,1310 1.57,1317 2.648,1318 5.328,1326 29.062,1327 69.284,1328 133.894,1329 169.669,1330 205.722,1331 213.722,1332 217.722,1333 45.657,1334 7.548,1335 68.29,1336 76.67,1337 24,1338 12.639,1339 4.644,1340 3.807,1341 37.98,1342 92,1343 86,1344 0.205,1345 180.478,1346 302,1347 432.126,1348 19726,1350 18.148,1351 0.698,1352 0.57,1353 18.398,1354 14.825,1355 12.582,1356 0.434,1357 0.328,1358 8.046,1359 11.427,1360 7.715,1361 6.417,1362 13.403,1363 9.5,1364 11.625,1365 0.277,1366 0.179,1367 12.926,1368 7.512,1369 9.952,1370 0.175,1371 0.098,1372 11.029,1373 5.588,1374 8.401,1375 0.112,1376 0.054,1377 9.421,1378 4.046,1379 7.139,1380 0.072,1381 0.03,1382 8.178,1383 2.997,1384 0.316,1385 86.651,1386 0.227,1387 24.774,1388 0.578,1389 142,1390 430.045,1391 189.508,1392 438.755,1393 602.25,1394 406,1395 170,1396 420.114,1397 226.245,1398 466.073,1399 680.34,1400 436,1401 5.126}
{0 CHEMBL1566610,1 1.42,2 11.791,3 3.374,4 11.381,5 151.399,6 7.502,8 4.471,9 4.558,10 4.037,11 4.009,12 5.577,13 3.998,14 5.112,15 5.245,16 4.538,17 4.507,18 6.225,19 4.484,20 5.523,21 5.676,22 4.771,23 4.807,24 6.611,25 4.768,26 5.815,27 5.999,28 4.862,29 4.94,30 6.964,31 4.875,32 5.805,33 6.013,34 4.791,35 4.899,36 6.922,37 4.826,38 5.749,39 5.956,40 4.733,41 4.716,42 7.133,43 4.674,44 5.483,45 5.673,46 4.395,47 4.377,48 6.956,49 4.345,50 5.192,51 5.382,52 4.284,53 4.005,54 6.711,55 4.05,56 0.112,57 1.025,58 15.811,59 8.54,60 28.913,61 10.033,62 0.745,63 1.83,64 33.856,65 15.322,66 105.159,67 18.797,68 0.835,69 2.663,70 53.134,71 22.254,72 165.43,73 27.315,74 2.271,75 3.332,76 77.823,77 27.94,78 327.454,79 35.401,80 1.676,81 3.3,82 77.971,83 27.876,84 250.51,85 36.172,86 2.254,87 2.925,88 77.118,89 24.336,90 390.427,91 31.175,92 1.908,93 2.162,94 59.54,95 17.688,96 381.31,97 21.713,98 1.976,99 1.515,100 46.573,101 12.165,102 296.446,103 14.773,104 145,105 77,106 0.217,107 0.525,108 0.72,109 0.759,110 0.759,111 0.759,112 3.788,113 0.927,114 -4.19,115 -4.13,116 -3.91,120 41.8,121 4,122 3,123 6,124 2,128 4,135 2,136 4,137 2,157 2,159 4,174 18,176 4,177 20,185 24,189 20,197 26,200 8,201 26,209 28,213 2,214 22,222 18,226 6,227 32,235 16,239 4,240 20,247 2,251 8,252 20,260 4,263 4,264 4,271 12,274 3214,275 27.716,276 27.716,277 27.716,278 27.716,279 27.716,280 26.469,281 35.476,282 15.028,283 28.007,284 23.5,285 23.5,286 23.5,287 23.5,288 23.5,289 21.054,290 36.876,291 6.97,292 23.91,293 4.884,294 2.862,295 1.583,296 1.329,297 1.329,298 1.329,299 4.485,307 1,308 1114,309 4.796,312 311.199,314 234.013,317 662.842,320 1.408,321 94.241,324 0.75,325 0.5,326 0.83,327 0.9,328 1,329 0.83,330 1,331 0.83,332 96,333 507,334 4.802,335 4.154,336 8.161,337 4.741,338 3.745,339 3.924,340 2.643,341 15.743,342 3.731,343 4.8,344 4.144,345 8.161,346 4.74,347 3.743,348 3.923,349 2.298,350 15.743,351 3.73,352 4.283,353 3.843,354 6.814,355 4.085,356 3.105,357 3.526,358 1.674,359 11.066,360 3.034,361 4.282,362 3.797,363 6.813,364 4.084,365 3.104,366 3.526,367 1.674,368 11.064,369 3.033,370 3.843,371 3.791,372 6.025,373 3.573,374 2.599,375 3.048,376 1.277,377 8.144,378 2.515,379 3.553,380 3.501,381 6.022,382 3.48,383 2.494,384 2.652,385 1.277,386 8.104,387 2.464,388 3.509,389 3.064,390 5.636,391 3.425,392 2.42,393 2.55,394 0.405,395 7.119,396 2.422,397 3.492,398 3.047,399 5.613,400 3.194,401 2.21,402 2.548,403 0.211,404 6.803,405 2.15,406 3.377,407 2.771,408 5.334,409 3.097,410 2.091,411 2.451,413 6.453,414 2.083,415 3.22,416 2.768,417 5.262,418 2.889,419 1.896,420 2.284,422 5.75,423 1.857,424 3.072,425 2.556,426 5.17,427 2.798,428 1.791,429 2.086,431 5.492,432 1.793,433 3.066,434 2.548,435 4.673,436 2.732,437 1.716,438 2.08,440 4.793,441 1.723,442 2.836,443 2.018,444 4.629,445 2.436,446 1.464,447 1.785,449 4.177,450 1.405,451 2.835,452 2.018,453 4.619,454 2.435,455 1.464,456 1.784,458 4.163,459 1.403,460 2.535,461 1.657,462 4.354,463 2.096,464 1.093,465 1.358,467 2.954,468 1.089,469 19.833,470 0.461,471 1.743,472 0.041,473 42.5,474 0.988,475 15,476 0.349,477 27.5,478 0.64,479 60.265,480 1.402,481 48.567,482 0.615,483 45.818,484 1.066,485 7.461,486 0.174,487 12.727,488 0.296,489 0.252,490 0.05,491 0.454,496 0.64,497 1.209,498 0.731,499 1.186,500 0.561,501 1.018,502 0.611,503 1.041,504 0.73,505 1.031,506 0.475,507 0.933,508 0.945,509 1.192,510 0.966,511 1.179,512 0.735,513 1.096,514 0.99,515 1.033,516 1.069,517 1.042,518 0.887,519 1.07,520 0.979,521 1.053,522 0.992,523 1.05,524 0.896,525 1.029,526 1.205,527 0.951,528 0.994,529 0.936,530 1.337,531 0.914,532 1.561,533 1.034,534 1.243,535 1.02,536 1.818,537 1.043,538 1.616,539 0.7,540 0.961,541 0.661,542 1.644,543 0.643,544 12.5,545 0.567,546 8.444,547 7.028,548 4.48,549 3.098,550 1.834,551 0.813,552 0.548,553 0.371,554 28284,555 78262,556 2.017,557 45.6,558 16,559 12,563 2,564 4,565 2,567 1.821,568 1.792,569 3.372,570 -0.763,575 112.197,576 1.42,577 3.442,578 4.721,579 4.974,580 4.974,581 4.974,582 2.514,583 4.356,584 5.41,585 3.656,586 3301.15,587 9.589,588 57880.5,593 497.999,594 1.749,595 5.298,596 0.26,597 0.009,598 0.11,599 0.075,600 0.047,601 0.034,602 0.023,603 0.015,604 0.011,605 0.008,606 0.592,607 0.33,608 0.63,609 0.64,610 241.918,611 -0.015,612 -0.032,613 0.056,614 -0.02,615 -0.031,616 0.027,617 0.158,618 0.061,619 0.138,620 0.064,621 0.109,622 0.09,623 -0.089,624 -0.129,625 -0.059,626 -0.122,627 -0.022,628 -0.089,629 0.034,630 -0.034,631 -0.087,632 -0.048,633 -0.027,634 -0.09,635 -0.048,636 -0.069,637 -0.01,638 -0.062,639 -0.05,640 -0.032,641 -0.008,642 -0.008,643 0.058,644 0.002,645 0.002,646 0.039,647 -0.147,648 -0.102,649 -0.156,650 -0.106,651 -0.116,652 -0.129,653 0.075,654 0.193,655 0.202,656 0.204,657 0.044,658 0.231,659 2.621,660 6.422,661 0.605,662 34.308,663 1.015,664 1.121,665 2.959,666 8.757,667 0.649,668 3.892,669 4.357,670 4.745,671 5.094,672 5.323,673 5.545,674 5.694,675 5.802,676 5.889,677 5.869,678 7.614,679 0.628,680 592.69,681 3.892,682 5.525,683 6.45,684 7.408,685 8.353,686 9.315,687 10.267,688 11.229,689 12.184,690 13.146,738 79,739 10,741 48,743 84,744 33,748 12,752 6,753 12,759 4,760 2,762 2,763 6,764 6,766 7,768 14,769 19,770 6,772 10,773 2,778 6,780 4,782 8,789 36,790 10,792 10,803 0.333,804 10,822 4,824 2,827 4,836 2,841 4,843 2,845 4,846 2,855 2,859 4,862 43,869 3,872 4,874 10,876 2,886 12.7,889 6,891 4,893 24,894 15.333,895 8.944,896 5,898 0.923,899 1.099,900 0.912,901 7.101,902 10.232,903 4.078,904 4.585,905 5.043,906 5.421,907 5.707,908 5.996,909 6.172,910 6.378,911 6.558,912 6.593,913 1,914 94,915 16.529,917 8.074,918 8.097,919 30.313,921 27.588,924 2.597,925 111.667,929 423.76,930 157.747,933 194.869,936 157.747,937 618.629,939 35.301,940 39.137,941 37.905,942 189.902,943 50.371,945 423.76,947 423.76,948 157.747,949 194.869,952 353.133,953 265.496,956 42.904,957 76.937,958 37.905,960 423.76,961 194.869,962 157.747,965 423.76,966 53.007,967 73.206,969 226.403,970 423.76,971 194.869,972 157.747,973 0.62,974 0.392,975 0.217,976 0.117,977 42,978 22,979 0.071,980 6,981 4,982 1.308,983 4.604,984 505.904,985 0.308,986 26,987 191.329,993 29.908,994 10.209,995 4.295,997 194.869,1006 776.375,1007 58,1008 7.764,1013 78.367,1015 6.557,1017 -3.37,1020 80.178,1021 88.568,1022 0.225,1023 0.546,1024 0.749,1025 0.789,1026 0.789,1027 0.789,1028 5.451,1029 2.21,1030 6.541,1031 7.119,1032 5.043,1033 5.273,1034 3.683,1035 7.549,1036 5.012,1037 6.681,1038 2.091,1039 8.242,1040 6.803,1041 5.056,1042 5.323,1043 2.882,1044 9.033,1045 5.035,1046 8.039,1047 1.896,1048 10.057,1049 6.453,1050 6.878,1051 7.263,1052 4.962,1053 12.233,1054 6.825,1055 9.429,1056 1.791,1057 11.944,1058 5.75,1059 7.688,1060 8.084,1061 5.043,1062 14.579,1063 7.645,1064 10.855,1065 1.716,1066 13.881,1067 5.492,1068 9.105,1069 9.594,1070 6.495,1071 17.427,1072 9.044,1073 12.307,1074 1.464,1075 15.855,1076 4.793,1077 10.225,1078 10.729,1079 7.025,1080 20.054,1081 10.17,1082 13.781,1083 1.464,1084 17.857,1085 4.177,1086 11.54,1087 12.112,1088 8.199,1089 22.824,1090 11.477,1091 3.745,1092 1.093,1093 19.88,1094 4.163,1095 12.775,1096 13.372,1097 8.953,1098 25.537,1099 12.714,1100 3.743,1101 15.743,1102 21.92,1103 2.954,1104 14.072,1105 14.721,1106 10.003,1107 28.292,1108 14.008,1109 3.105,1110 15.743,1111 23.973,1112 3.924,1113 15.351,1114 16.031,1115 10.865,1116 31.033,1117 15.287,1118 3.104,1119 11.066,1120 26.036,1121 3.923,1122 16.65,1123 17.374,1124 11.862,1125 33.786,1126 16.584,1127 2.599,1128 11.064,1129 28.107,1130 3.526,1131 17.947,1132 18.706,1133 12.776,1134 36.536,1135 17.88,1136 2.494,1137 8.144,1138 30.183,1139 3.526,1140 19.252,1141 20.051,1142 13.751,1143 39.29,1144 19.183,1145 2.42,1146 8.104,1147 32.264,1148 3.048,1149 20.558,1150 21.393,1151 14.69,1152 42.044,1153 20.488,1154 26472,1155 44184,1156 30.172,1157 51.25,1158 77.827,1159 82.341,1160 83.229,1161 75.634,1162 75.646,1163 85.841,1164 22.921,1165 251.245,1166 74.457,1167 5.802,1168 6.082,1169 7.421,1170 5.854,1171 5.745,1172 6.352,1173 4.455,1174 24.388,1175 5.731,1176 30.507,1177 1.621,1178 1.715,1179 1.734,1180 1.576,1181 1.576,1182 1.788,1183 0.478,1184 5.234,1185 1.551,1186 4.097,1187 4.118,1188 4.031,1189 3.999,1190 7.45,1191 4.001,1192 4.033,1193 4.054,1194 3.97,1195 3.943,1196 7.435,1197 3.945,1198 3.771,1199 3.783,1200 3.716,1201 3.645,1202 7.431,1203 3.657,1204 3.77,1205 3.782,1206 3.715,1207 3.642,1208 7.427,1209 3.654,1210 3.657,1211 3.661,1212 3.599,1213 3.434,1214 7.425,1215 3.466,1216 3.505,1217 3.562,1218 3.361,1219 3.371,1220 7.417,1221 3.359,1222 3.485,1223 3.538,1224 3.342,1225 3.347,1226 4.746,1227 3.341,1228 3.277,1229 3.3,1230 3.212,1231 3.086,1232 4.711,1233 3.093,1234 0.1,1235 0.087,1236 0.17,1237 0.099,1238 0.078,1239 4.802,1240 0.082,1241 4.154,1242 0.055,1243 8.161,1244 0.328,1245 4.741,1246 0.078,1247 3.745,1248 3.924,1249 2.643,1250 15.743,1251 3.731,1252 1.816,1253 1.791,1254 1.993,1255 1.956,1256 1.389,1257 1.956,1258 1.808,1259 1.778,1260 1.993,1261 1.931,1262 1.389,1263 1.95,1264 1.774,1265 1.734,1266 1.936,1267 1.911,1268 1.331,1269 1.928,1270 1.769,1271 1.731,1272 1.927,1273 1.901,1274 1.329,1275 1.911,1276 1.517,1277 1.497,1278 1.685,1279 1.724,1280 0.835,1281 1.702,1282 1.512,1283 1.489,1284 1.685,1285 1.671,1286 0.799,1287 1.667,1288 1.494,1289 1.476,1290 1.666,1291 1.669,1292 0.798,1293 1.665,1294 1.416,1295 1.39,1296 1.612,1297 1.613,1298 0.69,1299 1.601,1300 4.575,1302 6.004,1303 3.714,1304 7.609,1305 6.279,1306 9.302,1307 8.511,1308 11.048,1310 7.332,1315 0.095,1318 22.99,1320 -5.683,1322 -2.385,1326 49.63,1327 112.197,1328 271.883,1329 372.979,1330 392.979,1331 392.979,1332 392.979,1333 161.541,1334 9.31,1335 139.34,1336 139.34,1337 34,1338 13.628,1339 3.459,1340 3.459,1341 63.687,1342 206,1343 146,1344 0.154,1345 293.646,1346 566.8,1347 708.256,1348 185742,1350 31.17,1351 0.725,1352 0.574,1353 31.17,1354 24.701,1355 20.187,1356 0.421,1357 0.309,1358 14.625,1359 19.317,1360 14.196,1361 11.586,1362 20.187,1363 14.829,1364 20.277,1365 0.263,1366 0.175,1367 20.277,1368 13.477,1369 18.357,1370 0.161,1371 0.097,1372 18.357,1373 11.078,1374 15.804,1375 0.098,1376 0.054,1377 15.804,1378 8.777,1379 12.284,1380 0.06,1381 0.03,1382 12.284,1383 6.05,1384 0.238,1385 127.854,1386 0.182,1387 36.902,1388 0.432,1389 250,1390 787.355,1391 280.335,1392 723.728,1393 956.58,1394 670,1395 316,1396 679.273,1397 345.9,1398 671.891,1399 1009.5,1400 632,1401 6.009}
{0 CHEMBL1566796,1 1.892,2 9.773,3 2.175,4 4.731,5 85.73,6 8.807,7 0.435,8 3.768,9 3.852,10 3.691,11 3.325,12 4.852,13 3.274,14 4.32,15 4.473,16 3.906,17 3.671,18 5.697,19 3.599,20 4.491,21 4.671,22 3.969,23 3.77,24 5.636,25 3.674,26 4.548,27 4.695,28 4.099,29 3.802,30 5.928,31 3.7,32 4.584,33 4.76,34 3.846,35 3.629,36 5.99,37 3.552,38 4.353,39 4.578,40 3.392,41 3.479,42 5.347,43 3.316,44 4.24,45 4.478,46 3.357,47 3.336,48 5.634,49 3.191,50 4.082,51 4.333,52 3.201,53 3.234,54 5.036,55 3.08,56 0.136,57 0.616,58 10.014,59 3.854,60 19.463,61 4.31,62 0.545,63 0.909,64 17.076,65 6.828,66 69.388,67 7.723,68 0.536,69 1.028,70 24.484,71 8.364,72 67.969,73 9.003,74 0.656,75 1.11,76 31.947,77 9.548,78 88.795,79 8.841,80 0.967,81 1.007,82 29.523,83 7.796,84 129.056,85 7.87,86 0.506,87 0.826,88 24.583,89 7.298,90 70.924,91 8.366,92 0.65,93 0.717,94 19.753,95 6.199,96 97.978,97 7.869,98 0.303,99 0.644,100 19.587,101 5.809,102 34.798,103 6.877,104 34,105 32,106 0.339,107 0.656,108 0.838,109 0.857,110 0.857,111 0.857,112 3.146,113 1.179,114 -2.14,115 -2.19,116 -2.17,120 33.3,121 2,122 2,126 2,143 2,144 1,145 1,147 2,159 1,174 4,176 3,177 4,180 2,182 1,185 2,189 7,194 2,197 1,200 2,201 10,204 1,206 2,209 1,213 2,214 5,217 3,219 1,222 2,227 1,235 3,239 4,240 2,245 1,247 3,252 3,260 1,263 2,264 6,274 698,275 14.43,276 14.43,277 14.43,278 14.43,279 14.43,280 12.803,281 10.845,282 8.629,283 14.839,284 11.296,285 11.296,286 11.296,287 11.296,288 11.296,289 8.699,290 7.344,291 3.97,292 11.869,293 3.394,294 1.623,295 0.603,296 0.5,297 0.5,298 0.5,299 3.8,305 1,306 1,307 1,308 444,309 4.123,312 49.975,313 63.602,316 95.052,320 1.45,321 37.025,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49.5,333 215,334 4.953,335 4.727,336 7.528,337 4.427,338 3.501,339 4.888,340 2.443,341 13.452,342 3.221,343 4.314,344 3.681,345 6.255,346 3.761,347 2.794,348 4.164,349 0.286,350 9.261,351 2.693,352 3.655,353 2.871,354 5.422,355 3.347,356 2.37,357 3.012,359 6.521,360 2.292,361 3.587,362 2.337,363 5.028,364 3.157,365 2.167,366 2.825,368 6.064,369 2.144,370 3.088,371 1.842,372 4.614,373 2.582,374 1.615,375 2.367,377 4.53,378 1.558,379 2.598,380 1.792,381 3.846,382 2.412,383 1.452,384 1.643,386 3.049,387 1.387,388 2.526,389 1.541,390 3.499,391 2.108,392 1.112,393 1.512,395 2.475,396 1.107,397 2.116,398 1.176,399 3.418,400 1.954,401 1.016,402 1.069,404 1.753,405 0.938,406 2,407 0.983,408 3.122,409 1.479,410 0.523,411 0.758,413 1.31,414 0.498,415 1.507,416 0.638,417 2.873,418 1.306,419 0.33,420 0.363,422 0.675,423 0.319,424 1.223,425 0.453,426 2.641,427 0.836,428 -0.126,429 -0.158,431 -0.327,432 -0.12,433 1,434 0.229,435 2.331,436 0.413,437 -0.539,438 -0.569,440 -0.849,441 -0.508,442 0.686,443 -0.306,444 2.169,445 0.3,446 -0.749,447 -0.922,449 -1.726,450 -0.778,451 0.628,452 -0.501,453 2,454 0.158,455 -0.831,456 -1.181,458 -2.24,459 -0.819,460 0.48,461 -0.931,462 2,464 -1,465 -1.685,467 -3,468 -1,469 10.7,470 0.486,471 0.632,472 0.029,473 26,474 1.182,475 12.5,476 0.568,477 13.5,478 0.614,479 18.837,480 0.856,481 25.3,482 0.649,483 18.596,484 0.845,485 4.801,486 0.218,487 5.652,488 0.257,489 0.187,490 0.078,491 0.234,496 0.562,497 1.544,498 0.76,499 1.338,500 0.638,501 1.036,502 0.622,503 0.984,504 0.712,505 0.827,506 0.503,507 0.865,508 1.138,509 0.994,510 0.884,511 0.857,512 1.026,513 0.818,514 1.333,515 1.227,516 1.272,517 1.225,518 1.443,519 1.072,520 1.63,521 0.89,522 1.196,523 0.96,524 1.935,525 1.027,526 0.968,527 0.995,528 1.093,529 1.084,530 1.043,531 1.154,532 0.361,533 0.858,534 0.735,535 0.818,536 0.278,537 0.957,538 0.689,539 0.912,540 0.987,541 1.002,542 0.54,543 0.922,544 5,545 0.089,546 3.111,547 2.25,548 1.292,549 0.702,550 0.32,551 0.178,552 0.212,553 0.12,554 4592,555 16668,556 1.933,557 43.6,558 3,559 6,562 1,563 2,564 5,567 1.643,568 1.772,569 3.18,570 -0.13,571 1,572 1,574 1,575 73.783,576 1.892,577 3.662,578 4.683,579 4.785,580 4.785,581 4.785,582 2.659,583 4.278,584 4.426,585 3.392,586 783.635,587 7.598,588 8752.59,589 1,590 1,592 1,593 206.131,594 1.674,595 4.355,596 0.217,597 0.007,598 0.097,599 0.07,600 0.039,601 0.028,602 0.02,603 0.01,604 0.014,605 0.007,606 0.512,607 0.33,608 1,609 2.31,610 101.831,611 0.083,612 -0.31,613 0.217,614 -0.182,615 -0.111,616 -0.024,617 0.268,618 0.064,619 0.124,620 0.104,621 0.266,622 0.092,623 -0.163,624 -0.005,625 0.092,626 0.145,627 -0.107,628 0.167,629 -0.175,630 -0.148,631 -0.094,632 -0.076,633 -0.1,634 -0.114,635 -0.244,636 0.079,637 -0.201,638 -0.034,639 -0.281,640 -0.149,641 -0.13,642 -0.062,643 -0.137,644 -0.131,645 -0.173,646 -0.153,647 0.468,648 0.025,649 0.112,650 0.029,651 0.478,652 0.034,653 0.006,654 0.032,655 0.028,656 -0.015,657 0.037,658 0.115,659 4.612,660 5.445,661 0.409,662 18.132,663 1.024,664 1.13,665 0.912,666 0.831,667 0.678,668 3.178,669 3.497,670 3.714,671 3.97,672 4.025,673 4.025,674 4.078,675 4.007,676 3.807,677 3.714,678 5.787,679 0.641,680 343.47,681 3.178,682 4.71,683 5.541,684 6.431,685 7.291,686 8.192,687 9.067,688 9.974,689 10.858,690 11.769,691 7.7,693 1,701 2,708 2,709 2,710 2,713 1,714 2,716 10,738 39,739 13,740 1,741 23,743 40,744 13,745 6,746 4,747 2,752 2,753 3,759 2,766 2,768 7,769 6,772 3,776 1,778 3,782 1,785 1,786 1,789 17,790 7,791 1,792 9,793 2,797 3,803 0.5,804 4,822 1,823 1,826 1,841 1,855 1,857 2,859 2,862 22,866 1,869 4,871 1,872 1,886 10.3,889 3,891 1,893 12.417,894 7.567,895 4.958,896 2.438,898 2.217,899 1.346,900 0.945,901 5.702,902 8.629,903 3.466,904 4.099,905 4.616,906 5.243,907 5.664,908 5.97,909 6.332,910 6.536,911 6.276,912 6.42,913 1,914 32,915 8.406,917 3.757,918 8.14,919 15.206,921 12.152,924 2.64,925 58.083,929 188.338,930 101.22,931 46.357,933 80.458,935 36.634,936 64.586,937 268.795,938 46.357,939 17.65,940 11.767,941 41.165,942 106.601,943 20.024,945 219.164,947 188.338,948 110.943,949 80.458,950 36.634,952 129.482,953 139.313,956 50.111,957 30.88,958 35.759,959 30.826,960 188.338,961 126.815,962 101.22,964 5.807,965 188.338,966 58.809,967 36.603,968 16.405,969 110.41,970 188.338,971 126.815,972 101.22,973 0.575,974 0.33,975 0.179,976 0.082,977 14,978 7,979 0.2,980 8,981 1,982 1.222,983 3.338,984 162.042,985 0.222,986 9,987 96.107,989 1,992 1,993 17.1,994 7.337,995 4.151,996 0.936,997 126.815,998 3.449,999 8.115,1002 0.976,1003 0.757,1005 16.405,1006 416.372,1007 31,1011 -3.696,1013 36.105,1017 -0.33,1020 39.953,1021 44.079,1022 0.358,1023 0.693,1024 0.886,1025 0.905,1026 0.905,1027 0.905,1028 4.696,1029 1.016,1030 5.572,1031 2.475,1032 4.174,1033 4.783,1034 2.402,1035 6.454,1036 4.081,1037 5.95,1038 0.523,1039 7.185,1040 1.753,1041 4.007,1042 5.027,1043 2.243,1044 7.801,1045 3.836,1046 7.324,1047 0.33,1048 8.925,1049 1.31,1050 5.878,1051 7.195,1052 3.841,1053 10.876,1054 5.656,1055 8.75,1056 -0.126,1057 10.745,1058 0.675,1059 6.553,1060 8.264,1061 4.269,1062 13.059,1063 6.221,1064 10.216,1065 -0.539,1066 12.618,1067 -0.327,1068 7.967,1069 10.004,1070 5.486,1071 15.779,1072 7.582,1073 11.71,1074 -0.749,1075 14.528,1076 -0.849,1077 8.987,1078 11.381,1079 6.158,1080 18.237,1081 8.485,1082 13.226,1083 -0.831,1084 16.463,1085 -1.726,1086 10.266,1087 12.998,1088 7.208,1089 20.867,1090 9.696,1091 3.501,1092 -1,1093 18.418,1094 -2.24,1095 11.422,1096 14.491,1097 7.992,1098 23.416,1099 10.743,1100 2.794,1101 13.452,1102 20.386,1103 -3,1104 12.667,1105 16.073,1106 8.963,1107 26.022,1108 11.909,1109 2.37,1110 9.261,1111 22.366,1112 4.888,1113 13.876,1114 17.612,1115 9.802,1116 28.603,1117 13.017,1118 2.167,1119 6.521,1120 24.353,1121 4.164,1122 15.117,1123 19.185,1124 10.734,1125 31.203,1126 14.173,1127 1.615,1128 6.064,1129 26.347,1130 3.012,1131 16.349,1132 20.744,1133 11.599,1134 33.795,1135 15.31,1136 1.452,1137 4.53,1138 28.346,1139 2.825,1140 17.592,1141 22.318,1142 12.512,1143 36.394,1144 16.466,1145 1.112,1146 3.049,1147 30.349,1148 2.367,1149 18.833,1150 23.887,1151 13.391,1152 38.99,1153 17.616,1154 4746,1155 9214,1156 14.504,1157 26.46,1158 33.73,1159 35.633,1160 35.557,1161 33.764,1162 33.761,1163 45.202,1164 5.458,1165 98.178,1166 32.312,1167 5.893,1168 6.727,1169 7.305,1170 5.507,1171 5.501,1172 7.888,1173 4.174,1174 21.397,1175 5.221,1176 12.824,1177 1.467,1178 1.549,1179 1.546,1180 1.468,1181 1.468,1182 1.965,1183 0.237,1184 4.269,1185 1.405,1186 4.147,1187 4.139,1188 4.746,1189 4.127,1190 7.717,1191 4.061,1192 3.788,1193 3.812,1194 4.196,1195 3.689,1196 7.432,1197 3.619,1198 3.662,1199 3.656,1200 3.605,1201 3.496,1202 6.999,1203 3.471,1204 3.441,1205 3.503,1206 3.52,1207 3.28,1208 5.034,1209 3.244,1210 3.359,1211 3.414,1212 3.256,1213 3.243,1214 4.469,1215 3.207,1216 3.112,1217 3.149,1218 2.972,1219 2.87,1220 4.315,1221 2.879,1222 2.935,1223 3.009,1224 2.864,1225 2.797,1226 4.111,1227 2.744,1228 2.603,1229 2.695,1230 2.54,1231 2.331,1232 3.841,1233 2.301,1234 0.215,1235 0.206,1236 0.327,1237 0.192,1238 0.152,1239 4.953,1240 0.213,1241 4.727,1242 0.106,1243 7.528,1244 0.585,1245 4.427,1246 0.14,1247 3.501,1248 4.888,1249 2.443,1250 13.452,1251 3.221,1252 1.991,1253 1.998,1254 2.003,1255 2.056,1256 1.274,1257 2.087,1258 1.692,1259 1.65,1260 1.91,1261 1.892,1262 1.186,1263 1.899,1264 1.498,1265 1.489,1266 1.793,1267 1.74,1268 0.937,1269 1.76,1270 1.4,1271 1.36,1272 1.525,1273 1.58,1274 0.683,1275 1.623,1276 1.225,1277 1.155,1278 1.417,1279 1.432,1280 0.601,1281 1.47,1282 1.054,1283 1.012,1284 1.105,1285 1.301,1286 0.431,1287 1.31,1288 0.914,1289 0.914,1290 1.01,1291 1.097,1292 0.115,1293 1.123,1294 0.685,1295 0.621,1296 0.89,1297 0.91,1298 0.029,1299 0.943,1300 3.85,1302 5.165,1303 2.398,1304 6.673,1305 4.595,1306 8.288,1307 6.605,1308 9.967,1310 3.442,1315 1.039,1317 2.497,1318 4.792,1326 24.985,1327 73.783,1328 142.828,1329 182.621,1330 186.621,1331 186.621,1332 186.621,1333 59.519,1334 6.412,1335 98.25,1336 134.87,1337 11,1338 12.289,1339 3.807,1340 3.17,1341 42.426,1342 73,1343 94,1344 0.28,1345 164.677,1346 278.92,1347 393.571,1348 4378,1350 16.165,1351 0.735,1352 0.635,1353 16.768,1354 13.96,1355 10.454,1356 0.455,1357 0.393,1358 6.897,1359 8.715,1360 6.514,1361 5.429,1362 11.775,1363 9.039,1364 9.563,1365 0.299,1366 0.215,1367 11.315,1368 6.882,1369 7.237,1370 0.181,1371 0.13,1372 8.904,1373 5.182,1374 6.202,1375 0.119,1376 0.078,1377 8.118,1378 4.067,1379 4.101,1380 0.075,1381 0.048,1382 5.672,1383 2.615,1384 0.439,1385 79.753,1386 0.263,1387 21.83,1388 0.767,1389 110,1390 420.286,1391 180.881,1392 435.204,1393 573.52,1394 398,1395 127,1396 365.935,1397 206.226,1398 419.47,1399 603.97,1400 391,1401 4.273}
{0 CHEMBL1566835,1 1.71,2 6.438,3 1.562,4 2.439,5 54.278,6 8.928,7 0.353,8 3.39,9 3.451,10 3.092,11 2.794,12 4.712,13 2.862,14 3.877,15 3.97,16 3.397,17 3.108,18 5.364,19 3.184,20 3.86,21 3.963,22 3.299,23 3.164,24 5.127,25 3.193,26 3.923,27 4.045,28 3.214,29 3.127,30 5.14,31 3.125,32 3.943,33 4.132,34 3.149,35 2.978,36 5.152,37 2.974,38 3.856,39 4.017,40 3.021,41 2.686,42 5.315,43 2.75,44 3.563,45 3.738,46 2.658,47 2.268,48 5.102,49 2.338,50 3.176,51 3.398,52 2.097,53 1.609,54 4.828,55 1.711,56 0.221,57 0.333,58 3.563,59 2.248,60 8.837,61 2.221,62 0.612,63 0.469,64 8.72,65 3.428,66 50.35,67 3.244,68 0.419,69 0.499,70 7.385,71 3.724,72 29.944,73 3.69,74 0.516,75 0.511,76 8.465,77 3.887,78 35.066,79 4.149,80 0.537,81 0.493,82 10.902,83 3.749,84 32.988,85 4.895,86 0.711,87 0.39,88 10.874,89 2.81,90 55.413,91 3.212,92 0.565,93 0.279,94 8.348,95 1.843,96 47.568,97 2.216,98 0.481,99 0.149,100 7.36,101 1.149,102 63.66,103 1.532,104 16,105 23,106 0.342,107 0.664,108 0.811,109 0.843,110 0.859,111 0.859,112 2.853,113 0.794,114 -2.52,115 -2.54,116 -2.48,120 40,125 1,127 1,136 1,138 1,143 2,144 1,145 3,167 2,174 2,176 2,177 5,185 2,189 8,197 2,200 1,201 5,213 2,214 4,226 3,227 2,239 3,251 2,274 264,275 10.732,276 10.732,277 10.732,278 10.732,279 10.732,280 9.526,281 14.286,282 6.379,283 11.102,284 8.336,285 8.336,286 8.336,287 8.336,288 8.336,289 6.356,290 15.507,291 2.954,292 8.813,293 2.934,294 1.325,295 0.59,296 0.43,297 0.35,298 0.35,299 3.501,306 1,307 1,308 212,309 2.828,312 34.917,313 38.081,316 60.799,320 1.063,321 22.749,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 37.5,333 103,334 4.415,335 3.674,336 6.361,337 4.008,338 3.05,339 4.103,340 2.612,341 9.827,342 2.919,343 3.929,344 3.359,345 5.878,346 3.477,347 2.531,348 3.47,349 1.392,350 8.111,351 2.385,352 3.752,353 2.894,354 4.76,355 3.142,356 2.184,357 3.132,358 0.86,359 5.326,360 2.087,361 3.121,362 2.106,363 4.593,364 2.699,365 1.749,366 2.315,367 0.532,368 4.914,369 1.651,370 2.553,371 1.797,372 3.886,373 2.119,374 1.13,375 1.394,377 2.861,378 1.118,379 2.218,380 1.686,381 3.458,382 2.029,383 1.123,384 1.2,386 2.468,387 1.006,388 1.946,389 1,390 2.903,391 1.408,392 0.453,393 0.665,395 0.956,396 0.429,397 1.412,398 0.935,399 2.735,400 1.152,401 0.264,402 0.299,404 0.451,405 0.233,406 1,407 0.742,408 2.517,409 0.412,410 -0.56,411 -0.682,413 -1.334,414 -0.538,415 0.758,416 -0.1,417 1.926,418 0.229,419 -0.714,420 -0.896,422 -1.934,423 -0.663,424 0.579,425 -0.352,426 1.568,428 -1,429 -1.466,431 -2,432 -1,433 0.07,434 -0.736,435 1.538,436 -0.246,437 -1.215,438 -1.71,440 -3.231,441 -1.17,442 -0.407,443 -0.925,444 1.197,445 -0.68,446 -1.563,447 -1.972,448 -0.532,449 -3.917,450 -1.374,451 -0.437,452 -1.23,453 1,454 -0.715,455 -1.611,456 -2,457 -0.612,458 -4.838,459 -1.454,460 -0.5,461 -1.476,462 0.703,463 -0.917,464 -1.857,465 -2.279,466 -0.86,467 -5.327,468 -1.739,469 7.067,470 0.442,471 0.383,472 0.024,473 22.75,474 1.422,475 12,476 0.75,477 10.75,478 0.672,479 8.196,480 0.512,481 18.133,482 0.725,483 14.767,484 0.923,485 4.888,486 0.305,487 2.815,488 0.176,489 0.165,491 0.34,496 0.661,497 1.232,498 0.591,499 1.212,500 0.549,501 0.967,502 1.081,503 0.758,504 0.831,505 0.732,506 0.506,507 0.68,508 0.97,509 1.127,510 0.971,511 1.168,512 0.718,513 1.096,514 0.873,515 1.285,516 1.118,517 1.318,518 0.735,519 1.338,520 0.638,521 1.205,522 0.817,523 1.214,524 0.561,525 1.13,526 1.191,527 0.96,528 1.136,529 0.909,530 1.17,531 0.976,532 1.172,533 0.901,534 1.238,535 0.897,536 1.45,537 1.03,538 1.368,539 0.217,540 1.102,541 0.217,542 2.758,543 0.433,544 3.5,546 1.778,547 0.819,548 0.879,549 0.479,550 0.314,551 0.14,552 0.063,554 1794,555 7842,556 1.993,557 36,559 6,560 3,567 1.554,568 1.846,569 2.748,570 -0.612,574 1,575 42.738,576 1.71,577 3.319,578 4.054,579 4.214,580 4.294,581 4.294,582 2.203,583 3.875,584 3.969,585 2.866,586 343.895,587 6.699,588 2974.27,590 1,593 116.096,594 1.477,595 3.918,596 0.206,598 0.077,599 0.039,600 0.049,601 0.03,602 0.024,603 0.017,604 0.016,606 0.458,607 0.67,608 1,609 1.578,610 63.915,611 0.075,612 -0.058,613 0.077,614 -0.139,615 -0.026,616 -0.073,617 -0.08,618 0.251,619 0.033,620 0.283,621 0.187,622 0.235,623 -0.189,624 -0.072,625 -0.191,626 -0.104,627 -0.088,628 -0.135,629 -0.067,630 -0.281,631 -0.277,632 -0.285,633 -0.112,634 -0.36,635 0.144,636 -0.267,637 0.19,638 -0.247,639 0.089,640 -0.072,641 -0.054,642 -0.091,643 -0.037,644 -0.04,645 -0.018,646 -0.037,647 0.013,648 -0.026,649 -0.089,650 -0.096,651 0.004,652 -0.121,653 0.036,654 0.478,655 0.306,656 0.528,657 -0.297,658 0.559,659 2.538,660 3.228,661 0.563,662 10.063,663 1.051,664 1.128,665 1.287,666 1.656,667 0.653,668 2.89,669 3.178,670 3.401,671 3.638,672 3.807,673 3.871,674 3.871,675 3.784,676 3.367,677 2.996,678 4.185,679 0.668,680 223.2,681 2.89,682 4.394,683 5.22,684 6.084,685 6.94,686 7.812,687 8.679,688 9.555,689 10.427,690 11.304,691 4,703 1,709 2,714 4,716 6,735 3,738 25,739 9,740 1,741 17,743 26,744 10,745 6,746 4,747 2,748 2,752 2,753 3,768 8,769 2,772 3,775 1,778 2,780 2,786 1,789 9,790 5,792 6,797 1,803 0.5,804 5,822 1,823 1,826 1,845 1,850 1,855 1,859 1,862 16,869 1,872 3,886 20,891 3,892 2,893 8.667,894 4.867,895 3.639,896 1.244,898 1.851,899 1.312,900 0.912,901 3.077,902 7.775,903 3.178,904 3.75,905 4.238,906 4.735,907 5.281,908 5.548,909 5.763,910 5.919,911 5.856,912 5.515,913 1,914 21,915 5.825,916 0.001,917 2.398,918 8.292,919 10.517,921 7.966,924 2.792,925 44.667,926 0.001,929 105.94,930 73.925,931 5.67,933 83.747,936 73.925,937 189.686,938 5.67,939 16.553,940 15.698,941 28.429,943 51.916,944 35.313,945 70.627,946 50.747,947 105.94,948 79.595,949 83.747,952 105.94,953 33,954 50.747,956 6.65,957 63.469,958 9.476,960 105.94,961 89.417,962 73.925,965 105.94,966 25.566,967 54.029,969 83.747,970 105.94,971 89.417,972 73.925,973 0.569,974 0.32,975 0.172,976 0.096,977 11,978 5,979 0.115,980 3,981 1,982 1.222,983 2.815,984 104.34,985 0.222,986 9,987 62,993 10.918,994 4.509,995 2.341,997 83.747,998 3.281,1003 2.213,1006 269.282,1007 23,1010 -0.538,1013 20.456,1015 2.195,1020 26.273,1021 28.206,1022 0.368,1023 0.715,1024 0.873,1025 0.907,1026 0.925,1027 0.925,1028 4.388,1029 0.264,1030 5.198,1031 0.956,1032 3.85,1033 4.431,1034 2.897,1035 5.979,1036 3.749,1037 5.596,1038 -0.56,1039 6.739,1040 0.451,1041 3.434,1042 4.369,1043 2.361,1044 6.843,1045 3.288,1046 6.907,1047 -0.714,1048 8.38,1049 -1.334,1050 5.407,1051 6.63,1052 4.283,1053 9.899,1054 5.215,1055 8.256,1056 -1,1057 10.078,1058 -1.934,1059 5.802,1060 7.34,1061 4.506,1062 11.578,1063 5.552,1064 9.633,1065 -1.215,1066 11.813,1067 -2,1068 7.251,1069 9.098,1070 5.987,1071 14.142,1072 6.972,1073 11.028,1074 -1.563,1075 13.574,1076 -3.231,1077 8.019,1078 10.142,1079 6.556,1080 16.154,1081 7.68,1082 12.437,1083 -1.611,1084 15.352,1085 -3.917,1086 9.258,1087 11.705,1088 7.806,1089 18.542,1090 8.892,1091 3.05,1092 -1.857,1093 17.144,1094 -4.838,1095 10.205,1096 12.914,1097 8.548,1098 20.696,1099 9.781,1100 2.531,1101 9.827,1102 18.945,1103 -5.327,1104 11.359,1105 14.391,1106 9.673,1107 23.016,1108 10.905,1109 2.184,1110 8.111,1111 20.754,1112 4.103,1113 12.39,1114 15.686,1115 10.509,1116 25.236,1117 11.884,1118 1.749,1119 5.326,1120 22.568,1121 3.47,1122 13.513,1123 17.124,1124 11.564,1125 27.529,1126 12.972,1127 1.13,1128 4.914,1129 24.387,1130 3.132,1131 14.585,1132 18.468,1133 12.452,1134 29.779,1135 13.996,1136 1.123,1137 2.861,1138 26.21,1139 2.315,1140 15.696,1141 19.888,1142 13.468,1143 32.064,1144 15.07,1145 0.453,1146 2.468,1147 28.035,1148 1.394,1149 16.788,1150 21.26,1151 14.386,1152 34.329,1153 16.116,1154 1887,1155 4026,1156 11.038,1157 16.324,1158 25.043,1159 26.263,1160 25.852,1161 24.918,1162 24.97,1163 33.155,1164 10.791,1165 69.828,1166 23.654,1167 5.233,1168 5.674,1169 5.896,1170 5.028,1171 5.05,1172 7.103,1173 4.612,1174 16.54,1175 4.919,1176 8.128,1177 1.473,1178 1.545,1179 1.521,1180 1.466,1181 1.469,1182 1.95,1183 0.635,1184 4.108,1185 1.391,1186 3.994,1187 4.002,1188 3.96,1189 3.883,1190 7.816,1191 3.897,1192 3.744,1193 3.765,1194 3.719,1195 3.401,1196 6.999,1197 3.458,1198 3.376,1199 3.397,1200 3.288,1201 3.046,1202 5.028,1203 3.099,1204 3.162,1205 3.222,1206 2.997,1207 2.862,1208 4.66,1209 2.888,1210 2.911,1211 2.965,1212 2.746,1213 2.693,1214 4.265,1215 2.7,1216 2.727,1217 2.783,1218 2.58,1219 2.493,1220 3.939,1221 2.522,1222 2.342,1223 2.393,1224 2.185,1225 2.148,1226 3.833,1227 2.164,1228 1.717,1229 1.78,1230 1.647,1231 1.2,1232 3.28,1233 1.251,1234 0.26,1235 0.216,1236 0.374,1237 0.236,1238 0.179,1239 4.415,1240 0.241,1241 3.674,1242 0.154,1243 6.361,1244 0.578,1245 4.008,1246 0.172,1247 3.05,1248 4.103,1249 2.612,1250 9.827,1251 2.919,1252 1.89,1253 1.879,1254 1.963,1255 2.033,1256 1.096,1257 1.996,1258 1.497,1259 1.465,1260 1.62,1261 1.862,1262 0.593,1263 1.774,1264 1.194,1265 1.142,1266 1.549,1267 1.527,1268 0.571,1269 1.522,1270 1.147,1271 1.095,1272 1.436,1273 1.494,1274 0.558,1275 1.481,1276 0.857,1277 0.835,1278 1.053,1279 1.185,1280 0.115,1281 1.145,1282 0.712,1283 0.654,1284 0.892,1285 0.914,1287 0.944,1288 0.376,1289 0.344,1290 0.54,1291 0.662,1293 0.633,1296 0.3,1297 0.114,1299 0.195,1300 3.555,1302 4.844,1303 2.398,1304 6.323,1305 4.595,1306 7.899,1307 6.581,1308 9.535,1310 1.487,1315 0.154,1318 15.419,1326 16.703,1327 42.738,1328 82.977,1329 101.342,1330 105.342,1331 107.342,1332 107.342,1333 22.417,1334 5.924,1335 73.51,1336 73.51,1337 11,1338 11.843,1339 3.322,1340 2.807,1341 25.87,1342 39,1343 38,1344 0.339,1345 104.046,1346 187.69,1347 245.631,1348 2186,1350 11.544,1351 0.721,1352 0.532,1353 11.544,1354 8.505,1355 7.703,1356 0.453,1357 0.265,1358 4.344,1359 7.039,1360 4.259,1361 3.543,1362 7.703,1363 4.498,1364 6.822,1365 0.297,1366 0.133,1367 6.822,1368 3.049,1369 5.333,1370 0.184,1371 0.072,1372 5.333,1373 2.101,1374 4.298,1375 0.116,1376 0.037,1377 4.298,1378 1.387,1379 3.319,1380 0.075,1381 0.02,1382 3.319,1383 0.858,1384 0.506,1385 51.084,1386 0.301,1387 16.017,1388 0.999,1389 80,1390 372.323,1391 96.029,1392 334.797,1393 435.2,1394 310,1395 92,1396 308.467,1397 107.231,1398 301.759,1399 432.82,1400 278,1401 5.068}
{0 CHEMBL1566928,1 1.786,2 7.056,3 3.581,4 12.824,5 77.799,6 10.665,7 0.316,8 3.531,9 3.622,10 3.408,11 3.142,12 4.64,13 3.101,14 4.062,15 4.221,16 3.866,17 3.517,18 5.194,19 3.457,20 4.279,21 4.453,22 4.408,23 3.698,24 5.43,25 3.625,26 4.261,27 4.414,28 3.956,29 3.671,30 5.465,31 3.555,32 4.354,33 4.6,34 3.619,35 3.558,36 5.281,37 3.368,38 4.172,39 4.446,40 3.306,41 3.212,42 5.085,43 3.041,44 3.709,45 3.891,46 3.232,47 2.938,48 4.749,49 2.834,50 3.566,51 3.702,52 3.32,53 2.919,54 4.879,55 2.728,56 0.046,57 0.392,58 2.428,59 2.792,60 4.31,61 3.329,62 0.248,63 0.647,64 9.956,65 4.98,66 20.042,67 5.916,68 0.381,69 0.763,70 30.781,71 6.807,72 25.612,73 7.295,74 0.355,75 0.73,76 12.688,77 6.668,78 32.512,79 7.97,80 0.287,81 0.788,82 27.273,83 8.339,84 32.015,85 10.36,86 0.4,87 0.628,88 30.522,89 6.971,90 32.609,91 8.323,92 0.253,93 0.381,94 9.88,95 3.672,96 21.883,97 3.973,98 0.209,99 0.289,100 11.383,101 3.734,102 29.029,103 3.779,104 31,105 27,106 0.343,107 0.662,108 0.751,109 0.781,110 0.781,111 0.781,112 2.961,113 1.093,114 -5.26,115 -5.14,116 -4.81,118 1,120 41.9,121 2,126 2,139 2,143 3,144 1,145 2,159 1,174 2,176 1,177 6,185 4,189 4,197 4,200 1,201 6,209 8,214 1,222 4,226 1,227 4,235 2,240 1,252 2,260 2,271 2,274 312,275 11.947,276 11.947,277 11.947,278 11.947,279 11.947,280 10.805,281 16.379,282 6.72,283 12.422,284 9.162,285 9.162,286 9.162,287 9.162,288 9.162,289 7.39,290 22.045,291 2.945,292 10.012,293 3.168,294 1.507,295 1.041,296 0.887,297 0.887,298 0.887,299 3.609,303 1,305 1,306 1,307 1,308 257,309 2.828,313 84.617,317 72.576,320 1.173,321 18.035,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 38.583,333 127,334 4.55,335 3.839,336 6.71,337 4.117,338 3.189,339 4.168,340 1.674,341 10.75,342 2.945,343 4.073,344 3.159,345 6.144,346 3.723,347 2.796,348 3.512,349 0.8,350 8.982,351 2.561,352 3.645,353 3.027,354 5.792,355 3.288,356 2.342,357 2.893,359 7.549,360 2.169,361 3.335,362 2.683,363 5.179,364 2.893,365 2.013,366 2.473,368 6.002,369 1.705,370 2.776,371 1.904,372 4.327,373 2.463,374 1.505,375 1.834,377 3.899,378 1.432,379 2.604,380 1.696,381 3.921,382 2.072,383 1.113,384 1.586,386 2.88,387 1.002,388 1.618,389 1.346,390 3.18,391 1.591,392 0.618,393 0.618,395 0.931,396 0.6,397 1.618,398 0.744,399 2.817,400 1.135,401 0.412,402 0.454,404 0.791,405 0.207,406 1.215,407 0.71,408 2.618,409 0.798,410 -0.065,411 -0.077,413 -0.132,414 -0.053,415 0.958,416 0.071,417 2.53,418 0.728,419 -0.238,420 -0.271,422 -0.428,423 -0.221,424 0.528,425 -0.219,426 2.119,427 0.193,428 -0.745,429 -0.906,431 -1.754,432 -0.648,433 0.482,434 -0.636,435 1.728,436 -0.003,437 -1,438 -1.392,440 -2.854,441 -0.719,443 -0.665,444 1.608,445 -0.562,446 -1.29,447 -1.564,449 -3.293,450 -0.988,451 -0.22,452 -1.171,453 1.316,454 -0.691,455 -1.513,456 -1.618,458 -3.791,459 -1.319,460 -0.481,461 -1.268,462 1.21,463 -0.705,464 -1.616,465 -1.691,467 -4.735,468 -1.493,469 9.614,470 0.534,471 0.507,472 0.028,473 21.25,474 1.181,475 10,476 0.556,477 11.25,478 0.625,479 16.705,480 0.928,481 19.186,482 0.619,483 12.136,484 0.674,485 3.825,486 0.213,487 4.754,488 0.264,489 0.352,491 0.354,496 0.676,497 1.347,498 0.474,499 0.816,500 0.561,501 0.858,502 0.708,503 1.035,504 0.529,505 0.642,506 0.472,507 0.686,508 0.861,509 0.799,510 0.653,511 0.681,512 0.625,513 0.62,514 0.588,515 1.175,516 0.557,517 0.986,518 0.572,519 1.115,520 0.658,521 1.089,522 0.662,523 0.939,524 0.698,525 1.043,526 0.828,527 0.773,528 0.733,529 0.766,530 0.732,531 0.789,532 1.516,533 0.93,534 0.514,535 0.732,536 1.359,537 0.905,538 1.848,539 1.167,540 1.252,541 1.288,542 2.625,543 1.426,544 4,546 2.889,547 1.625,548 1.329,549 0.549,550 0.445,551 0.274,552 0.09,554 2297,555 8106,556 1.931,557 41.9,559 7,564 6,567 1.591,568 1.742,569 2.843,570 -0.709,572 1,574 1,575 55.369,576 1.786,577 3.447,578 3.913,579 4.067,580 4.067,581 4.067,582 2.288,583 3.572,584 4.141,585 2.941,586 449.965,587 7.047,588 4143.79,589 1,590 1,591 1,592 1,593 153.58,594 1.572,595 4.056,596 0.211,598 0.107,599 0.052,600 0.053,601 0.032,602 0.034,603 0.025,604 0.011,606 0.526,607 0.67,608 1,609 1.329,610 74.872,611 -0.026,612 -0.225,613 0.002,614 -0.069,615 -0.05,616 -0.034,617 0.118,618 0.069,619 0.064,620 0.162,621 0.16,622 0.187,623 0.093,624 0.271,625 0.233,626 0.233,627 0.139,628 0.3,629 0.231,630 -0.182,631 0.019,632 -0.158,633 0.194,634 -0.201,635 0.033,636 -0.169,637 0.031,638 -0.04,639 -0.004,640 -0.023,641 0.109,642 0.136,643 0.052,644 0.169,645 0.081,646 0.244,647 -0.23,648 0.001,649 0.041,650 0.108,651 -0.205,652 0.003,653 -0.438,654 -0.316,655 -0.159,656 -0.247,657 -0.421,658 -0.466,659 2.121,660 4.562,661 0.556,662 11.704,663 1.016,664 1.116,665 4.026,666 16.208,667 0.724,668 2.996,669 3.332,670 3.638,671 3.829,672 4.025,673 4.127,674 4.19,675 4.19,676 4.025,677 3.584,678 4.363,679 0.677,680 330.62,681 2.996,682 4.533,683 5.398,684 6.282,685 7.165,686 8.056,687 8.944,688 9.839,689 10.729,690 11.626,691 3.2,697 1,709 3,714 3,716 6,732 1,738 31,739 8,740 1,741 19,742 1,743 32,744 13,745 6,746 3,747 3,748 3,749 2,752 2,753 3,754 1,759 2,768 9,769 4,771 2,772 2,778 1,782 3,785 1,786 1,789 13,790 3,792 5,793 2,797 1,803 0.5,804 2,823 2,827 1,841 1,845 2,855 1,858 1,859 2,860 1,862 18,869 2,872 1,875 1,885 2,886 6.5,889 1,891 1,893 10.333,894 6.319,895 4.139,896 2.141,898 1.713,899 1.275,900 0.953,901 4.226,902 7.938,903 3.219,904 3.795,905 4.36,906 4.867,907 5.382,908 5.691,909 5.998,910 6.227,911 6.254,912 5.872,913 0.8,914 31,915 6.635,917 2.75,918 7.853,919 12.532,921 9.918,924 2.353,925 42.361,926 0.001,929 153.024,930 75.223,931 49.078,932 39.149,933 36.145,936 121.177,937 228.318,938 3.124,939 17.65,940 4.211,941 28.429,942 38.892,943 25.31,945 153.024,946 85.103,947 153.024,948 78.348,949 36.145,950 39.149,951 45.954,952 82.398,953 106.771,956 21.862,957 49.93,958 45.704,959 45.954,960 153.024,961 39.269,962 160.326,965 153.024,966 29.144,967 49.203,968 45.954,969 75.293,970 153.024,971 39.269,972 160.326,973 0.584,974 0.374,975 0.188,976 0.09,977 13,978 7,979 0.094,980 3,981 1,982 1.2,983 2.858,984 128.252,985 0.2,986 10,987 71.059,993 13.749,994 5.532,995 2.55,997 39.269,998 5.703,1003 2.269,1006 352.62,1007 24,1013 11.562,1017 0.212,1020 31.494,1021 34.609,1022 0.361,1023 0.696,1024 0.79,1025 0.821,1026 0.821,1027 0.821,1028 4.472,1029 0.412,1030 5.416,1031 0.931,1032 4.007,1033 4.477,1034 2.024,1035 6.275,1036 3.834,1037 5.695,1038 -0.065,1039 7.024,1040 0.791,1041 3.761,1042 4.425,1043 0.325,1044 7.29,1045 3.451,1046 7.029,1047 -0.238,1048 8.729,1049 -0.132,1050 5.659,1051 6.662,1052 2.844,1053 10.381,1054 5.341,1055 8.398,1056 -0.745,1057 10.487,1058 -0.428,1059 6.196,1060 7.379,1061 0.268,1062 12.142,1063 5.727,1064 9.797,1065 -1,1066 12.276,1067 -1.754,1068 7.603,1069 9.144,1070 3.814,1071 14.779,1072 7.128,1073 11.215,1074 -1.29,1075 14.086,1076 -2.854,1077 8.477,1078 10.206,1079 0.188,1080 16.854,1081 7.867,1082 12.65,1083 -1.513,1084 15.91,1085 -3.293,1086 9.708,1087 11.783,1088 4.826,1089 19.328,1090 9.07,1091 3.189,1092 -1.616,1093 17.745,1094 -3.791,1095 10.73,1096 13.016,1097 0.125,1098 21.55,1099 9.976,1100 2.796,1101 10.75,1102 19.588,1103 -4.735,1104 11.899,1105 14.509,1106 5.851,1107 23.959,1108 11.097,1109 2.342,1110 8.982,1111 21.439,1112 4.168,1113 12.988,1114 15.83,1115 0.082,1116 26.253,1117 12.085,1118 2.013,1119 7.549,1120 23.295,1121 3.512,1122 14.137,1123 17.284,1124 6.88,1125 28.637,1126 13.172,1127 1.505,1128 6.002,1129 25.156,1130 2.893,1131 15.256,1132 18.652,1133 0.054,1134 30.966,1135 14.2,1136 1.113,1137 3.899,1138 27.021,1139 2.473,1140 16.4,1141 20.088,1142 7.91,1143 33.34,1144 15.275,1145 0.618,1146 2.88,1147 28.89,1148 1.834,1149 17.534,1150 21.481,1151 0.035,1152 35.69,1153 16.324,1154 2446,1155 4797,1156 11.849,1157 22.455,1158 28.228,1159 30.295,1160 30.717,1161 28.08,1162 27.976,1163 35.072,1164 4.949,1165 83.571,1166 25.239,1167 5.406,1168 5.839,1169 6.328,1170 5.207,1171 5.189,1172 7.168,1173 3.349,1174 18.262,1175 4.945,1176 11.086,1177 1.486,1178 1.594,1179 1.617,1180 1.478,1181 1.472,1182 1.846,1183 0.26,1184 4.398,1185 1.328,1186 4.001,1187 4.016,1188 6.881,1189 3.931,1190 7.433,1191 3.931,1192 3.669,1193 3.72,1194 4.001,1195 3.533,1196 4.933,1197 3.522,1198 3.42,1199 3.437,1200 3.652,1201 3.324,1202 4.604,1203 3.298,1204 3.306,1205 3.407,1206 3.366,1207 3.123,1208 4.283,1209 3.089,1210 2.98,1211 2.991,1212 3.193,1213 2.796,1214 4.084,1215 2.814,1216 2.735,1217 2.793,1218 3.04,1219 2.611,1220 3.892,1221 2.597,1222 2.655,1223 2.689,1224 2.673,1225 2.428,1226 3.693,1227 2.439,1228 2.382,1229 2.452,1230 2.595,1231 2.169,1232 3.492,1233 2.117,1234 0.239,1235 0.202,1236 0.353,1237 0.217,1238 0.168,1239 4.55,1240 0.219,1241 3.839,1242 0.088,1243 6.71,1244 0.566,1245 4.117,1246 0.155,1247 3.189,1248 4.168,1249 1.674,1250 10.75,1251 2.945,1252 1.944,1253 1.932,1254 2.021,1255 2.046,1256 1.205,1257 2.042,1258 1.623,1259 1.567,1260 1.849,1261 1.822,1262 1.031,1263 1.835,1264 1.368,1265 1.351,1266 1.725,1267 1.584,1268 0.869,1269 1.638,1270 1.351,1271 1.256,1272 1.354,1273 1.502,1274 0.551,1275 1.49,1276 0.904,1277 0.873,1278 1.149,1279 1.103,1280 0.226,1281 1.118,1282 0.694,1283 0.647,1284 1.048,1285 0.955,1286 0.162,1287 0.995,1288 0.533,1289 0.497,1290 0.9,1291 0.807,1292 0.058,1293 0.781,1294 0.348,1295 0.29,1296 0.718,1297 0.686,1299 0.769,1300 3.664,1302 4.99,1304 6.541,1306 8.192,1308 9.893,1309 3.126,1310 4.164,1311 6.11,1315 1.799,1318 5.24,1321 2.176,1326 20.991,1327 55.369,1328 106.851,1329 121.315,1330 126.07,1331 126.07,1332 126.07,1333 30.803,1334 6.225,1335 33.45,1336 33.45,1337 12,1338 12.151,1339 3.17,1340 2.585,1341 30.877,1342 48,1343 42,1344 0.346,1345 141.081,1346 247.71,1347 335.997,1348 3073,1349 6.5,1350 13.284,1351 0.738,1352 0.695,1353 14.784,1354 12.508,1355 8.579,1356 0.452,1357 0.364,1358 5.757,1359 7.533,1360 5.494,1361 4.564,1362 9.445,1363 6.92,1364 7.505,1365 0.278,1366 0.187,1367 8.505,1368 5.041,1369 6.874,1370 0.186,1371 0.115,1372 8.612,1373 4.246,1374 5.271,1375 0.117,1376 0.054,1377 6.038,1378 2.443,1379 3.768,1380 0.069,1381 0.026,1382 4.362,1383 1.409,1384 0.516,1385 64.989,1386 0.291,1387 17.613,1388 1.028,1389 92,1390 303.974,1391 182.337,1392 354.645,1393 460.55,1394 328,1395 110,1396 289.322,1397 186.83,1398 311.477,1399 464.42,1400 293,1401 5.56}
{0 CHEMBL1567793,1 1.613,2 9.429,3 2.894,4 8.375,5 77.429,6 9.222,7 0.478,8 3.64,9 3.689,10 3.434,11 3.239,12 4.845,13 3.229,14 4.155,15 4.239,16 3.779,17 3.576,18 5.411,19 3.557,20 4.3,21 4.415,22 3.765,23 3.529,24 5.622,25 3.527,26 4.174,27 4.286,28 3.527,29 3.386,30 5.519,31 3.389,32 4.14,33 4.294,34 3.386,35 3.311,36 5.526,37 3.257,38 3.981,39 4.142,40 3.391,41 3.193,42 5.282,43 3.15,44 3.862,45 3.993,46 3.306,47 3.106,48 5.242,49 3.081,50 3.759,51 3.886,52 3.163,53 3.071,54 5.063,55 2.989,56 0.121,57 0.398,58 4.536,59 3.358,60 10.128,61 3.143,62 0.44,63 0.664,64 11.663,65 5.792,66 33.039,67 5.073,68 0.64,69 0.759,70 17.196,71 6.674,72 46.139,73 6.043,74 0.448,75 0.648,76 10.9,77 5.34,78 43.988,79 4.774,80 0.593,81 0.652,82 15.446,83 5.853,84 74.231,85 5.797,86 0.461,87 0.557,88 12.113,89 4.905,90 33.224,91 5.293,92 0.427,93 0.482,94 9.96,95 4.188,96 45.263,97 3.847,98 0.389,99 0.455,100 11.075,101 4.271,102 45.164,103 3.75,104 5,105 31,106 0.298,107 0.633,108 0.778,109 0.854,110 0.865,111 0.877,112 3.102,113 0.946,114 -2.98,115 -2.98,116 -2.88,120 45.5,126 3,143 5,144 1,145 2,152 1,153 1,158 1,159 1,174 4,176 1,177 3,185 4,188 2,189 11,197 1,201 7,213 2,214 2,226 2,227 4,235 2,239 1,240 2,247 5,251 1,260 4,263 1,264 2,271 1,274 558,275 14.345,276 14.345,277 14.345,278 14.345,279 14.345,280 12.816,281 13.323,282 8.593,283 14.879,284 11.343,285 11.343,286 11.343,287 11.343,288 11.343,289 8.889,290 13.656,291 4.07,292 12.161,293 3.431,294 1.618,295 0.837,296 0.424,297 0.364,298 0.303,299 3.783,305 1,306 1,307 1,308 430,309 3.162,312 62.137,313 112.275,317 95.513,320 1.551,321 29.994,323 1,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 47,333 198,334 4.334,335 3.714,336 6.25,337 3.95,338 2.978,339 3.975,340 1.797,341 9.418,342 2.915,343 4.156,344 3.564,345 6.026,346 3.735,347 2.799,348 3.698,349 1.338,350 8.565,351 2.598,352 3.889,353 3.22,354 5.891,355 3.553,356 2.575,357 3.237,358 0.86,359 8.124,360 2.484,361 3.245,362 2.223,363 4.465,364 2.74,365 1.82,366 2.463,367 0.86,368 4.518,369 1.654,370 2.925,371 2.198,372 4.364,373 2.532,374 1.618,375 2.063,377 4.321,378 1.476,379 2.881,380 2.061,381 4.088,382 2.486,383 1.525,384 1.935,386 3.599,387 1.446,388 2.454,389 1.729,390 3.605,391 2.251,392 1.295,393 1.448,395 2.926,396 1.221,397 2.311,398 1.669,399 3.272,400 1.793,401 0.863,402 1.188,404 2,405 0.783,406 2.118,407 1.036,408 3.15,409 1.556,410 0.651,411 0.927,413 1.525,414 0.581,415 1.878,416 0.995,417 3,418 1.462,419 0.618,420 0.777,422 1.372,423 0.506,424 1.668,425 0.618,426 2.741,427 1.209,428 0.224,429 0.295,431 0.489,432 0.213,433 0.868,434 0.373,435 2.312,436 0.482,437 -0.473,438 -0.578,440 -1.126,441 -0.439,442 0.686,443 0.023,444 2.095,445 0.31,446 -0.618,447 -0.729,449 -1.599,450 -0.565,451 0.462,452 -0.284,453 2,454 0.051,455 -1,456 -1.261,458 -2.406,459 -1.005,460 0.163,461 -0.549,462 1.753,463 -0.123,464 -1.08,465 -1.409,467 -2.842,468 -1.043,469 10,470 0.476,471 0.435,472 0.021,473 27.5,474 1.31,475 14,476 0.667,477 13.5,478 0.643,479 13.962,480 0.665,481 22.4,482 0.679,483 18.573,484 0.884,485 5.599,486 0.267,487 4.639,488 0.221,489 0.067,491 0.3,496 0.755,497 1.058,498 0.65,499 0.949,500 0.568,501 0.853,502 1.083,503 0.955,504 0.946,505 0.929,506 0.687,507 0.876,508 1.081,509 1.052,510 0.988,511 1.086,512 0.976,513 0.985,514 1.387,515 1.148,516 0.895,517 0.975,518 1.547,519 1.116,520 1.024,521 0.941,522 1.075,523 0.955,524 1.044,525 1.014,526 0.708,527 0.95,528 0.688,529 0.896,530 0.829,531 0.919,532 1.244,533 0.819,534 0.874,535 0.747,536 1.795,537 0.824,538 1.157,539 0.893,540 1.394,541 1.034,542 1.473,543 1.005,544 3.5,545 0.041,546 2.667,547 0.84,548 0.966,549 0.538,550 0.291,551 0.193,552 0.136,553 0.096,554 4792,555 16280,556 2.102,557 36.4,559 11,560 1,567 1.627,568 2,569 3.25,570 -0.704,572 1,574 1,575 53.232,576 1.613,577 3.427,578 4.208,579 4.62,580 4.681,581 4.741,582 2.725,583 3.821,584 4.367,585 3.39,586 711.803,587 7.455,588 7716.02,589 1,590 1,591 1,592 1,593 166.465,594 1.268,595 4.338,596 0.152,597 0.004,598 0.086,599 0.029,600 0.04,601 0.027,602 0.015,603 0.011,604 0.009,605 0.007,606 0.381,607 0.33,608 1,609 0.532,610 96.04,611 -0.052,612 -0.088,613 0.059,614 -0.03,615 -0.046,616 -0.004,617 -0.097,618 0.027,619 -0.047,620 0.045,621 -0.021,622 0.01,623 0.018,624 -0.085,625 -0.036,626 -0.133,627 0.001,628 -0.061,629 -0.27,630 -0.226,631 -0.176,632 -0.173,633 -0.224,634 -0.246,635 0.025,636 0.019,637 -0.096,638 -0.008,639 0.139,640 -0.029,641 0.229,642 -0.002,643 0.232,644 0.017,645 0.145,646 0.085,647 -0.105,648 0.142,649 0.049,650 0.175,651 -0.212,652 0.112,653 -0.115,654 0.122,655 -0.22,656 0.076,657 -0.192,658 -0.026,659 2.157,660 5.034,661 0.714,662 15.891,663 1.031,664 1.105,665 1.751,666 3.065,667 0.712,668 3.178,669 3.466,670 3.714,671 3.892,672 4.025,673 4.025,674 4.043,675 4.06,676 4.127,677 3.97,678 5.726,679 0.695,680 304.34,681 3.178,682 4.691,683 5.525,684 6.375,685 7.223,686 8.076,687 8.928,688 9.782,689 10.636,690 11.49,709 6,713 1,714 4,716 11,721 1,726 1,735 2,738 33,739 13,740 1,741 23,743 35,744 15,745 10,746 3,747 3,748 2,752 3,753 4,768 12,769 3,772 2,778 2,782 2,785 1,786 1,789 12,790 5,792 6,793 1,803 0.667,804 5,822 1,823 2,827 1,855 2,857 1,862 21,869 3,872 3,880 1,886 15.2,889 2,891 3,893 10.5,894 6,895 4.667,896 1.868,898 1.853,899 1.28,900 0.969,901 4.318,902 8.463,903 3.45,904 3.984,905 4.518,906 4.976,907 5.305,908 5.468,909 5.569,910 5.596,911 5.805,912 5.772,913 1,914 29,915 7.789,917 3.345,918 8.016,919 14.438,921 11.569,924 2.516,925 52.833,929 141.253,930 127.441,933 83.29,935 31.278,936 96.163,937 224.543,940 13.777,941 55.03,942 62.615,943 46.672,944 13.13,945 160.76,947 141.253,948 96.163,949 83.29,950 31.278,952 141.253,953 83.29,956 13.777,957 82.386,959 31.278,960 141.253,961 83.29,962 127.441,965 141.253,966 72.41,967 55.03,969 83.29,970 141.253,971 83.29,972 127.441,973 0.576,974 0.339,975 0.173,976 0.085,977 15,978 6,979 0.143,980 5,981 1,982 1.133,983 3.459,984 154.647,985 0.133,986 15,987 92.239,989 1,993 14.233,994 6.371,995 3.309,997 83.29,998 10.109,1002 1.275,1003 2.063,1006 351.984,1007 30.5,1013 23.7,1017 -0.771,1020 34.015,1021 36.458,1022 0.32,1023 0.679,1024 0.834,1025 0.916,1026 0.928,1027 0.94,1028 4.661,1029 0.863,1030 5.485,1031 2.926,1032 4.143,1033 4.668,1034 2.639,1035 6.244,1036 4.024,1037 5.838,1038 0.651,1039 7.015,1040 2,1041 3.611,1042 4.369,1044 7.05,1045 3.519,1046 7.124,1047 0.618,1048 8.647,1049 1.525,1050 5.687,1051 6.78,1052 3.417,1053 10.112,1054 5.483,1055 8.448,1056 0.224,1057 10.34,1058 1.372,1059 6.019,1060 7.354,1062 11.746,1063 5.832,1064 9.806,1065 -0.473,1066 12.071,1067 0.489,1068 7.51,1069 9.177,1070 4.401,1071 14.28,1072 7.244,1073 11.186,1074 -0.618,1075 13.827,1076 -1.126,1077 8.23,1078 10.138,1080 16.235,1081 7.964,1082 12.581,1083 -1,1084 15.599,1085 -1.599,1086 9.481,1087 11.721,1088 5.483,1089 18.577,1090 9.159,1091 2.978,1092 -1.08,1093 17.382,1094 -2.406,1095 10.382,1096 12.868,1098 20.668,1099 10.048,1100 2.799,1101 9.418,1102 19.173,1103 -2.842,1104 11.528,1105 14.34,1106 6.61,1107 22.934,1108 11.153,1109 2.575,1110 8.565,1111 20.969,1112 3.975,1113 12.514,1114 15.584,1116 25.088,1117 12.121,1118 1.82,1119 8.124,1120 22.769,1121 3.698,1122 13.614,1123 17.002,1124 7.758,1125 27.323,1126 13.189,1127 1.618,1128 4.518,1129 24.572,1130 3.237,1131 14.642,1132 18.297,1134 29.509,1135 14.197,1136 1.525,1137 4.321,1138 26.377,1139 2.463,1140 15.723,1141 19.689,1142 8.917,1143 31.733,1144 15.252,1145 1.295,1146 3.599,1147 28.184,1148 2.063,1149 16.772,1150 21.013,1152 33.936,1153 16.281,1154 4583,1155 8568,1156 15.603,1157 23.489,1158 34.546,1159 35.875,1160 34.402,1161 33.87,1162 33.931,1163 44.013,1164 9.71,1165 93.718,1166 31.754,1167 5.279,1168 5.714,1169 5.938,1170 5.09,1171 4.978,1172 6.975,1173 3.595,1174 15.804,1175 4.915,1176 7.66,1177 1.502,1178 1.56,1179 1.496,1180 1.473,1181 1.475,1182 1.914,1183 0.422,1184 4.075,1185 1.381,1186 3.976,1187 3.982,1188 4.224,1189 3.914,1190 7.436,1191 3.888,1192 3.864,1193 3.861,1194 3.924,1195 3.862,1196 7.424,1197 3.814,1198 3.564,1199 3.582,1200 3.497,1201 3.341,1202 4.939,1203 3.369,1204 3.355,1205 3.39,1206 3.256,1207 3.146,1208 4.652,1209 3.157,1210 3.08,1211 3.067,1212 3.036,1213 2.837,1214 4.36,1215 2.884,1216 2.882,1217 2.921,1218 2.766,1219 2.712,1220 4.258,1221 2.713,1222 2.646,1223 2.693,1224 2.682,1225 2.486,1226 4.205,1227 2.484,1228 2.483,1229 2.559,1230 2.508,1231 2.376,1232 3.451,1233 2.233,1234 0.188,1235 0.161,1236 0.272,1237 0.172,1238 0.129,1239 4.334,1240 0.173,1241 3.714,1242 0.078,1243 6.25,1244 0.409,1245 3.95,1246 0.127,1247 2.978,1248 3.975,1249 1.797,1250 9.418,1251 2.915,1252 1.911,1253 1.901,1254 1.998,1255 2.035,1256 1.129,1257 2.02,1258 1.553,1259 1.55,1260 1.713,1261 1.765,1262 0.943,1263 1.738,1264 1.463,1265 1.428,1266 1.668,1267 1.643,1268 0.739,1269 1.648,1270 1.383,1271 1.376,1272 1.528,1273 1.522,1274 0.675,1275 1.546,1276 1.24,1277 1.207,1278 1.25,1279 1.358,1280 0.564,1281 1.398,1282 0.862,1283 0.817,1284 1.123,1285 1.084,1286 0.187,1287 1.092,1288 0.695,1289 0.685,1290 0.906,1291 0.92,1292 0.055,1293 0.907,1294 0.495,1295 0.482,1296 0.86,1297 0.821,1299 0.843,1300 3.85,1302 5.142,1303 2.398,1304 6.627,1305 4.443,1306 8.198,1307 6.293,1308 9.816,1315 0.66,1318 15.797,1326 22.922,1327 53.232,1328 113.081,1329 138.855,1330 152.465,1331 154.465,1332 156.465,1333 36.663,1334 6.609,1335 61.83,1336 90.07,1337 17,1338 12.045,1339 3.807,1340 3.087,1341 32.375,1342 72,1343 58,1344 0.218,1345 143.096,1346 253.16,1347 340.914,1348 6118,1350 14.656,1351 0.698,1352 0.564,1353 15.01,1354 11.851,1355 10.237,1356 0.445,1357 0.315,1358 6.322,1359 9.233,1360 6.15,1361 5.023,1362 10.691,1363 7.253,1364 8.954,1365 0.289,1366 0.17,1367 9.538,1368 5.283,1369 7.667,1370 0.192,1371 0.094,1372 8.383,1373 3.771,1374 5.95,1375 0.124,1376 0.052,1377 6.571,1378 2.513,1379 4.425,1380 0.08,1381 0.024,1382 4.684,1383 1.347,1384 0.345,1385 69.844,1386 0.253,1387 21.123,1388 0.587,1389 108,1390 419.538,1391 145.339,1392 402.721,1393 533.52,1394 378,1395 125,1396 357.036,1397 159.764,1398 367.1,1399 539.56,1400 345,1401 6.672}
{0 CHEMBL1567827,1 1.723,2 7.556,3 2.955,4 8.729,5 69.202,6 8.874,7 0.8,8 3.5,9 3.593,10 3.282,11 3.156,12 4.691,13 3.112,14 3.96,15 4.1,16 3.691,17 3.519,18 5.15,19 3.452,20 4.104,21 4.284,22 3.649,23 3.529,24 5.257,25 3.443,26 4.018,27 4.178,28 3.571,29 3.386,30 5.245,31 3.317,32 3.884,33 4.073,34 3.331,35 3.232,36 5.053,37 3.161,38 3.792,39 3.951,40 3.189,41 3.158,42 5.034,43 3.077,44 3.714,45 3.905,46 2.763,47 2.993,48 4.794,49 2.844,50 3.405,51 3.654,52 2.188,53 2.646,54 4.244,55 2.465,56 0.039,57 0.432,58 4.682,59 2.583,60 6.811,61 2.805,62 0.133,63 0.714,64 9.569,65 4.302,66 14.671,67 4.978,68 0.159,69 0.819,70 15.215,71 5.696,72 17.283,73 6.179,74 0.209,75 0.744,76 14.58,77 4.895,78 20.933,79 4.861,80 0.177,81 0.64,82 10.828,83 3.827,84 19.681,85 4.331,86 0.17,87 0.558,88 9.247,89 3.516,90 22.522,91 3.327,92 0.182,93 0.478,94 10.691,95 3.91,96 25.216,97 3.96,98 0.082,99 0.348,100 7.632,101 2.935,102 11.221,103 3.723,104 6,105 28,106 0.326,107 0.684,108 0.823,109 0.875,110 0.875,111 0.875,112 2.962,113 0.975,114 -3.79,115 -3.75,116 -3.57,120 44.8,121 1,122 1,143 4,144 1,146 1,147 1,148 1,150 1,153 1,162 1,174 4,176 1,177 5,180 1,182 1,185 5,188 2,189 5,194 1,197 3,201 4,204 1,206 1,209 1,214 6,217 1,219 2,222 2,227 2,232 2,235 3,240 1,245 1,247 4,252 1,260 3,271 2,274 308,275 12.386,276 12.386,277 12.386,278 12.386,279 12.386,280 10.544,281 5.795,282 7.315,283 12.779,284 9.837,285 9.837,286 9.837,287 9.837,288 9.837,289 7.024,290 2.633,291 3.432,292 10.549,293 3.135,294 1.24,295 0.509,296 0.233,297 0.233,298 0.233,299 3.64,306 1,307 1,308 295,309 2,312 35.438,313 91.188,316 63.417,320 1.222,321 15.576,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 38.5,333 136,334 4.599,335 3.218,336 6.564,337 4.078,338 3.148,339 4.557,341 10.433,342 2.926,343 4.112,344 2.766,345 6.083,346 3.684,347 2.733,348 3.709,350 8.853,351 2.598,352 3.616,353 2.495,354 5.289,355 3.162,356 2.251,357 3.033,359 6.579,360 2.037,361 3.312,362 2.002,363 4.918,364 2.777,365 1.858,366 2.68,368 5.428,369 1.72,370 3.166,371 1.786,372 4.518,373 2.685,374 1.748,375 2.424,377 4.556,378 1.599,379 2.654,380 1.19,381 3.726,382 2.134,383 1.173,384 1.726,386 2.832,387 1.123,388 2.5,389 1,390 3.43,391 1.958,392 1,393 1.5,395 2.136,396 0.955,397 2.132,398 0.821,399 3.247,400 1.598,401 0.695,402 0.978,404 1.92,405 0.615,406 1.539,407 0.446,408 2.796,409 1.316,410 0.384,411 0.431,413 0.557,414 0.352,415 1.063,416 -0.1,417 2.607,418 0.568,419 -0.313,420 -0.416,422 -0.817,423 -0.273,424 0.809,425 -0.543,426 2.518,427 0.359,428 -0.582,429 -0.77,431 -1.399,432 -0.544,433 0.5,434 -0.895,435 1.906,436 -0.023,437 -1,438 -1.321,440 -2.347,441 -0.907,442 0.5,443 -1,444 1.61,445 -0.08,446 -1,447 -1.5,449 -2.654,450 -0.973,451 0.134,452 -1,453 1.555,454 -0.198,455 -1.132,456 -1.5,458 -2.96,459 -1.016,460 -0.047,461 -1.182,462 1.346,463 -0.458,464 -1.368,465 -1.788,467 -3.874,468 -1.258,469 8.867,470 0.493,471 0.397,472 0.022,473 26.25,474 1.458,475 14.5,476 0.806,477 11.75,478 0.653,479 11.769,480 0.654,481 18.133,482 0.625,483 15.004,484 0.834,485 4.85,486 0.269,487 3.925,488 0.218,489 0.094,491 0.338,496 0.913,497 1.107,498 0.697,499 0.811,500 0.965,501 0.788,502 0.553,503 1.062,504 0.722,505 0.881,506 0.538,507 0.817,508 0.853,509 1.062,510 1.083,511 1.073,512 0.728,513 0.879,514 1.218,515 1.307,516 1.268,517 1.32,518 1.242,519 1.053,520 1.058,521 1.047,522 0.954,523 0.956,524 0.925,525 0.939,526 1.971,527 0.923,528 1.256,529 0.973,530 1.931,531 1.066,532 1.849,533 0.862,534 1.451,535 1.117,536 2.085,537 1.228,538 0.695,539 0.902,540 1.02,541 1.043,542 0.718,543 1.222,544 3.5,545 0.012,546 1.778,547 1.257,548 1.081,549 0.552,550 0.289,551 0.137,552 0.037,553 0.026,554 2709,555 7656,556 2.12,557 37.9,558 3,559 4,561 1,562 1,563 2,567 1.589,568 2,569 2.928,570 -0.225,572 1,573 1,574 1,575 49.967,576 1.723,577 3.617,578 4.349,579 4.625,580 4.625,581 4.625,582 2.461,583 3.725,584 4.14,585 2.998,586 458.717,587 7.038,588 4187.52,589 1,590 1,592 1,593 140.881,594 1.352,595 4.109,596 0.175,597 0.012,598 0.063,599 0.047,600 0.047,601 0.029,602 0.018,603 0.014,604 0.006,605 0.009,606 0.42,607 0.67,608 1,609 0.816,610 75.079,611 -0.109,612 -0.102,613 0.044,614 0.06,615 -0.158,616 0.039,617 0.223,618 -0.03,619 0.181,620 0.064,621 0.145,622 0.072,623 0.071,624 -0.023,625 0.023,626 -0.022,627 0.111,628 0.073,629 0.015,630 -0.245,631 -0.112,632 -0.257,633 -0.025,634 -0.149,635 0.005,636 -0.013,637 -0.025,638 -0.044,639 0.06,640 -0.033,641 -0.485,642 0.1,643 -0.314,644 -0.042,645 -0.317,646 -0.209,647 -0.456,648 0.042,649 -0.409,650 -0.093,651 -0.452,652 -0.248,653 -0.053,654 -0.066,655 -0.149,656 -0.12,657 -0.064,658 -0.146,659 1.642,660 3.95,661 0.833,662 11.123,663 1.008,664 1.113,665 2.563,666 6.567,667 0.73,668 3.045,669 3.367,670 3.664,671 3.951,672 4.174,673 4.234,674 4.317,675 4.407,676 4.331,677 4.159,678 4.436,679 0.692,680 257.34,681 3.045,682 4.575,683 5.434,684 6.319,685 7.2,686 8.093,687 8.981,688 9.878,689 10.77,690 11.668,691 10.3,701 3,708 2,709 5,710 3,713 1,714 4,716 16,734 1,738 29,739 16,741 20,743 31,744 13,745 11,752 3,753 4,759 1,766 1,768 11,769 2,786 1,789 11,790 4,791 1,792 5,793 1,797 3,803 0.667,804 1,816 1,817 1,822 1,823 2,826 1,855 2,857 1,859 1,862 18,868 1,869 1,880 1,886 3.4,888 1,893 9,894 5.633,895 4,896 1.846,898 3.087,899 1.472,900 0.984,901 2.862,902 9.628,903 3.367,904 4.039,905 4.708,906 5.372,907 5.938,908 6.296,909 6.757,910 7.208,911 7.412,912 7.626,913 1,914 27,915 6.619,917 2.816,918 7.741,919 12.586,921 10.258,924 2.241,925 40.333,926 0.001,929 117.711,930 98.923,931 50.357,933 42.683,935 31.278,936 67.645,937 160.394,938 50.357,939 8.825,940 2.535,941 37.905,942 105.128,943 16.705,944 1.358,945 137.218,947 117.711,948 118.002,949 42.683,950 31.278,952 120.039,953 42.683,956 23.481,957 41.836,958 50.357,959 31.278,960 117.711,961 93.04,962 98.923,965 117.711,966 43.145,967 55.778,969 93.04,970 117.711,971 93.04,972 98.923,973 0.576,974 0.346,975 0.193,976 0.11,977 15,978 6,979 0.065,980 2,981 1,982 1.133,983 3.057,984 132.899,985 0.133,986 15,987 75.059,989 1,993 11.393,994 4.523,995 2.064,996 1.525,997 93.04,998 9.166,999 12.76,1002 1.581,1003 2.343,1005 42.683,1006 309.674,1007 28,1020 29.244,1021 32.285,1022 0.355,1023 0.745,1024 0.895,1025 0.952,1026 0.952,1027 0.952,1028 4.575,1029 0.695,1030 5.416,1031 2.136,1032 4.043,1033 4.723,1035 6.236,1036 3.903,1037 5.805,1038 0.384,1039 6.976,1040 1.92,1041 3.611,1042 4.559,1044 7.125,1045 3.386,1046 7.125,1047 -0.313,1048 8.636,1049 0.557,1050 5.638,1051 7.032,1053 10.242,1054 5.365,1055 8.487,1056 -0.582,1057 10.355,1058 -0.817,1059 6.043,1060 7.73,1062 11.959,1063 5.68,1064 9.881,1065 -1,1066 12.11,1067 -1.399,1068 7.53,1069 9.646,1071 14.577,1072 7.124,1073 11.3,1074 -1,1075 13.891,1076 -2.347,1077 8.323,1078 10.763,1080 16.639,1081 7.829,1082 12.737,1083 -1.132,1084 15.691,1085 -2.654,1086 9.592,1087 12.443,1089 19.077,1090 9.048,1091 3.148,1092 -1.368,1093 17.504,1094 -2.96,1095 10.569,1096 13.767,1098 21.289,1099 9.941,1100 2.733,1101 10.433,1102 19.327,1103 -3.874,1104 11.75,1105 15.346,1107 23.66,1108 11.064,1109 2.251,1110 8.853,1111 21.159,1112 4.557,1113 12.812,1114 16.77,1116 25.938,1117 12.044,1118 1.858,1119 6.579,1120 22.998,1121 3.709,1122 13.96,1123 18.307,1125 28.284,1126 13.127,1127 1.748,1128 5.428,1129 24.841,1130 3.033,1131 15.062,1132 19.778,1134 30.593,1135 14.15,1136 1.173,1137 4.556,1138 26.69,1139 2.68,1140 16.2,1141 21.299,1143 32.931,1144 15.218,1145 1,1146 2.832,1147 28.542,1148 2.424,1149 17.32,1150 22.792,1152 35.255,1153 16.261,1154 2659,1155 4597,1156 13.523,1157 21.165,1158 30.057,1159 30.061,1160 30.748,1161 30.044,1162 29.98,1163 42.076,1165 86.591,1166 27.851,1167 5.225,1168 5.218,1169 6.365,1170 5.196,1171 5.148,1172 7.557,1174 17.352,1175 4.873,1176 7.031,1177 1.503,1178 1.503,1179 1.537,1180 1.502,1181 1.499,1182 2.104,1184 4.33,1185 1.393,1186 4.072,1187 4.09,1188 4.328,1189 4.053,1190 6.476,1191 4.008,1192 3.825,1193 3.86,1194 3.813,1195 3.743,1196 5.017,1197 3.739,1198 3.483,1199 3.551,1200 3.436,1201 3.326,1202 4.775,1203 3.321,1204 3.121,1205 3.178,1206 3.107,1207 2.996,1208 4.297,1209 2.975,1210 2.923,1211 2.941,1212 2.943,1213 2.764,1214 3.892,1215 2.734,1216 2.778,1217 2.858,1218 2.632,1219 2.602,1220 3.825,1221 2.596,1222 2.58,1223 2.658,1224 2.482,1225 2.399,1226 3.731,1227 2.396,1228 2.342,1229 2.472,1230 2.31,1231 2.082,1232 3.507,1233 2.064,1234 0.23,1235 0.161,1236 0.328,1237 0.204,1238 0.157,1239 4.599,1240 0.228,1241 3.218,1243 6.564,1244 0.522,1245 4.078,1246 0.146,1247 3.148,1248 4.557,1250 10.433,1251 2.926,1252 1.884,1253 1.853,1254 1.962,1255 2.023,1256 1.094,1257 2.005,1258 1.713,1259 1.683,1260 1.874,1261 1.839,1262 0.989,1263 1.843,1264 1.62,1265 1.591,1266 1.725,1267 1.744,1268 0.847,1269 1.779,1270 1.117,1271 1.06,1272 1.281,1273 1.268,1274 0.46,1275 1.311,1276 0.931,1277 0.907,1278 1.116,1279 1.037,1280 0.241,1281 1.079,1282 0.747,1283 0.677,1284 0.967,1285 1.002,1286 0.02,1287 0.977,1288 0.599,1289 0.561,1290 0.818,1291 0.951,1293 0.949,1294 0.35,1295 0.227,1296 0.735,1297 0.684,1299 0.745,1300 3.714,1302 5.03,1303 2.398,1304 6.553,1305 4.727,1306 8.167,1307 6.843,1308 9.83,1310 2.078,1314 9.95,1315 0.93,1326 20.073,1327 49.967,1328 104.907,1329 126.127,1330 134.127,1331 134.127,1332 134.127,1333 21.541,1334 6.541,1335 58.9,1336 87.14,1337 17,1338 12.193,1339 4.087,1340 3.17,1341 25.675,1342 49,1343 47,1344 0.278,1345 128.309,1346 205.5,1347 304.834,1348 4923,1350 12.535,1351 0.696,1352 0.589,1353 12.889,1354 10.607,1355 8.775,1356 0.439,1357 0.325,1358 5.695,1359 8.062,1360 5.479,1361 4.56,1362 9.183,1363 6.501,1364 7.776,1365 0.278,1366 0.178,1367 8.445,1368 4.986,1369 6.752,1370 0.178,1371 0.101,1372 7.532,1373 3.839,1374 5.706,1375 0.112,1376 0.053,1377 6.554,1378 2.702,1379 4.652,1380 0.073,1381 0.028,1382 5.387,1383 1.801,1384 0.417,1385 58.582,1386 0.272,1387 17.786,1388 0.815,1389 96,1390 283.945,1391 130.277,1392 300.665,1393 418.98,1394 282,1395 114,1396 301.872,1397 144.09,1398 321.76,1399 475.78,1400 304,1401 4.889}
{0 CHEMBL1569682,1 1.757,2 12.152,3 3.933,4 15.467,5 122.64,6 8.584,7 0.595,8 4.129,9 4.225,10 3.85,11 3.681,12 5.309,13 3.675,14 4.637,15 4.77,16 4.232,17 4.053,18 5.791,19 4.034,20 4.842,21 5.004,22 4.343,23 4.159,24 5.999,25 4.131,26 4.845,27 5.008,28 4.35,29 4.195,30 6.051,31 4.137,32 4.904,33 5.084,34 4.319,35 4.253,36 6.04,37 4.151,38 4.932,39 5.121,40 4.218,41 4.198,42 6.082,43 4.101,44 4.87,45 5.067,46 4.122,47 4.059,48 6.126,49 3.987,50 4.768,51 4.991,52 3.967,53 3.884,54 5.952,55 3.837,56 0.144,57 0.829,58 9.174,59 4.894,60 13.332,61 5.293,62 0.423,63 1.331,64 20.902,65 8.291,66 28.307,67 9.311,68 0.655,69 1.55,70 27.003,71 9.924,72 49.03,73 10.973,74 0.643,75 1.609,76 27.331,77 10.323,78 47.449,79 11.569,80 0.619,81 1.679,82 31.215,83 12.192,84 53.854,85 13.922,86 0.686,87 1.677,88 37.256,89 12.783,90 69.578,91 13.982,92 0.82,93 1.558,94 33.423,95 10.912,96 91.484,97 12.625,98 0.646,99 1.383,100 27.104,101 8.558,102 69.257,103 10.459,104 11,105 52,106 0.287,107 0.662,108 0.799,109 0.864,110 0.882,111 0.888,112 3.532,113 0.929,114 -3.95,115 -3.9,116 -3.7,120 42.6,121 1,122 1,126 3,143 7,144 2,145 4,146 1,150 1,154 1,159 1,163 1,167 1,174 7,176 2,177 10,180 2,182 3,185 7,188 2,189 7,194 2,197 6,200 2,201 8,204 4,206 3,209 8,213 2,214 5,217 3,219 3,222 9,226 1,227 6,232 2,235 5,239 2,240 14,243 2,244 1,245 3,251 1,252 10,255 1,257 3,263 2,264 4,269 4,271 6,274 2002,275 22.8,276 22.8,277 22.8,278 22.8,279 22.8,280 20.023,281 23.827,282 13.439,283 23.525,284 18.225,285 18.225,286 18.225,287 18.225,288 18.225,289 13.89,290 26.413,291 6.29,292 19.45,293 3.998,294 1.698,295 0.859,296 0.458,297 0.347,298 0.31,299 4.242,306 1,307 1,308 891,309 3.464,312 81.528,313 353.56,316 138.487,317 150.192,320 1.662,321 37.219,324 1,325 0.67,326 1,327 0.8,329 1,330 1,331 0.78,332 72.5,333 401,334 4.7,335 4.488,336 6.99,337 4.229,338 3.3,339 4.617,340 3.359,341 11.867,342 3.076,343 4.283,344 3.625,345 6.325,346 3.876,347 2.931,348 3.932,349 1.737,350 9.522,351 2.767,352 4.245,353 3.279,354 6.185,355 3.802,356 2.826,357 3.92,358 0.86,359 9.238,360 2.758,361 3.796,362 3.237,363 5.729,364 3.461,365 2.508,366 3.227,367 0.86,368 7.574,369 2.382,370 3.711,371 2.935,372 5.425,373 3.267,374 2.343,375 3.022,376 0.146,377 7.159,378 2.151,379 3.451,380 2.573,381 5.272,382 3.002,383 2.081,384 2.807,386 6.287,387 1.935,388 3.333,389 2.404,390 4.784,391 2.892,392 1.935,393 2.551,395 5.353,396 1.795,397 2.923,398 2.306,399 4.442,400 2.53,401 1.618,402 2.087,404 4.353,405 1.506,406 2.917,407 2.174,408 4.404,409 2.51,410 1.517,411 2.061,413 3.984,414 1.469,415 2.811,416 1.8,417 3.872,418 2.358,419 1.407,420 1.935,422 3.059,423 1.336,424 2.611,425 1.747,426 3.633,427 2.316,428 1.383,429 1.661,431 2.999,432 1.271,433 2.475,434 1.504,435 3.615,436 2.07,437 1.146,438 1.473,440 2.691,441 1.052,442 2.258,443 1.238,444 3.495,445 1.779,446 0.847,447 1.162,449 2.173,450 0.777,451 1.924,452 1.02,453 3.232,454 1.606,455 0.705,456 0.836,458 1.642,459 0.628,460 1.772,461 0.918,462 3.154,463 1.499,464 0.528,465 0.63,467 1.236,468 0.505,469 15.667,470 0.475,471 0.709,472 0.021,473 46.25,474 1.402,475 24,476 0.727,477 22.25,478 0.674,479 27.312,480 0.828,481 34.733,482 0.643,483 36.007,484 1.091,485 8.899,486 0.27,487 7.236,488 0.219,489 0.074,491 0.345,496 0.849,497 1.199,498 0.693,499 0.955,500 0.731,501 0.86,502 0.886,503 1.187,504 0.911,505 1.101,506 0.654,507 0.925,508 1.164,509 1.072,510 0.867,511 0.912,512 1.07,513 0.854,514 0.883,515 1.03,516 1.03,517 1.068,518 0.861,519 1.011,520 0.789,521 0.996,522 1.137,523 1.122,524 1.024,525 1.076,526 1.06,527 1.14,528 1.426,529 1.271,530 1.312,531 1.094,532 0.908,533 1.144,534 1.228,535 1.197,536 1.083,537 1.094,538 1.169,539 1.009,540 0.883,541 0.852,542 1.493,543 0.925,544 5.5,545 0.151,546 3.556,547 2.375,548 2.413,549 0.965,550 0.885,551 0.486,552 0.35,553 0.235,554 16182,555 46755,556 2.15,557 38.9,558 5,559 13,561 1,562 2,567 1.754,568 2.041,569 3.52,570 0.252,572 1,575 94.874,576 1.757,577 4.057,578 4.896,579 5.296,580 5.408,581 5.445,582 2.85,583 4.779,584 5.018,585 3.73,586 1969.29,587 8.797,588 29418.1,593 310.764,594 1.301,595 4.989,596 0.149,597 0.005,598 0.068,599 0.043,600 0.046,601 0.019,602 0.019,603 0.011,604 0.009,605 0.007,606 0.377,607 0.33,608 0.75,609 0.62,610 174.687,611 -0.061,612 -0.088,613 0.056,614 -0.003,615 -0.072,616 0.015,617 0.044,618 -0.114,619 0.038,620 -0.08,621 0.021,622 -0.003,623 -0.075,624 -0.047,625 0.103,626 0.071,627 -0.073,628 0.078,629 0.056,630 0.046,631 0.01,632 -0.028,633 0.079,634 -0.071,635 0.045,636 0.034,637 -0.004,638 -0.005,639 -0.005,640 -0.068,641 -0.098,642 -0.121,643 -0.172,644 -0.105,645 -0.083,646 -0.076,647 0.105,648 -0.13,649 -0.115,650 -0.157,651 0.171,652 -0.113,653 -0.119,654 -0.018,655 0.036,656 0.016,657 -0.089,658 0.026,659 1.887,660 5.692,661 0.758,662 31.717,663 1.018,664 1.122,665 2.715,666 7.373,667 0.696,668 3.638,669 3.97,670 4.29,671 4.595,672 4.828,673 4.913,674 5.05,675 5.159,676 5.176,677 5.142,678 7.293,679 0.673,680 463.56,681 3.638,682 5.187,683 6.057,684 6.948,685 7.834,686 8.732,687 9.625,688 10.526,689 11.423,690 12.326,691 9.3,698 1,699 1,701 3,708 2,709 8,710 3,714 7,715 1,716 22,734 1,735 2,738 54,739 23,740 2,741 37,743 58,744 23,745 17,746 5,747 7,752 5,753 7,759 1,766 1,768 18,769 5,772 1,778 1,782 1,786 1,789 21,790 8,791 2,792 10,793 1,797 5,803 0.6,804 4,814 1,817 1,822 1,823 4,826 1,827 1,838 1,855 3,856 1,857 1,859 1,862 33,868 1,869 4,871 1,872 2,873 1,886 7.4,888 1,889 1,891 2,893 16.167,894 10.083,895 7.278,896 3.276,898 4.358,899 1.528,900 0.991,901 6.289,902 12.61,903 3.912,904 4.546,905 5.177,906 5.808,907 6.352,908 6.693,909 7.119,910 7.525,911 7.727,912 7.966,913 0.875,914 55,915 12.216,917 5.297,918 7.803,919 23.041,921 18.934,924 2.303,925 76,928 1,929 223.651,930 157.917,931 70.021,933 89.828,935 32.22,936 125.697,937 313.479,938 70.021,939 8.825,940 30.63,941 66.334,942 134.416,943 57.114,945 244.099,947 223.651,948 195.719,949 89.828,950 32.22,952 225.366,953 89.828,956 51.095,957 92.797,958 50.112,959 32.22,960 223.651,961 159.849,962 157.917,965 223.651,966 73.71,967 86.105,968 18.011,969 139.94,970 223.651,971 159.849,972 157.917,973 0.578,974 0.351,975 0.202,976 0.11,977 26,978 11,979 0.103,980 6,981 2,982 1.16,983 4.393,984 316.592,985 0.16,986 25,987 166.465,989 1,993 21.862,994 9.493,995 4.454,996 0.776,997 157.95,998 14.514,999 12.41,1003 4.138,1004 1.645,1005 60.694,1006 541.417,1007 49,1013 12.692,1017 -0.22,1020 54.963,1021 60.571,1022 0.305,1023 0.705,1024 0.851,1025 0.92,1026 0.94,1027 0.946,1028 5.15,1029 1.618,1030 6.038,1031 5.353,1032 4.654,1033 5.234,1034 3.448,1035 6.874,1036 4.53,1037 6.363,1038 1.517,1039 7.607,1040 4.353,1041 4.205,1042 5.085,1043 1.593,1044 7.825,1045 4.04,1046 7.682,1047 1.407,1048 9.28,1049 3.984,1050 6.263,1051 7.49,1052 5.58,1053 10.97,1054 6.026,1055 9.041,1056 1.383,1057 11.016,1058 3.059,1059 6.673,1060 8.204,1061 3.522,1062 12.785,1063 6.385,1064 10.434,1065 1.146,1066 12.794,1067 2.999,1068 8.171,1069 10.066,1070 7.947,1071 15.452,1072 7.821,1073 11.851,1074 0.847,1075 14.601,1076 2.691,1077 8.981,1078 11.183,1079 5.91,1080 17.627,1081 8.569,1082 13.288,1083 0.705,1084 16.429,1085 2.173,1086 10.26,1087 12.831,1088 10.351,1089 20.144,1090 9.79,1091 3.3,1092 0.528,1093 18.274,1094 1.642,1095 11.26,1096 14.146,1097 8.482,1098 22.477,1099 10.72,1100 2.931,1101 11.867,1102 20.132,1103 1.236,1104 12.457,1105 15.705,1106 12.763,1107 24.948,1108 11.856,1109 2.826,1110 9.522,1111 22.001,1112 4.617,1113 13.545,1114 17.119,1115 11.074,1116 27.352,1117 12.871,1118 2.508,1119 9.238,1120 23.879,1121 3.932,1122 14.715,1123 18.644,1124 15.176,1125 29.813,1126 13.976,1127 2.343,1128 7.574,1129 25.765,1130 3.92,1131 15.845,1132 20.107,1133 13.65,1134 32.25,1135 15.032,1136 2.081,1137 7.159,1138 27.658,1139 3.227,1140 17.01,1141 21.622,1142 17.59,1143 34.711,1144 16.128,1145 1.935,1146 6.287,1147 29.556,1148 3.022,1149 18.162,1150 23.111,1151 16.206,1152 37.164,1153 17.205,1154 14934,1155 25617,1156 25.255,1157 37.585,1158 55.383,1159 59.277,1160 57.228,1161 55.097,1162 55.118,1163 72.954,1164 13.927,1165 159.931,1166 51.652,1167 5.644,1168 6.488,1169 6.681,1170 5.374,1171 5.3,1172 7.617,1173 6.685,1174 19.474,1175 5.076,1176 12.944,1177 1.497,1178 1.602,1179 1.547,1180 1.489,1181 1.49,1182 1.972,1183 0.376,1184 4.322,1185 1.396,1186 4.106,1187 4.144,1188 4.158,1189 3.978,1190 7.429,1191 3.991,1192 3.953,1193 3.97,1194 3.909,1195 3.841,1196 6.471,1197 3.853,1198 3.866,1199 3.903,1200 3.814,1201 3.775,1202 5.154,1203 3.781,1204 3.582,1205 3.611,1206 3.747,1207 3.44,1208 4.951,1209 3.406,1210 3.414,1211 3.475,1212 3.381,1213 3.247,1214 4.746,1215 3.241,1216 3.388,1217 3.454,1218 3.218,1219 3.242,1220 4.402,1221 3.216,1222 3.272,1223 3.332,1224 3.178,1225 3.037,1226 4.375,1227 3.072,1228 2.949,1229 2.992,1230 3.033,1231 2.781,1232 4.213,1233 2.773,1234 0.127,1235 0.121,1236 0.189,1237 0.114,1238 0.089,1239 4.7,1240 0.125,1241 4.488,1242 0.091,1243 6.99,1244 0.321,1245 4.229,1246 0.083,1247 3.3,1248 4.617,1249 3.359,1250 11.867,1251 3.076,1252 1.977,1253 1.949,1254 2.068,1255 2.099,1256 1.244,1257 2.087,1258 1.893,1259 1.876,1260 1.985,1261 2.031,1262 1.109,1263 2.015,1264 1.75,1265 1.724,1266 1.806,1267 1.877,1268 0.983,1269 1.872,1270 1.477,1271 1.446,1272 1.724,1273 1.726,1274 0.924,1275 1.712,1276 1.421,1277 1.344,1278 1.694,1279 1.614,1280 0.826,1281 1.659,1282 1.368,1283 1.326,1284 1.542,1285 1.554,1286 0.79,1287 1.573,1288 1.161,1289 1.089,1290 1.267,1291 1.482,1292 0.295,1293 1.421,1294 0.967,1295 0.914,1296 1.149,1297 1.164,1298 0.239,1299 1.155,1300 4.317,1302 5.645,1303 2.398,1304 7.179,1305 4.595,1306 8.811,1307 6.605,1308 10.497,1310 2.043,1314 11.009,1315 1.831,1317 2.868,1318 11.087,1319 1.206,1326 36.368,1327 94.874,1328 219.059,1329 264.358,1330 286.009,1331 292.009,1332 294.009,1333 57.745,1334 8.251,1335 111.39,1336 136.69,1337 29,1338 12.847,1339 4.585,1340 3.7,1341 47.804,1342 142,1343 154,1344 0.158,1345 223.313,1346 380.69,1347 536.645,1348 52279,1350 22.786,1351 0.69,1352 0.565,1353 23.139,1354 18.633,1355 16.135,1356 0.436,1357 0.31,1358 10.381,1359 14.961,1360 10.1,1361 8.322,1362 16.589,1363 11.46,1364 14.306,1365 0.275,1366 0.159,1367 14.857,1368 8.255,1369 12.551,1370 0.174,1371 0.085,1372 13.286,1373 6.136,1374 10.981,1375 0.112,1376 0.045,1377 11.746,1378 4.432,1379 8.876,1380 0.072,1381 0.025,1382 9.723,1383 3.123,1384 0.249,1385 106.595,1386 0.199,1387 30.617,1388 0.43,1389 178,1390 577.13,1391 223.317,1392 567.767,1393 782.03,1394 534,1395 213,1396 573.039,1397 256.828,1398 583.3,1399 863.16,1400 550,1401 5.517}
{0 CHEMBL1569984,1 1.442,2 11.56,3 2.923,4 8.544,5 101.176,6 6.867,7 0.429,8 3.986,9 4.123,10 3.502,11 3.506,12 4.973,13 3.475,14 4.559,15 4.762,16 3.857,17 3.92,18 5.498,19 3.864,20 4.817,21 5.048,22 3.87,23 4.082,24 5.694,25 3.98,26 4.88,27 5.131,28 3.757,29 4.04,30 5.79,31 3.905,32 4.831,33 5.119,34 3.585,35 3.883,36 5.738,37 3.738,38 4.54,39 4.8,40 3.463,41 3.709,42 5.453,43 3.592,44 4.389,45 4.631,46 3.347,47 3.651,48 5.264,49 3.517,50 4.376,51 4.642,52 3.233,53 3.552,54 5.195,55 3.402,56 0.039,57 0.754,58 11.155,59 4.273,60 6.486,61 6.204,62 0.304,63 1.243,64 21.238,65 6.915,66 20.757,67 10.487,68 0.266,69 1.491,70 27.912,71 9.569,72 22.922,73 14.203,74 0.227,75 1.466,76 30.17,77 10.716,78 35.681,79 15.726,80 0.332,81 1.301,82 29.789,83 9.896,84 48.987,85 14.626,86 0.218,87 1.034,88 21.719,89 7.396,90 31.085,91 10.885,92 0.216,93 0.94,94 18.145,95 6.729,96 20.868,97 9.854,98 0.142,99 0.883,100 18.106,101 6.723,102 16.956,103 9.898,104 5,105 39,106 0.245,107 0.528,108 0.671,109 0.794,110 0.827,111 0.827,112 3.267,113 0.954,114 -3.9,115 -3.86,116 -3.66,120 40.8,122 1,125 1,126 5,143 8,144 1,145 3,160 1,174 7,176 1,177 5,180 2,182 2,185 7,188 1,189 4,194 2,197 6,201 8,206 3,209 1,214 8,217 1,219 2,227 3,232 1,235 6,239 2,247 10,255 1,260 6,264 3,271 2,274 869,275 17.154,276 17.154,277 17.154,278 17.154,279 17.154,280 15.598,281 26.008,282 10.106,283 17.525,284 13.819,285 13.819,286 13.819,287 13.819,288 13.819,289 11.444,290 37.465,291 4.802,292 14.403,293 4.173,294 2.51,295 1.665,296 0.946,297 0.75,298 0.75,299 3.967,305 1,306 1,307 1,308 641,309 2.739,312 57.523,313 237.32,316 107.719,320 1.853,321 14.676,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 53,333 289,334 4.392,335 3.748,336 6.682,337 4.099,338 3.14,339 3.919,340 1.701,341 10.766,342 3.011,343 4.147,344 3.139,345 6.148,346 3.832,347 2.885,348 3.698,349 0.8,350 9.074,351 2.736,352 3.811,353 3.049,354 5.687,355 3.512,356 2.549,357 3.077,358 0.8,359 7.631,360 2.445,361 3.547,362 2.66,363 5.278,364 3.268,365 2.319,366 2.768,367 0.563,368 6.574,369 2.202,370 3.316,371 2.45,372 5.033,373 3.09,374 2.135,375 2.373,376 0.075,377 6.051,378 2.022,379 2.939,380 1.989,381 4.451,382 2.544,383 1.547,384 2.107,386 4.208,387 1.542,388 2.857,389 1.671,390 4.285,391 2.472,392 1.505,393 1.961,395 3.899,396 1.45,397 2.613,398 1.63,399 3.909,400 2.325,401 1.348,402 1.626,404 3.284,405 1.309,406 2.5,407 1.201,408 3.553,409 2,410 1.009,411 1.5,413 2.49,414 1,415 2.249,416 1.146,417 3.414,418 1.989,419 1,420 1.179,422 2.275,423 0.984,424 2,425 1,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.715,434 0.694,435 3.085,436 1.461,437 0.478,438 0.57,440 1.149,441 0.468,442 1.323,443 0.543,444 2.732,445 1.013,446 0.035,447 0.041,449 0.081,450 0.034,451 0.837,452 0.042,453 2.407,454 0.662,455 -0.31,456 -0.348,458 -0.722,459 -0.298,460 0.613,461 -0.317,462 2,463 0.205,464 -0.794,465 -0.974,467 -1.904,468 -0.78,469 11.933,470 0.477,471 0.554,472 0.022,473 32,474 1.28,475 15,476 0.6,477 17,478 0.68,479 19.326,480 0.773,481 27.067,482 0.552,483 21.966,484 0.879,485 6.332,486 0.253,487 5.872,488 0.235,489 0.07,491 0.31,496 0.827,497 1.537,498 0.848,499 1.17,500 0.553,501 1.031,502 0.957,503 1.051,504 0.963,505 0.894,506 0.509,507 0.908,508 1.111,509 1.055,510 1.093,511 1.046,512 0.85,513 1.055,514 1.058,515 1.169,516 1.05,517 1.175,518 1.18,519 1.125,520 1.25,521 0.829,522 0.914,523 0.853,524 1.523,525 0.854,526 1.275,527 0.927,528 0.955,529 0.886,530 1.471,531 0.89,532 0.735,533 0.952,534 1.066,535 1.055,536 0.765,537 1.091,538 0.653,539 1.025,540 0.94,541 1.092,542 0.734,543 1.055,544 4.5,545 0.106,546 3.111,547 1.444,548 1.112,549 0.653,550 0.492,551 0.188,552 0.198,553 0.138,554 8191,555 17042,556 2.154,557 49,559 21,562 1,564 2,567 1.674,568 2.055,569 3.484,570 -0.356,571 1,572 1,575 70.643,576 1.442,577 3.105,578 3.95,579 4.668,580 4.865,581 4.865,582 2.939,583 4.134,584 4.616,585 3.635,586 1090.64,587 7.947,588 13486.7,590 1,592 1,593 275.121,594 1.26,595 4.592,596 0.161,597 0.007,598 0.08,599 0.038,600 0.035,601 0.024,602 0.02,603 0.009,604 0.01,605 0.008,606 0.391,607 0.67,608 1,609 0.477,610 122.296,611 0.007,612 -0.304,613 0.08,614 -0.099,615 -0.004,616 -0.019,617 0.11,618 0.122,619 0.015,620 0.079,621 0.099,622 0.045,623 -0.108,624 0.015,625 -0.12,626 -0.064,627 -0.034,628 -0.085,629 -0.036,630 -0.204,631 -0.073,632 -0.183,633 0.015,634 -0.139,635 -0.029,636 0.064,637 0.098,638 0.099,639 0.012,640 0.11,641 -0.11,642 0.029,643 0.042,644 0.09,645 -0.073,646 0.083,647 0.072,648 0.069,649 -0.112,650 -0.048,651 -0.047,652 -0.094,653 0.091,654 -0.074,655 0.018,656 -0.091,657 -0.017,658 -0.052,659 1.725,660 5.599,661 0.84,662 22.87,663 0.991,664 1.13,665 2.673,666 7.143,667 0.655,668 3.367,669 3.689,670 3.97,671 4.22,672 4.419,673 4.431,674 4.511,675 4.595,676 4.605,677 4.7,678 6.653,679 0.614,680 336.48,681 3.367,682 4.905,683 5.759,684 6.632,685 7.499,686 8.376,687 9.248,688 10.126,689 11.001,690 11.88,691 8.2,694 1,697 1,698 2,709 8,714 4,716 12,732 1,738 49,739 13,740 2,741 28,743 52,744 20,745 12,746 4,747 8,752 4,753 5,757 1,763 1,766 1,768 13,769 7,772 1,778 1,782 1,785 1,786 1,789 24,790 5,791 1,792 5,797 4,803 0.75,804 1,822 1,823 3,826 1,851 1,855 3,859 1,862 25,869 6,871 1,875 3,886 2,889 1,893 12.167,894 8.933,895 5.444,896 3.01,898 2.231,899 1.302,900 1.009,901 4.642,902 9.63,903 3.584,904 4.111,905 4.615,906 5.119,907 5.591,908 5.663,909 5.949,910 6.206,911 6.275,912 6.574,913 0.875,914 38,915 9.28,917 3.939,918 7.533,919 18.268,921 15.321,924 2.033,925 50.833,928 1,929 270.735,930 113.001,931 27.384,933 25.145,936 113.001,937 295.88,938 27.384,939 8.396,940 34.198,941 75.81,942 25.145,943 17.704,944 4.276,945 270.735,947 270.735,948 140.385,949 25.145,952 247.193,953 48.687,956 37.322,957 103.062,960 270.735,961 52.529,962 113.001,965 270.735,966 28.795,967 93.579,968 18.011,969 25.145,970 270.735,971 52.529,972 113.001,973 0.583,974 0.342,975 0.184,976 0.1,977 20,978 8,979 0.038,980 2,981 1,982 1.095,983 3.849,984 205.941,985 0.095,986 21,987 108.096,993 16.431,994 7.063,995 3.506,997 52.529,998 16.289,1003 4.321,1005 18.011,1006 436.265,1007 35,1013 12.599,1017 -0.058,1020 48.571,1021 55.355,1022 0.257,1023 0.553,1024 0.703,1025 0.831,1026 0.866,1027 0.866,1028 4.828,1029 1.348,1030 5.733,1031 3.899,1032 4.369,1033 4.796,1034 2.123,1035 6.529,1036 4.29,1037 5.993,1038 1.009,1039 7.281,1040 3.284,1041 3.892,1042 4.443,1043 1.494,1044 7.402,1045 3.741,1046 7.274,1047 1,1048 8.929,1049 2.49,1050 5.948,1051 6.846,1052 2.583,1053 10.495,1054 5.776,1055 8.587,1056 1,1057 10.637,1058 2.275,1059 6.312,1060 7.304,1061 2.523,1062 12.231,1063 6.068,1064 9.934,1065 0.478,1066 12.385,1067 2.275,1068 7.813,1069 9.192,1070 3.406,1071 14.83,1072 7.548,1073 11.304,1074 0.035,1075 14.161,1076 1.149,1077 8.569,1078 10.036,1079 3.619,1080 16.921,1081 8.238,1082 12.691,1083 -0.31,1084 15.958,1085 0.081,1086 9.841,1087 11.689,1088 4.362,1089 19.358,1090 9.484,1091 3.14,1092 -0.794,1093 17.771,1094 -0.722,1095 10.786,1096 12.74,1097 4.719,1098 21.601,1099 10.372,1100 2.885,1101 10.766,1102 19.597,1103 -1.904,1104 11.962,1105 14.269,1106 5.373,1107 23.985,1108 11.516,1109 2.549,1110 9.074,1111 21.432,1112 3.919,1113 12.999,1114 15.439,1115 5.808,1116 26.294,1117 12.502,1118 2.319,1119 7.631,1120 23.276,1121 3.698,1122 14.138,1123 16.896,1124 6.409,1125 28.662,1126 13.605,1127 2.135,1128 6.574,1129 25.127,1130 3.077,1131 15.22,1132 18.136,1133 6.887,1134 31.003,1135 14.639,1136 1.547,1137 6.051,1138 26.983,1139 2.768,1140 16.347,1141 19.551,1142 7.458,1143 33.368,1144 15.728,1145 1.505,1146 4.208,1147 28.845,1148 2.373,1149 17.451,1150 20.835,1151 7.96,1152 35.723,1153 16.788,1154 7620,1155 11126,1156 19.186,1157 32.091,1158 42.319,1159 42.895,1160 43.021,1161 41.979,1162 41.902,1163 51.639,1164 7.88,1165 119.512,1166 40.336,1167 5.392,1168 5.748,1169 6.364,1170 5.167,1171 5.14,1172 6.919,1173 2.972,1174 17.861,1175 5.011,1176 9.106,1177 1.511,1178 1.532,1179 1.536,1180 1.499,1181 1.496,1182 1.844,1183 0.281,1184 4.268,1185 1.441,1186 4.028,1187 4.068,1188 3.97,1189 3.931,1190 7.429,1191 3.934,1192 3.94,1193 3.985,1194 3.874,1195 3.848,1196 4.782,1197 3.849,1198 3.743,1199 3.809,1200 3.632,1201 3.559,1202 4.732,1203 3.567,1204 3.475,1205 3.527,1206 3.395,1207 3.297,1208 4.355,1209 3.305,1210 3.264,1211 3.343,1212 3.132,1213 3.036,1214 4.058,1215 3.06,1216 3.143,1217 3.225,1218 2.974,1219 2.941,1220 3.926,1221 2.91,1222 3.111,1223 3.206,1224 2.866,1225 2.897,1226 3.7,1227 2.901,1228 2.87,1229 2.943,1230 2.721,1231 2.735,1232 3.674,1233 2.715,1234 0.157,1235 0.134,1236 0.239,1237 0.146,1238 0.112,1239 4.392,1240 0.14,1241 3.748,1242 0.061,1243 6.682,1244 0.384,1245 4.099,1246 0.108,1247 3.14,1248 3.919,1249 1.701,1250 10.766,1251 3.011,1252 1.923,1253 1.887,1254 2.047,1255 2.067,1256 1.304,1257 2.065,1258 1.883,1259 1.856,1260 1.999,1261 1.969,1262 1.174,1263 1.977,1264 1.71,1265 1.64,1266 1.91,1267 1.907,1268 1.055,1269 1.912,1270 1.508,1271 1.444,1272 1.736,1273 1.739,1274 0.982,1275 1.737,1276 1.209,1277 1.138,1278 1.54,1279 1.484,1280 0.825,1281 1.501,1282 1.153,1283 1.064,1284 1.513,1285 1.382,1286 0.642,1287 1.429,1288 1.117,1289 1.036,1290 1.318,1291 1.376,1292 0.388,1293 1.382,1294 0.886,1295 0.821,1296 1.181,1297 1.079,1298 0.284,1299 1.107,1300 4.043,1302 5.361,1303 2.398,1304 6.876,1305 4.727,1306 8.474,1307 6.843,1308 10.113,1310 2.159,1315 5.94,1317 3.022,1321 6.561,1326 30.068,1327 70.643,1328 152.153,1329 193.537,1330 228.756,1331 238.366,1332 238.366,1333 32.469,1334 7.399,1335 38.82,1336 38.82,1337 23,1338 12.417,1339 3.807,1340 3,1341 36.22,1342 101,1343 100,1344 0.175,1345 183.725,1346 317.63,1347 440.05,1348 17182,1350 17.225,1351 0.689,1352 0.584,1353 17.225,1354 14.611,1355 12.204,1356 0.436,1357 0.318,1358 8.785,1359 11.767,1360 8.572,1361 7.076,1362 12.204,1363 8.906,1364 10.963,1365 0.281,1366 0.174,1367 10.963,1368 6.798,1369 9.443,1370 0.182,1371 0.098,1372 9.443,1373 5.119,1374 7.839,1375 0.117,1376 0.053,1377 7.839,1378 3.56,1379 6.317,1380 0.077,1381 0.03,1382 6.317,1383 2.441,1384 0.281,1385 76.016,1386 0.228,1387 24.643,1388 0.464,1389 134,1390 329.004,1391 145.345,1392 322.218,1393 449.72,1394 304,1395 158,1396 337.988,1397 170.207,1398 343.747,1399 503.76,1400 324,1401 6.796}
{0 CHEMBL1569988,1 1.452,2 10.273,3 3.943,4 15.543,5 86.573,6 7.057,7 0.522,8 3.799,9 3.92,10 3.305,11 3.359,12 4.968,13 3.319,14 4.273,15 4.445,16 3.641,17 3.721,18 5.396,19 3.659,20 4.532,21 4.714,22 3.696,23 3.86,24 5.682,25 3.766,26 4.71,27 4.974,28 3.538,29 3.754,30 5.74,31 3.634,32 4.503,33 4.767,34 3.336,35 3.518,36 5.591,37 3.408,38 4.205,39 4.461,40 3.202,41 3.312,42 5.256,43 3.235,44 3.962,45 4.1,46 3.313,47 3.25,48 5.352,49 3.244,50 4.17,51 4.345,52 3.086,53 3.256,54 5.45,55 3.205,56 0.081,57 0.564,58 8.904,59 3.969,60 10.705,61 5.261,62 0.18,63 0.865,64 15.165,65 6.588,66 24.445,67 8.903,68 0.169,69 1.095,70 19.932,71 8.136,72 31.114,73 11.194,74 0.264,75 1.172,76 26.401,77 8.911,78 50.857,79 12.659,80 0.308,81 0.947,82 21.717,83 6.854,84 53.38,85 9.778,86 0.184,87 0.703,88 15.895,89 5.269,90 33.919,91 7.367,92 0.096,93 0.581,94 11.449,95 4.092,96 26.157,97 5.139,98 0.394,99 0.64,100 15.758,101 4.492,102 63.126,103 5.366,104 27,105 32,106 0.256,107 0.555,108 0.621,109 0.707,110 0.735,111 0.735,112 3.145,113 0.924,114 -5.9,115 -5.76,116 -5.36,120 42.9,121 3,124 1,143 9,144 3,159 2,164 1,165 1,166 1,167 1,174 16,176 1,177 3,179 1,180 1,182 1,185 20,187 1,188 1,189 8,191 1,192 1,194 2,197 14,199 2,201 10,206 2,209 7,211 2,214 8,216 1,217 1,219 2,222 4,224 2,227 6,232 2,235 4,237 2,240 9,245 2,247 8,249 2,252 4,257 1,260 10,262 1,269 1,271 9,273 1,274 652,275 14.162,276 14.162,277 14.162,278 14.162,279 14.162,280 12.36,281 11.33,282 8.314,283 14.283,284 11.313,285 11.313,286 11.313,287 11.313,288 11.313,289 8.687,290 9.827,291 3.917,292 11.458,293 3.94,294 2.246,295 1.871,296 1.382,297 1.221,298 1.221,299 3.8,305 1,306 1,307 1,308 464,309 3.937,313 167.63,320 1.661,321 18.322,322 1,323 1,324 0.75,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.84,332 47,333 226,334 4.448,335 4.145,336 7.111,337 4.315,338 3.315,339 3.889,340 2.637,341 11.658,342 3.315,343 4.184,344 3.54,345 6.047,346 3.803,347 2.821,348 3.709,349 1.051,350 8.629,351 2.766,352 4.066,353 3.362,354 5.988,355 3.714,356 2.722,357 3.409,359 8.449,360 2.691,361 3.367,362 2.717,363 4.689,364 2.894,365 1.912,366 2.665,368 5.067,369 1.87,370 3.188,371 2.158,372 4.356,373 2.75,374 1.762,375 2.352,377 4.304,378 1.735,379 2.724,380 1.827,381 4.053,382 2.311,383 1.326,384 1.778,386 3.421,387 1.299,388 2.582,389 1.493,390 3.464,391 2.035,392 1.046,393 1.529,395 2.525,396 1.027,397 2.5,398 1.135,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 1.509,416 1,417 2.891,418 1.29,419 0.281,420 0.323,422 0.612,423 0.281,424 0.919,425 0.265,426 2.626,427 0.508,428 -0.511,429 -0.674,431 -1.214,432 -0.514,433 0.706,434 -0.325,435 2.12,436 0.245,437 -0.744,438 -0.964,440 -1.604,441 -0.734,442 0.5,443 -0.533,444 2,446 -1,447 -1,449 -2.347,450 -0.936,451 0.5,452 -0.692,453 2,455 -1,456 -1,458 -2.435,459 -1,460 0.412,461 -1,462 2,464 -1,465 -1.381,467 -3,468 -1,469 10.467,470 0.476,471 0.71,472 0.032,473 27.75,474 1.261,475 15,476 0.682,477 12.75,478 0.58,479 16.957,480 0.771,481 23.733,482 0.565,483 19.827,484 0.901,485 5.566,486 0.253,487 4.81,488 0.219,489 0.213,490 0.048,491 0.239,496 0.645,497 1.031,498 0.854,499 1.014,500 0.751,501 0.966,502 0.431,503 0.97,504 0.721,505 0.963,506 0.445,507 0.897,508 0.667,509 1.352,510 1.069,511 1.357,512 0.609,513 1.284,514 1.199,515 1.055,516 0.952,517 0.982,518 0.996,519 0.942,520 1.368,521 0.959,522 1.002,523 0.896,524 1.154,525 0.896,526 1.36,527 0.787,528 0.809,529 0.724,530 1.355,531 0.693,532 1.946,533 1.309,534 1.081,535 1.234,536 2.127,537 1.072,538 3.486,539 0.806,540 1.682,541 0.709,542 3.645,543 0.943,544 5.5,545 0.115,546 3.333,547 1.438,548 0.693,549 0.771,550 0.529,551 0.219,552 0.115,553 0.142,554 5047,555 12235,556 1.933,557 47.6,558 9,559 9,562 2,567 1.639,568 1.772,569 3.325,570 0.259,572 1,575 60.98,576 1.452,577 3.146,578 3.522,579 4.01,580 4.171,581 4.171,582 2.777,583 3.789,584 4.433,585 3.518,586 812.587,587 7.581,588 9309.44,590 1,592 1,593 226.477,594 1.674,595 4.355,596 0.239,597 0.01,598 0.104,599 0.046,600 0.028,601 0.039,602 0.028,603 0.01,604 0.007,605 0.011,606 0.522,607 0.33,608 0.88,609 0.891,610 103.326,611 0.11,612 0.128,613 0.026,614 0.057,615 -0.095,616 0.035,617 0.296,618 0.089,619 0.186,620 0.092,621 0.214,622 0.118,623 0.148,624 -0.302,625 -0.149,626 -0.338,627 0.129,628 -0.296,629 -0.047,630 -0.126,631 0.065,632 -0.042,633 0.003,634 0.016,635 -0.038,636 -0.012,637 0.04,638 0.017,639 0.021,640 0.036,641 -0.072,642 0.155,643 0.225,644 0.216,645 -0.023,646 0.258,647 -0.145,648 -0.265,649 -0.059,650 -0.251,651 -0.007,652 -0.156,653 -0.775,654 0.146,655 -0.536,656 0.195,657 -0.748,658 -0.102,659 2.195,660 4.957,661 0.545,662 19.058,663 0.995,664 1.123,665 4.671,666 21.818,667 0.661,668 3.178,669 3.497,670 3.638,671 3.714,672 3.85,673 3.85,674 3.892,675 3.497,676 3.555,677 3.714,678 6.215,679 0.624,680 296.4,681 3.178,682 4.71,683 5.517,684 6.372,685 7.197,686 8.05,687 8.881,688 9.734,689 10.568,690 11.421,691 4.8,692 1,700 1,709 9,714 3,716 12,738 42,739 14,740 2,741 23,743 43,744 18,745 12,746 3,747 9,748 2,752 2,753 2,759 3,760 1,768 14,769 4,772 2,778 1,781 1,782 2,786 1,789 20,790 4,791 2,792 4,797 2,799 1,803 1,804 2,823 2,848 1,855 2,859 3,862 22,863 1,872 1,876 1,886 4.8,889 1,891 1,893 12.417,894 8.367,895 4.806,896 2.354,898 2.573,899 1.409,900 0.924,901 4.865,902 8.859,903 3.466,904 4.025,905 4.511,906 4.952,907 5.427,908 5.507,909 5.786,910 5.49,911 5.864,912 6.249,913 0.857,914 31,915 8.082,917 3.297,918 7.822,919 15.243,921 11.926,924 2.322,925 51.083,928 1,929 211.88,930 130.838,931 52.297,933 36.364,936 130.838,937 248.244,938 52.297,939 26.476,940 32.897,941 85.286,942 34.664,943 40.175,945 211.88,947 211.88,948 183.135,949 36.364,952 211.88,953 36.364,956 78.773,957 104.362,960 211.88,961 88.661,962 130.838,965 211.88,966 19.076,967 111.762,969 88.661,970 211.88,971 88.661,972 130.838,973 0.59,974 0.324,975 0.145,976 0.074,977 14,978 7,979 0.116,980 5,982 1,983 3.41,984 156.677,986 12,987 85.353,993 16.091,994 6.651,995 4.352,997 88.661,998 16.445,1003 2.298,1005 32.897,1006 431.378,1007 31,1013 11.957,1016 3.687,1017 -0.361,1020 41.811,1021 47.152,1022 0.269,1023 0.583,1024 0.653,1025 0.744,1026 0.774,1027 0.774,1028 4.691,1029 1,1030 5.549,1031 2.525,1032 4.174,1033 4.71,1034 2.84,1035 6.361,1036 4.152,1037 5.92,1038 1,1039 7.133,1040 2.275,1041 4.007,1042 4.494,1044 7.582,1045 3.982,1046 7.236,1047 0.281,1048 8.838,1049 2.136,1050 5.844,1051 6.841,1052 4.606,1053 10.513,1054 5.805,1055 8.588,1056 -0.511,1057 10.614,1058 0.612,1059 6.463,1060 7.36,1062 12.521,1063 6.428,1064 9.969,1065 -0.744,1066 12.437,1067 -1.214,1068 7.857,1069 9.233,1070 6.515,1071 15.08,1072 7.814,1073 11.37,1074 -1,1075 14.29,1076 -1.604,1077 8.794,1078 10.099,1080 17.36,1081 8.755,1082 12.786,1083 -1,1084 16.165,1085 -2.347,1086 10.036,1087 11.745,1088 8.45,1089 19.825,1090 9.992,1091 3.315,1092 -1,1093 18.055,1094 -2.435,1095 11.106,1096 12.798,1098 22.207,1099 11.066,1100 2.821,1101 11.658,1102 19.957,1103 -3,1104 12.297,1105 14.319,1106 10.388,1107 24.653,1108 12.256,1109 2.722,1110 8.629,1111 21.869,1112 3.889,1113 13.425,1114 15.483,1116 27.076,1117 13.388,1118 1.912,1119 8.449,1120 23.788,1121 3.709,1122 14.603,1123 16.931,1124 12.327,1125 29.522,1126 14.566,1127 1.762,1128 5.067,1129 25.713,1130 3.409,1131 15.759,1132 18.161,1134 31.962,1135 15.726,1136 1.326,1137 4.304,1138 27.644,1139 2.665,1140 16.936,1141 19.566,1142 14.266,1143 34.411,1144 16.905,1145 1.046,1146 3.421,1147 29.579,1148 2.352,1149 18.107,1150 20.837,1152 36.859,1153 18.079,1154 5110,1155 8140,1156 14.504,1157 27.773,1158 35.18,1159 37.415,1160 34.868,1161 34.398,1162 34.371,1163 45.31,1164 7.375,1165 98.15,1166 33.967,1167 5.233,1168 6.145,1169 6.913,1170 5.335,1171 5.315,1172 6.889,1173 5.273,1174 18.551,1175 5.315,1176 13.033,1177 1.53,1178 1.627,1179 1.516,1180 1.496,1181 1.494,1182 1.97,1183 0.321,1184 4.267,1185 1.477,1186 3.986,1187 4.011,1188 3.927,1189 3.922,1190 7.433,1191 3.918,1192 3.904,1193 3.936,1194 3.841,1195 3.843,1196 5.183,1197 3.838,1198 3.62,1199 3.665,1200 3.516,1201 3.492,1202 4.728,1203 3.485,1204 3.393,1205 3.456,1206 3.31,1207 3.134,1208 4.689,1209 3.173,1210 3.116,1211 3.132,1212 3.038,1213 2.886,1214 4.524,1215 2.919,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 4.208,1221 2.715,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.854,1229 2.925,1230 2.499,1231 2.618,1232 3.674,1233 2.57,1234 0.193,1235 0.18,1236 0.309,1237 0.188,1238 0.144,1239 4.448,1240 0.169,1241 4.145,1242 0.115,1243 7.111,1244 0.507,1245 4.315,1246 0.144,1247 3.315,1248 3.889,1249 2.637,1250 11.658,1251 3.315,1252 1.961,1253 1.937,1254 2.088,1255 2.046,1256 1.285,1257 2.059,1258 1.901,1259 1.873,1260 2.019,1261 1.991,1262 1.078,1263 2.001,1264 1.615,1265 1.567,1266 1.836,1267 1.777,1268 0.945,1269 1.796,1270 1.268,1271 1.213,1272 1.429,1273 1.576,1274 0.469,1275 1.539,1276 0.989,1277 0.976,1278 1.417,1279 1.284,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.417,1285 1.239,1286 0.316,1287 1.308,1288 0.934,1289 0.821,1290 1.181,1291 1.239,1292 0.218,1293 1.224,1294 0.886,1295 0.804,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.85,1302 5.165,1304 6.666,1306 8.238,1308 9.845,1310 6.349,1313 5.775,1318 4.894,1322 0.04,1326 26.214,1327 60.98,1328 132.134,1329 147.909,1330 168.438,1331 175.193,1332 175.193,1333 42.91,1334 6.286,1335 64.68,1336 64.68,1337 12,1338 11.981,1339 3.907,1340 3.17,1341 42.561,1342 82,1343 70,1344 0.253,1345 166.808,1346 291.9,1347 398.771,1348 3882,1350 16.165,1351 0.735,1352 0.593,1353 16.165,1354 13.037,1355 10.376,1356 0.451,1357 0.308,1358 7.022,1359 10.085,1360 6.684,1361 5.7,1362 10.376,1363 7.085,1364 9.908,1365 0.31,1366 0.189,1367 9.908,1368 6.049,1369 7.333,1370 0.198,1371 0.089,1372 7.333,1373 3.283,1374 5.255,1375 0.131,1376 0.048,1377 5.255,1378 1.911,1379 3.88,1380 0.084,1381 0.025,1382 3.88,1383 1.127,1384 0.405,1385 64.485,1386 0.263,1387 22.145,1388 0.669,1389 110,1390 314.428,1391 118.671,1392 309.876,1393 418.52,1394 286,1395 124,1396 312.504,1397 132.755,1398 319.24,1399 452.94,1400 296,1401 6.796}
{0 CHEMBL1569989,1 1.459,2 10.704,3 2.898,4 8.397,5 105.47,6 7.147,7 0.567,8 4.032,9 4.139,10 3.571,11 3.565,12 5.08,13 3.544,14 4.584,15 4.749,16 3.878,17 3.946,18 5.563,19 3.905,20 4.802,21 4.995,22 3.951,23 4.096,24 5.77,25 4.014,26 4.905,27 5.143,28 3.858,29 4.056,30 5.808,31 3.947,32 4.832,33 5.063,34 3.825,35 3.989,36 5.757,37 3.895,38 4.791,39 5.002,40 3.798,41 3.977,42 5.77,43 3.882,44 4.79,45 5.019,46 3.781,47 3.984,48 5.718,49 3.883,50 4.759,51 4.992,52 3.719,53 3.957,54 5.654,55 3.848,56 0.026,57 0.699,58 11.065,59 4.945,60 8.521,61 6.34,62 0.243,63 1.15,64 21.276,65 7.832,66 21.19,67 10.237,68 0.283,69 1.399,70 26.725,71 10.371,72 31.471,73 14.063,74 0.31,75 1.454,76 31.253,77 11.509,78 39.659,79 15.9,80 0.364,81 1.356,82 29.135,83 10.427,84 39.325,85 14.202,86 0.46,87 1.295,88 27.777,89 10.054,90 49.219,91 13.491,92 0.397,93 1.332,94 27.72,95 9.846,96 42.454,97 13.631,98 0.332,99 1.284,100 26.844,101 9.776,102 34.905,103 13.49,104 2,105 40,106 0.245,107 0.561,108 0.745,109 0.817,110 0.839,111 0.839,112 3.34,113 0.931,114 -3.43,115 -3.41,116 -3.26,120 43.1,126 7,143 8,144 4,145 1,146 1,147 1,174 11,177 5,182 1,185 10,188 1,189 8,192 1,194 2,197 6,201 6,204 1,206 2,209 3,213 2,214 4,219 1,222 5,226 1,227 2,230 1,235 8,240 3,243 1,247 10,251 1,252 4,257 1,260 8,263 1,264 5,269 2,271 4,274 1216,275 18.828,276 18.828,277 18.828,278 18.828,279 18.828,280 16.745,281 20.293,282 11.557,283 19.297,284 14.866,285 14.866,286 14.866,287 14.866,288 14.866,289 11.804,290 26.531,291 5.546,292 15.597,293 4.214,294 2.325,295 1.23,296 0.799,297 0.667,298 0.667,299 4.044,305 1,306 1,307 1,308 632,309 2.739,313 301.368,317 117.331,320 1.641,321 22.045,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 58,333 289,334 4.643,335 3.368,336 6.785,337 4.189,338 3.209,339 4.595,340 1.307,341 11.122,342 3.143,343 3.899,344 2.964,345 5.931,346 3.557,347 2.608,348 3.445,349 0.916,350 8.23,351 2.497,352 3.843,353 2.848,354 5.482,355 3.507,356 2.522,357 3.285,358 0.86,359 7.106,360 2.474,361 3.6,362 2.629,363 5.338,364 3.277,365 2.327,366 2.995,367 0.447,368 6.952,369 2.196,370 3.395,371 2.367,372 5.186,373 3.098,374 2.135,375 2.455,376 0.172,377 6.297,378 2.048,379 2.943,380 2.095,381 4.074,382 2.533,383 1.572,384 2.11,386 3.49,387 1.511,388 2.906,389 1.888,390 3.706,391 2.453,392 1.508,393 2.084,395 3.203,396 1.432,397 2.572,398 1.547,399 3.653,400 2.265,401 1.363,402 1.594,404 2.979,405 1.211,406 2.5,407 1.429,408 3.593,409 2.139,410 1.218,411 1.5,413 2.845,414 1.111,415 2.441,416 1.256,417 3.433,418 2,419 1,420 1.439,422 2.162,423 1,424 2.22,425 1.073,426 3.247,427 1.952,428 1,429 1.167,431 2.136,432 0.946,433 2,434 1.02,435 3.247,436 1.839,437 0.921,438 1,440 2.136,441 0.837,442 1.757,443 1,444 3.208,445 1.482,446 0.564,447 0.643,449 1.42,450 0.512,451 1.168,452 0.427,453 2.777,454 0.944,460 1.017,461 0.049,462 2.531,463 0.64,464 -0.295,465 -0.344,467 -0.711,468 -0.273,469 12.8,470 0.474,471 0.448,472 0.017,473 34,474 1.259,475 16.5,476 0.611,477 17.5,478 0.648,479 21.542,480 0.798,481 29.2,482 0.573,483 24.659,484 0.913,485 7.038,486 0.261,487 6.272,488 0.232,489 0.026,491 0.266,496 0.908,497 1.297,498 0.82,499 1.122,500 0.911,501 0.985,502 1.423,503 1.002,504 1.057,505 0.899,506 0.95,507 0.911,508 0.898,509 1.14,510 1.029,511 1.13,512 0.783,513 1.102,514 0.958,515 1.048,516 0.942,517 1.038,518 1.067,519 0.998,520 1.125,521 0.927,522 0.983,523 0.967,524 1.182,525 0.955,526 1.21,527 1.024,528 1.083,529 1.006,530 1.624,531 1.029,532 1.038,533 0.965,534 1.029,535 0.941,536 1.176,537 0.97,538 1.031,539 0.928,540 1.035,541 0.95,542 0.928,543 0.983,544 3.5,545 0.082,546 2.222,547 1.563,548 1.24,549 0.708,550 0.505,551 0.293,552 0.176,553 0.145,554 9252,555 22154,556 2.165,557 47.1,559 22,561 1,562 1,567 1.704,568 2.104,569 3.39,570 -0.382,571 1,572 1,575 74.392,576 1.459,577 3.347,578 4.442,579 4.873,580 5.006,581 5.006,582 2.89,583 4.385,584 4.722,585 3.545,586 1244.2,587 8.219,588 16092,590 1,592 1,593 289.294,594 1.038,595 4.719,596 0.117,597 0.005,598 0.056,599 0.038,600 0.034,601 0.02,602 0.015,603 0.009,604 0.006,605 0.006,606 0.304,607 0.5,608 1,609 0.352,610 133.769,611 -0.034,612 -0.153,613 0.062,614 -0.053,615 -0.059,616 0.006,617 -0.225,618 0.098,619 -0.093,620 0.09,621 -0.129,622 0.033,623 0.029,624 -0.094,625 -0.083,626 -0.129,627 0.085,628 -0.126,629 0.017,630 -0.088,631 0.043,632 -0.059,633 0.037,634 -0.014,635 -0.014,636 0.054,637 0.017,638 -0.001,639 -0.048,640 0.011,641 0.005,642 -0.047,643 -0.084,644 -0.026,645 -0.113,646 -0.066,647 -0.017,648 0.042,649 -0.044,650 0.026,651 -0.05,652 -0.004,653 -0.063,654 0.069,655 -0.056,656 0.025,657 -0.069,658 -0.007,659 1.399,660 4.747,661 0.815,662 26.483,663 0.998,664 1.121,665 2.2,666 4.84,667 0.662,668 3.434,669 3.714,670 3.989,671 4.248,672 4.5,673 4.5,674 4.635,675 4.771,676 4.89,677 4.905,678 6.39,679 0.627,680 364.48,681 3.434,682 4.949,683 5.79,684 6.65,685 7.51,686 8.381,687 9.251,688 10.129,689 11.006,690 11.889,691 3.9,694 1,701 1,708 2,709 9,710 1,714 4,716 17,734 1,738 51,739 17,740 2,741 30,743 54,744 22,745 15,746 6,747 6,752 4,753 5,768 15,769 7,785 1,786 1,789 24,790 5,791 1,792 5,797 2,803 0.75,804 3,816 1,823 4,827 1,851 1,854 2,855 3,862 27,868 1,869 7,872 2,875 1,886 5.9,888 1,890 2,893 12.833,894 8.933,895 6.028,896 3.008,898 3.181,899 1.427,900 0.973,901 5.755,902 10.638,903 3.676,904 4.248,905 4.844,906 5.434,907 6.008,908 6.219,909 6.583,910 6.941,911 7.308,912 7.349,913 1,914 41,915 10.012,917 4.216,918 7.593,919 19.489,921 16.019,924 2.093,925 56.5,928 1,929 270.735,930 123.818,931 19.91,933 64.683,936 123.818,937 335.418,938 19.91,940 24.687,941 75.81,942 93.24,943 26.446,945 258.964,947 270.735,948 143.728,949 64.683,952 270.735,953 42.683,954 22,956 39.003,957 87.94,958 16.786,960 270.735,961 84.593,962 123.818,965 270.735,966 38.96,967 87.982,969 81.469,970 270.735,971 84.593,972 123.818,973 0.565,974 0.331,975 0.185,976 0.104,977 19,978 7,979 0.111,980 6,981 1,982 1.091,983 4.002,984 229.476,985 0.091,986 22,987 120.382,993 18.083,994 8.593,995 4.342,996 1.579,997 84.593,998 17.792,999 4.413,1003 3.354,1005 42.683,1006 479.146,1007 38.5,1020 50.905,1021 57.192,1022 0.257,1023 0.59,1024 0.783,1025 0.859,1026 0.882,1027 0.882,1028 4.885,1029 1.363,1030 5.733,1031 3.203,1032 4.394,1033 4.934,1034 2.054,1035 6.506,1036 4.31,1037 6.053,1038 1.218,1039 7.258,1040 2.979,1041 3.761,1042 4.62,1043 0.325,1044 7.33,1045 3.678,1046 7.337,1047 1,1048 8.89,1049 2.845,1050 5.932,1051 7.135,1052 2.194,1053 10.479,1054 5.792,1055 8.663,1056 1,1057 10.592,1058 2.162,1059 6.196,1060 7.758,1061 0.393,1062 12.208,1063 6.062,1064 10.029,1065 0.921,1066 12.34,1067 2.136,1068 7.769,1069 9.699,1070 2.527,1071 14.863,1072 7.589,1073 11.425,1074 0.564,1075 14.121,1076 2.136,1077 8.48,1078 10.784,1079 0.384,1080 16.972,1081 8.3,1082 12.846,1084 15.926,1085 1.42,1086 9.795,1087 12.482,1088 2.956,1089 19.468,1090 9.581,1091 3.209,1092 -0.295,1093 17.75,1095 10.734,1096 13.798,1097 0.351,1098 21.743,1099 10.515,1100 2.608,1101 11.122,1102 19.588,1103 -0.711,1104 11.942,1105 15.392,1106 3.436,1107 24.184,1108 11.697,1109 2.522,1110 8.23,1111 21.438,1112 4.595,1113 12.994,1114 16.82,1115 0.312,1116 26.533,1117 12.739,1118 2.327,1119 7.106,1120 23.297,1121 3.445,1122 14.164,1123 18.371,1124 3.942,1125 28.953,1126 13.886,1127 2.135,1128 6.952,1129 25.165,1130 3.285,1131 15.272,1132 19.851,1133 0.273,1134 31.335,1135 14.98,1136 1.572,1137 6.297,1138 27.039,1139 2.995,1140 16.43,1141 21.385,1142 4.463,1143 33.748,1144 16.118,1145 1.508,1146 3.49,1147 28.92,1148 2.455,1149 17.565,1150 22.89,1151 0.236,1152 36.145,1153 17.236,1154 8681,1155 13531,1156 20.86,1157 33.75,1158 44.071,1159 44.784,1160 44.654,1161 43.887,1162 43.895,1163 56.625,1164 7.407,1165 120.158,1166 41.838,1167 5.643,1168 5.368,1169 6.587,1170 5.292,1171 5.209,1172 7.595,1173 2.615,1174 18.658,1175 5.143,1176 6.365,1177 1.469,1178 1.493,1179 1.488,1180 1.463,1181 1.463,1182 1.887,1183 0.247,1184 4.005,1185 1.395,1186 4.097,1187 4.119,1188 4.062,1189 4.025,1190 6.469,1191 4.031,1192 3.903,1193 3.932,1194 3.829,1195 3.842,1196 4.936,1197 3.835,1198 3.783,1199 3.842,1200 3.668,1201 3.575,1202 4.78,1203 3.588,1204 3.505,1205 3.547,1206 3.41,1207 3.38,1208 4.626,1209 3.38,1210 3.373,1211 3.406,1212 3.263,1213 3.167,1214 4.507,1215 3.182,1216 3.111,1217 3.206,1218 2.968,1219 2.955,1220 4.236,1221 2.948,1222 3.094,1223 3.154,1224 2.868,1225 2.941,1226 3.907,1227 2.91,1228 2.998,1229 3.048,1230 2.866,1231 2.774,1232 3.793,1233 2.783,1234 0.155,1235 0.112,1236 0.226,1237 0.14,1238 0.107,1239 4.643,1240 0.153,1241 3.368,1242 0.044,1243 6.785,1244 0.371,1245 4.189,1246 0.105,1247 3.209,1248 4.595,1249 1.307,1250 11.122,1251 3.143,1252 2.049,1253 2.031,1254 2.116,1255 2.139,1256 1.325,1257 2.133,1258 1.902,1259 1.875,1260 2.031,1261 1.99,1262 1.196,1263 2.005,1264 1.718,1265 1.659,1266 1.929,1267 1.955,1268 1.131,1269 1.95,1270 1.486,1271 1.445,1272 1.668,1273 1.647,1274 0.825,1275 1.654,1276 1.306,1277 1.269,1278 1.545,1279 1.551,1280 0.799,1281 1.547,1282 1.153,1283 1.064,1284 1.513,1285 1.376,1286 0.725,1287 1.429,1288 1.092,1289 1.035,1290 1.367,1291 1.288,1292 0.567,1293 1.315,1294 0.926,1295 0.872,1296 1.184,1297 1.21,1298 0.342,1299 1.196,1300 4.111,1302 5.398,1304 6.899,1306 8.499,1308 10.154,1314 10.747,1315 4.946,1318 11.376,1321 2.294,1326 31.982,1327 74.392,1328 170.707,1329 226.539,1330 248.539,1331 255.294,1332 255.294,1333 39.796,1334 7.457,1335 54.82,1336 54.82,1337 24,1338 12.425,1339 4.17,1340 3.248,1341 40.052,1342 100,1343 111,1344 0.189,1345 194.387,1346 334.27,1347 466.063,1348 17980,1350 18.476,1351 0.684,1352 0.567,1353 18.476,1354 15.304,1355 13.31,1356 0.444,1357 0.31,1358 9.171,1359 12.796,1360 8.979,1361 7.386,1362 13.31,1363 9.313,1364 11.402,1365 0.285,1366 0.17,1367 11.402,1368 6.81,1369 9.778,1370 0.184,1371 0.092,1372 9.778,1373 4.897,1374 8.193,1375 0.119,1376 0.05,1377 8.193,1378 3.455,1379 6.885,1380 0.077,1381 0.027,1382 6.885,1383 2.43,1384 0.295,1385 83.502,1386 0.219,1387 25.993,1388 0.525,1389 140,1390 390.911,1391 151.663,1392 371.614,1393 506.64,1394 352,1395 163,1396 357.88,1397 176.134,1398 366.296,1399 536.91,1400 343,1401 4.44}
{0 CHEMBL1570004,1 1.705,2 9.345,3 5.423,4 29.407,5 120.429,6 8.365,7 0.606,8 4.056,9 4.155,10 3.808,11 3.683,12 5.108,13 3.623,14 4.612,15 4.772,16 4.215,17 4.088,18 5.603,19 4.013,20 4.77,21 4.966,22 4.288,23 4.17,24 5.723,25 4.087,26 4.798,27 4.969,28 4.412,29 4.286,30 5.8,31 4.201,32 4.949,33 5.111,34 4.525,35 4.421,36 5.962,37 4.281,38 4.985,39 5.156,40 4.357,41 4.391,42 5.938,43 4.226,44 4.884,45 5.081,46 4.066,47 4.205,48 5.833,49 4.032,50 4.788,51 5.03,52 3.737,53 3.981,54 5.698,55 3.827,56 0.033,57 0.773,58 10.117,59 5.084,60 8.11,61 5.904,62 0.256,63 1.355,64 25.029,65 9.035,66 21.544,67 10.597,68 0.364,69 1.541,70 27.885,71 10.004,72 27.006,73 12.608,74 0.258,75 1.663,76 26.221,77 10.269,78 24.017,79 12.28,80 0.42,81 1.887,82 41.148,83 14.7,84 39.226,85 15.351,86 0.413,87 1.929,88 47.258,89 16.002,90 34.809,91 16.562,92 0.371,93 1.721,94 41.302,95 13.98,96 33.62,97 15.562,98 0.439,99 1.464,100 31.764,101 10.846,102 38.743,103 13.698,104 21,105 48,106 0.283,107 0.641,108 0.833,109 0.859,110 0.872,111 0.872,112 3.41,113 1.08,114 -4.36,115 -4.29,116 -4.05,120 41.2,121 1,122 3,125 1,126 3,143 2,144 3,147 2,148 1,151 1,152 1,153 2,162 1,174 7,176 2,177 9,185 8,188 1,189 8,192 1,197 4,200 2,201 11,209 6,213 2,214 8,217 1,219 1,222 11,227 6,232 1,235 8,239 1,240 6,243 1,245 2,247 3,251 2,252 3,255 1,257 1,260 2,264 3,269 2,271 3,274 1100,275 20.403,276 20.403,277 20.403,278 20.403,279 20.403,280 18.221,281 17.025,282 11.927,283 21.202,284 16.183,285 16.183,286 16.183,287 16.183,288 16.183,289 12.599,290 18.376,291 5.416,292 17.376,293 3.968,294 1.815,295 0.657,296 0.5,297 0.422,298 0.422,299 4.119,306 1,307 1,308 598,309 3.464,312 137.272,313 102.625,316 222.858,319 98.626,320 1.391,321 23.311,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 62,333 271,334 4.867,335 4.332,336 7.132,337 4.377,338 3.421,339 4.957,340 2.95,341 12.484,342 3.289,343 4.434,344 3.487,345 6.691,346 4.031,347 3.079,348 4.138,349 0.8,350 10.851,351 2.921,352 4.058,353 3.205,354 6.31,355 3.683,356 2.721,357 3.625,359 9.459,360 2.616,361 3.749,362 2.843,363 5.77,364 3.394,365 2.435,366 3.198,368 7.736,369 2.327,370 3.654,371 2.589,372 5.452,373 3.193,374 2.344,375 3.011,377 6.98,378 1.992,379 3.387,380 2.481,381 5.238,382 2.861,383 1.945,384 2.763,386 6.195,387 1.793,388 3.199,389 2.064,390 4.995,391 2.805,392 1.858,393 2.41,395 5.535,396 1.712,397 2.872,398 1.972,399 4.617,400 2.466,401 1.533,402 1.967,404 4.359,405 1.413,406 2.476,407 1.67,408 4.012,409 2.169,410 1.221,411 1.469,413 3.003,414 1.149,415 2.29,416 1.48,417 3.715,418 2,419 1.037,420 1.239,422 2.343,423 1,424 2.118,425 1.3,426 3.443,427 1.971,428 1,429 1.081,431 2.035,432 0.961,433 2.104,434 1.078,435 3.275,436 1.618,437 0.745,438 0.927,440 1.567,441 0.623,442 1.992,443 0.899,444 3.084,445 1.603,446 0.618,447 0.907,449 1.467,450 0.618,451 1.766,452 0.691,453 3,454 1.502,455 0.536,456 0.644,458 1.372,459 0.517,460 1.556,461 0.618,462 2.983,463 1.175,464 0.372,465 0.426,467 0.592,468 0.293,469 14.433,470 0.498,471 0.599,472 0.021,473 36.5,474 1.259,475 17,476 0.586,477 19.5,478 0.672,479 30.18,480 1.041,481 30.567,482 0.599,483 24.211,484 0.835,485 6.285,486 0.217,487 7.96,488 0.274,489 0.092,491 0.374,496 0.898,497 1.212,498 0.714,499 0.891,500 0.894,501 0.876,502 0.948,503 1.059,504 0.89,505 0.946,506 0.812,507 0.807,508 0.83,509 1.024,510 0.644,511 0.726,512 0.73,513 0.724,514 0.907,515 0.973,516 0.774,517 0.774,518 0.791,519 0.792,520 1.092,521 1.006,522 1.203,523 1.104,524 1.052,525 1.023,526 1.251,527 1.239,528 1.662,529 1.477,530 1.194,531 1.237,532 0.84,533 1.314,534 1.564,535 1.526,536 0.841,537 1.358,538 0.846,539 0.94,540 1.039,541 1.007,542 0.783,543 1.123,544 4.5,545 0.08,546 3.111,547 2.063,548 1.945,549 1.383,550 0.912,551 0.521,552 0.338,553 0.169,554 9521,555 25213,556 2.171,557 43.1,558 6,559 11,560 1,562 1,564 3,567 1.729,568 2.047,569 3.202,570 -0.302,575 86.948,576 1.705,577 3.857,578 5.015,579 5.172,580 5.251,581 5.251,582 2.672,583 4.513,584 4.826,585 3.33,586 1352.18,587 8.459,588 17163.1,593 289.294,594 1.361,595 4.797,596 0.136,597 0.005,598 0.065,599 0.04,600 0.034,601 0.025,602 0.019,603 0.014,604 0.012,605 0.008,606 0.358,607 0.17,608 0.88,609 1.18,610 142.662,611 -0.056,612 -0.139,613 0.072,614 0.029,615 -0.066,616 0.028,617 0.017,618 0.014,619 0.083,620 0.047,621 0.021,622 0.131,623 0.097,624 0.003,625 0.217,626 0.172,627 0.067,628 0.215,629 -0.043,630 0.138,631 0.114,632 0.148,633 -0.049,634 0.117,635 -0.063,636 0.092,637 -0.027,638 0.023,639 -0.069,640 -0.059,641 -0.22,642 -0.152,643 -0.327,644 -0.243,645 -0.188,646 -0.237,647 -0.014,648 -0.25,649 -0.368,650 -0.395,651 0.009,652 -0.362,653 0.039,654 0.039,655 -0.178,656 -0.131,657 0.057,658 -0.164,659 1.408,660 3.527,661 0.724,662 25.446,663 1.003,664 1.117,665 3.126,666 9.773,667 0.707,668 3.526,669 3.892,670 4.29,671 4.682,672 4.97,673 5.247,674 5.517,675 5.749,676 5.883,677 6.031,678 5.644,679 0.659,680 426.61,681 3.526,682 5.094,683 5.999,684 6.927,685 7.858,686 8.799,687 9.741,688 10.689,689 11.637,690 12.587,691 7.8,697 1,701 3,708 4,709 3,710 3,712 1,713 1,714 6,716 20,732 1,738 51,739 20,741 33,743 55,744 21,745 13,752 5,753 11,759 2,763 3,766 3,768 13,769 8,788 1,789 22,790 6,791 1,792 8,793 2,797 4,803 0.4,804 2,805 1,816 1,817 1,822 3,823 2,826 3,829 1,853 1,855 2,856 1,857 2,859 2,862 29,868 1,869 6,873 1,875 1,880 1,886 3.9,887 1,891 1,893 14.167,894 10,895 6.5,896 3.344,898 3.888,899 1.464,900 1.008,901 5.227,902 12.275,903 3.784,904 4.472,905 5.218,906 5.972,907 6.617,908 7.219,909 7.828,910 8.405,911 8.83,912 9.274,913 1,914 51,915 10.748,917 4.642,918 7.563,919 21.04,921 17.939,924 2.063,925 59.833,929 247.193,930 145.397,931 53.481,933 52.191,935 63.497,936 81.9,937 299.384,938 53.481,939 16.016,940 11.815,941 73.375,942 50.674,943 26.477,944 20.987,945 298.919,947 247.193,948 135.381,949 52.191,950 63.497,952 211.88,953 44.821,954 42.683,956 26.551,957 58.473,958 50.357,959 63.497,960 247.193,961 105.672,962 145.397,965 247.193,966 98.69,967 49.832,969 102.547,970 247.193,971 105.672,972 145.397,973 0.573,974 0.363,975 0.22,976 0.122,977 26,978 11,979 0.109,980 6,981 3,982 1.286,983 3.879,984 287.427,985 0.286,986 21,987 140.881,989 2,993 19.286,994 7.86,995 3.146,996 4.2,997 105.672,998 5.6,999 14.737,1001 5.69,1002 1.644,1003 6.087,1005 42.683,1006 498.262,1007 43,1020 51.167,1021 56.989,1022 0.301,1023 0.68,1024 0.884,1025 0.912,1026 0.926,1027 0.926,1028 5.043,1029 1.533,1030 5.999,1031 5.535,1032 4.575,1033 5.159,1034 2.963,1035 6.909,1036 4.451,1037 6.276,1038 1.221,1039 7.609,1040 4.359,1041 4.205,1042 5.13,1043 0.325,1044 7.98,1045 4.033,1046 7.621,1047 1.037,1048 9.324,1049 3.003,1050 6.248,1051 7.522,1052 5.03,1053 11.17,1054 6.03,1055 9.014,1056 1,1057 11.1,1058 2.343,1059 6.77,1060 8.396,1061 0.268,1062 13.089,1063 6.516,1064 10.443,1065 0.745,1066 12.916,1067 2.035,1068 8.246,1069 10.245,1070 7.185,1071 15.801,1072 7.952,1073 11.9,1074 0.618,1075 14.76,1076 1.567,1077 9.154,1078 11.516,1079 0.188,1080 18.059,1081 8.827,1082 13.376,1083 0.536,1084 16.623,1085 1.467,1086 10.436,1087 13.181,1088 9.348,1089 20.622,1090 10.071,1091 3.421,1092 0.372,1093 18.5,1094 1.372,1095 11.513,1096 14.631,1097 0.125,1098 23.021,1099 11.113,1100 3.079,1101 12.484,1102 20.39,1103 0.592,1104 12.732,1105 16.236,1106 11.511,1107 25.538,1108 12.296,1109 2.721,1110 10.851,1111 22.289,1112 4.957,1113 13.882,1114 17.764,1115 0.082,1116 27.997,1117 13.408,1118 2.435,1119 9.459,1120 24.196,1121 4.138,1122 15.086,1123 19.353,1124 13.675,1125 30.503,1126 14.576,1127 2.344,1128 7.736,1129 26.109,1130 3.625,1131 16.268,1132 20.917,1133 0.054,1134 32.989,1135 15.72,1136 1.945,1137 6.98,1138 28.028,1139 3.198,1140 17.473,1141 22.505,1142 15.838,1143 35.495,1144 16.887,1145 1.858,1146 6.195,1147 29.951,1148 3.011,1149 18.671,1150 24.085,1151 0.035,1152 37.995,1153 18.047,1154 9021,1155 14830,1156 22.482,1157 36.08,1158 49.952,1159 53.411,1160 52.162,1161 50.039,1162 50.002,1163 65.813,1164 7.5,1165 152.341,1166 46.696,1167 5.714,1168 6.332,1169 6.908,1170 5.537,1171 5.421,1172 7.957,1173 5.9,1174 20.264,1175 5.289,1176 12.242,1177 1.514,1178 1.619,1179 1.581,1180 1.516,1181 1.515,1182 1.994,1183 0.227,1184 4.616,1185 1.415,1186 4.2,1187 4.214,1188 4.417,1189 4.18,1190 6.456,1191 4.149,1192 3.896,1193 3.916,1194 3.918,1195 3.785,1196 5.142,1197 3.785,1198 3.763,1199 3.8,1200 3.823,1201 3.63,1202 5.015,1203 3.633,1204 3.614,1205 3.676,1206 3.666,1207 3.448,1208 4.664,1209 3.437,1210 3.381,1211 3.424,1212 3.531,1213 3.357,1214 4.205,1215 3.255,1216 3.338,1217 3.417,1218 3.163,1219 3.124,1220 4.129,1221 3.107,1222 3.149,1223 3.224,1224 3.105,1225 3.02,1226 3.959,1227 2.991,1228 2.947,1229 3.011,1230 2.961,1231 2.805,1232 3.847,1233 2.801,1234 0.147,1235 0.131,1236 0.216,1237 0.133,1238 0.104,1239 4.867,1240 0.15,1241 4.332,1242 0.089,1243 7.132,1244 0.378,1245 4.377,1246 0.1,1247 3.421,1248 4.957,1249 2.95,1250 12.484,1251 3.289,1252 1.932,1253 1.915,1254 1.964,1255 2.03,1256 1.226,1257 2.013,1258 1.788,1259 1.764,1260 1.894,1261 1.93,1262 1.177,1263 1.929,1264 1.585,1265 1.527,1266 1.838,1267 1.757,1268 1.147,1269 1.783,1270 1.522,1271 1.462,1272 1.686,1273 1.696,1274 0.871,1275 1.72,1276 1.451,1277 1.411,1278 1.654,1279 1.598,1280 0.849,1281 1.629,1282 1.339,1283 1.259,1284 1.599,1285 1.587,1286 0.695,1287 1.599,1288 1.24,1289 1.219,1290 1.503,1291 1.457,1292 0.658,1293 1.486,1294 1.213,1295 1.199,1296 1.326,1297 1.395,1298 0.476,1299 1.413,1300 4.205,1302 5.557,1303 3.434,1304 7.116,1305 5.733,1306 8.782,1307 7.818,1308 10.512,1310 4.084,1314 9.527,1315 4.599,1319 1.548,1321 2.118,1326 33.631,1327 86.948,1328 196.725,1329 255.784,1330 263.784,1331 267.784,1332 267.784,1333 39.76,1334 8.386,1335 75.28,1336 128.82,1337 27,1338 13.077,1339 4.392,1340 3.459,1341 39.232,1342 102,1343 100,1344 0.203,1345 209.255,1346 343.94,1347 502.342,1348 47631,1350 19.957,1351 0.688,1352 0.623,1353 20.665,1354 18.068,1355 14.245,1356 0.432,1357 0.36,1358 9.898,1359 12.83,1360 9.454,1361 7.778,1362 15.211,1363 11.885,1364 12.47,1365 0.26,1366 0.184,1367 13.579,1368 8.818,1369 11.541,1370 0.16,1371 0.099,1372 12.806,1373 7.1,1374 10.548,1375 0.099,1376 0.053,1377 11.925,1378 5.712,1379 8.591,1380 0.06,1381 0.029,1382 10.219,1383 4.202,1384 0.305,1385 98.545,1386 0.211,1387 26.582,1388 0.605,1389 162,1390 446.186,1391 221.903,1392 469.879,1393 662.7,1394 446,1395 201,1396 475.604,1397 255.004,1398 506.212,1399 763.71,1400 478,1401 4.177}
{0 CHEMBL1570045,1 1.49,2 5.5,3 1.903,4 3.622,5 53.525,6 7.083,7 0.375,8 3.434,9 3.542,10 2.976,11 2.95,12 4.439,13 2.94,14 4.021,15 4.159,16 3.428,17 3.366,18 5.028,19 3.347,20 4.299,21 4.504,22 3.28,23 3.363,24 5.227,25 3.306,26 4.132,27 4.372,28 2.958,29 3.174,30 5.007,31 3.075,32 3.683,33 3.879,34 2.64,35 2.977,36 4.569,37 2.841,38 3.677,39 3.935,40 2.265,41 2.827,42 4.397,43 2.622,44 3.451,45 3.789,46 1.607,47 2.329,48 4.169,49 2.059,50 2.985,51 3.387,52 0.595,53 1.651,54 3.555,55 1.304,56 0.024,57 0.378,58 6.171,59 2.693,60 6.073,61 3.426,62 0.133,63 0.619,64 11.905,65 4.826,66 12.522,67 6.219,68 0.272,69 0.716,70 17.479,71 5.576,72 25.762,73 7.328,74 0.343,75 0.59,76 15.252,77 4.772,78 27.102,79 6.468,80 0.124,81 0.438,82 8.675,83 3.537,84 12.764,85 4.843,86 0.072,87 0.418,88 8.921,89 3.443,90 8.879,91 5.011,92 0.084,93 0.318,94 7.612,95 2.211,96 11.079,97 3.692,98 0.082,99 0.174,100 5.065,101 1.255,102 9.476,103 2.228,104 2,105 24,106 0.298,107 0.599,108 0.664,109 0.773,110 0.788,111 0.788,112 2.738,113 0.947,114 -3.17,115 -3.16,116 -3.04,120 40.7,122 4,132 1,143 3,145 3,164 1,165 1,166 1,174 4,176 1,177 6,182 2,185 4,187 2,189 7,194 1,197 1,199 1,201 1,203 1,204 1,209 4,216 1,217 1,222 6,232 2,235 2,237 2,245 2,249 2,274 120,275 9.5,276 9.5,277 9.5,278 9.5,279 9.5,280 8.723,281 11.288,282 5.457,283 9.613,284 7.905,285 7.905,286 7.905,287 7.905,288 7.905,289 6.756,290 14.952,291 2.588,292 8.131,293 3.265,294 1.76,295 1.435,296 0.889,297 0.815,298 0.815,299 3.404,306 1,307 1,308 171,309 2.121,312 49.816,313 29.257,316 42.972,320 0.929,321 12.698,324 1,325 0.67,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.83,332 30.5,333 77,334 4.536,335 3.927,336 7.275,337 4.426,338 3.447,339 3.978,340 1.392,341 13.003,342 3.375,343 4.016,344 2.887,345 6.059,346 3.681,347 2.707,348 3.259,349 0.532,350 8.753,351 2.627,352 3.406,353 2.265,354 4.956,355 3.034,356 2.074,357 2.681,359 5.777,360 1.982,361 2.879,362 1.972,363 4.508,364 2.471,365 1.527,366 2.015,368 4.355,369 1.435,370 2.384,371 1.461,372 3.798,373 2.361,374 1.364,375 1.383,377 2.939,378 1.358,379 1.694,380 0.808,381 3.618,382 1.618,383 0.618,384 0.618,386 1.464,387 0.618,388 1.618,389 0.618,390 3.447,391 1.403,392 0.474,393 0.559,395 1.23,396 0.436,397 0.922,398 0.013,399 2.89,400 0.662,401 -0.289,402 -0.325,404 -0.811,405 -0.272,406 0.573,407 -0.299,408 2.363,409 0.385,410 -0.588,411 -0.659,413 -1.626,414 -0.568,415 0.393,416 -0.682,417 2.301,418 0.044,419 -0.952,420 -1.224,422 -2.793,423 -0.947,424 -0.101,425 -0.933,426 1.675,427 -0.374,428 -1.335,429 -1.523,431 -3.533,432 -1.284,433 -0.427,434 -1.273,435 1.512,436 -0.575,437 -1.526,438 -1.618,440 -4.051,441 -1.435,442 -0.5,443 -1.51,444 1.382,445 -0.618,446 -1.618,447 -1.746,449 -5.464,450 -1.618,451 -0.618,452 -1.618,453 1.071,454 -0.971,455 -1.904,456 -2.131,458 -5.948,459 -1.776,460 -0.804,461 -1.795,462 0.705,463 -1,464 -2,465 -2.267,466 -0.532,467 -6.516,468 -1.93,469 6.567,470 0.469,471 0.398,472 0.028,473 16.75,474 1.196,475 7.5,476 0.536,477 9.25,478 0.661,479 9.944,480 0.71,481 15.633,482 0.579,483 8.608,484 0.615,485 2.876,486 0.205,487 3.899,488 0.278,489 0.061,490 0.076,491 0.228,496 0.927,497 1.109,498 0.816,499 1.074,500 1.124,501 0.936,502 0.855,503 1.261,504 0.782,505 1.23,506 0.591,507 1.032,508 1.687,509 1.016,510 1.143,511 1.005,512 1.305,513 0.986,514 1.533,515 0.658,516 1.077,517 0.678,518 1.184,519 0.789,520 0.678,521 1.194,522 1.211,523 1.268,524 0.759,525 1.337,526 0.492,527 1.294,528 1.146,529 1.304,530 0.728,531 1.343,532 0.414,533 1.075,534 1.013,535 1.011,536 1.239,537 1.077,538 0.467,539 0.43,540 0.791,541 0.487,542 1.315,543 0.624,544 4,546 1.556,547 1.396,548 0.608,549 0.289,550 0.082,551 0.041,554 1338,555 2925,556 2.182,557 48.1,558 4,559 3,562 2,565 4,567 1.511,568 2.074,569 2.556,570 0.477,574 1,575 40.222,576 1.49,577 2.995,578 3.32,579 3.866,580 3.94,581 3.94,582 1.985,583 3.236,584 3.783,585 2.565,586 233.428,587 6.313,588 1748.71,590 1,593 128.382,594 1.43,595 3.742,596 0.25,598 0.065,599 0.073,600 0.043,601 0.029,602 0.014,603 0.02,606 0.495,607 1,608 1,609 0.544,610 51.259,611 -0.068,612 0.081,613 0.062,614 0.025,615 -0.17,616 0.07,617 0.217,618 -0.21,619 0.15,620 -0.174,621 0.271,622 -0.043,623 -0.232,624 -0.088,625 -0.116,626 -0.071,627 -0.14,628 -0.072,629 -0.177,630 0.234,631 -0.044,632 0.245,633 -0.087,634 0.136,635 0.015,636 -0.173,637 -0.327,638 -0.235,639 -0.029,640 -0.337,641 -0.018,642 -0.352,643 -0.259,644 -0.315,645 -0.097,646 -0.335,647 0.02,648 -0.146,649 -0.068,650 -0.162,651 -0.138,652 -0.129,653 0.029,654 0.41,655 0.219,656 0.286,657 -0.113,658 0.306,659 1.615,660 2.334,661 0.929,662 6.143,663 1.002,664 1.126,665 1.938,666 3.756,667 0.648,668 2.833,669 3.219,670 3.497,671 3.829,672 3.989,673 4.025,674 4.094,675 4.078,676 3.664,677 3.296,678 3.431,679 0.615,680 191.25,681 2.833,682 4.394,683 5.263,684 6.184,685 7.076,686 8.001,687 8.903,688 9.828,689 10.734,690 11.658,691 3.7,695 1,709 3,714 3,716 6,728 1,735 2,738 27,739 6,740 1,741 16,743 29,744 11,745 6,746 3,747 3,752 3,753 4,763 5,766 5,768 6,769 5,786 1,789 13,790 3,791 2,792 3,797 1,803 0.333,804 2,822 2,823 1,826 1,855 1,862 14,863 1,869 4,872 2,876 1,886 7.4,891 2,893 6.75,894 4.667,895 2.944,896 1.757,898 1.23,899 1.202,900 0.999,901 1.681,902 7.314,903 2.996,904 3.57,905 4.047,906 4.584,907 5.046,908 5.151,909 5.339,910 5.576,911 5.288,912 5.051,913 0.75,914 19,915 5.196,916 0.002,917 2.302,918 7.589,919 10.175,920 0.001,921 8.923,924 2.089,925 29.25,926 0.009,929 129.482,930 51.81,931 32.897,933 22,936 51.81,937 151.482,938 32.897,940 10.138,941 61.326,943 35.243,945 129.482,947 129.482,948 84.708,949 22,952 82.398,953 69.084,956 10.138,957 74.57,960 129.482,961 54.897,962 51.81,965 129.482,966 23.382,967 28.429,969 54.897,970 129.482,971 54.897,972 51.81,973 0.596,974 0.345,975 0.194,976 0.103,977 15,978 5,981 1,982 1.231,983 2.67,984 96.96,985 0.154,986 14,987 49.303,993 8.415,994 2.796,995 1.288,997 54.897,998 5.566,1003 2.357,1005 32.897,1006 236.19,1007 19,1020 27.058,1021 30.408,1022 0.313,1023 0.63,1024 0.698,1025 0.813,1026 0.829,1027 0.829,1028 4.284,1029 -0.289,1030 5.313,1031 1.23,1032 3.892,1033 4.248,1034 1.693,1035 6.225,1036 3.833,1037 5.498,1038 -0.588,1039 6.934,1040 -0.811,1041 3.761,1042 4.182,1044 7.639,1045 3.689,1046 6.843,1047 -0.952,1048 8.672,1049 -1.626,1050 5.652,1051 6.377,1052 2.158,1053 10.659,1054 5.546,1055 8.222,1056 -1.335,1057 10.482,1058 -2.793,1059 6.347,1060 7.053,1062 12.877,1063 6.23,1064 9.633,1065 -1.526,1066 12.341,1067 -3.533,1068 7.776,1069 8.799,1070 2.745,1071 15.535,1072 7.632,1073 11.064,1074 -1.618,1075 14.233,1076 -4.051,1077 8.8,1078 9.799,1080 17.997,1081 8.642,1082 12.509,1083 -1.904,1084 16.148,1085 -5.464,1086 10.084,1087 11.365,1088 3.372,1089 20.576,1090 9.904,1091 3.447,1092 -2,1093 18.079,1094 -5.948,1095 11.235,1096 12.529,1098 23.109,1099 11.038,1100 2.707,1101 13.003,1102 20.022,1103 -6.516,1104 12.477,1105 14.009,1106 4.015,1107 25.674,1108 12.259,1109 2.074,1110 8.753,1111 21.974,1112 3.978,1113 13.677,1114 15.263,1116 28.229,1117 13.44,1118 1.527,1119 5.777,1120 23.932,1121 3.259,1122 14.909,1123 16.698,1124 4.667,1125 30.792,1126 14.652,1127 1.364,1128 4.355,1129 25.896,1130 2.681,1131 16.129,1132 18.004,1134 33.353,1135 15.852,1136 0.618,1137 2.939,1138 27.863,1139 2.015,1140 17.36,1141 19.413,1142 5.323,1143 35.917,1144 17.063,1145 0.474,1146 1.464,1147 29.834,1148 1.383,1149 18.588,1150 20.75,1152 38.481,1153 18.271,1154 1317,1155 2025,1156 10.92,1157 17.483,1158 24.439,1159 24.517,1160 25.323,1161 24.425,1162 24.423,1163 28.985,1164 3.846,1165 75.044,1166 23.663,1167 5.506,1168 5.927,1169 6.837,1170 5.473,1171 5.447,1172 6.978,1173 2.783,1174 19.784,1175 5.375,1176 4.129,1177 1.527,1178 1.532,1179 1.583,1180 1.527,1181 1.526,1182 1.812,1183 0.24,1184 4.69,1185 1.479,1186 4.008,1187 4.023,1188 3.956,1189 3.881,1190 5.149,1191 3.895,1192 3.758,1193 3.808,1194 3.642,1195 3.663,1196 4.883,1197 3.651,1198 3.166,1199 3.22,1200 3.063,1201 2.909,1202 4.222,1203 2.943,1204 2.909,1205 2.979,1206 2.77,1207 2.746,1208 3.976,1209 2.742,1210 2.869,1211 2.976,1212 2.583,1213 2.671,1214 3.862,1215 2.635,1216 2.678,1217 2.774,1218 2.476,1219 2.469,1220 3.302,1221 2.456,1222 2.361,1223 2.477,1224 2.087,1225 1.979,1226 3.209,1227 1.986,1228 1.9,1229 2.097,1230 1.628,1231 1.513,1232 2.944,1233 1.438,1234 0.283,1235 0.245,1236 0.455,1237 0.277,1238 0.215,1239 4.536,1240 0.249,1241 3.927,1242 0.087,1243 7.275,1244 0.813,1245 4.426,1246 0.211,1247 3.447,1248 3.978,1249 1.392,1250 13.003,1251 3.375,1252 1.85,1253 1.83,1254 1.944,1255 1.957,1256 1.211,1257 1.954,1258 1.577,1259 1.507,1260 1.86,1261 1.751,1262 1.108,1263 1.793,1264 1.527,1265 1.495,1266 1.737,1267 1.733,1268 1.03,1269 1.729,1270 0.957,1271 0.889,1272 1.226,1273 1.292,1274 0.181,1275 1.278,1276 0.844,1277 0.799,1278 1.086,1279 1.045,1280 0.094,1281 1.061,1282 0.353,1283 0.237,1284 0.883,1285 0.741,1286 0.037,1287 0.756,1288 0.312,1289 0.156,1290 0.746,1291 0.675,1293 0.734,1294 0.203,1295 0.098,1296 0.711,1297 0.595,1299 0.627,1300 3.497,1302 4.86,1303 3.045,1304 6.412,1305 5.416,1306 8.051,1307 7.535,1308 9.739,1313 5.682,1315 4.343,1318 11.667,1322 -0.365,1326 16.612,1327 40.222,1328 80.872,1329 89.627,1330 104.382,1331 106.382,1332 106.382,1333 15.823,1334 6.084,1335 44.48,1336 44.48,1337 16,1338 12.167,1339 2.807,1340 2,1341 18.129,1342 31,1343 24,1344 0.339,1345 100.111,1346 171.54,1347 236.03,1348 2616,1350 9.596,1351 0.685,1352 0.568,1353 9.596,1354 7.954,1355 6.774,1356 0.423,1357 0.316,1358 4.985,1359 6.516,1360 4.913,1361 4.018,1362 6.774,1363 5.05,1364 6.554,1365 0.273,1366 0.168,1367 6.554,1368 4.028,1369 5.457,1370 0.171,1371 0.091,1372 5.457,1373 2.925,1374 4.809,1375 0.107,1376 0.05,1377 4.809,1378 2.228,1379 3.693,1380 0.07,1381 0.024,1382 3.693,1383 1.26,1384 0.488,1385 42.459,1386 0.303,1387 13.745,1388 1.058,1389 80,1390 212.783,1391 90.991,1392 199.376,1393 282.45,1394 188,1395 96,1396 224.391,1397 106.91,1398 219.841,1399 330.54,1400 209,1401 5.37}
{0 CHEMBL1570216,1 1.544,2 8.056,3 3.666,4 13.439,5 68.697,6 9.059,7 0.632,8 3.473,9 3.542,10 3.188,11 3.093,12 4.733,13 3.081,14 3.916,15 4.01,16 3.531,17 3.424,18 5.295,19 3.392,20 4.133,21 4.271,22 3.618,23 3.481,24 5.403,25 3.428,26 4.127,27 4.3,28 3.348,29 3.306,30 5.327,31 3.236,32 3.93,33 4.105,34 3.162,35 3.166,36 5.119,37 3.092,38 3.833,39 3.999,40 3.155,41 3.111,42 5.174,43 3.03,44 3.669,45 3.852,46 3.064,47 3.084,48 4.781,49 2.973,50 3.544,51 3.712,52 2.985,53 2.902,54 4.814,55 2.811,56 0.078,57 0.323,58 3.988,59 2.607,60 10.138,61 2.782,62 0.23,63 0.501,64 7.504,65 4.196,66 31.927,67 4.57,68 0.286,69 0.616,70 13.211,71 5.555,72 22.238,73 6.19,74 0.383,75 0.601,76 16.162,77 5.609,78 45.347,79 5.978,80 0.281,81 0.494,82 14.295,83 4.716,84 35.347,85 5.273,86 0.44,87 0.452,88 10.573,89 4.056,90 51.471,91 4.477,92 0.157,93 0.387,94 10.75,95 3.808,96 17.498,97 4.684,98 0.114,99 0.339,100 8.199,101 3.242,102 12.37,103 3.904,104 11,105 25,106 0.296,107 0.602,108 0.729,109 0.888,110 0.919,111 0.919,112 2.959,113 0.906,114 -4.7,115 -4.62,116 -4.34,120 48.3,126 1,143 8,144 2,145 2,159 1,168 1,172 1,174 9,175 1,177 3,180 1,182 1,185 9,186 2,189 7,194 2,197 6,198 2,201 5,206 2,209 2,210 1,214 2,215 1,219 1,222 5,226 1,230 1,235 9,247 9,248 1,252 1,257 1,260 5,261 3,264 3,269 3,271 1,272 1,274 348,275 11.983,276 11.983,277 11.983,278 11.983,279 11.983,280 10.311,281 10.187,282 7.22,283 12.214,284 9.362,285 9.362,286 9.362,287 9.362,288 9.362,289 6.92,290 10.538,291 3.41,292 9.804,293 3.314,294 1.724,295 1.061,296 0.233,297 0.069,298 0.069,299 3.615,303 1,306 1,307 1,308 299,309 2.646,313 121.813,320 1.173,321 21.142,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 39.333,333 145,334 4.206,335 3.579,336 6.027,337 3.823,338 2.841,339 3.804,340 1.437,341 8.587,342 2.808,343 4.149,344 3.259,345 5.971,346 3.696,347 2.77,348 3.759,349 1.151,350 8.432,351 2.502,352 3.618,353 2.782,354 5.235,355 3.265,356 2.275,357 2.927,359 6.511,360 2.24,361 2.942,362 2.177,363 4.207,364 2.501,365 1.564,366 2.106,368 3.903,369 1.463,370 2.858,371 1.836,372 3.779,373 2.359,374 1.414,375 1.995,377 3.069,378 1.338,379 2.808,380 1.545,381 3.602,382 2.324,383 1.344,384 1.91,386 2.965,387 1.228,388 2.53,389 1.206,390 3.437,391 2.005,392 1,393 1.475,395 2.324,396 0.994,397 1.88,398 0.961,399 3.141,400 1.549,401 0.645,402 0.774,404 1.491,405 0.571,406 1.139,407 0.44,408 2.396,409 0.728,410 -0.13,411 -0.157,413 -0.291,414 -0.093,415 0.797,416 0.424,417 2,418 0.334,419 -0.596,420 -0.764,422 -1.395,423 -0.513,424 0.688,425 -0.233,426 2,427 0.22,428 -0.767,429 -0.999,431 -1.919,432 -0.734,433 0.549,434 -0.608,435 1.755,436 0.078,437 -0.899,438 -1.235,440 -2,441 -0.865,442 0.409,443 -0.728,444 1.533,445 -0.018,446 -1,447 -1.431,449 -2.349,450 -0.981,451 -0.071,452 -1.137,453 1.363,454 -0.407,455 -1.379,456 -1.826,458 -3.459,459 -1.137,460 -0.139,461 -1.224,462 1.061,463 -0.658,464 -1.414,465 -1.904,467 -3.9,468 -1.338,469 8.714,470 0.484,471 0.421,472 0.023,473 24.75,474 1.375,475 14,476 0.778,477 10.75,478 0.597,479 10.69,480 0.594,481 18.886,482 0.651,483 16.078,484 0.893,485 5.24,486 0.291,487 3.425,488 0.19,489 0.158,491 0.287,496 0.764,497 0.963,498 0.57,499 0.835,500 0.743,501 0.793,502 0.743,503 1.059,504 0.698,505 0.932,506 0.478,507 0.946,508 0.852,509 1.219,510 0.921,511 1.186,512 0.689,513 1.119,514 1.368,515 1.001,516 1.141,517 0.999,518 1.174,519 1.03,520 1.176,521 0.983,522 1.246,523 1.086,524 1.065,525 1.046,526 0.961,527 0.693,528 0.848,529 0.632,530 1.241,531 0.839,532 0.673,533 0.898,534 1.192,535 0.979,536 0.591,537 0.981,538 0.739,539 1.211,540 1.054,541 1.162,542 0.862,543 1.108,544 3.5,545 0.025,546 2,547 0.875,548 0.764,549 0.472,550 0.124,551 0.196,552 0.172,553 0.044,554 2779,555 10380,556 1.994,557 37.9,559 10,562 1,567 1.583,568 1.862,569 3.041,570 -0.28,572 1,574 1,575 44.77,576 1.544,577 3.134,578 3.797,579 4.625,580 4.789,581 4.789,582 2.441,583 3.35,584 4.147,585 3.16,586 483.55,587 7.018,588 4694.83,589 1,590 1,591 1,592 1,593 140.881,594 1.415,595 4.096,596 0.184,597 0.012,598 0.08,599 0.036,600 0.042,601 0.03,602 0.008,603 0.014,604 0.014,605 0.006,606 0.427,607 0.67,608 1,609 0.894,610 77.26,611 -0.075,612 0.033,613 -0.007,614 0.037,615 -0.123,616 0.036,617 0.071,618 -0.075,619 -0.016,620 -0.035,621 0.171,622 -0.083,623 0.032,624 -0.259,625 -0.007,626 -0.242,627 0.038,628 -0.182,629 -0.231,630 -0.04,631 -0.122,632 -0.023,633 -0.164,634 -0.054,635 -0.169,636 -0.027,637 -0.168,638 -0.099,639 -0.124,640 -0.052,641 0.129,642 0.289,643 0.031,644 0.33,645 -0.057,646 0.128,647 -0.027,648 0.055,649 -0.035,650 0.039,651 -0.016,652 0.064,653 0.007,654 -0.264,655 0.024,656 -0.173,657 0.011,658 -0.098,659 2.616,660 3.82,661 0.667,662 11.481,663 1.021,664 1.106,665 3.47,666 12.042,667 0.717,668 2.996,669 3.258,670 3.434,671 3.555,672 3.714,673 3.555,674 3.555,675 3.526,676 3.584,677 3.526,678 5.026,679 0.694,680 262.7,681 2.996,682 4.489,683 5.293,684 6.125,685 6.946,686 7.778,687 8.604,688 9.435,689 10.263,690 11.095,709 8,714 4,716 12,725 1,735 1,737 1,738 29,739 13,740 2,741 19,743 30,744 14,745 12,746 4,747 8,748 1,752 2,753 2,754 1,768 13,769 1,772 1,778 1,782 1,786 1,789 11,790 3,791 1,792 4,793 1,803 1,804 3,823 2,853 1,855 2,860 1,862 18,868 1,869 1,872 1,885 1,886 10.3,888 1,889 1,891 1,893 9.667,894 5.093,895 4.056,896 1.558,898 2.325,899 1.387,900 0.931,901 4.102,902 8.336,903 3.296,904 3.85,905 4.344,906 4.796,907 5.272,908 5.144,909 5.328,910 5.414,911 5.822,912 6.14,913 1,914 24,915 6.598,917 2.736,918 8.08,919 12.16,921 9.46,924 2.58,925 46.444,926 0.001,929 117.711,930 96.427,932 39.149,933 78.828,936 96.427,937 235.688,940 4.592,941 75.81,942 68.738,943 26.115,945 117.711,946 39.149,947 117.711,948 96.427,949 78.828,950 39.149,952 117.711,953 78.828,956 4.592,957 91.835,958 39.149,960 117.711,961 78.828,962 135.576,965 117.711,966 20.617,967 75.81,969 117.977,970 117.711,971 78.828,972 135.576,973 0.573,974 0.324,975 0.157,976 0.083,977 11,978 5,979 0.133,980 4,982 1,983 3.076,984 118.482,986 12,987 75.059,993 12.773,994 5.78,995 3.408,997 78.828,998 13.779,1003 2.15,1005 42.683,1006 332.115,1007 26,1013 10.82,1017 -0.949,1020 29.607,1021 32.063,1022 0.318,1023 0.645,1024 0.782,1025 0.952,1026 0.986,1027 0.986,1028 4.477,1029 0.645,1030 5.252,1031 2.324,1032 3.932,1033 4.533,1034 2.051,1035 5.974,1036 3.842,1037 5.668,1038 -0.13,1039 6.765,1040 1.491,1041 3.434,1042 4.205,1044 6.727,1045 3.257,1046 6.949,1047 -0.596,1048 8.378,1049 -0.291,1050 5.442,1051 6.66,1052 2.567,1053 9.736,1054 5.278,1055 8.264,1056 -0.767,1057 10.049,1058 -1.395,1059 5.74,1060 7.105,1062 11.288,1063 5.481,1064 9.607,1065 -0.899,1066 11.756,1067 -1.919,1068 7.223,1069 9.047,1070 3.146,1071 13.781,1072 6.983,1073 10.97,1074 -1,1075 13.486,1076 -2,1077 7.892,1078 9.868,1080 15.655,1081 7.566,1082 12.349,1083 -1.379,1084 15.231,1085 -2.349,1086 9.139,1087 11.559,1088 3.772,1089 17.947,1090 8.821,1091 2.841,1092 -1.414,1093 16.988,1094 -3.459,1095 9.989,1096 12.583,1098 19.965,1099 9.602,1100 2.77,1101 8.587,1102 18.753,1103 -3.9,1104 11.124,1105 14.133,1106 4.432,1107 22.172,1108 10.736,1109 2.275,1110 8.432,1111 20.523,1112 3.804,1113 12.064,1114 15.276,1116 24.256,1117 11.623,1118 1.564,1119 6.511,1120 22.297,1121 3.759,1122 13.145,1123 16.742,1124 5.115,1125 26.426,1126 12.696,1127 1.414,1128 3.903,1129 24.074,1130 2.927,1131 14.13,1132 17.956,1134 28.54,1135 13.642,1136 1.344,1137 3.069,1138 25.854,1139 2.106,1140 15.186,1141 19.372,1142 5.812,1143 30.695,1144 14.686,1145 1,1146 2.965,1147 27.636,1148 1.995,1149 16.195,1150 20.629,1152 32.824,1153 15.666,1154 2831,1155 5551,1156 12.425,1157 20.79,1158 28.086,1159 28.817,1160 28.69,1161 27.882,1162 27.704,1163 37.501,1164 5.175,1165 74.563,1166 26.289,1167 5.034,1168 5.579,1169 5.717,1170 4.87,1171 4.841,1172 6.804,1173 2.873,1174 14.554,1175 4.808,1176 8.822,1177 1.478,1178 1.517,1179 1.51,1180 1.467,1181 1.458,1182 1.974,1183 0.272,1184 3.924,1185 1.384,1186 3.963,1187 3.98,1188 4.008,1189 3.891,1190 7.475,1191 3.891,1192 3.864,1193 3.883,1194 3.87,1195 3.809,1196 6.351,1197 3.802,1198 3.35,1199 3.353,1200 3.312,1201 3.126,1202 4.995,1203 3.156,1204 3.144,1205 3.17,1206 3.276,1207 2.925,1208 4.704,1209 2.943,1210 2.88,1211 2.922,1212 3.027,1213 2.803,1214 4.404,1215 2.775,1216 2.819,1217 2.865,1218 2.689,1219 2.702,1220 4.261,1221 2.693,1222 2.627,1223 2.682,1224 2.481,1225 2.361,1226 3.63,1227 2.391,1228 2.442,1229 2.529,1230 2.346,1231 2.22,1232 3.552,1233 2.209,1234 0.221,1235 0.188,1236 0.317,1237 0.201,1238 0.15,1239 4.206,1240 0.2,1241 3.579,1242 0.076,1243 6.027,1244 0.452,1245 3.823,1246 0.148,1247 2.841,1248 3.804,1249 1.437,1250 8.587,1251 2.808,1252 1.927,1253 1.908,1254 2.03,1255 2.02,1256 1.156,1257 2.023,1258 1.853,1259 1.834,1260 1.951,1261 1.933,1262 1.032,1263 1.944,1264 1.24,1265 1.221,1266 1.456,1267 1.501,1268 0.617,1269 1.469,1270 1.055,1271 1.028,1272 1.24,1273 1.332,1274 0.227,1275 1.303,1276 0.87,1277 0.824,1278 1.127,1279 1.028,1280 0.183,1281 1.07,1282 0.808,1283 0.771,1284 0.974,1285 0.961,1286 0.077,1287 0.983,1288 0.554,1289 0.505,1290 0.883,1291 0.86,1293 0.878,1294 0.441,1295 0.36,1296 0.81,1297 0.716,1299 0.766,1300 3.664,1302 4.934,1304 6.402,1306 7.953,1308 9.541,1311 5.953,1314 8.877,1315 0.283,1318 5.533,1326 20.133,1327 44.77,1328 90.881,1329 110.127,1330 134.127,1331 138.881,1332 138.881,1333 30.072,1334 6.011,1335 46.53,1336 46.53,1337 12,1338 11.667,1339 3.807,1340 3,1341 31.11,1342 55,1343 40,1344 0.284,1345 130.106,1346 227.34,1347 309.219,1348 2716,1349 3.4,1350 12.958,1351 0.72,1352 0.568,1353 13.458,1354 10.224,1355 8.665,1356 0.456,1357 0.302,1358 5.329,1359 8.109,1360 5.182,1361 4.302,1362 8.953,1363 5.74,1364 7.636,1365 0.305,1366 0.165,1367 8.007,1368 4.132,1369 6.001,1370 0.2,1371 0.091,1372 6.381,1373 2.717,1374 4.472,1375 0.132,1376 0.05,1377 4.741,1378 1.707,1379 3.511,1380 0.088,1381 0.027,1382 3.691,1383 1.075,1384 0.444,1385 57.227,1386 0.284,1387 18.262,1388 0.779,1389 88,1390 311.824,1391 111.491,1392 327.1,1393 421.06,1394 302,1395 99,1396 269.984,1397 118.668,1398 283.61,1399 409.49,1400 265,1401 5.976}
{0 CHEMBL1570898,1 1.612,2 7.833,3 4.917,4 24.173,5 95.282,6 9.868,7 0.815,8 3.721,9 3.819,10 3.535,11 3.403,12 4.903,13 3.381,14 4.196,15 4.309,16 4.012,17 3.803,18 5.404,19 3.758,20 4.381,21 4.554,22 4.003,23 3.832,24 5.557,25 3.79,26 4.359,27 4.538,28 3.952,29 3.796,30 5.517,31 3.75,32 4.337,33 4.52,34 3.931,35 3.786,36 5.475,37 3.744,38 4.329,39 4.489,40 4,41 3.834,42 5.497,43 3.777,44 4.395,45 4.56,46 4.067,47 3.866,48 5.576,49 3.758,50 4.325,51 4.527,52 3.738,53 3.689,54 5.423,55 3.501,56 0.064,57 0.514,58 3.522,59 2.479,60 7.568,61 2.912,62 0.184,63 0.802,64 13.115,65 4.501,66 17.845,67 5.148,68 0.294,69 0.986,70 13.162,71 5.675,72 26.796,73 6.876,74 0.253,75 0.986,76 12.375,77 5.466,78 22.936,79 6.406,80 0.221,81 0.986,82 11.894,83 5.229,84 21.314,85 5.874,86 0.205,87 0.942,88 10.72,89 5.088,90 20.395,91 5.613,92 0.297,93 0.892,94 16.621,95 6.179,96 27.43,97 6.913,98 0.307,99 0.736,100 26.707,101 7.419,102 35.091,103 8.865,104 6,105 38,106 0.286,107 0.573,108 0.699,109 0.82,110 0.867,111 0.867,112 3.23,113 0.918,114 -5.28,115 -5.16,116 -4.83,120 50,129 1,143 9,144 3,147 2,150 1,152 1,153 1,167 1,174 11,176 1,177 2,182 3,185 12,188 1,189 10,194 2,197 8,201 11,204 1,206 1,209 4,214 9,217 1,219 1,222 7,227 6,230 1,232 2,235 11,240 3,245 4,247 14,252 1,257 1,260 15,271 8,274 850,275 16.552,276 16.552,277 16.552,278 16.552,279 16.552,280 14.07,281 4.53,282 9.828,283 17.106,284 13.348,285 13.348,286 13.348,287 13.348,288 13.348,289 9.651,290 4.51,291 4.652,292 14.302,293 3.558,294 1.937,295 1.226,296 0.545,297 0.278,298 0.278,299 3.93,301 2,306 1,307 1,308 412,309 2.55,312 43.168,313 195.137,316 83.105,320 1.042,321 16.95,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 50.667,333 188,334 4.652,335 3.408,336 6.877,337 4.228,338 3.251,339 4.561,340 2.011,341 11.514,342 3.182,343 4.313,344 3.192,345 6.352,346 3.86,347 2.89,348 4.039,350 9.651,351 2.815,352 3.922,353 2.851,354 5.903,355 3.518,356 2.641,357 3.403,359 8.14,360 2.341,361 3.608,362 2.28,363 5.533,364 3.189,365 2.228,366 2.987,368 6.964,369 2.093,370 3.226,371 1.857,372 4.74,373 2.744,374 1.77,375 2.544,377 4.779,378 1.718,379 3.046,380 1.653,381 4.238,382 2.519,383 1.546,384 2.318,386 3.798,387 1.501,388 2.83,389 1.546,390 3.922,391 2.347,392 1.397,393 1.976,395 3.253,396 1.329,397 2.678,398 1.333,399 3.771,400 2.174,401 1.274,402 1.75,404 2.957,405 1.123,406 2.5,407 1.095,408 3.559,409 2,410 1,411 1.5,413 2.493,414 1,415 2.5,416 1,417 3.485,418 1.962,419 1,420 1.5,422 2.476,423 0.959,424 2.349,425 1,426 3.247,427 1.789,428 1,429 1.313,431 2.136,432 0.654,433 1.981,434 0.499,435 3.099,436 1.462,437 0.499,438 0.735,440 1.197,441 0.479,442 1.108,443 0.2,444 2.659,445 0.695,446 -0.251,447 -0.327,449 -0.636,450 -0.23,451 0.744,452 -0.126,453 2.344,454 0.255,455 -0.691,456 -0.948,458 -1.775,459 -0.4,460 0.656,461 -0.63,462 2.146,463 0.151,464 -0.841,465 -1,467 -2,468 -0.644,469 12.029,470 0.501,471 0.521,472 0.022,473 35.5,474 1.479,475 20,476 0.833,477 15.5,478 0.646,479 16.629,480 0.693,481 23.371,482 0.649,483 24.23,484 1.01,485 6.958,486 0.29,487 4.779,488 0.199,489 0.119,491 0.333,496 0.613,497 0.995,498 0.49,499 0.713,500 0.685,501 0.705,502 0.754,503 1.154,504 0.734,505 0.981,506 0.823,507 0.943,508 0.479,509 1.11,510 0.536,511 0.947,512 0.49,513 0.897,514 0.728,515 1.152,516 0.594,517 0.896,518 0.67,519 0.893,520 0.997,521 1.069,522 0.623,523 0.724,524 0.898,525 0.776,526 1.076,527 1.043,528 0.778,529 0.796,530 0.993,531 0.872,532 1.228,533 0.982,534 1.233,535 1.069,536 1.17,537 1.122,538 1.547,539 0.877,540 1.833,541 1.341,542 1.553,543 1.326,544 3.5,546 2.889,547 1.569,548 1.027,549 0.865,550 0.659,551 0.394,552 0.144,553 0.085,554 5828,555 18748,556 2.161,557 33.3,559 9,560 2,562 1,567 1.679,568 2.057,569 2.965,570 -0.301,575 58.039,576 1.612,577 3.232,578 3.944,579 4.625,580 4.892,581 4.892,582 2.355,583 4.054,584 4.556,585 3.099,586 855.331,587 7.915,588 9822.95,590 1,593 186.117,594 1.281,595 4.532,596 0.13,598 0.076,599 0.04,600 0.028,601 0.023,602 0.018,603 0.012,604 0.007,605 0.011,606 0.345,607 0.5,608 1,609 0.681,610 110.847,611 0.021,612 0.042,613 0.007,614 0.027,615 -0.108,616 0.028,617 0.073,618 -0.154,619 0.018,620 -0.16,621 -0.044,622 -0.146,623 0.311,624 -0.071,625 0.127,626 -0.074,627 0.277,628 0.003,629 0.11,630 -0.088,631 0.079,632 -0.025,633 0.125,634 -0.001,635 -0.115,636 0.026,637 0.054,638 0.141,639 -0.061,640 0.102,641 -0.149,642 0.018,643 -0.005,644 0.069,645 -0.104,646 -0.017,647 -0.095,648 -0.024,649 -0.074,650 -0.08,651 -0.063,652 -0.17,653 -0.259,654 -0.065,655 -0.263,656 -0.156,657 -0.192,658 -0.173,659 2.161,660 1.835,661 0.875,662 17,663 1.013,664 1.11,665 4.045,666 16.364,667 0.765,668 3.332,669 3.664,670 3.989,671 4.29,672 4.554,673 4.682,674 4.868,675 4.949,676 4.949,677 4.963,678 5.027,679 0.733,680 355.24,681 3.332,682 4.875,683 5.746,684 6.637,685 7.531,686 8.433,687 9.336,688 10.243,689 11.15,690 12.059,691 11.1,699 1,701 3,706 1,708 2,709 10,710 3,711 1,714 5,716 22,738 36,739 22,740 2,741 27,743 39,744 18,745 17,746 3,747 9,751 1,752 4,753 5,754 2,759 1,768 17,769 1,789 12,790 3,791 1,792 6,793 2,797 4,803 0.75,818 1,822 1,823 3,826 1,855 3,860 2,862 24,874 1,885 2,893 11.667,894 6.552,895 5.25,896 2.071,898 4.286,899 1.583,900 1.038,901 4.028,902 11.638,903 3.664,904 4.321,905 5.005,906 5.668,907 6.261,908 6.641,909 7.163,910 7.607,911 7.911,912 8.3,913 1,914 39,915 8.795,917 3.784,918 7.697,919 16.71,921 13.823,924 2.197,925 52.722,929 129.482,930 113.263,931 66.897,932 78.297,936 113.263,937 207.779,938 66.897,941 94.334,942 50.112,943 33.571,944 25.686,945 184.237,947 129.482,948 180.16,950 78.297,952 131.81,956 22.299,957 105.422,958 50.112,959 78.297,960 129.482,961 66.897,962 191.561,965 129.482,966 18.93,967 94.334,968 16.786,969 128.409,970 129.482,971 66.897,972 191.561,973 0.58,974 0.346,975 0.194,976 0.11,977 20,978 8,979 0.051,980 2,981 1,982 1.095,983 3.556,984 208.739,985 0.095,986 21,987 104.039,993 15.279,994 6.327,995 2.836,996 2.085,997 50.112,998 19.761,999 12.991,1000 3.26,1003 3.561,1005 16.786,1006 387.94,1007 38,1020 36.473,1021 39.957,1022 0.312,1023 0.625,1024 0.763,1025 0.895,1026 0.946,1027 0.946,1028 4.879,1029 1.274,1030 5.727,1031 3.253,1032 4.344,1033 5.007,1034 1.966,1035 6.569,1036 4.242,1037 6.101,1038 1,1039 7.3,1040 2.957,1041 3.892,1042 4.745,1043 1.928,1044 7.548,1045 3.714,1046 7.414,1047 1,1048 8.982,1049 2.493,1050 5.953,1051 7.286,1052 2.989,1053 10.694,1054 5.792,1055 8.771,1056 1,1057 10.728,1058 2.476,1059 6.382,1060 7.93,1061 3.437,1062 12.539,1063 6.166,1064 10.164,1065 0.499,1066 12.517,1067 2.136,1068 7.885,1069 9.88,1070 4.255,1071 15.194,1072 7.672,1073 11.584,1074 -0.251,1075 14.334,1076 1.197,1077 8.71,1078 10.962,1079 4.87,1080 17.375,1081 8.464,1082 13.026,1083 -0.691,1084 16.17,1085 -0.636,1086 9.992,1087 12.654,1088 5.611,1089 19.874,1090 9.739,1091 3.251,1092 -0.841,1093 18.021,1094 -1.775,1095 10.997,1096 13.953,1097 6.281,1098 22.194,1099 10.724,1100 2.89,1101 11.514,1102 19.883,1103 -2,1104 12.194,1105 15.532,1106 6.995,1107 24.643,1108 11.909,1109 2.641,1110 9.651,1111 21.754,1112 4.561,1113 13.281,1114 16.937,1115 7.684,1116 27.024,1117 12.98,1118 2.228,1119 8.14,1120 23.631,1121 4.039,1122 14.448,1123 18.469,1124 8.388,1125 29.459,1126 14.134,1127 1.77,1128 6.964,1129 25.514,1130 3.403,1131 15.574,1132 19.924,1133 9.084,1134 31.869,1135 15.244,1136 1.546,1137 4.779,1138 27.402,1139 2.987,1140 16.733,1141 21.438,1142 9.784,1143 34.302,1144 16.388,1145 1.397,1146 3.798,1147 29.293,1148 2.544,1149 17.878,1150 22.919,1151 10.482,1152 36.725,1153 17.517,1154 5545,1155 10103,1156 18.493,1157 27.546,1158 41.434,1159 40.863,1160 41.898,1161 41.187,1162 40.989,1163 57.25,1164 4.023,1165 118.714,1166 38.389,1167 5.368,1168 5.408,1169 6.679,1170 5.299,1171 5.251,1172 7.561,1173 3.211,1174 19.06,1175 5.182,1176 8.648,1177 1.535,1178 1.513,1179 1.552,1180 1.525,1181 1.518,1182 2.12,1183 0.149,1184 4.397,1185 1.422,1186 4.145,1187 4.178,1188 4.144,1189 4.062,1190 5.173,1191 4.069,1192 3.926,1193 3.96,1194 4.034,1195 3.855,1196 4.955,1197 3.853,1198 3.699,1199 3.745,1200 3.845,1201 3.554,1202 4.839,1203 3.568,1204 3.391,1205 3.446,1206 3.53,1207 3.282,1208 4.68,1209 3.271,1210 3.18,1211 3.207,1212 3.253,1213 3.067,1214 4.307,1215 3.057,1216 2.924,1217 2.984,1218 2.951,1219 2.803,1220 4.11,1221 2.797,1222 2.854,1223 2.925,1224 2.829,1225 2.735,1226 4.026,1227 2.715,1228 2.728,1229 2.784,1230 2.754,1231 2.588,1232 3.757,1233 2.578,1234 0.172,1235 0.126,1236 0.255,1237 0.157,1238 0.12,1239 4.652,1240 0.169,1241 3.408,1242 0.074,1243 6.877,1244 0.426,1245 4.228,1246 0.118,1247 3.251,1248 4.561,1249 2.011,1250 11.514,1251 3.182,1252 1.968,1253 1.946,1254 2.05,1255 2.055,1256 1.175,1257 2.052,1258 1.899,1259 1.872,1260 2.009,1261 1.993,1262 1.089,1263 1.998,1264 1.667,1265 1.625,1266 1.734,1267 1.834,1268 0.808,1269 1.819,1270 1.401,1271 1.352,1272 1.498,1273 1.617,1274 0.616,1275 1.602,1276 1.116,1277 1.079,1278 1.214,1279 1.247,1280 0.384,1281 1.274,1282 0.966,1283 0.922,1284 1.181,1285 1.11,1286 0.255,1287 1.124,1288 0.886,1289 0.821,1290 1.134,1291 1.062,1292 0.218,1293 1.107,1294 0.761,1295 0.693,1296 1.067,1297 0.949,1298 0.119,1299 0.994,1300 4.007,1302 5.333,1303 2.398,1304 6.868,1305 4.727,1306 8.496,1307 6.843,1308 10.173,1311 11.891,1320 -0.828,1326 26.375,1327 58.039,1328 116.369,1329 141.978,1330 166.508,1331 176.117,1332 176.117,1333 29.736,1334 7.352,1335 54.46,1336 54.46,1337 23,1338 12.576,1339 4.524,1340 3.585,1341 33.455,1342 68,1343 72,1344 0.233,1345 168.428,1346 274.94,1347 402.724,1348 14340,1349 5.6,1350 16.518,1351 0.688,1352 0.582,1353 17.518,1354 13.96,1355 11.737,1356 0.435,1357 0.306,1358 7.393,1359 10.984,1360 7.173,1361 5.914,1362 12.315,1363 8.258,1364 10.493,1365 0.276,1366 0.168,1367 11.548,1368 6.378,1369 9.132,1370 0.172,1371 0.079,1372 9.604,1373 4.18,1374 7.819,1375 0.109,1376 0.04,1377 8.122,1378 2.861,1379 6.507,1380 0.069,1381 0.021,1382 6.76,1383 1.954,1384 0.348,1385 78.545,1386 0.233,1387 22.744,1388 0.702,1389 130,1390 369.675,1391 175.929,1392 426.485,1393 576.27,1394 400,1395 156,1396 390.545,1397 185.615,1398 413.753,1399 616.1,1400 390,1401 4.089}
{0 CHEMBL1570958,1 1.944,2 10.296,3 2.363,4 5.582,5 99.733,6 9.127,7 0.517,8 3.914,9 4.013,10 3.678,11 3.367,12 5.201,13 3.382,14 4.407,15 4.56,16 4.05,17 3.723,18 5.75,19 3.727,20 4.531,21 4.698,22 4.108,23 3.829,24 5.729,25 3.788,26 4.593,27 4.732,28 4.143,29 3.788,30 5.979,31 3.788,32 4.571,33 4.731,34 4.029,35 3.721,36 5.987,37 3.734,38 4.584,39 4.767,40 4,41 3.73,42 5.799,43 3.712,44 4.565,45 4.756,46 3.895,47 3.609,48 5.871,49 3.631,50 4.418,51 4.591,52 3.728,53 3.456,54 5.782,55 3.481,56 0.311,57 0.692,58 6.522,59 3.585,60 13.22,61 3.934,62 0.657,63 1.04,64 15.865,65 5.603,66 66.456,67 6.568,68 0.693,69 1.13,70 20.908,71 7.481,72 54.956,73 8.136,74 0.87,75 1.138,76 25.139,77 7.149,78 76.015,79 7.328,80 0.955,81 1.062,82 19.663,83 6.369,84 96.544,85 7.432,86 0.822,87 1.081,88 23.254,89 7.105,90 69.578,91 8.166,92 0.946,93 0.984,94 22.651,95 5.995,96 81.283,97 7.125,98 0.911,99 0.834,100 15.795,101 4.423,102 58.841,103 5.099,104 35,105 40,106 0.336,107 0.713,108 0.858,109 0.866,110 0.866,111 0.866,112 3.34,113 0.911,114 -3.04,115 -3.04,116 -2.93,120 34.9,121 1,122 1,125 1,126 2,143 1,145 3,146 1,147 2,152 1,159 1,163 1,167 4,174 1,176 4,177 4,182 1,185 1,188 1,189 5,192 2,200 4,201 8,204 3,206 1,213 6,214 2,217 3,219 1,226 5,227 2,230 2,232 1,239 5,240 2,247 1,251 7,252 1,260 1,263 5,264 5,271 1,274 1209,275 18.129,276 18.129,277 18.129,278 18.129,279 18.129,280 15.846,281 19.318,282 10.727,283 18.773,284 14.238,285 14.238,286 14.238,287 14.238,288 14.238,289 10.72,290 21.546,291 4.981,292 15.28,293 3.482,294 1.297,295 0.454,296 0.407,297 0.407,298 0.407,299 4.017,306 1,307 1,308 584,309 3.937,312 133.648,313 74.119,316 114.386,320 1.514,321 38.303,324 0.75,325 0.83,326 0.67,327 0.5,329 0.67,330 1,331 0.63,332 62,333 278,334 4.724,335 4.588,336 6.945,337 4.242,338 3.282,339 4.689,340 2.95,341 11.728,342 3.152,343 4.211,344 3.833,345 6.188,346 3.717,347 2.84,348 3.833,349 2.612,350 9.067,351 2.494,352 4.021,353 3.677,354 5.988,355 3.499,356 2.552,357 3.645,358 2.443,359 8.358,360 2.403,361 3.642,362 3.313,363 5.374,364 3.317,365 2.347,366 3.005,367 0.4,368 6.694,369 2.253,370 3.589,371 2.76,372 4.988,373 3.137,374 2.189,375 2.81,376 0.286,377 5.891,378 2.065,379 3.325,380 2.461,381 4.694,382 2.728,383 1.792,384 2.614,386 4.636,387 1.666,388 2.694,389 2.052,390 4.152,391 2.354,392 1.4,393 1.749,395 3.501,396 1.326,397 2.624,398 1.944,399 3.832,400 2.173,401 1.289,402 1.665,404 3.021,405 1.126,406 2.554,407 1.419,408 3.541,409 2.089,410 1.121,411 1.577,413 2.561,414 1.082,415 2.472,416 1.196,417 3.451,418 2.039,419 1.095,420 1.46,422 2.389,423 1.027,424 2.173,425 1.079,426 3.405,427 1.678,428 0.751,429 1.038,431 1.963,432 0.69,433 1.651,434 1.029,435 3.083,436 1.457,437 0.526,438 0.569,440 1.039,441 0.483,442 1.476,443 1,444 2.895,445 1.155,446 0.162,447 0.194,449 0.274,450 0.158,451 1.363,452 0.932,453 2.552,454 0.94,455 0.024,456 0.031,458 0.06,459 0.022,460 1,461 0.5,462 2.43,463 0.555,464 -0.365,465 -0.445,467 -0.888,468 -0.332,469 12.4,470 0.459,471 0.665,472 0.025,473 36.25,474 1.343,475 17.5,476 0.648,477 18.75,478 0.694,479 20.645,480 0.765,481 30.2,482 0.702,483 28.393,484 1.052,485 7.235,486 0.268,487 5.773,488 0.214,489 0.161,491 0.347,496 0.55,497 1.353,498 0.648,499 1.014,500 0.502,501 0.942,502 0.72,503 1.121,504 0.712,505 0.906,506 0.449,507 0.791,508 0.91,509 1.07,510 0.964,511 1.018,512 0.766,513 0.872,514 1.106,515 1.259,516 1.363,517 1.401,518 1.131,519 1.084,520 0.901,521 1.022,522 0.865,523 0.956,524 1.121,525 0.978,526 0.889,527 1.034,528 0.996,529 1.121,530 0.928,531 1.037,532 1.055,533 0.993,534 0.957,535 0.956,536 0.907,537 0.927,538 1.229,539 0.871,540 0.995,541 0.756,542 1.06,543 1.011,544 5,545 0.105,546 3.111,547 1.938,548 1.506,549 0.993,550 0.61,551 0.427,552 0.397,553 0.231,554 8021,555 30236,556 2.014,557 37.2,558 3,559 8,560 1,561 1,562 1,563 2,567 1.706,568 1.862,569 3.282,570 -0.126,571 1,572 1,575 83.607,576 1.944,577 4.129,578 4.973,579 5.019,580 5.019,581 5.019,582 2.745,583 4.505,584 4.719,585 3.497,586 1227.34,587 8.227,588 15746.9,590 1,592 1,593 233.329,594 1.487,595 4.672,596 0.172,597 0.007,598 0.078,599 0.048,600 0.037,601 0.025,602 0.017,603 0.013,604 0.014,605 0.009,606 0.42,607 0.33,608 0.88,609 1.785,610 133.089,611 0.163,612 -0.118,613 0.073,614 0.001,615 0.021,616 -0.038,617 0.088,618 -0.014,619 0.197,620 0.12,621 0.196,622 0.172,623 -0.075,624 -0.001,625 0.143,626 0.147,627 -0.046,628 0.156,629 -0.08,630 -0.161,631 -0.164,632 -0.202,633 -0.075,634 -0.132,635 0.115,636 -0.019,637 0.009,638 -0.036,639 0.008,640 -0.05,641 0.012,642 -0.022,643 0.013,644 -0.107,645 -0.101,646 -0.051,647 -0.032,648 -0.036,649 -0.024,650 -0.066,651 -0.03,652 0.014,653 -0.092,654 0.104,655 -0.205,656 0.011,657 -0.082,658 -0.165,659 2.553,660 4.551,661 0.519,662 26.807,663 1.041,664 1.14,665 1.812,666 3.283,667 0.669,668 3.401,669 3.714,670 3.989,671 4.263,672 4.407,673 4.575,674 4.718,675 4.844,676 4.875,677 4.796,678 6.222,679 0.663,680 392.44,681 3.401,682 4.934,683 5.784,684 6.666,685 7.542,686 8.436,687 9.325,688 10.226,689 11.123,690 12.03,691 14,696 1,699 1,701 3,702 1,708 2,709 3,710 3,712 1,714 4,715 1,716 15,729 1,731 1,738 43,739 18,740 1,741 29,743 45,744 15,745 9,746 5,747 1,752 3,753 4,759 1,766 1,768 10,769 5,772 3,775 1,778 3,782 1,786 1,789 16,790 9,791 1,792 12,793 1,794 1,797 6,803 0.667,804 5,822 2,823 1,826 1,841 1,855 2,856 1,857 1,859 2,862 27,869 3,871 1,872 1,873 1,886 11.6,889 1,891 2,892 2,893 14.5,894 8.5,895 6.083,896 2.557,898 2.91,899 1.405,900 0.941,901 6.184,902 10.104,903 3.701,904 4.324,905 4.907,906 5.542,907 5.973,908 6.423,909 6.848,910 7.249,911 7.476,912 7.676,913 0.857,914 40,915 9.941,917 4.217,918 8.148,919 18.127,921 14.163,924 2.648,925 71.5,928 1,929 176.567,930 105.482,931 81.559,933 96.853,935 32.22,936 73.262,937 273.419,938 81.559,939 22.892,940 9.233,941 18.524,942 118.097,943 43.953,944 11.771,945 185.244,946 50.747,947 176.567,948 154.821,949 96.853,950 32.22,952 176.567,953 46.106,954 50.747,956 33.986,957 41.176,958 79.66,959 32.22,960 176.567,961 178.411,962 105.482,965 176.567,966 60.689,967 52.362,968 18.011,969 152.831,970 176.567,971 178.411,972 105.482,973 0.575,974 0.339,975 0.179,976 0.088,977 18,978 9,979 0.2,980 9,981 1,982 1.143,983 3.789,984 227.166,985 0.143,986 14,987 126.382,989 1,993 19.45,994 8.585,995 4.337,996 0.31,997 170.842,998 5.02,999 11.716,1001 4.73,1003 1.25,1004 1.808,1005 18.011,1006 460.46,1007 39.5,1010 -0.553,1013 34.302,1017 -0.339,1020 44.742,1021 49.033,1022 0.358,1023 0.761,1024 0.916,1025 0.925,1026 0.925,1027 0.925,1028 4.925,1029 1.289,1030 5.771,1031 3.501,1032 4.394,1033 5.011,1034 3.688,1035 6.6,1036 4.26,1037 6.148,1038 1.121,1039 7.343,1040 3.021,1041 4.007,1042 4.977,1043 2.946,1044 7.579,1045 3.823,1046 7.473,1047 1.095,1048 9.02,1049 2.561,1050 5.994,1051 7.29,1052 5.564,1053 10.708,1054 5.734,1055 8.841,1056 0.751,1057 10.761,1058 2.389,1059 6.463,1060 8.128,1061 5.082,1062 12.556,1063 6.157,1064 10.243,1065 0.526,1066 12.544,1067 1.963,1068 7.909,1069 9.915,1070 7.571,1071 15.216,1072 7.543,1073 11.67,1074 0.162,1075 14.356,1076 1.039,1077 8.76,1078 11.135,1079 7.069,1080 17.414,1081 8.353,1082 13.117,1083 0.024,1084 16.19,1085 0.274,1086 10.011,1087 12.744,1088 9.632,1089 19.929,1090 9.558,1091 3.282,1092 -0.365,1093 18.04,1094 0.06,1095 11.036,1096 14.135,1097 9.001,1098 22.275,1099 10.546,1100 2.84,1101 11.728,1102 19.904,1103 -0.888,1104 12.222,1105 15.685,1106 11.724,1107 24.745,1108 11.694,1109 2.552,1110 9.067,1111 21.778,1112 4.689,1113 13.325,1114 17.153,1115 10.91,1116 27.153,1117 12.764,1118 2.347,1119 8.358,1120 23.66,1121 3.833,1122 14.494,1123 18.687,1124 13.835,1125 29.612,1126 13.899,1127 2.189,1128 6.694,1129 25.55,1130 3.645,1131 15.635,1132 20.192,1133 12.807,1134 32.049,1135 15.008,1136 1.792,1137 5.891,1138 27.445,1139 3.005,1140 16.802,1141 21.725,1142 15.96,1143 34.506,1144 16.143,1145 1.4,1146 4.636,1147 29.346,1148 2.81,1149 17.962,1150 23.248,1151 14.701,1152 36.955,1153 17.271,1154 8024,1155 15788,1156 18.898,1157 28.761,1158 42.9,1159 46.827,1160 45.347,1161 42.787,1162 42.74,1163 57.761,1164 17.383,1165 122.365,1166 39.895,1167 5.634,1168 6.588,1169 6.636,1170 5.42,1171 5.282,1172 7.689,1173 5.9,1174 19.29,1175 5.152,1176 15.197,1177 1.479,1178 1.615,1179 1.564,1180 1.475,1181 1.474,1182 1.992,1183 0.599,1184 4.219,1185 1.376,1186 4.113,1187 4.136,1188 4.193,1189 3.982,1190 7.815,1191 3.991,1192 3.893,1193 3.955,1194 3.932,1195 3.697,1196 7.432,1197 3.717,1198 3.689,1199 3.724,1200 3.602,1201 3.464,1202 6.999,1203 3.481,1204 3.568,1205 3.595,1206 3.573,1207 3.282,1208 5.381,1209 3.291,1210 3.479,1211 3.546,1212 3.39,1213 3.111,1214 4.922,1215 3.178,1216 3.218,1217 3.254,1218 3.286,1219 2.992,1220 4.537,1221 3.015,1222 3.035,1223 3.146,1224 2.978,1225 2.794,1226 4.371,1227 2.773,1228 2.952,1229 2.995,1230 2.784,1231 2.661,1232 3.971,1233 2.677,1234 0.163,1235 0.158,1236 0.239,1237 0.146,1238 0.113,1239 4.724,1240 0.162,1241 4.588,1242 0.102,1243 6.945,1244 0.404,1245 4.242,1246 0.109,1247 3.282,1248 4.689,1249 2.95,1250 11.728,1251 3.152,1252 1.933,1253 1.916,1254 1.959,1255 2.094,1256 1.166,1257 2.047,1258 1.604,1259 1.561,1260 1.856,1261 1.85,1262 1.024,1263 1.842,1264 1.559,1265 1.49,1266 1.761,1267 1.808,1268 0.967,1269 1.8,1270 1.442,1271 1.367,1272 1.714,1273 1.703,1274 0.843,1275 1.701,1276 1.317,1277 1.281,1278 1.449,1279 1.627,1280 0.43,1281 1.56,1282 1.185,1283 1.142,1284 1.229,1285 1.481,1286 0.281,1287 1.462,1288 0.937,1289 0.888,1290 1.166,1291 1.425,1292 0.216,1293 1.26,1294 0.829,1295 0.804,1296 1.056,1297 1.247,1298 0.168,1299 1.213,1300 4.078,1302 5.389,1303 3.045,1304 6.884,1305 5.283,1306 8.48,1307 7.273,1308 10.141,1310 3.521,1315 0.553,1317 2.922,1318 4.981,1319 1.279,1326 28.524,1327 83.607,1328 177.555,1329 213.82,1330 215.82,1331 215.82,1332 215.82,1333 61.2,1334 7.194,1335 140.89,1336 166.19,1337 16,1338 12.55,1339 4.248,1340 3.524,1341 46.727,1342 97,1343 123,1344 0.233,1345 180.934,1346 305.62,1347 433.239,1348 11593,1350 19.389,1351 0.718,1352 0.569,1353 19.742,1354 15.355,1355 13.007,1356 0.449,1357 0.304,1358 7.854,1359 11.627,1360 7.63,1361 6.343,1362 13.415,1363 8.809,1364 11.538,1365 0.288,1366 0.161,1367 12.18,1368 6.422,1369 9.508,1370 0.179,1371 0.089,1372 10.348,1373 4.714,1374 7.836,1375 0.112,1376 0.046,1377 8.725,1378 3.222,1379 5.663,1380 0.07,1381 0.026,1382 6.586,1383 2.131,1384 0.36,1385 88.986,1386 0.23,1387 25.756,1388 0.658,1389 138,1390 572.097,1391 188.734,1392 552.005,1393 733.86,1394 510,1395 162,1396 532.944,1397 210.444,1398 534.126,1399 772.44,1400 498,1401 5.347}
{0 CHEMBL1571538,1 1.532,2 12.423,3 2.635,4 6.945,5 99.091,6 7.384,7 0.407,8 3.938,9 4.05,10 3.477,11 3.454,12 5.115,13 3.437,14 4.447,15 4.618,16 3.8,17 3.779,18 5.62,19 3.748,20 4.644,21 4.822,22 3.863,23 3.894,24 5.885,25 3.85,26 4.737,27 4.923,28 3.802,29 3.913,30 5.942,31 3.843,32 4.766,33 4.992,34 3.748,35 3.823,36 6.104,37 3.74,38 4.685,39 4.927,40 3.53,41 3.684,42 5.837,43 3.586,44 4.525,45 4.759,46 3.494,47 3.476,48 5.755,49 3.439,50 4.254,51 4.424,52 3.379,53 3.362,54 5.674,55 3.335,56 0.038,57 0.652,58 9.552,59 4.416,60 10.612,61 5.642,62 0.313,63 1.004,64 18.053,65 6.767,66 36.022,67 9.099,68 0.509,69 1.16,70 22.89,71 8.02,72 61.257,73 10.57,74 0.381,75 1.219,76 25.338,77 9.203,78 64.231,79 12.029,80 0.703,81 1.181,82 27.922,83 9.226,84 122.953,85 12.664,86 0.463,87 1.043,88 26.324,89 8.685,90 84.539,91 11.765,92 0.504,93 0.852,94 23.072,95 6.86,96 77.553,97 9.011,98 0.422,99 0.717,100 16.148,101 5.129,102 80.428,103 6.372,104 39,105 36,106 0.261,107 0.597,108 0.768,109 0.83,110 0.861,111 0.861,112 3.303,113 0.915,114 -3.12,115 -3.11,116 -2.99,120 41.7,121 2,126 3,135 1,136 1,143 6,144 2,153 2,158 1,159 2,174 8,176 1,177 7,180 1,182 1,185 8,188 1,189 5,192 2,194 2,197 5,200 1,201 4,206 2,209 5,213 4,214 6,219 1,222 4,227 7,230 1,232 1,239 1,240 7,245 1,251 1,252 6,255 1,257 1,260 1,264 4,269 1,271 3,274 1028,275 17.181,276 17.181,277 17.181,278 17.181,279 17.181,280 15.235,281 17.069,282 10.328,283 17.395,284 13.222,285 13.222,286 13.222,287 13.222,288 13.222,289 10.16,290 17.065,291 4.782,292 13.506,293 4.053,294 2.079,295 1.079,296 0.714,297 0.531,298 0.531,299 3.962,305 1,306 1,307 1,308 662,309 4.183,312 88.547,313 106.923,320 1.852,321 34.191,323 1,324 1,325 1,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.88,332 57,333 323,334 4.556,335 3.755,336 6.75,337 4.164,338 3.193,339 4.275,340 2.487,341 10.897,342 3.108,343 4.143,344 3.627,345 6.019,346 3.796,347 2.79,348 3.671,349 1.485,350 8.544,351 2.8,352 3.789,353 3.526,354 5.852,355 3.469,356 2.49,357 3.063,358 1.063,359 7.798,360 2.421,361 3.612,362 3.143,363 5.048,364 3.269,365 2.283,366 2.811,367 0.522,368 6.089,369 2.223,370 3.264,371 2.186,372 4.81,373 2.8,374 1.8,375 2.518,376 0.331,377 4.765,378 1.793,379 3.03,380 2.111,381 4.319,382 2.682,383 1.698,384 2.176,386 4.182,387 1.667,388 2.865,389 1.944,390 4.245,391 2.478,392 1.488,393 1.869,395 3.783,396 1.466,397 2.599,398 1.723,399 3.497,400 2.147,401 1.166,402 1.589,404 2.659,405 1.138,406 2.51,407 1.438,408 3.364,409 2,410 1,411 1.5,413 2.136,414 1,415 2.5,416 1.323,417 3.247,418 1.967,419 0.983,420 1.358,422 1.964,423 0.962,424 1.82,425 1.283,426 3.037,427 1.51,428 0.546,429 0.651,431 1.209,432 0.516,433 1.606,434 1,435 2.633,436 1.185,437 0.184,438 0.229,440 0.373,441 0.18,442 1.364,443 0.53,444 2.337,445 1.016,446 0.019,447 0.023,449 0.036,450 0.019,451 0.751,452 0.427,453 2.248,454 0.281,455 -0.743,456 -0.943,458 -1.416,459 -0.75,460 0.579,461 0.047,462 1.958,463 0.222,464 -0.793,465 -1.024,467 -1.603,468 -0.787,469 12.133,470 0.467,471 0.651,472 0.025,473 31.5,474 1.212,475 15.5,476 0.596,477 16,478 0.615,479 20.432,480 0.786,481 28.667,482 0.597,483 25.626,484 0.986,485 6.89,486 0.265,487 5.545,488 0.213,489 0.206,491 0.321,496 0.68,497 1.365,498 0.79,499 1.177,500 0.579,501 1.028,502 0.748,503 1.145,504 0.82,505 0.993,506 0.581,507 0.924,508 1.056,509 1.003,510 1.048,511 0.984,512 1.025,513 1.001,514 1.168,515 1.228,516 1.165,517 1.246,518 1.25,519 1.214,520 0.887,521 0.963,522 0.962,523 1.013,524 0.874,525 1.001,526 1.193,527 0.952,528 0.994,529 0.99,530 1.211,531 0.968,532 1.611,533 0.784,534 0.917,535 0.735,536 1.379,537 0.707,538 1.648,539 1.042,540 1.25,541 1.049,542 1.571,543 1.069,544 5,545 0.143,546 3.556,547 2.326,548 1.366,549 0.757,550 0.402,551 0.304,552 0.208,553 0.17,554 8204,555 23538,556 1.931,557 45.8,559 15,562 1,563 6,567 1.685,568 1.773,569 3.577,570 -0.332,571 1,572 1,575 73.532,576 1.532,577 3.506,578 4.506,579 4.871,580 5.054,581 5.054,582 3.061,583 4.027,584 4.674,585 3.752,586 1219.53,587 8.069,588 16209.7,590 1,592 1,593 268.078,594 1.526,595 4.606,596 0.185,597 0.007,598 0.099,599 0.063,600 0.041,601 0.025,602 0.017,603 0.013,604 0.01,605 0.009,606 0.469,607 0.33,608 1,609 1.031,610 130.581,611 -0.029,612 -0.171,613 0.031,614 -0.083,615 -0.061,616 -0.025,617 0.112,618 -0.035,619 0.095,620 0.016,621 0.05,622 0.046,623 0.013,624 0.073,625 -0.092,626 -0.004,627 -0.034,628 -0.056,629 -0.108,630 -0.219,631 -0.204,632 -0.253,633 -0.117,634 -0.25,635 0.218,636 -0.017,637 0.051,638 -0.058,639 0.22,640 -0.036,641 -0.057,642 -0.065,643 0.039,644 -0.034,645 -0.084,646 0.01,647 -0.135,648 0.082,649 0.176,650 0.187,651 -0.059,652 0.231,653 -0.126,654 -0.042,655 -0.215,656 -0.108,657 -0.027,658 -0.17,659 2.331,660 5.296,661 0.423,662 25.118,663 1.007,664 1.125,665 1.886,666 3.555,667 0.655,668 3.332,669 3.611,670 3.829,671 3.989,672 4.06,673 3.912,674 3.85,675 3.738,676 3.689,677 3.664,678 7.234,679 0.629,680 354.44,681 3.332,682 4.844,683 5.666,684 6.518,685 7.362,686 8.219,687 9.072,688 9.932,689 10.791,690 11.655,691 4.2,698 1,699 1,709 6,714 4,715 1,716 11,721 1,723 1,738 48,739 15,740 1,741 27,743 49,744 20,745 10,746 1,747 5,748 2,752 2,753 2,759 2,768 15,769 5,772 4,773 1,778 3,780 1,782 3,785 1,786 1,789 22,790 5,791 1,792 6,797 2,803 1,804 4,818 1,822 1,823 1,841 1,843 1,845 1,855 2,859 2,862 26,869 3,871 1,872 1,886 8.3,889 3,891 1,893 14.667,894 9.2,895 5.972,896 2.686,898 1.812,899 1.277,900 0.933,901 6.931,902 8.353,903 3.624,904 4.139,905 4.626,906 5.083,907 5.402,908 5.319,909 5.362,910 5.184,911 5.137,912 5.192,913 1,914 37,915 9.646,917 3.983,918 8.045,919 17.821,921 13.745,924 2.545,925 66.167,928 1,929 247.193,930 137.469,931 19.91,933 86.435,936 137.469,937 333.628,938 19.91,939 17.65,940 42.581,941 66.334,942 92.464,943 19.27,944 5.513,945 247.193,947 247.193,948 157.379,949 86.435,952 247.193,953 86.435,956 46.364,957 101.539,958 9.476,960 247.193,961 106.345,962 137.469,965 247.193,966 37.718,967 85.883,968 18.011,969 102.202,970 247.193,971 106.345,972 137.469,973 0.57,974 0.336,975 0.174,976 0.092,977 14,978 8,979 0.184,980 9,982 1,983 3.794,984 195.039,986 11,987 118.211,993 19.672,994 9.16,995 5.172,997 104.445,998 10.31,1003 2.713,1004 1.96,1005 18.011,1006 491.007,1007 36.5,1008 3.699,1013 35.921,1015 1.754,1017 -1.319,1020 48.349,1021 53.986,1022 0.274,1023 0.628,1024 0.807,1025 0.872,1026 0.905,1027 0.905,1028 4.834,1029 1.166,1030 5.645,1031 3.783,1032 4.29,1033 4.824,1034 2.934,1035 6.428,1036 4.252,1037 6.029,1038 1,1039 7.2,1040 2.659,1041 3.892,1042 4.649,1043 2.243,1044 7.33,1045 3.863,1046 7.324,1047 0.983,1048 8.86,1049 2.136,1050 5.855,1051 6.945,1052 4.152,1053 10.418,1054 5.774,1055 8.657,1056 0.546,1057 10.582,1058 1.964,1059 6.293,1060 7.618,1061 4.321,1062 12.176,1063 6.216,1064 10.025,1065 0.184,1066 12.344,1067 1.209,1068 7.735,1069 9.403,1070 5.699,1071 14.791,1072 7.615,1073 11.418,1074 0.019,1075 14.134,1076 0.373,1077 8.553,1078 10.468,1079 6.258,1080 16.9,1081 8.425,1082 12.832,1083 -0.743,1084 15.944,1085 0.036,1086 9.796,1087 12.053,1088 7.399,1089 19.358,1090 9.635,1091 3.193,1092 -0.793,1093 17.771,1094 -1.416,1095 10.789,1096 13.308,1097 8.136,1098 21.619,1099 10.61,1100 2.79,1101 10.897,1102 19.609,1103 -1.603,1104 11.959,1105 14.809,1106 9.164,1107 24.024,1108 11.751,1109 2.49,1110 8.544,1111 21.457,1112 4.275,1113 13.033,1114 16.158,1115 9.987,1116 26.352,1117 12.801,1118 2.283,1119 7.798,1120 23.314,1121 3.671,1122 14.18,1123 17.624,1124 10.958,1125 28.741,1126 13.92,1127 1.8,1128 6.089,1129 25.177,1130 3.063,1131 15.291,1132 19.019,1133 11.824,1134 31.099,1135 15.005,1136 1.698,1137 4.765,1138 27.046,1139 2.811,1140 16.434,1141 20.471,1142 12.767,1143 33.484,1144 16.118,1145 1.488,1146 4.182,1147 28.92,1148 2.518,1149 17.564,1150 21.891,1151 13.654,1152 35.857,1153 17.22,1154 8272,1155 14168,1156 17.107,1157 31.443,1158 40.167,1159 42.159,1160 41.709,1161 39.255,1162 39.281,1163 51.468,1164 11.772,1165 108.869,1166 38.585,1167 5.502,1168 5.755,1169 6.552,1170 5.233,1171 5.193,1172 7.275,1173 4.311,1174 18.134,1175 5.108,1176 16.029,1177 1.488,1178 1.561,1179 1.545,1180 1.454,1181 1.455,1182 1.906,1183 0.436,1184 4.032,1185 1.429,1186 4.044,1187 4.084,1188 3.999,1189 3.92,1190 7.439,1191 3.934,1192 3.921,1193 3.948,1194 3.861,1195 3.847,1196 7.426,1197 3.845,1198 3.646,1199 3.672,1200 3.573,1201 3.418,1202 7.423,1203 3.439,1204 3.512,1205 3.565,1206 3.395,1207 3.358,1208 4.799,1209 3.366,1210 3.376,1211 3.421,1212 3.261,1213 3.167,1214 4.726,1215 3.184,1216 3.201,1217 3.285,1218 3.113,1219 3.015,1220 4.604,1221 3.007,1222 3.146,1223 3.16,1224 2.94,1225 2.936,1226 4.381,1227 2.95,1228 2.854,1229 2.947,1230 2.687,1231 2.735,1232 3.971,1233 2.715,1234 0.169,1235 0.139,1236 0.25,1237 0.154,1238 0.118,1239 4.556,1240 0.158,1241 3.755,1242 0.092,1243 6.75,1244 0.404,1245 4.164,1246 0.115,1247 3.193,1248 4.275,1249 2.487,1250 10.897,1251 3.108,1252 1.903,1253 1.878,1254 2.019,1255 2.001,1256 1.08,1257 2.005,1258 1.744,1259 1.697,1260 1.917,1261 1.935,1262 1.078,1263 1.932,1264 1.678,1265 1.648,1266 1.822,1267 1.847,1268 0.962,1269 1.83,1270 1.491,1271 1.452,1272 1.696,1273 1.73,1274 0.817,1275 1.722,1276 1.416,1277 1.352,1278 1.68,1279 1.592,1280 0.714,1281 1.629,1282 1.236,1283 1.183,1284 1.526,1285 1.502,1286 0.662,1287 1.51,1288 1.043,1289 1.019,1290 1.236,1291 1.295,1292 0.318,1293 1.259,1294 0.886,1295 0.821,1296 1.22,1297 1.12,1298 0.248,1299 1.167,1300 4.007,1302 5.293,1303 2.398,1304 6.763,1305 4.844,1306 8.314,1307 7.002,1308 9.91,1310 3.74,1315 -0.05,1317 2.464,1318 4.976,1326 30.17,1327 73.532,1328 168.265,1329 216.304,1330 233.814,1331 242.568,1332 242.568,1333 70.745,1334 6.541,1335 77.4,1336 77.4,1337 11,1338 12.204,1339 4,1340 3.392,1341 55.416,1342 115,1343 100,1344 0.234,1345 191.057,1346 341.44,1347 457.94,1348 5653,1350 19.104,1351 0.735,1352 0.575,1353 19.104,1354 14.95,1355 12.435,1356 0.461,1357 0.305,1358 8.113,1359 11.933,1360 7.828,1361 6.56,1362 12.435,1363 8.234,1364 10.801,1365 0.3,1366 0.162,1367 10.801,1368 5.817,1369 8.763,1370 0.195,1371 0.088,1372 8.763,1373 3.979,1374 6.678,1375 0.126,1376 0.049,1377 6.678,1378 2.612,1379 5.013,1380 0.088,1381 0.027,1382 5.013,1383 1.543,1384 0.38,1385 78.24,1386 0.242,1387 25.752,1388 0.608,1389 126,1390 430.92,1391 140.654,1392 407.371,1393 535.13,1394 378,1395 144,1396 371.575,1397 158.02,1398 374.207,1399 540.26,1400 350,1401 5.612}
{0 CHEMBL1571541,1 1.7,2 10.31,3 5.179,4 26.823,5 115.218,6 9.105,7 0.548,8 3.941,9 4.02,10 3.709,11 3.605,12 5.149,13 3.562,14 4.43,15 4.538,16 4.061,17 3.958,18 5.651,19 3.892,20 4.69,21 4.849,22 4.121,23 3.989,24 5.97,25 3.92,26 4.678,27 4.829,28 4.01,29 3.901,30 5.99,31 3.855,32 4.662,33 4.819,34 4.041,35 3.894,36 6.112,37 3.855,38 4.703,39 4.874,40 4.167,41 3.934,42 6.047,43 3.902,44 4.683,45 4.823,46 4.141,47 3.955,48 6.092,49 3.928,50 4.64,51 4.782,52 4.061,53 4.021,54 5.997,55 3.931,56 0.073,57 0.571,58 6.623,59 4.273,60 10.731,61 4.72,62 0.271,63 0.934,64 14.177,65 7.427,66 33.069,67 8.033,68 0.615,69 1.195,70 25.965,71 9.821,72 71.218,73 10.597,74 0.604,75 1.127,76 27.703,77 9.663,78 85.388,79 9.502,80 0.7,81 1.106,82 23.699,83 9.086,84 124.036,85 9.896,86 0.653,87 1.161,88 28.539,89 9.932,90 76.867,91 10.74,92 0.641,93 1.138,94 24.223,95 9.293,96 95.491,97 8.869,98 0.546,99 1.107,100 25.841,101 9.859,102 88.773,103 10.075,104 17,105 41,106 0.287,107 0.581,108 0.731,109 0.861,110 0.895,111 0.895,112 3.408,113 0.98,114 -4.53,115 -4.45,116 -4.19,120 46.8,122 1,126 1,128 1,143 11,144 1,145 2,152 1,153 1,158 2,159 1,174 10,176 1,177 2,182 2,185 12,188 1,189 6,192 2,194 3,197 8,201 5,204 1,206 2,209 4,213 3,214 6,219 2,222 4,227 14,230 1,232 2,235 2,240 10,245 3,247 7,251 1,252 5,257 1,260 10,264 7,271 13,274 1675,275 19.535,276 19.535,277 19.535,278 19.535,279 19.535,280 17.045,281 13.796,282 11.819,283 19.934,284 15.277,285 15.277,286 15.277,287 15.277,288 15.277,289 11.57,290 14.424,291 5.608,292 15.937,293 3.855,294 2.116,295 1.227,296 0.46,297 0.255,298 0.255,299 4.086,303 1,306 1,307 1,308 631,309 4.243,312 101.027,313 231.511,320 1.472,321 41.251,324 1,325 0.83,326 0.83,327 0.6,328 0.5,329 1,330 1,331 0.82,332 62.833,333 299,334 4.222,335 3.857,336 6.211,337 3.932,338 2.954,339 3.784,340 2.486,341 9.25,342 2.918,343 4.156,344 3.617,345 6.023,346 3.764,347 2.796,348 3.698,349 1.484,350 8.555,351 2.704,352 4.136,353 3.556,354 6.017,355 3.736,356 2.765,357 3.674,358 1.277,359 8.546,360 2.65,361 3.857,362 3.154,363 5.829,364 3.527,365 2.561,366 3.08,367 0.503,368 7.882,369 2.431,370 3.279,371 2.284,372 4.476,373 2.836,374 1.86,375 2.529,376 0.186,377 4.599,378 1.826,379 3.221,380 2.212,381 4.276,382 2.737,383 1.748,384 2.437,386 4.101,387 1.686,388 2.929,389 2.166,390 4.222,391 2.505,392 1.545,393 2.089,395 3.912,396 1.479,397 2.85,398 1.747,399 3.863,400 2.348,401 1.414,402 1.982,404 3.133,405 1.262,406 2.641,407 1.69,408 3.595,409 2.244,410 1.269,411 1.653,413 2.936,414 1.211,415 2.5,416 1.442,417 3.422,418 2,419 1,420 1.5,422 2.333,423 1,424 2.389,425 1.323,426 3.247,427 1.965,428 0.978,429 1.305,431 2.136,432 0.952,433 2.281,434 1.036,435 3.242,436 1.775,437 0.797,438 1.109,440 1.903,441 0.761,442 2.118,443 1,444 3,445 1.462,446 0.618,447 0.927,449 1.372,450 0.506,451 1.666,452 0.626,453 2.812,454 1.207,455 0.234,456 0.3,458 0.514,459 0.215,460 1.345,461 0.618,462 2.653,463 0.999,464 0.064,465 0.078,467 0.146,468 0.054,469 14.281,470 0.492,471 0.63,472 0.022,473 38.5,474 1.328,475 21,476 0.724,477 17.5,478 0.603,479 22.952,480 0.791,481 30.119,482 0.641,483 30.446,484 1.05,485 7.845,486 0.271,487 6.196,488 0.214,489 0.12,491 0.28,496 0.628,497 0.999,498 0.615,499 0.832,500 0.541,501 0.814,502 0.738,503 1.169,504 0.822,505 1.012,506 0.633,507 1.007,508 0.971,509 1.08,510 0.961,511 1.041,512 1.055,513 1.028,514 1.565,515 1.082,516 1.166,517 1.067,518 1.566,519 1.052,520 1.152,521 1.006,522 0.843,523 0.875,524 1.079,525 0.941,526 1.125,527 0.933,528 0.79,529 0.889,530 1.051,531 0.826,532 1.606,533 0.959,534 0.871,535 0.85,536 1.665,537 0.859,538 1.21,539 0.984,540 1.218,541 1.029,542 1.158,543 1.039,544 5,545 0.149,546 3.556,547 1.465,548 1.343,549 0.962,550 0.619,551 0.434,552 0.35,553 0.262,554 10474,555 35062,556 2.033,557 38.3,559 14,560 1,562 1,563 2,567 1.727,568 1.912,569 3.34,570 -0.336,575 79.9,576 1.7,577 3.439,578 4.328,579 5.095,580 5.299,581 5.299,582 2.707,583 4.513,584 4.83,585 3.532,586 1434.01,587 8.451,588 20189,593 261.066,594 1.358,595 4.792,596 0.161,597 0.005,598 0.087,599 0.037,600 0.036,601 0.025,602 0.015,603 0.01,604 0.009,605 0.007,606 0.392,607 0.17,608 1,609 0.562,610 147.441,611 -0.034,612 0.014,613 0.026,614 0.038,615 -0.042,616 0.031,617 0.037,618 -0.154,619 -0.038,620 -0.08,621 -0.01,622 -0.119,623 0.083,624 -0.06,625 -0.027,626 -0.1,627 -0.032,628 -0.089,629 -0.223,630 -0.103,631 -0.189,632 -0.14,633 -0.206,634 -0.134,635 0.107,636 -0.042,637 0.002,638 -0.017,639 0.178,640 -0.023,641 0.08,642 0.035,643 0.158,644 0.017,645 0.06,646 0.13,647 -0.215,648 0.021,649 -0.013,650 0.059,651 -0.165,652 0.035,653 -0.14,655 -0.191,656 -0.032,657 -0.041,658 -0.093,659 2.362,660 5.671,661 0.586,662 27.905,663 1.016,664 1.105,665 3.298,666 10.875,667 0.727,668 3.466,669 3.738,670 3.951,671 4.094,672 4.205,673 4.159,674 4.174,675 4.234,676 4.317,677 4.304,678 6.639,679 0.694,680 427.93,681 3.466,682 4.977,683 5.796,684 6.635,685 7.469,686 8.31,687 9.149,688 9.991,689 10.833,690 11.676,691 2.1,696 1,709 12,713 1,714 4,716 17,721 2,729 1,737 1,738 47,739 20,740 2,741 31,743 49,744 22,745 16,746 3,747 9,748 2,752 3,753 3,754 1,766 2,768 19,769 3,772 3,778 3,782 3,789 18,790 5,791 1,792 7,793 2,797 1,803 1,804 4,822 1,823 2,841 1,855 3,857 1,860 1,862 29,869 2,871 1,872 1,874 1,880 1,885 1,886 8.5,889 3,891 1,893 15.167,894 8.31,895 6.528,896 2.633,898 1.961,899 1.288,900 0.964,901 7.56,902 8.761,903 3.773,904 4.294,905 4.778,906 5.193,907 5.509,908 5.42,909 5.491,910 5.625,911 5.918,912 6.071,913 0.857,914 40,915 10.808,917 4.641,918 8.015,919 19.939,921 15.924,924 2.515,925 72.944,928 1,929 200.109,930 178.552,931 18.011,932 39.149,933 86.435,935 31.278,936 147.274,937 325.692,938 18.011,940 7.127,941 111.888,942 110.904,943 20.443,944 13.13,945 219.615,946 39.149,947 200.109,948 165.285,949 86.435,950 70.426,952 200.109,953 86.435,956 7.127,957 140.147,958 57.159,959 31.278,960 200.109,961 104.445,962 217.701,965 200.109,966 66.664,967 111.888,968 18.011,969 125.583,970 200.109,971 104.445,972 217.701,973 0.572,974 0.333,975 0.166,976 0.083,977 17,978 8,979 0.204,980 10,982 1,983 4.067,984 240.319,986 17,987 134.881,989 1,993 21.221,994 10.331,995 5.99,997 104.445,998 20.753,1002 1.276,1003 1.906,1005 18.011,1006 522.255,1007 42.5,1013 37.398,1017 -1.213,1020 47.764,1021 51.937,1022 0.306,1023 0.619,1024 0.779,1025 0.917,1026 0.954,1027 0.954,1028 4.972,1029 1.414,1030 5.753,1031 3.912,1032 4.419,1033 4.98,1034 2.976,1035 6.494,1036 4.344,1037 6.149,1038 1.269,1039 7.276,1040 3.133,1041 3.892,1042 4.575,1043 2.243,1044 7.273,1045 3.797,1046 7.424,1047 1,1048 8.902,1049 2.936,1050 5.948,1051 7.051,1052 4.193,1053 10.33,1054 5.817,1055 8.732,1056 0.978,1057 10.589,1058 2.333,1059 6.275,1060 7.484,1061 4.321,1062 11.932,1063 6.117,1064 10.072,1065 0.797,1066 12.315,1067 2.136,1068 7.755,1069 9.385,1070 5.718,1071 14.463,1072 7.575,1073 11.432,1074 0.618,1075 14.065,1076 1.903,1077 8.462,1078 10.208,1079 6.258,1080 16.382,1081 8.253,1082 12.809,1083 0.234,1084 15.831,1085 1.372,1086 9.704,1087 11.852,1088 7.405,1089 18.717,1090 9.477,1091 2.954,1092 0.064,1093 17.609,1094 0.514,1095 10.589,1096 12.879,1097 8.135,1098 20.775,1099 10.335,1100 2.796,1101 9.25,1102 19.393,1103 0.146,1104 11.725,1105 14.39,1106 9.165,1107 23.026,1108 11.456,1109 2.765,1110 8.555,1111 21.183,1112 3.784,1113 12.695,1114 15.53,1115 9.986,1116 25.149,1117 12.402,1118 2.561,1119 8.546,1120 22.977,1121 3.698,1122 13.784,1123 16.965,1124 10.958,1125 27.366,1126 13.476,1127 1.86,1128 7.882,1129 24.773,1130 3.674,1131 14.795,1132 18.172,1133 11.823,1134 29.522,1135 14.468,1136 1.748,1137 4.599,1138 26.571,1139 3.08,1140 15.863,1141 19.562,1142 12.766,1143 31.724,1144 15.522,1145 1.545,1146 4.101,1147 28.371,1148 2.529,1149 16.896,1150 20.81,1151 13.653,1152 33.898,1153 16.539,1154 10174,1155 18768,1156 20.572,1157 34.182,1158 46.102,1159 47.855,1160 46.422,1161 45.235,1162 45.201,1163 60.296,1164 11.876,1165 122.636,1166 43.307,1167 5.17,1168 5.857,1169 6.013,1170 5.028,1171 4.954,1172 6.784,1173 4.311,1174 15.635,1175 4.918,1176 13.589,1177 1.487,1178 1.544,1179 1.497,1180 1.459,1181 1.458,1182 1.945,1183 0.383,1184 3.956,1185 1.397,1186 3.973,1187 3.998,1188 4.226,1189 3.927,1190 7.437,1191 3.892,1192 3.888,1193 3.912,1194 4.013,1195 3.877,1196 7.425,1197 3.83,1198 3.876,1199 3.879,1200 3.865,1201 3.828,1202 7.423,1203 3.82,1204 3.65,1205 3.674,1206 3.608,1207 3.485,1208 4.946,1209 3.5,1210 3.396,1211 3.418,1212 3.339,1213 3.191,1214 4.727,1215 3.211,1216 3.18,1217 3.199,1218 3.291,1219 2.977,1220 4.639,1221 3.004,1222 2.938,1223 2.965,1224 3.129,1225 2.807,1226 4.389,1227 2.785,1228 2.877,1229 2.925,1230 2.841,1231 2.735,1232 4.34,1233 2.738,1234 0.136,1235 0.124,1236 0.2,1237 0.127,1238 0.095,1239 4.222,1240 0.122,1241 3.857,1242 0.08,1243 6.211,1244 0.298,1245 3.932,1246 0.094,1247 2.954,1248 3.784,1249 2.486,1250 9.25,1251 2.918,1252 1.923,1253 1.899,1254 2.037,1255 2.026,1256 1.183,1257 2.029,1258 1.879,1259 1.854,1260 1.978,1261 1.965,1262 1.064,1263 1.977,1264 1.633,1265 1.623,1266 1.776,1267 1.818,1268 0.966,1269 1.802,1270 1.555,1271 1.526,1272 1.706,1273 1.7,1274 0.858,1275 1.704,1276 1.412,1277 1.392,1278 1.542,1279 1.525,1280 0.655,1281 1.557,1282 1.137,1283 1.132,1284 1.261,1285 1.351,1286 0.439,1287 1.332,1288 1.009,1289 0.97,1290 1.181,1291 1.184,1292 0.328,1293 1.219,1294 0.886,1295 0.824,1296 1.132,1297 1.062,1298 0.218,1299 1.107,1300 4.143,1302 5.425,1303 2.398,1304 6.889,1305 4.443,1306 8.429,1307 6.293,1308 10.008,1311 6.169,1315 -0.527,1317 2.97,1318 5.199,1320 -0.987,1326 32.636,1327 79.9,1328 161.628,1329 203.402,1330 239.456,1331 249.066,1332 249.066,1333 75.561,1334 6.8,1335 72.47,1336 100.71,1337 17,1338 12.239,1339 4.392,1340 3.644,1341 52.019,1342 107,1343 113,1344 0.215,1345 209.663,1346 370.22,1347 503.339,1348 7177,1349 2.1,1350 20.64,1351 0.712,1352 0.583,1353 21.493,1354 16.911,1355 14.042,1356 0.453,1357 0.327,1358 8.884,1359 12.878,1360 8.593,1361 7.092,1362 14.785,1363 10.128,1364 12.205,1365 0.298,1366 0.184,1367 13.159,1368 7.533,1369 10.11,1370 0.198,1371 0.105,1372 11.206,1373 5.355,1374 7.59,1375 0.129,1376 0.059,1377 8.464,1378 3.474,1379 5.612,1380 0.085,1381 0.03,1382 6.09,1383 1.967,1384 0.336,1385 95.015,1386 0.22,1387 27.601,1388 0.6,1389 144,1390 492.339,1391 193.93,1392 519.397,1393 674.48,1394 482,1395 164,1396 428.598,1397 207.15,1398 456.296,1399 660.75,1400 429,1401 6.072}
{0 CHEMBL1572420,1 1.401,2 9.393,3 4.198,4 17.621,5 110.602,6 7.41,7 0.531,8 4.019,9 4.121,10 3.598,11 3.638,12 5.093,13 3.608,14 4.558,15 4.706,16 3.978,17 4.055,18 5.566,19 4.006,20 4.841,21 5.029,22 4.11,23 4.226,24 5.814,25 4.164,26 4.862,27 5.037,28 4.121,29 4.281,30 5.878,31 4.206,32 4.948,33 5.146,34 4.143,35 4.345,36 5.934,37 4.252,38 4.983,39 5.188,40 4.083,41 4.307,42 5.979,43 4.203,44 4.942,45 5.174,46 3.865,47 4.141,48 5.908,49 4.013,50 4.762,51 5.03,52 3.529,53 3.825,54 5.657,55 3.674,56 0.035,57 0.657,58 9.999,59 4.779,60 8.782,61 6.044,62 0.093,63 1.124,64 18.631,65 8.243,66 16.106,67 10.698,68 0.25,69 1.476,70 26.875,71 10.726,72 33.105,73 13.987,74 0.257,75 1.521,76 26.575,77 11.075,78 36.152,79 14.529,80 0.194,81 1.664,82 29.367,83 12.604,84 34.335,85 16.969,86 0.181,87 1.684,88 31.06,89 13.109,90 38.849,91 17.582,92 0.281,93 1.594,94 31.396,95 12.434,96 48.78,97 16.807,98 0.385,99 1.308,100 27.899,101 10.336,102 46.85,103 14.303,104 7,105 46,106 0.233,107 0.608,108 0.79,109 0.87,110 0.87,111 0.87,112 3.377,113 0.925,114 -4.25,115 -4.19,116 -3.96,120 48,121 1,122 3,123 1,126 1,137 1,139 1,143 8,144 3,145 2,146 1,147 1,157 1,174 13,177 10,182 2,185 17,189 9,194 2,197 19,201 5,204 1,206 3,209 22,213 1,214 6,219 3,222 23,227 6,232 4,235 20,240 5,243 1,245 2,247 11,251 1,252 5,255 1,260 3,263 1,264 3,271 1,274 1270,275 19.577,276 19.577,277 19.577,278 19.577,279 19.577,280 17.133,281 23.269,282 11.576,283 19.942,284 15.802,285 15.802,286 15.802,287 15.802,288 15.802,289 12.069,290 30.668,291 5.411,292 16.33,293 4.243,294 1.991,295 0.895,296 0.415,297 0.415,298 0.415,299 4.093,306 1,307 1,308 588,309 2.646,313 240.104,317 224.737,320 1.293,321 21.668,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59,333 263,334 4.736,335 3.79,336 7.201,337 4.395,338 3.406,339 4.56,340 1.36,341 12.745,342 3.37,343 4.354,344 3.103,345 6.533,346 3.906,347 2.922,348 3.936,349 0.986,350 10.208,351 2.873,352 4.036,353 2.946,354 5.925,355 3.623,356 2.65,357 3.604,358 0.86,359 8.216,360 2.581,361 3.759,362 2.782,363 5.675,364 3.322,365 2.362,366 3.204,367 0.765,368 7.515,369 2.265,370 3.616,371 2.637,372 5.333,373 3.247,374 2.296,375 2.903,377 6.879,378 2.174,379 3.291,380 2.247,381 5.046,382 2.854,383 1.895,384 2.56,386 5.68,387 1.809,388 3.156,389 1.922,390 4.743,391 2.706,392 1.725,393 2.373,395 4.873,396 1.689,397 2.883,398 1.647,399 4.401,400 2.473,401 1.486,402 2.044,404 3.917,405 1.465,406 2.623,407 1.468,408 3.816,409 2.384,410 1.405,411 1.64,413 3.051,414 1.373,415 2.5,416 1.446,417 3.626,418 2.086,419 1.147,420 1.5,422 2.642,423 1.07,424 2.342,425 1.201,426 3.414,427 2,428 1,429 1.295,431 2.275,432 1,433 2.199,434 1,435 3.369,436 1.935,437 0.985,438 1.157,440 1.883,441 0.928,442 2.061,443 0.832,444 3.185,445 1.685,446 0.718,447 0.948,449 1.679,450 0.692,451 1.33,452 0.386,453 3.042,454 0.994,455 0.033,456 0.039,458 0.078,459 0.031,460 1.156,461 0.299,462 2.779,463 0.813,464 -0.133,465 -0.146,467 -0.302,468 -0.124,469 13.467,470 0.481,471 0.586,472 0.021,473 37.75,474 1.348,475 20,476 0.714,477 17.75,478 0.634,479 24.207,480 0.865,481 28.533,482 0.571,483 27.29,484 0.975,485 7.093,486 0.253,487 6.665,488 0.238,489 0.062,491 0.371,496 0.864,497 1.066,498 0.781,499 0.953,500 0.906,501 0.875,502 0.916,503 1.094,504 0.844,505 0.985,506 0.692,507 0.92,508 1.253,509 0.918,510 0.908,511 0.824,512 1.1,513 0.824,514 1.031,515 1.001,516 1.02,517 0.978,518 1.183,519 0.993,520 0.721,521 1,522 0.947,523 1.015,524 0.91,525 1.007,526 0.868,527 1.146,528 1.017,529 1.136,530 0.997,531 1.102,532 1.015,533 1.125,534 1.094,535 1.15,536 1.21,537 1.135,538 0.937,539 0.953,540 0.999,541 1.012,542 0.893,543 1.008,544 4,545 0.074,546 2.889,547 2,548 2.418,549 1.181,550 0.704,551 0.486,552 0.266,553 0.127,554 8758,555 20298,556 2.2,557 44,558 3,559 10,561 1,562 1,563 2,564 5,567 1.72,568 2.1,569 3.102,570 -0.429,572 1,575 70.046,576 1.401,577 3.653,578 4.749,579 5.229,580 5.229,581 5.229,582 2.594,583 4.182,584 4.773,585 3.274,586 1237.67,587 8.359,588 15256.1,590 1,592 1,593 282.193,594 1.264,595 4.757,596 0.125,597 0.006,598 0.063,599 0.038,600 0.046,601 0.022,602 0.015,603 0.014,604 0.011,605 0.007,606 0.348,607 0.5,608 0.88,609 0.787,610 135.718,611 -0.035,612 -0.029,613 0.054,614 0.031,615 -0.072,616 0.048,617 -0.028,618 -0.072,619 0.047,620 -0.007,621 0.016,622 0.022,623 -0.126,624 0.101,625 0.051,626 0.143,627 -0.093,628 0.122,629 -0.063,630 0.024,631 -0.096,632 -0.009,633 -0.07,634 -0.049,635 -0.002,636 0.003,637 -0.025,638 -0.032,639 0.004,640 -0.031,641 -0.021,642 -0.17,643 -0.071,644 -0.151,645 0.016,646 -0.123,647 0.012,648 -0.157,649 -0.098,650 -0.173,651 -0.025,652 -0.153,653 0.203,654 0.002,655 0.054,656 -0.038,657 0.105,658 -0.009,659 1.383,660 4.831,661 0.857,662 22.408,663 0.994,664 1.111,665 3.021,666 9.126,667 0.691,668 3.497,669 3.85,670 4.22,671 4.595,672 4.956,673 5.13,674 5.361,675 5.583,676 5.753,677 5.778,678 5.442,679 0.655,680 370.48,681 3.497,682 5.056,683 5.948,684 6.864,685 7.781,686 8.71,687 9.638,688 10.573,689 11.507,690 12.446,691 4,700 1,701 1,708 2,709 9,710 1,714 4,716 17,735 1,738 50,739 19,740 2,741 32,743 54,744 24,745 15,746 6,747 6,748 3,752 5,753 11,759 1,763 3,764 1,766 3,768 18,769 6,770 1,772 2,781 1,782 3,786 1,789 22,790 4,791 1,792 4,797 2,803 0.4,804 2,816 1,823 5,827 3,834 1,845 1,846 1,853 1,855 2,859 1,862 28,868 1,869 4,872 1,874 1,886 4,888 1,891 1,893 13.333,894 9.35,895 6.139,896 3.343,898 4.279,899 1.512,900 1.012,901 4.311,902 12.63,903 3.773,904 4.419,905 5.08,906 5.743,907 6.404,908 6.821,909 7.346,910 7.862,911 8.33,912 8.597,913 1,914 52,915 10.386,917 4.543,918 7.565,919 20.272,921 17.439,924 2.065,925 57.833,927 1,928 1,929 247.193,930 130.909,931 33.571,933 53.683,936 130.909,937 300.876,938 33.571,939 8.825,940 12.196,941 75.81,942 73.997,943 59.107,945 235.422,947 247.193,948 164.48,949 53.683,952 188.338,953 112.539,956 48.998,957 98.697,958 16.786,960 247.193,961 87.254,962 130.909,965 247.193,966 37.227,967 93.683,969 87.254,970 247.193,971 87.254,972 130.909,973 0.578,974 0.353,975 0.213,976 0.128,977 25,978 10,979 0.056,980 3,981 3,982 1.25,983 3.828,984 273.634,985 0.25,986 24,987 130.606,993 17.304,994 6.977,995 2.898,996 2.041,997 87.254,998 18.193,999 4.532,1003 4.101,1005 42.683,1006 465.357,1007 42.5,1016 4.937,1017 2.452,1020 49.694,1021 55.567,1022 0.248,1023 0.647,1024 0.841,1025 0.926,1026 0.926,1027 0.926,1028 5.026,1029 1.486,1030 5.938,1031 4.873,1032 4.533,1033 5.106,1034 2.124,1035 6.821,1036 4.479,1037 6.247,1038 1.405,1039 7.53,1040 3.917,1041 4.111,1042 4.924,1043 1.06,1044 7.867,1045 4.04,1046 7.577,1047 1.147,1048 9.229,1049 3.051,1050 6.176,1051 7.367,1052 2.142,1053 11.061,1054 6.087,1055 8.946,1056 1,1057 10.995,1058 2.642,1059 6.621,1060 8.035,1061 1.679,1062 12.992,1063 6.524,1064 10.35,1065 0.985,1066 12.804,1067 2.275,1068 8.137,1069 9.931,1070 2.358,1071 15.719,1072 8.027,1073 11.779,1074 0.718,1075 14.644,1076 1.883,1077 8.994,1078 11.011,1079 2.248,1080 18.014,1081 8.879,1082 13.228,1083 0.033,1084 16.507,1085 1.679,1086 10.297,1087 12.675,1088 2.735,1089 20.599,1090 10.174,1091 3.406,1092 -0.133,1093 18.388,1094 0.078,1095 11.347,1096 13.966,1097 2.825,1098 23.04,1099 11.219,1100 2.922,1101 12.745,1102 20.284,1103 -0.302,1104 12.576,1105 15.53,1106 3.219,1107 25.585,1108 12.441,1109 2.65,1110 10.208,1111 22.191,1112 4.56,1113 13.714,1114 16.927,1115 3.415,1116 28.084,1117 13.572,1118 2.362,1119 8.216,1120 24.107,1121 3.936,1122 14.922,1123 18.451,1124 3.765,1125 30.621,1126 14.773,1127 2.296,1128 7.515,1129 26.032,1130 3.604,1131 16.099,1132 19.902,1133 4.015,1134 33.143,1135 15.944,1136 1.895,1137 6.879,1138 27.964,1139 3.204,1140 17.305,1141 21.412,1142 4.344,1143 35.68,1144 17.142,1145 1.725,1146 5.68,1147 29.901,1148 2.903,1149 18.503,1150 22.891,1151 4.622,1152 38.213,1153 18.331,1154 8205,1155 12600,1156 22.076,1157 34.534,1158 48.588,1159 48.585,1160 50.122,1161 48.095,1162 48.058,1163 63.529,1164 7.941,1165 143.286,1166 46.639,1167 5.683,1168 5.79,1169 6.971,1170 5.438,1171 5.406,1172 7.56,1173 2.346,1174 20.385,1175 5.37,1176 9.733,1177 1.518,1178 1.518,1179 1.566,1180 1.503,1181 1.502,1182 1.985,1183 0.248,1184 4.478,1185 1.457,1186 4.146,1187 4.169,1188 4.112,1189 4.086,1190 6.466,1191 4.089,1192 3.902,1193 3.928,1194 3.849,1195 3.831,1196 5.02,1197 3.831,1198 3.811,1199 3.846,1200 3.739,1201 3.713,1202 4.842,1203 3.713,1204 3.487,1205 3.549,1206 3.372,1207 3.36,1208 4.657,1209 3.356,1210 3.443,1211 3.499,1212 3.289,1213 3.27,1214 4.343,1215 3.262,1216 3.225,1217 3.276,1218 3.087,1219 3.117,1220 4.184,1221 3.102,1222 3.095,1223 3.152,1224 2.985,1225 2.914,1226 3.93,1227 2.922,1228 2.889,1229 2.939,1230 2.776,1231 2.736,1232 3.823,1233 2.738,1234 0.148,1235 0.118,1236 0.225,1237 0.137,1238 0.106,1239 4.736,1240 0.143,1241 3.79,1242 0.043,1243 7.201,1244 0.398,1245 4.395,1246 0.105,1247 3.406,1248 4.56,1249 1.36,1250 12.745,1251 3.37,1252 2.101,1253 2.081,1254 2.167,1255 2.176,1256 1.425,1257 2.174,1258 1.888,1259 1.864,1260 1.995,1261 1.985,1262 1.234,1263 1.989,1264 1.799,1265 1.765,1266 1.958,1267 1.928,1268 1.086,1269 1.938,1270 1.473,1271 1.418,1272 1.786,1273 1.697,1274 0.933,1275 1.729,1276 1.443,1277 1.381,1278 1.624,1279 1.588,1280 0.736,1281 1.603,1282 1.236,1283 1.188,1284 1.434,1285 1.386,1286 0.623,1287 1.403,1288 1.059,1289 1,1290 1.334,1291 1.285,1292 0.555,1293 1.3,1294 0.886,1295 0.821,1296 1.181,1297 1.069,1298 0.218,1299 1.107,1300 4.174,1302 5.517,1304 7.089,1306 8.773,1308 10.518,1310 1.984,1314 10.831,1315 3.191,1318 5.621,1320 -0.05,1326 32.74,1327 70.046,1328 182.644,1329 237.438,1330 261.438,1331 261.438,1332 261.438,1333 40.662,1334 8.351,1335 54.71,1336 54.71,1337 30,1338 12.943,1339 4.322,1340 3.524,1341 37.244,1342 85,1343 130,1344 0.208,1345 196.327,1346 342.44,1347 470.797,1348 50123,1350 19.087,1351 0.682,1352 0.566,1353 19.087,1354 15.852,1355 13.758,1356 0.43,1357 0.308,1358 9.783,1359 13.408,1360 9.562,1361 7.864,1362 13.758,1363 9.863,1364 12.251,1365 0.266,1366 0.158,1367 12.251,1368 7.276,1369 10.978,1370 0.164,1371 0.084,1372 10.978,1373 5.61,1374 10.011,1375 0.102,1376 0.045,1377 10.011,1378 4.419,1379 8.987,1380 0.064,1381 0.024,1382 8.987,1383 3.409,1384 0.31,1385 84.898,1386 0.213,1387 25.796,1388 0.625,1389 156,1390 389.175,1391 165.421,1392 381.885,1393 542.91,1394 362,1395 191,1396 415.767,1397 200.147,1398 421.541,1399 627.61,1400 402,1401 4.85}
{0 CHEMBL1572480,1 1.577,2 8.68,3 4.34,4 18.831,5 99.266,6 8.736,7 0.786,8 3.812,9 3.883,10 3.681,11 3.515,12 4.962,13 3.468,14 4.294,15 4.382,16 3.976,17 3.906,18 5.696,19 3.85,20 4.574,21 4.715,22 4.113,23 4.057,24 5.796,25 3.975,26 4.635,27 4.779,28 4.162,29 4.021,30 5.912,31 3.934,32 4.653,33 4.805,34 4.074,35 3.916,36 6.169,37 3.849,38 4.533,39 4.702,40 3.741,41 3.733,42 5.926,43 3.682,44 4.291,45 4.452,46 3.524,47 3.642,48 5.567,49 3.587,50 4.198,51 4.362,52 3.407,53 3.637,54 5.341,55 3.546,56 0.099,57 0.509,58 8.604,59 3.876,60 17.905,61 3.906,62 0.237,63 0.802,64 11.746,65 6.194,66 42.084,67 6.885,68 0.212,69 1.096,70 19.32,71 8.978,72 38.583,73 9.876,74 0.26,75 1.211,76 23.575,77 9.772,78 48.696,79 9.645,80 0.516,81 1.23,82 28.579,83 10.444,84 96.916,85 9.87,86 0.464,87 1.043,88 24.678,89 8.815,90 88.843,91 8.15,92 0.295,93 0.772,94 15.364,95 6.445,96 59.76,97 6.846,98 0.136,99 0.699,100 11.367,101 5.809,102 27.006,103 7.148,104 10,105 41,106 0.272,107 0.459,108 0.575,109 0.736,110 0.844,111 0.899,112 3.268,113 0.992,114 -4.71,115 -4.63,116 -4.35,120 50,143 13,144 4,145 3,174 17,176 1,180 2,182 2,185 20,189 4,193 1,194 7,197 16,201 8,206 8,209 8,214 12,217 2,219 6,222 5,227 8,232 4,235 9,240 2,245 3,247 18,257 3,260 21,269 1,271 15,274 821,275 16.869,276 16.869,277 16.869,278 16.869,279 16.869,280 13.98,281 6.426,282 9.835,283 17.056,284 13.83,285 13.83,286 13.83,287 13.83,288 13.83,289 9.525,290 3.683,291 4.635,292 14.181,293 3.745,294 2.655,295 1.981,296 1.047,297 0.419,298 0.1,299 3.965,306 1,307 1,308 479,309 3.24,313 227.402,317 194.619,320 1.184,321 32.488,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.5,333 217,334 4.929,335 4.707,336 7.439,337 4.406,338 3.475,339 4.848,341 13.097,342 3.224,343 4.547,344 3.201,345 6.668,346 4.074,347 3.091,348 4.487,350 10.703,351 3.033,352 4.276,353 2.803,354 6.219,355 3.741,356 2.75,357 4.127,359 9.169,360 2.709,361 3.714,362 2.459,363 5.606,364 3.265,365 2.297,366 3.196,368 7.156,369 2.215,370 3.241,371 1.912,372 4.947,373 2.762,374 1.778,375 2.577,377 5.212,378 1.747,379 3.189,380 1.679,381 4.645,382 2.668,383 1.669,384 2.514,386 4.722,387 1.666,388 3.118,389 1.618,390 4.158,391 2.618,392 1.618,393 2.427,395 3.679,396 1.618,397 2.897,398 1.452,399 3.731,400 2.407,401 1.414,402 2.087,404 3.038,405 1.402,406 2.761,407 1.269,408 3.614,409 2.261,410 1.261,411 1.891,413 2.802,414 1.261,415 2.359,416 1.074,417 3.572,418 1.904,419 0.92,420 1.296,422 2.33,423 0.903,424 2.237,425 0.837,426 3.351,427 1.729,428 0.736,429 1.095,431 1.769,432 0.729,433 1.618,434 0.576,435 3.071,436 1.261,437 0.322,438 0.399,440 0.784,441 0.3,442 1.044,443 0.144,444 2.729,445 0.59,446 -0.381,447 -0.512,449 -0.942,450 -0.366,451 1.037,452 -0.277,453 2.555,454 0.533,455 -0.446,456 -0.649,458 -1.129,459 -0.431,460 1,461 -0.618,462 2.333,463 0.382,464 -0.618,465 -0.927,467 -1.478,468 -0.618,469 12.233,470 0.489,471 0.698,472 0.028,473 39,474 1.56,475 24,476 0.96,477 15,478 0.6,479 15.449,480 0.618,481 24.967,482 0.624,483 29.473,484 1.179,485 7.635,486 0.305,487 4.425,488 0.177,489 0.082,490 0.068,491 0.286,496 0.579,497 0.955,498 0.796,499 1.018,500 0.754,501 0.769,502 0.481,503 1.02,504 0.854,505 0.974,506 0.542,507 0.947,508 0.845,509 1.08,510 0.933,511 0.998,512 0.852,513 0.959,514 1.237,515 1.26,516 1.201,517 1.22,518 1.203,519 1.073,520 1.451,521 1.166,522 1.42,523 1.266,524 1.373,525 1.003,526 2.026,527 0.841,528 1.301,529 0.936,530 2.057,531 0.873,532 1.501,533 0.707,534 0.908,535 0.718,536 1.534,537 0.849,538 0.755,539 0.933,540 0.774,541 0.892,542 0.692,543 1.111,544 5,545 0.016,546 3.778,547 2.313,548 2.04,549 0.986,550 0.61,551 0.304,552 0.156,553 0.069,554 6636,555 18624,556 2.12,557 37.5,559 13,562 2,567 1.686,568 1.987,569 3.094,570 0.233,572 1,575 63.08,576 1.577,577 2.667,578 3.341,579 4.275,580 4.903,581 5.222,582 2.437,583 4.484,584 4.622,585 3.215,586 964.583,587 8.019,588 11211,590 1,592 1,593 212.877,594 1.535,595 4.57,596 0.179,597 0.003,598 0.092,599 0.053,600 0.05,601 0.025,602 0.02,603 0.011,604 0.006,605 0.004,606 0.442,607 0.33,608 1,609 0.553,610 117.54,611 0.062,612 0.043,613 0.197,614 0.001,615 -0.188,616 0.084,617 0.278,618 -0.048,619 -0.026,620 -0.063,621 0.209,622 -0.101,623 0.012,624 -0.092,625 0.05,626 -0.01,627 -0.015,628 -0.023,629 -0.1,630 -0.2,631 -0.015,632 -0.139,633 -0.092,634 -0.138,635 0.051,636 -0.091,637 -0.106,638 -0.125,639 0.176,640 -0.048,641 -0.36,642 0.172,643 -0.198,644 0.082,645 -0.252,646 0.079,647 -0.267,648 0.206,649 -0.128,650 0.145,651 -0.231,652 0.088,653 -0.077,654 -0.069,655 -0.141,656 -0.091,657 -0.069,658 -0.158,659 4.781,660 5.989,661 0.8,662 16.086,663 1.009,664 1.099,665 3.482,666 12.121,667 0.734,668 3.367,669 3.738,670 4.043,671 4.344,672 4.615,673 4.595,674 4.7,675 4.787,676 4.86,677 4.771,678 5.268,679 0.701,680 349.43,681 3.367,682 4.934,683 5.808,684 6.718,685 7.611,686 8.523,687 9.423,688 10.336,689 11.239,690 12.151,691 2.5,696 1,708 4,709 13,714 3,716 22,734 1,738 40,739 24,740 4,741 28,743 43,744 20,745 20,746 7,747 13,752 4,753 6,768 20,772 2,776 1,778 2,786 1,789 15,790 4,791 2,792 5,793 1,797 1,803 0.5,804 3,823 4,827 2,855 2,857 1,862 25,866 1,868 1,871 1,886 7.5,888 1,889 2,893 12.583,894 7.033,895 5.347,896 2.231,898 4.539,899 1.608,900 1.039,901 3.775,902 12.009,903 3.738,904 4.466,905 5.106,906 5.771,907 6.396,908 6.659,909 7.072,910 7.451,911 7.819,912 7.82,913 0.833,914 44,915 9.545,917 4.506,918 7.943,919 17.456,921 14.947,924 2.443,925 61.083,928 1,929 153.024,930 143.598,931 16.405,933 86.996,935 5.807,936 137.791,937 240.021,938 16.405,941 128.999,942 103.401,943 14.599,945 153.024,947 153.024,948 154.196,949 86.996,950 5.807,952 153.024,953 86.996,957 137.791,958 22.212,960 153.024,961 103.401,962 143.598,964 5.807,965 153.024,966 14.599,967 123.191,968 16.405,969 86.996,970 153.024,971 103.401,972 143.598,973 0.592,974 0.355,975 0.201,976 0.116,977 22,978 9,979 0.07,980 3,981 2,982 1.2,983 3.58,984 222.18,985 0.2,986 20,987 112.096,992 1,993 15.793,994 5.976,995 2.788,996 2.965,997 103.401,998 22.983,1003 0.256,1005 59.088,1006 400.024,1007 41,1011 -3.864,1013 25.979,1020 40.345,1021 43.953,1022 0.296,1023 0.501,1024 0.628,1025 0.803,1026 0.921,1027 0.981,1028 4.973,1029 1.414,1030 5.838,1031 3.679,1032 4.419,1033 5.153,1035 6.739,1036 4.364,1037 6.25,1038 1.261,1039 7.458,1040 3.038,1041 4.205,1042 5.27,1044 8.009,1045 4.06,1046 7.625,1047 0.92,1048 9.196,1049 2.802,1050 6.138,1051 7.595,1053 11.103,1054 5.997,1055 9.046,1056 0.736,1057 11.007,1058 2.33,1059 6.758,1060 8.531,1062 13.186,1063 6.507,1064 10.503,1065 0.322,1066 12.865,1067 1.769,1068 8.211,1069 10.366,1071 15.882,1072 7.953,1073 11.986,1074 -0.381,1075 14.755,1076 0.784,1077 9.185,1078 11.651,1080 18.254,1081 8.821,1082 13.489,1083 -0.446,1084 16.666,1085 -0.942,1086 10.472,1087 13.305,1089 20.841,1090 10.077,1091 3.475,1092 -0.618,1093 18.593,1094 -1.129,1095 11.591,1096 14.74,1098 23.324,1099 11.102,1100 3.091,1101 13.097,1102 20.533,1103 -1.478,1104 12.826,1105 16.326,1107 25.885,1108 12.286,1109 2.75,1110 10.703,1111 22.483,1112 4.848,1113 14.004,1114 17.826,1116 28.412,1117 13.378,1118 2.297,1119 9.169,1120 24.44,1121 4.487,1122 15.226,1123 19.388,1125 30.97,1126 14.536,1127 1.778,1128 7.156,1129 26.404,1130 4.127,1131 16.431,1132 20.916,1134 33.518,1135 15.658,1136 1.669,1137 5.212,1138 28.374,1139 3.196,1140 17.653,1141 22.472,1143 36.079,1144 16.808,1145 1.618,1146 4.722,1147 30.348,1148 2.577,1149 18.871,1150 24.015,1152 38.637,1153 17.945,1154 6264,1155 10651,1156 18.781,1157 29.347,1158 42.632,1159 43.565,1160 43.758,1161 42.706,1162 42.664,1163 61.888,1165 128.922,1166 41.614,1167 5.769,1168 6.707,1169 7.128,1170 5.467,1171 5.475,1172 7.848,1174 21.099,1175 5.224,1176 10.095,1177 1.523,1178 1.556,1179 1.563,1180 1.525,1181 1.524,1182 2.21,1184 4.604,1185 1.486,1186 4.183,1187 4.179,1188 4.743,1189 4.167,1190 7.717,1191 4.12,1192 4.054,1193 4.07,1194 4.023,1195 4.018,1196 6.999,1197 4.013,1198 3.768,1199 3.737,1200 3.938,1201 3.728,1202 6.469,1203 3.631,1204 3.472,1205 3.504,1206 3.393,1207 3.378,1208 4.885,1209 3.374,1210 3.396,1211 3.428,1212 3.313,1213 3.312,1214 4.84,1215 3.286,1216 3.053,1217 3.095,1218 2.963,1219 2.957,1220 4.318,1221 2.95,1222 2.924,1223 2.967,1224 2.833,1225 2.821,1226 4.216,1227 2.799,1228 2.747,1229 2.78,1230 2.64,1231 2.586,1232 3.944,1233 2.589,1234 0.176,1235 0.168,1236 0.266,1237 0.157,1238 0.124,1239 4.929,1240 0.173,1241 4.707,1243 7.439,1244 0.468,1245 4.406,1246 0.115,1247 3.475,1248 4.848,1250 13.097,1251 3.224,1252 2.11,1253 2.107,1254 2.149,1255 2.16,1256 1.34,1257 2.181,1258 2.055,1259 2.039,1260 2.132,1261 2.108,1262 1.275,1263 2.118,1264 1.613,1265 1.638,1266 1.662,1267 1.728,1268 0.804,1269 1.773,1270 1.466,1271 1.433,1272 1.631,1273 1.592,1274 0.671,1275 1.607,1276 1.359,1277 1.344,1278 1.322,1279 1.498,1280 0.562,1281 1.53,1282 1.05,1283 1.01,1284 1.239,1285 1.192,1286 0.338,1287 1.212,1288 0.905,1289 0.871,1290 1.034,1291 1.079,1292 0.184,1293 1.109,1294 0.695,1295 0.66,1296 0.948,1297 0.95,1298 0.059,1299 0.937,1300 4.043,1302 5.398,1304 6.971,1306 8.641,1308 10.361,1314 10.205,1317 2.56,1326 28.041,1327 63.08,1328 106.666,1329 133.652,1330 171.003,1331 196.122,1332 208.877,1333 48.897,1334 7.47,1335 66.4,1336 74.78,1337 24,1338 12.666,1339 4.644,1340 3.807,1341 35.69,1342 79,1343 69,1344 0.224,1345 173.684,1346 291,1347 415.548,1348 18024,1350 17.441,1351 0.698,1352 0.56,1353 17.691,1354 13.994,1355 12.06,1356 0.431,1357 0.331,1358 7.846,1359 11.076,1360 7.555,1361 6.261,1362 12.882,1363 9.258,1364 11.365,1365 0.277,1366 0.181,1367 12.647,1368 7.414,1369 9.582,1370 0.171,1371 0.1,1372 10.644,1373 5.59,1374 8.292,1375 0.109,1376 0.057,1377 9.493,1378 4.313,1379 7.258,1380 0.073,1381 0.032,1382 8.523,1383 3.187,1384 0.338,1385 82.532,1386 0.231,1387 23.618,1388 0.654,1389 138,1390 394.814,1391 183.012,1392 411.5,1393 563.79,1394 378,1395 166,1396 393.134,1397 221.114,1398 439.252,1399 643.79,1400 413,1401 4.805}
{0 CHEMBL1572955,1 1.52,2 13.1,3 5.064,4 25.639,5 118.894,6 7.833,7 0.667,8 4.036,9 4.137,10 3.654,11 3.609,12 5.218,13 3.598,14 4.52,15 4.665,16 3.97,17 3.957,18 5.639,19 3.938,20 4.684,21 4.844,22 4.024,23 4.066,24 5.817,25 4.024,26 4.786,27 4.976,28 3.909,29 4.047,30 5.875,31 3.975,32 4.748,33 4.972,34 3.824,35 3.989,36 5.772,37 3.895,38 4.713,39 4.947,40 3.873,41 3.933,42 5.784,43 3.869,44 4.562,45 4.732,46 3.838,47 3.927,48 5.696,49 3.875,50 4.649,51 4.843,52 3.697,53 3.91,54 5.763,55 3.812,56 0.065,57 0.704,58 9.18,59 4.647,60 8.493,61 5.587,62 0.217,63 1.097,64 17.437,65 7.312,66 20.703,67 8.798,68 0.181,69 1.288,70 20.735,71 8.731,72 28.737,73 10.847,74 0.386,75 1.405,76 24.935,77 9.361,78 44.431,79 11.74,80 0.266,81 1.34,82 24.99,83 9.783,84 39.629,85 13.191,86 0.429,87 1.268,88 25.465,89 9.243,90 48.376,91 12.456,92 0.203,93 1.124,94 18.855,95 7.755,96 28.61,97 9.623,98 0.436,99 1.177,100 22.198,101 8.727,102 54.101,103 11.04,104 14,105 45,106 0.251,107 0.547,108 0.699,109 0.822,110 0.853,111 0.872,112 3.44,113 0.863,114 -4.83,115 -4.74,116 -4.45,120 47.1,125 2,126 1,136 2,143 11,144 3,145 2,147 1,153 1,158 1,167 2,174 13,176 1,177 9,185 14,189 15,197 12,200 1,201 13,209 8,213 1,214 8,222 9,226 2,227 10,235 13,240 6,247 15,251 2,252 5,260 11,263 1,264 7,271 4,274 1542,275 20.756,276 20.756,277 20.756,278 20.756,279 20.756,280 17.954,281 16.814,282 12.211,283 21.174,284 16.152,285 16.152,286 16.152,287 16.152,288 16.152,289 11.775,290 21.552,291 5.619,292 16.627,293 4.153,294 2.356,295 1.433,296 0.687,297 0.5,298 0.383,299 4.139,306 1,307 1,308 855,309 3.464,312 68.028,313 297.913,316 128.047,320 1.907,321 23.105,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 64.5,333 393,334 4.537,335 3.489,336 6.544,337 4.057,338 3.094,339 4.478,340 0.86,341 10.348,342 2.979,343 4.273,344 3.243,345 6.167,346 3.865,347 2.877,348 3.93,349 0.86,350 9.158,351 2.874,352 4.193,353 3.01,354 6.03,355 3.813,356 2.812,357 3.78,358 0.522,359 8.591,360 2.786,361 3.764,362 2.82,363 5.294,364 3.356,365 2.394,366 3.149,368 6.763,369 2.298,370 3.586,371 2.359,372 5.245,373 3.216,374 2.236,375 2.921,377 6.612,378 2.181,379 3.384,380 2.221,381 5.124,382 2.951,383 1.995,384 2.73,386 5.984,387 1.902,388 3.046,389 1.985,390 4.384,391 2.529,392 1.546,393 2.318,395 4.13,396 1.517,397 2.952,398 1.725,399 4.174,400 2.472,401 1.498,402 2.049,404 3.77,405 1.456,406 2.878,407 1.545,408 4.115,409 2.457,410 1.454,411 2.02,413 3.634,414 1.444,415 2.616,416 1.174,417 3.581,418 2.131,419 1.137,420 1.671,422 2.727,423 1.13,424 2.5,425 1.126,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.322,434 1.066,435 3.195,436 1.719,437 0.77,438 1.021,440 1.588,441 0.72,442 2.094,443 1,444 3.147,445 1.61,446 0.631,447 0.905,449 1.439,450 0.615,451 1.778,452 0.842,453 2.934,454 1.411,455 0.521,456 0.611,458 0.872,459 0.457,460 1.639,461 0.678,462 2.712,463 1.281,464 0.331,465 0.443,467 0.572,468 0.312,469 14.2,470 0.473,471 0.585,472 0.019,473 42.5,474 1.417,475 24,476 0.8,477 18.5,478 0.617,479 20.819,480 0.694,481 30.8,482 0.604,483 33.097,484 1.103,485 8.972,486 0.299,487 5.701,488 0.19,489 0.094,491 0.31,496 0.676,497 1.034,498 0.712,499 1.026,500 0.593,501 0.907,502 1.171,503 0.995,504 0.864,505 0.872,506 0.774,507 0.83,508 1.041,509 1.204,510 0.983,511 1.108,512 0.927,513 1.048,514 1.256,515 1.119,516 1.223,517 1.081,518 1.345,519 1.132,520 0.742,521 1.062,522 0.955,523 1.062,524 0.987,525 1.044,526 0.828,527 0.78,528 0.745,529 0.738,530 0.883,531 0.723,532 1.109,533 1.034,534 1.051,535 1.042,536 1.109,537 1.032,538 1.078,539 0.977,540 1.227,541 1.078,542 1.544,543 1.163,544 5.5,545 0.16,546 3.556,547 1.604,548 1.253,549 0.99,550 0.559,551 0.365,552 0.298,553 0.194,554 12882,555 35536,556 2.107,557 41.2,559 21,567 1.727,568 2,569 3.651,570 -0.792,575 77.506,576 1.52,577 3.316,578 4.24,579 4.986,580 5.172,581 5.29,582 3.111,583 4.457,584 4.878,585 3.811,586 1657.64,587 8.499,588 23764.5,590 1,593 289.294,594 1.295,595 4.851,596 0.167,597 0.006,598 0.079,599 0.035,600 0.032,601 0.027,602 0.014,603 0.01,604 0.01,605 0.007,606 0.387,607 0.17,608 1,609 0.756,610 156.233,611 0.091,612 0.041,613 0.07,614 -0.049,615 -0.015,616 -0.01,617 -0.118,618 0.044,619 0.028,620 0.095,621 -0.043,622 0.084,623 -0.102,624 -0.179,625 -0.085,626 -0.139,627 -0.01,628 -0.115,629 -0.172,630 -0.094,631 -0.261,632 -0.13,633 -0.193,634 -0.197,635 0.037,636 -0.084,637 0.021,638 -0.077,639 -0.002,640 -0.037,641 0.142,642 0.193,643 0.281,644 0.244,645 0.182,646 0.284,647 -0.146,648 -0.017,649 -0.136,650 -0.069,651 -0.098,652 -0.09,653 -0.021,654 -0.009,655 -0.256,656 -0.094,657 -0.176,658 -0.193,659 1.739,660 5.454,661 0.7,662 31.133,663 1.005,664 1.115,665 3.602,666 12.972,667 0.691,668 3.526,669 3.829,670 4.111,671 4.331,672 4.533,673 4.595,674 4.682,675 4.745,676 4.812,677 4.89,678 7.48,679 0.666,680 399.48,681 3.526,682 5.056,683 5.905,684 6.77,685 7.633,686 8.502,687 9.371,688 10.243,689 11.113,690 11.988,691 5.9,699 1,701 2,708 2,709 11,710 2,714 5,715 1,716 22,721 1,735 2,738 51,739 24,740 3,741 33,743 54,744 24,745 18,746 7,747 11,748 3,752 4,753 5,768 21,769 3,772 2,778 1,780 2,782 1,789 21,790 5,792 6,797 3,803 0.75,804 3,822 1,823 3,826 1,845 2,855 3,859 2,862 30,869 1,872 2,883 1,886 5.9,889 1,891 2,893 15,894 9.933,895 6.778,896 2.829,898 4.686,899 1.608,900 0.99,901 5.917,902 12.394,903 3.85,904 4.469,905 5.104,906 5.671,907 6.193,908 6.46,909 6.848,910 7.204,911 7.469,912 7.864,913 0.889,914 46,915 11.022,917 4.593,918 7.728,919 20.929,921 16.696,924 2.228,925 66.833,928 1,929 247.193,930 176.528,931 34.98,933 47.145,936 176.528,937 294.338,938 34.98,939 21.766,940 2.106,941 123.191,942 63.482,943 45.964,944 2.144,945 247.193,947 247.193,948 211.508,949 47.145,952 247.193,953 47.145,956 6.026,957 153.326,958 52.156,960 247.193,961 82.125,962 176.528,965 247.193,966 31.571,967 146.734,969 80.348,970 247.193,971 82.125,972 176.528,973 0.573,974 0.346,975 0.181,976 0.096,977 21,978 9,979 0.13,980 7,981 1,982 1.095,983 4.241,984 260.623,985 0.095,986 21,987 143.207,993 19.869,994 8.934,995 4.447,996 1.799,997 80.348,998 20.667,999 8.455,1003 3.934,1004 1.836,1006 505.846,1007 46,1013 12.454,1015 3.368,1017 -0.072,1020 51.24,1021 56.86,1022 0.268,1023 0.585,1024 0.747,1025 0.879,1026 0.912,1027 0.933,1028 5.059,1029 1.498,1030 5.872,1031 4.13,1032 4.511,1033 5.156,1034 1.505,1035 6.658,1036 4.463,1037 6.271,1038 1.454,1039 7.416,1040 3.77,1041 4.007,1042 4.902,1044 7.516,1045 3.941,1046 7.576,1047 1.137,1048 9.058,1049 3.634,1050 6.084,1051 7.401,1052 1.205,1053 10.581,1054 5.997,1055 8.92,1056 1,1057 10.759,1058 2.727,1059 6.431,1060 8.016,1062 12.272,1063 6.317,1064 10.295,1065 0.77,1066 12.496,1067 2.275,1068 7.932,1069 9.935,1070 0.978,1071 14.835,1072 7.806,1073 11.694,1074 0.631,1075 14.26,1076 1.588,1077 8.67,1078 10.97,1080 16.869,1081 8.513,1082 13.11,1083 0.521,1084 16.041,1085 1.439,1086 9.934,1087 12.64,1088 0.792,1089 19.262,1090 9.765,1091 3.094,1092 0.331,1093 17.836,1094 0.872,1095 10.859,1096 13.891,1098 21.447,1099 10.659,1100 2.877,1101 10.348,1102 19.642,1103 0.572,1104 12.023,1105 15.45,1106 0.636,1107 23.781,1108 11.806,1109 2.812,1110 9.158,1111 21.457,1112 4.478,1113 13.039,1114 16.812,1116 26.034,1117 12.79,1118 2.394,1119 8.591,1120 23.278,1121 3.93,1122 14.161,1123 18.322,1124 0.504,1125 28.351,1126 13.892,1127 2.236,1128 6.763,1129 25.105,1130 3.78,1131 15.221,1132 19.742,1134 30.636,1135 14.919,1136 1.995,1137 6.612,1138 26.937,1139 3.149,1140 16.329,1141 21.233,1142 0.395,1143 32.95,1144 16.002,1145 1.546,1146 5.984,1147 28.773,1148 2.921,1149 17.41,1150 22.684,1152 35.253,1153 17.051,1154 12200,1155 20398,1156 22.364,1157 35.233,1158 49.304,1159 50.303,1160 50.335,1161 48.554,1162 48.589,1163 67.054,1164 4.483,1165 136.927,1166 47.341,1167 5.329,1168 5.489,1169 6.226,1170 5.084,1171 5.094,1172 7.478,1173 1.72,1174 17.137,1175 4.979,1176 12.819,1177 1.494,1178 1.524,1179 1.525,1180 1.471,1181 1.472,1182 2.032,1183 0.136,1184 4.149,1185 1.435,1186 4.11,1187 4.157,1188 4.077,1189 3.985,1190 7.428,1191 3.998,1192 3.961,1193 3.98,1194 3.914,1195 3.886,1196 5.158,1197 3.89,1198 3.885,1199 3.904,1200 3.834,1201 3.821,1202 4.866,1203 3.821,1204 3.516,1205 3.543,1206 3.446,1207 3.385,1208 4.834,1209 3.394,1210 3.38,1211 3.443,1212 3.291,1213 3.172,1214 4.448,1215 3.193,1216 3.263,1217 3.319,1218 3.115,1219 3,1220 4.429,1221 3.019,1222 3.172,1223 3.248,1224 2.967,1225 2.906,1226 4.336,1227 2.905,1228 3.024,1229 3.092,1230 2.908,1231 2.863,1232 4.022,1233 2.865,1234 0.137,1235 0.106,1236 0.198,1237 0.123,1238 0.094,1239 4.537,1240 0.136,1241 3.489,1242 0.026,1243 6.544,1244 0.314,1245 4.057,1246 0.09,1247 3.094,1248 4.478,1249 0.86,1250 10.348,1251 2.979,1252 1.969,1253 1.948,1254 2.061,1255 2.067,1256 1.225,1257 2.065,1258 1.912,1259 1.89,1260 2.009,1261 2.005,1262 1.102,1263 2.006,1264 1.871,1265 1.85,1266 1.973,1267 1.957,1268 1.071,1269 1.963,1270 1.484,1271 1.453,1272 1.65,1273 1.687,1274 0.763,1275 1.667,1276 1.321,1277 1.254,1278 1.573,1279 1.607,1280 0.602,1281 1.585,1282 1.204,1283 1.139,1284 1.562,1285 1.513,1286 0.575,1287 1.53,1288 1.144,1289 1.061,1290 1.458,1291 1.417,1292 0.512,1293 1.439,1294 0.985,1295 0.923,1296 1.188,1297 1.206,1298 0.225,1299 1.201,1300 4.205,1302 5.509,1303 2.398,1304 7.013,1305 4.727,1306 8.601,1307 6.823,1308 10.232,1310 3.237,1315 0.512,1318 10.644,1326 33.95,1327 77.506,1328 169.134,1329 216.22,1330 254.274,1331 263.784,1332 269.784,1333 46.017,1334 7.708,1335 66.24,1336 66.24,1337 23,1338 12.528,1339 4.644,1340 3.807,1341 47.172,1342 135,1343 152,1344 0.168,1345 208.656,1346 358.41,1347 500.88,1348 25974,1350 20.924,1351 0.697,1352 0.559,1353 20.924,1354 16.779,1355 14.673,1356 0.445,1357 0.288,1358 9.344,1359 14.074,1360 9.068,1361 7.58,1362 14.673,1363 9.493,1364 12.633,1365 0.281,1366 0.15,1367 12.633,1368 6.733,1369 11.164,1370 0.186,1371 0.081,1372 11.164,1373 4.846,1374 8.951,1375 0.119,1376 0.043,1377 8.951,1378 3.245,1379 7.054,1380 0.077,1381 0.023,1382 7.054,1383 2.116,1384 0.268,1385 92.331,1386 0.211,1387 28.716,1388 0.445,1389 156,1390 480.142,1391 169.772,1392 461.576,1393 634.59,1394 434,1395 183,1396 470.539,1397 198.024,1398 478.611,1399 689.82,1400 447,1401 4.85}
{0 CHEMBL1573366,1 1.685,2 9.421,3 3.997,4 15.977,5 78.991,6 10.672,7 0.6,8 3.49,9 3.584,10 3.362,11 3.17,12 4.746,13 3.135,14 3.917,15 4.033,16 3.749,17 3.5,18 5.216,19 3.444,20 4.177,21 4.354,22 3.911,23 3.559,24 5.461,25 3.476,26 4.085,27 4.27,28 3.843,29 3.388,30 5.423,31 3.282,32 3.868,33 4.067,34 3.278,35 3.176,36 5.097,37 3.057,38 3.735,39 3.94,40 3.197,41 3.044,42 4.95,43 2.952,44 3.649,45 3.835,46 3.474,47 2.994,48 5.008,49 2.94,50 3.529,51 3.685,52 3.354,53 3.024,54 4.798,55 2.933,56 0.045,57 0.421,58 2.136,59 2.454,60 4.818,61 2.791,62 0.075,63 0.652,64 3.946,65 4.075,66 5.627,67 4.585,68 0.253,69 0.845,70 16.693,71 6.09,72 32.496,73 6.486,74 0.351,75 0.71,76 23.619,77 6.181,78 42.494,79 6.101,80 0.239,81 0.565,82 18.243,83 4.867,84 30.571,85 5.408,86 0.169,87 0.523,88 12.764,89 4.027,90 22.384,91 4.43,92 0.199,93 0.473,94 10.306,95 3.617,96 25.073,97 3.726,98 0.138,99 0.422,100 5.957,101 3.172,102 24.861,103 3.272,104 10,105 26,106 0.319,107 0.568,108 0.734,109 0.861,110 0.878,111 0.878,112 3.008,113 0.965,114 -5.41,115 -5.29,116 -4.94,118 1,120 50,136 1,138 1,143 8,144 1,145 3,158 1,174 7,177 2,182 2,185 9,189 2,194 3,197 7,201 2,204 1,206 1,209 4,214 1,219 2,222 4,227 1,232 2,235 1,240 3,245 1,247 5,260 8,271 7,274 409,275 12.69,276 12.69,277 12.69,278 12.69,279 12.69,280 10.836,281 10.794,282 7.716,283 12.919,284 9.855,285 9.855,286 9.855,287 9.855,288 9.855,289 7.159,290 13.174,291 3.662,292 10.294,293 3.222,294 1.907,295 1.025,296 0.358,297 0.267,298 0.267,299 3.666,305 1,306 1,307 1,308 372,309 2.828,313 137.987,320 1.346,321 21.157,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 40.75,333 179,334 4.235,335 3.487,336 6.059,337 3.814,338 2.857,339 3.882,340 0.4,341 8.704,342 2.844,343 4.157,344 3.212,345 6.016,346 3.764,347 2.778,348 3.696,350 8.533,351 2.587,352 3.487,353 2.707,354 4.961,355 3.06,356 2.136,357 2.804,359 5.824,360 1.962,361 3.352,362 2.182,363 4.329,364 2.857,365 1.85,366 2.652,368 4.307,369 1.851,370 2.914,371 2.034,372 4.169,373 2.41,374 1.522,375 2.03,377 3.779,378 1.301,379 2.774,380 1.366,381 3.547,382 2.242,383 1.262,384 1.84,386 2.82,387 1.177,388 2.5,389 1.323,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 2.41,398 1,399 3.247,400 1.874,401 0.873,402 1.214,404 1.979,405 0.863,406 1.604,407 0.684,408 2.637,409 1.127,410 0.203,411 0.272,413 0.454,414 0.167,415 0.86,416 0.229,417 2.359,418 0.471,419 -0.471,420 -0.593,422 -1.075,423 -0.286,424 0.787,425 0.104,426 2.139,427 0.28,428 -0.516,429 -0.622,431 -1.243,432 -0.444,433 0.743,434 -0.503,435 1.696,436 0.279,437 -0.755,438 -1.119,440 -1.614,441 -0.774,442 0.5,443 -0.823,444 1.555,446 -1,447 -1.427,449 -2.347,450 -1,451 0.167,452 -1,453 1.376,454 -0.208,455 -1.132,456 -1.5,458 -2.941,459 -1.043,460 0.014,461 -1.139,462 1.282,463 -0.458,464 -1.396,465 -1.86,467 -3.541,468 -1.14,469 9.852,470 0.519,471 0.421,472 0.022,473 26.5,474 1.395,475 15.5,476 0.816,477 11,478 0.579,479 12.229,480 0.644,481 18.948,482 0.632,483 16.345,484 0.86,485 5.421,486 0.285,487 3.743,488 0.197,489 0.198,491 0.254,494 1,496 0.558,497 0.851,498 0.476,499 0.694,500 0.534,501 0.749,502 0.668,503 1.072,504 0.612,505 0.911,506 0.611,507 0.986,508 1.041,509 1.05,510 0.945,511 0.995,512 1,513 0.997,514 1.055,515 0.961,516 1.281,517 1.17,518 1.15,519 1.11,520 0.786,521 0.693,522 1.057,523 1.032,524 0.923,525 1.067,526 1.008,527 0.911,528 0.822,529 0.904,530 0.975,531 0.952,532 1.052,533 0.816,534 0.735,535 0.8,536 1.111,537 0.745,538 1.157,539 0.818,540 0.879,541 0.752,542 1.241,543 0.852,544 3.5,545 0.062,546 2.222,547 1.125,548 0.644,549 0.299,550 0.284,551 0.196,552 0.119,553 0.081,554 3472,555 12688,556 1.995,557 36.7,559 9,560 1,562 1,567 1.596,568 1.869,569 3.222,570 -0.301,572 1,575 50.55,576 1.685,577 3,578 3.882,579 4.548,580 4.64,581 4.64,582 2.65,583 3.682,584 4.224,585 3.344,586 571.757,587 7.156,588 5882.43,590 1,591 1,592 1,593 147.207,594 1.384,595 4.178,596 0.175,597 0.009,598 0.085,599 0.045,600 0.034,601 0.02,602 0.02,603 0.013,604 0.009,605 0.007,606 0.417,607 0.5,608 1,609 0.644,610 84.439,611 -0.034,612 0.014,613 -0.002,614 0.028,615 -0.058,616 0.031,617 -0.027,618 -0.188,619 -0.004,620 -0.126,621 0.001,622 -0.16,623 -0.084,624 -0.078,625 -0.008,626 -0.051,627 -0.064,628 -0.052,629 0.01,630 -0.063,631 -0.039,632 -0.12,633 -0.066,634 -0.118,635 0.035,636 0.04,637 -0.09,638 -0.06,639 -0.051,640 -0.053,641 -0.104,642 -0.015,643 -0.032,644 0.014,645 -0.071,646 0.032,647 0.005,648 0.103,649 0.117,650 0.137,651 0.007,652 0.222,653 -0.175,654 0.12,655 0.023,656 0.193,657 -0.192,658 0.083,659 1.984,660 4.889,661 0.632,662 13.025,663 1.016,664 1.113,665 4.177,666 17.447,667 0.744,668 3.045,669 3.296,670 3.466,671 3.584,672 3.689,673 3.497,674 3.401,675 3.332,676 3.401,677 3.401,678 5.589,679 0.71,680 320.17,681 3.045,682 4.533,683 5.333,684 6.159,685 6.973,686 7.8,687 8.618,688 9.445,689 10.265,690 11.092,691 3.3,696 1,709 8,714 4,716 12,721 1,729 1,737 2,738 30,739 14,740 2,741 20,742 1,743 31,744 15,745 12,746 4,747 8,748 3,752 2,753 2,768 15,772 2,778 1,780 2,782 1,786 1,787 1,789 11,790 3,791 1,792 4,793 1,797 1,803 1,804 1,823 2,845 1,855 2,858 1,861 1,862 19,871 1,885 2,886 3.3,889 1,893 10.167,894 5.286,895 4.306,896 1.634,898 2.657,899 1.442,900 0.985,901 4.612,902 8.671,903 3.367,904 3.912,905 4.419,906 4.871,907 5.325,908 5.226,909 5.363,910 5.482,911 5.809,912 6.09,913 1,914 25,915 6.984,917 2.886,918 8.057,919 12.911,921 10.005,924 2.557,925 48.583,929 117.711,930 117.586,931 63.965,933 25.145,934 14.96,936 163.54,937 142.856,938 32.971,940 9.047,941 85.286,942 48.289,943 18.118,944 26.731,945 105.94,946 45.954,947 117.711,948 135.596,949 40.105,951 45.954,952 132.671,953 25.145,957 108.109,958 27.487,959 45.954,960 132.671,961 43.156,962 163.54,965 117.711,966 23.252,967 94.334,968 63.965,969 40.105,970 117.711,971 58.116,972 163.54,973 0.569,974 0.323,975 0.161,976 0.081,977 11,978 5,979 0.129,980 4,982 1,983 3.227,984 125.096,986 12,987 76.711,993 13.66,994 6.415,995 3.848,997 58.116,998 13.275,1003 1.6,1005 18.011,1006 339.366,1007 28,1013 11.775,1015 2.971,1017 -0.091,1020 30.473,1021 33.38,1022 0.343,1023 0.611,1024 0.791,1025 0.927,1026 0.946,1027 0.946,1028 4.543,1029 0.873,1030 5.283,1031 2.136,1032 3.97,1033 4.595,1034 0.278,1035 5.994,1036 3.888,1037 5.735,1038 0.203,1039 6.788,1040 1.979,1041 3.434,1042 4.205,1044 6.72,1045 3.243,1046 7.01,1047 -0.471,1048 8.394,1049 0.454,1050 5.468,1051 6.717,1052 0.05,1053 9.75,1054 5.33,1055 8.32,1056 -0.516,1057 10.06,1058 -1.075,1059 5.74,1060 7.12,1062 11.301,1063 5.511,1064 9.659,1065 -0.755,1066 11.765,1067 -1.243,1068 7.238,1069 9.091,1070 0.008,1071 13.817,1072 7.048,1073 11.019,1074 -1,1075 13.495,1076 -1.614,1077 7.897,1078 9.892,1080 15.701,1081 7.638,1082 12.396,1083 -1.132,1084 15.243,1085 -2.347,1086 9.153,1087 11.597,1088 0.001,1089 18.019,1090 8.915,1091 2.857,1092 -1.396,1093 17.003,1094 -2.941,1095 10.004,1096 12.619,1098 20.049,1099 9.716,1100 2.778,1101 8.704,1102 18.773,1103 -3.541,1104 11.147,1105 14.176,1107 22.28,1108 10.866,1109 2.136,1110 8.533,1111 20.55,1112 3.882,1113 12.092,1114 15.325,1116 24.375,1117 11.777,1118 1.85,1119 5.824,1120 22.332,1121 3.696,1122 13.181,1123 16.797,1125 26.568,1126 12.865,1127 1.522,1128 4.307,1129 24.117,1130 2.804,1131 14.173,1132 18.023,1134 28.694,1135 13.834,1136 1.262,1137 3.779,1138 25.905,1139 2.652,1140 15.236,1141 19.444,1143 30.867,1144 14.891,1145 1,1146 2.82,1147 27.696,1148 2.03,1149 16.252,1150 20.715,1152 33.008,1153 15.89,1154 3485,1155 6774,1156 13.118,1157 22.318,1158 29.665,1159 30.42,1160 29.624,1161 29.198,1162 28.96,1163 39.778,1164 0.8,1165 77.071,1166 27.504,1167 4.977,1168 5.487,1169 5.861,1170 4.816,1171 4.857,1172 6.882,1173 0.8,1174 14.939,1175 4.844,1176 9.1,1177 1.483,1178 1.521,1179 1.481,1180 1.46,1181 1.448,1182 1.989,1183 0.04,1184 3.854,1185 1.375,1186 3.955,1187 3.981,1188 6.88,1189 3.89,1190 8.201,1191 3.884,1192 3.888,1193 3.912,1194 3.879,1195 3.836,1196 7.428,1197 3.826,1198 3.527,1199 3.567,1200 3.77,1201 3.396,1202 4.743,1203 3.402,1204 3.084,1205 3.125,1206 3.446,1207 2.909,1208 4.69,1209 2.908,1210 2.871,1211 2.925,1212 3.02,1213 2.85,1214 4.281,1215 2.791,1216 2.854,1217 2.915,1218 2.697,1219 2.735,1220 3.767,1221 2.715,1222 2.793,1223 2.838,1224 2.687,1225 2.663,1226 3.674,1227 2.659,1228 2.463,1229 2.511,1230 2.507,1231 2.183,1232 3.609,1233 2.207,1234 0.212,1235 0.174,1236 0.303,1237 0.191,1238 0.143,1239 4.235,1240 0.194,1241 3.487,1242 0.02,1243 6.059,1244 0.435,1245 3.814,1246 0.142,1247 2.857,1248 3.882,1249 0.4,1250 8.704,1251 2.844,1252 1.918,1253 1.896,1254 2.028,1255 2.009,1256 1.089,1257 2.015,1258 1.87,1259 1.848,1260 1.933,1261 1.956,1262 1.055,1263 1.962,1264 1.494,1265 1.457,1266 1.652,1267 1.657,1268 0.653,1269 1.658,1270 0.99,1271 0.948,1272 1.181,1273 1.235,1274 0.218,1275 1.206,1276 0.886,1277 0.83,1278 1.167,1279 1.062,1280 0.212,1281 1.107,1282 0.873,1283 0.821,1284 1.091,1285 1.013,1286 0.182,1287 1.057,1288 0.756,1289 0.714,1290 0.938,1291 0.919,1292 0.041,1293 0.942,1294 0.345,1295 0.298,1296 0.63,1297 0.673,1299 0.661,1300 3.714,1302 4.977,1304 6.435,1306 7.977,1308 9.559,1309 3.238,1312 12.889,1317 2.926,1326 21.306,1327 50.55,1328 89.987,1329 116.452,1330 136.452,1331 139.207,1332 139.207,1333 35.344,1334 6.014,1335 29.1,1336 29.1,1337 12,1338 11.668,1339 3.907,1340 3.17,1341 33.946,1342 65,1343 52,1344 0.258,1345 140.352,1346 245.56,1347 334.219,1348 2810,1349 6.7,1350 13.665,1351 0.719,1352 0.607,1353 13.795,1354 11.524,1355 9.165,1356 0.458,1357 0.322,1358 5.633,1359 8.37,1360 5.473,1361 4.553,1362 9.348,1363 6.434,1364 7.962,1365 0.306,1366 0.18,1367 8.07,1368 4.686,1369 6.298,1370 0.203,1371 0.101,1372 6.738,1373 3.119,1374 4.798,1375 0.137,1376 0.057,1377 5,1378 1.978,1379 3.487,1380 0.089,1381 0.029,1382 3.668,1383 1.134,1384 0.413,1385 65.257,1386 0.276,1387 19.479,1388 0.683,1389 92,1390 342.834,1391 165.526,1392 346.935,1393 444.38,1394 320,1395 103,1396 282.675,1397 144.593,1398 295.634,1399 424.19,1400 278,1401 6.796}
{0 CHEMBL1573563,1 1.588,2 10.2,3 3.966,4 15.729,5 81.564,6 7.695,7 0.571,8 3.644,9 3.759,10 3.225,11 3.175,12 4.886,13 3.164,14 4.087,15 4.26,16 3.521,17 3.493,18 5.374,19 3.469,20 4.269,21 4.452,22 3.536,23 3.585,24 5.478,25 3.534,26 4.347,27 4.586,28 3.309,29 3.46,30 5.5,31 3.374,32 4.167,33 4.429,34 3.061,35 3.289,36 5.184,37 3.173,38 3.896,39 4.143,40 3.028,41 3.14,42 5.003,43 3.04,44 3.757,45 3.971,46 2.927,47 3.034,48 4.973,49 2.957,50 3.689,51 3.933,52 2.757,53 2.921,54 4.691,55 2.837,56 0.062,57 0.509,58 6.58,59 3.026,60 9.171,61 3.794,62 0.211,63 0.759,64 11.695,65 4.359,66 32.156,67 5.921,68 0.135,69 0.889,70 14.14,71 5.284,72 20.574,73 7.171,74 0.272,75 0.867,76 17.571,77 5.523,78 41.08,79 7.724,80 0.245,81 0.697,82 15.318,83 5.198,84 37.839,85 7.326,86 0.195,87 0.564,88 10.998,89 4.145,90 24.365,91 6.024,92 0.197,93 0.518,94 8.943,95 2.998,96 23.28,97 4.305,98 0.118,99 0.46,100 8.834,101 2.953,102 15.968,103 4.222,104 21,105 28,106 0.291,107 0.576,108 0.639,109 0.722,110 0.754,111 0.764,112 3.056,113 0.869,114 -4.11,115 -4.05,116 -3.84,120 42.9,125 2,143 8,144 1,145 3,159 1,167 1,168 1,172 1,174 6,175 1,177 7,180 1,182 1,185 6,186 2,189 12,194 2,197 4,198 2,201 7,206 2,213 1,214 1,215 1,222 4,226 2,228 1,230 1,235 8,239 1,243 1,247 6,252 2,260 2,261 2,264 4,269 2,272 2,274 480,275 13.137,276 13.137,277 13.137,278 13.137,279 13.137,280 11.465,281 16.237,282 7.761,283 13.33,284 10.318,285 10.318,286 10.318,287 10.318,288 10.318,289 7.757,290 16.436,291 3.654,292 10.605,293 3.542,294 1.986,295 1.643,296 1.186,297 1.015,298 0.957,299 3.714,305 1,306 1,307 1,308 418,309 3.162,313 144.927,320 1.64,321 17.405,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 43.5,333 204,334 4.184,335 3.576,336 5.931,337 3.788,338 2.801,339 3.793,340 1.437,341 8.241,342 2.771,343 4.113,344 2.99,345 5.927,346 3.74,347 2.77,348 3.692,349 0.8,350 8.216,351 2.673,352 3.794,353 2.695,354 5.38,355 3.408,356 2.444,357 3.151,359 7.014,360 2.349,361 3.58,362 2.459,363 5.203,364 3.218,365 2.248,366 2.885,368 6.523,369 2.171,370 2.847,371 1.909,372 3.824,373 2.322,374 1.342,375 1.863,377 3.082,378 1.301,379 2.555,380 1.483,381 3.767,382 2.203,383 1.235,384 1.517,386 2.912,387 1.185,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.272,407 0.763,408 3.145,409 1.635,410 0.648,411 1.004,413 1.531,414 0.637,415 1.088,416 0.444,417 2.355,418 0.729,419 -0.235,420 -0.289,422 -0.561,423 -0.225,424 0.859,425 -0.043,426 2,427 0.37,428 -0.622,429 -0.862,431 -1.39,432 -0.61,433 0.5,434 -0.526,435 2,437 -1,438 -1,440 -2,441 -0.9,442 0.5,443 -0.6,444 1.866,446 -1,447 -1.321,449 -2,450 -0.967,451 0.435,452 -1,453 1.747,454 -0.008,455 -1,456 -1.5,458 -3,459 -1,461 -1,462 1.202,463 -0.1,464 -1,465 -1.5,467 -3,468 -1,469 9.367,470 0.468,471 0.527,472 0.026,473 28.75,474 1.438,475 16.5,476 0.825,477 12.25,478 0.613,479 11.371,480 0.569,481 21.233,482 0.607,483 19.491,484 0.975,485 6.007,486 0.3,487 3.551,488 0.178,489 0.178,491 0.31,496 0.748,497 1.214,498 0.771,499 1.055,500 0.744,501 0.946,502 0.669,503 1.058,504 0.774,505 0.858,506 0.389,507 0.819,508 0.887,509 1.363,510 1.039,511 1.225,512 0.709,513 1.16,514 1.182,515 1.069,516 1.139,517 1.027,518 1.074,519 1.055,520 0.899,521 0.807,522 0.942,523 0.864,524 0.977,525 0.906,526 0.201,527 0.869,528 0.666,529 0.902,530 0.257,531 0.883,532 0.635,533 0.961,534 1.078,535 0.976,536 0.515,537 1.063,538 0.82,539 0.827,540 0.966,541 0.86,542 0.65,543 0.899,544 4.5,545 0.074,546 2.444,547 0.75,548 0.844,549 0.653,550 0.162,551 0.174,552 0.23,553 0.12,554 4009,555 12303,556 1.966,557 42.9,559 14,562 1,567 1.608,568 1.818,569 3.332,570 -0.271,572 1,575 55.563,576 1.588,577 3.143,578 3.486,579 3.943,580 4.115,581 4.172,582 2.722,583 2.722,584 4.292,585 3.491,586 663.35,587 7.284,588 7138.65,590 1,591 1,592 1,593 179.525,594 1.485,595 4.237,596 0.214,597 0.007,598 0.087,599 0.028,600 0.042,601 0.041,602 0.01,603 0.012,604 0.019,605 0.009,606 0.471,607 0.5,608 1,609 1.013,610 91.294,611 -0.002,612 -0.065,613 0.025,614 -0.028,615 -0.103,616 -0.012,617 0.115,618 0.05,619 0.102,620 0.12,621 0.252,622 0.12,623 -0.103,624 -0.29,625 -0.154,626 -0.257,627 -0.003,628 -0.22,629 -0.18,630 -0.09,631 -0.143,632 -0.095,633 -0.117,634 -0.104,635 -0.032,636 0.098,637 0.072,638 0.113,639 -0.103,640 0.109,641 0.394,642 0.081,643 0.29,644 0.101,645 0.27,646 0.152,647 0.125,648 0.127,649 -0.158,650 -0.043,651 0.074,652 -0.129,653 -0.096,654 0.183,655 -0.007,656 0.095,657 -0.054,658 0.082,659 2.618,660 3.72,661 0.6,662 17.2,663 1.007,664 1.126,665 2.877,666 8.278,667 0.671,668 3.091,669 3.367,670 3.526,671 3.611,672 3.807,673 3.807,674 3.714,675 3.611,676 3.807,677 3.714,678 6.085,679 0.647,680 269.33,681 3.091,682 4.595,683 5.398,684 6.229,685 7.048,686 7.879,687 8.703,688 9.534,689 10.359,690 11.19,691 8.6,697 1,704 2,709 8,714 4,716 12,725 1,732 1,738 35,739 14,740 2,741 21,743 36,744 15,745 12,746 4,747 8,748 1,752 2,753 2,768 13,769 2,772 2,778 1,781 2,782 1,786 1,789 15,790 5,791 1,792 5,797 3,802 1,803 1,804 2,823 2,853 1,855 2,859 2,862 20,868 1,875 1,886 5.7,888 1,889 1,893 11,894 6.883,895 4.472,896 1.855,898 2.886,899 1.463,900 0.923,901 4.359,902 9.122,903 3.401,904 3.951,905 4.483,906 4.951,907 5.493,908 5.686,909 5.977,910 6.116,911 6.66,912 6.941,913 0.857,914 27,915 7.309,917 2.96,918 7.967,919 13.592,921 10.366,924 2.467,925 49.333,929 164.795,930 104.968,931 36.45,933 67.828,936 104.968,937 232.624,938 36.45,939 16.793,941 75.81,942 68.738,943 14.58,944 33.326,945 164.795,947 164.795,948 141.419,949 67.828,952 164.795,953 67.828,957 108.093,958 33.326,960 164.795,961 104.279,962 104.968,965 164.795,966 12.366,967 95.727,969 101.154,970 164.795,971 104.279,972 104.968,973 0.58,974 0.321,975 0.143,976 0.077,977 12,978 6,979 0.111,980 4,982 1,983 3.3,984 134.756,986 12,987 76.439,993 14.067,994 6.198,995 3.819,997 104.279,998 13.943,1003 2.693,1005 42.683,1006 374.042,1007 29,1013 10.72,1016 8.18,1017 -0.951,1020 35.262,1021 39.405,1022 0.31,1023 0.613,1024 0.68,1025 0.769,1026 0.802,1027 0.813,1028 4.595,1029 1,1030 5.371,1031 2.275,1032 4.043,1033 4.635,1034 1.806,1035 6.089,1036 3.992,1037 5.795,1038 0.648,1039 6.889,1040 2.275,1041 3.611,1042 4.29,1043 0.325,1044 6.855,1045 3.507,1046 7.074,1047 -0.235,1048 8.501,1049 1.531,1050 5.565,1051 6.759,1052 2.301,1053 9.798,1054 5.464,1055 8.387,1056 -0.622,1057 10.165,1058 -0.561,1059 5.889,1060 7.171,1061 0.268,1062 11.318,1063 5.736,1064 9.725,1065 -1,1066 11.86,1067 -1.39,1068 7.335,1069 9.123,1070 2.937,1071 13.751,1072 7.187,1073 11.082,1074 -1,1075 13.575,1076 -2,1077 7.996,1078 9.895,1079 0.188,1080 15.578,1081 7.802,1082 12.452,1083 -1,1084 15.304,1085 -2,1086 9.22,1087 11.594,1088 3.623,1089 17.814,1090 9.025,1091 2.801,1092 -1,1093 17.042,1094 -3,1095 10.048,1096 12.57,1097 0.125,1098 19.783,1099 9.816,1100 2.77,1101 8.241,1102 18.786,1103 -3,1104 11.165,1105 14.124,1106 4.331,1107 21.938,1108 10.928,1109 2.444,1110 8.216,1111 20.535,1112 3.793,1113 12.082,1114 15.225,1115 0.082,1116 23.975,1117 11.813,1118 2.248,1119 7.014,1120 22.289,1121 3.692,1122 13.147,1123 16.693,1124 5.048,1125 26.097,1126 12.869,1127 1.342,1128 6.523,1129 24.045,1130 3.151,1131 14.111,1132 17.873,1133 0.054,1134 28.167,1135 13.807,1136 1.235,1137 3.082,1138 25.804,1139 2.885,1140 15.152,1141 19.287,1142 5.769,1143 30.276,1144 14.835,1145 1,1146 2.912,1147 27.565,1148 1.863,1149 16.141,1150 20.518,1151 0.035,1152 32.363,1153 15.802,1154 4082,1155 7289,1156 13.523,1157 23.495,1158 31.833,1159 31.629,1160 32.016,1161 31.057,1162 30.978,1163 41.811,1164 4.473,1165 84.139,1166 30.175,1167 4.83,1168 5.576,1169 5.346,1170 4.788,1171 4.801,1172 6.793,1173 2.873,1174 13.805,1175 4.771,1176 11.453,1177 1.516,1178 1.506,1179 1.525,1180 1.479,1181 1.475,1182 1.991,1183 0.213,1184 4.007,1185 1.437,1186 3.969,1187 4.004,1188 3.92,1189 3.879,1190 7.475,1191 3.884,1192 3.88,1193 3.908,1194 3.823,1195 3.809,1196 6.351,1197 3.808,1198 3.465,1199 3.553,1200 3.364,1201 3.224,1202 5.017,1203 3.238,1204 3.308,1205 3.319,1206 3.233,1207 3.053,1208 4.692,1209 3.097,1210 2.958,1211 3.018,1212 2.877,1213 2.735,1214 4.441,1215 2.715,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 4.119,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.684,1226 3.674,1227 2.714,1228 2.854,1229 2.925,1230 2.499,1231 2.618,1232 3.674,1233 2.57,1234 0.199,1235 0.17,1236 0.282,1237 0.18,1238 0.133,1239 4.184,1240 0.181,1241 3.576,1242 0.068,1243 5.931,1244 0.392,1245 3.788,1246 0.132,1247 2.801,1248 3.793,1249 1.437,1250 8.241,1251 2.771,1252 1.92,1253 1.892,1254 2.02,1255 2.034,1256 1.103,1257 2.031,1258 1.871,1259 1.845,1260 1.979,1261 1.969,1262 1.067,1263 1.973,1264 1.418,1265 1.327,1266 1.714,1267 1.681,1268 0.773,1269 1.695,1270 1.15,1271 1.14,1272 1.417,1273 1.454,1274 0.469,1275 1.38,1276 0.934,1277 0.821,1278 1.232,1279 1.239,1280 0.218,1281 1.308,1282 0.886,1283 0.821,1284 1.181,1285 1.149,1286 0.218,1287 1.107,1288 0.886,1289 0.804,1290 1.181,1291 1.062,1292 0.184,1293 1.107,1294 0.824,1295 0.769,1296 0.99,1297 1.062,1298 0.056,1299 1.095,1300 3.761,1302 5.043,1304 6.512,1306 8.054,1308 9.632,1310 3.945,1314 8.796,1321 2.006,1326 22.655,1327 55.563,1328 110.015,1329 122.015,1330 138.015,1331 144.015,1332 146.015,1333 31.928,1334 6.236,1335 65.26,1336 65.26,1337 12,1338 11.763,1339 3.907,1340 3.17,1341 36.855,1342 74,1343 58,1344 0.248,1345 144.825,1346 251,1347 345.133,1348 3652,1350 14.535,1351 0.727,1352 0.566,1353 14.535,1354 11.316,1355 9.559,1356 0.455,1357 0.29,1358 5.991,1359 9.166,1360 5.767,1361 4.881,1362 9.559,1363 6.086,1364 8.627,1365 0.308,1366 0.159,1367 8.627,1368 4.463,1369 6.652,1370 0.202,1371 0.084,1372 6.652,1373 2.761,1374 4.759,1375 0.132,1376 0.045,1377 4.759,1378 1.604,1379 3.647,1380 0.083,1381 0.023,1382 3.647,1383 1.002,1384 0.401,1385 60.158,1386 0.272,1387 20.495,1388 0.646,1389 98,1390 320.821,1391 107.618,1392 313.965,1393 418.4,1394 290,1395 110,1396 302.241,1397 119.234,1398 309.45,1399 437.73,1400 287,1401 5.774}
{0 CHEMBL1573720,1 1.578,2 11.281,3 4.449,4 19.793,5 121.815,6 7.492,7 0.486,8 4.16,9 4.274,10 3.734,11 3.68,12 5.299,13 3.663,14 4.706,15 4.879,16 4.087,17 4.08,18 5.845,19 4.047,20 4.982,21 5.186,22 4.203,23 4.249,24 6.003,25 4.188,26 5.142,27 5.351,28 4.308,29 4.302,30 6.312,31 4.249,32 5.139,33 5.346,34 4.268,35 4.352,36 6.369,37 4.284,38 5.197,39 5.412,40 4.124,41 4.353,42 6.247,43 4.25,44 5.157,45 5.413,46 3.892,47 4.183,48 6.147,49 4.055,50 4.861,51 5.121,52 3.681,53 3.928,54 5.872,55 3.799,56 0.174,57 0.851,58 11.712,59 5.28,60 12.014,61 6.938,62 0.333,63 1.384,64 22.506,65 8.54,66 48.261,67 11.714,68 0.428,69 1.72,70 31.309,71 11.731,72 42.037,73 16.175,74 1,75 1.873,76 39.133,77 12.945,78 107.526,79 17.874,80 0.835,81 1.956,82 37.795,83 12.613,84 125.399,85 17.576,86 0.659,87 1.97,88 40.927,89 14.334,90 101.536,91 19.341,92 0.838,93 1.776,94 42.282,95 13.226,96 111.412,97 18.54,98 0.516,99 1.333,100 30.955,101 10.421,102 73.406,103 14.912,104 30,105 49,106 0.255,107 0.545,108 0.652,109 0.716,110 0.732,111 0.732,112 3.503,113 0.921,114 -4.57,115 -4.5,116 -4.23,120 41.4,121 2,123 1,126 4,128 1,143 10,144 2,145 1,147 1,153 1,159 1,167 3,174 14,176 2,177 3,185 14,188 5,189 8,197 10,200 8,201 10,209 8,213 5,214 10,222 10,226 1,227 8,235 8,239 2,240 6,247 4,251 2,252 9,260 1,264 14,274 1550,275 21.587,276 21.587,277 21.587,278 21.587,279 21.587,280 19.165,281 24.874,282 12.774,283 21.863,284 17.251,285 17.251,286 17.251,287 17.251,288 17.251,289 13.652,290 29.716,291 5.986,292 17.669,293 4.28,294 2.49,295 1.832,296 1.431,297 1.336,298 1.336,299 4.195,306 1,307 1,308 774,309 3.937,312 103.975,313 350.131,320 1.746,321 37.067,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 70,333 361,334 4.624,335 3.887,336 6.951,337 4.242,338 3.264,339 4.354,340 2.612,341 11.666,342 3.191,343 4.321,344 3.645,345 6.782,346 4.108,347 3.138,348 3.758,349 1.277,350 11.161,351 3.048,352 3.97,353 3.54,354 6.213,355 3.719,356 2.75,357 3.298,358 1.2,359 9.002,360 2.663,361 3.736,362 2.992,363 5.507,364 3.278,365 2.288,366 3.261,367 0.494,368 6.773,369 2.278,370 3.641,371 2.575,372 5.247,373 3.26,374 2.278,375 2.992,376 0.293,377 6.4,378 2.215,379 3.447,380 2.361,381 5.239,382 3.11,383 2.145,384 2.604,386 6.212,387 2.063,388 3.157,389 2.167,390 4.921,391 2.787,392 1.83,393 2.294,395 5.111,396 1.749,397 2.892,398 2.006,399 4,400 2.52,401 1.534,402 1.978,404 3.405,405 1.508,406 2.781,407 1.632,408 3.874,409 2.317,410 1.317,411 1.908,413 2.952,414 1.317,415 2.5,416 1.38,417 3.555,418 2.215,419 1.218,420 1.5,422 2.88,423 1.209,424 2.5,425 1.146,426 3.537,427 2,428 1,429 1.5,431 2.275,432 1,433 2.497,434 1.054,435 3.467,436 2,437 1,438 1.463,440 2.136,441 1,442 2.318,443 1.022,444 3.414,445 1.967,446 1,447 1.148,449 2.136,450 0.965,451 2.117,452 1,453 3.247,454 1.737,455 0.749,456 1,458 1.843,459 0.739,460 2,461 1,462 3.247,463 1.69,464 0.675,465 0.91,467 1.76,468 0.678,469 14.933,470 0.467,471 0.789,472 0.025,473 41.25,474 1.289,475 20.5,476 0.641,477 20.75,478 0.648,479 28.404,480 0.888,481 34.867,482 0.601,483 34.357,484 1.074,485 8.179,486 0.256,487 7.29,488 0.228,489 0.134,491 0.348,496 0.449,497 1.289,498 0.737,499 1.106,500 0.476,501 1.002,502 0.666,503 1.168,504 0.833,505 1.017,506 0.422,507 0.952,508 0.667,509 1.076,510 0.87,511 1.092,512 0.554,513 1.028,514 0.888,515 1.005,516 0.895,517 0.94,518 0.894,519 0.926,520 0.896,521 1.009,522 1.073,523 1.007,524 0.889,525 1.048,526 1.182,527 1.101,528 1.235,529 1.157,530 1.231,531 1.203,532 1.226,533 0.866,534 1.174,535 0.93,536 1.306,537 1.026,538 0.841,539 0.951,540 0.966,541 0.99,542 1.042,543 1.006,544 5,545 0.245,546 3.778,547 2.903,548 2.269,549 0.716,550 0.732,551 0.548,552 0.333,553 0.24,554 13564,555 37500,556 2.063,557 44.8,558 6,559 19,563 1,567 1.747,568 1.92,569 3.446,570 -0.743,572 1,575 91.512,576 1.578,577 3.368,578 4.026,579 4.427,580 4.522,581 4.522,582 2.85,583 3.477,584 4.974,585 3.657,586 1813.72,587 8.71,588 26400.2,590 1,593 339.763,594 1.448,595 4.925,596 0.143,597 0.008,598 0.077,599 0.055,600 0.04,601 0.013,602 0.016,603 0.016,604 0.011,605 0.008,606 0.387,607 0.17,608 1,609 0.825,610 167.224,611 0.226,612 -0.076,613 0.078,614 -0.023,615 0.03,616 -0.016,617 0.085,618 -0.029,619 0.054,620 0.003,621 0.161,622 0.024,623 0.105,624 -0.016,625 0.054,626 -0.085,627 0.054,628 -0.037,629 0.226,630 -0.01,631 0.1,632 0.033,633 0.105,634 0.036,635 0.06,636 0.055,637 -0.116,638 -0.039,639 0.118,640 -0.093,641 -0.181,642 -0.117,643 -0.264,644 -0.165,645 -0.188,646 -0.223,647 -0.156,648 0.056,649 -0.144,650 0.02,651 -0.176,652 -0.049,653 0.031,654 -0.041,655 0.038,656 -0.008,657 -0.025,658 0.009,659 2.573,660 6.058,661 0.719,662 30.695,663 1.008,664 1.128,665 3.344,666 11.181,667 0.659,668 3.584,669 3.912,670 4.22,671 4.511,672 4.7,673 4.71,674 4.844,675 4.963,676 4.99,677 5.081,678 7.033,679 0.633,680 434.54,681 3.584,682 5.13,683 5.994,684 6.884,685 7.769,686 8.666,687 9.558,688 10.457,689 11.352,690 12.252,691 6.9,694 1,698 1,701 1,702 1,709 10,710 1,712 1,714 5,716 17,724 1,731 1,738 58,739 20,740 2,741 35,743 61,744 24,745 15,746 2,747 10,748 1,752 4,753 4,759 2,766 1,768 16,769 8,770 1,772 3,775 1,778 3,782 1,786 1,789 26,790 7,792 8,796 1,797 4,803 1,804 4,822 1,823 3,851 1,855 4,859 2,862 32,869 4,874 2,875 2,886 6.9,889 1,891 1,892 2,893 16.667,894 10.967,895 7.083,896 3.626,898 2.167,899 1.286,900 0.957,901 6.684,902 9.753,903 3.861,904 4.422,905 4.962,906 5.514,907 5.919,908 5.974,909 6.196,910 6.513,911 6.598,912 6.814,913 1,914 53,915 11.914,917 5.162,918 7.88,919 22.498,921 18.576,924 2.38,925 76.167,928 1,929 306.049,930 142.874,931 31.515,933 85.626,936 142.874,937 391.675,938 31.515,939 23.32,940 11.547,941 94.762,942 49.446,943 24.743,944 5.449,945 306.049,946 50.747,947 306.049,948 174.389,949 85.626,952 306.049,953 34.879,954 50.747,956 35.079,957 114.044,958 25.267,960 306.049,961 117.141,962 142.874,965 306.049,966 30.461,967 124.332,969 105.223,970 306.049,971 117.141,972 142.874,973 0.58,974 0.349,975 0.201,976 0.111,977 23,978 11,979 0.098,980 6,982 1,983 4.171,984 298.723,986 23,987 132,993 22.191,994 9.638,995 4.623,997 111.471,998 20.562,999 3.762,1001 5.156,1003 1.971,1006 566.064,1007 46.5,1010 -0.573,1013 36.212,1017 -0.456,1020 58.436,1021 65.398,1022 0.269,1023 0.575,1024 0.687,1025 0.756,1026 0.772,1027 0.772,1028 5.101,1029 1.534,1030 5.984,1031 5.111,1032 4.595,1033 5.109,1034 2.893,1035 6.834,1036 4.548,1037 6.294,1038 1.317,1039 7.568,1040 3.405,1041 4.205,1042 4.856,1043 2.524,1044 7.861,1045 4.124,1046 7.595,1047 1.218,1048 9.261,1049 2.952,1050 6.213,1051 7.237,1052 4.255,1053 11.008,1054 6.111,1055 8.934,1056 1,1057 11.02,1058 2.88,1059 6.686,1060 7.848,1061 4.55,1062 12.903,1063 6.553,1064 10.31,1065 1,1066 12.822,1067 2.275,1068 8.159,1069 9.688,1070 5.972,1071 15.572,1072 8.005,1073 11.711,1074 1,1075 14.653,1076 2.136,1077 9.014,1078 10.707,1079 6.566,1080 17.796,1081 8.831,1082 13.133,1083 0.749,1084 16.505,1085 2.136,1086 10.286,1087 12.327,1088 7.8,1089 20.311,1090 10.081,1091 3.264,1092 0.675,1093 18.372,1094 1.843,1095 11.313,1096 13.554,1097 8.55,1098 22.664,1099 11.081,1100 3.138,1101 11.666,1102 20.251,1103 1.76,1104 12.51,1105 15.079,1106 9.671,1107 25.127,1108 12.255,1109 2.75,1110 11.161,1111 22.139,1112 4.354,1113 13.613,1114 16.416,1115 10.509,1116 27.531,1117 13.332,1118 2.288,1119 9.002,1120 24.034,1121 3.758,1122 14.784,1123 17.9,1124 11.563,1125 29.977,1126 14.48,1127 2.278,1128 6.773,1129 25.934,1130 3.298,1131 15.921,1132 19.296,1133 12.452,1134 32.402,1135 15.592,1136 2.145,1137 6.4,1138 27.839,1139 3.261,1140 17.085,1141 20.765,1142 13.468,1143 34.844,1144 16.733,1145 1.83,1146 6.212,1147 29.748,1148 2.992,1149 18.237,1150 22.192,1151 14.386,1152 37.278,1153 17.861,1154 13042,1155 21918,1156 23.175,1157 38.216,1158 53.713,1159 55.083,1160 55.228,1161 53.105,1162 53.05,1163 68.77,1164 11.751,1165 153.281,1166 51.914,1167 5.624,1168 5.887,1169 6.753,1170 5.31,1171 5.264,1172 7.354,1173 4.612,1174 19.143,1175 5.191,1176 16.771,1177 1.535,1178 1.574,1179 1.578,1180 1.517,1181 1.516,1182 1.965,1183 0.336,1184 4.379,1185 1.483,1186 4.058,1187 4.088,1188 4.029,1189 3.949,1190 7.815,1191 3.948,1192 3.984,1193 4.008,1194 3.933,1195 3.803,1196 7.428,1197 3.841,1198 3.808,1199 3.841,1200 3.729,1201 3.753,1202 6.999,1203 3.743,1204 3.76,1205 3.822,1206 3.661,1207 3.567,1208 5.162,1209 3.578,1210 3.544,1211 3.602,1212 3.448,1213 3.323,1214 4.808,1215 3.327,1216 3.376,1217 3.401,1218 3.31,1219 3.068,1220 4.688,1221 3.092,1222 3.181,1223 3.232,1224 3.083,1225 2.941,1226 4.296,1227 2.942,1228 3.111,1229 3.206,1230 2.868,1231 2.846,1232 4.132,1233 2.91,1234 0.132,1235 0.111,1236 0.199,1237 0.121,1238 0.093,1239 4.624,1240 0.124,1241 3.887,1242 0.075,1243 6.951,1244 0.333,1245 4.242,1246 0.091,1247 3.264,1248 4.354,1249 2.612,1250 11.666,1251 3.191,1252 1.985,1253 1.956,1254 2.1,1255 2.091,1256 1.346,1257 2.094,1258 1.824,1259 1.794,1260 1.961,1261 2.003,1262 1.171,1263 1.965,1264 1.779,1265 1.741,1266 1.95,1267 1.926,1268 1.153,1269 1.926,1270 1.711,1271 1.652,1272 1.927,1273 1.905,1274 1.01,1275 1.917,1276 1.47,1277 1.425,1278 1.559,1279 1.785,1280 0.825,1281 1.736,1282 1.198,1283 1.153,1284 1.513,1285 1.53,1286 0.654,1287 1.458,1288 1.153,1289 1.064,1290 1.417,1291 1.376,1292 0.57,1293 1.429,1294 1.05,1295 1.02,1296 1.379,1297 1.32,1298 0.469,1299 1.308,1300 4.263,1302 5.587,1303 2.398,1304 7.114,1305 4.727,1306 8.73,1307 6.862,1308 10.394,1310 3.543,1315 2.192,1320 -0.164,1321 3.962,1326 36.74,1327 91.512,1328 195.324,1329 233.524,1330 256.743,1331 262.253,1332 262.253,1333 74.363,1334 7.586,1335 95.4,1336 95.4,1337 23,1338 12.775,1339 4.392,1340 3.644,1341 51.8,1342 141,1343 108,1344 0.186,1345 225.301,1346 394.38,1347 541.495,1348 18925,1350 22.665,1351 0.708,1352 0.568,1353 22.665,1354 18.178,1355 15.469,1356 0.442,1357 0.307,1358 10.586,1359 14.783,1360 10.321,1361 8.574,1362 15.469,1363 10.742,1364 13.878,1365 0.283,1366 0.168,1367 13.878,1368 8.208,1369 11.616,1370 0.173,1371 0.087,1372 11.616,1373 5.8,1374 10.065,1375 0.112,1376 0.047,1377 10.065,1378 4.211,1379 8.133,1380 0.075,1381 0.027,1382 8.133,1383 2.936,1384 0.292,1385 97.804,1386 0.208,1387 29.675,1388 0.514,1389 168,1390 527.523,1391 186.484,1392 503.137,1393 677.81,1394 466,1395 200,1396 507.306,1397 221.344,1398 502.313,1399 732.39,1400 471,1401 5.501}
{0 CHEMBL1573883,1 1.637,2 11.75,3 3.917,4 15.341,5 113.714,6 7.891,7 0.567,8 3.999,9 4.12,10 3.609,11 3.558,12 5.134,13 3.528,14 4.489,15 4.656,16 3.955,17 3.896,18 5.62,19 3.85,20 4.711,21 4.913,22 4.025,23 4.027,24 5.813,25 3.958,26 4.659,27 4.836,28 3.992,29 4.026,30 5.81,31 3.948,32 4.709,33 4.908,34 4.003,35 4.016,36 5.921,37 3.932,38 4.697,39 4.917,40 3.908,41 3.965,42 5.798,43 3.873,44 4.633,45 4.835,46 3.893,47 3.925,48 5.771,49 3.83,50 4.572,51 4.775,52 3.845,53 3.867,54 5.685,55 3.753,56 0.059,57 0.731,58 9.538,59 4.363,60 7.673,61 5.541,62 0.214,63 1.14,64 18.658,65 6.967,66 24.384,67 9.234,68 0.361,69 1.358,70 27.008,71 9.303,72 42.091,73 11.804,74 0.217,75 1.334,76 24.755,77 8.989,78 34.616,79 10.965,80 0.34,81 1.381,82 27.306,83 9.477,84 54.716,85 11.963,86 0.287,87 1.305,88 24.85,89 9.258,90 42.519,91 12.19,92 0.252,93 1.236,94 24.492,95 8.846,96 45.134,97 10.918,98 0.267,99 1.192,100 23.903,101 8.344,102 43.778,103 10.31,104 29,105 40,106 0.274,107 0.607,108 0.758,109 0.867,110 0.874,111 0.874,112 3.375,113 0.95,114 -4.33,115 -4.27,116 -4.03,120 42,121 2,126 2,143 9,144 3,145 1,147 2,159 1,160 1,171 1,174 10,177 8,180 1,181 1,182 2,185 11,189 9,192 1,193 1,194 3,197 10,201 5,206 4,209 11,213 1,214 3,217 2,219 6,222 11,226 1,227 4,230 1,232 8,235 10,240 4,245 6,247 7,252 3,255 1,257 5,260 5,263 1,264 2,267 1,269 3,271 2,274 1362,275 19.154,276 19.154,277 19.154,278 19.154,279 19.154,280 16.988,281 14.7,282 11.678,283 19.664,284 14.75,285 14.75,286 14.75,287 14.75,288 14.75,289 11.316,290 14.354,291 5.399,292 15.44,293 4.007,294 2.021,295 1.121,296 0.47,297 0.43,298 0.43,299 4.059,306 1,307 1,308 684,309 3.873,313 234.206,317 129.552,320 1.804,321 23.367,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 60,333 329,334 4.604,335 3.777,336 6.704,337 4.164,338 3.173,339 4.526,340 1.737,341 10.884,342 3.143,343 4.144,344 3.581,345 6.1,346 3.751,347 2.764,348 3.766,349 0.98,350 8.895,351 2.727,352 3.83,353 3.002,354 5.666,355 3.439,356 2.473,357 3.231,358 0.86,359 7.422,360 2.406,361 3.717,362 2.862,363 5.322,364 3.318,365 2.375,366 3.132,367 0.142,368 6.893,369 2.232,370 3.625,371 2.585,372 5.031,373 3.184,374 2.285,375 2.815,377 6.055,378 2.018,379 3.06,380 1.85,381 4.547,382 2.559,383 1.594,384 2.316,386 4.46,387 1.536,388 3.009,389 1.71,390 4.38,391 2.545,392 1.553,393 2.16,395 4.145,396 1.529,397 2.804,398 1.559,399 3.66,400 2.32,401 1.339,402 1.944,404 2.967,405 1.31,406 2.5,407 1.454,408 3.567,409 2.054,410 1.105,411 1.5,413 2.275,414 1.043,415 2.293,416 1.266,417 3.414,418 2,419 1.044,420 1.227,422 2.271,423 1,424 2.156,425 1.249,426 3.17,427 1.975,428 1,429 1.13,431 1.833,432 0.961,433 2.136,434 1,435 3.134,436 1.767,437 0.796,438 1.051,440 1.679,441 0.768,442 1.683,443 0.894,444 2.75,445 1.31,446 0.315,447 0.389,449 0.634,450 0.307,451 1.239,452 0.303,453 2.584,454 0.869,455 -0.087,456 -0.105,458 -0.169,459 -0.082,460 1.002,461 0.106,462 2.44,463 0.571,464 -0.403,465 -0.528,467 -0.862,468 -0.389,469 13.6,470 0.486,471 0.554,472 0.02,473 36.25,474 1.295,475 19,476 0.679,477 17.25,478 0.616,479 22.297,480 0.796,481 29.6,482 0.592,483 28.347,484 1.012,485 7.338,486 0.262,487 6.28,488 0.224,489 0.159,491 0.294,496 0.817,497 1.087,498 0.683,499 0.877,500 0.656,501 0.887,502 0.913,503 1.124,504 0.724,505 0.935,506 0.617,507 0.914,508 1.179,509 0.914,510 0.894,511 0.839,512 0.956,513 0.804,514 1.245,515 1.176,516 1.138,517 1.096,518 1.374,519 1.039,520 0.914,521 1.086,522 1.044,523 1.103,524 1.145,525 1.025,526 0.969,527 0.947,528 0.763,529 0.845,530 1.217,531 0.913,532 1.342,533 1.053,534 0.993,535 0.949,536 1.631,537 0.964,538 1.248,539 1.076,540 1.099,541 1.048,542 1.487,543 1.047,544 5,545 0.128,546 3.111,547 1.375,548 1.529,549 1.139,550 0.566,551 0.361,552 0.373,553 0.228,554 9110,555 25702,556 2.034,557 44,559 13,562 3,564 6,567 1.714,568 1.909,569 3.478,570 0.917,572 1,575 81.847,576 1.637,577 3.623,578 4.523,579 5.174,580 5.214,581 5.214,582 2.999,583 4.012,584 4.768,585 3.628,586 1371.36,587 8.32,588 18130.2,590 1,592 1,593 282.193,594 1.379,595 4.74,596 0.167,597 0.006,598 0.078,599 0.032,600 0.037,601 0.028,602 0.015,603 0.01,604 0.012,605 0.009,606 0.395,607 0.17,608 1,609 1.803,610 140.583,611 -0.012,612 0.034,613 0.02,614 0.008,615 -0.083,616 0.022,617 0.074,618 -0.072,619 0.081,620 -0.035,621 0.092,622 0.012,623 -0.04,624 0.099,625 0.055,626 0.117,627 0.013,628 0.146,629 -0.186,630 -0.111,631 -0.158,632 -0.103,633 -0.154,634 -0.099,635 0.087,636 -0.037,637 -0.057,638 -0.121,639 0.136,640 -0.075,641 0.03,642 0.023,643 0.08,644 0.049,645 0.015,646 0.046,647 -0.172,648 -0.054,649 -0.022,650 0.022,651 -0.147,652 -0.011,653 -0.132,654 -0.048,655 -0.05,656 -0.033,657 -0.176,658 -0.09,659 1.953,660 5.781,661 0.571,662 30.352,663 1.002,664 1.121,665 3.101,666 9.614,667 0.689,668 3.434,669 3.714,670 3.97,671 4.22,672 4.489,673 4.585,674 4.754,675 4.86,676 4.963,677 4.99,678 6.637,679 0.649,680 394.54,681 3.434,682 4.949,683 5.784,684 6.648,685 7.509,686 8.385,687 9.26,688 10.144,689 11.026,690 11.915,691 8,698 3,701 1,708 2,709 9,710 1,714 4,716 17,735 1,738 50,739 19,740 2,741 30,743 52,744 21,745 15,746 4,747 8,748 1,752 3,753 4,757 1,759 2,768 17,769 4,772 2,778 1,779 1,782 2,786 1,789 22,790 6,791 3,792 7,793 1,797 4,801 1,803 0.667,804 2,816 1,823 3,827 1,855 2,857 1,859 2,862 28,869 2,871 3,872 1,886 4,889 1,891 1,893 14.667,894 9.45,895 6.444,896 3.156,898 3.457,899 1.47,900 0.976,901 6.928,902 10.817,903 3.726,904 4.304,905 4.907,906 5.521,907 6.16,908 6.519,909 7.018,910 7.452,911 7.888,912 8.14,913 1,914 43,915 10.305,917 4.232,918 7.75,919 19.517,921 15.265,924 2.25,925 63,927 1,928 1,929 223.651,930 178.904,931 70.573,933 36.145,935 45.192,936 133.712,937 259.796,938 70.573,939 17.65,940 60.485,941 85.286,942 46.635,943 30.088,944 0.285,945 223.651,946 45.192,947 223.651,948 204.285,949 36.145,950 45.192,952 153.024,953 106.771,956 83.037,957 104.463,958 16.786,959 45.192,960 223.651,961 106.718,962 178.904,965 223.651,966 30.776,967 102.937,968 53.787,969 98.122,970 223.651,971 106.718,972 178.904,973 0.561,974 0.326,975 0.178,976 0.099,977 17,978 8,979 0.115,980 6,981 1,982 1.125,983 3.926,984 235.137,985 0.125,986 16,987 130.606,990 1,993 20.208,994 9.599,995 5.056,996 1.513,997 106.718,998 16.988,999 4.709,1003 2.924,1005 53.787,1006 509.273,1007 40.5,1013 12.781,1014 5.092,1017 0.076,1020 50.091,1021 56.069,1022 0.29,1023 0.642,1024 0.801,1025 0.917,1026 0.924,1027 0.924,1028 4.929,1029 1.339,1030 5.746,1031 4.145,1032 4.394,1033 4.99,1034 2.253,1035 6.532,1036 4.323,1037 6.126,1038 1.105,1039 7.287,1040 2.967,1041 3.892,1042 4.783,1043 1.305,1044 7.402,1045 3.795,1046 7.425,1047 1.044,1048 8.931,1049 2.275,1050 5.953,1051 7.213,1052 2.793,1053 10.507,1054 5.835,1055 8.765,1056 1,1057 10.638,1058 2.271,1059 6.293,1060 7.859,1061 2.523,1062 12.232,1063 6.17,1064 10.139,1065 0.796,1066 12.386,1067 1.833,1068 7.799,1069 9.757,1070 3.605,1071 14.853,1072 7.66,1073 11.537,1074 0.315,1075 14.162,1076 1.679,1077 8.542,1078 10.822,1079 3.713,1080 16.941,1081 8.406,1082 12.955,1083 -0.087,1084 15.96,1085 0.634,1086 9.816,1087 12.494,1088 4.568,1089 19.399,1090 9.67,1091 3.173,1092 -0.403,1093 17.773,1094 -0.169,1095 10.759,1096 13.777,1097 4.876,1098 21.648,1099 10.617,1100 2.764,1101 10.884,1102 19.599,1103 -0.862,1104 11.939,1105 15.348,1106 5.603,1107 24.05,1108 11.791,1109 2.473,1110 8.895,1111 21.436,1112 4.526,1113 12.981,1114 16.743,1115 6.017,1116 26.371,1117 12.834,1118 2.375,1119 7.422,1120 23.281,1121 3.766,1122 14.128,1123 18.272,1124 6.671,1125 28.755,1126 13.975,1127 2.285,1128 6.893,1129 25.134,1130 3.231,1131 15.22,1132 19.722,1133 7.143,1134 31.109,1135 15.065,1136 1.594,1137 6.055,1138 26.993,1139 3.132,1140 16.358,1141 21.234,1142 7.755,1143 33.49,1144 16.197,1145 1.553,1146 4.46,1147 28.857,1148 2.815,1149 17.475,1150 22.712,1151 8.261,1152 35.859,1153 17.31,1154 9098,1155 15419,1156 19.879,1157 34.432,1158 44.02,1159 46.234,1160 45.558,1161 43.724,1162 43.631,1163 58.372,1164 7.438,1165 120.826,1166 41.962,1167 5.511,1168 5.777,1169 6.477,1170 5.207,1171 5.173,1172 7.526,1173 3.075,1174 18.038,1175 5.143,1176 14.142,1177 1.467,1178 1.541,1179 1.519,1180 1.457,1181 1.454,1182 1.946,1183 0.248,1184 4.028,1185 1.399,1186 4.105,1187 4.129,1188 4.077,1189 4.039,1190 7.429,1191 4.044,1192 3.871,1193 3.892,1194 3.91,1195 3.807,1196 4.997,1197 3.805,1198 3.659,1199 3.735,1200 3.814,1201 3.495,1202 4.868,1203 3.464,1204 3.523,1205 3.573,1206 3.453,1207 3.392,1208 4.811,1209 3.388,1210 3.459,1211 3.529,1212 3.311,1213 3.255,1214 4.429,1215 3.249,1216 3.307,1217 3.378,1218 3.217,1219 3.147,1220 4.22,1221 3.112,1222 3.118,1223 3.156,1224 3.141,1225 2.992,1226 4.115,1227 2.976,1228 2.878,1229 2.944,1230 2.804,1231 2.735,1232 4.029,1233 2.723,1234 0.153,1235 0.126,1236 0.223,1237 0.139,1238 0.106,1239 4.604,1240 0.151,1241 3.777,1242 0.058,1243 6.704,1244 0.363,1245 4.164,1246 0.105,1247 3.173,1248 4.526,1249 1.737,1250 10.884,1251 3.143,1252 2.062,1253 2.043,1254 2.126,1255 2.142,1256 1.251,1257 2.138,1258 1.862,1259 1.842,1260 1.972,1261 1.954,1262 1.068,1263 1.959,1264 1.581,1265 1.511,1266 1.843,1267 1.829,1268 0.993,1269 1.838,1270 1.493,1271 1.449,1272 1.787,1273 1.702,1274 0.926,1275 1.731,1276 1.438,1277 1.372,1278 1.606,1279 1.668,1280 0.665,1281 1.653,1282 1.246,1283 1.182,1284 1.379,1285 1.474,1286 0.355,1287 1.483,1288 1.048,1289 1.018,1290 1.201,1291 1.246,1292 0.259,1293 1.244,1294 0.886,1295 0.821,1296 1.181,1297 1.076,1298 0.218,1299 1.107,1300 4.111,1302 5.398,1304 6.893,1306 8.487,1308 10.139,1310 3.87,1315 1.279,1317 8.275,1318 5.492,1326 32.444,1327 81.847,1328 181.16,1329 226.154,1330 258.683,1331 260.683,1332 260.683,1333 48.92,1334 7.361,1335 75.28,1336 107.37,1337 18,1338 12.447,1339 4.322,1340 3.524,1341 49.501,1342 107,1343 134,1344 0.223,1345 207.056,1346 355.77,1347 496.977,1348 14815,1350 19.933,1351 0.712,1352 0.593,1353 20.433,1354 16.599,1355 13.618,1356 0.454,1357 0.317,1358 9.012,1359 12.879,1360 8.745,1361 7.316,1362 13.906,1363 9.5,1364 11.622,1365 0.291,1366 0.159,1367 12.03,1368 6.376,1369 9.58,1370 0.184,1371 0.083,1372 9.869,1373 4.295,1374 7.896,1375 0.118,1376 0.044,1377 8.124,1378 2.981,1379 6.509,1380 0.074,1381 0.022,1382 6.64,1383 1.902,1384 0.348,1385 87.849,1386 0.224,1387 26.744,1388 0.62,1389 140,1390 416.975,1391 166.953,1392 427.561,1393 581.74,1394 400,1395 162,1396 416.556,1397 182.94,1398 428.327,1399 624.82,1400 405,1401 4.721}
{0 CHEMBL1573902,1 1.923,2 10.333,3 4.11,4 16.891,5 84.963,6 9.558,7 0.4,8 3.881,9 3.953,10 3.625,11 3.304,12 5.143,13 3.391,14 4.453,15 4.542,16 4.134,17 3.655,18 6.189,19 3.761,20 4.659,21 4.785,22 4.167,23 3.715,24 6.228,25 3.807,26 4.566,27 4.705,28 4.032,29 3.638,30 6.054,31 3.728,32 4.509,33 4.66,34 4,35 3.512,36 6.306,37 3.616,38 4.475,39 4.66,40 3.837,41 3.415,42 6.042,43 3.525,44 4.318,45 4.478,46 3.712,47 3.296,48 5.874,49 3.416,50 4.238,51 4.389,52 3.608,53 3.268,54 5.729,55 3.361,56 0.419,57 0.768,58 4.479,59 3.704,60 41.093,61 3.105,62 1.338,63 1.496,64 11.585,65 6.2,66 160.241,67 5.326,68 1.825,69 1.215,70 18.909,71 6.727,72 122.186,73 6.413,74 1.329,75 1.405,76 15.956,77 6.949,78 124.871,79 6.416,80 1.38,81 1.316,82 15.866,83 5.819,84 163.582,85 5.68,86 1.359,87 1.352,88 18.285,89 6.262,90 148.563,91 5.665,92 1.189,93 1.043,94 15.199,95 5.107,96 118.677,97 4.218,98 1.141,99 1.012,100 13.517,101 4.999,102 122.783,103 3.937,104 18,105 45,106 0.341,107 0.624,108 0.707,109 0.803,110 0.824,111 0.833,112 3.34,113 0.789,114 -3.51,115 -3.49,116 -3.33,120 42.5,126 2,133 2,143 7,145 5,160 1,174 4,176 1,177 4,180 4,181 1,182 2,185 3,188 1,189 7,194 1,197 2,200 2,201 5,204 3,206 4,214 1,217 1,219 3,226 1,227 6,230 1,232 2,239 1,240 4,243 1,245 2,251 2,260 4,263 2,271 6,274 1058,275 17.803,276 17.803,277 17.803,278 17.803,279 17.803,280 16.173,281 24.225,282 10.288,283 18.496,284 14.844,285 14.844,286 14.844,287 14.844,288 14.844,289 12.344,290 32.592,291 4.905,292 16.07,293 3.399,294 1.801,295 1.329,296 0.788,297 0.669,298 0.619,299 4.033,306 1,307 1,308 613,309 4.062,312 56.489,313 226.339,316 111.914,317 126.952,320 1.432,321 56.832,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 64.5,333 279,334 4.817,335 4.621,336 8.326,337 4.703,338 3.794,339 3.993,340 3.02,341 15.844,342 3.462,343 4.282,344 3.609,345 6.217,346 3.874,347 2.93,348 3.919,349 1.768,350 9.238,351 2.764,352 4.118,353 3.415,354 6.185,355 3.718,356 2.8,357 3.552,358 1.589,359 9.154,360 2.578,361 3.744,362 3.244,363 5.612,364 3.419,365 2.478,366 3.004,367 0.86,368 7.375,369 2.315,370 3.369,371 2.668,372 5.358,373 3.018,374 2.118,375 2.556,376 0.86,377 6.744,378 1.904,379 3.072,380 2.419,381 4.727,382 2.745,383 1.794,384 2.19,385 0.532,386 5.053,387 1.627,388 2.923,389 2.174,390 4.532,391 2.53,392 1.618,393 2.061,394 0.205,395 4.397,396 1.469,397 2.879,398 1.997,399 4.406,400 2.47,401 1.532,402 2.012,404 4.344,405 1.428,406 2.785,407 1.8,408 3.638,409 2.357,410 1.402,411 1.851,413 3.005,414 1.333,415 2.474,416 1.475,417 3.613,418 2.311,419 1.368,420 1.472,422 2.967,423 1.267,424 1.918,425 1.021,426 3.352,427 1.6,428 0.7,429 0.827,431 1.619,432 0.623,433 1.569,434 0.713,435 3.347,436 1.279,437 0.347,438 0.412,440 0.897,441 0.32,442 1.203,443 0.697,444 3.286,445 0.935,446 0.013,447 0.014,449 0.036,450 0.012,451 0.981,452 0.51,453 3.154,454 0.647,455 -0.338,456 -0.406,458 -0.93,459 -0.323,460 0.688,461 0.51,462 2.603,463 0.313,464 -0.618,465 -0.729,467 -1.589,468 -0.564,469 11.824,470 0.438,471 0.896,472 0.033,473 35,474 1.296,475 16,476 0.593,477 19,478 0.704,479 20.065,480 0.743,481 30.776,482 0.769,483 29.881,484 1.107,485 7.326,486 0.271,487 5.536,488 0.205,489 0.101,490 0.085,491 0.254,493 3,496 0.759,497 1.005,498 0.572,499 1.148,500 0.629,501 0.88,502 0.679,503 0.741,504 0.669,505 1.053,506 0.454,507 0.95,508 0.766,509 0.645,510 0.865,511 0.805,512 0.653,513 0.874,514 1.029,515 1.225,516 0.973,517 1.157,518 1.051,519 1.087,520 0.911,521 1.103,522 0.905,523 1.054,524 0.925,525 1.016,526 1.372,527 1.406,528 1.142,529 1.043,530 1.581,531 0.941,532 1.415,533 1.148,534 1.159,535 0.872,536 1.465,537 0.822,538 1.415,539 1.154,540 1.27,541 0.869,542 1.608,543 0.906,544 7.5,545 0.151,546 3.778,547 2.507,548 2.233,549 1.028,550 0.695,551 0.405,552 0.315,553 0.222,554 8859,555 33408,556 2.079,557 32.5,559 11,562 2,567 1.702,568 1.929,569 3.317,570 0.377,572 1,575 76.92,576 1.923,577 3.52,578 3.993,579 4.534,580 4.653,581 4.703,582 2.698,583 4.134,584 4.73,585 3.486,586 1223.68,587 8.213,588 15431.9,590 1,592 1,593 212.877,594 1.64,595 4.665,596 0.25,597 0.007,598 0.084,599 0.056,600 0.056,601 0.028,602 0.022,603 0.014,604 0.012,605 0.009,606 0.537,607 0.5,608 1,609 0.76,610 132.798,611 -0.112,612 -0.108,613 0.019,614 -0.115,615 -0.111,616 -0.002,617 0.246,618 0.237,619 0.108,620 -0.066,621 0.331,622 -0.093,623 0.196,624 0.177,625 0.063,626 0.114,627 0.107,628 0.031,629 -0.084,630 -0.256,631 -0.049,632 -0.188,633 -0.09,634 -0.142,635 0.07,636 -0.108,637 0.059,638 -0.131,639 0.233,640 -0.098,641 -0.25,642 -0.189,643 -0.057,644 -0.069,645 -0.22,646 0.041,647 -0.308,648 -0.086,649 -0.125,650 0.076,651 -0.225,652 0.115,653 -0.286,654 -0.03,655 -0.258,656 0.115,657 -0.335,658 0.033,659 6.282,660 5.576,661 0.704,662 21.525,663 1.064,664 1.149,665 2.285,666 5.219,667 0.661,668 3.434,669 3.829,670 4.094,671 4.369,672 4.625,673 4.644,674 4.691,675 4.754,676 4.754,677 4.727,678 6.16,679 0.686,680 382.32,681 3.434,682 5.017,683 5.883,684 6.799,685 7.693,686 8.61,687 9.516,688 10.434,689 11.345,690 12.264,691 5,698 2,709 7,714 5,716 12,735 4,738 40,739 13,740 2,741 30,743 43,744 17,745 12,746 5,747 7,752 4,753 6,757 1,759 1,765 1,768 13,769 4,772 1,778 1,782 1,786 1,787 3,789 13,790 10,791 2,792 10,797 2,803 0.5,804 5,822 1,823 3,826 1,827 1,855 2,861 3,862 27,869 2,871 2,872 4,876 2,885 3,886 12.5,889 1,891 4,893 14,894 7.095,895 5.66,896 2.197,898 2.145,899 1.287,900 0.984,901 4.478,902 9.608,903 3.638,904 4.22,905 4.691,906 5.211,907 5.713,908 5.814,909 6.054,910 6.306,911 6.343,912 6.369,913 0.857,914 45,915 11.089,917 6.11,918 8.444,919 17.861,921 14.715,924 2.944,925 79.5,929 129.482,930 111.284,931 36.022,933 69.144,934 44.88,936 111.284,937 198.627,938 80.902,940 45.206,941 66.334,942 25.145,943 112.61,944 4.276,945 129.482,946 7.76,947 129.482,948 147.306,949 114.025,952 129.482,953 114.025,956 52.966,957 94.34,960 174.362,961 105.166,962 111.284,965 137.242,966 37.191,967 66.334,968 36.022,969 114.025,970 129.482,971 150.046,972 111.284,973 0.6,974 0.346,975 0.186,976 0.109,977 24,978 10,979 0.047,980 2,981 2,982 1.211,983 3.806,984 240.041,985 0.211,986 19,987 115.627,993 18.07,994 6.691,995 3.467,997 150.046,998 10.056,1003 0.815,1005 36.022,1006 390.813,1007 37,1013 12.185,1017 -1.17,1020 42.563,1021 45.969,1022 0.361,1023 0.662,1024 0.75,1025 0.852,1026 0.874,1027 0.884,1028 4.934,1029 1.532,1030 5.948,1031 4.397,1032 4.511,1033 4.905,1034 3.341,1035 6.882,1036 4.358,1037 6.169,1038 1.402,1039 7.597,1040 4.344,1041 4.443,1042 4.856,1043 3.248,1044 8.385,1045 4.167,1046 7.519,1047 1.368,1048 9.382,1049 3.005,1050 6.297,1051 7.044,1052 4.788,1053 11.497,1054 5.986,1055 8.905,1056 0.7,1057 11.257,1058 2.967,1059 7.048,1060 7.719,1061 5.54,1062 13.885,1063 6.609,1064 10.327,1065 0.347,1066 13.198,1067 1.619,1068 8.495,1069 9.475,1070 6.738,1071 16.709,1072 8.004,1073 11.775,1074 0.013,1075 15.187,1076 0.897,1077 9.592,1078 10.477,1079 7.749,1080 19.369,1081 8.981,1082 13.243,1083 -0.338,1084 17.211,1085 0.036,1086 10.926,1087 12.05,1088 8.872,1089 22.142,1090 10.242,1091 3.794,1092 -0.618,1093 19.26,1094 -0.93,1095 12.161,1096 13.215,1097 9.953,1098 24.876,1099 11.368,1100 2.93,1101 15.844,1102 21.329,1103 -1.589,1104 13.473,1105 14.697,1106 11.061,1107 27.64,1108 12.595,1109 2.8,1110 9.238,1111 23.412,1112 3.993,1113 14.762,1114 15.949,1115 12.16,1116 30.395,1117 13.783,1118 2.478,1119 9.154,1120 25.505,1121 3.919,1122 16.077,1123 17.382,1124 13.266,1125 33.158,1126 15.007,1127 2.118,1128 7.375,1129 27.604,1130 3.552,1131 17.389,1132 18.683,1133 14.369,1134 35.918,1135 16.221,1136 1.794,1137 6.744,1138 29.71,1139 3.004,1140 18.71,1141 20.089,1142 15.474,1143 38.681,1144 17.449,1145 1.618,1146 5.053,1147 31.819,1148 2.556,1149 20.032,1150 21.419,1151 16.579,1152 41.443,1153 18.676,1154 8347,1155 16424,1156 19.761,1157 26.426,1158 46.299,1159 46.354,1160 47.507,1161 45.914,1162 45.784,1163 55.727,1164 17.667,1165 141.348,1166 42.207,1167 5.762,1168 6.621,1169 8.013,1170 5.843,1171 5.794,1172 6.993,1173 4.53,1174 24.453,1175 5.462,1176 12.696,1177 1.543,1178 1.545,1179 1.584,1180 1.53,1181 1.526,1182 1.858,1183 0.589,1184 4.712,1185 1.407,1186 3.992,1187 4.006,1188 3.958,1189 3.861,1190 8.513,1191 3.876,1192 3.931,1193 3.941,1194 3.889,1195 3.822,1196 7.999,1197 3.833,1198 3.626,1199 3.665,1200 3.598,1201 3.348,1202 7.999,1203 3.408,1204 3.478,1205 3.522,1206 3.401,1207 3.249,1208 7.431,1209 3.267,1210 3.275,1211 3.316,1212 3.206,1213 2.962,1214 5.006,1215 3.021,1216 2.965,1217 2.992,1218 2.931,1219 2.725,1220 4.947,1221 2.727,1222 2.897,1223 2.933,1224 2.79,1225 2.723,1226 4.402,1227 2.723,1228 2.857,1229 2.911,1230 2.726,1231 2.678,1232 4.354,1233 2.716,1234 0.161,1235 0.154,1236 0.278,1237 0.157,1238 0.126,1239 4.817,1240 0.133,1241 4.621,1242 0.101,1243 8.326,1244 0.528,1245 4.703,1246 0.115,1247 3.794,1248 3.993,1249 3.02,1250 15.844,1251 3.462,1252 1.891,1253 1.875,1254 1.984,1255 2.034,1256 1.107,1257 2.015,1258 1.845,1259 1.825,1260 1.956,1261 1.937,1262 1.03,1263 1.943,1264 1.483,1265 1.452,1266 1.69,1267 1.825,1268 0.92,1269 1.748,1270 1.398,1271 1.355,1272 1.508,1273 1.657,1274 0.595,1275 1.641,1276 1.079,1277 1.047,1278 1.202,1279 1.433,1280 0.222,1281 1.355,1282 0.859,1283 0.812,1284 1.122,1285 1.102,1286 0.176,1287 1.09,1288 0.844,1289 0.791,1290 1.064,1291 1.074,1292 0.116,1293 1.077,1294 0.801,1295 0.779,1296 0.976,1297 1.002,1298 0.073,1299 0.988,1300 4.111,1302 5.485,1303 2.398,1304 7.055,1305 4.844,1306 8.717,1307 7.081,1308 10.426,1312 40.728,1315 0.726,1317 4.013,1318 20.503,1322 -8.356,1326 27.454,1327 76.92,1328 140.819,1329 159.716,1330 181.367,1331 186.122,1332 188.122,1333 59.008,1334 7.463,1335 78.05,1336 78.05,1337 23,1338 12.775,1339 3.807,1340 3,1341 40.213,1342 100,1343 98,1344 0.196,1345 160.939,1346 297.1,1347 384.452,1348 17656,1349 7.5,1350 19.071,1351 0.706,1352 0.505,1353 16.571,1354 13.631,1355 12.862,1356 0.429,1357 0.263,1358 7.642,1359 11.913,1360 7.645,1361 6.188,1362 11.612,1363 7.889,1364 12.772,1365 0.284,1366 0.127,1367 11.052,1368 5.703,1369 10.087,1370 0.171,1371 0.065,1372 8.802,1373 3.808,1374 8.498,1375 0.109,1376 0.034,1377 8.016,1378 2.62,1379 7.26,1380 0.072,1381 0.017,1382 6.261,1383 1.761,1384 0.306,1385 84.128,1386 0.225,1387 25.724,1388 0.546,1389 150,1390 735.677,1391 191.11,1392 599.655,1393 786.49,1394 558,1395 179,1396 561.598,1397 217.6,1398 530.595,1399 816.88,1400 500,1401 4.903}
{0 CHEMBL1573994,1 1.497,2 9,3 3.112,4 9.682,5 83.244,6 7.088,7 0.25,8 3.728,9 3.872,10 3.316,11 3.278,12 4.756,13 3.197,14 4.25,15 4.467,16 3.658,17 3.616,18 5.143,19 3.512,20 4.389,21 4.619,22 3.685,23 3.727,24 5.289,25 3.616,26 4.491,27 4.717,28 3.631,29 3.816,30 5.375,31 3.653,32 4.545,33 4.808,34 3.53,35 3.764,36 5.392,37 3.564,38 4.457,39 4.754,40 3.184,41 3.563,42 5.239,43 3.326,44 4.212,45 4.533,46 2.943,47 3.273,48 4.931,49 3.034,50 3.712,51 3.94,52 2.764,53 3.001,54 4.621,55 2.842,56 0.065,57 0.608,58 9.601,59 3.723,60 9.183,61 5.119,62 0.163,63 0.938,64 19.499,65 5.82,66 13.699,67 8.315,68 0.22,69 1.049,70 20.999,71 6.282,72 18.06,73 9.157,74 0.183,75 1.127,76 23.256,77 8.026,78 19.515,79 11.008,80 0.231,81 1.116,82 27.179,83 8.515,84 25.279,85 11.599,86 0.19,87 0.94,88 24.207,89 7.638,90 26.255,91 10.529,92 0.189,93 0.714,94 21.238,95 6.301,96 19.349,97 8.28,98 0.086,99 0.502,100 10.44,101 3.345,102 11.806,103 4.744,104 25,105 27,106 0.272,107 0.622,108 0.819,109 0.828,110 0.856,111 0.856,112 3.01,113 1.117,114 -3.68,115 -3.65,116 -3.47,120 35.9,121 3,126 3,135 1,136 1,143 1,144 1,153 2,158 1,160 1,167 1,174 2,177 7,180 1,182 2,185 2,189 4,192 1,197 3,200 1,201 3,209 7,213 1,214 4,219 1,222 5,227 2,232 1,235 1,240 2,243 1,245 1,247 2,252 1,257 1,260 2,264 1,269 1,271 1,274 432,275 12.861,276 12.861,277 12.861,278 12.861,279 12.861,280 11.551,281 16.823,282 7.761,283 13.352,284 9.77,285 9.77,286 9.77,287 9.77,288 9.77,289 7.761,290 18.247,291 3.482,292 10.54,293 3.788,294 1.862,295 0.776,296 0.725,297 0.571,298 0.571,299 3.664,305 1,306 1,307 1,308 347,309 2.646,312 55.378,313 62.774,320 1.368,321 9.653,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 40,333 171,334 4.571,335 4.529,336 6.77,337 4.167,338 3.206,339 4.288,340 3.83,341 11.004,342 3.083,343 3.996,344 3.399,345 5.946,346 3.543,347 2.639,348 3.353,349 1.218,350 8.242,351 2.406,352 3.638,353 3.06,354 5.332,355 3.204,356 2.306,357 2.871,358 0.522,359 6.872,360 2.039,361 3.044,362 2.612,363 4.867,364 2.682,365 1.709,366 2.191,367 0.327,368 4.872,369 1.66,370 2.899,371 2.047,372 4.418,373 2.489,374 1.526,375 1.928,377 4.097,378 1.464,379 2.544,380 1.915,381 3.414,382 2.078,383 1.126,384 1.401,386 2.275,387 1.069,388 2.195,389 1.516,390 3.391,391 1.895,392 1,393 1.117,395 2.046,396 0.892,397 2.119,398 1.301,399 3.144,400 1.853,401 0.931,402 1.077,404 1.731,405 0.831,406 1.388,407 0.841,408 2.617,409 1.091,410 0.126,411 0.145,413 0.23,414 0.121,415 0.911,416 0.471,417 2.335,418 0.751,419 -0.179,420 -0.191,422 -0.325,423 -0.165,424 0.617,425 0.174,426 2,427 0.26,428 -0.703,429 -0.773,431 -1.378,432 -0.659,433 0.496,434 -0.283,435 2,436 0.16,437 -0.818,438 -1.093,440 -1.472,441 -0.797,442 0.325,443 -0.507,444 1.743,445 -0.056,446 -1,447 -1.119,449 -2.302,450 -0.851,451 0.155,452 -0.554,453 1.545,454 -0.129,455 -1,456 -1.365,458 -3,459 -0.947,460 -0.29,461 -1.096,462 1.313,463 -0.62,464 -1.577,465 -1.868,467 -4.331,468 -1.485,469 9.433,470 0.496,471 0.418,472 0.022,473 19.75,474 1.039,475 8,476 0.421,477 11.75,478 0.618,479 17.918,480 0.943,481 21.167,482 0.543,483 11.771,484 0.62,485 3.807,486 0.2,487 5.361,488 0.282,489 0.212,491 0.307,496 0.842,497 1.349,498 0.828,499 1.047,500 1.002,501 1.059,502 0.935,503 1.263,504 0.943,505 1.072,506 0.699,507 0.899,508 1.393,509 0.974,510 0.939,511 0.847,512 1.035,513 0.876,514 1.096,515 1.161,516 1.121,517 1.145,518 1.037,519 1.187,520 1.05,521 1.073,522 1.211,523 1.172,524 1.112,525 1.104,526 1.085,527 0.99,528 1.105,529 1.048,530 1.451,531 1.052,532 0.94,533 0.794,534 1.198,535 1.005,536 0.814,537 0.8,538 1.457,539 1.22,540 1.22,541 1.175,542 1.325,543 1.261,544 3.5,545 0.017,546 2.444,547 1.764,548 1.117,549 0.65,550 0.268,551 0.206,552 0.138,553 0.08,554 2947,555 6891,556 1.965,557 51.3,559 10,562 1,563 6,564 3,567 1.602,568 1.81,569 3.119,570 -0.249,572 1,574 1,575 58.389,576 1.497,577 3.424,578 4.509,579 4.561,580 4.715,581 4.715,582 2.695,583 3.932,584 4.21,585 3.225,586 551.498,587 7.173,588 5365.47,589 1,590 1,591 1,592 1,593 206.131,594 1.509,595 4.159,596 0.175,597 0.004,598 0.091,599 0.063,600 0.045,601 0.031,602 0.019,603 0.017,604 0.014,605 0.011,606 0.47,607 0.5,608 1,609 1.381,610 82.47,611 0.162,612 -0.117,613 0.084,614 -0.013,615 -0.022,616 -0.021,617 0.191,618 -0.148,619 0.147,620 -0.005,621 0.141,622 0.103,623 -0.112,624 0.139,625 0.029,626 0.108,627 -0.06,628 0.081,629 -0.1,630 -0.087,631 -0.141,632 -0.132,633 -0.082,634 -0.191,635 -0.046,636 -0.063,637 -0.107,638 -0.111,639 -0.048,640 -0.115,641 -0.123,642 -0.067,643 -0.089,644 -0.066,645 -0.236,646 -0.088,647 0.066,648 0.104,649 0.017,650 0.081,651 0.171,652 0.173,653 -0.31,654 -0.138,655 -0.27,656 -0.214,657 -0.191,658 -0.298,659 0.758,660 1.357,661 0.579,662 15.036,663 0.989,664 1.134,665 2.452,666 6.015,667 0.661,668 3.045,669 3.332,670 3.611,671 3.85,672 3.97,673 3.951,674 4.025,675 4.007,676 3.932,677 3.761,678 5.067,679 0.602,680 276.45,681 3.045,682 4.554,683 5.398,684 6.271,685 7.141,686 8.024,687 8.904,688 9.792,689 10.677,690 11.567,691 10.3,693 1,699 1,700 2,709 1,714 3,715 1,716 5,719 1,738 39,739 8,741 20,743 40,744 14,745 4,748 2,752 2,753 2,759 3,768 8,769 6,772 3,773 1,780 1,781 2,782 2,785 1,786 1,789 20,790 3,791 1,792 5,793 1,797 4,803 1,818 1,822 1,823 1,843 1,845 1,849 1,855 2,856 1,857 1,859 3,862 19,869 3,871 1,873 1,893 10.5,894 7.933,895 4.444,896 2.403,898 1.734,899 1.28,900 0.948,901 4.751,902 7.93,903 3.277,904 3.812,905 4.349,906 4.887,907 5.233,908 5.437,909 5.725,910 5.958,911 6.109,912 6.095,913 1,914 28,915 6.986,917 2.758,918 7.509,919 13.668,921 10.668,924 2.009,925 38.167,926 0.002,929 223.651,930 110.675,931 53.236,935 32.22,936 78.455,937 223.651,938 53.236,939 26.476,940 20.878,941 36.963,942 2.757,943 38.411,944 6.207,945 255.87,947 223.651,948 131.691,950 32.22,952 188.338,953 35.313,956 84.823,957 37.392,958 9.476,959 32.22,960 223.651,961 53.236,962 110.675,965 223.651,966 49.48,967 47.327,968 18.011,969 49.093,970 223.651,971 53.236,972 110.675,973 0.561,974 0.342,975 0.194,976 0.103,977 12,978 6,979 0.125,980 5,982 1,983 3.08,984 132.821,986 11,987 80.711,989 1,993 14.257,994 6.331,995 3.057,997 51.337,998 2.186,1003 3.673,1004 2.249,1005 18.011,1006 387.561,1007 25.5,1008 3.805,1015 1.919,1016 8.587,1017 1.959,1020 38.552,1021 44.235,1022 0.283,1023 0.648,1024 0.853,1025 0.863,1026 0.892,1027 0.892,1028 4.503,1029 0.931,1030 5.38,1031 2.046,1032 4.007,1033 4.494,1034 3.493,1035 6.205,1036 3.871,1037 5.703,1038 0.126,1039 6.952,1040 1.731,1041 3.611,1042 4.369,1043 1.998,1044 7.163,1045 3.433,1046 7.017,1047 -0.179,1048 8.63,1049 0.23,1050 5.602,1051 6.662,1052 6.006,1053 10.279,1054 5.347,1055 8.372,1056 -0.703,1057 10.37,1058 -0.325,1059 6.066,1060 7.407,1061 4.939,1062 12.085,1063 5.787,1064 9.763,1065 -0.818,1066 12.149,1067 -1.378,1068 7.526,1069 9.177,1070 8.649,1071 14.723,1072 7.184,1073 11.18,1074 -1,1075 13.955,1076 -1.472,1077 8.376,1078 10.31,1079 7.909,1080 16.869,1081 8.018,1082 12.616,1083 -1,1084 15.781,1085 -2.302,1086 9.634,1087 11.882,1088 11.302,1089 19.35,1090 9.227,1091 3.206,1092 -1.577,1093 17.622,1094 -3,1095 10.656,1096 13.191,1097 10.81,1098 21.639,1099 10.231,1100 2.639,1101 11.004,1102 19.474,1103 -4.331,1104 11.841,1105 14.686,1106 13.957,1107 24.065,1108 11.376,1109 2.306,1110 8.242,1111 21.337,1112 4.288,1113 12.938,1114 16.074,1115 13.663,1116 26.415,1117 12.449,1118 1.709,1119 6.872,1120 23.207,1121 3.353,1122 14.1,1123 17.541,1124 16.614,1125 28.821,1126 13.576,1127 1.526,1128 4.872,1129 25.083,1130 2.871,1131 15.231,1132 18.965,1133 16.482,1134 31.197,1135 14.678,1136 1.126,1137 4.097,1138 26.965,1139 2.191,1140 16.387,1141 20.422,1142 19.272,1143 33.598,1144 15.8,1145 1,1146 2.275,1147 28.852,1148 1.928,1149 17.534,1150 21.863,1151 19.278,1152 35.986,1153 16.915,1154 3091,1155 4841,1156 12.83,1157 25.762,1158 29.838,1159 31.981,1160 31.366,1161 29.175,1162 29.14,1163 36.746,1164 11.793,1165 82.735,1166 27.128,1167 5.484,1168 6.403,1169 6.54,1170 5.324,1171 5.206,1172 7.086,1173 7.524,1174 18.307,1175 4.98,1176 10.58,1177 1.492,1178 1.599,1179 1.568,1180 1.459,1181 1.457,1182 1.837,1183 0.59,1184 4.137,1185 1.356,1186 4.046,1187 4.09,1188 4.066,1189 3.932,1190 4.958,1191 3.94,1192 3.7,1193 3.765,1194 3.876,1195 3.569,1196 4.763,1197 3.534,1198 3.51,1199 3.581,1200 3.356,1201 3.377,1202 4.592,1203 3.36,1204 3.413,1205 3.485,1206 3.281,1207 3.264,1208 4.213,1209 3.238,1210 3.193,1211 3.289,1212 3.003,1213 3.03,1214 3.869,1215 2.998,1216 2.956,1217 3.051,1218 2.884,1219 2.776,1220 3.749,1221 2.756,1222 2.814,1223 2.937,1224 2.743,1225 2.571,1226 3.476,1227 2.541,1228 2.725,1229 2.826,1230 2.489,1231 2.506,1232 3.446,1233 2.481,1234 0.229,1235 0.226,1236 0.338,1237 0.208,1238 0.16,1239 4.571,1240 0.214,1241 4.529,1242 0.192,1243 6.77,1244 0.55,1245 4.167,1246 0.154,1247 3.206,1248 4.288,1249 3.83,1250 11.004,1251 3.083,1252 1.761,1253 1.721,1254 1.918,1255 1.938,1256 1.09,1257 1.935,1258 1.712,1259 1.661,1260 1.854,1261 1.878,1262 1.03,1263 1.882,1264 1.549,1265 1.476,1266 1.812,1267 1.752,1268 0.98,1269 1.777,1270 1.42,1271 1.356,1272 1.692,1273 1.593,1274 0.769,1275 1.632,1276 1.34,1277 1.278,1278 1.557,1279 1.531,1280 0.704,1281 1.568,1282 0.939,1283 0.85,1284 1.235,1285 1.206,1286 0.343,1287 1.228,1288 0.815,1289 0.698,1290 1.218,1291 1.119,1292 0.24,1293 1.166,1294 0.79,1295 0.683,1296 1.163,1297 1.05,1298 0.173,1299 1.106,1300 3.714,1302 5.004,1303 2.398,1304 6.5,1305 4.844,1306 8.09,1307 7.002,1308 9.729,1310 6.303,1315 2.582,1317 3.195,1319 1.707,1326 23.487,1327 58.389,1328 133.527,1329 175.866,1330 177.866,1331 183.866,1332 183.866,1333 24.644,1334 6.196,1335 41.68,1336 66.98,1337 11,1338 12.097,1339 3.17,1340 2.7,1341 33.722,1342 56,1343 67,1344 0.306,1345 153.948,1346 264.45,1347 367.392,1348 3051,1350 13.828,1351 0.728,1352 0.661,1353 14.182,1354 12.55,1355 9.168,1356 0.458,1357 0.372,1358 6.474,1359 8.409,1360 6.076,1361 5.15,1362 9.622,1363 7.447,1364 7.758,1365 0.287,1366 0.201,1367 8.335,1368 5.419,1369 6.541,1370 0.182,1371 0.112,1372 7.218,1373 4.049,1374 5.47,1375 0.119,1376 0.065,1377 6.18,1378 3.004,1379 4.097,1380 0.079,1381 0.038,1382 4.777,1383 1.97,1384 0.47,1385 61.45,1386 0.279,1387 18.998,1388 0.864,1389 94,1390 240.129,1391 125.36,1392 258.656,1393 361.36,1394 244,1395 110,1396 262.73,1397 137.367,1398 278.905,1399 405.46,1400 261,1401 6.796}
{0 CHEMBL1574201,1 1.644,2 11.429,3 2.253,4 5.077,5 110.988,6 7.374,7 0.333,8 4.094,9 4.211,10 3.68,11 3.597,12 5.153,13 3.555,14 4.664,15 4.858,16 4.074,17 3.991,18 5.706,19 3.925,20 4.884,21 5.087,22 4.179,23 4.165,24 5.889,25 4.074,26 4.987,27 5.191,28 4.261,29 4.22,30 6.056,31 4.108,32 5.006,33 5.241,34 4.08,35 4.148,36 6.025,37 4.038,38 4.901,39 5.089,40 4.091,41 4.099,42 6.186,43 4.001,44 4.898,45 5.109,46 3.888,47 4.052,48 6.013,49 3.908,50 4.804,51 5.042,52 3.64,53 3.883,54 5.795,55 3.73,56 0.055,57 0.802,58 12.702,59 5.38,60 8.991,61 6.907,62 0.417,63 1.295,64 25.981,65 8.463,66 33.326,67 11.547,68 0.452,69 1.531,70 34.174,71 11.331,72 41.204,73 14.585,74 0.5,75 1.613,76 40.105,77 13.613,78 51.594,79 17.326,80 0.527,81 1.582,82 42.001,83 12.874,84 57.795,85 16.943,86 0.749,87 1.45,88 34.098,89 11.494,90 111.067,91 14.81,92 0.656,93 1.418,94 38.655,95 12.204,96 85.454,97 15.139,98 0.56,99 1.239,100 33.561,101 10.268,102 64.439,103 13.795,104 51,105 42,106 0.274,107 0.583,108 0.759,109 0.817,110 0.842,111 0.842,112 3.375,113 1.043,114 -2.86,115 -2.87,116 -2.77,120 36.4,121 3,126 7,143 2,144 3,145 1,153 1,154 1,159 2,174 4,176 1,177 6,180 1,182 4,185 5,188 1,189 3,194 4,197 4,201 8,204 3,206 3,209 5,214 7,218 1,219 2,222 2,226 2,227 7,230 2,232 1,235 3,240 3,243 3,245 1,247 4,251 2,252 3,257 1,260 3,263 1,264 2,269 1,271 1,274 1234,275 18.74,276 18.74,277 18.74,278 18.74,279 18.74,280 17.238,281 26.089,282 11.028,283 19.4,284 14.692,285 14.692,286 14.692,287 14.692,288 14.692,289 12.275,290 33.839,291 5.069,292 15.647,293 4.138,294 2.285,295 1.227,296 0.878,297 0.732,298 0.732,299 4.053,306 1,307 1,308 665,309 3.873,312 65.565,313 170.192,316 118.928,320 1.857,321 35.202,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 61.5,333 320,334 4.75,335 3.737,336 7.001,337 4.281,338 3.327,339 4.713,340 1.907,341 11.933,342 3.174,343 4.148,344 3.52,345 6.342,346 3.799,347 2.836,348 3.66,349 1.674,350 9.479,351 2.728,352 3.667,353 3.279,354 5.608,355 3.533,356 2.606,357 2.839,358 0.916,359 7.517,360 2.408,361 3.606,362 2.986,363 5.389,364 3.261,365 2.282,366 2.826,367 0.8,368 6.78,369 2.229,370 3.478,371 2.741,372 5.238,373 3.17,374 2.239,375 2.588,376 0.172,377 6.387,378 2.076,379 3.18,380 2.479,381 5.066,382 2.92,383 1.984,384 2.441,385 0.149,386 5.929,387 1.84,388 3.152,389 2.002,390 4.686,391 2.662,392 1.716,393 2.23,395 4.692,396 1.591,397 2.986,398 1.865,399 4.438,400 2.583,401 1.631,402 2.059,404 4.356,405 1.529,406 2.271,407 1.804,408 3.805,409 1.996,410 1.084,411 1.225,413 2.363,414 0.972,415 2.022,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.088,426 3.238,427 1.603,428 0.641,429 0.824,431 1.343,432 0.612,433 1.707,434 0.886,435 3.007,436 1.547,437 0.618,438 0.661,440 1.206,441 0.556,442 1.472,443 0.679,444 2.751,445 1.271,446 0.33,447 0.365,449 0.629,450 0.309,451 1.136,452 0.517,453 2.578,454 0.816,455 -0.136,456 -0.156,458 -0.328,459 -0.128,460 0.832,461 0.287,462 2.459,463 0.578,464 -0.372,465 -0.412,467 -0.797,468 -0.346,469 13.367,470 0.477,471 0.733,472 0.026,473 30.25,474 1.08,475 12,476 0.429,477 18.25,478 0.652,479 28.9,480 1.032,481 32.233,482 0.586,483 23.626,484 0.844,485 5.873,486 0.21,487 7.566,488 0.27,489 0.187,491 0.359,496 0.814,497 1.458,498 0.801,499 1.117,500 0.657,501 1.053,502 0.824,503 1.014,504 0.803,505 0.832,506 0.488,507 0.821,508 1.067,509 0.922,510 0.969,511 0.922,512 0.897,513 0.903,514 0.763,515 1.169,516 0.943,517 1.222,518 0.885,519 1.072,520 0.995,521 1.016,522 1.069,523 1.074,524 1.001,525 0.91,526 0.951,527 1.133,528 1.038,529 1.112,530 0.911,531 1.116,532 1.168,533 1.077,534 1.432,535 1.279,536 1.176,537 1.174,538 1.087,539 1.072,540 1.186,541 1.131,542 1.235,543 1.123,544 6,545 0.148,546 3.111,547 2.542,548 2.002,549 1.372,550 0.8,551 0.58,552 0.264,553 0.172,554 8843,555 23375,556 1.993,557 49.1,559 16,562 2,563 3,564 6,567 1.713,568 1.826,569 3.425,570 0.282,571 1,572 1,575 90.399,576 1.644,577 3.497,578 4.554,579 4.904,580 5.049,581 5.049,582 2.968,583 4.352,584 4.77,585 3.6,586 1360.7,587 8.315,588 17703.5,590 1,592 1,593 317.975,594 1.531,595 4.714,596 0.2,597 0.008,598 0.074,599 0.056,600 0.044,601 0.033,602 0.02,603 0.018,604 0.011,605 0.008,606 0.472,607 0.33,608 1,609 1.437,610 139.963,611 -0.06,612 -0.202,613 0.061,614 -0.023,615 -0.053,616 -0.003,617 0.056,618 0.141,619 0.157,620 0.178,621 0.112,622 0.165,623 -0.115,624 0.181,625 0.051,626 0.122,627 -0.046,628 0.09,629 0.136,630 -0.133,631 0.129,632 -0.11,633 0.057,634 -0.039,635 -0.027,636 -0.021,637 0.024,638 -0.013,639 -0.017,640 0.09,641 0.187,642 -0.099,643 -0.052,644 -0.095,645 0.258,646 -0.132,647 -0.062,648 -0.05,649 -0.249,650 -0.148,651 -0.028,652 -0.172,653 -0.067,654 -0.118,655 -0.166,656 -0.128,657 -0.128,658 -0.139,659 2.166,660 5.433,661 0.536,662 29.857,663 1.005,664 1.132,665 1.627,666 2.648,667 0.648,668 3.434,669 3.761,670 4.043,671 4.344,672 4.585,673 4.736,674 4.86,675 4.97,676 4.984,677 5.011,678 6.512,679 0.608,680 405.57,681 3.434,682 4.977,683 5.832,684 6.725,685 7.609,686 8.515,687 9.413,688 10.325,689 11.232,690 12.148,691 5.5,694 2,698 1,708 2,709 2,713 1,714 4,716 10,726 1,734 1,738 55,739 12,740 1,741 30,743 57,744 20,745 8,746 4,747 2,748 1,752 3,753 4,759 3,768 10,769 10,772 2,778 2,782 2,786 1,789 27,790 7,791 2,792 8,793 1,797 3,803 0.667,804 4,822 1,823 2,826 1,838 1,851 2,855 2,857 1,859 3,862 28,868 1,869 7,871 1,872 1,875 2,880 1,886 7.3,888 1,889 2,891 1,893 15.333,894 10.683,895 6.333,896 3.594,898 2.235,899 1.301,900 0.937,901 7.043,902 9.667,903 3.638,904 4.208,905 4.786,906 5.437,907 5.973,908 6.428,909 6.846,910 7.205,911 7.29,912 7.447,913 0.875,914 45,915 10.452,917 4.424,918 7.845,919 19.932,921 16.204,924 2.345,925 65.667,929 294.278,930 116.448,931 24.259,933 103.973,935 31.278,936 85.17,937 398.251,938 24.259,939 26.476,940 35.237,941 18.952,942 104.869,943 27.122,944 0.746,945 325.555,947 294.278,948 109.43,949 103.973,950 31.278,952 223.651,953 174.6,956 68.891,957 40.538,959 31.278,960 294.278,961 128.232,962 116.448,965 294.278,966 71.02,967 51.677,968 18.011,969 103.973,970 294.278,971 128.232,972 116.448,973 0.574,974 0.335,975 0.188,976 0.108,977 19,978 10,979 0.123,980 7,981 1,982 1.133,983 3.818,984 241.442,985 0.133,986 15,987 130.606,989 1,993 21.183,994 9.31,995 4.736,996 1.195,997 128.232,998 3.692,1002 1.204,1003 1.7,1005 60.694,1006 538.958,1007 37,1013 23.992,1017 -0.772,1020 55.294,1021 62.235,1022 0.284,1023 0.605,1024 0.788,1025 0.848,1026 0.873,1027 0.873,1028 4.894,1029 1.631,1030 5.832,1031 4.692,1032 4.443,1033 4.894,1034 2.716,1035 6.676,1036 4.327,1037 6.095,1038 1.084,1039 7.413,1040 4.356,1041 4.111,1042 4.879,1043 1.738,1044 7.662,1045 3.966,1046 7.415,1047 1,1048 9.095,1049 2.363,1050 6.061,1051 7.114,1052 3.566,1053 10.793,1054 5.846,1055 8.772,1056 0.641,1057 10.837,1058 2.275,1059 6.538,1060 7.968,1061 3.069,1062 12.635,1063 6.291,1064 10.167,1065 0.618,1066 12.618,1067 1.343,1068 7.987,1069 9.748,1070 4.622,1071 15.317,1072 7.684,1073 11.588,1074 0.33,1075 14.429,1076 1.206,1077 8.84,1078 10.997,1079 4.417,1080 17.528,1081 8.498,1082 13.033,1083 -0.136,1084 16.262,1085 0.629,1086 10.104,1087 12.622,1088 5.752,1089 20.064,1090 9.715,1091 3.327,1092 -0.372,1093 18.114,1094 -0.328,1095 11.136,1096 14.045,1097 5.751,1098 22.43,1099 10.704,1100 2.836,1101 11.933,1102 19.98,1103 -0.797,1104 12.336,1105 15.616,1106 6.921,1107 24.919,1108 11.859,1109 2.606,1110 9.479,1111 21.858,1112 4.713,1113 13.452,1114 17.111,1115 7.069,1116 27.348,1117 12.93,1118 2.282,1119 7.517,1120 23.747,1121 3.66,1122 14.635,1123 18.665,1124 8.115,1125 29.825,1126 14.068,1127 2.239,1128 6.78,1129 25.644,1130 2.839,1131 15.79,1132 20.19,1133 8.375,1134 32.28,1135 15.177,1136 1.984,1137 6.387,1138 27.548,1139 2.826,1140 16.973,1141 21.739,1142 9.328,1143 34.754,1144 16.314,1145 1.716,1146 5.929,1147 29.459,1148 2.588,1149 18.147,1150 23.278,1151 9.674,1152 37.221,1153 17.442,1154 8871,1155 14654,1156 19.304,1157 35.62,1158 44.815,1159 46.311,1160 47.264,1161 44.574,1162 44.589,1163 54.864,1164 11.238,1165 129.782,1166 41.975,1167 5.75,1168 5.737,1169 6.77,1170 5.419,1171 5.327,1172 7.713,1173 3.581,1174 19.518,1175 5.174,1176 16.96,1177 1.494,1178 1.544,1179 1.575,1180 1.486,1181 1.486,1182 1.829,1183 0.375,1184 4.326,1185 1.399,1186 4.113,1187 4.117,1188 4.351,1189 4.12,1190 7.434,1191 4.078,1192 3.846,1193 3.917,1194 3.755,1195 3.657,1196 7.428,1197 3.662,1198 3.629,1199 3.667,1200 3.57,1201 3.468,1202 6.468,1203 3.472,1204 3.537,1205 3.583,1206 3.45,1207 3.295,1208 4.751,1209 3.309,1210 3.444,1211 3.522,1212 3.386,1213 3.254,1214 4.447,1215 3.247,1216 3.326,1217 3.382,1218 3.201,1219 3.175,1220 4.389,1221 3.152,1222 3.111,1223 3.206,1224 3.092,1225 2.946,1226 4.187,1227 2.91,1228 3.051,1229 3.097,1230 2.866,1231 2.941,1232 3.987,1233 2.898,1234 0.158,1235 0.125,1236 0.233,1237 0.143,1238 0.111,1239 4.75,1240 0.157,1241 3.737,1242 0.064,1243 7.001,1244 0.398,1245 4.281,1246 0.106,1247 3.327,1248 4.713,1249 1.907,1250 11.933,1251 3.174,1252 1.95,1253 1.937,1254 2.043,1255 2.06,1256 1.341,1257 2.061,1258 1.774,1259 1.705,1260 1.954,1261 1.958,1262 1.187,1263 1.96,1264 1.605,1265 1.591,1266 1.807,1267 1.81,1268 0.951,1269 1.801,1270 1.477,1271 1.416,1272 1.752,1273 1.74,1274 0.936,1275 1.746,1276 1.433,1277 1.35,1278 1.729,1279 1.661,1280 0.825,1281 1.695,1282 1.323,1283 1.278,1284 1.513,1285 1.495,1286 0.798,1287 1.508,1288 1.153,1289 1.09,1290 1.493,1291 1.376,1292 0.701,1293 1.429,1294 1.128,1295 1.064,1296 1.293,1297 1.299,1298 0.578,1299 1.339,1300 4.111,1302 5.434,1303 2.398,1304 6.952,1305 4.844,1306 8.567,1307 7.066,1308 10.237,1310 5.291,1314 10.87,1315 5.923,1317 2.693,1318 5.151,1321 4.728,1326 33.432,1327 90.399,1328 192.323,1329 250.491,1330 269.71,1331 277.71,1332 277.71,1333 66.464,1334 7.432,1335 82.11,1336 110.35,1337 17,1338 12.661,1339 3.7,1340 3,1341 49.599,1342 108,1343 132,1344 0.23,1345 210.371,1346 366.51,1347 505.066,1348 15386,1350 20.259,1351 0.724,1352 0.621,1353 20.612,1354 17.396,1355 13.439,1356 0.448,1357 0.348,1358 9.524,1359 12.374,1360 9.158,1361 7.577,1362 13.847,1363 10.425,1364 12.024,1365 0.286,1366 0.188,1367 12.639,1368 7.889,1369 9.808,1370 0.175,1371 0.109,1372 10.652,1373 6.118,1374 8.376,1375 0.11,1376 0.062,1377 9.476,1378 4.676,1379 6.627,1380 0.068,1381 0.033,1382 7.563,1383 3.24,1384 0.357,1385 88.99,1386 0.228,1387 26.595,1388 0.643,1389 144,1390 447.84,1391 186.582,1392 441.354,1393 591.32,1394 412,1395 170,1396 405.979,1397 211.13,1398 422.427,1399 625.83,1400 397,1401 4.253}
{0 CHEMBL1575613,1 1.637,2 11.107,3 5.166,4 26.687,5 110.14,6 7.795,7 0.516,8 4.036,9 4.14,10 3.692,11 3.607,12 5.097,13 3.566,14 4.592,15 4.745,16 4.042,17 3.983,18 5.618,19 3.915,20 4.832,21 5.047,22 4.055,23 4.042,24 5.739,25 3.929,26 4.797,27 5.035,28 3.971,29 3.964,30 5.738,31 3.868,32 4.704,33 4.898,34 4.111,35 3.994,36 5.817,37 3.905,38 4.684,39 4.864,40 4.083,41 4.027,42 5.787,43 3.899,44 4.623,45 4.798,46 3.865,47 3.913,48 5.676,49 3.811,50 4.604,51 4.8,52 3.76,53 3.821,54 5.714,55 3.747,56 0.04,57 0.74,58 10.571,59 5.126,60 7.911,61 6.197,62 0.294,63 1.234,64 23.227,65 8.725,66 26.527,67 10.84,68 0.483,69 1.423,70 32.575,71 11.135,72 41.516,73 14.099,74 0.413,75 1.424,76 31.584,77 9.951,78 38.258,79 12.783,80 0.565,81 1.322,82 29.21,83 9.483,84 51.273,85 11.252,86 0.366,87 1.329,88 32.976,89 11.112,90 45.192,91 12.21,92 0.362,93 1.207,94 30.517,95 9.836,96 39.127,97 10.764,98 0.437,99 1.158,100 24.176,101 8.156,102 44.118,103 10.398,104 2,105 41,106 0.274,107 0.569,108 0.718,109 0.81,110 0.837,111 0.837,112 3.375,113 1.027,114 -5.71,115 -5.58,116 -5.2,120 41.2,122 5,126 2,128 1,143 7,144 1,152 1,153 1,159 1,162 1,163 1,167 1,174 11,176 3,177 7,185 10,188 2,189 9,197 5,200 1,201 10,209 1,213 4,214 10,222 6,226 2,227 7,235 8,240 10,247 6,251 2,252 13,260 3,264 10,271 3,274 1408,275 19.482,276 19.482,277 19.482,278 19.482,279 19.482,280 17.396,281 13.982,282 11.993,283 19.924,284 15.375,285 15.375,286 15.375,287 15.375,288 15.375,289 12.281,290 17.121,291 5.777,292 16.131,293 4.035,294 2.272,295 1.38,296 0.829,297 0.667,298 0.667,299 4.074,306 1,307 1,308 681,309 3.162,312 164.422,313 196.252,320 1.607,321 24.192,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 60.5,333 311,334 4.511,335 4.491,336 6.715,337 4.084,338 3.159,339 4.211,340 3.42,341 10.934,342 2.939,343 3.92,344 3.699,345 5.755,346 3.569,347 2.63,348 3.466,349 2.218,350 7.806,351 2.511,352 3.82,353 3.104,354 5.484,355 3.525,356 2.54,357 3.344,358 0.522,359 7.387,360 2.454,361 3.739,362 2.698,363 5.321,364 3.346,365 2.401,366 2.899,367 0.277,368 6.873,369 2.248,370 3.316,371 2.685,372 4.832,373 3.112,374 2.123,375 2.357,377 5.517,378 2.076,379 3.048,380 2.512,381 4.585,382 2.588,383 1.672,384 2.225,386 4.518,387 1.513,388 2.933,389 1.975,390 4.034,391 2.503,392 1.516,393 2.106,395 3.443,396 1.497,397 2.557,398 1.601,399 3.586,400 2.389,401 1.409,402 1.581,404 3.023,405 1.374,406 2.5,407 1.588,408 3.561,409 2.086,410 1.134,411 1.5,413 2.786,414 1.075,415 2.438,416 1.226,417 3.326,418 2,419 1,420 1.434,422 2.15,423 1,424 2.343,425 1.033,426 3.247,427 2,428 1,429 1.278,431 2.136,432 1,433 2.118,434 1,435 3.247,436 1.88,437 0.935,438 1,440 2.136,441 0.869,442 2,443 1,444 3.086,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 1.753,452 0.705,453 3,454 1.358,455 0.497,456 0.594,458 1.221,459 0.416,460 1.229,461 0.618,462 2.798,463 0.926,464 -0.025,465 -0.03,467 -0.065,468 -0.024,469 13.533,470 0.483,471 0.465,472 0.017,473 34,474 1.214,475 16,476 0.571,477 18,478 0.643,479 24.86,480 0.888,481 30.267,482 0.593,483 23.187,484 0.828,485 6.291,486 0.225,487 7.502,488 0.268,489 0.025,491 0.251,496 0.725,497 1.209,498 0.73,499 1.034,500 0.538,501 0.967,502 0.801,503 1.235,504 0.997,505 1.208,506 0.569,507 1.084,508 1.017,509 1.089,510 0.872,511 1.002,512 0.936,513 0.982,514 1.129,515 1.014,516 0.946,517 0.865,518 0.958,519 0.833,520 1.219,521 0.886,522 1.034,523 0.851,524 1.546,525 0.809,526 1.131,527 1.112,528 1.57,529 1.347,530 1.525,531 1.026,532 1.58,533 1.136,534 1.674,535 1.336,536 1.578,537 1.058,538 1.029,539 1.111,540 1.079,541 1.09,542 0.928,543 1.072,544 4,545 0.091,546 2.222,547 1.222,548 1.192,549 0.643,550 0.365,551 0.321,552 0.196,553 0.18,554 10417,555 25615,556 2.159,557 45.1,558 6,559 12,560 1,564 4,567 1.714,568 2.1,569 3.425,570 -0.742,575 83.503,576 1.637,577 3.401,578 4.292,579 4.844,580 5.006,581 5.006,582 2.802,583 4.164,584 4.777,585 3.604,586 1362.37,587 8.325,588 18449.1,593 289.294,594 1.018,595 4.772,596 0.129,597 0.004,598 0.054,599 0.033,600 0.032,601 0.016,602 0.01,603 0.009,604 0.006,605 0.007,606 0.301,607 0.17,608 0.88,609 0.343,610 141.202,611 0.04,612 -0.08,613 0.084,614 -0.031,615 0.055,616 -0.006,617 0.148,618 -0.157,619 -0.01,620 -0.17,621 0.122,622 -0.118,623 0.053,624 -0.129,625 0.129,626 -0.013,627 -0.028,628 -0.001,629 -0.065,630 0.015,631 0.081,632 0.085,633 -0.012,634 0.114,635 0.04,636 0.195,637 0.119,638 0.202,639 -0.013,640 0.133,641 -0.025,642 -0.001,643 -0.087,644 -0.039,645 -0.022,646 -0.015,647 -0.279,648 -0.061,649 -0.314,650 -0.12,651 -0.214,652 -0.078,653 0.101,654 -0.081,655 -0.161,656 -0.169,657 0.139,658 -0.141,659 1.856,660 5.271,661 0.786,662 27.459,663 1.004,664 1.121,665 4.482,666 20.09,667 0.679,668 3.466,669 3.738,670 3.989,671 4.248,672 4.382,673 4.431,674 4.543,675 4.654,676 4.691,677 4.7,678 6.709,679 0.64,680 397.54,681 3.466,682 4.977,683 5.808,684 6.663,685 7.514,686 8.379,687 9.239,688 10.111,689 10.978,690 11.854,691 5.9,699 1,701 2,709 8,710 2,712 1,714 4,715 1,716 16,738 51,739 17,740 1,741 31,743 54,744 21,745 12,746 1,747 5,752 4,753 4,763 6,766 6,768 13,769 8,772 1,778 1,782 1,788 1,789 23,790 5,792 7,793 1,797 3,803 1,804 3,822 2,823 2,841 1,855 4,856 1,857 1,862 28,869 7,872 1,873 1,874 1,883 1,886 5.9,889 1,891 2,893 13.333,894 9.017,895 6.25,896 3.264,898 2.451,899 1.337,900 0.98,901 6.502,902 9.713,903 3.714,904 4.234,905 4.749,906 5.296,907 5.611,908 5.895,909 6.27,910 6.635,911 6.912,912 7.077,913 1,914 37,915 10.387,917 4.387,918 7.643,919 20.159,921 16.626,924 2.143,925 60,928 1,929 270.735,930 144.818,931 35.225,933 45.652,935 32.22,936 112.598,937 316.388,938 35.225,940 15.678,941 78.073,942 67.99,943 26.285,944 17.22,945 291.184,947 270.735,948 147.823,949 45.652,950 32.22,952 223.651,953 92.737,956 20.598,957 93.899,958 33.326,959 32.22,960 270.735,961 80.877,962 144.818,965 270.735,966 66.744,967 79.972,969 78.978,970 270.735,971 80.877,972 144.818,973 0.564,974 0.322,975 0.181,976 0.093,977 19,978 7,979 0.148,980 8,982 1,983 4.131,984 237.095,986 22,987 124.606,989 1,993 19.285,994 9.441,995 5.076,997 78.978,998 15.393,999 8.59,1001 5.513,1003 3.106,1004 1.979,1006 496.43,1007 40,1013 12.271,1017 -0.189,1020 51.2,1021 57.195,1022 0.289,1023 0.599,1024 0.757,1025 0.854,1026 0.882,1027 0.882,1028 4.92,1029 1.409,1030 5.746,1031 3.443,1032 4.419,1033 4.92,1034 3.497,1035 6.497,1036 4.323,1037 6.073,1038 1.134,1039 7.255,1040 3.023,1041 3.761,1042 4.46,1043 2.243,1044 7.273,1045 3.589,1046 7.34,1047 1,1048 8.868,1049 2.786,1050 5.938,1051 6.995,1052 5.683,1053 10.402,1054 5.73,1055 8.644,1056 1,1057 10.549,1058 2.15,1059 6.196,1060 7.488,1061 4.601,1062 12.123,1063 5.89,1064 9.988,1065 0.935,1066 12.277,1067 2.136,1068 7.75,1069 9.388,1070 8.04,1071 14.741,1072 7.417,1073 11.358,1074 0.618,1075 14.039,1076 2.136,1077 8.447,1078 10.339,1079 7.073,1080 16.852,1081 8.006,1082 12.75,1083 0.497,1084 15.827,1085 1.372,1086 9.743,1087 11.972,1088 10.446,1089 19.313,1090 9.268,1091 3.159,1092 -0.025,1093 17.635,1094 1.221,1095 10.661,1096 13.155,1097 9.629,1098 21.588,1099 10.079,1100 2.63,1101 10.934,1102 19.459,1103 -0.065,1104 11.85,1105 14.67,1106 12.87,1107 24,1108 11.221,1109 2.54,1110 7.806,1111 21.297,1112 4.211,1113 12.879,1114 15.972,1115 12.213,1116 26.342,1117 12.15,1118 2.401,1119 7.387,1120 23.145,1121 3.466,1122 14.028,1123 17.437,1124 15.301,1125 28.74,1126 13.242,1127 2.123,1128 6.873,1129 25.002,1130 3.344,1131 15.113,1132 18.802,1133 14.795,1134 31.11,1135 14.234,1136 1.672,1137 5.517,1138 26.867,1139 2.899,1140 16.251,1141 20.245,1142 17.735,1143 33.503,1144 15.305,1145 1.516,1146 4.518,1147 28.738,1148 2.357,1149 17.364,1150 21.642,1151 17.364,1152 35.886,1153 16.332,1154 9782,1155 15572,1156 21.553,1157 34.642,1158 45.866,1159 48.492,1160 45.799,1161 45.29,1162 45.27,1163 57.842,1164 12.873,1165 122.603,1166 43.18,1167 5.511,1168 6.491,1169 6.517,1170 5.244,1171 5.159,1172 7.211,1173 6.747,1174 18.073,1175 4.939,1176 6.682,1177 1.48,1178 1.564,1179 1.477,1180 1.461,1181 1.46,1182 1.866,1183 0.415,1184 3.955,1185 1.393,1186 4.041,1187 4.08,1188 4.103,1189 3.904,1190 7.432,1191 3.91,1192 3.869,1193 3.915,1194 3.806,1195 3.766,1196 5.167,1197 3.774,1198 3.865,1199 3.892,1200 3.799,1201 3.734,1202 4.913,1203 3.726,1204 3.678,1205 3.713,1206 3.716,1207 3.541,1208 4.738,1209 3.522,1210 3.478,1211 3.492,1212 3.46,1213 3.267,1214 4.482,1215 3.282,1216 3.111,1217 3.206,1218 3.09,1219 2.941,1220 4.011,1221 2.916,1222 3.091,1223 3.163,1224 2.903,1225 2.941,1226 3.847,1227 2.91,1228 3.039,1229 3.114,1230 2.866,1231 2.877,1232 3.674,1233 2.869,1234 0.146,1235 0.145,1236 0.217,1237 0.132,1238 0.102,1239 4.511,1240 0.136,1241 4.491,1242 0.11,1243 6.715,1244 0.353,1245 4.084,1246 0.095,1247 3.159,1248 4.211,1249 3.42,1250 10.934,1251 2.939,1252 1.919,1253 1.889,1254 2.083,1255 2.018,1256 1.464,1257 2.04,1258 1.857,1259 1.806,1260 2.044,1261 2.013,1262 1.182,1263 2.026,1264 1.601,1265 1.569,1266 1.7,1267 1.77,1268 0.884,1269 1.752,1270 1.464,1271 1.442,1272 1.597,1273 1.647,1274 0.825,1275 1.639,1276 1.379,1277 1.352,1278 1.546,1279 1.586,1280 0.8,1281 1.586,1282 1.22,1283 1.186,1284 1.513,1285 1.496,1286 0.75,1287 1.459,1288 1.153,1289 1.064,1290 1.417,1291 1.376,1292 0.67,1293 1.429,1294 1.101,1295 1.033,1296 1.367,1297 1.315,1298 0.374,1299 1.357,1300 4.143,1302 5.425,1303 3.045,1304 6.889,1305 5.283,1306 8.434,1307 7.286,1308 10.026,1315 6.297,1318 5.615,1319 1.354,1320 0.072,1326 32.664,1327 83.503,1328 173.429,1329 218.913,1330 247.029,1331 255.294,1332 255.294,1333 45.031,1334 7.263,1335 70.15,1336 95.45,1337 22,1338 12.395,1339 4.17,1340 3.322,1341 42.276,1342 108,1343 121,1344 0.181,1345 202.719,1346 346.48,1347 486.395,1348 13653,1350 19.184,1351 0.685,1352 0.587,1353 19.537,1354 16.437,1355 13.793,1356 0.445,1357 0.342,1358 9.586,1359 12.825,1360 9.337,1361 7.721,1362 14.247,1363 10.612,1364 11.872,1365 0.29,1366 0.191,1367 12.423,1368 7.836,1369 9.853,1370 0.186,1371 0.109,1372 10.621,1373 5.752,1374 8.297,1375 0.12,1376 0.06,1377 8.979,1378 4.139,1379 6.182,1380 0.078,1381 0.036,1382 6.949,1383 2.883,1384 0.284,1385 91.046,1386 0.215,1387 26.922,1388 0.497,1389 144,1390 437.002,1391 183.77,1392 433.058,1393 592.04,1394 408,1395 166,1396 425.404,1397 204.311,1398 434.711,1399 636.36,1400 409,1401 4.446}
{0 CHEMBL1575720,1 1.62,2 11,3 2.198,4 4.831,5 92.44,6 7.565,7 0.407,8 3.907,9 4.025,10 3.487,11 3.395,12 5.054,13 3.393,14 4.447,15 4.626,16 3.872,17 3.767,18 5.581,19 3.758,20 4.668,21 4.847,22 3.913,23 3.9,24 5.834,25 3.864,26 4.847,27 5.105,28 3.85,29 3.853,30 5.995,31 3.797,32 4.555,33 4.754,34 3.665,35 3.687,36 5.868,37 3.631,38 4.431,39 4.642,40 3.539,41 3.537,42 5.628,43 3.489,44 4.417,45 4.645,46 3.383,47 3.379,48 5.683,49 3.35,50 4.05,51 4.23,52 3.256,53 3.375,54 5.131,55 3.301,56 0.063,57 0.677,58 8.875,59 3.919,60 7.404,61 5.116,62 0.387,63 1.062,64 17.766,65 6.069,66 33.026,67 8.431,68 0.399,69 1.267,70 22.18,71 7.388,72 34.758,73 10.205,74 0.734,75 1.288,76 31.216,77 8.624,78 86.111,79 12.607,80 0.605,81 1.009,82 21.311,83 6.694,84 81.293,85 9.219,86 0.241,87 0.886,88 18.709,89 6.172,90 35.854,91 8.55,92 0.739,93 0.79,94 20.716,95 4.819,96 86.066,97 6.593,98 0.103,99 0.679,100 11.558,101 4.754,102 19.276,103 6.443,104 27,105 39,106 0.28,107 0.617,108 0.734,109 0.764,110 0.774,111 0.774,112 3.266,113 0.888,114 -4.14,115 -4.08,116 -3.86,120 40,121 3,126 2,131 1,143 5,144 2,146 1,154 1,159 3,167 1,174 6,176 4,177 9,185 9,188 3,189 5,197 3,200 5,201 6,209 3,213 4,214 6,227 10,239 4,240 5,247 1,252 5,260 2,264 12,271 2,274 913,275 16.317,276 16.317,277 16.317,278 16.317,279 16.317,280 14.63,281 21.664,282 9.503,283 16.647,284 13.317,285 13.317,286 13.317,287 13.317,288 13.317,289 10.613,290 27.424,291 4.52,292 13.823,293 3.872,294 1.914,295 1.237,296 1.068,297 1.006,298 1.006,299 3.942,305 1,306 1,307 1,308 584,309 3.873,312 60.462,313 156.996,316 106.779,320 1.76,321 29.607,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 55,333 275,334 4.671,335 3.821,336 7.305,337 4.396,338 3.438,339 4.281,340 2.484,341 12.546,342 3.292,343 4.18,344 3.65,345 6.58,346 3.981,347 3.006,348 3.448,349 1.266,350 10.24,351 2.928,352 3.91,353 3.461,354 5.775,355 3.543,356 2.567,357 3.369,358 0.841,359 7.778,360 2.507,361 3.693,362 2.764,363 5.36,364 3.392,365 2.421,366 2.878,367 0.78,368 7.004,369 2.336,370 3.412,371 2.611,372 5.07,373 3.061,374 2.087,375 2.554,376 0.263,377 5.911,378 2.01,379 3.146,380 2.374,381 4.737,382 2.641,383 1.696,384 2.251,386 4.843,387 1.592,388 2.913,389 1.746,390 4.176,391 2.476,392 1.482,393 2.076,395 3.365,396 1.469,397 2.583,398 1.567,399 3.646,400 2.173,401 1.219,402 1.605,404 3.123,405 1.158,406 2.5,407 1.258,408 3.571,409 2,410 1,411 1.5,413 2.136,414 1,415 2.316,416 1.236,417 3.247,418 1.752,419 0.767,420 1.126,422 2.001,423 0.746,424 1.905,425 1,426 3.158,427 1.516,428 0.609,429 0.711,431 1.426,432 0.545,433 1.733,434 0.926,435 2.796,436 1.183,437 0.193,438 0.277,440 0.457,441 0.188,442 0.809,443 0.472,444 2.765,445 0.469,446 -0.501,447 -0.583,449 -1.259,450 -0.477,451 0.755,452 -0.021,453 2.32,454 0.379,455 -0.622,456 -0.788,458 -1.459,459 -0.608,460 0.5,461 -0.416,462 2.179,463 0.087,464 -0.895,465 -1,467 -2.347,468 -0.873,469 11.6,470 0.464,471 0.813,472 0.033,473 31.5,474 1.26,475 15,476 0.6,477 16.5,478 0.66,479 20.522,480 0.821,481 27.4,482 0.609,483 23.622,484 0.945,485 6.28,486 0.251,487 5.579,488 0.223,489 0.187,490 0.043,491 0.284,496 0.674,497 1.467,498 0.738,499 1.239,500 0.566,501 1.04,502 0.756,503 1.083,504 0.734,505 0.884,506 0.556,507 0.81,508 1.045,509 1.332,510 1.12,511 1.254,512 0.938,513 1.204,514 1.12,515 0.728,516 0.879,517 0.726,518 1.167,519 0.744,520 1.049,521 1.006,522 1.135,523 1.099,524 0.903,525 1.12,526 1.133,527 1.317,528 0.984,529 1.28,530 1.226,531 1.133,532 1.957,533 0.516,534 1.285,535 0.506,536 2.499,537 0.723,538 0.725,539 1.338,540 1.024,541 1.369,542 0.8,543 1.278,544 6,545 0.102,546 3.333,547 1.938,548 1.851,549 0.768,550 0.507,551 0.321,552 0.253,553 0.141,554 7314,555 19674,556 2.005,557 44.4,559 9,561 2,564 9,567 1.676,568 1.84,569 3.398,570 -0.711,571 1,572 1,574 1,575 72.881,576 1.62,577 3.578,578 4.255,579 4.424,580 4.486,581 4.486,582 2.903,583 3.943,584 4.613,585 3.598,586 1079.29,587 7.956,588 13279.2,590 1,592 1,593 247.133,594 1.673,595 4.546,596 0.222,597 0.007,598 0.085,599 0.051,600 0.053,601 0.027,602 0.02,603 0.015,604 0.013,605 0.007,606 0.501,607 0.33,608 1,609 0.836,610 121.83,611 0.025,612 -0.243,613 0.069,614 -0.149,615 -0.044,616 -0.057,617 0.159,618 0.042,619 0.181,620 0.11,621 0.088,622 0.141,623 -0.056,624 -0.226,625 -0.198,626 -0.277,627 -0.071,628 -0.27,629 0.023,630 0.197,631 0.171,632 0.185,633 0.003,634 0.206,635 0.138,636 0.001,637 -0.151,638 -0.137,639 0.206,640 -0.182,641 -0.068,642 -0.357,643 -0.004,644 -0.295,645 0.003,646 -0.159,647 -0.243,648 0.416,649 -0.174,650 0.347,651 -0.335,652 0.137,653 -0.037,654 -0.28,655 -0.152,656 -0.297,657 -0.032,658 -0.256,659 2.157,660 5.54,661 0.6,662 24.064,663 1.01,664 1.132,665 2.91,666 8.469,667 0.655,668 3.332,669 3.689,670 3.912,671 4.159,672 4.331,673 4.382,674 4.466,675 4.533,676 4.431,677 4.357,678 6.516,679 0.632,680 340.42,681 3.332,682 4.89,683 5.733,684 6.627,685 7.493,686 8.391,687 9.269,688 10.172,689 11.059,690 11.964,691 8.9,698 1,699 1,700 1,701 1,709 6,710 1,714 3,715 1,716 11,724 1,738 45,739 14,740 1,741 27,743 47,744 18,745 9,746 1,747 5,748 2,752 3,753 4,759 3,768 12,769 6,770 1,772 3,778 2,780 1,781 1,782 2,785 1,786 1,789 20,790 6,792 7,797 4,799 1,803 0.667,804 3,814 1,822 1,823 2,826 1,841 1,855 2,859 3,862 25,869 2,872 1,875 1,876 1,886 6.7,889 2,891 1,893 13.583,894 9.133,895 5.361,896 2.568,898 2.326,899 1.33,900 0.933,901 4.732,902 9.381,903 3.597,904 4.155,905 4.674,906 5.201,907 5.599,908 5.764,909 5.944,910 6.218,911 6.229,912 6.18,913 1,914 38,915 9.269,917 3.946,918 7.903,919 17.331,921 13.919,924 2.403,925 60.083,929 235.422,930 118.816,931 38.349,933 61.29,936 118.816,937 296.712,938 38.349,939 26.476,940 9.822,941 47.381,942 111.01,943 47.308,945 211.88,947 235.422,948 157.165,949 61.29,952 129.482,953 167.23,956 66.235,957 74.267,958 16.663,960 235.422,961 99.639,962 118.816,965 235.422,966 27.293,967 96.424,969 94.738,970 235.422,971 99.639,972 118.816,973 0.594,974 0.332,975 0.172,976 0.093,977 19,978 9,979 0.128,980 6,981 1,982 1.133,983 3.676,984 201.424,985 0.133,986 15,987 107.342,993 17.371,994 6.81,995 3.799,997 97.863,998 10.865,999 4.248,1003 1.78,1004 1.696,1006 453.877,1007 35.5,1013 24.548,1015 1.359,1016 4.295,1017 -0.799,1020 45.458,1021 50.943,1022 0.295,1023 0.652,1024 0.775,1025 0.806,1026 0.817,1027 0.817,1028 4.858,1029 1.219,1030 5.771,1031 3.365,1032 4.369,1033 4.84,1034 2.838,1035 6.637,1036 4.297,1037 6.083,1038 1,1039 7.376,1040 3.123,1041 4.205,1042 4.691,1043 2.283,1044 7.858,1045 4.12,1046 7.405,1047 0.767,1048 9.096,1049 2.136,1050 6.066,1051 6.971,1052 4.042,1053 10.901,1054 5.918,1055 8.764,1056 0.609,1057 10.887,1058 2.001,1059 6.698,1060 7.627,1061 4.339,1062 12.928,1063 6.53,1064 10.157,1065 0.193,1066 12.723,1067 1.426,1068 8.109,1069 9.416,1070 5.627,1071 15.593,1072 7.886,1073 11.573,1074 -0.501,1075 14.592,1076 0.457,1077 9.074,1078 10.458,1079 6.266,1080 17.915,1081 8.82,1082 13.01,1083 -0.622,1084 16.484,1085 -1.259,1086 10.338,1087 12.048,1088 7.354,1089 20.474,1090 10.035,1091 3.438,1092 -0.895,1093 18.393,1094 -1.459,1095 11.444,1096 13.288,1097 8.137,1098 22.911,1099 11.103,1100 3.006,1101 12.546,1102 20.316,1103 -2.347,1104 12.664,1105 14.792,1106 9.134,1107 25.439,1108 12.277,1109 2.567,1110 10.24,1111 22.249,1112 4.281,1113 13.832,1114 16.133,1115 9.981,1116 27.924,1117 13.402,1118 2.421,1119 7.778,1120 24.191,1121 3.448,1122 15.043,1123 17.602,1124 10.935,1125 30.445,1126 14.568,1127 2.087,1128 7.004,1129 26.14,1130 3.369,1131 16.239,1132 18.996,1133 11.813,1134 32.95,1135 15.719,1136 1.696,1137 5.911,1138 28.095,1139 2.878,1140 17.452,1141 20.452,1142 12.745,1143 35.471,1144 16.887,1145 1.482,1146 4.843,1147 30.054,1148 2.554,1149 18.662,1150 21.873,1151 13.639,1152 37.987,1153 18.051,1154 7151,1155 11899,1156 17.394,1157 29.478,1158 42.371,1159 43.393,1160 41.695,1161 40.936,1162 40.968,1163 52.148,1164 11.266,1165 121.659,1166 39.543,1167 5.605,1168 5.821,1169 7.107,1170 5.477,1171 5.438,1172 7.281,1173 4.26,1174 20.437,1175 5.292,1176 14.031,1177 1.569,1178 1.607,1179 1.544,1180 1.516,1181 1.517,1182 1.931,1183 0.417,1184 4.506,1185 1.465,1186 4.046,1187 4.098,1188 4.017,1189 3.868,1190 7.435,1191 3.892,1192 3.908,1193 3.937,1194 3.835,1195 3.83,1196 7.425,1197 3.832,1198 3.681,1199 3.736,1200 3.594,1201 3.501,1202 4.982,1203 3.507,1204 3.511,1205 3.546,1206 3.41,1207 3.299,1208 4.773,1209 3.326,1210 3.234,1211 3.292,1212 3.137,1213 3.013,1214 4.473,1215 3.024,1216 3.031,1217 3.095,1218 2.92,1219 2.816,1220 4.341,1221 2.841,1222 2.94,1223 3.009,1224 2.894,1225 2.735,1226 4.191,1227 2.715,1228 2.874,1229 3.009,1230 2.687,1231 2.618,1232 3.674,1233 2.691,1234 0.173,1235 0.142,1236 0.271,1237 0.163,1238 0.127,1239 4.671,1240 0.159,1241 3.821,1242 0.092,1243 7.305,1244 0.465,1245 4.396,1246 0.122,1247 3.438,1248 4.281,1249 2.484,1250 12.546,1251 3.292,1252 1.904,1253 1.877,1254 2.033,1255 2.01,1256 1.191,1257 2.01,1258 1.795,1259 1.745,1260 1.982,1261 1.987,1262 1.134,1263 1.985,1264 1.674,1265 1.626,1266 1.792,1267 1.886,1268 0.927,1269 1.867,1270 1.376,1271 1.356,1272 1.537,1273 1.616,1274 0.664,1275 1.582,1276 1.16,1277 1.093,1278 1.417,1279 1.44,1280 0.591,1281 1.413,1282 1.093,1283 1.019,1284 1.417,1285 1.327,1286 0.469,1287 1.345,1288 0.934,1289 0.821,1290 1.405,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.279,1297 1.239,1298 0.218,1299 1.308,1300 4.007,1302 5.352,1303 2.398,1304 6.88,1305 4.727,1306 8.495,1307 6.88,1308 10.158,1310 5.939,1315 -0.013,1318 5.211,1321 1.24,1322 -0.29,1326 28.444,1327 72.881,1328 161.012,1329 191.485,1330 199.094,1331 201.849,1332 201.849,1333 51.856,1334 7.055,1335 79.01,1336 79.01,1337 17,1338 12.486,1339 3.907,1340 3.248,1341 42.037,1342 97,1343 98,1344 0.212,1345 176.999,1346 310.33,1347 423.638,1348 10578,1350 18.027,1351 0.721,1352 0.579,1353 18.027,1354 14.469,1355 11.859,1356 0.439,1357 0.296,1358 7.852,1359 11.281,1360 7.536,1361 6.328,1362 11.859,1363 7.993,1364 11.496,1365 0.295,1366 0.174,1367 11.496,1368 6.788,1369 8.777,1370 0.179,1371 0.076,1372 8.777,1373 3.732,1374 7.224,1375 0.115,1376 0.039,1377 7.224,1378 2.475,1379 5.59,1380 0.075,1381 0.021,1382 5.59,1383 1.556,1384 0.337,1385 75.216,1386 0.24,1387 24.535,1388 0.569,1389 132,1390 427.787,1391 149.129,1392 406.224,1393 547.53,1394 378,1395 154,1396 401.879,1397 172.216,1398 404.749,1399 589.14,1400 376,1401 4.629}
{0 CHEMBL1575978,1 1.469,2 7.926,3 3.925,4 15.402,5 101.056,6 8.168,7 0.6,8 3.901,9 3.983,10 3.553,11 3.499,12 5.108,13 3.498,14 4.397,15 4.518,16 3.919,17 3.873,18 5.575,19 3.866,20 4.621,21 4.742,22 4.154,23 4.085,24 5.849,25 4.083,26 4.755,27 4.873,28 4.233,29 4.128,30 6.164,31 4.135,32 4.858,33 5.01,34 4.212,35 4.163,36 6.205,37 4.147,38 4.821,39 4.979,40 4.081,41 4.072,42 6.16,43 4.043,44 4.717,45 4.876,46 3.791,47 3.93,48 5.915,49 3.872,50 4.583,51 4.78,52 3.427,53 3.762,54 5.616,55 3.636,56 0.041,57 0.543,58 7.108,59 3.997,60 5.842,61 4.485,62 0.302,63 0.892,64 14.338,65 6.522,66 21.155,67 7.316,68 0.236,69 1.128,70 17.379,71 8.192,72 23.348,73 9.316,74 0.41,75 1.273,76 20.503,77 9.052,78 61.796,79 9.854,80 0.664,81 1.415,82 25.228,83 10.245,84 72.446,85 11.681,86 0.582,87 1.319,88 25,89 10.295,90 77.758,91 11.627,92 0.546,93 1.146,94 23.546,95 9.499,96 79.51,97 10.017,98 0.372,99 1.035,100 21.019,101 8.831,102 50.681,103 10.492,104 21,105 43,106 0.251,107 0.507,108 0.608,109 0.717,110 0.763,111 0.802,112 3.342,113 0.845,114 -4.7,115 -4.62,116 -4.34,120 50,125 2,143 11,144 4,145 3,159 2,174 14,176 2,177 8,185 17,188 1,189 12,197 15,200 2,201 15,209 12,213 3,214 12,222 14,226 2,227 12,235 14,240 8,247 11,252 6,260 6,264 2,271 2,274 1011,275 18.637,276 18.637,277 18.637,278 18.637,279 18.637,280 16.364,281 16.614,282 10.804,283 19.042,284 14.649,285 14.649,286 14.649,287 14.649,288 14.649,289 11.026,290 20.664,291 4.899,292 15.084,293 3.991,294 2.491,295 1.899,296 1.262,297 0.989,298 0.762,299 4.038,305 1,306 1,307 1,308 463,309 2.646,313 167.024,314 53.904,318 178.422,320 1.056,321 32.952,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 58.5,333 214,334 4.664,335 3.945,336 7.104,337 4.355,338 3.372,339 4.29,340 1.349,341 12.267,342 3.318,343 4.32,344 3.38,345 6.596,346 3.94,347 2.971,348 3.953,349 0.86,350 10.474,351 2.868,352 4.052,353 3.134,354 6.231,355 3.672,356 2.659,357 3.607,358 0.86,359 9.063,360 2.688,361 3.821,362 2.891,363 5.876,364 3.465,365 2.496,366 3.148,367 0.8,368 7.972,369 2.413,370 3.501,371 2.673,372 5.221,373 3.116,374 2.191,375 2.79,377 6.461,378 2.015,379 3.151,380 2.168,381 4.794,382 2.666,383 1.648,384 2.382,386 4.611,387 1.672,388 2.98,389 2.023,390 4.512,391 2.553,392 1.571,393 2.189,395 3.969,396 1.541,397 2.895,398 1.526,399 4.157,400 2.461,401 1.471,402 2.038,404 3.336,405 1.45,406 2.586,407 1.323,408 3.637,409 2.1,410 1.101,411 1.597,413 2.828,414 1.097,415 2.5,416 1.31,417 3.618,418 2,419 1,420 1.5,422 2.449,423 1,424 2.467,425 1.27,426 3.528,427 1.902,428 0.854,429 1.311,431 2.137,432 0.887,433 1.952,434 1,435 3.156,436 1.64,437 0.767,438 0.867,440 1.341,441 0.661,442 1.565,443 0.935,444 2.965,445 1.234,446 0.353,447 0.396,449 0.53,450 0.304,451 1.387,452 0.893,453 2.655,454 1.056,455 0.085,456 0.106,458 0.182,459 0.082,460 1.105,461 0.006,462 2.441,463 0.671,464 -0.359,465 -0.485,467 -0.798,468 -0.36,469 12.733,470 0.472,471 0.607,472 0.022,473 39.75,474 1.472,475 22.5,476 0.833,477 17.25,478 0.639,479 18.858,480 0.698,481 27.467,482 0.624,483 32.94,484 1.22,485 8.24,486 0.305,487 4.911,488 0.182,489 0.131,491 0.385,496 0.702,497 1.144,498 0.671,499 1.008,500 0.553,501 0.868,502 0.974,503 0.873,504 0.782,505 0.767,506 0.682,507 0.744,508 0.905,509 1.076,510 0.741,511 0.94,512 0.854,513 0.831,514 1.136,515 1.169,516 0.903,517 1.055,518 1.274,519 0.95,520 1.04,521 0.949,522 0.943,523 0.927,524 1.359,525 0.904,526 1.186,527 0.992,528 1.045,529 1.047,530 1.458,531 1.017,532 1.679,533 0.948,534 1.372,535 1.022,536 1.66,537 1.119,538 1.151,539 1.123,540 1.379,541 1.233,542 0.967,543 1.338,544 4,545 0.025,546 3.333,547 2.563,548 2.533,549 1.459,550 0.807,551 0.341,552 0.203,553 0.083,554 7091,555 20212,556 2.097,557 38.6,559 17,567 1.714,568 1.952,569 2.961,570 -0.806,572 1,575 64.621,576 1.469,577 2.968,578 3.56,579 4.198,580 4.471,581 4.698,582 2.373,583 4.014,584 4.729,585 3.077,586 1080.16,587 8.278,588 13013.1,590 1,592 1,593 240.215,594 1.447,595 4.681,596 0.133,597 0.012,598 0.078,599 0.047,600 0.045,601 0.027,602 0.018,603 0.01,604 0.009,605 0.008,606 0.388,607 0.5,608 1,609 0.862,610 127.959,611 -0.019,612 -0.135,613 0.057,614 -0.067,615 -0.053,616 -0.006,617 -0.017,618 0.149,619 0.072,620 0.179,621 -0.037,622 0.144,623 -0.016,624 -0.054,625 0.1,626 0.002,627 -0.003,628 0.058,630 -0.141,631 -0.015,632 -0.127,633 0.089,634 -0.085,635 0.093,636 0.078,637 0.01,638 0.017,639 0.029,640 0.009,641 0.014,642 -0.017,643 -0.06,644 -0.082,645 -0.002,646 -0.08,647 -0.326,648 -0.017,649 -0.356,650 -0.042,651 -0.315,652 -0.175,653 -0.176,654 -0.199,655 -0.365,656 -0.233,657 -0.173,658 -0.32,659 2.071,660 6.393,661 0.778,662 18.313,663 1.011,664 1.106,665 3.475,666 12.075,667 0.703,668 3.434,669 3.784,670 4.159,671 4.489,672 4.796,673 4.956,674 5.1,675 5.204,676 5.323,677 5.389,678 4.971,679 0.684,680 359.4,681 3.434,682 4.99,683 5.883,684 6.795,685 7.709,686 8.631,687 9.552,688 10.477,689 11.402,690 12.329,691 2.3,698 1,709 11,714 7,716 18,735 2,738 44,739 20,740 3,741 30,743 47,744 22,745 18,746 7,747 11,748 2,752 4,753 7,768 20,769 2,772 2,778 2,782 2,786 1,789 17,790 5,792 5,797 1,800 1,803 0.5,804 4,823 3,824 1,828 2,855 2,859 2,862 27,872 2,875 1,886 9.1,889 2,891 2,893 13.833,894 8.783,895 6.083,896 2.469,898 3.773,899 1.482,900 1.002,901 4.423,902 11.597,903 3.738,904 4.35,905 5.002,906 5.617,907 6.199,908 6.481,909 6.885,910 7.234,911 7.632,912 7.967,913 1,914 54,915 10.028,917 4.379,918 7.87,919 18.696,921 15.294,924 2.37,925 64,928 1,929 200.109,930 161.4,931 3.124,933 72.29,936 161.4,937 272.398,938 3.124,939 21.766,940 3.124,941 104.239,942 59.699,943 47.986,945 200.109,947 200.109,948 164.524,949 72.29,952 200.109,953 72.29,956 3.124,957 161.4,960 200.109,961 75.414,962 161.4,965 200.109,966 35.395,967 129.129,969 72.29,970 200.109,971 75.414,972 161.4,973 0.578,974 0.371,975 0.218,976 0.126,977 22,978 10,979 0.064,980 3,981 2,982 1.19,983 3.573,984 256.975,985 0.19,986 21,987 112.382,993 17.317,994 6.897,995 2.787,997 75.414,998 19.479,1003 3.665,1006 436.923,1007 41,1013 26.785,1017 -0.809,1020 44.48,1021 48.658,1022 0.269,1023 0.544,1024 0.652,1025 0.769,1026 0.819,1027 0.861,1028 4.98,1029 1.471,1030 5.883,1031 3.969,1032 4.466,1033 5.037,1034 2.17,1035 6.779,1036 4.421,1037 6.2,1038 1.101,1039 7.494,1040 3.336,1041 4.111,1042 4.832,1043 0.325,1044 7.858,1045 4.049,1046 7.524,1047 1,1048 9.211,1049 2.828,1050 6.129,1051 7.248,1052 2.282,1053 11.038,1054 6.044,1055 8.888,1056 0.854,1057 10.99,1058 2.449,1059 6.635,1060 7.871,1061 0.931,1062 12.943,1063 6.53,1064 10.285,1065 0.767,1066 12.81,1067 2.137,1068 8.11,1069 9.743,1070 2.535,1071 15.653,1072 7.991,1073 11.706,1074 0.353,1075 14.656,1076 1.341,1077 8.995,1078 10.754,1079 1.621,1080 17.886,1081 8.857,1082 13.146,1083 0.085,1084 16.521,1085 0.53,1086 10.273,1087 12.395,1088 2.906,1089 20.444,1090 10.122,1091 3.372,1092 -0.359,1093 18.4,1094 0.182,1095 11.328,1096 13.604,1097 2.316,1098 22.818,1099 11.159,1100 2.971,1101 12.267,1102 20.29,1103 -0.798,1104 12.539,1105 15.137,1106 3.358,1107 25.326,1108 12.356,1109 2.659,1110 10.474,1111 22.188,1112 4.29,1113 13.67,1114 16.449,1115 2.996,1116 27.764,1117 13.469,1118 2.496,1119 9.063,1120 24.094,1121 3.953,1122 14.863,1123 17.93,1124 3.86,1125 30.258,1126 14.647,1127 2.191,1128 7.972,1129 26.005,1130 3.607,1131 16.029,1132 19.299,1133 3.659,1134 32.726,1135 15.797,1136 1.648,1137 6.461,1138 27.921,1139 3.148,1140 17.22,1141 20.755,1142 4.393,1143 35.218,1144 16.973,1145 1.571,1146 4.611,1147 29.842,1148 2.79,1149 18.404,1150 22.156,1151 4.307,1152 37.702,1153 18.142,1154 6872,1155 11723,1156 19.997,1157 30.915,1158 45.416,1159 48.128,1160 48.258,1161 44.973,1162 45.074,1163 60.349,1164 7.738,1165 135.241,1166 43.994,1167 5.528,1168 5.945,1169 6.787,1170 5.379,1171 5.372,1172 7.29,1173 2.549,1174 20.035,1175 5.318,1176 12.691,1177 1.514,1178 1.604,1179 1.609,1180 1.499,1181 1.502,1182 2.012,1183 0.258,1184 4.508,1185 1.466,1186 4.079,1187 4.096,1188 4.048,1189 4.013,1190 7.443,1191 4.017,1192 3.893,1193 3.909,1194 3.847,1195 3.811,1196 7.411,1197 3.817,1198 3.749,1199 3.776,1200 3.681,1201 3.69,1202 4.918,1203 3.684,1204 3.421,1205 3.444,1206 3.379,1207 3.199,1208 4.789,1209 3.239,1210 3.31,1211 3.357,1212 3.163,1213 3.016,1214 4.602,1215 3.039,1216 3.14,1217 3.227,1218 3.002,1219 2.882,1220 4.577,1221 2.901,1222 3.049,1223 3.052,1224 2.892,1225 2.866,1226 4.152,1227 2.855,1228 2.943,1229 2.992,1230 2.835,1231 2.861,1232 3.792,1233 2.849,1234 0.155,1235 0.132,1236 0.237,1237 0.145,1238 0.112,1239 4.664,1240 0.143,1241 3.945,1242 0.045,1243 7.104,1244 0.409,1245 4.355,1246 0.111,1247 3.372,1248 4.29,1249 1.349,1250 12.267,1251 3.318,1252 1.989,1253 1.973,1254 2.073,1255 2.044,1256 1.209,1257 2.054,1258 1.896,1259 1.88,1260 1.975,1261 2.023,1262 1.088,1263 2.005,1264 1.772,1265 1.749,1266 1.893,1267 1.869,1268 0.964,1269 1.875,1270 1.299,1271 1.273,1272 1.593,1273 1.577,1274 0.587,1275 1.575,1276 1.226,1277 1.168,1278 1.541,1279 1.528,1280 0.559,1281 1.51,1282 1.126,1283 1.033,1284 1.369,1285 1.416,1286 0.403,1287 1.435,1288 1.011,1289 0.988,1290 1.188,1291 1.182,1292 0.293,1293 1.162,1294 0.94,1295 0.897,1296 1.151,1297 1.09,1298 0.214,1299 1.124,1300 4.111,1302 5.451,1304 7.013,1305 2.708,1306 8.673,1307 5.533,1308 10.383,1310 3.03,1318 10.691,1321 1.159,1326 30.095,1327 64.621,1328 130.598,1329 156.651,1330 184.705,1331 196.705,1332 206.705,1333 52.31,1334 7.824,1335 57.53,1336 57.53,1337 25,1338 12.833,1339 4.392,1340 3.585,1341 39.616,1342 79,1343 89,1344 0.25,1345 182.806,1346 324.14,1347 437.807,1348 25964,1350 18.966,1351 0.702,1352 0.553,1353 18.966,1354 14.931,1355 13.151,1356 0.438,1357 0.282,1358 8.313,1359 12.629,1360 8.074,1361 6.721,1362 13.151,1363 8.447,1364 11.439,1365 0.266,1366 0.141,1367 11.439,1368 6.075,1369 10.617,1370 0.169,1371 0.074,1372 10.617,1373 4.638,1374 9.283,1375 0.105,1376 0.038,1377 9.283,1378 3.332,1379 7.893,1380 0.066,1381 0.02,1382 7.893,1383 2.367,1384 0.367,1385 82.794,1386 0.224,1387 24.682,1388 0.773,1389 146,1390 464.587,1391 159.266,1392 441.225,1393 605.11,1394 414,1395 179,1396 443.589,1397 193.018,1398 451.385,1399 668.32,1400 423,1401 4.52}
{0 CHEMBL1576157,1 1.705,2 9.333,3 3.781,4 14.299,5 97.403,6 8.178,7 0.423,8 3.832,9 3.945,10 3.529,11 3.431,12 4.989,13 3.386,14 4.344,15 4.526,16 3.958,17 3.796,18 5.46,19 3.747,20 4.461,21 4.613,22 4.034,23 3.912,24 5.707,25 3.857,26 4.635,27 4.816,28 3.887,29 3.992,30 5.798,31 3.881,32 4.601,33 4.782,34 3.902,35 3.968,36 5.764,37 3.858,38 4.752,39 5.011,40 3.693,41 3.873,42 5.832,43 3.723,44 4.431,45 4.669,46 3.501,47 3.646,48 5.453,49 3.495,50 4.269,51 4.496,52 3.502,53 3.476,54 5.37,55 3.362,56 0.024,57 0.688,58 7.858,59 3.977,60 5.367,61 4.753,62 0.23,63 1.117,64 17.302,65 6.281,66 17.97,67 7.883,68 0.254,69 1.294,70 18.951,71 7.473,72 19.99,73 8.436,74 0.377,75 1.441,76 27.365,77 9.935,78 49.283,79 10.914,80 0.143,81 1.399,82 21.557,83 9.514,84 26.057,85 11.525,86 0.548,87 1.47,88 32.847,89 11.392,90 81.326,91 13.477,92 0.274,93 1.04,94 23.034,95 8.146,96 37.985,97 9.851,98 0.264,99 0.945,100 19.263,101 6.349,102 30.45,103 7.382,104 38,105 38,106 0.298,107 0.635,108 0.774,109 0.831,110 0.864,111 0.864,112 3.229,113 0.962,114 -4.94,115 -4.85,116 -4.55,120 42.9,121 2,125 2,136 1,139 1,143 5,144 1,145 2,153 2,159 1,160 1,174 5,176 2,177 7,185 6,189 6,197 5,200 1,201 4,209 7,214 4,222 10,226 2,227 3,235 7,239 1,240 3,247 2,252 3,260 2,264 5,271 1,274 756,275 15.853,276 15.853,277 15.853,278 15.853,279 15.853,280 13.687,281 14.827,282 8.972,283 16.352,284 12.676,285 12.676,286 12.676,287 12.676,288 12.676,289 9.609,290 10.538,291 4.105,292 13.519,293 3.687,294 1.765,295 0.967,296 0.643,297 0.453,298 0.453,299 3.9,305 1,306 1,307 1,308 472,309 2.646,312 135.933,313 80.169,320 1.417,321 25.085,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 52,333 224,334 4.637,335 4.727,336 6.933,337 4.223,338 3.274,339 4.383,340 3.659,341 11.596,342 3.109,343 4.383,344 3.471,345 6.608,346 4.034,347 3.118,348 3.766,349 1.187,350 10.371,351 2.861,352 4.036,353 3.431,354 6.009,355 3.613,356 2.648,357 3.585,358 0.63,359 8.437,360 2.546,361 3.604,362 3.175,363 5.495,364 3.102,365 2.168,366 2.871,367 0.218,368 6.772,369 2.015,370 3.296,371 2.929,372 5.25,373 2.864,374 1.905,375 2.501,377 5.849,378 1.804,379 3.006,380 2.217,381 4.744,382 2.606,383 1.65,384 2.16,386 4.685,387 1.576,388 2.914,389 1.925,390 4.619,391 2.451,392 1.548,393 2.019,395 4.432,396 1.379,397 2.854,398 1.686,399 4.059,400 2.38,401 1.414,402 1.942,404 3.187,405 1.343,406 2.523,407 1.576,408 3.599,409 2.098,410 1.128,411 1.526,413 2.868,414 1.085,415 1.979,416 1.339,417 3.225,418 1.519,419 0.565,420 0.69,422 1.012,423 0.526,424 1.48,425 1.241,426 2.921,427 1.162,428 0.239,429 0.283,431 0.544,432 0.218,433 1.256,434 0.564,435 2.682,436 0.94,442 0.867,443 0.262,444 2.367,445 0.541,446 -0.396,447 -0.468,449 -0.906,450 -0.355,451 0.743,452 0.043,453 2.202,454 0.431,455 -0.508,456 -0.597,458 -1.165,459 -0.467,460 0.528,461 -0.318,462 2,463 0.078,464 -0.9,465 -1.086,467 -2.225,468 -0.837,469 11.652,470 0.486,471 0.737,472 0.031,473 30,474 1.25,475 14.5,476 0.604,477 15.5,478 0.646,479 20.923,480 0.872,481 25.548,482 0.608,483 22.141,484 0.923,485 6.176,486 0.257,487 5.259,488 0.219,489 0.225,491 0.412,494 1,496 0.605,497 1.18,498 0.703,499 0.981,500 0.535,501 0.938,502 0.669,503 0.91,504 0.651,505 0.753,506 0.56,507 0.659,508 1.025,509 1.078,510 0.958,511 1.035,512 0.934,513 0.957,514 1.226,515 1.058,516 1.458,517 1.231,518 1.179,519 1.149,520 0.838,521 1.264,522 0.967,523 1.246,524 0.859,525 1.261,526 1.289,527 0.922,528 1.066,529 0.915,530 1.458,531 0.949,532 0.88,533 0.897,534 1.131,535 1.077,536 0.901,537 1.055,538 1.094,539 0.997,540 1.04,541 1.022,542 1.049,543 1.003,544 5,545 0.074,546 3.556,547 3.306,548 1.522,549 0.907,550 0.538,551 0.394,552 0.246,553 0.184,554 5730,555 17351,556 1.991,557 42.9,559 12,563 6,567 1.671,568 1.8,569 3.188,570 -0.74,572 1,575 71.605,576 1.705,577 3.627,578 4.425,579 4.749,580 4.939,581 4.939,582 2.669,583 4.335,584 4.558,585 3.329,586 918.866,587 7.878,588 10540.6,589 1,590 1,592 1,593 226.477,594 1.555,595 4.478,596 0.192,597 0.007,598 0.094,599 0.083,600 0.043,601 0.027,602 0.02,603 0.018,604 0.012,605 0.011,606 0.506,607 0.33,608 1,609 0.882,610 112.688,611 -0.013,612 -0.189,613 0.068,614 -0.039,615 -0.053,616 -0.021,617 0.096,618 0.069,619 0.28,620 0.206,621 0.041,622 0.275,623 -0.021,624 0.016,625 -0.007,626 -0.043,627 0.01,628 -0.046,629 -0.18,630 -0.004,631 -0.349,632 -0.145,633 -0.108,634 -0.188,635 -0.012,636 -0.268,637 -0.098,638 -0.272,639 0.002,640 -0.278,641 -0.082,642 0.087,643 -0.029,644 0.081,645 -0.146,646 0.062,647 -0.049,648 -0.053,649 -0.072,650 -0.057,651 -0.058,652 -0.049,653 -0.103,654 -0.095,655 0.009,656 -0.04,657 -0.073,658 -0.046,659 1.94,660 6.143,661 0.667,662 18.167,663 1.007,664 1.126,665 3.714,666 13.792,667 0.694,668 3.296,669 3.664,670 3.989,671 4.248,672 4.369,673 4.357,674 4.477,675 4.595,676 4.635,677 4.635,678 5.551,679 0.656,680 343.46,681 3.296,682 4.86,683 5.74,684 6.642,685 7.54,686 8.446,687 9.348,688 10.256,689 11.161,690 12.069,691 7.1,698 1,699 1,700 1,709 5,714 5,715 1,716 11,737 1,738 42,739 14,740 1,741 26,743 44,744 18,745 10,746 2,747 4,748 3,752 3,753 3,759 2,768 14,769 4,772 3,778 1,780 1,781 1,782 3,786 1,787 1,789 18,790 4,792 6,793 1,797 3,803 1,804 1,818 1,822 2,823 1,839 1,845 2,855 3,856 1,857 1,859 4,861 1,862 24,873 1,875 1,885 1,886 2.4,889 1,893 13.333,894 9.076,895 5.306,896 2.382,898 2.789,899 1.4,900 0.983,901 4.549,902 9.756,903 3.57,904 4.201,905 4.797,906 5.354,907 5.787,908 6.055,909 6.486,910 6.883,911 7.173,912 7.431,913 1,914 40,915 8.889,917 3.772,918 7.882,919 16.729,921 13.487,924 2.382,925 57.167,928 1,929 211.88,930 151.045,931 21.809,933 25.145,934 14.96,935 32.22,936 118.826,937 237.025,938 36.769,939 34.443,940 3.124,941 56.857,942 31.4,943 33.748,944 21.167,945 244.099,947 211.88,948 140.635,949 40.105,950 32.22,952 226.84,953 25.145,956 39.459,957 90.149,958 11.027,959 32.22,960 226.84,961 46.954,962 151.045,965 211.88,966 59.745,967 96.324,969 56.891,970 211.88,971 61.914,972 151.045,973 0.594,974 0.375,975 0.201,976 0.101,977 19,978 10,979 0.045,980 2,982 1,983 3.447,984 199.142,986 16,987 110.039,989 1,993 16.844,994 6.481,995 2.922,997 60.015,998 8.637,1003 2.943,1004 1.865,1006 424.839,1007 34.5,1013 12.295,1015 1.849,1016 4.104,1017 1.22,1020 42.291,1021 47.286,1022 0.316,1023 0.673,1024 0.821,1025 0.881,1026 0.916,1027 0.916,1028 4.834,1029 1.414,1030 5.765,1031 4.432,1032 4.344,1033 4.887,1034 3.414,1035 6.648,1036 4.223,1037 6.08,1038 1.128,1039 7.382,1040 3.187,1041 4.111,1042 4.82,1043 2.048,1044 7.689,1045 3.917,1046 7.42,1047 0.565,1048 9.099,1049 2.868,1050 6.014,1051 7.108,1052 5.803,1053 10.83,1054 5.773,1055 8.797,1056 0.239,1057 10.87,1058 1.012,1059 6.594,1060 7.849,1061 4.991,1062 12.689,1063 6.273,1064 10.205,1066 12.677,1067 0.544,1068 8.01,1069 9.632,1070 8.339,1071 15.359,1072 7.647,1073 11.636,1074 -0.396,1075 14.507,1077 8.936,1078 10.746,1079 7.867,1080 17.549,1081 8.493,1082 13.083,1083 -0.508,1084 16.355,1085 -0.906,1086 10.183,1087 12.331,1088 10.891,1089 20.06,1090 9.695,1091 3.274,1092 -0.9,1093 18.216,1094 -1.165,1095 11.251,1096 13.622,1097 10.665,1098 22.388,1099 10.689,1100 3.118,1101 11.596,1102 20.088,1103 -2.225,1104 12.44,1105 15.127,1106 13.446,1107 24.843,1108 11.828,1109 2.648,1110 10.371,1111 21.968,1112 4.383,1113 13.565,1114 16.503,1115 13.414,1116 27.229,1117 12.886,1118 2.168,1119 8.437,1120 23.855,1121 3.766,1122 14.736,1123 17.979,1124 16.004,1125 29.667,1126 14.004,1127 1.905,1128 6.772,1129 25.749,1130 3.585,1131 15.885,1132 19.398,1133 16.131,1134 32.079,1135 15.091,1136 1.65,1137 5.849,1138 27.647,1139 2.871,1140 17.052,1141 20.863,1142 18.564,1143 34.513,1144 16.204,1145 1.548,1146 4.685,1147 29.548,1148 2.501,1149 18.211,1150 22.305,1151 18.824,1152 36.938,1153 17.305,1154 5705,1155 10047,1156 16.531,1157 29.148,1158 40.231,1159 43.573,1160 42.62,1161 39.374,1162 39.313,1163 51.454,1164 11.389,1165 119.503,1166 36.924,1167 5.439,1168 6.727,1169 6.617,1170 5.341,1171 5.274,1172 7.383,1173 7.14,1174 18.988,1175 5.109,1176 14.749,1177 1.547,1178 1.676,1179 1.639,1180 1.514,1181 1.512,1182 1.979,1183 0.438,1184 4.596,1185 1.42,1186 4.085,1187 4.12,1188 4.116,1189 3.985,1190 8.201,1191 3.993,1192 3.832,1193 3.858,1194 3.972,1195 3.761,1196 7.428,1197 3.747,1198 3.73,1199 3.771,1200 3.702,1201 3.617,1202 4.827,1203 3.603,1204 3.308,1205 3.386,1206 3.185,1207 3.115,1208 4.654,1209 3.117,1210 3.206,1211 3.301,1212 3.086,1213 3.015,1214 4.551,1215 2.994,1216 3.138,1217 3.232,1218 2.955,1219 2.931,1220 4.074,1221 2.911,1222 2.906,1223 2.971,1224 2.841,1225 2.733,1226 3.899,1227 2.737,1228 2.86,1229 2.954,1230 2.767,1231 2.715,1232 3.834,1233 2.705,1234 0.178,1235 0.182,1236 0.267,1237 0.162,1238 0.126,1239 4.637,1240 0.169,1241 4.727,1242 0.141,1243 6.933,1244 0.446,1245 4.223,1246 0.12,1247 3.274,1248 4.383,1249 3.659,1250 11.596,1251 3.109,1252 1.909,1253 1.879,1254 2.004,1255 2.027,1256 1.115,1257 2.02,1258 1.712,1259 1.694,1260 1.827,1261 1.82,1262 0.979,1263 1.815,1264 1.543,1265 1.486,1266 1.756,1267 1.743,1268 0.852,1269 1.751,1270 1.502,1271 1.433,1272 1.714,1273 1.715,1274 0.76,1275 1.731,1276 1.338,1277 1.301,1278 1.599,1279 1.548,1280 0.643,1281 1.573,1282 1.145,1283 1.042,1284 1.472,1285 1.379,1286 0.571,1287 1.428,1288 0.874,1289 0.808,1290 1.166,1291 1.105,1292 0.261,1293 1.132,1294 0.852,1295 0.784,1296 1.124,1297 1.09,1298 0.221,1299 1.102,1300 3.97,1302 5.323,1303 3.045,1304 6.866,1305 5.533,1306 8.491,1307 7.687,1308 10.159,1310 7.227,1312 14.143,1319 1.349,1321 1.534,1326 27.564,1327 71.605,1328 152.338,1329 185.848,1330 199.458,1331 207.458,1332 207.458,1333 45.568,1334 6.967,1335 39.29,1336 67.53,1337 16,1338 12.586,1339 3.907,1340 3.248,1341 39.195,1342 80,1343 78,1344 0.247,1345 174.541,1346 306.33,1347 417.641,1348 8578,1349 2.4,1350 17.43,1351 0.726,1352 0.617,1353 16.914,1354 14.817,1355 11.435,1356 0.44,1357 0.321,1358 7.477,1359 10.557,1360 7.054,1361 5.931,1362 11.432,1363 8.336,1364 10.453,1365 0.275,1366 0.174,1367 10.568,1368 6.603,1369 9.406,1370 0.177,1371 0.098,1372 9.831,1373 5.197,1374 7.636,1375 0.111,1376 0.054,1377 8.183,1378 3.746,1379 5.691,1380 0.073,1381 0.03,1382 6.01,1383 2.319,1384 0.379,1385 75.814,1386 0.246,1387 23.054,1388 0.704,1389 128,1390 425.642,1391 167.719,1392 409.338,1393 555.97,1394 382,1395 155,1396 393.867,1397 192.958,1398 412.101,1399 607.96,1400 385,1401 6.796}
{0 CHEMBL1576188,1 1.818,2 10.05,3 3.895,4 15.173,5 88.139,6 9.34,7 0.5,8 3.667,9 3.757,10 3.538,11 3.352,12 4.672,13 3.258,14 4.215,15 4.36,16 3.905,17 3.724,18 5.191,19 3.6,20 4.367,21 4.559,22 3.863,23 3.786,24 5.267,25 3.602,26 4.289,27 4.49,28 3.735,29 3.741,30 5.102,31 3.482,32 4.142,33 4.364,34 3.619,35 3.503,36 5.015,37 3.322,38 3.979,39 4.179,40 3.409,41 3.406,42 4.855,43 3.233,44 3.987,45 4.209,46 3.328,47 3.363,48 4.787,49 3.115,50 3.733,51 3.932,52 3.234,53 3.107,54 4.63,55 2.926,56 0.016,57 0.496,58 5.652,59 3.433,60 3.28,61 4.015,62 0.219,63 0.882,64 17.447,65 6.61,66 14.383,67 6.853,68 0.312,69 0.979,70 23.219,71 8.105,72 21.55,73 8.817,74 0.194,75 0.957,76 32.314,77 9.995,78 15.791,79 9.785,80 0.245,81 0.799,82 23.836,83 7.1,84 17.279,85 7.726,86 0.071,87 0.646,88 11.415,89 5.323,90 10.269,91 6.544,92 0.17,93 0.665,94 23.505,95 7.2,96 14.036,97 7.36,98 0.198,99 0.51,100 18.392,101 5.415,102 12.98,103 5.145,104 2,105 29,106 0.336,107 0.648,108 0.769,109 0.79,110 0.79,111 0.79,112 3.056,113 1.188,114 -4.47,115 -4.4,116 -4.14,120 40,126 5,143 4,145 2,147 1,152 1,163 1,174 2,176 1,177 2,185 6,188 1,189 1,197 6,209 1,213 1,214 4,222 1,227 2,235 2,240 2,247 2,252 4,271 1,274 494,275 13.792,276 13.792,277 13.792,278 13.792,279 13.792,280 12.447,281 17.335,282 8.398,283 14.627,284 10.887,285 10.887,286 10.887,287 10.887,288 10.887,289 8.88,290 21.931,291 4.051,292 12.309,293 3.312,294 1.624,295 0.971,296 0.857,297 0.857,298 0.857,299 3.741,303 1,305 1,306 1,307 1,308 436,309 2.121,312 55.954,313 136.753,320 1.555,321 11.748,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42.333,333 201,334 4.21,335 4.435,336 6.181,337 3.8,338 2.921,339 3.788,340 3.272,341 9.223,342 2.567,343 4.009,344 3.182,345 5.445,346 3.539,347 2.625,348 3.611,349 0.86,350 7.239,351 2.374,352 3.559,353 2.993,354 5.274,355 3.288,356 2.362,357 2.753,358 0.8,359 6.739,360 2.179,361 3.394,362 2.83,363 4.881,364 2.927,365 2.074,366 2.641,368 5.669,369 1.686,370 2.859,371 2.372,372 4.332,373 2.576,374 1.706,375 1.904,377 4.198,378 1.464,379 2.5,380 2.053,381 3.501,382 2,383 1.143,384 1.5,386 2.67,387 1,388 2.318,389 1.345,390 3.414,391 1.961,392 1,393 1.285,395 2.275,396 0.946,397 2.08,398 1.256,399 3.27,400 1.952,401 1,402 1,404 2.136,405 0.923,406 2,407 1,408 3.247,409 1.536,410 0.702,411 0.951,413 1.712,414 0.571,415 1.821,416 0.995,417 3.134,418 1.378,419 0.592,420 0.714,422 1.415,423 0.45,424 1.095,425 0.703,426 2.391,427 0.642,428 -0.174,429 -0.209,431 -0.383,432 -0.118,433 0.5,434 -0.006,435 2.161,436 0.255,437 -0.662,438 -0.7,440 -1.524,441 -0.585,442 0.437,443 -0.36,444 2,446 -0.931,447 -1,449 -2.347,450 -0.702,451 0.252,452 -0.389,453 1.655,454 -0.103,455 -1,456 -1.065,458 -2.492,459 -0.846,461 -0.677,462 1.555,463 -0.149,464 -1,465 -1.5,467 -3,468 -1,469 10.514,470 0.526,471 0.362,472 0.018,473 24,474 1.2,475 11,476 0.55,477 13,478 0.65,479 16.731,480 0.837,481 21.286,482 0.608,483 12.516,484 0.626,485 4.345,486 0.217,487 5.464,488 0.273,489 0.068,491 0.228,496 0.771,497 1.2,498 0.628,499 0.826,500 0.66,501 0.849,502 1.28,503 1.075,504 0.918,505 0.946,506 0.927,507 0.875,508 1.214,509 0.925,510 1.017,511 0.886,512 1.131,513 0.962,514 0.81,515 1.152,516 1.363,517 1.354,518 0.94,519 1.185,520 0.579,521 0.979,522 0.762,523 0.978,524 0.655,525 0.913,526 0.628,527 1.06,528 0.62,529 0.843,530 0.647,531 1.022,532 0.981,533 1.019,534 1.373,535 1.25,536 0.995,537 1.029,538 1.064,539 1.026,540 1.314,541 1.305,542 0.724,543 0.926,544 3.5,545 0.049,546 1.778,547 0.535,548 0.748,549 0.375,550 0.131,551 0.212,552 0.104,553 0.045,554 4391,555 13805,556 2.138,557 42.9,559 14,560 1,567 1.61,568 2.069,569 3.321,570 -0.689,572 1,574 1,575 63.619,576 1.818,577 3.506,578 4.158,579 4.272,580 4.272,581 4.272,582 2.771,583 3.722,584 4.294,585 3.439,586 653.329,587 7.295,588 6908.14,590 1,591 1,592 1,593 179.525,594 1.076,595 4.283,596 0.159,597 0.005,598 0.061,599 0.021,600 0.037,601 0.02,602 0.008,603 0.015,604 0.008,605 0.004,606 0.339,607 0.33,608 1,609 0.432,610 90.631,611 -0.017,612 -0.16,613 0.048,614 0.007,615 0.001,616 0.001,617 -0.138,618 0.007,619 -0.041,620 0.016,621 -0.034,622 0.012,623 -0.144,624 0.102,625 -0.066,626 0.073,627 -0.139,628 -0.026,629 -0.115,630 -0.084,631 -0.177,632 -0.147,633 -0.138,634 -0.149,635 0.168,636 0.053,637 0.117,638 0.01,639 0.116,640 0.066,641 0.03,642 -0.121,643 0.075,644 -0.001,645 0.064,646 -0.076,647 -0.104,648 -0.01,649 -0.144,650 -0.051,651 -0.062,652 0.032,653 0.045,654 0.024,655 -0.092,656 -0.102,657 0.228,658 0.1,659 0.891,660 1.863,661 0.85,662 15.97,663 1.006,664 1.111,665 3.24,666 10.5,667 0.741,668 3.135,669 3.401,670 3.611,671 3.807,672 3.97,673 3.892,674 3.912,675 4.007,676 4.043,677 4.043,678 5.843,679 0.676,680 326.9,681 3.135,682 4.635,683 5.451,684 6.29,685 7.122,686 7.964,687 8.803,688 9.646,689 10.488,690 11.333,691 5.7,697 1,701 1,709 5,710 1,713 1,714 4,716 11,732 1,737 1,738 35,739 11,740 1,741 22,743 37,744 14,745 9,746 2,747 4,752 3,753 3,754 1,768 9,769 5,786 1,789 15,790 3,792 6,793 3,797 2,803 1,804 1,822 1,823 2,854 1,855 3,856 1,857 2,860 1,862 20,869 5,872 1,873 1,875 1,879 1,885 1,886 2.9,890 1,893 9.667,894 6.21,895 4.444,896 2.038,898 1.951,899 1.298,900 0.987,901 5.073,902 8.507,903 3.35,904 3.866,905 4.345,906 4.82,907 5.147,908 5.142,909 5.246,910 5.592,911 5.901,912 6.167,913 0.857,914 25,915 7.38,917 3.043,918 7.522,919 14.506,921 11.826,924 2.022,925 40.444,926 0.001,929 176.567,930 131.656,931 19.91,932 39.149,933 11,935 63.497,936 68.159,937 226.715,938 19.91,940 14.296,941 45.554,942 27.785,943 11.433,944 11.771,945 228.293,946 39.149,947 176.567,948 88.069,949 11,950 102.646,952 176.567,954 11,956 17.553,957 53.73,958 55.934,959 63.497,960 176.567,961 30.91,962 170.805,965 176.567,966 86.102,967 48.678,969 66.934,970 176.567,971 30.91,972 170.805,973 0.569,974 0.319,975 0.166,976 0.091,977 14,978 5,979 0.108,980 4,982 1,983 3.451,984 141.727,986 17,987 78.439,989 2,993 14.481,994 7.006,995 4.031,997 30.91,998 10.076,999 4.709,1002 1.718,1003 4.24,1006 378.281,1007 27.5,1020 35.193,1021 38.896,1022 0.354,1023 0.683,1024 0.811,1025 0.833,1026 0.833,1027 0.833,1028 4.551,1029 1,1030 5.389,1031 2.275,1032 4.078,1033 4.549,1034 3.213,1035 6.098,1036 3.839,1037 5.698,1038 0.702,1039 6.878,1040 2.136,1041 3.434,1042 4.111,1043 0.325,1044 6.763,1045 3.034,1046 6.957,1047 0.592,1048 8.462,1049 1.712,1050 5.572,1051 6.605,1052 5.446,1053 9.805,1054 5.116,1055 8.25,1056 -0.174,1057 10.102,1058 1.415,1059 5.771,1060 7.025,1061 0.268,1062 11.332,1063 5.131,1064 9.576,1065 -0.662,1066 11.78,1067 -0.383,1068 7.321,1069 8.933,1070 7.807,1071 13.841,1072 6.645,1073 10.923,1074 -0.931,1075 13.485,1076 -1.524,1077 7.923,1078 9.752,1079 0.188,1080 15.735,1081 7.056,1082 12.285,1083 -1,1084 15.208,1085 -2.347,1086 9.208,1087 11.394,1088 10.177,1089 18.057,1090 8.299,1091 2.921,1092 -1,1093 16.947,1094 -2.492,1095 10.021,1096 12.423,1097 0.125,1098 20.122,1099 8.924,1100 2.625,1101 9.223,1102 18.697,1103 -3,1104 11.181,1105 13.927,1106 12.548,1107 22.375,1108 10.025,1109 2.362,1110 7.239,1111 20.457,1112 3.788,1113 12.107,1114 15.074,1115 0.082,1116 24.521,1117 10.771,1118 2.074,1119 6.739,1120 22.225,1121 3.611,1122 13.208,1123 16.502,1124 14.919,1125 26.75,1126 11.795,1127 1.706,1128 5.669,1129 24,1130 2.753,1131 14.195,1132 17.718,1133 0.054,1134 28.934,1135 12.612,1136 1.143,1137 4.198,1138 25.78,1139 2.641,1140 15.269,1141 19.102,1142 17.29,1143 31.155,1144 13.593,1145 1,1146 2.67,1147 27.566,1148 1.904,1149 16.29,1150 20.358,1151 0.035,1152 33.357,1153 14.453,1154 4198,1155 7550,1156 15.197,1157 25.949,1158 32.502,1159 35.268,1160 32.631,1161 32.366,1162 32.249,1163 40.294,1164 9.865,1165 86.55,1166 28.318,1167 5.21,1168 6.435,1169 5.983,1170 4.953,1171 4.921,1172 6.788,1173 6.545,1174 15.49,1175 4.567,1176 5.788,1177 1.477,1178 1.603,1179 1.483,1180 1.471,1181 1.466,1182 1.832,1183 0.448,1184 3.934,1185 1.287,1186 3.934,1187 3.961,1188 4.244,1189 3.913,1190 4.94,1191 3.863,1192 3.852,1193 3.879,1194 4.047,1195 3.806,1196 4.825,1197 3.76,1198 3.647,1199 3.685,1200 3.705,1201 3.477,1202 4.584,1203 3.475,1204 3.111,1205 3.206,1206 3.569,1207 3.15,1208 4.306,1209 3.015,1210 3.097,1211 3.12,1212 3.095,1213 2.941,1214 3.777,1215 2.91,1216 2.854,1217 2.925,1218 2.866,1219 2.735,1220 3.674,1221 2.715,1222 2.824,1223 2.871,1224 2.687,1225 2.693,1226 3.474,1227 2.66,1228 2.675,1229 2.735,1230 2.676,1231 2.437,1232 3.471,1233 2.434,1234 0.191,1235 0.202,1236 0.281,1237 0.173,1238 0.133,1239 4.21,1240 0.172,1241 4.435,1242 0.149,1243 6.181,1244 0.419,1245 3.8,1246 0.117,1247 2.921,1248 3.788,1249 3.272,1250 9.223,1251 2.567,1252 1.874,1253 1.858,1254 1.939,1255 1.952,1256 1.198,1257 1.953,1258 1.708,1259 1.653,1260 1.911,1261 1.923,1262 1.09,1263 1.943,1264 1.508,1265 1.481,1266 1.611,1267 1.62,1268 0.882,1269 1.646,1270 1.153,1271 1.153,1272 1.513,1273 1.376,1274 0.825,1275 1.429,1276 1.153,1277 1.064,1278 1.181,1279 1.274,1280 0.441,1281 1.306,1282 0.886,1283 0.873,1284 1.136,1285 1.062,1286 0.232,1287 1.107,1288 0.886,1289 0.821,1290 1.012,1291 0.977,1292 0.218,1293 1.055,1294 0.638,1295 0.565,1296 0.879,1297 0.866,1298 0.067,1299 0.911,1300 3.807,1302 5.081,1303 2.398,1304 6.541,1305 4.595,1306 8.076,1307 6.581,1308 9.649,1311 5.883,1315 4.375,1318 5.363,1319 1.785,1321 2.296,1326 23.647,1327 63.619,1328 122.696,1329 145.525,1330 149.525,1331 149.525,1332 149.525,1333 22.644,1334 6.555,1335 25.36,1336 78.9,1337 17,1338 11.895,1339 3.585,1340 2.7,1341 30.237,1342 70,1343 66,1344 0.211,1345 156.426,1346 261.7,1347 373.439,1348 5811,1349 2.9,1350 13.786,1351 0.689,1352 0.665,1353 14.993,1354 13.308,1355 9.81,1356 0.446,1357 0.396,1358 6.576,1359 8.279,1360 6.23,1361 5.083,1362 11.007,1363 8.709,1364 8.54,1365 0.294,1366 0.234,1367 10.077,1368 6.785,1369 7.017,1370 0.195,1371 0.146,1372 8.724,1373 5.269,1374 5.499,1375 0.125,1376 0.088,1377 7.099,1378 3.852,1379 4.385,1380 0.084,1381 0.054,1382 6.015,1383 2.827,1384 0.337,1385 73.099,1386 0.257,1387 20.423,1388 0.556,1389 102,1390 298.95,1391 170.599,1392 356.116,1393 472.96,1394 336,1395 116,1396 284.59,1397 172.495,1398 324.37,1399 473.98,1400 304,1401 4.286}
{0 CHEMBL1577355,1 1.531,2 11.545,3 2.736,4 7.484,5 82.33,6 8.036,7 0.522,8 3.702,9 3.792,10 3.307,11 3.254,12 4.973,13 3.254,14 4.136,15 4.25,16 3.592,17 3.551,18 5.541,19 3.531,20 4.363,21 4.536,22 3.526,23 3.601,24 5.563,25 3.55,26 4.341,27 4.547,28 3.385,29 3.481,30 5.476,31 3.418,32 4.234,33 4.433,34 3.424,35 3.414,36 5.703,37 3.357,38 4.096,39 4.279,40 3.23,41 3.382,42 5.265,43 3.314,44 4.047,45 4.24,46 3.221,47 3.324,48 5.276,49 3.247,50 4.024,51 4.237,52 3.036,53 3.134,54 5.229,55 3.062,56 0.083,57 0.469,58 6.374,59 3.365,60 11.641,61 3.763,62 0.267,63 0.702,64 10.895,65 5.204,66 32.488,67 6.072,68 0.322,69 0.857,70 16.07,71 6.38,72 41.494,73 7.611,74 0.353,75 0.815,76 17.198,77 6.298,78 43.416,79 7.825,80 0.555,81 0.716,82 15.649,83 5.797,84 84.276,85 7.509,86 0.269,87 0.642,88 12.688,89 5.155,90 41.726,91 6.218,92 0.23,93 0.629,94 11.71,95 4.987,96 20.678,97 6.494,98 0.245,99 0.58,100 12.717,101 4.703,102 36.287,103 5.945,104 15,105 29,106 0.276,107 0.585,108 0.727,109 0.837,110 0.85,111 0.85,112 3.144,113 0.864,114 -3.58,115 -3.55,116 -3.39,120 45.9,126 1,136 2,143 9,144 1,145 2,159 2,168 1,172 1,174 9,175 1,177 5,180 2,182 4,185 8,186 1,189 6,194 4,197 5,201 4,202 1,207 1,209 4,213 1,214 3,217 3,218 1,222 10,235 10,236 2,239 1,240 3,245 3,247 6,248 2,252 3,257 4,260 2,264 1,265 1,269 2,271 1,274 636,275 14.706,276 14.706,277 14.706,278 14.706,279 14.706,280 12.764,281 17.342,282 9.132,283 14.86,284 11.382,285 11.382,286 11.382,287 11.382,288 11.382,289 8.448,290 21.655,291 4.426,292 11.624,293 3.678,294 1.962,295 1.17,296 0.561,297 0.486,298 0.486,299 3.81,305 1,306 1,307 1,308 521,309 3.536,313 167.55,320 2.132,321 24.682,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 48.5,333 254,334 4.077,335 3.514,336 5.565,337 3.681,338 2.712,339 3.656,340 1.437,341 7.611,342 2.625,343 3.9,344 3.428,345 5.373,346 3.52,347 2.537,348 3.441,349 1.151,350 7.062,351 2.496,352 3.8,353 2.995,354 5.204,355 3.375,356 2.38,357 3.123,358 1.058,359 6.587,360 2.357,361 3.544,362 2.654,363 4.836,364 3.155,365 2.174,366 2.792,368 5.566,369 2.11,370 3.302,371 2.355,372 4.521,373 2.888,374 1.888,375 2.488,377 4.795,378 1.861,379 2.915,380 1.641,381 3.638,382 2.483,383 1.492,384 2.084,386 3.148,387 1.477,388 2.5,389 1.114,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1.088,399 3.247,400 2,401 1,402 1.5,404 2.136,405 1,406 2.305,407 1,408 3.161,409 1.63,410 0.717,411 0.891,413 1.655,414 0.645,415 1.899,416 1,417 2.923,418 1.494,419 0.503,420 0.739,422 1.109,423 0.491,424 1.288,425 0.581,426 2.379,427 0.927,428 -0.053,429 -0.067,431 -0.124,432 -0.051,433 0.801,434 0.416,435 2.139,436 0.429,437 -0.547,438 -0.676,440 -1.308,441 -0.529,442 0.578,443 -0.038,444 2,445 0.115,446 -0.887,447 -1.066,449 -2,450 -0.848,451 0.509,452 -0.439,453 1.604,454 0.083,455 -1,456 -1.26,458 -2.031,459 -0.933,460 0.5,461 -0.683,462 1.555,464 -1,465 -1.5,467 -2.347,468 -1,469 10.233,470 0.465,471 0.455,472 0.021,473 30.75,474 1.398,475 17.5,476 0.795,477 13.25,478 0.602,479 12.289,480 0.559,481 23.367,482 0.632,483 21.879,484 0.994,485 6.666,486 0.303,487 3.965,488 0.18,489 0.098,491 0.244,496 0.791,497 1.078,498 0.749,499 0.982,500 0.697,501 0.875,502 0.7,503 1.225,504 0.899,505 1.168,506 0.469,507 1.104,508 1.078,509 1.145,510 1.126,511 1.115,512 0.908,513 1.124,514 1.074,515 1.012,516 1.05,517 1.007,518 0.831,519 1.014,520 0.593,521 0.742,522 0.786,523 0.814,524 0.605,525 0.85,526 1.013,527 0.898,528 1.069,529 0.93,530 1.042,531 0.999,532 0.483,533 1.101,534 0.883,535 1.145,536 0.476,537 1.114,538 1.017,539 1.096,540 0.998,541 1.067,542 1.034,543 1.04,544 4.5,545 0.07,546 1.556,547 0.563,548 0.933,549 0.354,550 0.264,551 0.248,552 0.127,553 0.121,554 5531,555 18890,556 1.995,557 40.5,559 13,562 2,567 1.636,568 1.886,569 3.5,570 0.304,571 1,572 1,574 1,575 56.66,576 1.531,577 3.248,578 4.04,579 4.649,580 4.723,581 4.723,582 2.959,583 3.049,584 4.426,585 3.689,586 852.129,587 7.561,588 10139.2,589 1,590 1,591 1,592 1,593 192.75,594 1.293,595 4.398,596 0.196,597 0.006,598 0.054,599 0.022,600 0.042,601 0.015,602 0.013,603 0.013,604 0.008,605 0.011,606 0.381,607 0.5,608 1,609 1.608,610 105.166,611 -0.086,612 0.005,613 -0.002,614 0.025,615 -0.11,616 0.033,617 0.128,618 -0.187,619 -0.077,620 -0.179,621 0.183,622 -0.184,623 -0.16,624 -0.141,625 -0.192,626 -0.151,627 -0.11,628 -0.172,629 -0.126,630 -0.043,631 -0.045,632 -0.044,633 -0.061,634 -0.026,635 0.385,636 0.215,637 0.227,638 0.163,639 0.387,640 0.149,641 -0.155,642 0.07,643 -0.131,644 0.064,645 -0.174,646 -0.009,647 0.176,648 -0.117,649 0.035,650 -0.15,651 0.133,652 -0.1,653 -0.077,654 -0.164,655 0.024,656 -0.093,657 -0.06,658 -0.029,659 2.834,660 4.42,661 0.545,662 23.355,663 1.016,664 1.115,665 2.352,666 5.532,667 0.68,668 3.178,669 3.401,670 3.497,671 3.638,672 3.829,673 3.664,674 3.761,675 3.807,676 3.807,677 3.85,678 6.862,679 0.664,680 297.33,681 3.178,682 4.654,683 5.425,684 6.236,685 7.026,686 7.838,687 8.636,688 9.449,689 10.253,690 11.067,691 2.7,698 1,709 9,714 3,716 12,735 1,738 37,739 15,740 2,741 23,743 38,744 17,745 12,746 3,747 9,748 4,752 2,753 2,768 16,769 1,772 3,778 2,780 2,782 2,785 1,786 1,789 15,790 5,791 2,792 5,797 1,803 1,804 4,823 2,838 1,840 1,845 2,853 1,855 2,862 22,868 1,869 1,871 1,872 1,886 10.8,888 1,889 2,891 1,893 11.667,894 6.367,895 5,896 1.953,898 2.511,899 1.395,900 0.926,901 5.748,902 8.861,903 3.497,904 3.989,905 4.407,906 4.824,907 5.333,908 5.149,909 5.448,910 5.768,911 6.035,912 6.345,913 0.875,914 26,915 8.063,917 3.288,918 8.129,919 14.799,921 11.246,924 2.629,925 57.833,929 153.024,930 125.631,931 18.011,933 103.973,936 125.631,937 256.997,938 18.011,940 22.603,941 104.239,942 98.588,943 22.186,945 153.024,947 153.024,948 143.642,949 103.973,952 153.024,953 103.973,956 22.603,957 102.087,958 18.952,960 153.024,961 121.984,962 125.631,965 153.024,966 21.393,967 104.239,968 18.011,969 103.973,970 153.024,971 121.984,972 125.631,973 0.56,974 0.289,975 0.143,976 0.085,977 11,978 5,979 0.158,980 6,982 1,983 3.608,984 148.505,986 12,987 90.107,993 15.798,994 8.005,995 5.754,997 121.984,998 16.634,1003 2.314,1005 60.694,1006 400.64,1007 32,1013 21.726,1015 1.745,1017 -1.667,1020 37.596,1021 41.242,1022 0.294,1023 0.623,1024 0.775,1025 0.892,1026 0.907,1027 0.907,1028 4.663,1029 1,1030 5.352,1031 2.275,1032 4.078,1033 4.673,1034 2.304,1035 5.989,1036 4.036,1037 5.83,1038 0.717,1039 6.801,1040 2.136,1041 3.434,1042 4.182,1044 6.503,1045 3.382,1046 7.081,1047 0.503,1048 8.337,1049 1.655,1050 5.509,1051 6.709,1052 2.743,1053 9.468,1054 5.421,1055 8.36,1056 -0.053,1057 9.92,1058 1.109,1059 5.602,1060 6.934,1062 10.745,1063 5.494,1064 9.662,1065 -0.547,1066 11.533,1067 -0.124,1068 7.152,1069 8.959,1070 3.26,1071 13.182,1072 7.017,1073 10.979,1074 -0.887,1075 13.165,1076 -1.308,1077 7.609,1078 9.539,1080 14.801,1081 7.445,1082 12.308,1083 -1,1084 14.811,1085 -2,1086 8.902,1087 11.315,1088 3.842,1089 17.013,1090 8.716,1091 2.712,1092 -1,1093 16.465,1094 -2.031,1095 9.567,1096 12.11,1098 18.81,1099 9.347,1100 2.537,1101 7.611,1102 18.127,1103 -2.347,1104 10.717,1105 13.732,1106 4.473,1107 20.914,1108 10.478,1109 2.38,1110 7.062,1111 19.795,1112 3.656,1113 11.508,1114 14.671,1116 22.807,1117 11.231,1118 2.174,1119 6.587,1120 21.467,1121 3.441,1122 12.578,1123 16.19,1124 5.138,1125 24.859,1126 12.282,1127 1.888,1128 5.566,1129 23.142,1130 3.123,1131 13.444,1132 17.23,1134 26.804,1135 13.109,1136 1.492,1137 4.795,1138 24.82,1139 2.792,1140 14.471,1141 18.678,1142 5.826,1143 28.832,1144 14.114,1145 1,1146 3.148,1147 26.501,1148 2.488,1149 15.383,1150 19.789,1152 30.806,1153 14.987,1154 5571,1155 10423,1156 15.197,1157 25.154,1158 33.658,1159 34.327,1160 33.331,1161 32.802,1162 32.808,1163 44.428,1164 7.292,1165 83.887,1166 32.124,1167 4.907,1168 5.514,1169 5.367,1170 4.732,1171 4.712,1172 6.656,1173 2.873,1174 13.094,1175 4.625,1176 10.627,1177 1.463,1178 1.492,1179 1.449,1180 1.426,1181 1.426,1182 1.932,1183 0.317,1184 3.647,1185 1.397,1186 3.958,1187 3.983,1188 3.897,1189 3.874,1190 7.477,1191 3.873,1192 3.867,1193 3.899,1194 3.799,1195 3.8,1196 7.429,1197 3.797,1198 3.677,1199 3.688,1200 3.623,1201 3.522,1202 6.351,1203 3.541,1204 3.306,1205 3.325,1206 3.253,1207 3.06,1208 4.883,1209 3.084,1210 3.175,1211 3.203,1212 3.065,1213 2.918,1214 4.721,1215 2.962,1216 2.854,1217 2.925,1218 2.726,1219 2.735,1220 4.334,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.12,1227 2.715,1228 2.825,1229 2.862,1230 2.687,1231 2.63,1232 3.711,1233 2.658,1234 0.177,1235 0.153,1236 0.242,1237 0.16,1238 0.118,1239 4.077,1240 0.159,1241 3.514,1242 0.062,1243 5.565,1244 0.331,1245 3.681,1246 0.114,1247 2.712,1248 3.656,1249 1.437,1250 7.611,1251 2.625,1252 1.919,1253 1.894,1254 2.041,1255 2.025,1256 1.14,1257 2.027,1258 1.866,1259 1.838,1260 1.978,1261 1.961,1262 1.055,1263 1.97,1264 1.602,1265 1.585,1266 1.727,1267 1.785,1268 0.697,1269 1.761,1270 1.201,1271 1.16,1272 1.45,1273 1.474,1274 0.606,1275 1.446,1276 1.047,1277 1.026,1278 1.197,1279 1.358,1280 0.218,1281 1.32,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.177,1293 1.107,1294 0.74,1295 0.72,1296 0.941,1297 1.017,1299 1.001,1300 3.85,1302 5.094,1304 6.509,1306 7.997,1308 9.522,1314 8.435,1315 0.466,1317 2.554,1318 5.627,1326 24.568,1327 56.66,1328 120.167,1329 149.466,1330 171.995,1331 174.75,1332 174.75,1333 41.459,1334 6.351,1335 75.63,1336 75.63,1337 12,1338 11.655,1339 4,1340 3.322,1341 42.657,1342 93,1343 76,1344 0.229,1345 155.486,1346 278.54,1347 371.146,1348 4494,1350 15.786,1351 0.718,1352 0.533,1353 15.786,1354 11.73,1355 10.631,1356 0.462,1357 0.288,1358 6.528,1359 10.217,1360 6.401,1361 5.348,1362 10.631,1363 6.621,1364 9.28,1365 0.32,1366 0.154,1367 9.28,1368 4.459,1369 6.647,1370 0.208,1371 0.086,1372 6.647,1373 2.747,1374 5.008,1375 0.135,1376 0.046,1377 5.008,1378 1.706,1379 4.196,1380 0.093,1381 0.025,1382 4.196,1383 1.113,1384 0.374,1385 66.835,1386 0.257,1387 22.605,1388 0.588,1389 104,1390 377.689,1391 116.239,1392 359.067,1393 467.41,1394 332,1395 113,1396 321.011,1397 122.805,1398 323.92,1399 459.82,1400 303,1401 4.508}
{0 CHEMBL1577495,1 1.875,2 8.65,3 4.547,4 20.675,5 83.333,6 12.501,7 0.571,8 3.457,9 3.526,10 3.45,11 3.17,12 4.723,13 3.142,14 3.918,15 4.013,16 3.903,17 3.531,18 5.268,19 3.486,20 4.15,21 4.266,22 4.266,23 3.683,24 5.529,25 3.6,26 4.134,27 4.271,28 4.319,29 3.494,30 5.75,31 3.421,32 3.873,33 4.039,34 3.745,35 3.227,36 5.279,37 3.152,38 3.775,39 3.914,40 3.482,41 3.163,42 5.205,43 3.085,44 3.575,45 3.667,46 3.469,47 3.156,48 4.951,49 3.066,50 3.566,51 3.664,52 3.478,53 3.138,54 4.931,55 3.011,56 0.14,57 0.345,58 0.759,59 1.61,60 11.741,61 1.735,62 0.303,63 0.526,64 2.746,65 2.939,66 23.291,67 3.117,68 0.483,69 0.607,70 14.883,71 4.835,72 48.744,73 5.317,74 0.732,75 0.587,76 21.989,77 5.337,78 76.554,79 5.162,80 0.453,81 0.472,82 16.555,83 4.28,84 45.237,85 4.569,86 0.451,87 0.394,88 15.109,89 3.824,90 50.293,91 3.588,92 0.275,93 0.312,94 7.814,95 2.685,96 29.215,97 2.696,98 0.312,99 0.289,100 12.33,101 2.838,102 28.24,103 2.632,104 26,105 29,106 0.363,107 0.673,108 0.762,109 0.842,110 0.861,111 0.861,112 3.057,113 1.005,114 -4.66,115 -4.58,116 -4.31,120 46.4,126 1,143 5,144 2,145 2,148 2,159 1,174 6,177 4,180 1,182 2,185 8,189 1,194 2,197 6,200 1,201 4,204 1,206 4,209 5,214 3,219 2,222 3,227 4,232 1,235 4,240 3,247 6,252 2,260 7,264 1,271 6,274 486,275 13.035,276 13.035,277 13.035,278 13.035,279 13.035,280 11.23,281 12.08,282 7.637,283 13.566,284 10.282,285 10.282,286 10.282,287 10.282,288 10.282,289 7.67,290 13.756,291 3.583,292 11.398,293 2.932,294 1.329,295 0.87,296 0.456,297 0.357,298 0.357,299 3.708,303 2,304 2,306 1,307 1,308 356,309 2.828,313 141.667,320 1.22,321 26.107,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 43.333,333 173,334 4.575,335 3.746,336 6.835,337 4.121,338 3.211,339 4.302,340 1.081,341 11.122,342 2.918,343 3.921,344 3.374,345 5.96,346 3.536,347 2.577,348 3.449,349 0.473,350 7.997,351 2.501,352 3.83,353 2.808,354 5.347,355 3.381,356 2.457,357 3.231,359 6.97,360 2.122,361 3.362,362 2.714,363 5.084,364 2.812,365 2.003,366 2.645,368 5.715,369 1.568,370 3.114,371 2.634,372 4.74,373 2.642,374 1.754,375 2.25,377 4.713,378 1.47,379 2.897,380 1.805,381 3.641,382 2.44,383 1.456,384 2.041,386 3.109,387 1.354,388 2.5,389 1.646,390 3.343,391 2,392 1,393 1.5,395 2.136,396 1,397 1.799,398 1.071,399 3.247,400 1.511,401 0.611,402 0.69,404 1.442,405 0.513,406 1.657,407 1,408 3.136,409 1.09,410 0.443,411 0.501,413 0.996,414 0.234,415 1.266,416 0.875,417 2.767,418 0.732,419 -0.098,420 -0.123,422 -0.249,423 -0.068,424 0.789,425 0.254,426 2.14,427 0.402,428 -0.578,429 -0.661,431 -1.314,432 -0.297,433 0.564,434 -0.069,435 1.734,437 -0.626,438 -0.819,440 -1.368,441 -0.612,442 0.5,443 -0.411,444 1.625,445 -0.007,446 -1,447 -1.46,449 -2.347,450 -0.676,451 0.154,452 -0.76,453 1.555,454 -0.223,455 -1.222,456 -1.5,458 -2.97,459 -1,460 -0.128,461 -1,462 1.395,463 -0.675,464 -1.282,465 -1.644,467 -3.151,468 -1.068,469 10.49,470 0.525,471 0.583,472 0.029,473 26.25,474 1.313,475 13.5,476 0.675,477 12.75,478 0.638,479 15.901,480 0.795,481 20.71,482 0.74,483 17.089,484 0.854,485 5.303,486 0.265,487 4.2,488 0.21,489 0.304,491 0.334,496 0.636,497 1.154,498 0.475,499 0.621,500 0.582,501 0.648,502 0.588,503 1.099,504 0.579,505 0.763,506 0.602,507 0.807,508 0.755,509 1.274,510 0.594,511 0.834,512 0.884,513 0.873,514 0.65,515 0.973,516 0.557,517 0.878,518 0.987,519 0.864,520 0.758,521 0.992,522 0.663,523 0.932,524 0.864,525 0.905,526 1.224,527 0.707,528 1.129,529 1.065,530 1.431,531 1.032,532 1.252,533 1,534 1.116,535 0.968,536 1.313,537 1.015,538 1.522,539 0.917,540 1.694,541 1.198,542 1.166,543 1.211,544 4,545 0.037,546 2.667,547 1.875,548 1.267,549 0.521,550 0.347,551 0.247,552 0.173,553 0.113,554 3501,555 16150,556 1.938,557 28.6,559 7,562 1,567 1.617,568 1.765,569 3.071,570 -0.173,575 52.5,576 1.875,577 3.478,578 3.937,579 4.352,580 4.45,581 4.45,582 2.471,583 3.446,584 4.296,585 3.21,586 609.854,587 7.336,588 6257.2,590 1,593 134.606,594 1.559,595 4.219,596 0.19,597 0.009,598 0.092,599 0.06,600 0.049,601 0.027,602 0.02,603 0.015,604 0.012,605 0.011,606 0.486,607 0.67,608 1,609 0.716,610 88.556,611 -0.067,612 -0.07,613 -0.007,614 0.019,615 -0.068,616 0.02,617 0.106,618 -0.02,619 0.035,620 -0.015,621 0.039,622 -0.036,623 0.131,624 -0.321,625 0.28,626 0.1,627 0.023,628 0.088,629 0.504,630 0.035,631 0.454,632 0.178,633 0.342,634 0.172,635 0.195,636 0.003,637 0.229,638 0.113,639 0.201,640 0.203,641 -0.143,642 0.252,643 -0.18,644 -0.03,645 -0.126,646 0.004,647 -0.298,648 -0.105,649 -0.208,650 -0.048,651 -0.254,652 -0.107,653 -0.491,654 -0.015,655 -0.481,656 -0.204,657 -0.339,658 -0.267,659 2.13,660 5.101,661 0.6,662 13.7,663 1.044,664 1.109,665 3.433,666 11.784,667 0.811,668 3.091,669 3.401,670 3.638,671 3.807,672 3.892,673 3.784,674 3.638,675 3.584,676 3.584,677 3.555,678 5.152,679 0.775,680 350.03,681 3.091,682 4.615,683 5.451,684 6.315,685 7.166,686 8.036,687 8.894,688 9.767,689 10.629,690 11.505,691 7.1,698 1,701 1,709 5,710 1,714 6,716 12,723 1,737 4,738 28,739 13,740 1,741 21,743 29,744 13,745 11,746 1,747 5,748 1,752 2,753 2,754 4,768 12,769 1,772 1,778 1,782 1,786 1,789 8,790 3,791 1,792 7,793 4,797 2,803 1,804 1,816 1,823 2,855 2,860 4,862 20,869 1,871 1,885 4,886 3.6,889 1,893 11.333,894 5.105,895 4.472,896 1.521,898 2.136,899 1.347,900 0.967,901 5.238,902 8.293,903 3.367,904 3.97,905 4.505,906 4.992,907 5.412,908 5.389,909 5.296,910 5.348,911 5.538,912 5.815,913 0.833,914 31,915 7.333,917 3.11,918 8.106,919 13.335,921 10.45,924 2.606,925 52.111,929 82.398,930 73.708,931 34.796,932 156.595,933 25.145,936 73.708,937 264.137,938 34.796,940 20.116,941 47.381,942 46.635,943 13.372,944 84.441,945 82.398,946 78.297,947 82.398,948 108.504,949 25.145,950 156.595,952 82.398,953 25.145,956 20.116,957 71.602,958 95.083,959 78.297,960 82.398,961 59.941,962 230.302,965 82.398,966 26.326,967 47.381,968 18.011,969 198.525,970 82.398,971 59.941,972 230.302,973 0.585,974 0.351,975 0.178,976 0.085,977 13,978 7,979 0.103,980 3,982 1,983 3.144,984 142.316,986 12,987 82.439,993 15.543,994 6.741,995 3.637,997 59.941,998 9.416,999 3.764,1003 0.82,1005 18.011,1006 372.641,1007 28,1013 12.101,1017 -0.463,1020 29.244,1021 31.058,1022 0.39,1023 0.723,1024 0.819,1025 0.905,1026 0.926,1027 0.926,1028 4.585,1029 0.611,1030 5.451,1031 2.136,1032 4.078,1033 4.654,1034 1.331,1035 6.263,1036 3.876,1037 5.81,1038 0.443,1039 7.027,1040 1.442,1041 3.761,1042 4.543,1044 7.217,1045 3.353,1046 7.126,1047 -0.098,1048 8.709,1049 0.996,1050 5.673,1051 6.858,1052 1.343,1053 10.331,1054 5.326,1055 8.479,1056 -0.578,1057 10.451,1058 -0.249,1059 6.155,1060 7.527,1062 12.111,1063 5.604,1064 9.863,1065 -0.626,1066 12.232,1067 -1.314,1068 7.578,1069 9.358,1070 1.438,1071 14.78,1072 7.072,1073 11.27,1074 -1,1075 14.04,1076 -1.368,1077 8.423,1078 10.399,1080 16.911,1081 7.739,1082 12.695,1083 -1.222,1084 15.869,1085 -2.347,1086 9.667,1087 12.029,1088 1.555,1089 19.423,1090 8.981,1091 3.211,1092 -1.282,1093 17.714,1094 -2.97,1095 10.682,1096 13.265,1098 21.709,1099 9.844,1100 2.577,1101 11.122,1102 19.572,1103 -3.151,1104 11.862,1105 14.801,1106 1.679,1107 24.16,1108 10.982,1109 2.457,1110 7.997,1111 21.441,1112 4.302,1113 12.955,1114 16.141,1116 26.514,1117 11.944,1118 2.003,1119 6.97,1120 23.318,1121 3.449,1122 14.116,1123 17.634,1124 1.807,1125 28.94,1126 13.036,1127 1.754,1128 5.715,1129 25.202,1130 3.231,1131 15.245,1132 19.029,1134 31.325,1135 14.048,1136 1.456,1137 4.713,1138 27.093,1139 2.645,1140 16.402,1141 20.501,1142 1.939,1143 33.741,1144 15.121,1145 1,1146 3.109,1147 28.988,1148 2.25,1149 17.549,1150 21.926,1152 36.139,1153 16.159,1154 3578,1155 7888,1156 13.235,1157 22.705,1158 31.307,1159 33.709,1160 32.962,1161 31.294,1162 31.021,1163 41.214,1164 3.107,1165 88.403,1166 27.361,1167 5.448,1168 5.746,1169 6.637,1170 5.162,1171 5.211,1172 7.302,1173 2.162,1174 18.628,1175 4.918,1176 11.664,1177 1.491,1178 1.605,1179 1.57,1180 1.49,1181 1.477,1182 1.963,1183 0.148,1184 4.21,1185 1.303,1186 3.952,1187 3.976,1188 4.236,1189 3.876,1190 7.429,1191 3.875,1192 3.872,1193 3.887,1194 3.838,1195 3.815,1196 5.189,1197 3.809,1198 3.416,1199 3.469,1200 3.686,1201 3.205,1202 4.755,1203 3.224,1204 3.039,1205 3.058,1206 3.593,1207 2.944,1208 4.72,1209 2.927,1210 2.854,1211 2.925,1212 3.326,1213 2.735,1214 4.633,1215 2.715,1216 2.838,1217 2.834,1218 3.262,1219 2.721,1220 4.393,1221 2.711,1222 2.648,1223 2.681,1224 2.885,1225 2.508,1226 4.046,1227 2.501,1228 2.418,1229 2.453,1230 2.687,1231 2.17,1232 3.707,1233 2.165,1234 0.218,1235 0.178,1236 0.325,1237 0.196,1238 0.153,1239 4.575,1240 0.205,1241 3.746,1242 0.051,1243 6.835,1244 0.53,1245 4.121,1246 0.139,1247 3.211,1248 4.302,1249 1.081,1250 11.122,1251 2.918,1252 1.914,1253 1.885,1254 2.041,1255 2.01,1256 1.153,1257 2.021,1258 1.809,1259 1.805,1260 1.752,1261 1.895,1262 0.935,1263 1.884,1264 1.323,1265 1.268,1266 1.517,1267 1.569,1268 0.671,1269 1.56,1270 0.972,1271 0.96,1272 1.181,1273 1.151,1274 0.218,1275 1.137,1276 0.886,1277 0.821,1278 1.048,1279 1.062,1280 0.09,1281 1.107,1282 0.667,1283 0.66,1284 0.85,1285 0.79,1287 0.828,1288 0.564,1289 0.515,1290 0.506,1291 0.765,1293 0.767,1294 0.302,1295 0.271,1296 0.422,1297 0.536,1299 0.56,1300 3.761,1302 5.069,1304 6.581,1306 8.188,1308 9.847,1311 23.439,1315 0.34,1317 2.694,1326 21.702,1327 52.5,1328 97.387,1329 110.241,1330 121.851,1331 124.606,1332 124.606,1333 43.59,1334 6.157,1335 41.99,1336 41.99,1337 12,1338 12.047,1339 3.807,1340 3,1341 36.458,1342 61,1343 60,1344 0.297,1345 151.109,1346 260.09,1347 360.465,1348 3132,1349 14.3,1350 14.698,1351 0.735,1352 0.649,1353 16.698,1354 12.985,1355 9.503,1356 0.453,1357 0.335,1358 5.596,1359 8.234,1360 5.348,1361 4.398,1362 10.658,1363 7.037,1364 8.545,1365 0.295,1366 0.184,1367 9.953,1368 5.337,1369 7.147,1370 0.193,1371 0.108,1372 9.007,1373 4.005,1374 5.591,1375 0.127,1376 0.057,1377 7.258,1378 2.527,1379 3.772,1380 0.079,1381 0.029,1382 4.643,1383 1.387,1384 0.458,1385 71.159,1386 0.275,1387 19.907,1388 0.831,1389 100,1390 364.527,1391 169.367,1392 473.585,1393 591.36,1394 434,1395 116,1396 327.594,1397 180.511,1398 372.837,1399 549.89,1400 348,1401 4.238}
{0 CHEMBL1578088,1 1.477,2 13.742,3 5.396,4 29.118,5 121.441,6 7.343,7 0.545,8 4.12,9 4.228,10 3.654,11 3.67,12 5.305,13 3.645,14 4.597,15 4.753,16 3.981,17 4.028,18 5.723,19 3.985,20 4.846,21 5.012,22 4.095,23 4.153,24 6.083,25 4.095,26 4.973,27 5.19,28 3.966,29 4.082,30 6.104,31 4.002,32 4.887,33 5.121,34 3.776,35 3.987,36 5.921,37 3.888,38 4.71,39 4.94,40 3.752,41 3.982,42 5.693,43 3.872,44 4.794,45 5.025,46 3.801,47 4.019,48 5.933,49 3.905,50 4.767,51 5.007,52 3.72,53 3.98,54 5.87,55 3.853,56 0.081,57 0.754,58 11.682,59 5.494,60 15.292,61 6.794,62 0.157,63 1.164,64 20.249,65 8.777,66 24.406,67 11.36,68 0.283,69 1.438,70 26.849,71 10.991,72 59.529,73 14.284,74 0.431,75 1.546,76 33.446,77 11.649,78 75.826,79 15.472,80 0.633,81 1.418,82 31.744,83 10.312,84 76.735,85 13.856,86 0.222,87 1.27,88 24.59,89 9.769,90 36.55,91 13.607,92 0.494,93 1.313,94 27.648,95 10.725,96 77.471,97 14.731,98 0.354,99 1.274,100 26.882,101 10.7,102 66.284,103 14.78,104 38,105 45,106 0.241,107 0.574,108 0.739,109 0.829,110 0.859,111 0.859,112 3.471,113 0.91,114 -4.97,115 -4.88,116 -4.57,120 43.9,121 3,123 1,126 1,143 10,144 5,145 3,156 1,159 1,170 1,174 17,177 5,180 1,182 3,185 18,188 1,189 9,193 1,194 7,197 11,201 11,204 1,206 5,209 8,214 6,217 1,218 1,219 2,222 11,227 2,231 1,232 1,235 19,239 1,240 1,243 2,245 1,247 21,251 1,252 1,255 1,257 3,260 17,264 2,269 6,271 9,274 1668,275 20.482,276 20.482,277 20.482,278 20.482,279 20.482,280 17.876,281 21.01,282 12.025,283 20.697,284 16.207,285 16.207,286 16.207,287 16.207,288 16.207,289 12.306,290 19.649,291 5.643,292 16.563,293 4.356,294 2.312,295 1.302,296 0.755,297 0.566,298 0.566,299 4.15,306 1,307 1,308 893,309 3.873,313 362.339,320 2.493,321 32.746,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 67,333 426,334 4.331,335 3.552,336 6.421,337 3.974,338 2.995,339 4.005,340 1.151,341 9.823,342 2.932,343 4.32,344 3.282,345 6.335,346 3.915,347 2.949,348 3.942,349 0.98,350 9.396,351 2.851,352 4.186,353 3.152,354 6.029,355 3.824,356 2.818,357 3.767,359 8.588,360 2.823,361 3.729,362 2.799,363 5.323,364 3.389,365 2.398,366 3.075,368 6.871,369 2.373,370 3.55,371 2.488,372 5.127,373 3.252,374 2.252,375 2.858,377 6.151,378 2.251,379 3.406,380 2.297,381 5.031,382 2.978,383 2.016,384 2.68,386 5.676,387 1.931,388 3.063,389 2.233,390 4.695,391 2.767,392 1.822,393 2.191,395 4.891,396 1.71,397 2.928,398 1.914,399 4.214,400 2.523,401 1.538,402 2.038,404 3.923,405 1.508,406 2.866,407 1.703,408 3.881,409 2.393,410 1.414,411 2.005,413 3.185,414 1.38,415 2.613,416 1.524,417 3.697,418 2.15,419 1.154,420 1.5,422 2.717,423 1.148,424 2.5,425 1.224,426 3.414,427 2,428 1,429 1.471,431 2.275,432 1,433 2.462,434 1.035,435 3.386,436 1.981,437 1,438 1.454,440 2.245,441 0.97,442 1.862,443 1,444 3.202,445 1.556,446 0.641,447 0.758,449 1.537,450 0.579,451 1.451,452 0.791,453 2.713,454 1.2,455 0.267,456 0.3,458 0.588,459 0.245,460 1.16,461 0.413,462 2.452,463 0.856,464 -0.124,465 -0.15,467 -0.294,468 -0.12,469 14.633,470 0.472,471 0.826,472 0.027,473 40.75,474 1.315,475 22.5,476 0.726,477 18.25,478 0.589,479 25.148,480 0.811,481 33.367,482 0.585,483 32.37,484 1.044,485 8.255,486 0.266,487 6.591,488 0.213,489 0.171,491 0.342,496 0.844,497 1.013,498 0.838,499 0.994,500 0.844,501 0.929,502 0.767,503 1.043,504 0.808,505 1.003,506 0.612,507 0.927,508 0.864,509 1.292,510 0.979,511 1.256,512 0.762,513 1.16,514 1.276,515 1.166,516 1.074,517 1.092,518 1.061,519 1.058,520 1.409,521 0.853,522 1.155,523 0.802,524 1.03,525 0.912,526 0.545,527 0.996,528 0.904,529 1.018,530 0.582,531 1.014,532 0.584,533 0.857,534 0.887,535 0.929,536 0.785,537 0.954,538 0.542,539 0.929,540 0.88,541 1.005,542 0.659,543 1.004,544 6.5,545 0.206,546 4.222,547 2.125,548 1.569,549 0.938,550 0.57,551 0.455,552 0.308,553 0.249,554 14591,555 39146,556 1.993,557 45.6,558 10,559 12,561 1,562 3,567 1.729,568 1.842,569 3.694,570 0.812,575 84.167,576 1.477,577 3.521,578 4.53,579 5.078,580 5.267,581 5.267,582 3.042,583 4.543,584 4.928,585 3.974,586 1847.8,587 8.566,588 28917.7,593 332.475,594 1.492,595 4.869,596 0.197,597 0.009,598 0.094,599 0.045,600 0.04,601 0.028,602 0.017,603 0.013,604 0.01,605 0.01,606 0.463,607 0.17,608 1,609 0.778,610 166.323,611 -0.042,612 0.12,613 0.011,614 0.066,615 -0.121,616 0.048,617 0.029,618 0.026,619 0.085,620 0.034,621 0.038,622 0.063,623 0.103,624 -0.262,625 -0.048,626 -0.243,627 0.139,628 -0.185,629 -0.084,630 -0.188,631 -0.06,632 -0.135,633 -0.03,634 -0.103,635 -0.166,636 0.138,637 -0.118,638 0.133,639 -0.113,640 0.031,641 0.054,642 0.023,643 0.024,644 -0.017,645 0.046,646 -0.001,647 0.212,648 0.112,649 0.075,650 0.073,651 0.162,652 0.057,653 0.161,654 0.023,655 0.074,656 0.005,657 0.157,658 0.022,659 2.052,660 5.266,661 0.581,662 37.143,663 1.002,664 1.12,665 3.743,666 14.006,667 0.666,668 3.526,669 3.829,670 4.043,671 4.19,672 4.344,673 4.331,674 4.29,675 4.29,676 4.407,677 4.543,678 8.576,679 0.636,680 418.53,681 3.526,682 5.056,683 5.883,684 6.735,685 7.574,686 8.426,687 9.269,688 10.121,689 10.964,690 11.816,691 3.5,698 1,700 1,709 10,714 8,716 18,734 2,735 1,738 57,739 20,740 3,741 33,743 59,744 25,745 18,746 8,747 10,748 2,752 3,753 3,755 1,759 3,768 20,769 5,770 1,772 2,778 1,780 1,781 1,782 1,789 26,790 6,791 3,792 6,797 2,803 1,804 4,823 3,855 3,859 3,862 31,868 2,869 1,871 1,872 1,874 1,886 7,888 2,889 1,891 1,893 16.833,894 10.933,895 6.889,896 3.293,898 3.805,899 1.515,900 0.924,901 7.452,902 11.191,903 3.807,904 4.388,905 4.922,906 5.401,907 5.877,908 5.951,909 6.082,910 6.248,911 6.644,912 7.049,913 0.889,914 47,915 11.442,917 4.775,918 7.882,919 21.492,921 17.04,924 2.382,925 73.833,929 270.735,930 160.754,931 34.551,933 121.512,936 160.754,937 392.247,938 34.551,939 26.476,940 22.481,941 94.762,942 136.035,943 48.834,945 258.964,947 270.735,948 195.305,949 121.512,952 270.735,953 121.512,956 65.619,957 120.638,958 9.047,960 270.735,961 156.063,962 160.754,965 270.735,966 30.468,967 130.286,968 17.888,969 138.175,970 270.735,971 156.063,972 160.754,973 0.583,974 0.338,975 0.165,976 0.085,977 19,978 10,979 0.119,980 7,982 1,983 4.3,984 255.553,986 18,987 147.58,993 22.54,994 10.249,995 5.94,997 156.063,998 17.801,1003 4.327,1005 103.255,1006 587.552,1007 44,1013 12.266,1015 1.267,1016 3.832,1017 -0.385,1020 57.116,1021 63.817,1022 0.253,1023 0.604,1024 0.777,1025 0.871,1026 0.903,1027 0.903,1028 5.027,1029 1.538,1030 5.866,1031 4.891,1032 4.511,1033 5.075,1034 1.717,1035 6.635,1036 4.469,1037 6.236,1038 1.414,1039 7.413,1040 3.923,1041 4.111,1042 4.844,1044 7.486,1045 4.058,1046 7.533,1047 1.154,1048 9.058,1049 3.185,1050 6.075,1051 7.236,1052 1.849,1053 10.524,1054 5.999,1055 8.865,1056 1,1057 10.759,1058 2.717,1059 6.463,1060 7.784,1062 12.178,1063 6.372,1064 10.225,1065 1,1066 12.497,1067 2.275,1068 7.91,1069 9.664,1070 2.004,1071 14.733,1072 7.8,1073 11.605,1074 0.641,1075 14.259,1076 2.245,1077 8.658,1078 10.584,1080 16.719,1081 8.528,1082 13.001,1083 0.267,1084 16.039,1085 1.537,1086 9.894,1087 12.23,1088 2.181,1089 19.097,1090 9.746,1091 2.995,1092 -0.124,1093 17.831,1094 0.588,1095 10.813,1096 13.347,1098 21.231,1099 10.643,1100 2.949,1101 9.823,1102 19.634,1103 -0.294,1104 11.958,1105 14.872,1106 2.378,1107 23.539,1108 11.769,1109 2.818,1110 9.396,1111 21.445,1112 4.005,1113 12.96,1114 16.098,1116 25.739,1117 12.747,1118 2.398,1119 8.588,1120 23.263,1121 3.942,1122 14.066,1123 17.556,1124 2.592,1125 28.019,1126 13.833,1127 2.252,1128 6.871,1129 25.085,1130 3.767,1131 15.108,1132 18.844,1134 30.252,1135 14.851,1136 2.016,1137 6.151,1138 26.912,1139 3.075,1140 16.197,1141 20.265,1142 2.821,1143 32.521,1144 15.92,1145 1.822,1146 5.676,1147 28.742,1148 2.858,1149 17.259,1150 21.589,1152 34.769,1153 16.957,1154 14226,1155 23574,1156 21.383,1157 37.966,1158 49.204,1159 50.464,1160 50.598,1161 48.483,1162 48.528,1163 64.085,1164 4.261,1165 135.731,1166 47.403,1167 5.177,1168 5.552,1169 6.003,1170 5.031,1171 4.995,1172 7.005,1173 2.302,1174 16.492,1175 4.932,1176 18.694,1177 1.491,1178 1.529,1179 1.533,1180 1.469,1181 1.471,1182 1.942,1183 0.129,1184 4.113,1185 1.436,1186 4.005,1187 4.028,1188 3.948,1189 3.93,1190 7.429,1191 3.93,1192 3.925,1193 3.948,1194 3.875,1195 3.855,1196 6.529,1197 3.854,1198 3.897,1199 3.916,1200 3.842,1201 3.831,1202 6.401,1203 3.833,1204 3.532,1205 3.602,1206 3.419,1207 3.41,1208 4.864,1209 3.389,1210 3.476,1211 3.531,1212 3.359,1213 3.234,1214 4.754,1215 3.271,1216 3.241,1217 3.288,1218 3.143,1219 3.047,1220 4.663,1221 3.062,1222 3.079,1223 3.153,1224 2.95,1225 2.902,1226 4.411,1227 2.887,1228 2.989,1229 3.033,1230 2.864,1231 2.781,1232 4.292,1233 2.792,1234 0.131,1235 0.108,1236 0.195,1237 0.12,1238 0.091,1239 4.331,1240 0.121,1241 3.552,1242 0.035,1243 6.421,1244 0.298,1245 3.974,1246 0.089,1247 2.995,1248 4.005,1249 1.151,1250 9.823,1251 2.932,1252 1.958,1253 1.937,1254 2.078,1255 2.053,1256 1.269,1257 2.06,1258 1.912,1259 1.888,1260 2.021,1261 2.006,1262 1.152,1263 2.008,1264 1.881,1265 1.864,1266 1.972,1267 1.974,1268 1.055,1269 1.976,1270 1.562,1271 1.497,1272 1.838,1273 1.733,1274 0.976,1275 1.773,1276 1.356,1277 1.314,1278 1.52,1279 1.641,1280 0.648,1281 1.599,1282 1.182,1283 1.128,1284 1.457,1285 1.428,1286 0.532,1287 1.432,1288 1.093,1289 1.014,1290 1.417,1291 1.309,1292 0.469,1293 1.347,1294 0.934,1295 0.88,1296 1.373,1297 1.239,1298 0.353,1299 1.308,1300 4.205,1302 5.509,1304 7.002,1306 8.579,1308 10.197,1310 6.305,1314 19.215,1315 0.403,1317 2.404,1318 6.032,1320 0.365,1326 36.224,1327 84.167,1328 200.672,1329 258.236,1330 289.455,1331 300.21,1332 300.21,1333 72.878,1334 7.386,1335 91.15,1336 91.15,1337 18,1338 12.374,1339 4.392,1340 3.585,1341 58.739,1342 164,1343 126,1344 0.173,1345 225.771,1346 399.4,1347 542.641,1348 18476,1350 22.38,1351 0.722,1352 0.574,1353 22.38,1354 17.793,1355 14.846,1356 0.45,1357 0.303,1358 9.905,1359 14.385,1360 9.537,1361 8.037,1362 14.846,1363 10.015,1364 13.38,1365 0.297,1366 0.169,1367 13.38,1368 7.596,1369 10.911,1370 0.195,1371 0.086,1372 10.911,1373 4.817,1374 8.265,1375 0.127,1376 0.047,1377 8.265,1378 3.035,1379 6.206,1380 0.082,1381 0.026,1382 6.206,1383 1.953,1384 0.285,1385 92.672,1386 0.216,1387 30.031,1388 0.442,1389 156,1390 467.748,1391 169.073,1392 454.704,1393 611.28,1394 422,1395 179,1396 442.251,1397 192.878,1398 451.737,1399 649.92,1400 422,1401 5.906}
{0 CHEMBL1578101,1 1.697,2 10.444,3 4.612,4 21.266,5 100.495,6 8.183,7 0.533,8 3.965,9 4.096,10 3.608,11 3.429,12 5.103,13 3.448,14 4.551,15 4.743,16 4.078,17 3.819,18 6.097,19 3.838,20 4.73,21 4.942,22 4.097,23 3.985,24 5.924,25 3.956,26 4.856,27 5.084,28 4.071,29 4.046,30 6.081,31 3.99,32 4.865,33 5.106,34 3.837,35 4.038,36 5.837,37 3.918,38 4.96,39 5.272,40 3.715,41 3.91,42 5.87,43 3.758,44 4.667,45 4.981,46 3.558,47 3.572,48 5.632,49 3.501,50 4.297,51 4.522,52 3.531,53 3.294,54 5.701,55 3.347,56 0.161,57 0.952,58 8.069,59 3.948,60 19.539,61 4.873,62 0.926,63 1.786,64 19.01,65 6.201,66 134.216,67 8.24,68 0.776,69 1.625,70 22.54,71 7.446,72 48.357,73 10.816,74 0.842,75 1.813,76 26.983,77 8.931,78 78.554,79 12.744,80 0.55,81 1.633,82 27.442,83 10.745,84 41.846,85 14.85,86 0.945,87 1.467,88 37.839,89 11.123,90 83.987,91 17.117,92 0.74,93 1.212,94 28.606,95 6.983,96 86.12,97 10.63,98 0.734,99 1.187,100 17.533,101 4.706,102 102.032,103 4.518,104 27,105 45,106 0.291,107 0.584,108 0.687,109 0.737,110 0.767,111 0.767,112 3.34,113 0.87,114 -6.27,115 -6.1,116 -5.67,120 39.1,121 2,126 4,133 1,143 5,144 2,145 1,148 1,162 2,167 2,174 7,176 3,177 6,185 6,188 4,189 9,197 6,201 2,209 3,213 3,214 3,226 1,227 5,240 3,247 2,251 2,252 6,260 6,264 5,271 5,274 1016,275 17.764,276 17.764,277 17.764,278 17.764,279 17.764,280 15.866,281 20.911,282 10.044,283 18.397,284 14.782,285 14.782,286 14.782,287 14.782,288 14.782,289 11.912,290 28.101,291 4.717,292 15.92,293 3.827,294 2.115,295 1.519,296 1.223,297 1.049,298 1.049,299 4.032,306 1,307 1,308 613,309 3.24,312 64.216,313 240.312,316 111.226,320 1.728,321 35.609,323 1,324 0.75,325 0.83,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.78,332 61.5,333 282,334 4.694,335 4.471,336 7.291,337 4.293,338 3.422,339 4.555,340 3.825,341 12.468,342 3.023,343 4.412,344 3.35,345 6.715,346 4.081,347 3.117,348 4.037,349 0.8,350 10.799,351 3.005,352 4.129,353 3.135,354 6.273,355 3.803,356 2.895,357 3.428,358 0.8,359 9.425,360 2.61,361 3.838,362 2.842,363 6.009,364 3.504,365 2.604,366 3.113,368 8.533,369 2.306,370 3.326,371 2.39,372 5.146,373 3.075,374 2.131,375 2.481,377 6.068,378 2.001,379 3.232,380 2.147,381 4.841,382 2.879,383 1.879,384 2.464,386 5.104,387 1.879,388 3.029,389 1.788,390 4.749,391 2.527,392 1.599,393 2.239,395 4.811,396 1.468,397 2.862,398 1.64,399 4.41,400 2.481,401 1.531,402 1.969,404 4.248,405 1.45,406 2.627,407 1.284,408 4.018,409 2.188,410 1.215,411 1.676,413 3.048,414 1.178,415 2.443,416 1.169,417 3.791,418 2.027,419 1.082,420 1.428,422 2.79,423 1.016,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.99,434 0.665,435 3.259,436 1.5,437 0.557,438 0.782,440 1.408,441 0.522,442 1.242,443 0.51,444 2.837,445 1.048,446 0.079,447 0.088,449 0.198,450 0.077,451 1,452 0.51,453 2.673,454 0.653,455 -0.347,456 -0.445,458 -0.757,459 -0.347,460 0.85,461 0.423,462 2.506,463 0.503,464 -0.464,465 -0.549,467 -1.22,468 -0.447,469 12.257,470 0.454,471 0.916,472 0.034,473 33.5,474 1.241,475 15,476 0.556,477 18.5,478 0.685,479 23.617,480 0.875,481 30.343,482 0.66,483 25.907,484 0.96,485 6.766,486 0.251,487 6.077,488 0.225,489 0.152,490 0.041,491 0.343,493 3,496 0.551,497 1.151,498 0.637,499 1.199,500 0.55,501 1.018,502 0.487,503 0.838,504 0.644,505 0.889,506 0.311,507 0.827,508 0.406,509 0.64,510 0.799,511 0.949,512 0.377,513 1.003,514 0.549,515 0.778,516 0.919,517 1.077,518 0.483,519 1.122,520 0.455,521 0.876,522 0.994,523 1.35,524 0.407,525 1.38,526 0.454,527 0.681,528 0.739,529 0.946,530 0.488,531 0.96,532 0.848,533 0.804,534 0.78,535 0.691,536 0.76,537 0.688,538 2.205,539 1.492,540 1.476,541 0.907,542 2.361,543 0.912,544 6.5,545 0.216,546 4.222,547 2.597,548 1.739,549 0.941,550 0.815,551 0.375,552 0.199,553 0.205,554 8937,555 28318,556 2.066,557 41.3,558 6,559 13,567 1.698,568 1.895,569 3.329,570 -0.659,575 78.05,576 1.697,577 3.409,578 4.005,579 4.3,580 4.474,581 4.474,582 2.73,583 4.06,584 4.73,585 3.538,586 1241.91,587 8.193,588 15886.2,590 1,593 254.084,594 1.675,595 4.66,596 0.217,597 0.011,598 0.094,599 0.056,600 0.04,601 0.029,602 0.029,603 0.015,604 0.008,605 0.01,606 0.51,607 0.5,608 0.88,609 0.803,610 133.646,611 0.018,612 -0.153,613 0.063,614 -0.127,615 -0.064,616 -0.051,617 0.366,618 0.167,619 0.222,620 0.091,621 0.473,622 0.106,623 0.22,624 0.202,625 0.039,626 0.005,627 0.121,628 -0.046,629 0.142,630 0.071,631 -0.034,632 -0.099,633 0.136,634 -0.13,635 0.064,636 -0.137,637 -0.121,638 -0.326,639 0.044,640 -0.312,641 0.189,642 -0.041,643 0.296,644 0.02,645 0.102,646 0.143,647 -0.038,648 -0.101,649 0.295,650 0.206,651 -0.009,652 0.343,653 -0.469,654 -0.054,655 -0.364,656 0.065,657 -0.452,658 -0.055,659 5.841,660 5.056,661 0.778,662 24.06,663 1.026,664 1.159,665 5.036,666 25.357,667 0.651,668 3.434,669 3.829,670 4.111,671 4.394,672 4.585,673 4.691,674 4.828,675 4.963,676 5.017,677 5.193,678 6.43,679 0.641,680 376.43,681 3.434,682 5.017,683 5.889,684 6.801,685 7.688,686 8.6,687 9.492,688 10.404,689 11.299,690 12.21,691 13,697 2,699 1,701 3,708 1,709 5,710 3,714 5,716 16,732 2,738 46,739 16,740 1,741 30,743 49,744 18,745 11,746 3,747 3,752 4,753 5,759 3,765 1,768 11,769 7,786 1,787 3,789 19,790 8,792 9,797 6,803 0.75,815 1,822 1,823 3,826 1,855 3,859 2,861 3,862 27,869 4,875 2,876 1,883 1,885 3,893 14.25,894 9.045,895 5.667,896 2.791,898 3.086,899 1.398,900 1.007,901 4.47,902 10.836,903 3.664,904 4.314,905 4.923,906 5.522,907 6.004,908 6.306,909 6.632,910 6.991,911 7.074,912 7.383,913 0.857,914 46,915 10.495,917 5.027,918 8.102,919 18.672,921 15.545,924 2.602,925 70.25,928 1,929 223.651,930 96.713,931 57.402,934 44.88,936 96.713,937 223.651,938 102.282,939 17.65,940 8.423,941 47.381,942 54.032,943 61.421,944 2.328,945 223.651,946 7.76,947 223.651,948 154.115,949 44.88,952 223.651,953 44.88,956 39.04,957 65.086,958 49.989,960 268.531,961 57.402,962 96.713,965 231.41,966 23.922,967 72.444,969 94.869,970 223.651,971 102.282,972 96.713,973 0.605,974 0.352,975 0.189,976 0.096,977 24,978 11,979 0.041,980 2,981 1,982 1.095,983 3.79,984 239.765,985 0.095,986 21,987 109.627,993 18.058,994 6.684,995 3.344,996 0.084,997 101.118,998 9.437,999 10.906,1003 3.075,1006 422.646,1007 38,1020 47.218,1021 53.331,1022 0.307,1023 0.617,1024 0.725,1025 0.779,1026 0.81,1027 0.81,1028 4.949,1029 1.531,1030 5.938,1031 4.811,1032 4.511,1033 5.001,1034 3.125,1035 6.834,1036 4.369,1037 6.192,1038 1.215,1039 7.561,1040 4.248,1041 4.369,1042 4.977,1043 3.919,1044 8.057,1045 4.051,1046 7.537,1047 1.082,1048 9.293,1049 3.048,1050 6.236,1051 7.261,1052 5.424,1053 11.113,1054 5.924,1055 8.919,1056 1,1057 11.09,1058 2.79,1059 6.878,1060 8.046,1061 6.69,1062 13.122,1063 6.389,1064 10.333,1065 0.557,1066 12.929,1067 2.275,1068 8.292,1069 9.858,1070 8.058,1071 15.772,1072 7.781,1073 11.769,1074 0.079,1075 14.795,1076 1.408,1077 9.255,1078 11.015,1079 9.389,1080 18.072,1081 8.594,1082 13.224,1083 -0.347,1084 16.682,1085 0.198,1086 10.515,1087 12.639,1088 10.734,1089 20.605,1090 9.801,1091 3.422,1092 -0.464,1093 18.584,1094 -0.757,1095 11.613,1096 13.973,1097 12.074,1098 23.019,1099 10.77,1100 3.117,1101 12.468,1102 20.497,1103 -1.22,1104 12.823,1105 15.519,1106 13.416,1107 25.521,1108 11.905,1109 2.895,1110 10.799,1111 22.421,1112 4.555,1113 13.977,1114 16.939,1115 14.758,1116 27.985,1117 12.944,1118 2.604,1119 9.425,1120 24.351,1121 4.037,1122 15.176,1123 18.455,1124 16.1,1125 30.484,1126 14.052,1127 2.131,1128 8.533,1129 26.289,1130 3.428,1131 16.356,1132 19.917,1133 17.441,1134 32.971,1135 15.122,1136 1.879,1137 6.068,1138 28.232,1139 3.113,1140 17.555,1141 21.422,1142 18.783,1143 35.473,1144 16.222,1145 1.599,1146 5.104,1147 30.179,1148 2.481,1149 18.75,1150 22.905,1151 20.124,1152 37.972,1153 17.308,1154 8518,1155 15594,1156 19.592,1157 29.938,1158 46.765,1159 45.968,1160 47.833,1161 46.482,1162 46.225,1163 58.52,1164 10.851,1165 142.351,1166 43.002,1167 5.694,1168 6.471,1169 6.837,1170 5.36,1171 5.422,1172 7.555,1173 5.335,1174 20.218,1175 5.023,1176 15.008,1177 1.559,1178 1.532,1179 1.594,1180 1.549,1181 1.541,1182 1.951,1183 0.362,1184 4.745,1185 1.433,1186 4.104,1187 4.168,1188 4.091,1189 3.922,1190 8.513,1191 3.938,1192 3.973,1193 4.014,1194 3.915,1195 3.849,1196 7.999,1197 3.876,1198 3.72,1199 3.787,1200 3.629,1201 3.529,1202 7.999,1203 3.543,1204 3.437,1205 3.484,1206 3.421,1207 3.208,1208 5.185,1209 3.245,1210 3.266,1211 3.35,1212 3.083,1213 3.125,1214 4.745,1215 3.101,1216 3.111,1217 3.206,1218 3.067,1219 2.941,1220 4.533,1221 2.91,1222 3.111,1223 3.184,1224 2.866,1225 2.913,1226 4.195,1227 2.907,1228 3.034,1229 3.125,1230 2.858,1231 2.754,1232 3.966,1233 2.796,1234 0.156,1235 0.149,1236 0.243,1237 0.143,1238 0.114,1239 4.694,1240 0.152,1241 4.471,1242 0.128,1243 7.291,1244 0.416,1245 4.293,1246 0.101,1247 3.422,1248 4.555,1249 3.825,1250 12.468,1251 3.023,1252 1.961,1253 1.928,1254 2.081,1255 2.108,1256 1.323,1257 2.094,1258 1.856,1259 1.807,1260 1.959,1261 2.027,1262 1.142,1263 2.01,1264 1.64,1265 1.573,1266 1.818,1267 1.848,1268 0.94,1269 1.848,1270 1.35,1271 1.303,1272 1.639,1273 1.667,1274 0.825,1275 1.579,1276 1.303,1277 1.226,1278 1.513,1279 1.507,1280 0.719,1281 1.557,1282 1.153,1283 1.064,1284 1.449,1285 1.376,1286 0.492,1287 1.429,1288 1.096,1289 1.017,1290 1.363,1291 1.314,1292 0.424,1293 1.364,1294 0.951,1295 0.872,1296 1.163,1297 1.243,1298 0.342,1299 1.216,1300 4.111,1302 5.485,1303 2.398,1304 7.05,1305 4.727,1306 8.7,1307 6.862,1308 10.391,1310 4.184,1312 39.168,1315 2.908,1321 4.309,1322 -4.591,1326 29.493,1327 78.05,1328 156.807,1329 184.21,1330 197.819,1331 205.819,1332 205.819,1333 46.701,1334 7.751,1335 49.56,1336 49.56,1337 23,1338 12.728,1339 4.087,1340 3.17,1341 40.373,1342 106,1343 85,1344 0.19,1345 177.728,1346 303.55,1347 425.415,1348 24707,1349 6.5,1350 19.181,1351 0.71,1352 0.557,1353 16.681,1354 15.032,1355 12.842,1356 0.428,1357 0.29,1358 8.505,1359 12.083,1360 8.318,1361 6.839,1362 11.631,1363 8.702,1364 12.685,1365 0.282,1366 0.149,1367 10.689,1368 6.697,1369 10.227,1370 0.17,1371 0.081,1372 9.473,1373 4.862,1374 8.902,1375 0.111,1376 0.045,1377 8.115,1378 3.588,1379 6.778,1380 0.07,1381 0.024,1382 6.206,1383 2.317,1384 0.299,1385 82.308,1386 0.226,1387 25.797,1388 0.52,1389 150,1390 608.204,1391 180.256,1392 507.549,1393 678.24,1394 472,1395 180,1396 500.966,1397 207.932,1398 482.804,1399 731.28,1400 453,1401 4.155}
{0 CHEMBL1578341,1 1.582,2 8.818,3 2.971,4 8.829,5 80.714,6 8.144,7 0.478,8 3.714,9 3.797,10 3.339,11 3.226,12 4.979,13 3.233,14 4.198,15 4.319,16 3.632,17 3.547,18 5.604,19 3.544,20 4.378,21 4.535,22 3.66,23 3.656,24 5.613,25 3.63,26 4.323,27 4.462,28 3.608,29 3.657,30 5.518,31 3.617,32 4.443,33 4.62,34 3.623,35 3.612,36 5.633,37 3.578,38 4.431,39 4.617,40 3.653,41 3.462,42 5.804,43 3.477,44 4.27,45 4.435,46 3.498,47 3.315,48 5.71,49 3.353,50 4.18,51 4.346,52 3.225,53 3.157,54 5.616,55 3.152,56 0.163,57 0.479,58 6.272,59 3.494,60 7.038,61 3.945,62 0.45,63 0.712,64 12.482,65 5.548,66 52.594,67 6.322,68 0.63,69 0.827,70 16.819,71 6.588,72 59.502,73 7.7,74 0.328,75 0.825,76 13.966,77 6.521,78 41.388,79 7.57,80 0.472,81 0.886,82 17.909,83 6.911,84 48.182,85 8.472,86 0.671,87 0.83,88 19.203,89 6.157,90 57.127,91 7.597,92 0.499,93 0.709,94 15.656,95 4.95,96 55.856,97 5.523,98 0.6,99 0.605,100 15.073,101 4.687,102 78.498,103 5.143,104 31,105 30,106 0.284,107 0.619,108 0.775,109 0.841,110 0.873,111 0.883,112 3.147,113 0.878,114 -4.14,115 -4.09,116 -3.87,120 43.2,121 1,126 2,136 1,138 1,143 6,144 3,145 1,159 1,167 2,174 10,176 2,177 4,185 13,188 2,189 6,197 13,201 6,209 7,213 1,214 12,222 2,226 2,227 16,240 11,247 2,251 2,252 6,260 3,263 4,264 2,271 2,274 736,275 14.767,276 14.767,277 14.767,278 14.767,279 14.767,280 12.844,281 11.372,282 9.081,283 15.129,284 11.324,285 11.324,286 11.324,287 11.324,288 11.324,289 8.36,290 9.364,291 4.24,292 11.774,293 3.627,294 1.761,295 0.892,296 0.527,297 0.345,298 0.291,299 3.809,305 1,306 1,307 1,308 394,309 3.742,313 115.858,317 99.121,320 1.306,321 29.553,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49.5,333 194,334 4.581,335 3.709,336 6.698,337 4.127,338 3.138,339 4.514,340 2.612,341 10.86,342 3.104,343 3.914,344 3.674,345 5.711,346 3.415,347 2.456,348 3.483,349 2.513,350 7.612,351 2.349,352 3.778,353 3.21,354 5.036,355 3.278,356 2.305,357 3.241,358 0.965,359 6.06,360 2.219,361 3.618,362 2.595,363 4.783,364 3.135,365 2.173,366 2.813,367 0.257,368 5.285,369 2.084,370 3.242,371 1.951,372 4.621,373 2.766,374 1.781,375 2.565,377 4.89,378 1.75,379 2.919,380 1.815,381 3.814,382 2.435,383 1.449,384 2.11,386 3.141,387 1.426,388 2.653,389 1.567,390 3.596,391 2.068,392 1.134,393 1.563,395 2.605,396 1.059,397 2.23,398 1.328,399 3.308,400 2.004,401 1.035,402 1.169,404 2.068,405 0.988,406 2.15,407 1.166,408 3.03,409 1.668,410 0.707,411 0.964,413 1.434,414 0.671,415 1.839,416 1,417 2.746,418 1.374,419 0.417,420 0.575,422 0.874,423 0.394,424 1.184,425 0.724,426 2.401,427 0.76,428 -0.204,429 -0.262,431 -0.478,432 -0.193,433 1,434 0.433,435 2.321,436 0.496,437 -0.49,438 -0.636,440 -0.919,441 -0.481,442 0.969,443 0.142,444 2,445 0.391,446 -0.597,447 -0.764,449 -1.244,450 -0.58,451 0.668,452 -0.34,453 1.84,454 0.118,455 -0.877,456 -1.238,458 -2,459 -0.869,460 0.561,461 -0.569,462 1.776,464 -1,465 -1.442,467 -2.159,468 -1,469 10.067,470 0.458,471 0.473,472 0.021,473 30,474 1.364,475 16.5,476 0.75,477 13.5,478 0.614,479 13.882,480 0.631,481 24.133,482 0.652,483 22.501,484 1.023,485 6.321,486 0.287,487 4.293,488 0.195,489 0.149,491 0.288,496 0.537,497 1.101,498 0.671,499 1.091,500 0.525,501 0.963,502 0.788,503 0.974,504 0.833,505 0.992,506 0.459,507 0.94,508 0.928,509 0.754,510 0.923,511 0.778,512 0.747,513 0.837,514 0.858,515 1.223,516 1.043,517 1.24,518 0.799,519 1.212,520 0.92,521 1.183,522 0.971,523 1.156,524 0.796,525 1.1,526 1.061,527 1.065,528 0.843,529 0.958,530 0.88,531 0.855,532 1.499,533 1.064,534 1.086,535 1.003,536 1.593,537 0.921,538 1.61,539 0.907,540 1.331,541 0.967,542 2.071,543 1.052,544 4,545 0.054,546 2.444,547 1.125,548 0.947,549 0.688,550 0.529,551 0.361,552 0.226,553 0.097,554 4337,555 15904,556 1.969,557 40.5,559 11,560 1,564 3,567 1.651,568 1.833,569 3.122,570 -0.717,571 1,572 1,574 1,575 58.537,576 1.582,577 3.448,578 4.317,579 4.682,580 4.865,581 4.919,582 2.534,583 4.187,584 4.423,585 3.273,586 756.022,587 7.635,588 8437.15,589 1,590 1,591 1,592 1,593 192.75,594 1.435,595 4.382,596 0.174,597 0.009,598 0.081,599 0.036,600 0.033,601 0.025,602 0.019,603 0.015,604 0.013,605 0.008,606 0.413,607 0.33,608 1,609 1.999,610 100.866,611 0.134,612 0.037,613 0.056,614 -0.029,615 -0.017,616 -0.024,617 0.101,618 0.054,619 0.024,620 0.037,621 0.198,622 0.016,623 0.006,624 0.232,625 0.003,626 0.233,627 -0.027,628 0.142,629 -0.107,630 -0.204,631 -0.204,632 -0.203,633 -0.101,634 -0.229,635 -0.052,636 -0.206,637 -0.026,638 -0.169,639 -0.059,640 -0.111,641 0.041,642 -0.109,643 0.194,644 -0.024,645 0.085,646 0.101,647 -0.281,648 -0.071,649 -0.068,650 -0.089,651 -0.173,652 -0.02,653 -0.264,654 0.02,655 -0.271,656 -0.049,657 -0.366,658 -0.146,659 2.545,660 4.384,661 0.455,662 19.223,663 1.025,664 1.12,665 2.914,666 8.492,667 0.665,668 3.178,669 3.434,670 3.638,671 3.871,672 4.111,673 4.174,674 4.248,675 4.277,676 4.29,677 4.007,678 5.423,679 0.656,680 301.32,681 3.178,682 4.673,683 5.485,684 6.337,685 7.182,686 8.048,687 8.909,688 9.783,689 10.653,690 11.531,691 2.7,703 1,708 2,709 6,714 2,716 11,735 1,738 37,739 15,740 2,741 23,743 38,744 16,745 10,746 4,747 6,748 2,752 2,753 3,759 1,768 13,769 3,772 4,775 1,778 3,780 2,782 1,785 1,786 1,789 15,790 5,792 6,797 1,803 0.5,804 5,823 2,827 1,841 1,845 1,850 1,855 1,859 1,862 22,869 2,872 2,886 13.5,889 1,891 2,892 2,893 12,894 6.95,895 5.083,896 2.21,898 3.034,899 1.464,900 0.925,901 5.502,902 9.577,903 3.512,904 4.086,905 4.62,906 5.207,907 5.834,908 6.187,909 6.595,910 6.945,911 7.299,912 7.167,913 0.833,914 31,915 8.083,917 3.316,918 8.197,919 14.78,921 11.277,924 2.697,925 59.333,929 176.567,930 114.157,931 5.67,933 97.892,936 114.157,937 274.458,938 5.67,939 14.495,940 18.232,941 66.334,942 32.336,943 35.575,944 11.771,945 164.795,946 50.747,947 176.567,948 119.827,949 97.892,952 141.253,953 82.458,954 50.747,956 18.01,957 92.341,958 9.476,960 176.567,961 103.562,962 114.157,965 176.567,966 29.951,967 89.876,969 97.892,970 176.567,971 103.562,972 114.157,973 0.558,974 0.306,975 0.165,976 0.095,977 12,978 6,979 0.184,980 7,981 1,982 1.2,983 3.364,984 160.899,985 0.2,986 10,987 96.107,993 15.989,994 7.571,995 4.3,996 1.732,997 97.892,998 10.962,1003 0.948,1006 394.286,1007 32.5,1010 -0.545,1013 32.534,1015 2.21,1017 -0.486,1020 37.924,1021 41.452,1022 0.304,1023 0.662,1024 0.829,1025 0.899,1026 0.934,1027 0.944,1028 4.698,1029 1.035,1030 5.442,1031 2.605,1032 4.111,1033 4.771,1034 3.214,1035 6.205,1036 4.048,1037 5.903,1038 0.707,1039 6.969,1040 2.068,1041 3.611,1042 4.649,1043 2.946,1044 7.081,1045 3.554,1046 7.205,1047 0.417,1048 8.603,1049 1.434,1050 5.638,1051 7.015,1052 4.771,1053 10.177,1054 5.531,1055 8.548,1056 -0.204,1057 10.304,1058 0.874,1059 5.969,1060 7.732,1061 5.131,1062 11.953,1063 5.871,1064 9.923,1065 -0.49,1066 12.051,1067 -0.478,1068 7.466,1069 9.582,1070 6.512,1071 14.582,1072 7.335,1073 11.322,1074 -0.597,1075 13.831,1076 -0.919,1077 8.208,1078 10.7,1079 7.149,1080 16.722,1081 8.085,1082 12.74,1083 -0.877,1084 15.637,1085 -1.244,1086 9.483,1087 12.345,1088 8.325,1089 19.197,1090 9.343,1091 3.138,1092 -1,1093 17.461,1094 -2,1095 10.434,1096 13.665,1097 9.101,1098 21.483,1099 10.297,1100 2.456,1101 10.86,1102 19.301,1103 -2.159,1104 11.619,1105 15.225,1106 10.173,1107 23.902,1108 11.472,1109 2.305,1110 7.612,1111 21.153,1112 4.514,1113 12.672,1114 16.642,1115 11.024,1116 26.246,1117 12.523,1118 2.173,1119 6.06,1120 23.014,1121 3.483,1122 13.824,1123 18.168,1124 12.041,1125 28.644,1126 13.667,1127 1.781,1128 5.285,1129 24.883,1130 3.241,1131 14.924,1132 19.632,1133 12.932,1134 31.012,1135 14.763,1136 1.449,1137 4.89,1138 26.757,1139 2.813,1140 16.067,1141 21.145,1142 13.919,1143 33.402,1144 15.898,1145 1.134,1146 3.141,1147 28.637,1148 2.565,1149 17.189,1150 22.631,1151 14.834,1152 35.78,1153 17.013,1154 4516,1155 8760,1156 14.909,1157 24.608,1158 33.592,1159 35.036,1160 34.513,1161 33.149,1162 33.19,1163 45.998,1164 12.696,1165 89.658,1166 32.086,1167 5.462,1168 5.709,1169 6.472,1170 5.193,1171 5.138,1172 7.514,1173 4.612,1174 18.062,1175 5.104,1176 11.958,1177 1.461,1178 1.523,1179 1.501,1180 1.441,1181 1.443,1182 2,1183 0.552,1184 3.898,1185 1.395,1186 4.103,1187 4.119,1188 4.064,1189 4.058,1190 7.816,1191 4.056,1192 3.768,1193 3.798,1194 3.739,1195 3.507,1196 7.432,1197 3.532,1198 3.646,1199 3.663,1200 3.567,1201 3.373,1202 6.999,1203 3.413,1204 3.474,1205 3.515,1206 3.377,1207 3.298,1208 4.937,1209 3.312,1210 3.3,1211 3.355,1212 3.117,1213 3.106,1214 4.57,1215 3.102,1216 3.118,1217 3.152,1218 3.031,1219 2.921,1220 4.436,1221 2.952,1222 2.799,1223 2.847,1224 2.687,1225 2.57,1226 4.17,1227 2.588,1228 2.722,1229 2.753,1230 2.602,1231 2.516,1232 4.055,1233 2.549,1234 0.199,1235 0.161,1236 0.291,1237 0.179,1238 0.136,1239 4.581,1240 0.196,1241 3.709,1242 0.114,1243 6.698,1244 0.472,1245 4.127,1246 0.135,1247 3.138,1248 4.514,1249 2.612,1250 10.86,1251 3.104,1252 2.08,1253 2.066,1254 2.153,1255 2.143,1256 1.305,1257 2.144,1258 1.607,1259 1.575,1260 1.813,1261 1.937,1262 0.944,1263 1.843,1264 1.527,1265 1.49,1266 1.733,1267 1.812,1268 0.776,1269 1.798,1270 1.426,1271 1.382,1272 1.606,1273 1.639,1274 0.685,1275 1.642,1276 1.272,1277 1.221,1278 1.508,1279 1.49,1280 0.569,1281 1.499,1282 1.036,1283 1.003,1284 1.208,1285 1.264,1286 0.255,1287 1.252,1288 0.712,1289 0.666,1290 1.001,1291 1.005,1292 0.111,1293 1.01,1294 0.658,1295 0.623,1296 0.934,1297 0.947,1298 0.016,1299 0.952,1300 3.85,1302 5.118,1304 6.586,1306 8.161,1308 9.802,1310 1.708,1315 0.027,1318 10.242,1326 24.283,1327 58.537,1328 127.589,1329 159.73,1330 173.24,1331 179.995,1332 181.995,1333 45.278,1334 6.542,1335 81.35,1336 81.35,1337 12,1338 12.07,1339 4,1340 3.392,1341 41.93,1342 67,1343 86,1344 0.299,1345 152.817,1346 272.67,1347 364.635,1348 5159,1350 15.949,1351 0.725,1352 0.546,1353 15.949,1354 12.021,1355 10.613,1356 0.461,1357 0.293,1358 6.608,1359 10.008,1360 6.47,1361 5.382,1362 10.613,1363 6.734,1364 9.152,1365 0.305,1366 0.146,1367 9.152,1368 4.393,1369 6.921,1370 0.187,1371 0.08,1372 6.921,1373 2.944,1374 5.62,1375 0.12,1376 0.044,1377 5.62,1378 2.048,1379 4.546,1380 0.076,1381 0.023,1382 4.546,1383 1.353,1384 0.458,1385 68.01,1386 0.259,1387 21.602,1388 0.857,1389 106,1390 428.323,1391 121.254,1392 396.101,1393 515.64,1394 366,1395 120,1396 363.558,1397 133.348,1398 356.556,1399 511.68,1400 334,1401 5.477}
{0 CHEMBL1578400,1 1.667,2 7.231,3 1.225,4 1.502,5 93.116,6 7.942,7 0.214,8 3.927,9 4.026,10 3.526,11 3.386,12 5.172,13 3.408,14 4.437,15 4.6,16 3.932,17 3.785,18 5.665,19 3.795,20 4.63,21 4.747,22 4.139,23 4.006,24 5.924,25 4.023,26 4.895,27 5.047,28 4.212,29 4.09,30 6.315,31 4.1,32 4.901,33 5.059,34 4.195,35 4.158,36 6.123,37 4.139,38 5.056,39 5.258,40 4.171,41 4.138,42 6.355,43 4.098,44 4.971,45 5.185,46 3.96,47 3.94,48 6.341,49 3.882,50 4.793,51 5.031,52 3.296,53 3.582,54 6.071,55 3.468,56 0.153,57 0.65,58 8.436,59 3.892,60 16.317,61 4.657,62 0.567,63 1.019,64 16.989,65 6.191,66 31.772,67 7.978,68 0.339,69 1.253,70 18.151,71 7.869,72 41.44,73 9.506,74 1.065,75 1.451,76 28.008,77 9.038,78 143.289,79 10.928,80 0.566,81 1.515,82 26.651,83 10.474,84 64.474,85 13.147,86 1.118,87 1.611,88 35.245,89 11.243,90 120.597,91 15.108,92 1.13,93 1.375,94 33.757,95 10.359,96 130.785,97 14.113,98 1.238,99 1.011,100 31.584,101 8.011,102 149.939,103 10.506,104 67,105 42,106 0.288,107 0.657,108 0.808,109 0.854,110 0.877,111 0.877,112 3.306,113 0.845,114 -2.98,115 -2.98,116 -2.88,120 40,121 1,123 1,125 3,137 2,140 2,143 4,144 1,145 1,157 1,159 1,160 1,174 7,176 5,177 7,180 1,182 3,185 10,189 5,194 3,197 8,200 6,201 12,204 1,206 5,209 5,214 11,219 4,222 4,226 3,227 10,230 3,232 1,235 1,240 7,243 5,244 1,245 2,247 1,251 1,252 1,255 1,264 1,267 1,274 968,275 16.905,276 16.905,277 16.905,278 16.905,279 16.905,280 15.187,281 23.097,282 9.435,283 17.194,284 13.628,285 13.628,286 13.628,287 13.628,288 13.628,289 10.828,290 26.777,291 4.31,292 14.061,293 3.825,294 1.691,295 0.823,296 0.556,297 0.423,298 0.423,299 3.975,306 1,307 1,308 388,309 3.082,313 190.037,317 106.29,320 0.959,321 44.402,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 58.5,333 188,334 4.73,335 4.042,336 7.24,337 4.423,338 3.443,339 4.199,340 1.764,341 12.818,342 3.377,343 4.295,344 3.668,345 6.679,346 3.985,347 3.014,348 3.685,349 1.36,350 10.549,351 2.917,352 4.03,353 3.359,354 6.062,355 3.611,356 2.63,357 3.576,358 1.216,359 8.413,360 2.579,361 3.703,362 2.948,363 5.891,364 3.331,365 2.364,366 2.923,367 1.098,368 7.779,369 2.295,370 3.618,371 2.884,372 5.68,373 3.292,374 2.332,375 2.793,376 1.011,377 7.305,378 2.208,379 3.343,380 2.536,381 5.024,382 2.965,383 1.992,384 2.544,385 0.572,386 5.736,387 1.927,388 3.189,389 2.465,390 4.848,391 2.817,392 1.85,393 2.268,394 0.109,395 5.026,396 1.784,397 2.71,398 1.765,399 4.387,400 2.306,401 1.324,402 1.788,404 3.612,405 1.294,406 2.426,407 1.662,408 3.751,409 2.071,410 1.082,411 1.377,413 2.533,414 1.068,415 2.021,416 1.474,417 3.589,418 1.647,419 0.655,420 0.795,422 1.651,423 0.64,424 1.804,425 1.206,426 3.475,427 1.427,428 0.442,429 0.515,431 0.993,432 0.423,433 1.471,434 1.009,435 3.109,436 1.159,437 0.229,438 0.26,440 0.364,441 0.211,442 1.079,443 0.551,444 2.614,445 0.81,446 -0.19,447 -0.212,449 -0.432,450 -0.188,451 0.924,452 0.072,453 2.322,454 0.65,455 -0.328,456 -0.42,458 -0.803,459 -0.317,460 0.863,461 -0.057,462 2.263,463 0.488,464 -0.444,465 -0.549,467 -1.179,468 -0.409,469 11.867,470 0.456,471 0.899,472 0.035,473 31.5,474 1.212,475 14,476 0.538,477 17.5,478 0.673,479 23.325,480 0.897,481 28.933,482 0.643,483 28.895,484 1.111,485 6.742,486 0.259,487 5.531,488 0.213,489 0.281,491 0.489,496 0.86,497 1.483,498 0.749,499 1.171,500 0.758,501 0.972,502 0.653,503 0.735,504 0.632,505 0.648,506 0.543,507 0.626,508 0.921,509 1.428,510 0.828,511 1.247,512 0.917,513 1.05,514 1.252,515 0.893,516 1.104,517 0.883,518 1.351,519 0.935,520 0.963,521 1.313,522 0.973,523 1.256,524 0.805,525 1.144,526 0.912,527 1.043,528 1.015,529 1.076,530 0.953,531 1.069,532 0.927,533 1.099,534 1.061,535 1.18,536 0.978,537 1.163,538 1.593,539 0.716,540 1.498,541 0.868,542 1.447,543 1.108,544 5.5,546 3.778,547 2.938,548 2.924,549 1.646,550 1.202,551 0.616,552 0.188,553 0.016,554 5752,555 19496,556 1.948,557 42.2,558 1,559 13,562 2,563 3,567 1.706,568 1.733,569 2.824,570 0.327,571 1,572 1,574 1,575 75,576 1.667,577 3.801,578 4.669,579 4.936,580 5.069,581 5.069,582 2.19,583 4.316,584 4.674,585 2.968,586 964.725,587 8.178,588 11506.4,590 1,593 247.133,594 1.526,595 4.574,596 0.196,598 0.09,599 0.058,600 0.056,601 0.032,602 0.026,603 0.018,604 0.013,605 0.005,606 0.493,607 0.5,608 1,609 1.066,610 121.297,611 -0.113,612 -0.273,613 0.02,614 -0.077,615 -0.12,616 -0.012,617 0.163,618 0.415,619 0.245,620 0.359,621 0.077,622 0.329,623 -0.111,624 -0.269,625 -0.016,626 -0.176,627 -0.079,628 -0.088,629 -0.099,630 0.187,631 -0.164,632 0.077,633 -0.087,634 -0.037,635 -0.116,636 -0.255,637 -0.092,638 -0.213,639 -0.042,640 -0.158,641 0.058,642 -0.056,643 -0.037,644 -0.112,645 0.004,646 -0.1,647 0.119,648 -0.181,649 -0.038,650 -0.228,651 0.099,652 -0.185,653 -0.267,654 0.107,655 -0.377,656 0.02,657 -0.173,658 -0.163,659 2.186,660 5.891,661 0.615,662 17.846,663 1.022,664 1.13,665 1.748,666 3.055,667 0.653,668 3.367,669 3.761,670 4.111,671 4.431,672 4.745,673 4.905,674 5.03,675 5.081,676 5.094,677 4.898,678 4.771,679 0.641,680 357.4,681 3.367,682 4.949,683 5.844,684 6.77,685 7.691,686 8.627,687 9.559,688 10.498,689 11.434,690 12.376,691 6.7,698 2,700 1,709 4,714 2,716 6,734 1,738 45,739 11,740 1,741 28,743 47,744 18,745 6,746 2,747 4,748 6,752 3,753 4,757 1,759 1,764 1,768 13,769 5,770 1,772 5,778 2,781 1,782 7,785 1,786 1,789 19,790 8,791 2,792 8,797 3,800 1,803 0.667,804 5,823 3,827 1,834 1,846 2,853 1,854 1,855 2,859 4,862 26,868 2,872 1,874 1,875 2,886 11.1,888 2,889 2,890 1,893 15,894 9.417,895 5.722,896 2.397,898 2.027,899 1.279,900 0.91,901 4.712,902 9.3,903 3.611,904 4.212,905 4.781,906 5.324,907 5.86,908 6.194,909 6.525,910 6.819,911 7.037,912 7.07,913 0.8,914 51,915 9.688,917 4.272,918 8.147,919 17.593,921 14.246,924 2.647,925 68.833,929 200.109,930 99.048,931 23.034,933 146.656,936 99.048,937 346.765,938 23.034,939 36.501,940 6.249,941 37.905,942 154.118,943 29.69,944 4.276,945 200.109,947 200.109,948 122.082,949 146.656,952 200.109,953 135.657,954 11,956 31.859,957 90.222,960 200.109,961 169.691,962 99.048,965 200.109,966 24.642,967 80.655,969 163.442,970 200.109,971 169.691,972 99.048,973 0.599,974 0.378,975 0.206,976 0.122,977 21,978 12,979 0.043,980 2,981 1,982 1.125,983 3.346,984 238.742,985 0.125,986 16,987 122.211,993 18.327,994 6.685,995 2.876,997 169.691,998 6.368,1003 0.581,1005 85.367,1006 468.847,1007 36,1013 25.159,1016 4.363,1017 -0.227,1020 46.011,1021 50.864,1022 0.303,1023 0.692,1024 0.85,1025 0.899,1026 0.923,1027 0.923,1028 4.909,1029 1.324,1030 5.889,1031 5.026,1032 4.443,1033 4.898,1034 2.833,1035 6.815,1036 4.385,1037 6.155,1038 1.082,1039 7.532,1040 3.612,1041 4.29,1042 4.868,1043 1.785,1044 7.945,1045 4.206,1046 7.506,1047 0.655,1048 9.275,1049 2.533,1050 6.151,1051 7.071,1052 3.3,1053 11.13,1054 6.042,1055 8.888,1056 0.442,1057 11.072,1058 1.651,1059 6.77,1060 7.777,1061 2.922,1062 13.063,1063 6.64,1064 10.3,1065 0.229,1066 12.905,1067 0.993,1068 8.174,1069 9.518,1070 4.003,1071 15.812,1072 8.023,1073 11.733,1074 -0.19,1075 14.762,1076 0.364,1077 9.127,1078 10.562,1079 4.026,1080 18.091,1081 8.957,1082 13.183,1083 -0.328,1084 16.638,1085 -0.432,1086 10.385,1087 12.12,1088 4.874,1089 20.694,1090 10.196,1091 3.443,1092 -0.444,1093 18.528,1094 -0.803,1095 11.485,1096 13.336,1097 5.14,1098 23.124,1099 11.279,1100 3.014,1101 12.818,1102 20.43,1103 -1.179,1104 12.702,1105 14.813,1106 5.857,1107 25.68,1108 12.477,1109 2.63,1110 10.549,1111 22.342,1112 4.199,1113 13.867,1114 16.12,1115 6.262,1116 28.174,1117 13.624,1118 2.364,1119 8.413,1120 24.263,1121 3.685,1122 15.077,1123 17.561,1124 6.908,1125 30.717,1126 14.816,1127 2.332,1128 7.779,1129 26.19,1130 3.576,1131 16.272,1132 18.918,1133 7.389,1134 33.239,1135 15.993,1136 1.992,1137 7.305,1138 28.124,1139 2.923,1140 17.484,1141 20.344,1142 7.997,1143 35.781,1144 17.189,1145 1.85,1146 5.736,1147 30.063,1148 2.793,1149 18.694,1150 21.729,1151 8.518,1152 38.316,1153 18.381,1154 5882,1155 10914,1156 17.342,1157 29.381,1158 43.822,1159 45.526,1160 47.466,1161 42.752,1162 42.714,1163 53.447,1164 14.26,1165 133.558,1166 41.444,1167 5.696,1168 6.042,1169 6.791,1170 5.498,1171 5.443,1172 7.199,1173 3.075,1174 20.818,1175 5.377,1176 17.489,1177 1.565,1178 1.626,1179 1.695,1180 1.527,1181 1.526,1182 1.909,1183 0.509,1184 4.77,1185 1.48,1186 4.048,1187 4.073,1188 4.016,1189 3.955,1190 7.444,1191 3.963,1192 3.823,1193 3.853,1194 3.773,1195 3.699,1196 7.411,1197 3.714,1198 3.637,1199 3.67,1200 3.587,1201 3.426,1202 6.476,1203 3.461,1204 3.333,1205 3.396,1206 3.206,1207 3.062,1208 6.469,1209 3.075,1210 3.263,1211 3.342,1212 3.147,1213 3.017,1214 4.78,1215 3.035,1216 3.186,1217 3.255,1218 3.006,1219 2.977,1220 4.577,1221 2.974,1222 2.979,1223 3.033,1224 2.853,1225 2.767,1226 4.509,1227 2.772,1228 2.932,1229 2.971,1230 2.778,1231 2.745,1232 4.123,1233 2.745,1234 0.169,1235 0.144,1236 0.259,1237 0.158,1238 0.123,1239 4.73,1240 0.15,1241 4.042,1242 0.063,1243 7.24,1244 0.458,1245 4.423,1246 0.121,1247 3.443,1248 4.199,1249 1.764,1250 12.818,1251 3.377,1252 1.982,1253 1.962,1254 2.06,1255 2.096,1256 1.284,1257 2.08,1258 1.773,1259 1.744,1260 1.878,1261 1.927,1262 0.96,1263 1.914,1264 1.54,1265 1.501,1266 1.729,1267 1.777,1268 0.803,1269 1.758,1270 1.258,1271 1.186,1272 1.6,1273 1.571,1274 0.654,1275 1.577,1276 1.217,1277 1.128,1278 1.589,1279 1.52,1280 0.634,1281 1.546,1282 1.181,1283 1.11,1284 1.486,1285 1.395,1286 0.578,1287 1.427,1288 0.94,1289 0.879,1290 1.177,1291 1.211,1292 0.263,1293 1.207,1294 0.883,1295 0.839,1296 1.138,1297 1.143,1298 0.162,1299 1.131,1300 4.043,1302 5.416,1304 7.004,1306 8.698,1308 10.454,1310 5.881,1314 20.184,1318 4.996,1320 -0.75,1321 2.281,1326 28.853,1327 75,1328 171.028,1329 210.114,1330 222.114,1331 228.114,1332 228.114,1333 72.054,1334 7.274,1335 106.05,1336 106.05,1337 18,1338 12.871,1339 3.585,1340 3.17,1341 43.58,1342 71,1343 74,1344 0.303,1345 178.197,1346 327.81,1347 426.561,1348 11536,1350 19.171,1351 0.737,1352 0.571,1353 19.171,1354 14.848,1355 12.273,1356 0.438,1357 0.282,1358 7.717,1359 11.595,1360 7.407,1361 6.193,1362 12.273,1363 7.891,1364 11.463,1365 0.273,1366 0.145,1367 11.463,1368 6.091,1369 10.277,1370 0.171,1371 0.076,1372 10.277,1373 4.536,1374 8.34,1375 0.1,1376 0.039,1377 8.34,1378 3.245,1379 7.005,1380 0.061,1381 0.02,1382 7.005,1383 2.325,1384 0.442,1385 78.715,1386 0.24,1387 23.765,1388 0.96,1389 140,1390 488.441,1391 158.84,1392 460.571,1393 615.25,1394 426,1395 172,1396 445.034,1397 191.123,1398 450.351,1399 664.04,1400 418,1401 4.556}
{0 CHEMBL1578482,1 1.8,2 10.045,3 4.439,4 19.706,5 86.449,6 9.701,7 0.75,8 3.646,9 3.73,10 3.486,11 3.336,12 4.87,13 3.289,14 4.079,15 4.193,16 3.844,17 3.684,18 5.337,19 3.606,20 4.272,21 4.437,22 3.867,23 3.738,24 5.437,25 3.629,26 4.168,27 4.341,28 3.66,29 3.592,30 5.292,31 3.468,32 4.116,33 4.295,34 3.773,35 3.51,36 5.322,37 3.427,38 4.083,39 4.267,40 3.524,41 3.484,42 5.223,43 3.396,44 4.062,45 4.238,46 3.436,47 3.447,48 5.213,49 3.324,50 3.951,51 4.155,52 3.325,53 3.253,54 5.116,55 3.138,56 0.056,57 0.463,58 4.071,59 2.749,60 7.964,61 2.957,62 0.143,63 0.756,64 9.721,65 4.89,66 14.334,67 5.18,68 0.269,69 0.926,70 17.461,71 6.346,72 27.039,73 6.493,74 0.215,75 0.806,76 17.449,77 6.317,78 24.432,79 6.685,80 0.28,81 0.782,82 15.787,83 5.229,84 28.8,85 5.182,86 0.193,87 0.743,88 11.916,89 4.936,90 21.978,91 5.309,92 0.186,93 0.664,94 14.147,95 5.462,96 23.9,97 5.99,98 0.222,99 0.604,100 14.129,101 5.141,102 27.138,103 5.52,104 5,105 32,106 0.328,107 0.609,108 0.766,109 0.873,110 0.873,111 0.873,112 3.146,113 0.992,114 -4.92,115 -4.83,116 -4.53,120 47.1,126 1,143 8,145 2,146 1,147 2,148 1,150 1,174 4,176 1,177 4,180 1,182 1,185 7,188 2,189 4,197 7,201 2,204 1,214 6,217 1,219 2,222 4,227 3,232 1,235 4,240 2,245 3,247 2,252 5,257 2,260 4,264 2,271 4,274 664,275 14.947,276 14.947,277 14.947,278 14.947,279 14.947,280 12.734,281 9.037,282 9.067,283 15.497,284 11.887,285 11.887,286 11.887,287 11.887,288 11.887,289 8.66,290 7.622,291 4.389,292 12.87,293 3.287,294 1.744,295 0.882,296 0.294,297 0.294,298 0.294,299 3.831,303 1,306 1,307 1,308 475,309 2.236,313 219.715,320 1.417,321 18.448,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46.833,333 221,334 4.319,335 4.435,336 6.2,337 3.886,338 2.944,339 3.992,340 3.272,341 9.317,342 2.773,343 4.015,344 3.111,345 5.482,346 3.546,347 2.628,348 3.615,350 7.332,351 2.392,352 3.84,353 2.911,354 5.366,355 3.402,356 2.448,357 3.372,359 7.01,360 2.324,361 3.438,362 2.776,363 4.898,364 2.981,365 2.121,366 2.723,368 5.719,369 1.811,370 3.27,371 2.478,372 4.771,373 2.829,374 1.923,375 2.527,377 5.353,378 1.662,379 3.173,380 1.946,381 4.346,382 2.687,383 1.725,384 2.458,386 4.227,387 1.656,388 2.565,389 1.72,390 3.492,391 2.033,392 1.08,393 1.597,395 2.616,396 1.026,397 2.5,398 1.085,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.247,409 1.957,410 1,411 1.5,413 2.136,414 0.954,415 1.895,416 1,417 3.224,418 1.515,419 0.7,420 0.81,422 1.654,423 0.548,424 1.158,425 1,426 2.581,427 0.712,428 -0.127,429 -0.154,431 -0.289,432 -0.09,433 0.976,435 2.503,436 0.527,437 -0.386,438 -0.494,440 -0.986,441 -0.341,442 0.847,443 -0.056,444 2.122,445 0.39,446 -0.515,447 -0.678,449 -1.3,450 -0.459,451 0.591,452 -0.289,453 2,454 0.127,455 -0.771,456 -0.935,458 -1.93,459 -0.643,460 0.5,461 -0.567,462 1.77,464 -1,465 -1.439,467 -2.347,468 -0.89,469 11.081,470 0.504,471 0.468,472 0.021,473 33,474 1.5,475 19,476 0.864,477 14,478 0.636,479 14.03,480 0.638,481 21.919,482 0.645,483 20.629,484 0.938,485 6.354,486 0.289,487 4.349,488 0.198,489 0.095,491 0.271,496 0.822,497 1.073,498 0.601,499 0.753,500 0.905,501 0.744,502 0.649,503 1.187,504 0.9,505 1.064,506 0.552,507 0.965,508 1.075,509 0.984,510 1.179,511 1.074,512 0.988,513 1.011,514 0.917,515 1.195,516 1.213,517 1.254,518 0.865,519 1.121,520 1.05,521 1.016,522 0.598,523 0.834,524 1.157,525 0.845,526 1.07,527 0.936,528 0.779,529 0.898,530 1.096,531 0.944,532 1.203,533 1.04,534 1.09,535 1.111,536 1.298,537 1.156,538 1.159,539 0.978,540 0.929,541 0.995,542 1.277,543 0.965,544 4.5,545 0.062,546 1.778,547 0.875,548 1.067,549 0.542,550 0.245,551 0.307,552 0.139,553 0.086,554 5290,555 17971,556 2.097,557 35.3,559 10,561 1,562 1,567 1.643,568 2,569 3.31,570 -0.265,572 1,575 61.199,576 1.8,577 3.344,578 4.205,579 4.793,580 4.793,581 4.793,582 2.738,583 3.732,584 4.431,585 3.432,586 792.727,587 7.6,588 8876.76,590 1,592 1,593 172.974,594 1.241,595 4.407,596 0.188,597 0.006,598 0.056,599 0.029,600 0.043,601 0.022,602 0.011,603 0.015,604 0.008,605 0.006,606 0.382,607 0.17,608 1,609 0.517,610 102.207,611 -0.097,612 -0.085,613 0.015,614 0.051,615 -0.16,616 0.031,617 0.095,618 -0.142,619 -0.068,620 -0.122,621 0.123,622 -0.123,623 -0.115,624 0.078,625 -0.14,626 -0.054,627 -0.116,628 -0.082,629 -0.012,630 -0.18,631 -0.159,632 -0.179,633 0.01,634 -0.136,635 0.02,636 0.045,637 0.222,638 0.125,639 -0.019,640 0.081,641 -0.15,642 0.073,643 -0.027,644 0.017,645 -0.116,646 -0.003,647 -0.16,648 -0.135,649 -0.144,650 -0.132,651 -0.128,652 -0.16,653 -0.03,654 -0.04,655 0.042,656 0.035,657 0.004,658 0.081,659 1.72,660 3.783,661 0.818,662 17.62,663 1.013,664 1.107,665 3.69,666 13.614,667 0.758,668 3.219,669 3.497,670 3.689,671 3.912,672 4.143,673 4.06,674 4.111,675 4.174,676 4.234,677 4.234,678 5.849,679 0.718,680 329.83,681 3.219,682 4.727,683 5.541,684 6.389,685 7.219,686 8.069,687 8.907,688 9.758,689 10.599,690 11.452,691 8.8,701 3,709 9,710 3,714 6,716 18,734 1,737 1,738 34,739 18,740 1,741 24,743 36,744 16,745 15,746 2,747 4,752 3,753 3,754 1,768 15,769 1,786 1,789 12,790 4,791 1,792 6,793 2,797 3,803 1,804 1,816 1,817 1,823 3,855 3,856 1,857 1,860 1,862 22,868 1,869 1,873 1,885 1,886 2.9,888 1,893 11,894 6.11,895 4.861,896 1.854,898 3.156,899 1.47,900 0.971,901 4.687,902 9.877,903 3.526,904 4.119,905 4.652,906 5.201,907 5.754,908 5.792,909 6.105,910 6.444,911 6.803,912 7.045,913 0.857,914 30,915 8.056,917 3.356,918 7.793,919 15.2,921 12.084,924 2.293,925 50.444,929 129.482,930 130.869,931 50.357,932 39.149,933 42.683,935 32.22,936 98.65,937 211.314,938 50.357,940 0.9,941 75.81,942 104.811,943 21.94,945 149.931,946 39.149,947 129.482,948 149.006,949 42.683,950 71.368,952 131.81,953 42.683,956 15.461,957 80.861,958 89.505,959 32.22,960 129.482,961 93.04,962 170.018,965 129.482,966 46.012,967 84.857,969 132.189,970 129.482,971 93.04,972 170.018,973 0.572,974 0.316,975 0.169,976 0.099,977 15,978 6,979 0.111,980 4,982 1,983 3.545,984 164.496,986 18,987 94.107,989 1,993 14.98,994 6.883,995 4.054,997 93.04,998 16.329,999 12.683,1003 3.544,1005 42.683,1006 392.54,1007 33,1020 34.451,1021 37.644,1022 0.354,1023 0.657,1024 0.827,1025 0.942,1026 0.942,1027 0.942,1028 4.714,1029 1,1030 5.493,1031 2.616,1032 4.174,1033 4.804,1034 3.11,1035 6.213,1036 4.02,1037 5.907,1038 1,1039 6.989,1040 2.275,1041 3.611,1042 4.407,1044 6.88,1045 3.317,1046 7.185,1047 0.7,1048 8.578,1049 2.136,1050 5.68,1051 6.954,1052 5.44,1053 9.933,1054 5.39,1055 8.495,1056 -0.127,1057 10.219,1058 1.654,1059 5.889,1060 7.311,1062 11.416,1063 5.464,1064 9.831,1065 -0.386,1066 11.896,1067 -0.289,1068 7.426,1069 9.334,1070 7.807,1071 13.964,1072 7.009,1073 11.186,1074 -0.515,1075 13.596,1076 -0.986,1077 8.024,1078 10.086,1080 15.826,1081 7.491,1082 12.556,1083 -0.771,1084 15.316,1085 -1.3,1086 9.31,1087 11.838,1088 10.177,1089 18.177,1090 8.771,1091 2.944,1092 -1,1093 17.05,1094 -1.93,1095 10.121,1096 12.824,1098 20.229,1099 9.484,1100 2.628,1101 9.317,1102 18.796,1103 -2.347,1104 11.285,1105 14.419,1106 12.548,1107 22.501,1108 10.626,1109 2.448,1110 7.332,1111 20.552,1112 3.992,1113 12.212,1114 15.551,1116 24.644,1117 11.469,1118 2.121,1119 7.01,1120 22.316,1121 3.615,1122 13.317,1123 17.053,1124 14.919,1125 26.886,1126 12.541,1127 1.923,1128 5.719,1129 24.088,1130 3.372,1131 14.308,1132 18.276,1134 29.074,1135 13.458,1136 1.725,1137 5.353,1138 25.867,1139 2.723,1140 15.388,1141 19.722,1142 17.29,1143 31.306,1144 14.495,1145 1.08,1146 4.227,1147 27.651,1148 2.527,1149 16.414,1150 21.003,1152 33.516,1153 15.453,1154 5103,1155 9526,1156 16.296,1157 25.784,1158 35.529,1159 38.673,1160 35.546,1161 35.341,1162 35.14,1163 48.187,1164 6.545,1165 95.277,1166 32.292,1167 5.146,1168 6.435,1169 6.002,1170 4.999,1171 4.944,1172 6.992,1173 6.545,1174 15.563,1175 4.773,1176 8.399,1177 1.48,1178 1.611,1179 1.481,1180 1.473,1181 1.464,1182 2.008,1183 0.273,1184 3.97,1185 1.346,1186 3.965,1187 4.002,1188 4.09,1189 3.895,1190 6.476,1191 3.873,1192 3.872,1193 3.894,1194 3.912,1195 3.799,1196 4.992,1197 3.804,1198 3.717,1199 3.757,1200 3.744,1201 3.602,1202 4.932,1203 3.605,1204 3.178,1205 3.214,1206 3.572,1207 3.146,1208 4.703,1209 3.064,1210 2.95,1211 2.987,1212 3.079,1213 2.84,1214 4.31,1215 2.83,1216 2.854,1217 2.925,1218 2.87,1219 2.735,1220 3.901,1221 2.715,1222 2.815,1223 2.852,1224 2.687,1225 2.685,1226 3.824,1227 2.683,1228 2.768,1229 2.832,1230 2.64,1231 2.573,1232 3.674,1233 2.579,1234 0.18,1235 0.185,1236 0.258,1237 0.162,1238 0.123,1239 4.319,1240 0.166,1241 4.435,1242 0.136,1243 6.2,1244 0.388,1245 3.886,1246 0.116,1247 2.944,1248 3.992,1249 3.272,1250 9.317,1251 2.773,1252 1.894,1253 1.871,1254 1.968,1255 2.028,1256 1.1,1257 2.013,1258 1.858,1259 1.829,1260 1.937,1261 1.922,1262 0.989,1263 1.947,1264 1.678,1265 1.642,1266 1.783,1267 1.825,1268 0.897,1269 1.819,1270 1.133,1271 1.103,1272 1.289,1273 1.3,1274 0.456,1275 1.334,1276 0.92,1277 0.883,1278 1.181,1279 1.104,1280 0.22,1281 1.107,1282 0.886,1283 0.821,1284 1.14,1285 1.062,1286 0.218,1287 1.106,1288 0.755,1289 0.724,1290 0.975,1291 0.988,1292 0.056,1293 0.997,1294 0.736,1295 0.663,1296 0.885,1297 0.876,1299 0.913,1300 3.892,1302 5.176,1304 6.653,1306 8.213,1308 9.815,1311 5.868,1314 9.783,1315 0.623,1319 1.614,1326 24.428,1327 61.199,1328 113.69,1329 142.974,1330 162.974,1331 162.974,1332 162.974,1333 29.191,1334 6.721,1335 58.9,1336 84.2,1337 18,1338 12.01,1339 4.248,1340 3.322,1341 34.555,1342 76,1343 80,1344 0.219,1345 159.564,1346 267.33,1347 381.096,1348 7009,1349 2.9,1350 15.364,1351 0.698,1352 0.593,1353 16.217,1354 13.051,1355 10.704,1356 0.446,1357 0.331,1358 6.628,1359 9.652,1360 6.358,1361 5.261,1362 11.446,1363 7.936,1364 9.54,1365 0.298,1366 0.187,1367 10.525,1368 5.984,1369 7.512,1370 0.193,1371 0.107,1372 8.496,1373 4.158,1374 6.118,1375 0.125,1376 0.057,1377 6.9,1378 2.772,1379 5.127,1380 0.083,1381 0.035,1382 6.2,1383 2.142,1384 0.345,1385 73.786,1386 0.248,1387 21.947,1388 0.594,1389 112,1390 346.149,1391 157.9,1392 392.129,1393 523.92,1394 366,1395 127,1396 346.049,1397 163.121,1398 374.381,1399 542.14,1400 352,1401 5.227}
{0 CHEMBL1578490,1 1.871,2 7.895,3 2.362,4 5.581,5 73.838,6 9.913,7 0.524,8 3.564,9 3.609,10 3.602,11 3.217,12 4.653,13 3.162,14 4.099,15 4.174,16 3.934,17 3.581,18 5.536,19 3.511,20 4.259,21 4.382,22 3.894,23 3.557,24 5.517,25 3.486,26 4.121,27 4.24,28 3.628,29 3.427,30 5.5,31 3.365,32 4.087,33 4.25,34 3.454,35 3.323,36 5.345,37 3.224,38 3.884,39 4.04,40 3.415,41 3.197,42 5.181,43 3.087,44 3.72,45 3.859,46 3.285,47 3.048,48 5.031,49 2.945,50 3.614,51 3.777,52 2.981,53 2.787,54 4.796,55 2.71,56 0.13,57 0.44,58 5.732,59 3.374,60 16.836,61 2.801,62 0.45,63 0.71,64 13.926,65 6.222,66 49.961,67 4.891,68 0.58,69 0.829,70 18.837,71 7.199,72 39.323,73 5.786,74 0.416,75 0.722,76 15.908,77 6.267,78 29.552,79 5.215,80 0.509,81 0.663,82 14.409,83 5.752,84 60.317,85 5.129,86 0.448,87 0.558,88 13.401,89 5.118,90 43.857,91 4.849,92 0.355,93 0.475,94 12.089,95 4.536,96 31.389,97 4.277,98 0.293,99 0.394,100 11.447,101 3.994,102 36.268,103 3.515,104 5,105 30,106 0.353,107 0.654,108 0.752,109 0.837,110 0.85,111 0.862,112 3.011,113 1.139,114 -2.19,115 -2.23,116 -2.21,120 40,126 2,143 5,145 3,152 1,154 1,174 2,176 1,177 2,180 2,182 2,185 3,188 1,189 7,194 3,197 1,201 7,204 1,206 1,214 2,217 1,222 4,226 2,235 4,239 2,240 2,247 1,252 3,264 1,274 389,275 12.748,276 12.748,277 12.748,278 12.748,279 12.748,280 11.14,281 14.032,282 7.532,283 13.395,284 10.393,285 10.393,286 10.393,287 10.393,288 10.393,289 7.887,290 15.104,291 3.584,292 11.47,293 3.036,294 1.437,295 0.92,296 0.467,297 0.4,298 0.333,299 3.686,305 1,306 1,307 1,308 326,309 3,312 50.885,313 93.862,317 79.986,320 1.186,321 27.853,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 42.5,333 150,334 4.857,335 4.686,336 7.308,337 4.294,338 3.394,339 4.708,340 0.86,341 12.508,342 3.045,343 4.265,344 3.253,345 6.182,346 3.845,347 2.906,348 3.905,349 0.86,350 9.217,351 2.718,352 3.615,353 2.492,354 5.33,355 3.176,356 2.246,357 3.084,359 6.708,360 2.076,361 3.448,362 2.178,363 4.791,364 2.879,365 1.951,366 2.787,368 5.2,369 1.79,370 2.923,371 1.988,372 4.409,373 2.53,374 1.618,375 2.061,377 4.357,378 1.469,379 2.477,380 1.787,381 3.626,382 2.319,383 1.402,384 1.476,386 3.004,387 1.272,388 2.373,389 1.121,390 3.514,391 1.806,392 0.885,393 1.288,395 2.092,396 0.797,397 2.118,398 0.996,399 3.176,400 1.597,401 0.696,402 0.927,404 1.613,405 0.62,406 1.921,407 0.618,408 3,409 1.461,410 0.618,411 0.829,413 1.372,414 0.506,415 1.212,416 0.264,417 2.978,418 0.89,419 -0.048,420 -0.057,422 -0.131,423 -0.044,424 1,425 -0.12,426 2.392,427 0.313,428 -0.618,429 -0.729,431 -1.59,432 -0.563,433 0.687,434 -0.243,435 2.314,436 0.209,437 -0.727,438 -0.85,440 -1.976,441 -0.669,442 0.561,443 -0.464,444 2,446 -1,447 -1.435,449 -2.977,450 -1,451 0.157,452 -1,453 2,454 -0.145,455 -1.109,456 -1.655,458 -3,459 -1.051,460 0.126,461 -1.014,462 2,463 -0.394,464 -1.26,465 -1.805,467 -3.041,468 -1.073,469 9.4,470 0.495,471 0.522,472 0.027,473 26.75,474 1.408,475 14.5,476 0.763,477 12.25,478 0.645,479 12.164,480 0.64,481 20.6,482 0.687,483 17.066,484 0.898,485 5.026,486 0.265,487 4.124,488 0.217,489 0.071,490 0.089,491 0.213,496 0.66,497 1.174,498 0.765,499 1.115,500 0.684,501 0.842,502 0.968,503 1.02,504 0.845,505 0.886,506 0.619,507 0.894,508 1.196,509 1.109,510 1.059,511 1.068,512 1.014,513 0.961,514 1.197,515 1.205,516 1.2,517 1.167,518 1.213,519 1.102,520 1.243,521 0.802,522 0.909,523 0.772,524 1.683,525 0.961,526 0.718,527 0.865,528 0.938,529 0.921,530 0.882,531 0.925,532 0.562,533 1.017,534 1.07,535 1.176,536 0.619,537 1.063,538 1.281,539 0.933,540 1.005,541 1.014,542 1.427,543 0.965,544 4.5,545 0.005,546 2.444,547 1.215,548 1.211,549 0.316,550 0.373,551 0.2,552 0.086,553 0.021,554 3334,555 11662,556 2.1,557 36.7,559 9,560 1,562 1,567 1.602,568 1.983,569 3.003,570 -0.146,572 1,574 1,575 56.133,576 1.871,577 3.47,578 3.987,579 4.44,580 4.507,581 4.574,582 2.465,583 3.932,584 4.224,585 3.11,586 531.874,587 7.185,588 5151.93,589 1,590 1,592 1,593 147.207,594 1.457,595 4.178,596 0.214,597 0.002,598 0.081,599 0.045,600 0.05,601 0.018,602 0.022,603 0.013,604 0.008,605 0.003,606 0.458,607 0.67,608 1,609 0.565,610 81.838,611 0.026,612 -0.111,613 0.172,614 -0.082,615 -0.165,616 0.03,617 0.034,618 -0.004,619 0.051,620 0.074,621 0.217,622 -0.035,623 -0.109,624 -0.103,625 -0.026,626 -0.056,627 -0.074,628 -0.025,629 -0.187,630 -0.199,631 -0.249,632 -0.206,633 -0.022,634 -0.191,635 -0.202,636 0.131,637 -0.048,638 0.097,639 -0.287,640 -0.005,641 0.212,642 0.102,643 0.06,644 0.059,645 0.082,646 0.078,647 0.338,648 -0.042,649 -0.013,650 -0.141,651 0.208,652 -0.056,653 -0.168,654 -0.048,655 -0.007,656 -0.05,657 -0.203,658 0.053,659 4.441,660 5.058,661 0.789,662 11.501,663 1.033,664 1.108,665 0.959,666 0.92,667 0.731,668 3.091,669 3.434,670 3.664,671 3.892,672 4.007,673 4.007,674 4.06,675 4.174,676 4.159,677 3.989,678 4.809,679 0.696,680 297.38,681 3.091,682 4.635,683 5.476,684 6.361,685 7.219,686 8.105,687 8.968,688 9.854,689 10.719,690 11.605,691 3.3,696 1,709 6,713 1,714 4,716 11,735 2,738 30,739 13,740 1,741 21,743 32,744 12,745 10,746 3,747 3,752 3,753 4,768 10,769 2,772 2,776 1,778 2,785 1,786 1,789 11,790 5,791 1,792 7,793 2,797 1,803 0.667,804 4,822 1,823 2,827 1,855 2,857 2,862 19,866 1,869 2,871 1,872 2,880 1,886 13.3,889 2,891 2,893 9.583,894 5.25,895 4.069,896 1.611,898 1.922,899 1.297,900 1.013,901 3.473,902 8.398,903 3.384,904 4.021,905 4.496,906 5.017,907 5.341,908 5.541,909 5.69,910 6.024,911 6.122,912 6.189,913 1,914 27,915 7.231,917 3.345,918 8.022,919 13.214,921 11.05,924 2.522,925 47.917,926 0.001,929 117.711,930 114.544,931 16.405,933 66.313,935 37.085,936 77.459,937 184.024,938 16.405,940 9.185,941 60.838,942 60.718,943 35.243,944 11.771,945 137.218,947 117.711,948 93.864,949 66.313,950 37.085,952 117.711,953 66.313,956 9.185,957 68.274,958 22.212,959 31.278,960 117.711,961 82.718,962 114.544,964 5.807,965 117.711,966 53.706,967 55.03,968 16.405,969 66.313,970 117.711,971 82.718,972 114.544,973 0.588,974 0.338,975 0.178,976 0.086,977 16,978 6,979 0.094,980 3,981 1,982 1.133,983 3.172,984 140.681,985 0.133,986 15,987 78.711,989 1,992 1,993 12.906,994 5.113,995 2.754,997 82.718,998 9.95,1002 1.171,1003 1.919,1005 16.405,1006 314.973,1007 28.5,1011 -3.524,1013 24.116,1020 30.982,1021 33.252,1022 0.381,1023 0.707,1024 0.812,1025 0.905,1026 0.918,1027 0.932,1028 4.623,1029 0.696,1030 5.501,1031 2.092,1032 4.111,1033 4.705,1034 1.376,1035 6.358,1036 3.93,1037 5.867,1038 0.618,1039 7.096,1040 1.613,1041 3.892,1042 4.844,1044 7.636,1045 3.625,1046 7.231,1047 -0.048,1048 8.814,1049 1.372,1050 5.808,1051 7.053,1052 1.159,1053 10.651,1054 5.448,1055 8.644,1056 -0.618,1057 10.611,1058 -0.131,1059 6.431,1060 8.033,1062 12.756,1063 5.954,1064 10.096,1065 -0.727,1066 12.46,1067 -1.59,1068 7.865,1069 9.771,1070 0.963,1071 15.395,1072 7.308,1073 11.575,1074 -1,1075 14.343,1076 -1.976,1077 8.836,1078 11.081,1080 17.774,1081 8.152,1082 13.075,1083 -1.109,1084 16.251,1085 -2.977,1086 10.109,1087 12.675,1088 0.787,1089 20.322,1090 9.34,1091 3.394,1092 -1.26,1093 18.177,1094 -3,1095 11.22,1096 14.117,1098 22.792,1099 10.326,1100 2.906,1101 12.508,1102 20.116,1103 -3.041,1104 12.443,1105 15.668,1106 0.634,1107 25.318,1108 11.453,1109 2.246,1110 9.217,1111 22.065,1112 4.708,1113 13.611,1114 17.165,1116 27.822,1117 12.5,1118 1.951,1119 6.708,1120 24.021,1121 3.905,1122 14.821,1123 18.706,1124 0.504,1125 30.345,1126 13.606,1127 1.618,1128 5.2,1129 25.984,1130 3.084,1131 16.012,1132 20.227,1134 32.861,1135 14.681,1136 1.402,1137 4.357,1138 27.952,1139 2.787,1140 17.22,1141 21.766,1142 0.395,1143 35.384,1144 15.781,1145 0.885,1146 3.004,1147 29.923,1148 2.061,1149 18.424,1150 23.3,1152 37.906,1153 16.869,1154 3215,1155 6160,1156 14.099,1157 21.926,1158 31.568,1159 32.419,1160 31.486,1161 31.357,1162 31.434,1163 42.133,1164 3.44,1165 92.144,1166 28.585,1167 5.801,1168 6.686,1169 6.995,1170 5.443,1171 5.394,1172 7.708,1173 1.72,1174 19.864,1175 5.045,1176 6.884,1177 1.503,1178 1.544,1179 1.499,1180 1.493,1181 1.497,1182 2.006,1183 0.164,1184 4.388,1185 1.361,1186 4.079,1187 4.053,1188 4.785,1189 4.11,1190 7.717,1191 3.984,1192 3.895,1193 3.89,1194 4.015,1195 3.821,1196 6.999,1197 3.812,1198 3.558,1199 3.567,1200 3.866,1201 3.492,1202 4.951,1203 3.395,1204 3.401,1205 3.419,1206 3.302,1207 3.231,1208 4.623,1209 3.221,1210 2.908,1211 2.945,1212 2.806,1213 2.741,1214 4.364,1215 2.741,1216 2.732,1217 2.772,1218 2.682,1219 2.599,1220 4.213,1221 2.597,1222 2.486,1223 2.567,1224 2.636,1225 2.376,1226 3.657,1227 2.238,1228 2.393,1229 2.471,1230 2.275,1231 2.109,1232 3.421,1233 2.122,1234 0.231,1235 0.223,1236 0.348,1237 0.204,1238 0.162,1239 4.857,1240 0.224,1241 4.686,1242 0.041,1243 7.308,1244 0.596,1245 4.294,1246 0.145,1247 3.394,1248 4.708,1249 0.86,1250 12.508,1251 3.045,1252 1.912,1253 1.91,1254 1.979,1255 2.037,1256 1.124,1257 2.037,1258 1.689,1259 1.737,1260 1.686,1261 1.793,1262 0.965,1263 1.839,1264 1.432,1265 1.401,1266 1.645,1267 1.608,1268 0.863,1269 1.633,1270 1.393,1271 1.351,1272 1.243,1273 1.496,1274 0.641,1275 1.551,1276 0.958,1277 0.955,1278 1.127,1279 1.11,1280 0.217,1281 1.144,1282 0.846,1283 0.812,1284 0.971,1285 1.022,1286 0.139,1287 1.064,1288 0.638,1289 0.627,1290 0.905,1291 0.838,1292 0.055,1293 0.857,1294 0.409,1295 0.312,1296 0.677,1297 0.79,1299 0.815,1300 3.761,1302 5.094,1303 2.398,1304 6.621,1305 4.443,1306 8.237,1307 6.326,1308 9.897,1315 0.974,1317 2.518,1318 10.793,1326 20.889,1327 56.133,1328 104.087,1329 119.597,1330 133.207,1331 135.207,1332 137.207,1333 32.385,1334 6.475,1335 64.63,1336 101.25,1337 17,1338 12.141,1339 3.807,1340 3.087,1341 27.851,1342 55,1343 45,1344 0.254,1345 134.102,1346 227.26,1347 318.97,1348 4812,1350 13.295,1351 0.7,1352 0.603,1353 13.898,1354 11.461,1355 9.15,1356 0.436,1357 0.38,1358 5.707,1359 7.567,1360 5.42,1361 4.437,1362 10.425,1363 7.973,1364 8.658,1365 0.289,1366 0.225,1367 10.577,1368 6.753,1369 6.923,1370 0.182,1371 0.14,1372 8.982,1373 5.333,1374 5.774,1375 0.12,1376 0.079,1377 7.608,1378 3.771,1379 4.15,1380 0.077,1381 0.043,1382 5.445,1383 2.333,1384 0.39,1385 70.849,1386 0.266,1387 18.897,1388 0.722,1389 102,1390 372.996,1391 179.856,1392 387.345,1393 518.92,1394 358,1395 119,1396 333.412,1397 199.023,1398 381.551,1399 559.08,1400 357,1401 5.536}
{0 CHEMBL1578521,1 1.68,2 9.318,3 4.435,4 19.673,5 88.001,6 9.158,7 0.522,8 3.71,9 3.774,10 3.493,11 3.311,12 4.921,13 3.274,14 4.19,15 4.309,16 3.869,17 3.632,18 5.353,19 3.586,20 4.258,21 4.336,22 3.975,23 3.765,24 5.527,25 3.693,26 4.356,27 4.458,28 3.877,29 3.727,30 5.615,31 3.654,32 4.447,33 4.583,34 3.917,35 3.667,36 5.727,37 3.608,38 4.361,39 4.523,40 3.624,41 3.634,42 5.541,43 3.514,44 4.397,45 4.638,46 3.482,47 3.527,48 5.489,49 3.361,50 4.043,51 4.234,52 3.282,53 3.239,54 5.123,55 3.149,56 0.083,57 0.437,58 5.523,59 3.698,60 5.326,61 3.893,62 0.379,63 0.686,64 15.002,65 6.258,66 24.476,67 6.011,68 0.415,69 0.744,70 16.636,71 7.122,72 22.259,73 7.002,74 0.411,75 0.826,76 20.281,77 7.99,78 30.78,79 7.628,80 0.764,81 0.859,82 23.222,83 7.881,84 58.523,85 7.234,86 0.453,87 0.829,88 16.328,89 7.423,90 39.061,91 8.143,92 0.507,93 0.885,94 29.95,95 9.313,96 63.314,97 10.395,98 0.341,99 0.585,100 17.186,101 5.799,102 32.407,103 6.114,104 35,105 31,106 0.306,107 0.585,108 0.646,109 0.706,110 0.72,111 0.76,112 3.146,113 0.986,114 -3.84,115 -3.8,116 -3.61,120 43.2,125 3,143 6,144 1,145 5,159 1,174 4,177 4,185 8,188 2,189 6,197 8,200 1,201 5,209 2,213 2,214 4,222 7,226 1,227 1,235 4,240 5,247 1,252 6,260 2,264 2,274 648,275 14.834,276 14.834,277 14.834,278 14.834,279 14.834,280 13.242,281 14.946,282 8.626,283 15.65,284 11.125,285 11.125,286 11.125,287 11.125,288 11.125,289 8.528,290 13.929,291 3.809,292 12.202,293 3.53,294 1.995,295 1.663,296 1.332,297 1.258,298 1.034,299 3.804,303 1,306 1,307 1,308 417,309 3.162,313 158.169,320 1.409,321 24.767,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48.333,333 205,334 4.457,335 4.741,336 6.548,337 4.049,338 3.097,339 4.143,340 3.973,341 10.348,342 2.945,343 4.065,344 3.513,345 5.991,346 3.643,347 2.721,348 3.633,349 0.86,350 8.475,351 2.488,352 3.862,353 3.33,354 5.388,355 3.429,356 2.48,357 3.257,358 0.86,359 7.036,360 2.321,361 3.385,362 2.875,363 5.19,364 2.972,365 2.061,366 2.676,367 0.86,368 6.118,369 1.867,370 3.355,371 2.555,372 4.897,373 2.911,374 2.042,375 2.604,377 5.701,378 1.684,379 2.794,380 2.119,381 4.211,382 2.29,383 1.356,384 1.816,386 3.593,387 1.232,388 2.5,389 1.815,390 3.627,391 2,392 1.023,393 1.5,395 2.275,396 1,397 2.139,398 1.624,399 3.414,400 1.874,401 1,402 1.108,404 2.107,405 0.856,406 1.576,407 1,408 2.859,409 1.27,410 0.396,411 0.452,413 0.603,414 0.342,415 1.412,416 0.992,417 2.748,418 1.15,419 0.314,420 0.335,422 0.407,423 0.26,424 1.389,425 0.947,426 2.486,427 0.918,428 0.072,429 0.089,431 0.156,432 0.053,433 0.833,434 0.916,435 2.294,436 0.454,437 -0.46,438 -0.538,440 -0.817,441 -0.383,442 0.696,443 0.128,444 2.082,445 0.24,446 -0.676,447 -0.856,449 -1.609,450 -0.512,451 0.65,452 -0.019,453 2,454 0.186,455 -0.694,456 -0.878,458 -1.641,459 -0.637,460 0.5,461 -0.339,462 1.7,464 -1,465 -1.491,467 -3,468 -1,469 10.881,470 0.495,471 0.503,472 0.023,473 29,474 1.318,475 15.5,476 0.705,477 13.5,478 0.614,479 16.273,480 0.74,481 23.919,482 0.646,483 21.056,484 0.957,485 6.093,486 0.277,487 4.49,488 0.204,489 0.234,491 0.322,496 0.775,497 1.132,498 0.614,499 0.942,500 0.623,501 0.891,502 1.286,503 0.694,504 0.717,505 0.64,506 0.85,507 0.585,508 0.898,509 1.09,510 1.137,511 1.134,512 0.83,513 0.999,514 1.137,515 1.303,516 1.234,517 1.357,518 1.289,519 1.175,520 1.402,521 0.899,522 0.709,523 0.803,524 1.345,525 0.906,526 0.891,527 1.171,528 0.779,529 1.028,530 1.171,531 1.207,532 0.749,533 0.923,534 0.988,535 1.055,536 1.278,537 0.886,538 1.19,539 0.935,540 0.969,541 0.92,542 1.071,543 0.862,544 5,545 0.107,546 2.667,547 1.5,548 1.787,549 0.792,550 0.365,551 0.299,552 0.156,553 0.131,554 4407,555 16456,556 1.944,557 40.5,559 15,567 1.647,568 1.784,569 3.185,570 -0.717,572 1,575 62.146,576 1.68,577 3.214,578 3.546,579 3.877,580 3.952,581 4.175,582 2.681,583 3.516,584 4.43,585 3.318,586 766.562,587 7.62,588 8420.16,590 1,592 1,593 192.75,594 1.529,595 4.365,596 0.217,597 0.013,598 0.086,599 0.044,600 0.058,601 0.028,602 0.017,603 0.016,604 0.009,605 0.01,606 0.498,607 0.33,608 1,609 1.08,610 100.965,611 -0.039,612 -0.112,613 0.038,614 -0.045,615 -0.066,616 -0.023,617 -0.198,618 0.32,619 0.145,620 0.338,621 -0.077,622 0.329,623 0.081,624 -0.057,625 -0.112,626 -0.07,627 0.032,628 -0.089,629 -0.077,630 -0.273,631 -0.238,632 -0.289,633 -0.097,634 -0.258,635 -0.081,636 0.087,637 0.067,638 0.115,639 -0.026,640 -0.02,641 -0.014,642 -0.198,643 -0.068,644 -0.139,645 -0.064,646 -0.265,647 0.063,648 0.076,649 0.08,650 0.044,651 0.051,652 0.205,653 -0.156,654 0.036,655 -0.02,656 0.058,657 -0.066,658 0.131,659 1.79,660 5.413,661 0.545,662 16.959,663 1.021,664 1.109,665 2.611,666 6.817,667 0.714,668 3.178,669 3.466,670 3.714,671 3.912,672 4.111,673 4.043,674 4.043,675 3.951,676 3.892,677 3.892,678 5.482,679 0.678,680 338.83,681 3.178,682 4.691,683 5.525,684 6.389,685 7.244,686 8.11,687 8.971,688 9.839,689 10.704,690 11.573,709 6,714 6,716 12,727 1,735 3,737 1,738 37,739 13,740 2,741 23,743 38,744 16,745 12,746 6,747 6,748 1,752 2,753 2,754 1,768 13,769 3,772 1,778 1,782 1,786 1,789 15,790 4,792 6,793 2,803 1,804 4,823 2,855 2,857 1,859 3,860 1,862 22,872 3,873 1,885 1,886 10.8,889 1,891 3,893 12.333,894 7.726,895 5.167,896 1.862,898 2.149,899 1.336,900 0.929,901 5.999,902 8.541,903 3.434,904 4.007,905 4.559,906 5.066,907 5.584,908 5.657,909 5.828,910 5.829,911 6.031,912 6.36,913 1,914 34,915 8.075,917 3.262,918 7.914,919 14.999,921 11.377,924 2.414,925 53.111,929 176.567,930 149.192,932 39.149,933 58.145,935 32.22,936 116.972,937 273.86,939 32.649,941 56.857,942 28.644,943 56.967,945 208.786,946 39.149,947 176.567,948 116.972,949 58.145,950 71.368,952 176.567,953 58.145,957 116.972,958 39.149,959 32.22,960 176.567,961 58.145,962 188.341,965 176.567,966 59.685,967 89.507,969 97.293,970 176.567,971 58.145,972 188.341,973 0.567,974 0.35,975 0.188,976 0.105,977 13,978 7,979 0.158,980 6,982 1,983 3.301,984 162.984,986 12,987 86.107,989 1,993 16.998,994 7.765,995 4.103,997 58.145,998 10.337,1003 3.254,1006 423.052,1007 30,1013 12.413,1017 -0.124,1020 37.778,1021 41.023,1022 0.322,1023 0.617,1024 0.681,1025 0.744,1026 0.759,1027 0.801,1028 4.644,1029 1,1030 5.509,1031 2.275,1032 4.143,1033 4.691,1034 3.611,1035 6.304,1036 3.976,1037 5.851,1038 0.396,1039 7.067,1040 2.107,1041 3.761,1042 4.543,1044 7.209,1045 3.498,1046 7.159,1047 0.314,1048 8.722,1049 0.603,1050 5.727,1051 6.877,1052 6.22,1053 10.259,1054 5.438,1055 8.503,1056 0.072,1057 10.431,1058 0.407,1059 6.133,1060 7.49,1062 11.95,1063 5.752,1064 9.875,1065 -0.46,1066 12.175,1067 0.156,1068 7.577,1069 9.326,1070 8.97,1071 14.535,1072 7.185,1073 11.266,1074 -0.676,1075 13.942,1076 -0.817,1077 8.346,1078 10.296,1080 16.57,1081 7.871,1082 12.672,1083 -0.694,1084 15.727,1085 -1.609,1086 9.583,1087 11.919,1088 11.729,1089 18.991,1090 9.093,1091 3.097,1092 -1,1093 17.526,1094 -1.641,1095 10.528,1096 13.08,1098 21.184,1099 9.966,1100 2.721,1101 10.348,1102 19.335,1103 -3,1104 11.682,1105 14.598,1106 14.488,1107 23.545,1108 11.097,1109 2.48,1110 8.475,1111 21.154,1112 4.143,1113 12.713,1114 15.866,1116 25.811,1117 12.065,1118 2.061,1119 7.036,1120 22.981,1121 3.633,1122 13.837,1123 17.331,1124 17.247,1125 28.151,1126 13.158,1127 2.042,1128 6.118,1129 24.814,1130 3.257,1131 14.91,1132 18.66,1134 30.451,1135 14.175,1136 1.356,1137 5.701,1138 26.652,1139 2.676,1140 16.025,1141 20.098,1142 20.005,1143 32.785,1144 15.253,1145 1.023,1146 3.593,1147 28.496,1148 2.604,1149 17.12,1150 21.462,1152 35.102,1153 16.297,1154 4549,1155 8902,1156 14.622,1157 26.415,1158 33.173,1159 37.182,1160 35.832,1161 33.116,1162 33.125,1163 43.227,1164 13.105,1165 93.636,1166 30.098,1167 5.285,1168 6.741,1169 6.09,1170 5.163,1171 5.097,1172 7.143,1173 7.945,1174 17.269,1175 4.945,1176 13.03,1177 1.442,1178 1.617,1179 1.558,1180 1.44,1181 1.44,1182 1.879,1183 0.57,1184 4.071,1185 1.309,1186 3.965,1187 3.967,1188 4.108,1189 3.914,1190 7.427,1191 3.897,1192 3.862,1193 3.877,1194 3.911,1195 3.805,1196 4.969,1197 3.802,1198 3.362,1199 3.372,1200 3.69,1201 3.229,1202 4.929,1203 3.199,1204 3.303,1205 3.355,1206 3.203,1207 3.006,1208 4.58,1209 3.026,1210 3.21,1211 3.284,1212 3.144,1213 2.927,1214 4.461,1215 2.911,1216 3.035,1217 3.068,1218 2.995,1219 2.884,1220 4.302,1221 2.857,1222 2.854,1223 2.925,1224 2.889,1225 2.735,1226 4.131,1227 2.715,1228 2.791,1229 2.807,1230 2.687,1231 2.667,1232 3.674,1233 2.655,1234 0.194,1235 0.206,1236 0.285,1237 0.176,1238 0.135,1239 4.457,1240 0.18,1241 4.741,1242 0.173,1243 6.548,1244 0.45,1245 4.049,1246 0.128,1247 3.097,1248 4.143,1249 3.973,1250 10.348,1251 2.945,1252 1.902,1253 1.897,1254 1.953,1255 1.999,1256 1.096,1257 1.988,1258 1.845,1259 1.832,1260 1.925,1261 1.916,1262 1.041,1263 1.934,1264 1.255,1265 1.239,1266 1.59,1267 1.558,1268 0.584,1269 1.565,1270 1.227,1271 1.163,1272 1.573,1273 1.529,1274 0.577,1275 1.541,1276 1.164,1277 1.079,1278 1.546,1279 1.485,1280 0.565,1281 1.506,1282 0.989,1283 0.954,1284 1.181,1285 1.152,1286 0.218,1287 1.153,1288 0.886,1289 0.821,1290 1.004,1291 1.062,1292 0.208,1293 1.107,1294 0.741,1295 0.718,1296 0.988,1297 0.918,1298 0.09,1299 0.951,1300 3.85,1302 5.142,1304 6.642,1306 8.237,1308 9.881,1310 4.542,1311 5.837,1318 15.745,1319 1.108,1326 25.088,1327 62.146,1328 118.936,1329 131.201,1330 143.466,1331 146.22,1332 154.485,1333 43.616,1334 6.392,1335 44.76,1336 70.06,1337 12,1338 12.117,1339 3.807,1340 3,1341 42.168,1342 71,1343 78,1344 0.294,1345 164.418,1346 289.24,1347 392.94,1348 4073,1349 2.7,1350 16.113,1351 0.732,1352 0.634,1353 16.966,1354 13.956,1355 10.583,1356 0.46,1357 0.329,1358 6.327,1359 9.279,1360 5.961,1361 5.012,1362 11.28,1363 7.559,1364 8.979,1365 0.29,1366 0.185,1367 10.116,1368 5.74,1369 7.587,1370 0.19,1371 0.103,1372 8.599,1373 4.106,1374 5.962,1375 0.122,1376 0.055,1377 6.819,1378 2.715,1379 4.883,1380 0.081,1381 0.035,1382 5.948,1383 2.077,1384 0.454,1385 74.681,1386 0.262,1387 21.6,1388 0.826,1389 108,1390 406.006,1391 160.991,1392 426.044,1393 556.86,1394 398,1395 125,1396 348.878,1397 166.318,1398 381.454,1399 552.3,1400 352,1401 5.827}
{0 CHEMBL1578997,1 1.69,2 9.348,3 2.821,4 7.955,5 87.691,6 9.931,7 0.48,8 3.632,9 3.695,10 3.418,11 3.287,12 4.978,13 3.294,14 4.074,15 4.145,16 3.827,17 3.667,18 5.537,19 3.664,20 4.364,21 4.478,22 4.048,23 3.785,24 5.849,25 3.785,26 4.396,27 4.522,28 3.947,29 3.679,30 5.938,31 3.676,32 4.239,33 4.372,34 3.767,35 3.525,36 5.807,37 3.505,38 4.027,39 4.154,40 3.566,41 3.399,42 5.482,43 3.348,44 3.895,45 4.023,46 3.271,47 3.246,48 5.288,49 3.204,50 3.722,51 3.86,52 3.159,53 3.09,54 5.068,55 3.056,56 0.145,57 0.391,58 3.031,59 2.574,60 23.445,61 2.382,62 0.27,63 0.607,64 4.883,65 4.206,66 51.27,67 4.19,68 0.469,69 0.826,70 11.294,71 5.922,72 64.356,73 5.993,74 0.637,75 0.825,76 15.043,77 6.477,78 99.234,79 5.999,80 0.612,81 0.69,82 14.161,83 5.725,84 116.371,85 5.288,86 0.451,87 0.555,88 14.148,89 4.651,90 59.927,91 4.477,92 0.386,93 0.481,94 11.461,95 4.083,96 66.728,97 3.672,98 0.223,99 0.414,100 6.207,101 3.46,102 43.688,103 3.729,104 27,105 36,106 0.308,107 0.59,108 0.698,109 0.808,110 0.841,111 0.863,112 3.189,113 0.846,114 -3.88,115 -3.83,116 -3.64,120 51.5,139 2,143 8,144 3,145 1,158 2,159 1,168 1,172 1,174 10,175 1,177 3,180 1,182 3,185 10,186 2,189 7,192 1,194 6,197 6,198 2,201 7,204 1,206 5,209 2,213 1,214 4,219 2,220 1,222 6,227 4,230 1,231 1,232 1,235 9,240 3,247 10,252 1,253 1,260 8,261 2,263 1,264 2,265 1,267 1,269 2,271 4,272 2,274 706,275 15.19,276 15.19,277 15.19,278 15.19,279 15.19,280 13.151,281 11.708,282 8.711,283 15.282,284 12.254,285 12.254,286 12.254,287 12.254,288 12.254,289 9.085,290 15.221,291 4.069,292 12.442,293 3.355,294 1.803,295 1.212,296 0.606,297 0.424,298 0.303,299 3.864,303 1,305 1,306 1,307 1,308 457,309 2.828,313 185.902,317 100.426,320 1.35,321 39.382,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 50.833,333 215,334 4.652,335 3.846,336 6.948,337 4.289,338 3.297,339 4.252,340 1.437,341 11.605,342 3.268,343 4.169,344 3.576,345 6.048,346 3.785,347 2.788,348 3.76,349 0.4,350 8.548,351 2.77,352 3.934,353 3.399,354 5.924,355 3.511,356 2.536,357 3.403,359 8.176,360 2.486,361 3.705,362 2.806,363 5.857,364 3.353,365 2.354,366 3.006,368 7.602,369 2.312,370 3.605,371 2.536,372 5.261,373 3.189,374 2.201,375 2.89,377 6.58,378 2.137,379 2.965,380 2.212,381 4.112,382 2.467,383 1.469,384 2.139,386 3.227,387 1.455,388 2.773,389 1.933,390 3.891,391 2.265,392 1.273,393 1.778,395 3.045,396 1.238,397 2.559,398 1.357,399 3.771,400 2.082,401 1.092,402 1.551,404 2.809,405 1.067,406 2.5,407 1.35,408 3.464,409 2,410 1,411 1.5,413 2.275,414 1,415 2.317,416 1.26,417 3.414,418 1.67,419 0.607,420 0.95,422 1.541,423 0.631,424 1.69,425 1,426 3.142,427 1.288,428 0.412,429 0.496,431 0.989,432 0.306,433 1.052,434 0.47,435 2.63,436 0.655,437 -0.296,438 -0.367,440 -0.719,441 -0.264,442 0.926,443 0.069,444 2,445 0.449,446 -0.6,447 -0.856,449 -1.393,450 -0.602,451 0.609,452 -0.061,453 2,454 0.126,455 -0.887,456 -1.201,458 -2,459 -0.843,460 0.5,461 -0.54,462 2,463 0.022,464 -1,465 -1.315,467 -2.127,468 -0.902,469 10.948,470 0.476,471 0.686,472 0.03,473 32.75,474 1.424,475 18.5,476 0.804,477 14.25,478 0.62,479 14.829,480 0.645,481 23.252,482 0.705,483 25.248,484 1.098,485 6.773,486 0.294,487 4.213,488 0.183,489 0.187,491 0.411,496 0.682,497 0.882,498 0.538,499 0.704,500 0.645,501 0.675,502 0.534,503 1.145,504 0.606,505 0.937,506 0.532,507 0.906,508 0.713,509 1.143,510 0.742,511 1.041,512 0.733,513 0.963,514 1.177,515 1.083,516 1.055,517 1.043,518 1.192,519 1.028,520 1.302,521 0.951,522 1.169,523 0.847,524 1.262,525 0.914,526 1.139,527 0.855,528 1.773,529 1.077,530 1.027,531 1.114,532 1.339,533 0.788,534 1.572,535 1.044,536 1.29,537 1.126,538 0.843,539 1.074,540 0.738,541 1.083,542 0.955,543 1.109,544 4.5,545 0.083,546 3.333,547 2.125,548 1.911,549 0.931,550 0.464,551 0.264,552 0.217,553 0.158,554 5241,555 20531,556 2.016,557 30.3,559 8,562 2,567 1.658,568 1.84,569 3.174,570 0.321,572 1,574 1,575 55.759,576 1.69,577 3.241,578 3.832,579 4.438,580 4.62,581 4.741,582 2.653,583 4.143,584 4.494,585 3.328,586 842.045,587 7.741,588 9320.69,589 1,590 1,591 1,592 1,593 166.465,594 1.538,595 4.428,596 0.18,597 0.009,598 0.093,599 0.053,600 0.056,601 0.033,602 0.02,603 0.014,604 0.013,605 0.011,606 0.482,607 0.5,608 1,609 0.872,610 106.511,611 -0.088,612 0.112,613 -0.023,614 0.115,615 -0.097,616 0.086,617 0.093,618 -0.174,620 -0.093,621 0.077,622 -0.103,623 0.085,624 -0.129,625 0.12,626 -0.129,627 0.042,628 -0.051,629 -0.114,630 -0.094,631 -0.021,632 -0.067,633 -0.115,634 -0.062,635 -0.18,636 0.021,637 -0.028,638 0.169,639 -0.107,640 0.092,641 -0.154,642 0.132,643 -0.352,644 -0.05,645 -0.128,646 -0.125,647 -0.332,648 0.16,649 -0.431,650 -0.038,651 -0.284,652 -0.138,653 -0.041,654 -0.164,655 0.043,656 -0.115,657 -0.112,658 -0.077,659 2.716,660 5.501,661 0.696,662 16.847,663 1.035,664 1.102,665 2.646,666 7,667 0.742,668 3.258,669 3.611,670 3.912,671 4.143,672 4.394,673 4.431,674 4.466,675 4.554,676 4.663,677 4.543,678 5.491,679 0.738,680 327.73,681 3.258,682 4.812,683 5.68,684 6.569,685 7.456,686 8.351,687 9.244,688 10.142,689 11.039,690 11.939,691 3,696 1,709 8,714 4,716 12,721 2,725 1,729 1,738 33,739 16,740 2,741 25,743 35,744 17,745 12,746 4,747 8,748 5,749 1,752 3,753 4,754 1,768 17,771 1,772 4,778 3,782 5,785 1,786 1,789 10,790 5,791 2,792 6,793 1,797 1,803 0.667,804 4,823 3,827 1,845 2,853 1,855 2,860 1,862 23,868 1,871 1,885 1,886 12.1,888 1,889 3,893 12.5,894 6.01,895 5.028,896 1.829,898 2.808,899 1.401,900 0.977,901 3.927,902 9.812,903 3.584,904 4.19,905 4.787,906 5.302,907 5.834,908 6.026,909 6.321,910 6.606,911 6.987,912 7.108,913 1,914 40,915 8.528,917 3.831,918 8.309,919 15.296,921 12.543,924 2.809,925 64.611,929 94.169,930 105.558,931 18.011,932 39.149,933 118.118,936 105.558,937 251.436,938 18.011,941 75.81,942 153.563,943 12.313,945 94.169,946 39.149,947 94.169,948 123.568,949 118.118,950 39.149,952 94.169,953 118.118,957 99.3,958 63.417,960 94.169,961 136.129,962 144.706,965 94.169,966 29.748,967 75.81,968 18.011,969 157.267,970 94.169,971 136.129,972 144.706,973 0.594,974 0.361,975 0.186,976 0.101,977 18,978 9,979 0.086,980 3,981 1,982 1.125,983 3.396,984 186.726,985 0.125,986 16,987 100.042,993 15.317,994 5.897,995 2.733,997 136.129,998 12.229,1003 1.136,1005 60.694,1006 375.004,1007 35,1013 35.584,1017 -2.055,1020 34.153,1021 36.356,1022 0.335,1023 0.643,1024 0.76,1025 0.88,1026 0.916,1027 0.94,1028 4.828,1029 1.092,1030 5.694,1031 3.045,1032 4.29,1033 4.875,1034 1.695,1035 6.55,1036 4.262,1037 6.065,1038 1,1039 7.294,1040 2.809,1041 4.007,1042 4.745,1044 7.557,1045 3.958,1046 7.394,1047 0.607,1048 8.996,1049 2.275,1050 5.932,1051 7.075,1052 2.259,1053 10.684,1054 5.885,1055 8.759,1056 0.412,1057 10.755,1058 1.541,1059 6.447,1060 7.728,1062 12.486,1063 6.381,1064 10.155,1065 -0.296,1066 12.551,1067 0.989,1068 7.879,1069 9.552,1070 2.923,1071 15.167,1072 7.814,1073 11.572,1074 -0.6,1075 14.371,1076 -0.719,1077 8.746,1078 10.568,1080 17.31,1081 8.668,1082 13.007,1083 -0.887,1084 16.208,1085 -1.393,1086 10,1087 12.18,1088 3.619,1089 19.845,1090 9.919,1091 3.297,1092 -1,1093 18.059,1094 -2,1095 11.031,1096 13.385,1098 22.149,1099 10.941,1100 2.788,1101 11.605,1102 19.92,1103 -2.127,1104 12.223,1105 14.899,1106 4.33,1107 24.631,1108 12.128,1109 2.536,1110 8.548,1111 21.791,1112 4.252,1113 13.333,1114 16.207,1116 27.012,1117 13.229,1118 2.354,1119 8.176,1120 23.671,1121 3.76,1122 14.509,1123 17.675,1124 5.047,1125 29.476,1126 14.398,1127 2.201,1128 7.602,1129 25.557,1130 3.403,1131 15.656,1132 19.04,1134 31.893,1135 15.536,1136 1.469,1137 6.58,1138 27.449,1139 3.006,1140 16.831,1141 20.489,1142 5.769,1143 34.349,1144 16.704,1145 1.273,1146 3.227,1147 29.347,1148 2.89,1149 17.997,1150 21.885,1152 36.784,1153 17.861,1154 5181,1155 10344,1156 16.126,1157 24.489,1158 38.935,1159 41.485,1160 40.304,1161 38.149,1162 38.057,1163 51.451,1164 3.673,1165 112.793,1166 37.34,1167 5.536,1168 5.846,1169 6.627,1170 5.295,1171 5.297,1172 7.252,1173 2.873,1174 19.605,1175 5.268,1176 13.149,1177 1.557,1178 1.659,1179 1.612,1180 1.526,1181 1.522,1182 2.058,1183 0.147,1184 4.512,1185 1.494,1186 4.037,1187 4.049,1188 4.081,1189 3.967,1190 7.475,1191 3.973,1192 3.904,1193 3.924,1194 3.857,1195 3.838,1196 7.436,1197 3.838,1198 3.545,1199 3.565,1200 3.677,1201 3.447,1202 7.419,1203 3.449,1204 3.285,1205 3.275,1206 3.292,1207 3.041,1208 6.351,1209 3.086,1210 3.128,1211 3.116,1212 3.149,1213 2.931,1214 4.822,1215 2.963,1216 2.854,1217 2.925,1218 2.992,1219 2.735,1220 4.682,1221 2.715,1222 2.846,1223 2.889,1224 2.693,1225 2.672,1226 4.63,1227 2.677,1228 2.682,1229 2.719,1230 2.687,1231 2.479,1232 3.943,1233 2.496,1234 0.186,1235 0.154,1236 0.278,1237 0.172,1238 0.132,1239 4.652,1240 0.17,1241 3.846,1242 0.057,1243 6.948,1244 0.464,1245 4.289,1246 0.131,1247 3.297,1248 4.252,1249 1.437,1250 11.605,1251 3.268,1252 1.983,1253 1.972,1254 2.049,1255 2.069,1256 1.166,1257 2.063,1258 1.891,1259 1.87,1260 1.991,1261 1.979,1262 1.08,1263 1.983,1264 1.491,1265 1.474,1266 1.551,1267 1.63,1268 0.65,1269 1.617,1270 1.126,1271 1.125,1272 1.226,1273 1.415,1274 0.243,1275 1.348,1276 1.013,1277 1.005,1278 1.184,1279 1.234,1280 0.218,1281 1.195,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.214,1287 1.107,1288 0.752,1289 0.72,1290 0.942,1291 1.036,1293 1.015,1294 0.602,1295 0.576,1296 0.745,1297 0.867,1299 0.844,1300 3.932,1302 5.273,1304 6.825,1306 8.475,1308 10.179,1311 6.04,1314 8.876,1317 2.802,1326 24.342,1327 55.759,1328 106.955,1329 126.465,1330 146.465,1331 152.465,1332 156.465,1333 56.735,1334 7.004,1335 83.47,1336 83.47,1337 18,1338 12.461,1339 4.087,1340 3.459,1341 36.854,1342 74,1343 79,1344 0.246,1345 153.498,1346 278.75,1347 366.296,1348 9323,1349 3,1350 16.56,1351 0.72,1352 0.54,1353 17.06,1354 12.425,1355 10.986,1356 0.439,1357 0.282,1358 6.63,1359 10.386,1360 6.482,1361 5.337,1362 11.275,1363 7.052,1364 10.114,1365 0.281,1366 0.147,1367 10.447,1368 5.278,1369 8.845,1370 0.181,1371 0.078,1372 9.322,1373 3.824,1374 6.975,1375 0.112,1376 0.041,1377 7.318,1378 2.532,1379 5.687,1380 0.071,1381 0.022,1382 5.974,1383 1.747,1384 0.378,1385 71.81,1386 0.249,1387 22.303,1388 0.694,1389 122,1390 437.893,1391 148.209,1392 450.913,1393 585.78,1394 414,1395 146,1396 390.056,1397 170.995,1398 405.473,1399 597.37,1400 381,1401 5.205}
{0 CHEMBL1579258,1 1.713,2 11.44,3 4.075,4 16.606,5 102.151,6 7.837,7 0.407,8 3.925,9 4.047,10 3.581,11 3.47,12 5.037,13 3.427,14 4.45,15 4.631,16 3.93,17 3.818,18 5.485,19 3.762,20 4.593,21 4.787,22 3.979,23 3.929,24 5.691,25 3.858,26 4.713,27 4.932,28 3.921,29 3.981,30 5.719,31 3.856,32 4.759,33 5.014,34 3.993,35 3.939,36 5.732,37 3.796,38 4.674,39 4.934,40 3.727,41 3.815,42 5.618,43 3.663,44 4.464,45 4.704,46 3.397,47 3.645,48 5.413,49 3.471,50 4.329,51 4.622,52 3.272,53 3.399,54 5.152,55 3.259,56 0.056,57 0.767,58 9.644,59 4.439,60 7.54,61 5.456,62 0.255,63 1.198,64 21.607,65 7.155,66 19.289,67 9.011,68 0.413,69 1.429,70 23.147,71 7.689,72 31.233,73 9.926,74 0.281,75 1.504,76 25.989,77 9.726,78 34.308,79 12.37,80 0.439,81 1.484,82 33.771,83 10.393,84 43.175,85 13.233,86 0.493,87 1.27,88 32.48,89 9.545,90 47.059,91 11.909,92 0.339,93 1.082,94 25.738,95 8.083,96 33.564,97 9.929,98 0.329,99 0.815,100 22.249,101 6.546,102 25.496,103 8.922,104 20,105 37,106 0.296,107 0.624,108 0.796,109 0.847,110 0.877,111 0.877,112 3.266,113 1.004,114 -4.37,115 -4.3,116 -4.06,120 39.1,121 2,125 1,126 3,143 5,144 1,145 2,153 2,158 1,160 1,167 1,174 4,177 6,180 1,182 2,185 4,188 1,189 3,192 1,194 2,197 4,200 1,201 3,206 1,209 3,213 1,214 10,219 1,222 3,227 4,232 1,235 2,239 1,240 1,243 1,245 1,247 1,251 1,252 1,257 1,260 3,264 1,271 4,274 895,275 16.922,276 16.922,277 16.922,278 16.922,279 16.922,280 14.937,281 17.402,282 10.136,283 17.616,284 13.266,285 13.266,286 13.266,287 13.266,288 13.266,289 10.357,290 17.079,291 4.749,292 14.325,293 3.811,294 1.909,295 0.91,296 0.614,297 0.441,298 0.441,299 3.947,305 1,306 1,307 1,308 604,309 2.828,312 75.811,313 176.087,320 1.898,321 21.96,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 54.5,333 286,334 4.571,335 4.531,336 6.77,337 4.167,338 3.207,339 4.288,340 3.83,341 11.005,342 3.083,343 4.201,344 3.4,345 6.065,346 3.784,347 2.848,348 3.794,349 1.218,350 8.763,351 2.666,352 3.959,353 3.167,354 5.942,355 3.512,356 2.587,357 3.334,358 0.86,359 8.221,360 2.395,361 3.605,362 3.004,363 5.292,364 3.137,365 2.244,366 2.849,367 0.327,368 6.696,369 1.978,370 3.045,371 2.601,372 4.867,373 2.682,374 1.711,375 2.195,377 4.873,378 1.658,379 2.893,380 2.182,381 4.429,382 2.545,383 1.622,384 2.054,386 4.175,387 1.495,388 2.849,389 2.047,390 4.128,391 2.393,392 1.42,393 1.962,395 3.637,396 1.373,397 2.785,398 1.875,399 3.599,400 2.358,401 1.414,402 1.829,404 2.967,405 1.319,406 2.414,407 1.596,408 3.548,409 2.089,410 1.18,411 1.393,413 2.583,414 1.062,415 2.153,416 1.498,417 3.414,418 1.864,419 1,420 1.087,422 2.275,423 0.842,424 1.53,425 1.015,426 2.985,427 1.376,428 0.463,429 0.484,431 0.895,432 0.419,433 1.455,434 0.74,435 2.752,436 1.125,437 0.216,438 0.255,440 0.498,441 0.194,442 0.919,443 0.599,444 2.476,445 0.701,446 -0.217,447 -0.232,449 -0.405,450 -0.194,451 0.812,452 0.272,453 2.186,454 0.575,455 -0.34,456 -0.375,458 -0.734,459 -0.306,460 0.648,461 0.203,462 2,463 0.272,464 -0.675,465 -0.814,467 -1.649,468 -0.618,469 12.052,470 0.482,471 0.575,472 0.023,473 29.5,474 1.18,475 13.5,476 0.54,477 16,478 0.64,479 22.744,480 0.91,481 27.548,482 0.599,483 20.061,484 0.802,485 5.923,486 0.237,487 6.174,488 0.247,489 0.148,491 0.324,494 1,496 0.694,497 1.151,498 0.739,499 1.025,500 0.567,501 0.981,502 0.993,503 1.111,504 0.927,505 1.009,506 0.661,507 0.853,508 1.014,509 1.027,510 0.98,511 0.931,512 0.921,513 0.971,514 0.958,515 1.179,516 0.977,517 1.088,518 1.064,519 1.178,520 0.746,521 0.929,522 0.974,523 1.043,524 0.633,525 0.938,526 1.041,527 0.78,528 1.216,529 0.958,530 0.678,531 0.862,532 0.93,533 1.05,534 1.55,535 1.391,536 1.003,537 1.287,538 0.677,539 0.654,540 0.792,541 0.771,542 0.454,543 0.712,544 4.5,545 0.163,546 3.111,547 2.139,548 1.539,549 0.796,550 0.382,551 0.313,552 0.175,553 0.179,554 7302,555 20608,556 2.038,557 45.7,559 14,562 1,563 6,567 1.676,568 1.899,569 3.443,570 -0.277,572 1,575 78.787,576 1.713,577 3.614,578 4.613,579 4.909,580 5.083,581 5.083,582 2.973,583 4.374,584 4.611,585 3.62,586 1086.09,587 7.957,588 13407.1,590 1,592 1,593 254.084,594 1.44,595 4.569,596 0.167,597 0.009,598 0.084,599 0.056,600 0.047,601 0.025,602 0.014,603 0.016,604 0.01,605 0.009,606 0.437,607 0.17,608 1,609 1.166,610 122.038,611 0.016,612 -0.09,613 0.072,614 -0.023,615 -0.012,616 -0.011,617 -0.051,618 -0.129,619 0.091,620 0.035,621 0.015,622 0.118,623 -0.023,624 0.066,625 -0.063,626 0.017,627 0.007,628 -0.043,629 -0.079,630 -0.146,631 -0.076,632 -0.13,633 -0.084,634 -0.207,635 0.09,636 -0.025,637 0.163,638 0.014,639 0.1,640 0.057,641 -0.078,642 0.065,643 -0.02,644 0.115,645 0.029,646 0.127,647 -0.072,648 -0.066,649 -0.365,650 -0.281,651 -0.134,652 -0.292,653 0.095,654 0.086,655 0.209,656 0.172,657 0.095,658 0.291,659 1.97,660 5.713,661 0.68,662 24.976,663 1.006,664 1.135,665 3.142,666 9.87,667 0.672,668 3.332,669 3.638,670 3.912,671 4.143,672 4.317,673 4.304,674 4.382,675 4.511,676 4.595,677 4.595,678 6.58,679 0.633,680 360.5,681 3.332,682 4.86,683 5.707,684 6.578,685 7.446,686 8.324,687 9.2,688 10.082,689 10.962,690 11.846,691 8.7,696 1,699 1,700 2,709 5,714 5,715 1,716 11,719 1,729 1,737 1,738 46,739 13,740 1,741 27,743 48,744 18,745 10,746 2,747 4,748 2,752 3,753 3,759 2,768 12,769 6,772 2,781 2,782 2,786 1,787 1,789 21,790 5,791 1,792 7,793 1,797 4,803 1,804 1,818 1,822 1,823 2,854 1,855 3,856 1,857 1,859 3,861 1,862 25,869 3,871 1,872 1,873 1,885 1,886 2.2,890 1,893 13.167,894 9.243,895 5.639,896 2.605,898 2.749,899 1.389,900 0.971,901 5.816,902 9.823,903 3.57,904 4.155,905 4.702,906 5.228,907 5.633,908 5.759,909 6.042,910 6.406,911 6.727,912 6.973,913 0.875,914 38,915 9.228,917 3.806,918 7.74,919 17.649,921 14.029,924 2.24,925 56,928 1,929 235.422,930 139.759,931 53.236,933 11,934 14.96,935 32.22,936 107.539,937 246.422,938 68.196,939 28.533,940 7.598,941 47.381,942 31.767,943 50.288,944 21.167,945 267.642,947 235.422,948 160.775,949 25.96,950 32.22,952 250.382,954 11,956 60.473,957 82.291,958 18.011,959 32.22,960 250.382,961 64.236,962 139.759,965 235.422,966 63.844,967 77.814,968 18.011,969 59.286,970 235.422,971 79.196,972 139.759,973 0.573,974 0.341,975 0.183,976 0.1,977 17,978 8,979 0.125,980 6,982 1,983 3.725,984 199.265,986 17,987 116.096,989 1,993 18.025,994 8.066,995 4.075,997 77.297,998 8.672,1003 3.549,1004 2.225,1005 18.011,1006 454.377,1007 34.5,1016 8.578,1017 1.53,1020 46.276,1021 52.199,1022 0.31,1023 0.654,1024 0.835,1025 0.889,1026 0.92,1027 0.92,1028 4.802,1029 1.414,1030 5.687,1031 3.637,1032 4.317,1033 4.84,1034 3.521,1035 6.497,1036 4.182,1037 6.009,1038 1.18,1039 7.249,1040 2.967,1041 3.892,1042 4.663,1043 1.998,1044 7.409,1045 3.703,1046 7.322,1047 1,1048 8.916,1049 2.583,1050 5.905,1051 7.02,1052 6.008,1053 10.521,1054 5.661,1055 8.674,1056 0.463,1057 10.643,1058 2.275,1059 6.33,1060 7.685,1061 4.939,1062 12.283,1063 6.04,1064 10.059,1065 0.216,1066 12.41,1067 0.895,1068 7.804,1069 9.512,1070 8.649,1071 14.909,1072 7.469,1073 11.468,1074 -0.217,1075 14.204,1076 0.498,1077 8.618,1078 10.568,1079 7.909,1080 17.019,1081 8.245,1082 12.895,1083 -0.34,1084 16.017,1085 -0.405,1086 9.881,1087 12.175,1088 11.302,1089 19.483,1090 9.468,1091 3.207,1092 -0.675,1093 17.846,1094 -0.734,1095 10.873,1096 13.421,1097 10.81,1098 21.746,1099 10.425,1100 2.848,1101 11.005,1102 19.686,1103 -1.649,1104 12.054,1105 14.931,1106 13.957,1107 24.156,1108 11.57,1109 2.587,1110 8.763,1111 21.536,1112 4.288,1113 13.128,1114 16.273,1115 13.663,1116 26.487,1117 12.61,1118 2.244,1119 8.221,1120 23.393,1121 3.794,1122 14.281,1123 17.741,1124 16.614,1125 28.882,1126 13.728,1127 1.711,1128 6.696,1129 25.257,1130 3.334,1131 15.393,1132 19.131,1133 16.482,1134 31.246,1135 14.806,1136 1.622,1137 4.873,1138 27.126,1139 2.849,1140 16.539,1141 20.583,1142 19.272,1143 33.638,1144 15.917,1145 1.42,1146 4.175,1147 29,1148 2.195,1149 17.67,1150 21.999,1151 19.278,1152 36.018,1153 17.015,1154 7178,1155 12231,1156 17.8,1157 30.915,1158 40.249,1159 42.863,1160 41.805,1161 39.843,1162 39.827,1163 51.046,1164 12.47,1165 113.175,1166 36.965,1167 5.497,1168 6.531,1169 6.629,1170 5.328,1171 5.207,1172 7.288,1173 7.524,1174 18.308,1175 5.083,1176 12.887,1177 1.491,1178 1.588,1179 1.548,1180 1.476,1181 1.475,1182 1.891,1183 0.462,1184 4.192,1185 1.369,1186 4.05,1187 4.093,1188 4.074,1189 3.934,1190 8.201,1191 3.942,1192 3.91,1193 3.944,1194 3.902,1195 3.821,1196 4.961,1197 3.824,1198 3.634,1199 3.685,1200 3.795,1201 3.525,1202 4.721,1203 3.482,1204 3.465,1205 3.516,1206 3.329,1207 3.241,1208 4.646,1209 3.241,1210 3.201,1211 3.294,1212 3.043,1213 3.038,1214 4.569,1215 3.012,1216 3.114,1217 3.199,1218 2.945,1219 2.907,1220 4.018,1221 2.913,1222 3.046,1223 3.149,1224 2.895,1225 2.811,1226 3.858,1227 2.788,1228 2.899,1229 2.958,1230 2.816,1231 2.733,1232 3.657,1233 2.734,1234 0.169,1235 0.168,1236 0.251,1237 0.154,1238 0.119,1239 4.571,1240 0.159,1241 4.531,1242 0.142,1243 6.77,1244 0.408,1245 4.167,1246 0.114,1247 3.207,1248 4.288,1249 3.83,1250 11.005,1251 3.083,1252 1.881,1253 1.852,1254 1.982,1255 1.994,1256 1.146,1257 1.992,1258 1.744,1259 1.707,1260 1.902,1261 1.939,1262 1.057,1263 1.931,1264 1.693,1265 1.64,1266 1.822,1267 1.834,1268 1.019,1269 1.841,1270 1.41,1271 1.363,1272 1.677,1273 1.643,1274 0.801,1275 1.654,1276 1.349,1277 1.286,1278 1.566,1279 1.574,1280 0.759,1281 1.598,1282 1.073,1283 0.975,1284 1.495,1285 1.354,1286 0.557,1287 1.409,1288 1.049,1289 0.963,1290 1.27,1291 1.299,1292 0.352,1293 1.306,1294 0.863,1295 0.805,1296 1.185,1297 1.069,1298 0.284,1299 1.122,1300 4.007,1302 5.313,1303 2.398,1304 6.817,1305 4.844,1306 8.408,1307 7.002,1308 10.044,1310 5.87,1312 13.713,1315 2.179,1317 2.989,1318 5.175,1319 1.519,1326 29.112,1327 78.787,1328 166.261,1329 212.21,1330 225.819,1331 233.819,1332 233.819,1333 41.499,1334 7.074,1335 50.91,1336 76.21,1337 17,1338 12.38,1339 3.807,1340 3.087,1341 41.999,1342 99,1343 102,1344 0.211,1345 184.263,1346 319.97,1347 441.362,1348 10629,1349 2.2,1350 17.811,1351 0.712,1352 0.614,1353 17.295,1354 15.361,1355 12.097,1356 0.448,1357 0.335,1358 7.991,1359 11.076,1360 7.599,1361 6.344,1362 12.14,1363 9.033,1364 10.58,1365 0.286,1366 0.182,1367 10.64,1368 6.739,1369 9.039,1370 0.184,1371 0.102,1372 9.163,1373 5.001,1374 7.287,1375 0.118,1376 0.057,1377 7.722,1378 3.558,1379 5.75,1380 0.078,1381 0.033,1382 6.269,1383 2.42,1384 0.335,1385 81.048,1386 0.237,1387 24.553,1388 0.566,1389 128,1390 429.975,1391 165.738,1392 408.654,1393 551.47,1394 384,1395 150,1396 386.354,1397 183.67,1398 399.325,1399 579.83,1400 372,1401 6.796}
{0 CHEMBL1579367,1 1.85,2 10.964,3 4.529,4 20.515,5 110.697,6 9.774,7 0.548,8 3.875,9 3.956,10 3.753,11 3.554,12 5.122,13 3.506,14 4.353,15 4.46,16 4.126,17 3.928,18 5.688,19 3.863,20 4.54,21 4.687,22 4.207,23 3.993,24 5.76,25 3.918,26 4.6,27 4.766,28 4.136,29 3.946,30 5.892,31 3.847,32 4.463,33 4.623,34 4.085,35 3.895,36 5.672,37 3.776,38 4.422,39 4.573,40 4.032,41 3.889,42 5.614,43 3.811,44 4.505,45 4.655,46 4.036,47 3.95,48 5.736,49 3.849,50 4.428,51 4.599,52 3.796,53 3.863,54 5.572,55 3.748,56 0.155,57 0.624,58 4.827,59 3.591,60 5.531,61 3.655,62 0.334,63 1.047,64 13.801,65 6.58,66 38.763,67 6.308,68 0.326,69 1.245,70 16.744,71 7.949,72 26.417,73 7.82,74 0.551,75 1.287,76 24.418,77 9.52,78 60.401,79 8.187,80 0.46,81 1.142,82 25.904,83 9.257,84 60.848,85 8.107,86 0.341,87 1.094,88 16.445,89 7.139,90 37.695,91 6.777,92 0.434,93 1.153,94 22.342,95 8.897,96 50.588,97 7.793,98 0.32,99 1.031,100 17.245,101 7.975,102 36.018,103 8.655,104 11,105 43,106 0.317,107 0.649,108 0.784,109 0.865,110 0.865,111 0.865,112 3.375,113 0.989,114 -4.42,115 -4.35,116 -4.1,120 45.2,126 2,143 8,144 1,145 2,146 1,147 1,152 1,153 1,159 1,160 1,167 2,174 6,176 3,177 7,185 7,188 1,189 11,197 4,200 1,201 11,209 3,213 2,214 10,222 2,227 9,235 3,240 8,247 7,251 2,252 4,260 9,263 4,264 2,271 8,274 1372,275 19.068,276 19.068,277 19.068,278 19.068,279 19.068,280 16.417,281 21.734,282 11.294,283 19.694,284 15.3,285 15.3,286 15.3,287 15.3,288 15.3,289 11.326,290 26.492,291 5.369,292 16.318,293 3.542,294 1.6,295 0.81,296 0.333,297 0.333,298 0.333,299 4.072,306 1,307 1,308 668,309 3.162,312 70.54,313 242.217,316 120.649,320 1.472,321 33.03,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 61,333 307,334 4.517,335 4.566,336 6.777,337 4.147,338 3.216,339 4.096,340 3.835,341 11.077,342 2.993,343 4.255,344 3.779,345 6.011,346 3.759,347 2.785,348 3.951,349 2.612,350 8.514,351 2.713,352 3.946,353 3.706,354 5.929,355 3.555,356 2.62,357 3.462,358 1.306,359 8.226,360 2.462,361 3.804,362 3.097,363 5.365,364 3.362,365 2.421,366 3.246,367 0.968,368 6.947,369 2.298,370 3.702,371 2.797,372 5.282,373 3.249,374 2.3,375 3.053,376 0.495,377 6.716,378 2.158,379 3.471,380 2.634,381 5.226,382 2.986,383 2.043,384 2.682,385 0.123,386 6.215,387 1.879,388 2.953,389 2.341,390 4.059,391 2.464,392 1.481,393 2.079,395 3.311,396 1.451,397 2.908,398 1.878,399 3.787,400 2.283,401 1.308,402 2.056,404 3.027,405 1.273,406 2.572,407 1.718,408 3.663,409 2.01,410 1.146,411 1.595,413 2.734,414 1,415 2.5,416 1.416,417 3.517,418 2,419 1,420 1.5,422 2.528,423 0.975,424 2.5,425 1.378,426 3.414,427 1.958,428 1,429 1.5,431 2.275,432 0.955,433 2.338,434 1.031,435 3.255,436 1.863,437 1,438 1.267,440 2.136,441 0.836,442 1.98,443 1,444 3.247,445 1.477,446 0.56,447 0.748,449 1.379,450 0.488,451 1.797,452 1,453 3.077,454 1.293,455 0.353,456 0.47,458 0.902,459 0.328,460 1.057,461 1,462 2.662,463 0.622,464 -0.307,465 -0.394,467 -0.78,468 -0.279,469 13.767,470 0.492,471 0.644,472 0.023,473 40.75,474 1.455,475 22.5,476 0.804,477 18.25,478 0.652,479 21.125,480 0.754,481 28.233,482 0.672,483 28.722,484 1.026,485 7.677,486 0.274,487 5.937,488 0.212,489 0.073,491 0.312,496 0.434,497 1.042,498 0.651,499 0.772,500 0.48,501 0.779,502 0.541,503 1.139,504 1.004,505 1.082,506 0.445,507 0.956,508 0.785,509 1.181,510 0.89,511 1.071,512 0.675,513 1.038,514 1.294,515 1.01,516 1.237,517 1.06,518 1.182,519 0.999,520 1.048,521 0.976,522 1.201,523 1.045,524 0.999,525 0.95,526 0.966,527 1.03,528 0.992,529 0.955,530 0.815,531 0.941,532 1.083,533 0.968,534 1.28,535 1.143,536 1.026,537 1.067,538 0.679,539 0.863,540 0.993,541 1.013,542 0.693,543 1.152,544 5,545 0.166,546 3.111,547 1.5,548 1.769,549 0.868,550 0.488,551 0.435,552 0.268,553 0.137,554 9952,555 35076,556 2.115,557 33.3,559 12,560 1,561 1,567 1.713,568 2,569 3.399,570 -0.671,575 77.709,576 1.85,577 3.792,578 4.583,579 5.059,580 5.059,581 5.059,582 2.843,583 4.209,584 4.776,585 3.583,586 1354.27,587 8.323,588 17943.6,590 1,593 226.477,594 1.333,595 4.748,596 0.161,597 0.008,598 0.072,599 0.035,600 0.047,601 0.024,602 0.013,603 0.012,604 0.008,605 0.005,606 0.386,607 0.17,608 1,609 0.689,610 140.425,611 0.164,612 -0.023,613 0.059,614 0.066,616 0.014,617 0.166,618 -0.094,619 -0.065,620 -0.106,621 0.154,622 -0.084,623 -0.011,624 -0.162,625 0.05,626 -0.118,627 0.001,628 -0.103,629 -0.198,630 0.026,631 -0.087,632 0.022,633 -0.092,634 -0.006,635 -0.093,636 0.045,637 0.01,638 0.095,639 -0.06,640 0.075,641 -0.152,642 -0.015,643 -0.044,644 0.007,645 -0.077,646 0.001,647 -0.19,648 0.025,649 -0.191,650 -0.077,651 -0.135,652 -0.078,653 0.005,654 0.037,655 -0.115,656 -0.084,657 -0.036,658 -0.124,659 2.423,660 5.963,661 0.75,662 26.429,663 1.023,664 1.108,665 3.191,666 10.182,667 0.75,668 3.466,669 3.784,670 4.06,671 4.304,672 4.522,673 4.615,674 4.727,675 4.844,676 4.934,677 4.997,678 6.545,679 0.72,680 410.51,681 3.466,682 5.004,683 5.855,684 6.727,685 7.596,686 8.476,687 9.353,688 10.237,689 11.12,690 12.008,691 9.5,698 1,700 1,701 1,702 1,709 10,710 1,713 1,714 5,716 17,724 1,731 1,738 42,739 21,740 1,741 31,743 45,744 19,745 15,746 2,747 4,748 2,752 4,753 5,768 17,769 2,772 4,775 1,778 3,781 1,782 2,786 1,789 14,790 6,792 9,793 2,797 4,803 0.75,804 3,816 1,822 1,823 3,826 1,855 3,856 1,857 2,862 28,869 2,873 1,875 1,880 1,886 7.1,889 1,892 2,893 14,894 7.717,895 6.139,896 2.339,898 3.467,899 1.457,900 1.004,901 5.51,902 11.05,903 3.795,904 4.385,905 4.923,906 5.442,907 5.873,908 6.08,909 6.346,910 6.623,911 6.978,912 7.265,913 1,914 43,915 10.339,917 4.479,918 7.976,919 19.306,921 15.818,924 2.476,925 69.333,928 1,929 164.795,930 177.221,931 42.365,933 75.892,935 63.497,936 113.724,937 240.687,938 42.365,939 5.67,940 6.13,941 83.459,942 58.406,943 37.289,944 13.823,945 204.75,946 50.747,947 164.795,948 156.089,949 75.892,950 63.497,952 164.795,953 25.145,954 50.747,956 34.719,957 98.914,958 22.456,959 63.497,960 164.795,961 118.257,962 177.221,965 164.795,966 84.715,967 101.301,969 109.463,970 164.795,971 118.257,972 177.221,973 0.581,974 0.34,975 0.178,976 0.095,977 21,978 9,979 0.133,980 6,981 1,982 1.095,983 4.008,984 243.805,985 0.095,986 21,987 128.606,989 2,993 18.789,994 8.212,995 4.161,997 112.587,998 17.365,999 4.311,1002 1.377,1003 3.048,1006 460.274,1007 43.5,1010 -0.423,1013 34.55,1016 4.653,1017 0.511,1020 42.96,1021 46.537,1022 0.343,1023 0.703,1024 0.85,1025 0.938,1026 0.938,1027 0.938,1028 5.019,1029 1.308,1030 5.832,1031 3.311,1032 4.466,1033 5.072,1034 3.832,1035 6.632,1036 4.346,1037 6.225,1038 1.146,1039 7.385,1040 3.027,1041 4.007,1042 4.808,1043 2.854,1044 7.516,1045 3.851,1046 7.528,1047 1,1048 9.039,1049 2.734,1050 6.047,1051 7.232,1052 6.158,1053 10.618,1054 5.815,1055 8.866,1056 1,1057 10.754,1058 2.528,1059 6.431,1060 7.795,1061 5.468,1062 12.346,1063 6.144,1064 10.235,1065 1,1066 12.509,1067 2.275,1068 7.918,1069 9.655,1070 8.717,1071 14.971,1072 7.57,1073 11.625,1074 0.56,1075 14.291,1076 2.136,1077 8.689,1078 10.605,1079 8.181,1080 17.058,1081 8.273,1082 13.032,1083 0.353,1084 16.094,1085 1.379,1086 9.956,1087 12.225,1088 11.336,1089 19.53,1090 9.483,1091 3.216,1092 -0.307,1093 17.911,1094 0.902,1095 10.918,1096 13.373,1097 10.958,1098 21.783,1099 10.37,1100 2.785,1101 11.077,1102 19.742,1103 -0.78,1104 12.099,1105 14.878,1106 13.977,1107 24.206,1108 11.491,1109 2.62,1110 8.514,1111 21.582,1112 4.096,1113 13.155,1114 16.135,1115 13.757,1116 26.537,1117 12.47,1118 2.421,1119 8.226,1120 23.431,1121 3.951,1122 14.308,1123 17.583,1124 16.628,1125 28.944,1126 13.557,1127 2.3,1128 6.947,1129 25.288,1130 3.462,1131 15.412,1132 18.9,1133 16.554,1134 31.312,1135 14.583,1136 2.043,1137 6.716,1138 27.152,1139 3.246,1140 16.558,1141 20.321,1142 19.284,1143 33.715,1144 15.659,1145 1.481,1146 6.215,1147 29.022,1148 3.053,1149 17.687,1150 21.671,1151 19.342,1152 36.102,1153 16.71,1154 9451,1155 17906,1156 20.978,1157 31.489,1158 47.197,1159 50.724,1160 47.54,1161 46.439,1162 46.466,1163 63.409,1164 18.68,1165 131.969,1166 43.618,1167 5.444,1168 6.566,1169 6.579,1170 5.299,1171 5.216,1172 7.096,1173 7.527,1174 18.616,1175 4.993,1176 12.123,1177 1.522,1178 1.636,1179 1.534,1180 1.498,1181 1.499,1182 2.045,1183 0.603,1184 4.257,1185 1.407,1186 4.016,1187 4.04,1188 4.27,1189 3.969,1190 7.815,1191 3.925,1192 3.955,1193 3.979,1194 3.996,1195 3.873,1196 7.428,1197 3.859,1198 3.842,1199 3.874,1200 3.841,1201 3.758,1202 6.999,1203 3.754,1204 3.545,1205 3.565,1206 3.772,1207 3.391,1208 4.897,1209 3.335,1210 3.399,1211 3.441,1212 3.446,1213 3.156,1214 4.782,1215 3.194,1216 3.105,1217 3.137,1218 3.24,1219 2.925,1220 4.679,1221 2.924,1222 2.964,1223 2.992,1224 2.879,1225 2.777,1226 4.232,1227 2.797,1228 2.854,1229 2.925,1230 2.863,1231 2.735,1232 3.855,1233 2.715,1234 0.146,1235 0.147,1236 0.219,1237 0.134,1238 0.104,1239 4.517,1240 0.132,1241 4.566,1242 0.124,1243 6.777,1244 0.357,1245 4.147,1246 0.097,1247 3.216,1248 4.096,1249 3.835,1250 11.077,1251 2.993,1252 1.931,1253 1.906,1254 2.024,1255 2.082,1256 1.17,1257 2.052,1258 1.855,1259 1.817,1260 1.972,1261 2,1262 1.073,1263 1.993,1264 1.67,1265 1.65,1266 1.707,1267 1.824,1268 0.831,1269 1.802,1270 1.389,1271 1.378,1272 1.5,1273 1.684,1274 0.672,1275 1.602,1276 1.323,1277 1.299,1278 1.433,1279 1.48,1280 0.645,1281 1.519,1282 1.162,1283 1.118,1284 1.253,1285 1.274,1286 0.551,1287 1.328,1288 0.958,1289 0.937,1290 1.181,1291 1.21,1292 0.218,1293 1.243,1294 0.886,1295 0.821,1296 1.077,1297 1.062,1298 0.123,1299 1.107,1300 4.143,1302 5.46,1303 2.398,1304 6.971,1305 4.595,1306 8.572,1307 6.605,1308 10.224,1315 0.88,1319 1.425,1321 1.636,1326 30.238,1327 77.709,1328 159.258,1329 192.477,1330 212.477,1331 212.477,1332 212.477,1333 51.351,1334 7.583,1335 93.6,1336 147.14,1337 23,1338 12.54,1339 4.459,1340 3.755,1341 42.308,1342 105,1343 120,1344 0.188,1345 192.678,1346 333.47,1347 461.894,1348 21004,1350 19.51,1351 0.697,1352 0.577,1353 20.217,1354 16.151,1355 13.614,1356 0.439,1357 0.33,1358 8.406,1359 12.173,1360 8.072,1361 6.663,1362 14.522,1363 10.222,1364 12.216,1365 0.284,1366 0.182,1367 13.323,1368 7.813,1369 10.39,1370 0.182,1371 0.106,1372 11.821,1373 6.031,1374 8.501,1375 0.116,1376 0.061,1377 10.05,1378 4.421,1379 6.677,1380 0.073,1381 0.034,1382 8.057,1383 3.053,1384 0.294,1385 94.644,1386 0.218,1387 26.716,1388 0.52,1389 148,1390 505.508,1391 208.646,1392 528.103,1393 706.58,1394 490,1395 174,1396 487.261,1397 230.697,1398 514.476,1399 749.98,1400 481,1401 4.242}
{0 CHEMBL1579505,1 1.476,2 11.839,3 4.486,4 20.124,5 115.492,6 8.269,7 0.529,8 4.013,9 4.097,10 3.662,11 3.639,12 5.245,13 3.631,14 4.515,15 4.634,16 4.048,17 4.021,18 5.772,19 4.004,20 4.755,21 4.881,22 4.217,23 4.17,24 6.086,25 4.157,26 4.878,27 5.029,28 4.205,29 4.138,30 6.244,31 4.135,32 4.856,33 5.004,34 4.144,35 4.028,36 6.453,37 4.022,38 4.756,39 4.937,40 3.86,41 3.861,42 6.139,43 3.824,44 4.595,45 4.795,46 3.701,47 3.691,48 5.817,49 3.665,50 4.365,51 4.517,52 3.693,53 3.576,54 5.873,55 3.582,56 0.063,57 0.608,58 7.701,59 4.536,60 10.64,61 5.066,62 0.303,63 0.995,64 15.249,65 7.681,66 37.846,67 8.93,68 0.388,69 1.269,70 20.015,71 9.521,72 54.949,73 10.801,74 0.475,75 1.427,76 25.426,77 10.433,78 75.632,79 11.274,80 0.863,81 1.323,82 26.262,83 10.544,84 160.896,85 11.634,86 0.738,87 1.202,88 25.975,89 9.812,90 138.49,91 10.947,92 0.528,93 1.044,94 23.073,95 8.282,96 74.565,97 9.33,98 0.462,99 0.832,100 16.111,101 6.205,102 78.246,103 6.695,104 37,105 49,106 0.244,107 0.55,108 0.664,109 0.761,110 0.814,111 0.829,112 3.472,113 0.858,114 -4.83,115 -4.74,116 -4.45,120 50,121 2,126 1,143 10,144 7,145 1,158 2,159 2,174 18,176 1,177 6,180 1,182 2,185 20,188 1,189 12,192 1,194 4,197 18,201 14,206 1,209 13,213 4,214 15,217 1,219 1,222 10,226 2,227 11,232 2,235 6,240 9,245 2,247 4,251 1,252 8,255 1,257 2,260 8,263 1,264 3,267 1,269 2,271 13,274 1583,275 20.673,276 20.673,277 20.673,278 20.673,279 20.673,280 18.009,281 13.526,282 11.948,283 20.743,284 16.702,285 16.702,286 16.702,287 16.702,288 16.702,289 12.509,290 11.651,291 5.584,292 16.747,293 4.168,294 2.321,295 1.63,296 1.045,297 0.725,298 0.63,299 4.163,306 1,307 1,308 795,309 3.742,313 310.415,317 228.069,320 1.671,321 49.418,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 67.5,333 367,334 4.717,335 3.836,336 7.114,337 4.39,338 3.376,339 4.399,340 2.061,341 12.3,342 3.421,343 4.341,344 3.682,345 6.42,346 3.968,347 2.985,348 3.995,349 1.622,350 9.767,351 2.934,352 4.196,353 3.553,354 6.407,355 3.826,356 2.826,357 3.794,358 0.313,359 9.725,360 2.821,361 3.792,362 3.369,363 5.944,364 3.441,365 2.418,366 3.15,368 8.021,369 2.478,370 3.645,371 3.071,372 5.621,373 3.318,374 2.315,375 2.865,377 6.997,378 2.297,379 3.525,380 2.575,381 5.013,382 3.155,383 2.134,384 2.745,386 5.967,387 2.16,388 3.232,389 2.211,390 4.841,391 2.879,392 1.879,393 2.481,395 5.104,396 1.879,397 3.065,398 2.147,399 4.368,400 2.576,401 1.572,402 2.28,404 3.765,405 1.572,406 2.866,407 1.728,408 4.104,409 2.413,410 1.426,411 2.017,413 3.438,414 1.405,415 2.817,416 1.577,417 3.947,418 2.344,419 1.344,420 1.958,422 3.281,423 1.342,424 2.72,425 1.557,426 3.796,427 2.258,428 1.268,429 1.773,431 3.017,432 1.245,433 2.445,434 1.35,435 3.532,436 1.926,437 0.915,438 1.336,440 2.21,441 0.916,442 2.264,443 1.333,444 3.442,445 1.638,446 0.562,447 0.901,449 1.391,450 0.595,451 1.755,452 1.261,453 3.113,454 1.49,455 0.521,456 0.609,458 1.242,459 0.502,460 1.554,461 0.934,462 2.762,463 1.198,464 0.209,465 0.255,467 0.464,468 0.202,469 14.567,470 0.47,471 0.878,472 0.028,473 43.5,474 1.403,475 24.5,476 0.79,477 19,478 0.613,479 23.543,480 0.759,481 31.633,482 0.633,483 37.317,484 1.204,485 8.95,486 0.289,487 5.929,488 0.191,489 0.16,491 0.412,496 0.602,497 0.995,498 0.673,499 0.929,500 0.534,501 0.836,502 0.615,503 0.939,504 0.699,505 0.889,506 0.565,507 0.831,508 0.83,509 1.105,510 0.847,511 1.05,512 0.882,513 0.971,514 1.322,515 1.065,516 1.023,517 1.048,518 1.242,519 0.971,520 1.17,521 1.069,522 1.006,523 1.092,524 1.192,525 1.032,526 1.378,527 0.989,528 1.131,529 0.989,530 1.369,531 1.005,532 1.514,533 0.88,534 1.032,535 0.818,536 1.091,537 0.815,538 1.357,539 1.009,540 0.982,541 0.922,542 1.298,543 0.878,544 5.5,545 0.215,546 4.444,547 3.125,548 2.836,549 1.194,550 0.566,551 0.406,552 0.329,553 0.231,554 12852,555 37105,556 2.046,557 38,558 6,559 12,562 1,567 1.736,568 1.879,569 3.474,570 -0.393,572 1,575 73.776,576 1.476,577 3.323,578 4.014,579 4.599,580 4.919,581 5.014,582 2.895,583 4.478,584 4.93,585 3.679,586 1710.94,587 8.605,588 24282.5,590 1,592 1,593 282.193,594 1.514,595 4.866,596 0.162,597 0.007,598 0.091,599 0.056,600 0.054,601 0.025,602 0.016,603 0.013,604 0.011,605 0.008,606 0.442,607 0.17,608 1,609 0.618,610 160.805,611 -0.027,612 0.017,613 0.028,614 0.024,615 -0.051,616 0.037,617 0.121,618 0.057,619 0.117,620 0.078,621 0.036,622 0.09,623 0.053,624 -0.096,625 0.013,626 -0.096,627 -0.017,628 -0.061,629 -0.166,630 -0.042,631 -0.056,632 -0.102,633 -0.104,634 -0.055,635 0.186,636 -0.107,637 0.022,638 -0.125,639 0.207,640 -0.097,641 -0.044,642 -0.036,643 -0.044,644 -0.005,645 -0.064,646 -0.022,647 -0.209,648 0.098,649 0.083,650 0.165,651 -0.102,652 0.185,653 -0.021,655 0.038,656 0.029,657 0.051,658 0.04,659 2.506,660 5.994,661 0.645,662 28.273,663 1.014,664 1.106,665 3.601,666 12.97,667 0.703,668 3.555,669 3.912,670 4.234,671 4.522,672 4.779,673 4.804,674 4.913,675 5.024,676 5.112,677 5.075,678 7.033,679 0.687,680 413.45,681 3.555,682 5.118,683 5.994,684 6.895,685 7.79,686 8.696,687 9.6,688 10.509,689 11.417,690 12.33,691 2,698 1,709 10,714 8,716 18,721 2,726 1,738 50,739 22,740 3,741 34,743 53,744 25,745 18,746 8,747 10,748 3,752 4,753 7,759 2,768 22,769 3,772 4,778 4,782 4,786 1,789 19,790 6,791 1,792 6,797 1,803 0.5,804 5,823 4,827 2,838 1,855 2,859 2,862 31,869 1,871 1,872 1,886 10,889 4,891 1,893 16.5,894 9.917,895 6.778,896 2.944,898 3.595,899 1.453,900 0.996,901 5.434,902 11.537,903 3.871,904 4.483,905 5.095,906 5.669,907 6.218,908 6.397,909 6.754,910 7.074,911 7.439,912 7.629,913 0.875,914 56,915 11.611,917 5.184,918 8.065,919 21.276,921 17.516,924 2.565,925 79.5,927 1,928 1,929 211.88,930 164.224,931 18.011,933 111.58,936 164.224,937 323.459,938 18.011,939 17.65,940 22.603,941 94.762,942 122.743,943 36.056,945 211.88,947 211.88,948 182.235,949 111.58,952 211.88,953 111.58,956 40.254,957 141.981,960 211.88,961 129.59,962 164.224,965 211.88,966 51.811,967 112.413,968 18.011,969 111.58,970 211.88,971 129.59,972 164.224,973 0.59,974 0.363,975 0.202,976 0.112,977 24,978 12,979 0.094,980 5,981 2,982 1.2,983 4.082,984 287.336,985 0.2,986 20,987 143.58,993 20.554,994 8.195,995 3.751,997 129.59,998 16.548,1003 3.11,1005 18.011,1006 505.694,1007 47,1013 50.805,1017 -2.081,1020 50.691,1021 55.282,1022 0.261,1023 0.589,1024 0.711,1025 0.815,1026 0.871,1027 0.888,1028 5.121,1029 1.572,1030 6.004,1031 5.104,1032 4.595,1033 5.17,1034 2.626,1035 6.876,1036 4.595,1037 6.352,1038 1.426,1039 7.607,1040 3.765,1041 4.29,1042 5.056,1043 1.593,1044 7.919,1045 4.318,1046 7.68,1047 1.344,1048 9.316,1049 3.438,1050 6.244,1051 7.382,1052 3.709,1053 11.079,1054 6.247,1055 9.044,1056 1.268,1057 11.085,1058 3.281,1059 6.758,1060 8.075,1061 3.201,1062 12.953,1063 6.79,1064 10.441,1065 0.915,1066 12.893,1067 3.017,1068 8.208,1069 9.896,1070 4.928,1071 15.657,1072 8.223,1073 11.862,1074 0.562,1075 14.728,1076 2.21,1077 9.091,1078 10.969,1079 4.75,1080 17.874,1081 9.131,1082 13.302,1083 0.521,1084 16.583,1085 1.391,1086 10.358,1087 12.585,1088 6.216,1089 20.43,1090 10.394,1091 3.376,1092 0.209,1093 18.452,1094 1.242,1095 11.41,1096 13.845,1097 6.268,1098 22.799,1099 11.466,1100 2.985,1101 12.3,1102 20.333,1103 0.464,1104 12.615,1105 15.371,1106 7.549,1107 25.309,1108 12.676,1109 2.826,1110 9.767,1111 22.224,1112 4.399,1113 13.742,1114 16.726,1115 7.767,1116 27.747,1117 13.821,1118 2.418,1119 9.725,1120 24.123,1121 3.995,1122 14.93,1123 18.212,1124 8.913,1125 30.245,1126 15.021,1127 2.315,1128 8.021,1129 26.028,1130 3.794,1131 16.093,1132 19.616,1133 9.254,1134 32.717,1135 16.201,1136 2.134,1137 6.997,1138 27.939,1139 3.15,1140 17.281,1141 21.086,1142 10.299,1143 35.215,1144 17.403,1145 1.879,1146 5.967,1147 29.855,1148 2.865,1149 18.463,1150 22.517,1151 10.732,1152 37.703,1153 18.602,1154 12260,1155 21018,1156 22.194,1157 35.131,1158 52.4,1159 55.892,1160 54.614,1161 51.462,1162 51.501,1163 69.118,1164 7.992,1165 153.38,1166 51.539,1167 5.644,1168 5.836,1169 6.793,1170 5.459,1171 5.376,1172 7.399,1173 3.862,1174 20.3,1175 5.421,1176 17.601,1177 1.541,1178 1.644,1179 1.606,1180 1.514,1181 1.515,1182 2.033,1183 0.235,1184 4.511,1185 1.516,1186 4.087,1187 4.093,1188 4.06,1189 4.029,1190 7.442,1191 4.034,1192 3.956,1193 3.986,1194 3.898,1195 3.888,1196 7.43,1197 3.886,1198 3.789,1199 3.809,1200 3.734,1201 3.728,1202 7.425,1203 3.724,1204 3.565,1205 3.585,1206 3.496,1207 3.318,1208 7.419,1209 3.359,1210 3.281,1211 3.35,1212 3.249,1213 3.125,1214 4.756,1215 3.131,1216 3.266,1217 3.279,1218 3.149,1219 3.107,1220 4.712,1221 3.101,1222 3.211,1223 3.225,1224 3.067,1225 3.061,1226 4.596,1227 3.079,1228 3.095,1229 3.145,1230 3.043,1231 2.909,1232 4.349,1233 2.909,1234 0.139,1235 0.113,1236 0.209,1237 0.129,1238 0.099,1239 4.717,1240 0.129,1241 3.836,1242 0.061,1243 7.114,1244 0.362,1245 4.39,1246 0.101,1247 3.376,1248 4.399,1249 2.061,1250 12.3,1251 3.421,1252 2.04,1253 2.033,1254 2.098,1255 2.109,1256 1.24,1257 2.103,1258 1.939,1259 1.912,1260 2.057,1261 2.034,1262 1.191,1263 2.041,1264 1.786,1265 1.764,1266 1.899,1267 1.872,1268 0.993,1269 1.879,1270 1.444,1271 1.42,1272 1.639,1273 1.714,1274 0.745,1275 1.684,1276 1.303,1277 1.226,1278 1.621,1279 1.507,1280 0.719,1281 1.557,1282 1.185,1283 1.172,1284 1.449,1285 1.39,1286 0.492,1287 1.367,1288 1.143,1289 1.129,1290 1.315,1291 1.332,1292 0.368,1293 1.34,1294 1.087,1295 1.011,1296 1.252,1297 1.308,1298 0.297,1299 1.308,1300 4.234,1302 5.58,1304 7.136,1306 8.797,1308 10.517,1310 3.733,1315 -0.519,1317 2.739,1318 5.165,1326 34.337,1327 73.776,1328 166.145,1329 200.709,1330 229.928,1331 245.928,1332 250.683,1333 82.154,1334 7.942,1335 89.54,1336 89.54,1337 24,1338 12.844,1339 4.524,1340 3.807,1341 49.546,1342 131,1343 121,1344 0.183,1345 209.725,1346 379.55,1347 503.488,1348 34068,1350 22.121,1351 0.714,1352 0.549,1353 22.121,1354 17.022,1355 14.88,1356 0.438,1357 0.286,1358 9.622,1359 14.43,1360 9.323,1361 7.744,1362 14.88,1363 9.728,1364 13.611,1365 0.278,1366 0.149,1367 13.611,1368 7.323,1369 11.873,1370 0.175,1371 0.077,1372 11.873,1373 5.252,1374 10.005,1375 0.11,1376 0.041,1377 10.005,1378 3.711,1379 8.422,1380 0.071,1381 0.021,1382 8.422,1383 2.47,1384 0.288,1385 92.905,1386 0.212,1387 29.022,1388 0.498,1389 166,1390 545.011,1391 180.343,1392 521.532,1393 698.26,1394 484,1395 200,1396 497.254,1397 214.291,1398 505.727,1399 746.07,1400 475,1401 4.512}
{0 CHEMBL1579521,1 1.849,2 9.6,3 5.568,4 31.007,5 101.182,6 10.235,7 0.714,8 3.771,9 3.836,10 3.699,11 3.516,12 4.93,13 3.448,14 4.271,15 4.373,16 4.186,17 3.907,18 5.427,19 3.815,20 4.424,21 4.563,22 4.169,23 3.882,24 5.64,25 3.806,26 4.321,27 4.446,28 4.08,29 3.849,30 5.498,31 3.747,32 4.293,33 4.414,34 3.984,35 3.817,36 5.508,37 3.698,38 4.322,39 4.449,40 3.958,41 3.811,42 5.48,43 3.675,44 4.289,45 4.448,46 3.733,47 3.68,48 5.425,49 3.579,50 4.309,51 4.514,52 3.742,53 3.648,54 5.414,55 3.519,56 0.054,57 0.472,58 3.61,59 3.131,60 5.327,61 3.4,62 0.165,63 0.846,64 15.363,65 6.514,66 13.984,67 6.535,68 0.415,69 1.01,70 20.081,71 8.015,72 33.453,73 7.305,74 0.296,75 0.952,76 17.2,77 6.898,78 27.104,79 5.506,80 0.34,81 0.861,82 14.61,83 6.914,84 37.856,85 6.448,86 0.363,87 0.921,88 23.698,89 7.85,90 28.895,91 6.875,92 0.282,93 0.848,94 14.078,95 6.703,96 27.219,97 6.907,98 0.293,99 0.853,100 17.475,101 7.435,102 33.482,103 8.608,104 11,105 40,106 0.324,107 0.668,108 0.799,109 0.871,110 0.88,111 0.88,112 3.268,113 1.064,114 -4.31,115 -4.25,116 -4.01,120 47.4,121 1,122 1,126 1,143 6,144 1,147 1,148 1,150 1,153 3,154 1,158 1,174 6,176 1,177 6,185 8,188 2,189 9,197 3,201 6,209 5,213 1,214 5,222 6,226 1,227 5,235 6,239 1,240 5,247 3,252 7,260 5,264 4,271 8,274 923,275 17.11,276 17.11,277 17.11,278 17.11,279 17.11,280 14.717,281 9.726,282 9.963,283 17.73,284 13.775,285 13.775,286 13.775,287 13.775,288 13.775,289 9.99,290 5.829,291 4.679,292 14.895,293 3.399,294 1.439,295 0.691,296 0.283,297 0.23,298 0.23,299 3.965,304 1,306 1,307 1,308 529,309 3.162,312 101.002,313 109.646,316 155.333,320 1.328,321 25.579,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 53.333,333 240,334 4.759,335 4.482,336 6.872,337 4.253,338 3.277,339 4.856,340 3.325,341 11.524,342 3.203,343 4.235,344 3.617,345 6.075,346 3.796,347 2.865,348 3.841,349 1.133,350 8.775,351 2.688,352 4.048,353 3.185,354 6.001,355 3.563,356 2.621,357 3.718,359 8.515,360 2.468,361 3.595,362 2.928,363 5.294,364 3.168,365 2.251,366 2.98,368 6.672,369 2.088,370 3.532,371 2.686,372 5.148,373 3.044,374 2.153,375 2.825,377 5.942,378 1.833,379 3.349,380 2.493,381 4.99,382 2.847,383 1.891,384 2.728,386 5.803,387 1.786,388 2.99,389 2,390 4.461,391 2.506,392 1.541,393 2.212,395 4.2,396 1.48,397 2.721,398 1.822,399 3.985,400 2.24,401 1.316,402 1.803,404 3.246,405 1.187,406 2.619,407 1.633,408 3.606,409 2.093,410 1.155,411 1.62,413 2.849,414 1.013,415 2.191,416 1.316,417 3.48,418 1.726,419 0.772,420 1.065,422 1.884,423 0.725,424 2.145,425 0.86,426 3.268,427 1.578,428 0.684,429 0.974,431 1.649,432 0.591,433 1.711,434 0.753,435 2.978,436 1.371,437 0.445,438 0.524,440 0.853,441 0.398,442 1.528,443 0.593,444 2.786,445 1.158,446 0.221,447 0.287,449 0.426,450 0.203,451 0.971,452 0.182,453 2.633,454 0.503,455 -0.432,456 -0.577,458 -1.096,459 -0.375,460 0.811,461 0.079,462 2.306,463 0.311,464 -0.658,465 -0.89,467 -1.746,468 -0.43,469 12.848,470 0.514,471 0.606,472 0.024,473 34,474 1.36,475 18,476 0.72,477 16,478 0.64,479 21.18,480 0.847,481 24.952,482 0.657,483 21.586,484 0.863,485 6.138,486 0.246,487 6.014,488 0.241,489 0.12,491 0.35,496 0.665,497 0.984,498 0.602,499 0.75,500 0.567,501 0.739,502 0.729,503 1.102,504 0.715,505 0.947,506 0.629,507 0.827,508 1.09,509 0.995,510 0.861,511 0.939,512 1.131,513 0.797,514 1.351,515 1.004,516 0.936,517 0.896,518 1.197,519 0.906,520 0.996,521 1.066,522 0.995,523 1.055,524 0.867,525 1.047,526 1.044,527 1.21,528 1.28,529 1.316,530 0.856,531 1.222,532 0.972,533 1.064,534 0.771,535 0.993,536 0.964,537 1.103,538 0.833,539 0.858,540 0.6,541 0.762,542 1.039,543 0.885,544 5,545 0.116,546 2.889,547 1.986,548 1.432,549 0.796,550 0.392,551 0.394,552 0.272,553 0.155,554 7155,555 23832,556 2.13,557 34.2,558 3,559 8,563 2,567 1.683,568 2,569 3.251,570 -0.711,575 70.257,576 1.849,577 3.809,578 4.557,579 4.965,580 5.018,581 5.018,582 2.634,583 4.324,584 4.616,585 3.389,586 1016.63,587 7.995,588 12184.8,593 199.421,594 1.388,595 4.579,596 0.179,597 0.008,598 0.072,599 0.051,600 0.041,601 0.025,602 0.013,603 0.015,604 0.011,605 0.007,606 0.422,607 0.17,608 1,609 0.739,610 119.598,611 -0.031,612 -0.062,613 0.031,614 0.027,615 -0.049,616 0.022,617 0.063,618 -0.113,619 0.142,620 -0.003,621 0.016,622 0.042,623 0.057,624 0.055,625 0.069,626 0.032,627 -0.022,628 0.122,629 -0.277,630 0.098,631 -0.062,632 0.057,633 -0.191,634 -0.055,635 0.012,636 -0.064,637 -0.094,638 -0.07,639 0.119,640 -0.14,641 -0.045,642 -0.167,643 -0.24,644 -0.258,645 0.006,646 -0.289,647 -0.011,648 -0.113,649 -0.048,650 -0.124,651 0.003,652 -0.156,653 0.083,654 0.051,655 0.228,656 0.158,657 0.064,658 0.195,659 1.636,660 5.351,661 0.72,662 20.877,663 1.017,664 1.097,665 3.08,666 9.484,667 0.78,668 3.367,669 3.714,670 4.025,671 4.331,672 4.564,673 4.682,674 4.82,675 4.97,676 4.984,677 5.017,678 5.813,679 0.732,680 388.92,681 3.367,682 4.92,683 5.79,684 6.686,685 7.578,686 8.482,687 9.383,688 10.29,689 11.197,690 12.107,691 5.3,701 2,708 4,709 6,710 2,712 1,713 1,714 4,716 20,721 1,737 1,738 38,739 21,740 1,741 28,743 41,744 18,745 14,746 2,747 4,748 1,752 4,753 7,754 1,759 1,766 1,768 15,769 3,772 1,778 1,782 1,788 1,789 13,790 4,792 7,793 3,797 2,803 0.5,804 2,817 1,822 2,823 2,826 2,855 2,856 1,857 2,859 1,860 1,862 25,869 2,873 1,880 1,885 1,886 5.3,889 1,891 1,893 12.5,894 7.46,895 5.472,896 2.409,898 3.938,899 1.523,900 1.027,901 4.698,902 11.467,903 3.689,904 4.376,905 5.065,906 5.75,907 6.325,908 6.765,909 7.239,910 7.726,911 7.953,912 8.248,913 1,914 39,915 9.242,917 4.006,918 7.751,919 17.592,921 14.644,924 2.251,925 56.278,929 153.024,930 158.619,931 33.571,932 39.149,933 34.652,935 63.497,936 95.122,937 226.825,938 33.571,939 8.825,940 3.434,941 56.857,942 63.849,943 18.226,944 51.301,945 216.522,947 153.024,948 128.693,949 34.652,950 102.646,952 155.352,953 34.652,956 16.077,957 76.717,958 33.571,959 102.646,960 153.024,961 68.223,962 197.767,965 153.024,966 92.936,967 65.683,969 107.372,970 153.024,971 68.223,972 197.767,973 0.584,974 0.349,975 0.194,976 0.109,977 21,978 9,979 0.122,980 5,981 2,982 1.222,983 3.713,984 214.558,985 0.222,986 18,987 116.096,989 2,993 16.861,994 6.966,995 3.274,996 3.183,997 68.223,998 11.278,999 9.181,1001 5.95,1002 1.292,1003 2.716,1006 419.015,1007 39,1013 12.351,1017 0.03,1020 38.636,1021 41.691,1022 0.352,1023 0.726,1024 0.868,1025 0.946,1026 0.956,1027 0.956,1028 4.92,1029 1.316,1030 5.784,1031 4.2,1032 4.394,1033 5.063,1034 3.246,1035 6.624,1036 4.266,1037 6.16,1038 1.155,1039 7.358,1040 3.246,1041 4.007,1042 4.997,1044 7.564,1045 3.831,1046 7.493,1047 0.772,1048 9.031,1049 2.849,1050 6.014,1051 7.408,1052 5.517,1053 10.693,1054 5.801,1055 8.867,1056 0.684,1057 10.763,1058 1.884,1059 6.463,1060 8.217,1062 12.489,1063 6.226,1064 10.275,1065 0.445,1066 12.533,1067 1.649,1068 7.933,1069 10.089,1070 7.904,1071 15.141,1072 7.664,1073 11.708,1074 0.221,1075 14.33,1076 0.853,1077 8.766,1078 11.309,1080 17.303,1081 8.485,1082 13.16,1083 -0.432,1084 16.148,1085 0.426,1086 10.033,1087 12.98,1088 10.305,1089 19.802,1090 9.727,1091 3.277,1092 -0.658,1093 17.982,1094 -1.096,1095 11.046,1096 14.395,1098 22.123,1099 10.729,1100 2.865,1101 11.524,1102 19.829,1103 -1.746,1104 12.239,1105 15.993,1106 12.708,1107 24.575,1108 11.902,1109 2.621,1110 8.775,1111 21.687,1112 4.856,1113 13.336,1114 17.497,1116 26.964,1117 12.986,1118 2.251,1119 8.515,1120 23.554,1121 3.841,1122 14.506,1123 19.073,1124 15.111,1125 29.404,1126 14.139,1127 2.153,1128 6.672,1129 25.429,1130 3.718,1131 15.642,1132 20.616,1134 31.822,1135 15.26,1136 1.891,1137 5.942,1138 27.311,1139 2.98,1140 16.808,1141 22.189,1142 17.514,1143 34.261,1144 16.41,1145 1.541,1146 5.803,1147 29.199,1148 2.825,1149 17.963,1150 23.75,1152 36.692,1153 17.55,1154 6779,1155 12557,1156 18.898,1157 29.642,1158 42.636,1159 46.318,1160 43.745,1161 42.543,1162 42.383,1163 58.869,1164 8.917,1165 124.676,1166 39.324,1167 5.639,1168 6.482,1169 6.553,1170 5.405,1171 5.277,1172 7.856,1173 6.65,1174 18.896,1175 5.203,1176 11.074,1177 1.523,1178 1.654,1179 1.562,1180 1.519,1181 1.514,1182 2.102,1183 0.318,1184 4.453,1185 1.404,1186 4.179,1187 4.187,1188 4.34,1189 4.077,1190 7.427,1191 4.09,1192 3.887,1193 3.879,1194 4.199,1195 3.935,1196 5.234,1197 3.852,1198 3.696,1199 3.743,1200 3.823,1201 3.606,1202 4.891,1203 3.59,1204 3.434,1205 3.483,1206 3.531,1207 3.349,1208 4.692,1209 3.298,1210 3.341,1211 3.366,1212 3.316,1213 3.217,1214 4.358,1215 3.202,1216 2.981,1217 3.027,1218 3.211,1219 2.815,1220 4.164,1221 2.806,1222 2.915,1223 2.96,1224 2.894,1225 2.784,1226 3.97,1227 2.789,1228 2.696,1229 2.737,1230 2.862,1231 2.557,1232 3.923,1233 2.526,1234 0.17,1235 0.16,1236 0.245,1237 0.152,1238 0.117,1239 4.759,1240 0.173,1241 4.482,1242 0.119,1243 6.872,1244 0.412,1245 4.253,1246 0.114,1247 3.277,1248 4.856,1249 3.325,1250 11.524,1251 3.203,1252 1.946,1253 1.925,1254 2.026,1255 2.029,1256 1.161,1257 2.029,1258 1.775,1259 1.757,1260 1.888,1261 1.94,1262 1.039,1263 1.923,1264 1.598,1265 1.588,1266 1.697,1267 1.713,1268 0.934,1269 1.729,1270 1.44,1271 1.401,1272 1.622,1273 1.625,1274 0.728,1275 1.641,1276 1.388,1277 1.374,1278 1.456,1279 1.46,1280 0.626,1281 1.5,1282 1.058,1283 1.051,1284 1.151,1285 1.188,1286 0.422,1287 1.174,1288 0.952,1289 0.93,1290 1.089,1291 1.079,1292 0.214,1293 1.16,1294 0.865,1295 0.806,1296 1.008,1297 1.02,1298 0.182,1299 1.066,1300 4.043,1302 5.38,1303 3.045,1304 6.907,1305 5.416,1306 8.524,1307 7.535,1308 10.193,1310 2.011,1311 5.908,1315 1.001,1319 1.376,1326 27.835,1327 70.257,1328 144.75,1329 173.157,1330 188.666,1331 190.666,1332 190.666,1333 39.529,1334 7.529,1335 55.99,1336 109.53,1337 22,1338 12.623,1339 4.459,1340 3.585,1341 35.851,1342 85,1343 93,1344 0.203,1345 179.688,1346 294.97,1347 430.199,1348 18703,1349 2.6,1350 17.389,1351 0.696,1352 0.627,1353 18.596,1354 15.673,1355 12.152,1356 0.434,1357 0.355,1358 7.865,1359 10.726,1360 7.473,1361 6.152,1362 13.303,1363 9.929,1364 11.01,1365 0.275,1366 0.202,1367 12.8,1368 8.069,1369 9.6,1370 0.175,1371 0.109,1372 11.41,1373 5.968,1374 8.056,1375 0.107,1376 0.06,1377 9.841,1378 4.47,1379 6.654,1380 0.07,1381 0.033,1382 8.36,1383 3.135,1384 0.314,1385 86.923,1386 0.23,1387 24.045,1388 0.571,1389 136,1390 424.685,1391 216.975,1392 480.241,1393 651.54,1394 450,1395 163,1396 432.206,1397 226.093,1398 472.355,1399 704.3,1400 446,1401 4.361}
{0 CHEMBL1579901,1 1.795,2 8.909,3 3.044,4 9.267,5 84.753,6 9.584,7 0.458,8 3.683,9 3.735,10 3.671,11 3.396,12 4.834,13 3.318,14 4.206,15 4.298,16 4.018,17 3.784,18 5.6,19 3.689,20 4.425,21 4.554,22 4.053,23 3.81,24 5.729,25 3.734,26 4.414,27 4.541,28 3.849,29 3.603,30 5.817,31 3.583,32 4.285,33 4.453,34 3.476,35 3.269,36 5.635,37 3.246,38 3.875,39 4.046,40 3.32,41 3.15,42 5.259,43 3.111,44 3.76,45 3.845,46 3.501,47 3.319,48 5.052,49 3.255,50 3.969,51 4.094,52 3.505,53 3.486,54 5.453,55 3.355,56 0.131,57 0.471,58 6.447,59 3.904,60 18.913,61 3.626,62 0.353,63 0.792,64 16.745,65 7.317,66 58.977,67 6.776,68 0.419,69 0.988,70 19.884,71 8.418,72 59.707,73 7.714,74 0.487,75 0.951,76 19.375,77 7.455,78 53.754,79 6.291,80 0.717,81 0.794,82 20.02,83 6.553,84 88.207,85 5.142,86 0.474,87 0.543,88 10.849,89 4.046,90 54.487,91 3.99,92 0.182,93 0.477,94 7.223,95 3.955,96 31.224,97 3.627,98 0.305,99 0.587,100 8.125,101 5.084,102 67.689,103 5.722,104 17,105 35,106 0.324,107 0.664,108 0.8,109 0.86,110 0.871,111 0.871,112 3.147,113 1.146,114 -4.18,115 -4.13,116 -3.9,120 42.9,121 1,122 1,126 1,143 5,144 3,152 1,154 1,158 1,159 1,167 1,174 8,176 2,177 4,185 11,188 1,189 14,197 6,201 12,209 2,213 2,214 8,222 2,226 2,227 2,235 5,240 1,247 9,251 2,252 2,260 7,264 4,271 4,274 570,275 14.507,276 14.507,277 14.507,278 14.507,279 14.507,280 12.506,281 11.268,282 8.349,283 15.079,284 11.799,285 11.799,286 11.799,287 11.799,288 11.799,289 8.7,290 9.714,291 3.891,292 12.686,293 3.335,294 1.451,295 0.696,296 0.364,297 0.307,298 0.307,299 3.821,305 1,306 1,307 1,308 420,309 3.24,312 45.3,313 131.227,316 86.653,320 1.207,321 34.589,323 1,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 48.5,333 196,334 4.912,335 5.259,336 7.431,337 4.338,338 3.474,339 4.765,340 2.95,341 13.021,342 3.017,343 4.314,344 4.153,345 6.387,346 3.951,347 2.954,348 3.919,349 2.654,350 9.625,351 2.935,352 4.106,353 3.416,354 6.181,355 3.61,356 2.66,357 3.651,358 1.123,359 9.027,360 2.474,361 3.502,362 2.962,363 5.103,364 3.042,365 2.08,366 2.8,368 5.768,369 1.999,370 3.333,371 2.679,372 4.883,373 2.847,374 1.912,375 2.561,377 5.226,378 1.761,379 2.861,380 2.554,381 3.957,382 2.414,383 1.414,384 2.016,386 3.127,387 1.414,388 2.587,389 1.572,390 3.781,391 2.144,392 1.169,393 1.591,395 2.827,396 1.132,397 2.413,398 1.511,399 3.576,400 1.902,401 1,402 1.363,404 2.295,405 0.881,406 2.337,407 1.309,408 3.497,409 1.706,410 0.823,411 1.21,413 2.256,414 0.701,415 1.958,416 0.948,417 3.234,418 1.624,419 0.632,420 0.791,422 1.474,423 0.621,424 1.272,425 0.598,426 2.845,427 0.967,433 1.092,434 0.344,435 2.588,436 0.734,437 -0.29,438 -0.37,440 -0.624,441 -0.294,442 1,443 0.152,444 2.268,445 0.165,446 -0.848,447 -1.102,449 -2.015,450 -0.82,451 0.633,452 -0.035,453 2.168,455 -1,456 -1.188,458 -2.622,459 -0.842,460 0.488,461 -0.252,462 2,463 -0.067,464 -1,465 -1.45,467 -2.879,468 -0.923,469 10.9,470 0.495,471 0.684,472 0.031,473 29.5,474 1.341,475 16,476 0.727,477 13.5,478 0.614,479 16.49,480 0.75,481 23.3,482 0.666,483 20.437,484 0.929,485 5.548,486 0.252,487 4.94,488 0.225,489 0.138,490 0.076,491 0.275,496 0.434,497 0.954,498 0.767,499 1.009,500 0.585,501 0.839,502 0.537,503 1.02,504 0.849,505 0.962,506 0.539,507 0.896,508 0.977,509 1.149,510 0.972,511 1.092,512 1.007,513 0.994,514 1.531,515 1.346,516 1.064,517 1.159,518 1.252,519 1.117,520 1.878,521 0.887,522 1.009,523 0.804,524 1.476,525 0.934,526 1.076,527 0.449,528 0.613,529 0.372,530 1.048,531 0.527,532 0.873,533 0.914,534 0.764,535 0.946,536 1.215,537 0.963,538 0.326,539 0.949,540 0.764,541 0.9,542 0.401,543 1.173,544 5,545 0.054,546 3.778,547 1.868,548 1.308,549 0.49,550 0.371,551 0.34,552 0.214,553 0.197,554 4897,555 17012,556 2.032,557 37.1,558 3,559 7,560 1,563 2,567 1.643,568 1.872,569 3.133,570 -0.672,572 1,574 1,575 62.816,576 1.795,577 3.679,578 4.433,579 4.765,580 4.822,581 4.822,582 2.465,583 4.187,584 4.438,585 3.277,586 757.03,587 7.609,588 8362.15,589 1,590 1,591 1,592 1,593 179.525,594 1.661,595 4.366,596 0.208,597 0.006,598 0.108,599 0.053,600 0.044,601 0.026,602 0.02,603 0.016,604 0.01,605 0.012,606 0.503,607 0.5,608 1,609 0.65,610 100.957,611 0.163,612 0.064,613 0.164,614 0.017,615 -0.08,616 0.047,617 0.218,618 -0.029,619 0.106,620 0.048,621 0.203,622 0.032,623 -0.038,624 -0.138,625 0.008,626 -0.11,627 -0.069,628 -0.058,629 -0.266,630 -0.358,631 -0.187,632 -0.277,633 -0.14,634 -0.244,635 -0.323,636 0.084,637 -0.137,638 0.036,639 -0.246,640 -0.034,641 0.088,642 0.548,643 0.137,644 0.41,645 -0.002,646 0.384,647 -0.073,648 0.021,649 0.005,650 -0.062,651 -0.191,652 -0.083,653 0.302,654 -0.059,655 -0.019,656 -0.042,657 0.373,658 -0.22,659 4.149,660 5.041,661 0.682,662 14.554,663 1.025,664 1.105,665 2.953,666 8.723,667 0.734,668 3.219,669 3.584,670 3.85,671 4.078,672 4.205,673 4.19,674 4.174,675 4.304,676 4.234,677 4.22,678 5.477,679 0.698,680 335.43,681 3.219,682 4.779,683 5.638,684 6.535,685 7.412,686 8.31,687 9.192,688 10.092,689 10.978,690 11.879,691 2.9,700 1,709 6,713 1,714 4,716 11,720 1,738 35,739 15,740 1,741 24,743 37,744 15,745 10,746 2,747 4,748 2,752 3,753 4,759 1,763 1,766 1,768 12,769 3,772 4,776 1,778 3,781 1,782 2,785 1,786 1,789 13,790 5,792 7,793 2,797 1,803 0.667,804 4,822 1,823 2,826 1,855 2,857 2,859 1,862 22,865 1,869 2,872 1,880 1,886 11.4,889 3,891 1,893 11.75,894 6.7,895 4.736,896 2.014,898 2.658,899 1.392,900 0.994,901 4.045,902 9.435,903 3.541,904 4.186,905 4.702,906 5.219,907 5.571,908 5.729,909 5.839,910 6.215,911 6.389,912 6.583,913 0.833,914 35,915 8.336,917 3.845,918 8.102,919 15.259,921 12.898,924 2.602,925 57.25,929 153.024,930 124.118,931 19.4,933 80.677,935 37.324,936 86.795,937 233.701,938 19.4,939 8.825,940 3.434,941 61.076,942 79.406,943 40.175,944 11.771,945 172.531,947 153.024,948 106.194,949 80.677,950 37.324,952 153.024,953 80.677,956 31.659,957 74.535,958 6.046,959 31.278,960 153.024,961 100.077,962 124.118,964 6.046,965 153.024,966 54.217,967 63.856,969 100.077,970 153.024,971 100.077,972 124.118,973 0.596,974 0.355,975 0.184,976 0.089,977 18,978 8,979 0.081,980 3,981 1,982 1.133,983 3.372,984 172.662,985 0.133,986 15,987 94.107,989 1,992 1,993 15.229,994 5.843,995 2.961,997 100.077,998 10.457,1002 1.16,1003 2.078,1006 377.219,1007 33.5,1011 -3.232,1013 35.904,1016 3.889,1017 -0.052,1020 35.865,1021 38.667,1022 0.35,1023 0.717,1024 0.864,1025 0.929,1026 0.94,1027 0.94,1028 4.794,1029 1,1030 5.68,1031 2.827,1032 4.263,1033 4.871,1034 3.556,1035 6.572,1036 4.128,1037 6.057,1038 0.823,1039 7.305,1040 2.295,1041 4.111,1042 5.017,1044 7.881,1045 3.858,1046 7.429,1047 0.632,1048 9.048,1049 2.256,1050 5.989,1051 7.216,1052 5.541,1053 10.933,1054 5.69,1055 8.847,1057 10.864,1058 1.474,1059 6.661,1060 8.193,1062 13.044,1063 6.213,1064 10.302,1065 -0.29,1066 12.725,1068 8.076,1069 9.928,1070 7.612,1071 15.72,1072 7.57,1073 11.782,1074 -0.848,1075 14.618,1076 -0.624,1077 9.075,1078 11.235,1080 18.108,1081 8.417,1082 13.282,1083 -1,1084 16.533,1085 -2.015,1086 10.347,1087 12.829,1088 9.705,1089 20.691,1090 9.605,1091 3.474,1092 -1,1093 18.464,1094 -2.622,1095 11.478,1096 14.272,1098 23.183,1099 10.589,1100 2.954,1101 13.021,1102 20.408,1103 -2.879,1104 12.709,1105 15.825,1106 11.81,1107 25.746,1108 11.713,1109 2.66,1110 9.625,1111 22.361,1112 4.765,1113 13.896,1114 17.326,1116 28.28,1117 12.756,1118 2.08,1119 9.027,1120 24.323,1121 3.919,1122 15.12,1123 18.871,1124 13.923,1125 30.84,1126 13.857,1127 1.912,1128 5.768,1129 26.291,1130 3.651,1131 16.331,1132 20.4,1134 33.391,1135 14.925,1136 1.414,1137 5.226,1138 28.264,1139 2.8,1140 17.558,1141 21.946,1142 16.044,1143 35.953,1144 16.019,1145 1.169,1146 3.127,1147 30.243,1148 2.561,1149 18.782,1150 23.488,1152 38.512,1153 17.099,1154 4787,1155 9105,1156 15.603,1157 25.688,1158 36.733,1159 40.544,1160 37.723,1161 36.284,1162 36.236,1163 49.333,1164 13.456,1165 109.289,1166 33.87,1167 5.857,1168 7.259,1169 7.116,1170 5.509,1171 5.474,1172 7.765,1173 5.9,1174 20.976,1175 5.017,1176 11.379,1177 1.531,1178 1.689,1179 1.572,1180 1.512,1181 1.51,1182 2.056,1183 0.561,1184 4.554,1185 1.411,1186 4.128,1187 4.093,1188 4.799,1189 4.184,1190 7.714,1191 4.058,1192 3.936,1193 3.955,1194 4.013,1195 3.876,1196 7.433,1197 3.871,1198 3.557,1199 3.54,1200 3.885,1201 3.557,1202 6.999,1203 3.446,1204 3.413,1205 3.422,1206 3.461,1207 3.233,1208 4.881,1209 3.222,1210 3.193,1211 3.257,1212 3.16,1213 3.038,1214 4.702,1215 3.032,1216 3.161,1217 3.182,1218 2.958,1219 2.97,1220 4.493,1221 2.973,1222 2.746,1223 2.812,1224 2.656,1225 2.534,1226 3.897,1227 2.531,1228 2.629,1229 2.698,1230 2.547,1231 2.442,1232 3.811,1233 2.419,1234 0.205,1235 0.219,1236 0.31,1237 0.181,1238 0.145,1239 4.912,1240 0.199,1241 5.259,1242 0.123,1243 7.431,1244 0.543,1245 4.338,1246 0.126,1247 3.474,1248 4.765,1249 2.95,1250 13.021,1251 3.017,1252 1.929,1253 1.949,1254 2.038,1255 2.016,1256 1.343,1257 2.04,1258 1.908,1259 1.9,1260 1.879,1261 1.967,1262 1.143,1263 2.011,1264 1.454,1265 1.454,1266 1.553,1267 1.557,1268 0.686,1269 1.585,1270 1.211,1271 1.171,1272 1.52,1273 1.423,1274 0.604,1275 1.469,1276 1.169,1277 1.124,1278 1.233,1279 1.418,1280 0.582,1281 1.395,1282 1.093,1283 1.063,1284 1.071,1285 1.273,1286 0.339,1287 1.294,1288 0.996,1289 1.008,1290 1.035,1291 1.086,1292 0.235,1293 1.141,1294 0.683,1295 0.621,1296 0.97,1297 0.926,1298 0.012,1299 0.96,1300 3.892,1302 5.242,1303 2.398,1304 6.79,1305 4.595,1306 8.433,1307 6.653,1308 10.126,1310 1.813,1315 0.231,1318 5.002,1326 24.416,1327 62.816,1328 128.754,1329 155.16,1330 166.77,1331 168.77,1332 168.77,1333 49.334,1334 6.777,1335 72.8,1336 109.42,1337 17,1338 12.403,1339 4,1340 3.392,1341 34.578,1342 74,1343 60,1344 0.235,1345 157.025,1346 273.88,1347 374.9,1348 7261,1350 15.742,1351 0.716,1352 0.609,1353 16.346,1354 13.408,1355 10.488,1356 0.437,1357 0.382,1358 6.775,1359 8.959,1360 6.364,1361 5.257,1362 11.763,1363 9.165,1364 9.969,1365 0.285,1366 0.233,1367 11.866,1368 8.143,1369 8.24,1370 0.179,1371 0.146,1372 10.277,1373 6.717,1374 6.72,1375 0.116,1376 0.087,1377 8.681,1378 5.063,1379 4.964,1380 0.075,1381 0.052,1382 6.659,1383 3.46,1384 0.366,1385 78.62,1386 0.253,1387 21.583,1388 0.652,1389 118,1390 416.308,1391 193.75,1392 436.507,1393 579.97,1394 400,1395 140,1396 382.127,1397 218.197,1398 429.142,1399 623.01,1400 400,1401 6.026}
{0 CHEMBL1580149,1 1.471,2 13,3 3.003,4 9.015,5 112.654,6 6.957,7 0.387,8 4.116,9 4.232,10 3.616,11 3.621,12 5.187,13 3.594,14 4.674,15 4.858,16 3.937,17 3.997,18 5.681,19 3.949,20 4.913,21 5.105,22 4.032,23 4.171,24 5.947,25 4.094,26 5.035,27 5.268,28 3.983,29 4.193,30 6.025,31 4.087,32 5.008,33 5.232,34 3.917,35 4.183,36 6.006,37 4.063,38 5,39 5.249,40 3.802,41 4.137,42 5.925,43 3.988,44 4.918,45 5.18,46 3.727,47 4.005,48 5.788,49 3.869,50 4.776,51 5.004,52 3.65,53 3.874,54 5.763,55 3.765,56 0.009,57 0.778,58 12.593,59 5.506,60 7.681,61 7.284,62 0.27,63 1.242,64 24.014,65 8.739,66 29.172,67 11.987,68 0.366,69 1.531,70 30.763,71 11.193,72 48.263,73 15.433,74 0.395,75 1.626,76 35.762,77 12.747,78 60.344,79 17.846,80 0.453,81 1.574,82 34.708,83 12.828,84 66.065,85 17.699,86 0.425,87 1.559,88 34.561,89 12.801,90 63.928,91 18.137,92 0.366,93 1.393,94 32.331,95 11.394,96 50.192,97 16.293,98 0.468,99 1.217,100 28.115,101 9.293,102 57.511,103 12.982,104 36,105 42,106 0.242,107 0.563,108 0.765,109 0.839,110 0.845,111 0.851,112 3.407,113 0.953,114 -3.57,115 -3.54,116 -3.38,120 40.4,121 1,122 2,123 1,125 2,126 3,143 7,144 2,145 3,158 1,159 1,174 9,177 8,180 1,182 3,185 8,188 1,189 10,194 2,197 6,200 1,201 9,206 1,209 8,213 1,214 5,222 10,226 1,227 5,230 1,235 9,239 1,240 4,247 6,251 2,252 4,257 2,260 7,264 1,269 1,271 6,274 1422,275 19.549,276 19.549,277 19.549,278 19.549,279 19.549,280 17.827,281 27.32,282 11.523,283 19.99,284 15.17,285 15.17,286 15.17,287 15.17,288 15.17,289 12.411,290 34.648,291 5.308,292 15.678,293 4.362,294 2.417,295 1.192,296 0.741,297 0.706,298 0.671,299 4.089,306 1,307 1,308 787,309 3.674,313 313.55,320 2.069,321 28.844,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 63,333 377,334 4.359,335 3.729,336 6.438,337 4.045,338 3.045,339 3.982,340 1.907,341 9.894,342 3.055,343 4.078,344 3.533,345 6.105,346 3.755,347 2.8,348 3.653,349 1.277,350 8.869,351 2.682,352 4.007,353 3.169,354 5.64,355 3.671,356 2.692,357 3.328,358 0.916,359 7.822,360 2.614,361 3.69,362 3.005,363 5.436,364 3.435,365 2.474,366 2.927,367 0.86,368 7.215,369 2.373,370 3.457,371 2.606,372 5.192,373 3.188,374 2.2,375 2.578,376 0.86,377 6.379,378 2.161,379 3.248,380 2.274,381 4.864,382 2.896,383 1.892,384 2.421,385 0.172,386 5.413,387 1.892,388 2.99,389 2.196,390 4.391,391 2.717,392 1.735,393 2.064,394 0.149,395 4.472,396 1.691,397 2.919,398 1.974,399 4.371,400 2.521,401 1.608,402 2.052,404 4.125,405 1.461,406 2.5,407 1.806,408 3.72,409 2.223,410 1.229,411 1.5,413 2.753,414 1.217,415 2.398,416 1.24,417 3.452,418 2,419 1,420 1.327,422 2.275,423 1,424 2.095,425 1.051,426 3.414,427 1.866,428 0.86,429 1.013,431 2.044,432 0.852,433 1.857,434 1,435 3.014,436 1.516,437 0.585,438 0.713,440 1.087,441 0.537,442 1.472,443 0.934,444 2.94,445 1.223,446 0.322,447 0.353,449 0.618,450 0.273,451 1.451,452 0.751,453 2.579,454 1.178,455 0.248,456 0.284,458 0.428,459 0.24,460 0.926,461 0.381,462 2.461,463 0.706,464 -0.262,465 -0.29,467 -0.694,468 -0.252,469 13.633,470 0.47,471 0.677,472 0.023,473 34.75,474 1.198,475 16.5,476 0.569,477 18.25,478 0.629,479 25.72,480 0.887,481 32.567,482 0.571,483 27.15,484 0.936,485 7.042,486 0.243,487 6.953,488 0.24,489 0.159,491 0.323,496 0.752,497 1.39,498 0.841,499 1.225,500 0.56,501 1.07,502 1.045,503 1.026,504 0.921,505 0.924,506 0.62,507 0.897,508 1.004,509 1.163,510 1.075,511 1.123,512 1.043,513 1.105,514 0.968,515 1.022,516 0.99,517 1.03,518 1.065,519 1.015,520 0.969,521 1.065,522 1.068,523 1.086,524 1.053,525 1.099,526 0.702,527 1.024,528 1.008,529 1.09,530 0.932,531 1.101,532 0.83,533 0.972,534 0.903,535 0.971,536 0.775,537 0.957,538 1.252,539 1.016,540 1.145,541 1.005,542 1.287,543 1.053,544 6.5,545 0.182,546 2.889,547 1.938,548 1.618,549 0.896,550 0.686,551 0.37,552 0.283,553 0.194,554 11009,555 29761,556 2.013,557 49.1,558 2,559 19,562 1,563 4,564 2,567 1.716,568 1.871,569 3.666,570 -0.371,571 1,572 1,575 83.827,576 1.471,577 3.416,578 4.641,579 5.091,580 5.126,581 5.162,582 3.142,583 4.392,584 4.825,585 3.828,586 1554.28,587 8.389,588 21778.5,590 1,592 1,593 332.475,594 1.453,595 4.78,596 0.21,597 0.008,598 0.069,599 0.044,600 0.039,601 0.024,602 0.021,603 0.012,604 0.01,605 0.007,606 0.444,607 0.33,608 1,609 1.111,610 149.796,611 -0.016,612 -0.165,613 0.053,614 -0.084,615 -0.013,616 -0.016,617 -0.067,618 0.093,619 0.041,620 0.105,621 0.035,622 0.095,623 -0.037,624 -0.078,625 -0.114,626 -0.1,627 -0.047,628 -0.114,629 -0.039,630 -0.024,631 -0.018,632 -0.035,633 -0.028,634 -0.024,635 -0.028,636 -0.08,637 -0.103,638 -0.071,639 -0.048,640 -0.097,641 0.056,642 -0.05,643 -0.059,644 -0.088,645 -0.028,646 -0.093,647 0.017,648 -0.031,649 0.068,650 0.007,651 0.009,652 0.038,653 -0.087,654 -0.029,655 -0.138,656 -0.043,657 -0.125,658 -0.095,659 1.745,660 6.05,661 0.621,662 31.907,663 1,664 1.127,665 2.342,666 5.484,667 0.644,668 3.466,669 3.761,670 3.989,671 4.205,672 4.407,673 4.419,674 4.543,675 4.564,676 4.605,677 4.682,678 7.499,679 0.61,680 396.53,681 3.466,682 4.99,683 5.82,684 6.681,685 7.527,686 8.39,687 9.243,688 10.108,689 10.964,690 11.829,691 3.5,694 1,698 1,709 7,714 5,716 12,721 1,735 2,738 57,739 14,740 2,741 31,743 59,744 23,745 12,746 5,747 7,748 1,752 3,753 3,759 1,763 2,764 1,766 2,768 14,769 9,770 1,772 2,778 2,782 2,786 1,789 28,790 6,791 1,792 6,797 2,803 1,804 4,823 3,838 1,851 1,855 3,859 3,862 29,869 5,871 1,872 2,874 1,875 1,886 7,889 2,891 2,893 15.5,894 11.033,895 6.583,896 3.342,898 2.143,899 1.291,900 0.942,901 7.291,902 9.504,903 3.689,904 4.205,905 4.677,906 5.149,907 5.633,908 5.717,909 5.938,910 5.941,911 5.971,912 6.178,913 0.889,914 44,915 10.753,917 4.451,918 7.776,919 20.606,921 16.562,924 2.276,925 66,928 1,929 317.82,930 137.764,931 21.135,933 72.29,936 137.764,937 390.109,938 21.135,939 30.591,940 29.397,941 66.334,942 60.128,943 44.739,945 317.82,947 317.82,948 158.899,949 72.29,952 294.278,953 95.832,956 41.346,957 117.553,960 317.82,961 93.425,962 137.764,965 317.82,966 40.839,967 100.049,968 18.011,969 72.29,970 317.82,971 93.425,972 137.764,973 0.572,974 0.331,975 0.178,976 0.096,977 18,978 9,979 0.119,980 7,982 1,983 4.052,984 240.914,986 18,987 136.881,993 21.348,994 9.904,995 5.586,997 93.425,998 13.212,1003 3.816,1005 18.011,1006 549.009,1007 39,1013 24.191,1017 0.071,1020 57,1021 64.232,1022 0.252,1023 0.586,1024 0.796,1025 0.873,1026 0.879,1027 0.885,1028 4.92,1029 1.608,1030 5.796,1031 4.472,1032 4.443,1033 4.89,1034 2.693,1035 6.567,1036 4.389,1037 6.095,1038 1.229,1039 7.334,1040 4.125,1041 4.007,1042 4.649,1043 1.668,1044 7.387,1045 3.952,1046 7.381,1047 1,1048 8.966,1049 2.753,1050 6.004,1051 6.961,1052 3.285,1053 10.432,1054 5.909,1055 8.696,1056 0.86,1057 10.652,1058 2.275,1059 6.347,1060 7.486,1061 3.055,1062 12.036,1063 6.253,1064 10.04,1065 0.585,1066 12.372,1067 2.044,1068 7.818,1069 9.312,1070 4.215,1071 14.597,1072 7.696,1073 11.403,1074 0.322,1075 14.117,1076 1.087,1077 8.528,1078 10.197,1079 4.415,1080 16.544,1081 8.408,1082 12.78,1083 0.248,1084 15.879,1085 0.618,1086 9.775,1087 11.813,1088 5.331,1089 18.926,1090 9.639,1091 3.045,1092 -0.262,1093 17.654,1094 0.428,1095 10.67,1096 12.891,1097 5.751,1098 21.036,1099 10.537,1100 2.8,1101 9.894,1102 19.44,1103 -0.694,1104 11.818,1105 14.398,1106 6.537,1107 23.347,1108 11.678,1109 2.692,1110 8.869,1111 21.235,1112 3.982,1113 12.806,1114 15.589,1115 7.069,1116 25.538,1117 12.671,1118 2.474,1119 7.822,1120 23.038,1121 3.653,1122 13.913,1123 17.035,1124 7.787,1125 27.823,1126 13.777,1127 2.2,1128 7.215,1129 24.847,1130 3.328,1131 14.948,1132 18.294,1133 8.375,1134 30.054,1135 14.819,1136 1.892,1137 6.379,1138 26.661,1139 2.927,1140 16.04,1141 19.705,1142 9.058,1143 32.331,1144 15.915,1145 1.735,1146 5.413,1147 28.48,1148 2.578,1149 17.101,1150 21.006,1151 9.674,1152 34.584,1153 16.984,1154 10877,1155 17974,1156 20.285,1157 36.728,1158 45.816,1159 47.443,1160 47.502,1161 45.279,1162 45.381,1163 56.386,1164 12.285,1165 126.787,1166 44.094,1167 5.359,1168 5.729,1169 5.991,1170 5.082,1171 5.045,1172 6.982,1173 3.306,1174 16.773,1175 5.055,1176 16.381,1177 1.478,1178 1.53,1179 1.532,1180 1.461,1181 1.464,1182 1.819,1183 0.396,1184 4.09,1185 1.422,1186 4.01,1187 4.044,1188 3.948,1189 3.914,1190 7.431,1191 3.918,1192 3.921,1193 3.943,1194 3.867,1195 3.846,1196 7.425,1197 3.847,1198 3.787,1199 3.834,1200 3.686,1201 3.655,1202 4.922,1203 3.653,1204 3.533,1205 3.578,1206 3.439,1207 3.31,1208 4.749,1209 3.332,1210 3.368,1211 3.402,1212 3.275,1213 3.158,1214 4.496,1215 3.177,1216 3.247,1217 3.314,1218 3.051,1219 3.022,1220 4.309,1221 3.014,1222 3.203,1223 3.283,1224 3.034,1225 2.954,1226 4.241,1227 2.961,1228 3.141,1229 3.22,1230 2.934,1231 2.916,1232 3.979,1233 2.908,1234 0.141,1235 0.12,1236 0.208,1237 0.13,1238 0.098,1239 4.359,1240 0.128,1241 3.729,1242 0.062,1243 6.438,1244 0.319,1245 4.045,1246 0.099,1247 3.045,1248 3.982,1249 1.907,1250 9.894,1251 3.055,1252 1.951,1253 1.923,1254 2.088,1255 2.08,1256 1.429,1257 2.084,1258 1.904,1259 1.883,1260 2.008,1261 2.005,1262 1.155,1263 2.005,1264 1.77,1265 1.724,1266 1.933,1267 1.925,1268 1.072,1269 1.929,1270 1.46,1271 1.408,1272 1.711,1273 1.708,1274 0.816,1275 1.706,1276 1.294,1277 1.253,1278 1.58,1279 1.553,1280 0.773,1281 1.556,1282 1.199,1283 1.122,1284 1.575,1285 1.523,1286 0.688,1287 1.539,1288 1.192,1289 1.115,1290 1.496,1291 1.43,1292 0.574,1293 1.457,1294 1.142,1295 1.061,1296 1.479,1297 1.384,1298 0.572,1299 1.421,1300 4.143,1302 5.442,1304 6.936,1306 8.515,1308 10.137,1310 4.657,1315 4.388,1317 2.777,1318 10.596,1320 -0.027,1321 2.32,1326 34.75,1327 83.827,1328 194.733,1329 264.559,1330 290.21,1331 292.21,1332 294.21,1333 62.272,1334 7.361,1335 67.87,1336 67.87,1337 18,1338 12.378,1339 3.907,1340 3.17,1341 52.706,1342 130,1343 134,1344 0.197,1345 215.368,1346 383.62,1347 517.259,1348 16105,1350 20.803,1351 0.717,1352 0.594,1353 20.803,1354 17.235,1355 13.995,1356 0.451,1357 0.318,1358 9.69,1359 13.377,1360 9.354,1361 7.813,1362 13.995,1363 9.85,1364 12.314,1365 0.293,1366 0.176,1367 12.314,1368 7.386,1369 9.977,1370 0.188,1371 0.099,1372 9.977,1373 5.225,1374 8.128,1375 0.123,1376 0.057,1377 8.128,1378 3.793,1379 6.459,1380 0.08,1381 0.033,1382 6.459,1383 2.682,1384 0.316,1385 88.374,1386 0.222,1387 27.961,1388 0.521,1389 146,1390 444.92,1391 160.21,1392 418.774,1393 557.79,1394 392,1395 168,1396 389.73,1397 182.241,1398 397.496,1399 571.03,1400 369,1401 4.221}
{0 CHEMBL1580622,1 2.013,2 10.185,3 3.253,4 10.584,5 94.769,6 9.835,7 0.379,8 3.84,9 3.919,10 3.654,11 3.37,12 5.161,13 3.395,14 4.333,15 4.433,16 4.06,17 3.698,18 5.96,19 3.714,20 4.413,21 4.543,22 4.021,23 3.754,24 5.76,25 3.737,26 4.428,27 4.576,28 4.04,29 3.771,30 5.785,31 3.756,32 4.505,33 4.646,34 4.08,35 3.793,36 6.018,37 3.787,38 4.456,39 4.596,40 3.962,41 3.71,42 5.879,43 3.717,44 4.378,45 4.523,46 3.913,47 3.643,48 5.912,49 3.618,50 4.394,51 4.543,52 3.749,53 3.585,54 5.769,55 3.581,56 0.278,57 0.725,58 4.283,59 3.661,60 35.729,61 3.102,62 0.925,63 1.197,64 13.289,65 6.104,66 105.979,67 5.305,68 0.735,69 1.081,70 14.071,71 6.593,72 85.581,73 5.641,74 0.664,75 1.203,76 16.629,77 7.172,78 64.582,79 6.606,80 0.92,81 1.333,82 18.127,83 7.811,84 107.022,85 6.985,86 0.831,87 1.163,88 16.483,89 6.903,90 116.451,91 5.387,92 0.798,93 0.981,94 14.994,95 6.695,96 97.029,97 6.871,98 0.776,99 1.025,100 15.685,101 6.862,102 100.717,103 6.233,104 35,105 40,106 0.354,107 0.715,108 0.824,109 0.874,110 0.874,111 0.874,112 3.34,113 0.886,114 -2.84,115 -2.85,116 -2.76,120 42.5,126 1,130 1,136 1,139 1,143 6,145 2,152 1,153 1,159 2,160 1,164 1,165 1,166 1,174 3,176 2,177 10,179 1,180 1,185 3,188 1,189 7,194 1,197 3,199 1,200 1,201 6,209 3,213 5,214 7,216 2,217 2,222 4,227 3,235 3,239 3,240 6,242 1,243 1,245 3,247 3,249 3,252 5,257 2,260 4,262 2,263 1,264 1,266 1,267 1,269 1,271 2,273 1,274 1296,275 17.861,276 17.861,277 17.861,278 17.861,279 17.861,280 15.876,281 18.596,282 10.668,283 18.526,284 14.338,285 14.338,286 14.338,287 14.338,288 14.338,289 11.257,290 20.696,291 5.122,292 15.46,293 3.309,294 1.257,295 0.638,296 0.35,297 0.35,298 0.35,299 4.017,306 1,307 1,308 574,309 3.674,312 167.88,313 90.657,320 1.687,321 46.645,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 62.5,333 275,334 4.526,335 4.589,336 6.889,337 4.187,338 3.25,339 3.97,340 3.87,341 11.49,342 3.056,343 4.056,344 3.777,345 5.806,346 3.632,347 2.666,348 3.633,349 2.621,350 8.014,351 2.595,352 3.906,353 3.49,354 5.46,355 3.492,356 2.545,357 3.411,358 1.966,359 7.283,360 2.422,361 3.578,362 3.46,363 5.27,364 3.229,365 2.26,366 2.824,367 1.179,368 6.592,369 2.191,370 3.547,371 2.808,372 5.174,373 3.176,374 2.241,375 2.742,376 0.693,377 6.105,378 2.081,379 3.338,380 2.658,381 4.626,382 2.831,383 1.943,384 2.489,385 0.302,386 5,387 1.683,388 3.032,389 2.572,390 4.521,391 2.663,392 1.812,393 2.065,394 0.221,395 4.595,396 1.487,397 2.869,398 2.367,399 4.35,400 2.379,401 1.392,402 1.907,404 3.898,405 1.353,406 2.5,407 1.946,408 3.467,409 2.061,410 1.083,411 1.5,413 2.509,414 1.055,415 2.476,416 1.213,417 3.414,418 2,419 1,420 1.439,422 2.275,423 1,424 2.118,425 1.16,426 3.176,427 1.618,428 0.618,429 0.927,431 1.372,432 0.618,433 1.818,434 1,435 3,436 1.441,437 0.584,438 0.664,440 1.339,441 0.479,442 1.674,443 0.641,444 2.829,445 1.088,446 0.144,447 0.192,449 0.358,450 0.132,451 1.114,452 0.618,453 2.612,454 0.741,455 -0.18,456 -0.23,458 -0.49,459 -0.164,460 0.814,461 0.51,462 2.326,463 0.445,464 -0.501,465 -0.578,467 -1.339,468 -0.448,469 12.438,470 0.461,471 0.736,472 0.027,473 35,474 1.296,475 17,476 0.63,477 18,478 0.667,479 20.305,480 0.752,481 29.562,482 0.739,483 28.413,484 1.052,485 7.229,486 0.268,487 5.706,488 0.211,489 0.132,491 0.354,493 2,496 0.725,497 1.01,498 0.638,499 0.943,500 0.638,501 0.83,502 0.65,503 0.864,504 0.972,505 1.086,506 0.574,507 0.96,508 0.898,509 0.786,510 0.969,511 0.935,512 0.796,513 0.95,514 0.777,515 0.954,516 1.002,517 1.061,518 0.662,519 0.926,520 0.9,521 0.998,522 1.146,523 1.057,524 1.034,525 0.991,526 1.187,527 0.953,528 1.23,529 1.073,530 1.283,531 1.045,532 0.517,533 0.63,534 0.86,535 1.042,536 0.538,537 1.076,538 1.063,539 0.968,540 1.092,541 1.112,542 1.02,543 1.162,544 6,545 0.111,546 2.444,547 2.264,548 1.517,549 0.921,550 0.923,551 0.346,552 0.307,553 0.277,554 8197,555 35797,556 2.014,557 32.5,559 9,560 1,561 1,562 2,567 1.706,568 1.862,569 3.309,570 0.377,571 1,572 1,575 80.53,576 2.013,577 4.065,578 4.684,579 4.972,580 4.972,581 4.972,582 2.732,583 4.208,584 4.717,585 3.519,586 1235.08,587 8.226,588 15990.6,590 1,592 1,593 212.877,594 1.487,595 4.672,596 0.207,597 0.007,598 0.061,599 0.061,600 0.039,601 0.022,602 0.026,603 0.01,604 0.01,605 0.011,606 0.454,607 0.33,608 1,609 1.359,610 133.465,611 -0.1,612 -0.095,613 0.023,614 -0.012,615 -0.109,616 0.013,617 0.243,618 0.165,619 -0.042,620 -0.044,621 0.192,622 -0.076,623 -0.16,624 -0.028,625 -0.023,626 0.063,627 -0.109,628 -0.002,629 -0.073,630 -0.088,631 0.021,632 -0.012,633 0.004,634 0.064,635 -0.004,636 0.031,637 -0.124,638 -0.01,639 -0.062,640 -0.041,641 -0.294,642 -0.012,643 -0.263,644 -0.078,645 -0.273,646 -0.123,647 0.232,648 0.092,649 0.093,650 -0.066,651 0.19,652 -0.07,653 -0.193,654 -0.189,655 -0.178,656 -0.171,657 -0.169,658 -0.163,659 4.282,660 5.771,661 0.593,662 29.333,663 1.05,664 1.136,665 1.609,666 2.588,667 0.698,668 3.401,669 3.714,670 3.932,671 4.22,672 4.369,673 4.489,674 4.71,675 4.796,676 4.796,677 4.812,678 6.324,679 0.701,680 393.4,681 3.401,682 4.934,683 5.765,684 6.642,685 7.502,686 8.389,687 9.264,688 10.157,689 11.044,690 11.941,691 7.5,698 2,700 1,709 7,712 1,714 3,716 11,735 1,738 40,739 15,740 1,741 29,743 42,744 17,745 10,746 2,747 4,748 4,752 3,753 3,768 15,769 2,772 4,778 2,780 1,781 1,782 4,786 1,787 2,788 1,789 13,790 9,791 2,792 10,793 1,797 3,803 1,804 4,822 2,823 1,837 1,839 1,845 2,855 3,856 1,857 1,861 2,862 27,863 1,869 1,872 1,873 1,874 1,875 1,885 2,886 10,889 2,891 2,893 14.5,894 7.102,895 5.944,896 2.047,898 2.557,899 1.36,900 0.974,901 6.062,902 9.663,903 3.676,904 4.216,905 4.706,906 5.26,907 5.658,908 5.956,909 6.414,910 6.766,911 6.995,912 7.291,913 0.857,914 37,915 10.057,917 4.385,918 8.401,919 17.817,921 14.033,924 2.901,925 78.333,928 1,929 129.482,930 147.673,931 52.807,933 70.797,934 29.92,935 32.22,936 115.454,937 200.279,938 82.727,940 36.921,941 78.073,942 74.227,943 75.213,944 17.913,945 138.159,946 10.173,947 129.482,948 168.261,949 100.717,950 32.22,952 129.482,953 100.717,956 63.879,957 92.148,958 12.233,959 32.22,960 159.402,961 123.604,962 147.673,965 139.655,966 59.427,967 81.198,969 150.4,970 129.482,971 153.524,972 147.673,973 0.577,974 0.311,975 0.172,976 0.092,977 18,978 9,979 0.143,980 6,982 1,983 3.831,984 224.615,986 16,987 122.382,989 1,993 19.298,994 8.481,995 4.829,997 153.524,998 10.261,1001 5.186,1003 0.763,1005 32.897,1006 430.68,1007 38.5,1013 23.862,1015 1.46,1016 4.243,1017 -0.691,1020 42.018,1021 45.423,1022 0.378,1023 0.764,1024 0.88,1025 0.934,1026 0.934,1027 0.934,1028 4.911,1029 1.392,1030 5.753,1031 4.595,1032 4.394,1033 4.902,1034 3.939,1035 6.547,1036 4.271,1037 6.11,1038 1.083,1039 7.299,1040 3.898,1041 4.007,1042 4.62,1043 3.154,1044 7.434,1045 3.822,1046 7.403,1047 1,1048 8.946,1049 2.509,1050 5.964,1051 6.982,1052 6.209,1053 10.545,1054 5.735,1055 8.73,1056 0.618,1057 10.654,1058 2.275,1059 6.382,1060 7.489,1061 5.667,1062 12.331,1063 6.098,1064 10.087,1065 0.584,1066 12.404,1067 1.372,1068 7.828,1069 9.323,1070 8.769,1071 14.985,1072 7.5,1073 11.466,1074 0.144,1075 14.186,1076 1.339,1077 8.631,1078 10.211,1079 8.306,1080 17.163,1081 8.242,1082 12.863,1083 -0.18,1084 15.995,1085 0.358,1086 9.885,1087 11.81,1088 11.403,1089 19.671,1090 9.447,1091 3.25,1092 -0.501,1093 17.824,1094 -0.49,1095 10.878,1096 12.903,1097 11.069,1098 22.011,1099 10.373,1100 2.666,1101 11.49,1102 19.671,1103 -1.339,1104 12.063,1105 14.385,1106 14.061,1107 24.473,1108 11.504,1109 2.545,1110 8.014,1111 21.533,1112 3.97,1113 13.148,1114 15.591,1115 13.878,1116 26.875,1117 12.52,1118 2.26,1119 7.283,1120 23.407,1121 3.633,1122 14.314,1123 17.014,1124 16.73,1125 29.322,1126 13.627,1127 2.241,1128 6.592,1129 25.291,1130 3.411,1131 15.444,1132 18.284,1133 16.692,1134 31.748,1135 14.688,1136 1.943,1137 6.105,1138 27.184,1139 2.824,1140 16.607,1141 19.677,1142 19.404,1143 34.191,1144 15.789,1145 1.812,1146 5,1147 29.083,1148 2.742,1149 17.759,1150 20.985,1151 19.496,1152 36.626,1153 16.874,1154 8162,1155 17190,1156 18.898,1157 27.926,1158 44.356,1159 46.339,1160 44.242,1161 43.209,1162 43.074,1163 55.525,1164 21.703,1165 121.658,1166 40.304,1167 5.442,1168 6.589,1169 6.503,1170 5.312,1171 5.25,1172 6.97,1173 7.591,1174 18.678,1175 5.056,1176 15.259,1177 1.53,1178 1.598,1179 1.526,1180 1.49,1181 1.485,1182 1.915,1183 0.748,1184 4.195,1185 1.39,1186 4.002,1187 4.024,1188 4.058,1189 3.884,1190 8.365,1191 3.894,1192 3.878,1193 3.89,1194 3.83,1195 3.759,1196 7.999,1197 3.772,1198 3.684,1199 3.705,1200 3.801,1201 3.559,1202 7.437,1203 3.545,1204 3.54,1205 3.578,1206 3.536,1207 3.342,1208 7.428,1209 3.345,1210 3.344,1211 3.384,1212 3.317,1213 2.968,1214 5.094,1215 3.036,1216 2.962,1217 3.012,1218 3.153,1219 2.824,1220 4.884,1221 2.816,1222 2.854,1223 2.925,1224 2.828,1225 2.735,1226 4.824,1227 2.715,1228 2.841,1229 2.9,1230 2.687,1231 2.628,1232 4.61,1233 2.628,1234 0.156,1235 0.158,1236 0.238,1237 0.144,1238 0.112,1239 4.526,1240 0.137,1241 4.589,1242 0.133,1243 6.889,1244 0.396,1245 4.187,1246 0.105,1247 3.25,1248 3.97,1249 3.87,1250 11.49,1251 3.056,1252 1.882,1253 1.859,1254 1.979,1255 1.991,1256 1.075,1257 1.986,1258 1.644,1259 1.626,1260 1.738,1261 1.777,1262 0.842,1263 1.76,1264 1.492,1265 1.467,1266 1.614,1267 1.722,1268 0.812,1269 1.708,1270 1.408,1271 1.377,1272 1.572,1273 1.586,1274 0.57,1275 1.587,1276 1.208,1277 1.181,1278 1.287,1279 1.562,1280 0.335,1281 1.475,1282 1.058,1283 1.052,1284 1.181,1285 1.388,1286 0.218,1287 1.327,1288 1.028,1289 0.988,1290 1.167,1291 1.325,1292 0.197,1293 1.282,1294 0.886,1295 0.821,1296 1.14,1297 1.062,1298 0.101,1299 1.107,1300 4.078,1302 5.389,1303 3.045,1304 6.866,1305 5.352,1306 8.427,1307 7.402,1308 10.043,1312 24.569,1313 5.164,1315 -0.08,1318 4.299,1319 0.988,1320 -2.949,1321 1.258,1326 28.038,1327 80.53,1328 162.612,1329 187.367,1330 198.877,1331 198.877,1332 198.877,1333 62.913,1334 7.107,1335 100.35,1336 125.65,1337 16,1338 12.467,1339 4,1340 3.392,1341 46.685,1342 96,1343 111,1344 0.23,1345 175.209,1346 318.83,1347 419.269,1348 10085,1349 5,1350 19.389,1351 0.718,1352 0.537,1353 18.165,1354 14.489,1355 12.936,1356 0.446,1357 0.295,1358 7.475,1359 11.692,1360 7.307,1361 6.006,1362 12.534,1363 8.567,1364 11.96,1365 0.299,1366 0.154,1367 11.29,1368 6.15,1369 8.967,1370 0.179,1371 0.086,1372 9.516,1373 4.276,1374 7.637,1375 0.114,1376 0.045,1377 7.882,1378 2.993,1379 5.729,1380 0.073,1381 0.025,1382 6.114,1383 1.947,1384 0.355,1385 87.963,1386 0.23,1387 25.864,1388 0.648,1389 138,1390 648.627,1391 188.904,1392 574.593,1393 745.29,1394 534,1395 159,1396 497.944,1397 201.409,1398 500.363,1399 740.95,1400 466,1401 4.862}
{0 CHEMBL1581151,1 1.657,2 13.25,3 4.181,4 17.48,5 123.49,6 8.174,7 0.343,8 4.106,9 4.205,10 3.787,11 3.703,12 5.255,13 3.67,14 4.636,15 4.78,16 4.197,17 4.084,18 5.799,19 4.032,20 4.891,21 5.069,22 4.244,23 4.207,24 6.036,25 4.133,26 4.967,27 5.17,28 4.243,29 4.145,30 6.169,31 4.083,32 4.885,33 5.059,34 4.087,35 3.992,36 6.298,37 3.961,38 4.768,39 4.948,40 3.893,41 3.963,42 5.97,43 3.9,44 4.794,45 5.02,46 3.967,47 3.978,48 5.963,49 3.894,50 4.781,51 4.976,52 3.964,53 3.992,54 5.954,55 3.911,56 0.053,57 0.776,58 10.022,59 5.213,60 9.792,61 6.086,62 0.385,63 1.295,64 20.981,65 8.674,66 38.345,67 10.646,68 0.504,69 1.589,70 29.632,71 11.404,72 65.995,73 13.539,74 0.561,75 1.622,76 36.508,77 12.562,78 77.642,79 14.605,80 1.054,81 1.429,82 34.648,83 10.639,84 142.716,85 11.384,86 0.515,87 1.289,88 25.381,89 9.607,90 87.535,91 11.109,92 0.502,93 1.346,94 29.056,95 10.619,96 84.428,97 13.657,98 0.495,99 1.36,100 27.488,101 10.087,102 61.724,103 12.283,104 27,105 49,106 0.271,107 0.614,108 0.757,109 0.83,110 0.859,111 0.859,112 3.502,113 0.955,114 -4.03,115 -3.98,116 -3.77,120 43.6,121 2,122 1,123 1,126 1,128 1,136 1,139 1,143 9,144 1,145 2,159 3,160 1,174 12,176 3,177 7,180 1,182 2,185 12,188 1,189 6,192 2,194 3,197 8,200 1,201 12,206 2,209 5,213 5,214 12,219 2,222 5,227 5,230 1,232 2,235 6,239 2,240 9,247 8,251 1,252 10,255 2,257 1,260 7,264 9,271 5,274 1776,275 21.43,276 21.43,277 21.43,278 21.43,279 21.43,280 19.147,281 21.497,282 12.703,283 21.854,284 17.3,285 17.3,286 17.3,287 17.3,288 17.3,289 13.729,290 23.141,291 6.058,292 18.014,293 4.124,294 2.028,295 1.157,296 0.711,297 0.537,298 0.537,299 4.196,306 1,307 1,308 924,309 4.416,312 64.452,313 293.733,316 249.969,320 2.016,321 40.754,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 69.5,333 424,334 4.548,335 4.711,336 6.924,337 4.2,338 3.282,339 4.043,340 3.66,341 11.668,342 3.02,343 4.09,344 3.862,345 6.354,346 3.923,347 2.944,348 3.48,349 2.483,350 9.498,351 2.871,352 3.985,353 3.611,354 5.801,355 3.594,356 2.595,357 3.453,358 1.986,359 7.948,360 2.595,361 3.922,362 3.584,363 5.474,364 3.532,365 2.56,366 3.197,367 1.188,368 7.35,369 2.474,370 3.489,371 3.219,372 5.293,373 3.119,374 2.159,375 2.693,376 1.014,377 6.553,378 2.087,379 3.436,380 2.736,381 5.092,382 3.062,383 2.053,384 2.592,385 0.585,386 5.884,387 2.032,388 3.383,389 2.615,390 4.807,391 2.859,392 1.946,393 2.559,394 0.366,395 5.416,396 1.779,397 3.035,398 2.457,399 4.661,400 2.792,401 1.811,402 2.062,403 0.225,404 4.646,405 1.733,406 2.867,407 2.424,408 4.443,409 2.418,410 1.459,411 1.999,412 0.073,413 4.066,414 1.408,415 2.853,416 1.569,417 3.625,418 2.409,419 1.41,420 1.978,422 3.029,423 1.375,424 2.807,425 1.561,426 3.608,427 2.326,428 1.345,429 1.893,431 2.95,432 1.311,433 2.5,434 1.516,435 3.455,436 2,437 1,438 1.5,440 2.136,441 1,442 1.93,443 1.261,444 3.282,445 1.752,446 0.824,447 0.874,449 2.031,450 0.755,451 1.779,452 1.002,453 3.247,454 1.44,455 0.492,456 0.59,458 1.273,459 0.456,460 1.668,461 1,462 2.993,463 1.258,464 0.326,465 0.386,467 0.786,468 0.296,469 15.367,470 0.48,471 0.839,472 0.026,473 41,474 1.281,475 20.5,476 0.641,477 20.5,478 0.641,479 28.384,480 0.887,481 33.833,482 0.615,483 32.765,484 1.024,485 8.053,486 0.252,487 7.365,488 0.23,489 0.13,491 0.351,496 0.676,497 1.216,498 0.711,499 0.972,500 0.548,501 0.907,502 0.607,503 1.155,504 0.769,505 0.994,506 0.541,507 0.94,508 0.995,509 1.056,510 0.97,511 0.978,512 1.005,513 0.99,514 1.265,515 1.011,516 0.951,517 0.983,518 1.161,519 0.88,520 1.713,521 0.901,522 1.239,523 0.952,524 1.675,525 0.922,526 1.568,527 0.976,528 1.007,529 0.92,530 1.738,531 1.07,532 0.79,533 0.931,534 0.692,535 0.861,536 0.799,537 0.874,538 1.102,539 1.007,540 0.987,541 1.032,542 0.946,543 1.072,544 6.5,545 0.196,546 3.111,547 2.979,548 1.933,549 0.823,550 0.791,551 0.484,552 0.378,553 0.344,554 15329,555 43045,556 2.063,557 41.8,558 6,559 13,562 1,563 2,564 1,567 1.743,568 1.92,569 3.671,570 -0.341,572 1,575 91.139,576 1.657,577 3.754,578 4.624,579 5.07,580 5.245,581 5.245,582 3.129,583 4.515,584 4.974,585 3.867,586 1918.11,587 8.686,588 28838.9,590 1,593 317.975,594 1.448,595 4.925,596 0.186,597 0.007,598 0.063,599 0.06,600 0.04,601 0.02,602 0.022,603 0.013,604 0.01,605 0.01,606 0.431,607 0.33,608 1,609 0.731,610 170.141,611 -0.033,612 -0.116,613 0.059,614 -0.005,615 -0.044,616 0.011,617 0.212,618 -0.084,619 0.13,620 -0.013,621 0.073,622 -0.002,623 -0.009,624 -0.016,625 -0.008,626 -0.007,627 -0.084,628 -0.044,629 -0.061,630 -0.029,631 0.115,632 0.013,633 -0.005,634 0.089,635 -0.01,636 0.087,637 -0.166,638 0.008,639 0.03,640 -0.025,641 -0.258,642 -0.032,643 -0.183,644 -0.057,645 -0.263,646 -0.149,647 0.143,648 0.001,649 0.207,650 0.056,651 0.146,652 0.128,653 -0.022,654 -0.028,655 -0.065,656 -0.101,657 -0.027,658 -0.117,659 2.222,660 5.69,661 0.594,662 33.25,663 1.01,664 1.116,665 2.798,666 7.827,667 0.693,668 3.584,669 3.912,670 4.174,671 4.466,672 4.654,673 4.691,674 4.852,675 4.977,676 4.97,677 5.024,678 7.797,679 0.661,680 449.57,681 3.584,682 5.13,683 5.979,684 6.864,685 7.732,686 8.624,687 9.502,688 10.398,689 11.284,690 12.183,691 5.5,698 2,700 1,709 9,714 3,716 12,738 55,739 17,740 2,741 35,743 58,744 24,745 12,746 3,747 9,748 4,752 4,753 7,759 2,766 2,768 18,769 6,770 1,772 5,778 3,780 1,781 1,782 5,786 1,789 23,790 7,791 1,792 8,793 1,797 3,803 0.5,804 4,822 1,823 3,826 2,838 1,839 1,841 1,845 2,855 2,856 1,857 1,859 2,862 32,869 2,871 1,872 1,873 1,874 2,875 1,886 7.3,889 3,891 1,893 16.667,894 10.483,895 7,896 3.306,898 2.636,899 1.337,900 0.969,901 6.779,902 10.454,903 3.85,904 4.382,905 4.856,906 5.391,907 5.854,908 5.98,909 6.342,910 6.708,911 6.873,912 7.096,913 0.889,914 50,915 11.939,917 5.189,918 7.901,919 22.371,921 18.377,924 2.401,925 76.833,928 1,929 258.964,930 179.303,931 37.921,933 86.435,935 32.22,936 147.083,937 345.399,938 37.921,939 17.65,940 28.262,941 94.762,942 94.792,943 35.278,944 0.693,945 291.184,947 258.964,948 185.004,949 86.435,950 32.22,952 247.193,953 98.206,956 62.698,957 110.073,958 12.233,959 32.22,960 258.964,961 124.355,962 179.303,965 258.964,966 66.89,967 115.537,968 18.011,969 103.22,970 258.964,971 124.355,972 179.303,973 0.582,974 0.337,975 0.19,976 0.101,977 23,978 11,979 0.138,980 8,981 2,982 1.211,983 4.338,984 286.574,985 0.211,986 19,987 154,989 1,993 22.316,994 9.721,995 5.141,997 124.355,998 16.892,1003 2.615,1005 18.011,1006 562.622,1007 46,1013 37.711,1015 1.373,1016 4.483,1017 -0.126,1020 55.527,1021 61.405,1022 0.287,1023 0.649,1024 0.8,1025 0.877,1026 0.907,1027 0.907,1028 5.1,1029 1.811,1030 5.969,1031 5.416,1032 4.595,1033 5.069,1034 3.905,1035 6.786,1036 4.515,1037 6.292,1038 1.459,1039 7.53,1040 4.646,1041 4.205,1042 4.783,1043 3,1044 7.7,1045 4.093,1046 7.589,1047 1.41,1048 9.192,1049 4.066,1050 6.188,1051 7.123,1052 6.002,1053 10.826,1054 6.015,1055 8.914,1056 1.345,1057 10.916,1058 3.029,1059 6.608,1060 7.587,1061 5.498,1062 12.616,1063 6.379,1064 10.27,1065 1,1066 12.68,1067 2.95,1068 8.081,1069 9.444,1070 8.419,1071 15.271,1072 7.798,1073 11.647,1074 0.824,1075 14.473,1076 2.136,1077 8.889,1078 10.286,1079 8.082,1080 17.443,1081 8.53,1082 13.042,1083 0.492,1084 16.29,1085 2.031,1086 10.159,1087 11.922,1088 10.925,1089 19.945,1090 9.745,1091 3.282,1092 0.326,1093 18.124,1094 1.273,1095 11.157,1096 12.981,1097 10.752,1098 22.279,1099 10.656,1100 2.944,1101 11.668,1102 19.974,1103 0.786,1104 12.35,1105 14.5,1106 13.462,1107 24.736,1108 11.785,1109 2.595,1110 9.498,1111 21.835,1112 4.043,1113 13.437,1114 15.687,1115 13.449,1116 27.136,1117 12.782,1118 2.56,1119 7.948,1120 23.707,1121 3.48,1122 14.606,1123 17.142,1124 16.012,1125 29.583,1126 13.878,1127 2.159,1128 7.35,1129 25.588,1130 3.453,1131 15.735,1132 18.408,1133 16.146,1134 32.012,1135 14.917,1136 2.053,1137 6.553,1138 27.476,1139 3.197,1140 16.899,1141 19.829,1142 18.569,1143 34.459,1144 16.001,1145 1.946,1146 5.884,1147 29.369,1148 2.693,1149 18.051,1150 21.143,1151 18.831,1152 36.901,1153 17.062,1154 14485,1155 24488,1156 23.175,1157 38.097,1158 53.211,1159 56.819,1160 54.118,1161 52.31,1162 52.414,1163 66.597,1164 23.161,1165 150.465,1166 50.386,1167 5.495,1168 6.711,1169 6.726,1170 5.339,1171 5.282,1172 7.043,1173 7.14,1174 18.791,1175 5.02,1176 16.468,1177 1.52,1178 1.623,1179 1.546,1180 1.495,1181 1.498,1182 1.903,1183 0.662,1184 4.299,1185 1.44,1186 4.01,1187 4.035,1188 4.149,1189 3.944,1190 7.436,1191 3.926,1192 3.928,1193 3.959,1194 3.862,1195 3.861,1196 7.427,1197 3.853,1198 3.795,1199 3.834,1200 3.717,1201 3.645,1202 7.425,1203 3.654,1204 3.693,1205 3.728,1206 3.624,1207 3.57,1208 4.832,1209 3.578,1210 3.443,1211 3.493,1212 3.368,1213 3.252,1214 4.744,1215 3.263,1216 3.333,1217 3.35,1218 3.332,1219 3.119,1220 4.607,1221 3.111,1222 3.084,1223 3.134,1224 3.211,1225 2.988,1226 4.349,1227 2.959,1228 3,1229 3.01,1230 2.955,1231 2.824,1232 4.195,1233 2.826,1234 0.13,1235 0.135,1236 0.198,1237 0.12,1238 0.094,1239 4.548,1240 0.116,1241 4.711,1242 0.105,1243 6.924,1244 0.333,1245 4.2,1246 0.086,1247 3.282,1248 4.043,1249 3.66,1250 11.668,1251 3.02,1252 1.918,1253 1.89,1254 2.047,1255 2.018,1256 1.246,1257 2.026,1258 1.869,1259 1.845,1260 1.971,1261 1.978,1262 1.155,1263 1.971,1264 1.761,1265 1.722,1266 1.963,1267 1.929,1268 1.077,1269 1.941,1270 1.698,1271 1.662,1272 1.795,1273 1.844,1274 0.941,1275 1.845,1276 1.391,1277 1.344,1278 1.603,1279 1.626,1280 0.72,1281 1.623,1282 1.205,1283 1.181,1284 1.417,1285 1.5,1286 0.516,1287 1.46,1288 1.024,1289 0.977,1290 1.395,1291 1.257,1292 0.469,1293 1.308,1294 0.934,1295 0.916,1296 1.263,1297 1.239,1298 0.43,1299 1.268,1300 4.263,1302 5.587,1303 2.398,1304 7.099,1305 4.844,1306 8.701,1307 7.066,1308 10.354,1310 3.672,1315 0.037,1317 2.762,1318 5.421,1319 1.399,1320 -0.953,1321 1.548,1326 36.378,1327 91.139,1328 206.452,1329 254.326,1330 278.855,1331 288.465,1332 288.465,1333 72.999,1334 7.818,1335 89.77,1336 118.01,1337 23,1338 12.709,1339 4.17,1340 3.585,1341 52.066,1342 152,1343 146,1344 0.164,1345 226.71,1346 410.15,1347 544.934,1348 29334,1350 22.665,1351 0.708,1352 0.581,1353 23.018,1354 18.595,1355 15.419,1356 0.441,1357 0.318,1358 10.264,1359 14.451,1360 9.902,1361 8.245,1362 15.827,1363 11.139,1364 14.139,1365 0.289,1366 0.18,1367 14.782,1368 8.842,1369 11.363,1370 0.178,1371 0.095,1372 12.138,1373 6.077,1374 9.941,1375 0.116,1376 0.052,1377 10.94,1378 4.485,1379 7.842,1380 0.075,1381 0.028,1382 8.762,1383 2.964,1384 0.264,1385 100.552,1386 0.208,1387 30.301,1388 0.435,1389 168,1390 531.426,1391 212.275,1392 527.734,1393 711.11,1394 492,1395 197,1396 498.121,1397 237.957,1398 517.124,1399 761.5,1400 486,1401 4.668}
{0 CHEMBL1581193,1 1.913,2 11.926,3 4.704,4 22.123,5 110.298,6 9.69,7 0.414,8 3.896,9 3.99,10 3.72,11 3.516,12 5.074,13 3.47,14 4.429,15 4.571,16 4.11,17 3.92,18 5.681,19 3.847,20 4.696,21 4.872,22 4.247,23 4.067,24 5.819,25 3.972,26 4.734,27 4.903,28 4.173,29 4.042,30 5.914,31 3.931,32 4.789,33 4.986,34 4.204,35 3.997,36 6.04,37 3.871,38 4.673,39 4.888,40 3.789,41 3.768,42 5.843,43 3.662,44 4.392,45 4.587,46 3.623,47 3.585,48 5.605,49 3.498,50 4.242,51 4.429,52 3.777,53 3.55,54 5.531,55 3.449,56 0.171,57 0.633,58 5.448,59 3.872,60 8.737,61 4.443,62 0.405,63 1.045,64 15.577,65 7.122,66 44.262,67 7.79,68 0.578,69 1.281,70 28.426,71 9.814,72 47.166,73 10.775,74 0.645,75 1.237,76 28.037,77 10.598,78 71.823,79 11.618,80 0.862,81 1.256,82 43.228,83 12.183,84 103.67,85 12.861,86 0.813,87 1.128,88 35.722,89 10.006,90 102.216,91 10.465,92 0.604,93 0.839,94 20.153,95 6.938,96 74.009,97 7.611,98 0.428,99 0.75,100 16.053,101 6.439,102 43.749,103 7.73,104 27,105 40,106 0.331,107 0.588,108 0.691,109 0.776,110 0.819,111 0.819,112 3.339,113 1.038,114 -5.09,115 -4.99,116 -4.67,120 40.9,126 5,143 7,145 5,159 1,167 2,174 4,176 2,177 1,185 8,188 2,189 8,197 7,200 2,201 5,209 1,213 1,214 8,222 1,226 1,227 8,239 2,240 1,251 1,252 7,263 2,264 4,271 3,274 1069,275 17.913,276 17.913,277 17.913,278 17.913,279 17.913,280 15.923,281 19.591,282 10.495,283 18.591,284 14.256,285 14.256,286 14.256,287 14.256,288 14.256,289 11.298,290 22.018,291 4.931,292 15.445,293 3.547,294 2.057,295 1.464,296 0.972,297 0.727,298 0.727,299 4.019,303 2,306 1,307 1,308 680,309 3.391,313 294.448,320 2.014,321 35.668,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59.167,333 322,334 4.524,335 4.464,336 6.84,337 4.122,338 3.18,339 4.227,340 3.36,341 11.288,342 2.987,343 4.031,344 3.828,345 6.028,346 3.744,347 2.796,348 3.616,349 2.612,350 8.575,351 2.645,352 3.937,353 3.686,354 5.634,355 3.524,356 2.603,357 3.287,358 1.776,359 7.18,360 2.367,361 3.808,362 3.282,363 5.41,364 3.295,365 2.355,366 3.102,367 0.8,368 7.108,369 2.203,370 3.418,371 2.915,372 5.06,373 3,374 2.121,375 2.695,376 0.545,377 5.764,378 1.848,379 3.301,380 2.688,381 4.889,382 2.922,383 2.045,384 2.438,386 5.673,387 1.69,388 2.894,389 2.555,390 4.218,391 2.447,392 1.476,393 2.013,395 3.823,396 1.419,397 2.77,398 2.173,399 3.932,400 2.262,401 1.313,402 1.794,404 2.969,405 1.193,406 2.5,407 1.889,408 3.726,409 2.028,410 1.061,411 1.5,413 2.731,414 1.019,415 2.404,416 1.274,417 3.414,418 2,419 1,420 1.355,422 2.275,423 1,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.826,434 1.03,435 3.058,436 1.408,437 0.551,438 0.651,440 1.248,441 0.444,442 1.162,443 1,444 2.655,445 0.824,446 -0.053,447 -0.061,449 -0.129,450 -0.039,451 1.096,452 1,453 2.344,454 0.615,455 -0.224,456 -0.273,458 -0.481,459 -0.152,460 1,461 0.556,462 2.253,463 0.403,464 -0.503,465 -0.632,467 -1.164,468 -0.42,469 13.462,470 0.499,471 0.72,472 0.027,473 35,474 1.296,475 17.5,476 0.648,477 17.5,478 0.648,479 22.961,480 0.85,481 29.138,482 0.662,483 25.382,484 0.94,485 6.752,486 0.25,487 6.2,488 0.23,489 0.18,491 0.312,496 0.448,497 1.239,498 0.555,499 0.823,500 0.464,501 0.847,502 0.651,503 1.135,504 0.779,505 0.901,506 0.416,507 0.886,508 0.861,509 0.981,510 0.968,511 1.017,512 0.701,513 0.977,514 0.979,515 1.165,516 0.989,517 1.109,518 1.061,519 1.155,520 1.033,521 1.045,522 1.079,523 1.132,524 1.061,525 1.064,526 1.362,527 0.919,528 1.087,529 1.021,530 1.473,531 1.014,532 1.274,533 0.835,534 0.818,535 0.736,536 1.513,537 0.939,538 0.436,539 1.062,540 0.612,541 1.007,542 0.573,543 1.038,544 5.5,545 0.12,546 3.556,547 1.938,548 1.618,549 0.951,550 0.544,551 0.373,552 0.259,553 0.164,554 9199,555 35698,556 2.014,557 38.6,559 17,567 1.696,568 1.862,569 3.486,570 -0.659,575 84.16,576 1.913,577 3.402,578 3.996,579 4.488,580 4.732,581 4.732,582 2.936,583 4.236,584 4.725,585 3.713,586 1303.34,587 8.178,588 17287.8,590 1,593 240.215,594 1.487,595 4.672,596 0.19,597 0.007,598 0.089,599 0.046,600 0.043,601 0.027,602 0.02,603 0.016,604 0.011,605 0.008,606 0.457,607 0.17,608 1,609 0.803,610 135.894,611 0.134,612 -0.085,613 0.029,614 0.023,615 0.022,616 -0.011,617 0.048,618 0.006,619 -0.016,620 0.041,621 0.166,622 0.011,623 -0.054,624 0.085,625 -0.044,626 -0.04,627 -0.013,628 -0.022,629 -0.046,630 -0.186,631 -0.093,632 -0.145,633 -0.087,634 -0.188,635 -0.001,636 -0.092,637 -0.013,638 -0.082,639 0.004,640 -0.041,641 -0.229,642 0.04,643 -0.148,644 -0.036,645 -0.228,646 -0.019,647 -0.165,648 0.096,649 -0.06,650 0.118,651 -0.241,652 0.011,653 0.353,654 -0.119,655 0.2,656 -0.087,657 0.218,658 -0.034,659 2.429,660 5.45,661 0.667,662 27.355,663 1.025,664 1.119,665 3.861,666 14.905,667 0.724,668 3.401,669 3.714,670 3.951,671 4.159,672 4.369,673 4.304,674 4.394,675 4.466,676 4.466,677 4.394,678 7.068,679 0.688,680 426.35,681 3.401,682 4.934,683 5.771,684 6.637,685 7.493,686 8.361,687 9.223,688 10.093,689 10.96,690 11.831,691 6.8,697 1,698 1,702 1,709 7,714 5,716 12,731 1,732 1,737 2,738 44,739 15,740 2,741 29,743 46,744 18,745 12,746 5,747 7,752 3,753 3,754 2,768 13,769 5,772 3,775 1,778 3,782 1,789 17,790 5,792 9,793 3,797 3,803 1,804 3,823 3,839 1,855 3,856 1,857 1,860 2,862 27,869 5,873 1,875 2,885 2,886 6.8,889 1,892 2,893 14.5,894 7.886,895 5.972,896 2.549,898 2.273,899 1.318,900 0.964,901 6.87,902 9.429,903 3.664,904 4.22,905 4.682,906 5.143,907 5.614,908 5.554,909 5.726,910 5.798,911 5.996,912 5.976,913 0.875,914 42,915 10,917 4.279,918 8.039,919 18.66,921 15.171,924 2.539,925 68.556,928 1,929 200.109,930 126.646,931 11.919,932 78.297,933 75.892,935 32.22,936 94.426,937 354.298,938 11.919,939 5.67,940 12.447,941 66.334,942 29.85,943 17.19,945 232.328,946 129.044,947 200.109,948 106.345,949 75.892,950 110.517,952 200.109,953 25.145,954 50.747,956 12.447,957 88.228,958 83.967,959 32.22,960 200.109,961 87.811,962 204.943,965 200.109,966 60.312,967 78.252,969 154.189,970 200.109,971 87.811,972 204.943,973 0.584,974 0.339,975 0.174,976 0.098,977 18,978 9,979 0.109,980 5,982 1,983 3.874,984 220.065,986 18,987 114.382,989 1,993 20.271,994 9.15,995 5.077,997 82.14,998 12.014,1003 2.406,1006 492.862,1007 38,1010 -0.429,1013 35,1017 0.045,1020 45.08,1021 49.253,1022 0.35,1023 0.623,1024 0.732,1025 0.822,1026 0.867,1027 0.867,1028 4.898,1029 1.313,1030 5.759,1031 3.823,1032 4.394,1033 4.905,1034 3.72,1035 6.553,1036 4.241,1037 6.092,1038 1.061,1039 7.315,1040 2.969,1041 4.007,1042 4.758,1043 2.727,1044 7.473,1045 3.724,1046 7.394,1047 1,1048 8.973,1049 2.731,1050 5.974,1051 7.033,1052 5.791,1053 10.551,1054 5.686,1055 8.727,1056 1,1057 10.69,1058 2.275,1059 6.382,1060 7.673,1061 4.835,1062 12.335,1063 5.982,1064 10.091,1065 0.551,1066 12.448,1067 2.275,1068 7.838,1069 9.463,1070 8.075,1071 14.957,1072 7.429,1073 11.475,1074 -0.053,1075 14.235,1076 1.248,1077 8.616,1078 10.47,1079 6.991,1080 17.112,1081 8.114,1082 12.877,1083 -0.224,1084 16.044,1085 -0.129,1086 9.868,1087 12.065,1088 10.427,1089 19.59,1090 9.342,1091 3.18,1092 -0.503,1093 17.871,1094 -0.481,1095 10.827,1096 13.261,1097 9.222,1098 21.902,1099 10.221,1100 2.796,1101 11.288,1102 19.712,1103 -1.164,1104 11.998,1105 14.769,1106 12.808,1107 24.336,1108 11.355,1109 2.603,1110 8.575,1111 21.566,1112 4.227,1113 13.047,1114 16.069,1115 11.54,1116 26.713,1117 12.333,1118 2.355,1119 7.18,1120 23.429,1121 3.616,1122 14.19,1123 17.536,1124 15.204,1125 29.135,1126 13.429,1127 2.121,1128 7.108,1129 25.302,1130 3.287,1131 15.285,1132 18.895,1133 13.932,1134 31.538,1135 14.456,1136 2.045,1137 5.764,1138 27.182,1139 3.102,1140 16.42,1141 20.343,1142 17.608,1143 33.959,1144 15.539,1145 1.476,1146 5.673,1147 29.068,1148 2.695,1149 17.538,1150 21.735,1151 16.376,1152 36.373,1153 16.592,1154 8989,1155 17842,1156 18.898,1157 31.835,1158 43.379,1159 47.611,1160 45.041,1161 43.342,1162 43.001,1163 55.358,1164 18.187,1165 121.817,1166 39.558,1167 5.524,1168 6.464,1169 6.369,1170 5.236,1171 5.18,1172 7.227,1173 6.686,1174 18.31,1175 4.987,1176 15.19,1177 1.496,1178 1.642,1179 1.553,1180 1.495,1181 1.483,1182 1.909,1183 0.627,1184 4.201,1185 1.364,1186 4.026,1187 4.059,1188 4.098,1189 3.905,1190 7.815,1191 3.908,1192 3.891,1193 3.909,1194 4.057,1195 3.863,1196 7.427,1197 3.838,1198 3.777,1199 3.831,1200 3.79,1201 3.584,1202 6.999,1203 3.595,1204 3.486,1205 3.504,1206 3.625,1207 3.3,1208 4.94,1209 3.25,1210 3.401,1211 3.436,1212 3.609,1213 3.052,1214 4.909,1215 3.146,1216 3.111,1217 3.206,1218 3.226,1219 2.941,1220 4.334,1221 2.91,1222 2.965,1223 3.018,1224 3.157,1225 2.871,1226 4.306,1227 2.844,1228 2.854,1229 2.925,1230 2.906,1231 2.751,1232 4.246,1233 2.732,1234 0.156,1235 0.154,1236 0.236,1237 0.142,1238 0.11,1239 4.524,1240 0.146,1241 4.464,1242 0.116,1243 6.84,1244 0.389,1245 4.122,1246 0.103,1247 3.18,1248 4.227,1249 3.36,1250 11.288,1251 2.987,1252 1.933,1253 1.905,1254 2.023,1255 2.107,1256 1.302,1257 2.077,1258 1.873,1259 1.858,1260 1.939,1261 1.952,1262 1.083,1263 1.956,1264 1.712,1265 1.654,1266 1.883,1267 1.915,1268 1.04,1269 1.913,1270 1.347,1271 1.314,1272 1.513,1273 1.64,1274 0.825,1275 1.559,1276 1.19,1277 1.166,1278 1.508,1279 1.54,1280 0.779,1281 1.533,1282 1.153,1283 1.064,1284 1.261,1285 1.376,1286 0.362,1287 1.429,1288 0.908,1289 0.868,1290 1.181,1291 1.119,1292 0.218,1293 1.144,1294 0.886,1295 0.821,1296 1.119,1297 1.062,1298 0.167,1299 1.107,1300 4.078,1302 5.389,1304 6.897,1306 8.492,1308 10.133,1311 12.056,1315 2.35,1319 1.463,1321 3.651,1326 30.265,1327 84.16,1328 149.693,1329 175.809,1330 197.46,1331 208.215,1332 208.215,1333 63.777,1334 7.156,1335 69.37,1336 94.67,1337 18,1338 12.374,1339 4,1340 3.322,1341 47.285,1342 117,1343 120,1344 0.201,1345 198.002,1346 348.26,1347 474.884,1348 12472,1349 4.5,1350 19.389,1351 0.718,1352 0.616,1353 20.742,1354 16.636,1355 12.952,1356 0.447,1357 0.346,1358 8.326,1359 11.368,1360 8.018,1361 6.549,1362 13.984,1363 10.036,1364 11.749,1365 0.294,1366 0.197,1367 13.105,1368 7.867,1369 9.536,1370 0.187,1371 0.115,1372 10.881,1373 5.84,1374 7.525,1375 0.119,1376 0.066,1377 8.683,1378 4.127,1379 6.239,1380 0.08,1381 0.039,1382 7.553,1383 3.073,1384 0.322,1385 92.232,1386 0.23,1387 26.318,1388 0.533,1389 138,1390 481.409,1391 204.541,1392 538.575,1393 690.15,1394 496,1395 160,1396 432.418,1397 214.89,1398 461.212,1399 669.06,1400 432,1401 4.829}
{0 CHEMBL1581705,1 1.486,2 8.069,3 3.673,4 13.492,5 106.027,6 7.829,7 0.353,8 4.066,9 4.144,10 3.692,11 3.614,12 5.145,13 3.622,14 4.651,15 4.773,16 4.141,17 4.077,18 5.712,19 4.074,20 4.863,21 5.002,22 4.171,23 4.277,24 5.871,25 4.22,26 5.081,27 5.31,28 4.183,29 4.306,30 6.027,31 4.223,32 4.958,33 5.142,34 4.145,35 4.244,36 6.008,37 4.188,38 4.93,39 5.097,40 4.176,41 4.244,42 5.954,43 4.192,44 5.006,45 5.198,46 4.15,47 4.178,48 6.037,49 4.123,50 4.908,51 5.082,52 3.952,53 3.984,54 5.964,55 3.927,56 0.077,57 0.659,58 9.617,59 5.05,60 8.201,61 5.671,62 0.494,63 1.146,64 20.343,65 8.822,66 28.824,67 10.2,68 0.272,69 1.485,70 23.954,71 11.281,72 29.102,73 13.65,74 0.554,75 1.781,76 36.473,77 14.215,78 50.722,79 19.093,80 0.554,81 1.594,82 30.098,83 11.749,84 55.412,85 14.548,86 0.337,87 1.528,88 27.857,89 12.056,90 35.806,91 14.824,92 0.666,93 1.564,94 32.949,95 12.914,96 54.798,97 16.232,98 0.857,99 1.363,100 30.294,101 11.173,102 61.461,103 13.262,104 10,105 53,106 0.249,107 0.59,108 0.726,109 0.799,110 0.832,111 0.845,112 3.41,113 0.866,114 -3.98,115 -3.93,116 -3.73,120 46,121 2,122 2,123 1,124 1,127 2,137 1,139 1,143 5,144 2,145 5,157 1,174 11,176 2,177 8,182 2,185 17,189 10,194 2,197 13,200 1,201 9,204 1,206 5,209 14,213 1,214 8,219 3,222 14,227 9,232 2,235 13,239 1,240 10,243 2,247 7,251 2,252 9,255 2,260 2,263 2,264 5,274 1307,275 19.635,276 19.635,277 19.635,278 19.635,279 19.635,280 17.754,281 31.079,282 11.04,283 20.009,284 16.851,285 16.851,286 16.851,287 16.851,288 16.851,289 13.784,290 44.855,291 5.29,292 17.472,293 4.158,294 2.116,295 1.302,296 0.87,297 0.67,298 0.59,299 4.132,306 1,307 1,308 536,309 2.915,312 95.333,313 183.566,316 154.816,317 150.937,320 1.12,321 31.345,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 63.5,333 234,334 4.691,335 3.802,336 7.135,337 4.419,338 3.431,339 4.265,340 1.392,341 12.479,342 3.392,343 4.344,344 3.367,345 6.75,346 4.158,347 3.166,348 3.931,349 1.392,350 11.102,351 3.144,352 4.289,353 3.315,354 6.289,355 3.895,356 2.942,357 3.795,358 1.36,359 9.535,360 2.8,361 4.048,362 3.204,363 6.196,364 3.775,365 2.821,366 3.224,367 0.986,368 9.228,369 2.68,370 3.721,371 2.766,372 5.955,373 3.354,374 2.385,375 3.008,376 0.765,377 8.207,378 2.305,379 3.65,380 2.674,381 5.678,382 3.278,383 2.317,384 2.899,385 0.532,386 7.531,387 2.216,388 3.294,389 2.373,390 5.121,391 2.877,392 1.915,393 2.485,394 0.532,395 5.863,396 1.835,397 3.009,398 2.062,399 4.765,400 2.64,401 1.681,402 2.147,404 5.028,405 1.606,406 2.886,407 1.991,408 4.405,409 2.477,410 1.534,411 2.024,413 4.234,414 1.439,415 2.436,416 1.871,417 4.298,418 2.231,419 1.277,420 1.421,422 3.667,423 1.211,424 2.205,425 1.724,426 3.599,427 2.101,428 1.106,429 1.186,431 2.466,432 1.1,433 2.169,434 1.568,435 3.473,436 2.022,437 1.039,438 1.14,440 2.399,441 1.017,442 1.729,443 0.968,444 3.446,445 1.476,446 0.536,447 0.615,449 1.513,450 0.499,451 1.613,452 0.78,453 3.336,454 1.337,455 0.398,456 0.462,458 1.023,459 0.37,460 1.226,461 0.366,462 3.168,463 0.862,464 -0.093,465 -0.11,467 -0.282,468 -0.089,469 13.567,470 0.468,471 0.947,472 0.033,473 37.25,474 1.284,475 17.5,476 0.603,477 19.75,478 0.681,479 28.215,480 0.973,481 30.833,482 0.617,483 27.112,484 0.935,485 6.893,486 0.238,487 7.09,488 0.244,489 0.098,490 0.037,491 0.405,496 0.877,497 1.135,498 0.711,499 1.054,500 0.925,501 0.886,502 0.972,503 0.877,504 0.758,505 0.789,506 0.734,507 0.739,508 0.794,509 1.265,510 1.074,511 1.227,512 0.961,513 1.212,514 0.618,515 0.921,516 0.764,517 0.882,518 0.768,519 0.86,520 0.997,521 0.939,522 1.038,523 0.928,524 1.53,525 0.968,526 0.873,527 1.144,528 0.968,529 1.156,530 1.039,531 1.093,532 0.885,533 1.062,534 0.909,535 1.091,536 0.864,537 1.024,538 1.254,539 1.17,540 1.216,541 1.214,542 1.022,543 1.214,544 7,545 0.04,546 3.556,547 2.826,548 2.639,549 1.191,550 1.214,551 0.727,552 0.444,553 0.23,554 10050,555 25658,556 2.224,557 42,558 7,559 5,560 4,562 1,563 2,564 2,567 1.73,568 2.084,569 3.009,570 -0.371,572 1,575 74.303,576 1.486,577 3.527,578 4.341,579 4.774,580 4.974,581 5.054,582 2.396,583 4.349,584 4.831,585 3.191,586 1295.44,587 8.473,588 16470.7,590 1,592 1,593 282.193,594 1.544,595 4.789,596 0.206,597 0.005,598 0.067,599 0.053,600 0.05,601 0.023,602 0.023,603 0.015,604 0.012,605 0.013,606 0.468,607 0.5,608 0.88,609 0.506,610 141.499,611 -0.057,612 -0.072,613 0.07,614 -0.029,615 -0.111,616 0.034,617 0.045,618 0.153,619 0.129,620 0.212,621 0.061,622 0.192,623 -0.096,624 -0.213,625 -0.24,626 -0.224,627 -0.137,628 -0.256,629 0.075,630 0.069,631 0.208,632 0.107,633 0.128,634 0.17,635 -0.119,636 0.108,637 -0.102,638 0.04,639 -0.186,640 -0.01,641 -0.057,642 -0.135,643 -0.063,644 -0.16,645 -0.046,646 -0.119,647 0.112,648 -0.104,649 0.081,650 -0.107,651 0.129,652 -0.036,653 0.053,654 -0.228,655 -0.187,656 -0.251,657 0.027,658 -0.271,659 1.488,660 5.071,661 0.897,662 21.938,663 1.011,664 1.114,665 2.748,666 7.55,667 0.678,668 3.555,669 3.989,670 4.331,671 4.727,672 5.024,673 5.278,674 5.541,675 5.808,676 5.976,677 6.111,678 5.353,679 0.657,680 391.45,681 3.555,682 5.165,683 6.066,684 7.009,685 7.927,686 8.874,687 9.799,688 10.748,689 11.678,690 12.627,691 2,700 1,709 5,714 7,716 12,735 4,738 50,739 14,740 2,741 34,743 55,744 23,745 12,746 7,747 5,748 3,752 6,753 13,759 2,760 1,762 1,763 2,764 1,766 2,768 15,769 8,770 1,772 2,781 1,782 3,786 1,789 21,790 6,791 1,792 6,797 1,803 0.333,804 5,822 2,823 4,826 2,827 2,834 1,845 1,846 1,853 1,855 2,859 2,862 29,868 1,869 4,872 4,874 1,876 1,886 10,888 1,891 4,893 13.917,894 9.817,895 5.889,896 2.99,898 3.268,899 1.374,900 0.996,901 3.673,902 12.004,903 3.761,904 4.419,905 5.014,906 5.655,907 6.244,908 6.677,909 7.167,910 7.66,911 8.042,912 8.359,913 1,914 53,915 10.791,917 4.906,918 7.647,919 20.846,921 18.497,924 2.147,925 62.25,927 1,928 1,929 235.422,930 119.445,931 16.786,933 86.683,936 119.445,937 322.105,938 16.786,939 17.65,940 18.37,941 47.381,942 45.44,943 94.072,944 47.084,945 188.338,947 235.422,948 136.231,949 86.683,952 211.88,953 110.225,956 52.805,957 83.425,960 235.422,961 103.468,962 119.445,965 235.422,966 54.413,967 65.032,969 103.468,970 235.422,971 103.468,972 119.445,973 0.609,974 0.357,975 0.208,976 0.113,977 32,978 13,979 0.018,980 1,981 4,982 1.308,983 3.903,984 300.771,985 0.308,986 26,987 136.881,993 17.515,994 6.081,995 2.721,997 103.468,998 9.91,1003 5.786,1005 42.683,1006 458.336,1007 42,1016 4.946,1017 2.244,1020 50.574,1021 55.697,1022 0.263,1023 0.625,1024 0.769,1025 0.846,1026 0.881,1027 0.895,1028 5.088,1029 1.681,1030 6.116,1031 5.863,1032 4.673,1033 5.106,1034 2.758,1035 7.04,1036 4.607,1037 6.334,1038 1.534,1039 7.742,1040 5.028,1041 4.511,1042 5.085,1043 1.06,1044 8.222,1045 4.428,1046 7.692,1047 1.277,1048 9.469,1049 4.234,1050 6.415,1051 7.322,1052 3.124,1053 11.317,1054 6.305,1055 9.079,1056 1.106,1057 11.254,1058 3.667,1059 7.031,1060 8.044,1061 1.679,1062 13.269,1063 6.91,1064 10.494,1065 1.039,1066 13.075,1067 2.466,1068 8.459,1069 9.813,1070 3.661,1071 15.934,1072 8.32,1073 11.927,1074 0.536,1075 14.92,1076 2.399,1077 9.403,1078 10.872,1079 2.248,1080 18.196,1081 9.256,1082 13.375,1083 0.398,1084 16.782,1085 1.513,1086 10.666,1087 12.451,1088 4.264,1089 20.732,1090 10.508,1091 3.431,1092 -0.093,1093 18.657,1094 1.023,1095 11.752,1096 13.681,1097 2.825,1098 23.125,1099 11.587,1100 3.166,1101 12.479,1102 20.542,1103 -0.282,1104 12.962,1105 15.175,1106 4.894,1107 25.625,1108 12.788,1109 2.942,1110 11.102,1111 22.436,1112 4.265,1113 14.109,1114 16.494,1115 3.415,1116 28.078,1117 13.929,1118 2.821,1119 9.535,1120 24.336,1121 3.931,1122 15.305,1123 17.949,1124 5.536,1125 30.572,1126 15.119,1127 2.385,1128 9.228,1129 26.243,1130 3.795,1131 16.481,1132 19.316,1133 4.015,1134 33.053,1135 16.289,1136 2.317,1137 8.207,1138 28.155,1139 3.224,1140 17.677,1141 20.754,1142 6.184,1143 35.551,1144 17.479,1145 1.915,1146 7.531,1147 30.072,1148 3.008,1149 18.869,1150 22.149,1151 4.622,1152 38.046,1153 18.664,1154 9067,1155 14649,1156 23.175,1157 33.892,1158 53.578,1159 54.688,1160 53.701,1161 53.071,1162 53.095,1163 65.204,1164 13.913,1165 168.551,1166 51.226,1167 5.644,1168 5.802,1169 6.644,1170 5.473,1171 5.431,1172 7.265,1173 2.783,1174 20.062,1175 5.392,1176 11.651,1177 1.576,1178 1.608,1179 1.579,1180 1.561,1181 1.562,1182 1.918,1183 0.409,1184 4.957,1185 1.507,1186 4.109,1187 4.127,1188 4.071,1189 4.034,1190 6.466,1191 4.04,1192 3.9,1193 3.909,1194 3.859,1195 3.793,1196 5.042,1197 3.803,1198 3.835,1199 3.858,1200 3.762,1201 3.734,1202 4.983,1203 3.735,1204 3.5,1205 3.527,1206 3.406,1207 3.334,1208 4.672,1209 3.345,1210 3.274,1211 3.308,1212 3.181,1213 3.033,1214 4.321,1215 3.063,1216 3.221,1217 3.257,1218 3.107,1219 3.002,1220 4.24,1221 3.025,1222 3.066,1223 3.129,1224 2.939,1225 2.878,1226 4.005,1227 2.885,1228 2.915,1229 3.009,1230 2.776,1231 2.757,1232 3.965,1233 2.752,1234 0.138,1235 0.112,1236 0.21,1237 0.13,1238 0.101,1239 4.691,1240 0.125,1241 3.802,1242 0.041,1243 7.135,1244 0.367,1245 4.419,1246 0.1,1247 3.431,1248 4.265,1249 1.392,1250 12.479,1251 3.392,1252 2.041,1253 2.022,1254 2.128,1255 2.124,1256 1.438,1257 2.126,1258 1.831,1259 1.804,1260 1.978,1261 1.934,1262 1.233,1263 1.949,1264 1.771,1265 1.752,1266 1.862,1267 1.865,1268 0.999,1269 1.865,1270 1.376,1271 1.341,1272 1.563,1273 1.541,1274 0.731,1275 1.546,1276 1.171,1277 1.137,1278 1.44,1279 1.52,1280 0.585,1281 1.486,1282 1.157,1283 1.125,1284 1.438,1285 1.516,1286 0.579,1287 1.484,1288 1.072,1289 1.014,1290 1.417,1291 1.313,1292 0.576,1293 1.317,1294 0.978,1295 0.935,1296 1.343,1297 1.239,1298 0.472,1299 1.308,1300 4.234,1302 5.638,1303 3.045,1304 7.232,1305 5.283,1306 8.922,1307 7.273,1308 10.668,1310 4.32,1314 11.071,1315 1.877,1318 22.294,1320 -0.155,1322 -0.042,1326 32.863,1327 74.303,1328 176.37,1329 217.073,1330 238.683,1331 248.683,1332 252.683,1333 43.59,1334 8.737,1335 69.51,1336 69.51,1337 34,1338 13.12,1339 3.907,1340 3.17,1341 35.587,1342 89,1343 91,1344 0.191,1345 190.39,1346 344.33,1347 456.312,1348 79142,1350 19.75,1351 0.681,1352 0.563,1353 19.75,1354 16.32,1355 13.983,1356 0.411,1357 0.289,1358 9.651,1359 13.354,1360 9.359,1361 7.684,1362 13.983,1363 9.815,1364 14.071,1365 0.265,1366 0.165,1367 14.071,1368 8.747,1369 11.912,1370 0.159,1371 0.08,1372 11.912,1373 6.021,1374 11.345,1375 0.101,1376 0.043,1377 11.345,1378 4.774,1379 9.122,1380 0.06,1381 0.023,1382 9.122,1383 3.441,1384 0.283,1385 88.517,1386 0.208,1387 26.421,1388 0.579,1389 174,1390 500.737,1391 192.771,1392 467.202,1393 653.06,1394 442,1395 215,1396 492.665,1397 234.163,1398 497.253,1399 745.31,1400 465,1401 4.143}
{0 CHEMBL1581845,1 1.486,2 10.333,3 2.408,4 5.799,5 100.915,6 7.389,7 0.2,8 4.024,9 4.116,10 3.582,11 3.539,12 5.108,13 3.533,14 4.607,15 4.743,16 4.001,17 3.95,18 5.707,19 3.935,20 4.905,21 5.069,22 4.062,23 4.123,24 5.993,25 4.063,26 5.032,27 5.292,28 3.956,29 4.034,30 5.996,31 3.95,32 4.738,33 4.908,34 3.834,35 3.866,36 5.961,37 3.833,38 4.68,39 4.89,40 3.779,41 3.854,42 5.701,43 3.794,44 4.642,45 4.812,46 3.805,47 3.811,48 5.863,49 3.765,50 4.685,51 4.886,52 3.601,53 3.698,54 5.807,55 3.64,56 0.063,57 0.662,58 10.469,59 5.111,60 12.373,61 6.142,62 0.434,63 1.104,64 21.089,65 8.519,66 40.028,67 10.573,68 0.649,69 1.454,70 29.457,71 11.087,72 63.502,73 14.25,74 0.654,75 1.517,76 37.741,77 12.3,78 72.362,79 17.235,80 0.761,81 1.176,82 26.392,83 8.28,84 88.402,85 10.3,86 0.416,87 1.119,88 24.803,89 8.939,90 50.833,91 11.791,92 0.482,93 1.061,94 23.141,95 8.609,96 68.526,97 10.937,98 0.709,99 1.032,100 26.384,101 8.137,102 85.653,103 10.23,104 17,105 44,106 0.252,107 0.631,108 0.8,109 0.839,110 0.849,111 0.849,112 3.34,113 0.912,114 -3.22,115 -3.21,116 -3.08,120 42,121 2,122 2,124 1,126 1,128 2,129 1,136 2,139 2,143 5,144 1,157 1,159 1,174 10,176 2,177 6,182 2,185 14,188 4,189 7,194 1,197 4,200 1,201 8,204 1,206 3,209 5,213 2,214 7,222 3,226 1,227 7,232 1,235 5,240 12,243 2,247 1,252 10,255 1,260 2,264 4,271 5,274 1059,275 17.842,276 17.842,277 17.842,278 17.842,279 17.842,280 16.324,281 22.433,282 10.359,283 18.127,284 14.869,285 14.869,286 14.869,287 14.869,288 14.869,289 12.548,290 27.493,291 5.002,292 15.363,293 4.158,294 1.917,295 0.917,296 0.685,297 0.63,298 0.63,299 4.035,305 1,306 1,307 1,308 606,309 2.828,313 306.516,317 115.24,320 1.679,321 35.032,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 59.5,333 279,334 4.386,335 3.775,336 6.782,337 4.26,338 3.266,339 3.722,340 1.902,341 11.224,342 3.248,343 4.247,344 3.496,345 6.374,346 4.027,347 3.073,348 3.553,349 1.674,350 9.869,351 2.928,352 4.069,353 3.416,354 6.11,355 3.782,356 2.795,357 3.417,358 0.986,359 8.953,360 2.75,361 3.728,362 2.935,363 5.805,364 3.437,365 2.474,366 2.86,367 0.869,368 7.924,369 2.37,370 3.562,371 2.771,372 5.283,373 3.227,374 2.253,375 2.675,376 0.765,377 6.686,378 2.185,379 3.313,380 2.546,381 4.851,382 2.888,383 1.939,384 2.426,385 0.22,386 5.431,387 1.83,388 3.093,389 2.258,390 4.659,391 2.777,392 1.788,393 2.242,395 4.976,396 1.767,397 2.974,398 2.079,399 4.424,400 2.621,401 1.693,402 1.967,404 4.401,405 1.554,406 2.5,407 1.765,408 3.822,409 2.14,410 1.17,411 1.5,413 2.785,414 1.132,415 2.466,416 1.423,417 3.509,418 2,419 1.013,420 1.456,422 2.651,423 1,424 2.245,425 1.072,426 3.247,427 1.961,428 1,429 1.159,431 2.136,432 0.943,433 1.425,434 1,435 3.24,436 1.123,437 0.189,438 0.211,440 0.505,441 0.174,442 1.229,443 0.484,444 2.862,445 0.777,446 -0.182,447 -0.229,449 -0.513,450 -0.17,451 0.91,452 0.122,453 2.792,454 0.732,455 -0.25,456 -0.267,458 -0.751,459 -0.246,460 0.733,461 0.098,462 2.725,463 0.508,464 -0.433,465 -0.443,467 -1.221,468 -0.402,469 12.567,470 0.465,471 0.864,472 0.032,473 29.5,474 1.093,475 12,476 0.444,477 17.5,478 0.648,479 26.257,480 0.972,481 30.033,482 0.601,483 22.588,484 0.837,485 5.785,486 0.214,487 7.108,488 0.263,489 0.133,490 0.04,491 0.318,496 0.824,497 1.239,498 0.777,499 1.158,500 0.778,501 0.992,502 0.932,503 1.117,504 0.845,505 1.029,506 0.619,507 0.938,508 0.947,509 1.256,510 1.138,511 1.254,512 0.848,513 1.238,514 0.877,515 0.882,516 0.739,517 0.831,518 0.767,519 0.769,520 1.547,521 0.958,522 1.305,523 0.946,524 1.764,525 1.034,526 0.987,527 0.914,528 0.888,529 0.92,530 1.067,531 0.886,532 1.029,533 1.23,534 1.012,535 1.219,536 1.009,537 1.133,538 1.644,539 0.896,540 1.245,541 0.88,542 1.826,543 0.96,544 7.5,545 0.157,546 2.889,547 2.25,548 1.733,549 0.847,550 0.749,551 0.427,552 0.348,553 0.184,554 8920,555 22733,556 2.088,557 46,558 6,559 11,560 1,562 1,563 2,564 2,567 1.701,568 1.94,569 3.354,570 -0.346,571 1,572 1,575 74.303,576 1.486,577 3.727,578 4.726,579 4.959,580 5.014,581 5.014,582 2.769,583 4.282,584 4.728,585 3.529,586 1238.63,587 8.209,588 15761.2,590 1,592 1,593 282.193,594 1.596,595 4.673,596 0.25,597 0.009,598 0.066,599 0.052,600 0.044,601 0.025,602 0.022,603 0.013,604 0.013,605 0.008,606 0.503,607 0.5,608 1,609 0.584,610 133.349,611 -0.048,612 -0.085,613 0.054,614 -0.04,615 -0.098,616 0.017,617 0.084,618 -0.044,619 0.076,620 0.015,621 0.084,622 0.037,623 0.064,624 -0.199,625 -0.196,626 -0.254,627 -0.021,628 -0.279,629 0.055,630 0.044,631 0.283,632 0.108,633 0.086,634 0.22,635 -0.174,636 0.094,637 -0.285,638 -0.014,639 -0.215,640 -0.138,641 -0.041,642 0.08,643 0.086,644 0.064,645 -0.06,646 0.098,647 0.08,648 -0.238,649 -0.04,650 -0.218,651 0.17,652 -0.167,653 -0.224,654 0.043,655 -0.184,656 0.048,657 -0.197,658 -0.042,659 2.162,660 5.325,661 0.815,662 23.654,663 1.009,664 1.122,665 1.994,666 3.975,667 0.653,668 3.434,669 3.807,670 4.025,671 4.331,672 4.564,673 4.663,674 4.771,675 4.942,676 5.1,677 5.136,678 6.307,679 0.628,680 369.45,681 3.434,682 5.004,683 5.849,684 6.751,685 7.61,686 8.514,687 9.38,688 10.284,689 11.153,690 12.058,691 2,700 1,709 5,714 1,716 6,738 50,739 10,740 1,741 30,743 53,744 21,745 6,746 1,747 5,748 6,752 4,753 5,759 2,760 1,762 1,763 4,766 4,768 12,769 9,772 4,778 1,780 2,781 1,782 4,785 1,786 1,789 23,790 6,791 1,792 6,797 1,803 0.75,804 5,823 4,827 1,834 1,841 1,845 4,853 1,854 2,855 3,859 2,862 27,868 1,869 3,872 3,874 3,876 1,886 10,888 1,889 1,890 2,891 1,893 13.917,894 9.4,895 5.667,896 2.935,898 2.144,899 1.28,900 0.931,901 4.829,902 9.814,903 3.638,904 4.167,905 4.593,906 5.082,907 5.494,908 5.685,909 5.937,910 6.249,911 6.571,912 6.802,913 0.857,914 43,915 10.084,917 4.458,918 7.818,919 19.146,921 16.275,924 2.318,925 62.583,928 1,929 258.964,930 109.896,931 16.786,933 100.828,936 109.896,937 359.792,938 16.786,939 17.65,940 9.661,941 66.693,942 102.533,943 30.971,944 11.771,945 247.193,947 258.964,948 126.681,949 100.828,952 235.422,953 102.37,954 22,955 0.36,956 44.097,957 60.515,958 21.709,960 258.964,961 117.613,962 109.896,965 259.324,966 25.552,967 83.984,969 117.613,970 258.964,971 117.613,972 109.896,973 0.596,974 0.329,975 0.182,976 0.099,977 23,978 10,979 0.038,980 2,981 1,982 1.091,983 3.847,984 236.857,985 0.091,986 22,987 122.382,993 18.268,994 7.137,995 4.095,997 117.613,998 9.642,1003 0.913,1005 42.683,1006 486.473,1007 37,1013 12.325,1015 3.331,1016 4.457,1017 0.656,1020 50.458,1021 56.113,1022 0.263,1023 0.66,1024 0.837,1025 0.879,1026 0.888,1027 0.888,1028 4.931,1029 1.693,1030 5.883,1031 4.976,1032 4.489,1033 4.852,1034 2.872,1035 6.727,1036 4.424,1037 6.138,1038 1.17,1039 7.465,1040 4.401,1041 4.29,1042 4.649,1043 1.391,1044 7.825,1045 4.219,1046 7.454,1047 1.013,1048 9.147,1049 2.785,1050 6.168,1051 6.877,1052 3.664,1053 10.824,1054 6.053,1055 8.792,1056 1,1057 10.888,1058 2.651,1059 6.711,1060 7.362,1061 2.893,1062 12.678,1063 6.597,1064 10.157,1065 0.189,1066 12.665,1067 2.136,1068 8.134,1069 9.145,1070 4.67,1071 15.253,1072 7.985,1073 11.538,1074 -0.182,1075 14.467,1076 0.505,1077 9.009,1078 9.964,1079 4.317,1080 17.414,1081 8.86,1082 12.933,1083 -0.25,1084 16.286,1085 -0.513,1086 10.259,1087 11.541,1088 5.773,1089 19.854,1090 10.086,1091 3.266,1092 -0.433,1093 18.117,1094 -0.751,1095 11.287,1096 12.544,1097 5.681,1098 22.145,1099 11.11,1100 3.073,1101 11.224,1102 19.959,1103 -1.221,1104 12.472,1105 14.009,1106 6.925,1107 24.544,1108 12.278,1109 2.795,1110 9.869,1111 21.809,1112 3.722,1113 13.57,1114 15.12,1115 7.011,1116 26.891,1117 13.371,1118 2.474,1119 8.953,1120 23.666,1121 3.553,1122 14.733,1123 16.52,1124 8.107,1125 29.282,1126 14.522,1127 2.253,1128 7.924,1129 25.528,1130 3.417,1131 15.863,1132 17.697,1133 8.322,1134 31.657,1135 15.646,1136 1.939,1137 6.686,1138 27.395,1139 2.86,1140 17.021,1141 19.058,1142 9.31,1143 34.05,1144 16.796,1145 1.788,1146 5.431,1147 29.266,1148 2.675,1149 18.167,1150 20.276,1151 9.622,1152 36.439,1153 17.937,1154 8461,1155 13661,1156 19.879,1157 32.654,1158 46.418,1159 47.256,1160 45.813,1161 45.288,1162 45.303,1163 54.379,1164 12.832,1165 135.079,1166 43.761,1167 5.386,1168 5.775,1169 6.584,1170 5.357,1171 5.266,1172 6.722,1173 3.576,1174 18.02,1175 5.248,1176 13.297,1177 1.547,1178 1.575,1179 1.527,1180 1.51,1181 1.51,1182 1.813,1183 0.428,1184 4.503,1185 1.459,1186 3.997,1187 4.021,1188 3.936,1189 3.882,1190 7.433,1191 3.887,1192 3.905,1193 3.936,1194 3.831,1195 3.824,1196 6.468,1197 3.82,1198 3.8,1199 3.821,1200 3.725,1201 3.662,1202 4.909,1203 3.676,1204 3.446,1205 3.487,1206 3.359,1207 3.263,1208 4.71,1209 3.274,1210 3.325,1211 3.36,1212 3.2,1213 3.148,1214 4.604,1215 3.157,1216 3.102,1217 3.139,1218 3.009,1219 2.915,1220 4.299,1221 2.919,1222 3.004,1223 3.065,1224 2.85,1225 2.821,1226 4.176,1227 2.817,1228 2.923,1229 3.009,1230 2.839,1231 2.735,1232 4.07,1233 2.715,1234 0.146,1235 0.126,1236 0.226,1237 0.142,1238 0.109,1239 4.386,1240 0.124,1241 3.775,1242 0.063,1243 6.782,1244 0.374,1245 4.26,1246 0.108,1247 3.266,1248 3.722,1249 1.902,1250 11.224,1251 3.248,1252 1.924,1253 1.898,1254 2.075,1255 2.064,1256 1.382,1257 2.06,1258 1.902,1259 1.87,1260 2.031,1261 2.014,1262 1.212,1263 2.021,1264 1.751,1265 1.731,1266 1.889,1267 1.911,1268 1.087,1269 1.909,1270 1.395,1271 1.348,1272 1.62,1273 1.607,1274 0.721,1275 1.608,1276 1.274,1277 1.239,1278 1.48,1279 1.499,1280 0.639,1281 1.491,1282 1.046,1283 1.001,1284 1.417,1285 1.285,1286 0.559,1287 1.308,1288 0.989,1289 0.924,1290 1.317,1291 1.239,1292 0.474,1293 1.282,1294 0.934,1295 0.821,1296 1.265,1297 1.226,1298 0.469,1299 1.242,1300 4.111,1302 5.468,1304 7.013,1306 8.646,1308 10.323,1310 4.114,1314 9.962,1315 1.538,1318 17.158,1320 -1.407,1322 -0.104,1326 31.39,1327 74.303,1328 186.328,1329 236.319,1330 247.928,1331 250.683,1332 250.683,1333 54.153,1334 7.67,1335 77.35,1336 77.35,1337 24,1338 12.584,1339 3.459,1340 3,1341 40.196,1342 103,1343 98,1344 0.192,1345 188.92,1346 347.99,1347 452.724,1348 22374,1350 19.018,1351 0.704,1352 0.571,1353 19.018,1354 15.422,1355 12.894,1356 0.43,1357 0.304,1358 8.973,1359 12.343,1360 8.708,1361 7.187,1362 12.894,1363 9.115,1364 12.715,1365 0.289,1366 0.18,1367 12.715,1368 7.929,1369 9.696,1370 0.176,1371 0.088,1372 9.696,1373 4.837,1374 8.767,1375 0.117,1376 0.049,1377 8.767,1378 3.648,1379 6.812,1380 0.072,1381 0.024,1382 6.812,1383 2.32,1384 0.3,1385 81.467,1386 0.224,1387 25.793,1388 0.533,1389 148,1390 452.737,1391 166.661,1392 420.635,1393 566.04,1394 394,1395 173,1396 405.847,1397 192.107,1398 406.419,1399 602.83,1400 380,1401 5.177}
{0 CHEMBL1582074,1 1.519,2 9.645,3 4.571,4 20.891,5 125.354,6 7.4,7 0.5,8 4.161,9 4.27,10 3.766,11 3.743,12 5.197,13 3.69,14 4.712,15 4.879,16 4.127,17 4.129,18 5.689,19 4.051,20 4.925,21 5.118,22 4.183,23 4.276,24 5.859,25 4.167,26 5.015,27 5.211,28 4.281,29 4.353,30 5.967,31 4.242,32 5.106,33 5.305,34 4.417,35 4.467,36 6.055,37 4.36,38 5.249,39 5.444,40 4.497,41 4.575,42 6.191,43 4.445,44 5.305,45 5.515,46 4.371,47 4.552,48 6.238,49 4.405,50 5.292,51 5.537,52 4.063,53 4.413,54 6.234,55 4.254,56 0.027,57 0.808,58 13.055,59 5.97,60 8.813,61 7.506,62 0.291,63 1.349,64 26.16,65 9.832,66 27.012,67 12.446,68 0.304,69 1.652,70 35.123,71 13.092,72 35.111,73 16.401,74 0.374,75 1.827,76 39.379,77 14.145,78 39.437,79 17.927,80 0.251,81 1.981,82 39.296,83 15.375,84 40.063,85 19.692,86 0.551,87 2.298,88 52.849,89 18.489,90 51.022,91 22.286,92 0.601,93 2.316,94 55.262,95 19.802,96 57.748,97 24.401,98 0.593,99 2.146,100 51.282,101 18.65,102 81.423,103 24.213,104 14,105 46,106 0.247,107 0.564,108 0.739,109 0.82,110 0.846,111 0.846,112 3.473,113 1.011,114 -4.42,115 -4.35,116 -4.1,120 42.4,121 1,122 1,125 1,126 4,128 1,143 10,144 3,145 1,153 1,154 1,159 1,174 12,177 5,180 1,182 3,185 15,188 1,189 6,194 3,197 10,200 1,201 9,204 1,206 4,209 7,214 7,219 3,222 10,226 1,227 7,230 1,232 2,235 13,239 1,240 8,243 1,245 1,247 14,251 1,252 8,260 14,263 1,264 6,271 12,274 1715,275 21.568,276 21.568,277 21.568,278 21.568,279 21.568,280 19.429,281 25.784,282 13.004,283 22.211,284 16.702,285 16.702,286 16.702,287 16.702,288 16.702,289 13.389,290 33.919,291 6.03,292 17.653,293 4.364,294 2.406,295 1.328,296 0.833,297 0.67,298 0.67,299 4.169,306 1,307 1,308 641,309 3.536,312 90.382,313 313.765,320 1.38,321 23.881,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66,333 299,334 4.525,335 3.666,336 6.981,337 4.234,338 3.276,339 4.116,340 1.277,341 11.909,342 3.144,343 4.208,344 3.546,345 6.202,346 3.835,347 2.866,348 3.798,349 1.058,350 9.231,351 2.809,352 4.093,353 2.98,354 5.993,355 3.672,356 2.704,357 3.652,358 0.86,359 8.466,360 2.577,361 3.638,362 2.818,363 5.702,364 3.4,365 2.482,366 2.794,367 0.86,368 7.62,369 2.267,370 3.351,371 2.431,372 5.098,373 3,374 2.059,375 2.6,376 0.494,377 6.012,378 1.926,379 3.184,380 2.22,381 4.769,382 2.822,383 1.859,384 2.346,386 5.012,387 1.79,388 2.938,389 2.14,390 4.397,391 2.604,392 1.647,393 2.09,395 4.055,396 1.557,397 2.917,398 1.894,399 4.098,400 2.461,401 1.497,402 2.037,404 3.483,405 1.437,406 2.667,407 1.634,408 3.739,409 2.241,410 1.31,411 1.725,413 3.055,414 1.217,415 2.508,416 1.374,417 3.601,418 2.168,419 1.243,420 1.5,422 2.919,423 1.132,424 2.5,425 1.323,426 3.433,427 2,428 1,429 1.456,431 2.361,432 1,433 2.382,434 1.256,435 3.285,436 1.952,437 1,438 1.344,440 2.136,441 0.946,442 2,443 1,444 3.247,445 1.925,446 0.953,447 1,449 2.136,450 0.903,451 1.766,452 0.94,453 3.247,454 1.486,455 0.558,456 0.656,458 1.153,459 0.51,460 1.531,461 0.638,462 2.73,463 1.345,464 0.405,465 0.445,467 0.594,468 0.378,469 15.133,470 0.488,471 0.551,472 0.018,473 38,474 1.226,475 18.5,476 0.597,477 19.5,478 0.629,479 30.289,480 0.977,481 33.467,482 0.567,483 29.577,484 0.954,485 7.529,486 0.243,487 7.678,488 0.248,489 0.088,491 0.291,496 0.807,497 1.225,498 0.783,499 1.02,500 0.628,501 0.97,502 1.224,503 1.004,504 0.909,505 0.87,506 0.762,507 0.884,508 1.016,509 1.117,510 1.112,511 1.072,512 0.849,513 0.987,514 0.922,515 1.132,516 1.109,517 1.135,518 1.027,519 1.027,520 0.941,521 1.07,522 0.865,523 0.937,524 0.978,525 0.936,526 1.163,527 1.064,528 1.347,529 1.181,530 1.04,531 1.054,532 1.071,533 1.115,534 1.311,535 1.248,536 1.032,537 1.142,538 1.143,539 0.992,540 1.081,541 1.052,542 1.547,543 1.075,544 4.5,545 0.062,546 2.889,547 2.319,548 1.729,549 1.174,550 0.857,551 0.692,552 0.383,553 0.146,554 11265,555 28003,556 2.104,557 47.5,558 3,559 22,562 1,563 2,567 1.748,568 2,569 3.205,570 -0.393,575 89.619,576 1.519,577 3.477,578 4.555,579 5.05,580 5.213,581 5.213,582 2.642,583 4.632,584 4.925,585 3.383,586 1573.33,587 8.669,588 21812,590 1,593 347.076,594 1.277,595 4.899,596 0.132,597 0.003,598 0.063,599 0.047,600 0.033,601 0.02,602 0.014,603 0.013,604 0.009,605 0.005,606 0.339,607 0.17,608 1,609 0.741,610 157.135,611 -0.007,612 -0.102,613 0.076,614 -0.013,615 -0.022,616 0.011,617 -0.076,618 0.08,619 0.06,620 0.12,621 -0.014,622 0.07,623 -0.037,624 -0.054,625 -0.043,626 -0.023,627 0.025,628 -0.005,629 0.022,630 -0.059,631 -0.026,632 -0.081,633 0.002,634 -0.045,635 -0.035,636 -0.02,637 0.104,638 0.057,639 -0.008,640 0.042,641 -0.063,642 0.033,643 -0.111,644 -0.054,645 -0.083,646 -0.072,647 0.006,648 -0.095,649 -0.162,650 -0.165,651 -0.013,652 -0.151,653 -0.038,654 -0.063,655 -0.134,656 -0.105,657 -0.044,658 -0.099,659 1.757,660 5.96,661 0.742,662 27.602,663 0.996,664 1.118,665 3.189,666 10.169,667 0.677,668 3.555,669 3.85,670 4.159,671 4.454,672 4.7,673 4.779,674 4.934,675 5.011,676 5.03,677 4.99,678 6.042,679 0.631,680 436.62,681 3.555,682 5.081,683 5.938,684 6.817,685 7.698,686 8.591,687 9.484,688 10.383,689 11.282,690 12.185,691 3.4,694 1,698 1,709 10,713 1,714 6,716 17,723 1,735 1,738 59,739 18,740 2,741 34,743 62,744 25,745 16,746 3,747 9,748 1,752 4,753 4,759 1,766 2,768 17,769 8,772 1,778 1,782 1,786 1,789 28,790 5,791 1,792 6,793 1,797 2,803 1,804 3,822 1,823 3,851 1,854 1,855 4,857 1,859 2,862 31,869 5,871 1,872 2,874 1,875 1,880 1,886 5.1,889 1,890 1,891 1,893 15.5,894 11.033,895 7.083,896 3.649,898 2.739,899 1.368,900 0.977,901 7.384,902 10.177,903 3.795,904 4.334,905 4.893,906 5.443,907 5.886,908 6.046,909 6.409,910 6.672,911 6.954,912 7.196,913 1,914 49,915 11.502,917 4.808,918 7.591,919 22.381,921 18.32,924 2.091,925 64.833,928 1,929 317.82,930 183.472,931 21.135,933 47.145,935 31.278,936 152.194,937 364.964,938 21.135,939 19.708,940 33.941,941 94.762,942 40.849,943 29.854,944 1.358,945 349.097,947 317.82,948 173.329,949 47.145,950 31.278,952 317.82,953 36.145,954 11,956 46.821,957 126.509,959 31.278,960 317.82,961 68.28,962 183.472,965 317.82,966 69.001,967 117.595,968 18.011,969 47.145,970 317.82,971 68.28,972 183.472,973 0.564,974 0.344,975 0.199,976 0.115,977 21,978 9,979 0.113,980 7,982 1,983 4.057,984 291.65,986 23,987 145.58,989 1,993 22.003,994 10.403,995 5.003,997 68.28,998 19.731,1002 1.652,1003 5.85,1005 18.011,1006 569.571,1007 43.5,1013 12.96,1017 -0.091,1020 58.749,1021 65.942,1022 0.258,1023 0.591,1024 0.774,1025 0.858,1026 0.886,1027 0.886,1028 5.019,1029 1.497,1030 5.9,1031 4.055,1032 4.533,1033 5.021,1034 2.216,1035 6.72,1036 4.434,1037 6.189,1038 1.31,1039 7.456,1040 3.483,1041 4.007,1042 4.663,1043 0.914,1044 7.664,1045 3.872,1046 7.477,1047 1.243,1048 9.121,1049 3.055,1050 6.116,1051 7.13,1052 2.184,1053 10.821,1054 5.935,1055 8.803,1056 1,1057 10.854,1058 2.919,1059 6.494,1060 7.656,1061 1.413,1062 12.665,1063 6.277,1064 10.167,1065 1,1066 12.632,1067 2.361,1068 8.015,1069 9.548,1070 2.301,1071 15.336,1072 7.764,1073 11.557,1074 0.953,1075 14.442,1076 2.136,1077 8.811,1078 10.488,1079 1.855,1080 17.543,1081 8.522,1082 12.966,1083 0.558,1084 16.274,1085 2.136,1086 10.1,1087 12.127,1088 2.526,1089 20.066,1090 9.779,1091 3.276,1092 0.405,1093 18.123,1094 1.153,1095 11.092,1096 13.276,1097 2.297,1098 22.425,1099 10.733,1100 2.866,1101 11.909,1102 19.986,1103 0.594,1104 12.291,1105 14.792,1106 2.831,1107 24.905,1108 11.899,1109 2.704,1110 9.231,1111 21.86,1112 4.116,1113 13.375,1114 16.05,1115 2.751,1116 27.329,1117 12.943,1118 2.482,1119 8.466,1120 23.743,1121 3.798,1122 14.545,1123 17.504,1124 3.194,1125 29.8,1126 14.077,1127 2.059,1128 7.62,1129 25.634,1130 3.652,1131 15.672,1132 18.821,1133 3.216,1134 32.251,1135 15.164,1136 1.859,1137 6.012,1138 27.531,1139 2.794,1140 16.835,1141 20.245,1142 3.597,1143 34.722,1144 16.289,1145 1.647,1146 5.012,1147 29.434,1148 2.6,1149 17.984,1150 21.595,1151 3.689,1152 37.187,1153 17.398,1154 10850,1155 17235,1156 23.057,1157 39.921,1158 50.275,1159 51.303,1160 51.905,1161 50.091,1162 50.118,1163 63.584,1164 9.097,1165 141.059,1166 47.537,1167 5.525,1168 5.666,1169 6.783,1170 5.361,1171 5.276,1172 7.116,1173 2.335,1174 19.344,1175 5.144,1176 12.491,1177 1.479,1178 1.509,1179 1.527,1180 1.473,1181 1.474,1182 1.87,1183 0.268,1184 4.149,1185 1.398,1186 4.043,1187 4.066,1188 4.267,1189 4.016,1190 7.429,1191 3.978,1192 3.905,1193 3.931,1194 3.869,1195 3.838,1196 4.875,1197 3.835,1198 3.818,1199 3.836,1200 3.842,1201 3.799,1202 4.733,1203 3.764,1204 3.724,1205 3.774,1206 3.619,1207 3.521,1208 4.645,1209 3.53,1210 3.407,1211 3.479,1212 3.278,1213 3.236,1214 4.581,1215 3.224,1216 3.252,1217 3.315,1218 3.134,1219 3.053,1220 4.383,1221 3.076,1222 3.248,1223 3.288,1224 3.064,1225 2.972,1226 4.013,1227 2.98,1228 3.111,1229 3.206,1230 3.032,1231 2.941,1232 3.883,1233 2.91,1234 0.133,1235 0.108,1236 0.205,1237 0.125,1238 0.096,1239 4.525,1240 0.121,1241 3.666,1242 0.038,1243 6.981,1244 0.35,1245 4.234,1246 0.092,1247 3.276,1248 4.116,1249 1.277,1250 11.909,1251 3.144,1252 1.936,1253 1.912,1254 2.042,1255 2.051,1256 1.3,1257 2.049,1258 1.9,1259 1.875,1260 2.016,1261 1.99,1262 1.101,1263 1.999,1264 1.7,1265 1.652,1266 1.898,1267 1.902,1268 1.082,1269 1.903,1270 1.636,1271 1.595,1272 1.86,1273 1.77,1274 1.07,1275 1.814,1276 1.484,1277 1.458,1278 1.601,1279 1.636,1280 0.825,1281 1.635,1282 1.198,1283 1.146,1284 1.572,1285 1.513,1286 0.814,1287 1.532,1288 1.187,1289 1.123,1290 1.513,1291 1.412,1292 0.574,1293 1.429,1294 1.153,1295 1.064,1296 1.335,1297 1.376,1298 0.467,1299 1.407,1300 4.234,1302 5.533,1303 2.398,1304 7.041,1305 4.727,1306 8.641,1307 6.823,1308 10.291,1310 3.851,1315 3.961,1317 3.189,1318 11.337,1320 -0.025,1321 2.418,1326 37.223,1327 89.619,1328 205.151,1329 268.737,1330 297.957,1331 307.566,1332 307.566,1333 52.255,1334 7.438,1335 50.8,1336 79.04,1337 23,1338 12.706,1339 4.248,1340 3.392,1341 48.772,1342 107,1343 128,1344 0.215,1345 231.367,1346 402.04,1347 556.296,1348 15403,1350 21.631,1351 0.698,1352 0.606,1353 21.985,1354 18.783,1355 15.207,1356 0.447,1357 0.337,1358 10.576,1359 14.226,1360 10.219,1361 8.467,1362 15.615,1363 11.463,1364 12.873,1365 0.28,1366 0.187,1367 13.541,1368 8.6,1369 11.229,1370 0.178,1371 0.108,1372 12.009,1373 6.773,1374 9.511,1375 0.112,1376 0.059,1377 10.347,1378 5.012,1379 7.87,1380 0.072,1381 0.033,1382 8.615,1383 3.65,1384 0.324,1385 99.001,1386 0.208,1387 28.384,1388 0.633,1389 160,1390 442.045,1391 198.619,1392 441.708,1393 606.36,1394 418,1395 189,1396 421.279,1397 223.794,1398 443.883,1399 653.8,1400 418,1401 5.134}
{0 CHEMBL1582305,1 1.949,2 7.647,3 4.079,4 16.642,5 75.388,6 12.717,7 0.611,8 3.357,9 3.424,10 3.446,11 3.153,12 4.525,13 3.061,14 3.835,15 3.945,16 3.831,17 3.521,18 5.007,19 3.402,20 3.949,21 4.059,22 4.003,23 3.546,24 5.252,25 3.422,26 3.915,27 4.032,28 3.987,29 3.515,30 5.132,31 3.315,32 3.776,33 3.926,34 3.727,35 3.291,36 4.931,37 3.141,38 3.673,39 3.848,40 3.488,41 3.153,42 4.814,43 2.97,44 3.567,45 3.757,46 3.349,47 2.953,48 4.755,49 2.785,50 3.41,51 3.651,52 3.207,53 2.704,54 4.463,55 2.45,56 0.037,57 0.289,58 1.214,59 1.818,60 4.273,61 2.271,62 0.112,63 0.497,64 16.558,65 4.249,66 11.893,67 4.561,68 0.249,69 0.564,70 10.273,71 4.654,72 27.675,73 4.197,74 0.206,75 0.603,76 27.355,77 6.518,78 19.436,79 5.305,80 0.199,81 0.492,82 8.585,83 4.188,84 25.78,85 3.744,86 0.159,87 0.382,88 26.62,89 4.63,90 13.592,91 4.969,92 0.132,93 0.35,94 8.079,95 3.503,96 18.593,97 4.113,98 0.162,99 0.297,100 22.357,101 4.305,102 22.455,103 4.512,104 19,105 25,106 0.385,107 0.718,108 0.785,109 0.816,110 0.816,111 0.816,112 2.908,113 1.209,114 -4.28,115 -4.22,116 -3.99,117 1,120 46.2,121 1,126 1,143 4,144 1,145 1,147 1,153 1,158 1,162 1,174 4,177 3,185 7,189 4,197 7,200 1,201 3,209 5,214 2,222 3,227 3,235 4,240 2,247 2,260 3,264 1,274 301,275 11.232,276 11.232,277 11.232,278 11.232,279 11.232,280 9.78,281 7.529,282 6.492,283 11.629,284 8.777,285 8.777,286 8.777,287 8.777,288 8.777,289 6.526,290 5.014,291 2.987,292 9.552,293 2.752,294 1.062,295 0.721,296 0.567,297 0.567,298 0.567,299 3.554,303 1,306 1,307 1,308 265,309 2.55,312 47.246,313 55.474,320 1.197,321 16.383,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 35.583,333 130,334 4.467,335 3.667,336 6.499,337 4.024,338 3.096,339 4.164,340 1.624,341 10.138,342 2.87,343 4.052,344 3.006,345 6.025,346 3.656,347 2.681,348 3.616,350 8.551,351 2.602,352 3.637,353 2.837,354 5.056,355 3.165,356 2.268,357 2.989,359 6.093,360 1.988,361 3.28,362 2.403,363 4.857,364 2.872,365 1.907,366 2.479,368 5.163,369 1.771,370 2.684,371 1.841,372 4.194,373 2.134,374 1.257,375 1.758,377 3.529,378 1.062,379 2.5,380 1.425,381 3.777,382 2,383 1,384 1.5,386 2.439,387 1,388 2.351,389 1.179,390 3.414,391 1.767,392 0.947,393 1.259,395 2.275,396 0.725,397 1.468,398 1,399 2.557,400 0.841,401 0.16,402 0.194,404 0.219,405 0.071,406 1.124,407 0.348,408 2.474,409 0.65,410 -0.195,411 -0.243,413 -0.431,414 -0.132,415 0.628,416 -0.081,417 2,418 0.277,419 -0.66,420 -0.799,422 -1.595,423 -0.592,424 0.5,425 -0.362,426 1.746,428 -1,429 -1.346,431 -2.824,432 -0.855,433 0.203,434 -0.852,435 1.693,436 -0.244,437 -1.105,438 -1.5,440 -3,441 -1,442 -0.061,443 -1,444 1.461,445 -0.481,446 -1.348,447 -1.708,449 -3.025,450 -1.224,451 -0.136,452 -1.274,453 1.314,454 -0.669,455 -1.472,456 -1.877,458 -4.109,459 -1.244,460 -0.329,461 -1.542,462 1.038,463 -0.779,464 -1.666,465 -2.167,467 -5.129,468 -1.451,469 9.614,470 0.566,471 0.473,472 0.028,473 21.5,474 1.265,475 11.5,476 0.676,477 10,478 0.588,479 14.84,480 0.873,481 16.786,482 0.646,483 10.729,484 0.631,485 3.519,486 0.207,487 4.594,488 0.27,489 0.3,491 0.312,496 0.534,497 0.955,498 0.492,499 0.634,500 0.543,501 0.698,502 0.694,503 1.061,504 0.909,505 0.898,506 0.627,507 0.807,508 1.167,509 0.971,510 0.658,511 0.883,512 1.281,513 0.876,514 0.939,515 1.378,516 0.777,517 1.379,518 0.806,519 1.218,520 1.158,521 1.001,522 0.893,523 0.921,524 1.281,525 1.01,526 0.635,527 0.986,528 1.271,529 1.096,530 0.64,531 1.153,532 1.082,533 0.983,534 0.703,535 0.731,536 1.348,537 0.997,538 1.225,539 0.741,540 1.575,541 0.93,542 1.314,543 0.949,544 4,546 2.444,547 1.194,548 0.962,549 0.643,550 0.229,551 0.19,552 0.103,553 0.036,554 2137,555 9422,556 1.96,557 34.6,559 6,563 3,567 1.57,568 1.789,569 2.954,570 -0.692,575 50.663,576 1.949,577 3.639,578 3.979,579 4.133,580 4.133,581 4.133,582 2.469,583 3.735,584 4.056,585 3.02,586 410.673,587 6.861,588 3657.09,590 1,592 1,593 122.211,594 1.549,595 3.989,596 0.222,598 0.098,599 0.05,600 0.048,601 0.04,602 0.018,603 0.019,604 0.017,605 0.012,606 0.524,607 0.67,608 1,609 1.212,610 69.99,611 -0.015,612 -0.034,613 -0.002,614 0.021,615 -0.054,616 0.014,617 -0.007,618 -0.092,619 -0.09,620 -0.035,621 -0.001,622 0.051,623 -0.095,624 0.066,625 -0.009,626 -0.015,627 -0.122,628 -0.04,629 -0.068,630 -0.248,631 -0.046,632 -0.279,633 0.024,634 -0.29,635 -0.211,636 0.052,637 -0.026,638 -0.011,639 -0.224,640 -0.109,641 0.159,642 -0.121,643 -0.101,644 -0.133,645 0.11,646 -0.109,647 -0.042,648 -0.143,649 0.086,650 0.123,651 -0.078,652 0.036,653 -0.067,654 0.117,655 -0.045,656 0.252,657 -0.064,658 0.321,659 1.597,660 4.635,661 0.647,662 11.336,663 1.018,664 1.096,665 3.055,666 9.33,667 0.813,668 2.944,669 3.258,670 3.497,671 3.689,672 3.829,673 3.85,674 3.784,675 3.738,676 3.714,677 3.296,678 4.488,679 0.747,680 330.64,681 2.944,682 4.466,683 5.303,684 6.172,685 7.033,686 7.907,687 8.776,688 9.654,689 10.527,690 11.406,691 3.8,701 1,709 4,710 1,713 1,714 5,716 11,721 1,737 1,738 26,739 12,740 1,741 18,742 1,743 27,744 12,745 9,746 2,747 4,748 1,750 1,752 2,753 2,754 1,759 2,768 10,769 2,772 1,778 1,782 1,786 1,789 9,790 2,792 5,793 3,797 1,803 1,804 1,822 1,823 1,855 2,857 1,858 1,859 1,860 1,862 17,869 1,879 1,885 2,886 3.8,889 1,893 9.5,894 5.152,895 3.833,896 1.45,898 2.127,899 1.357,900 0.978,901 4.076,902 8.08,903 3.239,904 3.845,905 4.42,906 4.962,907 5.384,908 5.664,909 5.915,910 6.193,911 6.506,912 6.383,913 1,914 24,915 6.248,917 2.584,918 7.864,919 11.79,921 9.377,924 2.364,925 40.194,926 0.001,929 105.94,930 97.276,931 62.74,932 39.149,933 25.145,935 31.278,936 111.953,937 170.233,938 16.786,939 8.825,940 2.404,941 37.905,942 47.994,943 9.443,944 1.358,945 137.218,946 85.103,947 105.94,948 82.784,949 25.145,950 70.426,951 45.954,952 105.94,953 25.145,956 14.916,957 51.083,958 55.934,959 77.232,960 105.94,961 41.93,962 182.379,965 105.94,966 50.546,967 46.73,968 45.954,969 81.079,970 105.94,971 41.93,972 182.379,973 0.582,974 0.344,975 0.171,976 0.092,977 12,978 6,979 0.074,980 2,982 1,983 2.875,984 114.352,986 11,987 65.487,989 1,993 12.874,994 5.382,995 2.817,997 41.93,998 7.45,999 4.413,1002 1.417,1003 4.023,1006 330.249,1007 24.5,1013 11.635,1017 0.07,1020 26.476,1021 28.489,1022 0.415,1023 0.774,1024 0.847,1025 0.879,1026 0.879,1027 0.879,1028 4.451,1029 0.16,1030 5.303,1031 2.275,1032 3.932,1033 4.527,1034 1.837,1035 6.107,1036 3.772,1037 5.677,1038 -0.195,1039 6.87,1040 0.219,1041 3.611,1042 4.388,1044 7.018,1045 3.401,1046 6.992,1047 -0.66,1048 8.534,1049 -0.431,1050 5.525,1051 6.734,1052 2.703,1053 10.078,1054 5.249,1055 8.344,1056 -1,1057 10.252,1058 -1.595,1059 5.994,1060 7.393,1062 11.795,1063 5.644,1064 9.725,1065 -1.105,1066 12.005,1067 -2.824,1068 7.41,1069 9.217,1070 3.631,1071 14.375,1072 7.017,1073 11.126,1074 -1.348,1075 13.782,1076 -3,1077 8.227,1078 10.245,1080 16.42,1081 7.748,1082 12.543,1083 -1.472,1084 15.576,1085 -3.025,1086 9.453,1087 11.848,1088 4.584,1089 18.829,1090 8.931,1091 3.096,1092 -1.666,1093 17.384,1094 -4.109,1095 10.429,1096 13.061,1098 21.017,1099 9.819,1100 2.681,1101 10.138,1102 19.201,1103 -5.129,1104 11.582,1105 14.564,1106 5.548,1107 23.36,1108 10.919,1109 2.268,1110 8.551,1111 21.027,1112 4.164,1113 12.632,1114 15.873,1116 25.611,1117 11.883,1118 1.907,1119 6.093,1120 22.859,1121 3.616,1122 13.76,1123 17.328,1124 6.516,1125 27.93,1126 12.948,1127 1.257,1128 5.163,1129 24.696,1130 2.989,1131 14.845,1132 18.688,1134 30.211,1135 13.949,1136 1,1137 3.529,1138 26.537,1139 2.479,1140 15.965,1141 20.122,1142 7.485,1143 32.522,1144 14.999,1145 0.947,1146 2.439,1147 28.382,1148 1.758,1149 17.069,1150 21.509,1152 34.817,1153 16.02,1154 2243,1155 4776,1156 11.444,1157 21.125,1158 27.097,1159 28.672,1160 28.756,1161 26.712,1162 26.631,1163 35.918,1164 3.249,1165 76.813,1166 24.178,1167 5.185,1168 5.667,1169 6.042,1170 5.139,1171 5.096,1172 7.164,1173 3.249,1174 16.83,1175 4.87,1176 9.655,1177 1.505,1178 1.593,1179 1.598,1180 1.484,1181 1.48,1182 1.995,1183 0.18,1184 4.267,1185 1.343,1186 3.991,1187 4.003,1188 6.88,1189 3.982,1190 7.427,1191 3.938,1192 3.766,1193 3.781,1194 4.268,1195 3.73,1196 4.966,1197 3.697,1198 3.368,1199 3.401,1200 3.945,1201 3.287,1202 4.751,1203 3.226,1204 3.048,1205 3.109,1206 3.315,1207 2.961,1208 4.244,1209 2.913,1210 2.854,1211 2.925,1212 3.079,1213 2.735,1214 3.853,1215 2.715,1216 2.725,1217 2.762,1218 2.983,1219 2.684,1220 3.674,1221 2.595,1222 2.453,1223 2.471,1224 2.687,1225 2.269,1226 3.653,1227 2.227,1228 1.783,1229 1.802,1230 2.299,1231 1.735,1232 3.136,1233 1.623,1234 0.248,1235 0.204,1236 0.361,1237 0.224,1238 0.172,1239 4.467,1240 0.231,1241 3.667,1242 0.09,1243 6.499,1244 0.563,1245 4.024,1246 0.159,1247 3.096,1248 4.164,1249 1.624,1250 10.138,1251 2.87,1252 1.894,1253 1.877,1254 1.969,1255 1.954,1256 1.09,1257 1.971,1258 1.638,1259 1.628,1260 1.754,1261 1.761,1262 0.933,1263 1.773,1264 1.329,1265 1.283,1266 1.488,1267 1.516,1268 0.709,1269 1.543,1270 1.119,1271 1.11,1272 1.181,1273 1.174,1274 0.391,1275 1.22,1276 0.886,1277 0.821,1278 1.083,1279 1.062,1280 0.218,1281 1.107,1282 0.699,1283 0.653,1284 0.858,1285 0.874,1286 0.091,1287 0.932,1288 0.491,1289 0.431,1290 0.602,1291 0.677,1293 0.709,1294 0.029,1295 0.04,1296 0.381,1297 0.372,1299 0.345,1300 3.611,1302 4.92,1303 2.398,1304 6.418,1305 4.727,1306 7.996,1307 6.823,1308 9.615,1309 3.173,1310 1.853,1311 5.831,1315 0.329,1326 19.41,1327 50.663,1328 94.602,1329 103.457,1330 107.457,1331 107.457,1332 107.457,1333 27.331,1334 5.953,1335 29.96,1336 58.2,1337 11,1338 11.944,1339 3.7,1340 2.907,1341 28.424,1342 45,1343 45,1344 0.326,1345 135.696,1346 226.59,1347 322.857,1348 2204,1349 7.7,1350 12.414,1351 0.73,1352 0.717,1353 14.267,1354 12.195,1355 8.113,1356 0.451,1357 0.403,1358 5.082,1359 6.714,1360 4.714,1361 3.892,1362 9.517,1363 7.257,1364 7.278,1365 0.291,1366 0.22,1367 8.71,1368 5.493,1369 6.082,1370 0.19,1371 0.133,1372 7.955,1373 4.271,1374 4.569,1375 0.117,1376 0.078,1377 6.053,1378 3.033,1379 3.434,1380 0.076,1381 0.044,1382 4.716,1383 1.992,1384 0.493,1385 67.177,1386 0.296,1387 17.008,1388 0.943,1389 86,1390 279.099,1391 186.421,1392 357.323,1393 458.31,1394 332,1395 100,1396 260.926,1397 164.293,1398 299.541,1399 439.14,1400 280,1401 4.153}
{0 CHEMBL1582314,1 1.941,2 7.647,3 1.392,4 1.938,5 63.611,6 9.718,7 0.611,8 3.417,9 3.533,10 3.171,11 2.902,12 4.777,13 2.934,14 3.813,15 3.939,16 3.539,17 3.245,18 5.179,19 3.266,20 4.019,21 4.174,22 3.573,23 3.28,24 5.507,25 3.275,26 3.964,27 4.137,28 3.387,29 3.143,30 5.474,31 3.137,32 3.83,33 4.022,34 3.174,35 2.997,36 5.204,37 2.984,38 3.707,39 3.887,40 3.096,41 2.862,42 5.099,43 2.836,44 3.538,45 3.734,46 2.9,47 2.632,48 4.922,49 2.589,50 3.249,51 3.468,52 2.635,53 2.269,54 4.692,55 2.214,56 0.177,57 0.409,58 3.312,59 1.865,60 17.466,61 1.864,62 0.249,63 0.579,64 5.397,65 2.86,66 19.471,67 3.111,68 0.473,69 0.596,70 11.482,71 3.836,72 51.965,73 4.36,74 0.51,75 0.558,76 11.162,77 3.362,78 56.046,79 3.769,80 0.388,81 0.485,82 8.553,83 2.922,84 43.16,85 3.348,86 0.348,87 0.379,88 8.24,89 2.87,90 39.027,91 3.108,92 0.32,93 0.283,94 9.276,95 2.608,96 40.123,97 2.875,98 0.269,99 0.214,100 6.7,101 1.74,102 34.712,103 1.997,104 19,105 25,106 0.383,107 0.743,108 0.822,109 0.852,110 0.852,111 0.852,112 2.908,113 0.841,114 -2.94,115 -2.95,116 -2.85,120 38.5,143 4,145 3,147 1,152 1,159 1,164 1,165 1,166 1,167 1,171 1,173 1,174 2,177 2,180 1,185 4,188 1,189 4,191 1,192 4,197 4,200 1,201 2,203 1,204 3,205 1,214 1,216 1,217 1,218 1,219 2,221 1,227 3,232 4,240 2,245 4,249 2,257 3,262 2,264 1,269 1,274 301,275 11.232,276 11.232,277 11.232,278 11.232,279 11.232,280 9.78,281 14.488,282 6.492,283 11.54,284 8.777,285 8.777,286 8.777,287 8.777,288 8.777,289 6.526,290 12.525,291 2.987,292 9.284,293 2.76,294 0.937,295 0.538,296 0.385,297 0.385,298 0.385,299 3.554,303 1,306 1,307 1,308 265,309 2.55,312 47.246,313 55.474,320 1.197,321 22.552,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38.333,333 130,334 4.467,335 3.594,336 6.499,337 4.059,338 3.096,339 4.164,340 0.98,341 10.138,342 2.978,343 4.052,344 3.064,345 6.025,346 3.648,347 2.681,348 3.616,350 8.551,351 2.585,352 3.637,353 2.856,354 5.056,355 3.175,356 2.268,357 2.989,359 6.093,360 2.028,361 3.28,362 2.481,363 4.857,364 2.865,365 1.907,366 2.479,368 5.163,369 1.761,370 2.684,371 1.457,372 4.194,373 2.197,374 1.257,375 1.758,377 3.529,378 1.151,379 2.5,380 1.199,381 3.777,382 2,383 1,384 1.5,386 2.439,387 1,388 2.351,389 1,390 3.414,391 1.891,392 0.947,393 1.259,395 2.275,396 0.887,397 1.468,398 0.873,399 2.557,400 1.202,401 0.16,402 0.194,404 0.219,405 0.164,406 1.124,407 0.365,408 2.474,409 0.642,410 -0.195,411 -0.243,413 -0.431,414 -0.132,415 0.628,416 -0.196,417 2,418 0.259,419 -0.66,420 -0.799,422 -1.595,423 -0.583,424 0.5,425 -0.645,426 1.746,428 -1,429 -1.346,431 -2.824,432 -0.87,433 0.203,434 -0.867,435 1.693,436 -0.207,437 -1.105,438 -1.5,440 -3,441 -1,442 -0.061,443 -1,444 1.461,445 -0.395,446 -1.348,447 -1.708,449 -3.025,450 -1.298,451 -0.136,452 -1.323,453 1.314,454 -0.635,455 -1.472,456 -1.877,458 -4.109,459 -1.408,460 -0.329,461 -1.523,462 1.038,463 -0.736,464 -1.666,465 -2.167,467 -5.129,468 -1.551,469 7.981,470 0.469,471 0.473,472 0.028,473 22.75,474 1.338,475 12,476 0.706,477 10.75,478 0.632,479 10.321,480 0.607,481 18.419,482 0.708,483 15.249,484 0.897,485 4.735,486 0.279,487 3.378,488 0.199,489 0.223,491 0.363,496 0.856,497 0.939,498 0.578,499 0.682,500 0.852,501 0.676,502 0.789,503 1.382,504 0.629,505 0.935,506 0.651,507 0.855,508 0.895,509 1.055,510 1.019,511 1.025,512 0.882,513 1.012,514 0.956,515 0.915,516 1.062,517 0.981,518 0.972,519 1.054,520 0.994,521 0.861,522 0.736,523 0.894,524 1.031,525 1.003,526 1.268,527 1.017,528 0.896,529 1.037,530 1.254,531 1.085,532 1.485,533 1.048,534 1.185,535 0.988,536 1.562,537 0.99,538 1.111,539 1.051,540 1.027,541 1.045,542 1.345,543 1.093,544 4,546 2.444,547 1.194,548 0.962,549 0.643,550 0.229,551 0.19,552 0.103,553 0.036,554 2137,555 9300,556 1.96,557 34.6,559 4,560 1,562 4,567 1.57,568 1.789,569 2.954,570 2.236,574 1,575 50.463,576 1.941,577 3.763,578 4.162,579 4.316,580 4.316,581 4.316,582 2.469,583 3.735,584 4.056,585 3.02,586 410.673,587 6.861,588 3657.09,590 1,593 122.211,594 1.549,595 3.989,596 0.222,598 0.098,599 0.05,600 0.048,601 0.04,602 0.018,603 0.019,604 0.017,605 0.012,606 0.524,607 0.5,608 1,609 1.212,610 69.99,611 -0.133,612 0.29,613 -0.034,614 0.189,615 -0.201,616 0.119,617 -0.077,618 -0.223,619 0.017,620 -0.033,621 -0.022,622 -0.008,623 0.072,624 -0.05,625 -0.095,626 -0.073,627 0.065,628 -0.096,629 0.048,630 0.091,631 -0.195,632 -0.079,633 0.054,634 -0.161,635 -0.071,636 0.128,637 -0.039,638 -0.006,639 -0.077,640 -0.067,641 -0.206,642 -0.124,643 -0.012,644 -0.069,645 -0.151,646 -0.098,647 -0.311,648 -0.26,649 -0.009,650 0.045,651 -0.251,652 0.064,653 -0.023,654 -0.234,655 0.123,656 -0.07,657 -0.11,658 -0.054,659 2.324,660 4.24,661 0.647,662 11.336,663 1.04,664 1.139,665 1.715,666 2.941,667 0.695,668 2.944,669 3.258,670 3.497,671 3.689,672 3.829,673 3.85,674 3.784,675 3.738,676 3.714,677 3.296,678 4.488,679 0.689,680 252.68,681 2.944,682 4.466,683 5.303,684 6.172,685 7.033,686 7.907,687 8.776,688 9.654,689 10.527,690 11.406,691 15.4,695 1,698 1,699 1,701 1,709 5,710 1,714 4,715 1,716 11,734 1,737 1,738 26,739 12,740 1,741 18,743 27,744 10,745 9,746 2,747 4,748 1,752 2,753 2,754 1,768 10,772 1,778 1,782 1,786 1,789 9,790 5,791 4,792 7,793 1,797 4,801 1,803 1,804 2,814 1,822 1,823 1,855 2,860 1,862 17,863 1,868 1,871 1,885 1,886 7.7,888 1,889 1,893 9.5,894 4.41,895 3.833,896 1.244,898 2.127,899 1.357,900 0.945,901 3.328,902 8.08,903 3.239,904 3.845,905 4.42,906 4.962,907 5.384,908 5.664,909 5.915,910 6.193,911 6.506,912 6.383,913 1,914 24,915 6.19,917 2.623,918 8.261,919 11.105,921 8.639,924 2.761,925 46.944,929 58.856,930 60.671,931 69.102,932 39.149,933 67.828,936 60.671,937 165.832,938 69.102,940 17.888,941 79.727,942 89.196,943 10.791,944 11.771,945 47.084,946 39.149,947 58.856,948 129.774,949 67.828,950 39.149,952 58.856,953 67.828,956 22.422,957 90.689,958 55.812,960 58.856,961 136.931,962 99.82,965 58.856,966 13.719,967 48.729,968 17.888,969 156.415,970 58.856,971 136.931,972 99.82,973 0.582,974 0.344,975 0.171,976 0.092,977 12,978 6,979 0.074,980 2,982 1,983 2.875,984 114.352,986 11,987 65.487,993 11.913,994 4.748,995 2.412,997 135.154,998 8.086,999 3.912,1003 0.871,1004 1.357,1005 93.346,1006 295.606,1007 24.5,1013 11.24,1017 -0.657,1020 27.036,1021 29.602,1022 0.413,1023 0.801,1024 0.885,1025 0.918,1026 0.918,1027 0.918,1028 4.451,1029 0.16,1030 5.303,1031 2.275,1032 3.932,1033 4.527,1034 1.072,1035 6.107,1036 3.828,1037 5.677,1038 -0.195,1039 6.87,1040 0.219,1041 3.611,1042 4.388,1044 7.018,1045 3.412,1046 6.992,1047 -0.66,1048 8.534,1049 -0.431,1050 5.525,1051 6.734,1052 1.045,1053 10.078,1054 5.338,1055 8.344,1056 -1,1057 10.252,1058 -1.595,1059 5.994,1060 7.393,1062 11.795,1063 5.735,1064 9.725,1065 -1.105,1066 12.005,1067 -2.824,1068 7.41,1069 9.217,1070 1.019,1071 14.375,1072 7.149,1073 11.126,1074 -1.348,1075 13.782,1076 -3,1077 8.227,1078 10.245,1080 16.42,1081 7.91,1082 12.543,1083 -1.472,1084 15.576,1085 -3.025,1086 9.453,1087 11.848,1088 0.993,1089 18.829,1090 9.122,1091 3.096,1092 -1.666,1093 17.384,1094 -4.109,1095 10.429,1096 13.061,1098 21.017,1099 10.051,1100 2.681,1101 10.138,1102 19.201,1103 -5.129,1104 11.582,1105 14.564,1106 0.967,1107 23.36,1108 11.18,1109 2.268,1110 8.551,1111 21.027,1112 4.164,1113 12.632,1114 15.873,1116 25.611,1117 12.188,1118 1.907,1119 6.093,1120 22.859,1121 3.616,1122 13.76,1123 17.328,1124 0.942,1125 27.93,1126 13.285,1127 1.257,1128 5.163,1129 24.696,1130 2.989,1131 14.845,1132 18.688,1134 30.211,1135 14.33,1136 1,1137 3.529,1138 26.537,1139 2.479,1140 15.965,1141 20.122,1142 0.917,1143 32.522,1144 15.415,1145 0.947,1146 2.439,1147 28.382,1148 1.758,1149 17.069,1150 21.509,1152 34.817,1153 16.479,1154 2243,1155 4749,1156 11.444,1157 18.074,1158 27.097,1159 28.158,1160 28.756,1161 26.964,1162 26.631,1163 35.918,1164 1.96,1165 76.813,1166 25.109,1167 5.185,1168 5.594,1169 6.042,1170 5.071,1171 5.096,1172 7.164,1173 1.96,1174 16.83,1175 4.978,1176 9.655,1177 1.505,1178 1.564,1179 1.598,1180 1.498,1181 1.48,1182 1.995,1183 0.109,1184 4.267,1185 1.395,1186 4.024,1187 4.066,1188 4.048,1189 3.895,1190 7.43,1191 3.907,1192 3.762,1193 3.787,1194 3.846,1195 3.634,1196 6.47,1197 3.655,1198 3.367,1199 3.46,1200 3.377,1201 3.014,1202 5.086,1203 3.072,1204 2.903,1205 2.947,1206 3.17,1207 2.745,1208 4.974,1209 2.745,1210 2.854,1211 2.925,1212 2.687,1213 2.735,1214 4.747,1215 2.715,1216 2.742,1217 2.797,1218 2.605,1219 2.318,1220 4.209,1221 2.362,1222 2.483,1223 2.53,1224 2.531,1225 1.993,1226 3.674,1227 2.078,1228 2.114,1229 2.228,1230 2.09,1231 1.765,1232 3.355,1233 1.806,1234 0.248,1235 0.2,1236 0.361,1237 0.226,1238 0.172,1239 4.467,1240 0.231,1241 3.594,1242 0.054,1243 6.499,1244 0.563,1245 4.059,1246 0.165,1247 3.096,1248 4.164,1249 0.98,1250 10.138,1251 2.978,1252 1.893,1253 1.867,1254 1.977,1255 1.997,1256 1.078,1257 1.996,1258 1.536,1259 1.521,1260 1.607,1261 1.788,1262 0.638,1263 1.732,1264 1.299,1265 1.239,1266 1.423,1267 1.564,1268 0.358,1269 1.535,1270 0.981,1271 0.882,1272 1.201,1273 1.403,1274 0.218,1275 1.354,1276 0.886,1277 0.821,1278 1.181,1279 1.062,1280 0.014,1281 1.107,1282 0.647,1283 0.584,1284 0.858,1285 0.955,1287 0.911,1288 0.368,1289 0.298,1290 0.688,1291 0.737,1293 0.751,1296 0.513,1297 0.57,1299 0.553,1300 3.611,1302 4.92,1303 2.398,1304 6.418,1305 4.727,1306 7.996,1307 6.823,1308 9.615,1311 5.749,1313 4.963,1314 9.523,1317 1.9,1326 17.923,1327 50.463,1328 97.847,1329 108.211,1330 112.211,1331 112.211,1332 112.211,1333 30.272,1334 5.953,1335 93.17,1336 93.17,1337 11,1338 11.944,1339 3.7,1340 2.907,1341 28.424,1342 45,1343 45,1344 0.326,1345 117.845,1346 195.99,1347 279.302,1348 2204,1349 3.8,1350 12.414,1351 0.73,1352 0.55,1353 12.914,1354 9.348,1355 8.113,1356 0.451,1357 0.28,1358 4.608,1359 7.396,1360 4.517,1361 3.745,1362 8.402,1363 5.049,1364 7.278,1365 0.291,1366 0.148,1367 7.686,1368 3.694,1369 6.082,1370 0.19,1371 0.075,1372 6.371,1373 2.384,1374 4.569,1375 0.117,1376 0.037,1377 4.735,1378 1.447,1379 3.434,1380 0.076,1381 0.021,1382 3.648,1383 0.925,1384 0.493,1385 54.905,1386 0.296,1387 17.008,1388 0.943,1389 86,1390 319.024,1391 112.387,1392 338.013,1393 440.14,1394 310,1395 100,1396 299.924,1397 121.821,1398 309.607,1399 447.67,1400 290,1401 4.569}
{0 CHEMBL1582756,1 1.368,2 9.636,3 3.562,4 12.686,5 83.028,6 6.705,7 0.273,8 3.876,9 3.983,10 3.321,11 3.324,12 4.952,13 3.297,14 4.436,15 4.616,16 3.588,17 3.625,18 5.527,19 3.57,20 4.635,21 4.847,22 3.653,23 3.702,24 5.665,25 3.654,26 4.599,27 4.754,28 3.701,29 3.682,30 5.969,31 3.644,32 4.659,33 4.854,34 3.564,35 3.701,36 5.823,37 3.613,38 4.641,39 4.873,40 3.448,41 3.684,42 5.616,43 3.571,44 4.66,45 4.909,46 3.405,47 3.602,48 5.685,49 3.501,50 4.514,51 4.761,52 3.318,53 3.501,54 5.521,55 3.408,56 0.022,57 0.563,58 10.494,59 4.72,60 6.423,61 6.05,62 0.413,63 0.839,64 19.868,65 7.052,66 46.362,67 9.513,68 0.423,69 0.945,70 24.833,71 7.868,72 45.537,73 10.734,74 0.768,75 0.916,76 24.296,77 7.538,78 105.02,79 10.008,80 0.853,81 0.956,82 25.89,83 8.027,84 89.9,85 10.995,86 0.357,87 0.963,88 24.634,89 8.192,90 47.912,91 11.522,92 0.487,93 0.912,94 25.768,95 7.692,96 65.513,97 10.916,98 0.425,99 0.803,100 22.18,101 6.777,102 50.293,103 9.55,104 47,105 27,106 0.241,107 0.511,108 0.721,109 0.804,110 0.804,111 0.804,112 3.145,113 1.046,114 -4.04,115 -3.99,116 -3.77,120 37,121 3,122 2,123 1,126 3,143 4,144 1,145 1,159 2,174 7,176 2,177 9,185 7,189 7,197 5,200 4,201 4,209 6,213 4,214 1,222 7,227 4,235 4,240 10,247 3,252 8,260 2,264 8,271 4,274 696,275 14.853,276 14.853,277 14.853,278 14.853,279 14.853,280 13.869,281 17.827,282 9.242,283 15.379,284 10.703,285 10.703,286 10.703,287 10.703,288 10.703,289 9.047,290 16.178,291 4.099,292 11.294,293 4.155,294 2.624,295 1.436,296 0.962,297 0.962,298 0.962,299 3.786,305 1,306 1,307 1,308 412,309 4.243,313 88.598,320 1.339,321 29.37,322 1,323 1,324 1,325 0.83,326 0.83,327 1,328 1,329 0.83,330 0.5,331 0.86,332 49,333 212,334 4.132,335 4.02,336 6.382,337 3.931,338 2.939,339 3.669,340 2.643,341 9.611,342 2.899,343 4.064,344 3.486,345 5.586,346 3.66,347 2.686,348 3.332,349 2.298,350 7.687,351 2.62,352 3.372,353 2.963,354 4.962,355 3.044,356 2.095,357 2.617,358 0.86,359 5.841,360 1.977,361 3.371,362 2.498,363 4.894,364 2.975,365 2.026,366 2.491,367 0.405,368 5.288,369 1.891,370 2.71,371 1.965,372 3.938,373 2.432,374 1.495,375 1.791,376 0.211,377 3.366,378 1.389,379 2.542,380 1.81,381 3.512,382 2.217,383 1.246,384 1.529,386 2.662,387 1.205,388 2.148,389 1.777,390 3.321,391 1.992,392 1.057,393 1.124,395 2.049,396 0.975,397 2.085,398 1.455,399 2.915,400 1.877,401 0.914,402 1,404 1.423,405 0.863,406 1.708,407 1.17,408 2.775,409 1.437,410 0.446,411 0.502,413 0.853,414 0.439,415 1.583,416 0.507,417 2.659,418 1.382,419 0.405,420 0.464,422 0.618,423 0.389,424 0.948,425 0.331,426 2.187,427 0.659,428 -0.293,429 -0.322,431 -0.622,432 -0.274,433 0.667,434 0.295,435 1.794,436 0.395,437 -0.585,438 -0.657,440 -0.883,441 -0.563,442 0.656,443 0.023,444 1.719,445 0.387,446 -0.615,447 -0.749,449 -1.057,450 -0.604,451 0.593,452 -0.504,453 1.622,454 0.234,455 -0.766,456 -0.97,458 -1.607,459 -0.767,460 0.411,461 -0.654,462 1.365,463 0.058,464 -0.925,465 -1.201,467 -2.356,468 -0.906,469 10.167,470 0.462,471 0.383,472 0.017,473 22.5,474 1.023,475 9.5,476 0.432,477 13,478 0.591,479 19.711,480 0.896,481 26.433,482 0.575,483 16.8,484 0.764,485 4.495,486 0.204,487 6.122,488 0.278,489 0.213,491 0.246,496 0.745,497 1.462,498 0.878,499 1.429,500 0.598,501 1.217,502 0.889,503 1.115,504 0.922,505 1.103,506 0.59,507 1.031,508 1.32,509 0.914,510 0.94,511 0.885,512 1.066,513 0.835,514 1.307,515 1.164,516 1.197,517 1.158,518 1.582,519 1.153,520 1.171,521 0.986,522 1.197,523 1.004,524 1.497,525 1.092,526 1.023,527 1.112,528 1.039,529 1.107,530 0.95,531 1.081,532 1.263,533 0.877,534 1.002,535 0.866,536 1.137,537 0.874,538 1.242,539 0.803,540 0.961,541 0.792,542 1.09,543 0.81,544 4,545 0.074,546 2.222,547 1.625,548 0.782,549 0.486,550 0.346,551 0.222,552 0.206,553 0.162,554 4412,555 12269,556 1.873,557 52.2,558 5,559 10,563 1,564 8,567 1.646,568 1.737,569 3.271,570 -0.762,572 1,575 62.948,576 1.368,577 2.9,578 4.088,579 4.561,580 4.561,581 4.561,582 2.629,583 3.664,584 4.431,585 3.417,586 789.365,587 7.62,588 9189.69,590 1,592 1,593 254.084,594 1.449,595 4.374,596 0.182,597 0.006,598 0.082,599 0.056,600 0.028,601 0.02,602 0.016,603 0.011,604 0.01,605 0.009,606 0.42,607 0.33,608 0.88,609 2.52,610 102.903,611 -0.008,612 -0.178,613 0.038,614 -0.158,615 -0.032,616 -0.065,617 0.127,618 -0.035,619 0.059,620 -0.033,621 0.114,622 -0.006,623 -0.146,624 0.077,625 0.079,626 0.095,627 -0.094,628 0.132,629 0.132,630 -0.121,631 -0.135,632 -0.144,633 0.106,634 -0.191,635 0.106,636 0.011,637 -0.164,638 -0.024,639 -0.081,640 -0.137,641 -0.092,642 -0.122,643 -0.072,644 -0.117,645 -0.047,646 -0.094,647 -0.145,648 0.043,649 0.008,650 0.052,651 -0.047,652 0.063,653 -0.146,654 0.131,655 0.045,656 0.139,657 -0.058,658 0.136,659 2.269,660 4.824,661 0.273,662 17.818,663 1.005,664 1.131,665 2.806,666 7.871,667 0.618,668 3.135,669 3.332,670 3.497,671 3.611,672 3.611,673 3.497,674 3.434,675 3.367,676 3.434,677 3.401,678 5.962,679 0.585,680 308.41,681 3.135,682 4.595,683 5.38,684 6.196,685 7,686 7.824,687 8.634,688 9.46,689 10.273,690 11.099,709 4,714 2,716 6,735 1,738 46,739 8,740 1,741 22,743 46,744 17,745 6,746 2,747 4,752 1,753 1,759 3,766 2,768 8,769 9,770 1,772 2,778 2,782 2,785 1,786 1,789 24,790 5,792 5,803 1,804 5,823 1,841 2,855 1,859 3,862 22,869 5,872 3,874 1,886 10.9,889 2,891 3,893 12.667,894 9,895 5.389,896 3.222,898 1.178,899 1.199,900 0.871,901 8.601,902 7.111,903 3.332,904 3.726,905 4.099,906 4.467,907 4.721,908 4.558,909 4.563,910 4.529,911 4.788,912 4.996,913 1,914 29,915 8.197,917 3.245,918 7.955,919 15.356,921 11.408,924 2.455,925 54,929 282.506,930 106.038,933 83.29,936 106.038,937 365.796,939 26.476,940 18.846,941 37.905,942 64.673,943 41.429,945 282.506,947 282.506,948 106.038,949 83.29,952 188.338,953 177.458,956 45.322,957 60.717,960 282.506,961 83.29,962 106.038,965 282.506,966 41.658,967 64.381,969 83.29,970 282.506,971 83.29,972 106.038,973 0.541,974 0.319,975 0.171,976 0.081,977 8,978 5,979 0.239,980 11,982 1,983 3.365,984 146.531,986 6,987 85.353,993 18.503,994 10.226,995 6.409,997 83.29,998 7.738,1003 1.899,1006 471.834,1007 27,1013 23.647,1017 -1.126,1020 46.24,1021 52.029,1022 0.248,1023 0.525,1024 0.74,1025 0.826,1026 0.826,1027 0.826,1028 4.505,1029 0.914,1030 5.313,1031 2.049,1032 4.007,1033 4.407,1034 3.156,1035 6.023,1036 3.926,1037 5.632,1038 0.446,1039 6.817,1040 1.423,1041 3.434,1042 4.06,1043 2.882,1044 6.804,1045 3.378,1046 6.885,1047 0.405,1048 8.427,1049 0.853,1050 5.493,1051 6.365,1052 4.624,1053 9.837,1054 5.36,1055 8.174,1056 -0.293,1057 10.1,1058 0.618,1059 5.771,1060 6.808,1061 5.043,1062 11.464,1063 5.671,1064 9.496,1065 -0.585,1066 11.815,1067 -0.622,1068 7.261,1069 8.612,1070 6.323,1071 13.999,1072 7.103,1073 10.839,1074 -0.615,1075 13.557,1076 -0.883,1077 7.943,1078 9.405,1079 7.025,1080 15.976,1081 7.808,1082 12.198,1083 -0.766,1084 15.321,1085 -1.057,1086 9.187,1087 10.999,1088 8.12,1089 18.336,1090 9.014,1091 2.939,1092 -0.925,1093 17.1,1094 -1.607,1095 10.066,1096 11.972,1097 8.953,1098 20.467,1099 9.901,1100 2.686,1101 9.611,1102 18.891,1103 -2.356,1104 11.204,1105 13.46,1106 9.969,1107 22.763,1108 11.014,1109 2.095,1110 7.687,1111 20.693,1112 3.669,1113 12.177,1114 14.537,1115 10.865,1116 24.963,1117 11.985,1118 2.026,1119 5.841,1120 22.502,1121 3.332,1122 13.269,1123 15.961,1124 11.848,1125 27.234,1126 13.059,1127 1.495,1128 5.288,1129 24.318,1130 2.617,1131 14.288,1132 17.106,1133 12.776,1134 29.465,1135 14.071,1136 1.246,1137 3.366,1138 26.14,1139 2.491,1140 15.363,1141 18.487,1142 13.745,1143 31.729,1144 15.13,1145 1.057,1146 2.662,1147 27.967,1148 1.791,1149 16.404,1150 19.678,1151 14.69,1152 33.975,1153 16.161,1154 4734,1155 8020,1156 13.811,1157 28.409,1158 30.884,1159 32.472,1160 32.798,1161 30.622,1162 30.616,1163 37.036,1164 12.833,1165 78.794,1166 29.29,1167 5.058,1168 6.02,1169 6.153,1170 4.983,1171 4.939,1172 6.669,1173 4.455,1174 16.095,1175 4.899,1176 13.289,1177 1.404,1178 1.476,1179 1.491,1180 1.392,1181 1.392,1182 1.683,1183 0.583,1184 3.582,1185 1.331,1186 3.942,1187 3.966,1188 3.873,1189 3.865,1190 7.446,1191 3.862,1192 3.791,1193 3.806,1194 3.723,1195 3.611,1196 7.417,1197 3.631,1198 3.51,1199 3.566,1200 3.357,1201 3.275,1202 4.846,1203 3.274,1204 3.47,1205 3.538,1206 3.292,1207 3.27,1208 4.491,1209 3.261,1210 3.381,1211 3.461,1212 3.177,1213 3.225,1214 4.434,1215 3.202,1216 3.203,1217 3.244,1218 3.036,1219 2.963,1220 4.345,1221 2.979,1222 2.956,1223 2.943,1224 2.859,1225 2.688,1226 3.991,1227 2.677,1228 2.83,1229 2.888,1230 2.683,1231 2.592,1232 3.746,1233 2.655,1234 0.188,1235 0.183,1236 0.29,1237 0.179,1238 0.134,1239 4.132,1240 0.167,1241 4.02,1242 0.12,1243 6.382,1244 0.437,1245 3.931,1246 0.132,1247 2.939,1248 3.669,1249 2.643,1250 9.611,1251 2.899,1252 1.916,1253 1.891,1254 2.046,1255 2.016,1256 1.222,1257 2.025,1258 1.708,1259 1.685,1260 1.895,1261 1.915,1262 1.182,1263 1.902,1264 1.476,1265 1.409,1266 1.8,1267 1.738,1268 0.937,1269 1.756,1270 1.457,1271 1.387,1272 1.782,1273 1.696,1274 0.936,1275 1.726,1276 1.411,1277 1.335,1278 1.719,1279 1.61,1280 0.831,1281 1.651,1282 1.127,1283 1.087,1284 1.359,1285 1.41,1286 0.518,1287 1.396,1288 0.834,1289 0.775,1290 1.144,1291 1.146,1292 0.24,1293 1.077,1294 0.766,1295 0.732,1296 1.068,1297 1.031,1298 0.151,1299 1.067,1300 3.807,1302 5.03,1304 6.45,1306 7.963,1308 9.523,1310 5.469,1315 1.858,1318 15.451,1320 -0.936,1326 26.896,1327 62.948,1328 133.381,1329 188.045,1330 209.819,1331 209.819,1332 209.819,1333 68.198,1334 5.932,1335 61.83,1336 61.83,1337 6,1338 11.678,1339 3.17,1340 2.585,1341 57.894,1342 78,1343 74,1344 0.361,1345 171.791,1346 310.15,1347 410.93,1348 2292,1350 16.372,1351 0.744,1352 0.612,1353 16.372,1354 13.464,1355 10.617,1356 0.483,1357 0.349,1358 7.54,1359 10.051,1360 7.309,1361 6.116,1362 10.617,1363 7.668,1364 8.434,1365 0.312,1366 0.174,1367 8.434,1368 4.695,1369 6.568,1370 0.205,1371 0.098,1372 6.568,1373 3.124,1374 5.146,1375 0.143,1376 0.055,1377 5.146,1378 1.967,1379 3.296,1380 0.092,1381 0.032,1382 3.296,1383 1.163,1384 0.569,1385 67.581,1386 0.269,1387 22.004,1388 0.979,1389 98,1390 370.678,1391 113.278,1392 333.052,1393 433.2,1394 312,1395 108,1396 293.636,1397 121.289,1398 286.21,1399 415.56,1400 270,1401 4.225}
{0 CHEMBL1582834,1 1.775,2 10.308,3 4.453,4 19.831,5 103.989,6 8.875,7 0.393,8 3.891,9 3.974,10 3.674,11 3.526,12 5.089,13 3.465,14 4.389,15 4.521,16 4.059,17 3.897,18 5.555,19 3.815,20 4.626,21 4.79,22 4.201,23 3.958,24 5.925,25 3.886,26 4.639,27 4.811,28 4.104,29 3.93,30 5.911,31 3.83,32 4.57,33 4.749,34 4.037,35 3.925,36 5.802,37 3.764,38 4.506,39 4.654,40 3.912,41 3.859,42 5.791,43 3.737,44 4.539,45 4.717,46 3.797,47 3.814,48 5.813,49 3.693,50 4.411,51 4.592,52 3.7,53 3.726,54 5.607,55 3.622,56 0.107,57 0.614,58 7.727,59 4.472,60 17.043,61 4.699,62 0.244,63 1.047,64 18.797,65 7.803,66 22.184,67 8.527,68 0.482,69 1.235,70 25.566,71 9.494,72 65.811,73 10.227,74 0.557,75 1.244,76 26.715,77 9.697,78 74.84,79 9.644,80 0.593,81 1.196,82 33.091,83 10.927,84 84.709,85 10.588,86 0.458,87 1.082,88 25.465,89 9.545,90 76.755,91 9.508,92 0.553,93 1.12,94 29.422,95 9.686,96 90.002,97 9.712,98 0.359,99 0.959,100 21.542,101 8.208,102 42.247,103 9.293,104 29,105 39,106 0.308,107 0.68,108 0.825,109 0.88,110 0.888,111 0.896,112 3.304,113 1.075,114 -3.27,115 -3.26,116 -3.12,120 40.9,121 1,122 2,126 2,143 4,144 1,145 3,152 1,153 1,158 1,159 1,160 1,174 5,176 2,177 5,182 2,185 4,189 7,193 1,194 4,197 2,200 1,201 7,206 2,209 4,213 2,214 4,217 1,222 4,227 6,230 1,232 1,235 3,239 1,240 5,245 1,247 4,252 4,255 2,260 7,264 2,267 2,271 7,274 1044,275 17.422,276 17.422,277 17.422,278 17.422,279 17.422,280 15.63,281 16.777,282 10.279,283 17.967,284 13.727,285 13.727,286 13.727,287 13.727,288 13.727,289 10.896,290 16.958,291 4.785,292 14.644,293 3.684,294 1.538,295 0.699,296 0.381,297 0.335,298 0.29,299 3.981,306 1,307 1,308 566,309 3.464,312 66.501,313 157.839,316 114.654,320 1.385,321 39.097,324 1,325 1,326 1,327 0.8,328 0.5,329 0.83,330 1,331 0.88,332 57,333 268,334 4.513,335 4.579,336 6.771,337 4.139,338 3.208,339 4.094,340 3.858,341 11.043,342 2.986,343 4.292,344 3.766,345 6.133,346 3.906,347 2.915,348 3.939,349 1.573,350 8.926,351 2.893,352 3.862,353 3.536,354 5.986,355 3.491,356 2.554,357 3.205,358 1.129,359 8.383,360 2.421,361 3.782,362 3.005,363 5.748,364 3.408,365 2.47,366 3.082,367 0.497,368 7.524,369 2.273,370 3.483,371 2.778,372 5.276,373 3.002,374 2.074,375 2.688,376 0.217,377 6.315,378 1.89,379 2.861,380 2.677,381 4.269,382 2.554,383 1.574,384 1.961,386 3.921,387 1.532,388 2.815,389 1.955,390 4.066,391 2.406,392 1.427,393 1.897,395 3.516,396 1.384,397 2.674,398 1.89,399 3.99,400 2.37,401 1.414,402 1.689,404 3.245,405 1.344,406 2.524,407 1.707,408 3.669,409 2.011,410 1.139,411 1.521,413 2.641,414 0.977,415 2.289,416 1.432,417 3.418,418 1.841,419 0.956,420 1.19,422 2.223,423 0.818,424 1.917,425 1.301,426 3.118,427 1.508,428 0.533,429 0.694,431 1.174,432 0.502,433 1.725,434 1.031,435 2.953,436 1.26,437 0.373,438 0.445,440 0.776,441 0.322,442 1.358,443 0.594,444 2.568,445 0.972,446 0.051,447 0.063,449 0.11,450 0.046,451 1.063,452 0.523,453 2.378,454 0.816,455 -0.18,456 -0.218,458 -0.336,459 -0.177,460 0.749,461 0.191,462 2.317,463 0.356,464 -0.541,465 -0.619,467 -1.372,468 -0.467,469 12.8,470 0.492,471 0.665,472 0.026,473 32.25,474 1.24,475 16,476 0.615,477 16.25,478 0.625,479 23.656,480 0.91,481 28,482 0.636,483 22.886,484 0.88,485 5.706,486 0.219,487 6.802,488 0.262,489 0.143,491 0.344,496 0.806,497 1.085,498 0.727,499 0.826,500 0.727,501 0.838,502 0.597,503 1.152,504 0.934,505 1.084,506 0.559,507 0.939,508 0.891,509 1.151,510 0.777,511 0.982,512 0.893,513 0.882,514 1.291,515 0.968,516 1.023,517 0.905,518 1.243,519 0.907,520 0.923,521 0.918,522 1.285,523 1.077,524 0.935,525 0.988,526 1.024,527 1.205,528 1.304,529 1.274,530 1.078,531 1.187,532 1.102,533 1.042,534 1.371,535 1.195,536 1.083,537 1.085,538 0.712,539 1.032,540 0.961,541 1.081,542 0.82,543 1.082,544 5,545 0.165,546 3.778,547 1.875,548 1.769,549 0.827,550 0.517,551 0.424,552 0.323,553 0.208,554 7573,555 25115,556 2.014,557 40.9,558 5,559 8,560 1,562 2,564 2,567 1.693,568 1.857,569 3.333,570 0.327,572 1,575 78.098,576 1.775,577 3.922,578 4.76,579 5.079,580 5.124,581 5.17,582 2.672,583 4.624,584 4.673,585 3.48,586 1130.94,587 8.109,588 14247.7,590 1,592 1,593 240.215,594 1.502,595 4.615,596 0.179,597 0.009,598 0.097,599 0.046,600 0.049,601 0.026,602 0.017,603 0.015,604 0.012,605 0.009,606 0.456,607 0.33,608 1,609 1.181,610 127.074,611 -0.105,612 -0.027,613 0.037,614 0.1,615 -0.089,616 0.058,617 0.079,618 -0.069,619 0.038,620 -0.059,621 0.036,622 0.015,623 0.074,624 -0.139,625 0.182,626 -0.015,627 0.059,628 0.071,629 -0.175,630 0.079,631 0.001,632 0.083,633 -0.12,634 0.027,635 0.022,636 0.151,637 -0.046,638 0.082,639 0.036,640 0.019,641 -0.056,642 -0.19,643 -0.213,644 -0.193,645 -0.026,646 -0.211,647 -0.107,648 -0.01,649 -0.258,650 -0.129,651 -0.022,652 -0.103,653 0.079,654 -0.073,655 -0.079,656 -0.15,657 0.014,658 -0.096,659 2.001,660 5.687,661 0.577,662 21.704,663 1.017,664 1.114,665 2.037,666 4.151,667 0.709,668 3.367,669 3.689,670 3.97,671 4.19,672 4.382,673 4.466,674 4.489,675 4.522,676 4.511,677 4.533,678 6.188,679 0.67,680 390.52,681 3.367,682 4.905,683 5.759,684 6.635,685 7.509,686 8.392,687 9.274,688 10.16,689 11.045,690 11.933,691 4.5,698 1,700 1,709 5,713 1,714 5,716 11,721 1,724 1,734 2,738 44,739 14,740 1,741 28,743 46,744 18,745 10,746 3,747 3,748 3,752 3,753 4,759 1,766 2,768 13,769 5,772 3,778 2,781 1,782 3,786 1,789 18,790 6,791 2,792 8,793 2,797 2,803 0.667,804 4,822 1,823 2,826 1,855 2,856 1,857 2,859 1,862 26,868 2,869 4,873 1,875 1,880 1,886 9.1,888 2,889 2,893 14,894 8.133,895 5.833,896 2.719,898 2.397,899 1.336,900 0.932,901 6.118,902 9.521,903 3.624,904 4.186,905 4.742,906 5.243,907 5.635,908 5.869,909 6.013,910 6.158,911 6.289,912 6.461,913 0.857,914 41,915 9.69,917 4.209,918 8.038,919 18.039,921 14.736,924 2.538,925 66,928 1,929 188.338,930 143.783,931 19.91,933 135.657,935 63.497,936 80.286,937 323.994,938 19.91,939 8.825,940 11.199,941 45.554,942 145.495,943 22.728,944 13.823,945 240.064,947 188.338,948 100.196,949 135.657,950 63.497,952 164.795,953 159.199,956 36.81,957 63.386,959 63.497,960 188.338,961 155.566,962 143.783,965 188.338,966 89.404,967 57.504,969 152.442,970 188.338,971 155.566,972 143.783,973 0.58,974 0.348,975 0.179,976 0.098,977 18,978 9,979 0.152,980 7,981 1,982 1.133,983 3.719,984 214.205,985 0.133,986 15,987 122.211,989 2,993 19.084,994 8.336,995 4.191,997 155.566,998 7.604,1002 1.371,1003 0.961,1005 85.367,1006 487.687,1007 36.5,1013 25.066,1016 4.541,1017 0.23,1020 44.734,1021 48.996,1022 0.325,1023 0.718,1024 0.872,1025 0.93,1026 0.939,1027 0.947,1028 4.866,1029 1.414,1030 5.753,1031 3.516,1032 4.369,1033 4.871,1034 3.629,1035 6.578,1036 4.25,1037 6.071,1038 1.139,1039 7.33,1040 3.245,1041 4.007,1042 4.705,1043 2.048,1044 7.522,1045 3.864,1046 7.383,1047 0.956,1048 9.009,1049 2.641,1050 5.979,1051 7.02,1052 6.058,1053 10.628,1054 5.761,1055 8.731,1056 0.533,1057 10.747,1058 2.223,1059 6.447,1060 7.682,1061 4.991,1062 12.381,1063 6.195,1064 10.112,1065 0.373,1066 12.522,1067 1.174,1068 7.888,1069 9.463,1070 8.695,1071 15.011,1072 7.576,1073 11.514,1074 0.051,1075 14.32,1076 0.776,1077 8.721,1078 10.495,1079 7.962,1080 17.1,1081 8.366,1082 12.933,1083 -0.18,1084 16.136,1085 0.11,1086 9.965,1087 12.064,1088 11.36,1089 19.571,1090 9.556,1091 3.208,1092 -0.541,1093 17.964,1094 -0.336,1095 10.964,1096 13.273,1097 10.874,1098 21.816,1099 10.503,1100 2.915,1101 11.043,1102 19.802,1103 -1.372,1104 12.135,1105 14.748,1106 14.029,1107 24.232,1108 11.621,1109 2.554,1110 8.926,1111 21.648,1112 4.094,1113 13.209,1114 16.047,1115 13.74,1116 26.552,1117 12.638,1118 2.47,1119 8.383,1120 23.501,1121 3.939,1122 14.357,1123 17.479,1124 16.7,1125 28.951,1126 13.729,1127 2.074,1128 7.524,1129 25.359,1130 3.205,1131 15.467,1132 18.823,1133 16.574,1134 31.309,1135 14.778,1136 1.574,1137 6.315,1138 27.223,1139 3.082,1140 16.61,1141 20.237,1142 19.372,1143 33.704,1144 15.86,1145 1.427,1146 3.921,1147 29.092,1148 2.688,1149 17.739,1150 21.605,1151 19.384,1152 36.082,1153 16.925,1154 7467,1155 13756,1156 18.205,1157 31.216,1158 42.297,1159 46.017,1160 43.937,1161 41.316,1162 41.38,1163 52.934,1164 14.548,1165 119.595,1166 38.773,1167 5.457,1168 6.579,1169 6.63,1170 5.289,1171 5.208,1172 7.094,1173 7.578,1174 18.579,1175 4.986,1176 14.658,1177 1.511,1178 1.643,1179 1.569,1180 1.476,1181 1.478,1182 1.891,1183 0.52,1184 4.271,1185 1.385,1186 3.985,1187 4.001,1188 4.268,1189 3.961,1190 7.429,1191 3.909,1192 3.918,1193 3.929,1194 3.957,1195 3.853,1196 7.425,1197 3.848,1198 3.664,1199 3.726,1200 3.8,1201 3.55,1202 6.53,1203 3.519,1204 3.469,1205 3.483,1206 3.508,1207 3.412,1208 6.402,1209 3.346,1210 3.322,1211 3.373,1212 3.279,1213 3.125,1214 4.791,1215 3.136,1216 3.004,1217 3.069,1218 3.101,1219 2.866,1220 4.471,1221 2.838,1222 2.965,1223 2.976,1224 2.837,1225 2.746,1226 4.259,1227 2.748,1228 2.927,1229 2.959,1230 2.792,1231 2.741,1232 4.117,1233 2.746,1234 0.161,1235 0.164,1236 0.242,1237 0.148,1238 0.115,1239 4.513,1240 0.146,1241 4.579,1242 0.138,1243 6.771,1244 0.394,1245 4.139,1246 0.107,1247 3.208,1248 4.094,1249 3.858,1250 11.043,1251 2.986,1252 1.894,1253 1.882,1254 1.977,1255 1.994,1256 1.268,1257 1.989,1258 1.763,1259 1.723,1260 1.971,1261 1.943,1262 1.089,1263 1.948,1264 1.601,1265 1.551,1266 1.709,1267 1.762,1268 0.882,1269 1.771,1270 1.385,1271 1.376,1272 1.544,1273 1.539,1274 0.75,1275 1.541,1276 1.361,1277 1.351,1278 1.497,1279 1.483,1280 0.682,1281 1.524,1282 1.156,1283 1.081,1284 1.312,1285 1.33,1286 0.58,1287 1.392,1288 0.883,1289 0.85,1290 1.139,1291 1.14,1292 0.236,1293 1.131,1294 0.858,1295 0.835,1296 1.019,1297 1.064,1298 0.167,1299 1.061,1300 4.043,1302 5.361,1303 2.398,1304 6.876,1305 4.595,1306 8.489,1307 6.605,1308 10.156,1310 2.051,1314 18.89,1315 2.446,1319 1.206,1321 1.634,1326 29.491,1327 78.098,1328 172.552,1329 209.46,1330 223.46,1331 225.46,1332 227.46,1333 66.63,1334 7.124,1335 92.42,1336 145.96,1337 17,1338 12.464,1339 3.907,1340 3.248,1341 44.265,1342 95,1343 96,1344 0.224,1345 189.669,1346 334.14,1347 454.551,1348 11400,1350 18.681,1351 0.719,1352 0.607,1353 19.389,1354 15.77,1355 12.507,1356 0.447,1357 0.358,1358 8.234,1359 11.187,1360 7.869,1361 6.534,1362 13.415,1363 10.035,1364 11.098,1365 0.285,1366 0.195,1367 12.206,1368 7.614,1369 9.607,1370 0.185,1371 0.111,1372 11.061,1373 5.764,1374 7.45,1375 0.115,1376 0.064,1377 8.997,1378 4.156,1379 5.803,1380 0.073,1381 0.036,1382 7.165,1383 2.86,1384 0.35,1385 87.381,1386 0.234,1387 25.016,1388 0.621,1389 134,1390 446.781,1391 193.06,1392 468.119,1393 621.76,1394 434,1395 158,1396 414.129,1397 213.664,1398 443.438,1399 654.19,1400 416,1401 4.498}
{0 CHEMBL1583698,1 1.472,2 7.263,3 3.636,4 13.218,5 77.916,6 7.822,7 0.6,8 3.614,9 3.728,10 3.218,11 3.254,12 4.707,13 3.198,14 4.113,15 4.267,16 3.48,17 3.604,18 5.182,19 3.51,20 4.378,21 4.588,22 3.559,23 3.684,24 5.432,25 3.569,26 4.394,27 4.633,28 3.407,29 3.66,30 5.274,31 3.517,32 4.419,33 4.653,34 3.556,35 3.694,36 5.427,37 3.573,38 4.402,39 4.619,40 3.616,41 3.709,42 5.526,43 3.585,44 4.317,45 4.531,46 3.491,47 3.588,48 5.469,49 3.433,50 4.081,51 4.341,52 2.987,53 3.216,54 5.095,55 2.982,56 0.018,57 0.439,58 6.603,59 3.206,60 5.2,61 4.273,62 0.112,63 0.699,64 13.718,65 5.502,66 16.084,67 7.353,68 0.268,69 0.9,70 18.901,71 6.93,72 42.567,73 9.302,74 0.119,75 0.911,76 19.401,77 7.513,78 25.253,79 10.298,80 0.16,81 0.917,82 20.734,83 7.564,84 30.478,85 10.141,86 0.159,87 0.863,88 21.66,89 7.701,90 34.46,91 10.056,92 0.168,93 0.752,94 21.055,95 7.31,96 40.026,97 9.327,98 0.171,99 0.558,100 20.241,101 6.136,102 35.088,103 7.918,104 8,105 25,106 0.271,107 0.524,108 0.626,109 0.727,110 0.798,111 0.829,112 3.01,113 1.015,114 -4.82,115 -4.73,116 -4.44,120 45.7,122 1,126 1,128 1,143 10,144 2,159 1,174 13,180 1,182 2,185 15,189 1,194 4,197 11,201 2,206 4,209 7,214 3,219 3,222 11,227 4,232 1,235 13,240 3,247 12,252 1,260 7,271 2,274 506,275 13.06,276 13.06,277 13.06,278 13.06,279 13.06,280 11.428,281 11.338,282 8.164,283 13.15,284 9.848,285 9.848,286 9.848,287 9.848,288 9.848,289 7.486,290 12.545,291 3.864,292 10.026,293 3.657,294 2.287,295 1.735,296 1.186,297 0.8,298 0.629,299 3.671,300 1,305 1,306 1,307 1,308 283,309 3.162,313 136.308,320 1.014,321 13.234,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39.833,333 138,334 4.128,335 3.645,336 6.185,337 3.885,338 2.901,339 3.587,340 2.093,341 9.252,342 2.854,343 3.852,344 3.117,345 5.322,346 3.443,347 2.444,348 3.412,349 0.627,350 6.89,351 2.44,352 3.616,353 2.61,354 5.006,355 3.257,356 2.265,357 2.824,358 0.313,359 5.926,360 2.218,361 3.113,362 1.921,363 4.287,364 2.736,365 1.744,366 2.3,368 4.101,369 1.725,370 2.875,371 1.857,372 3.6,373 2.432,374 1.433,375 2.035,377 3.047,378 1.432,379 2.5,380 1.524,381 3.442,382 2.011,383 1.034,384 1.5,386 2.486,387 1.002,388 2.5,389 1.178,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 2.366,398 1,399 3.247,400 2,401 1,402 1.323,404 2.136,405 1,406 1.494,407 1,408 2.821,409 1.068,410 0.354,411 0.377,413 0.517,414 0.199,415 1.139,416 0.438,417 2.475,418 0.799,419 -0.156,420 -0.188,422 -0.362,423 -0.144,424 0.8,425 -0.014,426 1.869,427 0.418,428 -0.591,429 -0.755,431 -1.367,432 -0.58,433 0.55,434 -0.398,435 1.555,436 0.139,437 -0.866,438 -1.153,440 -1.94,441 -0.865,442 0.5,443 -0.791,444 1.555,446 -1,447 -1.5,449 -2.347,450 -1,451 0.5,452 -1,453 1.528,455 -1,456 -1.5,458 -2.347,459 -1,460 0.063,461 -1,462 1.12,463 -0.293,464 -1.281,465 -1.665,467 -2.9,468 -1.26,469 9.448,470 0.497,471 0.294,472 0.015,473 24.5,474 1.289,475 13.5,476 0.711,477 11,478 0.579,479 12.953,480 0.682,481 19.952,482 0.57,483 15.795,484 0.831,485 5.021,486 0.264,487 4.271,488 0.225,489 0.111,491 0.212,496 0.602,497 1.077,498 0.638,499 0.889,500 0.557,501 0.889,502 0.708,503 1.187,504 1.011,505 1.145,506 0.677,507 1.128,508 0.806,509 1.072,510 0.761,511 1.015,512 0.948,513 1.046,514 0.699,515 1.119,516 0.761,517 1.007,518 0.698,519 1.018,520 0.987,521 0.945,522 0.782,523 0.855,524 0.958,525 0.868,526 1.165,527 0.934,528 0.989,529 0.945,530 1.149,531 0.933,532 1.406,533 1.003,534 1.19,535 1.053,536 1.519,537 1.065,538 1.428,539 0.921,540 1.558,541 1.127,542 1.382,543 1.109,544 3,546 1.333,547 0.75,548 0.662,549 0.521,550 0.226,551 0.186,552 0.106,553 0.016,554 3000,555 8977,556 2.025,557 45.7,559 13,562 1,564 2,567 1.61,568 1.932,569 2.884,570 -0.353,572 1,574 1,575 51.525,576 1.472,577 2.842,578 3.394,579 3.943,580 4.329,581 4.501,582 2.215,583 3.682,584 4.219,585 3.008,586 514.338,587 7.221,588 5257.13,589 1,590 1,591 1,592 1,593 179.525,594 1.19,595 4.196,596 0.15,598 0.053,599 0.031,600 0.03,601 0.021,602 0.009,603 0.01,604 0.012,605 0.008,606 0.324,607 0.67,608 1,609 1.236,610 82.053,611 -0.029,612 0.018,613 0.006,614 0.027,615 -0.044,616 0.028,617 0.048,618 -0.139,619 -0.176,620 -0.206,621 -0.027,622 -0.195,623 0.125,624 -0.037,625 -0.013,626 -0.101,627 0.017,628 -0.116,629 -0.001,630 -0.125,631 -0.006,632 -0.073,633 -0.02,634 -0.051,635 -0.043,636 0.056,637 0.064,638 0.087,639 0.007,640 0.091,641 -0.065,642 0.029,643 0.016,644 0.032,645 0.015,646 0.035,647 -0.123,648 -0.09,649 -0.046,650 -0.046,651 -0.087,652 -0.087,653 -0.147,654 -0.069,655 -0.127,656 -0.063,657 -0.131,658 -0.082,659 1.813,660 4.543,661 0.632,662 12.981,663 0.995,664 1.114,665 3.589,666 12.878,667 0.697,668 3.045,669 3.258,670 3.434,671 3.611,672 3.807,673 3.689,674 3.714,675 3.664,676 3.555,677 3.219,678 4.765,679 0.651,680 273.78,681 3.045,682 4.511,683 5.303,684 6.125,685 6.94,686 7.772,687 8.597,688 9.432,689 10.261,690 11.099,691 2.9,698 1,709 10,714 2,716 12,738 35,739 13,740 2,741 20,743 36,744 16,745 12,746 2,747 10,750 1,752 2,753 2,754 1,759 1,766 2,768 13,769 3,772 1,778 1,782 1,785 1,786 1,789 16,790 2,791 1,792 3,793 1,797 1,803 1,804 1,823 2,838 1,855 2,860 1,862 19,869 2,871 1,874 1,885 1,886 2.9,889 1,893 9.833,894 5.976,895 4.444,896 1.981,898 1.925,899 1.325,900 0.954,901 5.135,902 7.855,903 3.332,904 3.807,905 4.241,906 4.689,907 5.174,908 4.989,909 5.277,910 5.542,911 5.82,912 5.844,913 0.8,914 24,915 7,917 2.839,918 7.76,919 13.397,921 10.567,924 2.26,925 42.944,926 0.001,929 176.567,930 111.222,931 18.011,932 39.149,933 25.145,936 111.222,937 240.86,938 18.011,940 23.395,941 94.762,942 29.85,943 6.371,945 215.715,947 176.567,948 129.233,949 25.145,950 39.149,952 153.024,953 48.687,956 23.395,957 105.838,958 39.149,960 176.567,961 43.156,962 150.371,965 176.567,966 16.46,967 94.762,968 18.011,969 64.294,970 176.567,971 43.156,972 150.371,973 0.55,974 0.309,975 0.162,976 0.096,977 10,978 4,979 0.111,980 4,982 1,983 3.166,984 128.542,986 12,987 72.711,993 13.787,994 7.076,995 4.196,997 43.156,998 20.044,1003 2.274,1005 18.011,1006 370.093,1007 27,1013 11.543,1017 -0.147,1020 34.822,1021 38.973,1022 0.287,1023 0.554,1024 0.662,1025 0.769,1026 0.844,1027 0.877,1028 4.489,1029 1,1030 5.22,1031 2.136,1032 3.932,1033 4.489,1034 2.274,1035 5.905,1036 3.9,1037 5.629,1038 0.354,1039 6.693,1040 2.136,1041 3.219,1042 3.829,1043 1.593,1044 6.555,1045 3.214,1046 6.87,1047 -0.156,1048 8.268,1049 0.517,1050 5.389,1051 6.491,1052 3.364,1053 9.63,1054 5.332,1055 8.141,1056 -0.591,1057 9.906,1058 -0.362,1059 5.525,1060 6.589,1061 3.32,1062 11.167,1063 5.468,1064 9.442,1065 -0.866,1066 11.587,1067 -1.367,1068 7.112,1069 8.733,1070 4.676,1071 13.715,1072 7.031,1073 10.762,1074 -1,1075 13.298,1076 -1.94,1077 7.676,1078 9.215,1079 4.946,1080 15.629,1081 7.58,1082 12.099,1083 -1,1084 15.031,1085 -2.347,1086 8.986,1087 11.086,1088 6.064,1089 17.981,1090 8.876,1091 2.901,1092 -1.281,1093 16.781,1094 -2.347,1095 9.779,1096 11.799,1097 6.511,1098 20.065,1099 9.648,1100 2.444,1101 9.252,1102 18.544,1103 -2.9,1104 10.952,1105 13.498,1106 7.486,1107 22.339,1108 10.81,1109 2.265,1110 6.89,1111 20.316,1112 3.587,1113 11.87,1114 14.366,1115 8.041,1116 24.5,1117 11.706,1118 1.744,1119 5.926,1120 22.097,1121 3.412,1122 12.978,1123 15.944,1124 8.928,1125 26.744,1126 12.802,1127 1.433,1128 4.101,1129 23.884,1130 2.824,1131 13.963,1132 16.922,1133 9.55,1134 28.94,1135 13.765,1136 1.034,1137 3.047,1138 25.677,1139 2.3,1140 15.042,1141 18.414,1142 10.383,1143 31.172,1144 14.83,1145 1,1146 2.486,1147 27.474,1148 2.035,1149 16.062,1150 19.471,1151 11.047,1152 33.383,1153 15.829,1154 3062,1155 5365,1156 13.405,1157 24.409,1158 28.589,1159 29.781,1160 29.315,1161 28.204,1162 28.348,1163 37.715,1164 6.068,1165 72.982,1166 27.738,1167 5.006,1168 5.645,1169 5.987,1170 4.885,1171 4.901,1172 6.587,1173 3.761,1174 15.523,1175 4.854,1176 7.44,1177 1.429,1178 1.489,1179 1.466,1180 1.41,1181 1.417,1182 1.886,1183 0.303,1184 3.649,1185 1.387,1186 3.984,1187 4.017,1188 3.925,1189 3.919,1190 7.429,1191 3.913,1192 3.85,1193 3.882,1194 3.793,1195 3.796,1196 4.788,1197 3.787,1198 3.597,1199 3.634,1200 3.766,1201 3.404,1202 4.718,1203 3.416,1204 3.293,1205 3.345,1206 3.297,1207 3.171,1208 4.66,1209 3.154,1210 2.872,1211 2.939,1212 2.949,1213 2.759,1214 4.073,1215 2.744,1216 2.854,1217 2.925,1218 2.7,1219 2.735,1220 3.674,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.674,1227 2.715,1228 2.657,1229 2.732,1230 2.687,1231 2.433,1232 3.637,1233 2.424,1234 0.206,1235 0.182,1236 0.309,1237 0.194,1238 0.145,1239 4.128,1240 0.179,1241 3.645,1242 0.105,1243 6.185,1244 0.463,1245 3.885,1246 0.143,1247 2.901,1248 3.587,1249 2.093,1250 9.252,1251 2.854,1252 1.964,1253 1.934,1254 2.088,1255 2.053,1256 1.291,1257 2.066,1258 1.864,1259 1.835,1260 1.994,1261 1.943,1262 1.064,1263 1.962,1264 1.508,1265 1.466,1266 1.675,1267 1.733,1268 0.823,1269 1.722,1270 1.281,1271 1.234,1272 1.495,1273 1.456,1274 0.707,1275 1.487,1276 0.886,1277 0.827,1278 1.181,1279 1.066,1280 0.292,1281 1.107,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.884,1289 0.821,1290 1.144,1291 1.062,1292 0.218,1293 1.102,1294 0.608,1295 0.525,1296 0.939,1297 0.884,1298 0.016,1299 0.913,1300 3.714,1302 4.949,1304 6.385,1306 7.904,1308 9.465,1311 5.574,1315 0.742,1317 2.961,1320 -0.046,1326 22.778,1327 51.525,1328 99.477,1329 118.796,1330 138.015,1331 151.525,1332 157.525,1333 30.553,1334 5.93,1335 29.1,1336 29.1,1337 12,1338 11.668,1339 3.807,1340 3,1341 33.317,1342 50,1343 52,1344 0.309,1345 148.093,1346 255.36,1347 353.106,1348 2190,1349 2.9,1350 13.502,1351 0.711,1352 0.595,1353 14.002,1354 11.307,1355 9.292,1356 0.465,1357 0.338,1358 6.246,1359 8.845,1360 6.035,1361 5.026,1362 9.646,1363 6.77,1364 7.647,1365 0.306,1366 0.185,1367 7.851,1368 4.621,1369 6.079,1370 0.203,1371 0.106,1372 6.428,1373 3.184,1374 4.621,1375 0.128,1376 0.058,1377 4.705,1378 2.097,1379 3.786,1380 0.086,1381 0.034,1382 3.893,1383 1.477,1384 0.468,1385 60.627,1386 0.273,1387 18.94,1388 0.901,1389 90,1390 248.272,1391 105.884,1392 273.634,1393 354.4,1394 256,1395 100,1396 222.04,1397 112.44,1398 234.835,1399 335.22,1400 220,1401 4.766}
{0 CHEMBL1583768,1 1.559,2 8.25,3 4.121,4 16.979,5 113.349,6 7.464,7 0.516,8 4.06,9 4.174,10 3.683,11 3.642,12 5.086,13 3.588,14 4.624,15 4.804,16 4.073,17 4.038,18 5.575,19 3.963,20 4.843,21 5.057,22 4.099,23 4.162,24 5.765,25 4.049,26 4.93,27 5.151,28 4.099,29 4.154,30 5.961,31 4.023,32 4.899,33 5.141,34 4.028,35 4.098,36 5.845,37 3.981,38 4.86,39 5.068,40 4.172,41 4.161,42 5.886,43 4.065,44 4.895,45 5.07,46 4.21,47 4.271,48 5.94,49 4.152,50 4.981,51 5.192,52 3.958,53 4.259,54 5.925,55 4.112,56 0.018,57 0.769,58 11.674,59 5.233,60 7.629,61 6.707,62 0.284,63 1.311,64 24.171,65 8.428,66 20.533,67 11.226,68 0.197,69 1.546,70 30.844,71 11.433,72 25.379,73 14.903,74 0.554,75 1.631,76 37.983,77 12.708,78 59.394,79 15.971,80 0.313,81 1.574,82 35.56,83 11.874,84 43.813,85 15.322,86 0.525,87 1.564,88 34.566,89 11.073,90 48.393,91 13.928,92 0.232,93 1.627,94 34.685,95 13.102,96 41.617,97 15.762,98 0.467,99 1.724,100 42.284,101 14.285,102 58.647,103 17.375,104 11,105 43,106 0.259,107 0.562,108 0.747,109 0.865,110 0.89,111 0.89,112 3.375,113 1.016,114 -4.67,115 -4.59,116 -4.32,120 41.5,122 3,125 2,126 2,128 1,143 8,144 1,145 1,147 1,153 1,159 1,163 1,174 8,176 2,177 11,185 8,189 6,197 6,200 4,201 13,209 4,214 6,222 2,226 3,227 10,235 10,240 6,247 11,251 1,252 7,260 11,264 6,271 13,274 1416,275 19.284,276 19.284,277 19.284,278 19.284,279 19.284,280 17.353,281 22.128,282 11.371,283 19.878,284 15.226,285 15.226,286 15.226,287 15.226,288 15.226,289 12.243,290 31.815,291 5.273,292 16.132,293 4.169,294 2.344,295 1.227,296 0.519,297 0.368,298 0.368,299 4.071,306 1,307 1,308 500,309 3.536,312 145.591,313 180.963,316 120.078,320 1.25,321 21.567,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59.5,333 231,334 4.523,335 3.754,336 6.737,337 4.121,338 3.179,339 4.416,340 1.2,341 10.918,342 3.029,343 4.347,344 3.072,345 6.294,346 3.87,347 2.928,348 3.959,349 0.86,350 9.562,351 2.726,352 3.858,353 3.034,354 6.04,355 3.763,356 2.816,357 3.159,358 0.8,359 8.609,360 2.666,361 3.776,362 2.847,363 5.947,364 3.458,365 2.521,366 2.81,367 0.293,368 8.272,369 2.349,370 3.27,371 2.437,372 5.005,373 2.794,374 1.843,375 2.537,377 5.367,378 1.734,379 3.032,380 1.748,381 4.414,382 2.517,383 1.556,384 2.298,386 4.312,387 1.493,388 2.917,389 1.688,390 4.313,391 2.46,392 1.532,393 2.088,395 3.954,396 1.437,397 2.894,398 1.532,399 4.113,400 2.459,401 1.486,402 2.054,404 3.448,405 1.404,406 2.617,407 1.463,408 3.678,409 2.358,410 1.383,411 1.641,413 3.056,414 1.341,415 2.477,416 1.318,417 3.593,418 2.109,419 1.145,420 1.441,422 2.805,423 1.101,424 2.141,425 1.226,426 3.472,427 2.063,428 1.093,429 1.132,431 2.428,432 1.048,433 2.018,434 1.122,435 3.387,436 1.762,437 0.767,438 0.908,440 1.844,441 0.756,442 1.847,443 0.939,444 3,445 1.341,446 0.456,447 0.521,449 0.86,450 0.399,451 1.638,452 0.375,453 2.907,454 1.241,455 0.347,456 0.516,458 0.715,459 0.304,460 1.217,461 0.347,462 2.677,463 1.012,464 0.037,465 0.042,467 0.088,468 0.035,469 13.7,470 0.489,471 0.589,472 0.021,473 34.75,474 1.241,475 16.5,476 0.589,477 18.25,478 0.652,479 25.987,480 0.928,481 30.1,482 0.568,483 24.994,484 0.893,485 6.598,486 0.236,487 7.071,488 0.253,489 0.097,491 0.314,496 0.76,497 1.351,498 0.764,499 1.043,500 0.567,501 0.987,502 1.033,503 1.022,504 0.849,505 0.871,506 0.641,507 0.861,508 0.973,509 1.101,510 0.914,511 0.987,512 0.769,513 0.969,514 1.077,515 1.054,516 1.142,517 1.102,518 1.322,519 1.013,520 1.253,521 1.025,522 0.976,523 0.922,524 1.484,525 0.852,526 1.411,527 0.798,528 1.053,529 0.853,530 1.629,531 0.812,532 1.286,533 1.205,534 1.249,535 1.229,536 1.59,537 1.115,538 1.366,539 1.004,540 1.596,541 1.274,542 1.686,543 1.123,544 4.5,545 0.082,546 3.556,547 2.236,548 1.374,549 0.934,550 0.566,551 0.613,552 0.372,553 0.179,554 9151,555 21255,556 2.115,557 47.2,559 19,564 4,565 2,567 1.72,568 2,569 3.037,570 -0.778,572 1,575 82.621,576 1.559,577 3.384,578 4.501,579 5.209,580 5.36,581 5.36,582 2.405,583 4.111,584 4.78,585 3.278,586 1238.99,587 8.365,588 16579,590 1,592 1,593 303.58,594 1.333,595 4.748,596 0.145,597 0.005,598 0.083,599 0.052,600 0.034,601 0.023,602 0.013,603 0.013,604 0.009,605 0.005,606 0.383,607 0.17,608 1,609 0.689,610 138.127,611 0.014,612 -0.214,613 0.086,614 -0.044,615 0.009,616 -0.01,617 0.027,618 0.09,619 0.109,620 0.1,621 0.037,622 0.085,623 -0.034,624 -0.063,625 0.058,626 -0.005,627 0.08,628 0.002,629 0.179,630 -0.029,631 -0.011,632 -0.059,633 0.142,634 -0.048,635 -0.073,636 -0.02,637 0.077,638 0.063,639 -0.033,640 0.108,641 -0.026,642 0.278,643 0.057,644 0.165,645 -0.072,646 0.13,647 -0.122,648 -0.154,649 -0.104,650 -0.115,651 -0.096,652 -0.125,653 -0.213,654 0.036,655 -0.379,656 -0.147,657 -0.27,658 -0.132,659 1.725,660 6.487,661 0.714,662 24.143,663 0.995,664 1.121,665 3.443,666 11.854,667 0.678,668 3.466,669 3.784,670 4.094,671 4.344,672 4.477,673 4.564,674 4.718,675 4.844,676 4.927,677 4.963,678 5.861,679 0.632,680 395.57,681 3.466,682 5.004,683 5.866,684 6.744,685 7.621,686 8.505,687 9.388,688 10.276,689 11.163,690 12.053,691 5.7,694 1,698 1,701 1,708 2,709 8,710 1,713 1,714 3,716 16,724 1,735 1,738 53,739 17,740 2,741 31,743 56,744 22,745 13,746 4,747 8,748 1,752 4,753 5,763 3,766 4,768 14,769 8,772 1,778 1,782 1,786 1,789 25,790 5,792 6,793 1,797 3,803 0.75,804 2,819 1,822 2,823 2,826 1,851 1,855 3,857 1,859 2,862 28,869 5,872 1,874 1,875 2,879 1,886 3.8,889 1,891 1,893 14,894 10.1,895 6.25,896 3.271,898 2.691,899 1.37,900 0.984,901 5.931,902 9.959,903 3.714,904 4.287,905 4.888,906 5.458,907 5.91,908 6.158,909 6.55,910 6.899,911 7.008,912 7.323,913 1,914 43,915 10.407,917 4.408,918 7.577,919 20.31,921 16.891,924 2.077,925 58.167,927 1,928 1,929 294.278,930 154.706,931 23.034,933 36.145,935 31.278,936 123.429,937 330.422,938 23.034,939 19.279,940 14.939,941 75.81,942 46.635,943 25.198,944 0.746,945 325.555,947 294.278,948 146.463,949 36.145,950 31.278,952 223.651,953 106.771,956 20.709,957 108.969,958 16.786,959 31.278,960 294.278,961 59.179,962 154.706,965 294.278,966 59.617,967 101.338,969 52.93,970 294.278,971 59.179,972 154.706,973 0.577,974 0.354,975 0.193,976 0.094,977 21,978 9,979 0.107,980 6,981 1,982 1.1,983 3.919,984 249.632,985 0.1,986 20,987 132.606,989 1,993 19.347,994 8.583,995 4.087,996 2.02,997 59.179,998 15.425,999 4.749,1002 1.565,1003 1.915,1006 508.163,1007 40,1013 13.487,1017 -0.058,1020 52.756,1021 59.401,1022 0.272,1023 0.591,1024 0.786,1025 0.909,1026 0.936,1027 0.936,1028 4.949,1029 1.486,1030 5.844,1031 3.954,1032 4.466,1033 4.973,1034 1.844,1035 6.666,1036 4.355,1037 6.133,1038 1.383,1039 7.41,1040 3.448,1041 4.007,1042 4.718,1043 0.57,1044 7.597,1045 3.816,1046 7.432,1047 1.145,1048 9.081,1049 3.056,1050 6.066,1051 7.153,1052 1.806,1053 10.714,1054 5.844,1055 8.771,1056 1.093,1057 10.815,1058 2.805,1059 6.494,1060 7.8,1061 0.801,1062 12.489,1063 6.185,1064 10.146,1065 0.767,1066 12.587,1067 2.428,1068 7.975,1069 9.679,1070 1.913,1071 15.103,1072 7.641,1073 11.547,1074 0.456,1075 14.387,1076 1.844,1077 8.79,1078 10.75,1079 1.074,1080 17.202,1081 8.376,1082 12.967,1083 0.347,1084 16.204,1085 0.86,1086 10.048,1087 12.399,1088 2.092,1089 19.65,1090 9.604,1091 3.179,1092 0.037,1093 18.034,1094 0.715,1095 11.033,1096 13.675,1097 1.404,1098 21.888,1099 10.519,1100 2.928,1101 10.918,1102 19.874,1103 0.088,1104 12.204,1105 15.223,1106 2.32,1107 24.279,1108 11.653,1109 2.816,1110 9.562,1111 21.721,1112 4.416,1113 13.264,1114 16.597,1115 1.768,1116 26.582,1117 12.652,1118 2.521,1119 8.609,1120 23.574,1121 3.959,1122 14.403,1123 18.1,1124 2.581,1125 28.956,1126 13.75,1127 1.843,1128 8.272,1129 25.432,1130 3.159,1131 15.498,1132 19.524,1133 2.15,1134 31.293,1135 14.79,1136 1.556,1137 5.367,1138 27.294,1139 2.81,1140 16.628,1141 21.008,1142 2.867,1143 33.664,1144 15.876,1145 1.532,1146 4.312,1147 29.159,1148 2.537,1149 17.741,1150 22.456,1151 2.538,1152 36.019,1153 16.938,1154 8704,1155 13459,1156 20.978,1157 35.949,1158 46.584,1159 47.495,1160 48.121,1161 46.202,1162 46.181,1163 59.044,1164 6.306,1165 132.473,1166 43.644,1167 5.502,1168 5.754,1169 6.429,1170 5.256,1171 5.179,1172 7.416,1173 2.293,1174 18.359,1175 5.029,1176 11.595,1177 1.503,1178 1.532,1179 1.552,1180 1.49,1181 1.49,1182 1.905,1183 0.203,1184 4.273,1185 1.408,1186 4.07,1187 4.091,1188 4.323,1189 4.047,1190 7.428,1191 4.005,1192 3.927,1193 3.961,1194 3.885,1195 3.849,1196 4.969,1197 3.85,1198 3.873,1199 3.919,1200 3.758,1201 3.731,1202 4.838,1203 3.728,1204 3.543,1205 3.602,1206 3.511,1207 3.389,1208 4.397,1209 3.381,1210 3.249,1211 3.315,1212 3.298,1213 3.171,1214 4.38,1215 3.117,1216 3.243,1217 3.299,1218 3.064,1219 2.99,1220 4.307,1221 2.997,1222 3.136,1223 3.248,1224 3.029,1225 2.945,1226 3.877,1227 2.954,1228 3.128,1229 3.148,1230 2.874,1231 2.899,1232 3.713,1233 2.877,1234 0.146,1235 0.121,1236 0.217,1237 0.133,1238 0.103,1239 4.523,1240 0.142,1241 3.754,1242 0.039,1243 6.737,1244 0.352,1245 4.121,1246 0.098,1247 3.179,1248 4.416,1249 1.2,1250 10.918,1251 3.029,1252 1.901,1253 1.884,1254 2.002,1255 2.013,1256 1.326,1257 2.008,1258 1.898,1259 1.879,1260 1.98,1261 1.963,1262 1.14,1263 1.979,1264 1.715,1265 1.656,1266 1.932,1267 1.892,1268 1.1,1269 1.907,1270 1.556,1271 1.48,1272 1.829,1273 1.767,1274 1.075,1275 1.796,1276 1.427,1277 1.381,1278 1.623,1279 1.644,1280 0.84,1281 1.645,1282 1.197,1283 1.125,1284 1.573,1285 1.512,1286 0.574,1287 1.533,1288 1.14,1289 1.082,1290 1.364,1291 1.345,1292 0.521,1293 1.377,1294 1.027,1295 0.996,1296 1.23,1297 1.207,1298 0.42,1299 1.212,1300 4.143,1302 5.46,1303 3.045,1304 6.971,1305 5.352,1306 8.568,1307 7.391,1308 10.209,1310 3.767,1315 5.126,1318 5.434,1320 0.516,1321 4.221,1326 33.476,1327 82.621,1328 179.338,1329 238.56,1330 276.07,1331 284.07,1332 284.07,1333 45.344,1334 7.269,1335 45.67,1336 73.91,1337 22,1338 12.582,1339 4.17,1340 3.322,1341 41.942,1342 91,1343 89,1344 0.208,1345 208.316,1346 354.99,1347 500.05,1348 12406,1350 19.51,1351 0.697,1352 0.611,1353 19.863,1354 17.115,1355 13.669,1356 0.441,1357 0.339,1358 9.62,1359 12.762,1360 9.276,1361 7.706,1362 14.077,1363 10.495,1364 11.921,1365 0.277,1366 0.191,1367 12.564,1368 8.196,1369 10.636,1370 0.18,1371 0.11,1372 11.442,1373 6.513,1374 8.867,1375 0.117,1376 0.064,1377 9.805,1378 4.838,1379 6.476,1380 0.074,1381 0.035,1382 7.274,1383 3.022,1384 0.317,1385 89.395,1386 0.218,1387 26.256,1388 0.606,1389 148,1390 399.267,1391 186.767,1392 405.152,1393 560.75,1394 382,1395 176,1396 399.375,1397 212.971,1398 422.274,1399 622.87,1400 396,1401 6.796}
{0 CHEMBL1583837,1 1.875,2 10.357,3 4.861,4 23.628,5 89.68,6 9.667,7 0.516,8 3.881,9 3.983,10 3.634,11 3.388,12 5.175,13 3.44,14 4.455,15 4.593,16 4.133,17 3.782,18 6.204,19 3.836,20 4.687,21 4.881,22 4.158,23 3.871,24 6.098,25 3.91,26 4.699,27 4.884,28 4.209,29 3.8,30 6.31,31 3.881,32 4.665,33 4.848,34 4.173,35 3.684,36 6.38,37 3.799,38 4.552,39 4.747,40 3.854,41 3.535,42 6.103,43 3.623,44 4.338,45 4.523,46 3.781,47 3.343,48 6.248,49 3.414,50 4.108,51 4.289,52 3.541,53 3.224,54 5.645,55 3.296,56 0.348,57 1.041,58 4.08,59 3.763,60 58.743,61 3.437,62 1.086,63 1.935,64 10.78,65 6.468,66 178.369,67 6.453,68 1.176,69 1.78,70 18.767,71 7.598,72 155.748,73 8.59,74 1.377,75 2.057,76 18.626,77 7.515,78 205.499,79 7.502,80 1.483,81 1.949,82 18.955,83 7.182,84 226.396,85 6.424,86 1.468,87 1.512,88 18.618,89 6.502,90 238.14,91 4.928,92 1.33,93 1.094,94 14.64,95 4.949,96 219.636,97 4.849,98 0.778,99 1,100 10.807,101 3.964,102 115.647,103 3.578,104 38,105 47,106 0.327,107 0.711,108 0.796,109 0.864,110 0.881,111 0.881,112 3.375,113 0.822,114 -5.42,115 -5.3,116 -4.95,120 43.9,122 4,133 1,143 4,144 1,145 3,147 2,153 1,159 1,162 1,167 1,174 5,176 1,177 6,180 1,182 1,185 5,188 2,189 5,192 1,194 3,197 3,200 1,201 5,204 1,209 2,213 1,214 6,217 1,222 3,227 5,232 1,235 3,240 5,245 2,252 4,257 2,260 1,271 4,274 1092,275 18.212,276 18.212,277 18.212,278 18.212,279 18.212,280 16.2,281 17.699,282 10.352,283 18.752,284 15.32,285 15.32,286 15.32,287 15.32,288 15.32,289 12.065,290 15.225,291 4.953,292 16.337,293 3.482,294 1.287,295 0.799,296 0.409,297 0.311,298 0.311,299 4.064,306 1,307 1,308 629,309 3.808,312 47.225,313 211.983,316 88.326,317 106.969,320 1.546,321 70.1,324 0.75,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.84,332 66.5,333 290,334 4.8,335 4.484,336 7.461,337 4.413,338 3.508,339 4.677,340 3.825,341 13.254,342 3.22,343 4.293,344 3.595,345 6.352,346 3.922,347 2.977,348 3.897,349 1.058,350 9.663,351 2.836,352 4.184,353 3.218,354 6.154,355 3.762,356 2.844,357 3.705,359 9.004,360 2.645,361 3.954,362 3.167,363 6.049,364 3.641,365 2.692,366 3.225,368 8.672,369 2.449,370 3.705,371 2.707,372 5.739,373 3.299,374 2.333,375 3.057,377 7.512,378 2.229,379 3.424,380 2.667,381 5.061,382 2.995,383 2.066,384 2.734,386 5.808,387 1.897,388 3.144,389 2.113,390 4.959,391 2.725,392 1.805,393 2.334,395 5.711,396 1.63,397 2.855,398 1.88,399 4.279,400 2.446,401 1.487,402 1.986,404 3.913,405 1.427,406 2.643,407 1.688,408 4.115,409 2.387,410 1.413,411 1.621,413 3.215,414 1.354,415 2.465,416 1.4,417 3.93,418 2.126,419 1.142,420 1.45,422 3.127,423 1.12,424 2.401,425 1.354,426 3.7,427 2.073,428 1.089,429 1.378,431 2.879,432 1.059,433 1.652,434 0.838,435 3.509,436 1.341,437 0.377,438 0.47,440 1.071,441 0.361,442 1.566,443 0.569,444 2.915,445 1.185,446 0.245,447 0.306,449 0.569,450 0.224,451 1.09,452 0.51,453 2.835,454 0.704,455 -0.241,456 -0.298,458 -0.721,459 -0.226,460 0.804,461 0.51,462 2.469,463 0.367,464 -0.514,465 -0.621,467 -1.242,468 -0.426,469 12.362,470 0.441,471 1.022,472 0.036,473 34.75,474 1.241,475 16,476 0.571,477 18.75,478 0.67,479 23.713,480 0.847,481 31.438,482 0.767,483 30.042,484 1.073,485 6.884,486 0.246,487 6.352,488 0.227,489 0.143,490 0.04,491 0.396,493 3,494 2,496 0.563,497 0.922,498 0.534,499 1.01,500 0.557,501 0.868,502 0.464,503 0.883,504 0.57,505 1.083,506 0.416,507 1,508 0.651,509 0.781,510 0.762,511 0.926,512 0.67,513 0.935,514 0.879,515 0.987,516 0.846,517 1.019,518 0.872,519 0.951,520 1.173,521 1.137,522 0.998,523 1.002,524 1.17,525 0.915,526 1.597,527 1.162,528 1.507,529 0.961,530 1.578,531 1.044,532 0.91,533 0.86,534 1.08,535 0.874,536 0.933,537 1.004,538 1.096,539 0.854,540 1.071,541 0.821,542 1.096,543 0.869,544 7.5,545 0.116,546 3.778,547 2.819,548 2.689,549 1.331,550 0.855,551 0.397,552 0.307,553 0.355,554 9142,555 37431,556 2.043,557 31.7,558 6,559 4,562 1,563 2,567 1.713,568 1.856,569 3.286,570 -0.217,575 76.886,576 1.875,577 4.071,578 4.559,579 4.949,580 5.046,581 5.046,582 2.717,583 4.352,584 4.78,585 3.476,586 1314.06,587 8.323,588 16779.2,590 1,593 219.66,594 1.708,595 4.703,596 0.242,597 0.005,598 0.08,599 0.059,600 0.056,601 0.03,602 0.026,603 0.014,604 0.012,605 0.014,606 0.538,607 0.5,608 1,609 0.82,610 138.617,611 -0.025,612 -0.044,613 0.015,614 -0.011,615 -0.041,616 0.017,617 0.258,618 0.039,619 0.164,620 -0.098,621 0.285,622 -0.078,623 0.053,624 -0.006,625 0.134,626 -0.002,627 0.002,628 0.063,629 0.003,630 -0.085,631 0.085,632 -0.088,633 -0.001,634 -0.003,635 -0.099,636 -0.11,637 -0.01,638 -0.059,639 -0.082,640 -0.004,641 -0.43,642 -0.08,643 -0.477,644 -0.002,645 -0.387,646 -0.131,647 0.173,648 0.125,649 -0.065,650 0.061,651 0.17,652 -0.081,653 -0.194,654 -0.004,655 -0.141,656 0.095,657 -0.168,658 0.06,659 5.925,660 5.714,661 0.679,662 24.429,663 1.061,664 1.166,665 4.193,666 17.583,667 0.671,668 3.466,669 3.871,670 4.143,671 4.477,672 4.754,673 4.86,674 5.037,675 5.165,676 5.226,677 5.303,678 6.133,679 0.693,680 396.35,681 3.466,682 5.056,683 5.927,684 6.851,685 7.747,686 8.674,687 9.582,688 10.509,689 11.424,690 12.353,691 9.8,698 1,699 1,701 2,708 1,709 4,710 2,714 7,716 16,723 1,737 2,738 41,739 17,740 1,741 31,743 44,744 18,745 12,746 3,747 3,748 1,752 4,753 7,759 1,763 4,765 1,766 4,768 13,769 5,772 1,778 1,782 1,787 5,789 13,790 9,791 1,792 10,797 4,803 0.5,804 1,814 1,817 1,822 1,823 3,826 1,827 1,855 2,861 5,862 28,869 4,871 1,876 1,885 5,886 2.4,889 1,893 15.083,894 7.564,895 5.833,896 2.559,898 3.11,899 1.396,900 1.031,901 4.493,902 10.959,903 3.714,904 4.391,905 5.01,906 5.661,907 6.245,908 6.626,909 7.043,910 7.433,911 7.638,912 7.913,913 0.857,914 48,915 11.131,917 5.691,918 8.634,919 18.6,921 15.758,924 3.134,925 87.75,928 1,929 141.253,930 94.677,931 52.623,933 25.145,934 74.801,936 94.677,937 166.398,938 127.424,940 28.149,941 37.905,942 65.013,943 75.742,944 32.677,945 141.253,946 7.76,947 141.253,948 147.3,949 99.945,952 171.173,953 70.025,956 44.301,957 69.551,958 33.449,960 216.054,961 77.768,962 94.677,965 149.013,966 49.013,967 39.069,968 18.011,969 133.394,970 141.253,971 152.569,972 94.677,973 0.605,974 0.345,975 0.191,976 0.112,977 25,978 12,979 0.045,980 2,981 2,982 1.211,983 3.786,984 257.697,985 0.211,986 19,987 129.851,993 18.677,994 6.736,995 3.451,996 -0.113,997 151.405,998 3.647,999 7.982,1003 -3.016,1005 18.011,1006 388.499,1007 40,1013 12.347,1017 -0.929,1020 43.483,1021 47.808,1022 0.35,1023 0.76,1024 0.851,1025 0.924,1026 0.942,1027 0.942,1028 5.004,1029 1.487,1030 5.984,1031 5.711,1032 4.554,1033 5.078,1034 3.139,1035 6.889,1036 4.431,1037 6.267,1038 1.413,1039 7.608,1040 3.913,1041 4.443,1042 5.147,1043 3.903,1044 8.098,1045 4.16,1046 7.625,1047 1.142,1048 9.34,1049 3.215,1050 6.282,1051 7.378,1052 5.431,1053 11.187,1054 6.022,1055 9.017,1056 1.089,1057 11.135,1058 3.127,1059 6.929,1060 8.214,1061 6.69,1062 13.205,1063 6.511,1064 10.44,1065 0.377,1066 12.972,1067 2.879,1068 8.335,1069 9.998,1070 8.059,1071 15.91,1072 7.912,1073 11.883,1074 0.245,1075 14.838,1076 1.071,1077 9.305,1078 11.187,1079 9.388,1080 18.262,1081 8.747,1082 13.344,1083 -0.241,1084 16.728,1085 0.569,1086 10.57,1087 12.803,1088 10.734,1089 20.863,1090 9.973,1091 3.508,1092 -0.514,1093 18.636,1094 -0.721,1095 11.682,1096 14.165,1097 12.074,1098 23.353,1099 10.97,1100 2.977,1101 13.254,1102 20.559,1103 -1.242,1104 12.908,1105 15.718,1106 13.416,1107 25.932,1108 12.133,1109 2.844,1110 9.663,1111 22.496,1112 4.677,1113 14.084,1114 17.166,1115 14.758,1116 28.477,1117 13.207,1118 2.692,1119 9.004,1120 24.444,1121 3.897,1122 15.304,1123 18.699,1124 16.1,1125 31.054,1126 14.351,1127 2.333,1128 8.672,1129 26.401,1130 3.705,1131 16.512,1132 20.19,1133 17.441,1134 33.621,1135 15.463,1136 2.066,1137 7.512,1138 28.366,1139 3.225,1140 17.738,1141 21.719,1142 18.783,1143 36.201,1144 16.605,1145 1.805,1146 5.808,1147 30.338,1148 3.057,1149 18.962,1150 23.232,1151 20.124,1152 38.778,1153 17.737,1154 8789,1155 17960,1156 19.997,1157 27.495,1158 48.626,1159 49.024,1160 49.839,1161 48.306,1162 47.954,1163 61.675,1164 9.767,1165 148.794,1166 44.9,1167 5.746,1168 6.484,1169 7.142,1170 5.486,1171 5.508,1172 7.677,1173 5.335,1174 21.083,1175 5.22,1176 16.439,1177 1.569,1178 1.581,1179 1.608,1180 1.558,1181 1.547,1182 1.99,1183 0.315,1184 4.8,1185 1.448,1186 4.152,1187 4.2,1188 4.137,1189 3.986,1190 8.513,1191 4.015,1192 3.918,1193 3.948,1194 3.887,1195 3.818,1196 8.211,1197 3.828,1198 3.735,1199 3.788,1200 3.648,1201 3.606,1202 8.191,1203 3.61,1204 3.465,1205 3.503,1206 3.452,1207 3.231,1208 7.999,1209 3.264,1210 3.275,1211 3.323,1212 3.253,1213 2.999,1214 7.999,1215 3.041,1216 3.058,1217 3.144,1218 2.941,1219 2.857,1220 7.429,1221 2.86,1222 2.972,1223 3.037,1224 2.856,1225 2.733,1226 5.064,1227 2.753,1228 2.899,1229 2.957,1230 2.813,1231 2.718,1232 4.542,1233 2.734,1234 0.155,1235 0.145,1236 0.241,1237 0.142,1238 0.113,1239 4.8,1240 0.151,1241 4.484,1242 0.123,1243 7.461,1244 0.428,1245 4.413,1246 0.104,1247 3.508,1248 4.677,1249 3.825,1250 13.254,1251 3.22,1252 1.969,1253 1.929,1254 2.089,1255 2.128,1256 1.415,1257 2.108,1258 1.871,1259 1.847,1260 1.951,1261 1.997,1262 1.032,1263 1.981,1264 1.565,1265 1.523,1266 1.705,1267 1.774,1268 0.906,1269 1.762,1270 1.501,1271 1.455,1272 1.57,1273 1.701,1274 0.753,1275 1.667,1276 1.148,1277 1.087,1278 1.444,1279 1.436,1280 0.612,1281 1.399,1282 0.994,1283 0.931,1284 1.169,1285 1.282,1286 0.287,1287 1.261,1288 0.863,1289 0.806,1290 1.111,1291 1.203,1292 0.171,1293 1.132,1294 0.837,1295 0.787,1296 1.06,1297 1.068,1298 0.121,1299 1.078,1300 4.143,1302 5.525,1303 2.398,1304 7.093,1305 4.727,1306 8.751,1307 6.862,1308 10.461,1312 67.721,1315 1.998,1317 2.177,1322 -4.675,1326 28.405,1327 76.886,1328 166.905,1329 186.905,1330 202.905,1331 206.905,1332 206.905,1333 86.449,1334 7.85,1335 59.29,1336 59.29,1337 23,1338 12.858,1339 4.17,1340 3.322,1341 42.372,1342 105,1343 112,1344 0.205,1345 167.604,1346 299.84,1347 400.714,1348 27286,1349 12.2,1350 20.052,1351 0.716,1352 0.51,1353 15.811,1354 14.278,1355 13.236,1356 0.427,1357 0.274,1358 8.282,1359 12.379,1360 8.255,1361 6.703,1362 11.22,1363 8.49,1364 13.36,1365 0.284,1366 0.138,1367 10.176,1368 6.468,1369 10.37,1370 0.167,1371 0.073,1372 8.945,1373 4.557,1374 9.118,1375 0.105,1376 0.038,1377 7.65,1378 3.329,1379 7.703,1380 0.067,1381 0.021,1382 6.269,1383 2.378,1384 0.316,1385 85.739,1386 0.224,1387 26.3,1388 0.579,1389 156,1390 799.559,1391 191.858,1392 633.735,1393 816.14,1394 584,1395 187,1396 573.244,1397 217.305,1398 541.767,1399 822.69,1400 510,1401 6.796}
{0 CHEMBL1585086,1 1.753,2 11.448,3 4,4 16.001,5 108.376,6 8.889,7 0.667,8 3.987,9 4.091,10 3.712,11 3.52,12 5.144,13 3.536,14 4.502,15 4.646,16 4.102,17 3.893,18 5.639,19 3.903,20 4.69,21 4.864,22 4.164,23 3.982,24 5.828,25 3.968,26 4.655,27 4.842,28 4.042,29 3.933,30 5.743,31 3.886,32 4.603,33 4.81,34 3.982,35 3.885,36 5.668,37 3.848,38 4.611,39 4.824,40 4.025,41 3.869,42 5.734,43 3.842,44 4.515,45 4.722,46 3.908,47 3.792,48 5.592,49 3.761,50 4.453,51 4.642,52 3.894,53 3.714,54 5.585,55 3.674,56 0.134,57 0.737,58 6.707,59 3.725,60 7.92,61 4.211,62 0.361,63 1.154,64 14.728,65 6.346,66 20.395,67 7.22,68 0.633,69 1.325,70 21.506,71 7.413,72 40.799,73 8.479,74 0.56,75 1.285,76 23.934,77 7.6,78 34.109,79 9.293,80 0.473,81 1.248,82 20.659,83 6.651,84 30.26,85 8.446,86 0.525,87 1.25,88 20.691,89 6.236,90 39.234,91 7.908,92 0.419,93 1.122,94 17.92,95 6.214,96 28.252,97 7.937,98 0.488,99 0.997,100 17.121,101 6.012,102 30.874,103 7.624,104 5,105 47,106 0.296,107 0.653,108 0.776,109 0.855,110 0.87,111 0.877,112 3.408,113 0.866,114 -5.14,115 -5.03,116 -4.71,120 43.5,121 1,126 3,143 7,144 1,145 4,147 1,148 1,150 1,162 1,167 2,174 5,176 3,177 5,180 1,182 2,185 7,188 4,189 5,192 1,194 1,197 5,200 2,201 10,204 4,206 1,209 1,214 11,217 1,226 1,227 15,232 1,235 3,239 2,240 6,245 1,247 2,251 4,252 4,257 3,260 5,263 3,264 2,269 1,271 4,274 1328,275 19.963,276 19.963,277 19.963,278 19.963,279 19.963,280 17.261,281 28.545,282 11.75,283 20.622,284 16.341,285 16.341,286 16.341,287 16.341,288 16.341,289 12.252,290 44.749,291 5.633,292 17.494,293 3.77,294 1.649,295 0.922,296 0.451,297 0.364,298 0.321,299 4.123,303 1,306 1,307 1,308 744,309 2.646,312 57.12,313 295.496,316 106.989,317 118.269,320 1.912,321 25.617,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 63.333,333 332,334 4.642,335 3.317,336 6.738,337 4.147,338 3.202,339 4.606,340 0.86,341 11.03,342 3.022,343 4.278,344 3.254,345 6.186,346 3.867,347 2.924,348 3.918,349 0.86,350 9.24,351 2.754,352 4.167,353 3.144,354 6.061,355 3.74,356 2.798,357 3.78,358 0.522,359 8.739,360 2.616,361 3.789,362 2.678,363 5.733,364 3.376,365 2.448,366 3.235,367 0.4,368 7.75,369 2.263,370 3.57,371 2.439,372 5.215,373 3.15,374 2.214,375 2.938,377 6.454,378 2.066,379 3.416,380 2.228,381 5.016,382 2.972,383 2.027,384 2.755,386 5.925,387 1.908,388 2.936,389 2.168,390 4.577,391 2.531,392 1.618,393 2.109,395 4.481,396 1.49,397 2.923,398 1.942,399 4.409,400 2.512,401 1.558,402 2.061,404 4.33,405 1.469,406 2.853,407 1.778,408 4.104,409 2.349,410 1.414,411 1.996,413 3.469,414 1.282,415 2.702,416 1.549,417 3.794,418 2.321,419 1.402,420 1.793,422 3.015,423 1.248,424 2.496,425 1.314,426 3.612,427 2.214,428 1.245,429 1.496,431 2.955,432 1.192,433 2.435,434 1.119,435 3.597,436 1.984,437 1.039,438 1.417,440 2.665,441 0.979,442 1.918,443 0.999,444 3.186,445 1.595,446 0.696,447 0.826,449 1.614,450 0.619,451 1.481,452 0.546,453 3.009,454 1.137,455 0.209,456 0.256,458 0.527,459 0.183,460 1.289,461 0.301,462 2.877,463 0.917,464 0.007,465 0.009,467 0.019,468 0.006,469 13.781,470 0.475,471 0.674,472 0.023,473 41.5,474 1.431,475 21.5,476 0.741,477 20,478 0.69,479 21.983,480 0.758,481 30.019,482 0.653,483 29.817,484 1.028,485 8.251,486 0.285,487 5.919,488 0.204,489 0.088,491 0.356,496 0.781,497 1.225,498 0.56,499 0.985,500 0.731,501 0.846,502 1.072,503 1.138,504 0.667,505 0.916,506 0.846,507 0.833,508 1.228,509 1.025,510 0.961,511 0.876,512 1.153,513 0.9,514 0.952,515 1.112,516 1.25,517 1.177,518 1.079,519 1.146,520 0.922,521 1.154,522 0.896,523 0.915,524 0.873,525 0.932,526 0.964,527 1.06,528 0.851,529 0.825,530 0.991,531 0.863,532 0.878,533 1.065,534 0.757,535 0.85,536 0.902,537 0.871,538 0.749,539 1.087,540 0.858,541 1.083,542 0.806,543 1.069,544 5.5,545 0.07,546 3.111,547 1.757,548 1.782,549 0.743,550 0.662,551 0.452,552 0.3,553 0.182,554 11594,555 34144,556 2.193,557 37,559 13,562 1,563 3,567 1.72,568 2.096,569 3.461,570 -0.268,572 1,575 80.649,576 1.753,577 3.875,578 4.602,579 5.072,580 5.159,581 5.203,582 2.915,583 4.72,584 4.829,585 3.637,586 1476.56,587 8.413,588 19735.8,590 1,592 1,593 254.084,594 1.247,595 4.809,596 0.167,597 0.004,598 0.066,599 0.037,600 0.043,601 0.019,602 0.017,603 0.012,604 0.009,605 0.007,606 0.381,607 0.17,608 0.88,609 0.434,610 146.916,611 0.011,612 -0.083,613 0.041,614 -0.08,615 -0.039,616 -0.017,617 -0.046,618 -0.07,619 0.071,620 0.003,621 0.022,622 0.038,623 -0.085,624 0.019,625 -0.052,626 0.048,627 -0.095,628 -0.01,629 0.002,630 -0.078,631 -0.198,632 -0.222,633 -0.093,634 -0.214,635 -0.092,636 -0.097,637 -0.026,638 0.002,639 -0.008,640 0.003,641 -0.086,642 0.02,643 0.028,644 0.07,646 0.052,647 -0.019,648 -0.023,649 0.066,650 0.07,651 -0.001,652 0.072,653 0.234,654 -0.075,655 0.056,656 -0.136,657 0.173,658 -0.126,659 1.088,660 2.18,661 0.862,662 28.476,663 1.019,664 1.127,665 3.905,666 15.25,667 0.704,668 3.526,669 3.871,670 4.174,671 4.477,672 4.736,673 4.812,674 4.97,675 5.17,676 5.278,677 5.371,678 6.69,679 0.686,680 408.88,681 3.526,682 5.081,683 5.948,684 6.838,685 7.721,686 8.616,687 9.505,688 10.402,689 11.295,690 12.194,691 13,699 2,701 4,708 2,709 7,710 4,714 7,715 1,716 22,729 1,735 2,737 1,738 46,739 22,740 2,741 33,743 50,744 20,745 16,746 5,747 7,752 5,753 7,754 1,759 1,768 16,769 4,786 1,789 17,790 7,791 1,792 9,793 1,797 6,803 0.6,804 2,817 1,822 1,823 4,826 1,827 1,855 3,859 1,860 1,862 29,869 3,871 1,872 2,883 1,885 1,886 4.3,891 2,893 13.833,894 8.81,895 6.222,896 2.71,898 4.366,899 1.531,900 1.029,901 4.797,902 12.595,903 3.807,904 4.469,905 5.096,906 5.722,907 6.277,908 6.583,909 7.01,910 7.504,911 7.834,912 8.231,913 0.875,914 47,915 10.653,917 4.582,918 7.676,919 20.289,921 16.699,924 2.176,925 63.111,928 1,929 188.338,930 114.894,931 86.562,932 39.149,933 22,936 114.894,937 249.486,938 86.562,939 8.825,940 11.29,941 66.334,942 68.49,943 66.189,944 2.328,945 188.338,946 39.149,947 188.338,948 201.456,949 22,950 39.149,952 190.666,953 22,956 43.762,957 88.591,958 105.923,960 188.338,961 108.562,962 154.043,965 188.338,966 39.736,967 76.936,968 18.011,969 127.923,970 188.338,971 108.562,972 154.043,973 0.585,974 0.345,975 0.193,976 0.108,977 25,978 10,979 0.08,980 4,981 2,982 1.16,983 4.128,984 267.719,985 0.16,986 25,987 140.881,993 18.311,994 7.597,995 3.646,996 1.218,997 106.785,998 13.305,999 17.605,1003 5.057,1004 1.722,1005 18.011,1006 450.942,1007 44,1020 46.891,1021 51.844,1022 0.317,1023 0.702,1024 0.833,1025 0.918,1026 0.934,1027 0.942,1028 5.047,1029 1.558,1030 5.932,1031 4.481,1032 4.554,1033 5.156,1034 1.573,1035 6.753,1036 4.422,1037 6.268,1038 1.414,1039 7.492,1040 4.33,1041 4.111,1042 5.007,1044 7.636,1045 3.897,1046 7.587,1047 1.402,1048 9.149,1049 3.469,1050 6.155,1051 7.426,1052 1.22,1053 10.758,1054 5.906,1055 8.943,1056 1.245,1057 10.866,1058 3.015,1059 6.538,1060 8.122,1062 12.482,1063 6.205,1064 10.332,1065 1.039,1066 12.62,1067 2.955,1068 8.039,1069 10.004,1070 0.981,1071 15.109,1072 7.674,1073 11.745,1074 0.696,1075 14.401,1076 2.665,1077 8.815,1078 11.107,1080 17.192,1081 8.37,1082 13.175,1083 0.209,1084 16.202,1085 1.614,1086 10.092,1087 12.766,1088 0.793,1089 19.649,1090 9.609,1091 3.202,1092 0.007,1093 18.017,1094 0.527,1095 11.056,1096 14.073,1098 21.893,1099 10.5,1100 2.924,1101 11.03,1102 19.843,1103 0.019,1104 12.24,1105 15.638,1106 0.636,1107 24.293,1108 11.64,1109 2.798,1110 9.24,1111 21.68,1112 4.606,1113 13.293,1114 17.047,1116 26.611,1117 12.627,1118 2.448,1119 8.739,1120 23.524,1121 3.918,1122 14.442,1123 18.575,1124 0.504,1125 28.996,1126 13.728,1127 2.214,1128 7.75,1129 25.374,1130 3.78,1131 15.539,1132 20.037,1134 31.351,1135 14.762,1136 2.027,1137 6.454,1138 27.231,1139 3.235,1140 16.677,1141 21.553,1142 0.395,1143 33.734,1144 15.848,1145 1.618,1146 5.925,1147 29.092,1148 2.938,1149 17.796,1150 23.042,1152 36.108,1153 16.907,1154 10630,1155 18418,1156 22.77,1157 32.37,1158 49.879,1159 50.676,1160 50.773,1161 49.741,1162 49.602,1163 66.392,1164 5.283,1165 144.424,1166 46.196,1167 5.586,1168 5.317,1169 6.425,1170 5.287,1171 5.202,1172 7.606,1173 1.72,1174 18.28,1175 5.022,1176 9.856,1177 1.511,1178 1.536,1179 1.539,1180 1.507,1181 1.503,1182 2.012,1183 0.16,1184 4.376,1185 1.4,1186 4.103,1187 4.16,1188 4.104,1189 3.935,1190 5.227,1191 3.958,1192 3.931,1193 3.949,1194 3.966,1195 3.839,1196 4.949,1197 3.842,1198 3.872,1199 3.899,1200 3.878,1201 3.76,1202 4.922,1203 3.781,1204 3.479,1205 3.541,1206 3.395,1207 3.258,1208 4.649,1209 3.272,1210 3.419,1211 3.493,1212 3.312,1213 3.199,1214 4.388,1215 3.215,1216 3.161,1217 3.238,1218 3.285,1219 2.999,1220 4.341,1221 2.994,1222 2.976,1223 3.044,1224 3.03,1225 2.808,1226 4.214,1227 2.81,1228 2.879,1229 2.922,1230 2.852,1231 2.784,1232 4.027,1233 2.765,1234 0.141,1235 0.101,1236 0.204,1237 0.126,1238 0.097,1239 4.642,1240 0.14,1241 3.317,1242 0.026,1243 6.738,1244 0.334,1245 4.147,1246 0.092,1247 3.202,1248 4.606,1249 0.86,1250 11.03,1251 3.022,1252 1.926,1253 1.899,1254 2.014,1255 2.071,1256 1.176,1257 2.049,1258 1.897,1259 1.877,1260 1.989,1261 2.009,1262 1.111,1263 2.006,1264 1.771,1265 1.734,1266 1.85,1267 1.93,1268 0.948,1269 1.915,1270 1.421,1271 1.367,1272 1.681,1273 1.675,1274 0.891,1275 1.666,1276 1.339,1277 1.259,1278 1.57,1279 1.615,1280 0.706,1281 1.598,1282 1.225,1283 1.15,1284 1.454,1285 1.448,1286 0.564,1287 1.469,1288 0.905,1289 0.852,1290 1.143,1291 1.14,1292 0.199,1293 1.134,1294 0.869,1295 0.824,1296 1.113,1297 1.084,1298 0.173,1299 1.085,1300 4.205,1302 5.541,1303 2.398,1304 7.076,1305 4.727,1306 8.702,1307 6.843,1308 10.375,1310 1.835,1311 6.292,1315 1.555,1317 3.298,1318 11.225,1326 31.546,1327 80.649,1328 178.252,1329 211.677,1330 233.329,1331 237.329,1332 239.329,1333 36.848,1334 8.229,1335 86.98,1336 86.98,1337 29,1338 12.718,1339 4.524,1340 3.585,1341 39.603,1342 116,1343 111,1344 0.166,1345 193.467,1346 321.55,1347 463.821,1348 48033,1349 2.2,1350 19.794,1351 0.683,1352 0.564,1353 20.294,1354 16.349,1355 14.17,1356 0.429,1357 0.289,1358 9.016,1359 13.208,1360 8.808,1361 7.235,1362 14.459,1363 9.529,1364 12.979,1365 0.276,1366 0.149,1367 13.35,1368 7.021,1369 11.19,1370 0.175,1371 0.077,1372 11.57,1373 4.926,1374 9.698,1375 0.111,1376 0.039,1377 9.951,1378 3.4,1379 8.174,1380 0.072,1381 0.021,1382 8.393,1383 2.329,1384 0.26,1385 92.719,1386 0.21,1387 27.489,1388 0.458,1389 160,1390 504.233,1391 194.845,1392 511.689,1393 707.09,1394 482,1395 191,1396 522.471,1397 224.228,1398 529.905,1399 780.54,1400 500,1401 5.465}
{0 CHEMBL1585230,1 1.504,2 8.857,3 1.741,4 3.032,5 75.745,6 7.234,7 0.261,8 3.791,9 3.895,10 3.319,11 3.311,12 4.88,13 3.294,14 4.38,15 4.527,16 3.724,17 3.749,18 5.506,19 3.704,20 4.691,21 4.901,22 3.687,23 3.836,24 5.685,25 3.756,26 4.657,27 4.861,28 3.754,29 3.696,30 5.95,31 3.654,32 4.556,33 4.776,34 3.506,35 3.531,36 5.956,37 3.47,38 4.293,39 4.511,40 3.235,41 3.402,42 5.413,43 3.329,44 4.175,45 4.39,46 3.227,47 3.381,48 5.221,49 3.296,50 4.172,51 4.391,52 3.012,53 3.245,54 5.306,55 3.139,56 0.06,57 0.545,58 8.604,59 4.043,60 12.696,61 5.052,62 0.267,63 0.915,64 16.757,65 7.094,66 51.286,67 9.247,68 0.411,69 1.128,70 25.2,71 8.678,72 67.264,73 11.788,74 0.678,75 1.039,76 24.956,77 7.674,78 88.333,79 10.603,80 0.746,81 0.889,82 23.498,83 6.765,84 129.215,85 9.271,86 0.379,87 0.728,88 17.442,89 5.489,90 62.203,91 7.381,92 0.17,93 0.681,94 14.619,95 5.532,96 24.63,97 7.529,98 0.265,99 0.617,100 15.294,101 5.326,102 44.954,103 7.094,104 21,105 33,106 0.271,107 0.634,108 0.802,109 0.838,110 0.856,111 0.874,112 3.104,113 0.962,114 -2.99,115 -3,116 -2.89,120 40,121 1,122 3,123 2,128 2,143 4,144 1,145 1,159 2,168 1,172 1,174 8,175 1,177 6,180 2,182 4,185 9,186 1,189 2,190 1,194 4,197 8,198 1,200 2,201 4,202 1,204 2,206 3,207 1,209 4,210 1,213 1,214 4,217 2,218 1,219 3,222 4,227 3,232 1,235 5,236 2,240 5,245 2,247 6,248 2,252 4,257 2,260 5,261 1,264 2,269 1,271 3,272 1,274 549,275 14.093,276 14.093,277 14.093,278 14.093,279 14.093,280 13.057,281 19.189,282 8.105,283 14.238,284 11.272,285 11.272,286 11.272,287 11.272,288 11.272,289 9.646,290 22.712,291 3.742,292 11.518,293 3.818,294 1.803,295 0.869,296 0.669,297 0.569,298 0.469,299 3.776,305 1,306 1,307 1,308 399,309 3.317,312 104.374,313 134.392,320 1.401,321 31.266,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.5,333 186,334 4.393,335 3.946,336 7.034,337 4.306,338 3.328,339 3.66,340 2.341,341 12.038,342 3.252,343 4.043,344 3.603,345 5.874,346 3.663,347 2.679,348 3.469,349 1.907,350 7.951,351 2.635,352 3.671,353 3.099,354 5.502,355 3.393,356 2.394,357 2.895,358 0.86,359 7.264,360 2.379,361 3.45,362 2.766,363 5.281,364 3.197,365 2.227,366 2.631,367 0.149,368 6.541,369 2.142,370 3.295,371 2.34,372 5.096,373 3.016,374 2.035,375 2.392,377 6.06,378 1.987,379 2.715,380 2.059,381 4.633,382 2.538,383 1.554,384 1.695,386 4.421,387 1.51,388 2.5,389 1.779,390 3.94,391 2.044,392 1.034,393 1.5,395 2.668,396 1.031,397 2.268,398 1,399 3.414,400 2,401 1,402 1.168,404 2.275,405 1,406 1.734,407 0.963,408 3.266,409 1.575,410 0.624,411 0.65,413 1.556,414 0.582,415 1.627,416 0.846,417 2.963,418 1.498,419 0.544,420 0.592,422 0.905,423 0.519,424 1.139,425 0.622,426 2.66,427 0.85,428 -0.136,429 -0.159,431 -0.281,432 -0.133,433 0.763,434 0.362,435 2.355,436 0.518,437 -0.512,438 -0.574,440 -1.483,441 -0.513,442 0.535,443 0.076,444 2.254,445 0.166,446 -0.855,447 -1.108,449 -1.91,450 -0.871,451 0.5,452 -0.501,453 2,455 -1,456 -1.279,458 -2,459 -0.973,460 0.364,461 -0.945,462 1.735,463 -0.011,464 -1,465 -1.361,467 -3,468 -1,469 9.733,470 0.463,471 0.575,472 0.027,473 22.75,474 1.083,475 9.5,476 0.452,477 13.25,478 0.631,479 18.207,480 0.867,481 23.867,482 0.597,483 15.881,484 0.756,485 4.16,486 0.198,487 5.937,488 0.283,489 0.154,491 0.411,496 0.758,497 1.203,498 0.81,499 1.112,500 0.647,501 0.99,502 0.626,503 1.232,504 0.859,505 1.187,506 0.442,507 1.096,508 1.068,509 1.101,510 1.055,511 1.053,512 0.919,513 1.049,514 0.955,515 1.135,516 0.93,517 1.067,518 1.223,519 0.999,520 1.229,521 0.854,522 1.05,523 0.838,524 1.397,525 0.894,526 1.355,527 0.795,528 1.138,529 0.802,530 1.471,531 0.893,532 0.758,533 1.043,534 0.908,535 1.103,536 0.53,537 1.043,538 1.157,539 1.045,540 1.124,541 1.115,542 1.169,543 1.121,544 4.5,545 0.074,546 2.222,547 1.625,548 1.584,549 0.681,550 0.396,551 0.255,552 0.165,553 0.126,554 4205,555 11182,556 2.045,557 47.5,558 5,559 6,562 2,563 2,564 4,567 1.632,568 1.881,569 3.091,570 0.331,571 1,572 1,574 1,575 60.167,576 1.504,577 3.519,578 4.453,579 4.653,580 4.753,581 4.853,582 2.529,583 3.975,584 4.363,585 3.254,586 683.369,587 7.475,588 7153.38,589 1,590 1,592 1,593 212.877,594 1.51,595 4.305,596 0.196,597 0.011,598 0.067,599 0.054,600 0.053,601 0.03,602 0.021,603 0.013,604 0.012,605 0.014,606 0.47,607 0.5,608 1,609 0.988,610 94.342,611 -0.068,612 0.02,613 0.024,614 0.046,615 -0.051,616 0.055,617 0.134,618 -0.112,619 0.021,620 -0.092,621 0.143,622 -0.07,623 -0.135,624 -0.093,625 -0.097,626 -0.067,627 -0.108,628 -0.073,629 0.206,630 -0.144,631 0.079,632 -0.132,633 0.021,634 -0.065,635 0.076,636 0.088,637 -0.002,638 0.065,639 0.104,640 0.019,641 -0.249,642 0.199,643 -0.139,644 0.144,645 -0.232,646 0.051,647 -0.021,648 -0.027,649 0.014,650 -0.082,651 0.058,652 -0.029,653 -0.138,654 -0.121,655 -0.145,656 -0.131,657 -0.082,658 -0.139,659 2.608,660 5.419,661 0.619,662 14.544,663 1.009,664 1.127,665 1.764,666 3.113,667 0.642,668 3.178,669 3.526,670 3.829,671 4.143,672 4.29,673 4.277,674 4.29,675 4.234,676 4.22,677 4.317,678 5.248,679 0.616,680 289.36,681 3.178,682 4.727,683 5.595,684 6.497,685 7.387,686 8.295,687 9.196,688 10.108,689 11.015,690 11.93,691 2.5,698 1,709 4,714 2,716 6,738 40,739 8,740 1,741 23,743 42,744 16,745 6,746 2,747 4,752 3,753 4,759 1,763 4,764 2,766 5,768 8,769 8,770 2,772 2,778 2,782 2,785 1,786 1,789 19,790 5,791 2,792 5,797 1,803 0.667,804 4,810 2,822 2,823 2,838 1,840 1,853 1,854 1,855 2,859 1,862 21,868 1,869 3,871 1,872 1,874 4,886 10,888 1,889 2,890 1,893 11.167,894 7.117,895 4.639,896 2.633,898 1.146,899 1.171,900 0.923,901 3.895,902 7.856,903 3.367,904 3.861,905 4.28,906 4.744,907 5.121,908 5.078,909 5.232,910 5.333,911 5.371,912 5.665,913 0.833,914 30,915 7.891,917 3.563,918 8,919 14.879,921 12.881,924 2.5,925 52.5,929 200.109,930 65.891,931 18.011,933 103.973,936 65.891,937 304.082,938 18.011,939 8.825,940 25.614,941 37.905,942 109.588,943 5.942,945 200.109,947 200.109,948 83.901,949 103.973,952 153.024,953 140.058,954 11,956 34.44,957 49.462,960 200.109,961 121.984,962 65.891,965 200.109,966 19.16,967 46.73,968 18.011,969 103.973,970 200.109,971 121.984,972 65.891,973 0.586,974 0.352,975 0.198,976 0.104,977 17,978 8,979 0.095,980 4,981 2,982 1.231,983 3.301,984 162.766,985 0.308,986 12,987 88.239,993 14.394,994 5.683,995 2.646,997 121.984,998 7.615,1003 1.892,1005 60.694,1006 387.983,1007 28,1013 23.802,1017 -1.192,1020 40.363,1021 45.073,1022 0.283,1023 0.661,1024 0.837,1025 0.874,1026 0.893,1027 0.912,1028 4.64,1029 1,1030 5.602,1031 2.668,1032 4.205,1033 4.543,1034 2.838,1035 6.46,1036 4.162,1037 5.812,1038 0.624,1039 7.191,1040 2.275,1041 3.892,1042 4.331,1043 2.591,1044 7.476,1045 3.834,1046 7.109,1047 0.544,1048 8.879,1049 1.556,1050 5.838,1051 6.518,1052 4.025,1053 10.608,1054 5.753,1055 8.432,1056 -0.136,1057 10.628,1058 0.905,1059 6.347,1060 7.043,1061 4.392,1062 12.506,1063 6.241,1064 9.787,1065 -0.512,1066 12.417,1067 -0.281,1068 7.791,1069 8.768,1070 5.472,1071 15.189,1072 7.665,1073 11.161,1074 -0.855,1075 14.236,1076 -1.483,1077 8.675,1078 9.61,1079 6.092,1080 17.456,1081 8.523,1082 12.551,1083 -1,1084 16.079,1085 -1.91,1086 9.942,1087 11.154,1088 7.032,1089 20.003,1090 9.77,1091 3.328,1092 -1,1093 17.942,1094 -2,1095 10.998,1096 12.157,1097 7.767,1098 22.412,1099 10.8,1100 2.679,1101 12.038,1102 19.82,1103 -3,1104 12.207,1105 13.609,1106 8.65,1107 24.918,1108 11.987,1109 2.394,1110 7.951,1111 21.712,1112 3.66,1113 13.341,1114 14.707,1115 9.44,1116 27.378,1117 13.095,1118 2.227,1119 7.264,1120 23.615,1121 3.469,1122 14.535,1123 16.105,1124 10.299,1125 29.871,1126 14.267,1127 2.035,1128 6.541,1129 25.526,1130 2.895,1131 15.704,1132 17.262,1133 11.117,1134 32.349,1135 15.411,1136 1.554,1137 6.06,1138 27.445,1139 2.631,1140 16.897,1141 18.626,1142 11.967,1143 34.838,1144 16.58,1145 1.034,1146 4.421,1147 29.371,1148 2.392,1149 18.082,1150 19.823,1151 12.8,1152 37.323,1153 17.741,1154 4157,1155 6881,1156 15.027,1157 25.676,1158 35.043,1159 36.271,1160 36.613,1161 34.807,1162 34.838,1163 41.303,1164 10.514,1165 103.358,1166 34.076,1167 5.393,1168 5.946,1169 6.586,1170 5.36,1171 5.328,1172 6.66,1173 3.925,1174 19.253,1175 5.252,1176 11.146,1177 1.524,1178 1.577,1179 1.592,1180 1.513,1181 1.515,1182 1.796,1183 0.457,1184 4.494,1185 1.482,1186 4.025,1187 4.051,1188 3.953,1189 3.905,1190 7.474,1191 3.91,1192 3.911,1193 3.942,1194 3.837,1195 3.826,1196 7.428,1197 3.826,1198 3.467,1199 3.532,1200 3.355,1201 3.287,1202 6.351,1203 3.285,1204 3.365,1205 3.391,1206 3.284,1207 3.149,1208 4.753,1209 3.158,1210 3.265,1211 3.292,1212 3.117,1213 3.012,1214 4.652,1215 3.05,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.07,1221 2.715,1222 2.824,1223 2.909,1224 2.636,1225 2.641,1226 3.747,1227 2.628,1228 2.734,1229 2.799,1230 2.531,1231 2.466,1232 3.674,1233 2.479,1234 0.191,1235 0.172,1236 0.306,1237 0.187,1238 0.145,1239 4.393,1240 0.159,1241 3.946,1242 0.102,1243 7.034,1244 0.523,1245 4.306,1246 0.141,1247 3.328,1248 3.66,1249 2.341,1250 12.038,1251 3.252,1252 1.93,1253 1.9,1254 2.056,1255 2.032,1256 1.417,1257 2.04,1258 1.802,1259 1.769,1260 1.975,1261 1.934,1262 1.204,1263 1.947,1264 1.448,1265 1.381,1266 1.735,1267 1.665,1268 0.872,1269 1.687,1270 1.309,1271 1.285,1272 1.53,1273 1.576,1274 0.816,1275 1.548,1276 1.287,1277 1.235,1278 1.501,1279 1.516,1280 0.806,1281 1.524,1282 0.961,1283 0.927,1284 1.186,1285 1.318,1286 0.263,1287 1.266,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.716,1295 0.669,1296 1.007,1297 1.015,1298 0.037,1299 1.019,1300 3.85,1302 5.187,1303 3.045,1304 6.725,1305 5.416,1306 8.359,1307 7.545,1308 10.048,1310 2.067,1314 9.329,1315 2.438,1317 2.823,1318 5.612,1320 -1.887,1326 24.622,1327 60.167,1328 140.771,1329 178.122,1330 186.122,1331 190.122,1332 194.122,1333 48.22,1334 6.711,1335 75.63,1336 75.63,1337 16,1338 12.444,1339 3.17,1340 2.585,1341 32.234,1342 65,1343 77,1344 0.247,1345 150.21,1346 270.34,1347 358.272,1348 6251,1350 14.983,1351 0.713,1352 0.567,1353 14.983,1354 11.912,1355 10.097,1356 0.439,1357 0.321,1358 7.287,1359 9.707,1360 7.156,1361 5.861,1362 10.097,1363 7.379,1364 9.24,1365 0.28,1366 0.173,1367 9.24,1368 5.72,1369 7.723,1370 0.172,1371 0.1,1372 7.723,1373 4.491,1374 6.772,1375 0.109,1376 0.054,1377 6.772,1378 3.374,1379 5.12,1380 0.071,1381 0.031,1382 5.12,1383 2.199,1384 0.38,1385 63.536,1386 0.258,1387 20.659,1388 0.695,1389 112,1390 343.689,1391 124.904,1392 321.112,1393 423.54,1394 298,1395 134,1396 297.011,1397 145.965,1398 294.585,1399 434.45,1400 279,1401 4.174}
{0 CHEMBL1585511,1 1.829,2 7.278,3 2.526,4 6.381,5 66.764,6 9.197,7 0.579,8 3.499,9 3.586,10 3.218,11 3.025,12 4.794,13 3.035,14 3.94,15 4.073,16 3.604,17 3.361,18 5.216,19 3.365,20 4.115,21 4.236,22 3.76,23 3.407,24 5.57,25 3.402,26 4.188,27 4.367,28 3.502,29 3.268,30 5.563,31 3.238,32 3.91,33 4.089,34 3.273,35 3.083,36 5.349,37 3.072,38 3.867,39 4.006,40 3.287,41 3.02,42 5.322,43 3.031,44 3.775,45 3.932,46 3.282,47 2.963,48 5.185,49 2.935,50 3.496,51 3.652,52 2.822,53 2.788,54 4.67,55 2.679,56 0.161,57 0.398,58 4.119,59 2.472,60 12.019,61 2.645,62 0.238,63 0.592,64 8.452,65 4.077,66 21.613,67 4.777,68 0.521,69 0.642,70 11.344,71 4.427,72 38.659,73 4.8,74 0.63,75 0.621,76 18.899,77 5.107,78 63.501,79 5.705,80 0.384,81 0.5,82 11.369,83 3.808,84 48.213,85 4.46,86 0.497,87 0.44,88 10.171,89 3.439,90 57.215,91 3.235,92 0.434,93 0.39,94 11.869,95 3.484,96 51.625,97 3.658,98 0.246,99 0.314,100 8.711,101 2.755,102 16.068,103 2.953,104 26,105 27,106 0.353,107 0.757,108 0.801,109 0.873,110 0.873,111 0.873,112 2.96,113 0.883,114 -2.95,115 -2.95,116 -2.85,120 41.4,121 2,143 3,144 1,145 3,147 1,153 1,159 1,167 1,174 4,177 1,180 1,182 2,185 4,188 1,189 3,192 1,193 1,194 4,197 3,200 1,201 2,204 1,206 4,214 4,217 1,219 2,227 5,230 1,235 1,240 4,243 1,245 1,247 3,252 2,257 1,260 4,271 2,274 336,275 11.569,276 11.569,277 11.569,278 11.569,279 11.569,280 9.921,281 13.015,282 6.602,283 11.761,284 9.296,285 9.296,286 9.296,287 9.296,288 9.296,289 6.893,290 14.681,291 3.099,292 9.671,293 3.029,294 0.932,295 0.699,296 0.328,297 0.328,298 0.328,299 3.604,303 1,306 1,307 1,308 269,309 2.646,312 51.529,313 61.686,320 1.056,321 24.319,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 40.333,333 131,334 4.453,335 3.653,336 6.575,337 4.053,338 3.093,339 4.125,340 1.058,341 10.223,342 2.957,343 4.227,344 3.14,345 6.08,346 3.809,347 2.845,348 3.879,350 8.794,351 2.736,352 3.611,353 2.957,354 5.444,355 3.239,356 2.256,357 2.897,359 6.584,360 2.188,361 3.413,362 2.349,363 4.918,364 3.04,365 2.058,366 2.709,368 5.647,369 2.012,370 2.87,371 1.853,372 4.372,373 2.465,374 1.503,375 2.005,377 4.078,378 1.442,379 2.594,380 1.694,381 4.017,382 2.101,383 1.188,384 1.601,386 3.04,387 1.084,388 2.552,389 1.539,390 3.743,391 2.037,392 1.064,393 1.524,395 2.662,396 0.944,397 1.524,398 0.673,399 2.85,400 1.189,401 0.243,402 0.294,404 0.539,405 0.226,406 1,407 0.438,408 2.368,409 0.695,410 -0.2,411 -0.226,413 -0.456,414 -0.15,415 0.969,416 0.224,417 2.22,418 0.57,419 -0.403,420 -0.524,422 -0.973,423 -0.38,424 0.482,425 -0.448,426 2,427 0.017,428 -1,429 -1.16,431 -2.323,432 -0.932,433 0.193,434 -0.656,435 1.802,436 -0.056,437 -1,438 -1.353,440 -2.764,441 -0.949,442 0.133,443 -0.734,444 1.486,445 -0.217,446 -1.135,447 -1.443,449 -2.902,450 -1.009,451 -0.186,452 -1.176,453 1.325,454 -0.584,455 -1.441,456 -1.863,458 -3.9,459 -1.312,460 -0.246,461 -1.362,462 1.225,463 -0.606,464 -1.555,465 -2.029,467 -4.422,468 -1.497,469 8.514,470 0.473,471 0.6,472 0.033,473 24,474 1.333,475 12.5,476 0.694,477 11.5,478 0.639,479 12.295,480 0.683,481 19.686,482 0.679,483 16.132,484 0.896,485 4.954,486 0.275,487 3.532,488 0.196,489 0.28,491 0.411,496 0.749,497 1.113,498 0.573,499 0.856,500 0.745,501 0.809,502 0.658,503 1.262,504 0.519,505 0.927,506 0.577,507 0.79,508 0.798,509 1.211,510 0.869,511 1.13,512 0.94,513 1.091,514 1.179,515 0.954,516 1.192,517 1.121,518 1.148,519 1.067,520 0.95,521 0.983,522 0.802,523 0.959,524 0.972,525 0.903,526 1.656,527 0.827,528 0.938,529 0.692,530 2.018,531 0.802,532 1.293,533 0.843,534 1.146,535 0.883,536 1.325,537 0.875,538 1.287,539 1.153,540 1.724,541 1.269,542 0.673,543 1.397,544 4.5,546 2.889,547 1.632,548 1.103,549 0.396,550 0.341,551 0.254,552 0.113,553 0.016,554 2512,555 9359,556 1.931,557 37.9,558 3,559 3,562 2,563 3,567 1.588,568 1.742,569 2.895,570 0.483,572 1,573 1,574 1,575 53.053,576 1.829,577 3.926,578 4.159,579 4.53,580 4.53,581 4.53,582 2.224,583 3.725,584 4.147,585 3,586 458.96,587 7.042,588 4351.67,590 1,592 1,593 140.881,594 1.572,595 4.056,596 0.237,598 0.107,599 0.063,600 0.055,601 0.022,602 0.02,603 0.017,604 0.013,605 0.008,606 0.541,607 0.67,608 1,609 0.745,610 75.839,611 -0.024,612 0.052,613 -0.006,614 0.067,615 -0.119,616 0.042,617 0.062,618 -0.187,619 0.187,620 0.018,621 0.066,622 0.14,623 0.194,624 -0.148,625 0.026,626 -0.2,627 0.023,628 -0.223,629 -0.057,630 -0.03,631 -0.107,632 -0.16,633 -0.02,634 -0.109,635 0.014,636 -0.008,637 0.039,638 -0.03,639 0.179,640 0.053,641 -0.294,642 0.109,643 -0.075,644 0.232,645 -0.355,646 0.073,647 -0.088,648 0.055,649 0.032,650 0.124,651 -0.085,652 0.088,653 -0.349,654 -0.201,655 -0.456,656 -0.233,657 -0.145,658 -0.425,659 2.221,660 4.871,661 0.611,662 10.333,663 1.032,664 1.126,665 1.717,666 2.947,667 0.691,668 2.996,669 3.332,670 3.555,671 3.714,672 3.784,673 3.664,674 3.555,675 3.611,676 3.555,677 3.401,678 4.585,679 0.678,680 266.7,681 2.996,682 4.533,683 5.371,684 6.24,685 7.096,686 7.965,687 8.826,688 9.695,689 10.558,690 11.427,691 6.9,698 1,701 1,709 3,710 1,712 1,714 6,716 11,723 1,734 1,737 1,738 29,739 12,740 1,741 19,743 30,744 12,745 9,746 3,747 3,748 1,752 2,753 2,754 1,759 2,768 10,769 2,772 1,778 1,782 1,786 1,789 11,790 5,791 2,792 6,793 1,796 1,797 2,803 1,804 3,822 1,823 1,855 2,859 2,860 1,862 18,868 1,871 1,885 1,886 10.3,888 1,889 1,891 1,893 10.333,894 5.876,895 3.944,896 1.572,898 1.982,899 1.332,900 0.921,901 3.59,902 7.961,903 3.277,904 3.907,905 4.438,906 4.925,907 5.228,908 5.217,909 5.181,910 5.535,911 5.776,912 5.962,913 0.8,914 26,915 6.605,917 2.796,918 8.154,919 11.981,921 9.327,924 2.654,925 47.778,929 105.94,930 68.432,931 37.607,932 39.149,933 77.562,936 68.432,937 222.651,938 37.607,939 17.65,940 18.011,941 28.429,942 92.13,943 21.934,944 5.449,945 105.94,946 39.149,947 105.94,948 106.04,949 77.562,950 39.149,952 105.94,953 77.562,956 38.418,957 48.025,958 58.745,960 105.94,961 115.17,962 107.581,965 105.94,966 22.353,967 46.079,968 18.011,969 136.308,970 105.94,971 115.17,972 107.581,973 0.596,974 0.351,975 0.17,976 0.086,977 13,978 7,979 0.067,980 2,982 1,983 2.936,984 124.172,986 11,987 75.059,993 12.925,994 5,995 2.679,997 115.17,998 4.874,999 3.589,1001 4.824,1003 1.708,1005 60.694,1006 328.691,1007 25.5,1013 11.871,1017 -0.554,1020 29.927,1021 32.645,1022 0.377,1023 0.808,1024 0.856,1025 0.932,1026 0.932,1027 0.932,1028 4.508,1029 0.243,1030 5.389,1031 2.662,1032 4.007,1033 4.59,1034 1.176,1035 6.201,1036 3.928,1037 5.75,1038 -0.2,1039 6.969,1040 0.539,1041 3.761,1042 4.543,1044 7.12,1045 3.624,1046 7.076,1047 -0.403,1048 8.645,1049 -0.456,1050 5.617,1051 6.809,1052 1.255,1053 10.186,1054 5.468,1055 8.436,1056 -1,1057 10.374,1058 -0.973,1059 6.133,1060 7.531,1062 11.889,1063 5.914,1064 9.823,1065 -1,1066 12.135,1067 -2.323,1068 7.519,1069 9.308,1070 1.338,1071 14.489,1072 7.287,1073 11.23,1074 -1.135,1075 13.92,1076 -2.764,1077 8.366,1078 10.378,1080 16.521,1081 8.064,1082 12.652,1083 -1.441,1084 15.72,1085 -2.902,1086 9.577,1087 11.953,1088 1.422,1089 18.949,1090 9.252,1091 3.093,1092 -1.555,1093 17.534,1094 -3.9,1095 10.57,1096 13.189,1098 21.128,1099 10.182,1100 2.845,1101 10.223,1102 19.358,1103 -4.422,1104 11.715,1105 14.673,1106 1.51,1107 23.486,1108 11.296,1109 2.256,1110 8.794,1111 21.19,1112 4.125,1113 12.772,1114 15.99,1116 25.735,1117 12.297,1118 2.058,1119 6.584,1120 23.029,1121 3.879,1122 13.894,1123 17.431,1124 1.599,1125 28.065,1126 13.381,1127 1.503,1128 5.647,1129 24.873,1130 2.897,1131 14.98,1132 18.789,1134 30.347,1135 14.416,1136 1.188,1137 4.078,1138 26.721,1139 2.709,1140 16.094,1141 20.21,1142 1.69,1143 32.668,1144 15.489,1145 1.064,1146 3.04,1147 28.574,1148 2.005,1149 17.195,1150 21.588,1152 34.967,1153 16.541,1154 2605,1155 5156,1156 11.849,1157 20.04,1158 29.016,1159 29.979,1160 30.521,1161 28.624,1162 28.499,1163 38.069,1164 2.117,1165 83.132,1166 27.178,1167 5.293,1168 5.653,1169 5.898,1170 5.076,1171 5.093,1172 7.125,1173 2.117,1174 17.257,1175 4.957,1176 10.966,1177 1.527,1178 1.578,1179 1.606,1180 1.507,1181 1.5,1182 2.004,1183 0.111,1184 4.375,1185 1.43,1186 3.972,1187 3.991,1188 4.055,1189 3.867,1190 7.43,1191 3.873,1192 3.864,1193 3.877,1194 3.864,1195 3.715,1196 6.469,1197 3.739,1198 3.337,1199 3.393,1200 3.313,1201 3.114,1202 5.236,1203 3.135,1204 3.169,1205 3.229,1206 3.132,1207 2.978,1208 4.639,1209 2.977,1210 2.95,1211 3.031,1212 3.017,1213 2.751,1214 4.526,1215 2.739,1216 2.72,1217 2.763,1218 2.748,1219 2.475,1220 3.956,1221 2.484,1222 2.623,1223 2.692,1224 2.576,1225 2.309,1226 3.833,1227 2.303,1228 2.341,1229 2.318,1230 2.357,1231 1.993,1232 3.726,1233 2.051,1234 0.234,1235 0.192,1236 0.346,1237 0.213,1238 0.163,1239 4.453,1240 0.217,1241 3.653,1242 0.056,1243 6.575,1244 0.538,1245 4.053,1246 0.156,1247 3.093,1248 4.125,1249 1.058,1250 10.223,1251 2.957,1252 1.907,1253 1.884,1254 2.016,1255 2.013,1256 1.125,1257 2.013,1258 1.582,1259 1.566,1260 1.732,1261 1.717,1262 0.851,1263 1.723,1264 1.355,1265 1.316,1266 1.548,1267 1.662,1268 0.597,1269 1.612,1270 1.182,1271 1.123,1272 1.417,1273 1.427,1274 0.43,1275 1.442,1276 0.912,1277 0.859,1278 1.115,1279 1.184,1280 0.201,1281 1.147,1282 0.622,1283 0.551,1284 0.903,1285 0.968,1287 0.954,1288 0.564,1289 0.488,1290 0.798,1291 0.939,1293 0.924,1294 0.472,1295 0.446,1296 0.699,1297 0.834,1299 0.831,1300 3.664,1302 4.99,1303 2.398,1304 6.497,1305 4.727,1306 8.082,1307 6.783,1308 9.707,1310 3.48,1311 5.861,1314 9.611,1317 2.514,1326 19.649,1327 53.053,1328 113.862,1329 120.617,1330 131.372,1331 131.372,1332 131.372,1333 36.284,1334 5.979,1335 75.36,1336 75.36,1337 11,1338 11.972,1339 3.7,1340 2.907,1341 30.957,1342 50,1343 40,1344 0.318,1345 127.438,1346 217.38,1347 302.708,1348 2391,1349 3.4,1350 13.284,1351 0.738,1352 0.588,1353 13.784,1354 10.577,1355 8.486,1356 0.447,1357 0.294,1358 5.16,1359 7.832,1360 4.937,1361 4.139,1362 8.775,1363 5.593,1364 7.946,1365 0.294,1366 0.158,1367 8.28,1368 4.264,1369 6.558,1370 0.193,1371 0.084,1372 7.057,1373 2.842,1374 4.837,1375 0.121,1376 0.04,1377 5.168,1378 1.584,1379 3.516,1380 0.082,1381 0.021,1382 3.652,1383 0.92,1384 0.483,1385 57.017,1386 0.291,1387 17.882,1388 0.913,1389 92,1390 343.802,1391 119.155,1392 357.023,1393 465.98,1394 328,1395 107,1396 320.806,1397 134.325,1398 329.59,1399 476.42,1400 307,1401 5.508}
{0 CHEMBL1585674,1 1.564,2 12.296,3 3.503,4 12.272,5 106.144,6 7.479,7 0.414,8 4.032,9 4.147,10 3.591,11 3.565,12 5.094,13 3.532,14 4.586,15 4.753,16 3.946,17 3.971,18 5.611,19 3.903,20 4.912,21 5.123,22 4.006,23 4.142,24 5.837,25 4.035,26 5.044,27 5.29,28 3.914,29 4.071,30 6.01,31 3.943,32 5.005,33 5.284,34 3.745,35 3.931,36 5.959,37 3.807,38 4.695,39 4.926,40 3.82,41 3.882,42 5.693,43 3.786,44 4.713,45 4.918,46 3.799,47 3.971,48 5.815,49 3.85,50 4.829,51 5.075,52 3.7,53 3.968,54 5.799,55 3.798,56 0.037,57 0.707,58 11.027,59 4.974,60 9.156,61 6.492,62 0.28,63 1.148,64 21.478,65 8.443,66 31.85,67 11.248,68 0.287,69 1.467,70 33.196,71 11.674,72 39.389,73 15.809,74 0.495,75 1.535,76 39.684,77 12.535,78 74.784,79 17.216,80 0.873,81 1.389,82 41.305,83 11.32,84 97.333,85 15.658,86 0.442,87 1.144,88 27.47,89 9.162,90 46.621,91 12.604,92 0.366,93 1.204,94 25.729,95 9.825,96 67.024,97 13.287,98 0.488,99 1.235,100 34.552,101 11.333,102 65.967,103 15.48,104 11,105 39,106 0.264,107 0.575,108 0.721,109 0.831,110 0.851,111 0.851,112 3.339,113 0.991,114 -4.34,115 -4.28,116 -4.04,120 40.4,122 3,124 1,126 4,143 9,145 3,160 1,174 9,176 1,177 5,180 2,182 3,185 12,189 4,194 4,197 4,201 10,206 4,209 3,214 3,217 2,219 1,222 4,226 1,227 5,232 1,235 11,243 1,244 1,245 2,247 9,251 1,252 2,255 1,257 2,260 9,264 2,269 3,271 3,274 1163,275 18.336,276 18.336,277 18.336,278 18.336,279 18.336,280 16.679,281 20.417,282 10.88,283 18.774,284 14.196,285 14.196,286 14.196,287 14.196,288 14.196,289 11.789,290 23.578,291 5.055,292 14.932,293 4.136,294 2.291,295 1.424,296 0.769,297 0.654,298 0.654,299 4.022,303 1,305 1,306 1,307 1,308 705,309 3.606,313 312.674,320 2.233,321 27.821,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 58.333,333 332,334 4.349,335 3.696,336 7.195,337 4.337,338 3.345,339 3.666,340 1.701,341 12.584,342 3.321,343 4.095,344 3.352,345 6.043,346 3.759,347 2.809,348 3.447,349 0.86,350 8.678,351 2.657,352 3.895,353 2.968,354 5.477,355 3.487,356 2.549,357 3.35,358 0.563,359 7.321,360 2.382,361 3.838,362 2.859,363 5.339,364 3.461,365 2.515,366 3.048,367 0.075,368 6.964,369 2.372,370 3.258,371 2.369,372 4.77,373 2.85,374 1.958,375 2.485,377 5.355,378 1.684,379 2.941,380 2.198,381 4.11,382 2.524,383 1.57,384 2.108,386 3.503,387 1.486,388 2.697,389 1.805,390 3.802,391 2.348,392 1.368,393 1.761,395 3.244,396 1.31,397 2.597,398 1.332,399 3.794,400 2.153,401 1.166,402 1.553,404 2.572,405 1.132,406 2.5,407 1.277,408 3.559,409 2.05,410 1.096,411 1.5,413 2.419,414 1.036,415 2.229,416 1.129,417 3.482,418 2,419 1,420 1.207,422 2.372,423 1,424 2,425 1.077,426 3.417,427 1.984,428 1,429 1,431 2.136,432 0.983,433 1.524,434 1,435 3.247,436 1.389,437 0.505,438 0.511,440 0.781,441 0.44,442 1.194,443 0.51,444 2.899,445 1.002,446 0.07,447 0.075,449 0.171,450 0.065,451 1.168,452 0.283,453 2.678,454 0.785,455 -0.199,456 -0.246,458 -0.485,459 -0.19,460 0.886,461 0.204,462 2.445,463 0.51,464 -0.42,465 -0.498,467 -0.903,468 -0.269,469 13.014,470 0.482,471 0.572,472 0.021,473 31.5,474 1.167,475 14.5,476 0.537,477 17,478 0.63,479 24.653,480 0.913,481 30.186,482 0.58,483 22.146,484 0.82,485 6.147,486 0.228,487 6.953,488 0.258,489 0.106,490 0.038,491 0.184,496 0.807,497 1.328,498 0.702,499 1.057,500 0.708,501 0.985,502 0.84,503 1.104,504 0.809,505 0.993,506 0.665,507 1.017,508 0.993,509 1.2,510 0.989,511 1.138,512 0.796,513 1.122,514 1.197,515 1.158,516 0.906,517 1.071,518 1.316,519 1.067,520 1.456,521 0.608,522 0.879,523 0.586,524 1.475,525 0.683,526 0.837,527 0.907,528 0.707,529 0.886,530 0.807,531 0.879,532 0.798,533 1.128,534 0.886,535 1.103,536 1.076,537 1.161,538 0.845,539 0.992,540 1.157,541 1.093,542 1.015,543 1.113,544 6,545 0.099,546 2.667,547 1.375,548 1.147,549 0.903,550 0.487,551 0.314,552 0.233,553 0.214,554 9691,555 27248,556 2.048,557 48.1,559 17,562 2,564 6,567 1.697,568 1.94,569 3.578,570 0.231,572 1,575 81.333,576 1.564,577 3.41,578 4.277,579 4.931,580 5.047,581 5.047,582 3.134,583 4.385,584 4.723,585 3.778,586 1326.1,587 8.178,588 17893.7,590 1,592 1,593 296.423,594 1.369,595 4.689,596 0.207,597 0.006,598 0.068,599 0.035,600 0.036,601 0.031,602 0.015,603 0.01,604 0.009,605 0.011,606 0.428,607 0.17,608 1,609 0.704,610 136.77,611 -0.057,612 -0.107,613 0.018,614 -0.016,615 -0.055,616 0.014,617 0.038,618 0.04,619 -0.018,620 -0.001,621 0.03,622 -0.044,623 -0.092,624 -0.16,625 -0.099,626 -0.158,627 -0.033,628 -0.144,629 -0.08,630 -0.207,631 -0.033,632 -0.146,633 -0.085,634 -0.12,635 -0.106,636 0.293,637 0.055,638 0.293,639 -0.119,640 0.232,641 0.111,642 0.094,643 0.127,644 0.069,645 0.091,646 0.092,647 0.058,648 -0.088,649 -0.09,650 -0.121,651 0.061,652 -0.178,653 0.047,654 -0.054,655 -0.107,656 -0.092,657 -0.034,658 -0.111,659 1.802,660 5.462,661 0.667,662 30.299,663 1.002,664 1.126,665 3.114,666 9.7,667 0.661,668 3.401,669 3.689,670 3.892,671 4.043,672 4.22,673 4.234,674 4.22,675 4.234,676 4.317,677 4.419,678 7.309,679 0.622,680 388.93,681 3.401,682 4.92,683 5.74,684 6.592,685 7.425,686 8.282,687 9.12,688 9.981,689 10.823,690 11.686,691 3.8,698 2,709 9,714 3,716 12,735 1,737 1,738 52,739 13,740 2,741 29,743 54,744 21,745 12,746 3,747 9,752 3,753 3,754 1,757 1,759 1,760 1,762 1,763 2,766 3,768 13,769 8,772 1,778 1,782 1,786 1,789 25,790 5,791 2,792 6,793 1,797 2,803 1,804 3,805 1,823 3,853 1,855 3,860 1,862 27,868 1,869 7,871 1,872 1,875 1,876 1,885 1,886 5.8,887 1,889 1,891 1,893 13.917,894 8.876,895 6.111,896 3.094,898 1.783,899 1.255,900 0.926,901 6.994,902 8.786,903 3.611,904 4.094,905 4.5,906 4.9,907 5.295,908 5.154,909 5.154,910 5.347,911 5.401,912 5.643,913 1,914 39,915 10.024,917 4.209,918 7.779,919 19.226,921 15.748,924 2.279,925 61.528,927 1,928 1,929 270.735,930 117.47,931 21.135,932 39.149,933 78.828,936 117.47,937 388.712,938 21.135,940 37.542,941 127.97,942 25.145,943 22.501,944 4.276,945 270.735,946 39.149,947 270.735,948 138.605,949 78.828,950 39.149,952 200.109,953 106.771,954 42.683,956 37.542,957 101.063,958 39.149,960 270.735,961 99.963,962 156.619,965 270.735,966 32.184,967 88.411,968 18.011,969 117.977,970 270.735,971 99.963,972 156.619,973 0.572,974 0.33,975 0.164,976 0.084,977 17,978 7,979 0.111,980 6,982 1,983 3.996,984 213.819,986 18,987 120.382,993 19.993,994 9.445,995 5.611,997 99.963,998 16.787,1003 2.107,1005 60.694,1006 527.317,1007 36,1013 12.462,1017 -0.135,1020 52.112,1021 58.551,1022 0.274,1023 0.598,1024 0.75,1025 0.865,1026 0.885,1027 0.885,1028 4.836,1029 1.166,1030 5.727,1031 3.244,1032 4.369,1033 4.779,1034 2.069,1035 6.518,1036 4.275,1037 6.003,1038 1.096,1039 7.281,1040 2.572,1041 4.007,1042 4.425,1043 1.305,1044 7.753,1045 3.867,1046 7.29,1047 1,1048 8.951,1049 2.419,1050 5.999,1051 6.793,1052 2.596,1053 10.697,1054 5.843,1055 8.609,1056 1,1057 10.698,1058 2.372,1059 6.494,1060 7.173,1061 2.473,1062 12.82,1063 6.327,1064 9.96,1065 0.505,1066 12.499,1067 2.136,1068 7.96,1069 9.059,1070 3.415,1071 15.406,1072 7.779,1073 11.33,1074 0.07,1075 14.34,1076 0.781,1077 8.834,1078 9.77,1079 3.608,1080 17.814,1081 8.659,1082 12.715,1083 -0.199,1084 16.209,1085 0.171,1086 10.107,1087 11.438,1088 4.365,1089 20.341,1090 9.925,1091 3.345,1092 -0.42,1093 18.101,1094 -0.485,1095 11.153,1096 12.328,1097 4.717,1098 22.834,1099 10.981,1100 2.809,1101 12.584,1102 20.009,1103 -0.903,1104 12.361,1105 13.873,1106 5.374,1107 25.358,1108 12.186,1109 2.549,1110 8.678,1111 21.931,1112 3.666,1113 13.485,1114 14.876,1115 5.808,1116 27.877,1117 13.318,1118 2.515,1119 7.321,1120 23.862,1121 3.447,1122 14.675,1123 16.342,1124 6.409,1125 30.404,1126 14.509,1127 1.958,1128 6.964,1129 25.802,1130 3.35,1131 15.838,1132 17.423,1133 6.887,1134 32.931,1135 15.676,1136 1.57,1137 5.355,1138 27.748,1139 3.048,1140 17.027,1141 18.834,1142 7.458,1143 35.461,1144 16.865,1145 1.368,1146 3.503,1147 29.699,1148 2.485,1149 18.208,1150 19.97,1151 7.96,1152 37.991,1153 18.048,1154 9370,1155 15836,1156 19.356,1157 34.37,1158 42.052,1159 43.489,1160 44.336,1161 42.034,1162 41.899,1163 51.423,1164 6.4,1165 116.201,1166 39.733,1167 5.349,1168 5.696,1169 6.997,1170 5.389,1171 5.345,1172 6.666,1173 2.972,1174 18.846,1175 5.321,1176 11.703,1177 1.45,1178 1.5,1179 1.529,1180 1.449,1181 1.445,1182 1.773,1183 0.221,1184 4.007,1185 1.37,1186 3.975,1187 4.018,1188 4.004,1189 3.868,1190 7.429,1191 3.866,1192 3.889,1193 3.916,1194 3.852,1195 3.816,1196 6.456,1197 3.812,1198 3.855,1199 3.891,1200 3.781,1201 3.766,1202 4.946,1203 3.759,1204 3.517,1205 3.568,1206 3.485,1207 3.286,1208 4.86,1209 3.31,1210 3.273,1211 3.323,1212 3.285,1213 3.027,1214 4.387,1215 3.048,1216 3.122,1217 3.206,1218 3.112,1219 2.941,1220 4.358,1221 2.91,1222 3.111,1223 3.182,1224 2.938,1225 2.861,1226 4.225,1227 2.87,1228 2.879,1229 2.925,1230 2.866,1231 2.787,1232 3.874,1233 2.764,1234 0.15,1235 0.127,1236 0.248,1237 0.15,1238 0.115,1239 4.349,1240 0.126,1241 3.696,1242 0.059,1243 7.195,1244 0.434,1245 4.337,1246 0.115,1247 3.345,1248 3.666,1249 1.701,1250 12.584,1251 3.321,1252 1.912,1253 1.875,1254 2.085,1255 2.069,1256 1.494,1257 2.075,1258 1.878,1259 1.853,1260 1.996,1261 1.977,1262 1.063,1263 1.984,1264 1.855,1265 1.82,1266 1.968,1267 1.952,1268 1.051,1269 1.966,1270 1.443,1271 1.383,1272 1.689,1273 1.691,1274 0.966,1275 1.688,1276 1.189,1277 1.138,1278 1.513,1279 1.483,1280 0.825,1281 1.474,1282 1.153,1283 1.064,1284 1.453,1285 1.376,1286 0.646,1287 1.429,1288 1.037,1289 0.973,1290 1.28,1291 1.36,1292 0.308,1293 1.343,1294 0.886,1295 0.824,1296 1.181,1297 1.062,1298 0.219,1299 1.107,1300 4.078,1302 5.371,1304 6.866,1306 8.444,1308 10.061,1311 5.959,1314 9.94,1315 4.155,1317 2.878,1318 5.784,1321 1.785,1322 -0.193,1326 32.336,1327 81.333,1328 177.306,1329 222.384,1330 256.423,1331 262.423,1332 262.423,1333 57.628,1334 7.003,1335 61.8,1336 61.8,1337 18,1338 12.239,1339 3.807,1340 3,1341 47.218,1342 119,1343 111,1344 0.193,1345 203.448,1346 358.08,1347 488.173,1348 10461,1349 1.9,1350 19.115,1351 0.708,1352 0.592,1353 19.615,1354 15.991,1355 13.1,1356 0.452,1357 0.33,1358 9.12,1359 12.347,1360 8.904,1361 7.331,1362 13.389,1363 9.582,1364 11.438,1365 0.293,1366 0.191,1367 11.846,1368 7.434,1369 9.44,1370 0.197,1371 0.113,1372 9.702,1373 5.402,1374 7.335,1375 0.131,1376 0.063,1377 7.604,1378 3.532,1379 5.491,1380 0.082,1381 0.035,1382 5.657,1383 2.367,1384 0.31,1385 84.952,1386 0.227,1387 26.571,1388 0.507,1389 136,1390 391.802,1391 163.35,1392 402.661,1393 528.57,1394 376,1395 155,1396 348.539,1397 176.398,1398 361.811,1399 523.53,1400 340,1401 4.347}
{0 CHEMBL1586722,1 1.574,2 9.967,3 4.243,4 18.001,5 112.895,6 7.911,7 0.515,8 4.04,9 4.141,10 3.66,11 3.602,12 5.221,13 3.592,14 4.564,15 4.709,16 4.012,17 3.994,18 5.811,19 3.968,20 4.827,21 5.008,22 4.096,23 4.166,24 5.898,25 4.115,26 4.865,27 5.04,28 4.143,29 4.202,30 5.989,31 4.152,32 4.975,33 5.171,34 4.204,35 4.213,36 6.139,37 4.173,38 4.99,39 5.191,40 4.221,41 4.172,42 6.252,43 4.144,44 4.937,45 5.122,46 4.125,47 4.128,48 6.199,49 4.094,50 4.88,51 5.068,52 3.945,53 4.044,54 6.094,55 3.982,56 0.134,57 0.719,58 9.094,59 4.609,60 8.903,61 5.64,62 0.386,63 1.166,64 17.796,65 7.607,66 56.932,67 9.496,68 0.513,69 1.469,70 25.657,71 9.995,72 63.54,73 12.644,74 0.331,75 1.57,76 25.171,77 10.297,78 47.819,79 13.104,80 0.47,81 1.692,82 30.304,83 11.237,84 59.259,85 14.374,86 0.651,87 1.654,88 32.019,89 11.187,90 80.569,91 14.398,92 0.619,93 1.52,94 30.147,95 10.933,96 89.421,97 13.334,98 0.647,99 1.398,100 28.998,101 10.637,102 89.33,103 12.884,104 27,105 46,106 0.26,107 0.592,108 0.756,109 0.863,110 0.895,111 0.895,112 3.442,113 0.889,114 -4.36,115 -4.3,116 -4.05,120 45.1,121 1,123 1,126 3,137 1,138 1,143 10,144 2,145 1,147 2,159 1,167 2,174 12,176 2,177 9,185 13,188 2,189 11,197 12,200 1,201 10,209 10,213 2,214 14,222 8,226 4,227 18,235 8,239 2,240 13,247 11,251 2,252 9,260 11,263 4,264 10,271 9,274 1544,275 20.438,276 20.438,277 20.438,278 20.438,279 20.438,280 17.781,281 17.948,282 12.295,283 20.821,284 16.317,285 16.317,286 16.317,287 16.317,288 16.317,289 12.285,290 24.102,291 5.797,292 16.832,293 4.099,294 2.088,295 1.098,296 0.446,297 0.25,298 0.25,299 4.139,306 1,307 1,308 641,309 3.742,313 280.518,317 238.508,320 1.307,321 35.011,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 65.5,333 299,334 4.562,335 3.75,336 6.909,337 4.259,338 3.28,339 4.362,340 2.612,341 11.648,342 3.214,343 4.378,344 3.7,345 6.301,346 3.902,347 2.925,348 4.018,349 2.473,350 9.54,351 2.859,352 3.96,353 3.467,354 6.096,355 3.597,356 2.625,357 3.449,358 0.841,359 8.826,360 2.552,361 3.828,362 2.955,363 5.672,364 3.401,365 2.425,366 3.321,367 0.68,368 7.539,369 2.348,370 3.685,371 2.744,372 5.081,373 3.193,374 2.227,375 2.872,376 0.297,377 6.041,378 2.141,379 3.253,380 2.455,381 4.795,382 2.91,383 1.956,384 2.453,386 5.212,387 1.858,388 3.197,389 1.877,390 4.557,391 2.708,392 1.726,393 2.427,395 4.678,396 1.692,397 3.118,398 1.812,399 4.402,400 2.603,401 1.618,402 2.367,404 4.305,405 1.591,406 2.914,407 1.618,408 3.87,409 2.422,410 1.428,411 2.101,413 3.096,414 1.418,415 2.781,416 1.453,417 3.686,418 2.265,419 1.274,420 1.877,422 2.908,423 1.261,424 2.425,425 1.321,426 3.607,427 2.052,428 1.1,429 1.395,431 2.649,432 1.041,433 2.17,434 1.156,435 3.444,436 1.917,437 0.948,438 1.074,440 1.816,441 0.908,442 2.125,443 1,444 3.162,445 1.683,446 0.694,447 1.008,449 1.586,450 0.686,451 1.855,452 0.881,453 3.021,454 1.425,455 0.444,456 0.581,458 1.138,459 0.434,460 1.08,461 0.672,462 2.669,463 0.684,464 -0.277,465 -0.307,467 -0.616,468 -0.262,469 14.033,470 0.468,471 0.695,472 0.023,473 41.75,474 1.392,475 22.5,476 0.75,477 19.25,478 0.642,479 23.258,480 0.775,481 31.567,482 0.619,483 34.377,484 1.146,485 8.398,486 0.28,487 6.165,488 0.206,489 0.107,491 0.342,496 0.489,497 1.178,498 0.689,499 1.025,500 0.495,501 0.925,502 0.674,503 1.082,504 0.834,505 0.96,506 0.43,507 0.927,508 0.951,509 0.969,510 0.964,511 0.86,512 0.858,513 0.907,514 0.837,515 1.202,516 1.012,517 1.134,518 0.813,519 1.106,520 0.993,521 1.065,522 0.955,523 1.031,524 0.926,525 0.983,526 1.047,527 1.001,528 0.895,529 0.949,530 1.057,531 0.895,532 1.314,533 0.986,534 1.049,535 0.996,536 1.343,537 0.976,538 1.382,539 0.978,540 1.198,541 1.047,542 1.495,543 1.09,544 5.5,545 0.132,546 3.111,547 1.875,548 2.053,549 1.417,550 0.955,551 0.649,552 0.472,553 0.238,554 10285,555 30579,556 2.087,557 41.2,559 16,560 1,564 4,567 1.739,568 1.957,569 3.25,570 -0.759,572 1,575 80.258,576 1.574,577 3.584,578 4.575,579 5.226,580 5.422,581 5.422,582 2.659,583 4.548,584 4.874,585 3.396,586 1477.39,587 8.564,588 19843.2,590 1,592 1,593 289.294,594 1.4,595 4.839,596 0.167,597 0.007,598 0.068,599 0.038,600 0.04,601 0.027,602 0.018,603 0.014,604 0.012,605 0.008,606 0.397,607 0.17,608 1,609 1.399,610 150.514,611 0.153,612 -0.052,613 0.066,614 -0.012,615 0.001,616 -0.004,617 0.126,618 -0.005,619 0.018,620 0.031,621 0.176,622 0.011,623 -0.081,624 0.062,625 -0.044,626 0.125,627 -0.117,628 0.056,629 -0.078,630 -0.14,631 -0.125,632 -0.158,633 -0.066,634 -0.152,635 -0.066,636 -0.031,638 -0.071,639 -0.028,640 -0.027,641 0.034,642 0.009,643 0.104,644 0.003,645 0.038,646 0.058,647 -0.114,648 -0.011,649 -0.052,650 -0.026,651 -0.096,652 -0.026,653 -0.157,654 -0.037,655 -0.19,656 -0.065,657 -0.191,658 -0.126,659 2.308,660 5.181,661 0.667,662 27.964,663 1.011,664 1.119,665 3.133,666 9.816,667 0.68,668 3.526,669 3.85,670 4.143,671 4.477,672 4.796,673 4.942,674 5.142,675 5.298,676 5.442,677 5.429,678 5.982,679 0.66,680 403.47,681 3.526,682 5.069,683 5.927,684 6.821,685 7.708,686 8.615,687 9.515,688 10.427,689 11.335,690 12.249,691 5.9,697 1,701 1,703 1,708 2,709 10,710 1,714 3,716 17,732 1,738 51,739 21,740 2,741 33,743 54,744 23,745 15,746 4,747 8,748 2,752 4,753 6,759 1,764 1,768 18,769 5,770 1,772 4,775 1,778 3,780 1,782 2,786 1,789 21,790 6,792 7,797 3,803 0.5,804 4,816 1,823 4,827 2,841 1,846 1,850 1,855 2,859 1,862 30,869 3,872 1,874 1,875 1,886 7.8,889 1,891 1,892 2,893 15.333,894 9.517,895 6.667,896 3.157,898 3.883,899 1.491,900 0.979,901 5.777,902 11.795,903 3.839,904 4.443,905 4.99,906 5.605,907 6.236,908 6.574,909 7.049,910 7.499,911 7.956,912 8.17,913 0.857,914 50,915 11.127,917 4.807,918 7.933,919 20.883,921 17.167,924 2.433,925 73,927 1,928 1,929 247.193,930 145.232,931 25.58,933 86.892,936 145.232,937 334.085,938 25.58,939 14.495,940 17.851,941 94.762,942 49.122,943 30.726,944 11.771,945 235.422,946 50.747,947 247.193,948 170.812,949 86.892,952 200.109,953 83.229,954 50.747,956 22.53,957 131.496,958 16.786,960 247.193,961 112.472,962 145.232,965 247.193,966 32.597,967 121.429,969 103.677,970 247.193,971 112.472,972 145.232,973 0.571,974 0.327,975 0.194,976 0.117,977 22,978 10,979 0.13,980 7,981 2,982 1.2,983 3.962,984 281.362,985 0.2,986 20,987 145.207,993 20.056,994 8.641,995 4.221,996 1.804,997 106.802,998 19.001,999 4.746,1003 2.219,1006 504.897,1007 45.5,1010 -0.308,1013 35.144,1015 1.796,1017 0.35,1020 51.567,1021 57.069,1022 0.277,1023 0.632,1024 0.807,1025 0.921,1026 0.956,1027 0.956,1028 5.07,1029 1.618,1030 5.911,1031 4.678,1032 4.533,1033 5.13,1034 3.206,1035 6.746,1036 4.478,1037 6.281,1038 1.428,1039 7.477,1040 4.305,1041 4.111,1042 4.956,1043 2.966,1044 7.695,1045 4.038,1046 7.593,1047 1.274,1048 9.148,1049 3.096,1050 6.133,1051 7.334,1052 4.728,1053 10.844,1054 6.029,1055 8.94,1056 1.1,1057 10.882,1058 2.908,1059 6.538,1060 7.965,1061 5.108,1062 12.647,1063 6.417,1064 10.318,1065 0.948,1066 12.658,1067 2.649,1068 8.035,1069 9.83,1070 6.465,1071 15.319,1072 7.889,1073 11.718,1074 0.694,1075 14.463,1076 1.816,1077 8.838,1078 10.854,1079 7.105,1080 17.479,1081 8.675,1082 13.136,1083 0.444,1084 16.289,1085 1.586,1086 10.12,1087 12.497,1088 8.272,1089 19.99,1090 9.937,1091 3.28,1092 -0.277,1093 18.131,1094 1.138,1095 11.116,1096 13.726,1097 9.044,1098 22.305,1099 10.915,1100 2.925,1101 11.648,1102 19.986,1103 -0.616,1104 12.316,1105 15.265,1106 10.112,1107 24.764,1108 12.095,1109 2.625,1110 9.54,1111 21.85,1112 4.362,1113 13.402,1114 16.601,1115 10.957,1116 27.149,1117 13.163,1118 2.425,1119 8.826,1120 23.723,1121 4.018,1122 14.574,1123 18.093,1124 11.972,1125 29.595,1126 14.317,1127 2.227,1128 7.539,1129 25.603,1130 3.449,1131 15.704,1132 19.485,1133 12.858,1134 32.012,1135 15.428,1136 1.956,1137 6.041,1138 27.489,1139 3.321,1140 16.87,1141 20.956,1142 13.843,1143 34.456,1144 16.575,1145 1.726,1146 5.212,1147 29.379,1148 2.872,1149 18.022,1150 22.379,1151 14.754,1152 36.89,1153 17.707,1154 9973,1155 17324,1156 22.076,1157 34.688,1158 49.897,1159 51.283,1160 51.145,1161 49.354,1162 49.342,1163 66.613,1164 13.807,1165 141.965,1166 48.007,1167 5.46,1168 5.75,1169 6.68,1170 5.305,1171 5.28,1172 7.362,1173 4.612,1174 19.28,1175 5.214,1176 14.395,1177 1.512,1178 1.554,1179 1.55,1180 1.496,1181 1.495,1182 2.019,1183 0.418,1184 4.302,1185 1.455,1186 4.112,1187 4.142,1188 4.071,1189 4.036,1190 7.814,1191 4.04,1192 3.981,1193 4.01,1194 3.932,1195 3.907,1196 7.432,1197 3.908,1198 3.736,1199 3.772,1200 3.695,1201 3.529,1202 6.999,1203 3.531,1204 3.63,1205 3.659,1206 3.544,1207 3.38,1208 4.999,1209 3.414,1210 3.536,1211 3.574,1212 3.462,1213 3.313,1214 4.76,1215 3.347,1216 3.367,1217 3.436,1218 3.212,1219 3.192,1220 4.465,1221 3.19,1222 3.219,1223 3.259,1224 3.09,1225 3.014,1226 4.421,1227 3.041,1228 2.973,1229 3.032,1230 2.874,1231 2.828,1232 4.148,1233 2.834,1234 0.138,1235 0.114,1236 0.209,1237 0.129,1238 0.099,1239 4.562,1240 0.132,1241 3.75,1242 0.079,1243 6.909,1244 0.353,1245 4.259,1246 0.097,1247 3.28,1248 4.362,1249 2.612,1250 11.648,1251 3.214,1252 2.061,1253 2.037,1254 2.139,1255 2.157,1256 1.352,1257 2.151,1258 1.964,1259 1.938,1260 2.061,1261 2.068,1262 1.192,1263 2.063,1264 1.616,1265 1.581,1266 1.813,1267 1.916,1268 0.949,1269 1.838,1270 1.536,1271 1.493,1272 1.767,1273 1.795,1274 0.91,1275 1.792,1276 1.45,1277 1.403,1278 1.636,1279 1.664,1280 0.814,1281 1.673,1282 1.361,1283 1.294,1284 1.583,1285 1.561,1286 0.672,1287 1.574,1288 1.15,1289 1.113,1290 1.33,1291 1.376,1292 0.422,1293 1.371,1294 0.951,1295 0.898,1296 1.172,1297 1.137,1298 0.219,1299 1.151,1300 4.205,1302 5.525,1304 7.055,1306 8.692,1308 10.39,1310 1.759,1315 0.054,1318 5.116,1320 -0.469,1321 1.788,1326 33.665,1327 80.258,1328 182.801,1329 233.32,1330 266.539,1331 276.539,1332 276.539,1333 60.55,1334 7.912,1335 88.25,1336 88.25,1337 24,1338 12.763,1339 4.459,1340 3.755,1341 46.492,1342 103,1343 128,1344 0.216,1345 205.987,1346 363.44,1347 494.369,1348 28797,1350 21.087,1351 0.703,1352 0.551,1353 21.087,1354 16.524,1355 14.563,1356 0.441,1357 0.296,1358 9.638,1359 13.932,1360 9.436,1361 7.788,1362 14.563,1363 9.774,1364 13.073,1365 0.284,1366 0.153,1367 13.073,1368 7.033,1369 10.571,1370 0.171,1371 0.083,1372 10.571,1373 5.123,1374 9.455,1375 0.109,1376 0.044,1377 9.455,1378 3.832,1379 8.165,1380 0.068,1381 0.023,1382 8.165,1383 2.772,1384 0.327,1385 91.782,1386 0.213,1387 27.622,1388 0.636,1389 158,1390 509.877,1391 174.179,1392 486.096,1393 653.88,1394 452,1395 187,1396 479.738,1397 202.08,1398 477.28,1399 693.97,1400 450,1401 4.153}
{0 CHEMBL1586980,1 1.809,2 10.846,3 3.455,4 11.936,5 106.505,6 8.688,7 0.571,8 3.91,9 4.033,10 3.65,11 3.481,12 5.056,13 3.437,14 4.428,15 4.607,16 4.049,17 3.859,18 5.533,19 3.796,20 4.639,21 4.821,22 4.136,23 3.979,24 5.763,25 3.882,26 4.776,27 5.046,28 4.043,29 3.917,30 5.77,31 3.791,32 4.49,33 4.668,34 3.932,35 3.777,36 5.73,37 3.688,38 4.512,39 4.749,40 3.904,41 3.75,42 5.642,43 3.639,44 4.178,45 4.332,46 3.806,47 3.584,48 5.504,49 3.537,50 4.283,51 4.491,52 3.79,53 3.63,54 5.356,55 3.514,56 0.094,57 0.727,58 7.82,59 3.97,60 8.598,61 4.871,62 0.281,63 1.134,64 19.28,65 6.921,66 24.522,67 8.614,68 0.407,69 1.307,70 23.766,71 7.977,72 41.231,73 9.794,74 0.538,75 1.294,76 40.279,77 10.479,78 50.019,79 13.858,80 0.477,81 1.059,82 20.934,83 6.955,84 63.908,85 7.952,86 0.494,87 1.093,88 34.848,89 8.646,90 43.876,91 9.682,92 0.342,93 0.859,94 11.871,95 4.598,96 32.761,97 5.678,98 0.3,99 0.893,100 21.601,101 5.834,102 28.671,103 7.01,104 31,105 40,106 0.312,107 0.661,108 0.765,109 0.795,110 0.803,111 0.803,112 3.304,113 1.008,114 -4.41,115 -4.34,116 -4.09,120 37.8,121 3,126 2,131 1,143 4,144 1,145 1,147 1,148 1,149 1,159 1,162 1,167 2,174 4,176 3,177 2,180 1,182 3,185 9,188 3,189 4,194 1,197 4,200 2,201 12,209 1,213 1,214 6,217 1,222 3,226 1,227 8,230 1,235 1,239 3,240 6,243 3,247 1,252 6,260 3,264 11,269 1,271 1,274 1034,275 16.947,276 16.947,277 16.947,278 16.947,279 16.947,280 14.839,281 19.149,282 9.915,283 17.491,284 13.841,285 13.841,286 13.841,287 13.841,288 13.841,289 10.685,290 31.101,291 4.717,292 14.796,293 3.682,294 1.655,295 1.051,296 0.873,297 0.829,298 0.829,299 3.981,303 1,306 1,307 1,308 589,309 4,312 56.009,313 153.004,316 107.496,320 2.012,321 24.874,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 56.333,333 282,334 4.614,335 4.481,336 6.716,337 4.111,338 3.171,339 4.575,340 3.359,341 10.924,342 3.033,343 4.167,344 3.644,345 6.445,346 4.096,347 3.129,348 3.779,349 1.737,350 10.151,351 2.968,352 4.155,353 3.261,354 6.057,355 3.733,356 2.793,357 3.216,358 0.522,359 8.715,360 2.601,361 3.726,362 3.127,363 5.681,364 3.295,365 2.388,366 3.139,367 0.146,368 7.493,369 2.191,370 3.463,371 2.98,372 4.916,373 3.12,374 2.127,375 2.591,377 5.741,378 2.056,379 3.05,380 2.554,381 4.586,382 2.525,383 1.588,384 2.324,386 4.482,387 1.488,388 2.943,389 2.062,390 4.166,391 2.464,392 1.54,393 2.113,395 3.714,396 1.421,397 2.854,398 1.634,399 4.067,400 2.348,401 1.414,402 1.997,404 3.477,405 1.249,406 2.689,407 1.544,408 3.597,409 2.209,410 1.258,411 1.768,413 2.955,414 1.178,415 2.352,416 1.414,417 3.407,418 1.846,419 0.939,420 1.29,422 2.177,423 0.84,424 1.769,425 1.033,426 3.191,427 1.391,428 0.522,429 0.619,431 1.239,432 0.441,433 1.398,434 0.599,435 2.895,436 1.019,437 0.117,438 0.144,440 0.278,441 0.095,442 0.947,443 0.542,444 2.682,445 0.601,446 -0.327,447 -0.374,449 -0.887,450 -0.278,451 0.878,452 0.347,453 2.322,454 0.445,455 -0.481,456 -0.604,458 -1.219,459 -0.394,460 0.811,461 -0.148,462 2,463 0.322,464 -0.585,465 -0.788,467 -1.408,468 -0.534,469 12.781,470 0.492,471 0.84,472 0.032,473 32.75,474 1.26,475 16,476 0.615,477 16.75,478 0.644,479 23.638,480 0.909,481 28.019,482 0.623,483 22.56,484 0.868,485 6.109,486 0.235,487 6.223,488 0.239,489 0.199,490 0.039,491 0.266,496 0.626,497 1.251,498 0.629,499 0.929,500 0.587,501 0.914,502 0.648,503 1.146,504 0.757,505 0.951,506 0.541,507 0.817,508 1.134,509 1.21,510 1,511 1.117,512 1.2,513 1.153,514 0.829,515 0.904,516 0.92,517 0.924,518 0.769,519 0.762,520 1.643,521 1.118,522 1.016,523 0.948,524 2.276,525 1.046,526 0.981,527 1.017,528 1.417,529 1.296,530 0.74,531 0.794,532 0.926,533 1.057,534 0.79,535 0.851,536 1.09,537 0.965,538 1.052,539 1.042,540 0.976,541 0.956,542 0.795,543 1.013,544 6.5,545 0.103,546 3.111,547 1.882,548 1.156,549 0.681,550 0.556,551 0.509,552 0.281,553 0.227,554 7853,555 23929,556 2.005,557 42.2,559 8,561 1,562 1,564 9,567 1.689,568 1.846,569 3.385,570 -0.218,572 1,575 81.426,576 1.809,577 3.837,578 4.441,579 4.619,580 4.663,581 4.663,582 2.869,583 4.287,584 4.669,585 3.608,586 1172.48,587 8.084,588 14899.4,590 1,592 1,593 247.133,594 1.648,595 4.606,596 0.232,597 0.009,598 0.078,599 0.051,600 0.033,601 0.022,602 0.017,603 0.017,604 0.011,605 0.012,606 0.482,607 0.17,608 1,609 1.542,610 128.242,611 0.064,612 -0.053,613 0.044,614 -0.003,615 -0.029,616 -0.012,617 0.161,618 -0.028,619 0.113,620 0.055,621 0.129,622 0.128,623 -0.112,624 -0.13,625 -0.078,626 -0.153,627 -0.195,628 -0.234,629 0.134,630 -0.023,631 0.202,632 0.112,633 0.135,634 0.281,635 -0.225,636 -0.096,637 -0.098,638 0.009,639 -0.307,640 -0.145,641 0.054,642 0.063,643 -0.069,644 -0.008,645 0.172,646 0.222,647 0.209,648 0.094,649 -0.025,650 0.005,651 0.131,652 -0.119,653 -0.159,654 0.041,655 0.011,656 0.035,657 -0.115,658 -0.073,659 1.724,660 5.021,661 0.577,662 26.675,663 1.012,664 1.133,665 3.178,666 10.101,667 0.696,668 3.367,669 3.714,670 3.892,671 4.159,672 4.304,673 4.369,674 4.533,675 4.673,676 4.7,677 4.736,678 6.594,679 0.657,680 390.94,681 3.367,682 4.92,683 5.746,684 6.635,685 7.48,686 8.372,687 9.229,688 10.122,689 10.988,690 11.881,691 13.3,698 1,699 1,701 4,708 2,709 5,710 4,714 3,715 1,716 16,737 1,738 45,739 17,740 1,741 28,743 47,744 17,745 10,746 2,747 4,752 3,753 4,754 1,759 3,768 11,769 6,770 1,772 1,778 1,782 1,786 1,789 19,790 6,791 1,792 9,793 2,797 6,803 0.667,804 1,817 1,822 1,823 2,826 1,838 1,855 2,856 1,857 1,859 3,860 1,862 26,869 2,871 1,873 1,876 1,883 1,885 1,886 2.2,889 1,893 14.083,894 9.143,895 5.569,896 2.528,898 3.294,899 1.455,900 0.947,901 5.685,902 10.538,903 3.638,904 4.259,905 4.801,906 5.406,907 5.884,908 6.172,909 6.604,910 7.037,911 7.236,912 7.548,913 1,914 37,915 9.568,917 3.999,918 7.796,919 18.091,921 14.488,924 2.296,925 59.694,928 1,929 211.88,930 124.596,931 86.562,932 39.149,933 25.145,935 32.22,936 92.377,937 276.173,938 86.562,939 26.476,940 21.016,941 37.905,942 110.111,943 19.225,944 1.122,945 232.328,946 39.149,947 211.88,948 178.939,949 25.145,950 71.368,952 105.94,953 131.085,956 61.746,957 50.418,958 105.923,959 32.22,960 211.88,961 111.707,962 163.745,965 211.88,966 51.597,967 74.776,968 18.011,969 131.068,970 211.88,971 111.707,972 163.745,973 0.59,974 0.313,975 0.169,976 0.084,977 19,978 9,979 0.128,980 6,981 1,982 1.133,983 3.757,984 211.579,985 0.133,986 15,987 117.457,989 1,993 18.932,994 7.808,995 4.875,996 1.187,997 109.93,998 9.025,999 16.887,1003 2.224,1004 1.678,1005 18.011,1006 487.332,1007 37,1013 12.021,1017 -0.058,1020 45.523,1021 50.97,1022 0.329,1023 0.699,1024 0.809,1025 0.841,1026 0.849,1027 0.849,1028 4.883,1029 1.414,1030 5.778,1031 3.714,1032 4.394,1033 4.945,1034 3.368,1035 6.608,1036 4.267,1037 6.12,1038 1.258,1039 7.354,1040 3.477,1041 4.205,1042 4.879,1043 1.593,1044 7.735,1045 4.043,1046 7.449,1047 0.939,1048 9.037,1049 2.955,1050 6.061,1051 7.187,1052 5.572,1053 10.706,1054 5.829,1055 8.812,1056 0.522,1057 10.781,1058 2.177,1059 6.635,1060 7.925,1061 3.522,1062 12.59,1063 6.363,1064 10.204,1065 0.117,1066 12.563,1067 1.239,1068 8.035,1069 9.762,1070 7.946,1071 15.147,1072 7.706,1073 11.618,1074 -0.327,1075 14.37,1076 0.278,1077 8.929,1078 10.894,1079 5.91,1080 17.312,1081 8.556,1082 13.048,1083 -0.481,1084 16.193,1085 -0.887,1086 10.162,1087 12.537,1088 10.351,1089 19.739,1090 9.74,1091 3.171,1092 -0.585,1093 18.029,1094 -1.219,1095 11.194,1096 13.866,1097 8.482,1098 22.017,1099 10.725,1100 3.129,1101 10.924,1102 19.874,1103 -1.408,1104 12.364,1105 15.427,1106 12.763,1107 24.4,1108 11.849,1109 2.793,1110 10.151,1111 21.726,1112 4.575,1113 13.455,1114 16.853,1115 11.074,1116 26.727,1117 12.893,1118 2.388,1119 8.715,1120 23.583,1121 3.779,1122 14.603,1123 18.382,1124 15.176,1125 29.098,1126 13.996,1127 2.127,1128 7.493,1129 25.446,1130 3.216,1131 15.721,1132 19.854,1133 13.65,1134 31.448,1135 15.067,1136 1.588,1137 5.741,1138 27.311,1139 3.139,1140 16.863,1141 21.373,1142 17.59,1143 33.817,1144 16.163,1145 1.54,1146 4.482,1147 29.181,1148 2.591,1149 17.993,1150 22.868,1151 16.206,1152 36.178,1153 17.247,1154 7787,1155 13796,1156 18.087,1157 31.324,1158 42.647,1159 46.219,1160 42.877,1161 41.942,1162 41.971,1163 55.107,1164 11.53,1165 122.695,1166 39.121,1167 5.522,1168 6.481,1169 6.403,1170 5.246,1171 5.171,1172 7.575,1173 6.685,1174 18.103,1175 5.033,1176 14.964,1177 1.523,1178 1.651,1179 1.531,1180 1.498,1181 1.499,1182 1.968,1183 0.412,1184 4.382,1185 1.397,1186 4.079,1187 4.136,1188 4.146,1189 3.925,1190 7.429,1191 3.937,1192 3.871,1193 3.898,1194 3.988,1195 3.798,1196 5.224,1197 3.796,1198 3.78,1199 3.842,1200 3.754,1201 3.612,1202 4.923,1203 3.612,1204 3.452,1205 3.493,1206 3.561,1207 3.339,1208 4.644,1209 3.293,1210 3.298,1211 3.372,1212 3.299,1213 3.072,1214 4.39,1215 3.09,1216 2.996,1217 3.073,1218 3.215,1219 2.805,1220 4.341,1221 2.808,1222 2.878,1223 3.009,1224 2.993,1225 2.766,1226 4.014,1227 2.763,1228 2.874,1229 3.009,1230 2.87,1231 2.66,1232 3.737,1233 2.636,1234 0.165,1235 0.16,1236 0.24,1237 0.147,1238 0.113,1239 4.614,1240 0.163,1241 4.481,1242 0.12,1243 6.716,1244 0.39,1245 4.111,1246 0.108,1247 3.171,1248 4.575,1249 3.359,1250 10.924,1251 3.033,1252 1.917,1253 1.891,1254 2.01,1255 2.028,1256 1.175,1257 2.023,1258 1.777,1259 1.744,1260 1.975,1261 1.943,1262 1.162,1263 1.956,1264 1.732,1265 1.672,1266 1.783,1267 1.905,1268 0.933,1269 1.893,1270 1.393,1271 1.35,1272 1.547,1273 1.639,1274 0.774,1275 1.619,1276 1.291,1277 1.222,1278 1.484,1279 1.559,1280 0.598,1281 1.543,1282 0.934,1283 0.824,1284 1.417,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.816,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.889,1295 0.804,1296 1.113,1297 1.171,1298 0.173,1299 1.144,1300 4.043,1302 5.38,1303 2.398,1304 6.889,1305 4.727,1306 8.478,1307 6.843,1308 10.112,1310 5.83,1311 6.218,1315 0.711,1317 2.922,1319 1.316,1322 -0.267,1326 29.545,1327 81.426,1328 172.663,1329 199.849,1330 207.849,1331 209.849,1332 209.849,1333 49.055,1334 7.244,1335 85.59,1336 110.89,1337 17,1338 12.414,1339 4.17,1340 3.322,1341 44.427,1342 102,1343 90,1344 0.214,1345 192.467,1346 320.27,1347 461.379,1348 13591,1349 2.2,1350 18.734,1351 0.721,1352 0.627,1353 19.587,1354 16.304,1355 12.332,1356 0.44,1357 0.336,1358 8.049,1359 11.108,1360 7.588,1361 6.374,1362 13.075,1363 9.411,1364 12.061,1365 0.302,1366 0.204,1367 12.983,1368 8.148,1369 8.63,1370 0.18,1371 0.099,1372 9.778,1373 4.746,1374 7.478,1375 0.119,1376 0.052,1377 8.43,1378 3.286,1379 5.484,1380 0.075,1381 0.03,1382 6.491,1383 2.211,1384 0.338,1385 85.06,1386 0.235,1387 25.267,1388 0.582,1389 136,1390 423.358,1391 188.423,1392 462.982,1393 617.71,1394 430,1395 156,1396 421.551,1397 203.654,1398 449.194,1399 649.98,1400 417,1401 4.876}
{0 CHEMBL1587078,1 1.414,2 11.5,3 6.194,4 38.364,5 125.082,6 7.99,7 0.5,8 4.081,9 4.166,10 3.72,11 3.704,12 5.242,13 3.691,14 4.598,15 4.717,16 4.141,17 4.087,18 5.779,19 4.074,20 4.855,21 4.985,22 4.278,23 4.232,24 6.058,25 4.221,26 4.971,27 5.127,28 4.204,29 4.211,30 6.217,31 4.185,32 4.857,33 5.017,34 4.109,35 4.19,36 6.026,37 4.138,38 4.89,39 5.08,40 4.021,41 4.169,42 5.987,43 4.096,44 4.804,45 4.999,46 4.004,47 4.14,48 5.895,49 4.064,50 4.807,51 4.995,52 3.949,53 4.087,54 5.973,55 4.017,56 0.018,57 0.64,58 8.952,59 4.851,60 8.102,61 5.66,62 0.333,63 1.094,64 17.368,65 7.986,66 19.336,67 9.532,68 0.175,69 1.372,70 23.664,71 10.683,72 36.289,73 12.163,74 0.729,75 1.524,76 30.621,77 11.799,78 89.122,79 12.761,80 0.261,81 1.402,82 25.112,83 10.941,84 49.7,85 12.847,86 0.494,87 1.457,88 28.479,89 11.532,90 61.501,91 13.889,92 0.171,93 1.342,94 24.989,95 11.117,96 36.327,97 14.235,98 0.545,99 1.33,100 26.484,101 10.574,102 71.616,103 12.621,104 17,105 53,106 0.231,107 0.531,108 0.705,109 0.822,110 0.866,111 0.881,112 3.503,113 0.861,114 -6.02,115 -5.87,116 -5.46,120 50.9,121 1,125 1,133 1,136 4,143 11,144 5,145 2,158 1,159 1,174 19,176 4,177 11,185 21,189 13,197 18,200 2,201 17,209 16,214 14,222 16,226 1,227 10,235 15,240 10,247 21,251 2,252 7,260 24,264 6,271 19,274 1768,275 21.645,276 21.645,277 21.645,278 21.645,279 21.645,280 18.996,281 17.696,282 12.497,283 21.78,284 17.724,285 17.724,286 17.724,287 17.724,288 17.724,289 13.573,290 17.586,291 5.905,292 17.945,293 4.314,294 2.47,295 1.409,296 0.691,297 0.42,298 0.33,299 4.21,307 1,308 814,309 3.536,313 403.663,317 257.773,320 1.688,321 34.217,324 0.75,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.81,332 68.5,333 368,334 4.708,335 4.235,336 7.714,337 4.552,338 3.593,339 4.188,340 2.284,341 14.29,342 3.443,343 4.411,344 3.516,345 6.549,346 4.027,347 3.044,348 4.014,349 1.134,350 10.343,351 2.991,352 4.161,353 3.486,354 6.401,355 3.809,356 2.794,357 3.696,358 0.532,359 9.698,360 2.841,361 4.076,362 3.104,363 6.018,364 3.76,365 2.758,366 3.391,367 0.263,368 8.539,369 2.754,370 3.532,371 2.778,372 5.59,373 3.163,374 2.193,375 2.851,377 6.835,378 2.118,379 3.505,380 2.369,381 5.225,382 3.11,383 2.114,384 2.792,386 6.323,387 2.103,388 3.408,389 2.183,390 5.016,391 3.056,392 2.063,393 2.647,395 5.907,396 2.04,397 3.273,398 2.084,399 4.38,400 2.812,401 1.794,402 2.535,404 4.228,405 1.822,406 2.885,407 1.648,408 4.313,409 2.421,410 1.438,411 2.048,413 3.449,414 1.407,415 2.759,416 1.535,417 4.029,418 2.221,419 1.234,420 1.769,422 3.038,423 1.216,424 2.628,425 1.45,426 3.776,427 2.198,428 1.22,429 1.643,431 3.015,432 1.191,433 2.514,434 1.323,435 3.528,436 2,437 1.005,438 1.5,440 2.534,441 1,442 2.5,443 1.311,444 3.494,445 1.992,446 1,447 1.377,449 2.136,450 0.983,451 2.226,452 1,453 3.406,454 1.585,455 0.575,456 0.82,458 1.405,459 0.574,460 1.869,461 0.811,462 3.247,463 1.426,464 0.398,465 0.577,467 0.941,468 0.406,469 15.233,470 0.476,471 0.878,472 0.027,473 45.25,474 1.414,475 25,476 0.781,477 20.25,478 0.633,479 24.829,480 0.776,481 32.167,482 0.607,483 38.127,484 1.191,485 9.257,486 0.289,487 6.209,488 0.194,489 0.109,490 0.033,491 0.322,496 0.688,497 1.087,498 0.689,499 0.972,500 0.596,501 0.857,502 0.707,503 0.929,504 0.728,505 0.903,506 0.585,507 0.831,508 1.233,509 1.196,510 0.899,511 1.131,512 0.894,513 0.989,514 1.721,515 0.931,516 1.159,517 0.885,518 1.458,519 0.918,520 1.178,521 1.163,522 1.084,523 1.126,524 1.166,525 1.095,526 1.163,527 0.891,528 1.077,529 0.904,530 1.018,531 0.959,532 0.712,533 1.036,534 0.863,535 1.043,536 0.71,537 0.992,538 1.215,539 0.8,540 1.074,541 0.831,542 1.397,543 0.909,544 7,545 0.206,546 4.667,547 2.938,548 2.769,549 1.236,550 0.971,551 0.667,552 0.403,553 0.296,554 13866,555 36359,556 2.127,557 39.6,558 3,559 18,567 1.749,568 1.99,569 3.477,570 -0.836,575 74.959,576 1.414,577 3.258,578 4.319,579 5.037,580 5.308,581 5.398,582 2.924,583 4.625,584 4.97,585 3.623,586 1796.97,587 8.717,588 25279.3,593 303.58,594 1.54,595 4.926,596 0.194,597 0.007,598 0.088,599 0.05,600 0.052,601 0.025,602 0.022,603 0.015,604 0.01,605 0.008,606 0.471,607 0.5,608 0.75,609 0.531,610 165.735,611 -0.008,612 -0.095,613 0.06,614 -0.038,615 -0.087,616 0.01,617 0.26,618 0.101,619 0.128,620 0.029,621 0.054,622 0.048,623 -0.06,624 -0.216,625 0.019,626 -0.182,627 0.007,628 -0.089,629 -0.123,630 0.061,631 -0.127,632 0.072,633 -0.074,634 -0.01,635 -0.119,636 -0.174,637 -0.141,638 -0.166,639 -0.081,640 -0.159,641 -0.076,642 0.101,643 -0.074,644 0.075,645 -0.07,646 0.017,647 0.029,648 -0.07,649 0.094,650 -0.05,651 0.077,652 0.018,653 -0.051,654 0.19,655 -0.062,656 0.149,657 -0.096,658 0.062,659 2.653,660 5.986,661 0.781,662 31.453,663 1.005,664 1.104,665 4.793,666 22.972,667 0.706,668 3.611,669 3.989,670 4.317,671 4.615,672 4.927,673 5.056,674 5.247,675 5.407,676 5.587,677 5.652,678 6.707,679 0.682,680 423.49,681 3.611,682 5.187,683 6.071,684 6.982,685 7.886,686 8.805,687 9.719,688 10.644,689 11.564,690 12.493,691 1.9,698 1,709 11,714 7,716 18,721 1,724 1,735 2,738 53,739 22,740 3,741 36,743 57,744 27,745 18,746 7,747 11,748 6,752 5,753 7,759 1,768 24,769 3,772 4,778 2,780 4,782 2,789 21,790 5,792 5,797 1,803 0.4,804 4,823 5,827 2,845 4,855 2,859 2,862 32,872 2,875 1,876 1,886 7.5,889 2,891 2,893 16.083,894 10.367,895 6.875,896 3.112,898 4.34,899 1.515,900 1.008,901 4.953,902 12.763,903 3.912,904 4.516,905 5.122,906 5.674,907 6.237,908 6.479,909 6.907,910 7.28,911 7.724,912 8.069,913 0.875,914 59,915 11.897,917 5.265,918 7.789,919 22.419,921 18.755,924 2.289,925 73.25,929 247.193,930 195.618,931 3.124,933 72.29,936 195.618,937 319.483,938 3.124,939 17.222,940 3.124,941 142.144,942 60.128,943 48.415,945 247.193,947 247.193,948 198.742,949 72.29,952 247.193,953 72.29,956 11.95,957 148.888,958 37.905,960 247.193,961 75.414,962 195.618,965 247.193,966 36.253,967 162.49,969 72.29,970 247.193,971 75.414,972 195.618,973 0.593,974 0.359,975 0.196,976 0.111,977 28,978 12,979 0.053,980 3,981 2,982 1.2,983 4.194,984 315.094,985 0.16,986 26,987 156,993 20.289,994 7.812,995 3.565,997 75.414,998 20.131,1003 4.726,1006 518.225,1007 49,1013 25.566,1015 6.905,1017 -0.291,1020 53.247,1021 58.488,1022 0.247,1023 0.569,1024 0.754,1025 0.879,1026 0.927,1027 0.942,1028 5.179,1029 1.794,1030 6.098,1031 5.907,1032 4.673,1033 5.204,1034 2.532,1035 7.002,1036 4.645,1037 6.411,1038 1.438,1039 7.721,1040 4.228,1041 4.443,1042 5.007,1043 2.195,1044 8.281,1045 4.393,1046 7.742,1047 1.234,1048 9.458,1049 3.449,1050 6.389,1051 7.386,1052 3.603,1053 11.403,1054 6.317,1055 9.11,1056 1.22,1057 11.268,1058 3.038,1059 6.995,1060 7.979,1061 4.036,1062 13.553,1063 6.885,1064 10.509,1065 1.005,1066 13.127,1067 3.015,1068 8.453,1069 9.837,1070 5.048,1071 16.296,1072 8.318,1073 11.933,1074 1,1075 15.022,1076 2.534,1077 9.426,1078 10.81,1079 5.748,1080 18.768,1081 9.243,1082 13.375,1083 0.575,1084 16.944,1085 2.136,1086 10.724,1087 12.44,1088 6.636,1089 21.429,1090 10.507,1091 3.593,1092 0.398,1093 18.887,1094 1.405,1095 11.857,1096 13.612,1097 7.42,1098 24.018,1099 11.588,1100 3.044,1101 14.29,1102 20.847,1103 0.941,1104 13.111,1105 15.131,1106 8.268,1107 26.667,1108 12.8,1109 2.794,1110 10.343,1111 22.821,1112 4.188,1113 14.313,1114 16.41,1115 9.08,1116 29.297,1117 13.95,1118 2.758,1119 9.698,1120 24.807,1121 4.014,1122 15.562,1123 17.875,1124 9.913,1125 31.949,1126 15.151,1127 2.193,1128 8.539,1129 26.802,1130 3.696,1131 16.797,1132 19.212,1133 10.734,1134 34.596,1135 16.334,1136 2.114,1137 6.835,1138 28.805,1139 3.391,1140 18.05,1141 20.649,1142 11.563,1143 37.25,1144 17.538,1145 2.063,1146 6.323,1147 30.815,1148 2.851,1149 19.302,1150 22.02,1151 12.387,1152 39.904,1153 18.739,1154 12912,1155 21072,1156 24.156,1157 37.438,1158 56.365,1159 57.364,1160 57.39,1161 54.784,1162 54.731,1163 72.059,1164 8.424,1165 166.086,1166 54.054,1167 5.654,1168 6.235,1169 7.516,1170 5.625,1171 5.593,1172 7.188,1173 3.675,1174 22.565,1175 5.443,1176 14.536,1177 1.566,1178 1.593,1179 1.594,1180 1.522,1181 1.52,1182 2.002,1183 0.234,1184 4.614,1185 1.501,1186 4.066,1187 4.079,1188 4.029,1189 3.981,1190 7.43,1191 3.987,1192 3.933,1193 3.952,1194 3.887,1195 3.856,1196 7.426,1197 3.86,1198 3.895,1199 3.917,1200 3.839,1201 3.839,1202 4.985,1203 3.835,1204 3.593,1205 3.635,1206 3.516,1207 3.467,1208 4.753,1209 3.473,1210 3.477,1211 3.511,1212 3.393,1213 3.357,1214 4.725,1215 3.359,1216 3.331,1217 3.388,1218 3.228,1219 3.153,1220 4.462,1221 3.163,1222 3.084,1223 3.126,1224 2.983,1225 2.942,1226 4.191,1227 2.945,1228 2.984,1229 3.043,1230 2.865,1231 2.803,1232 4.061,1233 2.802,1234 0.131,1235 0.118,1236 0.214,1237 0.126,1238 0.1,1239 4.708,1240 0.116,1241 4.235,1242 0.063,1243 7.714,1244 0.397,1245 4.552,1246 0.096,1247 3.593,1248 4.188,1249 2.284,1250 14.29,1251 3.443,1252 1.996,1253 1.983,1254 2.078,1255 2.102,1256 1.224,1257 2.088,1258 1.915,1259 1.896,1260 2.021,1261 2.009,1262 1.099,1263 2.013,1264 1.889,1265 1.868,1266 1.994,1267 1.969,1268 1.078,1269 1.98,1270 1.56,1271 1.525,1272 1.732,1273 1.728,1274 0.842,1275 1.733,1276 1.46,1277 1.423,1278 1.652,1279 1.607,1280 0.704,1281 1.621,1282 1.302,1283 1.24,1284 1.587,1285 1.519,1286 0.647,1287 1.543,1288 1.063,1289 1.02,1290 1.322,1291 1.258,1292 0.403,1293 1.279,1294 0.964,1295 0.903,1296 1.193,1297 1.2,1298 0.249,1299 1.2,1300 4.29,1302 5.652,1304 7.231,1306 8.911,1308 10.648,1310 3.633,1318 12.543,1321 1.442,1322 -1.403,1326 36.149,1327 74.959,1328 172.658,1329 228.897,1330 266.951,1331 281.315,1332 286.07,1333 58.607,1334 8.424,1335 55.84,1336 55.84,1337 30,1338 12.998,1339 4.524,1340 3.807,1341 45.557,1342 126,1343 144,1344 0.174,1345 217.52,1346 393,1347 522.508,1348 57869,1350 22.294,1351 0.697,1352 0.554,1353 22.294,1354 17.74,1355 15.466,1356 0.43,1357 0.287,1358 10.22,1359 15.028,1360 9.921,1361 8.241,1362 15.466,1363 10.333,1364 14.379,1365 0.271,1366 0.148,1367 14.379,1368 7.865,1369 12.79,1370 0.173,1371 0.076,1372 12.79,1373 5.631,1374 10.739,1375 0.107,1376 0.04,1377 10.739,1378 3.951,1379 9.228,1380 0.067,1381 0.02,1382 9.228,1383 2.793,1384 0.269,1385 96.074,1386 0.203,1387 29.503,1388 0.489,1389 178,1390 516.587,1391 195.251,1392 497.444,1393 691.31,1394 466,1395 216,1396 522.987,1397 234.446,1398 528.063,1399 789.89,1400 498,1401 5.448}
{0 CHEMBL1587117,1 1.392,2 10.15,3 3.334,4 11.115,5 75.103,6 7.564,7 0.571,8 3.672,9 3.757,10 3.233,11 3.203,12 4.866,13 3.196,14 4.15,15 4.28,16 3.524,17 3.508,18 5.428,19 3.486,20 4.337,21 4.504,22 3.518,23 3.567,24 5.482,25 3.526,26 4.308,27 4.487,28 3.348,29 3.48,30 5.43,31 3.414,32 4.247,33 4.462,34 3.254,35 3.428,36 5.317,37 3.326,38 4.198,39 4.425,40 3.101,41 3.315,42 5.331,43 3.2,44 3.952,45 4.172,46 2.97,47 3.154,48 4.929,49 3.065,50 3.783,51 3.958,52 2.943,53 3.013,54 4.966,55 2.959,56 0.054,57 0.433,58 7.029,59 3.602,60 9.528,61 4.154,62 0.257,63 0.668,64 12.91,65 5.562,66 37.94,67 6.616,68 0.277,69 0.784,70 16.695,71 6.548,72 30.63,73 7.908,74 0.311,75 0.753,76 16.637,77 6.298,78 39.176,79 7.652,80 0.281,81 0.728,82 15.779,83 6.25,84 32.572,85 8.271,86 0.459,87 0.67,88 15.947,89 5.744,90 56.443,91 7.618,92 0.198,93 0.535,94 11.972,95 4.578,96 20.382,97 5.957,98 0.128,99 0.451,100 9.431,101 3.794,102 15.553,103 4.705,104 15,105 27,106 0.255,107 0.582,108 0.729,109 0.821,110 0.841,111 0.862,112 3.056,113 0.91,114 -4.14,115 -4.09,116 -3.86,120 44.4,121 1,126 2,143 8,144 2,145 2,159 1,168 1,172 1,174 8,175 1,177 7,180 1,182 1,185 8,186 2,189 8,194 2,197 5,198 2,201 4,206 2,209 4,210 1,213 1,214 2,215 1,219 1,222 8,226 1,230 1,235 8,240 2,247 6,248 2,252 4,257 2,260 2,261 2,264 4,269 2,271 1,274 488,275 13.508,276 13.508,277 13.508,278 13.508,279 13.508,280 11.916,281 15.214,282 8.27,283 13.849,284 10.332,285 10.332,286 10.332,287 10.332,288 10.332,289 7.924,290 16.777,291 3.855,292 10.799,293 3.778,294 1.99,295 1.188,296 0.688,297 0.577,298 0.465,299 3.718,305 1,306 1,307 1,308 416,309 3,313 142.418,320 1.665,321 21.498,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 44,333 203,334 4.196,335 3.579,336 5.976,337 3.819,338 2.822,339 3.792,340 1.437,341 8.467,342 2.808,343 4.037,344 3.023,345 5.5,346 3.607,347 2.656,348 3.635,349 1.151,350 7.403,351 2.518,352 3.636,353 2.828,354 5.257,355 3.292,356 2.325,357 2.94,358 0.86,359 6.625,360 2.256,361 3.463,362 2.548,363 5.086,364 3.074,365 2.135,366 2.751,368 6.208,369 1.975,370 2.844,371 1.906,372 3.785,373 2.377,374 1.383,375 1.942,377 3.083,378 1.363,379 2.53,380 1.558,381 3.437,382 2.031,383 1.124,384 1.5,386 2.324,387 1.007,388 2.5,389 1.23,390 3.414,391 2.005,392 1,393 1.475,395 2.275,396 1,397 2.215,398 1.042,399 3.285,400 2,401 1,402 1.199,404 2.045,405 0.994,406 1.849,407 1,408 3.044,409 1.56,410 0.66,411 0.761,413 1.437,414 0.587,415 1.132,416 0.436,417 2.367,418 0.835,419 -0.104,420 -0.121,422 -0.197,423 -0.096,424 0.791,425 0.242,426 2,427 0.409,428 -0.552,429 -0.659,431 -1.166,432 -0.525,433 0.653,434 -0.267,435 2,436 0.236,437 -0.762,438 -0.967,440 -1.676,441 -0.737,442 0.5,443 -0.591,444 1.834,445 0.051,446 -0.905,447 -1.138,449 -2,450 -0.86,451 0.411,452 -0.709,453 1.601,455 -1,456 -1.431,458 -2.284,459 -0.981,460 0.362,461 -0.997,462 1.378,463 -0.018,464 -1,465 -1.5,467 -3,468 -1,469 9.333,470 0.467,471 0.4,472 0.02,473 26.5,474 1.325,475 14.5,476 0.725,477 12,478 0.6,479 12.427,480 0.621,481 21.867,482 0.607,483 17.969,484 0.898,485 5.579,486 0.279,487 4.107,488 0.205,489 0.125,491 0.268,496 0.832,497 1.119,498 0.784,499 1.092,500 0.772,501 0.957,502 0.934,503 1.051,504 0.89,505 1.037,506 0.499,507 0.968,508 1.181,509 1.053,510 1.017,511 1.038,512 0.771,513 0.998,514 1.26,515 1.082,516 1.172,517 1.081,518 1.144,519 1.102,520 0.634,521 1.083,522 0.914,523 1.093,524 0.78,525 1.073,526 0.753,527 0.816,528 0.968,529 0.843,530 1.039,531 0.935,532 0.883,533 0.849,534 0.896,535 0.853,536 0.556,537 0.873,538 1.003,539 1.173,540 0.993,541 1.16,542 0.802,543 1.089,544 4,545 0.078,546 1.778,547 0.625,548 0.884,549 0.507,550 0.162,551 0.236,552 0.143,553 0.086,554 3941,555 12206,556 1.995,557 44.4,559 12,562 1,564 3,567 1.611,568 1.875,569 3.333,570 -0.32,572 1,574 1,575 50.117,576 1.392,577 3.18,578 3.982,579 4.482,580 4.593,581 4.705,582 2.795,583 3.446,584 4.292,585 3.469,586 659.021,587 7.297,588 7034.7,589 1,590 1,591 1,592 1,593 186.117,594 1.353,595 4.255,596 0.19,597 0.01,598 0.066,599 0.024,600 0.042,601 0.027,602 0.01,603 0.016,604 0.01,605 0.008,606 0.403,607 0.67,608 1,609 1.175,610 90.959,611 -0.059,612 -0.04,613 0.022,614 -0.029,615 -0.112,616 0.007,617 0.037,618 -0.025,619 0.01,620 -0.025,621 0.196,622 -0.016,623 -0.142,624 -0.063,625 -0.064,626 -0.058,627 -0.017,628 -0.045,629 -0.189,630 -0.106,631 -0.202,632 -0.113,633 -0.152,634 -0.152,635 0.12,636 -0.113,637 0.032,638 -0.11,639 0.019,640 -0.068,641 0.163,642 0.137,643 0.03,644 0.119,645 0.004,646 0.057,647 -0.069,648 0.12,649 0.068,650 0.127,651 -0.007,652 0.129,653 -0.076,654 -0.186,655 -0.052,656 -0.175,657 0.065,658 -0.12,659 2.604,660 3.872,661 0.6,662 16.48,663 1.011,664 1.116,665 2.912,666 8.478,667 0.664,668 3.091,669 3.332,670 3.497,671 3.638,672 3.829,673 3.714,674 3.738,675 3.689,676 3.714,677 3.761,678 5.944,679 0.641,680 272.32,681 3.091,682 4.575,683 5.371,684 6.196,685 7.011,686 7.839,687 8.66,688 9.487,689 10.311,690 11.139,709 8,714 4,716 12,725 1,735 2,738 36,739 13,740 2,741 21,743 37,744 16,745 12,746 4,747 8,748 1,752 2,753 2,759 1,768 13,769 3,772 1,778 1,782 1,785 1,786 1,789 16,790 4,791 1,792 4,803 1,804 4,823 2,853 1,855 2,859 1,862 20,868 1,869 2,872 2,886 11.1,888 1,889 1,891 2,893 10.667,894 6.617,895 4.611,896 2.14,898 2.292,899 1.368,900 0.914,901 5.017,902 8.529,903 3.367,904 3.892,905 4.376,906 4.844,907 5.354,908 5.285,909 5.469,910 5.531,911 5.892,912 6.259,913 0.857,914 26,915 7.352,917 2.985,918 7.967,919 13.725,921 10.502,924 2.467,925 49.333,929 176.567,930 111.588,933 89.828,936 111.588,937 266.395,939 8.825,940 9.185,941 75.81,942 68.738,943 38.858,945 176.567,947 176.567,948 111.588,949 89.828,952 141.253,953 125.141,956 18.01,957 93.578,960 176.567,961 89.828,962 111.588,965 176.567,966 26.953,967 84.635,969 89.828,970 176.567,971 89.828,972 111.588,973 0.56,974 0.313,975 0.158,976 0.089,977 11,978 5,979 0.162,980 6,982 1,983 3.328,984 134.209,986 12,987 82.439,993 14.41,994 6.963,995 4.267,997 89.828,998 14.04,1003 2.596,1005 42.683,1006 377.982,1007 28,1013 10.872,1017 -0.937,1020 36.378,1021 40.159,1022 0.269,1023 0.615,1024 0.77,1025 0.867,1026 0.888,1027 0.91,1028 4.543,1029 1,1030 5.313,1031 2.275,1032 4.007,1033 4.575,1034 2.225,1035 6.009,1036 3.933,1037 5.715,1038 0.66,1039 6.804,1040 2.045,1041 3.434,1042 4.205,1044 6.683,1045 3.345,1046 6.984,1047 -0.104,1048 8.388,1049 1.437,1050 5.493,1051 6.674,1052 2.648,1053 9.666,1054 5.362,1055 8.287,1056 -0.552,1057 10.026,1058 -0.197,1059 5.707,1060 7.068,1062 11.118,1063 5.562,1064 9.617,1065 -0.762,1066 11.697,1067 -1.166,1068 7.222,1069 9.022,1070 3.18,1071 13.574,1072 7.051,1073 10.966,1074 -0.905,1075 13.389,1076 -1.676,1077 7.81,1078 9.781,1080 15.358,1081 7.627,1082 12.329,1083 -1,1084 15.096,1085 -2,1086 9.072,1087 11.486,1088 3.785,1089 17.611,1090 8.873,1091 2.822,1092 -1,1093 16.813,1094 -2.284,1095 9.856,1096 12.451,1098 19.559,1099 9.647,1100 2.656,1101 8.467,1102 18.537,1103 -3,1104 10.993,1105 14.013,1106 4.437,1107 21.727,1108 10.774,1109 2.325,1110 7.403,1111 20.268,1112 3.792,1113 11.884,1114 15.106,1116 23.759,1117 11.657,1118 2.135,1119 6.625,1120 22.005,1121 3.635,1122 12.959,1123 16.581,1124 5.116,1125 25.894,1126 12.725,1127 1.383,1128 6.208,1129 23.745,1130 2.94,1131 13.908,1132 17.754,1134 27.97,1135 13.669,1136 1.124,1137 3.083,1138 25.49,1139 2.751,1140 14.954,1141 19.174,1142 5.813,1143 30.095,1144 14.71,1145 1,1146 2.324,1147 27.238,1148 1.942,1149 15.935,1150 20.399,1152 32.194,1153 15.687,1154 4013,1155 7168,1156 13.811,1157 23.909,1158 30.542,1159 31.27,1160 31.285,1161 30.214,1162 30.208,1163 39.99,1164 6.895,1165 79.736,1166 29.016,1167 5.025,1168 5.579,1169 5.746,1170 4.874,1171 4.822,1172 6.792,1173 2.873,1174 14.287,1175 4.808,1176 9.926,1177 1.454,1178 1.489,1179 1.49,1180 1.439,1181 1.438,1182 1.904,1183 0.328,1184 3.797,1185 1.382,1186 3.966,1187 3.984,1188 3.91,1189 3.889,1190 7.475,1191 3.89,1192 3.873,1193 3.892,1194 3.817,1195 3.797,1196 6.351,1197 3.798,1198 3.473,1199 3.537,1200 3.324,1201 3.261,1202 4.921,1203 3.255,1204 3.34,1205 3.346,1206 3.248,1207 3.12,1208 4.704,1209 3.146,1210 3.137,1211 3.165,1212 3.01,1213 2.921,1214 4.503,1215 2.937,1216 2.854,1217 2.925,1218 2.705,1219 2.735,1220 4.11,1221 2.715,1222 2.826,1223 2.866,1224 2.687,1225 2.675,1226 3.674,1227 2.681,1228 2.632,1229 2.689,1230 2.475,1231 2.359,1232 3.668,1233 2.39,1234 0.2,1235 0.17,1236 0.285,1237 0.182,1238 0.134,1239 4.196,1240 0.181,1241 3.579,1242 0.068,1243 5.976,1244 0.403,1245 3.819,1246 0.134,1247 2.822,1248 3.792,1249 1.437,1250 8.467,1251 2.808,1252 1.927,1253 1.909,1254 2.032,1255 2.026,1256 1.157,1257 2.026,1258 1.856,1259 1.837,1260 1.966,1261 1.958,1262 1.048,1263 1.96,1264 1.457,1265 1.385,1266 1.783,1267 1.697,1268 0.919,1269 1.726,1270 1.235,1271 1.215,1272 1.45,1273 1.495,1274 0.615,1275 1.462,1276 1.052,1277 1.023,1278 1.239,1279 1.327,1280 0.227,1281 1.301,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.787,1289 0.754,1290 1.044,1291 1.015,1292 0.134,1293 1.024,1294 0.558,1295 0.507,1296 0.935,1297 0.883,1298 0.022,1299 0.903,1300 3.761,1302 5.017,1304 6.466,1306 7.998,1308 9.57,1310 1.93,1314 8.921,1315 0.956,1318 10.956,1326 23.074,1327 50.117,1328 114.466,1329 143.362,1330 161.362,1331 165.362,1332 169.362,1333 33.61,1334 6.236,1335 55.76,1336 55.76,1337 12,1338 11.714,1339 3.807,1340 3,1341 36.734,1342 72,1343 74,1344 0.254,1345 144.954,1346 255.52,1347 345.449,1348 3701,1350 14.372,1351 0.719,1352 0.56,1353 14.372,1354 11.205,1355 9.686,1356 0.461,1357 0.303,1358 6.27,1359 9.262,1360 6.112,1361 5.099,1362 9.686,1363 6.367,1364 8.29,1365 0.307,1366 0.156,1367 8.29,1368 4.199,1369 6.413,1370 0.2,1371 0.085,1372 6.413,1373 2.714,1374 4.889,1375 0.132,1376 0.048,1377 4.889,1378 1.76,1379 3.95,1380 0.088,1381 0.025,1382 3.95,1383 1.131,1384 0.407,1385 61.086,1386 0.269,1387 20.429,1388 0.668,1389 96,1390 337.356,1391 107.514,1392 314.972,1393 416.88,1394 294,1395 107,1396 291.576,1397 116.967,1398 292.081,1399 420.78,1400 274,1401 6.796}
{0 CHEMBL1587240,1 1.664,2 10,3 1.807,4 3.267,5 89.34,6 7.337,7 0.24,8 3.921,9 4.037,10 3.651,11 3.446,12 4.842,13 3.388,14 4.548,15 4.74,16 3.951,17 3.865,18 5.689,19 3.778,20 4.846,21 5.074,22 4.033,23 4.051,24 5.817,25 3.922,26 4.931,27 5.153,28 3.906,29 3.936,30 6.104,31 3.843,32 4.757,33 4.977,34 3.679,35 3.81,36 5.925,37 3.716,38 4.666,39 4.92,40 3.515,41 3.815,42 5.442,43 3.637,44 4.715,45 5.028,46 3.422,47 3.669,48 5.72,49 3.452,50 4.349,51 4.653,52 3.261,53 3.359,54 5.184,55 3.172,56 0.071,57 0.716,58 13.458,59 4.554,60 13.013,61 6.008,62 0.5,63 1.168,64 23.114,65 7.56,66 48.634,67 10.356,68 0.312,69 1.435,70 36.765,71 11.464,72 40.519,73 14.684,74 0.7,75 1.342,76 40.648,77 10.318,78 111.541,79 13.287,80 0.767,81 1.14,82 29.801,83 8.372,84 99.251,85 11.307,86 0.259,87 1.123,88 26.561,89 9.152,90 40.885,91 13.162,92 0.572,93 1.052,94 29.4,95 8.961,96 91.273,97 13.298,98 0.233,99 0.754,100 24.123,101 6.745,102 30.764,103 9.001,104 10,105 35,106 0.289,107 0.497,108 0.624,109 0.753,110 0.763,111 0.763,112 3.188,113 1.154,114 -2.55,115 -2.57,116 -2.51,120 34.8,122 3,126 6,143 5,145 1,160 1,174 6,176 6,177 2,185 5,188 1,189 7,197 2,201 10,213 4,214 5,227 2,239 4,240 4,252 6,264 8,274 635,275 15.446,276 15.446,277 15.446,278 15.446,279 15.446,280 14.349,281 18.05,282 9.174,283 15.86,284 12.31,285 12.31,286 12.31,287 12.31,288 12.31,289 10.547,290 21.297,291 4.312,292 12.968,293 3.86,294 2.664,295 1.932,296 1.19,297 1.13,298 1.13,299 3.866,305 1,306 1,307 1,308 493,309 3.317,313 246.216,320 1.565,321 33.237,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 50.5,333 230,334 4.93,335 4.725,336 7.666,337 4.433,338 3.511,339 4.756,340 1.741,341 13.61,342 3.212,343 4.108,344 3.792,345 6.39,346 3.899,347 2.959,348 3.271,349 0.693,350 9.662,351 2.771,352 3.614,353 2.703,354 5.59,355 3.282,356 2.341,357 3.089,358 0.4,359 6.801,360 2.205,361 3.288,362 2.421,363 5.222,364 3.081,365 2.114,366 2.308,367 0.343,368 6.139,369 2.04,370 2.924,371 2.118,372 4.369,373 2.678,374 1.702,375 1.965,377 4.229,378 1.652,379 2.675,380 1.814,381 3.886,382 2.388,383 1.429,384 1.693,386 3.249,387 1.361,388 2.5,389 1.411,390 3.55,391 2.088,392 1.101,393 1.5,395 2.631,396 1.085,397 2.44,398 1.15,399 3.414,400 2,401 1,402 1.402,404 2.275,405 1,406 2.057,407 1.146,408 3.326,409 1.984,410 1,411 1,413 2.136,414 0.983,415 2,416 1.077,417 3.247,418 1.967,419 1,420 1,422 2.136,423 0.965,424 2,425 1,426 3.247,427 1.721,428 0.71,429 0.856,431 1.763,432 0.706,433 1,434 0.123,435 2.799,436 0.489,437 -0.506,438 -0.535,440 -1.205,441 -0.498,442 0.738,443 -0.065,444 2.482,445 0.264,446 -0.731,447 -0.836,449 -1.615,450 -0.684,451 0.662,452 -0.494,453 2.185,454 0.228,455 -0.757,456 -1,458 -1.651,459 -0.77,460 0.5,461 -0.6,462 2,464 -1,465 -1,467 -2.347,468 -0.9,469 11.033,470 0.48,471 0.585,472 0.025,473 25.75,474 1.12,475 10.5,476 0.457,477 15.25,478 0.663,479 20.144,480 0.876,481 26.767,482 0.582,483 18.708,484 0.813,485 4.716,486 0.205,487 6.371,488 0.277,489 0.091,490 0.076,491 0.199,496 0.515,497 1.729,498 0.853,499 1.44,500 0.557,501 1.141,502 0.632,503 1.039,504 0.873,505 0.904,506 0.485,507 0.982,508 0.864,509 1.16,510 1.183,511 1.242,512 0.698,513 1.036,514 1.871,515 1.022,516 1.322,517 1.056,518 1.93,519 0.966,520 1.73,521 0.757,522 1.071,523 0.741,524 1.901,525 0.956,526 0.569,527 1.171,528 0.82,529 1.113,530 0.579,531 1.213,532 0.3,533 0.844,534 0.612,535 0.765,536 0.215,537 0.867,538 0.701,539 0.881,540 0.995,541 0.98,542 0.551,543 0.736,544 4.5,545 0.045,546 3.556,547 2.125,548 0.942,549 0.569,550 0.402,551 0.347,552 0.222,553 0.119,554 5715,555 14373,556 2.057,557 50,558 2,559 17,564 4,567 1.654,568 1.93,569 3.293,570 -0.686,571 1,572 1,575 76.532,576 1.664,577 2.86,578 3.591,579 4.333,580 4.393,581 4.393,582 2.714,583 3.915,584 4.495,585 3.429,586 867.541,587 7.725,588 9826.23,590 1,592 1,593 254.084,594 1.495,595 4.448,596 0.18,597 0.003,598 0.102,599 0.057,600 0.029,601 0.021,602 0.019,603 0.019,604 0.014,605 0.007,606 0.453,607 0.5,608 1,609 0.58,610 107.776,611 0.114,612 -0.39,613 0.249,614 -0.163,615 -0.069,616 -0.032,617 0.264,618 0.154,619 0.071,620 0.088,621 0.199,622 -0.007,623 -0.016,624 -0.076,625 -0.012,626 -0.101,627 0.054,628 -0.018,629 -0.321,630 -0.062,631 -0.184,632 -0.059,633 -0.217,634 -0.049,635 -0.224,636 0.194,637 -0.198,638 0.09,639 -0.25,640 -0.063,641 0.025,642 -0.221,643 -0.033,644 -0.188,645 -0.029,646 -0.193,647 0.373,648 -0.002,649 0.225,650 0.075,651 0.344,652 0.097,653 0.07,654 0.028,655 0.204,656 0.095,657 0.111,658 0.259,659 4.371,660 5.577,661 0.783,662 18.983,663 1.004,664 1.135,665 1.316,666 1.732,667 0.644,668 3.258,669 3.584,670 3.85,671 4.007,672 4.174,673 4.143,674 4.29,675 4.234,676 4.234,677 4.234,678 5.849,679 0.601,680 337.49,681 3.258,682 4.796,683 5.645,684 6.518,685 7.385,686 8.263,687 9.136,688 10.017,689 10.894,690 11.777,691 6.5,694 1,698 2,709 5,714 1,716 6,738 46,739 9,740 1,741 25,743 48,744 16,745 6,746 1,747 5,752 3,753 3,757 1,763 3,766 3,768 7,769 9,772 3,776 1,778 3,782 1,785 1,786 1,789 23,790 6,792 7,793 1,797 3,803 1,804 3,823 3,855 3,857 1,862 23,866 1,869 9,875 3,886 6.5,889 3,893 11.917,894 7.933,895 5.056,896 2.983,898 1.048,899 1.156,900 0.974,901 5.122,902 7.775,903 3.466,904 3.98,905 4.391,906 4.706,907 5.046,908 5.019,909 5.317,910 5.018,911 5.116,912 5.257,913 0.857,914 37,915 8.834,917 4.022,918 7.88,919 16.733,921 14.285,924 2.38,925 54.75,929 270.735,930 79.253,931 7.767,933 69.458,935 5.807,936 73.446,937 340.193,938 7.767,940 26.486,941 53.189,942 69.458,943 3.069,944 4.276,945 270.735,947 270.735,948 81.213,949 69.458,950 5.807,952 223.651,953 116.542,956 28.005,957 53.208,958 5.807,960 270.735,961 77.225,962 79.253,964 5.807,965 270.735,966 26.064,967 55.148,969 69.458,970 270.735,971 77.225,972 79.253,973 0.584,974 0.35,975 0.175,976 0.089,977 17,978 7,979 0.042,980 2,982 1,983 3.512,984 180.847,986 18,987 90.042,992 1,993 16.593,994 7.099,995 3.639,997 77.225,998 8.474,1003 0.316,1006 427.213,1007 31,1011 -3.454,1013 37.618,1017 0.057,1020 46.2,1021 52.195,1022 0.301,1023 0.518,1024 0.65,1025 0.785,1026 0.795,1027 0.795,1028 4.723,1029 1,1030 5.659,1031 2.631,1032 4.263,1033 4.663,1034 2.001,1035 6.529,1036 4.154,1037 5.914,1038 1,1039 7.272,1040 2.275,1041 4.007,1042 4.758,1043 1.404,1044 7.865,1045 3.767,1046 7.257,1047 1,1048 9.018,1049 2.136,1050 5.958,1051 6.891,1052 2.602,1053 10.945,1054 5.691,1055 8.651,1056 0.71,1057 10.85,1058 2.136,1059 6.594,1060 7.913,1061 2.602,1062 13.149,1063 6.183,1064 10.099,1065 -0.506,1066 12.738,1067 1.763,1068 8.057,1069 9.624,1070 3.515,1071 15.865,1072 7.604,1073 11.581,1074 -0.731,1075 14.665,1076 -1.205,1077 9.058,1078 10.987,1079 3.779,1080 18.34,1081 8.474,1082 13.09,1083 -0.757,1084 16.618,1085 -1.615,1086 10.359,1087 12.587,1088 4.533,1089 20.972,1090 9.714,1091 3.511,1092 -1,1093 18.59,1094 -1.651,1095 11.505,1096 14.072,1097 4.932,1098 23.535,1099 10.745,1100 2.959,1101 13.61,1102 20.576,1103 -2.347,1104 12.758,1105 15.642,1106 5.597,1107 26.147,1108 11.922,1109 2.341,1110 9.662,1111 22.573,1112 4.756,1113 13.962,1114 17.172,1115 6.067,1116 28.739,1117 13.022,1118 2.114,1119 6.801,1120 24.578,1121 3.271,1122 15.204,1123 18.734,1124 6.682,1125 31.348,1126 14.179,1127 1.702,1128 6.139,1129 26.59,1130 3.089,1131 16.432,1132 20.281,1133 7.191,1134 33.951,1135 15.31,1136 1.429,1137 4.229,1138 28.606,1139 2.308,1140 17.675,1141 21.841,1142 7.779,1143 36.56,1144 16.463,1145 1.101,1146 3.249,1147 30.626,1148 1.965,1149 18.914,1150 23.395,1151 8.309,1152 39.168,1153 17.608,1154 5538,1155 8953,1156 16.583,1157 29.642,1158 37.791,1159 39.191,1160 38.214,1161 37.836,1162 37.731,1163 45.678,1164 6.355,1165 109.261,1166 35.96,1167 5.93,1168 6.725,1169 7.468,1170 5.5,1171 5.511,1172 7.756,1173 3.026,1174 21.571,1175 5.212,1176 9.828,1177 1.512,1178 1.568,1179 1.529,1180 1.513,1181 1.509,1182 1.827,1183 0.254,1184 4.37,1185 1.438,1186 4.097,1187 4.088,1188 4.742,1189 4.073,1190 7.715,1191 3.983,1192 3.874,1193 3.929,1194 3.783,1195 3.702,1196 7.428,1197 3.707,1198 3.749,1199 3.809,1200 3.684,1201 3.619,1202 6.999,1203 3.599,1204 3.529,1205 3.522,1206 3.54,1207 3.399,1208 4.717,1209 3.349,1210 3.202,1211 3.245,1212 3.118,1213 2.949,1214 4.316,1215 2.974,1216 3.111,1217 3.206,1218 2.866,1219 2.941,1220 4.209,1221 2.91,1222 3.111,1223 3.206,1224 2.866,1225 2.941,1226 3.674,1227 2.91,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.575,1233 2.715,1234 0.197,1235 0.189,1236 0.307,1237 0.177,1238 0.14,1239 4.93,1240 0.19,1241 4.725,1242 0.07,1243 7.666,1244 0.544,1245 4.433,1246 0.128,1247 3.511,1248 4.756,1249 1.741,1250 13.61,1251 3.212,1252 1.97,1253 1.976,1254 2.048,1255 2.08,1256 1.397,1257 2.104,1258 1.829,1259 1.767,1260 2.002,1261 2.008,1262 1.317,1263 2.026,1264 1.726,1265 1.669,1266 1.926,1267 1.907,1268 1.108,1269 1.922,1270 1.359,1271 1.379,1272 1.513,1273 1.554,1274 0.825,1275 1.573,1276 1.153,1277 1.064,1278 1.513,1279 1.376,1280 0.825,1281 1.429,1282 1.153,1283 1.064,1284 1.382,1285 1.376,1286 0.637,1287 1.429,1288 1.101,1289 1.049,1290 1.185,1291 1.36,1292 0.561,1293 1.372,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.255,1299 1.107,1300 3.932,1302 5.252,1304 6.792,1306 8.418,1308 10.085,1315 6.591,1321 5.148,1326 27.664,1327 76.532,1328 131.541,1329 165.19,1330 199.329,1331 202.084,1332 202.084,1333 52.472,1334 6.726,1335 60.93,1336 69.31,1337 18,1338 12.312,1339 3.322,1340 2.807,1341 36.972,1342 83,1343 72,1344 0.227,1345 173.861,1346 304.7,1347 415.98,1348 6669,1350 16.286,1351 0.708,1352 0.611,1353 16.536,1354 14.042,1355 11.087,1356 0.443,1357 0.385,1358 8.18,1359 9.839,1360 7.932,1361 6.516,1362 11.876,1363 9.619,1364 10.025,1365 0.286,1366 0.228,1367 11.344,1368 7.972,1369 8.618,1370 0.187,1371 0.14,1372 9.959,1373 6.43,1374 6.614,1375 0.122,1376 0.085,1377 7.71,1378 4.59,1379 5.033,1380 0.079,1381 0.051,1382 5.925,1383 3.279,1384 0.356,1385 77.691,1386 0.246,1387 22.656,1388 0.625,1389 120,1390 361.002,1391 173.819,1392 361.226,1393 482.65,1394 332,1395 141,1396 319.304,1397 203.551,1398 356.086,1399 523.58,1400 334,1401 4.484}
{0 CHEMBL1587764,1 1.728,2 10.885,3 3.502,4 12.261,5 99.126,6 8.913,7 0.586,8 3.844,9 3.93,10 3.614,11 3.476,12 5.048,13 3.452,14 4.345,15 4.461,16 4.042,17 3.859,18 5.53,19 3.816,20 4.538,21 4.688,22 4.08,23 3.92,24 5.729,25 3.862,26 4.537,27 4.697,28 3.987,29 3.809,30 5.883,31 3.788,32 4.534,33 4.694,34 4,35 3.801,36 5.887,37 3.763,38 4.438,39 4.597,40 3.811,41 3.7,42 5.796,43 3.591,44 4.125,45 4.321,46 3.465,47 3.466,48 5.222,49 3.334,50 3.968,51 4.117,52 3.411,53 3.331,54 5.178,55 3.312,56 0.077,57 0.587,58 6.006,59 3.695,60 7.81,61 3.955,62 0.305,63 0.966,64 14.286,65 6.49,66 19.509,67 7.119,68 0.313,69 1.153,70 21.144,71 8.296,72 37.685,73 8.616,74 0.494,75 1.105,76 18.771,77 7.31,78 66.717,79 7.365,80 0.58,81 1.112,82 18.847,83 7.403,84 55.166,85 7.42,86 0.63,87 1.013,88 21.71,89 7.881,90 85.972,91 7.17,92 0.266,93 0.765,94 21.661,95 7.203,96 34.202,97 7.461,98 0.141,99 0.633,100 10.665,101 4.437,102 14.03,103 4.809,104 10,105 41,106 0.3,107 0.597,108 0.714,109 0.826,110 0.866,111 0.866,112 3.304,113 0.93,114 -5.11,115 -5.01,116 -4.69,120 46.3,121 1,122 1,128 1,143 9,144 2,145 1,159 2,162 1,163 1,167 1,174 11,176 4,177 8,185 12,189 12,197 7,200 1,201 14,209 4,213 4,214 11,222 7,226 4,227 3,235 7,239 1,240 6,247 4,252 13,260 2,264 11,271 3,274 978,275 17.706,276 17.706,277 17.706,278 17.706,279 17.706,280 15.409,281 11.582,282 10.447,283 18.01,284 14.317,285 14.317,286 14.317,287 14.317,288 14.317,289 10.886,290 11.676,291 4.969,292 14.822,293 3.63,294 1.916,295 1.241,296 0.594,297 0.36,298 0.36,299 3.999,305 1,306 1,307 1,308 621,309 2.345,312 144.458,313 176.377,320 1.663,321 30.568,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 56.5,333 283,334 4.477,335 4.669,336 6.931,337 4.226,338 3.267,339 3.96,340 3.36,341 11.591,342 3.128,343 4.293,344 3.938,345 6.187,346 3.889,347 2.922,348 3.924,349 1.991,350 9.245,351 2.836,352 3.978,353 3.379,354 6.014,355 3.636,356 2.662,357 3.356,358 1.687,359 8.481,360 2.597,361 3.738,362 3.017,363 5.435,364 3.282,365 2.347,366 3.225,367 0.309,368 6.949,369 2.171,370 3.32,371 2.845,372 5.148,373 2.944,374 1.953,375 2.472,377 5.812,378 1.927,379 3.121,380 2.67,381 4.659,382 2.678,383 1.686,384 2.315,386 4.567,387 1.642,388 2.929,389 1.864,390 4.323,391 2.568,392 1.588,393 2.074,395 4.107,396 1.544,397 2.852,398 1.827,399 4.043,400 2.414,401 1.414,402 1.982,404 3.186,405 1.414,406 2.614,407 1.487,408 3.598,409 2.158,410 1.182,411 1.638,413 2.878,414 1.137,415 2.5,416 1.26,417 3.488,418 2,419 1.022,420 1.5,422 2.571,423 1,424 2.407,425 1,426 3.267,427 1.986,428 1,429 1.357,431 2.136,432 0.976,433 2.166,434 0.98,435 3.247,436 1.662,437 0.675,438 1.004,440 1.656,441 0.665,442 1.61,443 0.795,444 3.045,445 1.159,446 0.155,447 0.2,449 0.38,450 0.15,451 1.008,452 0.688,453 2.633,454 0.693,455 -0.231,456 -0.269,458 -0.617,459 -0.209,460 0.932,461 0.311,462 2.319,463 0.551,464 -0.485,465 -0.653,467 -1.115,468 -0.498,469 12.533,470 0.482,471 0.627,472 0.024,473 36.75,474 1.413,475 20,476 0.769,477 16.75,478 0.644,479 19.075,480 0.734,481 26.467,482 0.646,483 26.039,484 1.001,485 7.192,486 0.277,487 5.439,488 0.209,489 0.093,491 0.351,496 0.634,497 1.065,498 0.652,499 0.894,500 0.526,501 0.833,502 0.496,503 1.139,504 0.831,505 1.096,506 0.576,507 0.947,508 1.017,509 1.209,510 1.064,511 1.217,512 1.145,513 1.023,514 1.362,515 1.04,516 0.865,517 0.889,518 1.147,519 0.899,520 1.34,521 0.917,522 0.942,523 0.848,524 1.221,525 0.894,526 1.519,527 0.938,528 1.559,529 1.132,530 1.96,531 1.111,532 0.815,533 1.043,534 1.74,535 1.461,536 0.824,537 0.99,538 1.002,539 1.312,540 0.956,541 1.165,542 0.651,543 1.019,544 4.5,545 0.115,546 2.889,547 2.451,548 1.393,549 0.89,550 0.421,551 0.293,552 0.201,553 0.205,554 8383,555 24416,556 2.124,557 36.6,558 3,559 10,563 2,567 1.689,568 2,569 3.4,570 -0.722,572 1,575 70.836,576 1.728,577 3.441,578 4.116,579 4.763,580 4.998,581 4.998,582 2.855,583 4.47,584 4.672,585 3.553,586 1154.74,587 8.086,588 14360.2,589 1,590 1,592 1,593 219.66,594 1.37,595 4.637,596 0.155,597 0.007,598 0.07,599 0.061,600 0.037,601 0.024,602 0.016,603 0.013,604 0.008,605 0.009,606 0.401,607 0.17,608 1,609 0.54,610 127.341,611 0.02,612 -0.038,613 0.065,614 -0.003,615 -0.024,616 0.002,617 0.29,618 -0.106,619 0.111,620 -0.099,621 0.032,622 -0.047,623 -0.059,624 -0.203,625 0.035,626 -0.152,627 -0.104,628 -0.062,629 -0.098,630 -0.04,631 0.03,632 0.006,633 0.062,634 0.001,635 0.004,636 0.105,637 0.033,638 0.089,639 0.033,640 0.006,641 -0.097,642 0.095,643 -0.244,644 0.029,645 -0.171,646 -0.151,647 0.041,648 -0.025,649 -0.137,650 -0.079,651 0.064,652 0.14,653 -0.071,654 -0.33,655 -0.095,656 -0.251,657 0.055,658 -0.099,659 1.922,660 5.744,661 0.846,662 23.154,663 1.016,664 1.111,665 3.882,666 15.071,667 0.722,668 3.401,669 3.738,670 4.043,671 4.331,672 4.477,673 4.477,674 4.625,675 4.727,676 4.796,677 4.868,678 6.351,679 0.697,680 365.44,681 3.401,682 4.949,683 5.814,684 6.703,685 7.585,686 8.479,687 9.368,688 10.264,689 11.158,690 12.055,691 7.3,698 1,701 2,709 9,710 2,712 1,714 5,716 17,738 41,739 19,740 2,741 29,743 44,744 19,745 14,746 3,747 9,752 4,753 4,759 1,763 2,766 2,768 16,769 3,772 2,778 2,782 2,785 1,786 1,789 15,790 6,792 7,793 1,797 3,800 1,803 1,804 3,822 2,823 2,855 4,856 1,857 1,859 1,862 26,869 1,873 1,874 1,875 1,886 7.3,889 2,891 1,893 13,894 7.85,895 5.667,896 2.415,898 2.937,899 1.395,900 0.992,901 4.518,902 10.379,903 3.701,904 4.28,905 4.831,906 5.387,907 5.787,908 5.89,909 6.248,910 6.567,911 6.789,912 6.995,913 1,914 40,915 9.648,917 4.234,918 7.878,919 18.067,921 14.945,924 2.378,925 61.833,928 1,929 176.567,930 155.808,931 36.45,933 59.797,935 32.22,936 123.588,937 236.364,938 36.45,939 8.825,940 5.659,941 85.286,942 98.045,943 22.02,945 208.786,947 176.567,948 160.039,949 59.797,950 32.22,952 176.567,953 59.797,956 22.889,957 103.823,958 33.326,959 32.22,960 176.567,961 96.248,962 155.808,965 176.567,966 61.696,967 97.236,969 93.123,970 176.567,971 96.248,972 155.808,973 0.584,974 0.352,975 0.198,976 0.102,977 21,978 9,979 0.091,980 4,982 1,983 3.835,984 222.79,986 22,987 116.211,989 1,993 16.861,994 6.966,995 3.282,997 96.248,998 16.736,999 8.012,1001 5.639,1003 2.981,1006 428.622,1007 39.5,1013 25.134,1017 -0.474,1020 41.665,1021 45.534,1022 0.322,1023 0.642,1024 0.768,1025 0.889,1026 0.933,1027 0.933,1028 4.936,1029 1.414,1030 5.802,1031 4.107,1032 4.419,1033 4.966,1034 3.551,1035 6.637,1036 4.352,1037 6.136,1038 1.182,1039 7.375,1040 3.186,1041 4.007,1042 4.649,1043 2.221,1044 7.582,1045 3.894,1046 7.436,1047 1.022,1048 9.051,1049 2.878,1050 6.028,1051 7.089,1052 5.642,1053 10.727,1054 5.884,1055 8.771,1056 1,1057 10.79,1058 2.571,1059 6.479,1060 7.598,1061 4.053,1062 12.548,1063 6.284,1064 10.139,1065 0.675,1066 12.57,1067 2.136,1068 7.955,1069 9.483,1070 7.97,1071 15.205,1072 7.731,1073 11.53,1074 0.155,1075 14.378,1076 1.656,1077 8.794,1078 10.387,1079 6.176,1080 17.381,1081 8.521,1082 12.939,1083 -0.231,1084 16.208,1085 0.38,1086 10.062,1087 12.024,1088 10.36,1089 19.883,1090 9.758,1091 3.267,1092 -0.485,1093 18.054,1094 -0.617,1095 11.077,1096 13.131,1097 8.592,1098 22.209,1099 10.725,1100 2.922,1101 11.591,1102 19.913,1103 -1.115,1104 12.269,1105 14.644,1106 12.767,1107 24.664,1108 11.881,1109 2.662,1110 9.245,1111 21.782,1112 3.96,1113 13.363,1114 15.863,1115 11.128,1116 27.055,1117 12.928,1118 2.347,1119 8.481,1120 23.661,1121 3.924,1122 14.529,1123 17.31,1124 15.179,1125 29.498,1126 14.055,1127 1.953,1128 6.949,1129 25.546,1130 3.356,1131 15.66,1132 18.592,1133 13.686,1134 31.919,1135 15.14,1136 1.686,1137 5.812,1138 27.438,1139 3.225,1140 16.821,1141 20.003,1142 17.592,1143 34.36,1144 16.259,1145 1.588,1146 4.567,1147 29.335,1148 2.472,1149 17.97,1150 21.322,1151 16.236,1152 36.795,1153 17.362,1154 7891,1155 13655,1156 19.592,1157 29.597,1158 44.594,1159 47.378,1160 45.251,1161 43.832,1162 43.747,1163 58.015,1164 14.695,1165 127.117,1166 42.376,1167 5.408,1168 6.669,1169 6.733,1170 5.399,1171 5.267,1172 6.96,1173 6.686,1174 18.965,1175 5.128,1176 10.916,1177 1.538,1178 1.634,1179 1.56,1180 1.511,1181 1.509,1182 2.001,1183 0.507,1184 4.383,1185 1.461,1186 4.008,1187 4.032,1188 4.097,1189 3.908,1190 7.445,1191 3.909,1192 3.939,1193 3.965,1194 3.897,1195 3.851,1196 7.408,1197 3.852,1198 3.752,1199 3.775,1200 3.795,1201 3.666,1202 5.251,1203 3.642,1204 3.617,1205 3.648,1206 3.586,1207 3.363,1208 4.739,1209 3.411,1210 3.17,1211 3.257,1212 3.18,1213 3.024,1214 4.699,1215 3,1216 2.97,1217 2.973,1218 2.964,1219 2.855,1220 3.969,1221 2.815,1222 2.915,1223 2.951,1224 2.881,1225 2.735,1226 3.925,1227 2.734,1228 2.854,1229 2.925,1230 2.694,1231 2.728,1232 3.886,1233 2.715,1234 0.154,1235 0.161,1236 0.239,1237 0.146,1238 0.113,1239 4.477,1240 0.137,1241 4.669,1242 0.116,1243 6.931,1244 0.4,1245 4.226,1246 0.108,1247 3.267,1248 3.96,1249 3.36,1250 11.591,1251 3.128,1252 1.917,1253 1.889,1254 2.033,1255 2.011,1256 1.145,1257 2.018,1258 1.896,1259 1.871,1260 2.013,1261 1.982,1262 1.08,1263 1.992,1264 1.558,1265 1.542,1266 1.694,1267 1.697,1268 1.07,1269 1.717,1270 1.307,1271 1.289,1272 1.553,1273 1.573,1274 0.605,1275 1.518,1276 1.207,1277 1.145,1278 1.359,1279 1.418,1280 0.46,1281 1.469,1282 1.152,1283 1.126,1284 1.249,1285 1.414,1286 0.297,1287 1.352,1288 1.025,1289 0.983,1290 1.181,1291 1.342,1292 0.218,1293 1.266,1294 0.886,1295 0.821,1296 1.083,1297 1.062,1298 0.164,1299 1.107,1300 4.078,1302 5.407,1303 3.045,1304 6.927,1305 5.416,1306 8.53,1307 7.506,1308 10.178,1310 1.876,1315 0.112,1319 1.131,1320 -0.564,1321 1.251,1326 28.557,1327 70.836,1328 141.091,1329 168.766,1330 195.295,1331 204.905,1332 204.905,1333 48.709,1334 7.441,1335 76.3,1336 101.6,1337 22,1338 12.58,1339 4.322,1340 3.524,1341 38.145,1342 99,1343 98,1344 0.189,1345 177.68,1346 306.6,1347 425.299,1348 17282,1350 18.096,1351 0.696,1352 0.568,1353 18.449,1354 14.772,1355 12.631,1356 0.436,1357 0.31,1358 8.084,1359 11.747,1360 7.819,1361 6.465,1362 13.039,1363 8.993,1364 11.408,1365 0.278,1366 0.172,1367 12.077,1368 7.058,1369 9.889,1370 0.177,1371 0.092,1372 10.662,1373 5.151,1374 8.511,1375 0.113,1376 0.05,1377 9.363,1378 3.731,1379 6.532,1380 0.075,1381 0.029,1382 7.465,1383 2.506,1384 0.297,1385 83.248,1386 0.226,1387 25.149,1388 0.517,1389 140,1390 455.002,1391 182.669,1392 455.994,1393 622.63,1394 426,1395 167,1396 449.633,1397 205.984,1398 463.201,1399 684.11,1400 436,1401 4.241}
{0 CHEMBL1587831,1 1.742,2 8.621,3 3.178,4 10.102,5 116.132,6 8.163,7 0.194,8 4.06,9 4.16,10 3.774,11 3.645,12 5.228,13 3.584,14 4.598,15 4.754,16 4.246,17 4.069,18 5.573,19 3.967,20 4.732,21 4.856,22 4.477,23 4.286,24 5.875,25 4.197,26 4.923,27 5.041,28 4.593,29 4.407,30 6.241,31 4.335,32 5.145,33 5.3,34 4.486,35 4.5,36 6.35,37 4.395,38 5.232,39 5.44,40 4.389,41 4.446,42 6.409,43 4.319,44 5.211,45 5.485,46 4.206,47 4.275,48 6.328,49 4.113,50 4.979,51 5.243,52 3.904,53 4.016,54 6.082,55 3.841,56 0.052,57 0.773,58 11.004,59 5.478,60 18.793,61 6.326,62 0.364,63 1.262,64 31.64,65 10.66,66 39.268,67 11.197,68 0.379,69 1.553,70 31.352,71 12.073,72 45.345,73 12.924,74 0.47,75 1.896,76 35.563,77 12.621,78 73.554,79 14.092,80 0.599,81 2.154,82 46.342,83 16.209,84 97.183,85 18.246,86 0.694,87 2.205,88 45.236,89 16.21,90 115.828,91 20.537,92 0.783,93 2.043,94 51.335,95 16.039,96 134.099,97 21.13,98 0.776,99 1.588,100 45.108,101 13.185,102 113.661,103 16.31,104 118,105 48,106 0.292,107 0.59,108 0.726,109 0.754,110 0.769,111 0.814,112 3.41,113 1.081,114 -2.45,115 -2.48,116 -2.43,120 37.7,121 2,123 1,124 2,125 3,126 2,133 1,143 2,144 1,145 3,159 3,164 1,165 1,166 1,174 6,177 8,179 1,180 1,182 1,185 9,187 1,188 2,189 10,194 2,197 7,199 2,200 3,201 13,203 1,204 1,206 3,209 8,211 3,213 1,214 8,216 1,217 1,219 1,222 6,224 1,226 3,227 9,229 1,230 1,232 3,235 5,237 3,239 3,240 4,242 1,243 1,247 2,251 3,252 4,254 1,255 1,260 2,264 2,274 1260,275 19.951,276 19.951,277 19.951,278 19.951,279 19.951,280 18.818,281 21.629,282 11.055,283 21.201,284 14.724,285 14.724,286 14.724,287 14.724,288 14.724,289 12.7,290 20.431,291 4.302,292 16.239,293 3.986,294 2.202,295 1.388,296 1.223,297 1.133,298 0.864,299 4.074,306 1,307 1,308 509,309 4.583,310 43.636,312 76.763,313 183.794,320 1.108,321 37.672,324 1,325 1,326 1,327 1,328 1,329 0.83,330 1,331 0.98,332 63,333 250,334 5.464,335 5.555,336 9.527,337 5.384,338 4.408,339 4.599,340 5.118,341 21.814,342 4.315,343 4.472,344 4.71,345 7.666,346 4.09,347 3.169,348 4.13,349 2.56,350 13.296,351 2.953,352 4.12,353 4.094,354 6.766,355 3.903,356 3.015,357 3.17,358 2.308,359 10.938,360 2.626,361 3.732,362 3.766,363 6.307,364 3.321,365 2.369,366 2.948,367 1.823,368 8.448,369 2.246,370 3.57,371 3.638,372 5.916,373 3.077,374 2.146,375 2.702,376 1.271,377 7.427,378 1.976,379 3.269,380 3.401,381 5.186,382 2.714,383 1.776,384 2.313,385 0.86,386 5.128,387 1.653,388 3.181,389 2.979,390 4.679,391 2.221,392 1.322,393 1.813,394 0.86,395 3.47,396 1.171,397 3.008,398 2.822,399 4.493,400 2.063,401 1.247,402 1.247,403 0.86,404 2.448,405 0.994,406 2.247,407 2.594,408 3.827,409 1.929,410 1.092,411 1.243,412 0.115,413 2.2,414 0.909,415 2.133,416 2.199,417 3.732,418 1.779,419 0.884,420 1.062,422 1.726,423 0.773,424 2.112,425 1.868,426 3.627,427 1.736,428 0.804,429 0.975,431 1.407,432 0.742,433 1.884,434 1.706,435 3.575,436 1.355,437 0.453,438 0.646,440 0.667,441 0.405,442 1.558,443 1.483,444 3.493,445 1.13,446 0.289,447 0.311,449 0.363,450 0.241,451 1.385,452 1.154,453 3.192,454 0.926,460 1.257,461 0.913,462 3.027,463 0.818,464 -0.1,465 -0.156,467 -0.146,468 -0.091,469 14.267,470 0.492,471 0.728,472 0.025,473 33.25,474 1.147,475 15,476 0.517,477 18.25,478 0.629,479 34.955,480 1.205,481 31.933,482 0.603,483 26.078,484 0.899,485 5.432,486 0.187,487 8.511,488 0.293,489 0.259,490 0.105,491 0.21,496 0.886,497 1.144,498 0.748,499 0.965,500 0.644,501 0.946,502 1.215,503 0.845,504 0.967,505 0.879,506 0.649,507 0.691,508 0.765,509 1.138,510 1.103,511 1.086,512 0.796,513 0.784,514 1.039,515 1.284,516 1.166,517 1.236,518 1.033,519 1.033,520 1.331,521 1.227,522 1.303,523 1.254,524 1.001,525 1.194,526 0.914,527 1.184,528 0.9,529 1.062,530 1.186,531 1.209,532 0.736,533 0.902,534 0.75,535 0.839,536 1.237,537 0.925,538 0.988,539 0.874,540 1.044,541 0.99,542 1.298,543 1.003,544 7,545 0.033,546 7.167,547 5.729,548 3.641,549 2.109,550 1.109,551 0.704,552 0.341,553 0.127,554 7405,555 23256,556 1.93,557 45.3,558 1,559 15,562 2,564 6,567 1.733,568 1.731,569 3.03,570 0.296,572 1,575 92.347,576 1.742,577 3.526,578 4.34,579 4.505,580 4.595,581 4.864,582 2.412,583 4.582,584 4.827,585 3.163,586 1284.01,587 8.487,588 16176,590 1,592 1,593 303.58,594 1.848,595 4.72,596 0.226,597 0.006,598 0.159,599 0.095,600 0.055,601 0.035,602 0.022,603 0.018,604 0.012,605 0.008,606 0.635,607 0.33,608 1,609 1.441,610 140.855,611 -0.056,612 -0.021,613 0.067,614 0.031,615 0.013,616 0.026,617 -0.099,618 0.213,619 0.213,620 0.303,621 -0.049,622 0.325,623 0.161,624 0.031,625 0.125,626 0.157,627 0.009,628 0.233,629 0.01,630 -0.092,631 -0.063,632 -0.109,633 0.109,634 -0.077,635 -0.22,636 -0.155,637 -0.282,638 -0.203,639 0.001,640 -0.232,641 0.024,642 -0.2,643 -0.098,644 -0.2,645 -0.042,646 -0.264,647 0.129,648 0.018,649 0.126,650 0.022,651 -0.009,652 0.046,653 0.059,654 0.061,655 -0.032,656 -0.046,657 -0.05,658 -0.032,659 2.459,660 4.439,661 0.414,662 22.771,663 1.007,664 1.125,665 1.221,666 1.492,667 0.685,668 3.466,669 3.892,670 4.382,671 4.796,672 5.056,673 5.209,674 5.313,675 5.389,676 5.384,677 5.293,678 5.219,679 0.639,680 432.62,681 3.466,682 5.069,683 6.038,684 7.047,685 8.062,686 9.094,687 10.127,688 11.168,689 12.211,690 13.258,691 7.5,692 1,700 3,709 2,714 4,716 6,735 3,738 53,739 9,740 1,741 31,743 55,744 20,745 6,746 4,747 2,752 3,753 4,759 2,760 2,762 2,764 1,767 2,768 7,769 11,770 1,772 1,781 1,782 1,786 1,789 24,790 7,791 2,792 9,793 2,797 4,799 1,803 0.667,804 3,820 1,822 1,823 2,833 2,848 1,855 2,856 2,857 2,859 5,862 29,863 1,869 2,872 3,873 2,874 1,876 3,877 2,882 2,884 2,886 5.7,891 3,893 16.75,894 11.267,895 7.028,896 3.186,898 1.681,899 1.223,900 0.884,901 6.047,902 9.216,903 3.689,904 4.212,905 4.873,906 5.484,907 5.963,908 6.283,909 6.584,910 6.898,911 7.139,912 7.238,913 0.833,914 60,915 10.795,917 4.771,918 7.865,919 20.244,921 16.965,924 2.365,925 68.583,928 1,929 258.964,930 189.938,931 111.801,933 33,935 64.439,936 125.499,937 291.964,938 111.801,939 50.3,940 34.697,941 18.952,942 35.531,943 130.82,945 323.403,947 258.964,948 237.3,949 33,950 64.439,952 188.338,953 103.626,956 131.251,957 106.049,959 64.439,960 258.964,961 144.801,962 189.938,965 258.964,966 87.482,967 69.252,968 33.203,969 144.801,970 258.964,971 144.801,972 189.938,973 0.568,974 0.41,975 0.268,976 0.146,977 24,978 12,979 0.145,980 8,981 1,982 1.167,983 3.498,984 283.296,985 0.167,986 12,987 134.881,989 2,993 22.121,994 7.928,995 2.631,997 144.801,998 3.586,1003 2.074,1005 32.897,1006 593.703,1007 39,1016 4.702,1017 0.213,1020 53.378,1021 59.613,1022 0.304,1023 0.616,1024 0.758,1025 0.787,1026 0.802,1027 0.849,1028 5.04,1029 1.247,1030 6.142,1031 3.47,1032 4.575,1033 4.898,1034 4.488,1035 7.305,1036 4.428,1037 6.325,1038 1.092,1039 7.938,1040 2.448,1041 4.745,1042 5.017,1043 3.151,1044 9.323,1045 4.599,1046 7.753,1047 0.884,1048 9.877,1049 2.2,1050 6.624,1051 7.164,1052 7.236,1053 12.659,1054 6.424,1055 9.238,1056 0.804,1057 11.908,1058 1.726,1059 7.678,1060 8.124,1061 6.919,1062 15.481,1063 7.488,1064 10.771,1065 0.453,1066 14.002,1067 1.407,1068 9.193,1069 9.817,1070 10.336,1071 18.588,1072 8.981,1073 12.342,1074 0.289,1075 16.14,1076 0.667,1077 10.539,1078 11.103,1079 10.475,1080 21.608,1081 10.328,1082 13.94,1084 18.307,1085 0.363,1086 11.999,1087 12.662,1088 13.523,1089 24.688,1090 11.776,1091 4.408,1092 -0.1,1093 20.497,1095 13.433,1096 14.076,1097 13.932,1098 27.755,1099 13.202,1100 3.169,1101 21.814,1102 22.702,1103 -0.146,1104 14.897,1105 15.596,1106 16.734,1107 30.835,1108 14.653,1109 3.015,1110 13.296,1111 24.92,1112 4.599,1113 16.36,1114 17.063,1115 17.337,1116 33.913,1117 16.103,1118 2.369,1119 10.938,1120 27.146,1121 4.13,1122 17.832,1123 18.572,1124 19.954,1125 36.994,1126 17.559,1127 2.146,1128 8.448,1129 29.379,1130 3.17,1131 19.306,1132 20.062,1133 20.709,1134 40.075,1135 19.016,1136 1.776,1137 7.427,1138 31.616,1139 2.948,1140 20.784,1141 21.57,1142 23.179,1143 43.157,1144 20.475,1145 1.322,1146 5.128,1147 33.858,1148 2.702,1149 22.263,1150 23.071,1151 24.059,1152 46.239,1153 21.935,1154 7762,1155 13813,1156 19.068,1157 36.296,1158 49.043,1159 56.675,1160 57.263,1161 45.875,1162 45.949,1163 54.316,1164 31.551,1165 158.661,1166 42.012,1167 6.417,1168 7.555,1169 9.259,1170 6.458,1171 6.408,1172 7.599,1173 9.891,1174 32.291,1175 6.315,1176 19.234,1177 1.582,1178 1.828,1179 1.847,1180 1.48,1181 1.482,1182 1.752,1183 1.018,1184 5.118,1185 1.355,1186 4.149,1187 4.165,1188 4.261,1189 4.105,1190 6.827,1191 4.097,1192 3.849,1193 3.857,1194 3.907,1195 3.759,1196 6.807,1197 3.76,1198 3.502,1199 3.562,1200 3.697,1201 3.467,1202 5.126,1203 3.372,1204 3.426,1205 3.506,1206 3.531,1207 3.325,1208 4.964,1209 3.251,1210 3.302,1211 3.356,1212 3.168,1213 3.014,1214 4.578,1215 3.038,1216 3.254,1217 3.322,1218 3.132,1219 2.989,1220 4.467,1221 3.005,1222 3.199,1223 3.283,1224 3.073,1225 2.941,1226 4.37,1227 2.973,1228 3.161,1229 3.242,1230 3.031,1231 2.894,1232 4.181,1233 2.894,1234 0.176,1235 0.179,1236 0.307,1237 0.174,1238 0.142,1239 5.464,1240 0.148,1241 5.555,1242 0.165,1243 9.527,1244 0.704,1245 5.384,1246 0.139,1247 4.408,1248 4.599,1249 5.118,1250 21.814,1251 4.315,1252 1.886,1253 1.879,1254 1.958,1255 1.997,1256 1.18,1257 1.982,1258 1.61,1259 1.589,1260 1.784,1261 1.734,1262 1.068,1263 1.78,1264 1.476,1265 1.44,1266 1.767,1267 1.661,1268 0.969,1269 1.711,1270 1.458,1271 1.383,1272 1.598,1273 1.65,1274 0.749,1275 1.65,1276 1.347,1277 1.292,1278 1.582,1279 1.56,1280 0.689,1281 1.564,1282 1.223,1283 1.158,1284 1.565,1285 1.525,1286 0.582,1287 1.536,1288 1.195,1289 1.123,1290 1.52,1291 1.501,1292 0.57,1293 1.509,1294 1.154,1295 1.066,1296 1.398,1297 1.445,1298 0.548,1299 1.46,1300 4.143,1301 1.946,1302 5.541,1303 4.511,1304 7.228,1305 6.917,1306 9.067,1307 9.201,1308 10.994,1310 8.628,1313 6.361,1315 1.481,1318 16.557,1319 3.113,1320 -0.49,1322 -3.167,1324 20.687,1325 4.838,1326 33.872,1327 92.347,1328 186.877,1329 230.031,1330 238.786,1331 243.541,1332 257.805,1333 87.182,1334 7.535,1335 113.65,1336 164.25,1337 14,1338 13.691,1339 3.322,1340 3.17,1341 51.709,1342 88,1343 102,1344 0.301,1345 218.446,1346 392.85,1347 524.767,1348 14505,1350 21.449,1351 0.74,1352 0.646,1353 22.156,1354 18.739,1355 13.944,1356 0.45,1357 0.36,1358 9.205,1359 12.359,1360 8.636,1361 7.169,1362 14.797,1363 11.168,1364 11.636,1365 0.242,1366 0.204,1367 13.125,1368 9.813,1369 11.283,1370 0.143,1371 0.106,1372 12.736,1373 8.402,1374 10.903,1375 0.091,1376 0.064,1377 12.744,1378 7.635,1379 8.645,1380 0.055,1381 0.035,1382 10.167,1383 5.505,1384 0.441,1385 96.921,1386 0.229,1387 26.091,1388 0.942,1389 158,1390 477.175,1391 229.431,1392 494.865,1393 671.73,1394 464,1395 209,1396 455.23,1397 267.944,1398 488.315,1399 744.71,1400 455,1401 5.178}
{0 CHEMBL1587932,1 1.528,2 11.552,3 4.093,4 16.749,5 109.089,6 7.749,7 0.688,8 4.017,9 4.119,10 3.623,11 3.58,12 5.178,13 3.572,14 4.517,15 4.667,16 3.979,17 3.944,18 5.65,19 3.925,20 4.704,21 4.87,22 4.038,23 4.051,24 5.841,25 4.012,26 4.806,27 5.005,28 3.959,29 4.021,30 5.923,31 3.966,32 4.741,33 4.957,34 3.902,35 3.968,36 5.847,37 3.904,38 4.659,39 4.854,40 3.892,41 3.917,42 5.787,43 3.872,44 4.6,45 4.758,46 3.834,47 3.863,48 5.798,49 3.821,50 4.51,51 4.689,52 3.732,53 3.81,54 5.599,55 3.755,56 0.028,57 0.692,58 9.245,59 4.499,60 7.374,61 5.477,62 0.241,63 1.095,64 17.656,65 7.354,66 24.568,67 9.233,68 0.216,69 1.304,70 21.814,71 8.942,72 30.035,73 11.357,74 0.425,75 1.401,76 26.582,77 9.58,78 51.888,79 12.181,80 0.441,81 1.321,82 25.233,83 9.203,84 49.004,85 12.234,86 0.408,87 1.2,88 22.728,89 8.382,90 41.431,91 10.769,92 0.51,93 1.094,94 20.972,95 7.891,96 55.584,97 9.396,98 0.196,99 1.066,100 18.457,101 7.207,102 24.658,103 9.124,104 21,105 45,106 0.254,107 0.61,108 0.77,109 0.857,110 0.863,111 0.863,112 3.408,113 0.877,114 -4.16,115 -4.11,116 -3.88,120 46,121 2,123 1,125 1,143 8,144 3,145 2,146 2,147 1,153 1,159 1,162 1,174 11,176 1,177 8,180 1,182 2,185 10,189 12,192 1,194 3,197 7,200 1,201 8,204 1,206 2,209 5,213 1,214 6,217 2,222 9,226 2,227 5,235 11,239 3,240 5,245 2,247 9,252 5,257 2,260 6,263 2,264 6,269 1,271 4,274 1360,275 19.679,276 19.679,277 19.679,278 19.679,279 19.679,280 17.09,281 14.915,282 11.499,283 19.997,284 15.737,285 15.737,286 15.737,287 15.737,288 15.737,289 11.682,290 15.697,291 5.387,292 16.143,293 4.116,294 1.969,295 1.005,296 0.485,297 0.445,298 0.445,299 4.104,305 1,306 1,307 1,308 724,309 3.464,312 63.028,313 276.502,316 121.868,320 1.774,321 26.426,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 62.5,333 335,334 4.546,335 3.58,336 6.423,337 4.093,338 3.113,339 4.473,340 1.058,341 10.057,342 3.051,343 4.303,344 3.159,345 6.23,346 3.916,347 2.938,348 3.953,349 0.86,350 9.36,351 2.875,352 4.11,353 3.054,354 6.012,355 3.744,356 2.743,357 3.658,359 8.558,360 2.74,361 3.914,362 2.838,363 5.91,364 3.598,365 2.615,366 3.344,368 8.202,369 2.564,370 3.648,371 2.425,372 5.728,373 3.308,374 2.326,375 2.991,377 7.543,378 2.277,379 3.273,380 2.188,381 4.534,382 2.796,383 1.83,384 2.538,386 4.642,387 1.76,388 3.031,389 1.885,390 4.432,391 2.508,392 1.534,393 2.296,395 4.343,396 1.493,397 2.872,398 1.533,399 4.312,400 2.448,401 1.491,402 2.01,404 3.922,405 1.421,406 2.788,407 1.419,408 4.057,409 2.37,410 1.382,411 1.905,413 3.521,414 1.364,415 2.535,416 1.323,417 3.776,418 2.133,419 1.148,420 1.5,422 2.836,423 1.128,424 2.5,425 1.191,426 3.44,427 2.005,428 1,429 1.474,431 2.412,432 0.998,433 2.447,434 1,435 3.247,436 1.954,437 1,438 1.436,440 2.136,441 0.951,442 1.861,443 0.955,444 3.141,445 1.469,446 0.574,447 0.671,449 1.034,450 0.507,451 1.788,452 0.5,453 2.99,454 1.366,455 0.392,456 0.571,458 1.008,459 0.381,460 1.143,461 0.398,462 2.656,463 0.797,464 -0.155,465 -0.188,467 -0.308,468 -0.145,469 13.7,470 0.472,471 0.712,472 0.025,473 41.25,474 1.422,475 22.5,476 0.776,477 18.75,478 0.647,479 21.703,480 0.748,481 30.1,482 0.602,483 31.324,484 1.08,485 8.147,486 0.281,487 5.899,488 0.203,489 0.134,491 0.365,496 0.794,497 1.222,498 0.735,499 1.058,500 0.656,501 0.913,502 0.917,503 1.023,504 0.766,505 0.901,506 0.657,507 0.826,508 0.973,509 1.217,510 0.921,511 1.123,512 0.877,513 1.034,514 1.29,515 1.025,516 1.066,517 0.986,518 1.218,519 0.988,520 0.894,521 0.899,522 0.911,523 0.912,524 1.078,525 0.906,526 1.079,527 0.916,528 0.924,529 0.91,530 1.128,531 0.887,532 1.506,533 1.03,534 1.166,535 1.013,536 1.422,537 1.046,538 1.152,539 1.189,540 1.094,541 1.141,542 0.833,543 1.108,544 6,545 0.179,546 3.556,547 1.729,548 1.783,549 1.077,550 0.63,551 0.468,552 0.332,553 0.23,554 10897,555 28404,556 2.09,557 42,558 7,559 11,561 2,562 1,567 1.721,568 1.955,569 3.514,570 -0.371,572 1,575 76.402,576 1.528,577 3.675,578 4.639,579 5.159,580 5.199,581 5.199,582 2.957,583 4.582,584 4.828,585 3.659,586 1485.52,587 8.416,588 20122.4,590 1,592 1,593 282.193,594 1.416,595 4.788,596 0.188,597 0.008,598 0.079,599 0.038,600 0.043,601 0.028,602 0.016,603 0.013,604 0.01,605 0.009,606 0.431,607 0.33,608 1,609 0.828,610 147.452,611 -0.031,612 -0.131,613 0.056,614 -0.061,615 -0.069,617 0.06,618 0.024,619 0.127,620 0.081,621 0.075,622 0.106,623 -0.008,624 -0.194,625 -0.007,626 -0.145,627 0.033,628 -0.09,629 -0.103,630 -0.021,631 -0.071,632 -0.031,633 -0.058,634 -0.045,635 0.109,636 0.103,637 0.081,638 0.053,639 0.068,640 0.065,641 0.059,642 0.084,643 0.06,644 0.057,645 0.004,646 0.065,647 -0.025,648 -0.056,649 -0.181,650 -0.042,651 -0.044,652 -0.13,653 -0.141,654 -0.165,655 -0.158,656 -0.175,657 -0.065,658 -0.168,659 1.937,660 5.526,661 0.724,662 28.713,663 1.005,664 1.117,665 2.932,666 8.595,667 0.685,668 3.497,669 3.829,670 4.111,671 4.357,672 4.605,673 4.718,674 4.868,675 4.997,676 5.106,677 5.182,678 6.801,679 0.659,680 387.47,681 3.497,682 5.043,683 5.9,684 6.779,685 7.654,686 8.538,687 9.421,688 10.308,689 11.195,690 12.085,691 6,698 1,701 2,708 2,709 10,710 2,712 1,714 6,716 22,723 1,735 1,738 50,739 23,740 2,741 32,743 53,744 23,745 18,746 6,747 6,748 1,752 4,753 5,759 2,768 19,769 4,770 1,772 1,778 1,782 1,786 1,789 21,790 6,791 1,792 6,797 3,803 0.75,804 3,808 1,816 1,822 1,823 3,826 1,855 3,859 3,862 29,871 1,872 1,874 1,886 6,889 1,891 2,893 14.833,894 10.067,895 6.389,896 2.969,898 4.061,899 1.524,900 0.99,901 5.325,902 11.814,903 3.807,904 4.446,905 5.078,906 5.685,907 6.261,908 6.615,909 7.082,910 7.532,911 7.892,912 8.276,913 0.875,914 46,915 10.686,917 4.52,918 7.736,919 20.264,921 16.376,924 2.236,925 64.833,927 1,928 1,929 235.422,930 156.7,931 51.582,933 45.652,936 156.7,937 281.074,938 51.582,939 28.533,940 18.011,941 75.81,942 91.983,943 58.303,944 4.836,945 211.88,947 235.422,948 208.282,949 45.652,952 235.422,953 45.652,956 60.92,957 113.791,958 33.571,960 235.422,961 97.234,962 156.7,965 235.422,966 34.262,967 122.438,968 18.011,969 79.223,970 235.422,971 97.234,972 156.7,973 0.583,974 0.345,975 0.18,976 0.099,977 22,978 10,979 0.094,980 5,981 1,982 1.095,983 4.047,984 257.125,985 0.095,986 21,987 138.881,993 19.161,994 8.059,995 4.008,996 1.532,997 97.234,998 18.01,999 8.611,1001 5.932,1003 3.975,1005 18.011,1006 489.356,1007 44,1013 12.526,1017 -0.271,1020 50.24,1021 55.86,1022 0.271,1023 0.651,1024 0.822,1025 0.914,1026 0.921,1027 0.921,1028 5.034,1029 1.491,1030 5.889,1031 4.343,1032 4.511,1033 5.133,1034 1.552,1035 6.701,1036 4.467,1037 6.256,1038 1.382,1039 7.452,1040 3.922,1041 4.111,1042 4.945,1044 7.585,1045 4.069,1046 7.57,1047 1.148,1048 9.112,1049 3.521,1050 6.111,1051 7.383,1052 1.527,1053 10.66,1054 6.034,1055 8.921,1056 1,1057 10.827,1058 2.836,1059 6.524,1060 8.025,1062 12.335,1063 6.442,1064 10.302,1065 1,1066 12.576,1067 2.412,1068 7.991,1069 9.923,1070 1.53,1071 14.904,1072 7.882,1073 11.705,1074 0.574,1075 14.346,1076 2.136,1077 8.766,1078 10.966,1080 16.9,1081 8.646,1082 13.125,1083 0.392,1084 16.132,1085 1.034,1086 10.016,1087 12.629,1088 1.557,1089 19.284,1090 9.874,1091 3.113,1092 -0.155,1093 17.927,1094 1.008,1095 10.962,1096 13.88,1098 21.424,1099 10.804,1100 2.938,1101 10.057,1102 19.73,1103 -0.308,1104 12.121,1105 15.436,1106 1.603,1107 23.736,1108 11.942,1109 2.743,1110 9.36,1111 21.539,1112 4.473,1113 13.148,1114 16.796,1116 25.945,1117 12.95,1118 2.615,1119 8.558,1120 23.352,1121 3.953,1122 14.27,1123 18.305,1124 1.663,1125 28.232,1126 14.053,1127 2.326,1128 8.202,1129 25.168,1130 3.658,1131 15.337,1132 19.723,1134 30.476,1135 15.1,1136 1.83,1137 7.543,1138 26.987,1139 3.344,1140 16.447,1141 21.214,1142 1.734,1143 32.756,1144 16.19,1145 1.534,1146 4.642,1147 28.808,1148 2.991,1149 17.535,1150 22.664,1152 35.019,1153 17.256,1154 10405,1155 17001,1156 21.383,1157 34.233,1158 48.733,1159 49.651,1160 49.716,1161 48.119,1162 48.173,1163 65.64,1164 3.837,1165 139.147,1166 47.022,1167 5.382,1168 5.58,1169 6.225,1170 5.13,1171 5.113,1172 7.473,1173 2.117,1174 16.757,1175 5.051,1176 14.284,1177 1.523,1178 1.552,1179 1.554,1180 1.504,1181 1.505,1182 2.051,1183 0.12,1184 4.348,1185 1.469,1186 4.118,1187 4.133,1188 4.091,1189 4.005,1190 7.429,1191 4.021,1192 3.925,1193 3.954,1194 3.881,1195 3.83,1196 5.217,1197 3.836,1198 3.837,1199 3.867,1200 3.782,1201 3.75,1202 4.884,1203 3.754,1204 3.608,1205 3.659,1206 3.494,1207 3.452,1208 4.823,1209 3.454,1210 3.308,1211 3.351,1212 3.241,1213 3.103,1214 4.455,1215 3.126,1216 3.272,1217 3.327,1218 3.126,1219 3.025,1220 4.299,1221 3.048,1222 3.11,1223 3.17,1224 2.944,1225 2.888,1226 4.011,1227 2.89,1228 2.874,1229 3.009,1230 2.74,1231 2.722,1232 3.935,1233 2.714,1234 0.142,1235 0.112,1236 0.201,1237 0.128,1238 0.097,1239 4.546,1240 0.14,1241 3.58,1242 0.033,1243 6.423,1244 0.314,1245 4.093,1246 0.095,1247 3.113,1248 4.473,1249 1.058,1250 10.057,1251 3.051,1252 1.945,1253 1.922,1254 2.061,1255 2.034,1256 1.257,1257 2.042,1258 1.912,1259 1.892,1260 1.992,1261 2.03,1262 1.103,1263 2.018,1264 1.822,1265 1.792,1266 1.927,1267 1.942,1268 0.956,1269 1.938,1270 1.531,1271 1.473,1272 1.78,1273 1.712,1274 0.906,1275 1.738,1276 1.283,1277 1.255,1278 1.574,1279 1.566,1280 0.578,1281 1.553,1282 1.182,1283 1.132,1284 1.417,1285 1.484,1286 0.469,1287 1.448,1288 1.086,1289 1.024,1290 1.346,1291 1.341,1292 0.343,1293 1.317,1294 0.934,1295 0.804,1296 1.259,1297 1.239,1298 0.275,1299 1.308,1300 4.174,1302 5.501,1303 2.398,1304 7.022,1305 4.727,1306 8.626,1307 6.843,1308 10.272,1310 5.841,1317 2.872,1318 5.393,1320 0.412,1326 32.95,1327 76.402,1328 183.754,1329 231.928,1330 257.928,1331 259.928,1332 259.928,1333 46.231,1334 7.753,1335 77.25,1336 77.25,1337 23,1338 12.614,1339 4.585,1340 3.7,1341 44.677,1342 118,1343 112,1344 0.185,1345 201.991,1346 343.75,1347 484.618,1348 25055,1350 20.38,1351 0.703,1352 0.568,1353 20.38,1354 16.47,1355 14.046,1356 0.439,1357 0.292,1358 9.219,1359 13.516,1360 8.906,1361 7.474,1362 14.046,1363 9.352,1364 12.681,1365 0.282,1366 0.156,1367 12.681,1368 7.012,1369 10.835,1370 0.181,1371 0.078,1372 10.835,1373 4.697,1374 8.817,1375 0.115,1376 0.04,1377 8.817,1378 3.057,1379 7.165,1380 0.072,1381 0.021,1382 7.165,1383 2.034,1384 0.29,1385 88.102,1386 0.216,1387 27.534,1388 0.506,1389 154,1390 464.83,1391 168.906,1392 447.124,1393 618.98,1394 420,1395 182,1396 464.638,1397 197.74,1398 471.445,1399 689.51,1400 442,1401 5.037}
{0 CHEMBL1588058,1 1.67,2 11.97,3 4.492,4 20.174,5 125.51,6 8.799,7 0.611,8 4.06,9 4.141,10 3.802,11 3.695,12 5.311,13 3.674,14 4.536,15 4.652,16 4.149,17 4.048,18 5.736,19 4.011,20 4.722,21 4.868,22 4.233,23 4.135,24 5.935,25 4.08,26 4.759,27 4.894,28 4.349,29 4.174,30 6.103,31 4.132,32 4.861,33 5,34 4.392,35 4.232,36 6.271,37 4.179,38 4.868,39 5.021,40 4.331,41 4.206,42 6.268,43 4.151,44 4.861,45 5.051,46 4.093,47 4.129,48 6.123,49 4.063,50 4.775,51 4.938,52 4.099,53 4.098,54 6.054,55 4.049,56 0.074,57 0.681,58 7.625,59 4.606,60 11.036,61 4.891,62 0.25,63 1.112,64 17.406,65 7.988,66 25.261,67 8.444,68 0.452,69 1.319,70 22.281,71 9.633,72 53.003,73 9.964,74 0.41,75 1.424,76 21.738,77 9.671,78 61.094,79 10.009,80 0.762,81 1.566,82 30.396,83 11.578,84 90.085,85 11.554,86 0.518,87 1.6,88 28.637,89 11.156,90 90.494,91 11.259,92 0.613,93 1.543,94 30.506,95 11.213,96 107.63,97 12.193,98 0.622,99 1.367,100 24.461,101 9.928,102 75.735,103 10.736,104 18,105 49,106 0.273,107 0.626,108 0.773,109 0.856,110 0.877,111 0.877,112 3.532,113 0.922,114 -2.87,115 -2.88,116 -2.78,120 48.1,121 1,126 2,143 9,144 4,147 1,148 1,152 2,153 2,158 1,159 2,174 10,177 12,180 1,182 1,185 10,189 8,192 1,194 2,197 9,200 2,201 6,204 1,206 3,209 7,213 5,214 10,217 1,219 1,222 6,226 1,227 10,230 1,232 2,235 8,239 2,240 8,247 9,251 2,252 8,260 11,263 2,264 10,267 1,269 1,271 11,274 2118,275 22.612,276 22.612,277 22.612,278 22.612,279 22.612,280 19.601,281 16.961,282 13.537,283 22.858,284 17.704,285 17.704,286 17.704,287 17.704,288 17.704,289 13.06,290 17.162,291 6.313,292 18.077,293 4.03,294 1.865,295 0.962,296 0.452,297 0.322,298 0.322,299 4.224,306 1,307 1,308 850,309 3.873,312 198.005,313 250.411,320 2.033,321 42.571,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 71.5,333 395,334 4.691,335 4.507,336 7.074,337 4.309,338 3.323,339 4.44,340 3.325,341 12.212,342 3.281,343 4.144,344 4.048,345 6.143,346 3.803,347 2.791,348 3.671,349 2.035,350 8.783,351 2.824,352 3.991,353 3.641,354 6.017,355 3.62,356 2.632,357 3.487,358 1.133,359 8.523,360 2.6,361 3.906,362 3.568,363 5.757,364 3.497,365 2.506,366 3.451,367 1.081,368 7.76,369 2.493,370 3.896,371 2.992,372 5.359,373 3.457,374 2.499,375 3.333,376 0.473,377 7.006,378 2.374,379 3.453,380 2.735,381 4.938,382 2.92,383 1.945,384 2.638,386 5.408,387 1.887,388 3.285,389 2.597,390 4.68,391 2.843,392 1.853,393 2.542,395 4.714,396 1.831,397 3.121,398 2.43,399 4.301,400 2.654,401 1.684,402 2.239,404 4.154,405 1.608,406 3.073,407 2.168,408 3.82,409 2.26,410 1.275,411 1.699,413 2.845,414 1.255,415 2.653,416 1.991,417 3.573,418 2.192,419 1.227,420 1.698,422 2.716,423 1.168,424 2.6,425 1.541,426 3.47,427 2.039,428 1.053,429 1.538,431 2.432,432 1.029,433 2.5,434 1.341,435 3.356,436 2,437 1,438 1.5,440 2.136,441 1,442 2.367,443 1.323,444 3.247,445 1.717,446 0.754,447 1.116,449 1.813,450 0.72,451 2.118,452 1,453 3.03,454 1.618,455 0.618,456 0.927,458 1.372,459 0.618,460 2.118,461 0.966,462 3,463 1.618,464 0.618,465 0.927,467 1.372,468 0.618,469 15.867,470 0.481,471 0.678,472 0.021,473 47.25,474 1.432,475 26.5,476 0.803,477 20.75,478 0.629,479 26.146,480 0.792,481 33.333,482 0.641,483 38.75,484 1.174,485 9.468,486 0.287,487 6.611,488 0.2,489 0.099,491 0.315,496 0.732,497 1.046,498 0.676,499 0.897,500 0.524,501 0.823,502 0.859,503 1.085,504 0.963,505 1.072,506 0.598,507 0.921,508 1.137,509 0.984,510 0.934,511 0.902,512 1.037,513 0.896,514 1.067,515 1.117,516 0.923,517 1.01,518 1.201,519 0.939,520 0.954,521 1.085,522 1.269,523 1.174,524 1.179,525 0.979,526 1.158,527 1.216,528 1.202,529 1.198,530 1.277,531 1.071,532 1.142,533 0.904,534 1.158,535 0.967,536 1.216,537 0.962,538 1.09,539 0.948,540 1.001,541 0.919,542 1.116,543 0.967,544 5,545 0.117,546 3.556,547 2.375,548 2.142,549 1.399,550 0.871,551 0.524,552 0.476,553 0.296,554 14810,555 45912,556 2.079,557 36.5,559 13,560 2,562 1,563 3,567 1.758,568 1.96,569 3.48,570 -0.352,572 1,575 86.861,576 1.67,577 3.835,578 4.738,579 5.248,580 5.378,581 5.378,582 3.121,583 4.62,584 5.009,585 3.708,586 1957.81,587 8.812,588 28815.7,593 296.423,594 1.35,595 4.982,596 0.139,597 0.004,598 0.073,599 0.047,600 0.039,601 0.025,602 0.016,603 0.011,604 0.01,605 0.007,606 0.371,607 0.33,608 1,609 0.675,610 173.721,611 -0.044,612 -0.05,613 0.05,614 0.005,615 -0.012,616 0.018,617 -0.014,618 -0.079,619 -0.013,620 -0.068,621 -0.009,622 -0.014,623 -0.112,624 0.015,625 0.046,626 0.089,627 -0.105,628 0.04,629 -0.032,630 -0.073,631 0.08,632 -0.016,633 -0.037,634 -0.035,635 0.182,636 -0.016,637 -0.063,638 -0.067,639 0.073,640 -0.046,641 -0.096,642 -0.155,643 -0.096,644 -0.159,645 -0.003,646 -0.14,647 -0.112,648 0.118,649 -0.135,650 0.015,651 -0.09,652 0.022,653 -0.01,654 0.032,655 -0.105,656 0.007,657 -0.081,658 -0.022,659 2.073,660 6.103,661 0.667,662 37.785,663 1.015,664 1.107,665 1.638,666 2.684,667 0.723,668 3.611,669 3.912,670 4.205,671 4.477,672 4.625,673 4.71,674 4.804,675 4.868,676 4.92,677 4.99,678 7.09,679 0.699,680 457.54,681 3.611,682 5.142,683 5.994,684 6.87,685 7.744,686 8.629,687 9.513,688 10.404,689 11.295,690 12.191,691 5.8,698 1,700 1,701 1,709 11,710 1,712 2,714 8,716 22,718 1,721 1,723 1,738 52,739 25,740 1,741 36,743 55,744 25,745 19,746 1,747 5,748 2,752 4,753 4,759 1,767 1,768 21,769 3,772 2,778 2,782 2,786 1,788 2,789 19,790 7,791 1,792 8,793 1,797 3,803 1,804 4,816 1,822 2,823 2,855 4,856 1,857 1,859 1,862 33,869 2,871 1,873 1,877 1,882 1,884 1,886 7.7,889 2,891 2,893 16.833,894 9.9,895 7.444,896 2.963,898 2.95,899 1.394,900 0.988,901 7.093,902 10.439,903 3.951,904 4.516,905 5.119,906 5.698,907 6.097,908 6.405,909 6.707,910 6.954,911 7.172,912 7.483,913 1,914 50,915 12.221,917 5.244,918 7.939,919 22.678,921 18.197,924 2.439,925 80.5,928 1,929 211.88,930 206.774,931 65.856,933 69.305,935 32.22,936 174.554,937 281.184,938 65.856,939 8.825,940 21.016,941 108.765,942 93.515,943 65.573,944 35.562,945 220.557,947 211.88,948 240.41,949 69.305,950 32.22,952 211.88,953 69.305,956 63.657,957 159.967,958 16.786,959 32.22,960 211.88,961 135.16,962 206.774,965 211.88,966 72.582,967 117.59,968 34.612,969 117.149,970 211.88,971 135.16,972 206.774,973 0.571,974 0.346,975 0.196,976 0.098,977 22,978 10,979 0.145,980 8,982 1,983 4.322,984 307.363,986 22,987 160.465,989 1,993 22.604,994 10.355,995 5.09,997 135.16,998 18.78,999 4.508,1001 10.825,1003 3.121,1005 18.011,1006 553.814,1007 51,1013 25.668,1017 -0.486,1020 52.76,1021 57.574,1022 0.293,1023 0.673,1024 0.831,1025 0.921,1026 0.943,1027 0.943,1028 5.173,1029 1.684,1030 5.964,1031 4.714,1032 4.595,1033 5.204,1034 3.604,1035 6.781,1036 4.558,1037 6.382,1038 1.275,1039 7.523,1040 4.154,1041 4.111,1042 4.89,1044 7.74,1045 4.092,1046 7.684,1047 1.227,1048 9.192,1049 2.845,1050 6.18,1051 7.382,1052 5.656,1053 10.889,1054 6.119,1055 9.025,1056 1.053,1057 10.928,1058 2.716,1059 6.594,1060 7.979,1062 12.753,1063 6.551,1064 10.4,1065 1,1066 12.71,1067 2.432,1068 8.075,1069 9.852,1070 7.956,1071 15.433,1072 8,1073 11.8,1074 0.754,1075 14.524,1076 2.136,1077 8.895,1078 10.878,1080 17.669,1081 8.829,1082 13.221,1083 0.618,1084 16.361,1085 1.813,1086 10.162,1087 12.505,1088 10.325,1089 20.214,1090 10.074,1091 3.323,1092 0.618,1093 18.217,1094 1.372,1095 11.173,1096 13.748,1098 22.607,1099 11.085,1100 2.791,1101 12.212,1102 20.088,1103 1.372,1104 12.368,1105 15.276,1106 12.715,1107 25.115,1108 12.262,1109 2.632,1110 8.783,1111 21.97,1112 4.44,1113 13.468,1114 16.632,1116 27.572,1117 13.356,1118 2.506,1119 8.523,1120 23.863,1121 3.671,1122 14.644,1123 18.123,1124 15.114,1125 30.071,1126 14.517,1127 2.499,1128 7.76,1129 25.765,1130 3.487,1131 15.789,1132 19.539,1134 32.555,1135 15.651,1136 1.945,1137 7.006,1138 27.675,1139 3.451,1140 16.966,1141 21.019,1142 17.515,1143 35.054,1144 16.813,1145 1.853,1146 5.408,1147 29.591,1148 3.333,1149 18.133,1150 22.467,1152 37.548,1153 17.968,1154 14128,1155 25056,1156 24.156,1157 37.574,1158 54.771,1159 59.625,1160 54.7,1161 53.014,1162 53.06,1163 72.412,1164 16.094,1165 149.637,1166 51.994,1167 5.58,1168 6.507,1169 6.876,1170 5.431,1171 5.323,1172 7.44,1173 6.65,1174 19.755,1175 5.281,1176 14.677,1177 1.521,1178 1.656,1179 1.519,1180 1.473,1181 1.474,1182 2.011,1183 0.447,1184 4.157,1185 1.444,1186 4.045,1187 4.057,1188 4.103,1189 3.961,1190 7.43,1191 3.964,1192 3.914,1193 3.936,1194 3.875,1195 3.849,1196 7.426,1197 3.847,1198 3.895,1199 3.907,1200 3.842,1201 3.736,1202 6.82,1203 3.756,1204 3.742,1205 3.76,1206 3.761,1207 3.606,1208 5.094,1209 3.615,1210 3.465,1211 3.492,1212 3.579,1213 3.374,1214 5.069,1215 3.333,1216 3.365,1217 3.403,1218 3.323,1219 3.181,1220 4.735,1221 3.203,1222 3.264,1223 3.335,1224 3.157,1225 3.06,1226 4.71,1227 3.07,1228 2.936,1229 2.999,1230 3.034,1231 2.81,1232 4.012,1233 2.775,1234 0.13,1235 0.125,1236 0.196,1237 0.12,1238 0.092,1239 4.691,1240 0.123,1241 4.507,1242 0.092,1243 7.074,1244 0.339,1245 4.309,1246 0.091,1247 3.323,1248 4.44,1249 3.325,1250 12.212,1251 3.281,1252 1.926,1253 1.912,1254 2.023,1255 2.019,1256 1.139,1257 2.014,1258 1.898,1259 1.876,1260 1.948,1261 1.986,1262 1.091,1263 1.988,1264 1.585,1265 1.546,1266 1.751,1267 1.779,1268 0.925,1269 1.766,1270 1.46,1271 1.422,1272 1.649,1273 1.587,1274 0.787,1275 1.606,1276 1.405,1277 1.379,1278 1.579,1279 1.586,1280 0.708,1281 1.589,1282 1.366,1283 1.34,1284 1.546,1285 1.539,1286 0.595,1287 1.562,1288 1.299,1289 1.262,1290 1.503,1291 1.536,1292 0.563,1293 1.523,1294 1.156,1295 1.145,1296 1.237,1297 1.39,1298 0.218,1299 1.34,1300 4.29,1302 5.595,1303 3.045,1304 7.091,1305 5.13,1306 8.686,1307 6.969,1308 10.342,1310 1.693,1315 0.291,1317 2.802,1319 1.16,1324 9.981,1325 2.155,1326 36.325,1327 86.861,1328 199.433,1329 246.384,1330 272.913,1331 279.668,1332 279.668,1333 76.154,1334 7.488,1335 109.13,1336 134.43,1337 22,1338 12.717,1339 4.7,1340 4,1341 54.017,1342 134,1343 155,1344 0.189,1345 227.521,1346 397.73,1347 546.91,1348 16990,1350 23.209,1351 0.703,1352 0.561,1353 23.562,1354 18.517,1355 16.08,1356 0.447,1357 0.307,1358 10.04,1359 15.055,1360 9.701,1361 8.044,1362 16.534,1363 11.069,1364 13.902,1365 0.284,1366 0.164,1367 14.453,1368 8.02,1369 11.901,1370 0.18,1371 0.089,1372 12.632,1373 5.866,1374 10.078,1375 0.116,1376 0.049,1377 10.894,1378 4.268,1379 7.336,1380 0.073,1381 0.027,1382 8.116,1383 2.758,1384 0.294,1385 105.207,1386 0.203,1387 30.554,1388 0.532,1389 170,1390 569.426,1391 208.711,1392 567.42,1393 763.68,1394 530,1395 200,1396 535.973,1397 236.28,1398 553.463,1399 806.4,1400 520,1401 4.001}
{0 CHEMBL1588072,1 1.968,2 11.333,3 3.281,4 10.763,5 113.053,6 10.008,7 0.182,8 3.994,9 4.068,10 3.836,11 3.567,12 5.163,13 3.558,14 4.564,15 4.695,16 4.275,17 3.964,18 5.752,19 3.946,20 4.791,21 4.929,22 4.473,23 4.123,24 6.05,25 4.104,26 4.801,27 4.919,28 4.561,29 4.117,30 6.312,31 4.075,32 4.74,33 4.887,34 4.361,35 4.026,36 6.145,37 3.95,38 4.608,39 4.755,40 4.18,41 3.882,42 5.852,43 3.833,44 4.56,45 4.699,46 4.286,47 3.816,48 6.068,49 3.793,50 4.527,51 4.68,52 3.954,53 3.847,54 5.684,55 3.775,56 0.21,57 0.677,58 4.858,59 4.279,60 16.81,61 4.266,62 0.657,63 1.143,64 18.417,65 7.682,66 38.31,67 7.705,68 0.926,69 1.322,70 27.341,71 9.984,72 74.479,73 9.61,74 1.187,75 1.31,76 28.872,77 10.642,78 138.009,79 9.562,80 1.088,81 1.252,82 34.966,83 11.459,84 120.515,85 10.846,86 0.785,87 1.103,88 25.719,89 9.359,90 77.755,91 8.319,92 1.045,93 1.023,94 22.39,95 7.164,96 110.124,97 6.488,98 0.655,99 1.032,100 16.203,101 7.536,102 64.792,103 7.537,104 38,105 48,106 0.336,107 0.664,108 0.809,109 0.844,110 0.844,111 0.844,112 3.441,113 0.999,114 -3.66,115 -3.63,116 -3.46,120 40.4,121 1,126 6,137 1,140 1,143 2,144 1,145 3,158 1,159 2,160 1,174 1,176 4,177 10,185 5,188 1,189 6,197 4,200 7,201 7,209 5,213 5,214 9,222 3,227 4,235 2,239 4,240 11,247 4,251 2,263 2,264 2,271 4,274 1360,275 20.077,276 20.077,277 20.077,278 20.077,279 20.077,280 18.529,281 24.516,282 11.522,283 21.006,284 16.173,285 16.173,286 16.173,287 16.173,288 16.173,289 13.498,290 25.523,291 5.346,292 17.705,293 3.586,294 1.662,295 0.814,296 0.612,297 0.612,298 0.612,299 4.133,303 2,306 1,307 1,308 735,309 3.391,313 293.159,317 219.79,320 1.8,321 53.457,324 1,325 0.83,326 1,327 1,328 0.5,329 1,330 1,331 0.9,332 67.167,333 340,334 4.693,335 4.584,336 7.031,337 4.326,338 3.356,339 4.298,340 3.871,341 11.977,342 3.269,343 4.326,344 3.89,345 6.557,346 3.924,347 2.994,348 3.868,349 2.008,350 10.286,351 2.782,352 3.957,353 3.705,354 6.075,355 3.733,356 2.783,357 3.162,358 1.19,359 8.609,360 2.636,361 3.835,362 3.468,363 6.011,364 3.439,365 2.52,366 3.065,367 1.089,368 8.465,369 2.277,370 3.521,371 3.182,372 5.52,373 3.12,374 2.217,375 2.785,376 0.86,377 6.951,378 1.984,379 3.412,380 2.908,381 5.238,382 2.951,383 2.036,384 2.633,385 0.742,386 6.114,387 1.809,388 3.363,389 2.787,390 4.999,391 2.88,392 1.993,393 2.525,394 0.421,395 5.805,396 1.69,397 2.948,398 2.619,399 4.498,400 2.729,401 1.793,402 1.946,403 0.197,404 4.295,405 1.649,406 2.762,407 2.51,408 4.29,409 2.294,410 1.401,411 1.757,413 3.855,414 1.192,415 2.27,416 2.107,417 3.793,418 2.054,419 1.158,420 1.232,422 2.714,423 1.015,424 2.182,425 1.93,426 3.474,427 1.952,428 1,429 1.064,431 2.136,432 0.946,433 2,434 1.84,435 3.313,436 1.898,437 0.932,438 1,440 2.048,441 0.884,442 1.769,443 1.267,444 3.247,445 1.319,446 0.461,447 0.537,449 1.14,450 0.374,451 1.679,452 1.256,453 3.068,454 1.179,455 0.272,456 0.333,458 0.598,459 0.223,460 1.264,461 1.045,462 2.871,463 0.876,464 -0.143,465 -0.177,467 -0.384,468 -0.135,469 14.629,470 0.488,471 0.857,472 0.029,473 34.75,474 1.158,475 14,476 0.467,477 20.75,478 0.692,479 30.603,480 1.02,481 32.771,482 0.697,483 28.184,484 0.939,485 6.613,486 0.22,487 7.788,488 0.26,489 0.2,491 0.396,496 0.712,497 1.423,498 0.545,499 0.94,500 0.529,501 0.865,502 0.862,503 1.058,504 0.723,505 0.862,506 0.596,507 0.751,508 1.09,509 0.999,510 0.837,511 0.872,512 0.978,513 0.773,514 0.987,515 1.054,516 0.84,517 0.973,518 1.257,519 0.905,520 0.819,521 0.998,522 1.124,523 1.252,524 1.115,525 1,526 1.233,527 1.226,528 0.97,529 1.105,530 1.239,531 0.926,532 0.934,533 0.931,534 0.721,535 0.776,536 1.043,537 0.862,538 0.977,539 1.013,540 0.91,541 0.968,542 1.08,543 1.139,544 6,545 0.19,546 4,547 2.938,548 2.707,549 1.194,550 0.953,551 0.545,552 0.382,553 0.278,554 11147,555 41161,556 2.048,557 36.2,559 14,564 3,567 1.731,568 1.875,569 3.43,570 -0.627,572 1,575 92.504,576 1.968,577 3.893,578 4.74,579 4.943,580 4.943,581 4.943,582 2.937,583 4.574,584 4.876,585 3.595,586 1563.85,587 8.522,588 21006.8,593 261.066,594 1.522,595 4.816,596 0.182,597 0.009,598 0.083,599 0.053,600 0.052,601 0.027,602 0.024,603 0.014,604 0.012,605 0.01,606 0.466,607 0.33,608 0.88,609 0.792,610 152.418,611 -0.065,612 -0.283,613 0.024,614 -0.075,615 -0.019,616 -0.035,617 -0.026,618 0.065,619 0.049,620 0.083,621 0.015,622 0.142,623 -0.123,624 0.042,625 0.055,626 0.079,627 -0.074,628 0.151,629 0.104,630 0.001,631 0.106,632 0.067,633 0.078,634 0.007,635 0.155,636 0.055,637 -0.018,638 -0.076,639 0.069,640 0.012,641 -0.227,642 -0.18,643 -0.027,644 -0.017,645 -0.172,646 0.044,647 0.141,648 0.149,649 0.136,650 0.109,651 0.159,652 0.003,653 -0.154,654 0.047,655 -0.171,656 -0.08,657 -0.168,658 -0.22,659 2.212,660 6.033,661 0.667,662 29.156,663 1.037,664 1.121,665 2.431,666 5.908,667 0.718,668 3.526,669 3.892,670 4.22,671 4.522,672 4.787,673 4.927,674 5.106,675 5.236,676 5.421,677 5.398,678 6.531,679 0.696,680 470.36,681 3.526,682 5.094,683 5.974,684 6.88,685 7.779,686 8.693,687 9.6,688 10.519,689 11.433,690 12.355,691 6.4,698 2,700 1,709 2,714 4,716 6,721 1,735 1,737 2,738 47,739 11,740 1,741 33,743 50,744 19,745 6,746 4,747 2,748 5,752 4,753 7,754 2,759 1,768 12,769 7,772 5,778 3,781 1,782 6,786 1,789 17,790 8,792 11,793 3,797 3,803 0.5,804 5,823 4,827 2,839 2,846 1,854 1,855 2,856 1,857 1,859 1,860 2,862 30,869 6,872 2,873 1,875 2,885 2,886 10.6,889 3,890 1,891 1,893 16,894 9.052,895 6.583,896 2.955,898 2.081,899 1.262,900 0.972,901 6.415,902 10.026,903 3.738,904 4.297,905 4.854,906 5.387,907 5.89,908 6.223,909 6.585,910 6.901,911 7.298,912 7.421,913 0.875,914 55,915 11.241,917 5.032,918 8.057,919 20.686,921 17.122,924 2.557,925 76.722,929 200.109,930 115.065,931 23.034,932 78.297,933 97.435,935 32.22,936 82.846,937 375.841,938 23.034,939 8.825,940 22.65,941 18.952,942 100.977,943 51.216,944 0.693,945 232.328,946 78.297,947 200.109,948 105.88,949 97.435,950 110.517,952 164.795,953 121.748,954 11,956 48.261,957 57.619,958 78.297,959 32.22,960 200.109,961 120.469,962 193.362,965 200.109,966 87.287,967 34.026,969 192.517,970 200.109,971 120.469,972 193.362,973 0.59,974 0.364,975 0.203,976 0.109,977 24,978 12,979 0.08,980 4,981 2,982 1.2,983 3.962,984 280.169,985 0.2,986 20,987 143.207,989 1,993 21.653,994 8.888,995 4.149,997 120.469,998 2.859,1003 0.635,1006 513.94,1007 41,1013 38.444,1016 4.371,1017 -1.145,1020 48.735,1021 52.672,1022 0.354,1023 0.701,1024 0.853,1025 0.89,1026 0.89,1027 0.89,1028 5.027,1029 1.793,1030 5.989,1031 5.805,1032 4.575,1033 4.984,1034 3.801,1035 6.866,1036 4.416,1037 6.239,1038 1.401,1039 7.594,1040 4.295,1041 4.29,1042 4.934,1043 2.49,1044 7.892,1045 4.081,1046 7.57,1047 1.158,1048 9.3,1049 3.855,1050 6.232,1051 7.125,1052 6.102,1053 11.042,1054 5.97,1055 8.934,1056 1,1057 11.064,1058 2.714,1059 6.746,1060 7.865,1061 5.204,1062 12.875,1063 6.468,1064 10.331,1065 0.932,1066 12.865,1067 2.136,1068 8.191,1069 9.587,1070 8.717,1071 15.569,1072 7.864,1073 11.75,1074 0.461,1075 14.69,1076 2.048,1077 9.067,1078 10.684,1079 8.087,1080 17.748,1081 8.735,1082 13.188,1083 0.272,1084 16.534,1085 1.14,1086 10.33,1087 12.236,1088 11.379,1089 20.287,1090 9.96,1091 3.356,1092 -0.143,1093 18.392,1094 0.598,1095 11.374,1096 13.505,1097 10.98,1098 22.621,1099 10.994,1100 2.994,1101 11.977,1102 20.262,1103 -0.384,1104 12.574,1105 14.99,1106 14.05,1107 25.108,1108 12.166,1109 2.783,1110 10.286,1111 22.141,1112 4.298,1113 13.694,1114 16.345,1115 13.844,1116 27.514,1117 13.273,1118 2.52,1119 8.609,1120 24.029,1121 3.868,1122 14.877,1123 17.803,1124 16.726,1125 29.985,1126 14.434,1127 2.217,1128 8.465,1129 25.923,1130 3.162,1131 16.033,1132 19.201,1133 16.68,1134 32.425,1135 15.574,1136 2.036,1137 6.951,1138 27.823,1139 3.065,1140 17.216,1141 20.649,1142 19.403,1143 34.894,1144 16.735,1145 1.993,1146 6.114,1147 29.728,1148 2.785,1149 18.39,1150 22.07,1151 19.494,1152 37.351,1153 17.892,1154 10694,1155 20764,1156 21.501,1157 33.744,1158 50.688,1159 56.341,1160 52.771,1161 49.975,1162 49.829,1163 60.411,1164 20.754,1165 149.985,1166 45.46,1167 5.693,1168 6.584,1169 6.833,1170 5.472,1171 5.356,1172 7.298,1173 7.592,1174 19.695,1175 5.269,1176 17.129,1177 1.536,1178 1.707,1179 1.599,1180 1.514,1181 1.51,1182 1.831,1183 0.629,1184 4.545,1185 1.378,1186 4.03,1187 4.034,1188 4.147,1189 3.94,1190 7.443,1191 3.949,1192 3.823,1193 3.868,1194 3.986,1195 3.676,1196 7.426,1197 3.669,1198 3.753,1199 3.788,1200 3.734,1201 3.569,1202 7.412,1203 3.592,1204 3.425,1205 3.482,1206 3.598,1207 3.315,1208 5.052,1209 3.279,1210 3.41,1211 3.43,1212 3.569,1213 3.249,1214 4.764,1215 3.224,1216 3.117,1217 3.206,1218 3.343,1219 2.941,1220 4.62,1221 2.942,1222 3.111,1223 3.135,1224 3.106,1225 2.925,1226 4.61,1227 2.91,1228 2.974,1229 2.966,1230 3.017,1231 2.846,1232 4.268,1233 2.834,1234 0.142,1235 0.139,1236 0.213,1237 0.131,1238 0.102,1239 4.693,1240 0.13,1241 4.584,1242 0.117,1243 7.031,1244 0.363,1245 4.326,1246 0.099,1247 3.356,1248 4.298,1249 3.871,1250 11.977,1251 3.269,1252 1.94,1253 1.938,1254 1.957,1255 2.053,1256 1.203,1257 2.028,1258 1.732,1259 1.689,1260 1.924,1261 1.973,1262 1.12,1263 1.96,1264 1.679,1265 1.64,1266 1.84,1267 1.849,1268 1.027,1269 1.851,1270 1.412,1271 1.353,1272 1.578,1273 1.599,1274 0.825,1275 1.621,1276 1.343,1277 1.319,1278 1.513,1279 1.541,1280 0.82,1281 1.543,1282 1.153,1283 1.064,1284 1.494,1285 1.376,1286 0.659,1287 1.429,1288 1.005,1289 0.982,1290 1.121,1291 1.227,1292 0.241,1293 1.197,1294 0.842,1295 0.84,1296 1.05,1297 1.076,1298 0.213,1299 1.05,1300 4.205,1302 5.557,1304 7.12,1306 8.788,1308 10.513,1310 1.763,1311 12.162,1315 2.469,1318 10.974,1319 1.124,1321 3.067,1326 32.695,1327 92.504,1328 182.953,1329 222.801,1330 232.311,1331 232.311,1332 232.311,1333 79.288,1334 7.945,1335 94.64,1336 119.94,1337 24,1338 12.864,1339 3.585,1340 3.17,1341 46.962,1342 119,1343 126,1344 0.198,1345 208.193,1346 381.68,1347 499.751,1348 30632,1349 4.3,1350 21.413,1351 0.714,1352 0.609,1353 22.767,1354 18.273,1355 14.401,1356 0.436,1357 0.333,1358 9.219,1359 12.661,1360 8.9,1361 7.223,1362 15.433,1363 10.992,1364 13.194,1365 0.275,1366 0.175,1367 14.523,1368 8.387,1369 11.543,1370 0.172,1371 0.093,1372 12.842,1373 6.245,1374 10.093,1375 0.111,1376 0.052,1377 11.687,1378 4.75,1379 7.959,1380 0.067,1381 0.027,1382 9.265,1383 3.158,1384 0.307,1385 102.368,1386 0.216,1387 28.008,1388 0.557,1389 162,1390 600.88,1391 237.434,1392 636.639,1393 831.35,1394 592,1395 196,1396 534.756,1397 261.383,1398 561.818,1399 842.06,1400 528,1401 4.793}
{0 CHEMBL1588832,1 1.74,2 9.286,3 4.622,4 21.367,5 111.329,6 10.038,7 0.548,8 3.948,9 4.033,10 3.775,11 3.562,12 5.06,13 3.541,14 4.491,15 4.626,16 4.193,17 3.956,18 5.61,19 3.916,20 4.726,21 4.89,22 4.375,23 4.121,24 5.799,25 4.043,26 4.766,27 4.945,28 4.429,29 4.05,30 5.904,31 3.979,32 4.684,33 4.858,34 4.179,35 3.97,36 5.86,37 3.922,38 4.626,39 4.757,40 4.258,41 4.037,42 5.799,43 3.983,44 4.753,45 4.907,46 4.485,47 4.146,48 5.937,49 4.065,50 4.738,51 4.901,52 4.38,53 4.13,54 5.864,55 4.001,56 0.065,57 0.597,58 4.715,59 4.044,60 6.556,61 4.643,62 0.377,63 1.014,64 13.51,65 7.043,66 27.571,67 7.729,68 0.449,69 1.228,70 26.567,71 10.128,72 31.788,73 11.488,74 0.586,75 1.213,76 39.517,77 11.222,78 49.613,79 12.351,80 0.648,81 1.128,82 31.248,83 9.637,84 56.998,85 10.566,86 0.428,87 1.09,88 17.304,89 8.625,90 41.604,91 9.176,92 0.657,93 1.235,94 28.832,95 10.089,96 60.361,97 10.904,98 0.575,99 1.209,100 39.644,101 10.926,102 56.573,103 11.866,104 10,105 43,106 0.296,107 0.641,108 0.779,109 0.852,110 0.859,111 0.859,112 3.376,113 0.981,114 -4.78,115 -4.69,116 -4.41,118 1,120 45.7,126 5,143 7,144 3,145 3,146 1,147 1,159 1,174 7,176 1,177 6,185 10,188 2,189 7,197 8,200 1,201 10,209 5,213 2,214 10,222 4,226 1,227 5,235 6,239 1,240 7,247 10,251 1,252 6,260 7,263 1,264 3,271 7,274 1340,275 19.121,276 19.121,277 19.121,278 19.121,279 19.121,280 16.893,281 18.184,282 11.438,283 19.775,284 15.321,285 15.321,286 15.321,287 15.321,288 15.321,289 11.995,290 21.375,291 5.443,292 16.452,293 3.784,294 1.758,295 0.949,296 0.522,297 0.478,298 0.478,299 4.073,303 1,306 1,307 1,308 563,309 3,313 299.321,317 119.811,320 1.306,321 29.817,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 60.083,333 260,334 4.654,335 3.74,336 6.822,337 4.189,338 3.231,339 4.599,340 1.674,341 11.303,342 3.086,343 4.306,344 3.38,345 6.386,346 3.895,347 2.938,348 3.917,349 0.916,350 9.633,351 2.789,352 3.858,353 2.972,354 5.95,355 3.541,356 2.601,357 3.31,358 0.86,359 8.288,360 2.449,361 3.583,362 2.904,363 5.441,364 3.263,365 2.347,366 2.961,367 0.172,368 7.051,369 2.141,370 3.403,371 2.697,372 5.14,373 3.013,374 2.087,375 2.61,377 6.089,378 1.88,379 3.337,380 2.366,381 4.885,382 2.868,383 1.93,384 2.446,386 5.239,387 1.759,388 2.906,389 2.09,390 4.01,391 2.448,392 1.511,393 2.085,395 3.364,396 1.419,397 2.861,398 1.661,399 3.83,400 2.342,401 1.414,402 2.015,404 3.079,405 1.214,406 2.578,407 1.615,408 3.67,409 2.264,410 1.363,411 1.58,413 2.974,414 1.202,415 2.492,416 1.315,417 3.594,418 2.082,419 1.113,420 1.488,422 2.794,423 1.067,424 2.424,425 1.269,426 3.564,427 1.952,428 1,429 1.394,431 2.481,432 0.946,433 2,434 1.256,435 3.384,436 1.926,437 1,438 1,440 2.136,441 0.892,442 1.853,443 1.184,444 3.247,445 1.492,446 0.57,447 0.693,449 1.512,450 0.497,451 1.112,452 0.439,453 2.752,454 0.794,455 -0.112,456 -0.126,458 -0.289,459 -0.091,460 1.092,461 0.326,462 2.569,463 0.571,464 -0.244,465 -0.301,467 -0.543,468 -0.142,469 14.348,470 0.512,471 0.627,472 0.022,473 36.25,474 1.295,475 18,476 0.643,477 18.25,478 0.652,479 25.499,480 0.911,481 28.852,482 0.627,483 26.014,484 0.929,485 7.091,486 0.253,487 6.54,488 0.234,489 0.166,491 0.307,496 0.724,497 1.26,498 0.473,499 0.849,500 0.564,501 0.832,502 1.029,503 0.992,504 0.577,505 0.708,506 0.647,507 0.787,508 0.98,509 1.016,510 0.849,511 0.89,512 0.741,513 0.916,514 1.039,515 1.037,516 0.968,517 1.042,518 1.017,519 0.928,520 1.254,521 0.806,522 0.658,523 0.814,524 1.354,525 0.809,526 1.318,527 1.129,528 0.611,529 0.847,530 1.597,531 0.943,532 1.158,533 1.006,534 0.92,535 0.918,536 1.232,537 0.954,538 1.035,539 1.051,540 1.465,541 1.252,542 1.441,543 1.241,544 4.5,545 0.045,546 3.111,547 2.125,548 1.631,549 1.021,550 0.814,551 0.469,552 0.361,553 0.155,554 9033,555 28562,556 2.115,557 39.1,559 17,561 1,567 1.719,568 2,569 3.186,570 -0.742,575 80.032,576 1.74,577 3.766,578 4.575,579 5.002,580 5.045,581 5.045,582 2.629,583 4.593,584 4.779,585 3.334,586 1260.08,587 8.36,588 16369.4,593 254.084,594 1.333,595 4.748,596 0.145,597 0.003,598 0.072,599 0.046,600 0.038,601 0.024,602 0.018,603 0.01,604 0.009,605 0.006,606 0.374,607 0.33,608 0.88,609 0.517,610 137.779,611 -0.029,612 -0.191,613 0.005,614 -0.068,615 -0.02,616 -0.018,617 -0.064,618 0.094,619 0.01,620 0.114,621 0.038,622 0.06,623 -0.027,624 0.001,625 -0.002,626 0.034,627 0.037,628 0.016,629 0.07,630 -0.074,631 0.039,632 -0.053,633 0.115,634 0.051,635 -0.02,636 0.182,637 -0.011,638 0.076,639 -0.014,640 0.121,641 -0.178,642 -0.128,643 -0.021,644 0.003,645 -0.195,646 -0.073,647 -0.059,648 0.02,649 -0.013,650 0.02,651 -0.056,652 -0.038,653 -0.095,654 -0.048,655 -0.155,656 -0.203,657 -0.231,658 -0.272,659 2.107,660 5.861,661 0.786,662 23.439,663 1.015,664 1.112,665 3.55,666 12.604,667 0.727,668 3.466,669 3.784,670 4.078,671 4.357,672 4.605,673 4.654,674 4.812,675 4.942,676 5.05,677 5.037,678 5.815,679 0.691,680 461.76,681 3.466,682 5.004,683 5.861,684 6.742,685 7.617,686 8.507,687 9.391,688 10.285,689 11.175,690 12.072,691 4.3,694 1,701 1,708 2,709 8,710 1,714 5,716 17,726 1,737 2,738 46,739 18,740 2,741 31,742 1,743 49,744 21,745 15,746 7,747 5,748 1,752 4,753 5,754 1,768 16,769 5,772 1,778 1,782 1,786 1,789 18,790 5,792 7,793 2,797 2,803 0.75,804 3,816 1,823 4,827 1,851 1,854 1,855 3,858 1,860 1,862 28,869 5,872 2,875 1,885 2,886 6.5,889 1,890 1,891 1,893 14,894 8.352,895 6.167,896 2.752,898 3.44,899 1.456,900 1,901 6.046,902 10.986,903 3.726,904 4.331,905 4.942,906 5.545,907 6.114,908 6.38,909 6.773,910 7.14,911 7.52,912 7.623,913 1,914 46,915 10.372,917 4.44,918 7.739,919 19.764,921 16.235,924 2.239,925 62.694,928 1,929 211.88,930 120.962,931 65.864,932 39.149,933 47.145,936 166.916,937 298.173,938 19.91,940 15.502,941 66.334,942 71.893,943 46.059,945 200.109,946 85.103,947 211.88,948 140.872,949 47.145,950 39.149,951 45.954,952 211.88,953 36.145,954 11,956 29.818,957 94.268,958 55.934,959 45.954,960 211.88,961 67.055,962 206.064,965 211.88,966 45.581,967 78.505,968 45.954,969 103.079,970 211.88,971 67.055,972 206.064,973 0.578,974 0.344,975 0.193,976 0.106,977 21,978 9,979 0.102,980 5,981 1,982 1.091,983 3.886,984 252.066,985 0.091,986 22,987 130.606,993 19.496,994 8.683,995 4.295,996 1.337,997 67.055,998 14.409,999 4.448,1003 3.012,1006 484.999,1007 40.5,1013 12.861,1017 -0.44,1020 46.691,1021 51.147,1022 0.315,1023 0.682,1024 0.828,1025 0.906,1026 0.913,1027 0.913,1028 4.958,1029 1.414,1030 5.838,1031 3.364,1032 4.466,1033 5.017,1034 2.261,1035 6.658,1036 4.33,1037 6.158,1038 1.363,1039 7.399,1040 3.079,1041 4.007,1042 4.844,1043 0.325,1044 7.582,1045 3.774,1046 7.466,1047 1.113,1048 9.067,1049 2.974,1050 6.057,1051 7.251,1052 2.932,1053 10.725,1054 5.824,1055 8.814,1056 1,1057 10.8,1058 2.794,1059 6.447,1060 7.955,1061 0.393,1062 12.506,1063 6.135,1064 10.199,1065 1,1066 12.574,1067 2.481,1068 7.952,1069 9.836,1070 3.841,1071 15.162,1072 7.631,1073 11.611,1074 0.57,1075 14.376,1076 2.136,1077 8.744,1078 10.959,1079 0.384,1080 17.292,1081 8.358,1082 13.044,1083 -0.112,1084 16.199,1085 1.512,1086 10.026,1087 12.622,1088 4.834,1089 19.784,1090 9.618,1091 3.231,1092 -0.244,1093 18.037,1094 -0.289,1095 11.009,1096 13.95,1097 0.351,1098 22.067,1099 10.546,1100 2.938,1101 11.303,1102 19.887,1103 -0.543,1104 12.203,1105 15.522,1106 5.853,1107 24.502,1108 11.708,1109 2.601,1110 9.633,1111 21.746,1112 4.599,1113 13.276,1114 16.948,1115 0.312,1116 26.854,1117 12.731,1118 2.347,1119 8.288,1120 23.612,1121 3.917,1122 14.438,1123 18.484,1124 6.88,1125 29.271,1126 13.856,1127 2.087,1128 7.051,1129 25.485,1130 3.31,1131 15.553,1132 19.957,1133 0.273,1134 31.655,1135 14.923,1136 1.93,1137 6.089,1138 27.362,1139 2.961,1140 16.706,1141 21.48,1142 7.91,1143 34.069,1144 16.036,1145 1.511,1146 5.239,1147 29.244,1148 2.61,1149 17.842,1150 22.976,1151 0.236,1152 36.47,1153 17.126,1154 8595,1155 15430,1156 20.978,1157 33.438,1158 46.543,1159 48.053,1160 47.718,1161 46.562,1162 46.211,1163 60.195,1164 7.246,1165 131.886,1166 42.681,1167 5.654,1168 5.74,1169 6.624,1170 5.293,1171 5.231,1172 7.599,1173 3.349,1174 18.826,1175 5.086,1176 11.412,1177 1.501,1178 1.55,1179 1.539,1180 1.502,1181 1.491,1182 1.942,1183 0.234,1184 4.254,1185 1.377,1186 4.091,1187 4.109,1188 6.88,1189 4.022,1190 7.433,1191 4.026,1192 3.904,1193 3.92,1194 4.137,1195 3.871,1196 5.068,1197 3.853,1198 3.782,1199 3.841,1200 3.768,1201 3.575,1202 4.727,1203 3.588,1204 3.491,1205 3.527,1206 3.669,1207 3.372,1208 4.654,1209 3.372,1210 3.27,1211 3.258,1212 3.538,1213 3.059,1214 4.624,1215 3.093,1216 3.111,1217 3.206,1218 3.376,1219 2.941,1220 4.414,1221 2.927,1222 3.087,1223 3.139,1224 3.145,1225 2.934,1226 3.984,1227 2.91,1228 2.9,1229 2.943,1230 2.866,1231 2.867,1232 3.787,1233 2.792,1234 0.15,1235 0.121,1236 0.22,1237 0.135,1238 0.104,1239 4.654,1240 0.148,1241 3.74,1242 0.054,1243 6.822,1244 0.365,1245 4.189,1246 0.1,1247 3.231,1248 4.599,1249 1.674,1250 11.303,1251 3.086,1252 2.035,1253 2.02,1254 2.084,1255 2.123,1256 1.299,1257 2.116,1258 1.888,1259 1.872,1260 1.963,1261 1.959,1262 1.171,1263 1.969,1264 1.718,1265 1.659,1266 1.926,1267 1.95,1268 1.077,1269 1.948,1270 1.47,1271 1.433,1272 1.644,1273 1.619,1274 0.825,1275 1.628,1276 1.153,1277 1.131,1278 1.513,1279 1.385,1280 0.799,1281 1.429,1282 1.129,1283 1.064,1284 1.284,1285 1.376,1286 0.449,1287 1.327,1288 1.038,1289 0.987,1290 1.227,1291 1.261,1292 0.245,1293 1.274,1294 0.873,1295 0.831,1296 1.077,1297 1.038,1298 0.175,1299 1.061,1300 4.143,1302 5.46,1304 6.987,1306 8.614,1308 10.292,1309 3.41,1311 6.499,1315 3.608,1318 11.301,1321 2.25,1326 31.781,1327 80.032,1328 173.213,1329 210.432,1330 230.084,1331 232.084,1332 232.084,1333 47.895,1334 7.545,1335 51.66,1336 51.66,1337 24,1338 12.598,1339 4.248,1340 3.392,1341 41.977,1342 92,1343 102,1344 0.212,1345 202.114,1346 348.82,1347 484.917,1348 19437,1349 4.3,1350 19.51,1351 0.697,1352 0.62,1353 21.01,1354 17.371,1355 13.631,1356 0.44,1357 0.327,1358 8.911,1359 12.3,1360 8.669,1361 7.084,1362 14.497,1363 10.133,1364 12.127,1365 0.282,1366 0.181,1367 13.24,1368 7.766,1369 10.349,1370 0.178,1371 0.098,1372 11.398,1373 5.663,1374 8.887,1375 0.115,1376 0.051,1377 9.944,1378 3.964,1379 7.259,1380 0.073,1381 0.027,1382 7.914,1383 2.628,1384 0.321,1385 96.794,1386 0.218,1387 26.203,1388 0.617,1389 148,1390 467.355,1391 242.603,1392 509.526,1393 671.99,1394 476,1395 175,1396 435.719,1397 234.758,1398 461.534,1399 683.29,1400 434,1401 4.505}
{0 CHEMBL1591096,1 1.526,2 7.632,3 4.1,4 16.808,5 73.003,6 9.739,7 0.762,8 3.477,9 3.53,10 3.261,11 3.147,12 4.776,13 3.146,14 3.915,15 3.981,16 3.655,17 3.524,18 5.207,19 3.514,20 4.144,21 4.25,22 3.702,23 3.596,24 5.418,25 3.569,26 4.156,27 4.281,28 3.563,29 3.478,30 5.467,31 3.454,32 3.978,33 4.106,34 3.435,35 3.336,36 5.362,37 3.315,38 3.926,39 4.058,40 3.344,41 3.224,42 5.435,43 3.175,44 3.736,45 3.93,46 3.077,47 2.997,48 4.988,49 2.887,50 3.343,51 3.534,52 2.825,53 2.521,54 4.763,55 2.407,56 0.091,57 0.29,58 2.85,59 2.256,60 8.862,61 2.24,62 0.141,63 0.459,64 4.829,65 3.647,66 14.525,67 3.697,68 0.278,69 0.593,70 11.096,71 5.123,72 29.776,73 5.218,74 0.441,75 0.617,76 12.812,77 5.342,78 42.447,79 5.262,80 0.314,81 0.526,82 8.256,83 4.361,84 30.834,85 4.627,86 0.401,87 0.495,88 8.946,89 4.228,90 53.477,91 4.231,92 0.239,93 0.428,94 9.665,95 3.969,96 35.598,97 4.539,98 0.236,99 0.273,100 9.052,101 2.804,102 29.804,103 3.121,104 11,105 30,106 0.289,107 0.601,108 0.75,109 0.855,110 0.855,111 0.855,112 3.012,113 0.862,114 -4.33,115 -4.26,116 -4.02,120 53.6,143 7,144 3,145 2,153 2,156 1,174 7,177 5,182 2,185 10,189 5,194 2,197 10,200 1,201 4,206 1,209 8,214 3,217 1,222 7,227 4,230 1,232 1,235 7,245 2,247 3,252 1,257 2,260 2,271 1,274 400,275 12.886,276 12.886,277 12.886,278 12.886,279 12.886,280 10.938,281 4.403,282 7.448,283 13.045,284 10.297,285 10.297,286 10.297,287 10.297,288 10.297,289 7.313,290 1.804,291 3.457,292 10.614,293 3.282,294 1.63,295 0.845,296 0.286,297 0.286,298 0.286,299 3.688,303 1,306 1,307 1,308 311,309 2.121,312 35.434,313 98.306,316 69.029,320 1.125,321 23.382,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.333,333 145,334 4.685,335 3.336,336 6.859,337 4.256,338 3.256,339 4.635,341 11.457,342 3.257,343 4.081,344 2.934,345 6.012,346 3.649,347 2.668,348 3.713,350 8.524,351 2.621,352 3.733,353 2.759,354 5.233,355 3.268,356 2.335,357 3.206,359 6.332,360 2.173,361 3.44,362 2.601,363 4.991,364 2.998,365 2.065,366 2.787,368 5.766,369 1.909,370 3.326,371 2.289,372 4.948,373 2.888,374 1.891,375 2.645,377 5.692,378 1.819,379 2.785,380 1.71,381 4.393,382 2.291,383 1.306,384 1.907,386 3.865,387 1.265,388 2.5,389 1.371,390 3.618,391 2,392 1,393 1.5,395 2.275,396 1,397 2.492,398 1,399 3.414,400 1.967,401 0.939,402 1.364,404 2.2,405 0.949,406 1.961,407 0.733,408 2.864,409 1.377,410 0.323,411 0.503,413 0.577,414 0.334,415 1.217,416 0.399,417 2.488,418 0.771,419 -0.152,420 -0.2,422 -0.305,423 -0.113,424 0.977,425 0.026,426 2.354,427 0.521,428 -0.394,429 -0.518,431 -0.882,432 -0.35,433 0.632,434 -0.656,435 2.248,436 0.139,437 -0.856,438 -1.192,440 -2.495,441 -0.793,442 0.5,443 -0.826,444 2,446 -1,447 -1.338,449 -2.616,450 -0.906,451 0.314,452 -1,453 1.905,454 -0.061,455 -1,456 -1.5,458 -3,459 -1,460 -0.02,461 -1.037,462 1.608,463 -0.414,464 -1.301,465 -1.685,467 -3.149,468 -1.141,469 9.214,470 0.485,471 0.486,472 0.026,473 27.75,474 1.461,475 16,476 0.842,477 11.75,478 0.618,479 11.135,480 0.586,481 18.986,482 0.678,483 18.473,484 0.972,485 5.706,486 0.3,487 3.48,488 0.183,489 0.15,491 0.38,496 0.752,497 0.837,498 0.527,499 0.729,500 0.709,501 0.69,502 0.778,503 1.026,504 0.628,505 0.899,506 0.648,507 0.855,508 1.038,509 1.06,510 1.014,511 1.059,512 0.806,513 1.015,514 1.188,515 0.973,516 1.012,517 0.997,518 0.941,519 1.014,520 0.89,521 1.062,522 0.636,523 0.957,524 1.009,525 0.975,526 0.937,527 1.089,528 0.867,529 1.071,530 1.292,531 1.163,532 0.988,533 1.029,534 0.992,535 0.914,536 1.382,537 1.035,538 1.023,539 1.016,540 1.466,541 1.15,542 1.056,543 1.116,544 4,546 2.444,547 1.576,548 1.326,549 0.65,550 0.318,551 0.268,552 0.071,553 0.06,554 3000,555 11260,556 2.081,557 32.1,559 7,561 1,562 1,567 1.607,568 1.932,569 2.925,570 -0.301,572 1,575 42.718,576 1.526,577 3.177,578 3.963,579 4.522,580 4.522,581 4.522,582 2.42,583 3.932,584 4.218,585 3,586 513.063,587 7.207,588 4864.68,590 1,591 1,592 1,593 134.606,594 1.462,595 4.171,596 0.19,598 0.081,599 0.053,600 0.051,601 0.028,602 0.018,603 0.022,604 0.01,605 0.02,606 0.474,607 0.83,608 1,609 0.868,610 80.608,611 -0.08,612 0.07,613 -0.009,614 0.067,615 -0.108,616 0.058,617 -0.064,618 -0.116,619 -0.018,620 -0.075,621 -0.043,622 -0.07,623 -0.14,624 -0.119,625 -0.141,626 -0.142,627 -0.086,628 -0.118,629 -0.095,630 0.008,631 -0.153,632 -0.045,633 -0.054,634 -0.073,635 0.056,636 -0.083,637 0.04,638 -0.037,639 0.032,640 -0.034,641 0.108,642 -0.106,643 -0.034,644 -0.117,645 0.054,646 -0.2,647 -0.083,648 -0.029,649 0.146,650 0.151,651 -0.166,652 0.113,653 0.104,654 -0.022,655 0.169,656 0.006,657 0.147,658 0.085,659 1.57,660 4.286,661 0.789,662 12.271,663 1.026,664 1.095,665 3.098,666 9.598,667 0.751,668 3.091,669 3.434,670 3.738,671 4.043,672 4.304,673 4.357,674 4.431,675 4.543,676 4.419,677 4.234,678 4.478,679 0.736,680 272.69,681 3.091,682 4.635,683 5.501,684 6.399,685 7.291,686 8.196,687 9.098,688 10.006,689 10.913,690 11.823,708 2,709 7,712 1,714 5,716 16,717 1,734 1,737 1,738 28,739 17,740 2,741 21,743 30,744 15,745 14,746 5,747 7,748 1,752 3,753 4,754 1,768 15,772 1,778 1,780 1,786 1,788 1,789 9,790 3,791 1,792 4,793 1,803 0.667,804 3,822 1,823 2,826 1,855 2,860 1,862 19,868 1,885 1,886 10.7,888 1,889 1,891 1,893 9.833,894 5.093,895 4.194,896 1.558,898 3.246,899 1.487,900 0.988,901 2.952,902 9.909,903 3.434,904 4.107,905 4.786,906 5.465,907 6.072,908 6.45,909 6.877,910 7.355,911 7.562,912 7.748,913 1,914 30,915 6.971,917 3.035,918 8.041,919 12.893,921 10.623,924 2.541,925 48.278,929 94.169,930 100.488,932 39.149,933 77.336,936 100.488,937 210.653,941 66.334,942 91.024,943 21.952,944 10.285,945 82.398,946 39.149,947 94.169,948 100.488,949 77.336,950 39.149,952 94.169,953 77.336,957 89.063,958 50.573,960 94.169,961 77.336,962 139.636,965 94.169,966 22.73,967 77.758,969 116.484,970 94.169,971 77.336,972 139.636,973 0.583,974 0.349,975 0.197,976 0.118,977 16,978 7,979 0.067,980 2,981 1,982 1.133,983 3.084,984 145.245,985 0.133,986 15,987 76.711,993 12.117,994 4.629,995 2.082,996 1.157,997 77.336,998 11.706,1001 5.686,1003 2.381,1005 42.683,1006 311.141,1007 30,1013 11.286,1015 0.731,1020 28.724,1021 30.648,1022 0.317,1023 0.661,1024 0.824,1025 0.941,1026 0.941,1027 0.941,1028 4.654,1029 0.939,1030 5.501,1031 2.275,1032 4.111,1033 4.792,1035 6.347,1036 4.064,1037 5.897,1038 0.323,1039 7.081,1040 2.2,1041 3.761,1042 4.691,1044 7.322,1045 3.643,1046 7.225,1047 -0.152,1048 8.76,1049 0.577,1050 5.733,1051 7.116,1053 10.448,1054 5.667,1055 8.594,1056 -0.394,1057 10.498,1058 -0.305,1059 6.196,1060 7.858,1062 12.284,1063 6.098,1064 9.995,1065 -0.856,1066 12.275,1067 -0.882,1068 7.662,1069 9.748,1071 14.948,1072 7.596,1073 11.422,1074 -1,1075 14.08,1076 -2.495,1077 8.506,1078 10.899,1080 17.144,1081 8.435,1082 12.869,1083 -1,1084 15.908,1085 -2.616,1086 9.777,1087 12.57,1089 19.656,1090 9.724,1091 3.256,1092 -1.301,1093 17.753,1094 -3,1095 10.801,1096 13.923,1098 21.997,1099 10.752,1100 2.668,1101 11.457,1102 19.612,1103 -3.149,1104 12.001,1105 15.505,1107 24.457,1108 11.963,1109 2.335,1110 8.524,1111 21.483,1112 4.635,1113 13.108,1114 16.953,1116 26.855,1117 13.076,1118 2.065,1119 6.332,1120 23.362,1121 3.713,1122 14.285,1123 18.5,1125 29.299,1126 14.26,1127 1.891,1128 5.766,1129 25.25,1130 3.206,1131 15.429,1132 19.993,1134 31.72,1135 15.409,1136 1.306,1137 5.692,1138 27.144,1139 2.787,1140 16.602,1141 21.528,1143 34.159,1144 16.586,1145 1,1146 3.865,1147 29.042,1148 2.645,1149 17.763,1150 23.042,1152 36.59,1153 17.75,1154 2976,1155 5834,1156 13.929,1157 21.028,1158 32.292,1159 33.675,1160 33.236,1161 31.904,1162 31.566,1163 44.52,1165 93.377,1166 30.654,1167 5.341,1168 5.336,1169 6.362,1170 5.256,1171 5.256,1172 7.635,1174 18.806,1175 5.257,1176 9.073,1177 1.538,1178 1.604,1179 1.583,1180 1.519,1181 1.503,1182 2.12,1184 4.447,1185 1.46,1186 4.134,1187 4.133,1188 4.124,1189 4.047,1190 7.452,1191 4.06,1192 3.846,1193 3.866,1194 3.941,1195 3.8,1196 6.471,1197 3.792,1198 3.445,1199 3.453,1200 3.463,1201 3.312,1202 5.102,1203 3.325,1204 3.105,1205 3.098,1206 3.22,1207 2.866,1208 4.903,1209 2.892,1210 2.866,1211 2.925,1212 3.01,1213 2.743,1214 4.316,1215 2.741,1216 2.854,1217 2.897,1218 2.696,1219 2.735,1220 4.099,1221 2.715,1222 2.78,1223 2.809,1224 2.687,1225 2.612,1226 3.756,1227 2.628,1228 2.357,1229 2.39,1230 2.396,1231 2.015,1232 3.674,1233 2.035,1234 0.223,1235 0.159,1236 0.327,1237 0.203,1238 0.155,1239 4.685,1240 0.221,1241 3.336,1243 6.859,1244 0.546,1245 4.256,1246 0.155,1247 3.256,1248 4.635,1250 11.457,1251 3.257,1252 1.929,1253 1.916,1254 2.001,1255 1.998,1256 1.148,1257 1.998,1258 1.887,1259 1.873,1260 1.969,1261 1.974,1262 1.067,1263 1.978,1264 1.431,1265 1.427,1266 1.521,1267 1.606,1268 0.577,1269 1.576,1270 0.99,1271 0.993,1272 1.181,1273 1.282,1274 0.218,1275 1.219,1276 0.886,1277 0.821,1278 1.123,1279 1.062,1280 0.14,1281 1.107,1282 0.821,1283 0.786,1284 1.037,1285 0.998,1286 0.097,1287 1.011,1288 0.741,1289 0.712,1290 0.928,1291 0.977,1293 0.972,1294 0.358,1295 0.339,1296 0.615,1297 0.696,1299 0.681,1300 3.761,1302 5.094,1303 2.398,1304 6.629,1305 4.844,1306 8.256,1307 7.05,1308 9.931,1311 5.839,1314 9.491,1326 20.606,1327 42.718,1328 88.954,1329 110.954,1330 126.606,1331 126.606,1332 126.606,1333 30.31,1334 6.663,1335 50.44,1336 50.44,1337 17,1338 12.339,1339 4.17,1340 3.322,1341 27.659,1342 50,1343 55,1344 0.283,1345 129.378,1346 218.74,1347 307.442,1348 5677,1349 3.6,1350 13.405,1351 0.706,1352 0.553,1353 13.905,1354 10.516,1355 9.186,1356 0.437,1357 0.287,1358 5.625,1359 8.609,1360 5.486,1361 4.512,1362 9.475,1363 6.033,1364 8.334,1365 0.278,1366 0.153,1367 8.742,1368 4.587,1369 7.123,1370 0.174,1371 0.078,1372 7.411,1373 3.186,1374 6.008,1375 0.107,1376 0.039,1377 6.175,1378 2.163,1379 5.186,1380 0.071,1381 0.021,1382 5.401,1383 1.53,1384 0.421,1385 60.392,1386 0.268,1387 18.559,1388 0.845,1389 102,1390 339.824,1391 125.27,1392 355.735,1393 470.8,1394 330,1395 122,1396 318.893,1397 139.732,1398 332.373,1399 487.23,1400 313,1401 4.745}
{0 CHEMBL1593146,1 1.523,2 11.345,3 3.976,4 15.81,5 109.409,6 7.928,7 0.581,8 3.978,9 4.079,10 3.576,11 3.568,12 5.223,13 3.554,14 4.437,15 4.572,16 3.932,17 3.927,18 5.763,19 3.894,20 4.685,21 4.84,22 4.005,23 4.044,24 5.961,25 3.999,26 4.808,27 5.015,28 3.914,29 3.953,30 6.067,31 3.904,32 4.696,33 4.91,34 3.901,35 3.856,36 5.995,37 3.827,38 4.525,39 4.663,40 3.926,41 3.869,42 5.911,43 3.859,44 4.663,45 4.818,46 3.938,47 3.935,48 6.192,49 3.907,50 4.664,51 4.862,52 3.876,53 3.924,54 6.048,55 3.864,56 0.073,57 0.645,58 8.559,59 4.356,60 12.2,61 5.13,62 0.269,63 1,64 14.997,65 7.152,66 44.276,67 9.013,68 0.207,69 1.273,70 20.196,71 8.944,72 33.836,73 11.003,74 0.43,75 1.39,76 26.895,77 9.46,78 70.853,79 11.853,80 0.588,81 1.211,82 25.195,83 8.587,84 88.022,85 10.97,86 0.342,87 1.037,88 17.8,89 7.298,90 59.235,91 8.463,92 0.683,93 1.191,94 21.656,95 7.875,96 136.963,97 9.106,98 0.421,99 1.165,100 22.658,101 9.179,102 83.374,103 11.855,104 38,105 43,106 0.255,107 0.553,108 0.635,109 0.717,110 0.736,111 0.75,112 3.408,113 0.868,114 -4.89,115 -4.8,116 -4.5,120 46.9,121 2,143 11,144 5,145 2,159 3,168 1,172 1,174 17,175 1,177 3,180 3,182 5,185 18,186 2,189 6,193 1,194 10,197 11,198 1,201 7,206 7,207 1,209 4,214 6,217 3,218 1,219 4,220 1,222 8,227 4,228 1,230 1,231 1,232 6,235 14,236 1,239 2,240 3,241 1,243 1,245 5,247 15,248 3,251 1,252 7,255 1,257 5,260 14,261 4,264 8,269 6,271 14,272 3,274 1566,275 19.016,276 19.016,277 19.016,278 19.016,279 19.016,280 16.412,281 20.124,282 11.082,283 19.079,284 15.244,285 15.244,286 15.244,287 15.244,288 15.244,289 11.286,290 23.047,291 5.264,292 15.322,293 4.091,294 2.309,295 1.82,296 1.329,297 1.214,298 1.133,299 4.085,305 1,306 1,307 1,308 689,309 3.808,313 309.455,320 1.598,321 38.307,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 63,333 329,334 4.366,335 3.612,336 6.301,337 4.002,338 3.019,339 3.996,340 1.437,341 9.603,342 2.964,343 4.18,344 3.566,345 6.039,346 3.819,347 2.812,348 3.757,349 1.058,350 8.634,351 2.824,352 4.144,353 3.555,354 5.982,355 3.763,356 2.757,357 3.735,358 1.058,359 8.435,360 2.768,361 3.847,362 2.867,363 5.772,364 3.483,365 2.493,366 3.223,368 7.693,369 2.454,370 3.66,371 2.59,372 5.031,373 3.288,374 2.287,375 3.016,377 6.054,378 2.287,379 3.6,380 2.582,381 5.014,382 3.224,383 2.217,384 2.945,386 5.982,387 2.226,388 2.977,389 1.911,390 4.543,391 2.599,392 1.627,393 2.122,395 4.646,396 1.576,397 2.839,398 1.889,399 4.068,400 2.354,401 1.346,402 1.882,404 3.415,405 1.342,406 2.705,407 1.862,408 3.889,409 2.191,410 1.169,411 1.696,413 2.974,414 1.184,415 2.669,416 1.67,417 3.773,418 2.155,419 1.135,420 1.645,422 2.827,423 1.143,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 1.549,443 0.728,444 2.935,445 1.193,446 0.207,447 0.259,449 0.514,450 0.202,451 1.116,452 0.464,453 2.641,454 0.803,455 -0.185,456 -0.224,458 -0.422,459 -0.183,460 1.114,461 0.39,462 2.309,463 0.753,464 -0.266,465 -0.342,467 -0.571,468 -0.269,469 13.633,470 0.47,471 0.843,472 0.029,473 41,474 1.414,475 23.5,476 0.81,477 17.5,478 0.603,479 20.533,480 0.708,481 30.167,482 0.616,483 34.191,484 1.179,485 8.484,486 0.293,487 5.345,488 0.184,489 0.171,491 0.367,496 0.721,497 1.035,498 0.758,499 0.908,500 0.649,501 0.845,502 0.404,503 1.082,504 0.714,505 0.992,506 0.446,507 0.932,508 0.838,509 1.327,510 1.006,511 1.249,512 0.799,513 1.177,514 1.229,515 1.152,516 1.077,517 1.041,518 1.132,519 1.018,520 1.099,521 0.78,522 0.812,523 0.709,524 1.197,525 0.702,526 1.204,527 1.108,528 0.953,529 1.011,530 1.308,531 0.951,532 1.263,533 0.925,534 1.176,535 0.913,536 1.188,537 0.988,538 0.679,539 0.95,540 0.814,541 0.999,542 0.632,543 0.942,544 7,545 0.21,546 4,547 1.563,548 1.818,549 1.278,550 0.568,551 0.566,552 0.537,553 0.277,554 10161,555 30135,556 1.993,557 40.8,558 6,559 11,562 3,567 1.725,568 1.832,569 3.449,570 0.857,572 1,575 74.64,576 1.523,577 3.306,578 3.795,579 4.286,580 4.4,581 4.482,582 2.888,583 4.444,584 4.827,585 3.598,586 1460.67,587 8.437,588 20063,590 1,592 1,593 275.121,594 1.519,595 4.768,596 0.226,597 0.009,598 0.093,599 0.036,600 0.048,601 0.033,602 0.014,603 0.014,604 0.014,605 0.008,606 0.494,607 0.17,608 1,609 0.805,610 147.261,611 -0.083,612 0.057,613 -0.003,614 0.079,615 -0.099,616 0.061,617 0.25,618 -0.034,619 0.107,620 0.001,621 0.164,622 0.014,623 -0.039,624 -0.29,625 -0.131,626 -0.279,627 -0.025,628 -0.238,629 -0.15,630 -0.125,631 -0.064,632 -0.103,633 -0.099,634 -0.068,635 0.068,636 0.228,637 0.237,638 0.24,639 -0.028,640 0.264,641 -0.053,642 -0.082,643 -0.036,644 -0.049,645 -0.115,646 -0.047,647 0.016,648 0.131,649 -0.215,650 0.02,651 0.091,652 -0.102,653 0.2,654 0.011,655 0.158,656 -0.003,657 0.256,658 0.062,659 2.799,660 5.581,661 0.621,662 28.345,663 1.009,664 1.114,665 3.659,666 13.385,667 0.687,668 3.466,669 3.784,670 3.989,671 4.159,672 4.419,673 4.454,674 4.466,675 4.533,676 4.625,677 4.635,678 6.674,679 0.666,680 388.45,681 3.466,682 5.004,683 5.832,684 6.691,685 7.538,686 8.399,687 9.254,688 10.116,689 10.974,690 11.838,691 4.1,698 2,709 11,714 7,716 18,723 2,725 1,738 49,739 21,740 3,741 31,743 51,744 23,745 18,746 7,747 11,748 3,752 3,753 3,759 2,768 21,769 2,772 3,778 3,782 3,786 1,789 20,790 6,791 3,792 6,797 2,803 1,804 4,823 3,853 1,855 3,859 2,862 29,868 1,871 2,886 8.2,888 1,889 3,893 15.833,894 9.367,895 6.361,896 2.731,898 3.19,899 1.444,900 0.962,901 6.106,902 10.374,903 3.784,904 4.376,905 4.896,906 5.385,907 5.931,908 6.066,909 6.245,910 6.436,911 6.794,912 7.103,913 0.875,914 44,915 10.748,917 4.608,918 8.075,919 19.745,921 15.722,924 2.575,925 74.667,927 1,928 1,929 200.109,930 153.65,931 36.022,933 118.118,936 153.65,937 318.227,938 36.022,939 17.65,940 36.022,941 104.239,942 128.437,943 21.441,945 200.109,947 200.109,948 189.671,949 118.118,952 200.109,953 118.118,956 53.672,957 135.999,960 200.109,961 154.14,962 153.65,965 200.109,966 31.761,967 121.889,968 36.022,969 118.118,970 200.109,971 154.14,972 153.65,973 0.588,974 0.332,975 0.159,976 0.094,977 19,978 10,979 0.098,980 5,982 1,983 3.97,984 245.938,986 18,987 132.881,993 20.309,994 8.718,995 5.094,997 154.14,998 18.151,1003 3.425,1005 78.705,1006 507.898,1007 43,1013 36.464,1017 -1.899,1020 49.465,1021 54.571,1022 0.271,1023 0.589,1024 0.676,1025 0.763,1026 0.784,1027 0.798,1028 5.007,1029 1.346,1030 5.826,1031 4.646,1032 4.466,1033 5.063,1034 2.263,1035 6.597,1036 4.455,1037 6.228,1038 1.169,1039 7.373,1040 3.415,1041 4.111,1042 4.879,1044 7.427,1045 4.103,1046 7.533,1047 1.135,1048 9.014,1049 2.974,1050 6.038,1051 7.223,1052 2.677,1053 10.45,1054 6.013,1055 8.867,1056 1,1057 10.707,1058 2.827,1059 6.431,1060 7.771,1062 12.044,1063 6.409,1064 10.226,1065 1,1066 12.431,1067 2.275,1068 7.864,1069 9.629,1070 3.187,1071 14.583,1072 7.825,1073 11.603,1074 0.207,1075 14.176,1076 2.275,1077 8.595,1078 10.521,1080 16.504,1081 8.555,1082 12.993,1083 -0.185,1084 15.936,1085 0.514,1086 9.821,1087 12.157,1088 3.775,1089 18.858,1090 9.766,1091 3.019,1092 -0.266,1093 17.707,1094 -0.422,1095 10.719,1096 13.235,1098 20.933,1099 10.658,1100 2.812,1101 9.603,1102 19.486,1103 -0.571,1104 11.854,1105 14.753,1106 4.418,1107 23.21,1108 11.779,1109 2.757,1110 8.634,1111 21.272,1112 3.996,1113 12.835,1114 15.941,1116 25.362,1117 12.752,1118 2.493,1119 8.435,1120 23.063,1121 3.757,1122 13.931,1123 17.393,1124 5.097,1125 27.609,1126 13.835,1127 2.287,1128 7.693,1129 24.858,1130 3.735,1131 14.957,1132 18.647,1134 29.801,1135 14.848,1136 2.217,1137 6.054,1138 26.657,1139 3.223,1140 16.038,1141 20.061,1142 5.796,1143 32.038,1144 15.916,1145 1.627,1146 5.982,1147 28.458,1148 3.016,1149 17.089,1150 21.357,1152 34.251,1153 16.952,1154 10013,1155 17410,1156 19.997,1157 33.682,1158 47.006,1159 48.707,1160 48.223,1161 46.138,1162 46.139,1163 62.549,1164 7.107,1165 130.657,1166 45.941,1167 5.236,1168 5.612,1169 5.716,1170 5.029,1171 5.019,1172 6.996,1173 2.873,1174 16.212,1175 4.964,1176 17.338,1177 1.516,1178 1.571,1179 1.556,1180 1.488,1181 1.488,1182 2.018,1183 0.229,1184 4.215,1185 1.482,1186 4.015,1187 4.041,1188 3.969,1189 3.931,1190 7.475,1191 3.935,1192 3.923,1193 3.948,1194 3.865,1195 3.863,1196 7.431,1197 3.859,1198 3.879,1199 3.903,1200 3.823,1201 3.819,1202 7.427,1203 3.818,1204 3.439,1205 3.46,1206 3.392,1207 3.226,1208 6.351,1209 3.256,1210 3.389,1211 3.43,1212 3.32,1213 3.195,1214 4.758,1215 3.214,1216 3.217,1217 3.24,1218 3.142,1219 3.007,1220 4.704,1221 3.032,1222 3.021,1223 3.11,1224 2.834,1225 2.821,1226 4.672,1227 2.817,1228 2.961,1229 3.02,1230 2.775,1231 2.735,1232 3.942,1233 2.715,1234 0.141,1235 0.117,1236 0.203,1237 0.129,1238 0.097,1239 4.366,1240 0.129,1241 3.612,1242 0.046,1243 6.301,1244 0.31,1245 4.002,1246 0.096,1247 3.019,1248 3.996,1249 1.437,1250 9.603,1251 2.964,1252 1.955,1253 1.931,1254 2.054,1255 2.06,1256 1.154,1257 2.055,1258 1.924,1259 1.9,1260 2.041,1261 2.007,1262 1.139,1263 2.019,1264 1.876,1265 1.854,1266 1.974,1267 1.959,1268 1.09,1269 1.968,1270 1.337,1271 1.304,1272 1.564,1273 1.581,1274 0.632,1275 1.554,1276 1.319,1277 1.275,1278 1.563,1279 1.552,1280 0.632,1281 1.544,1282 1.129,1283 1.1,1284 1.307,1285 1.396,1286 0.299,1287 1.382,1288 0.999,1289 0.923,1290 1.254,1291 1.275,1292 0.255,1293 1.288,1294 0.886,1295 0.821,1296 1.181,1297 1.202,1298 0.218,1299 1.171,1300 4.143,1302 5.46,1304 6.959,1306 8.537,1308 10.154,1310 3.835,1314 9.268,1317 5.422,1326 32.643,1327 74.64,1328 161.994,1329 185.948,1330 210.001,1331 215.611,1332 219.611,1333 71.895,1334 7.184,1335 95.5,1336 95.5,1337 18,1338 12.387,1339 4.459,1340 3.7,1341 52.161,1342 110,1343 128,1344 0.219,1345 203.659,1346 362.16,1347 488.688,1348 12393,1350 20.966,1351 0.723,1352 0.553,1353 20.966,1354 16.023,1355 13.829,1356 0.446,1357 0.289,1358 8.876,1359 13.431,1360 8.581,1361 7.2,1362 13.829,1363 8.967,1364 12.803,1365 0.298,1366 0.156,1367 12.803,1368 6.706,1369 10.203,1370 0.193,1371 0.083,1372 10.203,1373 4.39,1374 7.617,1375 0.121,1376 0.043,1377 7.617,1378 2.689,1379 6.355,1380 0.078,1381 0.023,1382 6.355,1383 1.898,1384 0.342,1385 86.102,1386 0.224,1387 27.516,1388 0.61,1389 148,1390 474.022,1391 160.964,1392 462.214,1393 613.15,1394 426,1395 170,1396 435.446,1397 181.666,1398 445.947,1399 643.25,1400 417,1401 4.834}
{0 CHEMBL1594896,1 2.055,2 7.789,3 2.48,4 6.148,5 70.002,6 11.131,7 0.6,8 3.399,9 3.468,10 3.334,11 2.969,12 4.882,13 2.979,14 3.793,15 3.862,16 3.71,17 3.296,18 5.553,19 3.304,20 3.932,21 4.047,22 3.746,23 3.378,24 5.383,25 3.353,26 3.961,27 4.058,28 3.69,29 3.214,30 5.547,31 3.231,32 3.776,33 3.873,34 3.497,35 2.938,36 5.471,37 3.06,38 3.745,39 3.815,40 3.54,41 2.865,42 5.967,43 2.981,44 3.438,45 3.589,46 2.891,47 2.645,48 4.932,49 2.683,50 3.378,51 3.561,52 2.66,53 2.223,54 5.14,55 2.302,56 0.222,57 0.421,58 1.162,59 1.93,60 23.393,61 1.493,62 0.407,63 0.617,64 2.776,65 3.064,66 77.282,67 2.165,68 0.41,69 0.69,70 6.565,71 4.16,72 57.27,73 3.092,74 0.536,75 0.632,76 12.572,77 4.819,78 100.159,79 2.638,80 0.487,81 0.515,82 5.601,83 2.546,84 76.146,85 1.467,86 0.601,87 0.454,88 4.503,89 2.503,90 120.97,91 1.345,92 0.293,93 0.354,94 2.835,95 2.143,96 38.317,97 2.134,98 0.419,99 0.267,100 5.978,101 1.992,102 61.64,103 2.055,104 21,105 27,106 0.397,107 0.593,108 0.713,109 0.79,110 0.821,111 0.821,112 3.01,113 0.866,114 -3.61,115 -3.58,116 -3.42,120 40,143 4,145 3,146 2,151 1,167 4,174 1,176 3,177 7,185 2,189 9,197 3,200 1,201 9,209 1,213 6,214 7,226 8,227 2,235 1,239 2,240 1,247 2,251 4,252 2,264 1,274 433,275 12.483,276 12.483,277 12.483,278 12.483,279 12.483,280 10.399,281 11.783,282 7.472,283 12.914,284 9.863,285 9.863,286 9.863,287 9.863,288 9.863,289 6.851,290 12.964,291 3.539,292 10.586,293 2.589,294 1.58,295 0.96,296 0.56,297 0.4,298 0.4,299 3.664,306 1,307 1,308 302,309 3,313 127.582,320 1.191,321 33.759,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 44,333 148,334 4.468,335 4.578,336 6.461,337 3.994,338 3.045,339 4.216,340 2.95,341 9.998,342 2.893,343 4.09,344 3.809,345 5.853,346 3.54,347 2.606,348 3.691,349 2.612,350 7.94,351 2.449,352 3.893,353 3.744,354 5.39,355 3.344,356 2.45,357 3.444,358 2.612,359 7.011,360 2.155,361 3.484,362 3.097,363 4.797,364 2.844,365 1.899,366 2.88,368 5.048,369 1.782,370 2.981,371 2.119,372 3.848,373 2.395,374 1.442,375 2.139,377 3.131,378 1.357,379 2.82,380 1.733,381 3.6,382 2.194,383 1.215,384 1.924,386 2.879,387 1.182,388 2.606,389 1.444,390 3.577,391 2,392 1,393 1.595,395 2.414,396 1,397 2.5,398 1,399 3.247,400 1.917,401 1,402 1.5,404 2.136,405 0.916,406 1.468,407 1,408 2.859,409 1.014,410 0.139,411 0.177,413 0.356,414 0.118,415 1,416 1,417 2.321,418 0.385,419 -0.526,420 -0.703,422 -1.242,423 -0.468,424 1,425 0.893,426 2.136,427 0.167,428 -0.82,429 -1.175,431 -2,432 -0.806,433 0.873,434 0.445,435 1.705,437 -1,438 -1.5,440 -2,441 -0.946,442 0.651,443 -0.572,444 1.555,446 -1,447 -1.524,449 -2.347,450 -1,451 0.5,452 -0.618,453 1.509,454 -0.049,455 -1,456 -1.999,458 -2.502,459 -1,460 0.278,461 -1,462 1.294,463 -0.215,464 -1.117,465 -2,467 -2.911,468 -1.008,469 8.767,470 0.461,471 0.511,472 0.027,473 31,474 1.632,475 18.5,476 0.974,477 12.5,478 0.658,479 9.147,480 0.481,481 20.033,482 0.801,483 20.94,484 1.102,485 6.173,486 0.325,487 2.902,488 0.153,489 0.152,491 0.319,496 0.309,497 0.984,498 0.61,499 0.714,500 0.518,501 0.759,502 0.51,503 1.153,504 0.801,505 1.035,506 0.415,507 0.965,508 0.811,509 1.201,510 1.122,511 1.178,512 0.604,513 1.041,514 1.407,515 1.199,516 1.787,517 1.575,518 1.347,519 1.178,520 1.224,521 0.919,522 0.928,523 0.861,524 1.418,525 0.816,526 0.696,527 0.884,528 0.75,529 0.879,530 0.757,531 0.934,532 0.772,533 0.949,534 0.638,535 1.013,536 0.735,537 1.339,538 1.122,539 0.698,540 0.747,541 0.611,542 1.266,543 0.986,544 4,545 0.025,546 2,547 1.125,548 1.084,549 0.819,550 0.264,551 0.24,552 0.127,553 0.044,554 2912,555 14262,556 1.965,557 24,559 4,561 2,567 1.607,568 1.81,569 2.969,570 -0.517,574 1,575 51.367,576 2.055,577 3.063,578 3.684,579 4.084,580 4.244,581 4.244,582 2.465,583 3.722,584 4.218,585 3.092,586 528.686,587 7.203,588 5186.47,589 1,590 1,592 1,593 116.096,594 1.509,595 4.159,596 0.2,597 0.012,598 0.074,599 0.042,600 0.045,601 0.036,602 0.013,603 0.018,604 0.014,605 0.009,606 0.463,607 0.5,608 1,609 1.039,610 81.834,611 0.312,612 0.124,613 0.049,614 0.166,615 0.004,616 0.008,617 0.206,618 -0.097,619 0.057,620 -0.035,621 0.257,622 -0.106,623 -0.113,624 -0.167,625 0.025,626 -0.042,627 0.028,628 0.008,629 -0.408,630 -0.194,631 -0.372,632 -0.27,633 -0.304,634 -0.129,635 -0.164,636 0.073,637 -0.15,638 -0.042,639 -0.336,640 -0.022,641 0.522,642 0.067,643 0.059,644 -0.031,645 0.536,646 -0.155,647 0.05,648 -0.092,649 0.073,650 -0.297,651 0.006,652 -0.271,653 0.092,654 0.051,655 0.255,656 0.169,657 -0.045,658 0.241,659 2.68,660 3.916,661 0.632,662 13.59,663 1.067,664 1.127,665 2.383,666 5.679,667 0.73,668 3.045,669 3.332,670 3.526,671 3.714,672 3.932,673 3.912,674 3.871,675 3.829,676 3.664,677 3.555,678 4.778,679 0.746,680 278.27,681 3.045,682 4.554,683 5.371,684 6.225,685 7.067,686 7.927,687 8.778,688 9.641,689 10.496,690 11.36,691 16,701 2,702 2,709 6,710 2,714 4,716 12,731 2,738 25,739 16,740 1,741 20,743 26,744 10,745 10,746 3,747 3,752 2,753 2,768 10,772 4,775 2,778 4,786 1,789 6,790 6,792 9,793 1,797 4,803 1,804 4,817 1,823 2,855 2,856 1,857 1,862 19,873 1,886 16,892 4,893 10.5,894 4.633,895 4.25,896 1.279,898 2.555,899 1.417,900 0.931,901 3.924,902 8.679,903 3.434,904 4.043,905 4.511,906 5.027,907 5.57,908 5.779,909 6.008,910 6.244,911 6.36,912 6.654,913 1,914 27,915 6.952,917 2.986,918 8.579,919 12.16,921 9.31,924 3.079,925 58.5,929 70.627,930 95.977,931 44.911,933 101.494,935 32.22,936 63.757,937 172.12,938 44.911,939 11.34,941 37.905,942 57.113,943 25.159,944 0.693,945 79.304,946 101.494,947 70.627,948 108.668,949 101.494,950 32.22,952 70.627,954 101.494,956 18.788,957 44.969,958 44.911,959 32.22,960 70.627,961 146.405,962 95.977,965 70.627,966 39.977,967 67.34,969 135.065,970 70.627,971 146.405,972 95.977,973 0.577,974 0.323,975 0.165,976 0.096,977 12,978 6,979 0.154,980 4,982 1,983 3.066,984 132.521,986 12,987 72.711,989 1,993 13.242,994 5.63,995 3.174,997 135.065,998 8.078,999 7.855,1003 -0.085,1006 313.008,1007 30,1010 -1.348,1013 43.025,1020 26.676,1021 28.166,1022 0.442,1023 0.66,1024 0.793,1025 0.879,1026 0.914,1027 0.914,1028 4.625,1029 1,1030 5.352,1031 2.414,1032 4.007,1033 4.727,1034 3.709,1035 6.12,1036 3.875,1037 5.851,1038 0.139,1039 6.893,1040 2.136,1041 3.611,1042 4.635,1043 3.006,1044 6.98,1045 3.408,1046 7.164,1047 -0.526,1048 8.536,1049 0.356,1050 5.557,1051 6.947,1052 5.627,1053 10.03,1054 5.289,1055 8.512,1056 -0.82,1057 10.238,1058 -1.242,1059 5.943,1060 7.626,1061 5.194,1062 11.702,1063 5.61,1064 9.887,1065 -1,1066 11.978,1067 -2,1068 7.394,1069 9.439,1070 7.642,1071 14.268,1072 7.012,1073 11.283,1074 -1,1075 13.743,1076 -2,1077 8.141,1078 10.469,1079 7.248,1080 16.282,1081 7.701,1082 12.693,1083 -1,1084 15.525,1085 -2.347,1086 9.384,1087 12.074,1088 9.7,1089 18.673,1090 8.901,1091 3.045,1092 -1.117,1093 17.321,1094 -2.502,1095 10.306,1096 13.282,1097 9.241,1098 20.841,1099 9.771,1100 2.606,1101 9.998,1102 19.127,1103 -2.911,1104 11.459,1105 14.792,1106 11.787,1107 23.168,1108 10.883,1109 2.45,1110 7.94,1111 20.941,1112 4.216,1113 12.47,1114 16.094,1115 11.202,1116 25.406,1117 11.844,1118 1.899,1119 7.011,1120 22.762,1121 3.691,1122 13.587,1123 17.559,1124 13.892,1125 27.712,1126 12.92,1127 1.442,1128 5.048,1129 24.588,1130 3.444,1131 14.643,1132 18.915,1133 13.145,1134 29.983,1135 13.926,1136 1.215,1137 3.131,1138 26.418,1139 2.88,1140 15.747,1141 20.358,1142 16.01,1143 32.283,1144 14.988,1145 1,1146 2.879,1147 28.253,1148 2.139,1149 16.826,1150 21.746,1151 15.079,1152 34.569,1153 16.019,1154 3011,1155 6803,1156 12.83,1157 18.25,1158 29.684,1159 32.666,1160 30.667,1161 29.561,1162 29.594,1163 43.134,1164 16.35,1165 81.824,1166 27.706,1167 5.232,1168 6.578,1169 6.263,1170 5.123,1171 5.045,1172 7.216,1173 5.9,1174 16.591,1175 4.893,1176 10.34,1177 1.484,1178 1.633,1179 1.533,1180 1.478,1181 1.48,1182 2.157,1183 0.817,1184 4.091,1185 1.385,1186 4.038,1187 4.058,1188 4.124,1189 3.915,1190 7.819,1191 3.912,1192 3.79,1193 3.842,1194 3.836,1195 3.632,1196 7.811,1197 3.644,1198 3.642,1199 3.659,1200 3.644,1201 3.174,1202 6.999,1203 3.26,1204 3.327,1205 3.343,1206 3.425,1207 2.995,1208 6.999,1209 3.034,1210 2.842,1211 2.864,1212 3.081,1213 2.734,1214 4.99,1215 2.716,1216 2.68,1217 2.776,1218 2.56,1219 2.423,1220 4.603,1221 2.466,1222 2.679,1223 2.739,1224 2.539,1225 2.405,1226 3.962,1227 2.442,1228 2.405,1229 2.446,1230 2.362,1231 2.195,1232 3.752,1233 2.233,1234 0.223,1235 0.229,1236 0.323,1237 0.2,1238 0.152,1239 4.468,1240 0.211,1241 4.578,1242 0.148,1243 6.461,1244 0.5,1245 3.994,1246 0.145,1247 3.045,1248 4.216,1249 2.95,1250 9.998,1251 2.893,1252 1.931,1253 1.913,1254 1.979,1255 2.121,1256 1.106,1257 2.068,1258 1.715,1259 1.667,1260 1.821,1261 1.898,1262 0.771,1263 1.882,1264 1.288,1265 1.268,1266 1.3,1267 1.831,1268 0.239,1269 1.669,1270 1.089,1271 1.065,1272 1.201,1273 1.479,1274 0.213,1275 1.402,1276 0.759,1277 0.741,1278 0.921,1279 0.912,1281 0.936,1282 0.618,1283 0.55,1284 0.795,1285 0.909,1287 0.918,1288 0.593,1289 0.524,1290 0.769,1291 0.88,1293 0.903,1294 0.322,1295 0.284,1296 0.567,1297 0.56,1299 0.579,1300 3.714,1302 5.004,1304 6.491,1306 8.065,1308 9.685,1319 0.976,1326 18.659,1327 51.367,1328 76.587,1329 92.096,1330 102.096,1331 106.096,1332 106.096,1333 44.005,1334 6.125,1335 117.42,1336 142.72,1337 12,1338 11.909,1339 4.087,1340 3.459,1341 33.49,1342 53,1343 51,1344 0.316,1345 122.781,1346 211.59,1347 291.346,1348 2884,1350 13.828,1351 0.728,1352 0.532,1353 14.182,1354 10.111,1355 9.075,1356 0.454,1357 0.289,1358 4.906,1359 7.998,1360 4.788,1361 3.976,1362 9.484,1363 5.771,1364 8.225,1365 0.305,1366 0.16,1367 8.894,1368 4.309,1369 6.249,1370 0.189,1371 0.092,1372 7.024,1373 3.052,1374 4.868,1375 0.122,1376 0.052,1377 5.733,1378 2.083,1379 3.947,1380 0.079,1381 0.029,1382 4.769,1383 1.447,1384 0.478,1385 63.24,1386 0.279,1387 18.856,1388 0.915,1389 94,1390 442.383,1391 136.586,1392 437.793,1393 563.5,1394 398,1395 107,1396 391.402,1397 144.127,1398 397.506,1399 567.09,1400 369,1401 5.165}
{0 CHEMBL1595015,1 1.688,2 8.208,3 2.63,4 6.918,5 84.925,6 9.675,7 0.63,8 3.668,9 3.741,10 3.451,11 3.283,12 5.024,13 3.312,14 4.139,15 4.223,16 3.856,17 3.691,18 5.622,19 3.714,20 4.398,21 4.518,22 4.023,23 3.837,24 5.779,25 3.874,26 4.479,27 4.585,28 4.072,29 3.793,30 6.126,31 3.861,32 4.424,33 4.531,34 3.926,35 3.686,36 6.003,37 3.749,38 4.285,39 4.418,40 3.649,41 3.457,42 5.843,43 3.496,44 4.022,45 4.163,46 3.336,47 3.187,48 5.904,49 3.176,50 3.598,51 3.816,52 2.698,53 2.884,54 4.644,55 2.78,56 0.179,57 0.474,58 2.91,59 2.458,60 16.718,61 2.276,62 0.357,63 0.757,64 5.277,65 4.093,66 52.985,67 3.82,68 0.393,69 0.967,70 9.737,71 5.619,72 61.032,73 5.471,74 0.67,75 1.015,76 10.944,77 5.664,78 107.605,79 4.544,80 0.605,81 0.919,82 10.871,83 5.724,84 102.114,85 4.392,86 0.653,87 0.798,88 11.303,89 5.115,90 104.745,91 4.141,92 0.729,93 0.595,94 9.523,95 4.088,96 147.578,97 3.978,98 0.186,99 0.428,100 6.578,101 3.165,102 25.974,103 4.088,104 18,105 40,106 0.301,107 0.562,108 0.706,109 0.836,110 0.868,111 0.879,112 3.231,113 0.788,114 -4.63,115 -4.55,116 -4.28,120 51.5,143 8,144 4,145 1,146 1,148 1,159 2,167 2,174 11,176 4,177 9,185 12,189 16,197 9,200 3,201 23,209 7,214 17,222 7,226 3,227 9,235 8,239 6,240 1,247 7,251 1,252 1,260 4,263 2,264 3,271 1,274 588,275 16.242,276 16.242,277 16.242,278 16.242,279 16.242,280 13.805,281 14.709,282 9.352,283 16.417,284 13.291,285 13.291,286 13.291,287 13.291,288 13.291,289 9.534,290 17.067,291 4.364,292 13.541,293 3.357,294 1.895,295 1.091,296 0.364,297 0.182,298 0.121,299 3.926,305 1,306 1,307 1,308 431,309 2.739,313 189.309,317 223.832,319 93.01,320 1.41,321 42.118,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53.5,333 197,334 4.804,335 3.962,336 7.191,337 4.415,338 3.426,339 4.739,340 2.612,341 12.619,342 3.388,343 4.337,344 3.797,345 6.658,346 3.946,347 2.981,348 3.88,349 1.349,350 10.609,351 2.871,352 4,353 3.336,354 6.1,355 3.526,356 2.558,357 3.556,358 0.8,359 8.612,360 2.486,361 3.789,362 2.986,363 5.943,364 3.421,365 2.404,366 3.185,368 8.012,369 2.418,370 3.589,371 2.553,372 5.235,373 3.054,374 2.071,375 3.003,377 5.982,378 2.029,379 3.175,380 2.043,381 4.762,382 2.658,383 1.67,384 2.427,386 4.635,387 1.648,388 2.947,389 1.832,390 4.026,391 2.373,392 1.36,393 2.074,395 3.148,396 1.373,397 2.809,398 1.63,399 3.963,400 2.276,401 1.277,402 1.934,404 3.047,405 1.272,406 2.742,407 1.33,408 3.63,409 2.236,410 1.238,411 1.832,413 2.866,414 1.234,415 2.5,416 1.173,417 3.513,418 1.958,419 1,420 1.5,422 2.136,423 0.956,424 2.285,425 1,426 3.247,427 1.699,428 0.662,429 1.033,431 1.719,432 0.681,433 1.534,434 1,435 3.186,436 1.076,437 0.056,438 0.075,440 0.15,441 0.056,442 1.255,443 0.916,444 2.66,445 0.754,446 -0.262,447 -0.385,449 -0.655,450 -0.264,451 1,452 0.116,453 2.444,454 0.444,455 -0.571,456 -0.85,458 -1.664,459 -0.575,460 0.937,461 -0.357,462 2.328,463 0.264,464 -0.753,465 -1.06,467 -1.887,468 -0.753,469 11.033,470 0.46,471 0.666,472 0.028,473 38.5,474 1.604,475 22.5,476 0.938,477 16,478 0.667,479 13.54,480 0.564,481 23.767,482 0.72,483 29.7,484 1.237,485 7.711,486 0.321,487 3.882,488 0.162,489 0.121,491 0.435,496 0.414,497 1.032,498 0.52,499 0.823,500 0.491,501 0.751,502 0.435,503 0.978,504 0.651,505 0.909,506 0.476,507 0.881,508 0.787,509 1.13,510 0.686,511 0.995,512 0.692,513 0.85,514 1.153,515 1.045,516 0.931,517 0.972,518 1.071,519 0.885,520 1.475,521 1.149,522 1.148,523 1.135,524 1.44,525 1.053,526 1.488,527 0.891,528 1.35,529 1.016,530 1.594,531 1.102,532 0.775,533 0.788,534 1.262,535 0.902,536 0.863,537 1.167,538 0.318,539 0.99,540 1.075,541 1.28,542 0.32,543 1.423,544 3.5,545 0.037,546 3.111,547 2.625,548 2.316,549 1.146,550 0.647,551 0.238,552 0.151,553 0.07,554 5453,555 19831,556 2.11,557 27.3,559 8,561 1,567 1.677,568 1.946,569 3.002,570 -0.699,572 1,574 1,575 55.694,576 1.688,577 3.15,578 3.953,579 4.681,580 4.863,581 4.923,582 2.542,583 3.689,584 4.555,585 3.111,586 858.702,587 7.905,588 9343.57,589 1,590 1,591 1,592 1,593 166.465,594 1.483,595 4.504,596 0.13,597 0.007,598 0.078,599 0.056,600 0.049,601 0.029,602 0.022,603 0.012,604 0.014,605 0.009,606 0.405,607 0.33,608 1,609 0.813,610 109.669,611 0.148,612 -0.001,613 0.052,614 0.042,615 -0.013,616 0.007,617 0.21,618 0.036,619 -0.001,620 -0.022,621 0.112,622 -0.08,623 -0.062,624 -0.141,625 0.148,626 -0.061,627 -0.008,628 0.075,629 -0.096,630 -0.034,631 -0.048,632 -0.051,633 -0.002,634 -0.026,635 -0.329,636 -0.204,637 -0.205,638 -0.176,639 -0.236,640 -0.148,641 -0.259,642 0.061,643 -0.276,644 -0.024,645 -0.311,646 -0.119,647 0.433,648 0.138,649 -0.109,650 0.129,651 0.394,652 -0.102,653 0.205,654 -0.091,655 0.135,656 -0.2,657 0.102,658 -0.114,659 2.525,660 5.79,661 0.792,662 16.417,663 1.038,664 1.108,665 3.395,666 11.526,667 0.731,668 3.332,669 3.714,670 4.094,671 4.454,672 4.771,673 4.927,674 5.13,675 5.273,676 5.416,677 5.361,678 4.845,679 0.743,680 319.29,681 3.332,682 4.905,683 5.808,684 6.735,685 7.66,686 8.595,687 9.529,688 10.469,689 11.406,690 12.348,691 9.1,698 1,701 1,702 1,708 2,709 9,710 1,714 4,716 17,731 1,738 33,739 21,740 2,741 27,743 36,744 17,745 15,746 5,747 5,748 2,752 4,753 8,768 17,772 4,775 1,778 4,782 2,785 1,786 1,789 9,790 6,792 7,797 3,800 1,803 0.5,804 4,816 1,823 4,827 3,829 1,855 2,862 24,875 1,886 12.1,889 2,892 2,893 12.333,894 6.267,895 5.194,896 1.925,898 3.555,899 1.465,900 1.031,901 3.069,902 11.209,903 3.701,904 4.369,905 5.042,906 5.729,907 6.358,908 6.752,909 7.258,910 7.646,911 8.098,912 8.321,913 0.833,914 47,915 8.931,917 4.117,918 8.264,919 16.064,921 13.505,924 2.764,925 66.333,929 105.94,930 110.868,931 25.58,933 101.037,936 110.868,937 206.977,938 25.58,939 5.67,940 3.124,941 75.81,942 88.256,943 23.321,944 2.328,945 94.169,946 50.747,947 105.94,948 136.448,949 101.037,952 105.94,953 50.29,954 50.747,956 12.172,957 101.821,958 22.456,960 105.94,961 126.617,962 110.868,965 105.94,966 26.011,967 93.652,969 117.822,970 105.94,971 126.617,972 110.868,973 0.592,974 0.37,975 0.218,976 0.124,977 22,978 10,979 0.056,980 2,981 3,982 1.263,983 3.399,984 218.483,985 0.316,986 18,987 102.039,993 14.34,994 5.136,995 2.005,996 0.589,997 120.947,998 13.736,999 4.062,1003 0.573,1006 343.425,1007 39.5,1010 -0.525,1013 47.997,1017 -1.088,1020 34.265,1021 36.578,1022 0.335,1023 0.624,1024 0.784,1025 0.928,1026 0.964,1027 0.976,1028 4.951,1029 1.277,1030 5.826,1031 3.148,1032 4.394,1033 5.056,1034 2.833,1035 6.746,1036 4.362,1037 6.199,1038 1.238,1039 7.453,1040 3.047,1041 4.111,1042 5.007,1043 2.396,1044 7.87,1045 4.06,1046 7.544,1047 1,1048 9.187,1049 2.866,1050 6.08,1051 7.364,1052 4.253,1053 11.065,1054 6.008,1055 8.928,1056 0.662,1057 10.983,1058 2.136,1059 6.635,1060 8.153,1061 4.523,1062 13.012,1063 6.546,1064 10.346,1065 0.056,1066 12.818,1067 1.719,1068 8.099,1069 9.998,1070 5.974,1071 15.745,1072 7.992,1073 11.79,1074 -0.262,1075 14.679,1076 0.15,1077 9.024,1078 11.183,1079 6.562,1080 18.021,1081 8.904,1082 13.253,1083 -0.571,1084 16.558,1085 -0.655,1086 10.309,1087 12.834,1088 7.801,1089 20.606,1090 10.174,1091 3.426,1092 -0.753,1093 18.451,1094 -1.664,1095 11.397,1096 14.209,1097 8.55,1098 23.021,1099 11.251,1100 2.981,1101 12.619,1102 20.355,1103 -1.887,1104 12.624,1105 15.788,1106 9.672,1107 25.559,1108 12.466,1109 2.558,1110 10.609,1111 22.267,1112 4.739,1113 13.783,1114 17.254,1115 10.509,1116 28.034,1117 13.615,1118 2.404,1119 8.612,1120 24.186,1121 3.88,1122 14.994,1123 18.808,1124 11.564,1125 30.559,1126 14.817,1127 2.071,1128 8.012,1129 26.111,1130 3.556,1131 16.185,1132 20.319,1133 12.452,1134 33.062,1135 15.999,1136 1.67,1137 5.982,1138 28.042,1139 3.185,1140 17.396,1141 21.867,1142 13.468,1143 35.586,1144 17.202,1145 1.36,1146 4.635,1147 29.977,1148 3.003,1149 18.602,1150 23.398,1151 14.386,1152 38.102,1153 18.399,1154 5256,1155 10143,1156 17.918,1157 24.119,1158 41.908,1159 45.099,1160 43.798,1161 41.456,1162 41.408,1163 58.478,1164 9.523,1165 127.069,1166 40.825,1167 5.706,1168 5.962,1169 6.993,1170 5.455,1171 5.426,1172 7.739,1173 4.612,1174 20.619,1175 5.388,1176 11.72,1177 1.552,1178 1.67,1179 1.622,1180 1.535,1181 1.534,1182 2.166,1183 0.353,1184 4.706,1185 1.512,1186 4.168,1187 4.183,1188 4.148,1189 4.098,1190 7.815,1191 4.105,1192 3.862,1193 3.904,1194 3.819,1195 3.737,1196 7.444,1197 3.747,1198 3.672,1199 3.692,1200 3.651,1201 3.439,1202 7.411,1203 3.461,1204 3.473,1205 3.5,1206 3.41,1207 3.316,1208 6.999,1209 3.349,1210 3.287,1211 3.304,1212 3.255,1213 2.905,1214 4.894,1215 3.002,1216 2.895,1217 2.907,1218 2.847,1219 2.726,1220 4.801,1221 2.735,1222 2.811,1223 2.861,1224 2.7,1225 2.613,1226 4.27,1227 2.631,1228 2.726,1229 2.778,1230 2.618,1231 2.55,1232 3.87,1233 2.547,1234 0.178,1235 0.147,1236 0.266,1237 0.164,1238 0.127,1239 4.804,1240 0.176,1241 3.962,1242 0.097,1243 7.191,1244 0.467,1245 4.415,1246 0.125,1247 3.426,1248 4.739,1249 2.612,1250 12.619,1251 3.388,1252 2.114,1253 2.102,1254 2.161,1255 2.205,1256 1.341,1257 2.186,1258 1.815,1259 1.775,1260 1.929,1261 1.968,1262 0.943,1263 1.951,1264 1.526,1265 1.497,1266 1.659,1267 1.816,1268 0.71,1269 1.727,1270 1.4,1271 1.38,1272 1.459,1273 1.584,1274 0.512,1275 1.574,1276 1.049,1277 1.027,1278 1.148,1279 1.427,1280 0.196,1281 1.358,1282 0.843,1283 0.799,1284 1.079,1285 1.033,1286 0.07,1287 1.053,1288 0.748,1289 0.708,1290 0.972,1291 1.003,1293 0.976,1294 0.67,1295 0.616,1296 0.88,1297 0.895,1299 0.875,1300 4.007,1302 5.371,1304 6.963,1306 8.667,1308 10.432,1321 0.989,1326 24.504,1327 55.694,1328 103.936,1329 130.465,1330 154.465,1331 160.465,1332 162.465,1333 54.043,1334 7.653,1335 97.78,1336 97.78,1337 24,1338 12.844,1339 4.459,1340 3.755,1341 33.555,1342 74,1343 68,1344 0.249,1345 148.433,1346 259.64,1347 353.937,1348 19571,1350 16.845,1351 0.702,1352 0.507,1353 16.845,1354 12.171,1355 11.592,1356 0.429,1357 0.263,1358 6.983,1359 11.063,1360 6.893,1361 5.666,1362 11.592,1363 7.093,1364 10.679,1365 0.267,1366 0.131,1367 10.679,1368 5.251,1369 9.557,1370 0.162,1371 0.067,1372 9.557,1373 3.96,1374 8.7,1375 0.102,1376 0.035,1377 8.7,1378 2.934,1379 7.366,1380 0.063,1381 0.018,1382 7.366,1383 2.107,1384 0.369,1385 73.561,1386 0.236,1387 22.474,1388 0.761,1389 134,1390 485.877,1391 149.462,1392 464.691,1393 623.38,1394 428,1395 166,1396 462.328,1397 181.966,1398 460.2,1399 681.38,1400 433,1401 4.894}
{0 CHEMBL1595183,1 1.579,2 15,3 5.068,4 25.685,5 139.756,6 7.48,7 0.486,8 4.253,9 4.366,10 3.933,11 3.841,12 5.343,13 3.784,14 4.782,15 4.95,16 4.26,17 4.224,18 6.044,19 4.156,20 5.038,21 5.198,22 4.362,23 4.423,24 6.218,25 4.325,26 5.245,27 5.472,28 4.368,29 4.462,30 6.365,31 4.329,32 5.218,33 5.439,34 4.323,35 4.398,36 6.4,37 4.282,38 5.089,39 5.271,40 4.156,41 4.331,42 6.313,43 4.214,44 5.165,45 5.421,46 3.967,47 4.245,48 6.219,49 4.098,50 4.965,51 5.24,52 3.883,53 4.093,54 6.094,55 3.944,56 0.092,57 0.942,58 16.618,59 6.562,60 18.812,61 8.207,62 0.387,63 1.473,64 27.18,65 11.079,66 66.992,67 14.362,68 0.247,69 1.889,70 35.406,71 14.001,72 58.409,73 17.4,74 0.348,75 2.16,76 50.622,77 18.004,78 81.472,79 22.723,80 0.577,81 2.012,82 51.13,83 17.317,84 129.741,85 20.988,86 0.539,87 1.847,88 44.411,89 15.251,90 108.684,91 18.101,92 0.769,93 1.856,94 44.585,95 14.49,96 134.939,97 19.742,98 0.578,99 1.542,100 36.141,101 12.953,102 115.697,103 18.148,104 106,105 55,106 0.249,107 0.544,108 0.665,109 0.75,110 0.787,111 0.797,112 3.588,113 1.028,114 -4.88,115 -4.79,116 -4.5,120 40.9,121 6,124 1,143 10,144 4,145 4,159 2,174 16,176 1,177 2,180 4,182 8,185 21,189 6,194 10,197 17,201 16,206 6,209 11,214 14,218 1,219 3,222 19,227 8,230 1,231 1,232 3,235 21,243 2,245 2,247 18,251 2,255 2,257 4,260 15,263 1,264 4,269 6,271 10,274 2307,275 21.96,276 21.96,277 21.96,278 21.96,279 21.96,280 19.16,281 28.473,282 12.464,283 22.174,284 18.219,285 18.219,286 18.219,287 18.219,288 18.219,289 13.885,290 33.78,291 5.937,292 18.584,293 4.465,294 2.595,295 1.826,296 1.289,297 1.054,298 0.993,299 4.258,307 1,308 1087,309 5,313 416.327,320 2.457,321 45.616,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 75.5,333 525,334 4.913,335 4.712,336 7.433,337 4.434,338 3.488,339 4.771,340 1.907,341 13.019,342 3.356,343 4.437,344 3.572,345 7.105,346 4.25,347 3.272,348 3.913,349 1.058,350 11.657,351 3.12,352 4.212,353 3.539,354 6.069,355 3.857,356 2.86,357 3.774,358 0.149,359 8.741,360 2.846,361 4.04,362 3.532,363 6.035,364 3.656,365 2.671,366 3.628,368 8.414,369 2.634,370 3.986,371 2.857,372 5.525,373 3.611,374 2.621,375 3.319,377 7.479,378 2.584,379 3.706,380 2.679,381 5.327,382 3.328,383 2.352,384 3.053,386 6.79,387 2.288,388 3.56,389 2.575,390 5.18,391 3.175,392 2.184,393 2.839,395 6.423,396 2.155,397 3.252,398 2.243,399 4.746,400 2.846,401 1.834,402 2.442,404 4.747,405 1.841,406 2.999,407 1.921,408 4.643,409 2.58,410 1.58,411 2.174,413 4.639,414 1.579,415 2.903,416 1.681,417 4.406,418 2.534,419 1.536,420 2.013,422 4.516,423 1.53,424 2.769,425 1.63,426 4.047,427 2.273,428 1.258,429 1.781,431 3.356,432 1.266,433 2.5,434 1,435 3.455,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.414,445 2,446 1,447 1.5,449 2.275,450 1,451 1.492,452 0.88,453 3.414,454 1.232,455 0.252,456 0.286,458 0.632,459 0.245,460 1.444,461 0.792,462 3.047,463 1.158,464 0.182,465 0.22,467 0.44,468 0.176,469 16.867,470 0.482,471 1.414,472 0.04,473 46.25,474 1.321,475 25.5,476 0.729,477 20.75,478 0.593,479 33.5,480 0.957,481 38.333,482 0.581,483 40.218,484 1.149,485 8.756,486 0.25,487 7.501,488 0.214,489 0.257,490 0.079,491 0.296,496 0.558,497 1.246,498 0.863,499 1.182,500 0.639,501 0.987,502 0.429,503 1.031,504 0.724,505 0.912,506 0.465,507 0.847,508 1.087,509 1.27,510 1.138,511 1.189,512 0.999,513 1.199,514 0.924,515 1.101,516 1.099,517 1.147,518 0.855,519 1.018,520 1.361,521 0.916,522 1.171,523 1.02,524 1.398,525 0.894,526 1.439,527 1.187,528 1.574,529 1.373,530 1.462,531 1.238,532 1.207,533 0.811,534 0.943,535 0.806,536 1.288,537 0.952,538 0.413,539 0.815,540 0.664,541 0.78,542 0.418,543 0.816,544 11.5,545 0.314,546 5.111,547 3.125,548 2.947,549 1.826,550 0.729,551 0.675,552 0.455,553 0.3,554 18487,555 50640,556 1.917,557 47,558 15,559 10,562 3,563 3,567 1.762,568 1.721,569 3.801,570 0.792,575 104.213,576 1.579,577 3.449,578 4.218,579 4.756,580 4.991,581 5.051,582 3.272,583 4.572,584 5.098,585 4.056,586 2413.31,587 8.922,588 39489.9,593 398.93,594 1.799,595 4.999,596 0.311,597 0.01,598 0.093,599 0.056,600 0.055,601 0.034,602 0.016,603 0.019,604 0.013,605 0.009,606 0.616,607 0.17,608 0.88,609 1.045,610 192.91,611 0.052,612 -0.037,613 0.17,614 -0.02,615 -0.133,616 0.039,617 0.341,618 0.061,619 0.212,620 0.125,621 0.252,622 0.157,623 -0.151,624 -0.165,625 -0.156,626 -0.145,627 -0.103,628 -0.219,629 -0.019,630 -0.092,631 0.028,632 -0.065,633 0.031,634 -0.009,635 -0.118,636 0.061,637 0.007,638 0.063,639 -0.073,640 0.095,641 -0.191,642 -0.139,643 -0.38,644 -0.251,645 -0.151,646 -0.257,647 -0.107,648 0.121,649 -0.045,650 0.079,651 -0.181,652 0.007,653 0.317,654 0.099,655 0.225,656 0.141,657 0.281,658 0.192,659 4.741,660 6.192,661 0.514,662 43.507,663 1.001,664 1.122,665 3.654,666 13.35,667 0.669,668 3.638,669 4.025,670 4.19,671 4.394,672 4.625,673 4.654,674 4.7,675 4.71,676 4.654,677 4.762,678 8.802,679 0.629,680 493.68,681 3.638,682 5.22,683 6.052,684 6.95,685 7.805,686 8.701,687 9.567,688 10.463,689 11.335,690 12.231,691 4.5,696 1,698 2,709 10,714 8,716 18,723 1,738 66,739 22,740 3,741 37,743 68,744 27,745 18,746 8,747 10,748 1,752 3,753 3,759 6,760 1,768 20,769 7,772 4,776 1,778 4,782 2,789 31,790 7,791 3,792 8,793 1,797 3,803 1,804 4,823 3,838 1,855 3,857 1,859 6,862 35,866 1,871 3,876 1,886 6.1,889 4,893 20.333,894 13.667,895 7.375,896 3.729,898 3.284,899 1.428,900 0.956,901 7.734,902 10.958,903 3.932,904 4.58,905 5.035,906 5.57,907 6.104,908 6.263,909 6.548,910 6.716,911 6.783,912 7.176,913 0.9,914 56,915 13.259,917 5.881,918 7.967,919 24.408,921 19.9,924 2.467,925 86.333,929 329.591,930 185.494,931 52.426,933 94.603,935 5.807,936 179.686,937 424.194,938 52.426,939 52.951,940 36.022,941 100.57,942 120.417,943 22.563,945 329.591,947 329.591,948 232.113,949 94.603,950 5.807,952 329.591,953 94.603,956 88.973,957 126.735,958 22.212,960 329.591,961 147.029,962 185.494,964 5.807,965 329.591,966 31.973,967 147.714,968 52.426,969 94.603,970 329.591,971 147.029,972 185.494,973 0.606,974 0.327,975 0.16,976 0.092,977 25,978 14,979 0.103,980 7,982 1,983 4.386,984 316.629,986 18,987 160.77,992 1,993 26.462,994 10.229,995 6.716,997 147.029,998 16.72,1003 4.732,1005 52.426,1006 662.114,1007 50,1011 -3.824,1013 50.09,1017 -0.513,1020 66.061,1021 74.065,1022 0.261,1023 0.571,1024 0.698,1025 0.787,1026 0.826,1027 0.836,1028 5.207,1029 1.834,1030 6.129,1031 6.423,1032 4.71,1033 5.268,1034 2.229,1035 7.006,1036 4.669,1037 6.484,1038 1.58,1039 7.751,1040 4.747,1041 4.691,1042 5.434,1043 1.593,1044 8.31,1045 4.615,1046 7.852,1047 1.536,1048 9.487,1049 4.639,1050 6.454,1051 7.565,1052 3.033,1053 11.301,1054 6.349,1055 9.254,1056 1.258,1057 11.289,1058 4.516,1059 7.155,1060 8.459,1061 3.032,1062 13.378,1063 7.004,1064 10.686,1065 1,1066 13.136,1067 3.356,1068 8.526,1069 10.192,1070 4.086,1071 16.032,1072 8.344,1073 12.139,1074 1,1075 15.014,1076 2.275,1077 9.521,1078 11.413,1079 4.409,1080 18.398,1081 9.288,1082 13.611,1083 0.252,1084 16.916,1085 2.275,1086 10.77,1087 13.01,1088 5.267,1089 20.965,1090 10.502,1091 3.488,1092 0.182,1093 18.836,1094 0.632,1095 11.89,1096 14.393,1097 5.75,1098 23.44,1099 11.572,1100 3.272,1101 13.019,1102 20.771,1103 0.44,1104 13.106,1105 15.945,1106 6.507,1107 25.987,1108 12.749,1109 2.86,1110 11.657,1111 22.716,1112 4.771,1113 14.281,1114 17.41,1115 7.068,1116 28.504,1117 13.875,1118 2.671,1119 8.741,1120 24.671,1121 3.913,1122 15.494,1123 18.951,1124 7.773,1125 31.048,1126 15.046,1127 2.621,1128 8.414,1129 26.634,1130 3.774,1131 16.695,1132 20.459,1133 8.374,1134 33.583,1135 16.201,1136 2.352,1137 7.479,1138 28.602,1139 3.628,1140 17.911,1141 22.002,1142 9.051,1143 36.129,1144 17.374,1145 2.184,1146 6.79,1147 30.575,1148 3.319,1149 19.126,1150 23.533,1151 9.674,1152 38.674,1153 18.545,1154 18325,1155 30600,1156 22.77,1157 44.142,1158 56.886,1159 59.419,1160 58.502,1161 56.192,1162 56.181,1163 74.428,1164 6.229,1165 170.808,1166 55.239,1167 5.766,1168 6.712,1169 6.847,1170 5.5,1171 5.488,1172 7.771,1173 3.306,1174 20.977,1175 5.356,1176 25.623,1177 1.537,1178 1.606,1179 1.581,1180 1.519,1181 1.518,1182 2.012,1183 0.168,1184 4.616,1185 1.493,1186 4.127,1187 4.119,1188 4.739,1189 4.111,1190 7.717,1191 4.046,1192 3.954,1193 3.983,1194 3.913,1195 3.874,1196 7.432,1197 3.876,1198 3.883,1199 3.913,1200 3.849,1201 3.813,1202 7.428,1203 3.808,1204 3.736,1205 3.743,1206 3.793,1207 3.675,1208 6.999,1209 3.604,1210 3.562,1211 3.6,1212 3.452,1213 3.453,1214 4.781,1215 3.416,1216 3.527,1217 3.563,1218 3.441,1219 3.299,1220 4.712,1221 3.323,1222 3.28,1223 3.312,1224 3.234,1225 3.068,1226 4.676,1227 3.097,1228 3.101,1229 3.204,1230 2.854,1231 2.921,1232 4.244,1233 2.892,1234 0.133,1235 0.127,1236 0.201,1237 0.12,1238 0.094,1239 4.913,1240 0.129,1241 4.712,1242 0.052,1243 7.433,1244 0.352,1245 4.434,1246 0.091,1247 3.488,1248 4.771,1249 1.907,1250 13.019,1251 3.356,1252 2.032,1253 2.032,1254 2.1,1255 2.094,1256 1.35,1257 2.124,1258 1.926,1259 1.9,1260 2.024,1261 2.034,1262 1.129,1263 2.033,1264 1.87,1265 1.842,1266 1.975,1267 1.968,1268 1.089,1269 1.977,1270 1.676,1271 1.649,1272 1.887,1273 1.815,1274 1.056,1275 1.855,1276 1.472,1277 1.472,1278 1.705,1279 1.713,1280 0.723,1281 1.708,1282 1.443,1283 1.397,1284 1.561,1285 1.623,1286 0.714,1287 1.664,1288 1.181,1289 1.142,1290 1.449,1291 1.429,1292 0.591,1293 1.454,1294 1.134,1295 1.044,1296 1.417,1297 1.382,1298 0.469,1299 1.396,1300 4.317,1302 5.687,1304 7.228,1306 8.845,1308 10.506,1310 11.258,1317 8.064,1322 -0.192,1326 41.486,1327 104.213,1328 227.658,1329 278.387,1330 313.871,1331 329.381,1332 333.381,1333 109.201,1334 7.674,1335 104.37,1336 112.75,1337 18,1338 12.761,1339 4.524,1340 3.807,1341 71.073,1342 187,1343 198,1344 0.185,1345 262.881,1346 463.51,1347 633.189,1348 24382,1350 25.966,1351 0.742,1352 0.618,1353 26.216,1354 21.631,1355 16.258,1356 0.439,1357 0.343,1358 11.223,1359 15.058,1360 10.504,1361 8.908,1362 17.079,1363 12.68,1364 16.68,1365 0.303,1366 0.204,1367 17.962,1368 11.213,1369 11.943,1370 0.184,1371 0.11,1372 13.042,1373 7.145,1374 9.36,1375 0.117,1376 0.061,1377 10.578,1378 4.885,1379 7.575,1380 0.075,1381 0.035,1382 8.629,1383 3.563,1384 0.301,1385 109.11,1386 0.21,1387 32.781,1388 0.481,1389 184,1390 536.801,1391 235.445,1392 547.155,1393 731.68,1394 500,1395 212,1396 504.883,1397 271.718,1398 556.296,1399 798.19,1400 516,1401 4.902}
{0 CHEMBL1595412,1 1.591,2 13.214,3 4.06,4 16.482,5 104.177,6 8.226,7 0.6,8 3.938,9 4.028,10 3.578,11 3.479,12 5.199,13 3.485,14 4.405,15 4.523,16 3.887,17 3.815,18 5.752,19 3.81,20 4.604,21 4.754,22 3.952,23 3.904,24 5.837,25 3.887,26 4.689,27 4.863,28 3.88,29 3.826,30 6.001,31 3.805,32 4.609,33 4.81,34 3.789,35 3.768,36 5.882,37 3.735,38 4.52,39 4.693,40 3.713,41 3.71,42 6.029,43 3.666,44 4.344,45 4.523,46 3.545,47 3.65,48 5.525,49 3.579,50 4.361,51 4.578,52 3.464,53 3.505,54 5.523,55 3.45,56 0.17,57 0.616,58 7.591,59 4.11,60 6.463,61 4.659,62 0.397,63 0.925,64 14.291,65 6.65,66 49.845,67 7.496,68 0.38,69 1.128,70 18.48,71 7.979,72 29.834,73 9.357,74 0.717,75 1.161,76 23.005,77 8.291,78 69.885,79 9.703,80 0.573,81 1.082,82 22.204,83 8.021,84 58.927,85 9.913,86 0.861,87 0.955,88 20.127,89 7.298,90 134.639,91 8.684,92 0.339,93 0.87,94 14.992,95 6.525,96 34.97,97 8.185,98 0.337,99 0.862,100 17.224,101 6.263,102 38.283,103 8.082,104 21,105 40,106 0.269,107 0.546,108 0.695,109 0.824,110 0.844,111 0.844,112 3.374,113 0.847,114 -4.72,115 -4.63,116 -4.36,120 45.7,125 1,126 1,143 12,144 2,145 4,159 1,167 2,174 11,176 1,177 6,180 1,182 3,185 10,188 1,189 12,194 4,197 6,200 2,201 11,206 1,209 4,213 1,214 5,217 2,222 12,226 3,230 3,235 14,239 1,240 3,245 1,247 8,252 10,257 2,260 2,264 8,269 2,271 1,274 1278,275 18.938,276 18.938,277 18.938,278 18.938,279 18.938,280 16.344,281 22.562,282 11.313,283 19.315,284 14.733,285 14.733,286 14.733,287 14.733,288 14.733,289 10.82,290 27.958,291 5.294,292 15.227,293 3.933,294 2.297,295 1.419,296 0.658,297 0.538,298 0.538,299 4.057,305 1,306 1,307 1,308 780,309 3.606,313 322.364,320 2.214,321 34.834,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 62,333 370,334 4.448,335 3.816,336 6.453,337 4.014,338 3.04,339 4.171,340 2.612,341 9.946,342 2.965,343 4.103,344 3.566,345 5.989,346 3.713,347 2.742,348 3.664,349 1.151,350 8.462,351 2.654,352 3.952,353 2.997,354 5.494,355 3.561,356 2.589,357 3.448,358 1.058,359 7.365,360 2.517,361 3.874,362 2.851,363 5.332,364 3.454,365 2.46,366 3.403,367 0.86,368 6.931,369 2.437,370 3.529,371 2.657,372 5.1,373 3.068,374 2.118,375 2.878,377 6.27,378 2,379 3.42,380 2.365,381 4.889,382 2.904,383 1.96,384 2.709,386 5.195,387 1.845,388 2.918,389 1.997,390 4.096,391 2.488,392 1.499,393 2.087,395 3.463,396 1.481,397 2.795,398 1.641,399 3.638,400 2.309,401 1.308,402 1.817,404 3.139,405 1.293,406 2.609,407 1.44,408 3.608,409 2,410 1,411 1.596,413 2.419,414 1,415 2.5,416 1.105,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1.046,426 3.247,427 2,428 1,429 1.5,431 2.136,432 1,433 1.902,434 1,435 3.139,436 1.593,437 0.692,438 0.809,440 1.59,441 0.616,442 1.714,443 1,444 2.898,445 1.397,446 0.515,447 0.592,449 0.848,450 0.449,451 1.288,452 1,453 2.646,454 0.933,455 -0.037,456 -0.045,458 -0.086,459 -0.035,460 1,461 0.564,462 2.315,463 0.481,464 -0.461,465 -0.566,467 -0.924,468 -0.427,469 12.967,470 0.463,471 0.609,472 0.022,473 41.5,474 1.482,475 24,476 0.857,477 17.5,478 0.625,479 17.075,480 0.61,481 29.633,482 0.644,483 32.267,484 1.152,485 8.689,486 0.31,487 4.874,488 0.174,489 0.116,491 0.301,496 0.576,497 1.067,498 0.678,499 0.996,500 0.531,501 0.891,502 0.859,503 1.079,504 0.848,505 1.008,506 0.515,507 0.948,508 0.92,509 1.245,510 0.955,511 1.194,512 0.702,513 1.105,514 1.153,515 1.109,516 1.085,517 1.061,518 1.055,519 1.051,520 0.982,521 0.831,522 0.909,523 0.892,524 1.161,525 0.881,526 0.946,527 0.745,528 1.046,529 0.794,530 1.279,531 0.926,532 0.618,533 1.159,534 0.997,535 1.164,536 0.658,537 1.176,538 0.867,539 1.086,540 0.933,541 1.052,542 0.837,543 1.007,544 5.5,545 0.169,546 2.889,547 1.25,548 1.627,549 0.972,550 0.283,551 0.41,552 0.25,553 0.126,554 10812,555 34766,556 2.034,557 39.1,559 17,562 1,567 1.704,568 1.909,569 3.662,570 -0.323,572 1,575 73.177,576 1.591,577 3.227,578 4.104,579 4.866,580 4.985,581 4.985,582 3.115,583 4.379,584 4.777,585 3.859,586 1458.67,587 8.272,588 20456.5,590 1,592 1,593 254.084,594 1.379,595 4.74,596 0.183,597 0.009,598 0.072,599 0.03,600 0.045,601 0.029,602 0.009,603 0.015,604 0.01,605 0.006,606 0.41,607 0.17,608 1,609 0.845,610 144.288,611 0.107,612 0.044,613 0.05,614 0.005,615 -0.029,616 0.005,617 0.031,618 -0.05,619 -0.011,620 -0.008,621 0.137,622 -0.022,623 -0.053,624 -0.221,625 -0.066,626 -0.215,627 -0.008,628 -0.159,629 -0.037,630 -0.125,631 -0.083,632 -0.106,633 -0.02,634 -0.103,635 -0.008,636 0.149,637 0.108,638 0.077,639 -0.038,640 0.113,641 0.194,642 0.213,643 -0.037,644 0.183,645 0.146,646 0.04,647 0.067,648 -0.164,649 -0.096,650 -0.16,652 -0.169,653 -0.046,654 -0.1,655 0.076,656 -0.083,657 -0.001,658 0.012,659 2.589,660 5.378,661 0.643,662 32.02,663 1.02,664 1.117,665 3.489,666 12.176,667 0.682,668 3.434,669 3.714,670 3.932,671 4.111,672 4.317,673 4.263,674 4.304,675 4.344,676 4.394,677 4.419,678 7.725,679 0.67,680 378.41,681 3.434,682 4.949,683 5.771,684 6.619,685 7.458,686 8.307,687 9.152,688 10.003,689 10.85,690 11.703,691 4.3,698 1,702 1,709 12,714 6,716 18,723 1,731 1,735 2,738 46,739 21,740 3,741 30,743 48,744 21,745 18,746 6,747 12,748 1,752 3,753 3,768 19,769 2,772 3,775 1,778 3,782 1,786 1,789 18,790 6,791 1,792 7,797 2,803 1,804 5,823 3,855 3,859 1,862 28,869 1,871 1,872 2,886 10.9,889 1,891 2,892 2,893 14.667,894 8.533,895 6.333,896 2.478,898 3.255,899 1.454,900 0.96,901 6.375,902 10.433,903 3.761,904 4.337,905 4.846,906 5.347,907 5.866,908 5.921,909 6.152,910 6.347,911 6.62,912 6.946,913 0.889,914 41,915 10.319,917 4.342,918 8.06,919 18.974,921 14.807,924 2.56,925 71.667,928 1,929 200.109,930 156.267,931 23.681,933 97.892,936 156.267,937 298,938 23.681,939 16.553,940 22.603,941 113.715,942 29.85,943 44.371,945 200.109,946 50.747,947 200.109,948 179.947,949 97.892,952 200.109,953 47.145,954 50.747,956 22.603,957 151.674,958 5.67,960 200.109,961 121.572,962 156.267,965 200.109,966 31.669,967 130.268,968 18.011,969 97.892,970 200.109,971 121.572,972 156.267,973 0.571,974 0.331,975 0.171,976 0.094,977 17,978 8,979 0.146,980 7,982 1,983 4.071,984 224.269,986 18,987 124.606,993 19.551,994 9.131,995 5.17,997 115.902,998 20.735,1003 2.275,1005 18.011,1006 477.948,1007 42,1010 -0.589,1013 34.569,1017 -0.455,1020 46.909,1021 51.365,1022 0.288,1023 0.584,1024 0.743,1025 0.881,1026 0.903,1027 0.903,1028 4.959,1029 1.308,1030 5.733,1031 3.463,1032 4.394,1033 5.024,1034 2.921,1035 6.482,1036 4.335,1037 6.159,1038 1,1039 7.258,1040 3.139,1041 3.892,1042 4.771,1043 2.361,1044 7.277,1045 3.813,1046 7.452,1047 1,1048 8.88,1049 2.419,1050 5.932,1051 7.187,1052 4.26,1053 10.315,1054 5.818,1055 8.78,1056 1,1057 10.559,1058 2.275,1059 6.236,1060 7.72,1061 4.506,1062 11.928,1063 6.096,1064 10.135,1065 0.692,1066 12.276,1067 2.136,1068 7.731,1069 9.609,1070 5.969,1071 14.471,1072 7.567,1073 11.511,1074 0.515,1075 14.018,1076 1.59,1077 8.414,1078 10.516,1079 6.556,1080 16.439,1081 8.221,1082 12.902,1083 -0.037,1084 15.778,1085 0.848,1086 9.673,1087 12.171,1088 7.798,1089 18.808,1090 9.461,1091 3.04,1092 -0.461,1093 17.553,1094 -0.086,1095 10.549,1096 13.284,1097 8.548,1098 20.941,1099 10.307,1100 2.742,1101 9.946,1102 19.339,1103 -0.924,1104 11.703,1105 14.82,1106 9.671,1107 23.249,1108 11.442,1109 2.589,1110 8.462,1111 21.135,1112 4.171,1113 12.68,1114 16.054,1115 10.509,1116 25.461,1117 12.389,1118 2.46,1119 7.365,1120 22.938,1121 3.664,1122 13.79,1123 17.528,1124 11.563,1125 27.749,1126 13.479,1127 2.118,1128 6.931,1129 24.749,1130 3.448,1131 14.82,1132 18.836,1133 12.452,1134 30,1135 14.48,1136 1.96,1137 6.27,1138 26.565,1139 3.403,1140 15.913,1141 20.278,1142 13.468,1143 32.285,1144 15.551,1145 1.499,1146 5.195,1147 28.387,1148 2.878,1149 16.972,1150 21.63,1151 14.386,1152 34.555,1153 16.582,1154 10512,1155 19055,1156 19.879,1157 31.375,1158 44.13,1159 46.368,1160 45.261,1161 43.782,1162 43.845,1163 60.348,1164 11.363,1165 120.079,1166 42.512,1167 5.295,1168 5.816,1169 6.255,1170 5.07,1171 5.04,1172 7.171,1173 4.612,1174 16.415,1175 4.965,1176 14.005,1177 1.471,1178 1.546,1179 1.509,1180 1.459,1181 1.462,1182 2.012,1183 0.379,1184 4.003,1185 1.417,1186 4.025,1187 4.045,1188 3.993,1189 3.907,1190 7.815,1191 3.918,1192 3.931,1193 3.955,1194 3.873,1195 3.845,1196 7.429,1197 3.846,1198 3.857,1199 3.887,1200 3.792,1201 3.786,1202 6.999,1203 3.784,1204 3.538,1205 3.553,1206 3.52,1207 3.182,1208 4.888,1209 3.251,1210 3.349,1211 3.383,1212 3.273,1213 3.038,1214 4.806,1215 3.074,1216 3.228,1217 3.28,1218 3.093,1219 2.981,1220 4.721,1221 3.02,1222 3.099,1223 3.162,1224 2.929,1225 2.858,1226 4.355,1227 2.863,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.289,1233 2.715,1234 0.148,1235 0.127,1236 0.215,1237 0.134,1238 0.101,1239 4.448,1240 0.139,1241 3.816,1242 0.087,1243 6.453,1244 0.332,1245 4.014,1246 0.099,1247 3.04,1248 4.171,1249 2.612,1250 9.946,1251 2.965,1252 1.937,1253 1.918,1254 2.042,1255 2.095,1256 1.141,1257 2.057,1258 1.908,1259 1.885,1260 2.006,1261 2.016,1262 1.103,1263 2.018,1264 1.85,1265 1.825,1266 1.954,1267 1.95,1268 1.042,1269 1.955,1270 1.303,1271 1.28,1272 1.575,1273 1.696,1274 0.609,1275 1.589,1276 1.186,1277 1.143,1278 1.454,1279 1.558,1280 0.577,1281 1.55,1282 1.184,1283 1.126,1284 1.31,1285 1.436,1286 0.278,1287 1.437,1288 1.04,1289 0.979,1290 1.239,1291 1.308,1292 0.218,1293 1.3,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.111,1302 5.398,1304 6.88,1306 8.445,1308 10.052,1310 1.337,1315 0.446,1317 2.705,1318 10.643,1326 30.831,1327 73.177,1328 148.435,1329 188.8,1330 223.819,1331 229.329,1332 229.329,1333 60.483,1334 7.178,1335 93.38,1336 93.38,1337 18,1338 12.26,1339 4.459,1340 3.7,1341 50.099,1342 131,1343 126,1344 0.185,1345 191.398,1346 338.99,1347 458.771,1348 13259,1350 19.933,1351 0.712,1352 0.54,1353 19.933,1354 15.124,1355 13.563,1356 0.452,1357 0.282,1358 8.322,1359 12.903,1360 8.133,1361 6.792,1362 13.563,1363 8.472,1364 11.83,1365 0.296,1366 0.147,1367 11.83,1368 5.897,1369 9.653,1370 0.193,1371 0.08,1372 9.653,1373 3.998,1374 7.564,1375 0.126,1376 0.043,1377 7.564,1378 2.553,1379 6.136,1380 0.083,1381 0.023,1382 6.136,1383 1.677,1384 0.301,1385 86.285,1386 0.224,1387 27.474,1388 0.48,1389 140,1390 510.656,1391 156.866,1392 481.757,1393 636.64,1394 446,1395 160,1396 456.255,1397 176.677,1398 456.406,1399 654.03,1400 425,1401 4.817}
{0 CHEMBL1595790,1 1.607,2 8.8,3 2.853,4 8.142,5 74.444,6 7.22,7 0.476,8 3.726,9 3.86,10 3.247,11 3.185,12 4.889,13 3.178,14 4.23,15 4.423,16 3.652,17 3.553,18 5.4,19 3.528,20 4.416,21 4.595,22 3.605,23 3.633,24 5.619,25 3.584,26 4.631,27 4.919,28 3.447,29 3.504,30 5.788,31 3.415,32 4.187,33 4.429,34 3.294,35 3.222,36 5.327,37 3.202,38 4.096,39 4.311,40 3.148,41 3.187,42 5.371,43 3.142,44 4.085,45 4.351,46 3.135,47 3.136,48 5.136,49 3.079,50 4.006,51 4.224,52 2.947,53 3.109,54 5.096,55 3.052,56 0.05,57 0.565,58 8.173,59 3.08,60 8.714,61 4.373,62 0.316,63 0.835,64 14.945,65 5.489,66 31.493,67 7.698,68 0.16,69 0.961,70 17.75,71 5.669,72 26.286,73 8.415,74 0.739,75 0.908,76 26.199,77 6.094,78 96.846,79 9.808,80 0.273,81 0.699,82 15.532,83 3.316,84 33.568,85 5.711,86 0.419,87 0.657,88 13.899,89 2.839,90 49.42,91 4.852,92 0.169,93 0.599,94 13.99,95 3.731,96 23.211,97 6.054,98 0.332,99 0.544,100 13.115,101 3.339,102 30.613,103 4.811,104 42,105 31,106 0.291,107 0.655,108 0.737,109 0.759,110 0.759,111 0.759,112 3.057,113 0.898,114 -3.65,115 -3.62,116 -3.45,120 36.8,121 4,124 1,143 3,144 1,147 1,153 1,159 1,160 1,163 1,164 1,165 1,166 1,174 7,176 3,177 3,179 1,180 3,181 1,182 1,184 1,185 7,189 7,194 3,197 2,200 1,201 6,203 3,204 5,206 1,211 1,214 6,219 3,224 3,226 2,227 3,232 4,237 2,240 6,245 4,249 2,252 2,257 2,260 2,262 1,264 2,271 8,274 462,275 12.436,276 12.436,277 12.436,278 12.436,279 12.436,280 10.898,281 14.933,282 7.076,283 12.628,284 10.361,285 10.361,286 10.361,287 10.361,288 10.361,289 7.979,290 18.848,291 3.403,292 10.669,293 3.641,294 1.633,295 1.179,296 1.054,297 1.054,298 1.054,299 3.703,305 1,306 1,307 1,308 358,309 4,312 44.515,313 57.717,316 86.02,320 1.42,321 21.075,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 44,333 176,334 4.495,335 3.947,336 7.058,337 4.295,338 3.292,339 4.441,340 1.913,341 11.365,342 3.3,343 4.385,344 3.118,345 6.271,346 3.991,347 3.017,348 3.541,349 1.202,350 9.582,351 2.941,352 3.856,353 2.854,354 5.379,355 3.398,356 2.459,357 3.26,358 0.154,359 7.042,360 2.318,361 3.551,362 2.481,363 4.983,364 3.14,365 2.172,366 2.881,368 5.93,369 2.09,370 3.125,371 2.37,372 4.777,373 2.743,374 1.782,375 2.346,377 5.219,378 1.706,379 2.999,380 1.895,381 4.397,382 2.496,383 1.517,384 2.198,386 4.267,387 1.483,388 2.73,389 1.519,390 4.131,391 2.283,392 1.269,393 1.652,395 3.341,396 1.269,397 1.946,398 0.595,399 3.159,400 1.453,401 0.473,402 0.689,404 1.185,405 0.463,406 1.238,407 0.513,408 2.902,409 0.784,410 -0.163,411 -0.21,413 -0.459,414 -0.153,415 0.931,416 0.007,417 2.401,418 0.539,419 -0.453,420 -0.578,422 -1.146,423 -0.448,424 0.658,425 -0.217,426 2.303,427 0.356,428 -0.611,429 -0.7,431 -1.429,432 -0.585,433 0.544,434 -0.681,435 2,436 0.072,437 -0.906,438 -1,440 -2.674,441 -0.884,442 0.069,443 -0.809,444 2,446 -1,447 -1,449 -3,450 -1,452 -1,453 2,455 -1,456 -1.339,458 -3,459 -1,461 -1,462 1.739,463 -0.333,464 -1.318,465 -1.727,467 -3.376,468 -1.276,469 9.267,470 0.463,471 0.833,472 0.042,473 24.5,474 1.225,475 11.5,476 0.575,477 13,478 0.65,479 16.513,480 0.826,481 22.533,482 0.593,483 16.649,484 0.832,485 4.671,486 0.234,487 4.582,488 0.229,489 0.295,490 0.054,491 0.324,496 0.876,497 1.443,498 0.84,499 1.197,500 0.82,501 1.027,502 0.415,503 0.83,504 0.566,505 0.891,506 0.421,507 0.787,508 1.14,509 1.629,510 1.189,511 1.537,512 1.118,513 1.393,514 1.268,515 0.617,516 0.916,517 0.579,518 1.565,519 0.678,520 1.489,521 1.266,522 1.005,523 0.872,524 1.182,525 0.838,526 1.518,527 1.046,528 1.487,529 0.961,530 1.319,531 1.14,532 0.935,533 1.081,534 0.76,535 0.93,536 0.779,537 0.812,538 2.088,539 0.64,540 1.407,541 0.68,542 1.2,543 0.888,544 7,545 0.11,546 2.444,547 1.729,548 0.973,549 0.653,550 0.341,551 0.332,552 0.267,553 0.14,554 3574,555 9506,556 1.899,557 47.4,558 12,559 3,562 3,567 1.614,568 1.702,569 3.133,570 1.152,572 1,574 1,575 61.06,576 1.607,577 3.615,578 4.069,579 4.194,580 4.194,581 4.194,582 2.546,583 3.884,584 4.297,585 3.294,586 625.927,587 7.318,588 6520.62,589 1,590 1,591 1,592 1,593 199.421,594 1.788,595 4.189,596 0.333,597 0.014,598 0.079,599 0.064,600 0.044,601 0.033,602 0.021,603 0.02,604 0.019,605 0.013,606 0.639,607 0.67,608 1,609 1.818,610 89.446,611 -0.094,612 -0.155,613 0.024,614 -0.058,615 -0.165,616 0.002,617 0.455,618 0.294,619 0.36,620 0.179,621 0.276,622 0.229,623 -0.148,624 -0.502,625 -0.265,626 -0.498,627 -0.104,628 -0.416,629 0.069,630 0.215,631 0.155,632 0.27,633 0.015,634 0.225,635 -0.247,636 -0.258,637 0.02,638 -0.001,639 -0.112,640 0.052,641 -0.183,642 0.095,643 -0.478,644 -0.116,645 -0.175,646 -0.299,647 -0.008,648 -0.138,649 0.23,650 0.003,651 0.054,652 0.151,653 -0.539,654 0.346,655 -0.37,656 0.241,657 -0.239,658 0.01,659 1.884,660 4.759,661 0.45,662 14.5,663 1.007,664 1.14,665 2.42,666 5.858,667 0.638,668 3.091,669 3.466,670 3.584,671 3.761,672 3.912,673 3.912,674 4.007,675 4.025,676 3.932,677 3.85,678 5.428,679 0.611,680 274.36,681 3.091,682 4.654,683 5.468,684 6.354,685 7.194,686 8.076,687 8.926,688 9.805,689 10.663,690 11.54,691 10.5,692 1,698 1,700 1,701 1,708 2,709 3,710 1,712 1,714 2,716 10,738 38,739 12,740 1,741 21,743 39,744 14,745 7,746 3,747 3,748 1,752 2,753 3,756 1,759 4,760 1,768 9,769 5,772 2,778 1,781 1,782 2,785 1,786 1,789 18,790 6,791 3,792 6,797 4,803 0.5,804 2,808 1,822 1,823 1,826 1,838 1,848 1,855 1,859 4,862 20,863 1,871 1,876 1,886 5.3,889 1,891 1,893 11.75,894 8.067,895 4.194,896 2.103,898 2.587,899 1.411,900 0.926,901 3.818,902 8.886,903 3.367,904 4.012,905 4.526,906 5.112,907 5.615,908 5.993,909 6.387,910 6.74,911 6.734,912 6.845,913 0.833,914 27,915 7.352,917 3.046,918 7.913,919 13.691,921 10.706,924 2.413,925 48.25,929 176.567,930 85.09,931 84.479,933 34.652,936 85.09,937 211.219,938 84.479,939 35.301,940 50.908,941 28.429,942 46.635,943 36.214,944 6.735,945 176.567,947 176.567,948 169.569,949 34.652,952 176.567,953 34.652,956 109.73,957 43.054,958 16.786,960 176.567,961 119.131,962 85.09,965 176.567,966 21.361,967 63.73,968 18.011,969 101.121,970 176.567,971 119.131,972 85.09,973 0.607,974 0.32,975 0.146,976 0.081,977 15,978 8,979 0.077,980 3,981 1,982 1.222,983 3.14,984 141.554,985 0.222,986 9,987 81.684,993 14.537,994 5.252,995 3.586,996 1.336,997 119.131,998 5.633,999 4.198,1001 5.431,1003 1.202,1005 50.908,1006 380.788,1007 28,1013 11.759,1016 3.964,1017 -0.251,1020 38.247,1021 43.318,1022 0.306,1023 0.689,1024 0.775,1025 0.799,1026 0.799,1027 0.799,1028 4.63,1029 0.473,1030 5.541,1031 3.341,1032 4.143,1033 4.696,1034 2.254,1035 6.382,1036 4.093,1037 5.902,1038 -0.163,1039 7.141,1040 1.185,1041 4.111,1042 4.758,1043 1.755,1044 7.582,1045 4.062,1046 7.251,1047 -0.453,1048 8.849,1049 -0.459,1050 5.849,1051 6.959,1052 3.064,1053 10.514,1054 5.766,1055 8.631,1056 -0.611,1057 10.619,1058 -1.146,1059 6.524,1060 7.738,1061 3.125,1062 12.469,1063 6.458,1064 10.034,1065 -0.906,1066 12.43,1067 -1.429,1068 7.875,1069 9.518,1070 4.12,1071 15.03,1072 7.787,1073 11.456,1074 -1,1075 14.27,1076 -2.674,1077 8.838,1078 10.647,1079 4.465,1080 17.269,1081 8.767,1082 12.891,1083 -1,1084 16.132,1085 -3,1086 10.062,1087 12.254,1088 5.302,1089 19.722,1090 9.981,1091 3.292,1092 -1.318,1093 18.011,1094 -3,1095 11.144,1096 13.563,1097 5.793,1098 22.068,1099 11.076,1100 3.017,1101 11.365,1102 19.904,1103 -3.376,1104 12.327,1105 15.096,1106 6.544,1107 24.49,1108 12.256,1109 2.459,1110 9.582,1111 21.807,1112 4.441,1113 13.459,1114 16.496,1115 7.11,1116 26.878,1117 13.397,1118 2.172,1119 7.042,1120 23.719,1121 3.541,1122 14.631,1123 17.998,1124 7.814,1125 29.294,1126 14.571,1127 1.782,1128 5.93,1129 25.638,1130 3.26,1131 15.785,1132 19.444,1133 8.419,1134 31.7,1135 15.732,1136 1.517,1137 5.219,1138 27.562,1139 2.881,1140 16.956,1141 20.936,1142 9.098,1143 34.117,1144 16.907,1145 1.269,1146 4.267,1147 29.491,1148 2.346,1149 18.121,1150 22.403,1151 9.723,1152 36.532,1153 18.078,1154 3703,1155 6178,1156 12.83,1157 24.262,1158 32.844,1159 33.215,1160 33.069,1161 31.98,1162 31.962,1163 42.014,1164 6.54,1165 95.861,1166 31.138,1167 5.329,1168 5.947,1169 6.361,1170 5.354,1171 5.292,1172 7.441,1173 3.316,1174 18.188,1175 5.3,1176 13.306,1177 1.564,1178 1.582,1179 1.575,1180 1.523,1181 1.522,1182 2.001,1183 0.311,1184 4.565,1185 1.483,1186 4.083,1187 4.1,1188 4.057,1189 3.955,1190 7.428,1191 3.974,1192 3.807,1193 3.855,1194 3.719,1195 3.659,1196 5.284,1197 3.662,1198 3.547,1199 3.614,1200 3.468,1201 3.326,1202 5.052,1203 3.361,1204 3.333,1205 3.402,1206 3.219,1207 3.087,1208 4.445,1209 3.113,1210 2.995,1211 3.069,1212 2.851,1213 2.828,1214 4.268,1215 2.823,1216 2.909,1217 3.009,1218 2.787,1219 2.618,1220 4.025,1221 2.633,1222 2.874,1223 3.009,1224 2.517,1225 2.618,1226 3.922,1227 2.57,1228 2.874,1229 2.982,1230 2.499,1231 2.591,1232 3.616,1233 2.57,1234 0.214,1235 0.188,1236 0.336,1237 0.205,1238 0.157,1239 4.495,1240 0.211,1241 3.947,1242 0.091,1243 7.058,1244 0.541,1245 4.295,1246 0.157,1247 3.292,1248 4.441,1249 1.913,1250 11.365,1251 3.3,1252 1.92,1253 1.899,1254 2.023,1255 2.01,1256 1.18,1257 2.014,1258 1.77,1259 1.723,1260 1.985,1261 1.955,1262 1.138,1263 1.959,1264 1.44,1265 1.381,1266 1.553,1267 1.751,1268 0.597,1269 1.706,1270 1.219,1271 1.157,1272 1.52,1273 1.462,1274 0.469,1275 1.473,1276 1.076,1277 1.016,1278 1.417,1279 1.377,1280 0.469,1281 1.34,1282 0.934,1283 0.804,1284 1.417,1285 1.239,1286 0.354,1287 1.308,1288 0.934,1289 0.804,1290 1.23,1291 1.239,1292 0.21,1293 1.308,1294 0.787,1295 0.739,1296 1.038,1297 1.174,1299 1.14,1300 3.761,1302 5.118,1303 2.398,1304 6.629,1305 4.727,1306 8.21,1307 6.823,1308 9.828,1310 7.336,1313 5.673,1317 2.513,1322 -0.543,1326 23.203,1327 61.06,1328 137.382,1329 154.627,1330 159.382,1331 159.382,1332 159.382,1333 36.884,1334 6.299,1335 93.51,1336 93.51,1337 11,1338 12.082,1339 3.7,1340 3,1341 36.624,1342 66,1343 54,1344 0.281,1345 147.882,1346 249.98,1347 352.591,1348 3710,1350 14.914,1351 0.746,1352 0.601,1353 14.914,1354 12.02,1355 9.253,1356 0.441,1357 0.299,1358 6.185,1359 8.85,1360 5.843,1361 4.994,1362 9.253,1363 6.284,1364 9.619,1365 0.31,1366 0.183,1367 9.619,1368 5.669,1369 6.644,1370 0.19,1371 0.076,1372 6.644,1373 2.671,1374 4.928,1375 0.117,1376 0.036,1377 4.928,1378 1.508,1379 3.78,1380 0.077,1381 0.02,1382 3.78,1383 0.972,1384 0.44,1385 58.425,1386 0.279,1387 20.021,1388 0.767,1389 104,1390 324.406,1391 118.053,1392 313.94,1393 425.61,1394 290,1395 118,1396 320.641,1397 131.527,1398 325.099,1399 470.09,1400 301,1401 6.796}
{0 CHEMBL1596528,1 1.843,2 10.458,3 3.125,4 9.763,5 91.67,6 9.455,7 0.615,8 3.717,9 3.81,10 3.526,11 3.341,12 5.032,13 3.319,14 4.158,15 4.272,16 3.907,17 3.704,18 5.586,19 3.666,20 4.328,21 4.473,22 3.913,23 3.718,24 5.66,25 3.687,26 4.326,27 4.493,28 3.749,29 3.595,30 5.666,31 3.593,32 4.266,33 4.437,34 3.626,35 3.494,36 5.655,37 3.469,38 4.235,39 4.435,40 3.49,41 3.377,42 5.604,43 3.32,44 4.03,45 4.263,46 3.319,47 3.268,48 5.236,49 3.181,50 3.815,51 3.969,52 3.348,53 3.284,54 5.033,55 3.182,56 0.175,57 0.558,58 4.468,59 2.999,60 6.778,61 3.072,62 0.302,63 0.846,64 9.166,65 5.014,66 46.444,67 5.202,68 0.356,69 0.993,70 16.354,71 6.225,72 34.66,73 5.93,74 0.366,75 0.924,76 12.606,77 5.449,78 48.228,79 5.829,80 0.424,81 0.884,82 12.667,83 5.289,84 48.125,85 5.291,86 0.541,87 0.825,88 14.507,89 5.258,90 66.736,91 5.275,92 0.381,93 0.667,94 13.491,95 4.768,96 43,97 5.666,98 0.248,99 0.551,100 9.723,101 4.315,102 31.951,103 4.324,104 18,105 36,106 0.327,107 0.668,108 0.776,109 0.873,110 0.883,111 0.883,112 3.228,113 0.9,114 -3.78,115 -3.74,116 -3.56,120 44.4,121 1,143 7,144 2,147 2,153 1,154 1,156 1,159 1,167 2,170 1,174 7,176 1,177 7,180 1,182 1,185 9,188 1,189 13,194 2,197 6,201 7,206 3,209 5,213 2,214 4,217 1,219 4,222 3,226 3,227 6,230 1,232 1,235 3,240 2,243 2,247 5,251 1,252 1,260 4,263 2,264 6,271 7,274 820,275 15.999,276 15.999,277 15.999,278 15.999,279 15.999,280 13.515,281 12.134,282 9.467,283 16.343,284 12.833,285 12.833,286 12.833,287 12.833,288 12.833,289 9.072,290 9.531,291 4.49,292 13.402,293 3.327,294 1.4,295 0.789,296 0.243,297 0.188,298 0.188,299 3.907,305 1,306 1,307 1,308 536,309 3.464,312 69.99,313 127.593,317 109.09,320 1.503,321 29.758,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 53,333 251,334 4.579,335 3.782,336 6.682,337 4.132,338 3.139,339 4.505,340 2.612,341 10.79,342 3.117,343 4.311,344 3.592,345 5.998,346 3.749,347 2.851,348 4.026,349 0.98,350 8.557,351 2.551,352 3.831,353 2.93,354 5.668,355 3.422,356 2.43,357 3.252,359 7.424,360 2.402,361 3.728,362 2.645,363 5.205,364 3.175,365 2.231,366 3.178,368 6.38,369 2.103,370 3.557,371 2.334,372 5.016,373 3.131,374 2.156,375 2.966,377 5.945,378 2.083,379 3.105,380 1.952,381 4.512,382 2.603,383 1.621,384 2.279,386 4.378,387 1.586,388 2.908,389 1.837,390 3.758,391 2.392,392 1.4,393 2.077,395 3.031,396 1.389,397 2.886,398 1.416,399 3.651,400 2.24,401 1.26,402 1.967,404 2.898,405 1.228,406 2.486,407 1.38,408 3.569,409 1.94,410 0.964,411 1.375,413 2.354,414 0.934,415 2.258,416 1,417 3.254,418 1.671,419 0.685,420 1.054,422 1.652,423 0.664,424 2.164,425 0.965,426 3.162,427 1.529,428 0.641,429 0.969,431 1.548,432 0.553,433 1.221,434 0.721,435 2.704,436 0.792,437 -0.166,438 -0.219,440 -0.412,441 -0.158,442 1.144,443 0.458,444 2.41,445 0.702,446 -0.284,447 -0.371,449 -0.664,450 -0.278,451 1,452 -0.007,453 2.288,454 0.43,455 -0.567,456 -0.832,458 -1.547,459 -0.563,460 0.929,461 -0.419,462 2,463 0.027,464 -1,465 -1.264,467 -2,468 -0.982,469 11.433,470 0.476,471 0.63,472 0.026,473 35,474 1.458,475 20,476 0.833,477 15,478 0.625,479 15.549,480 0.648,481 24.567,482 0.682,483 24.842,484 1.035,485 7.039,486 0.293,487 4.503,488 0.188,489 0.131,491 0.341,496 0.403,497 0.892,498 0.643,499 0.76,500 0.504,501 0.772,502 0.503,503 1.096,504 0.738,505 0.927,506 0.444,507 0.87,508 0.809,509 1.242,510 1.141,511 1.305,512 0.715,513 1.079,514 1.064,515 1.219,516 0.721,517 0.954,518 0.997,519 1.013,520 1.115,521 1.113,522 0.995,523 1.031,524 1.051,525 1.144,526 1.195,527 0.81,528 1.004,529 0.849,530 1.232,531 1.062,532 0.754,533 0.601,534 0.759,535 0.601,536 0.725,537 0.737,538 0.841,539 0.761,540 1.161,541 0.967,542 0.964,543 0.962,544 5,545 0.126,546 2.667,547 1.722,548 1.562,549 0.601,550 0.364,551 0.19,552 0.216,553 0.12,554 6637,555 24189,556 2.04,557 33.3,559 7,561 1,562 1,563 3,567 1.665,568 1.895,569 3.334,570 -0.219,571 1,572 1,574 1,575 66.343,576 1.843,577 3.77,578 4.381,579 4.927,580 4.982,581 4.982,582 2.721,583 4.252,584 4.559,585 3.525,586 972.783,587 7.845,588 11783.3,589 1,590 1,591 1,592 1,593 186.117,594 1.459,595 4.507,596 0.192,597 0.007,598 0.074,599 0.049,600 0.049,601 0.022,602 0.017,603 0.01,604 0.011,605 0.006,606 0.439,607 0.33,608 1,609 0.813,610 115.487,611 0.201,612 0.188,613 0.052,614 0.125,615 -0.02,616 0.042,617 0.18,618 -0.067,619 0.124,620 0.047,621 0.18,622 0.028,623 -0.023,624 -0.195,625 -0.103,626 -0.268,627 -0.009,628 -0.141,629 -0.133,630 -0.275,631 0.02,632 -0.145,633 -0.079,634 -0.08,635 -0.108,636 -0.126,637 -0.16,638 -0.178,639 -0.078,640 -0.225,641 -0.084,642 0.154,643 -0.068,644 0.04,645 -0.137,646 -0.079,647 0.087,648 0.329,649 0.265,650 0.362,651 0.042,652 0.375,653 -0.03,654 0.192,655 -0.013,656 0.181,657 -0.128,658 0.089,659 2.466,660 5.357,661 0.625,662 19.431,663 1.028,664 1.117,665 2.552,666 6.512,667 0.724,668 3.296,669 3.611,670 3.85,671 4.094,672 4.263,673 4.234,674 4.205,675 4.22,676 4.29,677 4.205,678 6.331,679 0.709,680 340.39,681 3.296,682 4.828,683 5.666,684 6.538,685 7.397,686 8.271,687 9.137,688 10.011,689 10.88,690 11.755,691 11.1,698 1,700 1,701 1,702 1,708 2,709 7,710 1,713 1,714 4,716 16,731 1,738 36,739 20,740 1,741 26,743 38,744 16,745 13,746 2,747 4,748 2,752 3,753 4,755 1,759 1,768 15,769 1,772 4,775 1,778 3,780 1,781 1,782 1,785 1,786 1,789 12,790 6,791 1,792 8,793 1,797 4,803 0.667,804 3,816 1,822 1,823 2,827 1,855 2,857 1,859 1,862 24,871 1,880 1,886 8.3,889 1,892 2,893 12.667,894 6.933,895 5.278,896 1.986,898 3.85,899 1.554,900 0.985,901 4.629,902 10.8,903 3.664,904 4.301,905 4.889,906 5.495,907 5.998,908 6.282,909 6.544,910 6.829,911 7.18,912 7.154,913 0.857,914 35,915 8.812,917 3.765,918 8.125,919 16.153,921 12.859,924 2.625,925 63,929 129.482,930 133.136,931 57.007,933 75.892,935 31.278,936 101.858,937 205.374,938 57.007,939 14.495,940 17.888,941 66.334,942 67.454,943 28.252,944 1.358,945 148.989,946 50.747,947 129.482,948 158.865,949 75.892,950 31.278,952 129.482,953 25.145,954 50.747,956 49.207,957 78.155,958 31.503,959 31.278,960 129.482,961 132.899,962 133.136,965 129.482,966 48.93,967 89.876,968 17.888,969 109.34,970 129.482,971 132.899,972 133.136,973 0.582,974 0.336,975 0.181,976 0.1,977 17,978 8,979 0.105,980 4,981 1,982 1.133,983 3.645,984 187.639,985 0.133,986 15,987 108.039,989 1,993 16.217,994 6.851,995 3.656,996 1.475,997 127.229,998 12.028,999 4.385,1002 0.984,1003 1.82,1005 17.888,1006 395.517,1007 38,1010 -0.466,1013 33.624,1015 1.381,1016 3.87,1017 -0.362,1020 37,1021 40.202,1022 0.356,1023 0.729,1024 0.847,1025 0.953,1026 0.964,1027 0.964,1028 4.875,1029 1.26,1030 5.652,1031 3.031,1032 4.29,1033 4.987,1034 2.648,1035 6.447,1036 4.211,1037 6.109,1038 0.964,1039 7.204,1040 2.898,1041 3.892,1042 4.879,1043 2.361,1044 7.326,1045 3.776,1046 7.427,1047 0.685,1048 8.856,1049 2.354,1050 5.866,1051 7.26,1052 4.183,1053 10.417,1054 5.712,1055 8.783,1056 0.641,1057 10.567,1058 1.652,1059 6.275,1060 7.987,1061 4.506,1062 12.139,1063 6.086,1064 10.168,1065 -0.166,1066 12.316,1067 1.548,1068 7.73,1069 9.83,1070 5.953,1071 14.753,1072 7.518,1073 11.576,1074 -0.284,1075 14.093,1076 -0.412,1077 8.511,1078 10.949,1079 6.556,1080 16.836,1081 8.277,1082 13.002,1083 -0.567,1084 15.889,1085 -0.664,1086 9.76,1087 12.579,1088 7.795,1089 19.288,1090 9.51,1091 3.139,1092 -1,1093 17.701,1094 -1.547,1095 10.721,1096 13.89,1097 8.548,1098 21.533,1099 10.461,1100 2.851,1101 10.79,1102 19.525,1103 -2,1104 11.887,1105 15.431,1106 9.67,1107 23.93,1108 11.618,1109 2.43,1110 8.557,1111 21.36,1112 4.505,1113 12.933,1114 16.835,1115 10.509,1116 26.245,1117 12.661,1118 2.231,1119 7.424,1120 23.203,1121 4.026,1122 14.069,1123 18.342,1124 11.563,1125 28.625,1126 13.794,1127 2.156,1128 6.38,1129 25.053,1130 3.252,1131 15.157,1132 19.79,1133 12.452,1134 30.973,1135 14.882,1136 1.621,1137 5.945,1138 26.909,1139 3.178,1140 16.284,1141 21.286,1142 13.468,1143 33.348,1144 16.009,1145 1.4,1146 4.378,1147 28.771,1148 2.966,1149 17.393,1150 22.756,1151 14.386,1152 35.711,1153 17.12,1154 6468,1155 12544,1156 17.107,1157 26.08,1158 39.472,1159 41.244,1160 40.028,1161 38.73,1162 38.759,1163 55.297,1164 7.184,1165 109.916,1166 37.219,1167 5.368,1168 5.782,1169 6.364,1170 5.236,1171 5.139,1172 7.505,1173 4.612,1174 17.939,1175 5.117,1176 12.535,1177 1.518,1178 1.586,1179 1.54,1180 1.49,1181 1.491,1182 2.127,1183 0.276,1184 4.228,1185 1.431,1186 4.086,1187 4.111,1188 4.281,1189 4.018,1190 7.815,1191 4.021,1192 3.962,1193 3.97,1194 4.047,1195 3.932,1196 7.429,1197 3.866,1198 3.581,1199 3.626,1200 3.541,1201 3.453,1202 6.999,1203 3.452,1204 3.496,1205 3.545,1206 3.462,1207 3.185,1208 4.969,1209 3.236,1210 3.357,1211 3.389,1212 3.325,1213 3.025,1214 4.784,1215 3.091,1216 3.062,1217 3.129,1218 2.991,1219 2.778,1220 4.42,1221 2.838,1222 2.899,1223 2.976,1224 2.739,1225 2.754,1226 4.394,1227 2.741,1228 2.798,1229 2.845,1230 2.685,1231 2.581,1232 3.885,1233 2.605,1234 0.176,1235 0.145,1236 0.257,1237 0.159,1238 0.121,1239 4.579,1240 0.173,1241 3.782,1242 0.1,1243 6.682,1244 0.415,1245 4.132,1246 0.12,1247 3.139,1248 4.505,1249 2.612,1250 10.79,1251 3.117,1252 2.047,1253 2.025,1254 2.118,1255 2.131,1256 1.239,1257 2.128,1258 1.584,1259 1.548,1260 1.746,1261 1.916,1262 0.813,1263 1.807,1264 1.554,1265 1.539,1266 1.699,1267 1.753,1268 0.753,1269 1.735,1270 1.518,1271 1.491,1272 1.518,1273 1.66,1274 0.635,1275 1.682,1276 1.262,1277 1.218,1278 1.406,1279 1.487,1280 0.517,1281 1.48,1282 0.967,1283 0.897,1284 1.17,1285 1.253,1286 0.208,1287 1.256,1288 0.904,1289 0.837,1290 1.141,1291 1.109,1292 0.057,1293 1.128,1294 0.759,1295 0.732,1296 0.935,1297 1.032,1299 1.042,1300 3.97,1302 5.283,1303 2.398,1304 6.781,1305 4.595,1306 8.37,1307 6.581,1308 10.013,1310 1.817,1317 2.445,1326 25.524,1327 66.343,1328 135.711,1329 157.711,1330 177.362,1331 179.362,1332 179.362,1333 46.38,1334 6.95,1335 100.17,1336 128.41,1337 17,1338 12.296,1339 4.392,1340 3.7,1341 39.499,1342 91,1343 86,1344 0.21,1345 163.091,1346 278.06,1347 389.701,1348 9671,1350 17.104,1351 0.713,1352 0.559,1353 17.458,1354 13.41,1355 11.542,1356 0.444,1357 0.3,1358 6.952,1359 10.572,1360 6.711,1361 5.591,1362 11.95,1363 7.801,1364 10.54,1365 0.293,1366 0.168,1367 11.209,1368 6.054,1369 8.425,1370 0.183,1371 0.092,1372 9.285,1373 4.211,1374 6.923,1375 0.117,1376 0.049,1377 7.64,1378 2.914,1379 5.469,1380 0.078,1381 0.025,1382 5.972,1383 1.739,1384 0.334,1385 77.171,1386 0.242,1387 23.675,1388 0.561,1389 124,1390 451.335,1391 163.732,1392 455.882,1393 606.12,1394 420,1395 144,1396 428.66,1397 180.381,1398 443.796,1399 639.11,1400 415,1401 4.885}
{0 CHEMBL1596646,1 1.516,2 13.31,3 3.835,4 14.706,5 110.554,6 7.49,7 0.548,8 4.027,9 4.138,10 3.595,11 3.582,12 5.177,13 3.562,14 4.536,15 4.702,16 3.914,17 3.911,18 5.692,19 3.875,20 4.767,21 4.969,22 3.952,23 4.027,24 5.889,25 3.965,26 4.822,27 5.043,28 3.85,29 3.997,30 5.902,31 3.914,32 4.824,33 5.048,34 3.868,35 3.942,36 6.062,37 3.869,38 4.739,39 4.945,40 3.778,41 3.893,42 5.889,43 3.819,44 4.702,45 4.921,46 3.673,47 3.822,48 5.852,49 3.735,50 4.605,51 4.838,52 3.537,53 3.651,54 5.804,55 3.57,56 0.009,57 0.719,58 10,59 4.733,60 7.58,61 6.04,62 0.276,63 1.143,64 18.972,65 7.296,66 31.032,67 9.735,68 0.439,69 1.399,70 25.541,71 8.947,72 53.501,73 12.132,74 0.312,75 1.384,76 28.036,77 10.014,78 58.585,79 13.41,80 0.604,81 1.309,82 29.252,83 10.08,84 98.656,85 13.366,86 0.429,87 1.193,88 26.25,89 9.564,90 63.275,91 12.248,92 0.283,93 1.153,94 25.353,95 9.266,96 57.548,97 12.066,98 0.415,99 1.02,100 24.035,101 8.122,102 72.159,103 10.563,104 18,105 41,106 0.251,107 0.564,108 0.723,109 0.801,110 0.832,111 0.844,112 3.407,113 0.912,114 -3.48,115 -3.46,116 -3.3,120 44.2,121 2,126 2,128 1,136 2,143 9,144 1,146 1,147 3,159 2,174 10,176 2,177 8,185 9,188 3,189 10,197 4,201 8,209 3,213 4,214 8,222 7,226 2,227 6,235 7,240 8,247 6,251 2,252 7,260 5,263 2,264 4,271 4,274 1405,275 19.482,276 19.482,277 19.482,278 19.482,279 19.482,280 17.074,281 14.093,282 11.803,283 19.778,284 15.305,285 15.305,286 15.305,287 15.305,288 15.305,289 11.639,290 18.17,291 5.634,292 15.755,293 4.184,294 2.3,295 1.339,296 0.868,297 0.683,298 0.606,299 4.09,306 1,307 1,308 822,309 4.359,313 300.94,317 157.021,320 1.955,321 29.676,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 62.5,333 386,334 4.41,335 3.787,336 6.357,337 3.902,338 2.948,339 4.341,340 2.083,341 9.524,342 2.815,343 4.098,344 3.542,345 6.183,346 3.887,347 2.924,348 3.478,349 1.632,350 9.226,351 2.805,352 3.846,353 2.921,354 5.308,355 3.444,356 2.455,357 3.24,358 0.768,359 6.829,360 2.425,361 3.793,362 2.82,363 5.287,364 3.388,365 2.399,366 3.122,367 0.212,368 6.76,369 2.357,370 3.547,371 2.422,372 5.005,373 3.153,374 2.185,375 2.814,377 5.974,378 2.102,379 3.118,380 2.277,381 4.648,382 2.834,383 1.823,384 2.427,386 4.619,387 1.827,388 3.059,389 1.717,390 4.413,391 2.572,392 1.618,393 2.129,395 4.365,396 1.542,397 2.909,398 1.618,399 3.691,400 2.475,401 1.479,402 2.095,404 3.15,405 1.473,406 2.883,407 1.583,408 3.62,409 2.406,410 1.414,411 1.99,413 3.018,414 1.401,415 2.5,416 1.421,417 3.408,418 2,419 1,420 1.5,422 2.136,423 1,424 2.436,425 1.041,426 3.247,427 1.839,428 0.903,429 1.226,431 2.127,432 0.838,433 2.139,434 1,435 3.222,436 1.7,437 0.736,438 0.941,440 1.725,441 0.705,442 1.899,443 0.941,444 3.1,445 1.525,446 0.557,447 0.765,449 1.326,450 0.535,451 1.652,452 0.653,453 2.76,454 1.206,455 0.218,456 0.285,458 0.484,459 0.21,460 1.073,461 0.365,462 2.386,463 0.58,464 -0.397,465 -0.504,467 -0.95,468 -0.383,469 13.7,470 0.472,471 0.647,472 0.022,473 38.75,474 1.336,475 20.5,476 0.707,477 18.25,478 0.629,479 22.085,480 0.762,481 30.7,482 0.59,483 29.802,484 1.028,485 7.974,486 0.275,487 6.051,488 0.209,489 0.122,491 0.285,496 0.68,497 1.341,498 0.762,499 1.135,500 0.577,501 0.99,502 0.801,503 1.212,504 0.871,505 1.018,506 0.572,507 0.96,508 0.978,509 1.025,510 1.036,511 0.972,512 0.924,513 0.993,514 1.2,515 1.065,516 1.059,517 1.05,518 1.277,519 1.032,520 1.212,521 0.84,522 0.959,523 0.891,524 1.198,525 0.892,526 1.425,527 0.923,528 1.07,529 1.008,530 1.276,531 1.001,532 1.361,533 1.045,534 1.069,535 1.113,536 1.486,537 1.064,538 1.537,539 0.852,540 1.043,541 0.914,542 1.717,543 0.916,544 5.5,545 0.161,546 2.889,547 1.375,548 1.627,549 0.736,550 0.469,551 0.429,552 0.218,553 0.161,554 12111,555 31922,556 2.033,557 44.2,559 16,561 1,564 6,567 1.715,568 1.912,569 3.682,570 -0.785,572 1,575 78.829,576 1.516,577 3.4,578 4.361,579 4.833,580 5.018,581 5.094,582 3.095,583 4.582,584 4.834,585 3.867,586 1569.96,587 8.389,588 22800.7,590 1,592 1,593 296.423,594 1.358,595 4.792,596 0.177,597 0.007,598 0.07,599 0.034,600 0.045,601 0.02,602 0.014,603 0.015,604 0.009,605 0.007,606 0.398,607 0.33,608 1,609 0.729,610 151.283,611 -0.005,612 -0.212,613 0.051,614 -0.096,615 -0.048,616 -0.029,617 0.129,618 -0.12,619 0.041,620 -0.039,621 0.09,622 -0.019,623 0.038,624 0.045,625 -0.074,626 -0.024,627 -0.016,628 -0.056,629 -0.122,630 -0.086,631 -0.066,632 -0.08,633 -0.103,634 -0.064,635 0.126,636 0.093,637 0.083,638 0.076,639 0.17,640 0.073,641 -0.056,642 -0.003,643 -0.046,644 -0.02,645 -0.051,646 -0.033,647 -0.11,648 -0.133,649 -0.047,650 -0.126,651 -0.098,652 -0.083,653 -0.079,654 0.046,655 0.028,656 0.049,657 -0.081,658 0.049,659 2.267,660 5.516,661 0.552,662 29.567,663 1.002,664 1.121,665 2.252,666 5.07,667 0.673,668 3.466,669 3.738,670 3.932,671 4.111,672 4.304,673 4.205,674 4.248,675 4.29,676 4.29,677 4.043,678 7.829,679 0.644,680 389.49,681 3.466,682 4.977,683 5.79,684 6.632,685 7.462,686 8.306,687 9.143,688 9.987,689 10.827,690 11.672,691 5.8,698 1,701 2,708 2,709 10,710 2,714 2,716 17,738 52,739 20,740 2,741 31,743 54,744 23,745 14,746 3,747 9,748 3,752 3,753 4,759 2,766 1,768 18,769 5,772 3,778 2,780 2,782 2,786 1,789 23,790 6,792 6,797 3,803 0.667,804 3,813 1,823 3,827 1,839 1,841 1,845 2,855 2,859 2,862 29,869 2,872 1,874 1,875 1,886 5.8,889 2,891 1,893 15.167,894 9.933,895 6.5,896 3.093,898 3.555,899 1.501,900 0.951,901 6.965,902 10.645,903 3.773,904 4.317,905 4.844,906 5.357,907 5.928,908 6.079,909 6.451,910 6.825,911 7.146,912 6.847,913 0.889,914 41,915 10.73,917 4.439,918 7.839,919 20.198,921 15.847,924 2.339,925 67.833,927 1,928 1,929 270.735,930 159.761,931 36.695,933 61.29,936 159.761,937 332.025,938 36.695,939 17.65,940 9.822,941 104.239,942 107.528,943 30.278,945 258.964,947 270.735,948 196.457,949 61.29,952 200.109,953 131.916,956 43.565,957 100.368,958 52.524,960 270.735,961 97.985,962 159.761,965 270.735,966 28.825,967 134.061,969 94.861,970 270.735,971 97.985,972 159.761,973 0.571,974 0.322,975 0.167,976 0.093,977 17,978 8,979 0.148,980 8,981 1,982 1.125,983 4.18,984 232.498,985 0.125,986 16,987 134.881,993 20.537,994 9.835,995 5.889,996 1.525,997 97.985,998 18.771,999 8.698,1003 1.565,1006 528.482,1007 42.5,1013 24.524,1015 2.777,1017 -0.84,1020 52.123,1021 58.275,1022 0.266,1023 0.597,1024 0.765,1025 0.848,1026 0.88,1027 0.894,1028 4.972,1029 1.479,1030 5.746,1031 4.365,1032 4.419,1033 5.004,1034 2.709,1035 6.479,1036 4.36,1037 6.156,1038 1.414,1039 7.259,1040 3.15,1041 3.892,1042 4.649,1043 1.668,1044 7.239,1045 3.811,1046 7.431,1047 1,1048 8.871,1049 3.018,1050 5.938,1051 7.143,1052 3.75,1053 10.287,1054 5.807,1055 8.74,1056 0.903,1057 10.543,1058 2.136,1059 6.217,1060 7.616,1061 3.291,1062 11.888,1063 6.047,1064 10.079,1065 0.736,1066 12.254,1067 2.127,1068 7.721,1069 9.578,1070 4.974,1071 14.434,1072 7.51,1073 11.439,1074 0.557,1075 13.992,1076 1.725,1077 8.389,1078 10.49,1079 4.86,1080 16.391,1081 8.129,1082 12.817,1083 0.218,1084 15.75,1085 1.326,1086 9.655,1087 12.199,1088 6.28,1089 18.751,1090 9.358,1091 2.948,1092 -0.397,1093 17.524,1094 0.484,1095 10.522,1096 13.363,1097 6.396,1098 20.867,1099 10.17,1100 2.924,1101 9.524,1102 19.309,1103 -0.95,1104 11.678,1105 14.945,1106 7.635,1107 23.155,1108 11.289,1109 2.455,1110 9.226,1111 21.104,1112 4.341,1113 12.647,1114 16.251,1115 7.914,1116 25.34,1117 12.203,1118 2.399,1119 6.829,1120 22.907,1121 3.478,1122 13.754,1123 17.769,1124 9.021,1125 27.6,1126 13.27,1127 2.185,1128 6.76,1129 24.716,1130 3.24,1131 14.774,1132 19.152,1133 9.419,1134 29.816,1135 14.237,1136 1.823,1137 5.974,1138 26.53,1139 3.122,1140 15.86,1141 20.641,1142 10.431,1143 32.065,1144 15.281,1145 1.618,1146 4.619,1147 28.349,1148 2.814,1149 16.907,1150 22.064,1151 10.915,1152 34.295,1153 16.277,1154 11648,1155 19098,1156 20.572,1157 34.995,1158 46.191,1159 47.43,1160 46.44,1161 45.291,1162 45.317,1163 60.709,1164 9.391,1165 122.524,1166 44.072,1167 5.334,1168 5.787,1169 6.159,1170 4.973,1171 4.948,1172 7.341,1173 3.885,1174 15.846,1175 4.815,1176 13.917,1177 1.49,1178 1.53,1179 1.498,1180 1.461,1181 1.462,1182 1.958,1183 0.303,1184 3.952,1185 1.422,1186 4.052,1187 4.087,1188 4.016,1189 3.952,1190 7.437,1191 3.963,1192 3.934,1193 3.972,1194 3.861,1195 3.858,1196 7.424,1197 3.853,1198 3.736,1199 3.776,1200 3.663,1201 3.565,1202 5.073,1203 3.579,1204 3.64,1205 3.67,1206 3.556,1207 3.513,1208 4.753,1209 3.515,1210 3.436,1211 3.478,1212 3.327,1213 3.232,1214 4.482,1215 3.251,1216 3.278,1217 3.322,1218 3.169,1219 3.095,1220 4.377,1221 3.106,1222 3.099,1223 3.167,1224 2.939,1225 2.951,1226 4.234,1227 2.94,1228 2.953,1229 3.013,1230 2.865,1231 2.802,1232 4.151,1233 2.804,1234 0.142,1235 0.122,1236 0.205,1237 0.126,1238 0.095,1239 4.41,1240 0.14,1241 3.787,1242 0.067,1243 6.357,1244 0.307,1245 3.902,1246 0.091,1247 2.948,1248 4.341,1249 2.083,1250 9.524,1251 2.815,1252 1.997,1253 1.966,1254 2.073,1255 2.112,1256 1.218,1257 2.101,1258 1.918,1259 1.886,1260 2.05,1261 2.025,1262 1.13,1263 2.034,1264 1.682,1265 1.633,1266 1.912,1267 1.877,1268 1.065,1269 1.886,1270 1.614,1271 1.579,1272 1.754,1273 1.769,1274 0.794,1275 1.762,1276 1.377,1277 1.336,1278 1.596,1279 1.608,1280 0.733,1281 1.61,1282 1.22,1283 1.174,1284 1.428,1285 1.437,1286 0.606,1287 1.43,1288 1.102,1289 1.04,1290 1.417,1291 1.306,1292 0.469,1293 1.332,1294 0.934,1295 0.872,1296 1.353,1297 1.239,1298 0.346,1299 1.308,1300 4.143,1302 5.425,1304 6.895,1306 8.448,1308 10.046,1310 3.863,1315 0.162,1318 5.117,1320 -0.009,1321 1.682,1326 33.477,1327 78.829,1328 176.82,1329 226.774,1330 251.303,1331 260.913,1332 264.913,1333 58.009,1334 7.09,1335 72.39,1336 72.39,1337 18,1338 12.235,1339 4.392,1340 3.644,1341 52.798,1342 139,1343 117,1344 0.181,1345 209.384,1346 367.01,1347 502.658,1348 12431,1350 20.64,1351 0.712,1352 0.568,1353 20.64,1354 16.486,1355 14.025,1356 0.452,1357 0.304,1358 9.308,1359 13.529,1360 9.017,1361 7.557,1362 14.025,1363 9.427,1364 12.368,1365 0.302,1366 0.166,1367 12.368,1368 6.826,1369 9.748,1370 0.195,1371 0.087,1372 9.748,1373 4.335,1374 7.628,1375 0.127,1376 0.047,1377 7.628,1378 2.808,1379 6.213,1380 0.085,1381 0.025,1382 6.213,1383 1.818,1384 0.294,1385 87.612,1386 0.22,1387 28.305,1388 0.466,1389 144,1390 452.142,1391 158.604,1392 434.454,1393 584.52,1394 406,1395 163,1396 419.178,1397 177.192,1398 424.372,1399 612.48,1400 398,1401 4.638}
{0 CHEMBL1596771,1 1.777,2 7.238,3 2.229,4 4.967,5 77.563,6 10.024,7 0.522,8 3.546,9 3.625,10 3.346,11 3.188,12 4.879,13 3.199,14 4.005,15 4.092,16 3.778,17 3.585,18 5.377,19 3.584,20 4.254,21 4.362,22 3.953,23 3.679,24 5.721,25 3.695,26 4.309,27 4.418,28 3.979,29 3.519,30 6.192,31 3.575,32 4.111,33 4.239,34 3.621,35 3.357,36 5.704,37 3.385,38 3.966,39 4.054,40 3.674,41 3.271,42 5.735,43 3.299,44 3.73,45 3.848,46 3.177,47 3.107,48 5.163,49 3.06,50 3.582,51 3.748,52 3.034,53 2.973,54 4.865,55 2.845,56 0.12,57 0.402,58 2.594,59 2.202,60 20.279,61 2.058,62 0.264,63 0.622,64 4.841,65 3.743,66 28.601,67 3.896,68 0.337,69 0.757,70 9.997,71 5.285,72 61.563,73 5.281,74 0.788,75 0.783,76 14.3,77 5.304,78 148.751,79 4.711,80 0.519,81 0.646,82 10.922,83 4.344,84 88.235,85 3.308,86 0.55,87 0.5,88 9.578,89 4.009,90 96.989,91 2.985,92 0.32,93 0.419,94 5.974,95 3.265,96 63.246,97 2.726,98 0.215,99 0.373,100 7.059,101 3.01,102 32.345,103 3.281,104 26,105 34,106 0.332,107 0.57,108 0.68,109 0.832,110 0.903,111 0.903,112 3.105,113 0.843,114 -4.39,115 -4.32,116 -4.07,120 50,143 7,144 3,145 2,159 3,164 1,165 1,166 1,174 8,176 3,177 6,182 2,185 10,187 2,189 6,194 2,197 6,199 2,200 3,201 15,203 2,204 2,206 1,209 3,211 1,214 7,216 1,217 1,222 3,227 8,229 1,230 1,232 1,235 9,237 1,240 2,245 1,247 7,249 1,257 3,260 7,262 3,269 1,271 2,273 1,274 516,275 13.88,276 13.88,277 13.88,278 13.88,279 13.88,280 12.071,281 12.977,282 7.893,283 14.044,284 11.26,285 11.26,286 11.26,287 11.26,288 11.26,289 8.444,290 11.991,291 3.65,292 11.54,293 3.13,294 1.852,295 1.264,296 0.45,297 0.067,298 0.067,299 3.775,303 1,305 1,306 1,307 1,308 324,309 2.646,312 39.409,313 115.135,316 78.164,320 1.034,321 39.124,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 46.333,333 152,334 4.693,335 4.074,336 7.175,337 4.396,338 3.41,339 4.284,340 1.458,341 12.477,342 3.357,343 4.305,344 3.493,345 6.521,346 3.913,347 2.936,348 3.92,349 0.8,350 10.049,351 2.856,352 3.782,353 3.264,354 5.945,355 3.396,356 2.438,357 3.135,358 0.8,359 7.989,360 2.329,361 3.504,362 2.907,363 5.587,364 3.124,365 2.113,366 2.765,368 6.774,369 2.115,370 3.234,371 2.635,372 4.824,373 2.783,374 1.78,375 2.444,377 4.81,378 1.758,379 2.864,380 1.778,381 4.524,382 2.392,383 1.414,384 2.02,386 3.969,387 1.384,388 2.813,389 1.674,390 3.813,391 2.342,392 1.391,393 1.884,395 3.019,396 1.245,397 2.701,398 1.4,399 3.696,400 2.216,401 1.206,402 1.744,404 2.756,405 1.208,406 2.469,407 1.335,408 3.568,409 1.908,410 0.863,411 1.321,413 2.15,414 0.892,415 1.43,416 1.314,417 2.842,418 0.913,419 -0.101,420 -0.131,422 -0.239,423 -0.087,424 1.112,425 0.404,426 2.546,427 0.711,428 -0.268,429 -0.34,431 -0.602,432 -0.223,433 1.092,434 0.255,435 2.351,436 0.565,437 -0.387,438 -0.573,440 -0.869,441 -0.378,442 0.875,443 -0.27,444 2.168,445 0.418,446 -0.617,447 -0.881,449 -1.538,450 -0.634,451 0.63,452 -0.482,453 2,454 0.14,455 -0.85,456 -1.241,458 -2.015,459 -0.836,460 0.026,461 -0.899,462 1.743,463 -0.341,464 -1.335,465 -1.761,467 -3.387,468 -1.141,469 10.014,470 0.477,471 0.652,472 0.031,473 30.5,474 1.452,475 17,476 0.81,477 13.5,478 0.643,479 12.988,480 0.618,481 21.186,482 0.706,483 23.319,484 1.11,485 6.255,486 0.298,487 3.765,488 0.179,489 0.211,491 0.439,496 0.635,497 1.007,498 0.517,499 0.726,500 0.607,501 0.679,502 0.474,503 1.023,504 0.562,505 0.837,506 0.604,507 0.825,508 0.967,509 1.263,510 0.799,511 1.092,512 0.969,513 0.924,514 1.045,515 1.104,516 1.002,517 1.114,518 1.024,519 0.96,520 1.656,521 0.811,522 1.092,523 0.81,524 1.599,525 0.853,526 1.527,527 0.769,528 1.051,529 0.891,530 1.681,531 0.86,532 1.434,533 0.95,534 1.121,535 0.907,536 1.526,537 1.141,538 0.696,539 1.196,540 1.502,541 1.342,542 0.565,543 1.52,544 3.5,546 3.111,547 3.174,548 1.526,549 0.886,550 0.454,551 0.228,552 0.081,553 0.022,554 3698,555 13765,556 2.018,557 30,559 7,562 2,567 1.639,568 1.826,569 2.866,570 0.378,572 1,574 1,575 53.319,576 1.777,577 3.055,578 3.643,579 4.457,580 4.84,581 4.84,582 2.244,583 4.202,584 4.368,585 2.976,586 624.971,587 7.518,588 6360.16,589 1,590 1,592 1,593 147.207,594 1.545,595 4.289,596 0.152,598 0.092,599 0.084,600 0.044,601 0.034,602 0.019,603 0.014,604 0.007,605 0.007,606 0.453,607 0.33,608 1,609 0.702,610 91.807,611 -0.082,612 0.048,613 -0.012,614 0.073,615 -0.095,616 0.071,617 0.171,618 -0.006,619 0.047,620 0.003,621 -0.007,622 -0.023,623 -0.087,624 -0.305,625 0.057,626 -0.172,627 -0.083,628 -0.028,629 0.266,630 -0.088,631 0.021,632 -0.174,633 0.334,634 -0.092,635 -0.382,636 0.208,637 -0.176,638 0.137,639 -0.248,640 0.042,641 -0.107,642 0.131,643 0.022,644 0.106,645 -0.131,646 0.025,647 -0.371,648 -0.052,649 -0.251,650 0.07,651 -0.366,652 -0.194,653 -0.019,654 -0.272,655 -0.208,656 -0.308,657 -0.038,658 -0.431,659 2.425,660 5.427,661 0.714,662 12.163,663 1.035,664 1.108,665 3.156,666 9.96,667 0.743,668 3.178,669 3.555,670 3.912,671 4.22,672 4.382,673 4.419,674 4.477,675 4.522,676 4.454,677 4.277,678 4.528,679 0.737,680 300.71,681 3.178,682 4.745,683 5.638,684 6.555,685 7.466,686 8.39,687 9.308,688 10.235,689 11.157,690 12.087,691 6.7,695 1,698 1,709 7,714 5,716 12,728 1,737 1,738 30,739 15,740 2,741 23,743 32,744 15,745 12,746 5,747 7,748 3,752 3,753 4,754 1,768 15,772 3,778 3,782 3,785 1,786 1,789 9,790 5,791 2,792 6,793 1,797 2,800 1,803 0.667,804 3,822 1,823 2,826 1,855 2,860 1,862 21,863 1,875 1,885 1,886 10,889 3,893 11.5,894 5.51,895 4.583,896 1.658,898 2.394,899 1.352,900 1.013,901 3.184,902 9.187,903 3.497,904 4.111,905 4.732,906 5.305,907 5.734,908 5.852,909 6.144,910 6.347,911 6.592,912 6.637,913 0.8,914 38,915 7.831,917 3.593,918 8.283,919 13.981,921 11.582,924 2.783,925 58.444,929 82.398,930 96.262,931 36.022,932 39.149,933 75.435,936 96.262,937 196.981,938 36.022,940 3.124,941 99.231,942 89.549,943 15.814,945 82.398,946 39.149,947 82.398,948 132.283,949 75.435,950 39.149,952 82.398,953 75.435,956 3.124,957 129.159,958 39.149,960 82.398,961 111.456,962 135.41,965 82.398,966 29.928,967 69.458,969 147.481,970 82.398,971 111.456,972 135.41,973 0.597,974 0.379,975 0.215,976 0.107,977 18,978 9,979 0.031,980 1,981 1,982 1.133,983 3.133,984 171.503,985 0.133,986 15,987 92.239,993 13.649,994 4.899,995 1.994,997 111.456,998 10.756,1003 0.614,1005 32.897,1006 329.264,1007 32,1013 37.014,1017 -2.17,1020 31.044,1021 33.23,1022 0.362,1023 0.623,1024 0.742,1025 0.908,1026 0.986,1027 0.986,1028 4.754,1029 1.206,1030 5.666,1031 3.019,1032 4.234,1033 4.796,1034 2.044,1035 6.581,1036 4.192,1037 5.993,1038 0.863,1039 7.299,1040 2.756,1041 4.007,1042 4.705,1043 0.325,1044 7.7,1045 3.924,1046 7.329,1047 -0.101,1048 9.037,1049 2.15,1050 5.922,1051 7.004,1052 2.368,1053 10.885,1054 5.841,1055 8.704,1056 -0.268,1057 10.835,1058 -0.239,1059 6.524,1060 7.713,1061 1.148,1062 12.836,1063 6.41,1064 10.112,1065 -0.387,1066 12.67,1067 -0.602,1068 7.958,1069 9.518,1070 2.845,1071 15.563,1072 7.841,1073 11.546,1074 -0.617,1075 14.53,1076 -0.869,1077 8.918,1078 10.6,1079 2.107,1080 17.845,1081 8.776,1082 13,1083 -0.85,1084 16.41,1085 -1.538,1086 10.19,1087 12.204,1088 3.415,1089 20.425,1090 10.039,1091 3.41,1092 -1.335,1093 18.303,1094 -2.015,1095 11.297,1096 13.463,1097 3.033,1098 22.843,1099 11.128,1100 2.936,1101 12.477,1102 20.208,1103 -3.387,1104 12.519,1105 14.978,1106 4.045,1107 25.375,1108 12.338,1109 2.438,1110 10.049,1111 22.122,1112 4.284,1113 13.686,1114 16.324,1115 3.907,1116 27.85,1117 13.49,1118 2.113,1119 7.989,1120 24.043,1121 3.92,1122 14.896,1123 17.799,1124 4.714,1125 30.37,1126 14.687,1127 1.78,1128 6.774,1129 25.971,1130 3.135,1131 16.09,1132 19.189,1133 4.742,1134 32.869,1135 15.866,1136 1.414,1137 4.81,1138 27.903,1139 2.765,1140 17.3,1141 20.645,1142 5.409,1143 35.386,1144 17.063,1145 1.391,1146 3.969,1147 29.841,1148 2.444,1149 18.505,1150 22.059,1151 5.55,1152 37.897,1153 18.254,1154 3686,1155 7208,1156 14.74,1157 22.278,1158 35.767,1159 38.736,1160 38.089,1161 35.251,1162 35.103,1163 47.034,1164 6.117,1165 107.987,1166 34.288,1167 5.588,1168 6.074,1169 6.86,1170 5.413,1171 5.41,1172 7.284,1173 2.658,1174 20.243,1175 5.357,1176 11.71,1177 1.555,1178 1.684,1179 1.656,1180 1.533,1181 1.526,1182 2.045,1183 0.266,1184 4.695,1185 1.491,1186 4.044,1187 4.06,1188 4.061,1189 3.949,1190 7.461,1191 3.961,1192 3.888,1193 3.907,1194 3.946,1195 3.839,1196 7.412,1197 3.833,1198 3.471,1199 3.502,1200 3.445,1201 3.263,1202 7.408,1203 3.3,1204 3.109,1205 3.177,1206 3.289,1207 2.911,1208 5.09,1209 2.929,1210 3.064,1211 3.069,1212 3.037,1213 2.897,1214 4.914,1215 2.915,1216 2.878,1217 2.921,1218 3.005,1219 2.793,1220 4.46,1221 2.767,1222 2.783,1223 2.796,1224 2.687,1225 2.396,1226 4.338,1227 2.464,1228 2.548,1229 2.582,1230 2.518,1231 2.353,1232 3.735,1233 2.373,1234 0.204,1235 0.177,1236 0.312,1237 0.191,1238 0.148,1239 4.693,1240 0.186,1241 4.074,1242 0.063,1243 7.175,1244 0.542,1245 4.396,1246 0.146,1247 3.41,1248 4.284,1249 1.458,1250 12.477,1251 3.357,1252 1.897,1253 1.879,1254 1.979,1255 1.98,1256 1.086,1257 1.983,1258 1.89,1259 1.872,1260 1.975,1261 1.975,1262 1.075,1263 1.976,1264 1.391,1265 1.374,1266 1.437,1267 1.661,1268 0.424,1269 1.594,1270 1.017,1271 0.997,1272 1.244,1273 1.307,1274 0.211,1275 1.296,1276 1.001,1277 0.968,1278 1.134,1279 1.196,1280 0.199,1281 1.167,1282 0.869,1283 0.824,1284 1.115,1285 1.11,1286 0.147,1287 1.088,1288 0.819,1289 0.756,1290 0.973,1291 1.012,1293 1.039,1294 0.372,1295 0.318,1296 0.77,1297 0.696,1299 0.729,1300 3.85,1302 5.209,1303 2.398,1304 6.781,1305 4.949,1306 8.447,1307 7.222,1308 10.161,1311 5.941,1313 5.718,1321 0.572,1326 22.122,1327 53.319,1328 91.639,1329 109.291,1330 133.697,1331 145.207,1332 145.207,1333 53.979,1334 6.793,1335 82.16,1336 82.16,1337 17,1338 12.591,1339 4,1340 3.322,1341 31.915,1342 56,1343 53,1344 0.289,1345 140.039,1346 249,1347 333.455,1348 6732,1349 3.3,1350 15.146,1351 0.721,1352 0.544,1353 15.646,1354 11.425,1355 10.02,1356 0.436,1357 0.281,1358 6.038,1359 9.416,1360 5.903,1361 4.856,1362 10.308,1363 6.46,1364 9.23,1365 0.271,1366 0.144,1367 9.6,1368 4.908,1369 8.305,1370 0.169,1371 0.073,1372 8.664,1373 3.584,1374 7.394,1375 0.11,1376 0.037,1377 7.731,1378 2.468,1379 5.292,1380 0.067,1381 0.019,1382 5.487,1383 1.525,1384 0.428,1385 65.815,1386 0.26,1387 20.08,1388 0.879,1389 114,1390 400.367,1391 140.27,1392 415.606,1393 545.25,1394 382,1395 140,1396 369.842,1397 163.183,1398 383.829,1399 572.08,1400 361,1401 4.043}
{0 CHEMBL1597158,1 1.664,2 9,3 3.621,4 13.108,5 108.006,6 8.289,7 0.548,8 3.989,9 4.092,10 3.643,11 3.551,12 5.142,13 3.539,14 4.514,15 4.661,16 4.022,17 3.955,18 5.612,19 3.926,20 4.733,21 4.906,22 4.12,23 4.091,24 5.829,25 4.037,26 4.854,27 5.051,28 4.151,29 4.117,30 5.992,31 4.066,32 4.848,33 5.028,34 4.209,35 4.17,36 5.965,37 4.122,38 4.953,39 5.148,40 4.26,41 4.196,42 6.117,43 4.142,44 4.877,45 5.066,46 4.209,47 4.116,48 6.156,49 4.041,50 4.822,51 5.034,52 3.828,53 3.959,54 5.935,55 3.837,56 0.098,57 0.681,58 8.438,59 4.314,60 11.532,61 5.157,62 0.293,63 1.101,64 17.131,65 7.151,66 22.664,67 8.759,68 0.343,69 1.318,70 24.633,71 9.538,72 39.282,73 12.064,74 0.614,75 1.465,76 28.882,77 10.018,78 68.358,79 12.755,80 0.424,81 1.49,82 27.894,83 10.11,84 49.474,85 12.934,86 0.665,87 1.589,88 31.452,89 10.781,90 69.378,91 13.461,92 0.66,93 1.398,94 32.652,95 10.833,96 86.241,97 13.673,98 0.638,99 1.223,100 33.13,101 10.925,102 82.593,103 13.317,104 21,105 44,106 0.281,107 0.651,108 0.805,109 0.889,110 0.906,111 0.906,112 3.376,113 0.911,114 -4.09,115 -4.04,116 -3.82,120 43.8,122 1,125 1,126 2,128 1,143 8,144 3,145 2,147 1,153 1,159 1,170 1,174 8,176 1,177 6,182 3,185 12,189 4,192 2,194 3,197 9,200 3,201 7,204 1,206 4,209 7,214 9,218 1,219 5,222 8,226 1,227 8,230 1,232 3,235 7,240 9,243 2,245 4,247 11,251 1,252 3,257 2,260 8,264 3,269 2,271 6,274 1288,275 19.181,276 19.181,277 19.181,278 19.181,279 19.181,280 17.024,281 19.885,282 11.471,283 19.686,284 15.276,285 15.276,286 15.276,287 15.276,288 15.276,289 12.029,290 23.071,291 5.392,292 16.038,293 3.921,294 1.734,295 0.823,296 0.323,297 0.224,298 0.224,299 4.071,303 1,306 1,307 1,308 540,309 3,312 119.747,313 158.232,315 98.465,320 1.357,321 31.893,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60.833,333 252,334 4.725,335 3.926,336 7.264,337 4.436,338 3.461,339 4.371,340 1.375,341 12.956,342 3.374,343 4.245,344 3.236,345 6.507,346 3.899,347 2.926,348 3.795,349 0.941,350 10.101,351 2.845,352 4.027,353 3.062,354 6.032,355 3.604,356 2.634,357 3.618,358 0.86,359 8.469,360 2.554,361 3.627,362 2.84,363 5.756,364 3.254,365 2.301,366 2.93,367 0.114,368 7.411,369 2.195,370 3.452,371 2.525,372 5.229,373 3.071,374 2.141,375 2.698,377 6.27,378 1.938,379 3.034,380 2.232,381 4.886,382 2.739,383 1.793,384 2.177,386 5.112,387 1.673,388 2.865,389 1.996,390 4.536,391 2.471,392 1.55,393 2.017,395 4.077,396 1.431,397 2.814,398 1.759,399 3.882,400 2.396,401 1.414,402 1.909,404 3.209,405 1.375,406 2.693,407 1.502,408 3.734,409 2.383,410 1.414,411 1.722,413 3.033,414 1.327,415 2.595,416 1.454,417 3.604,418 2.137,419 1.151,420 1.629,422 2.634,423 1.121,424 2.46,425 1.188,426 3.579,427 2.034,428 1.072,429 1.446,431 2.564,432 1.026,433 2.226,434 1.018,435 3.47,436 1.748,437 0.788,438 1.044,440 1.86,441 0.744,442 1.775,443 0.938,444 3.175,445 1.562,446 0.612,447 0.711,449 1.287,450 0.578,451 1.243,452 0.454,453 2.641,454 0.954,455 -0.018,456 -0.021,458 -0.035,459 -0.017,460 1.082,461 0.207,462 2.532,463 0.728,464 -0.211,465 -0.261,467 -0.476,468 -0.195,469 13.414,470 0.479,471 0.645,472 0.023,473 36,474 1.286,475 18,476 0.643,477 18,478 0.643,479 23.851,480 0.852,481 29.786,482 0.621,483 28.607,484 1.022,485 7.323,486 0.262,487 6.29,488 0.225,489 0.14,491 0.365,496 0.769,497 1.138,498 0.624,499 0.932,500 0.696,501 0.862,502 0.959,503 1.097,504 0.73,505 0.842,506 0.654,507 0.844,508 0.835,509 1.157,510 0.889,511 1.052,512 0.846,513 0.994,514 1.017,515 0.95,516 0.821,517 0.82,518 1.178,519 0.854,520 0.881,521 1.189,522 0.888,523 1.049,524 0.974,525 0.995,526 1.15,527 0.988,528 0.886,529 0.858,530 1.226,531 0.907,532 0.891,533 1.06,534 1.065,535 1.161,536 0.922,537 1.107,538 1.41,539 0.904,540 1.263,541 1.057,542 1.589,543 1.127,544 4,545 0.062,546 3.111,547 2.667,548 1.909,549 1.335,550 1.008,551 0.453,552 0.295,553 0.164,554 8293,555 25286,556 2.094,557 41.7,559 16,562 2,565 2,567 1.722,568 1.953,569 3.124,570 0.247,572 1,575 79.891,576 1.664,577 3.851,578 4.762,579 5.262,580 5.361,581 5.361,582 2.652,583 4.736,584 4.772,585 3.281,586 1240.23,587 8.367,588 15696.5,590 1,592 1,593 268.078,594 1.432,595 4.736,596 0.129,597 0.006,598 0.071,599 0.057,600 0.04,601 0.026,602 0.02,603 0.011,604 0.01,605 0.008,606 0.378,607 0.33,608 1,609 1.26,610 136.459,611 -0.035,612 0.01,613 0.019,614 0.017,615 -0.063,616 0.03,617 -0.091,618 0.003,619 0.014,620 0.1,621 -0.021,622 0.066,624 -0.122,625 -0.013,626 -0.08,627 -0.001,628 -0.037,629 -0.018,630 0.094,631 0.024,632 0.112,633 -0.037,634 0.082,635 -0.026,636 -0.128,637 -0.03,638 -0.102,639 -0.04,640 -0.054,641 -0.079,642 0.06,643 0.001,644 0.069,645 -0.069,646 0.017,647 0.139,648 -0.071,649 -0.002,650 -0.175,651 0.217,652 -0.141,653 -0.199,654 -0.012,655 -0.178,656 -0.05,657 -0.24,658 -0.13,659 1.787,660 6.108,661 0.714,662 24.5,663 1.012,664 1.121,665 2.863,666 8.199,667 0.689,668 3.466,669 3.807,670 4.159,671 4.522,672 4.796,673 4.99,674 5.182,675 5.293,676 5.38,677 5.407,678 5.56,679 0.662,680 397.89,681 3.466,682 5.017,683 5.9,684 6.812,685 7.728,686 8.659,687 9.59,688 10.53,689 11.47,690 12.415,691 6.3,698 1,699 1,701 1,709 8,710 1,711 1,714 7,716 17,724 1,734 1,737 1,738 48,739 18,740 2,741 31,743 51,744 21,745 15,746 4,747 8,748 1,752 4,753 5,754 1,763 1,766 2,768 16,769 5,772 1,778 1,782 1,786 1,789 20,790 5,791 2,792 7,793 1,797 3,803 0.75,804 3,814 1,822 2,823 2,825 1,854 1,855 3,859 1,860 1,862 28,868 1,869 3,872 1,874 1,875 1,885 1,886 6.3,888 1,889 1,890 1,893 14.333,894 8.826,895 6.25,896 2.791,898 2.966,899 1.384,900 0.973,901 5.398,902 10.685,903 3.726,904 4.321,905 4.937,906 5.556,907 6.068,908 6.42,909 6.846,910 7.23,911 7.591,912 7.895,913 1,914 47,915 10.379,917 4.515,918 7.831,919 19.607,921 16.306,924 2.331,925 65.278,928 1,929 211.88,930 119.201,931 36.45,932 39.149,933 78.828,936 119.201,937 329.857,938 36.45,939 10.883,940 12.357,941 75.81,942 100.196,943 32.477,944 2.757,945 211.88,946 39.149,947 211.88,948 155.651,949 78.828,950 39.149,952 188.338,953 91.37,954 11,956 31.777,957 107.212,958 55.812,960 211.88,961 115.278,962 158.35,965 211.88,966 32.508,967 89.817,968 16.663,969 134.64,970 211.88,971 115.278,972 158.35,973 0.574,974 0.346,975 0.202,976 0.117,977 22,978 10,979 0.118,980 6,981 1,982 1.1,983 3.784,984 260.819,985 0.1,986 20,987 132.606,993 18.999,994 7.955,995 3.448,997 98.615,998 14.463,999 4.358,1000 2.88,1003 3.968,1005 59.346,1006 485.508,1007 40.5,1013 13.108,1017 -0.12,1020 48.563,1021 53.804,1022 0.298,1023 0.69,1024 0.853,1025 0.942,1026 0.96,1027 0.96,1028 4.972,1029 1.414,1030 5.894,1031 4.077,1032 4.489,1033 5.007,1034 1.998,1035 6.783,1036 4.408,1037 6.177,1038 1.414,1039 7.495,1040 3.209,1041 4.111,1042 4.783,1043 0.914,1044 7.856,1045 3.975,1046 7.492,1047 1.151,1048 9.206,1049 3.033,1050 6.133,1051 7.187,1052 2.122,1053 11.061,1054 5.999,1055 8.848,1056 1.072,1057 10.984,1058 2.634,1059 6.648,1060 7.833,1061 1.552,1062 13.031,1063 6.476,1064 10.244,1065 0.788,1066 12.806,1067 2.564,1068 8.134,1069 9.688,1070 2.424,1071 15.771,1072 7.956,1073 11.668,1074 0.612,1075 14.659,1076 1.86,1077 9.051,1078 10.739,1079 2.172,1080 18.095,1081 8.844,1082 13.114,1083 -0.018,1084 16.535,1085 1.287,1086 10.348,1087 12.367,1088 2.854,1089 20.697,1090 10.127,1091 3.461,1092 -0.211,1093 18.428,1094 -0.035,1095 11.442,1096 13.617,1097 2.807,1098 23.161,1099 11.194,1100 2.926,1101 12.956,1102 20.335,1103 -0.476,1104 12.679,1105 15.146,1106 3.367,1107 25.725,1108 12.412,1109 2.634,1110 10.101,1111 22.253,1112 4.371,1113 13.848,1114 16.496,1115 3.452,1116 28.244,1117 13.556,1118 2.301,1119 8.469,1120 24.18,1121 3.795,1122 15.072,1123 17.982,1124 3.931,1125 30.799,1126 14.757,1127 2.141,1128 7.411,1129 26.114,1130 3.618,1131 16.275,1132 19.384,1133 4.101,1134 33.341,1135 15.935,1136 1.793,1137 6.27,1138 28.056,1139 2.93,1140 17.498,1141 20.853,1142 4.524,1143 35.897,1144 17.135,1145 1.55,1146 5.112,1147 30.002,1148 2.698,1149 18.717,1150 22.284,1151 4.748,1152 38.448,1153 18.329,1154 8093,1155 14229,1156 20.69,1157 33.091,1158 47.11,1159 48.044,1160 49.507,1161 46.731,1162 46.511,1163 60.131,1164 6.58,1165 137.965,1166 44.359,1167 5.649,1168 5.926,1169 7.172,1170 5.49,1171 5.461,1172 7.371,1173 2.484,1174 20.744,1175 5.374,1176 13.531,1177 1.52,1178 1.55,1179 1.597,1180 1.507,1181 1.5,1182 1.94,1183 0.212,1184 4.45,1185 1.431,1186 4.11,1187 4.145,1188 4.1,1189 4.002,1190 7.428,1191 4.014,1192 3.883,1193 3.906,1194 3.942,1195 3.827,1196 6.469,1197 3.821,1198 3.782,1199 3.814,1200 3.761,1201 3.666,1202 4.988,1203 3.676,1204 3.624,1205 3.685,1206 3.484,1207 3.431,1208 4.911,1209 3.431,1210 3.303,1211 3.373,1212 3.325,1213 3.021,1214 4.631,1215 3.048,1216 3.083,1217 3.164,1218 3.173,1219 2.879,1220 4.58,1221 2.868,1222 2.987,1223 3.01,1224 2.907,1225 2.835,1226 4.333,1227 2.844,1228 2.937,1229 2.971,1230 2.846,1231 2.783,1232 4.021,1233 2.76,1234 0.152,1235 0.127,1236 0.234,1237 0.143,1238 0.112,1239 4.725,1240 0.141,1241 3.926,1242 0.044,1243 7.264,1244 0.418,1245 4.436,1246 0.109,1247 3.461,1248 4.371,1249 1.375,1250 12.956,1251 3.374,1252 1.934,1253 1.915,1254 2.022,1255 2.013,1256 1.256,1257 2.019,1258 1.876,1259 1.855,1260 1.978,1261 1.96,1262 1.149,1263 1.968,1264 1.646,1265 1.588,1266 1.882,1267 1.863,1268 1.066,1269 1.869,1270 1.483,1271 1.462,1272 1.591,1273 1.713,1274 0.783,1275 1.663,1276 1.351,1277 1.299,1278 1.552,1279 1.57,1280 0.641,1281 1.574,1282 1.183,1283 1.101,1284 1.441,1285 1.465,1286 0.526,1287 1.467,1288 1.048,1289 0.979,1290 1.266,1291 1.314,1292 0.329,1293 1.308,1294 0.883,1295 0.839,1296 1.147,1297 1.147,1298 0.289,1299 1.132,1300 4.143,1302 5.476,1303 3.045,1304 7.015,1305 5.533,1306 8.657,1307 7.751,1308 10.361,1310 1.642,1311 6.23,1314 10.33,1315 1.806,1318 5.152,1320 -0.341,1321 1.803,1326 31.777,1327 79.891,1328 184.859,1329 228.568,1330 252.568,1331 257.323,1332 257.323,1333 55.325,1334 7.719,1335 78.45,1336 78.45,1337 22,1338 12.909,1339 4.248,1340 3.392,1341 41.879,1342 88,1343 120,1344 0.23,1345 196.994,1346 340.54,1347 472.425,1348 21169,1349 2.1,1350 19.673,1351 0.703,1352 0.575,1353 20.173,1354 16.11,1355 13.613,1356 0.439,1357 0.304,1358 8.931,1359 12.788,1360 8.707,1361 7.178,1362 13.902,1363 9.413,1364 12.036,1365 0.274,1366 0.162,1367 12.444,1368 7.117,1369 10.502,1370 0.167,1371 0.082,1372 10.764,1373 5.17,1374 9.285,1375 0.102,1376 0.043,1377 9.539,1378 3.908,1379 7.623,1380 0.064,1381 0.023,1382 7.82,1383 2.709,1384 0.343,1385 88.663,1386 0.22,1387 25.911,1388 0.692,1389 150,1390 453.447,1391 178.241,1392 465.424,1393 623.59,1394 434,1395 182,1396 430.877,1397 206.064,1398 447.624,1399 661.36,1400 420,1401 4.224}
{0 CHEMBL1597245,1 1.503,2 9.5,3 2.687,4 7.219,5 76.39,6 8.1,7 0.571,8 3.584,9 3.677,10 3.197,11 3.187,12 4.872,13 3.176,14 3.995,15 4.106,16 3.494,17 3.504,18 5.419,19 3.467,20 4.248,21 4.426,22 3.456,23 3.563,24 5.49,25 3.5,26 4.224,27 4.427,28 3.327,29 3.402,30 5.482,31 3.343,32 4.078,33 4.27,34 3.286,35 3.246,36 5.463,37 3.214,38 3.964,39 4.144,40 3.123,41 3.119,42 5.337,43 3.098,44 3.826,45 4.006,46 3.067,47 3.039,48 5.449,49 3.002,50 3.673,51 3.85,52 2.808,53 3.021,54 4.877,55 2.938,56 0.058,57 0.41,58 5.452,59 2.903,60 9.596,61 3.283,62 0.186,63 0.617,64 8.698,65 4.522,66 29.456,67 5.449,68 0.185,69 0.789,70 13.703,71 5.853,72 28.578,73 7.179,74 0.243,75 0.747,76 14.847,77 5.701,78 43.643,79 6.985,80 0.289,81 0.639,82 12.833,83 4.775,84 39.531,85 5.826,86 0.259,87 0.563,88 11.471,89 4.045,90 47.36,91 4.479,92 0.351,93 0.485,94 9.952,95 3.691,96 71.79,97 4.464,98 0.14,99 0.421,100 7.907,101 3.423,102 24.913,103 4.093,104 11,105 27,106 0.277,107 0.524,108 0.688,109 0.836,110 0.885,111 0.885,112 3.056,113 0.861,114 -4.13,115 -4.07,116 -3.85,120 48.5,136 2,143 9,144 2,145 1,159 2,168 1,172 1,174 12,175 1,177 2,180 2,182 4,185 13,186 2,189 3,194 5,197 9,198 1,201 4,206 3,207 1,209 5,210 1,214 5,217 1,218 1,219 3,222 5,227 3,228 1,232 2,235 5,236 1,239 1,240 2,243 1,245 2,247 7,248 1,252 1,257 1,260 9,261 1,264 1,269 1,271 8,272 2,274 500,275 13.345,276 13.345,277 13.345,278 13.345,279 13.345,280 11.465,281 9.797,282 8.2,283 13.379,284 10.384,285 10.384,286 10.384,287 10.384,288 10.384,289 7.552,290 12.343,291 3.932,292 10.427,293 3.541,294 2.199,295 1.312,296 0.508,297 0.242,298 0.242,299 3.717,305 1,306 1,307 1,308 393,309 3.24,313 146.982,320 1.55,321 23.063,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 43.5,333 190,334 4.205,335 3.581,336 5.981,337 3.826,338 2.833,339 3.799,340 1.437,341 8.504,342 2.806,343 3.976,344 3.472,345 5.429,346 3.567,347 2.566,348 3.526,349 1.058,350 7.137,351 2.566,352 3.756,353 2.564,354 5.321,355 3.402,356 2.411,357 3.063,359 6.866,360 2.381,361 3.455,362 2.5,363 4.762,364 3.015,365 2,366 2.73,368 5.305,369 2.014,370 2.964,371 1.806,372 3.763,373 2.489,374 1.488,375 2.128,377 3.145,378 1.488,379 2.803,380 1.523,381 3.618,382 2.318,383 1.318,384 1.89,386 2.979,387 1.308,388 2.53,389 1.183,390 3.436,391 2.005,392 1,393 1.5,395 2.323,396 1,397 2.5,398 1,399 3.247,400 2,401 1,402 1.475,404 2.136,405 0.994,406 2.301,407 0.854,408 3.062,409 1.577,410 0.573,411 0.913,413 1.322,414 0.573,415 1.182,416 0.445,417 2.532,418 0.804,419 -0.186,420 -0.236,422 -0.477,423 -0.183,424 0.822,425 0.413,426 2,427 0.42,428 -0.605,429 -0.821,431 -1.333,432 -0.614,433 0.736,434 -0.359,435 1.915,436 0.267,437 -0.751,438 -0.992,440 -1.905,441 -0.741,442 0.5,443 -0.622,444 1.57,445 0.016,446 -1,447 -1.422,449 -2,450 -0.981,451 0.495,452 -0.766,453 1.555,455 -1,456 -1.445,458 -2.347,459 -1,460 0.407,461 -1,462 1.382,463 -0.019,464 -1,465 -1.5,467 -2.605,468 -1.009,469 9.4,470 0.47,471 0.438,472 0.022,473 28.75,474 1.438,475 17,476 0.85,477 11.75,478 0.588,479 10.543,480 0.527,481 20.6,482 0.624,483 20.094,484 1.005,485 6.176,486 0.309,487 3.472,488 0.174,489 0.106,491 0.266,496 0.738,497 0.969,498 0.748,499 0.87,500 0.685,501 0.817,502 0.407,503 1.19,504 0.848,505 1.14,506 0.44,507 1.102,508 0.858,509 1.134,510 1.033,511 1.109,512 0.817,513 1.102,514 1.1,515 1.082,516 1.024,517 1.037,518 1.072,519 1.016,520 1.079,521 0.989,522 0.918,523 0.956,524 1.177,525 0.916,526 1.629,527 0.945,528 1.165,529 0.889,530 1.643,531 0.912,532 0.901,533 0.816,534 0.916,535 0.824,536 0.885,537 0.858,538 0.992,539 0.87,540 1.141,541 0.972,542 1.005,543 1.068,544 4,545 0.066,546 1.556,547 0.938,548 0.813,549 0.444,550 0.346,551 0.146,552 0.058,553 0.102,554 3977,555 12980,556 1.995,557 39.4,559 11,562 2,567 1.612,568 1.875,569 3.261,570 0.311,572 1,574 1,575 49.604,576 1.503,577 2.845,578 3.733,579 4.537,580 4.802,581 4.802,582 2.709,583 3.284,584 4.296,585 3.408,586 647.537,587 7.311,588 6945.13,589 1,590 1,591 1,592 1,593 166.465,594 1.353,595 4.255,596 0.19,597 0.007,598 0.058,599 0.038,600 0.039,601 0.022,602 0.02,603 0.009,604 0.004,605 0.009,606 0.396,607 0.5,608 1,609 0.843,610 90.721,611 -0.09,612 0.074,613 -0.017,614 0.088,615 -0.114,616 0.061,617 0.251,618 -0.175,619 -0.074,620 -0.181,621 0.186,622 -0.2,623 -0.08,624 -0.135,625 -0.119,626 -0.149,627 -0.05,628 -0.141,629 -0.104,630 -0.11,631 -0.012,632 -0.074,633 -0.089,634 -0.033,635 0.062,636 -0.002,637 0.111,638 -0.005,639 -0.02,640 0.043,641 -0.285,642 0.054,643 -0.128,644 0.046,645 -0.259,646 0.008,647 0.301,648 0.159,649 0.107,650 0.136,651 0.383,652 0.097,653 -0.161,654 0.077,655 -0.216,656 0.018,657 -0.153,658 -0.084,659 2.694,660 4.722,661 0.6,662 15.5,663 1.012,664 1.11,665 2.897,666 8.39,667 0.695,668 3.091,669 3.332,670 3.466,671 3.611,672 3.761,673 3.584,674 3.611,675 3.466,676 3.466,677 3.401,678 5.806,679 0.677,680 267.3,681 3.091,682 4.575,683 5.361,684 6.184,685 6.987,686 7.812,687 8.621,688 9.445,689 10.258,690 11.081,691 3,698 1,709 9,714 3,716 12,725 1,738 33,739 15,740 2,741 21,743 34,744 16,745 12,746 3,747 9,748 4,752 2,753 2,768 16,772 3,778 2,780 2,782 2,785 1,786 1,789 13,790 4,791 2,792 4,797 1,803 1,804 3,823 2,838 1,845 2,853 1,855 2,862 20,868 1,871 1,886 9.1,888 1,889 2,893 10.667,894 5.7,895 4.528,896 1.765,898 2.742,899 1.448,900 0.94,901 4.56,902 8.86,903 3.434,904 3.951,905 4.431,906 4.9,907 5.396,908 5.336,909 5.627,910 5.661,911 5.906,912 6.006,913 1,914 25,915 7.343,917 3.045,918 8.142,919 13.448,921 10.363,924 2.642,925 52.833,929 129.482,930 118.981,931 18.011,933 92.973,936 118.981,937 222.455,938 18.011,940 18.011,941 104.239,942 98.588,943 9.128,945 129.482,947 129.482,948 136.992,949 92.973,952 129.482,953 92.973,956 18.011,957 100.029,958 18.952,960 129.482,961 110.984,962 118.981,965 129.482,966 14.742,967 104.239,968 18.011,969 92.973,970 129.482,971 110.984,972 118.981,973 0.565,974 0.308,975 0.155,976 0.086,977 11,978 5,979 0.118,980 4,982 1,983 3.332,984 133.742,986 12,987 82.439,993 13.876,994 6.572,995 4.264,997 110.984,998 15.537,1003 1.504,1005 60.694,1006 359.447,1007 30,1013 22.545,1015 3.096,1017 -1.336,1020 33.385,1021 36.618,1022 0.298,1023 0.564,1024 0.74,1025 0.899,1026 0.952,1027 0.952,1028 4.605,1029 1,1030 5.303,1031 2.323,1032 4.007,1033 4.635,1034 1.997,1035 5.984,1036 3.998,1037 5.788,1038 0.573,1039 6.783,1040 2.136,1041 3.434,1042 4.182,1044 6.613,1045 3.422,1046 7.053,1047 -0.186,1048 8.358,1049 1.322,1050 5.476,1051 6.714,1052 2.487,1053 9.618,1054 5.454,1055 8.348,1056 -0.605,1057 9.988,1058 -0.477,1059 5.673,1060 7.016,1062 11.043,1063 5.645,1064 9.669,1065 -0.751,1066 11.651,1067 -1.333,1068 7.191,1069 9.027,1070 3.063,1071 13.526,1072 7.153,1073 11.009,1074 -1,1075 13.339,1076 -1.905,1077 7.763,1078 9.714,1080 15.3,1081 7.718,1082 12.363,1083 -1,1084 15.042,1085 -2,1086 9.031,1087 11.459,1088 3.7,1089 17.573,1090 8.977,1091 2.833,1092 -1,1093 16.758,1094 -2.347,1095 9.805,1096 12.372,1098 19.521,1099 9.742,1100 2.566,1101 8.504,1102 18.483,1103 -2.605,1104 10.946,1105 13.96,1106 4.375,1107 21.704,1108 10.876,1109 2.411,1110 7.137,1111 20.215,1112 3.799,1113 11.831,1114 15.015,1116 23.74,1117 11.75,1118 2,1119 6.866,1120 21.953,1121 3.526,1122 12.909,1123 16.506,1124 5.073,1125 25.887,1126 12.821,1127 1.488,1128 5.305,1129 23.696,1130 3.063,1131 13.855,1132 17.654,1134 27.969,1135 13.757,1136 1.318,1137 3.145,1138 25.443,1139 2.73,1140 14.903,1141 19.084,1142 5.783,1143 30.104,1144 14.796,1145 1,1146 2.979,1147 27.194,1148 2.128,1149 15.884,1150 20.292,1152 32.209,1153 15.767,1154 3998,1155 7329,1156 13.811,1157 22.938,1158 31.269,1159 31.91,1160 30.951,1161 30.4,1162 30.378,1163 42.044,1164 4.99,1165 79.434,1166 30.262,1167 4.994,1168 5.581,1169 5.783,1170 4.826,1171 4.833,1172 6.799,1173 2.873,1174 14.396,1175 4.806,1176 9.488,1177 1.489,1178 1.52,1179 1.474,1180 1.448,1181 1.447,1182 2.002,1183 0.238,1184 3.783,1185 1.441,1186 3.963,1187 3.989,1188 3.908,1189 3.889,1190 7.475,1191 3.888,1192 3.894,1193 3.92,1194 3.831,1195 3.835,1196 7.43,1197 3.832,1198 3.548,1199 3.573,1200 3.49,1201 3.393,1202 6.351,1203 3.407,1204 3.278,1205 3.273,1206 3.224,1207 3.035,1208 4.784,1209 3.077,1210 3.037,1211 3.094,1212 2.929,1213 2.856,1214 4.708,1215 2.867,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.18,1221 2.715,1222 2.775,1223 2.821,1224 2.656,1225 2.638,1226 3.857,1227 2.635,1228 2.601,1229 2.656,1230 2.453,1231 2.327,1232 3.674,1233 2.363,1234 0.2,1235 0.171,1236 0.285,1237 0.182,1238 0.135,1239 4.205,1240 0.181,1241 3.581,1242 0.068,1243 5.981,1244 0.405,1245 3.826,1246 0.134,1247 2.833,1248 3.799,1249 1.437,1250 8.504,1251 2.806,1252 1.928,1253 1.903,1254 2.042,1255 2.023,1256 1.107,1257 2.026,1258 1.895,1259 1.872,1260 1.999,1261 1.978,1262 1.081,1263 1.989,1264 1.487,1265 1.458,1266 1.636,1267 1.672,1268 0.638,1269 1.654,1270 1.132,1271 1.127,1272 1.261,1273 1.424,1274 0.26,1275 1.363,1276 0.99,1277 0.938,1278 1.214,1279 1.22,1280 0.226,1281 1.223,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.76,1289 0.716,1290 1.013,1291 0.955,1292 0.074,1293 0.974,1294 0.516,1295 0.472,1296 0.832,1297 0.84,1299 0.855,1300 3.761,1302 5.017,1304 6.457,1306 7.973,1308 9.528,1314 8.869,1317 2.618,1326 22.327,1327 49.604,1328 93.882,1329 123.181,1330 149.71,1331 158.465,1332 158.465,1333 37.563,1334 6.118,1335 66.4,1336 66.4,1337 12,1338 11.661,1339 4,1340 3.322,1341 36.646,1342 70,1343 60,1344 0.256,1345 141.898,1346 252.45,1347 337.99,1348 3245,1350 14.372,1351 0.719,1352 0.531,1353 14.372,1354 10.615,1355 9.648,1356 0.459,1357 0.287,1358 5.965,1359 9.37,1360 5.841,1361 4.893,1362 9.648,1363 6.025,1364 8.459,1365 0.313,1366 0.153,1367 8.459,1368 4.119,1369 6.294,1370 0.203,1371 0.084,1372 6.294,1373 2.604,1374 4.835,1375 0.134,1376 0.046,1377 4.835,1378 1.65,1379 3.82,1380 0.091,1381 0.025,1382 3.82,1383 1.043,1384 0.408,1385 60.028,1386 0.269,1387 20.409,1388 0.678,1389 96,1390 325.954,1391 104.696,1392 317.321,1393 414.89,1394 292,1395 106,1396 287.557,1397 112.815,1398 293.518,1399 417.65,1400 275,1401 5.762}
{0 CHEMBL1597459,1 1.727,2 7.167,3 2.686,4 7.216,5 78.271,6 9.8,7 0.8,8 3.471,9 3.572,10 3.393,11 3.204,12 4.674,13 3.119,14 3.898,15 4.022,16 3.904,17 3.571,18 5.055,19 3.457,20 3.995,21 4.15,22 3.694,23 3.586,24 5.088,25 3.448,26 3.956,27 4.123,28 3.651,29 3.536,30 4.959,31 3.375,32 3.884,33 4.021,34 3.469,35 3.48,36 4.904,37 3.297,38 3.864,39 4.052,40 3.404,41 3.298,42 4.949,43 3.156,44 3.785,45 4.019,46 2.999,47 3.028,48 4.874,49 2.885,50 3.448,51 3.724,52 2.292,53 2.493,54 4.545,55 2.357,56 0.056,57 0.458,58 3.739,59 2.341,60 7.336,61 2.473,62 0.103,63 0.736,64 11.867,65 4.585,66 8.889,67 4.522,68 0.146,69 0.786,70 12.601,71 5.133,72 14.573,73 4.99,74 0.104,75 0.726,76 11.257,77 4.998,78 9.681,79 5.403,80 0.083,81 0.695,82 16.583,83 6.004,84 6.981,85 5.429,86 0.105,87 0.673,88 10.946,89 4.539,90 11.294,91 4.855,92 0.161,93 0.639,94 14.76,95 4.721,96 16.794,97 4.392,98 0.13,99 0.432,100 7.727,101 2.697,102 15.894,103 2.915,104 5,105 28,106 0.329,107 0.698,108 0.777,109 0.856,110 0.87,111 0.87,112 2.962,113 1.048,114 -3.52,115 -3.5,116 -3.34,120 42.9,121 1,143 5,144 1,145 1,147 2,163 2,164 1,165 1,166 1,167 1,174 4,177 7,179 1,180 1,182 1,185 9,187 1,189 3,191 1,192 1,197 4,201 4,206 1,209 9,211 1,214 3,222 5,226 1,227 5,232 2,235 4,237 2,239 1,240 4,245 1,247 1,249 1,252 1,254 1,255 1,257 3,262 3,269 1,273 1,274 362,275 12.171,276 12.171,277 12.171,278 12.171,279 12.171,280 10.213,281 9.081,282 7.231,283 12.769,284 9.915,285 9.915,286 9.915,287 9.915,288 9.915,289 7.03,290 7.97,291 3.489,292 10.951,293 3.08,294 1.142,295 0.727,296 0.313,297 0.241,298 0.241,299 3.639,306 1,307 1,308 280,309 2,312 41.537,313 79.676,317 68.394,320 0.963,321 10.232,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38,333 129,334 4.536,335 4.573,336 6.54,337 4.042,338 3.086,339 4.472,340 2.95,341 10.358,342 2.959,343 4.083,344 3.276,345 5.597,346 3.503,347 2.681,348 3.709,350 7.692,351 2.191,352 3.573,353 2.664,354 5.181,355 3.139,356 2.162,357 3.007,359 6.257,360 2.108,361 3.481,362 2.336,363 5.016,364 3.004,365 2.106,366 2.858,368 5.943,369 1.888,370 3.066,371 2.303,372 4.595,373 2.564,374 1.703,375 2.251,377 4.799,378 1.434,379 2.889,380 1.424,381 3.785,382 2.392,383 1.4,384 2.077,386 3.046,387 1.388,388 2.449,389 1.341,390 3.597,391 1.972,392 1.012,393 1.427,395 2.583,396 0.961,397 2.203,398 0.87,399 3.272,400 1.617,401 0.723,402 1.061,404 1.722,405 0.63,406 1.364,407 0.483,408 2.904,409 0.881,415 1.023,416 0.222,417 2.502,418 0.616,419 -0.308,420 -0.386,422 -0.775,423 -0.282,424 0.807,425 -0.041,426 2.331,427 0.323,428 -0.611,429 -0.826,431 -1.614,432 -0.562,433 0.472,434 -0.637,435 2,436 0.07,437 -0.819,438 -1.033,440 -1.965,441 -0.733,442 0.389,443 -0.659,444 1.608,445 -0.017,446 -1,447 -1.344,449 -2.439,450 -0.982,451 0.19,452 -0.895,453 1.544,454 -0.198,455 -1.124,456 -1.495,458 -3.086,459 -1.001,460 -0.145,461 -1.232,462 1.319,463 -0.696,464 -1.577,465 -2.125,467 -4.334,468 -1.261,469 9.267,470 0.515,471 0.452,472 0.025,473 26.25,474 1.458,475 15,476 0.833,477 11.25,478 0.625,479 12.171,480 0.676,481 17.733,482 0.633,483 14.527,484 0.807,485 4.936,486 0.274,487 3.785,488 0.21,489 0.097,491 0.324,496 0.841,497 0.819,498 0.697,499 0.664,500 1.117,501 0.683,502 0.479,503 1.112,504 0.599,505 0.884,506 0.524,507 0.77,508 1.063,509 0.874,510 1.114,511 0.994,512 0.908,513 0.937,514 0.757,515 0.94,516 0.925,517 0.973,518 0.665,519 0.986,520 0.969,521 1.257,522 1.745,523 1.627,524 0.725,525 1.326,526 0.852,527 1.212,528 0.95,529 1.092,530 0.781,531 1.123,532 1.468,533 1.142,534 1.298,535 1.177,536 1.328,537 1.104,538 1.51,539 0.957,540 0.83,541 0.811,542 1.532,543 1.138,544 4,546 1.556,547 1.444,548 0.827,549 0.483,550 0.258,551 0.225,552 0.057,553 0.016,554 2735,555 8553,556 2.12,557 35.7,559 5,562 2,563 3,567 1.59,568 2,569 2.85,570 0.483,572 1,574 1,575 48.367,576 1.727,577 3.665,578 4.08,579 4.495,580 4.566,581 4.566,582 2.177,583 3.461,584 4.145,585 2.941,586 450.019,587 7.048,588 4193.72,589 1,590 1,591 1,592 1,593 134.606,594 1.352,595 4.109,596 0.2,598 0.056,599 0.058,600 0.038,601 0.024,602 0.014,603 0.017,604 0.01,605 0.016,606 0.432,607 0.67,608 1,609 0.584,610 75.129,611 -0.001,612 0.184,613 0.04,614 0.143,615 -0.22,616 0.091,617 0.356,618 -0.134,619 0.355,620 0.075,621 0.218,622 0.114,623 -0.139,624 0.13,625 -0.119,626 -0.002,627 -0.104,628 -0.024,629 0.003,630 -0.019,631 0.057,632 0.02,633 -0.001,634 -0.01,635 -0.203,636 -0.271,637 -0.463,638 -0.414,639 -0.084,640 -0.329,641 0.105,642 -0.269,643 -0.029,644 -0.164,645 0.103,646 -0.169,647 -0.2,648 -0.119,649 -0.259,650 -0.181,651 -0.071,652 -0.111,653 -0.184,655 -0.11,656 -0.054,657 0.025,658 -0.164,659 1.174,660 1.594,661 0.833,662 10.111,663 1.008,664 1.11,665 2.291,666 5.248,667 0.772,668 3.045,669 3.367,670 3.611,671 3.912,672 4.078,673 4.094,674 4.159,675 4.248,676 4.234,677 3.989,678 4.398,679 0.716,680 274.4,681 3.045,682 4.575,683 5.416,684 6.297,685 7.157,686 8.042,687 8.909,688 9.795,689 10.665,690 11.551,691 14.3,695 1,701 3,708 2,709 5,710 3,713 1,714 4,716 16,728 1,738 28,739 16,740 1,741 20,743 30,744 12,745 11,746 2,747 4,752 3,753 4,759 1,768 11,769 1,786 1,789 10,790 4,791 2,792 6,793 2,797 4,803 0.667,816 1,822 1,823 2,827 1,855 2,856 1,857 2,859 1,862 18,863 1,873 1,893 9,894 5.433,895 3.889,896 1.532,898 3.131,899 1.482,900 1.029,901 3.08,902 9.626,903 3.367,904 4.039,905 4.653,906 5.296,907 5.787,908 6.071,909 6.464,910 6.886,911 7.239,912 7.182,913 0.8,914 25,915 6.579,917 2.755,918 7.648,919 12.599,921 10.236,924 2.148,925 38.667,926 0.001,929 94.169,930 129.229,931 83.009,935 63.497,936 65.732,937 94.169,938 83.009,939 8.825,941 80.278,942 50.112,943 9.525,945 157.666,947 94.169,948 148.741,950 63.497,952 94.169,956 14.227,957 84.402,958 50.112,959 63.497,960 94.169,961 83.009,962 129.229,965 94.169,966 73.023,967 56.206,969 83.009,970 94.169,971 83.009,972 129.229,973 0.582,974 0.33,975 0.19,976 0.102,977 15,978 6,979 0.067,980 2,981 1,982 1.133,983 3.071,984 131.782,985 0.133,986 15,987 75.059,989 2,993 11.724,994 4.729,995 2.44,996 2.124,997 83.009,998 10.143,999 12.371,1002 1.395,1003 3.471,1005 32.897,1006 306.407,1007 28,1020 28.211,1021 31.079,1022 0.359,1023 0.762,1024 0.849,1025 0.935,1026 0.95,1027 0.95,1028 4.575,1029 0.723,1030 5.398,1031 2.583,1032 4.043,1033 4.723,1034 2.913,1035 6.188,1036 3.867,1037 5.805,1039 6.936,1040 1.722,1041 3.611,1042 4.559,1044 7.002,1045 3.334,1046 7.119,1047 -0.308,1048 8.57,1050 5.609,1051 7.01,1052 5.027,1053 10.111,1054 5.284,1055 8.469,1056 -0.611,1057 10.261,1058 -0.775,1059 5.969,1060 7.68,1062 11.774,1063 5.556,1064 9.85,1065 -0.819,1066 11.99,1067 -1.614,1068 7.449,1069 9.583,1070 7.185,1071 14.392,1072 7.011,1073 11.252,1074 -1,1075 13.746,1076 -1.965,1077 8.196,1078 10.668,1080 16.434,1081 7.695,1082 12.673,1083 -1.124,1084 15.524,1085 -2.439,1086 9.457,1087 12.333,1088 9.348,1089 18.876,1090 8.935,1091 3.086,1092 -1.577,1093 17.318,1094 -3.086,1095 10.396,1096 13.628,1098 21.085,1099 9.829,1100 2.681,1101 10.358,1102 19.127,1103 -4.334,1104 11.565,1105 15.19,1106 11.511,1107 23.462,1108 10.977,1109 2.162,1110 7.692,1111 20.947,1112 4.472,1113 12.596,1114 16.587,1116 25.743,1117 11.973,1118 2.106,1119 6.257,1120 22.777,1121 3.709,1122 13.729,1123 18.106,1124 13.675,1125 28.095,1126 13.082,1127 1.703,1128 5.943,1129 24.615,1130 3.007,1131 14.804,1132 19.553,1134 30.407,1135 14.125,1136 1.4,1137 4.799,1138 26.459,1139 2.858,1140 15.925,1141 21.054,1142 15.838,1143 32.75,1144 15.219,1145 1.012,1146 3.046,1147 28.309,1148 2.251,1149 17.022,1150 22.525,1152 35.075,1153 16.284,1154 2668,1155 4863,1156 13.523,1157 21.602,1158 30.158,1159 32.259,1160 30.571,1161 29.825,1162 29.745,1163 41.725,1164 5.9,1165 84.798,1166 27.119,1167 5.312,1168 6.573,1169 6.221,1170 5.246,1171 5.086,1172 7.472,1173 5.9,1174 17.34,1175 4.959,1176 7.102,1177 1.508,1178 1.613,1179 1.529,1180 1.491,1181 1.487,1182 2.086,1183 0.295,1184 4.24,1185 1.356,1186 4.068,1187 4.091,1188 4.317,1189 4.028,1190 5.216,1191 4.013,1192 3.741,1193 3.775,1194 4.022,1195 3.724,1196 4.97,1197 3.624,1198 3.514,1199 3.566,1200 3.493,1201 3.425,1202 4.65,1203 3.41,1204 3.103,1205 3.16,1206 3.291,1207 3.03,1208 4.399,1209 2.982,1210 2.899,1211 2.977,1212 2.76,1213 2.754,1214 3.923,1215 2.741,1216 2.824,1217 2.95,1218 2.724,1219 2.594,1220 3.689,1221 2.554,1222 2.548,1223 2.623,1224 2.516,1225 2.379,1226 3.407,1227 2.364,1228 2.275,1229 2.347,1230 2.443,1231 2.072,1232 3.181,1233 2.024,1234 0.227,1235 0.229,1236 0.327,1237 0.202,1238 0.154,1239 4.536,1240 0.224,1241 4.573,1242 0.148,1243 6.54,1244 0.518,1245 4.042,1246 0.148,1247 3.086,1248 4.472,1249 2.95,1250 10.358,1251 2.959,1252 2.034,1253 2.014,1254 2.098,1255 2.106,1256 1.233,1257 2.111,1258 1.534,1259 1.495,1260 1.738,1261 1.664,1262 0.812,1263 1.693,1264 1.31,1265 1.312,1266 1.353,1267 1.556,1268 0.542,1269 1.532,1270 1.179,1271 1.115,1272 1.351,1273 1.316,1274 0.355,1275 1.367,1276 0.981,1277 0.921,1278 1.162,1279 1.179,1280 0.207,1281 1.188,1282 0.904,1283 0.837,1284 0.886,1285 1.089,1287 1.114,1288 0.567,1289 0.498,1290 0.862,1291 0.759,1293 0.8,1294 0.323,1295 0.167,1296 0.458,1297 0.656,1299 0.726,1300 3.714,1302 5.03,1303 2.398,1304 6.535,1305 4.595,1306 8.134,1307 6.529,1308 9.787,1310 1.991,1313 5.594,1319 1.577,1326 20.04,1327 48.367,1328 102.632,1329 114.241,1330 125.851,1331 127.851,1332 127.851,1333 18.39,1334 6.495,1335 64.69,1336 118.23,1337 17,1338 12.086,1339 4.087,1340 3.17,1341 25.624,1342 46,1343 48,1344 0.275,1345 132.646,1346 208.92,1347 315.415,1348 4897,1350 12.535,1351 0.696,1352 0.625,1353 13.242,1354 11.255,1355 8.72,1356 0.436,1357 0.349,1358 5.445,1359 7.655,1360 5.127,1361 4.282,1362 9.537,1363 6.987,1364 8.065,1365 0.288,1366 0.217,1367 9.561,1368 6.085,1369 6.423,1370 0.178,1371 0.119,1372 7.9,1373 4.287,1374 5.692,1375 0.116,1376 0.072,1377 7.472,1378 3.526,1379 4.381,1380 0.076,1381 0.041,1382 5.88,1383 2.363,1384 0.413,1385 62.092,1386 0.272,1387 17.777,1388 0.809,1389 96,1390 275.968,1391 161.628,1392 318.439,1393 443.8,1394 298,1395 112,1396 307.61,1397 159.36,1398 345.613,1399 504.4,1400 324,1401 4.834}
{0 CHEMBL1597561,1 1.574,2 10.962,3 3.853,4 14.842,5 102.852,6 8.757,7 0.393,8 3.958,9 4.056,10 3.663,11 3.518,12 5.024,13 3.486,14 4.531,15 4.689,16 4.079,17 3.903,18 5.591,19 3.853,20 4.741,21 4.927,22 4.189,23 4.024,24 5.825,25 3.935,26 4.777,27 4.966,28 4.233,29 3.982,30 5.91,31 3.891,32 4.776,33 4.996,34 3.922,35 3.893,36 5.925,37 3.811,38 4.756,39 4.969,40 3.809,41 3.899,42 5.777,43 3.787,44 4.689,45 4.92,46 3.896,47 3.793,48 5.788,49 3.672,50 4.521,51 4.766,52 3.777,53 3.632,54 5.596,55 3.528,56 0.031,57 0.624,58 8.105,59 4.793,60 6.8,61 5.845,62 0.319,63 1.034,64 19.836,65 8.174,66 30.369,67 10.017,68 0.521,69 1.231,70 31.092,71 10.202,72 46.732,73 12.379,74 0.434,75 1.237,76 39.162,77 11.061,78 50.036,79 13.318,80 0.561,81 1.205,82 32.602,83 10.282,84 81.147,85 12.9,86 0.525,87 1.15,88 35.828,89 10.708,90 62.865,91 12.886,92 0.534,93 1.087,94 30.718,95 9.926,96 61.959,97 12.638,98 0.482,99 0.899,100 27.04,101 8.344,102 58.985,103 10.47,104 26,105 39,106 0.269,107 0.589,108 0.795,109 0.857,110 0.886,111 0.886,112 3.304,113 1.017,114 -4.24,115 -4.18,116 -3.94,118 1,120 41.7,121 2,122 2,126 3,128 1,143 5,144 2,145 1,153 2,158 1,159 1,174 6,176 1,177 9,185 8,188 2,189 5,197 6,200 1,201 9,209 2,213 2,214 10,222 5,227 3,235 6,239 2,240 6,247 5,251 1,252 5,260 6,264 4,271 5,274 1016,275 17.259,276 17.259,277 17.259,278 17.259,279 17.259,280 15.544,281 16.526,282 10.126,283 17.703,284 13.757,285 13.757,286 13.757,287 13.757,288 13.757,289 11.124,290 14.563,291 4.767,292 14.496,293 4.011,294 2.14,295 0.94,296 0.573,297 0.406,298 0.406,299 3.977,306 1,307 1,308 606,309 3.536,312 161.756,313 100.307,320 1.737,321 30.596,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 56.25,333 285,334 4.56,335 3.748,336 6.758,337 4.172,338 3.204,339 4.276,340 1.797,341 10.936,342 3.112,343 4.31,344 3.619,345 6.386,346 3.908,347 2.951,348 3.916,349 1.338,350 9.621,351 2.798,352 3.791,353 3.175,354 5.883,355 3.545,356 2.583,357 3.061,358 0.86,359 8.008,360 2.478,361 3.476,362 2.893,363 5.306,364 3.303,365 2.343,366 2.648,368 6.742,369 2.231,370 3.396,371 2.84,372 4.922,373 2.943,374 2.012,375 2.491,377 5.365,378 1.829,379 3.026,380 2.096,381 4.804,382 2.677,383 1.692,384 2.168,386 4.744,387 1.661,388 2.862,389 1.749,390 4.279,391 2.375,392 1.414,393 2.016,395 3.752,396 1.353,397 2.698,398 1.701,399 3.82,400 2.339,401 1.403,402 1.73,404 3.068,405 1.211,406 2.559,407 1.652,408 3.578,409 2.119,410 1.157,411 1.519,413 2.706,414 1.1,415 2.179,416 1.339,417 3.472,418 1.995,419 1,420 1.158,422 2.453,423 0.986,424 1.693,425 1.314,426 3.005,427 1.516,428 0.618,429 0.618,431 1.372,432 0.548,433 1.618,434 0.963,435 3,436 1.324,437 0.371,438 0.431,440 0.851,441 0.341,442 1.279,443 0.692,444 2.739,445 1.103,446 0.121,447 0.139,449 0.286,450 0.116,451 1.092,452 0.44,453 2.369,454 0.559,455 -0.276,456 -0.351,458 -0.59,459 -0.157,460 0.635,461 0.278,462 2.218,463 0.263,464 -0.706,465 -0.756,467 -1.842,468 -0.68,469 13.067,470 0.503,471 0.703,472 0.027,473 29.25,474 1.125,475 13,476 0.5,477 16.25,478 0.625,479 25.95,480 0.998,481 28.333,482 0.59,483 20.301,484 0.781,485 5.629,486 0.216,487 6.84,488 0.263,489 0.23,491 0.337,496 0.697,497 1.319,498 0.508,499 0.985,500 0.553,501 0.966,502 0.947,503 1.096,504 0.568,505 0.821,506 0.59,507 0.855,508 1.07,509 0.955,510 0.881,511 0.881,512 0.862,513 0.947,514 0.955,515 1.263,516 1,517 1.239,518 1.112,519 1.153,520 1.105,521 0.892,522 0.555,523 0.817,524 1.055,525 0.874,526 1.379,527 0.897,528 0.791,529 0.879,530 1.279,531 0.964,532 0.87,533 0.994,534 0.516,535 0.895,536 1.055,537 0.964,538 1.09,539 0.713,540 0.549,541 0.588,542 1.481,543 0.647,544 5,545 0.103,546 3.556,547 2.611,548 1.387,549 0.733,550 0.594,551 0.357,552 0.248,553 0.209,554 8148,555 23138,556 2.014,557 45.8,559 12,563 6,564 4,567 1.689,568 1.857,569 3.413,570 -0.76,572 1,575 75.532,576 1.574,577 3.445,578 4.645,579 5.012,580 5.179,581 5.179,582 2.907,583 4.239,584 4.673,585 3.608,586 1172.67,587 8.087,588 14936,590 1,592 1,593 268.078,594 1.502,595 4.615,596 0.179,597 0.006,598 0.091,599 0.069,600 0.04,601 0.022,602 0.02,603 0.014,604 0.01,605 0.01,606 0.46,607 0.33,608 1,609 0.638,610 128.373,611 -0.012,612 -0.167,613 0.008,614 -0.069,615 -0.028,616 -0.019,617 0.014,618 -0.017,619 0.041,620 0.073,621 0.057,622 0.077,623 -0.037,624 0.103,625 -0.012,626 0.057,627 0.022,628 -0.009,629 0.056,630 -0.263,632 -0.259,633 0.025,634 -0.187,635 0.017,636 0.091,637 0.015,638 0.036,639 0.12,640 0.057,641 -0.211,642 0.041,643 -0.063,644 0.033,645 -0.143,646 -0.012,647 0.129,648 -0.055,649 0.083,650 -0.017,651 0.093,652 -0.001,653 0.022,654 0.208,655 0.126,656 0.301,657 -0.071,658 0.317,659 2.181,660 5.555,661 0.615,662 24.154,663 1.007,664 1.12,665 3.006,666 9.033,667 0.678,668 3.367,669 3.689,670 3.951,671 4.159,672 4.205,673 4.174,674 4.234,675 4.277,676 4.263,677 4.277,678 6.594,679 0.64,680 420.33,681 3.367,682 4.905,683 5.753,684 6.624,685 7.487,686 8.362,687 9.232,688 10.109,689 10.982,690 11.861,691 2.1,699 1,709 5,714 5,715 1,716 11,721 1,726 1,737 1,738 48,739 13,740 1,741 28,742 1,743 50,744 20,745 10,746 2,747 4,748 2,752 3,753 3,759 2,763 3,766 3,768 12,769 8,772 2,778 2,782 2,786 1,789 22,790 4,792 6,793 1,797 1,803 1,804 4,810 1,818 1,822 2,823 1,854 1,855 3,858 1,859 2,862 26,869 5,872 2,874 1,885 1,886 8.3,889 2,890 1,891 1,893 14,894 9.26,895 5.75,896 2.958,898 1.893,899 1.274,900 0.957,901 6.201,902 8.787,903 3.597,904 4.155,905 4.683,906 5.162,907 5.449,908 5.467,909 5.566,910 5.653,911 5.783,912 5.972,913 1,914 38,915 9.689,917 4.104,918 7.817,919 18.456,921 15.042,924 2.317,925 60.25,928 1,929 258.964,930 108.656,931 47.853,933 72.29,936 154.61,937 331.254,938 1.899,939 17.65,940 16.36,941 47.381,942 73.615,943 22.325,944 5.513,945 258.964,946 45.954,947 258.964,948 110.555,949 72.29,951 45.954,952 211.88,953 108.374,954 11,956 35.909,957 74.646,959 45.954,960 258.964,961 74.189,962 154.61,965 258.964,966 43.624,967 66.931,968 45.954,969 72.29,970 258.964,971 74.189,972 154.61,973 0.585,974 0.351,975 0.184,976 0.085,977 18,978 9,979 0.14,980 7,982 1,983 3.789,984 210.04,986 16,987 122.211,993 19.185,994 8.404,995 4.407,997 72.29,998 8.844,1003 3.551,1004 2.11,1006 487.763,1007 35.5,1013 24.718,1017 -0.712,1020 48.36,1021 53.745,1022 0.282,1023 0.617,1024 0.832,1025 0.897,1026 0.927,1027 0.927,1028 4.842,1029 1.403,1030 5.746,1031 3.752,1032 4.369,1033 4.84,1034 2.527,1035 6.561,1036 4.273,1037 6.041,1038 1.157,1039 7.318,1040 3.068,1041 4.007,1042 4.718,1044 7.493,1045 3.866,1046 7.349,1047 1,1048 8.993,1049 2.706,1050 5.969,1051 6.988,1052 3.38,1053 10.6,1054 5.796,1055 8.696,1056 0.618,1057 10.728,1058 2.453,1059 6.447,1060 7.719,1062 12.374,1063 6.234,1064 10.078,1065 0.371,1066 12.501,1067 1.372,1068 7.879,1069 9.484,1070 4.391,1071 14.998,1072 7.639,1073 11.484,1074 0.121,1075 14.302,1076 0.851,1077 8.726,1078 10.594,1080 17.109,1081 8.448,1082 12.911,1083 -0.276,1084 16.121,1085 0.286,1086 9.964,1087 12.168,1088 5.48,1089 19.57,1090 9.66,1091 3.204,1092 -0.706,1093 17.954,1094 -0.59,1095 10.974,1096 13.45,1098 21.826,1099 10.634,1100 2.951,1101 10.936,1102 19.799,1103 -1.842,1104 12.143,1105 14.945,1106 6.609,1107 24.228,1108 11.776,1109 2.583,1110 9.621,1111 21.653,1112 4.276,1113 13.224,1114 16.307,1116 26.548,1117 12.825,1118 2.343,1119 8.008,1120 23.514,1121 3.916,1122 14.37,1123 17.768,1124 7.758,1125 28.93,1126 13.944,1127 2.012,1128 6.742,1129 25.38,1130 3.061,1131 15.484,1132 19.167,1134 31.281,1135 15.029,1136 1.692,1137 5.365,1138 27.251,1139 2.648,1140 16.626,1141 20.614,1142 8.917,1143 33.658,1144 16.143,1145 1.414,1146 4.744,1147 29.127,1148 2.491,1149 17.756,1150 22.033,1152 36.024,1153 17.245,1154 7923,1155 13541,1156 18.205,1157 32.551,1158 41.929,1159 44.287,1160 43.567,1161 41.937,1162 41.739,1163 52.344,1164 7.99,1165 119.808,1166 39.529,1167 5.495,1168 5.748,1169 6.442,1170 5.238,1171 5.204,1172 7.276,1173 3.595,1174 18.186,1175 5.112,1176 14.183,1177 1.497,1178 1.582,1179 1.556,1180 1.498,1181 1.491,1182 1.869,1183 0.285,1184 4.279,1185 1.412,1186 4.056,1187 4.095,1188 6.88,1189 3.931,1190 7.436,1191 3.944,1192 3.913,1193 3.928,1194 4.006,1195 3.87,1196 7.423,1197 3.856,1198 3.776,1199 3.815,1200 3.773,1201 3.617,1202 4.763,1203 3.618,1204 3.496,1205 3.515,1206 3.655,1207 3.259,1208 4.719,1209 3.291,1210 3.213,1211 3.29,1212 3.411,1213 3.031,1214 4.582,1215 3.029,1216 3.17,1217 3.215,1218 3.138,1219 2.985,1220 4.343,1221 2.978,1222 3.075,1223 3.141,1224 2.951,1225 2.905,1226 3.863,1227 2.878,1228 2.87,1229 2.915,1230 2.859,1231 2.858,1232 3.78,1233 2.789,1234 0.163,1235 0.134,1236 0.241,1237 0.149,1238 0.114,1239 4.56,1240 0.153,1241 3.748,1242 0.064,1243 6.758,1244 0.391,1245 4.172,1246 0.111,1247 3.204,1248 4.276,1249 1.797,1250 10.936,1251 3.112,1252 1.893,1253 1.878,1254 1.967,1255 1.971,1256 1.282,1257 1.977,1258 1.745,1259 1.696,1260 1.928,1261 1.941,1262 1.08,1263 1.937,1264 1.673,1265 1.646,1266 1.819,1267 1.81,1268 1.056,1269 1.809,1270 1.542,1271 1.475,1272 1.803,1273 1.726,1274 0.96,1275 1.759,1276 1.336,1277 1.289,1278 1.616,1279 1.59,1280 0.811,1281 1.597,1282 1.282,1283 1.242,1284 1.557,1285 1.545,1286 0.68,1287 1.547,1288 1.048,1289 1.019,1290 1.247,1291 1.292,1292 0.438,1293 1.265,1294 0.873,1295 0.83,1296 1.228,1297 1.144,1298 0.322,1299 1.181,1300 4.043,1302 5.361,1303 3.045,1304 6.858,1305 5.352,1306 8.435,1307 7.391,1308 10.057,1309 3.314,1310 3.899,1315 3.414,1318 10.906,1320 0.205,1326 30.701,1327 75.532,1328 165.372,1329 222.959,1330 240.568,1331 248.568,1332 248.568,1333 55.571,1334 6.895,1335 57.53,1336 57.53,1337 16,1338 12.399,1339 3.807,1340 3.087,1341 44.473,1342 103,1343 88,1344 0.21,1345 194.638,1346 342.64,1347 466.678,1348 8696,1349 2.1,1350 18.681,1351 0.719,1352 0.636,1353 19.681,1354 16.544,1355 12.469,1356 0.445,1357 0.339,1358 8.628,1359 11.432,1360 8.316,1361 6.86,1362 13.047,1363 9.496,1364 11.244,1365 0.288,1366 0.189,1367 11.985,1368 7.364,1369 9.523,1370 0.187,1371 0.106,1372 10.24,1373 5.404,1374 7.627,1375 0.121,1376 0.059,1377 8.326,1378 3.716,1379 5.222,1380 0.079,1381 0.032,1382 5.58,1383 2.096,1384 0.333,1385 86.696,1386 0.234,1387 25.352,1388 0.566,1389 134,1390 427.242,1391 214.133,1392 435.137,1393 571.43,1394 406,1395 157,1396 377.527,1397 205.21,1398 391.11,1399 574.19,1400 367,1401 6.796}
{0 CHEMBL1597960,1 1.652,2 11.208,3 3,4 9,5 89.461,6 8.24,7 0.654,8 3.787,9 3.894,10 3.445,11 3.303,12 5.035,13 3.317,14 4.258,15 4.41,16 3.727,17 3.614,18 5.411,19 3.619,20 4.373,21 4.539,22 3.736,23 3.676,24 5.554,25 3.657,26 4.425,27 4.617,28 3.669,29 3.617,30 5.59,31 3.594,32 4.376,33 4.578,34 3.583,35 3.562,36 5.488,37 3.532,38 4.267,39 4.455,40 3.544,41 3.571,42 5.363,43 3.512,44 4.341,45 4.567,46 3.475,47 3.553,48 5.413,49 3.481,50 4.245,51 4.472,52 3.246,53 3.4,54 5.327,55 3.322,56 0.11,57 0.603,58 6.419,59 3.297,60 9.779,61 3.829,62 0.292,63 0.887,64 12.801,65 5.077,66 21.848,67 5.944,68 0.337,69 0.963,70 14.604,71 5.743,72 30.029,73 7.053,74 0.354,75 0.973,76 16.842,77 5.954,78 37.852,79 7.358,80 0.478,81 0.896,82 17.157,83 5.67,84 38.21,85 7.047,86 0.33,87 0.835,88 13.875,89 5.698,90 22.132,91 7.526,92 0.34,93 0.873,94 16.565,95 5.98,96 29.843,97 8.099,98 0.317,99 0.797,100 14.959,101 4.87,102 33.319,103 6.341,104 10,105 34,106 0.291,107 0.606,108 0.742,109 0.841,110 0.854,111 0.854,112 3.228,113 0.842,114 -3.96,115 -3.91,116 -3.71,120 43.6,125 1,126 2,143 8,144 2,145 2,150 1,159 1,167 3,174 9,176 3,177 5,185 8,188 2,189 12,197 4,200 2,201 10,209 1,213 3,214 4,222 4,226 4,227 3,235 7,239 2,240 4,247 7,252 4,260 4,263 1,264 6,271 1,274 838,275 16.74,276 16.74,277 16.74,278 16.74,279 16.74,280 14.527,281 15.77,282 10.218,283 17.144,284 12.768,285 12.768,286 12.768,287 12.768,288 12.768,289 9.4,290 18.522,291 4.717,292 13.336,293 3.633,294 1.837,295 1.064,296 0.5,297 0.43,298 0.43,299 3.913,305 1,306 1,307 1,308 573,309 2.828,312 73.097,313 170.875,320 1.976,321 19.53,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 52.5,333 269,334 4.38,335 4.049,336 6.296,337 3.972,338 3.01,339 4.067,340 2.433,341 9.601,342 2.896,343 4.098,344 3.242,345 6.017,346 3.681,347 2.739,348 3.674,349 1.151,350 8.653,351 2.577,352 3.889,353 2.902,354 5.34,355 3.49,356 2.501,357 3.44,358 0.86,359 6.966,360 2.473,361 3.636,362 2.753,363 5.288,364 3.223,365 2.255,366 2.91,368 6.731,369 2.174,370 3.365,371 2.395,372 4.438,373 2.579,374 1.655,375 2.134,377 4.344,378 1.531,379 2.97,380 2.15,381 4.209,382 2.444,383 1.473,384 2.055,386 3.739,387 1.421,388 2.877,389 1.636,390 3.635,391 2.375,392 1.414,393 2.008,395 3.125,396 1.352,397 2.718,398 1.528,399 3.294,400 2,401 1,402 1.559,404 2.136,405 1,406 2.5,407 1.095,408 3.247,409 1.929,410 0.974,411 1.5,413 1.894,414 0.927,415 2.193,416 1,417 3.188,418 1.677,419 0.73,420 1.036,422 1.571,423 0.685,424 1.954,425 0.94,426 3.055,427 1.588,428 0.649,429 0.843,431 1.501,432 0.606,433 1.583,434 0.902,435 2.793,436 1.299,437 0.426,438 0.479,440 0.69,441 0.368,442 1.194,443 0.673,444 2.533,445 0.703,446 -0.236,447 -0.29,449 -0.502,450 -0.219,451 1.014,452 0.137,453 2.2,454 0.459,455 -0.468,456 -0.711,458 -0.789,459 -0.433,460 0.655,461 -0.422,462 2.091,463 0.238,464 -0.726,465 -0.944,467 -1.583,468 -0.695,469 11.167,470 0.465,471 0.376,472 0.016,473 35,474 1.458,475 20,476 0.833,477 15,478 0.625,479 14.654,480 0.611,481 24.833,482 0.637,483 24.244,484 1.01,485 7.302,486 0.304,487 4.494,488 0.187,489 0.081,491 0.26,496 0.701,497 1.035,498 0.669,499 1.087,500 0.538,501 0.922,502 1.233,503 0.982,504 0.876,505 0.938,506 0.739,507 0.871,508 1.024,509 1.13,510 0.985,511 1.151,512 0.917,513 1.079,514 1.318,515 1.093,516 1.062,517 1.117,518 0.774,519 1.062,520 1.385,521 0.821,522 1.049,523 0.823,524 0.844,525 0.877,526 0.573,527 0.978,528 0.894,529 1.123,530 0.449,531 1.098,532 0.794,533 0.906,534 0.928,535 0.991,536 0.721,537 0.992,538 1.27,539 0.959,540 1.275,541 1.035,542 1.311,543 1.126,544 4,545 0.044,546 2.222,547 0.847,548 1.099,549 0.806,550 0.304,551 0.259,552 0.228,553 0.101,554 6723,555 20828,556 2.089,557 38.5,559 15,567 1.667,568 2,569 3.453,570 -0.699,571 1,572 1,574 1,575 64.431,576 1.652,577 3.448,578 4.221,579 4.785,580 4.856,581 4.856,582 2.98,583 4.168,584 4.55,585 3.599,586 993.357,587 7.844,588 11945.7,589 1,590 1,591 1,592 1,593 206.131,594 1.189,595 4.536,596 0.154,597 0.003,598 0.065,599 0.026,600 0.037,601 0.029,602 0.011,603 0.01,604 0.012,605 0.007,606 0.354,607 0.33,608 1,609 0.98,610 115.666,611 0.137,612 0.086,613 0.078,614 -0.093,615 0.07,616 -0.042,617 -0.093,618 0.047,619 0.013,620 0.039,621 -0.08,622 0.035,623 0.032,624 -0.128,625 -0.079,626 -0.168,627 -0.044,628 -0.145,629 -0.135,630 -0.132,631 -0.08,632 -0.149,633 0.053,634 -0.115,635 -0.099,636 0.114,637 -0.027,638 0.153,639 0.008,640 0.084,641 0.296,642 -0.029,643 0.037,644 -0.095,645 0.161,646 -0.09,647 0.091,648 0.01,649 0.076,650 0.022,651 0.046,652 0.043,653 -0.264,654 -0.005,655 -0.266,656 -0.072,657 -0.253,658 -0.145,659 1.442,660 2.656,661 0.708,662 24.076,663 1.015,664 1.128,665 2.727,666 7.437,667 0.686,668 3.296,669 3.555,670 3.807,671 4.025,672 4.19,673 4.234,674 4.317,675 4.382,676 4.477,677 4.454,678 6.439,679 0.671,680 321.37,681 3.296,682 4.796,683 5.624,684 6.472,685 7.319,686 8.176,687 9.03,688 9.891,689 10.75,690 11.613,691 12.8,699 1,700 1,701 3,709 8,710 3,714 5,715 1,716 17,735 2,738 39,739 18,740 2,741 26,743 41,744 17,745 13,746 4,747 8,752 3,753 3,767 1,768 13,769 3,785 1,786 1,789 15,790 6,792 7,797 5,803 1,804 2,822 1,823 2,833 1,855 3,859 1,862 24,869 2,872 2,877 1,882 1,884 1,886 5.1,891 2,893 12,894 7.5,895 5.556,896 2.134,898 3.075,899 1.446,900 0.957,901 5.049,902 9.973,903 3.624,904 4.163,905 4.717,906 5.273,907 5.715,908 5.931,909 6.306,910 6.623,911 6.998,912 7.235,913 0.875,914 33,915 8.751,917 3.558,918 7.826,919 16.419,921 12.657,924 2.326,925 55.833,929 176.567,930 129.179,931 82.58,933 22,936 129.179,937 198.566,938 82.58,939 10.883,940 6.698,941 75.81,942 66.468,943 73.899,945 176.567,947 176.567,948 211.759,949 22,952 178.894,953 22,956 39.411,957 120.153,958 49.867,960 176.567,961 104.58,962 129.179,965 176.567,966 25.884,967 88.347,968 16.602,969 102.926,970 176.567,971 104.58,972 129.179,973 0.556,974 0.328,975 0.18,976 0.095,977 15,978 6,979 0.146,980 6,982 1,983 3.737,984 184.404,986 17,987 106.039,993 15.979,994 7.584,995 3.911,997 102.926,998 15.319,999 11.9,1003 3.459,1004 1.238,1006 410.325,1007 36.5,1020 39.582,1021 43.986,1022 0.313,1023 0.652,1024 0.799,1025 0.905,1026 0.919,1027 0.919,1028 4.822,1029 1,1030 5.565,1031 3.125,1032 4.234,1033 4.848,1034 2.831,1035 6.312,1036 4.152,1037 6.012,1038 0.974,1039 7.077,1040 2.136,1041 3.611,1042 4.407,1044 7.081,1045 3.492,1046 7.294,1047 0.73,1048 8.69,1049 1.894,1050 5.759,1051 6.989,1052 4.327,1053 10.145,1054 5.603,1055 8.611,1056 0.649,1057 10.364,1058 1.571,1059 6.019,1060 7.43,1062 11.762,1063 5.811,1064 9.957,1065 0.426,1066 12.076,1067 1.501,1068 7.555,1069 9.393,1070 6.044,1071 14.297,1072 7.324,1073 11.325,1074 -0.236,1075 13.815,1076 0.69,1077 8.227,1078 10.259,1080 16.255,1081 7.937,1082 12.708,1083 -0.468,1084 15.572,1085 -0.502,1086 9.502,1087 11.94,1088 7.81,1089 18.606,1090 9.19,1091 3.01,1092 -0.726,1093 17.342,1094 -0.789,1095 10.376,1096 13.03,1098 20.715,1099 10.007,1100 2.739,1101 9.601,1102 19.122,1103 -1.583,1104 11.537,1105 14.569,1106 9.585,1107 22.997,1108 11.141,1109 2.501,1110 8.653,1111 20.91,1112 4.067,1113 12.513,1114 15.784,1116 25.176,1117 12.063,1118 2.255,1119 6.966,1120 22.704,1121 3.674,1122 13.623,1123 17.249,1124 11.363,1125 27.433,1126 13.143,1127 1.655,1128 6.731,1129 24.503,1130 3.44,1131 14.651,1132 18.536,1134 29.647,1135 14.122,1136 1.473,1137 4.344,1138 26.307,1139 2.91,1140 15.742,1141 19.962,1142 13.142,1143 31.895,1144 15.179,1145 1.414,1146 3.739,1147 28.113,1148 2.134,1149 16.797,1150 21.291,1152 34.126,1153 16.189,1154 6546,1155 11686,1156 17.682,1157 26.745,1158 38.632,1159 40.928,1160 38.831,1161 37.623,1162 37.652,1163 51.413,1164 8.888,1165 101.899,1166 36.02,1167 5.212,1168 6.049,1169 6.098,1170 5.028,1171 5.01,1172 7.067,1173 4.866,1174 16.093,1175 4.896,1176 9.088,1177 1.486,1178 1.574,1179 1.494,1180 1.447,1181 1.448,1182 1.977,1183 0.342,1184 3.919,1185 1.385,1186 4.002,1187 4.045,1188 3.969,1189 3.89,1190 6.818,1191 3.898,1192 3.892,1193 3.931,1194 3.826,1195 3.818,1196 5.193,1197 3.815,1198 3.745,1199 3.8,1200 3.706,1201 3.466,1202 4.904,1203 3.522,1204 3.333,1205 3.389,1206 3.278,1207 3.128,1208 4.74,1209 3.157,1210 3.24,1211 3.301,1212 3.077,1213 3.002,1214 4.433,1215 3.01,1216 3.174,1217 3.236,1218 3.042,1219 2.94,1220 4.216,1221 2.951,1222 2.854,1223 2.925,1224 2.697,1225 2.735,1226 3.754,1227 2.715,1228 2.797,1229 2.863,1230 2.687,1231 2.648,1232 3.674,1233 2.645,1234 0.168,1235 0.156,1236 0.242,1237 0.153,1238 0.116,1239 4.38,1240 0.156,1241 4.049,1242 0.094,1243 6.296,1244 0.369,1245 3.972,1246 0.111,1247 3.01,1248 4.067,1249 2.433,1250 9.601,1251 2.896,1252 1.919,1253 1.899,1254 2.038,1255 2.022,1256 1.142,1257 2.023,1258 1.868,1259 1.846,1260 1.959,1261 1.955,1262 1.072,1263 1.961,1264 1.514,1265 1.438,1266 1.67,1267 1.814,1268 0.763,1269 1.769,1270 1.245,1271 1.204,1272 1.573,1273 1.533,1274 0.61,1275 1.54,1276 1.189,1277 1.124,1278 1.453,1279 1.456,1280 0.576,1281 1.448,1282 1.048,1283 0.987,1284 1.181,1285 1.279,1286 0.227,1287 1.252,1288 0.886,1289 0.821,1290 1.173,1291 1.192,1292 0.218,1293 1.107,1294 0.794,1295 0.722,1296 1.042,1297 1.062,1298 0.118,1299 1.105,1300 3.97,1302 5.242,1303 2.398,1304 6.711,1305 4.595,1306 8.267,1307 6.581,1308 9.869,1310 1.578,1315 0.509,1318 11.209,1324 8.656,1325 1.966,1326 26.171,1327 64.431,1328 134.479,1329 164.621,1330 186.621,1331 189.376,1332 189.376,1333 32.422,1334 6.899,1335 85.85,1336 85.85,1337 17,1338 12.162,1339 4.248,1340 3.524,1341 39.394,1342 92,1343 98,1344 0.21,1345 164.35,1346 279.06,1347 392.774,1348 8562,1350 16.778,1351 0.699,1352 0.545,1353 16.778,1354 13.086,1355 11.796,1356 0.454,1357 0.281,1358 7.15,1359 11.185,1360 6.977,1361 5.835,1362 11.796,1363 7.298,1364 9.811,1365 0.289,1366 0.145,1367 9.811,1368 4.941,1369 8.321,1370 0.189,1371 0.076,1372 8.321,1373 3.324,1374 6.809,1375 0.124,1376 0.039,1377 6.809,1378 2.15,1379 5.19,1380 0.08,1381 0.021,1382 5.19,1383 1.381,1384 0.333,1385 75.084,1386 0.238,1387 23.813,1388 0.566,1389 120,1390 415.697,1391 134.859,1392 398.954,1393 542.55,1394 374,1395 138,1396 401.865,1397 154.662,1398 403.85,1399 578.03,1400 376,1401 4.042}
{0 CHEMBL1598116,1 1.752,2 12.893,3 3.648,4 13.309,5 114.546,6 9.012,7 0.4,8 3.933,9 4.018,10 3.69,11 3.551,12 5.152,13 3.512,14 4.412,15 4.536,16 4.135,17 3.922,18 5.634,19 3.854,20 4.624,21 4.776,22 4.1,23 4.006,24 5.849,25 3.924,26 4.656,27 4.833,28 4.011,29 3.973,30 5.898,31 3.844,32 4.571,33 4.745,34 3.937,35 3.908,36 5.784,37 3.779,38 4.493,39 4.656,40 4.056,41 3.782,42 5.996,43 3.705,44 4.367,45 4.53,46 3.78,47 3.725,48 5.56,49 3.603,50 4.318,51 4.491,52 3.821,53 3.714,54 5.55,55 3.581,56 0.096,57 0.616,58 7.069,59 4.234,60 12.139,61 4.5,62 0.31,63 1.023,64 17.979,65 7.445,66 23.474,67 7.683,68 0.401,69 1.206,70 21.616,71 9.29,72 50.565,73 9.554,74 0.535,75 1.26,76 27.728,77 10.656,78 69.88,79 11.039,80 0.383,81 1.168,82 28.69,83 10.531,84 58.504,85 10.551,86 0.578,87 1.075,88 24.203,89 8.575,90 99.454,91 8.834,92 0.356,93 0.952,94 21.635,95 8.101,96 53.469,97 7.883,98 0.42,99 0.895,100 19.336,101 7.787,102 43.862,103 8.352,104 27,105 41,106 0.299,107 0.66,108 0.796,109 0.871,110 0.881,111 0.881,112 3.374,113 0.967,114 -3.17,115 -3.16,116 -3.04,120 43.5,122 1,125 1,126 1,136 1,139 1,143 8,144 1,145 3,159 2,160 1,174 7,176 1,177 5,180 1,182 5,185 10,189 5,194 2,197 6,200 1,201 6,204 1,205 1,206 2,209 5,214 6,222 4,226 1,227 8,230 2,232 2,235 2,240 3,245 1,247 2,251 2,252 4,255 1,257 1,260 4,264 3,269 2,271 3,274 1364,275 18.679,276 18.679,277 18.679,278 18.679,279 18.679,280 16.62,281 20.452,282 10.99,283 19.284,284 14.722,285 14.722,286 14.722,287 14.722,288 14.722,289 11.443,290 23.636,291 5.17,292 15.636,293 3.772,294 1.656,295 0.859,296 0.424,297 0.364,298 0.364,299 4.053,306 1,307 1,308 761,309 3.464,312 88.836,313 213.353,320 2.265,321 35.225,324 1,325 1,326 1,327 0.6,329 0.83,330 1,331 0.78,332 61,333 361,334 4.403,335 4.908,336 6.648,337 4.063,338 3.148,339 3.814,340 4.506,341 10.558,342 2.894,343 4.072,344 3.688,345 5.608,346 3.678,347 2.705,348 3.661,349 1.907,350 7.694,351 2.627,352 4.032,353 3.594,354 5.578,355 3.616,356 2.645,357 3.547,358 1.192,359 7.56,360 2.566,361 3.652,362 3.295,363 5.356,364 3.303,365 2.318,366 2.901,367 0.86,368 6.723,369 2.282,370 3.584,371 2.854,372 5.045,373 3.175,374 2.23,375 2.837,376 0.553,377 6.054,378 2.091,379 3.302,380 2.767,381 5.009,382 2.85,383 1.908,384 2.473,385 0.149,386 5.742,387 1.787,388 3.191,389 2.325,390 4.647,391 2.765,392 1.815,393 2.395,395 4.897,396 1.692,397 2.931,398 2.182,399 4.566,400 2.432,401 1.578,402 1.933,404 4.493,405 1.299,406 2.66,407 1.959,408 3.489,409 2.179,410 1.187,411 1.732,413 2.599,414 1.175,415 2.5,416 1.69,417 3.416,418 2,419 1,420 1.5,422 2.275,423 1,424 2.191,425 1.247,426 3.414,427 1.788,428 0.801,429 0.984,431 1.909,432 0.777,433 1.711,434 1.123,435 3.032,436 1.439,437 0.563,438 0.621,440 0.964,441 0.486,442 1.323,443 1,444 2.72,445 1.016,446 0.059,447 0.072,449 0.138,450 0.056,451 1.202,452 0.971,453 2.576,454 0.792,455 -0.153,456 -0.189,458 -0.358,459 -0.138,460 1.176,461 0.429,462 2.297,463 0.666,464 -0.314,465 -0.425,467 -0.696,468 -0.3,469 13.8,470 0.493,471 0.715,472 0.026,473 36.5,474 1.304,475 19,476 0.679,477 17.5,478 0.625,479 22.079,480 0.789,481 29.4,482 0.639,483 27.937,484 0.998,485 7.387,486 0.264,487 6.07,488 0.217,489 0.169,491 0.319,496 0.808,497 1.078,498 0.645,499 0.799,500 0.667,501 0.817,502 0.792,503 1.057,504 0.64,505 0.814,506 0.594,507 0.859,508 1.136,509 1.008,510 0.898,511 0.915,512 1.109,513 0.983,514 0.998,515 0.965,516 1.123,517 1.059,518 1.122,519 1.08,520 1.065,521 1.106,522 1.309,523 1.199,524 1.248,525 1.055,526 0.879,527 1.133,528 0.906,529 1.061,530 0.975,531 0.91,532 1.172,533 1.068,534 1.26,535 1.136,536 1.305,537 1.073,538 0.711,539 0.852,540 0.987,541 0.916,542 0.841,543 0.903,544 6.5,545 0.131,546 2.889,547 2.389,548 1.294,549 0.959,550 0.627,551 0.336,552 0.349,553 0.244,554 10515,555 35017,556 2.013,557 39.1,559 14,562 2,563 2,567 1.706,568 1.867,569 3.619,570 0.282,572 1,575 80.587,576 1.752,577 3.867,578 4.665,579 5.099,580 5.159,581 5.159,582 3.115,583 4.522,584 4.776,585 3.826,586 1446.14,587 8.285,588 20032.3,590 1,592 1,593 254.084,594 1.47,595 4.727,596 0.217,597 0.006,598 0.07,599 0.06,600 0.038,601 0.029,602 0.018,603 0.012,604 0.012,605 0.009,606 0.472,607 0.33,608 1,609 0.787,610 143.634,611 -0.088,612 -0.058,613 0.022,614 0.031,615 -0.086,616 0.027,617 0.046,618 -0.024,619 0.179,620 0.083,621 0.034,622 0.032,623 -0.16,624 -0.013,625 -0.035,626 -0.007,627 -0.135,628 -0.06,629 -0.029,630 0.034,631 -0.089,632 -0.047,633 -0.061,634 -0.096,635 -0.13,636 -0.093,637 -0.14,638 -0.088,639 -0.124,640 -0.04,641 0.248,642 -0.114,643 0.176,644 -0.031,645 0.358,646 0.056,647 -0.187,648 -0.042,649 -0.153,650 -0.068,651 -0.209,652 -0.095,653 0.189,654 0.149,655 0.098,656 0.143,657 0.038,658 0.104,659 1.932,660 5.619,661 0.607,662 30.939,663 1.016,664 1.109,665 1.942,666 3.77,667 0.722,668 3.434,669 3.738,670 3.951,671 4.159,672 4.29,673 4.277,674 4.29,675 4.407,676 4.454,677 4.511,678 7.502,679 0.685,680 414.54,681 3.434,682 4.963,683 5.79,684 6.65,685 7.493,686 8.357,687 9.207,688 10.074,689 10.928,690 11.798,691 4.3,698 2,709 8,714 4,716 12,734 1,735 1,738 46,739 16,740 2,741 30,743 48,744 20,745 12,746 4,747 8,748 3,752 3,753 3,766 1,768 17,769 3,772 4,778 2,779 1,780 1,782 4,786 1,789 18,790 6,791 2,792 8,793 2,797 2,800 1,803 1,804 4,822 1,823 2,838 1,845 2,852 1,855 3,857 2,859 1,862 28,868 1,869 2,871 1,872 1,873 1,875 1,886 8.7,888 1,889 2,891 1,893 15,894 8.483,895 6.25,896 2.507,898 2.499,899 1.35,900 0.948,901 6.858,902 9.646,903 3.714,904 4.248,905 4.714,906 5.187,907 5.628,908 5.714,909 5.905,910 6.223,911 6.393,912 6.512,913 0.889,914 40,915 10.347,917 4.378,918 7.994,919 19.2,921 15.271,924 2.494,925 69.833,928 1,929 188.338,930 200.367,931 21.135,933 103.973,935 77.412,936 122.955,937 292.311,938 21.135,939 10.883,940 25.775,941 85.286,942 103.933,943 22.186,945 220.557,946 45.192,947 188.338,948 144.09,949 103.973,950 77.412,952 188.338,953 103.973,956 25.775,957 107.288,958 11.027,959 77.412,960 188.338,961 125.108,962 200.367,965 188.338,966 59.006,967 99.294,968 18.011,969 149.165,970 188.338,971 125.108,972 200.367,973 0.579,974 0.332,975 0.171,976 0.089,977 18,978 9,979 0.125,980 6,982 1,983 4.039,984 226.126,986 17,987 130.606,989 1,990 1,993 20.55,994 9.344,995 5.432,997 125.108,998 13.629,1003 2.165,1005 60.694,1006 513.813,1007 40,1013 24.738,1014 5.292,1015 1.769,1017 0.466,1020 46.734,1021 50.996,1022 0.317,1023 0.7,1024 0.845,1025 0.923,1026 0.934,1027 0.934,1028 4.942,1029 1.578,1030 5.771,1031 4.897,1032 4.419,1033 4.934,1034 3.911,1035 6.538,1036 4.312,1037 6.137,1038 1.187,1039 7.309,1040 4.493,1041 4.007,1042 4.691,1043 3.224,1044 7.341,1045 3.833,1046 7.43,1047 1,1048 8.939,1049 2.599,1050 5.979,1051 7.015,1052 6.592,1053 10.401,1054 5.772,1055 8.752,1056 0.801,1057 10.624,1058 2.275,1059 6.347,1060 7.495,1061 6.507,1062 12.038,1063 6.052,1064 10.101,1065 0.563,1066 12.344,1067 1.909,1068 7.805,1069 9.337,1070 9.506,1071 14.63,1072 7.484,1073 11.467,1074 0.059,1075 14.09,1076 0.964,1077 8.55,1078 10.161,1079 9.751,1080 16.659,1081 8.124,1082 12.849,1083 -0.153,1084 15.857,1085 0.138,1086 9.798,1087 11.786,1088 12.452,1089 19.091,1090 9.337,1091 3.148,1092 -0.314,1093 17.642,1094 -0.358,1095 10.734,1096 12.799,1097 12.933,1098 21.304,1099 10.163,1100 2.705,1101 10.558,1102 19.443,1103 -0.696,1104 11.897,1105 14.306,1106 15.408,1107 23.682,1108 11.276,1109 2.645,1110 7.694,1111 21.258,1112 3.814,1113 12.929,1114 15.432,1115 16.07,1116 25.976,1117 12.198,1118 2.318,1119 7.56,1120 23.084,1121 3.661,1122 14.063,1123 16.868,1124 18.371,1125 28.338,1126 13.266,1127 2.23,1128 6.723,1129 24.921,1130 3.547,1131 15.143,1132 18.064,1133 19.176,1134 30.667,1135 14.241,1136 1.908,1137 6.054,1138 26.766,1139 2.901,1140 16.269,1141 19.457,1142 21.339,1143 33.024,1144 15.29,1145 1.815,1146 5.742,1147 28.62,1148 2.837,1149 17.375,1150 20.696,1151 22.261,1152 35.368,1153 16.294,1154 10257,1155 18872,1156 19.592,1157 33.216,1158 44.455,1159 49.699,1160 46.016,1161 43.995,1162 43.915,1163 56.941,1164 18.334,1165 123.213,1166 41.466,1167 5.372,1168 6.908,1169 6.204,1170 5.188,1171 5.148,1172 6.814,1173 8.641,1174 17.515,1175 4.894,1176 15.553,1177 1.482,1178 1.657,1179 1.534,1180 1.467,1181 1.464,1182 1.898,1183 0.611,1184 4.107,1185 1.382,1186 3.968,1187 3.99,1188 4.214,1189 3.915,1190 7.431,1191 3.897,1192 3.906,1193 3.932,1194 3.859,1195 3.823,1196 7.426,1197 3.825,1198 3.766,1199 3.791,1200 3.839,1201 3.701,1202 6.471,1203 3.655,1204 3.533,1205 3.553,1206 3.505,1207 3.389,1208 4.88,1209 3.385,1210 3.273,1211 3.326,1212 3.404,1213 3.11,1214 4.749,1215 3.071,1216 3.094,1217 3.162,1218 3.096,1219 2.898,1220 4.648,1221 2.877,1222 2.948,1223 2.981,1224 3.011,1225 2.851,1226 4.413,1227 2.814,1228 2.904,1229 2.956,1230 2.833,1231 2.746,1232 3.979,1233 2.746,1234 0.147,1235 0.164,1236 0.222,1237 0.135,1238 0.105,1239 4.403,1240 0.127,1241 4.908,1242 0.15,1243 6.648,1244 0.352,1245 4.063,1246 0.096,1247 3.148,1248 3.814,1249 4.506,1250 10.558,1251 2.894,1252 1.911,1253 1.892,1254 2.009,1255 2.003,1256 1.128,1257 2.002,1258 1.881,1259 1.856,1260 1.99,1261 1.991,1262 1.103,1263 1.995,1264 1.63,1265 1.584,1266 1.819,1267 1.833,1268 1.033,1269 1.831,1270 1.43,1271 1.429,1272 1.589,1273 1.598,1274 0.646,1275 1.589,1276 1.221,1277 1.217,1278 1.45,1279 1.491,1280 0.548,1281 1.481,1282 1.162,1283 1.095,1284 1.273,1285 1.345,1286 0.373,1287 1.372,1288 0.93,1289 0.883,1290 1.181,1291 1.149,1292 0.218,1293 1.142,1294 0.886,1295 0.837,1296 1.138,1297 1.096,1298 0.207,1299 1.125,1300 4.111,1302 5.416,1303 2.398,1304 6.899,1305 4.844,1306 8.458,1307 6.986,1308 10.057,1310 1.594,1314 9.44,1315 0.285,1317 2.685,1318 5.124,1319 1.217,1321 1.428,1326 31.491,1327 80.587,1328 177.903,1329 214.574,1330 234.574,1331 237.329,1332 237.329,1333 64.053,1334 7.148,1335 80.56,1336 140.89,1337 17,1338 12.345,1339 4.087,1340 3.459,1341 49.95,1342 124,1343 133,1344 0.192,1345 202.999,1346 363.46,1347 487.076,1348 12604,1350 20.096,1351 0.718,1352 0.596,1353 20.949,1354 16.679,1355 13.457,1356 0.449,1357 0.322,1358 8.424,1359 12.318,1360 8.113,1361 6.728,1362 14.154,1363 9.668,1364 12.083,1365 0.295,1366 0.186,1367 13.258,1368 7.631,1369 9.778,1370 0.192,1371 0.105,1372 10.926,1373 5.357,1374 7.834,1375 0.124,1376 0.061,1377 9.15,1378 3.873,1379 5.785,1380 0.08,1381 0.034,1382 6.864,1383 2.479,1384 0.309,1385 91.503,1386 0.226,1387 27.347,1388 0.503,1389 142,1390 479.055,1391 201.339,1392 501.033,1393 660.09,1394 464,1395 163,1396 436.737,1397 208.703,1398 466.897,1399 676.82,1400 436,1401 4.23}
{0 CHEMBL1598313,1 1.523,2 9.391,3 2.143,4 4.592,5 89.014,6 7.367,7 0.4,8 3.828,9 3.946,10 3.383,11 3.382,12 4.946,13 3.361,14 4.373,15 4.539,16 3.719,17 3.768,18 5.412,19 3.721,20 4.614,21 4.83,22 3.701,23 3.85,24 5.662,25 3.767,26 4.586,27 4.82,28 3.621,29 3.792,30 5.729,31 3.696,32 4.477,33 4.705,34 3.605,35 3.712,36 5.617,37 3.633,38 4.45,39 4.659,40 3.644,41 3.636,42 5.765,43 3.585,44 4.368,45 4.58,46 3.393,47 3.482,48 5.725,49 3.43,50 4.167,51 4.391,52 3.15,53 3.36,54 5.289,55 3.259,56 0.021,57 0.603,58 8.508,59 3.811,60 9.938,61 4.959,62 0.156,63 0.96,64 16.326,65 6.565,66 20.654,67 8.707,68 0.296,69 1.15,70 22.597,71 8.054,72 40.358,73 11.049,74 0.289,75 1.125,76 22.181,77 7.811,78 64.129,79 10.99,80 0.251,81 1.01,82 19.674,83 7.053,84 39.348,85 9.965,86 0.216,87 0.981,88 18.956,89 6.649,90 49.188,91 9.121,92 0.387,93 0.875,94 18.369,95 5.142,96 80.861,97 6.887,98 0.14,99 0.747,100 14.246,101 4.837,102 37.781,103 6.829,104 11,105 34,106 0.266,107 0.664,108 0.83,109 0.88,110 0.888,111 0.888,112 3.188,113 0.933,114 -2.23,115 -2.27,116 -2.24,120 42.9,121 1,122 2,126 2,128 1,136 1,137 1,143 4,144 2,153 2,159 2,174 8,177 4,180 1,182 5,185 8,189 2,192 1,194 5,197 8,200 1,201 2,204 1,206 4,209 7,213 1,214 4,219 1,222 6,227 6,230 2,231 1,232 2,235 3,239 1,240 6,245 2,247 2,252 4,257 1,260 2,264 2,267 1,269 1,271 3,274 744,275 15.715,276 15.715,277 15.715,278 15.715,279 15.715,280 14.114,281 14.285,282 9.35,283 15.955,284 12.271,285 12.271,286 12.271,287 12.271,288 12.271,289 9.702,290 12.992,291 4.346,292 12.641,293 3.87,294 1.586,295 0.637,296 0.351,297 0.304,298 0.304,299 3.867,305 1,306 1,307 1,308 465,309 3.536,312 123.344,313 64.29,316 98.498,320 1.505,321 23.202,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49.5,333 216,334 4.637,335 4.099,336 6.73,337 4.174,338 3.189,339 4.586,340 2.035,341 10.966,342 3.143,343 4.177,344 3.486,345 6.013,346 3.75,347 2.751,348 3.565,349 1.058,350 8.511,351 2.742,352 3.574,353 3.206,354 5.451,355 3.452,356 2.513,357 2.954,358 0.86,359 6.997,360 2.346,361 3.531,362 2.905,363 5.347,364 3.135,365 2.146,366 2.545,368 6.59,369 2.121,370 3.303,371 2.282,372 4.763,373 2.693,374 1.726,375 2.449,377 4.981,378 1.664,379 3.164,380 2.018,381 4.186,382 2.48,383 1.511,384 2.036,386 3.743,387 1.457,388 2.83,389 1.67,390 3.616,391 2.349,392 1.354,393 1.983,395 2.935,396 1.346,397 2.701,398 1.629,399 3.54,400 2.173,401 1.191,402 1.275,404 2.636,405 1.161,406 2.292,407 1.389,408 3.417,409 1.811,410 0.83,411 1.209,413 1.982,414 0.812,415 2.056,416 1.03,417 3,418 1.516,419 0.618,420 0.618,422 1.372,423 0.549,424 1.618,425 0.963,426 2.833,427 1.35,428 0.403,429 0.545,431 0.783,432 0.378,433 1.522,434 0.844,435 2.75,436 1.143,437 0.168,438 0.261,440 0.325,441 0.163,442 1.07,443 0.036,444 2.339,445 0.664,446 -0.314,447 -0.427,449 -0.672,450 -0.306,451 0.7,452 -0.209,453 2.126,454 0.229,455 -0.764,456 -0.97,458 -1.864,459 -0.755,460 0.465,461 -0.409,462 2,463 0.101,464 -0.908,465 -1.121,467 -2.234,468 -0.907,469 10.867,470 0.472,471 0.486,472 0.021,473 28.5,474 1.239,475 14,476 0.609,477 14.5,478 0.63,479 17.965,480 0.781,481 24.533,482 0.584,483 20.03,484 0.871,485 5.583,486 0.243,487 5.603,488 0.244,489 0.113,491 0.322,496 0.789,497 1.194,498 0.798,499 1.051,500 0.515,501 0.94,502 0.96,503 1.114,504 0.9,505 1.038,506 0.526,507 0.978,508 1.143,509 1.015,510 1.023,511 0.962,512 0.731,513 0.978,514 0.927,515 0.971,516 0.993,517 0.972,518 0.954,519 0.988,520 0.763,521 1.016,522 0.853,523 0.956,524 1.006,525 0.917,526 1.02,527 1.181,528 0.888,529 1.127,530 1.616,531 1.015,532 2.054,533 0.915,534 1.352,535 0.833,536 2.82,537 0.955,538 1.122,539 1.192,540 1.218,541 1.178,542 1.57,543 1.194,544 4,545 0.044,546 2.667,547 1.736,548 0.902,549 0.893,550 0.453,551 0.201,552 0.197,553 0.106,554 5707,555 14551,556 2.067,557 45.2,559 10,562 2,563 3,564 4,567 1.658,568 1.944,569 3.203,570 0.278,571 1,572 1,574 1,575 63.953,576 1.523,577 3.806,578 4.755,579 5.041,580 5.089,581 5.089,582 2.703,583 4.263,584 4.496,585 3.384,586 856.17,587 7.746,588 9829.62,589 1,590 1,592 1,593 226.477,594 1.371,595 4.458,596 0.16,597 0.003,598 0.078,599 0.054,600 0.031,601 0.031,602 0.016,603 0.009,604 0.012,605 0.007,606 0.401,607 0.33,608 1,609 0.777,610 107.746,611 -0.052,612 -0.036,613 0.036,614 0.001,615 0.014,616 0.031,617 -0.001,618 -0.059,619 0.01,620 -0.016,621 0.032,622 -0.006,623 -0.084,624 -0.025,625 -0.051,626 0.018,627 0.032,628 -0.01,629 0.001,630 0.024,631 -0.022,632 -0.003,633 0.09,634 -0.016,635 0.131,636 -0.025,637 0.112,638 0.025,639 0.03,640 0.065,641 0.138,642 -0.18,643 0.098,644 -0.168,645 0.006,646 -0.067,647 -0.36,648 0.121,649 -0.3,650 0.055,651 -0.403,652 -0.085,653 -0.167,654 -0.161,655 -0.256,656 -0.23,657 -0.235,658 -0.247,659 2.021,660 5.237,661 0.609,662 17.958,663 1.001,664 1.125,665 1.003,666 1.006,667 0.667,668 3.258,669 3.555,670 3.829,671 4.06,672 4.159,673 4.19,674 4.234,675 4.277,676 4.111,677 4.043,678 5.754,679 0.636,680 309.4,681 3.258,682 4.779,683 5.624,684 6.491,685 7.356,686 8.23,687 9.103,688 9.981,689 10.859,690 11.74,691 7.1,698 1,699 1,700 1,708 2,709 4,711 1,714 2,716 10,738 42,739 13,740 1,741 25,743 44,744 18,745 8,746 2,747 4,748 3,752 3,753 4,759 1,763 3,766 3,767 1,768 11,769 6,772 2,778 1,780 1,782 2,785 1,786 1,789 19,790 4,791 2,792 5,797 3,803 0.667,804 2,810 1,818 1,822 2,823 1,826 1,833 1,838 1,845 1,846 1,854 1,855 2,859 1,862 23,869 4,871 1,872 1,874 1,877 1,882 1,884 1,886 4.8,889 1,890 1,893 11.833,894 7.783,895 5.194,896 2.606,898 2.715,899 1.403,900 0.98,901 4.686,902 9.445,903 3.555,904 4.099,905 4.72,906 5.302,907 5.782,908 6.149,909 6.544,910 6.924,911 6.885,912 7.058,913 1,914 32,915 8.511,917 3.606,918 7.819,919 16.24,921 13.312,924 2.319,925 53.333,929 200.109,930 103.125,931 65.856,933 36.145,936 103.125,937 236.254,938 65.856,939 8.825,940 29.778,941 47.381,942 57.451,943 56.789,944 4.901,945 200.109,947 200.109,948 168.981,949 36.145,952 153.024,953 72.229,954 11,956 86.448,957 73.056,958 9.476,960 200.109,961 102,962 103.125,965 200.109,966 30.317,967 56.206,968 51.398,969 67.204,970 200.109,971 102,972 103.125,973 0.572,974 0.344,975 0.186,976 0.09,977 16,978 7,979 0.091,980 4,981 1,982 1.143,983 3.561,984 178.394,985 0.143,986 14,987 104.042,993 15.641,994 6.89,995 3.406,996 1.998,997 85.215,998 7.842,1000 3.266,1003 1.815,1005 34.796,1006 405.234,1007 34,1013 12.237,1015 1.652,1017 -0.247,1020 42.029,1021 47.235,1022 0.282,1023 0.706,1024 0.882,1025 0.935,1026 0.944,1027 0.944,1028 4.792,1029 1.191,1030 5.595,1031 2.935,1032 4.234,1033 4.783,1034 2.565,1035 6.392,1036 4.182,1037 5.996,1038 0.83,1039 7.146,1040 2.636,1041 3.761,1042 4.59,1044 7.286,1045 3.716,1046 7.302,1047 0.618,1048 8.801,1049 1.982,1050 5.808,1051 7.004,1052 3.661,1053 10.39,1054 5.717,1055 8.649,1056 0.403,1057 10.519,1058 1.372,1059 6.217,1060 7.742,1062 12.163,1063 6.13,1064 10.032,1065 0.168,1066 12.277,1067 0.783,1068 7.69,1069 9.601,1070 4.987,1071 14.776,1072 7.574,1073 11.441,1074 -0.314,1075 14.064,1076 0.325,1077 8.497,1078 10.77,1080 16.908,1081 8.38,1082 12.873,1083 -0.764,1084 15.871,1085 -0.672,1086 9.753,1087 12.418,1088 6.384,1089 19.365,1090 9.617,1091 3.189,1092 -0.908,1093 17.695,1094 -1.864,1095 10.743,1096 13.785,1098 21.649,1099 10.601,1100 2.751,1101 10.966,1102 19.531,1103 -2.234,1104 11.918,1105 15.351,1106 7.799,1107 24.057,1108 11.762,1109 2.513,1110 8.511,1111 21.377,1112 4.586,1113 12.99,1114 16.805,1116 26.403,1117 12.825,1118 2.146,1119 6.997,1120 23.232,1121 3.565,1122 14.14,1123 18.34,1124 9.218,1125 28.797,1126 13.961,1127 1.726,1128 6.59,1129 25.093,1130 2.954,1131 15.251,1132 19.832,1134 31.169,1135 15.061,1136 1.511,1137 4.981,1138 26.961,1139 2.545,1140 16.394,1141 21.357,1142 10.638,1143 33.56,1144 16.191,1145 1.354,1146 3.743,1147 28.834,1148 2.449,1149 17.524,1150 22.865,1152 35.944,1153 17.309,1154 5527,1155 8931,1156 16.701,1157 28.017,1158 38.17,1159 41.107,1160 38.011,1161 36.722,1162 36.8,1163 48.05,1164 7.906,1165 103.642,1166 35.764,1167 5.6,1168 6.099,1169 6.411,1170 5.228,1171 5.189,1172 7.586,1173 4.069,1174 17.888,1175 5.143,1176 10.027,1177 1.527,1178 1.644,1179 1.52,1180 1.469,1181 1.472,1182 1.922,1183 0.316,1184 4.146,1185 1.431,1186 4.141,1187 4.172,1188 4.104,1189 4.063,1190 7.43,1191 4.069,1192 3.846,1193 3.89,1194 3.743,1195 3.673,1196 6.818,1197 3.681,1198 3.674,1199 3.702,1200 3.616,1201 3.556,1202 4.965,1203 3.564,1204 3.46,1205 3.519,1206 3.351,1207 3.317,1208 4.641,1209 3.32,1210 3.264,1211 3.346,1212 3.142,1213 3.054,1214 4.344,1215 3.056,1216 2.951,1217 3.051,1218 2.855,1219 2.818,1220 4.089,1221 2.815,1222 2.944,1223 3.006,1224 2.78,1225 2.76,1226 3.893,1227 2.736,1228 2.894,1229 2.949,1230 2.704,1231 2.627,1232 3.678,1233 2.666,1234 0.185,1235 0.164,1236 0.269,1237 0.167,1238 0.128,1239 4.637,1240 0.183,1241 4.099,1242 0.081,1243 6.73,1244 0.439,1245 4.174,1246 0.126,1247 3.189,1248 4.586,1249 2.035,1250 10.966,1251 3.143,1252 1.942,1253 1.921,1254 2.032,1255 2.017,1256 1.26,1257 2.023,1258 1.741,1259 1.707,1260 1.898,1261 1.91,1262 1.163,1263 1.9,1264 1.634,1265 1.575,1266 1.843,1267 1.81,1268 0.976,1269 1.826,1270 1.489,1271 1.434,1272 1.719,1273 1.708,1274 0.937,1275 1.721,1276 1.385,1277 1.336,1278 1.584,1279 1.604,1280 0.626,1281 1.595,1282 1.02,1283 0.971,1284 1.287,1285 1.297,1286 0.456,1287 1.289,1288 0.954,1289 0.875,1290 1.247,1291 1.216,1292 0.291,1293 1.241,1294 0.919,1295 0.846,1296 1.138,1297 1.12,1298 0.224,1299 1.128,1300 3.932,1302 5.231,1303 3.045,1304 6.715,1305 5.352,1306 8.285,1307 7.402,1308 9.903,1310 1.936,1315 3.171,1317 2.791,1318 5.477,1320 0.064,1324 9.33,1325 2.002,1326 26.708,1327 63.953,1328 159.848,1329 199.722,1330 211.722,1331 213.722,1332 213.722,1333 41.231,1334 6.73,1335 77.91,1336 77.91,1337 16,1338 12.276,1339 3.807,1340 3.322,1341 36.823,1342 78,1343 74,1344 0.227,1345 166.209,1346 290.54,1347 397.309,1348 6912,1350 16.234,1351 0.706,1352 0.568,1353 16.234,1354 13.056,1355 11.186,1356 0.447,1357 0.311,1358 7.683,1359 10.807,1360 7.497,1361 6.207,1362 11.186,1363 7.777,1364 9.694,1365 0.285,1366 0.168,1367 9.694,1368 5.724,1369 8.332,1370 0.185,1371 0.091,1372 8.332,1373 4.111,1374 6.758,1375 0.119,1376 0.051,1377 6.758,1378 2.884,1379 4.834,1380 0.077,1381 0.027,1382 4.834,1383 1.681,1384 0.355,1385 69.817,1386 0.245,1387 22.64,1388 0.629,1389 118,1390 343.782,1391 128.226,1392 333.935,1393 450.63,1394 312,1395 138,1396 322.534,1397 148.034,1398 328.049,1399 476.5,1400 309,1401 4.275}
{0 CHEMBL1598774,1 1.385,2 10.852,3 4.11,4 16.89,5 105.341,6 8.32,7 0.586,8 3.816,9 3.922,10 3.485,11 3.492,12 5.128,13 3.468,14 4.264,15 4.408,16 3.767,17 3.84,18 5.4,19 3.794,20 4.515,21 4.712,22 3.822,23 3.95,24 5.685,25 3.88,26 4.533,27 4.736,28 3.811,29 3.94,30 5.766,31 3.867,32 4.513,33 4.71,34 3.809,35 3.935,36 5.699,37 3.859,38 4.501,39 4.721,40 3.717,41 3.863,42 5.716,43 3.774,44 4.393,45 4.613,46 3.608,47 3.773,48 5.583,49 3.681,50 4.337,51 4.561,52 3.567,53 3.656,54 5.726,55 3.593,56 0.029,57 0.573,58 5.981,59 3.15,60 11.041,61 3.911,62 0.039,63 0.893,64 10.755,65 5.171,66 13.569,67 6.498,68 0.103,69 1.157,70 16.565,71 7.064,72 34.881,73 9.151,74 0.178,75 1.208,76 17.072,77 6.992,78 54.291,79 8.981,80 0.102,81 1.155,82 16.483,83 7.195,84 26.881,85 9.436,86 0.2,87 1.159,88 17.585,89 7.336,90 43.374,91 9.825,92 0.058,93 0.987,94 15.962,95 7.02,96 30.625,97 9.572,98 0.138,99 1.011,100 14.955,101 5.531,102 60.645,103 7.019,104 27,105 38,106 0.235,107 0.554,108 0.677,109 0.76,110 0.818,111 0.818,112 3.34,113 0.866,114 -3.44,115 -3.42,116 -3.27,120 52.4,122 1,126 1,136 1,137 1,143 9,144 4,147 1,152 1,159 3,167 1,174 15,177 7,185 18,189 8,197 17,200 2,201 8,209 16,213 1,214 3,222 15,226 4,227 5,235 11,240 9,247 7,252 13,260 6,264 7,271 6,274 1271,275 18.817,276 18.817,277 18.817,278 18.817,279 18.817,280 16.276,281 8.683,282 11.484,283 18.947,284 14.19,285 14.19,286 14.19,287 14.19,288 14.19,289 10.134,290 4.989,291 5.276,292 14.423,293 4.008,294 2.127,295 1.4,296 0.911,297 0.571,298 0.571,299 4.025,306 1,307 1,308 612,309 3.464,312 83.755,313 186.071,320 1.72,321 21.119,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 56.5,333 293,334 4.49,335 4.234,336 6.561,337 4.092,338 3.111,339 4.199,340 2.689,341 10.451,342 3.052,343 4.216,344 4.037,345 6.136,346 3.834,347 2.837,348 3.84,349 2.308,350 9.033,351 2.828,352 4.05,353 3.869,354 5.472,355 3.431,356 2.439,357 3.364,358 1.539,359 7.175,360 2.419,361 3.728,362 3.118,363 5.285,364 3.306,365 2.34,366 3.194,368 6.76,369 2.257,370 3.5,371 2.839,372 4.887,373 2.922,374 1.936,375 2.67,377 5.354,378 1.906,379 3.326,380 2.428,381 4.475,382 2.723,383 1.729,384 2.315,386 4.509,387 1.718,388 3.303,389 2.397,390 3.966,391 2.336,392 1.363,393 1.963,395 3.019,396 1.324,397 3.165,398 1.98,399 3.49,400 2.209,401 1.217,402 1.754,404 2.612,405 1.206,406 2.752,407 1.751,408 3.414,409 2,410 1,411 1.5,413 2.404,414 1,415 2.574,416 1.506,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1.217,426 3.247,427 1.856,428 0.891,429 1.312,431 2.136,432 0.858,433 2.5,434 1,435 2.885,436 1.547,437 0.618,438 1.303,440 0.791,441 0.572,442 2.319,443 1,444 2.618,445 1.218,446 0.271,447 0.441,449 0.45,450 0.256,451 1.868,452 0.893,453 2.584,454 1.089,455 0.133,456 0.241,458 0.213,459 0.126,460 1.078,461 0.089,462 2.459,463 0.667,464 -0.321,465 -0.439,467 -0.745,468 -0.316,469 13,470 0.481,471 0.427,472 0.016,473 42.5,474 1.574,475 26.5,476 0.981,477 16,478 0.593,479 16.424,480 0.608,481 25.4,482 0.605,483 30.671,484 1.136,485 8.351,486 0.309,487 4.894,488 0.181,489 0.092,491 0.262,496 0.533,497 0.939,498 0.678,499 0.881,500 0.392,501 0.815,502 0.804,503 1.039,504 0.884,505 1.002,506 0.415,507 0.964,508 0.957,509 1.012,510 0.975,511 1.003,512 0.621,513 0.994,514 1.029,515 0.91,516 1.052,517 0.976,518 0.702,519 1.008,520 0.794,521 1.072,522 0.971,523 1.09,524 0.509,525 1.06,526 0.659,527 0.85,528 0.964,529 1.001,530 0.834,531 1.016,532 0.56,533 1.065,534 0.847,535 1.073,536 0.703,537 1.011,538 1.44,539 1.076,540 1.068,541 0.946,542 1.764,543 0.958,544 4.5,545 0.091,546 2.444,547 1.632,548 0.948,549 0.969,550 0.677,551 0.306,552 0.264,553 0.216,554 8496,555 26428,556 2.057,557 35.7,559 12,560 1,563 2,567 1.704,568 1.952,569 3.414,570 -0.806,572 1,575 58.157,576 1.385,577 3.265,578 3.992,579 4.481,580 4.821,581 4.821,582 2.876,583 4.208,584 4.719,585 3.579,586 1256.09,587 8.217,588 16426.3,590 1,592 1,593 226.477,594 1.277,595 4.698,596 0.155,597 0.005,598 0.064,599 0.042,600 0.025,601 0.026,602 0.02,603 0.01,604 0.009,605 0.009,606 0.364,607 0.33,608 1,609 1.437,610 134.261,611 0.141,612 0.022,613 0.04,614 -0.005,615 0.106,616 0.003,617 -0.07,618 -0.088,619 -0.074,620 -0.083,621 -0.015,622 -0.08,623 -0.083,624 -0.057,625 -0.03,626 -0.028,627 0.01,628 -0.023,629 -0.028,630 0.079,631 -0.093,632 -0.014,633 0.042,634 -0.052,635 0.055,636 -0.128,637 -0.022,638 -0.11,639 0.065,640 -0.082,641 0.266,642 0.103,643 0.046,644 0.005,645 0.043,647 0.145,648 -0.18,649 0.168,650 -0.029,651 0.067,652 0.051,653 -0.211,654 -0.04,655 -0.047,656 0.013,657 -0.269,658 0.005,659 1.656,660 3.048,661 0.63,662 29.638,663 0.998,664 1.109,665 2.208,666 4.874,667 0.734,668 3.401,669 3.664,670 3.932,671 4.174,672 4.382,673 4.477,674 4.644,675 4.71,676 4.771,677 4.844,678 6.531,679 0.708,680 349.42,681 3.401,682 4.905,683 5.74,684 6.597,685 7.456,686 8.327,687 9.198,688 10.076,689 10.953,690 11.834,691 11.9,699 1,700 3,701 1,709 10,710 1,714 5,715 1,716 17,738 42,739 21,740 2,741 29,743 44,744 22,745 15,746 3,747 9,748 2,752 3,753 3,766 1,767 3,768 17,769 2,772 1,780 1,782 1,786 1,789 15,790 4,792 5,797 5,803 1,814 1,822 1,823 2,833 3,845 1,846 1,855 3,862 27,869 2,877 3,882 3,884 3,893 13.833,894 7.917,895 6.333,896 2.511,898 3.816,899 1.53,900 0.977,901 5.566,902 11.02,903 3.818,904 4.321,905 4.941,906 5.506,907 6.024,908 6.371,909 6.882,910 7.29,911 7.627,912 8.048,913 1,914 39,915 9.84,917 4.05,918 7.926,919 18.465,921 14.6,924 2.426,925 65.5,928 1,929 176.567,930 176.94,931 111.618,936 176.94,937 176.567,938 111.618,940 4.64,941 103.81,942 66.468,943 113.639,944 11.771,945 164.795,947 176.567,948 288.558,952 176.567,956 102.352,957 160.067,958 26.139,960 176.567,961 111.618,962 176.94,965 176.567,966 23.325,967 105.586,968 49.805,969 109.841,970 176.567,971 111.618,972 176.94,973 0.553,974 0.329,975 0.178,976 0.099,977 16,978 7,979 0.114,980 5,982 1,983 3.9,984 220.908,986 17,987 116.382,993 17.849,994 8.42,995 4.175,997 109.841,998 19.785,999 4.544,1003 4.455,1004 1.669,1006 465.124,1007 44.5,1015 1.524,1017 0.011,1020 41.927,1021 46.568,1022 0.257,1023 0.606,1024 0.74,1025 0.831,1026 0.894,1027 0.894,1028 5.039,1029 1.217,1030 5.687,1031 3.019,1032 4.344,1033 5.007,1034 3.429,1035 6.46,1036 4.312,1037 6.256,1038 1,1039 7.216,1040 2.612,1041 3.761,1042 4.543,1044 7.298,1045 3.72,1046 7.55,1047 1,1048 8.848,1049 2.404,1050 5.889,1051 7.172,1052 5.157,1053 10.393,1054 5.83,1055 8.878,1056 0.891,1057 10.543,1058 2.275,1059 6.196,1060 7.63,1062 12.097,1063 6.123,1064 10.234,1065 0.618,1066 12.279,1067 2.136,1068 7.724,1069 9.606,1070 6.991,1071 14.684,1072 7.638,1073 11.612,1074 0.271,1075 14.043,1076 0.791,1077 8.447,1078 10.513,1080 16.742,1081 8.345,1082 13.008,1083 0.133,1084 15.828,1085 0.45,1086 9.726,1087 12.197,1088 8.875,1089 19.158,1090 9.613,1091 3.111,1092 -0.321,1093 17.628,1094 0.213,1095 10.653,1096 13.339,1098 21.369,1099 10.521,1100 2.837,1101 10.451,1102 19.441,1103 -0.745,1104 11.828,1105 14.883,1106 10.786,1107 23.727,1108 11.683,1109 2.439,1110 9.033,1111 21.262,1112 4.199,1113 12.852,1114 16.151,1116 26.005,1117 12.689,1118 2.34,1119 7.175,1120 23.091,1121 3.84,1122 13.987,1123 17.627,1124 12.714,1125 28.343,1126 13.808,1127 1.936,1128 6.76,1129 24.927,1130 3.364,1131 15.059,1132 18.964,1134 30.652,1135 14.861,1136 1.729,1137 5.354,1138 26.768,1139 3.194,1140 16.179,1141 20.409,1142 14.655,1143 32.986,1144 15.965,1145 1.363,1146 4.509,1147 28.613,1148 2.67,1149 17.275,1150 21.783,1152 35.309,1153 17.042,1154 8417,1155 14957,1156 19.474,1157 30.836,1158 45.619,1159 50.076,1160 43.566,1161 41.702,1162 41.77,1163 59.19,1164 13.074,1165 114.365,1166 41.044,1167 5.236,1168 6.234,1169 6.423,1170 5.093,1171 5.111,1172 7.199,1173 5.379,1174 17.318,1175 5.052,1176 12.094,1177 1.573,1178 1.727,1179 1.502,1180 1.438,1181 1.44,1182 2.041,1183 0.451,1184 3.944,1185 1.415,1186 4.068,1187 4.105,1188 4.029,1189 3.995,1190 6.856,1191 3.996,1192 3.916,1193 3.953,1194 3.864,1195 3.822,1196 6.818,1197 3.828,1198 3.706,1199 3.744,1200 3.636,1201 3.633,1202 6.782,1203 3.63,1204 3.627,1205 3.674,1206 3.58,1207 3.485,1208 4.961,1209 3.5,1210 3.433,1211 3.49,1212 3.373,1213 3.283,1214 4.79,1215 3.298,1216 2.967,1217 3.019,1218 2.915,1219 2.866,1220 4.55,1221 2.864,1222 2.912,1223 2.981,1224 2.892,1225 2.735,1226 4.028,1227 2.715,1228 2.854,1229 2.925,1230 2.743,1231 2.735,1232 3.761,1233 2.715,1234 0.155,1235 0.146,1236 0.226,1237 0.141,1238 0.107,1239 4.49,1240 0.145,1241 4.234,1242 0.093,1243 6.561,1244 0.36,1245 4.092,1246 0.105,1247 3.111,1248 4.199,1249 2.689,1250 10.451,1251 3.052,1252 1.997,1253 1.977,1254 2.092,1255 2.056,1256 1.205,1257 2.069,1258 1.801,1259 1.776,1260 1.912,1261 1.896,1262 1.089,1263 1.889,1264 1.702,1265 1.662,1266 1.86,1267 1.875,1268 0.994,1269 1.885,1270 1.611,1271 1.555,1272 1.732,1273 1.744,1274 0.794,1275 1.742,1276 1.255,1277 1.222,1278 1.351,1279 1.449,1280 0.338,1281 1.42,1282 1.159,1283 1.093,1284 1.259,1285 1.353,1286 0.315,1287 1.331,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 4.078,1302 5.352,1303 2.398,1304 6.828,1305 4.727,1306 8.392,1307 6.823,1308 10.005,1315 0.786,1324 26.889,1325 5.838,1326 29.741,1327 58.157,1328 137.139,1329 167.683,1330 188.213,1331 202.477,1332 202.477,1333 47.108,1334 7.204,1335 89.19,1336 89.19,1337 17,1338 12.37,1339 4.459,1340 4.044,1341 46.794,1342 101,1343 110,1344 0.22,1345 189.682,1346 334.78,1347 454.585,1348 12082,1350 19.062,1351 0.706,1352 0.537,1353 19.062,1354 14.501,1355 13.245,1356 0.457,1357 0.289,1358 8.308,1359 12.951,1360 8.11,1361 6.764,1362 13.245,1363 8.37,1364 10.895,1365 0.287,1366 0.153,1367 10.895,1368 5.829,1369 9.342,1370 0.187,1371 0.081,1372 9.342,1373 4.049,1374 7.554,1375 0.118,1376 0.043,1377 7.554,1378 2.742,1379 6.004,1380 0.076,1381 0.023,1382 6.004,1383 1.84,1384 0.343,1385 81.552,1386 0.227,1387 26.017,1388 0.61,1389 134,1390 394.226,1391 140.217,1392 406.113,1393 547.22,1394 376,1395 155,1396 395.039,1397 162.105,1398 409.514,1399 580.61,1400 384,1401 5.124}
{0 CHEMBL1598940,1 1.792,2 10.375,3 4.135,4 17.098,5 118.084,6 8.722,7 0.657,8 4.073,9 4.154,10 3.896,11 3.664,12 5.268,13 3.646,14 4.582,15 4.709,16 4.212,17 4.034,18 5.952,19 4.008,20 4.803,21 4.937,22 4.355,23 4.191,24 6.051,25 4.142,26 4.994,27 5.175,28 4.33,29 4.171,30 6.443,31 4.119,32 4.884,33 5.042,34 4.335,35 4.179,36 6.158,37 4.129,38 5.007,39 5.183,40 4.327,41 4.211,42 6.461,43 4.172,44 4.921,45 5.094,46 4.294,47 4.21,48 6.237,49 4.17,50 4.934,51 5.114,52 4.268,53 4.146,54 6.369,55 4.116,56 0.159,57 0.818,58 10.504,59 5.104,60 22.114,61 5.18,62 0.536,63 1.301,64 17.255,65 7.962,66 55.334,67 8.471,68 0.44,69 1.685,70 28.141,71 11.638,72 57.824,73 11.55,74 1.26,75 1.856,76 35.434,77 12.345,78 178.568,79 12.496,80 0.638,81 1.651,82 32.288,83 12.052,84 80.33,85 12.669,86 1.189,87 1.833,88 34.613,89 12.57,90 186.476,91 13.249,92 0.689,93 1.734,94 29.186,95 11.98,96 70.188,97 13.553,98 0.995,99 1.861,100 30.176,101 11.441,102 129.685,103 12.499,104 27,105 50,106 0.294,107 0.601,108 0.765,109 0.882,110 0.901,111 0.901,112 3.503,113 0.954,114 -3.77,115 -3.74,116 -3.55,120 44.2,125 1,126 2,143 10,144 3,145 3,146 2,147 1,148 1,174 9,176 3,177 9,180 1,182 1,185 7,189 11,194 1,197 5,200 2,201 13,204 1,206 2,209 3,213 1,214 9,219 2,222 5,226 4,227 7,230 2,232 1,235 9,239 1,240 7,243 1,245 2,247 11,251 1,252 8,255 1,257 3,260 10,263 2,264 6,269 1,271 8,274 1910,275 21.435,276 21.435,277 21.435,278 21.435,279 21.435,280 18.348,281 18.473,282 12.542,283 22.005,284 17.213,285 17.213,286 17.213,287 17.213,288 17.213,289 12.563,290 21.558,291 5.897,292 18.11,293 3.908,294 2.036,295 1.038,296 0.322,297 0.207,298 0.207,299 4.195,306 1,307 1,308 712,309 4,313 410.344,317 155.261,320 1.438,321 55.168,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 71,333 332,334 4.961,335 4.753,336 7.722,337 4.469,338 3.548,339 4.793,340 0.86,341 13.892,342 3.244,343 4.499,344 3.205,345 6.341,346 4.015,347 3.044,348 4.429,349 0.759,350 9.749,351 2.955,352 3.979,353 2.964,354 6.007,355 3.599,356 2.638,357 3.495,358 0.359,359 8.295,360 2.53,361 3.905,362 2.828,363 5.8,364 3.495,365 2.527,366 3.438,368 7.703,369 2.447,370 3.831,371 2.723,372 5.358,373 3.348,374 2.383,375 3.385,377 6.892,378 2.287,379 3.519,380 2.446,381 5.215,382 3.094,383 2.152,384 2.88,386 6.452,387 2.016,388 3.196,389 2.172,390 4.782,391 2.714,392 1.77,393 2.509,395 5.034,396 1.668,397 2.993,398 1.812,399 4.61,400 2.576,401 1.626,402 2.151,404 4.515,405 1.536,406 2.864,407 1.6,408 3.967,409 2.382,410 1.414,411 2.022,413 3.144,414 1.357,415 2.742,416 1.497,417 3.77,418 2.322,419 1.364,420 1.825,422 3.039,423 1.299,424 2.587,425 1.289,426 3.604,427 2.095,428 1.115,429 1.584,431 2.82,432 1.089,433 2.5,434 1.101,435 3.542,436 1.957,437 1,438 1.5,440 2.429,441 0.954,442 2.347,443 1.02,444 3.247,445 1.893,446 0.927,447 1.268,449 2.136,450 0.892,451 1.733,452 1,453 3.028,454 1.421,455 0.551,456 0.624,458 0.95,459 0.474,460 1.359,461 0.478,462 2.887,463 1.059,464 0.111,465 0.134,467 0.259,468 0.105,469 15.152,470 0.474,471 0.879,472 0.027,473 46.5,474 1.453,475 26,476 0.813,477 20.5,478 0.641,479 24.105,480 0.753,481 34.048,482 0.655,483 40.336,484 1.26,485 9.397,486 0.294,487 5.982,488 0.187,489 0.118,490 0.055,491 0.29,494 1,496 0.631,497 1.16,498 0.756,499 1.183,500 0.679,501 0.903,502 0.769,503 0.931,504 0.797,505 0.831,506 0.602,507 0.826,508 0.94,509 1.354,510 1.261,511 1.435,512 0.907,513 1.157,514 1.269,515 0.849,516 1.163,517 0.9,518 1.395,519 0.938,520 1.006,521 1.092,522 1.153,523 1.264,524 1.106,525 1.052,526 1.214,527 0.904,528 1.043,529 0.861,530 1.368,531 0.907,532 0.881,533 1.071,534 0.865,535 0.997,536 0.898,537 0.964,538 1.105,539 1.04,540 0.93,541 0.955,542 1.151,543 0.997,544 7.5,545 0.14,546 4.222,547 2.75,548 2.409,549 1.347,550 1.057,551 0.712,552 0.468,553 0.347,554 12721,555 41164,556 2.056,557 38.5,559 17,561 2,562 1,567 1.754,568 1.91,569 3.315,570 -0.31,572 1,575 93.187,576 1.792,577 3.664,578 4.662,579 5.378,580 5.494,581 5.494,582 2.694,583 4.5,584 4.972,585 3.492,586 1732.05,587 8.748,588 24731,590 1,593 296.423,594 1.574,595 4.918,596 0.214,597 0.005,598 0.084,599 0.051,600 0.048,601 0.026,602 0.02,603 0.013,604 0.009,605 0.009,606 0.48,607 0.33,608 1,609 0.731,610 164.955,611 0.013,612 -0.151,613 0.174,614 -0.093,615 -0.12,616 0.008,617 0.068,618 0.064,619 0.07,620 0.131,621 0.12,622 0.068,623 -0.081,624 -0.305,625 -0.114,626 -0.286,627 -0.051,628 -0.196,629 -0.037,630 0.188,631 -0.073,632 0.103,633 -0.011,634 -0.002,635 -0.065,636 -0.157,637 -0.021,638 -0.163,639 -0.066,640 -0.068,641 -0.03,642 0.099,643 -0.056,644 0.098,645 -0.017,646 0.035,647 0.008,648 -0.132,649 0.035,650 -0.046,651 0.01,652 0.01,653 0.024,654 0.069,655 -0.034,656 -0.039,657 0.006,658 -0.059,659 5.161,660 6.4,661 0.688,662 28.438,663 1.022,664 1.122,665 2.543,666 6.469,667 0.698,668 3.584,669 3.932,670 4.205,671 4.443,672 4.7,673 4.736,674 4.868,675 5.004,676 5.1,677 5.1,678 6.412,679 0.678,680 453.53,681 3.584,682 5.142,683 5.999,684 6.889,685 7.767,686 8.662,687 9.549,688 10.448,689 11.34,690 12.24,691 5.8,694 1,701 2,708 2,709 12,710 2,714 6,716 23,734 1,735 1,737 1,738 52,739 25,740 2,741 35,743 55,744 23,745 20,746 5,747 7,752 4,753 5,768 20,769 3,772 2,776 1,778 2,786 1,787 1,789 20,790 8,791 1,792 9,793 1,797 3,803 0.75,804 4,816 2,823 4,827 1,855 3,857 1,859 1,861 1,862 32,866 1,868 1,869 2,872 1,875 1,885 1,886 7.7,888 1,889 2,891 1,893 16.75,894 9.61,895 7,896 2.795,898 3.309,899 1.437,900 0.985,901 6.265,902 10.886,903 3.902,904 4.57,905 5.137,906 5.696,907 6.276,908 6.483,909 6.853,910 7.237,911 7.603,912 7.682,913 0.857,914 54,915 12.315,917 5.789,918 8.086,919 21.981,921 18.127,924 2.586,925 82.75,928 1,929 223.651,930 160.763,931 35.09,933 97.996,934 14.96,935 5.807,936 154.955,937 321.647,938 50.05,939 10.883,940 4.211,941 100.57,942 144.11,943 57.617,944 14.96,945 200.109,947 223.651,948 190.045,949 112.956,950 5.807,952 238.611,953 97.996,956 25.969,957 130.505,958 39.378,960 238.611,961 133.086,962 160.763,964 5.807,965 223.651,966 31.215,967 125.259,969 146.527,970 223.651,971 148.046,972 160.763,973 0.587,974 0.348,975 0.183,976 0.103,977 24,978 11,979 0.127,980 7,981 1,982 1.091,983 4.12,984 303.152,985 0.091,986 22,987 158,992 1,993 22.003,994 9.112,995 4.696,996 1.199,997 148.046,998 18.499,999 8.199,1003 -0.116,1005 42.683,1006 532.46,1007 48.5,1011 -4.244,1013 26.761,1020 53.156,1021 58.329,1022 0.314,1023 0.643,1024 0.818,1025 0.943,1026 0.964,1027 0.964,1028 5.14,1029 1.626,1030 6.019,1031 5.034,1032 4.615,1033 5.257,1034 1.358,1035 6.887,1036 4.515,1037 6.391,1038 1.414,1039 7.623,1040 4.515,1041 4.369,1042 5.301,1044 8.111,1045 4.18,1046 7.745,1047 1.364,1048 9.347,1049 3.144,1050 6.301,1051 7.604,1052 1.026,1053 11.209,1054 6.088,1055 9.143,1056 1.115,1057 11.147,1058 3.039,1059 6.889,1060 8.467,1062 13.326,1063 6.562,1064 10.578,1065 1,1066 13,1067 2.82,1068 8.341,1069 10.291,1070 0.786,1071 16.059,1072 7.985,1073 12.042,1074 0.927,1075 14.893,1076 2.429,1077 9.3,1078 11.522,1080 18.509,1081 8.823,1082 13.529,1083 0.551,1084 16.817,1085 2.136,1086 10.593,1087 13.168,1088 0.598,1089 21.159,1090 10.064,1091 3.548,1092 0.111,1093 18.766,1094 0.95,1095 11.715,1096 14.57,1098 23.726,1099 11.072,1100 3.044,1101 13.892,1102 20.734,1103 0.259,1104 12.963,1105 16.15,1106 0.45,1107 26.358,1108 12.248,1109 2.638,1110 9.749,1111 22.717,1112 4.793,1113 14.156,1114 17.63,1116 28.966,1117 13.333,1118 2.527,1119 8.295,1120 24.713,1121 4.429,1122 15.397,1123 19.187,1124 0.336,1125 31.595,1126 14.489,1127 2.383,1128 7.703,1129 26.719,1130 3.495,1131 16.623,1132 20.704,1134 34.217,1135 15.612,1136 2.152,1137 6.892,1138 28.733,1139 3.438,1140 17.867,1141 22.254,1142 0.25,1143 36.847,1144 16.765,1145 1.77,1146 6.452,1147 30.753,1148 3.385,1149 19.109,1150 23.789,1152 39.474,1153 17.906,1154 12207,1155 22150,1156 23.057,1157 36.273,1158 52.507,1159 54.119,1160 54.042,1161 52.42,1162 52.344,1163 72.077,1164 3.954,1165 154.618,1166 49.705,1167 5.837,1168 6.753,1169 7.524,1170 5.526,1171 5.548,1172 7.793,1173 1.72,1174 22.184,1175 5.244,1176 16.125,1177 1.5,1178 1.546,1179 1.544,1180 1.498,1181 1.496,1182 2.059,1183 0.113,1184 4.418,1185 1.42,1186 4.129,1187 4.133,1188 4.744,1189 4.089,1190 8.201,1191 4.037,1192 4.032,1193 4.031,1194 4.036,1195 3.978,1196 7.714,1197 3.952,1198 3.862,1199 3.901,1200 3.802,1201 3.766,1202 6.999,1203 3.768,1204 3.667,1205 3.686,1206 3.709,1207 3.568,1208 6.475,1209 3.532,1210 3.516,1211 3.517,1212 3.493,1213 3.402,1214 4.959,1215 3.38,1216 3.228,1217 3.283,1218 3.109,1219 3.002,1220 4.892,1221 3,1222 3.114,1223 3.168,1224 2.972,1225 2.939,1226 4.614,1227 2.932,1228 2.995,1229 3.048,1230 2.887,1231 2.824,1232 4.58,1233 2.826,1234 0.142,1235 0.136,1236 0.221,1237 0.128,1238 0.101,1239 4.961,1240 0.137,1241 4.753,1242 0.025,1243 7.722,1244 0.397,1245 4.469,1246 0.093,1247 3.548,1248 4.793,1249 0.86,1250 13.892,1251 3.244,1252 2.038,1253 2.022,1254 2.099,1255 2.131,1256 1.28,1257 2.131,1258 1.954,1259 1.96,1260 1.983,1261 2.038,1262 1.18,1263 2.06,1264 1.841,1265 1.805,1266 1.956,1267 1.957,1268 1.058,1269 1.963,1270 1.587,1271 1.566,1272 1.71,1273 1.749,1274 0.885,1275 1.758,1276 1.402,1277 1.411,1278 1.567,1279 1.6,1280 0.633,1281 1.605,1282 1.175,1283 1.11,1284 1.434,1285 1.434,1286 0.564,1287 1.466,1288 1.084,1289 1.034,1290 1.209,1291 1.269,1292 0.435,1293 1.305,1294 0.956,1295 0.904,1296 1.148,1297 1.174,1298 0.323,1299 1.168,1300 4.263,1302 5.602,1304 7.148,1306 8.785,1308 10.469,1310 1.534,1312 14.4,1314 10.491,1315 -0.294,1318 5.233,1321 1.088,1326 35.235,1327 93.187,1328 190.533,1329 242.449,1330 279.668,1331 285.668,1332 285.668,1333 83.335,1334 7.577,1335 92.62,1336 101,1337 24,1338 12.764,1339 4.7,1340 3.858,1341 51.353,1342 117,1343 140,1344 0.203,1345 218.316,1346 377.12,1347 524.452,1348 18588,1349 1.9,1350 22.717,1351 0.71,1352 0.561,1353 22.097,1354 17.959,1355 15.379,1356 0.439,1357 0.318,1358 9.642,1359 13.946,1360 9.297,1361 7.707,1362 15.757,1363 11.125,1364 14.178,1365 0.284,1366 0.18,1367 14.964,1368 9.001,1369 11.96,1370 0.181,1371 0.103,1372 12.864,1373 6.786,1374 9.632,1375 0.115,1376 0.057,1377 10.191,1378 4.807,1379 7.994,1380 0.073,1381 0.032,1382 8.909,1383 3.475,1384 0.311,1385 105.183,1386 0.208,1387 29.321,1388 0.585,1389 170,1390 613.263,1391 228.975,1392 583.47,1393 777.68,1394 538,1395 201,1396 529.872,1397 270.29,1398 570.761,1399 831.6,1400 532,1401 5.217}
{0 CHEMBL1599915,1 1.619,2 11.5,3 3.08,4 9.486,5 112.329,6 7.989,7 0.353,8 4.077,9 4.169,10 3.712,11 3.564,12 5.206,13 3.589,14 4.628,15 4.77,16 4.09,17 3.952,18 5.753,19 3.97,20 4.807,21 4.955,22 4.199,23 4.126,24 5.913,25 4.122,26 4.855,27 5.015,28 4.12,29 4.144,30 5.964,31 4.101,32 4.914,33 5.117,34 4.005,35 4.075,36 5.955,37 4.017,38 4.785,39 4.99,40 3.938,41 3.939,42 5.847,43 3.895,44 4.739,45 4.955,46 3.886,47 3.859,48 5.843,49 3.822,50 4.641,51 4.849,52 3.808,53 3.816,54 5.762,55 3.758,56 0.109,57 0.735,58 9.384,59 4.631,60 7.531,61 5.33,62 0.555,63 1.182,64 20.222,65 7.667,66 35.183,67 8.924,68 0.66,69 1.418,70 23.972,71 9.194,72 34.768,73 11.048,74 0.515,75 1.487,76 24.821,77 10.283,78 39.972,79 12.724,80 0.736,81 1.493,82 30.06,83 10.429,84 56.926,85 13.416,86 0.579,87 1.332,88 26.019,89 8.947,90 41.737,91 11.773,92 0.749,93 1.241,94 26.086,95 8.26,96 56.779,97 10.989,98 0.672,99 1.127,100 22.896,101 8.144,102 50.984,103 10.935,104 14,105 49,106 0.27,107 0.617,108 0.765,109 0.829,110 0.842,111 0.856,112 3.441,113 0.856,114 -2.99,115 -2.99,116 -2.89,120 43.1,122 1,125 2,126 3,136 1,139 1,143 5,144 2,145 5,159 1,160 1,174 5,176 3,177 8,180 1,182 3,185 6,188 2,189 9,194 1,197 5,201 12,204 3,206 1,209 4,213 1,214 7,217 1,219 2,222 1,226 2,227 8,232 2,235 2,239 3,240 3,243 1,247 5,251 4,252 1,255 1,260 6,263 2,264 5,271 2,274 1404,275 20.79,276 20.79,277 20.79,278 20.79,279 20.79,280 18.884,281 33.794,282 12,283 21.605,284 16.69,285 16.69,286 16.69,287 16.69,288 16.69,289 13.405,290 48.495,291 5.55,292 17.81,293 4.053,294 1.969,295 1.081,296 0.696,297 0.618,298 0.539,299 4.155,306 1,307 1,308 768,309 2.915,313 323.187,317 322.008,320 1.7,321 31.397,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66.5,333 345,334 4.565,335 3.782,336 6.825,337 4.219,338 3.252,339 4.192,340 1.741,341 11.326,342 3.149,343 4.29,344 3.29,345 6.232,346 3.881,347 2.936,348 3.923,349 0.86,350 9.331,351 2.771,352 4.198,353 3.259,354 6.185,355 3.802,356 2.858,357 3.651,358 0.86,359 9.23,360 2.69,361 3.809,362 2.929,363 5.871,364 3.431,365 2.491,366 3.153,367 0.86,368 8.011,369 2.333,370 3.623,371 2.855,372 5.504,373 3.299,374 2.345,375 2.888,376 0.86,377 7.364,378 2.219,379 3.356,380 2.367,381 5.119,382 2.969,383 1.995,384 2.534,385 0.803,386 5.937,387 1.942,388 3.28,389 2.282,390 4.984,391 2.862,392 1.909,393 2.457,394 0.501,395 5.811,396 1.811,397 2.933,398 2.172,399 4.542,400 2.53,401 1.618,402 2.061,403 0.056,404 4.399,405 1.469,406 2.923,407 2.166,408 4.411,409 2.49,410 1.551,411 2.019,413 4.358,414 1.448,415 2.478,416 1.802,417 4.036,418 2.32,419 1.402,420 1.476,422 3.199,423 1.274,424 2.417,425 1.763,426 3.617,427 2.22,428 1.268,429 1.379,431 2.994,432 1.191,433 1.947,434 1.046,435 3.352,436 1.614,437 0.711,438 0.842,440 1.646,441 0.636,442 1.906,443 1.015,444 3.175,445 1.541,446 0.63,447 0.752,449 1.345,450 0.568,451 1.508,452 0.948,453 3.008,454 1.243,455 0.384,456 0.415,458 0.574,459 0.326,460 1.393,461 0.682,462 2.819,463 1.067,464 0.13,465 0.15,467 0.311,468 0.121,469 13.867,470 0.462,471 0.687,472 0.023,473 40,474 1.333,475 19,476 0.633,477 21,478 0.7,479 24.105,480 0.803,481 32.333,482 0.634,483 31.56,484 1.052,485 8.161,486 0.272,487 6.496,488 0.217,489 0.096,491 0.389,496 0.857,497 1.394,498 0.694,499 1.179,500 0.643,501 0.945,502 1.17,503 0.91,504 0.827,505 0.803,506 0.729,507 0.75,508 1.018,509 1.055,510 0.928,511 0.941,512 0.823,513 0.908,514 0.872,515 1.243,516 1.066,517 1.249,518 1.087,519 1.216,520 1.058,521 1.061,522 1.083,523 1.003,524 1.297,525 1.042,526 0.945,527 1.15,528 0.982,529 1.059,530 1,531 1.029,532 0.949,533 0.868,534 0.932,535 0.83,536 1.211,537 0.855,538 0.631,539 0.933,540 0.869,541 0.968,542 0.847,543 0.971,544 6,545 0.136,546 3.333,547 2.063,548 2.329,549 1.049,550 0.788,551 0.507,552 0.352,553 0.244,554 12122,555 33837,556 2.165,557 41.2,559 18,562 1,564 2,567 1.729,568 2.045,569 3.491,570 -0.316,571 1,572 1,575 82.583,576 1.619,577 3.703,578 4.592,579 4.976,580 5.055,581 5.133,582 2.933,583 4.415,584 4.878,585 3.622,586 1575.71,587 8.516,588 21306.8,590 1,592 1,593 289.294,594 1.347,595 4.848,596 0.176,597 0.006,598 0.068,599 0.038,600 0.049,601 0.025,602 0.02,603 0.014,604 0.01,605 0.008,606 0.415,607 0.33,608 0.88,609 0.756,610 152.916,611 -0.063,612 -0.247,613 0.075,614 -0.142,615 -0.043,616 -0.025,617 -0.081,618 0.161,619 0.084,620 0.178,621 0.045,622 0.165,623 -0.038,624 0.017,625 -0.032,626 0.047,627 -0.028,628 0.022,629 -0.037,630 -0.194,631 -0.182,632 -0.244,633 -0.076,634 -0.254,635 -0.109,636 -0.07,637 -0.104,638 -0.032,639 -0.16,640 -0.064,641 -0.039,642 -0.137,643 -0.008,644 -0.099,645 0.003,646 -0.056,647 0.046,648 0.138,649 0.082,650 0.11,651 0.057,652 0.11,653 0.242,654 0.055,655 0.109,656 0.013,657 0.221,658 0.027,659 1.965,660 5.706,661 0.8,662 27.893,663 1.018,664 1.123,665 1.762,666 3.104,667 0.669,668 3.555,669 3.912,670 4.248,671 4.564,672 4.875,673 5.011,674 5.187,675 5.38,676 5.545,677 5.591,678 6.645,679 0.654,680 407.46,681 3.555,682 5.118,683 5.999,684 6.901,685 7.797,686 8.704,687 9.606,688 10.515,689 11.42,690 12.332,691 5.9,696 1,698 1,700 1,709 5,714 7,716 12,729 1,735 4,738 51,739 15,740 2,741 34,743 55,744 22,745 12,746 7,747 5,748 4,752 5,753 9,763 1,766 1,768 16,769 6,772 3,778 1,780 1,781 1,782 3,786 1,789 21,790 8,791 1,792 8,797 3,799 1,803 0.4,804 5,823 5,827 3,845 2,855 2,859 2,862 30,869 4,871 1,872 4,875 1,886 9.8,889 1,891 4,893 14.667,894 9.983,895 6.583,896 2.953,898 3.049,899 1.359,900 1.005,901 5.045,902 11.541,903 3.784,904 4.382,905 4.98,906 5.55,907 6.114,908 6.425,909 6.777,910 7.168,911 7.547,912 7.828,913 0.875,914 54,915 11.093,917 4.797,918 7.739,919 21.102,921 17.468,924 2.239,925 67.167,928 1,929 235.422,930 131.911,931 37.921,933 69.144,936 131.911,937 304.567,938 37.921,939 21.766,940 16.949,941 56.857,942 48.24,943 90.887,944 4.276,945 235.422,947 235.422,948 169.831,949 69.144,952 211.88,953 92.687,956 33.735,957 105.853,958 30.244,960 235.422,961 107.065,962 131.911,965 235.422,966 53.287,967 81.748,968 18.011,969 85.93,970 235.422,971 107.065,972 131.911,973 0.583,974 0.359,975 0.204,976 0.116,977 26,978 11,979 0.073,980 4,981 3,982 1.25,983 4.109,984 285.79,985 0.25,986 24,987 145.207,993 19.273,994 7.852,995 3.538,997 107.065,998 9.431,1003 5.473,1005 18.011,1006 474.398,1007 43,1013 12.706,1015 1.877,1016 4.211,1017 0.954,1020 51.894,1021 57.279,1022 0.285,1023 0.653,1024 0.809,1025 0.877,1026 0.891,1027 0.905,1028 5.056,1029 1.618,1030 5.994,1031 5.811,1032 4.595,1033 5.069,1034 2.624,1035 6.845,1036 4.482,1037 6.264,1038 1.551,1039 7.574,1040 4.399,1041 4.205,1042 4.924,1043 1.305,1044 7.789,1045 4.062,1046 7.587,1047 1.402,1048 9.251,1049 4.358,1050 6.229,1051 7.246,1052 2.937,1053 10.911,1054 6.023,1055 8.942,1056 1.268,1057 10.984,1058 3.199,1059 6.648,1060 7.887,1061 2.535,1062 12.661,1063 6.408,1064 10.328,1065 0.711,1066 12.753,1067 2.994,1068 8.137,1069 9.7,1070 3.646,1071 15.304,1072 7.851,1073 11.734,1074 0.63,1075 14.546,1076 1.646,1077 8.938,1078 10.709,1079 3.736,1080 17.406,1081 8.616,1082 13.156,1083 0.384,1084 16.357,1085 1.345,1086 10.212,1087 12.308,1088 4.583,1089 19.884,1090 9.852,1091 3.252,1092 0.13,1093 18.182,1094 0.574,1095 11.197,1096 13.504,1097 4.903,1098 22.148,1099 10.802,1100 2.936,1101 11.326,1102 20.018,1103 0.311,1104 12.385,1105 15.003,1106 5.618,1107 24.571,1108 11.957,1109 2.858,1110 9.331,1111 21.864,1112 4.192,1113 13.457,1114 16.297,1115 6.047,1116 26.912,1117 12.996,1118 2.491,1119 9.23,1120 23.717,1121 3.923,1122 14.615,1123 17.75,1124 6.692,1125 29.321,1126 14.124,1127 2.345,1128 8.011,1129 25.576,1130 3.651,1131 15.728,1132 19.096,1133 7.176,1134 31.7,1135 15.206,1136 1.995,1137 7.364,1138 27.442,1139 3.153,1140 16.878,1141 20.526,1142 7.782,1143 34.108,1144 16.328,1145 1.909,1146 5.937,1147 29.313,1148 2.888,1149 18.013,1150 21.902,1151 8.297,1152 36.507,1153 17.434,1154 11229,1155 18911,1156 23.175,1157 34.142,1158 51.37,1159 53.101,1160 53.019,1161 50.831,1162 50.962,1163 63.783,1164 13.08,1165 151.674,1166 47.895,1167 5.511,1168 5.782,1169 6.513,1170 5.36,1171 5.252,1172 7.192,1173 3.067,1174 18.734,1175 5.149,1176 12.497,1177 1.511,1178 1.562,1179 1.559,1180 1.495,1181 1.499,1182 1.876,1183 0.385,1184 4.461,1185 1.409,1186 4.059,1187 4.085,1188 4.02,1189 3.964,1190 7.432,1191 3.973,1192 3.937,1193 3.952,1194 3.892,1195 3.835,1196 4.976,1197 3.845,1198 3.713,1199 3.74,1200 3.68,1201 3.526,1202 4.92,1203 3.559,1204 3.477,1205 3.528,1206 3.357,1207 3.267,1208 4.681,1209 3.278,1210 3.373,1211 3.429,1212 3.241,1213 3.205,1214 4.495,1215 3.202,1216 3.247,1217 3.313,1218 3.083,1219 2.968,1220 4.379,1221 2.985,1222 3.18,1223 3.248,1224 3.028,1225 2.924,1226 4.241,1227 2.933,1228 2.984,1229 3.046,1230 2.864,1231 2.793,1232 4.205,1233 2.801,1234 0.134,1235 0.111,1236 0.201,1237 0.124,1238 0.096,1239 4.565,1240 0.123,1241 3.782,1242 0.051,1243 6.825,1244 0.333,1245 4.219,1246 0.093,1247 3.252,1248 4.192,1249 1.741,1250 11.326,1251 3.149,1252 1.993,1253 1.972,1254 2.075,1255 2.109,1256 1.32,1257 2.097,1258 1.889,1259 1.873,1260 1.982,1261 2.022,1262 1.108,1263 2.008,1264 1.613,1265 1.583,1266 1.727,1267 1.828,1268 0.924,1269 1.793,1270 1.426,1271 1.374,1272 1.683,1273 1.666,1274 0.866,1275 1.671,1276 1.354,1277 1.297,1278 1.588,1279 1.559,1280 0.718,1281 1.572,1282 1.189,1283 1.114,1284 1.567,1285 1.52,1286 0.574,1287 1.536,1288 1.146,1289 1.069,1290 1.505,1291 1.41,1292 0.559,1293 1.444,1294 0.933,1295 0.875,1296 1.158,1297 1.172,1298 0.237,1299 1.164,1300 4.234,1302 5.58,1304 7.141,1306 8.803,1308 10.517,1310 3.215,1315 2.334,1317 3.211,1318 22.07,1321 1.684,1326 33.379,1327 82.583,1328 188.871,1329 234.174,1330 253.784,1331 257.784,1332 261.784,1333 43.262,1334 8.492,1335 83.84,1336 83.84,1337 30,1338 12.847,1339 4,1340 3.322,1341 41.579,1342 120,1343 120,1344 0.17,1345 198.853,1346 358.75,1347 476.96,1348 63024,1350 20.665,1351 0.689,1352 0.558,1353 20.665,1354 16.728,1355 14.657,1356 0.431,1357 0.285,1358 9.477,1359 13.803,1360 9.268,1361 7.615,1362 14.657,1363 9.699,1364 13.171,1365 0.269,1366 0.144,1367 13.171,1368 7.059,1369 11.828,1370 0.171,1371 0.077,1372 11.828,1373 5.316,1374 10.371,1375 0.109,1376 0.041,1377 10.371,1378 3.877,1379 8.911,1380 0.069,1381 0.022,1382 8.911,1383 2.828,1384 0.265,1385 93.918,1386 0.208,1387 28.08,1388 0.472,1389 166,1390 546.301,1391 188.134,1392 504.747,1393 698.07,1394 478,1395 201,1396 519.228,1397 223.774,1398 518.968,1399 769.09,1400 487,1401 5.691}
{0 CHEMBL1600399,1 1.639,2 9.897,3 3.263,4 10.65,5 108.581,6 7.754,7 0.375,8 4.041,9 4.154,10 3.636,11 3.572,12 5.183,13 3.569,14 4.59,15 4.75,16 4.01,17 3.977,18 5.765,19 3.95,20 4.856,21 5.048,22 4.112,23 4.161,24 5.93,25 4.11,26 4.977,27 5.18,28 4.134,29 4.182,30 6.086,31 4.124,32 5.012,33 5.219,34 4.154,35 4.189,36 6.13,37 4.135,38 5.031,39 5.244,40 4.177,41 4.164,42 6.28,43 4.12,44 5.008,45 5.227,46 4.091,47 4.096,48 6.183,49 4.059,50 4.896,51 5.1,52 3.983,53 3.991,54 6.305,55 3.933,56 0.076,57 0.805,58 9.673,59 4.661,60 10.127,61 5.711,62 0.436,63 1.309,64 19.318,65 7.836,66 37.432,67 9.997,68 0.378,69 1.669,70 26.558,71 10.501,72 53.258,73 13.563,74 0.666,75 1.718,76 31.614,77 11.31,78 77.995,79 14.891,80 0.696,81 1.691,82 33.3,83 11.592,84 74.728,85 15.33,86 0.809,87 1.763,88 34.625,89 11.514,90 111.41,91 15.271,92 0.7,93 1.694,94 34.868,95 11.238,96 92.736,97 14.315,98 1.013,99 1.517,100 31.14,101 10.532,102 158.128,103 13.323,104 19,105 45,106 0.274,107 0.631,108 0.8,109 0.865,110 0.881,111 0.881,112 3.409,113 0.894,114 -4.07,115 -4.02,116 -3.81,120 43.1,122 2,125 1,126 2,128 1,137 1,139 1,143 8,144 2,145 2,159 1,160 1,174 10,176 1,177 5,180 2,181 1,182 3,185 11,189 4,192 1,194 2,197 9,201 5,204 4,206 3,209 5,213 3,214 7,217 1,219 5,222 4,226 2,227 8,232 5,235 3,240 11,245 4,247 4,252 9,257 3,260 9,264 3,269 1,271 13,274 1348,275 19.731,276 19.731,277 19.731,278 19.731,279 19.731,280 17.722,281 24.624,282 11.586,283 20.136,284 15.741,285 15.741,286 15.741,287 15.741,288 15.741,289 12.587,290 28.84,291 5.418,292 16.282,293 4.034,294 1.902,295 0.892,296 0.5,297 0.407,298 0.407,299 4.105,306 1,307 1,308 622,309 3.082,313 320.166,317 121.616,320 1.424,321 37.51,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 64,333 287,334 4.515,335 3.853,336 6.887,337 4.212,338 3.233,339 3.95,340 1.674,341 11.525,342 3.162,343 4.299,344 3.529,345 6.508,346 3.986,347 3.02,348 3.858,349 1.673,350 10.213,351 2.92,352 4,353 3.289,354 5.871,355 3.58,356 2.602,357 3.565,358 1.149,359 8.1,360 2.542,361 3.621,362 3.131,363 5.324,364 3.277,365 2.299,366 2.822,367 0.964,368 6.599,369 2.226,370 3.499,371 2.857,372 5.135,373 3.179,374 2.233,375 2.738,376 0.508,377 6.228,378 2.099,379 3.341,380 2.685,381 5.027,382 3.031,383 2.072,384 2.474,386 5.933,387 1.968,388 3.104,389 2.253,390 4.738,391 2.699,392 1.729,393 2.197,395 4.902,396 1.66,397 2.943,398 1.747,399 4.352,400 2.614,401 1.618,402 2.099,404 3.771,405 1.612,406 2.602,407 1.712,408 4.143,409 2.28,410 1.322,411 1.613,413 3.708,414 1.263,415 2.501,416 1.461,417 3.595,418 2.253,419 1.267,420 1.5,422 2.827,423 1.24,424 2.5,425 1.315,426 3.414,427 2,428 1,429 1.494,431 2.275,432 1,433 2.144,434 1,435 3.392,436 1.878,437 0.897,438 1.085,440 2.116,441 0.878,442 1.529,443 0.994,444 3.16,445 1.295,446 0.394,447 0.422,449 0.726,450 0.349,451 1.378,452 0.937,453 2.833,454 1.002,455 0.033,456 0.037,458 0.072,459 0.032,460 1.112,461 0.545,462 2.556,463 0.839,464 -0.122,465 -0.15,467 -0.267,468 -0.111,469 13.486,470 0.465,471 0.695,472 0.024,473 36,474 1.241,475 17,476 0.586,477 19,478 0.655,479 25.121,480 0.866,481 31.514,482 0.618,483 29.983,484 1.034,485 7.432,486 0.256,487 6.631,488 0.229,489 0.108,491 0.363,494 1,496 0.674,497 1.161,498 0.727,499 1.072,500 0.52,501 0.937,502 0.668,503 0.987,504 0.836,505 0.948,506 0.492,507 0.934,508 0.819,509 1.091,510 0.942,511 1.084,512 0.793,513 1.045,514 0.882,515 0.973,516 1.011,517 1.048,518 0.917,519 1.057,520 0.908,521 0.858,522 0.968,523 0.985,524 0.857,525 0.992,526 0.947,527 0.917,528 0.948,529 0.99,530 0.882,531 0.965,532 1.303,533 0.929,534 1.022,535 0.915,536 1.253,537 0.897,538 1.069,539 0.924,540 1.068,541 1.025,542 1.15,543 1.05,544 5.5,545 0.082,546 3.333,547 2.188,548 1.902,549 1.257,550 0.812,551 0.712,552 0.341,553 0.149,554 9654,555 28209,556 2.09,557 43.1,558 2,559 16,562 2,564 2,567 1.728,568 1.955,569 3.24,570 0.228,571 1,572 1,575 83.569,576 1.639,577 3.77,578 4.78,579 5.172,580 5.265,581 5.265,582 2.708,583 4.651,584 4.831,585 3.388,586 1375.66,587 8.46,588 17969.1,590 1,592 1,593 289.294,594 1.416,595 4.788,596 0.172,597 0.006,598 0.074,599 0.045,600 0.04,601 0.026,602 0.017,603 0.016,604 0.009,605 0.006,606 0.409,607 0.33,608 1,609 0.897,610 144.069,611 -0.048,612 -0.1,613 0.04,614 -0.028,615 -0.025,616 0.019,617 0.106,618 0.021,619 0.023,620 0.048,621 0.095,622 0.017,623 -0.058,624 -0.074,625 -0.047,626 -0.085,627 -0.042,628 -0.066,629 0.002,630 -0.049,631 -0.071,632 -0.084,633 -0.055,634 -0.095,635 -0.016,636 -0.032,637 -0.016,638 -0.034,639 -0.037,640 -0.031,641 0.045,642 -0.028,643 0.033,644 -0.045,645 0.089,646 -0.011,647 -0.174,648 -0.028,649 -0.004,650 0.026,651 -0.114,652 0.053,653 0.154,654 0.023,655 -0.048,656 -0.054,657 0.176,658 -0.093,659 2.202,660 5.658,661 0.759,662 23.294,663 1.012,664 1.13,665 2.841,666 8.073,667 0.665,668 3.497,669 3.829,670 4.127,671 4.431,672 4.71,673 4.779,674 4.883,675 5.024,676 5.088,677 5.106,678 5.894,679 0.644,680 395.47,681 3.497,682 5.043,683 5.905,684 6.797,685 7.68,686 8.579,687 9.47,688 10.372,689 11.265,690 12.169,691 5.9,697 1,698 2,709 8,714 4,716 12,732 1,737 1,738 51,739 15,740 2,741 32,743 54,744 22,745 12,746 4,747 8,748 3,752 4,753 5,757 1,763 3,766 3,768 16,769 6,772 3,778 2,782 4,786 1,787 1,789 22,790 7,791 2,792 7,797 3,803 0.75,804 3,823 4,827 1,841 1,845 1,846 1,855 3,859 1,861 1,862 29,869 4,871 2,872 1,874 1,875 1,885 1,886 5.9,889 2,891 1,893 14.833,894 9.343,895 6.417,896 3.008,898 2.362,899 1.307,900 0.992,901 5.654,902 10.047,903 3.738,904 4.29,905 4.804,906 5.317,907 5.815,908 5.951,909 6.212,910 6.56,911 6.797,912 6.95,913 0.857,914 49,915 10.816,917 4.733,918 7.954,919 20.309,921 16.897,924 2.454,925 71.167,928 1,929 235.422,930 131.632,931 39.146,933 61.29,934 14.96,936 131.632,937 296.712,938 54.106,939 10.883,940 45.302,941 75.81,942 60.238,943 35.559,944 19.236,945 235.422,947 235.422,948 170.778,949 76.25,952 226.84,953 84.832,956 45.302,957 122.719,958 2.757,960 250.382,961 100.436,962 131.632,965 235.422,966 44.939,967 89.817,968 36.022,969 76.25,970 235.422,971 115.396,972 131.632,973 0.579,974 0.346,975 0.196,976 0.117,977 22,978 10,979 0.093,980 5,981 1,982 1.091,983 3.889,984 268.029,985 0.091,986 22,987 136.881,993 19.62,994 8.357,995 4.045,997 115.396,998 13.864,1003 2.567,1005 36.022,1006 482.45,1007 41,1013 25.025,1017 -0.132,1020 51.636,1021 57.615,1022 0.289,1023 0.665,1024 0.843,1025 0.912,1026 0.928,1027 0.928,1028 4.99,1029 1.618,1030 5.894,1031 4.902,1032 4.511,1033 4.977,1034 2.739,1035 6.73,1036 4.448,1037 6.183,1038 1.322,1039 7.466,1040 3.771,1041 4.111,1042 4.745,1043 1.568,1044 7.689,1045 4.014,1046 7.489,1047 1.267,1048 9.139,1049 3.708,1050 6.12,1051 7.08,1052 3.429,1053 10.825,1054 6,1055 8.827,1056 1,1057 10.874,1058 2.827,1059 6.538,1060 7.63,1061 2.554,1062 12.643,1063 6.387,1064 10.197,1065 0.897,1066 12.65,1067 2.275,1068 8.023,1069 9.463,1070 4.317,1071 15.306,1072 7.852,1073 11.589,1074 0.394,1075 14.455,1076 2.116,1077 8.83,1078 10.382,1079 3.561,1080 17.48,1081 8.631,1082 13,1083 0.033,1084 16.282,1085 0.726,1086 10.104,1087 11.994,1088 5.283,1089 19.982,1090 9.886,1091 3.233,1092 -0.122,1093 18.126,1094 0.072,1095 11.097,1096 13.105,1097 4.593,1098 22.304,1099 10.853,1100 3.02,1101 11.525,1102 19.983,1103 -0.267,1104 12.289,1105 14.604,1106 6.282,1107 24.751,1108 12.024,1109 2.602,1110 10.213,1111 21.851,1112 3.95,1113 13.368,1114 15.819,1115 5.631,1116 27.133,1117 13.08,1118 2.299,1119 8.1,1120 23.727,1121 3.858,1122 14.531,1123 17.257,1124 7.297,1125 29.565,1126 14.221,1127 2.233,1128 6.599,1129 25.61,1130 3.565,1131 15.65,1132 18.531,1133 6.669,1134 31.973,1135 15.316,1136 2.072,1137 6.228,1138 27.5,1139 2.822,1140 16.804,1141 19.935,1142 8.32,1143 34.401,1144 16.448,1145 1.729,1146 5.933,1147 29.393,1148 2.738,1149 17.942,1150 21.244,1151 7.705,1152 36.822,1153 17.564,1154 9253,1155 15966,1156 21.383,1157 33.932,1158 48.075,1159 49.918,1160 50.006,1161 47.448,1162 47.439,1163 59.706,1164 11.937,1165 137.993,1166 45.903,1167 5.488,1168 5.853,1169 6.576,1170 5.287,1171 5.233,1172 6.95,1173 3.349,1174 18.794,1175 5.162,1176 13.788,1177 1.502,1178 1.56,1179 1.563,1180 1.483,1181 1.482,1182 1.866,1183 0.373,1184 4.312,1185 1.434,1186 4.038,1187 4.075,1188 3.983,1189 3.943,1190 8.201,1191 3.946,1192 3.946,1193 3.977,1194 3.888,1195 3.871,1196 7.435,1197 3.87,1198 3.757,1199 3.789,1200 3.712,1201 3.62,1202 7.428,1203 3.637,1204 3.505,1205 3.569,1206 3.365,1207 3.371,1208 4.762,1209 3.359,1210 3.403,1211 3.425,1212 3.338,1213 3.056,1214 4.663,1215 3.117,1216 3.243,1217 3.317,1218 3.103,1219 3.037,1220 4.509,1221 3.045,1222 3.07,1223 3.115,1224 2.984,1225 2.832,1226 4.33,1227 2.863,1228 2.964,1229 3.034,1230 2.819,1231 2.792,1232 4.083,1233 2.786,1234 0.141,1235 0.12,1236 0.215,1237 0.132,1238 0.101,1239 4.515,1240 0.123,1241 3.853,1242 0.052,1243 6.887,1244 0.36,1245 4.212,1246 0.099,1247 3.233,1248 3.95,1249 1.674,1250 11.525,1251 3.162,1252 1.981,1253 1.949,1254 2.103,1255 2.101,1256 1.372,1257 2.101,1258 1.93,1259 1.905,1260 2.029,1261 2.035,1262 1.219,1263 2.034,1264 1.697,1265 1.668,1266 1.811,1267 1.862,1268 0.965,1269 1.847,1270 1.515,1271 1.454,1272 1.75,1273 1.682,1274 0.931,1275 1.709,1276 1.25,1277 1.204,1278 1.586,1279 1.608,1280 0.667,1281 1.584,1282 1.197,1283 1.127,1284 1.44,1285 1.451,1286 0.576,1287 1.456,1288 0.972,1289 0.931,1290 1.246,1291 1.251,1292 0.472,1293 1.224,1294 0.944,1295 0.879,1296 1.181,1297 1.165,1298 0.218,1299 1.186,1300 4.174,1302 5.501,1304 7.038,1306 8.673,1308 10.361,1310 1.307,1312 13.369,1315 3.18,1317 5.538,1318 5.009,1320 -0.716,1321 2.157,1326 32.86,1327 83.569,1328 192.274,1329 243.784,1330 263.784,1331 268.539,1332 268.539,1333 61.325,1334 7.686,1335 70.67,1336 70.67,1337 24,1338 12.69,1339 4,1340 3.322,1341 44.285,1342 100,1343 113,1344 0.213,1345 199.452,1346 359.6,1347 478.422,1348 22501,1349 2,1350 20.38,1351 0.703,1352 0.554,1353 19.51,1354 16.075,1355 14.063,1356 0.439,1357 0.298,1358 9.379,1359 13.437,1360 9.191,1361 7.582,1362 13.669,1363 9.538,1364 12.618,1365 0.28,1366 0.158,1367 11.997,1368 7.121,1369 10.714,1370 0.176,1371 0.087,1372 10.303,1373 5.318,1374 9.128,1375 0.11,1376 0.048,1377 8.976,1378 3.966,1379 7.859,1380 0.071,1381 0.026,1382 7.629,1383 2.896,1384 0.324,1385 88.905,1386 0.216,1387 26.883,1388 0.622,1389 154,1390 521.629,1391 171.936,1392 471.785,1393 628.86,1394 440,1395 183,1396 447.194,1397 199.577,1398 446.687,1399 655.43,1400 419,1401 5.052}
{0 CHEMBL1600933,1 1.559,2 7.118,3 1.78,4 3.169,5 67.742,6 7.04,7 0.556,8 3.585,9 3.73,10 3.102,11 3.059,12 4.702,13 3.035,14 4.109,15 4.322,16 3.493,17 3.432,18 5.174,19 3.404,20 4.317,21 4.52,22 3.426,23 3.561,24 5.427,25 3.488,26 4.508,27 4.813,28 3.301,29 3.469,30 5.506,31 3.354,32 4.07,33 4.272,34 3.043,35 3.191,36 5.334,37 3.115,38 3.923,39 4.152,40 2.922,41 3.147,42 4.981,43 3.011,44 3.971,45 4.267,46 2.686,47 3.017,48 4.798,49 2.847,50 3.766,51 4.061,52 2.435,53 2.656,54 4.745,55 2.547,56 0.062,57 0.511,58 7.303,59 2.802,60 7.079,61 4.03,62 0.151,63 0.775,64 13.378,65 4.211,66 16.692,67 6.629,68 0.16,69 0.893,70 16.534,71 4.916,72 26.371,73 7.731,74 0.267,75 0.826,76 22.155,77 6.034,78 41.642,79 9.771,80 0.322,81 0.581,82 13.836,83 4.097,84 52.867,85 5.736,86 0.19,87 0.556,88 11.231,89 4.226,90 20.659,91 6.171,92 0.085,93 0.516,94 12.37,95 3.918,96 16.095,97 6.317,98 0.204,99 0.408,100 10.579,101 1.865,102 26.755,103 3.658,104 29,105 27,106 0.293,107 0.622,108 0.704,109 0.731,110 0.731,111 0.731,112 2.908,113 0.914,114 -3.16,115 -3.15,116 -3.03,120 36.4,121 3,125 1,131 1,143 3,144 1,147 1,153 1,159 1,167 2,174 3,176 1,177 3,180 1,182 4,185 5,189 8,194 2,197 1,201 8,206 1,209 3,213 1,217 1,222 6,226 2,230 2,235 3,240 3,252 6,274 289,275 10.602,276 10.602,277 10.602,278 10.602,279 10.602,280 9.328,281 12.263,282 5.962,283 10.737,284 8.871,285 8.871,286 8.871,287 8.871,288 8.871,289 6.901,290 20.692,291 2.83,292 9.082,293 3.485,294 1.736,295 1.297,296 1.153,297 1.153,298 1.153,299 3.548,306 1,307 1,308 247,309 3.464,312 37.78,313 41.606,316 66.237,320 1.197,321 14.508,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 37,333 121,334 4.55,335 3.631,336 6.526,337 4.142,338 3.168,339 4.502,340 1.058,341 10.314,342 3.085,343 4.206,344 3.116,345 6.455,346 4.022,347 3.054,348 3.516,350 10.064,351 2.954,352 3.888,353 3.027,354 5.906,355 3.587,356 2.586,357 3.053,359 8.213,360 2.579,361 3.229,362 2.107,363 4.932,364 2.768,365 1.804,366 2.511,368 5.321,369 1.734,370 2.98,371 1.686,372 4.142,373 2.479,374 1.486,375 2.164,377 3.74,378 1.471,379 2.631,380 1.368,381 4.055,382 2.145,383 1.138,384 1.619,386 3.163,387 1.139,388 2.087,389 0.668,390 3.211,391 1.601,392 0.622,393 0.896,395 1.467,396 0.607,397 0.9,398 0.463,399 2.937,400 0.607,401 -0.368,402 -0.423,404 -1.01,405 -0.355,406 0.864,407 -0.306,408 2.308,409 0.458,410 -0.547,411 -0.718,413 -1.321,414 -0.539,415 0.744,416 -0.642,417 2,418 0.258,419 -0.739,420 -1,422 -2.122,423 -0.74,424 0.175,425 -1,426 2,428 -1,429 -1,431 -3,432 -1,434 -1,435 2,437 -1,438 -1.096,440 -3,441 -1,443 -1.04,444 2,445 -0.215,446 -1.189,447 -1.625,449 -3.21,450 -1.16,451 -0.168,452 -1.196,453 1.587,454 -0.499,455 -1.512,456 -1.914,458 -4.62,459 -1.524,460 -0.319,461 -1.636,462 1.298,463 -0.779,464 -1.715,465 -2.128,467 -5.179,468 -1.61,469 7.933,470 0.467,471 0.72,472 0.042,473 20,474 1.176,475 9.5,476 0.559,477 10.5,478 0.618,479 13.416,480 0.789,481 19.067,482 0.578,483 13.137,484 0.773,485 3.87,486 0.228,487 3.996,488 0.235,489 0.294,490 0.063,491 0.303,496 0.595,497 1.305,498 0.825,499 1.203,500 0.61,501 1.072,502 0.635,503 1.164,504 0.618,505 0.872,506 0.447,507 0.754,508 1.246,509 1.327,510 1.285,511 1.305,512 1.038,513 1.289,514 1.042,515 0.796,516 0.749,517 0.76,518 1.09,519 0.714,520 2.109,521 0.886,522 1.344,523 0.986,524 3.075,525 1.091,526 0.276,527 1.073,528 1.024,529 1.366,530 0.587,531 1.335,532 0.491,533 1.173,534 0.844,535 1.163,536 0.395,537 1.075,538 1.783,539 0.987,540 1.332,541 0.792,542 1.521,543 0.946,544 5.5,546 2.444,547 1.604,548 0.888,549 0.549,550 0.377,551 0.23,552 0.168,554 2113,555 5424,556 1.914,557 48.5,559 6,562 1,564 9,567 1.569,568 1.714,569 2.84,570 -0.198,572 1,573 1,574 1,575 51.445,576 1.559,577 3.309,578 3.748,579 3.892,580 3.892,581 3.892,582 2.307,583 3.572,584 4.061,585 2.983,586 405.639,587 6.861,588 3615.72,590 1,592 1,593 166.465,594 1.809,595 3.954,596 0.306,598 0.091,599 0.07,600 0.044,601 0.037,602 0.029,603 0.023,604 0.024,606 0.623,607 0.83,608 1,609 1.481,610 69.849,611 0.15,612 0.004,613 0.059,614 -0.062,615 -0.055,616 -0.031,617 0.191,618 -0.034,619 0.319,620 0.17,621 0.194,622 0.251,623 -0.258,624 -0.18,625 -0.349,626 -0.294,627 -0.148,628 -0.323,629 -0.006,630 0.023,631 0.258,632 0.164,633 0.08,634 0.249,635 -0.28,636 0.066,637 -0.31,638 0.006,639 -0.419,640 -0.155,641 0.428,642 -0.041,643 -0.116,644 -0.293,645 0.117,646 -0.302,647 0.103,648 -0.306,649 0.094,650 -0.169,651 0.108,652 -0.059,653 -0.427,654 -0.063,655 -0.284,656 -0.016,657 -0.298,658 -0.109,659 1.759,660 4.945,661 0.529,662 10.235,663 1.001,664 1.142,665 1.927,666 3.715,667 0.638,668 2.944,669 3.332,670 3.466,671 3.714,672 3.807,673 3.85,674 3.97,675 3.932,676 3.738,677 3.219,678 4.437,679 0.605,680 232.32,681 2.944,682 4.511,683 5.333,684 6.236,685 7.079,686 7.98,687 8.834,688 9.732,689 10.593,690 11.489,691 12.1,698 1,699 1,701 2,708 2,709 3,710 2,714 1,715 1,716 10,723 1,738 33,739 11,740 1,741 18,743 34,744 12,745 6,746 3,747 3,748 1,752 2,753 3,759 3,768 7,769 5,770 1,772 1,778 1,782 1,786 1,789 16,790 4,791 1,792 5,797 4,803 0.5,804 1,822 1,823 1,826 1,855 1,859 4,862 17,871 1,876 1,883 1,886 3,889 1,893 9.917,894 7.267,895 3.542,896 1.866,898 2.143,899 1.356,900 0.918,901 2.817,902 8.164,903 3.219,904 3.876,905 4.438,906 5.053,907 5.511,908 5.879,909 6.3,910 6.517,911 6.254,912 6.033,913 0.8,914 23,915 6.254,917 2.587,918 7.819,919 11.815,921 9.373,924 2.319,925 39.417,926 0.002,929 176.567,930 75.479,931 52.991,933 25.145,936 75.479,937 201.711,938 52.991,939 34.872,940 18.011,941 28.429,942 63.053,943 7.106,944 2.144,945 176.567,947 176.567,948 128.47,949 25.145,952 70.627,953 131.085,956 48.407,957 46.859,958 33.203,960 176.567,961 78.136,962 75.479,965 176.567,966 12.178,967 65.077,968 18.011,969 58.348,970 176.567,971 78.136,972 75.479,973 0.608,974 0.311,975 0.161,976 0.079,977 14,978 7,979 0.059,980 2,981 1,982 1.222,983 2.817,984 115.971,985 0.222,986 9,987 64.732,993 11.901,994 4.024,995 2.574,996 1.645,997 76.359,998 5.392,999 7.896,1003 0.605,1004 1.681,1005 18.011,1006 330.182,1007 24,1013 11.945,1017 -0.093,1020 33.036,1021 37.694,1022 0.309,1023 0.656,1024 0.743,1025 0.771,1026 0.771,1027 0.771,1028 4.483,1029 -0.368,1030 5.416,1031 1.467,1032 4.007,1033 4.559,1034 1.176,1035 6.279,1036 3.963,1037 5.758,1038 -0.547,1039 7.024,1040 -1.01,1041 4.007,1042 4.649,1044 7.506,1045 3.938,1046 7.113,1047 -0.739,1048 8.734,1049 -1.321,1050 5.74,1051 6.858,1052 1.255,1053 10.419,1054 5.642,1055 8.499,1056 -1,1057 10.498,1058 -2.122,1059 6.431,1060 7.695,1062 12.325,1063 6.305,1064 9.909,1065 -1,1066 12.293,1067 -3,1068 7.771,1069 9.479,1070 1.338,1071 14.847,1072 7.618,1073 11.337,1074 -1.189,1075 14.107,1076 -3,1077 8.726,1078 10.665,1080 16.998,1081 8.542,1082 12.779,1083 -1.512,1084 15.933,1085 -3.21,1086 9.931,1087 12.278,1088 1.422,1089 19.39,1090 9.721,1091 3.168,1092 -1.715,1093 17.769,1094 -4.62,1095 10.991,1096 13.632,1098 21.638,1099 10.748,1100 3.054,1101 10.314,1102 19.611,1103 -5.179,1104 12.149,1105 15.176,1106 1.51,1107 23.984,1108 11.878,1109 2.586,1110 10.064,1111 21.457,1112 4.502,1113 13.251,1114 16.61,1116 26.272,1117 12.949,1118 1.804,1119 8.213,1120 23.308,1121 3.516,1122 14.393,1123 18.127,1124 1.599,1125 28.601,1126 14.062,1127 1.486,1128 5.321,1129 25.161,1130 3.053,1131 15.514,1132 19.597,1134 30.907,1135 15.152,1136 1.138,1137 3.74,1138 27.016,1139 2.511,1140 16.651,1141 21.104,1142 1.69,1143 33.231,1144 16.26,1145 0.622,1146 3.163,1147 28.874,1148 2.164,1149 17.781,1150 22.592,1152 35.546,1153 17.36,1154 2225,1155 3683,1156 11.038,1157 21.046,1158 28.473,1159 28.933,1160 28.455,1161 27.723,1162 27.715,1163 36.522,1164 2.117,1165 84.563,1166 27.138,1167 5.393,1168 5.631,1169 5.811,1170 5.149,1171 5.168,1172 7.502,1173 2.117,1174 17.073,1175 5.085,1176 10.62,1177 1.582,1178 1.607,1179 1.581,1180 1.54,1181 1.54,1182 2.029,1183 0.118,1184 4.698,1185 1.508,1186 4.099,1187 4.146,1188 4.071,1189 3.967,1190 7.429,1191 3.985,1192 3.76,1193 3.827,1194 3.657,1195 3.592,1196 5.153,1197 3.592,1198 3.483,1199 3.542,1200 3.39,1201 3.271,1202 4.424,1203 3.299,1204 3.086,1205 3.156,1206 2.947,1207 2.827,1208 4.323,1209 2.839,1210 2.985,1211 3.057,1212 2.863,1213 2.816,1214 3.94,1215 2.817,1216 2.874,1217 3.009,1218 2.499,1219 2.618,1220 3.552,1221 2.57,1222 2.874,1223 3.009,1224 2.499,1225 2.618,1226 3.467,1227 2.57,1228 2.649,1229 2.746,1230 2.44,1231 2.38,1232 3.467,1233 2.394,1234 0.253,1235 0.202,1236 0.363,1237 0.23,1238 0.176,1239 4.55,1240 0.25,1241 3.631,1242 0.059,1243 6.526,1244 0.573,1245 4.142,1246 0.171,1247 3.168,1248 4.502,1249 1.058,1250 10.314,1251 3.085,1252 1.94,1253 1.916,1254 2.026,1255 2.047,1256 1.178,1257 2.041,1258 1.72,1259 1.657,1260 1.953,1261 1.907,1262 1.124,1263 1.924,1264 1.413,1265 1.328,1266 1.659,1267 1.728,1268 0.701,1269 1.701,1270 1.082,1271 1.043,1272 1.417,1273 1.368,1274 0.469,1275 1.315,1276 0.947,1277 0.876,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.804,1284 1.218,1285 1.239,1286 0.245,1287 1.308,1288 0.934,1289 0.804,1290 1.17,1291 1.191,1292 0.19,1293 1.2,1294 0.535,1295 0.45,1296 0.823,1297 0.842,1299 0.85,1300 3.611,1302 4.977,1303 2.398,1304 6.503,1305 4.727,1306 8.101,1307 6.804,1308 9.74,1310 7.674,1317 2.913,1322 -0.242,1326 19.961,1327 51.445,1328 109.181,1329 123.671,1330 128.426,1331 128.426,1332 128.426,1333 27.341,1334 6.021,1335 59.81,1336 59.81,1337 11,1338 12.021,1339 3.585,1340 2.807,1341 28.481,1342 45,1343 37,1344 0.327,1345 127.628,1346 209.23,1347 303.173,1348 2434,1350 12.629,1351 0.743,1352 0.617,1353 12.629,1354 10.482,1355 7.866,1356 0.437,1357 0.305,1358 5.4,1359 7.495,1360 5.075,1361 4.344,1362 7.866,1363 5.487,1364 8.294,1365 0.307,1366 0.19,1367 8.294,1368 5.121,1369 5.545,1370 0.179,1371 0.076,1372 5.545,1373 2.361,1374 4.745,1375 0.119,1376 0.04,1377 4.745,1378 1.595,1379 3.232,1380 0.073,1381 0.022,1382 3.232,1383 0.955,1384 0.496,1385 49.722,1386 0.301,1387 16.935,1388 0.944,1389 90,1390 263.004,1391 100.18,1392 257.69,1393 351.09,1394 238,1395 103,1396 268.349,1397 113.542,1398 272.968,1399 389.29,1400 252,1401 4.076}
{0 CHEMBL1601809,1 1.784,2 13.733,3 2.544,4 6.471,5 110.835,6 8.383,7 0.515,8 4.056,9 4.154,10 3.858,11 3.605,12 5.171,13 3.584,14 4.607,15 4.755,16 4.184,17 3.998,18 5.907,19 3.956,20 4.859,21 5.047,22 4.218,23 4.135,24 6.009,25 4.05,26 4.965,27 5.171,28 4.117,29 4.036,30 6.246,31 3.972,32 4.781,33 4.996,34 3.948,35 3.868,36 6.011,37 3.826,38 4.537,39 4.718,40 3.852,41 3.79,42 5.681,43 3.731,44 4.581,45 4.789,46 3.753,47 3.709,48 6.009,49 3.643,50 4.34,51 4.535,52 3.659,53 3.587,54 5.493,55 3.531,56 0.149,57 0.816,58 11.494,59 4.844,60 20.094,61 5.44,62 0.585,63 1.28,64 19.449,65 8.056,66 59.005,67 9.743,68 0.526,69 1.55,70 33.955,71 11.898,72 59.336,73 13.739,74 0.962,75 1.519,76 40.025,77 11.851,78 132.329,79 13.597,80 0.823,81 1.257,82 30.075,83 8.919,84 112.435,85 10.609,86 0.409,87 1.107,88 23.266,89 7.641,90 47.387,91 9.094,92 0.83,93 1.048,94 23.389,95 7.457,96 123.126,97 9.439,98 0.308,99 0.882,100 17.391,101 6.155,102 41.169,103 7.832,104 17,105 47,106 0.296,107 0.632,108 0.776,109 0.827,110 0.827,111 0.827,112 3.44,113 1.003,114 -4.1,115 -4.05,116 -3.83,120 39.2,121 1,122 2,123 1,126 2,143 7,144 1,145 1,146 1,147 1,159 1,162 1,163 1,167 1,174 9,176 5,177 5,180 3,182 1,185 8,188 2,189 12,192 1,194 2,197 2,200 3,201 18,206 2,213 1,214 13,217 1,219 1,222 4,227 9,232 1,235 6,239 4,240 4,243 3,245 1,247 7,252 3,260 6,263 6,264 5,269 2,271 6,274 1502,275 20.065,276 20.065,277 20.065,278 20.065,279 20.065,280 17.727,281 16.69,282 11.709,283 20.441,284 16.264,285 16.264,286 16.264,287 16.264,288 16.264,289 12.652,290 21.104,291 5.548,292 16.865,293 3.888,294 1.856,295 0.988,296 0.681,297 0.681,298 0.681,299 4.132,306 1,307 1,308 896,309 3.674,312 95.771,313 337.921,320 2.169,321 43.639,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 66.5,333 412,334 4.931,335 4.725,336 7.666,337 4.435,338 3.512,339 4.759,340 1.058,341 13.611,342 3.216,343 4.308,344 3.571,345 6.19,346 3.912,347 2.943,348 3.961,349 0.4,350 9.256,351 2.857,352 4.136,353 2.92,354 6.044,355 3.773,356 2.776,357 3.666,359 8.654,360 2.756,361 3.739,362 2.682,363 5.588,364 3.425,365 2.446,366 3.253,368 6.895,369 2.394,370 3.505,371 2.399,372 5.293,373 3.276,374 2.318,375 2.729,377 6.663,378 2.215,379 3.331,380 2.21,381 5.007,382 2.963,383 1.984,384 2.427,386 5.768,387 1.935,388 3.105,389 2.011,390 4.413,391 2.675,392 1.711,393 2.327,395 4.363,396 1.645,397 2.777,398 1.729,399 4.268,400 2.434,401 1.46,402 1.806,404 3.897,405 1.41,406 2.612,407 1.341,408 3.943,409 2.148,410 1.167,411 1.594,413 3.05,414 1.141,415 2.5,416 1.144,417 3.473,418 2,419 1,420 1.5,422 2.493,423 1,424 2.5,425 1.077,426 3.414,427 1.984,428 1,429 1.5,431 2.275,432 0.983,433 2.496,434 1,435 3.414,436 1.967,437 1,438 1.433,440 2.275,441 0.963,442 2.168,443 1,444 3.264,445 1.95,446 0.972,447 1.004,449 2.136,450 0.945,451 2,452 0.685,453 3.247,454 1.659,455 0.673,456 1,458 1.647,459 0.663,460 1.011,461 0.396,462 2.951,463 0.775,464 -0.214,465 -0.221,467 -0.475,468 -0.211,469 14.167,470 0.472,471 0.827,472 0.028,473 40.75,474 1.358,475 21,476 0.7,477 19.75,478 0.658,479 23.524,480 0.784,481 32.633,482 0.64,483 31.65,484 1.055,485 7.671,486 0.256,487 6.76,488 0.225,489 0.106,490 0.059,491 0.275,496 0.587,497 1.388,498 0.769,499 1.28,500 0.604,501 0.97,502 0.533,503 1.055,504 0.77,505 0.951,506 0.515,507 0.951,508 0.846,509 1.156,510 1.229,511 1.315,512 0.769,513 1.078,514 1.379,515 1.036,516 1.252,517 1.108,518 1.548,519 0.98,520 1.518,521 0.781,522 0.949,523 0.699,524 1.646,525 0.764,526 1.044,527 1.238,528 1.154,529 1.269,530 0.887,531 1.115,532 0.927,533 0.789,534 0.914,535 0.803,536 1.018,537 0.933,538 0.877,539 1.134,540 0.78,541 1.069,542 1.048,543 1.023,544 7,545 0.172,546 4.444,547 2.285,548 1.366,549 1.059,550 0.576,551 0.51,552 0.273,553 0.182,554 13394,555 38694,556 2.079,557 41.2,558 4,559 11,561 1,562 1,564 4,567 1.722,568 1.946,569 3.715,570 -0.25,571 1,572 1,575 91.007,576 1.784,577 3.816,578 4.684,579 4.991,580 4.991,581 4.991,582 3.219,583 4.19,584 4.877,585 3.888,586 1691.34,587 8.475,588 24415.1,590 1,592 1,593 289.294,594 1.524,595 4.832,596 0.212,597 0.007,598 0.095,599 0.049,600 0.033,601 0.029,602 0.017,603 0.017,604 0.01,605 0.007,606 0.475,607 0.33,608 1,609 0.551,610 157.123,611 0.074,612 -0.171,613 0.202,614 -0.123,615 -0.083,616 -0.007,617 0.324,618 0.057,619 0.119,620 0.047,621 0.226,622 -0.011,623 0.008,624 -0.116,625 -0.044,626 -0.147,627 0.071,628 -0.053,629 -0.122,630 -0.102,631 -0.096,632 -0.058,633 -0.09,634 0.001,635 -0.238,636 0.134,637 0.025,638 0.209,639 -0.222,640 0.184,641 -0.128,642 -0.21,643 -0.12,644 -0.212,645 -0.079,646 -0.129,647 0.213,648 0.148,649 -0.001,650 0.095,651 0.251,652 0.022,653 -0.026,654 -0.168,655 0.1,656 -0.11,657 -0.079,658 -0.023,659 4.477,660 5.79,661 0.767,662 33.013,663 1.019,664 1.129,665 2.871,666 8.241,667 0.678,668 3.526,669 3.871,670 4.127,671 4.317,672 4.489,673 4.564,674 4.654,675 4.615,676 4.691,677 4.762,678 7.819,679 0.654,680 427.53,681 3.526,682 5.081,683 5.932,684 6.81,685 7.676,686 8.558,687 9.43,688 10.313,689 11.188,690 12.072,691 9.8,694 1,698 1,701 3,709 8,710 3,712 1,714 5,716 17,723 1,738 51,739 20,740 1,741 33,743 54,744 20,745 13,746 2,747 4,748 1,752 4,753 4,759 1,763 2,764 1,766 2,768 14,769 6,770 1,772 3,776 1,778 3,782 1,786 1,789 21,790 9,791 1,792 10,793 1,797 5,803 1,804 4,816 1,822 1,823 3,855 4,857 1,859 1,862 30,866 1,869 4,871 1,874 1,875 1,886 7.8,889 3,891 1,893 15.417,894 9.383,895 6.472,896 3.101,898 3.099,899 1.407,900 0.987,901 5.844,902 10.714,903 3.818,904 4.422,905 4.941,906 5.432,907 5.85,908 6.124,909 6.522,910 6.574,911 6.908,912 7.176,913 1,914 47,915 11.358,917 5.167,918 7.975,919 20.928,921 17.474,924 2.475,925 74.25,928 1,929 235.422,930 121.103,931 69.641,933 78.965,935 5.807,936 115.296,937 314.387,938 69.641,939 8.825,940 27.291,941 72.141,942 141.065,943 32.158,945 223.651,947 235.422,948 184.937,949 78.965,950 5.807,952 188.338,953 126.05,956 59.05,957 75.775,958 55.919,960 235.422,961 148.606,962 121.103,964 5.807,965 235.422,966 31.089,967 85.725,968 18.011,969 129.077,970 235.422,971 148.606,972 121.103,973 0.591,974 0.344,975 0.172,976 0.089,977 23,978 10,979 0.093,980 5,982 1,983 4.221,984 261.565,986 23,987 137.207,992 1,993 20.517,994 8.545,995 4.555,997 148.606,998 12.655,999 11.754,1001 5.409,1003 1.053,1005 18.011,1006 505.131,1007 44.5,1011 -3.56,1013 38.024,1017 -0.484,1020 51.963,1021 57.571,1022 0.315,1023 0.673,1024 0.826,1025 0.88,1026 0.88,1027 0.88,1028 5.064,1029 1.46,1030 5.948,1031 4.363,1032 4.554,1033 5.109,1034 1.27,1035 6.797,1036 4.48,1037 6.29,1038 1.167,1039 7.544,1040 3.897,1041 4.29,1042 5.103,1044 8.021,1045 4.14,1046 7.63,1047 1,1048 9.26,1049 3.05,1050 6.229,1051 7.375,1052 1.27,1053 11.084,1054 6.051,1055 9.016,1056 1,1057 11.055,1058 2.493,1059 6.815,1060 8.243,1062 13.213,1063 6.536,1064 10.443,1065 1,1066 12.905,1067 2.275,1068 8.262,1069 10.026,1070 1.34,1071 15.913,1072 7.946,1073 11.902,1074 0.972,1075 14.796,1076 2.275,1077 9.214,1078 11.268,1080 18.361,1081 8.788,1082 13.384,1083 0.673,1084 16.719,1085 2.136,1086 10.499,1087 12.885,1088 1.423,1089 20.984,1090 10.014,1091 3.512,1092 -0.214,1093 18.666,1094 1.647,1095 11.611,1096 14.292,1098 23.539,1099 11.016,1100 2.943,1101 13.611,1102 20.631,1103 -0.475,1104 12.849,1105 15.854,1106 1.51,1107 26.148,1108 12.177,1109 2.776,1110 9.256,1111 22.612,1112 4.759,1113 14.032,1114 17.336,1116 28.738,1117 13.252,1118 2.446,1119 8.654,1120 24.605,1121 3.961,1122 15.262,1123 18.883,1124 1.599,1125 31.347,1126 14.393,1127 2.318,1128 6.895,1129 26.607,1130 3.666,1131 16.477,1132 20.401,1134 33.95,1135 15.503,1136 1.984,1137 6.663,1138 28.617,1139 3.253,1140 17.711,1141 21.946,1142 1.69,1143 36.559,1144 16.642,1145 1.711,1146 5.768,1147 30.632,1148 2.729,1149 18.943,1150 23.482,1152 39.167,1153 17.771,1154 12620,1155 21749,1156 21.959,1157 34.585,1158 50.459,1159 51.465,1160 50.897,1161 49.967,1162 49.924,1163 65.919,1164 2.917,1165 145.963,1166 48.247,1167 5.931,1168 6.725,1169 7.468,1170 5.503,1171 5.512,1172 7.759,1173 2.117,1174 21.573,1175 5.216,1176 14.312,1177 1.529,1178 1.56,1179 1.542,1180 1.514,1181 1.513,1182 1.998,1183 0.088,1184 4.423,1185 1.462,1186 4.109,1187 4.1,1188 4.742,1189 4.084,1190 7.715,1191 4.003,1192 3.945,1193 3.975,1194 3.934,1195 3.785,1196 7.429,1197 3.802,1198 3.833,1199 3.879,1200 3.776,1201 3.722,1202 6.999,1203 3.712,1204 3.689,1205 3.723,1206 3.644,1207 3.546,1208 5.278,1209 3.509,1210 3.581,1211 3.575,1212 3.598,1213 3.371,1214 4.827,1215 3.403,1216 3.198,1217 3.255,1218 3.146,1219 2.967,1220 4.658,1221 2.988,1222 3.111,1223 3.206,1224 2.897,1225 2.941,1226 4.299,1227 2.91,1228 3.07,1229 3.12,1230 2.866,1231 2.85,1232 3.957,1233 2.83,1234 0.149,1235 0.143,1236 0.232,1237 0.134,1238 0.106,1239 4.931,1240 0.144,1241 4.725,1242 0.032,1243 7.666,1244 0.412,1245 4.435,1246 0.097,1247 3.512,1248 4.759,1249 1.058,1250 13.611,1251 3.216,1252 1.987,1253 1.992,1254 2.065,1255 2.081,1256 1.446,1257 2.115,1258 1.832,1259 1.795,1260 1.985,1261 1.972,1262 1.167,1263 1.983,1264 1.828,1265 1.78,1266 1.94,1267 1.96,1268 0.951,1269 1.957,1270 1.487,1271 1.505,1272 1.575,1273 1.702,1274 0.825,1275 1.693,1276 1.276,1277 1.246,1278 1.513,1279 1.556,1280 0.808,1281 1.544,1282 1.153,1283 1.094,1284 1.415,1285 1.399,1286 0.525,1287 1.429,1288 1.137,1289 1.064,1290 1.234,1291 1.376,1292 0.311,1293 1.365,1294 1.077,1295 1.01,1296 1.181,1297 1.323,1298 0.264,1299 1.335,1300 4.205,1302 5.541,1303 2.398,1304 7.071,1305 4.595,1306 8.679,1307 6.581,1308 10.328,1310 2.125,1315 2.734,1317 2.508,1320 0.533,1321 1.5,1326 33.368,1327 91.007,1328 194.623,1329 238.887,1330 254.539,1331 254.539,1332 254.539,1333 66.739,1334 7.614,1335 118.29,1336 126.67,1337 23,1338 12.607,1339 4.392,1340 3.644,1341 47.415,1342 142,1343 132,1344 0.161,1345 207.784,1346 357.33,1347 498.754,1348 22974,1350 21.14,1351 0.705,1352 0.572,1353 21.39,1354 17.171,1355 14.431,1356 0.437,1357 0.334,1358 9.566,1359 13.006,1360 9.259,1361 7.681,1362 15.219,1363 11.038,1364 13.44,1365 0.286,1366 0.194,1367 14.759,1368 9.13,1369 11.3,1370 0.185,1371 0.114,1372 12.641,1373 6.939,1374 8.849,1375 0.12,1376 0.063,1377 9.927,1378 4.658,1379 6.661,1380 0.076,1381 0.04,1382 7.576,1383 3.514,1384 0.261,1385 99.188,1386 0.213,1387 28.916,1388 0.421,1389 160,1390 536.716,1391 220.635,1392 531.381,1393 719.65,1394 490,1395 188,1396 508.123,1397 256.785,1398 544.06,1399 795.94,1400 510,1401 4.342}
{0 CHEMBL1603183,1 1.631,2 9.72,3 4.183,4 17.493,5 102.398,6 7.271,7 0.423,8 3.979,9 4.098,10 3.564,11 3.484,12 5.058,13 3.431,14 4.524,15 4.719,16 3.893,17 3.82,18 5.489,19 3.749,20 4.657,21 4.849,22 4.042,23 3.949,24 5.693,25 3.867,26 4.788,27 5.005,28 4.007,29 4.017,30 5.839,31 3.918,32 4.815,33 5.019,34 4.017,35 4.066,36 5.892,37 3.902,38 4.791,39 5.026,40 3.794,41 3.946,42 5.764,43 3.764,44 4.697,45 4.943,46 3.57,47 3.782,48 5.633,49 3.63,50 4.653,51 4.934,52 3.563,53 3.682,54 5.613,55 3.559,56 0.032,57 0.713,58 11.653,59 5.048,60 9.53,61 6.424,62 0.291,63 1.096,64 24.799,65 7.792,66 23.539,67 10.331,68 0.243,69 1.247,70 27.318,71 8.886,72 30.935,73 11.772,74 0.487,75 1.403,76 31.767,77 9.252,78 47.341,79 12.475,80 0.589,81 1.426,82 35.666,83 11.49,84 57.914,85 14.491,86 0.407,87 1.301,88 39.342,89 11.789,90 51.297,91 14.414,92 0.466,93 1.114,94 30.444,95 9.4,96 49.16,97 12.448,98 0.413,99 1.042,100 28.271,101 8.502,102 45.478,103 12.031,104 54,105 35,106 0.279,107 0.554,108 0.751,109 0.802,110 0.816,111 0.836,112 3.267,113 1.074,114 -4.64,115 -4.56,116 -4.29,120 36,121 3,122 1,123 1,125 2,126 2,143 3,144 1,145 2,158 1,162 1,163 1,167 1,174 5,176 2,177 10,185 3,189 13,197 3,200 1,201 5,209 4,213 4,214 6,222 7,226 1,227 4,235 3,239 2,240 5,247 2,251 3,252 6,260 5,263 1,264 3,271 5,274 875,275 16.801,276 16.801,277 16.801,278 16.801,279 16.801,280 15.387,281 19.259,282 9.899,283 17.469,284 12.614,285 12.614,286 12.614,287 12.614,288 12.614,289 10.2,290 16.049,291 4.358,292 13.525,293 4.013,294 2.407,295 1.256,296 0.955,297 0.875,298 0.755,299 3.926,306 1,307 1,308 491,309 3.873,312 78.254,313 92.657,320 1.376,321 24.241,323 1,324 1,325 1,326 0.83,327 1,328 1,329 1,330 1,331 0.98,332 54.5,333 243,334 4.448,335 4.485,336 6.657,337 4.038,338 3.119,339 4.104,340 3.325,341 10.654,342 2.984,343 4.374,344 3.648,345 6.468,346 3.997,347 3.015,348 4.015,349 1.133,350 10.018,351 2.855,352 3.658,353 3.157,354 5.526,355 3.289,356 2.344,357 2.984,358 0.86,359 6.879,360 2.216,361 3.454,362 2.935,363 5.253,364 3.178,365 2.252,366 2.638,367 0.86,368 6.589,369 2.073,370 3.332,371 2.66,372 5.044,373 2.975,374 2.021,375 2.521,377 5.684,378 1.899,379 2.767,380 2.53,381 4.387,382 2.516,383 1.59,384 1.824,386 4.02,387 1.463,388 2.594,389 1.923,390 3.906,391 2.183,392 1.241,393 1.602,395 3.013,396 1.155,397 2.404,398 1.535,399 3.693,400 2.02,401 1.045,402 1.365,404 2.626,405 1.007,406 2.036,407 1.305,408 3.13,409 1.821,410 0.85,411 0.982,413 1.528,414 0.824,415 1.902,416 1.199,417 3.075,418 1.62,419 0.759,420 0.841,422 1.328,423 0.647,424 1.689,425 0.914,426 2.927,427 1.288,428 0.412,429 0.488,431 0.866,432 0.35,433 1.45,434 0.859,435 2.61,436 1.166,437 0.301,438 0.339,440 0.42,441 0.257,442 0.846,443 0.425,444 2.276,445 0.647,446 -0.3,447 -0.329,449 -0.533,450 -0.278,451 0.805,452 0.136,453 2.137,454 0.422,455 -0.513,456 -0.618,458 -0.893,459 -0.465,460 0.617,461 -0.091,462 2,463 0.165,464 -0.828,465 -1,467 -1.98,468 -0.794,469 12.033,470 0.481,471 0.575,472 0.023,473 28.5,474 1.14,475 13,476 0.52,477 15.5,478 0.62,479 24.433,480 0.977,481 28.767,482 0.575,483 20.322,484 0.813,485 5.324,486 0.213,487 6.687,488 0.267,489 0.235,491 0.324,496 0.747,497 1.398,498 0.798,499 1.182,500 0.615,501 1.116,502 1.072,503 1.049,504 0.924,505 0.984,506 0.719,507 0.835,508 1.06,509 1.234,510 0.847,511 1.033,512 1.073,513 0.945,514 1.236,515 0.943,516 1.127,517 0.901,518 1.097,519 0.928,520 0.783,521 1.19,522 1.344,523 1.33,524 0.997,525 1.249,526 0.999,527 1.185,528 1.581,529 1.483,530 1.304,531 1.153,532 1.146,533 1.007,534 1.127,535 1.034,536 1.452,537 1.007,538 0.722,539 0.871,540 0.748,541 0.826,542 1.042,543 0.751,544 5,545 0.177,546 3.333,547 2.007,548 1.713,549 0.913,550 0.402,551 0.326,552 0.248,553 0.225,554 6285,555 16702,556 1.928,557 50,558 9,559 13,563 1,564 2,567 1.683,568 1.765,569 3.275,570 -0.711,572 1,575 81.528,576 1.631,577 3.236,578 4.388,579 4.688,580 4.768,581 4.888,582 2.649,583 4.214,584 4.618,585 3.441,586 1032.2,587 7.997,588 12795.8,590 1,592 1,593 282.193,594 1.541,595 4.546,596 0.192,597 0.01,598 0.095,599 0.053,600 0.046,601 0.029,602 0.015,603 0.014,604 0.01,605 0.01,606 0.473,607 0.17,608 1,609 1.289,610 120.853,611 0.047,612 -0.159,613 0.082,614 -0.08,615 0.006,616 -0.051,617 -0.01,618 0.044,619 0.14,620 0.092,621 0.027,622 0.169,623 -0.041,624 -0.142,625 0.166,626 0.018,627 -0.007,628 0.058,629 -0.137,630 0.193,631 -0.074,632 0.093,633 -0.037,634 0.016,635 0.172,636 -0.072,637 -0.124,638 -0.152,639 0.116,640 -0.231,641 -0.034,642 -0.142,643 -0.182,644 -0.21,645 0.005,646 -0.116,647 -0.041,648 -0.065,649 -0.093,650 -0.036,651 -0.139,652 -0.032,653 0.198,654 0.028,655 0.182,656 0.079,657 0.141,658 0.212,659 1.696,660 5.662,661 0.44,662 20.4,663 1.002,664 1.132,665 3.413,666 11.646,667 0.648,668 3.296,669 3.584,670 3.85,671 4.06,672 4.174,673 4.143,674 4.043,675 4.043,676 4.094,677 4.127,678 6.093,679 0.604,680 363.53,681 3.296,682 4.812,683 5.652,684 6.521,685 7.385,686 8.258,687 9.127,688 10.001,689 10.873,690 11.747,691 6,699 1,701 2,709 3,710 2,714 5,715 1,716 11,721 1,735 2,738 50,739 12,740 1,741 26,743 51,744 18,745 8,746 3,747 3,748 1,752 2,753 2,759 3,766 1,768 9,769 9,770 1,772 1,778 1,782 1,786 1,789 25,790 5,792 7,793 1,797 3,803 1,804 3,822 1,823 1,855 2,856 1,857 1,859 5,862 25,869 3,872 2,873 1,874 1,883 1,886 6,889 1,891 2,893 14.167,894 10.6,895 5.889,896 3.118,898 2.023,899 1.304,900 0.91,901 7.329,902 8.673,903 3.512,904 4.056,905 4.621,906 5.122,907 5.457,908 5.533,909 5.574,910 5.612,911 5.811,912 6.085,913 1,914 38,915 9.243,917 3.697,918 7.727,919 17.667,921 13.615,924 2.227,925 55.667,927 1,928 1,929 294.278,930 136.257,931 35.225,933 47.145,935 32.22,936 104.037,937 341.422,938 35.225,939 48.242,940 5.54,941 28.429,942 65.932,943 38.264,945 326.497,947 294.278,948 139.262,949 47.145,950 32.22,952 270.735,953 70.687,956 36.936,957 69.001,958 33.326,959 32.22,960 294.278,961 82.37,962 136.257,965 294.278,966 59.586,967 78.57,969 80.471,970 294.278,971 82.37,972 136.257,973 0.565,974 0.348,975 0.191,976 0.104,977 14,978 8,979 0.176,980 9,982 1,983 3.551,984 193.72,986 11,987 114.096,989 1,993 19.801,994 9.254,995 4.766,997 80.471,998 5.223,999 8.548,1003 3.422,1004 2.103,1006 512.904,1007 32.5,1013 12.662,1017 -0.03,1020 50.083,1021 56.61,1022 0.289,1023 0.573,1024 0.777,1025 0.831,1026 0.845,1027 0.866,1028 4.734,1029 1.045,1030 5.638,1031 3.013,1032 4.263,1033 4.741,1034 3.355,1035 6.457,1036 4.139,1037 5.927,1038 0.85,1039 7.212,1040 2.626,1041 3.892,1042 4.605,1044 7.438,1045 3.748,1046 7.234,1047 0.759,1048 8.888,1049 1.528,1050 5.861,1051 6.91,1052 5.525,1053 10.513,1054 5.634,1055 8.583,1056 0.412,1057 10.625,1058 1.328,1059 6.33,1060 7.62,1062 12.317,1063 6.074,1064 9.967,1065 0.301,1066 12.399,1067 0.866,1068 7.765,1069 9.4,1070 7.905,1071 14.917,1072 7.448,1073 11.374,1074 -0.3,1075 14.199,1076 0.42,1077 8.6,1078 10.477,1080 17.044,1081 8.246,1082 12.799,1083 -0.513,1084 16.017,1085 -0.533,1086 9.838,1087 12.051,1088 10.305,1089 19.484,1090 9.433,1091 3.119,1092 -0.828,1093 17.849,1094 -0.893,1095 10.835,1096 13.298,1098 21.742,1099 10.388,1100 3.015,1101 10.654,1102 19.692,1103 -1.98,1104 11.999,1105 14.781,1106 12.708,1107 24.124,1108 11.505,1109 2.344,1110 10.018,1111 21.542,1112 4.104,1113 13.067,1114 16.108,1116 26.434,1117 12.528,1118 2.252,1119 6.879,1120 23.4,1121 4.015,1122 14.204,1123 17.55,1124 15.111,1125 28.795,1126 13.619,1127 2.021,1128 6.589,1129 25.262,1130 2.984,1131 15.303,1132 18.915,1134 31.127,1135 14.673,1136 1.59,1137 5.684,1138 27.129,1139 2.638,1140 16.431,1141 20.338,1142 17.514,1143 33.481,1144 15.755,1145 1.241,1146 4.02,1147 28.999,1148 2.521,1149 17.544,1150 21.722,1152 35.823,1153 16.822,1154 6499,1155 10780,1156 16.414,1157 32.404,1158 38.217,1159 41.838,1160 40.902,1161 37.756,1162 37.899,1163 47.407,1164 12.357,1165 107.247,1166 35.455,1167 5.337,1168 6.485,1169 6.416,1170 5.183,1171 5.119,1172 7.104,1173 6.65,1174 17.6,1175 4.984,1176 15.747,1177 1.47,1178 1.609,1179 1.573,1180 1.452,1181 1.458,1182 1.823,1183 0.475,1184 4.125,1185 1.364,1186 3.99,1187 4.041,1188 4.086,1189 3.88,1190 7.427,1191 3.882,1192 3.92,1193 3.942,1194 3.885,1195 3.765,1196 5.042,1197 3.778,1198 3.547,1199 3.626,1200 3.588,1201 3.412,1202 4.899,1203 3.38,1204 3.47,1205 3.512,1206 3.343,1207 3.37,1208 4.6,1209 3.324,1210 3.349,1211 3.407,1212 3.224,1213 3.118,1214 4.139,1215 3.132,1216 3.295,1217 3.349,1218 3.144,1219 3.01,1220 4.13,1221 3.03,1222 3.137,1223 3.225,1224 2.94,1225 2.866,1226 4.106,1227 2.853,1228 2.874,1229 3.009,1230 2.866,1231 2.709,1232 3.72,1233 2.657,1234 0.171,1235 0.173,1236 0.256,1237 0.155,1238 0.12,1239 4.448,1240 0.158,1241 4.485,1242 0.128,1243 6.657,1244 0.41,1245 4.038,1246 0.115,1247 3.119,1248 4.104,1249 3.325,1250 10.654,1251 2.984,1252 1.898,1253 1.888,1254 1.98,1255 2.004,1256 1.237,1257 1.997,1258 1.765,1259 1.705,1260 1.972,1261 1.952,1262 1.107,1263 1.961,1264 1.591,1265 1.519,1266 1.884,1267 1.782,1268 1.1,1269 1.821,1270 1.418,1271 1.394,1272 1.596,1273 1.599,1274 0.807,1275 1.611,1276 1.236,1277 1.177,1278 1.562,1279 1.553,1280 0.591,1281 1.564,1282 1.165,1283 1.093,1284 1.503,1285 1.447,1286 0.582,1287 1.473,1288 1.12,1289 1.028,1290 1.431,1291 1.395,1292 0.555,1293 1.417,1294 0.943,1295 0.864,1296 1.417,1297 1.283,1298 0.469,1299 1.308,1300 3.97,1302 5.263,1303 2.398,1304 6.753,1305 4.727,1306 8.337,1307 6.823,1308 9.972,1310 9.433,1315 2.103,1318 10.504,1319 1.404,1320 0.294,1326 30.191,1327 81.528,1328 161.821,1329 219.399,1330 234.418,1331 238.418,1332 244.418,1333 56.458,1334 6.65,1335 66.24,1336 91.54,1337 11,1338 12.288,1339 3.7,1340 2.907,1341 51.58,1342 93,1343 80,1344 0.278,1345 194.584,1346 335.48,1347 466.545,1348 5988,1350 18.397,1351 0.736,1352 0.649,1353 18.751,1354 16.222,1355 12.011,1356 0.462,1357 0.358,1358 8.26,1359 10.984,1360 7.778,1361 6.618,1362 12.465,1363 9.31,1364 10.172,1365 0.291,1366 0.196,1367 10.723,1368 6.868,1369 8.487,1370 0.184,1371 0.103,1372 9.237,1373 4.715,1374 6.778,1375 0.119,1376 0.059,1377 7.508,1378 3.362,1379 5.15,1380 0.08,1381 0.037,1382 5.971,1383 2.383,1384 0.434,1385 80.86,1386 0.247,1387 24.185,1388 0.766,1389 122,1390 397.002,1391 159.556,1392 391.834,1393 528.57,1394 368,1395 142,1396 368.768,1397 178.15,1398 384.278,1399 558.05,1400 356,1401 4.205}
{0 CHEMBL1603493,1 2.111,2 11.714,3 5.474,4 29.967,5 99.847,6 11.607,7 0.414,8 3.794,9 3.867,10 3.698,11 3.374,12 5.153,13 3.401,14 4.327,15 4.433,16 4.179,17 3.729,18 6.146,19 3.747,20 4.542,21 4.679,22 4.257,23 3.841,24 5.989,25 3.839,26 4.595,27 4.752,28 4.314,29 3.737,30 6.22,31 3.754,32 4.412,33 4.547,34 4.093,35 3.613,36 6.04,37 3.624,38 4.322,39 4.463,40 4.038,41 3.64,42 5.893,43 3.62,44 4.417,45 4.589,46 3.931,47 3.701,48 5.828,49 3.642,50 4.352,51 4.546,52 3.981,53 3.559,54 5.929,55 3.541,56 0.37,57 0.728,58 0.822,59 3.138,60 54.089,61 2.666,62 1.131,63 1.425,64 4.848,65 5.708,66 167.929,67 4.778,68 1.099,69 1.156,70 16.663,71 7.545,72 128.194,73 6.928,74 1.49,75 1.207,76 23.593,77 7.931,78 191.565,79 6.323,80 1.199,81 0.873,82 18.779,83 6.799,84 163.36,85 5.656,86 0.883,87 0.907,88 11.874,89 5.829,90 112.655,91 5.795,92 1.032,93 0.982,94 20.849,95 7.303,96 134.837,97 7.457,98 1.085,99 0.941,100 19.831,101 6.736,102 170.82,103 6.748,104 70,105 41,106 0.376,107 0.734,108 0.843,109 0.901,110 0.901,111 0.901,112 3.374,113 0.905,114 -5.24,115 -5.13,116 -4.8,120 43.6,122 1,126 1,128 1,133 1,143 4,144 2,145 3,146 1,148 1,159 2,174 3,176 1,177 5,180 1,185 8,189 4,192 1,194 3,197 4,200 1,201 7,206 1,209 4,213 1,214 1,217 2,219 1,222 1,226 1,227 5,232 1,235 5,239 2,240 3,245 3,247 1,252 8,260 3,264 5,269 1,271 3,274 1326,275 17.842,276 17.842,277 17.842,278 17.842,279 17.842,280 15.976,281 20.074,282 10.388,283 18.682,284 14.228,285 14.228,286 14.228,287 14.228,288 14.228,289 11.381,290 21.855,291 4.824,292 15.82,293 3.174,294 1.166,295 0.552,296 0.224,297 0.224,298 0.224,299 4.031,303 3,306 1,307 1,308 666,309 4.472,313 222.853,320 1.735,321 59.573,324 1,325 0.83,326 1,327 0.6,328 0.5,329 1,330 1,331 0.85,332 65,333 328,334 4.479,335 4.461,336 7.118,337 4.185,338 3.326,339 3.989,340 3.825,341 11.698,342 2.877,343 4.352,344 4.046,345 6.408,346 3.95,347 2.997,348 3.987,349 2.308,350 9.732,351 2.835,352 4.046,353 3.72,354 6.025,355 3.65,356 2.762,357 3.343,358 1.674,359 8.577,360 2.418,361 3.73,362 3.169,363 5.415,364 3.403,365 2.488,366 3.032,367 0.4,368 7.133,369 2.244,370 3.56,371 3.083,372 5.085,373 3.113,374 2.197,375 2.551,377 6.108,378 1.943,379 3.259,380 2.703,381 4.64,382 2.581,383 1.709,384 2.211,386 4.839,387 1.444,388 3.032,389 2.599,390 4.578,391 2.531,392 1.624,393 2.054,395 4.482,396 1.366,397 2.919,398 1.988,399 4.167,400 2.324,401 1.464,402 1.982,404 3.713,405 1.196,406 2.837,407 1.955,408 3.851,409 2.171,410 1.207,411 1.763,413 2.977,414 1.135,415 2.641,416 1.575,417 3.321,418 2.029,419 1.071,420 1.548,422 2.054,423 1.016,424 1.858,425 1.337,426 3.024,427 1.509,428 0.605,429 0.721,431 1.265,432 0.535,433 1.262,434 1.048,435 2.843,436 0.802,437 -0.033,438 -0.039,440 -0.079,441 -0.023,442 1.172,443 0.584,444 2.567,445 0.706,446 -0.157,447 -0.193,449 -0.338,450 -0.115,451 1.086,452 0.51,453 2.359,454 0.527,455 -0.435,456 -0.619,458 -0.79,459 -0.293,460 0.796,461 0.51,462 2.299,463 0.269,464 -0.515,465 -0.626,467 -1.242,468 -0.399,469 13.367,470 0.477,471 0.974,472 0.035,473 35,474 1.25,475 17,476 0.607,477 18,478 0.643,479 24.002,480 0.857,481 31.033,482 0.796,483 29.457,484 1.052,485 7.124,486 0.254,487 5.989,488 0.214,489 0.279,490 0.037,491 0.299,493 3,496 0.661,497 0.971,498 0.487,499 0.828,500 0.617,501 0.776,502 0.575,503 0.743,504 0.597,505 0.789,506 0.442,507 0.874,508 0.882,509 0.913,510 0.982,511 1.045,512 0.686,513 1.059,514 1.159,515 0.823,516 0.983,517 0.884,518 1.135,519 0.973,520 0.901,521 0.776,522 1.005,523 1.067,524 0.999,525 1.107,526 0.448,527 0.578,528 0.79,529 1.03,530 0.498,531 1.134,532 0.806,533 0.799,534 1.153,535 1.083,536 0.744,537 1.224,538 0.946,539 0.896,540 0.899,541 0.85,542 1.061,543 0.878,544 8,545 0.215,546 4,547 2.25,548 1.707,549 1.153,550 0.447,551 0.486,552 0.415,553 0.298,554 9173,555 49922,556 1.888,557 28.2,559 7,561 1,562 1,563 2,567 1.71,568 1.706,569 3.489,570 -0.182,575 82.325,576 2.111,577 4.119,578 4.734,579 5.061,580 5.061,581 5.061,582 2.924,583 4.28,584 4.781,585 3.699,586 1398.32,587 8.309,588 19119.8,593 206.131,594 1.734,595 4.685,596 0.276,597 0.009,598 0.098,599 0.054,600 0.045,601 0.035,602 0.014,603 0.016,604 0.014,605 0.011,606 0.57,607 0.17,608 1,609 1.132,610 142.345,611 -0.059,612 -0.077,613 -0.005,614 -0.034,615 -0.057,616 -0.004,617 0.286,618 0.268,619 0.054,620 0.086,621 0.353,622 -0.028,623 -0.11,624 -0.184,625 -0.057,626 -0.12,627 -0.036,628 -0.064,629 -0.138,630 0.078,631 0.001,632 0.083,633 -0.149,634 0.02,635 -0.013,636 -0.039,637 -0.064,638 -0.127,639 -0.081,640 -0.113,641 0.227,642 0.095,643 0.045,644 -0.147,645 0.143,646 -0.14,647 -0.066,648 -0.064,649 -0.153,650 -0.121,651 -0.054,652 -0.12,653 -0.073,654 -0.034,655 0.109,656 0.137,657 -0.101,658 0.255,659 5.827,660 5.242,661 0.429,662 26.122,663 1.068,664 1.145,665 4.008,666 16.064,667 0.734,668 3.401,669 3.738,670 3.892,671 4.043,672 4.19,673 4.22,674 4.127,675 4.043,676 4.111,677 4.127,678 7.035,679 0.739,680 452.66,681 3.401,682 4.949,683 5.765,684 6.637,685 7.474,686 8.345,687 9.188,688 10.059,689 10.906,690 11.776,691 7.7,696 1,700 1,701 1,709 5,710 1,714 6,716 12,726 1,729 1,737 3,738 39,739 14,740 1,741 29,743 40,744 17,745 11,746 3,747 3,748 1,752 2,753 2,754 3,759 1,765 1,766 2,767 1,768 12,769 4,772 1,778 1,782 1,787 3,789 11,790 8,791 1,792 11,793 3,797 3,803 1,804 2,816 1,823 2,833 1,855 2,860 3,861 3,862 28,869 2,871 1,872 1,874 1,876 1,877 1,882 1,884 1,885 6,886 5.1,889 1,891 1,893 16.417,894 7.09,895 6.167,896 2.11,898 2.038,899 1.302,900 0.938,901 7.652,902 8.791,903 3.664,904 4.205,905 4.659,906 5.119,907 5.554,908 5.652,909 5.608,910 5.503,911 5.664,912 5.935,913 0.875,914 42,915 10.831,917 5.133,918 8.646,919 18.054,921 14.142,924 3.146,925 88.083,929 117.711,930 102.346,931 65.856,932 117.446,933 36.145,934 44.88,936 102.346,937 271.302,938 110.736,940 4.64,941 37.905,942 95.505,943 112.86,944 2.328,945 105.94,946 125.205,947 117.711,948 168.202,949 81.025,950 117.446,952 117.711,953 81.025,956 52.507,957 80.899,958 152.242,960 162.591,961 102,962 219.792,965 125.471,966 31.032,967 46.952,968 34.612,969 246.316,970 117.711,971 146.881,972 219.792,973 0.589,974 0.326,975 0.16,976 0.084,977 17,978 10,979 0.175,980 7,982 1,983 3.809,984 223.311,986 12,987 129.851,993 22.419,994 9.556,995 6.329,997 146.881,998 5.525,999 3.616,1003 -0.843,1005 18.011,1006 484.384,1007 38,1013 12.242,1017 -0.782,1020 41.654,1021 44.671,1022 0.399,1023 0.779,1024 0.896,1025 0.958,1026 0.958,1027 0.958,1028 4.927,1029 1.464,1030 5.808,1031 4.482,1032 4.419,1033 4.89,1034 3.622,1035 6.637,1036 4.208,1037 6.164,1038 1.207,1039 7.401,1040 3.713,1041 4.29,1042 4.82,1043 3.903,1044 7.803,1045 3.839,1046 7.489,1047 1.071,1048 9.103,1049 2.977,1050 6.094,1051 7.03,1052 5.699,1053 10.768,1054 5.689,1055 8.842,1056 0.605,1057 10.87,1058 2.054,1059 6.711,1060 7.687,1061 6.69,1062 12.707,1063 6.069,1064 10.222,1065 -0.033,1066 12.679,1067 1.265,1068 8.087,1069 9.46,1070 8.162,1071 15.288,1072 7.456,1073 11.62,1074 -0.157,1075 14.516,1076 -0.079,1077 9.016,1078 10.457,1079 9.388,1080 17.526,1081 8.179,1082 13.034,1083 -0.435,1084 16.375,1085 -0.338,1086 10.246,1087 12.041,1088 10.771,1089 19.997,1090 9.371,1091 3.326,1092 -0.515,1093 18.251,1094 -0.79,1095 11.31,1096 13.21,1097 12.074,1098 22.354,1099 10.259,1100 2.997,1101 11.698,1102 20.14,1103 -1.242,1104 12.493,1105 14.7,1106 13.43,1107 24.797,1108 11.365,1109 2.762,1110 9.732,1111 22.04,1112 3.989,1113 13.616,1114 15.962,1115 14.758,1116 27.205,1117 12.332,1118 2.488,1119 8.577,1120 23.949,1121 3.987,1122 14.787,1123 17.402,1124 16.104,1125 29.645,1126 13.402,1127 2.197,1128 7.133,1129 25.864,1130 3.343,1131 15.939,1132 18.715,1133 17.441,1134 32.076,1135 14.409,1136 1.709,1137 6.108,1138 27.786,1139 3.032,1140 17.111,1141 20.129,1142 18.785,1143 34.519,1144 15.464,1145 1.624,1146 4.839,1147 29.714,1148 2.551,1149 18.278,1150 21.471,1151 20.124,1152 36.961,1153 16.49,1154 9361,1155 21996,1156 17.8,1157 28.642,1158 44.601,1159 46.906,1160 45.087,1161 43.472,1162 42.901,1163 54.358,1164 16.416,1165 125.158,1166 38.02,1167 5.4,1168 6.461,1169 6.887,1170 5.264,1171 5.326,1172 6.989,1173 6.134,1174 18.703,1175 4.877,1176 19.72,1177 1.538,1178 1.617,1179 1.555,1180 1.499,1181 1.479,1182 1.874,1183 0.566,1184 4.316,1185 1.311,1186 3.956,1187 3.981,1188 4.102,1189 3.883,1190 8.513,1191 3.879,1192 3.905,1193 3.922,1194 4.023,1195 3.803,1196 7.999,1197 3.814,1198 3.685,1199 3.729,1200 3.647,1201 3.524,1202 7.999,1203 3.532,1204 3.364,1205 3.421,1206 3.571,1207 3.098,1208 7.433,1209 3.138,1210 3.254,1211 3.257,1212 3.515,1213 3.049,1214 6.818,1215 3.08,1216 3.114,1217 3.161,1218 3.275,1219 2.878,1220 5.012,1221 2.899,1222 2.879,1223 2.922,1224 3.186,1225 2.795,1226 4.987,1227 2.768,1228 2.788,1229 2.846,1230 3.01,1231 2.581,1232 4.627,1233 2.599,1234 0.154,1235 0.154,1236 0.245,1237 0.144,1238 0.115,1239 4.479,1240 0.138,1241 4.461,1242 0.132,1243 7.118,1244 0.403,1245 4.185,1246 0.099,1247 3.326,1248 3.989,1249 3.825,1250 11.698,1251 2.877,1252 1.888,1253 1.878,1254 1.942,1255 2.003,1256 1.166,1257 1.987,1258 1.842,1259 1.814,1260 1.905,1261 1.954,1262 1.06,1263 1.952,1264 1.639,1265 1.594,1266 1.809,1267 1.82,1268 0.964,1269 1.821,1270 1.216,1271 1.153,1272 1.425,1273 1.503,1274 0.547,1275 1.464,1276 1.088,1277 1.095,1278 1.138,1279 1.357,1280 0.186,1281 1.284,1282 0.953,1283 0.917,1284 1.081,1285 1.264,1286 0.147,1287 1.192,1288 0.868,1289 0.824,1290 1.006,1291 1.016,1292 0.12,1293 1.059,1294 0.708,1295 0.639,1296 0.938,1297 0.937,1299 0.958,1300 4.078,1302 5.407,1304 6.915,1306 8.504,1308 10.135,1311 17.52,1312 37.934,1315 -0.287,1317 2.664,1318 5.235,1320 -0.926,1322 -4.577,1324 8.91,1325 1.855,1326 28.814,1327 82.325,1328 160.647,1329 184.621,1330 197.376,1331 197.376,1332 197.376,1333 103.206,1334 6.753,1335 75.01,1336 75.01,1337 12,1338 12.324,1339 3.907,1340 3.322,1341 62.021,1342 117,1343 110,1344 0.253,1345 189.675,1346 346.8,1347 454.568,1348 6997,1349 15.4,1350 20.897,1351 0.746,1352 0.576,1353 19.897,1354 16.125,1355 13.112,1356 0.452,1357 0.302,1358 7.537,1359 11.561,1360 7.363,1361 5.987,1362 12.767,1363 8.745,1364 12.618,1365 0.308,1366 0.163,1367 11.81,1368 6.698,1369 9.148,1370 0.191,1371 0.088,1372 9.133,1373 4.245,1374 7.147,1375 0.128,1376 0.05,1377 7.775,1378 2.78,1379 5.133,1380 0.079,1381 0.025,1382 5.013,1383 1.617,1384 0.403,1385 93.106,1386 0.237,1387 26.985,1388 0.677,1389 140,1390 720.038,1391 214.298,1392 697.096,1393 860.48,1394 638,1395 159,1396 512.152,1397 213.837,1398 524.995,1399 781.58,1400 490,1401 4.371}
{0 CHEMBL1603688,1 1.509,2 7.733,3 3.327,4 11.066,5 112.946,6 7.575,7 0.353,8 4.084,9 4.19,10 3.667,11 3.669,12 5.241,13 3.651,14 4.643,15 4.794,16 4.162,17 4.151,18 5.697,19 4.124,20 4.986,21 5.13,22 4.398,23 4.436,24 6.096,25 4.402,26 5.245,27 5.443,28 4.539,29 4.575,30 6.415,31 4.522,32 5.263,33 5.435,34 4.501,35 4.575,36 6.556,37 4.516,38 5.261,39 5.473,40 4.303,41 4.519,42 6.378,43 4.416,44 5.226,45 5.463,46 4.122,47 4.346,48 6.397,49 4.223,50 5.043,51 5.303,52 3.375,53 3.98,54 6.166,55 3.781,56 0.047,57 0.746,58 10.44,59 4.963,60 16.574,61 6.145,62 0.166,63 1.269,64 19.984,65 9.025,66 28.888,67 11.762,68 0.217,69 1.777,70 28.324,71 12.078,72 42.074,73 15.148,74 0.413,75 2.218,76 40.299,77 16.256,78 81.806,79 21.722,80 0.682,81 2.266,82 40.262,83 15.692,84 136.301,85 20.05,86 0.409,87 2.235,88 41.611,89 16.334,90 90.605,91 21.916,92 0.516,93 2.07,94 42.597,95 15.799,96 124.079,97 21.638,98 0.681,99 1.708,100 37.382,101 11.584,102 138.393,103 15.746,104 66,105 56,106 0.249,107 0.638,108 0.78,109 0.842,110 0.848,111 0.848,112 3.444,113 0.886,114 -3.85,115 -3.8,116 -3.61,120 45.3,121 4,122 1,123 1,124 1,131 1,137 1,140 1,143 5,144 4,145 3,159 2,164 1,165 1,166 1,174 13,176 1,177 11,179 1,180 1,182 3,185 21,187 1,189 11,194 2,197 19,199 1,200 1,201 13,203 1,204 2,206 4,209 27,211 3,213 4,214 11,216 2,217 2,219 3,222 25,224 2,227 8,231 1,232 5,234 1,235 14,237 3,240 12,243 2,245 7,247 15,249 6,252 2,255 1,257 3,260 2,262 1,269 6,274 1302,275 19.562,276 19.562,277 19.562,278 19.562,279 19.562,280 17.627,281 30.35,282 10.592,283 19.83,284 16.657,285 16.657,286 16.657,287 16.657,288 16.657,289 13.517,290 45.217,291 4.859,292 17.125,293 4.219,294 1.86,295 0.998,296 0.623,297 0.585,298 0.585,299 4.14,306 1,307 1,308 506,309 3.606,312 38.27,313 217.447,316 152.062,317 185.342,318 98.179,320 1.036,321 40.487,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 64.5,333 232,334 5.114,335 4.607,336 8.57,337 4.936,338 3.947,339 4.566,340 2.599,341 17.751,342 3.907,343 4.546,344 4.023,345 7.517,346 4.387,347 3.417,348 4.033,349 2.08,350 13.429,351 3.312,352 4.132,353 3.642,354 6.598,355 3.855,356 2.868,357 3.586,358 1.224,359 10.258,360 2.833,361 4.056,362 3.2,363 6.172,364 3.641,365 2.672,366 3.372,367 1.041,368 8.773,369 2.583,370 3.882,371 3.072,372 6.058,373 3.435,374 2.477,375 3.118,376 0.459,377 8.128,378 2.37,379 3.463,380 2.771,381 5.628,382 3.169,383 2.172,384 2.724,386 6.941,387 2.163,388 3.424,389 2.707,390 5.602,391 3.047,392 2.085,393 2.686,395 6.462,396 1.997,397 3.259,398 2.432,399 5.016,400 2.906,401 1.97,402 2.357,404 5.653,405 1.836,406 3.176,407 2.329,408 4.951,409 2.751,410 1.734,411 2.18,413 5.535,414 1.746,415 3.062,416 2.263,417 4.676,418 2.332,419 1.346,420 1.753,422 3.925,423 1.322,424 2.696,425 1.568,426 4.107,427 2.084,428 1.128,429 1.581,431 2.884,432 1.072,433 2.291,434 1.323,435 3.925,436 1.814,437 0.842,438 1.123,440 2.15,441 0.816,442 1.692,443 0.962,444 3.65,445 1.275,446 0.279,447 0.367,449 0.659,450 0.274,451 1.354,452 0.869,453 3.345,454 0.836,455 -0.106,456 -0.135,458 -0.22,459 -0.099,460 1.185,461 0.344,462 3.046,463 0.723,464 -0.213,465 -0.291,467 -0.524,468 -0.197,469 14.2,470 0.473,471 1.221,472 0.041,473 38.25,474 1.275,475 19,476 0.633,477 19.25,478 0.642,479 33.056,480 1.102,481 31.4,482 0.592,483 32.647,484 1.088,485 6.816,486 0.227,487 7.307,488 0.244,489 0.244,490 0.07,491 0.415,496 0.832,497 1.061,498 0.777,499 0.944,500 0.722,501 0.863,502 0.542,503 0.938,504 0.567,505 0.83,506 0.417,507 0.727,508 1.055,509 1.073,510 0.938,511 1.013,512 0.783,513 0.962,514 0.704,515 1.001,516 0.716,517 0.934,518 0.694,519 0.846,520 1.089,521 1.091,522 1.09,523 1.088,524 1.286,525 1.094,526 0.888,527 1.121,528 1.1,529 1.149,530 0.989,531 1.155,532 0.885,533 1.203,534 1.062,535 1.186,536 1.037,537 1.163,538 1.541,539 1.053,540 1.658,541 1.21,542 1.461,543 1.396,544 9,546 5.333,547 5.174,548 4.474,549 2.494,550 1.662,551 0.704,552 0.264,553 0.076,554 8543,555 22105,556 2.048,557 43.4,558 7,559 5,562 3,564 8,567 1.744,568 1.818,569 2.831,570 0.834,571 1,572 1,575 79.989,576 1.509,577 3.868,578 4.73,579 5.105,580 5.143,581 5.143,582 2.319,583 4.84,584 4.881,585 2.973,586 1293.4,587 8.604,588 16183.4,590 1,592 1,593 303.58,594 1.806,595 4.778,596 0.265,598 0.095,599 0.075,600 0.057,601 0.035,602 0.029,603 0.016,604 0.018,605 0.011,606 0.6,607 0.5,608 0.88,609 0.836,610 144.401,611 -0.079,612 0.048,613 0.032,614 0.076,615 -0.082,616 0.075,617 0.165,618 0.113,619 0.294,620 0.195,621 0.105,622 0.251,623 -0.123,624 -0.005,625 -0.06,626 -0.016,627 -0.066,628 -0.022,629 0.147,630 -0.003,631 0.225,632 0.066,633 0.164,634 0.142,635 0.033,636 -0.058,637 -0.149,638 -0.114,639 0.023,640 -0.158,641 -0.056,642 -0.126,643 -0.153,644 -0.162,645 -0.056,646 -0.171,647 0.061,648 -0.259,649 -0.06,650 -0.206,651 0.023,652 -0.165,653 -0.317,654 -0.059,655 -0.598,656 -0.298,657 -0.292,658 -0.453,659 2.641,660 7.32,661 0.7,662 19.44,663 1.002,664 1.118,665 2.615,666 6.84,667 0.679,668 3.555,669 4.043,670 4.466,671 4.934,672 5.318,673 5.598,674 5.844,675 6.006,676 6.146,677 6.198,678 4.758,679 0.651,680 401.5,681 3.555,682 5.198,683 6.142,684 7.136,685 8.112,686 9.114,687 10.103,688 11.108,689 12.103,690 13.109,691 5.7,692 1,698 1,700 1,709 5,714 7,716 12,734 1,735 1,738 53,739 15,740 2,741 34,743 57,744 24,745 12,746 7,747 5,752 5,753 10,759 4,760 1,762 1,763 1,764 2,766 1,767 1,768 15,769 8,770 2,772 2,778 1,782 3,786 1,789 23,790 6,791 3,792 6,797 3,803 0.2,804 3,822 1,823 4,826 2,827 2,828 1,833 1,839 1,846 1,848 1,855 1,859 4,862 30,863 1,868 1,869 1,872 1,874 1,875 1,876 2,877 1,882 1,884 1,886 5.7,888 1,889 1,891 1,893 16.5,894 11.017,895 6.236,896 3.257,898 2.994,899 1.347,900 0.962,901 3.756,902 11.626,903 3.807,904 4.466,905 5.109,906 5.802,907 6.408,908 6.834,909 7.313,910 7.712,911 8.051,912 8.312,913 1,914 69,915 11.23,917 5.25,918 7.867,919 21.15,921 18.887,924 2.367,925 71,927 1,928 1,929 235.422,930 135.266,931 67.081,933 78.828,936 135.266,937 314.25,938 67.081,939 35.301,940 38.556,941 47.381,942 89.135,943 70.802,945 235.422,947 235.422,948 202.346,949 78.828,952 141.253,953 172.997,956 104.916,957 97.43,960 235.422,961 145.909,962 135.266,965 235.422,966 35.982,967 85.806,968 16.602,969 142.785,970 235.422,971 145.909,972 135.266,973 0.617,974 0.388,975 0.241,976 0.148,977 33,978 16,981 4,982 1.381,983 3.556,984 331.206,985 0.381,986 21,987 145.207,993 19.176,994 5.876,995 2.219,997 145.909,998 8.736,1003 4.585,1005 75.581,1006 516.597,1007 44,1013 14.32,1017 -0.211,1020 53.123,1021 59.275,1022 0.263,1023 0.675,1024 0.826,1025 0.891,1026 0.898,1027 0.898,1028 5.17,1029 1.97,1030 6.248,1031 6.462,1032 4.727,1033 5.153,1034 3.229,1035 7.309,1036 4.678,1037 6.462,1038 1.734,1039 7.971,1040 5.653,1041 4.796,1042 5.255,1043 2.553,1044 8.909,1045 4.731,1046 7.857,1047 1.346,1048 9.812,1049 5.535,1050 6.613,1051 7.412,1052 4.636,1053 12.15,1054 6.527,1055 9.285,1056 1.128,1057 11.726,1058 3.925,1059 7.456,1060 8.248,1061 4.524,1062 14.608,1063 7.362,1064 10.748,1065 0.842,1066 13.691,1067 2.884,1068 8.894,1069 9.981,1070 6.301,1071 17.533,1072 8.784,1073 12.236,1074 0.279,1075 15.694,1076 2.15,1077 10.049,1078 11.155,1079 6.478,1080 20.275,1081 9.933,1082 13.747,1083 -0.106,1084 17.727,1085 0.659,1086 11.396,1087 12.733,1088 8.058,1089 23.142,1090 11.269,1091 3.947,1092 -0.213,1093 19.783,1094 -0.22,1095 12.671,1096 14.071,1097 8.425,1098 25.97,1099 12.537,1100 3.417,1101 17.751,1102 21.857,1103 -0.524,1104 14.006,1105 15.593,1106 9.861,1107 28.832,1108 13.863,1109 2.868,1110 13.429,1111 23.945,1112 4.566,1113 15.328,1114 17.012,1115 10.367,1116 31.688,1117 15.177,1118 2.672,1119 10.258,1120 26.044,1121 4.033,1122 16.669,1123 18.515,1124 11.692,1125 34.554,1126 16.511,1127 2.477,1128 8.773,1129 28.152,1130 3.586,1131 18.011,1132 19.975,1133 12.305,1134 37.421,1135 17.845,1136 2.172,1137 8.128,1138 30.267,1139 3.372,1140 19.361,1141 21.474,1142 13.543,1143 40.291,1144 19.187,1145 2.085,1146 6.941,1147 32.387,1148 3.118,1149 20.713,1150 22.956,1151 14.238,1152 43.162,1153 20.531,1154 8276,1155 13470,1156 21.501,1157 35.995,1158 56.06,1159 58.845,1160 59.394,1161 53.953,1162 53.879,1163 66.892,1164 14.807,1165 185.099,1166 52.461,1167 6.075,1168 6.607,1169 8.066,1170 6.024,1171 5.947,1172 7.566,1173 4.858,1174 26.583,1175 5.907,1176 18.96,1177 1.649,1178 1.731,1179 1.747,1180 1.587,1181 1.585,1182 1.967,1183 0.436,1184 5.444,1185 1.543,1186 4.158,1187 4.177,1188 4.13,1189 4.086,1190 7.427,1191 4.094,1192 3.907,1193 3.927,1194 3.859,1195 3.829,1196 6.82,1197 3.832,1198 3.661,1199 3.712,1200 3.564,1201 3.566,1202 6.471,1203 3.554,1204 3.601,1205 3.631,1206 3.54,1207 3.492,1208 5.132,1209 3.503,1210 3.405,1211 3.47,1212 3.312,1213 3.239,1214 4.745,1215 3.239,1216 3.281,1217 3.342,1218 3.113,1219 3.109,1220 4.616,1221 3.111,1222 3.011,1223 3.087,1224 2.967,1225 2.775,1226 4.271,1227 2.793,1228 2.949,1229 3.017,1230 2.793,1231 2.758,1232 4.097,1233 2.766,1234 0.15,1235 0.135,1236 0.252,1237 0.145,1238 0.116,1239 5.114,1240 0.134,1241 4.607,1242 0.076,1243 8.57,1244 0.522,1245 4.936,1246 0.115,1247 3.947,1248 4.566,1249 2.599,1250 17.751,1251 3.907,1252 2.022,1253 2.007,1254 2.117,1255 2.096,1256 1.428,1257 2.103,1258 1.931,1259 1.91,1260 2.02,1261 2.047,1262 1.256,1263 2.037,1264 1.699,1265 1.66,1266 1.882,1267 1.825,1268 1.037,1269 1.844,1270 1.531,1271 1.502,1272 1.717,1273 1.686,1274 0.883,1275 1.671,1276 1.398,1277 1.322,1278 1.625,1279 1.6,1280 0.731,1281 1.644,1282 1.137,1283 1.093,1284 1.433,1285 1.388,1286 0.524,1287 1.38,1288 1.099,1289 1.048,1290 1.417,1291 1.342,1292 0.469,1293 1.343,1294 0.934,1295 0.836,1296 1.282,1297 1.239,1298 0.411,1299 1.308,1300 4.234,1302 5.68,1303 2.398,1304 7.343,1305 5.043,1306 9.119,1307 7.455,1308 10.959,1310 8.293,1313 6.184,1314 10.007,1315 0.81,1318 5.688,1320 0.263,1321 1.851,1322 -1.82,1324 10.118,1325 2.175,1326 34.477,1327 79.989,1328 205.002,1329 250.686,1330 270.56,1331 272.56,1332 272.56,1333 71.111,1334 8.632,1335 99.58,1336 99.58,1337 29,1338 13.566,1339 4,1340 3.459,1341 40.856,1342 82,1343 102,1344 0.248,1345 207.117,1346 373.13,1347 497.126,1348 61900,1350 21.585,1351 0.72,1352 0.58,1353 21.585,1354 17.407,1355 14.123,1356 0.415,1357 0.295,1358 9.943,1359 13.703,1360 9.525,1361 7.9,1362 14.123,1363 10.04,1364 14.421,1365 0.258,1366 0.164,1367 14.421,1368 9.192,1369 12.486,1370 0.145,1371 0.078,1372 12.486,1373 6.7,1374 12.378,1375 0.09,1376 0.041,1377 12.378,1378 5.666,1379 10.772,1380 0.053,1381 0.021,1382 10.772,1383 4.266,1384 0.356,1385 87.83,1386 0.216,1387 26.334,1388 0.812,1389 180,1390 466.223,1391 193.771,1392 459.616,1393 640.83,1394 426,1395 232,1396 494.418,1397 246.3,1398 504.551,1399 759.16,1400 474,1401 4.262}
{0 CHEMBL1604371,1 1.732,2 14.8,3 3.417,4 11.678,5 120.807,6 8.203,7 0.375,8 4.051,9 4.163,10 3.689,11 3.574,12 5.229,13 3.56,14 4.565,15 4.718,16 4.023,17 3.932,18 5.829,19 3.898,20 4.808,21 5.005,22 4.001,23 4.088,24 5.901,25 3.994,26 4.852,27 5.09,28 3.991,29 4.039,30 5.962,31 3.917,32 4.735,33 4.966,34 3.91,35 3.947,36 5.867,37 3.836,38 4.611,39 4.809,40 3.794,41 3.847,42 5.811,43 3.75,44 4.574,45 4.8,46 3.767,47 3.726,48 5.734,49 3.632,50 4.391,51 4.584,52 3.716,53 3.592,54 5.846,55 3.5,56 0.168,57 0.765,58 9.287,59 4.487,60 10.73,61 5.539,62 0.443,63 1.205,64 19.099,65 7.206,66 54.233,67 9.159,68 0.476,69 1.459,70 27.884,71 10.306,72 47.319,73 12.853,74 0.508,75 1.443,76 31.819,77 11.29,78 76.407,79 14.678,80 0.446,81 1.298,82 30.579,83 10.36,84 57.414,85 12.844,86 0.412,87 1.164,88 25.131,89 8.839,90 57.905,91 10.499,92 0.457,93 1.065,94 23.94,95 8.312,96 56.498,97 10.405,98 0.656,99 0.963,100 23.362,101 6.623,102 101.368,103 7.624,104 18,105 42,106 0.288,107 0.613,108 0.759,109 0.836,110 0.844,111 0.844,112 3.439,113 0.922,114 -3.52,115 -3.5,116 -3.34,120 40.4,126 5,136 2,143 8,144 2,145 2,159 1,160 1,167 2,174 10,176 1,177 4,180 1,181 1,182 3,185 11,188 1,189 9,194 3,197 7,201 9,204 1,206 5,209 2,214 8,219 5,222 1,227 7,230 1,232 3,235 2,239 1,240 5,243 1,245 3,247 4,251 2,252 1,255 3,257 1,260 5,267 2,269 1,271 7,274 1664,275 20.085,276 20.085,277 20.085,278 20.085,279 20.085,280 17.918,281 25.648,282 12.213,283 20.586,284 15.833,285 15.833,286 15.833,287 15.833,288 15.833,289 12.498,290 32.264,291 5.88,292 16.607,293 3.968,294 2.008,295 1.13,296 0.668,297 0.615,298 0.615,299 4.123,306 1,307 1,308 939,309 4.062,313 362.351,320 2.547,321 33.798,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 66,333 444,334 4.284,335 3.829,336 5.976,337 3.8,338 2.82,339 3.987,340 2.612,341 8.466,342 2.762,343 4.083,344 3.779,345 5.639,346 3.714,347 2.752,348 3.655,349 1.773,350 7.848,351 2.66,352 3.895,353 3.372,354 5.48,355 3.531,356 2.595,357 3.297,358 0.99,359 7.387,360 2.454,361 3.743,362 3.03,363 5.279,364 3.387,365 2.417,366 3.058,367 0.916,368 6.69,369 2.319,370 3.591,371 2.644,372 5.146,373 3.229,374 2.263,375 2.824,376 0.86,377 6.361,378 2.187,379 3.376,380 2.543,381 4.953,382 3.057,383 2.084,384 2.48,385 0.172,386 5.861,387 2.004,388 3.19,389 2.34,390 4.484,391 2.687,392 1.759,393 2.318,394 0.14,395 4.611,396 1.6,397 2.957,398 2.016,399 3.778,400 2.365,401 1.413,402 2.079,404 3.062,405 1.361,406 2.593,407 1.815,408 3.59,409 2.27,410 1.365,411 1.587,413 3.034,414 1.204,415 2.5,416 1.256,417 3.437,418 2,419 1,420 1.5,422 2.324,423 1,424 2.441,425 1.195,426 3.414,427 2,428 1,429 1.44,431 2.275,432 1,433 2.306,434 1,435 3.247,436 1.952,437 1,438 1,440 2.136,441 0.946,442 2,443 1,444 3.136,445 1.575,446 0.576,447 0.91,449 1.357,450 0.571,451 1.476,452 0.985,453 2.88,454 1.2,455 0.249,456 0.288,458 0.615,459 0.235,460 1,461 0.828,462 2.629,463 0.727,464 -0.217,465 -0.24,467 -0.578,468 -0.203,469 14.267,470 0.476,471 0.681,472 0.023,473 38.75,474 1.292,475 19.5,476 0.65,477 19.25,478 0.642,479 22.167,480 0.739,481 32.533,482 0.626,483 30.91,484 1.03,485 8.123,486 0.271,487 6.368,488 0.212,489 0.129,491 0.266,496 0.59,497 1.221,498 0.642,499 0.921,500 0.512,501 0.919,502 0.829,503 1.142,504 0.797,505 0.965,506 0.449,507 0.991,508 0.9,509 1.077,510 1.055,511 1.05,512 0.673,513 1.111,514 0.728,515 1.002,516 0.812,517 0.95,518 0.78,519 0.983,520 0.88,521 0.956,522 1.006,523 0.979,524 0.814,525 0.895,526 1.07,527 1.054,528 1.199,529 1.149,530 1.148,531 1.112,532 1.002,533 0.955,534 0.81,535 0.864,536 1.029,537 0.889,538 1.004,539 0.977,540 1.445,541 1.133,542 0.888,543 0.98,544 6.5,545 0.103,546 2.222,547 1.563,548 1.356,549 0.625,550 0.588,551 0.335,552 0.267,553 0.192,554 14110,555 44757,556 2.032,557 42.3,559 20,562 2,567 1.72,568 1.915,569 3.838,570 0.276,572 1,575 90.077,576 1.732,577 3.692,578 4.571,579 5.032,580 5.085,581 5.085,582 3.273,583 4.307,584 4.878,585 4.047,586 1760.35,587 8.464,588 27102.9,590 1,593 296.423,594 1.338,595 4.843,596 0.203,597 0.004,598 0.053,599 0.039,600 0.038,601 0.018,602 0.019,603 0.012,604 0.01,605 0.008,606 0.403,607 0.33,608 1,609 0.715,610 160.312,611 0.102,612 -0.062,613 0.031,614 -0.01,615 -0.008,616 -0.006,617 0.053,618 -0.061,619 -0.014,620 -0.056,621 0.176,622 -0.067,623 -0.103,624 -0.053,625 -0.152,626 -0.086,627 -0.018,628 -0.133,629 0.039,630 -0.064,631 0.145,632 0.022,633 0.061,634 0.045,635 -0.051,636 0.01,637 0.083,638 0.077,639 0.018,640 0.138,641 -0.136,642 -0.047,643 -0.161,644 -0.114,645 -0.118,646 -0.125,648 -0.029,649 0.173,650 0.097,651 -0.024,652 0.11,653 0.16,654 0.124,655 -0.128,656 0.013,657 0.262,658 -0.028,659 2.483,660 5.036,661 0.6,662 37.662,663 1.014,664 1.125,665 2.293,666 5.258,667 0.68,668 3.497,669 3.761,670 3.912,671 4.094,672 4.263,673 4.159,674 4.263,675 4.263,676 4.29,677 4.29,678 8.721,679 0.651,680 426.54,681 3.497,682 5.004,683 5.802,684 6.637,685 7.448,686 8.283,687 9.1,688 9.934,689 10.753,690 11.586,691 7.7,694 1,698 2,702 1,709 8,714 4,716 12,731 1,738 52,739 17,740 2,741 32,743 54,744 21,745 12,746 4,747 8,748 3,752 3,753 3,757 1,768 16,769 5,772 5,775 1,778 3,779 1,780 2,782 2,786 1,789 22,790 7,791 2,792 9,793 1,797 4,800 1,803 1,804 4,823 3,845 2,851 1,854 1,855 3,857 1,862 30,869 5,871 2,872 1,875 1,886 7.7,889 1,890 1,892 2,893 15.667,894 9.067,895 6.694,896 2.931,898 2.827,899 1.393,900 0.957,901 8.048,902 10.026,903 3.784,904 4.29,905 4.705,906 5.17,907 5.657,908 5.719,909 6.045,910 6.157,911 6.25,912 6.41,913 0.9,914 40,915 11.05,917 4.596,918 7.989,919 20.671,921 16.287,924 2.489,925 74.667,928 1,929 235.422,930 172.33,931 44.816,933 86.892,935 45.192,936 127.138,937 322.314,938 44.816,939 5.67,940 51.523,941 94.762,942 40.849,943 15.009,944 0.285,945 235.422,946 95.939,947 235.422,948 171.954,949 86.892,950 45.192,952 235.422,953 25.145,954 61.747,956 54.648,957 92.684,958 24.623,959 45.192,960 235.422,961 131.708,962 172.33,965 235.422,966 32.376,967 103.557,968 36.022,969 132.084,970 235.422,971 131.708,972 172.33,973 0.57,974 0.31,975 0.161,976 0.088,977 17,978 8,979 0.111,980 6,982 1,983 4.356,984 237.5,986 18,987 137.207,990 1,993 22.058,994 10.946,995 7.291,997 126.038,998 13.868,1003 2.479,1005 36.022,1006 539.46,1007 43,1010 -0.483,1013 33.637,1014 5.173,1015 2.768,1017 -0.257,1020 52.745,1021 58.488,1022 0.304,1023 0.648,1024 0.802,1025 0.883,1026 0.892,1027 0.892,1028 4.99,1029 1.413,1030 5.753,1031 4.611,1032 4.443,1033 4.977,1034 3.115,1035 6.447,1036 4.36,1037 6.162,1038 1.365,1039 7.239,1040 3.062,1041 3.892,1042 4.691,1043 2.615,1044 7.071,1045 3.772,1046 7.434,1047 1,1048 8.815,1049 3.034,1050 5.932,1051 7.042,1052 4.4,1053 10.079,1054 5.779,1055 8.733,1056 1,1057 10.441,1058 2.324,1059 6.133,1060 7.528,1061 4.637,1062 11.466,1063 5.949,1064 10.06,1065 1,1066 12.098,1067 2.275,1068 7.647,1069 9.376,1070 6.052,1071 13.955,1072 7.432,1073 11.404,1074 0.576,1075 13.776,1076 2.136,1077 8.215,1078 10.234,1079 6.619,1080 15.689,1081 7.971,1082 12.763,1083 0.249,1084 15.468,1085 1.357,1086 9.481,1087 11.859,1088 7.841,1089 17.961,1090 9.209,1091 2.82,1092 -0.217,1093 17.171,1094 0.615,1095 10.248,1096 12.922,1097 8.578,1098 19.872,1099 9.947,1100 2.752,1101 8.466,1102 18.882,1103 -0.578,1104 11.388,1105 14.432,1106 9.691,1107 22.047,1108 11.062,1109 2.595,1110 7.848,1111 20.601,1112 3.987,1113 12.264,1114 15.614,1115 10.523,1116 24.052,1117 11.91,1118 2.417,1119 7.387,1120 22.324,1121 3.655,1122 13.34,1123 17.061,1124 11.573,1125 26.185,1126 12.962,1127 2.263,1128 6.69,1129 24.053,1130 3.297,1131 14.278,1132 18.315,1133 12.459,1134 28.239,1135 13.874,1136 2.084,1137 6.361,1138 25.786,1139 3.058,1140 15.321,1141 19.727,1142 13.472,1143 30.357,1144 14.895,1145 1.759,1146 5.861,1147 27.523,1148 2.824,1149 16.294,1150 21.027,1151 14.389,1152 32.438,1153 15.842,1154 13617,1155 24487,1156 21.266,1157 35.341,1158 47.241,1159 49.734,1160 47.385,1161 46.673,1162 46.585,1163 60.849,1164 14.93,1165 124.056,1166 44.608,1167 5.284,1168 5.829,1169 5.778,1170 4.903,1171 4.82,1172 6.987,1173 4.612,1174 14.297,1175 4.762,1176 14.804,1177 1.476,1178 1.554,1179 1.481,1180 1.459,1181 1.456,1182 1.902,1183 0.467,1184 3.877,1185 1.394,1186 4.01,1187 4.038,1188 3.999,1189 3.906,1190 7.815,1191 3.909,1192 3.948,1193 3.984,1194 3.937,1195 3.863,1196 7.43,1197 3.862,1198 3.749,1199 3.804,1200 3.806,1201 3.542,1202 6.999,1203 3.553,1204 3.661,1205 3.689,1206 3.616,1207 3.483,1208 4.894,1209 3.487,1210 3.476,1211 3.505,1212 3.549,1213 3.275,1214 4.723,1215 3.238,1216 3.295,1217 3.338,1218 3.337,1219 3.01,1220 4.678,1221 3.085,1222 3.111,1223 3.206,1224 3.033,1225 2.946,1226 4.599,1227 2.928,1228 3.101,1229 3.161,1230 2.866,1231 2.941,1232 4.145,1233 2.91,1234 0.134,1235 0.12,1236 0.187,1237 0.119,1238 0.088,1239 4.284,1240 0.125,1241 3.829,1242 0.082,1243 5.976,1244 0.265,1245 3.8,1246 0.086,1247 2.82,1248 3.987,1249 2.612,1250 8.466,1251 2.762,1252 1.941,1253 1.917,1254 2.046,1255 2.088,1256 1.268,1257 2.058,1258 1.925,1259 1.894,1260 2.036,1261 2.043,1262 1.119,1263 2.046,1264 1.687,1265 1.629,1266 1.897,1267 1.913,1268 1.092,1269 1.911,1270 1.549,1271 1.52,1272 1.659,1273 1.788,1274 0.825,1275 1.743,1276 1.294,1277 1.258,1278 1.513,1279 1.625,1280 0.67,1281 1.552,1282 1.162,1283 1.127,1284 1.442,1285 1.444,1286 0.632,1287 1.442,1288 1.153,1289 1.064,1290 1.283,1291 1.376,1292 0.299,1293 1.429,1294 1.059,1295 1.006,1296 1.244,1297 1.284,1298 0.218,1299 1.302,1300 4.174,1302 5.451,1304 6.903,1306 8.429,1308 9.992,1315 4.264,1317 5.524,1318 5.357,1321 2.338,1326 33.873,1327 90.077,1328 191.984,1329 237.668,1330 261.668,1331 264.423,1332 264.423,1333 63.204,1334 7.2,1335 99.42,1336 131.51,1337 18,1338 12.16,1339 4.17,1340 3.585,1341 55.849,1342 158,1343 142,1344 0.166,1345 215.049,1346 384.25,1347 516.478,1348 14875,1350 21.347,1351 0.712,1352 0.569,1353 21.847,1354 17.061,1355 14.491,1356 0.453,1357 0.307,1358 9.304,1359 13.544,1360 9.109,1361 7.528,1362 14.78,1363 9.838,1364 12.922,1365 0.308,1366 0.17,1367 13.331,1368 7.122,1369 9.732,1370 0.199,1371 0.095,1372 9.968,1373 4.671,1374 7.788,1375 0.132,1376 0.054,1377 8.155,1378 3.159,1379 6.124,1380 0.087,1381 0.03,1382 6.301,1383 2.083,1384 0.275,1385 94.739,1386 0.217,1387 29.501,1388 0.418,1389 148,1390 509.759,1391 179.438,1392 507.482,1393 659.28,1394 468,1395 165,1396 449.629,1397 189.761,1398 457.87,1399 653.55,1400 427,1401 4.834}
{0 CHEMBL1604632,1 1.559,2 9.65,3 3.821,4 14.599,5 79.934,6 8.049,7 0.571,8 3.658,9 3.762,10 3.282,11 3.25,12 4.79,13 3.215,14 4.149,15 4.301,16 3.602,17 3.581,18 5.269,19 3.521,20 4.369,21 4.553,22 3.711,23 3.654,24 5.5,25 3.577,26 4.332,27 4.522,28 3.489,29 3.531,30 5.478,31 3.434,32 4.296,33 4.513,34 3.234,35 3.404,36 5.436,37 3.279,38 4.146,39 4.397,40 3.093,41 3.294,42 5.052,43 3.141,44 4.065,45 4.328,46 3.052,47 3.168,48 5.012,49 3.042,50 3.876,51 4.102,52 3.154,53 3.035,54 5.089,55 2.974,56 0.02,57 0.455,58 6.556,59 3.323,60 5.262,61 4.17,62 0.145,63 0.708,64 12.899,65 5.474,66 16.999,67 6.911,68 0.316,69 0.827,70 19.895,71 6.954,72 31.988,73 8.674,74 0.22,75 0.786,76 19.405,77 6.644,78 36.65,79 8.155,80 0.419,81 0.753,82 20.665,83 6.136,84 58.654,85 7.623,86 0.188,87 0.665,88 17.537,89 5.737,90 25.447,91 7.807,92 0.147,93 0.596,94 15.812,95 5.348,96 22.224,97 7.152,98 0.285,99 0.461,100 13.667,101 4.239,102 36.662,103 5.143,104 10,105 27,106 0.286,107 0.603,108 0.74,109 0.862,110 0.902,111 0.902,112 3.055,113 0.967,114 -4.79,115 -4.7,116 -4.41,120 44.4,121 1,126 2,143 8,144 2,145 2,159 1,174 10,177 2,180 1,182 1,185 11,189 5,192 1,194 2,197 8,201 4,206 3,209 2,213 1,214 2,219 2,227 2,232 3,240 4,245 1,247 1,252 4,260 5,264 1,271 10,274 470,275 13.449,276 13.449,277 13.449,278 13.449,279 13.449,280 11.75,281 12.352,282 8.24,283 13.736,284 10.339,285 10.339,286 10.339,287 10.339,288 10.339,289 7.89,290 11.983,291 3.877,292 10.841,293 3.611,294 1.879,295 1.132,296 0.465,297 0.243,298 0.243,299 3.716,303 1,305 1,306 1,307 1,308 401,309 3,313 148.008,320 1.42,321 18.278,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42.833,333 193,334 4.31,335 3.587,336 6.385,337 3.956,338 2.951,339 3.916,340 1.058,341 9.619,342 2.961,343 4.16,344 3.243,345 6.021,346 3.7,347 2.793,348 3.773,349 0.86,350 8.547,351 2.497,352 3.423,353 2.643,354 4.903,355 3.055,356 2.061,357 2.659,359 5.35,360 2.042,361 2.954,362 2.308,363 4.232,364 2.59,365 1.672,366 2.115,368 4.012,369 1.529,370 2.862,371 1.709,372 3.89,373 2.414,374 1.414,375 2.017,377 3.234,378 1.414,379 2.852,380 1.512,381 3.618,382 2.357,383 1.414,384 1.99,386 3.01,387 1.312,388 2.636,389 1.501,390 3.588,391 2.293,392 1.335,393 1.666,395 2.919,396 1.222,397 2.387,398 1.309,399 3.402,400 1.996,401 1,402 1.316,404 2.32,405 0.987,406 1.613,407 1,408 2.806,409 1.309,410 0.396,411 0.46,413 0.859,414 0.35,415 1.094,416 0.455,417 2.264,418 0.777,419 -0.146,420 -0.17,422 -0.315,423 -0.111,424 1.066,425 0.16,426 2,427 0.646,428 -0.299,429 -0.377,431 -0.63,432 -0.28,433 0.674,434 -0.164,435 2,436 0.228,437 -0.694,438 -0.857,440 -1.585,441 -0.597,442 0.627,443 -0.533,444 1.808,445 0.165,446 -0.85,447 -1.203,449 -2.015,450 -0.855,451 0.331,452 -0.799,453 1.604,454 -0.018,455 -1,456 -1.336,458 -2.297,459 -0.982,460 -0.098,461 -1.131,462 1.382,463 -0.414,464 -1.414,465 -1.841,467 -3.459,468 -1.142,469 9.781,470 0.489,471 0.404,472 0.02,473 26,474 1.3,475 14,476 0.7,477 12,478 0.6,479 13.685,480 0.684,481 21.419,482 0.595,483 16.933,484 0.847,485 5.447,486 0.272,487 4.235,488 0.212,489 0.158,491 0.256,496 0.704,497 1.159,498 0.626,499 0.956,500 0.593,501 0.907,502 0.887,503 1.071,504 0.731,505 0.933,506 0.651,507 0.938,508 1.048,509 1.013,510 0.897,511 0.985,512 0.938,513 0.956,514 1.416,515 1.278,516 1.129,517 1.174,518 1.529,519 1.156,520 1.507,521 0.985,522 1.286,523 1.003,524 1.982,525 1.09,526 0.711,527 1.077,528 0.971,529 1.107,530 0.705,531 1.079,532 0.869,533 0.912,534 0.74,535 0.885,536 0.66,537 0.839,538 1.424,539 0.486,540 0.673,541 0.516,542 1.162,543 0.517,544 3,545 0.05,546 2.444,547 1.375,548 0.724,549 0.299,550 0.162,551 0.181,552 0.16,553 0.124,554 4081,555 12230,556 1.995,557 44.4,558 3,559 12,562 1,567 1.61,568 1.875,569 3.235,570 -0.32,572 1,574 1,575 56.117,576 1.559,577 3.291,578 4.038,579 4.705,580 4.927,581 4.927,582 2.609,583 3.922,584 4.301,585 3.398,586 645.603,587 7.303,588 7047.85,590 1,591 1,592 1,593 186.117,594 1.353,595 4.255,596 0.143,597 0.004,598 0.091,599 0.051,600 0.034,601 0.019,602 0.012,603 0.013,604 0.011,605 0.008,606 0.385,607 0.67,608 1,609 0.627,610 91.091,611 -0.032,612 -0.044,613 0.013,614 -0.02,615 -0.061,616 0.007,617 0.013,618 -0.011,619 0.023,620 0.002,621 0.025,622 -0.014,623 0.082,624 -0.02,625 0.047,626 -0.029,627 0.024,628 -0.014,629 -0.179,630 -0.303,631 -0.157,632 -0.226,633 -0.135,634 -0.226,635 -0.155,636 0.008,637 -0.262,638 -0.07,639 -0.247,640 -0.169,641 0.052,642 -0.108,643 -0.024,644 -0.148,645 0.008,646 -0.083,647 0.032,648 0.022,649 0.159,650 0.072,651 0.106,652 0.162,653 0.028,654 0.427,655 0.308,656 0.451,657 0.22,658 0.447,659 1.758,660 4.951,661 0.6,662 14.3,663 1.004,664 1.116,665 3.557,666 12.651,667 0.691,668 3.091,669 3.332,670 3.526,671 3.638,672 3.689,673 3.434,674 3.367,675 3.367,676 3.367,677 3.401,678 5.913,679 0.653,680 289.78,681 3.091,682 4.575,683 5.38,684 6.205,685 7.022,686 7.849,687 8.67,688 9.497,689 10.319,690 11.147,691 2.8,698 1,709 8,714 4,716 12,723 1,735 1,737 1,738 36,739 13,740 2,741 21,743 37,744 16,745 12,746 4,747 8,748 1,752 2,753 2,754 1,759 1,768 13,769 3,772 1,778 1,782 1,786 1,789 16,790 3,791 1,792 4,793 1,797 1,803 1,804 2,823 2,855 2,859 1,860 1,862 20,869 2,871 1,872 1,885 1,886 5.6,889 1,891 1,893 10.667,894 6.643,895 4.583,896 2.077,898 2.073,899 1.34,900 0.952,901 5.301,902 8.166,903 3.367,904 3.892,905 4.388,906 4.818,907 5.202,908 4.918,909 4.903,910 4.856,911 4.866,912 5.097,913 1,914 27,915 7.361,917 2.979,918 7.822,919 13.908,921 10.737,924 2.322,925 46.444,926 0.001,929 176.567,930 111.153,931 18.011,932 39.149,933 36.145,936 111.153,937 251.86,938 18.011,939 8.825,940 24.709,941 75.81,942 29.85,943 26.115,945 176.567,946 39.149,947 176.567,948 129.164,949 36.145,950 39.149,952 176.567,953 36.145,956 33.534,957 95.63,958 39.149,960 176.567,961 54.156,962 150.302,965 176.567,966 26.518,967 84.635,968 18.011,969 75.293,970 176.567,971 54.156,972 150.302,973 0.565,974 0.33,975 0.167,976 0.078,977 11,978 5,979 0.135,980 5,982 1,983 3.334,984 133.461,986 12,987 84.439,993 14.728,994 7.199,995 4.162,997 54.156,998 14.736,1003 2.833,1005 18.011,1006 381.024,1007 28,1013 11.951,1017 -0.092,1020 36.149,1021 40.183,1022 0.302,1023 0.637,1024 0.781,1025 0.91,1026 0.953,1027 0.953,1028 4.543,1029 1,1030 5.323,1031 2.919,1032 4.007,1033 4.575,1034 1.552,1035 6.047,1036 3.921,1037 5.715,1038 0.396,1039 6.836,1040 2.32,1041 3.434,1042 4.205,1044 6.843,1045 3.284,1046 6.988,1047 -0.146,1048 8.46,1049 0.859,1050 5.509,1051 6.686,1052 1.527,1053 9.909,1054 5.358,1055 8.301,1056 -0.299,1057 10.151,1058 -0.315,1059 5.802,1060 7.157,1062 11.58,1063 5.599,1064 9.648,1065 -0.694,1066 11.886,1067 -0.63,1068 7.314,1069 9.094,1070 1.53,1071 14.131,1072 7.113,1073 11.02,1074 -0.85,1075 13.651,1076 -1.585,1077 8.019,1078 9.969,1080 16.134,1081 7.785,1082 12.412,1083 -1,1084 15.437,1085 -2.015,1086 9.284,1087 11.648,1088 1.557,1089 18.5,1090 9.051,1091 2.951,1092 -1.414,1093 17.236,1094 -2.297,1095 10.183,1096 12.73,1098 20.637,1099 9.932,1100 2.793,1101 9.619,1102 19.046,1103 -3.459,1104 11.337,1105 14.272,1106 1.603,1107 22.931,1108 11.088,1109 2.061,1110 8.547,1111 20.863,1112 3.916,1113 12.325,1114 15.467,1116 25.127,1117 12.07,1118 1.672,1119 5.35,1120 22.685,1121 3.773,1122 13.43,1123 16.932,1124 1.663,1125 27.393,1126 13.179,1127 1.414,1128 4.012,1129 24.511,1130 2.659,1131 14.46,1132 18.191,1134 29.617,1135 14.21,1136 1.414,1137 3.234,1138 26.34,1139 2.115,1140 15.544,1141 19.61,1142 1.734,1143 31.872,1144 15.3,1145 1.335,1146 3.01,1147 28.172,1148 2.017,1149 16.592,1150 20.907,1152 34.11,1153 16.356,1154 4080,1155 7170,1156 13.811,1157 24.864,1158 30.394,1159 31.713,1160 31.406,1161 30.198,1162 30.074,1163 39.827,1164 3.837,1165 79.737,1166 28.628,1167 5.228,1168 5.587,1169 6.094,1170 5.02,1171 4.951,1172 6.916,1173 2.117,1174 16.117,1175 4.961,1176 9.391,1177 1.447,1178 1.51,1179 1.496,1180 1.438,1181 1.432,1182 1.897,1183 0.183,1184 3.797,1185 1.363,1186 3.957,1187 3.983,1188 4.002,1189 3.887,1190 7.429,1191 3.885,1192 3.891,1193 3.908,1194 3.888,1195 3.827,1196 4.991,1197 3.822,1198 3.562,1199 3.628,1200 3.449,1201 3.343,1202 4.718,1203 3.356,1204 3.197,1205 3.258,1206 3.293,1207 3.033,1208 4.466,1209 3.022,1210 3.163,1211 3.213,1212 3.104,1213 2.96,1214 4.3,1215 2.969,1216 2.883,1217 2.922,1218 2.957,1219 2.805,1220 3.959,1221 2.777,1222 2.854,1223 2.903,1224 2.719,1225 2.711,1226 3.892,1227 2.704,1228 2.692,1229 2.769,1230 2.516,1231 2.499,1232 3.583,1233 2.492,1234 0.205,1235 0.171,1236 0.304,1237 0.188,1238 0.141,1239 4.31,1240 0.186,1241 3.587,1242 0.05,1243 6.385,1244 0.458,1245 3.956,1246 0.141,1247 2.951,1248 3.916,1249 1.058,1250 9.619,1251 2.961,1252 1.93,1253 1.906,1254 2.044,1255 2.022,1256 1.154,1257 2.029,1258 1.867,1259 1.849,1260 1.964,1261 1.959,1262 1.065,1263 1.967,1264 1.511,1265 1.444,1266 1.762,1267 1.754,1268 0.983,1269 1.761,1270 1.209,1271 1.132,1272 1.552,1273 1.418,1274 0.604,1275 1.469,1276 1.089,1277 1.058,1278 1.267,1279 1.359,1280 0.293,1281 1.328,1282 0.87,1283 0.824,1284 1.132,1285 1.047,1286 0.188,1287 1.077,1288 0.828,1289 0.789,1290 1.066,1291 1.002,1292 0.146,1293 1.033,1294 0.694,1295 0.618,1296 0.954,1297 0.918,1298 0.056,1299 0.95,1300 3.761,1302 5.017,1304 6.475,1306 8.025,1308 9.615,1310 1.912,1311 5.97,1315 0.805,1317 2.822,1318 5.507,1326 23.493,1327 56.117,1328 118.466,1329 145.362,1330 169.362,1331 177.362,1332 177.362,1333 34.127,1334 6.094,1335 38.33,1336 38.33,1337 12,1338 11.722,1339 3.807,1340 3,1341 36.766,1342 73,1343 52,1344 0.248,1345 152.089,1346 264.15,1347 362.857,1348 3249,1349 2.8,1350 14.372,1351 0.719,1352 0.599,1353 14.872,1354 11.983,1355 9.682,1356 0.461,1357 0.322,1358 6.356,1359 9.125,1360 6.142,1361 5.124,1362 9.97,1363 6.772,1364 8.209,1365 0.304,1366 0.176,1367 8.58,1368 4.757,1369 6.682,1370 0.202,1371 0.096,1372 7.062,1373 3.184,1374 5.099,1375 0.138,1376 0.054,1377 5.368,1378 2.001,1379 3.611,1380 0.093,1381 0.031,1382 3.801,1383 1.197,1384 0.399,1385 63.204,1386 0.269,1387 20.475,1388 0.646,1389 96,1390 302.007,1391 118.997,1392 319.764,1393 419.06,1394 298,1395 108,1396 273.644,1397 127.727,1398 287.012,1399 414.84,1400 270,1401 4.594}
{0 CHEMBL1605021,1 1.801,2 9.913,3 1.742,4 3.034,5 83.163,6 8.385,7 0.48,8 3.816,9 3.904,10 3.64,11 3.365,12 4.923,13 3.335,14 4.366,15 4.496,16 3.931,17 3.719,18 5.679,19 3.691,20 4.613,21 4.776,22 4.056,23 3.806,24 5.836,25 3.777,26 4.589,27 4.751,28 3.903,29 3.717,30 6.059,31 3.688,32 4.51,33 4.71,34 3.585,35 3.609,36 5.707,37 3.552,38 4.355,39 4.592,40 3.517,41 3.486,42 5.392,43 3.395,44 4.269,45 4.493,46 3.462,47 3.37,48 5.475,49 3.291,50 4.092,51 4.278,52 3.309,53 3.251,54 5.366,55 3.164,56 0.132,57 0.61,58 9.611,59 4.188,60 21.642,61 4.392,62 0.411,63 0.942,64 17.678,65 7.042,66 60.171,67 7.653,68 0.716,69 1.126,70 26.982,71 7.929,72 69.29,73 9.143,74 0.851,75 1.079,76 25.788,77 7.496,78 111.867,79 8.417,80 0.632,81 0.971,82 20.309,83 6.349,84 84.889,85 7.88,86 0.44,87 0.883,88 20.127,89 5.885,90 48.789,91 7.805,92 0.606,93 0.773,94 20.201,95 5.376,96 67.104,97 6.625,98 0.5,99 0.611,100 14.165,101 4.987,102 57.536,103 5.901,104 20,105 36,106 0.319,107 0.665,108 0.816,109 0.842,110 0.851,111 0.869,112 3.189,113 1.068,114 -3,115 -3,116 -2.89,120 37.5,121 1,122 1,126 2,128 1,143 4,145 3,146 1,148 1,150 1,164 1,165 1,166 1,174 4,176 2,177 2,179 1,180 1,185 2,188 3,189 6,197 1,200 6,201 4,203 3,204 3,214 4,216 1,217 1,219 1,224 1,227 6,229 1,230 1,232 1,237 1,239 2,240 2,245 1,249 1,251 2,252 1,257 2,262 2,264 4,269 1,273 1,274 667,275 15.325,276 15.325,277 15.325,278 15.325,279 15.325,280 13.559,281 16.389,282 8.945,283 15.967,284 12.291,285 12.291,286 12.291,287 12.291,288 12.291,289 9.544,290 20.076,291 4.103,292 13.418,293 3.521,294 1.571,295 0.719,296 0.569,297 0.519,298 0.419,299 3.867,305 1,306 1,307 1,308 485,309 3.317,313 194.876,317 104.464,320 1.577,321 37.185,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 51.5,333 228,334 4.881,335 5.254,336 7.389,337 4.293,338 3.426,339 4.74,340 2.95,341 12.799,342 2.948,343 4.267,344 3.439,345 6.294,346 3.913,347 2.991,348 3.831,349 1.151,350 9.593,351 2.744,352 4.06,353 3.025,354 6.014,355 3.615,356 2.676,357 3.644,358 0.86,359 8.626,360 2.502,361 3.54,362 2.828,363 5.523,364 3.149,365 2.211,366 2.805,368 6.874,369 2.056,370 2.945,371 2.167,372 4.493,373 2.531,374 1.618,375 2.125,377 4.469,378 1.475,379 2.917,380 2.011,381 4.336,382 2.48,383 1.534,384 2.052,386 3.965,387 1.444,388 2.768,389 1.677,390 4.129,391 2.284,392 1.346,393 1.876,395 3.375,396 1.255,397 2.558,398 1.409,399 3.609,400 2.21,401 1.263,402 1.567,404 2.941,405 1.185,406 2.169,407 1.097,408 3.398,409 2.014,410 1.033,411 1.13,413 1.781,414 1.01,415 1.877,416 0.969,417 3.165,418 1.556,419 0.659,420 0.782,422 1.541,423 0.585,424 1.201,425 0.7,426 2.84,427 0.783,428 -0.114,429 -0.14,431 -0.278,432 -0.101,433 1,434 0.117,435 2.601,436 0.496,437 -0.413,438 -0.485,440 -0.853,441 -0.37,442 0.854,443 -0.008,444 2.291,445 0.401,446 -0.533,447 -0.592,449 -1.024,450 -0.482,451 0.69,452 -0.252,453 2.165,454 0.313,455 -0.618,456 -0.729,458 -1.596,459 -0.564,460 0.649,461 -0.445,462 2,463 0.155,464 -0.763,465 -1.009,467 -2.065,468 -0.694,469 10.867,470 0.472,471 0.663,472 0.029,473 31.75,474 1.38,475 16.5,476 0.717,477 15.25,478 0.663,479 16.616,480 0.722,481 25.733,482 0.643,483 22.886,484 0.995,485 5.874,486 0.255,487 5.135,488 0.223,489 0.144,490 0.077,491 0.276,496 0.71,497 1.329,498 0.822,499 1.265,500 0.759,501 0.961,502 0.941,503 1.132,504 0.941,505 1.126,506 0.653,507 0.956,508 1.175,509 1.139,510 1.052,511 1.099,512 1.111,513 0.899,514 1.187,515 1.048,516 1.285,517 1.131,518 1.246,519 1.057,520 1.35,521 1.013,522 0.967,523 0.807,524 1.54,525 1.045,526 0.776,527 1.059,528 0.887,529 0.923,530 0.594,531 0.957,532 0.948,533 0.821,534 1.078,535 0.878,536 0.974,537 0.866,538 1.012,539 0.889,540 0.914,541 0.876,542 1.241,543 1.023,544 5.5,545 0.083,546 3.556,547 1.875,548 1.249,549 0.826,550 0.466,551 0.311,552 0.218,553 0.182,554 5433,555 16937,556 2.031,557 42.5,558 3,559 9,561 1,562 2,564 2,567 1.656,568 1.878,569 3.263,570 0.407,571 1,572 1,574 1,575 72.032,576 1.801,577 3.751,578 4.603,579 4.753,580 4.803,581 4.903,582 2.757,583 4.35,584 4.494,585 3.396,586 859.196,587 7.73,588 9600.3,589 1,590 1,592 1,593 212.877,594 1.631,595 4.433,596 0.22,597 0.008,598 0.099,599 0.049,600 0.037,601 0.033,602 0.021,603 0.016,604 0.013,605 0.013,606 0.508,607 0.33,608 1,609 1.226,610 107.222,611 -0.002,612 -0.1,613 0.198,614 -0.054,615 -0.169,616 0.031,617 0.04,618 -0.051,619 0.04,620 -0.051,621 0.178,622 0.009,623 -0.02,624 -0.12,625 0.047,626 -0.037,627 -0.081,628 0.052,629 0.055,630 0.011,631 -0.232,632 -0.142,633 0.129,634 -0.166,635 -0.275,636 -0.051,637 -0.194,638 -0.016,639 -0.298,640 -0.144,641 -0.027,642 -0.049,643 0.042,644 -0.02,645 -0.027,646 0.016,647 0.041,648 0.191,649 -0.018,650 0.085,651 -0.011,652 0.085,653 0.09,654 0.027,655 -0.001,656 0.059,657 -0.003,658 -0.056,659 4.376,660 5.088,661 0.696,662 18.957,663 1.022,664 1.129,665 1.766,666 3.119,667 0.67,668 3.258,669 3.611,670 3.871,671 4.111,672 4.29,673 4.369,674 4.511,675 4.575,676 4.682,677 4.691,678 5.701,679 0.645,680 335.42,681 3.258,682 4.812,683 5.666,684 6.561,685 7.431,686 8.329,687 9.204,688 10.103,689 10.981,690 11.88,691 7.5,695 1,701 2,709 5,710 2,714 5,716 12,728 1,735 2,738 40,739 14,740 1,741 25,743 42,744 15,745 10,746 2,747 4,752 3,753 4,759 1,763 1,766 2,768 10,769 5,772 2,776 1,778 2,785 1,786 1,789 17,790 7,791 2,792 8,793 1,797 3,803 0.667,804 4,817 1,823 3,827 1,855 2,857 1,859 1,862 23,863 1,865 1,869 3,872 2,874 1,886 10,889 2,891 2,893 12.25,894 7.317,895 5.042,896 2.411,898 2.431,899 1.347,900 0.98,901 4.418,902 9.442,903 3.526,904 4.159,905 4.654,906 5.163,907 5.614,908 5.817,909 6.141,910 6.329,911 6.685,912 7.025,913 0.857,914 38,915 8.733,917 4.01,918 8.025,919 15.955,921 13.281,924 2.525,925 58.083,929 176.567,930 86.544,931 66.468,933 66.313,935 6.046,936 80.498,937 242.879,938 66.468,939 8.825,940 8.027,941 76.848,942 89.655,943 45.413,944 2.328,945 164.795,947 176.567,948 146.966,949 66.313,950 6.046,952 155.352,953 89.855,956 25.899,957 85.168,958 39.617,960 176.567,961 132.781,962 86.544,964 6.046,965 176.567,966 24.72,967 55.778,969 132.781,970 176.567,971 132.781,972 86.544,973 0.586,974 0.346,975 0.187,976 0.091,977 18,978 8,979 0.095,980 4,981 1,982 1.125,983 3.443,984 184.261,985 0.125,986 16,987 102.042,992 1,993 16.029,994 6.34,995 3.258,997 132.781,998 8.517,999 8.21,1003 1.436,1005 32.897,1006 395.891,1007 33,1011 -3.459,1013 24.177,1020 40.876,1021 45.159,1022 0.338,1023 0.705,1024 0.865,1025 0.893,1026 0.903,1027 0.921,1028 4.779,1029 1.263,1030 5.7,1031 3.375,1032 4.29,1033 4.844,1034 3.115,1035 6.581,1036 4.111,1037 6.025,1038 1.033,1039 7.314,1040 2.941,1041 4.111,1042 4.987,1044 7.854,1045 3.775,1046 7.389,1047 0.659,1048 9.045,1049 1.781,1050 6.004,1051 7.177,1052 5.057,1053 10.89,1054 5.599,1055 8.799,1056 -0.114,1057 10.847,1058 1.541,1059 6.635,1060 8.13,1062 12.97,1063 6.043,1064 10.246,1065 -0.413,1066 12.696,1067 -0.278,1068 8.065,1069 9.882,1070 7.189,1071 15.626,1072 7.397,1073 11.72,1074 -0.533,1075 14.577,1076 -0.853,1077 9.033,1078 11.165,1080 17.995,1081 8.176,1082 13.213,1083 -0.618,1084 16.48,1085 -1.024,1086 10.304,1087 12.773,1088 9.348,1089 20.557,1090 9.348,1091 3.426,1092 -0.763,1093 18.401,1094 -1.596,1095 11.411,1096 14.198,1098 23.033,1099 10.274,1100 2.991,1101 12.799,1102 20.336,1103 -2.065,1104 12.632,1105 15.759,1106 11.511,1107 25.576,1108 11.374,1109 2.676,1110 9.593,1111 22.281,1112 4.74,1113 13.798,1114 17.248,1116 28.093,1117 12.368,1118 2.211,1119 8.626,1120 24.236,1121 3.831,1122 15.007,1123 18.795,1124 13.675,1125 30.635,1126 13.439,1127 1.618,1128 6.874,1129 26.198,1130 3.644,1131 16.199,1132 20.315,1134 33.17,1135 14.465,1136 1.534,1137 4.469,1138 28.166,1139 2.805,1140 17.409,1141 21.861,1142 15.838,1143 35.714,1144 15.527,1145 1.346,1146 3.965,1147 30.139,1148 2.125,1149 18.615,1150 23.397,1152 38.256,1153 16.57,1154 5355,1155 9597,1156 16.296,1157 26.813,1158 37.565,1159 39.985,1160 39.1,1161 37.609,1162 37.514,1163 49.103,1164 9.922,1165 111.928,1166 34.408,1167 5.826,1168 7.254,1169 7.105,1170 5.435,1171 5.426,1172 7.74,1173 5.9,1174 20.45,1175 4.948,1176 11.811,1177 1.503,1178 1.599,1179 1.564,1180 1.504,1181 1.501,1182 1.964,1183 0.397,1184 4.477,1185 1.376,1186 4.088,1187 4.073,1188 4.742,1189 4.078,1190 7.714,1191 3.97,1192 3.93,1193 3.933,1194 3.905,1195 3.832,1196 6.999,1197 3.833,1198 3.682,1199 3.723,1200 3.689,1201 3.531,1202 5.178,1203 3.528,1204 3.43,1205 3.482,1206 3.275,1207 3.274,1208 4.952,1209 3.257,1210 3.282,1211 3.318,1212 3.205,1213 3.076,1214 4.672,1215 3.053,1216 2.965,1217 3.079,1218 2.837,1219 2.748,1220 4.318,1221 2.748,1222 2.896,1223 2.945,1224 2.774,1225 2.643,1226 4.194,1227 2.661,1228 2.732,1229 2.787,1230 2.623,1231 2.575,1232 4.071,1233 2.588,1234 0.195,1235 0.21,1236 0.296,1237 0.172,1238 0.137,1239 4.881,1240 0.19,1241 5.254,1242 0.118,1243 7.389,1244 0.512,1245 4.293,1246 0.118,1247 3.426,1248 4.74,1249 2.95,1250 12.799,1251 2.948,1252 1.938,1253 1.953,1254 1.998,1255 2.067,1256 1.313,1257 2.078,1258 1.875,1259 1.866,1260 1.917,1261 1.98,1262 1.111,1263 1.996,1264 1.626,1265 1.578,1266 1.812,1267 1.807,1268 0.96,1269 1.825,1270 1.403,1271 1.358,1272 1.582,1273 1.599,1274 0.845,1275 1.624,1276 1.164,1277 1.133,1278 1.334,1279 1.419,1280 0.494,1281 1.451,1282 0.887,1283 0.836,1284 1.172,1285 1.245,1286 0.199,1287 1.232,1288 0.838,1289 0.733,1290 1.142,1291 1.087,1292 0.097,1293 1.102,1294 0.727,1295 0.671,1296 0.938,1297 0.941,1298 0.059,1299 0.981,1300 3.932,1302 5.273,1304 6.825,1306 8.47,1308 10.159,1310 1.785,1313 5.812,1315 0.744,1318 11.393,1320 -0.532,1326 25.798,1327 72.032,1328 150.048,1329 184.122,1330 190.122,1331 192.122,1332 196.122,1333 48.959,1334 7.011,1335 104.4,1336 112.78,1337 18,1338 12.407,1339 3.907,1340 3.17,1341 36.937,1342 79,1343 79,1344 0.236,1345 162.41,1346 280.01,1347 388.04,1348 9363,1350 16.449,1351 0.715,1352 0.583,1353 16.699,1354 13.415,1355 11.009,1356 0.44,1357 0.356,1358 7.26,1359 9.715,1360 6.972,1361 5.768,1362 11.83,1363 8.899,1364 10.273,1365 0.285,1366 0.201,1367 11.578,1368 7.238,1369 8.355,1370 0.178,1371 0.114,1372 9.518,1373 5.336,1374 7.194,1375 0.12,1376 0.061,1377 8.266,1378 3.653,1379 5.223,1380 0.073,1381 0.029,1382 5.725,1383 2.067,1384 0.367,1385 78.142,1386 0.248,1387 22.47,1388 0.656,1389 122,1390 424.405,1391 174.963,1392 417.983,1393 562.63,1394 386,1395 144,1396 388.012,1397 206.473,1398 417.68,1399 613.71,1400 392,1401 6.796}
{0 CHEMBL1605795,1 1.724,2 10.857,3 2.622,4 6.875,5 97.281,6 8.542,7 0.387,8 3.952,9 4.036,10 3.621,11 3.454,12 5.173,13 3.489,14 4.481,15 4.598,16 4.009,17 3.833,18 5.793,19 3.856,20 4.659,21 4.805,22 4.027,23 3.956,24 5.876,25 3.952,26 4.78,27 4.951,28 4.009,29 3.92,30 6.04,31 3.911,32 4.748,33 4.926,34 3.923,35 3.841,36 6.011,37 3.84,38 4.652,39 4.814,40 3.902,41 3.778,42 6.096,43 3.777,44 4.613,45 4.824,46 3.754,47 3.719,48 5.831,49 3.687,50 4.482,51 4.673,52 3.767,53 3.649,54 6.01,55 3.617,56 0.188,57 0.69,58 7,59 4.132,60 14.452,61 4.261,62 0.684,63 1.091,64 15.112,65 6.904,66 41.915,67 7.381,68 0.581,69 1.334,70 18.435,71 8.411,72 57.74,73 9.151,74 0.922,75 1.322,76 24.385,77 9.199,78 84.926,79 10.472,80 0.992,81 1.188,82 25.293,83 8.579,84 95.01,85 9.61,86 0.998,87 1.191,88 21.391,89 7.721,90 106.578,91 8.563,92 0.792,93 1.173,94 23.094,95 8.146,96 88.668,97 9.92,98 0.912,99 1.112,100 18.634,101 6.986,102 118.433,103 8.725,104 17,105 44,106 0.296,107 0.652,108 0.792,109 0.86,110 0.878,111 0.878,112 3.375,113 0.833,114 -3.55,115 -3.52,116 -3.36,120 44.4,121 1,126 1,127 1,128 1,137 1,139 1,143 7,144 2,145 3,159 1,160 1,174 7,176 2,177 5,180 2,181 1,182 4,185 8,189 6,194 2,197 5,201 11,204 4,206 4,209 4,213 1,214 8,219 2,222 4,226 3,227 7,232 4,235 5,239 1,240 1,245 4,247 6,251 1,252 2,257 2,260 8,264 4,267 2,271 6,274 1298,275 18.809,276 18.809,277 18.809,278 18.809,279 18.809,280 16.75,281 25.311,282 10.954,283 19.207,284 15.292,285 15.292,286 15.292,287 15.292,288 15.292,289 12.061,290 30.362,291 5.209,292 15.914,293 3.767,294 1.69,295 0.87,296 0.478,297 0.372,298 0.372,299 4.069,305 1,306 1,307 1,308 666,309 3.082,312 70.659,313 254.328,316 120.944,320 1.592,321 43.318,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 63.5,333 304,334 4.491,335 3.849,336 6.856,337 4.188,338 3.207,339 3.932,340 1.727,341 11.365,342 3.143,343 4.288,344 3.535,345 6.193,346 3.893,347 2.94,348 3.914,349 1.672,350 9.256,351 2.798,352 3.996,353 3.315,354 5.831,355 3.57,356 2.594,357 3.558,358 1.392,359 7.907,360 2.529,361 3.65,362 3.138,363 5.281,364 3.325,365 2.365,366 2.905,367 1.148,368 6.729,369 2.256,370 3.553,371 2.856,372 5.162,373 3.207,374 2.22,375 2.803,376 0.636,377 6.327,378 2.172,379 3.476,380 2.676,381 5.026,382 3.116,383 2.171,384 2.724,385 0.554,386 5.984,387 2.03,388 3.165,389 2.525,390 4.664,391 2.727,392 1.749,393 2.232,394 0.532,395 4.724,396 1.689,397 2.886,398 1.992,399 4.372,400 2.477,401 1.534,402 2.024,404 4.212,405 1.439,406 2.526,407 1.805,408 4.344,409 2.273,410 1.322,411 1.518,413 3.797,414 1.246,415 2.5,416 1.727,417 3.465,418 2.108,419 1.115,420 1.5,422 2.482,423 1.105,424 2.22,425 1.416,426 3.414,427 2,428 1,429 1.199,431 2.275,432 1,433 1.882,434 1,435 3.282,436 1.595,437 0.658,438 0.764,440 1.551,441 0.607,442 1.553,443 0.954,444 3.032,445 1.276,446 0.356,447 0.408,449 0.875,450 0.323,451 1.361,452 0.79,453 2.801,454 0.948,455 -0.055,456 -0.068,458 -0.136,459 -0.053,460 1.095,461 0.505,462 2.677,463 0.733,464 -0.201,465 -0.229,467 -0.484,468 -0.186,469 12.752,470 0.455,471 0.75,472 0.027,473 36.25,474 1.295,475 17.5,476 0.625,477 18.75,478 0.67,479 21.677,480 0.774,481 30.448,482 0.677,483 29.35,484 1.048,485 7.682,486 0.274,487 5.826,488 0.208,489 0.114,491 0.392,494 1,496 0.746,497 1.084,498 0.651,499 1.074,500 0.569,501 0.881,502 0.79,503 0.912,504 0.785,505 0.913,506 0.557,507 0.871,508 0.952,509 1.168,510 1.017,511 1.196,512 0.932,513 1.139,514 1.011,515 0.937,516 1.052,517 1.069,518 1.028,519 1.078,520 1.172,521 0.773,522 1.067,523 0.879,524 1.176,525 0.92,526 1.028,527 0.909,528 1.102,529 1.016,530 1.175,531 1.064,532 0.937,533 1.003,534 0.914,535 0.918,536 1.106,537 0.913,538 0.518,539 1.016,540 0.833,541 1.017,542 0.656,543 1.033,544 6,545 0.16,546 3.333,547 2.132,548 1.875,549 1.045,550 0.642,551 0.529,552 0.308,553 0.19,554 10012,555 33897,556 2.094,557 37.8,559 10,560 2,562 2,564 3,567 1.712,568 1.953,569 3.385,570 0.282,571 1,572 1,575 77.598,576 1.724,577 3.802,578 4.622,579 5.014,580 5.12,581 5.12,582 2.884,583 4.522,584 4.78,585 3.572,586 1350.27,587 8.32,588 17746.7,590 1,592 1,593 247.133,594 1.432,595 4.736,596 0.194,597 0.007,598 0.076,599 0.048,600 0.046,601 0.028,602 0.018,603 0.017,604 0.01,605 0.007,606 0.45,607 0.33,608 1,609 0.573,610 140.198,611 -0.078,612 -0.078,613 0.035,614 -0.057,615 -0.061,616 0.015,617 0.086,618 0.042,619 0.039,620 0.075,621 0.072,622 0.04,623 -0.137,624 -0.144,625 -0.167,626 -0.201,627 -0.112,628 -0.19,629 -0.067,630 -0.049,631 -0.089,632 -0.107,633 -0.079,634 -0.111,635 -0.176,636 -0.008,637 -0.061,638 0.063,639 -0.136,640 0.05,641 0.004,642 0.008,643 -0.132,644 -0.067,645 0.026,646 -0.126,647 -0.035,648 -0.078,649 0.122,650 0.066,651 -0.072,652 0.128,653 0.377,654 0.061,655 0.152,656 -0.028,657 0.394,658 -0.025,659 2.253,660 5.772,661 0.75,662 24.648,663 1.032,664 1.127,665 2.318,666 5.375,667 0.674,668 3.466,669 3.807,670 4.078,671 4.357,672 4.554,673 4.595,674 4.635,675 4.745,676 4.682,677 4.736,678 6.487,679 0.671,680 384.39,681 3.466,682 5.017,683 5.872,684 6.758,685 7.629,686 8.518,687 9.395,688 10.284,689 11.164,690 12.055,691 4.4,698 2,709 7,714 5,716 12,735 2,737 1,738 45,739 15,740 2,741 31,743 48,744 20,745 12,746 5,747 7,748 3,752 4,753 5,757 1,759 1,763 1,766 1,768 16,769 4,772 3,778 2,782 4,785 1,786 1,787 1,789 17,790 8,791 2,792 8,797 2,803 0.75,804 5,822 1,823 3,826 1,841 1,845 1,846 1,855 3,859 1,861 1,862 28,869 2,871 2,872 3,874 1,885 1,886 11.1,889 2,891 3,893 14.333,894 8.393,895 6.056,896 2.494,898 2.384,899 1.316,900 0.986,901 5.134,902 9.917,903 3.714,904 4.29,905 4.792,906 5.3,907 5.768,908 5.894,909 6.066,910 6.371,911 6.435,912 6.538,913 1,914 44,915 10.416,917 4.596,918 8.101,919 19.105,921 15.632,924 2.601,925 72.833,928 1,929 176.567,930 129.79,931 36.022,933 83.29,934 14.96,936 129.79,937 259.856,938 50.982,939 8.825,940 47.264,941 66.334,942 60.238,943 62.164,944 42.778,945 153.024,947 176.567,948 165.812,949 98.25,952 156.213,953 118.603,956 56.089,957 106.965,958 2.757,960 191.527,961 119.311,962 129.79,965 176.567,966 54.631,967 75.159,968 36.022,969 98.25,970 176.567,971 134.271,972 129.79,973 0.588,974 0.343,975 0.189,976 0.103,977 22,978 10,979 0.104,980 5,981 1,982 1.095,983 3.959,984 246.119,985 0.095,986 21,987 130.606,993 18.627,994 7.718,995 3.949,997 134.271,998 10.853,1003 2.146,1005 36.022,1006 440.628,1007 40,1013 24.643,1017 -0.392,1020 46.422,1021 50.705,1022 0.314,1023 0.692,1024 0.842,1025 0.913,1026 0.932,1027 0.932,1028 4.97,1029 1.534,1030 5.866,1031 4.724,1032 4.489,1033 4.977,1034 2.974,1035 6.683,1036 4.414,1037 6.175,1038 1.322,1039 7.43,1040 4.212,1041 4.111,1042 4.808,1043 1.485,1044 7.594,1045 4.011,1046 7.486,1047 1.115,1048 9.09,1049 3.797,1050 6.089,1051 7.105,1052 3.681,1053 10.703,1054 5.949,1055 8.829,1056 1,1057 10.809,1058 2.482,1059 6.509,1060 7.693,1061 2.516,1062 12.47,1063 6.345,1064 10.2,1065 0.658,1066 12.567,1067 2.275,1068 7.969,1069 9.5,1070 4.58,1071 15.111,1072 7.775,1073 11.592,1074 0.356,1075 14.354,1076 1.551,1077 8.764,1078 10.438,1079 3.546,1080 17.251,1081 8.547,1082 12.999,1083 -0.055,1084 16.162,1085 0.875,1086 10.02,1087 12.035,1088 5.556,1089 19.737,1090 9.778,1091 3.207,1092 -0.201,1093 17.989,1094 -0.136,1095 10.997,1096 13.156,1097 4.586,1098 22.039,1099 10.733,1100 2.94,1101 11.365,1102 19.83,1103 -0.484,1104 12.174,1105 14.647,1106 6.572,1107 24.475,1108 11.888,1109 2.594,1110 9.256,1111 21.682,1112 3.932,1113 13.237,1114 15.869,1115 5.627,1116 26.846,1117 12.93,1118 2.365,1119 7.907,1120 23.546,1121 3.914,1122 14.387,1123 17.304,1124 7.611,1125 29.269,1126 14.06,1127 2.22,1128 6.729,1129 25.417,1130 3.558,1131 15.493,1132 18.583,1133 6.666,1134 31.67,1135 15.146,1136 2.171,1137 6.327,1138 27.296,1139 2.905,1140 16.635,1141 19.986,1142 8.664,1143 34.092,1144 16.27,1145 1.749,1146 5.984,1147 29.181,1148 2.803,1149 17.762,1150 21.299,1151 7.702,1152 36.506,1153 17.378,1154 9428,1155 17473,1156 20.69,1157 30.313,1158 46.965,1159 48.891,1160 48.039,1161 46.433,1162 46.459,1163 58.962,1164 15.321,1165 134.966,1166 44.672,1167 5.445,1168 5.849,1169 6.371,1170 5.263,1171 5.207,1172 6.932,1173 3.455,1174 18.57,1175 5.143,1176 13.462,1177 1.515,1178 1.577,1179 1.55,1180 1.498,1181 1.499,1182 1.902,1183 0.494,1184 4.354,1185 1.441,1186 4.009,1187 4.033,1188 3.963,1189 3.91,1190 8.201,1191 3.917,1192 3.943,1193 3.957,1194 3.897,1195 3.851,1196 7.435,1197 3.858,1198 3.76,1199 3.793,1200 3.712,1201 3.619,1202 7.428,1203 3.636,1204 3.442,1205 3.451,1206 3.376,1207 3.161,1208 5.008,1209 3.204,1210 3.269,1211 3.307,1212 3.198,1213 2.994,1214 4.672,1215 3.032,1216 3.168,1217 3.222,1218 3.016,1219 2.926,1220 4.505,1221 2.951,1222 3.028,1223 3.07,1224 2.949,1225 2.815,1226 4.373,1227 2.834,1228 2.895,1229 2.937,1230 2.772,1231 2.735,1232 4.147,1233 2.72,1234 0.145,1235 0.124,1236 0.221,1237 0.135,1238 0.103,1239 4.491,1240 0.127,1241 3.849,1242 0.056,1243 6.856,1244 0.367,1245 4.188,1246 0.101,1247 3.207,1248 3.932,1249 1.727,1250 11.365,1251 3.143,1252 1.942,1253 1.917,1254 2.037,1255 2.061,1256 1.218,1257 2.051,1258 1.875,1259 1.858,1260 1.974,1261 1.967,1262 1.128,1263 1.969,1264 1.7,1265 1.669,1266 1.831,1267 1.865,1268 0.928,1269 1.854,1270 1.217,1271 1.196,1272 1.477,1273 1.536,1274 0.595,1275 1.496,1276 1.17,1277 1.117,1278 1.447,1279 1.506,1280 0.577,1281 1.466,1282 1.143,1283 1.089,1284 1.395,1285 1.44,1286 0.56,1287 1.45,1288 0.975,1289 0.948,1290 1.181,1291 1.226,1292 0.218,1293 1.201,1294 0.886,1295 0.821,1296 1.111,1297 1.08,1298 0.151,1299 1.107,1300 4.143,1302 5.476,1303 2.398,1304 6.999,1305 4.595,1306 8.612,1307 6.581,1308 10.274,1310 1.617,1312 13.244,1315 0.186,1317 5.25,1318 16.023,1320 -0.737,1326 30.215,1327 77.598,1328 171.076,1329 207.972,1330 225.624,1331 230.379,1332 230.379,1333 58.287,1334 7.533,1335 85.89,1336 85.89,1337 23,1338 12.585,1339 4,1340 3.322,1341 42.376,1342 106,1343 106,1344 0.188,1345 181.465,1346 331.58,1347 434.535,1348 20328,1349 2.2,1350 19.673,1351 0.703,1352 0.534,1353 18.803,1354 14.952,1355 13.508,1356 0.436,1357 0.278,1358 8.416,1359 12.75,1360 8.255,1361 6.795,1362 13.114,1363 8.605,1364 12.5,1365 0.284,1366 0.145,1367 11.878,1368 6.385,1369 10.352,1370 0.178,1371 0.078,1372 9.941,1373 4.499,1374 8.888,1375 0.115,1376 0.041,1377 8.737,1378 3.127,1379 6.913,1380 0.074,1381 0.022,1382 6.683,1383 2.032,1384 0.295,1385 86.61,1386 0.22,1387 26.692,1388 0.52,1389 150,1390 587.455,1391 173.493,1392 520.682,1393 689.77,1394 486,1395 177,1396 488.195,1397 198.635,1398 482.543,1399 710.34,1400 451,1401 6.796}
{0 CHEMBL1606031,1 1.81,2 8.526,3 2.098,4 4.402,5 73.459,6 9.111,7 0.714,8 3.546,9 3.635,10 3.344,11 3.164,12 4.764,13 3.134,14 4.011,15 4.145,16 3.759,17 3.521,18 5.225,19 3.477,20 4.108,21 4.25,22 3.566,23 3.491,24 5.337,25 3.425,26 4.087,27 4.267,28 3.432,29 3.377,30 5.325,31 3.303,32 3.866,33 4.013,34 3.375,35 3.175,36 5.197,37 3.139,38 3.869,39 4.077,40 3.188,41 3.121,42 5.063,43 3.047,44 3.713,45 3.888,46 3.095,47 2.973,48 4.882,49 2.91,50 3.527,51 3.685,52 2.952,53 2.825,54 4.694,55 2.739,56 0.1,57 0.456,58 4.47,59 2.666,60 6.158,61 2.802,62 0.181,63 0.731,64 9.899,65 4.612,66 14.169,67 5.103,68 0.326,69 0.781,70 14.713,71 5.276,72 24.12,73 4.719,74 0.296,75 0.726,76 12.471,77 4.873,78 32.335,79 5.145,80 0.288,81 0.579,82 10.509,83 3.836,84 26.911,85 3.867,86 0.208,87 0.571,88 11.113,89 4.273,90 21.041,91 5.128,92 0.225,93 0.475,94 9.015,95 3.354,96 25.349,97 3.438,98 0.206,99 0.415,100 8.259,101 2.968,102 20.566,103 2.654,104 10,105 30,106 0.339,107 0.71,108 0.772,109 0.86,110 0.86,111 0.86,112 3.01,113 0.936,114 -3.14,115 -3.14,116 -3.02,120 43.3,121 2,143 4,144 1,147 1,148 1,153 2,159 1,162 1,167 1,174 3,177 7,180 2,182 2,185 5,189 5,192 1,194 2,197 3,200 1,201 4,206 2,209 4,213 1,214 4,219 1,222 4,226 1,227 4,230 1,235 2,240 3,245 1,247 3,251 1,252 2,260 1,263 1,264 1,271 2,274 409,275 12.618,276 12.618,277 12.618,278 12.618,279 12.618,280 10.719,281 12.37,282 7.325,283 12.968,284 10.382,285 10.382,286 10.382,287 10.382,288 10.382,289 7.469,290 15.55,291 3.533,292 10.95,293 3.097,294 1.117,295 0.784,296 0.317,297 0.317,298 0.317,299 3.684,305 1,306 1,307 1,308 352,309 2.646,312 94.904,313 47.006,316 74.647,320 1.341,321 17.5,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 41.5,333 162,334 4.501,335 3.577,336 6.306,337 3.99,338 3.041,339 4.441,340 1.058,341 9.647,342 2.915,343 4.144,344 3.001,345 5.97,346 3.733,347 2.776,348 3.733,350 8.486,351 2.641,352 3.946,353 2.779,354 5.518,355 3.529,356 2.546,357 3.432,359 7.417,360 2.481,361 3.337,362 2.233,363 4.813,364 2.89,365 1.96,366 2.622,368 5.365,369 1.811,370 3.12,371 2.04,372 4.67,373 2.732,374 1.783,375 2.327,377 5.014,378 1.667,379 3.013,380 1.769,381 4.431,382 2.448,383 1.519,384 2.249,386 4.333,387 1.393,388 2.724,389 1.517,390 3.986,391 2.211,392 1.203,393 1.731,395 3.166,396 1.2,397 2.205,398 0.81,399 3.271,400 1.714,401 0.721,402 1.061,404 1.716,405 0.715,406 1.896,407 0.482,408 3.158,409 1.305,410 0.399,411 0.591,413 1.053,414 0.354,415 1.022,416 0.342,417 2.696,418 0.671,419 -0.316,420 -0.39,422 -0.842,423 -0.305,424 0.885,425 -0.235,426 2.264,427 0.422,428 -0.533,429 -0.687,431 -1.337,432 -0.504,433 0.608,434 -0.389,435 2,436 0.153,437 -0.828,438 -0.998,440 -2.006,441 -0.798,442 0.414,443 -0.649,444 1.929,445 0.142,446 -0.854,447 -1.198,449 -2.212,450 -0.843,451 0.36,452 -0.94,453 1.604,454 -0.05,455 -1,456 -1.432,458 -2.931,459 -0.935,460 0.021,461 -1.061,462 1.532,463 -0.395,464 -1.396,465 -1.835,467 -3.783,468 -1.388,469 9.2,470 0.484,471 0.558,472 0.029,473 26.5,474 1.395,475 14,476 0.737,477 12.5,478 0.658,479 12.781,480 0.673,481 19.6,482 0.653,483 16.068,484 0.846,485 5.182,486 0.273,487 3.932,488 0.207,489 0.145,491 0.38,496 0.65,497 1.057,498 0.665,499 0.829,500 0.58,501 0.799,502 0.616,503 1.089,504 0.652,505 0.896,506 0.512,507 0.771,508 1.391,509 1.077,510 1.484,511 1.17,512 1.189,513 1.066,514 1.168,515 0.979,516 1.021,517 0.944,518 1.384,519 1.045,520 1.071,521 1.15,522 0.984,523 1.147,524 1.609,525 1.057,526 0.689,527 0.934,528 0.769,529 0.944,530 0.764,531 0.948,532 1.523,533 0.975,534 0.926,535 0.867,536 1.606,537 0.94,538 1.475,539 0.993,540 1.345,541 1.192,542 1.622,543 1.175,544 5,545 0.057,546 2,547 1.674,548 0.848,549 0.535,550 0.344,551 0.159,552 0.14,553 0.076,554 3427,555 10857,556 2.081,557 36.7,559 4,562 1,563 6,567 1.599,568 1.932,569 3.102,570 -0.198,572 1,574 1,575 54.292,576 1.81,577 3.79,578 4.123,579 4.59,580 4.59,581 4.59,582 2.524,583 4.248,584 4.221,585 3.2,586 547.118,587 7.171,588 5349.69,589 1,590 1,592 1,593 147.207,594 1.462,595 4.171,596 0.238,597 0.014,598 0.067,599 0.067,600 0.04,601 0.028,602 0.02,603 0.011,604 0.013,605 0.009,606 0.508,607 0.67,608 1,609 0.644,610 82.559,611 0.069,612 -0.005,613 0.059,614 0.057,615 -0.05,616 0.029,617 0.16,618 -0.067,619 0.256,620 0.074,621 0.138,622 0.145,623 -0.294,624 -0.011,625 -0.399,626 -0.117,627 -0.178,628 -0.176,629 -0.144,630 -0.003,631 -0.125,632 -0.037,633 -0.063,634 -0.113,635 0.085,636 -0.176,637 -0.045,638 -0.2,639 -0.05,640 -0.151,641 0.182,642 -0.02,643 0.137,644 -0.03,645 0.197,646 0.069,647 -0.268,648 -0.067,649 0.01,650 0.069,651 -0.244,652 0.015,653 -0.249,654 0.015,655 -0.242,656 -0.146,657 -0.366,658 -0.252,659 1.874,660 5.065,661 0.737,662 12.659,663 1.019,664 1.116,665 1.913,666 3.659,667 0.721,668 3.091,669 3.434,670 3.664,671 3.932,672 4.025,673 4.043,674 4.174,675 4.205,676 4.06,677 4.078,678 5.043,679 0.693,680 273.34,681 3.091,682 4.635,683 5.476,684 6.358,685 7.216,686 8.097,687 8.962,688 9.842,689 10.711,690 11.591,691 10,698 1,701 2,708 2,709 4,710 2,712 1,713 1,714 4,716 15,723 1,738 30,739 16,740 1,741 21,743 32,744 13,745 10,746 3,747 3,748 1,752 3,753 4,759 2,768 11,769 2,772 1,778 1,782 1,785 1,786 1,789 11,790 5,791 1,792 6,793 1,796 1,797 3,803 0.667,804 2,822 2,823 1,826 1,855 2,857 1,859 2,862 19,871 1,879 1,886 6.7,889 1,891 1,893 9.833,894 6.233,895 4.056,896 1.711,898 2.775,899 1.425,900 1.004,901 3.07,902 9.3,903 3.418,904 4.086,905 4.684,906 5.308,907 5.699,908 6.007,909 6.437,910 6.744,911 6.646,912 6.9,913 0.833,914 25,915 6.976,917 2.964,918 7.842,919 13.103,921 10.563,924 2.342,925 44.5,926 0.001,929 117.711,930 106.32,931 54.393,933 34.879,935 31.278,936 75.042,937 152.59,938 54.393,939 17.65,940 18.011,941 37.905,942 67.161,943 15.064,944 8.523,945 148.989,947 117.711,948 129.435,949 34.879,950 31.278,952 117.711,953 34.879,956 38.735,957 54.318,958 36.382,959 31.278,960 117.711,961 89.272,962 106.32,965 117.711,966 50.764,967 55.555,968 18.011,969 71.261,970 117.711,971 89.272,972 106.32,973 0.592,974 0.334,975 0.181,976 0.09,977 16,978 7,979 0.063,980 2,981 1,982 1.143,983 3.2,984 139.118,985 0.143,986 14,987 80.711,989 1,993 12.302,994 4.741,995 2.515,996 1.915,997 89.272,998 7.112,999 8.091,1001 4.902,1002 1.569,1003 2.642,1005 18.011,1006 313.302,1007 29.5,1013 12.065,1017 -0.207,1020 30.571,1021 33.495,1022 0.369,1023 0.772,1024 0.84,1025 0.935,1026 0.935,1027 0.935,1028 4.642,1029 0.721,1030 5.476,1031 3.166,1032 4.111,1033 4.771,1034 1.176,1035 6.267,1036 4.016,1037 5.882,1038 0.399,1039 7.024,1040 1.716,1041 3.761,1042 4.677,1044 7.066,1045 3.63,1046 7.203,1047 -0.316,1048 8.661,1049 1.053,1050 5.694,1051 7.048,1052 1.255,1053 10.131,1054 5.513,1055 8.559,1056 -0.533,1057 10.347,1058 -0.842,1059 6.111,1060 7.768,1062 11.726,1063 5.893,1064 9.941,1065 -0.828,1066 12.065,1067 -1.337,1068 7.542,1069 9.61,1070 1.338,1071 14.286,1072 7.282,1073 11.344,1074 -0.854,1075 13.804,1076 -2.006,1077 8.313,1078 10.719,1080 16.231,1081 8.01,1082 12.763,1083 -1,1084 15.56,1085 -2.212,1086 9.538,1087 12.342,1088 1.422,1089 18.599,1090 9.198,1091 3.041,1092 -1.396,1093 17.329,1094 -2.931,1095 10.475,1096 13.643,1098 20.705,1099 10.089,1100 2.776,1101 9.647,1102 19.108,1103 -3.783,1104 11.615,1105 15.175,1106 1.51,1107 22.997,1108 11.191,1109 2.546,1110 8.486,1111 20.895,1112 4.441,1113 12.631,1114 16.568,1116 25.178,1117 12.161,1118 1.96,1119 7.417,1120 22.688,1121 3.733,1122 13.738,1123 18.065,1124 1.599,1125 27.442,1126 13.228,1127 1.783,1128 5.365,1129 24.487,1130 3.432,1131 14.792,1132 19.504,1134 29.659,1135 14.235,1136 1.519,1137 5.014,1138 26.291,1139 2.622,1140 15.887,1141 20.989,1142 1.69,1143 31.913,1144 15.289,1145 1.203,1146 4.333,1147 28.098,1148 2.327,1149 16.96,1150 22.451,1152 34.149,1153 16.318,1154 3322,1155 6044,1156 13.929,1157 21.619,1158 32.486,1159 32.756,1160 32.816,1161 31.876,1162 31.897,1163 44.377,1164 2.117,1165 92.397,1166 30.357,1167 5.335,1168 5.577,1169 5.597,1170 5.092,1171 5.041,1172 7.441,1173 2.117,1174 16.109,1175 4.915,1176 9.074,1177 1.547,1178 1.56,1179 1.563,1180 1.518,1181 1.519,1182 2.113,1183 0.101,1184 4.4,1185 1.446,1186 4.071,1187 4.084,1188 4.32,1189 4.06,1190 7.429,1191 4.017,1192 3.878,1193 3.903,1194 3.858,1195 3.673,1196 5.221,1197 3.705,1198 3.518,1199 3.547,1200 3.588,1201 3.428,1202 4.951,1203 3.398,1204 3.216,1205 3.285,1206 3.152,1207 3.008,1208 4.273,1209 3.017,1210 2.985,1211 3.071,1212 2.873,1213 2.811,1214 3.935,1215 2.774,1216 2.89,1217 2.945,1218 2.768,1219 2.776,1220 3.79,1221 2.752,1222 2.693,1223 2.772,1224 2.53,1225 2.409,1226 3.703,1227 2.432,1228 2.295,1229 2.335,1230 2.227,1231 1.973,1232 3.591,1233 1.893,1234 0.214,1235 0.17,1236 0.3,1237 0.19,1238 0.145,1239 4.501,1240 0.211,1241 3.577,1242 0.05,1243 6.306,1244 0.459,1245 3.99,1246 0.139,1247 3.041,1248 4.441,1249 1.058,1250 9.647,1251 2.915,1252 1.921,1253 1.908,1254 1.977,1255 1.995,1256 1.132,1257 1.996,1258 1.57,1259 1.532,1260 1.766,1261 1.739,1262 0.849,1263 1.745,1264 1.481,1265 1.444,1266 1.672,1267 1.66,1268 0.792,1269 1.672,1270 1.317,1271 1.277,1272 1.464,1273 1.601,1274 0.468,1275 1.579,1276 1.005,1277 0.984,1278 1.17,1279 1.235,1280 0.264,1281 1.189,1282 0.91,1283 0.852,1284 1.065,1285 1.036,1286 0.21,1287 1.091,1288 0.616,1289 0.533,1290 0.885,1291 1.016,1293 1,1294 0.532,1295 0.473,1296 0.674,1297 0.863,1299 0.847,1300 3.761,1302 5.094,1303 3.045,1304 6.589,1305 5.352,1306 8.16,1307 7.368,1308 9.776,1310 3.72,1317 2.691,1326 20.788,1327 54.292,1328 113.697,1329 123.697,1330 137.697,1331 137.697,1332 137.697,1333 24.795,1334 6.525,1335 68.02,1336 96.26,1337 16,1338 12.129,1339 4.087,1340 3.248,1341 27.939,1342 57,1343 54,1344 0.243,1345 132.305,1346 214.29,1347 314.585,1348 5109,1350 13.405,1351 0.706,1352 0.592,1353 13.759,1354 11.245,1355 9.114,1356 0.434,1357 0.312,1358 5.722,1359 8.23,1360 5.448,1361 4.539,1362 9.522,1363 6.552,1364 8.667,1365 0.289,1366 0.181,1367 9.396,1368 5.427,1369 6.904,1370 0.182,1371 0.094,1372 7.59,1373 3.561,1374 5.866,1375 0.117,1376 0.053,1377 6.638,1378 2.661,1379 4.232,1380 0.077,1381 0.03,1382 4.89,1383 1.66,1384 0.377,1385 61.524,1386 0.268,1387 19.036,1388 0.676,1389 102,1390 339.955,1391 139.82,1392 347.095,1393 476.04,1394 324,1395 119,1396 346.473,1397 150.687,1398 360.943,1399 522.43,1400 339,1401 6.777}
{0 CHEMBL1606097,1 1.917,2 9.739,3 4.25,4 18.065,5 97.407,6 9.485,7 0.417,8 3.753,9 3.861,10 3.557,11 3.389,12 4.936,13 3.322,14 4.248,15 4.399,16 4.019,17 3.79,18 5.442,19 3.699,20 4.497,21 4.638,22 4.214,23 3.926,24 5.791,25 3.796,26 4.641,27 4.878,28 4.012,29 3.76,30 5.921,31 3.63,32 4.192,33 4.364,34 3.864,35 3.56,36 5.557,37 3.426,38 4.147,39 4.295,40 3.701,41 3.482,42 5.491,43 3.323,44 4.063,45 4.281,46 3.661,47 3.335,48 5.42,49 3.211,50 3.943,51 4.144,52 3.496,53 3.316,54 5.156,55 3.195,56 0.097,57 0.572,58 5.627,59 3.453,60 7.684,61 3.965,62 0.259,63 0.91,64 13.927,65 6.265,66 30.889,67 7.449,68 0.323,69 1.106,70 24.133,71 8.949,72 34.504,73 9.353,74 0.794,75 1.149,76 37.832,77 10.403,78 113.687,79 10.549,80 0.357,81 0.789,82 21.85,83 6.93,84 44.061,85 7.201,86 0.357,87 0.847,88 27.443,89 7.193,90 49.98,91 5.425,92 0.431,93 0.699,94 19.427,95 5.186,96 63.29,97 5.232,98 0.181,99 0.584,100 14.385,101 5.321,102 20.924,103 6.05,104 57,105 35,106 0.343,107 0.68,108 0.738,109 0.784,110 0.794,111 0.794,112 3.187,113 1.049,114 -4.3,115 -4.24,116 -4,120 38.5,121 3,124 1,143 4,144 1,145 1,153 2,159 2,160 1,171 1,174 7,177 1,180 2,181 1,182 1,185 10,189 4,192 1,193 1,194 4,197 6,201 2,204 1,206 4,209 3,214 2,217 2,219 8,222 1,227 2,232 8,239 1,240 1,245 4,252 4,257 2,260 1,264 2,269 2,271 5,274 709,275 14.455,276 14.455,277 14.455,278 14.455,279 14.455,280 12.882,281 13.482,282 8.257,283 14.871,284 11.78,285 11.78,286 11.78,287 11.78,288 11.78,289 9.241,290 14.606,291 3.888,292 12.53,293 3.368,294 1.488,295 1.161,296 0.905,297 0.853,298 0.853,299 3.837,303 1,306 1,307 1,308 458,309 4.472,312 54.286,313 71.154,316 105.525,320 1.512,321 26.864,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 49.833,333 224,334 4.645,335 3.993,336 7.057,337 4.295,338 3.291,339 4.587,340 1.948,341 11.364,342 3.299,343 4.386,344 3.707,345 6.778,346 4.135,347 3.214,348 3.527,349 1.674,350 11.049,351 2.935,352 3.889,353 3.627,354 5.905,355 3.503,356 2.524,357 3.306,358 0.98,359 8.03,360 2.465,361 3.61,362 3.157,363 5.116,364 3.185,365 2.295,366 2.782,368 6.283,369 2.022,370 3.264,371 2.474,372 4.977,373 2.747,374 1.839,375 2.555,377 5.347,378 1.633,379 3.017,380 2.312,381 4.36,382 2.476,383 1.538,384 2.232,386 4.001,387 1.415,388 2.765,389 1.671,390 4.155,391 2.369,392 1.363,393 1.738,395 3.425,396 1.351,397 2.659,398 1.316,399 3.605,400 2.135,401 1.174,402 1.638,404 2.823,405 1.092,406 2.118,407 1.275,408 3.372,409 1.577,410 0.715,411 0.963,413 1.727,414 0.564,415 1.709,416 1.088,417 2.984,418 1.324,419 0.343,420 0.431,422 0.773,423 0.326,424 1,425 0.848,426 2.559,427 0.431,428 -0.442,429 -0.555,431 -1.042,432 -0.293,433 0.926,434 0.124,435 2.259,436 0.363,437 -0.538,438 -0.725,440 -1.267,441 -0.484,442 0.658,443 -0.025,444 2,445 0.14,446 -0.822,447 -1,449 -2.018,450 -0.778,451 0.441,452 -0.54,453 2,455 -1,456 -1,458 -2.433,459 -0.901,460 0.278,461 -0.769,462 2,464 -1,465 -1.2,467 -3,468 -1,469 11.748,470 0.511,471 0.889,472 0.039,473 25.75,474 1.12,475 12,476 0.522,477 13.75,478 0.598,479 22.604,480 0.983,481 24.852,482 0.637,483 18.126,484 0.788,485 4.826,486 0.21,487 5.872,488 0.255,489 0.316,490 0.043,491 0.298,496 0.673,497 0.953,498 0.598,499 0.701,500 0.58,501 0.786,502 0.487,503 0.924,504 0.579,505 0.728,506 0.511,507 0.724,508 0.879,509 1.376,510 0.899,511 1.199,512 0.987,513 1.188,514 1.384,515 0.729,516 0.92,517 0.743,518 1.463,519 0.688,520 0.911,521 1.205,522 1.141,523 1.124,524 0.822,525 0.979,526 1.792,527 1.478,528 1.784,529 1.589,530 1.702,531 1.299,532 1.131,533 0.696,534 0.719,535 0.573,536 0.865,537 0.66,538 0.802,539 0.824,540 0.668,541 0.795,542 0.838,543 0.764,544 6.5,545 0.172,546 3.556,547 2.139,548 1.427,549 0.563,550 0.371,551 0.372,552 0.222,553 0.229,554 5345,555 18604,556 1.888,557 41,558 9,559 4,562 3,567 1.654,568 1.693,569 3.263,570 1.118,572 1,575 74.772,576 1.917,577 3.797,578 4.124,579 4.381,580 4.432,581 4.432,582 2.682,583 4.317,584 4.499,585 3.463,586 876.206,587 7.725,588 10289.4,590 1,592 1,593 206.131,594 1.771,595 4.392,596 0.271,597 0.011,598 0.102,599 0.063,600 0.051,601 0.023,602 0.019,603 0.02,604 0.012,605 0.013,606 0.583,607 0.33,608 1,609 2.096,610 108.909,611 -0.043,612 0.155,613 0.008,614 0.09,615 -0.079,616 0.056,617 0.215,618 0.12,619 0.18,620 0.157,621 0.113,622 0.197,623 0.06,624 -0.359,625 0.037,626 -0.221,627 -0.038,628 -0.256,629 -0.052,630 0.214,631 0.121,632 0.23,633 -0.057,634 0.295,635 0.155,636 -0.191,637 0.02,638 -0.073,639 0.172,640 -0.006,641 -0.498,642 -0.253,643 -0.471,644 -0.342,645 -0.394,646 -0.391,647 0.014,648 0.38,649 0.201,650 0.336,651 0.176,652 0.25,653 0.073,654 0.082,655 0.212,656 0.139,657 0.105,658 0.243,659 2.08,660 5.202,661 0.391,662 18.325,663 1.016,664 1.118,665 3.074,666 9.45,667 0.728,668 3.219,669 3.584,670 3.761,671 3.912,672 4.06,673 4.007,674 4.043,675 4.078,676 3.932,677 3.85,678 6.109,679 0.676,680 369.93,681 3.219,682 4.779,683 5.609,684 6.494,685 7.351,686 8.234,687 9.102,688 9.986,689 10.861,690 11.746,691 7.7,698 3,708 2,709 4,713 1,714 2,716 10,737 1,738 39,739 13,740 1,741 24,743 40,744 15,745 8,746 2,747 4,748 1,752 2,753 3,754 1,757 1,759 3,760 1,768 11,769 4,772 3,778 2,779 1,782 3,786 1,789 16,790 5,791 3,792 8,793 3,797 3,800 1,801 1,803 0.5,804 2,822 1,823 1,826 1,855 1,857 2,859 3,860 1,862 23,871 3,876 1,880 1,885 1,886 5.1,889 2,893 13.583,894 7.893,895 4.944,896 2.119,898 2.182,899 1.336,900 0.938,901 5.73,902 8.685,903 3.497,904 4.099,905 4.626,906 5.161,907 5.635,908 5.903,909 6.209,910 6.507,911 6.304,912 6.193,913 1,914 34,915 8.483,917 3.58,918 8.023,919 15.674,921 12.461,924 2.523,925 58.028,929 153.024,930 158.722,931 53.787,932 39.149,933 50.29,935 76.47,936 82.252,937 242.463,938 53.787,939 26.476,940 53.787,941 37.905,942 59.699,943 6.074,944 2.389,945 184.302,946 84.341,947 153.024,948 136.039,949 50.29,950 115.618,952 153.024,953 50.29,956 80.263,957 55.777,958 39.149,959 76.47,960 153.024,961 104.077,962 197.871,965 153.024,966 49.149,967 64.381,968 53.787,969 134.631,970 153.024,971 104.077,972 197.871,973 0.602,974 0.337,975 0.155,976 0.084,977 16,978 9,979 0.075,980 3,981 1,982 1.222,983 3.391,984 171.591,985 0.222,986 9,987 99.287,989 1,990 1,993 18.263,994 7.216,995 4.473,996 1.749,997 104.077,998 7.487,1002 1.287,1003 0.778,1005 53.787,1006 454.972,1007 32,1013 23.993,1014 4.977,1017 -0.636,1020 39.622,1021 43.604,1022 0.363,1023 0.718,1024 0.78,1025 0.829,1026 0.839,1027 0.839,1028 4.758,1029 1.174,1030 5.673,1031 3.425,1032 4.263,1033 4.783,1034 2.622,1035 6.538,1036 4.147,1037 6.013,1038 0.715,1039 7.292,1040 2.823,1041 4.205,1042 4.856,1043 2.029,1044 7.779,1045 4.063,1046 7.36,1047 0.343,1048 9.024,1049 1.727,1050 5.979,1051 7.029,1052 3.479,1053 10.767,1054 5.791,1055 8.742,1056 -0.442,1057 10.819,1058 0.773,1059 6.673,1060 7.88,1061 3.472,1062 12.759,1063 6.473,1064 10.155,1065 -0.538,1066 12.655,1067 -1.042,1068 8.039,1069 9.634,1070 4.534,1071 15.362,1072 7.806,1073 11.589,1074 -0.822,1075 14.516,1076 -1.267,1077 9.028,1078 10.843,1079 4.831,1080 17.62,1081 8.783,1082 13.041,1083 -1,1084 16.396,1085 -2.018,1086 10.264,1087 12.445,1088 5.698,1089 20.101,1090 9.995,1091 3.291,1092 -1,1093 18.29,1094 -2.433,1095 11.367,1096 13.823,1097 6.156,1098 22.457,1099 11.087,1100 3.214,1101 11.364,1102 20.194,1103 -3,1104 12.561,1105 15.369,1106 6.922,1107 24.898,1108 12.265,1109 2.524,1110 11.049,1111 22.106,1112 4.587,1113 13.709,1114 16.824,1115 7.468,1116 27.292,1117 13.403,1118 2.295,1119 8.03,1120 24.023,1121 3.527,1122 14.891,1123 18.351,1124 8.182,1125 29.718,1126 14.575,1127 1.839,1128 6.283,1129 25.945,1130 3.306,1131 16.058,1132 19.842,1133 8.778,1134 32.127,1135 15.734,1136 1.538,1137 5.347,1138 27.871,1139 2.782,1140 17.238,1141 21.364,1142 9.465,1143 34.549,1144 16.906,1145 1.363,1146 4.001,1147 29.799,1148 2.555,1149 18.412,1150 22.872,1151 10.089,1152 36.963,1153 18.076,1154 5493,1155 10410,1156 14.622,1157 28.409,1158 37.455,1159 40.454,1160 38.288,1161 36.74,1162 36.592,1163 47.519,1164 9.204,1165 109.644,1166 34.203,1167 5.588,1168 5.993,1169 6.738,1170 5.414,1171 5.291,1172 7.587,1173 3.385,1174 18.651,1175 5.299,1176 15.782,1177 1.561,1178 1.686,1179 1.595,1180 1.531,1181 1.525,1182 1.98,1183 0.383,1184 4.568,1185 1.425,1186 4.082,1187 4.081,1188 4.388,1189 4.115,1190 7.431,1191 4.059,1192 3.812,1193 3.857,1194 3.934,1195 3.672,1196 7.426,1197 3.668,1198 3.578,1199 3.634,1200 3.622,1201 3.435,1202 4.971,1203 3.419,1204 3.386,1205 3.418,1206 3.541,1207 3.336,1208 4.85,1209 3.259,1210 3.104,1211 3.155,1212 3.465,1213 2.875,1214 4.528,1215 2.89,1216 2.904,1217 3.009,1218 3.186,1219 2.857,1220 4.256,1221 2.811,1222 2.874,1223 3.009,1224 2.883,1225 2.618,1226 4.047,1227 2.596,1228 2.874,1229 2.948,1230 2.657,1231 2.618,1232 3.832,1233 2.57,1234 0.194,1235 0.166,1236 0.294,1237 0.179,1238 0.137,1239 4.645,1240 0.191,1241 3.993,1242 0.081,1243 7.057,1244 0.474,1245 4.295,1246 0.137,1247 3.291,1248 4.587,1249 1.948,1250 11.364,1251 3.299,1252 1.917,1253 1.902,1254 1.992,1255 1.965,1256 1.18,1257 1.985,1258 1.769,1259 1.724,1260 1.984,1261 1.944,1262 1.135,1263 1.955,1264 1.552,1265 1.556,1266 1.53,1267 1.757,1268 0.703,1269 1.727,1270 1.316,1271 1.281,1272 1.417,1273 1.486,1274 0.469,1275 1.491,1276 0.983,1277 0.958,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.886,1284 1.326,1285 1.239,1286 0.365,1287 1.308,1288 0.934,1289 0.804,1290 1.149,1291 1.232,1292 0.262,1293 1.223,1294 0.925,1295 0.804,1296 1.056,1297 1.013,1298 0.14,1299 1.067,1300 3.892,1302 5.242,1303 2.398,1304 6.763,1305 4.844,1306 8.357,1307 7.034,1308 9.991,1310 5.293,1311 6.231,1317 7.447,1322 -0.579,1326 26.383,1327 74.772,1328 148.092,1329 160.846,1330 170.846,1331 172.846,1332 172.846,1333 59.859,1334 6.503,1335 70.23,1336 130.56,1337 11,1338 12.281,1339 3.807,1340 3.17,1341 45.556,1342 85,1343 65,1344 0.265,1345 178.347,1346 305.87,1347 426.927,1348 4988,1349 2.6,1350 17.198,1351 0.748,1352 0.661,1353 18.552,1354 15.209,1355 10.697,1356 0.446,1357 0.35,1358 6.847,1359 9.427,1360 6.399,1361 5.392,1362 11.683,1363 8.39,1364 10.63,1365 0.304,1366 0.22,1367 11.987,1368 7.692,1369 7.974,1370 0.19,1371 0.115,1372 9.651,1373 4.817,1374 5.69,1375 0.116,1376 0.065,1377 7.399,1378 3.208,1379 4.435,1380 0.078,1381 0.038,1382 5.887,1383 2.185,1384 0.42,1385 76.8,1386 0.262,1387 22.762,1388 0.71,1389 118,1390 382.394,1391 183.046,1392 444.935,1393 575.26,1394 408,1395 136,1396 358.09,1397 197.419,1398 398.95,1399 581,1400 371,1401 5.514}
{0 CHEMBL1606427,1 1.686,2 14.071,3 4.985,4 24.848,5 107.33,6 9.182,7 0.6,8 3.874,9 3.954,10 3.6,11 3.482,12 5.182,13 3.483,14 4.296,15 4.39,16 3.946,17 3.818,18 5.717,19 3.802,20 4.542,21 4.689,22 4.017,23 3.895,24 5.836,25 3.863,26 4.558,27 4.727,28 3.933,29 3.707,30 5.967,31 3.695,32 4.349,33 4.53,34 3.624,35 3.551,36 5.65,37 3.533,38 4.194,39 4.35,40 3.634,41 3.601,42 5.451,43 3.544,44 4.251,45 4.416,46 3.623,47 3.669,48 5.501,49 3.577,50 4.249,51 4.45,52 3.412,53 3.557,54 5.383,55 3.446,56 0.14,57 0.549,58 5.441,59 3.567,60 13.173,61 3.668,62 0.344,63 0.817,64 9.209,65 5.581,66 42.183,67 6.005,68 0.373,69 1.03,70 17.047,71 7.596,72 32.818,73 8.266,74 0.695,75 1.018,76 23.083,77 7.568,78 69.732,79 7.581,80 0.522,81 0.848,82 17.404,83 6.041,84 70.013,85 6.071,86 0.39,87 0.732,88 11.927,89 5.351,90 39.031,91 6.072,92 0.357,93 0.759,94 14.659,95 6.131,96 35.341,97 7.405,98 0.318,99 0.76,100 16.247,101 6.397,102 32.958,103 7.999,104 18,105 40,106 0.289,107 0.532,108 0.681,109 0.828,110 0.866,111 0.866,112 3.373,113 0.86,114 -5.49,115 -5.36,116 -5.01,120 48.8,143 12,144 3,145 3,156 1,159 2,168 1,170 1,172 1,174 12,175 1,176 1,177 6,180 1,182 3,185 14,186 2,189 10,194 5,197 8,198 2,201 15,206 5,209 3,214 5,219 2,220 1,222 6,226 1,227 1,228 1,230 1,231 1,235 15,239 1,243 2,247 18,251 1,252 1,260 11,261 1,264 4,267 1,269 2,271 3,272 2,274 1300,275 18.775,276 18.775,277 18.775,278 18.775,279 18.775,280 16.106,281 14.393,282 11.219,283 19.058,284 14.778,285 14.778,286 14.778,287 14.778,288 14.778,289 10.832,290 10.822,291 5.312,292 15.274,293 3.741,294 2.323,295 1.456,296 0.596,297 0.372,298 0.372,299 4.056,303 1,306 1,307 1,308 832,309 3.606,313 327.325,320 2.357,321 33.806,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 61.333,333 394,334 4.324,335 3.72,336 6.395,337 3.931,338 2.972,339 3.927,340 1.674,341 9.673,342 2.829,343 4.167,344 3.576,345 5.929,346 3.782,347 2.785,348 3.759,349 1.437,350 8.227,351 2.769,352 4.051,353 2.96,354 5.515,355 3.617,356 2.641,357 3.663,359 7.439,360 2.582,361 3.717,362 2.751,363 5.302,364 3.349,365 2.376,366 3.058,368 6.799,369 2.305,370 3.586,371 2.644,372 5.189,373 3.177,374 2.23,375 2.906,377 6.5,378 2.09,379 3.287,380 2.382,381 4.754,382 2.812,383 1.842,384 2.525,386 4.947,387 1.755,388 2.862,389 1.937,390 3.812,391 2.353,392 1.414,393 2.015,395 3.089,396 1.329,397 2.849,398 1.673,399 3.785,400 2.347,401 1.359,402 1.868,404 3.051,405 1.252,406 2.659,407 1.524,408 3.569,409 2.073,410 1.095,411 1.591,413 2.611,414 1.061,415 2.535,416 1.315,417 3.414,418 2,419 1,420 1.5,422 2.352,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.404,436 1.995,437 1,438 1.469,440 2.275,441 0.986,442 1.488,443 0.786,444 2.815,445 1.178,446 0.211,447 0.255,449 0.501,450 0.201,451 1.238,452 0.494,453 2.572,454 0.782,455 -0.134,456 -0.169,458 -0.318,459 -0.107,460 1.092,461 0.393,462 2,463 0.58,464 -0.303,465 -0.399,467 -0.66,468 -0.238,469 13.348,470 0.477,471 0.647,472 0.023,473 40.5,474 1.446,475 23.5,476 0.839,477 17,478 0.607,479 17.525,480 0.626,481 28.652,482 0.666,483 30.793,484 1.1,485 8.534,486 0.305,487 4.991,488 0.178,489 0.128,491 0.3,496 0.726,497 0.907,498 0.581,499 0.814,500 0.685,501 0.764,502 0.58,503 1.154,504 0.701,505 1.01,506 0.478,507 0.988,508 0.974,509 1.254,510 0.953,511 1.124,512 0.752,513 1.075,514 1.33,515 1.118,516 1.15,517 1.099,518 1.191,519 1.034,520 1.456,521 0.861,522 0.985,523 0.749,524 1.49,525 0.817,526 0.749,527 0.821,528 0.838,529 0.792,530 0.794,531 0.928,532 0.543,533 0.92,534 1.144,535 1.072,536 0.581,537 1.162,538 0.597,539 1.015,540 1.069,541 1.134,542 0.558,543 1.192,544 5.5,545 0.103,546 3.111,547 1.5,548 1.107,549 0.854,550 0.406,551 0.214,552 0.258,553 0.172,554 11588,555 41838,556 2.034,557 34.9,559 12,561 1,562 2,567 1.7,568 1.909,569 3.744,570 0.247,575 72.487,576 1.686,577 3.103,578 3.97,579 4.831,580 5.054,581 5.054,582 3.244,583 4.253,584 4.779,585 3.968,586 1499.91,587 8.254,588 21773.7,590 1,593 233.329,594 1.379,595 4.74,596 0.183,597 0.005,598 0.078,599 0.038,600 0.034,601 0.031,602 0.014,603 0.008,604 0.012,605 0.009,606 0.411,607 0.17,608 0.88,609 0.744,610 146.129,611 -0.047,612 0.136,613 -0.003,614 0.06,615 -0.109,616 0.046,617 0.17,618 -0.138,619 -0.023,620 -0.112,621 0.163,622 -0.14,623 -0.102,624 -0.257,625 -0.037,626 -0.173,627 -0.018,628 -0.13,629 -0.111,630 -0.108,631 -0.044,632 -0.126,633 -0.053,634 -0.07,635 -0.305,636 0.171,637 -0.07,638 0.203,639 -0.262,640 0.151,641 0.055,642 0.189,643 -0.004,644 0.159,645 -0.036,646 0.032,647 0.122,648 0.043,649 -0.131,650 -0.076,651 0.042,652 -0.146,653 0.054,654 -0.075,655 -0.074,656 -0.118,657 0.033,658 -0.101,659 2.648,660 5.135,661 0.643,662 32.459,663 1.024,664 1.109,665 4.256,666 18.111,667 0.721,668 3.434,669 3.714,670 3.912,671 4.06,672 4.22,673 4.174,674 4.19,675 4.174,676 4.277,677 4.369,678 8.306,679 0.707,680 394.83,681 3.434,682 4.949,683 5.765,684 6.605,685 7.433,686 8.274,687 9.105,688 9.947,689 10.779,690 11.621,691 4.7,696 1,700 1,709 12,714 6,716 18,725 1,726 1,737 1,738 43,739 21,740 3,741 30,743 45,744 21,745 18,746 6,747 12,748 3,752 3,753 3,754 1,755 1,768 21,772 3,778 2,780 1,781 1,782 2,789 15,790 6,791 2,792 7,793 1,797 2,803 1,804 4,823 3,853 1,855 3,860 1,862 28,868 1,871 1,872 1,885 1,886 9.3,888 1,889 2,891 1,893 14.667,894 7.626,895 6.25,896 2.313,898 3.828,899 1.534,900 0.958,901 6.427,902 10.997,903 3.761,904 4.324,905 4.846,906 5.338,907 5.823,908 5.892,909 6.155,910 6.364,911 6.699,912 7.144,913 1,914 40,915 10.266,917 4.323,918 8.087,919 18.791,921 14.7,924 2.587,925 72.444,928 1,929 153.024,930 151.921,931 34.551,932 39.149,933 103.973,936 151.921,937 296.146,938 34.551,941 113.715,942 139.781,943 48.72,945 141.253,946 39.149,947 153.024,948 186.472,949 103.973,950 39.149,952 153.024,953 103.973,956 16.663,957 142.874,958 66.084,960 153.024,961 138.524,962 191.07,965 153.024,966 29.159,967 122.762,968 17.888,969 159.785,970 153.024,971 138.524,972 191.07,973 0.576,974 0.328,975 0.162,976 0.083,977 17,978 8,979 0.156,980 7,982 1,983 4.148,984 218.958,986 18,987 126.606,993 19.614,994 9.175,995 5.43,997 138.524,998 19.685,1003 2.668,1005 60.572,1006 482.618,1007 42,1013 22.95,1015 1.588,1016 4.089,1017 -1.51,1020 44.022,1021 47.685,1022 0.311,1023 0.572,1024 0.732,1025 0.89,1026 0.931,1027 0.931,1028 4.959,1029 1.359,1030 5.727,1031 3.089,1032 4.394,1033 5.011,1034 2.374,1035 6.46,1036 4.33,1037 6.159,1038 1.095,1039 7.245,1040 3.051,1041 3.892,1042 4.663,1044 7.226,1045 3.764,1046 7.443,1047 1,1048 8.86,1049 2.611,1050 5.922,1051 7.143,1052 3.228,1053 10.247,1054 5.801,1055 8.759,1056 1,1057 10.533,1058 2.352,1059 6.217,1060 7.575,1062 11.828,1063 6.035,1064 10.103,1065 1,1066 12.241,1067 2.275,1068 7.707,1069 9.522,1070 4.138,1071 14.349,1072 7.53,1073 11.467,1074 0.211,1075 13.975,1076 2.275,1077 8.376,1078 10.336,1080 16.279,1081 8.141,1082 12.846,1083 -0.134,1084 15.728,1085 0.501,1086 9.629,1087 12.026,1088 5.081,1089 18.623,1090 9.391,1091 2.972,1092 -0.303,1093 17.494,1094 -0.318,1095 10.487,1096 13.052,1098 20.718,1099 10.196,1100 2.785,1101 9.673,1102 19.271,1103 -0.66,1104 11.632,1105 14.601,1106 6.046,1107 22.998,1108 11.326,1109 2.641,1110 8.227,1111 21.057,1112 3.927,1113 12.587,1114 15.75,1116 25.174,1117 12.232,1118 2.376,1119 7.439,1120 22.851,1121 3.759,1122 13.682,1123 17.218,1124 7.027,1125 27.434,1126 13.305,1127 2.23,1128 6.799,1129 24.652,1130 3.663,1131 14.689,1132 18.443,1134 29.651,1135 14.265,1136 1.842,1137 6.5,1138 26.458,1139 3.058,1140 15.764,1141 19.862,1142 8.021,1143 31.907,1144 15.311,1145 1.414,1146 4.947,1147 28.269,1148 2.906,1149 16.797,1150 21.133,1152 34.146,1153 16.3,1154 11225,1155 21472,1156 19.879,1157 31.017,1158 44.65,1159 46.071,1160 45.263,1161 44.096,1162 43.848,1163 60.071,1164 6.222,1165 119.481,1166 42.316,1167 5.151,1168 5.72,1169 6.08,1170 4.991,1171 4.972,1172 6.927,1173 3.349,1174 16.293,1175 4.829,1176 14.454,1177 1.488,1178 1.536,1179 1.509,1180 1.47,1181 1.462,1182 2.002,1183 0.207,1184 3.983,1185 1.411,1186 3.98,1187 4.003,1188 4.027,1189 3.9,1190 7.475,1191 3.901,1192 3.914,1193 3.933,1194 3.897,1195 3.845,1196 7.433,1197 3.844,1198 3.864,1199 3.887,1200 3.83,1201 3.812,1202 6.351,1203 3.807,1204 3.411,1205 3.454,1206 3.38,1207 3.159,1208 4.94,1209 3.202,1210 3.278,1211 3.265,1212 3.308,1213 3.039,1214 4.888,1215 3.083,1216 3.137,1217 3.156,1218 3.23,1219 2.923,1220 4.742,1221 2.948,1222 2.879,1223 2.925,1224 3.071,1225 2.795,1226 4.51,1227 2.768,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.338,1233 2.715,1234 0.144,1235 0.124,1236 0.213,1237 0.131,1238 0.099,1239 4.324,1240 0.131,1241 3.72,1242 0.056,1243 6.395,1244 0.322,1245 3.931,1246 0.094,1247 2.972,1248 3.927,1249 1.674,1250 9.673,1251 2.829,1252 1.921,1253 1.902,1254 2.016,1255 2.027,1256 1.092,1257 2.024,1258 1.897,1259 1.877,1260 1.99,1261 1.989,1262 1.077,1263 1.99,1264 1.864,1265 1.843,1266 1.963,1267 1.936,1268 1.056,1269 1.949,1270 1.275,1271 1.237,1272 1.401,1273 1.565,1274 0.357,1275 1.513,1276 1.126,1277 1.127,1278 1.232,1279 1.404,1280 0.24,1281 1.338,1282 1.022,1283 0.999,1284 1.181,1285 1.296,1286 0.218,1287 1.246,1288 0.886,1289 0.824,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.173,1297 1.062,1298 0.2,1299 1.107,1300 4.111,1302 5.398,1304 6.874,1306 8.43,1308 10.023,1311 5.988,1314 8.868,1317 2.81,1318 5.309,1326 30.417,1327 72.487,1328 133.449,1329 170.7,1330 207.72,1331 217.329,1332 217.329,1333 56.943,1334 7.169,1335 87.99,1336 87.99,1337 18,1338 12.187,1339 4.459,1340 3.7,1341 50.294,1342 142,1343 124,1344 0.17,1345 192.807,1346 342.77,1347 462.209,1348 13832,1349 2.3,1350 19.933,1351 0.712,1352 0.545,1353 20.433,1354 15.259,1355 13.525,1356 0.451,1357 0.287,1358 8.147,1359 12.762,1360 7.965,1361 6.624,1362 13.814,1363 8.598,1364 11.981,1365 0.3,1366 0.152,1367 12.352,1368 6.098,1369 9.639,1370 0.197,1371 0.083,1372 9.998,1373 4.053,1374 7.486,1375 0.131,1376 0.044,1377 7.835,1378 2.492,1379 5.635,1380 0.084,1381 0.023,1382 5.805,1383 1.547,1384 0.282,1385 87.827,1386 0.224,1387 27.798,1388 0.429,1389 140,1390 495.538,1391 169.588,1392 506.763,1393 664.44,1394 468,1395 159,1396 453.538,1397 183.426,1398 467.454,1399 673.46,1400 438,1401 6.777}
{0 CHEMBL1607086,1 1.736,2 12.963,3 2.758,4 7.609,5 97.648,6 8.567,7 0.586,8 3.897,9 3.995,10 3.57,11 3.37,12 5.188,13 3.401,14 4.364,15 4.49,16 3.881,17 3.696,18 5.75,19 3.726,20 4.517,21 4.668,22 3.876,23 3.754,24 5.804,25 3.759,26 4.588,27 4.766,28 3.779,29 3.691,30 5.921,31 3.674,32 4.459,33 4.669,34 3.67,35 3.627,36 5.658,37 3.588,38 4.412,39 4.607,40 3.623,41 3.611,42 5.646,43 3.576,44 4.339,45 4.51,46 3.622,47 3.585,48 5.749,49 3.558,50 4.277,51 4.464,52 3.537,53 3.498,54 5.518,55 3.467,56 0.241,57 0.644,58 6.684,59 3.617,60 6.368,61 4,62 0.529,63 0.94,64 13.193,65 5.518,66 52.304,67 6.135,68 0.548,69 1.049,70 16.109,71 6.575,72 26.707,73 7.503,74 0.839,75 1.019,76 20.486,77 7.017,78 76.696,79 8.37,80 0.609,81 0.94,82 18.555,83 6.551,84 49.62,85 8.756,86 0.661,87 0.896,88 17.433,89 6.081,90 66.519,91 7.64,92 0.631,93 0.843,94 15.173,95 5.786,96 78.525,97 7.021,98 0.363,99 0.808,100 13.651,101 5.513,102 20.924,103 7.036,104 21,105 39,106 0.298,107 0.633,108 0.761,109 0.833,110 0.849,111 0.865,112 3.339,113 0.818,114 -3.86,115 -3.81,116 -3.62,120 41.9,125 1,126 1,143 8,144 2,145 3,146 1,152 1,159 1,167 3,170 1,174 8,176 1,177 6,180 2,182 1,185 8,188 3,189 9,194 2,197 5,200 5,201 7,204 1,206 2,209 2,213 1,214 6,217 2,219 1,222 6,226 2,227 4,230 1,235 8,239 3,240 6,247 6,251 1,252 10,257 2,260 2,264 11,269 2,274 1214,275 18.179,276 18.179,277 18.179,278 18.179,279 18.179,280 15.742,281 21.216,282 10.756,283 18.589,284 14.239,285 14.239,286 14.239,287 14.239,288 14.239,289 10.502,290 22.479,291 5.046,292 14.787,293 3.69,294 1.74,295 0.994,296 0.576,297 0.483,298 0.39,299 4.02,305 1,306 1,307 1,308 738,309 3.606,312 84.411,313 198.607,320 2.115,321 34.242,323 1,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 61,333 350,334 4.324,335 3.782,336 6.107,337 3.909,338 2.922,339 4.022,340 2.612,341 8.942,342 2.892,343 4.205,344 3.563,345 5.977,346 3.767,347 2.79,348 3.802,349 1.151,350 8.466,351 2.71,352 4.035,353 3.017,354 5.495,355 3.604,356 2.652,357 3.633,358 0.98,359 7.374,360 2.517,361 3.754,362 2.8,363 5.328,364 3.362,365 2.383,366 3.171,367 0.86,368 6.859,369 2.334,370 3.57,371 2.555,372 5.155,373 3.119,374 2.18,375 2.908,377 6.298,378 2.06,379 3.449,380 2.507,381 5.063,382 3.031,383 2.067,384 2.742,386 6.064,387 1.956,388 2.897,389 1.901,390 4.066,391 2.413,392 1.416,393 2.004,395 3.482,396 1.405,397 2.702,398 1.638,399 3.626,400 2.146,401 1.157,402 1.735,404 2.668,405 1.143,406 2.509,407 1.324,408 3.466,409 2,410 1,411 1.5,413 2.314,414 1,415 2.5,416 1.169,417 3.414,418 1.949,419 0.935,420 1.423,422 2.275,423 0.943,424 2.175,425 1,426 3.253,427 1.656,428 0.777,429 0.997,431 1.698,432 0.675,433 1.954,434 1,435 3.22,436 1.603,437 0.658,438 0.885,440 1.604,441 0.62,442 1.583,443 0.932,444 2.717,445 1.3,446 0.426,447 0.479,449 0.69,450 0.368,451 1,452 0.739,453 2.616,454 0.639,455 -0.341,456 -0.416,458 -0.719,459 -0.318,460 0.997,461 0.341,462 2.272,463 0.587,464 -0.38,465 -0.476,467 -1.013,468 -0.375,469 12.267,470 0.454,471 0.626,472 0.023,473 39.25,474 1.454,475 22,476 0.815,477 17.25,478 0.639,479 16.429,480 0.608,481 29.133,482 0.678,483 30.062,484 1.113,485 8.247,486 0.305,487 4.799,488 0.178,489 0.122,491 0.31,496 0.569,497 1.067,498 0.64,499 1.044,500 0.532,501 0.907,502 0.93,503 1.114,504 0.832,505 0.984,506 0.522,507 0.899,508 0.991,509 1.155,510 1.031,511 1.22,512 0.739,513 1.155,514 1.085,515 0.951,516 1.114,517 1.032,518 1.135,519 1.09,520 0.626,521 0.994,522 0.81,523 0.988,524 0.68,525 0.963,526 0.835,527 0.827,528 0.966,529 0.85,530 0.994,531 0.927,532 0.784,533 0.908,534 0.961,535 0.939,536 0.482,537 0.995,538 0.682,539 1.199,540 0.904,541 1.275,542 0.603,543 1.178,544 6,545 0.144,546 2.667,547 1.222,548 1.454,549 0.642,550 0.357,551 0.395,552 0.212,553 0.195,554 9688,555 34606,556 2.035,557 37.2,559 13,560 1,561 1,562 1,567 1.696,568 1.906,569 3.658,570 -0.236,571 1,572 1,575 74.661,576 1.736,577 3.686,578 4.432,579 4.851,580 4.944,581 5.037,582 3.134,583 4.431,584 4.723,585 3.821,586 1341.01,587 8.174,588 18204.5,590 1,592 1,593 233.329,594 1.399,595 4.685,596 0.207,597 0.008,598 0.068,599 0.033,600 0.045,601 0.021,602 0.012,603 0.014,604 0.008,605 0.009,606 0.426,607 0.33,608 1,609 0.862,610 137.274,611 0.137,612 0.122,613 0.064,614 -0.022,615 -0.027,616 -0.02,617 -0.024,618 -0.032,619 0.001,620 0.016,621 0.135,622 0.013,623 -0.098,624 -0.114,625 -0.149,626 -0.232,627 -0.019,628 -0.213,629 -0.026,630 -0.005,631 -0.111,632 -0.058,633 -0.069,634 -0.115,635 0.152,636 -0.044,637 0.188,638 0.02,639 0.076,640 0.095,641 0.032,642 0.141,643 0.014,644 0.15,645 -0.08,646 0.093,647 0.098,648 0.071,649 -0.025,650 0.081,651 0.277,652 0.01,653 0.039,654 -0.206,655 0.02,656 -0.257,657 0.085,658 -0.148,659 2.59,660 5.294,661 0.63,662 28.922,663 1.031,664 1.129,665 2.625,666 6.892,667 0.671,668 3.401,669 3.689,670 3.892,671 4.06,672 4.22,673 4.205,674 4.234,675 4.277,676 4.369,677 4.431,678 7.452,679 0.67,680 368.38,681 3.401,682 4.92,683 5.74,684 6.586,685 7.421,686 8.268,687 9.108,688 9.955,689 10.798,690 11.645,691 9.3,698 1,699 1,701 1,702 1,709 10,710 1,714 5,715 1,716 17,731 1,735 2,738 43,739 20,740 2,741 29,743 45,744 18,745 15,746 4,747 8,748 1,752 3,753 3,768 16,769 2,772 3,775 1,778 3,782 1,785 1,786 1,789 16,790 7,791 1,792 9,797 4,803 1,804 5,814 1,822 1,823 2,855 3,859 1,862 27,869 1,871 1,872 2,886 11.6,889 1,891 2,892 2,893 14.167,894 8.017,895 6.056,896 2.243,898 3.156,899 1.443,900 0.953,901 5.934,902 10.277,903 3.726,904 4.307,905 4.807,906 5.296,907 5.712,908 5.799,909 5.961,910 6.172,911 6.57,912 6.936,913 0.889,914 37,915 9.903,917 4.154,918 8.13,919 18.069,921 13.981,924 2.63,925 71,928 1,929 176.567,930 133.7,931 41.875,933 97.892,936 133.7,937 274.458,938 41.875,939 16.553,940 22.481,941 84.857,942 58.284,943 52.316,944 11.771,945 153.024,946 50.747,947 176.567,948 175.575,949 97.892,952 176.567,953 47.145,954 50.747,956 33.182,957 120.06,958 22.333,960 176.567,961 139.767,962 133.7,965 176.567,966 28.912,967 112.112,968 17.888,969 114.555,970 176.567,971 139.767,972 133.7,973 0.576,974 0.329,975 0.162,976 0.087,977 17,978 8,979 0.156,980 7,982 1,983 4.001,984 212.829,986 17,987 122.382,993 18.731,994 8.554,995 4.984,997 132.443,998 16.214,999 3.724,1003 2.375,1004 1.001,1005 17.888,1006 450.033,1007 40.5,1010 -0.59,1013 33.61,1017 -0.445,1020 44.345,1021 48.531,1022 0.32,1023 0.679,1024 0.817,1025 0.894,1026 0.911,1027 0.928,1028 4.929,1029 1.157,1030 5.707,1031 3.482,1032 4.369,1033 4.994,1034 2.904,1035 6.444,1036 4.303,1037 6.132,1038 1,1039 7.226,1040 2.668,1041 3.892,1042 4.771,1043 2.361,1044 7.186,1045 3.813,1046 7.427,1047 0.935,1048 8.837,1049 2.314,1050 5.905,1051 7.157,1052 4.251,1053 10.189,1054 5.781,1055 8.755,1056 0.777,1057 10.498,1058 2.275,1059 6.217,1060 7.723,1061 4.506,1062 11.7,1063 6.078,1064 10.11,1065 0.658,1066 12.191,1067 1.698,1068 7.684,1069 9.568,1070 5.967,1071 14.192,1072 7.514,1073 11.482,1074 0.426,1075 13.904,1076 1.604,1077 8.353,1078 10.495,1079 6.556,1080 16.033,1081 8.169,1082 12.868,1083 -0.341,1084 15.632,1085 0.69,1086 9.589,1087 12.106,1088 7.798,1089 18.332,1090 9.381,1091 2.922,1092 -0.38,1093 17.37,1094 -0.719,1095 10.438,1096 13.223,1097 8.548,1098 20.334,1099 10.217,1100 2.79,1101 8.942,1102 19.117,1103 -1.013,1104 11.568,1105 14.719,1106 9.67,1107 22.555,1108 11.329,1109 2.652,1110 8.466,1111 20.87,1112 4.022,1113 12.51,1114 15.94,1115 10.509,1116 24.638,1117 12.259,1118 2.383,1119 7.374,1120 22.628,1121 3.802,1122 13.592,1123 17.377,1124 11.563,1125 26.827,1126 13.326,1127 2.18,1128 6.859,1129 24.392,1130 3.633,1131 14.583,1132 18.659,1133 12.452,1134 28.952,1135 14.306,1136 2.067,1137 6.298,1138 26.159,1139 3.171,1140 15.644,1141 20.064,1142 13.468,1143 31.129,1144 15.354,1145 1.416,1146 6.064,1147 27.93,1148 2.908,1149 16.662,1150 21.382,1151 14.386,1152 33.276,1153 16.362,1154 9455,1155 18090,1156 19.186,1157 28.864,1158 43.005,1159 44.924,1160 43.843,1161 42.613,1162 42.724,1163 58.602,1164 11.206,1165 117.469,1166 41.245,1167 5.178,1168 5.782,1169 5.665,1170 4.966,1171 4.922,1172 7.022,1173 4.612,1174 15.259,1175 4.892,1176 14.007,1177 1.483,1178 1.549,1179 1.512,1180 1.469,1181 1.473,1182 2.021,1183 0.386,1184 4.051,1185 1.422,1186 4.024,1187 4.072,1188 3.993,1189 3.897,1190 7.815,1191 3.902,1192 3.935,1193 3.961,1194 3.888,1195 3.797,1196 7.429,1197 3.799,1198 3.868,1199 3.888,1200 3.813,1201 3.709,1202 6.999,1203 3.754,1204 3.487,1205 3.53,1206 3.465,1207 3.158,1208 4.946,1209 3.199,1210 3.317,1211 3.352,1212 3.237,1213 2.994,1214 4.916,1215 3.033,1216 3.218,1217 3.265,1218 3.11,1219 2.908,1220 4.714,1221 2.932,1222 3.095,1223 3.147,1224 2.927,1225 2.771,1226 4.521,1227 2.871,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 4.093,1233 2.715,1234 0.149,1235 0.13,1236 0.211,1237 0.135,1238 0.101,1239 4.324,1240 0.139,1241 3.782,1242 0.09,1243 6.107,1244 0.308,1245 3.909,1246 0.1,1247 2.922,1248 4.022,1249 2.612,1250 8.942,1251 2.892,1252 1.931,1253 1.911,1254 2.035,1255 2.035,1256 1.161,1257 2.032,1258 1.855,1259 1.836,1260 1.963,1261 1.969,1262 1.037,1263 1.96,1264 1.6,1265 1.566,1266 1.674,1267 1.949,1268 0.709,1269 1.852,1270 1.377,1271 1.314,1272 1.571,1273 1.752,1274 0.626,1275 1.68,1276 1.221,1277 1.163,1278 1.492,1279 1.531,1280 0.569,1281 1.538,1282 1.142,1283 1.068,1284 1.404,1285 1.395,1286 0.358,1287 1.404,1288 0.993,1289 0.943,1290 1.181,1291 1.253,1292 0.218,1293 1.22,1294 0.886,1295 0.821,1296 1.175,1297 1.185,1298 0.194,1299 1.134,1300 4.078,1302 5.371,1303 2.398,1304 6.841,1305 4.595,1306 8.384,1307 6.581,1308 9.964,1310 1.591,1315 0.278,1317 2.455,1318 10.788,1326 28.82,1327 74.661,1328 158.5,1329 190.574,1330 208.574,1331 212.574,1332 216.574,1333 53.404,1334 7.12,1335 111.2,1336 111.2,1337 17,1338 12.206,1339 4.392,1340 3.644,1341 47.271,1342 120,1343 128,1344 0.189,1345 179.137,1346 311.73,1347 428.854,1348 12477,1350 19.225,1351 0.712,1352 0.532,1353 19.225,1354 14.363,1355 13.046,1356 0.45,1357 0.273,1358 7.725,1359 12.22,1360 7.575,1361 6.32,1362 13.046,1363 7.912,1364 11.561,1365 0.296,1366 0.141,1367 11.561,1368 5.506,1369 9.385,1370 0.196,1371 0.076,1372 9.385,1373 3.65,1374 7.163,1375 0.126,1376 0.04,1377 7.163,1378 2.278,1379 5.513,1380 0.082,1381 0.021,1382 5.513,1383 1.408,1384 0.305,1385 84.251,1386 0.228,1387 26.587,1388 0.491,1389 136,1390 533.946,1391 156.724,1392 499.575,1393 659.73,1394 462,1395 155,1396 479.802,1397 176.118,1398 474.841,1399 677.6,1400 441,1401 5.308}
{0 CHEMBL1607801,1 1.745,2 9.48,3 1.821,4 3.314,5 87.803,6 9.457,7 0.429,8 3.8,9 3.847,10 3.721,11 3.405,12 4.969,13 3.402,14 4.362,15 4.448,16 4.071,17 3.801,18 5.775,19 3.799,20 4.582,21 4.684,22 4.171,23 3.907,24 5.952,25 3.901,26 4.588,27 4.697,28 4.023,29 3.779,30 6.188,31 3.779,32 4.443,33 4.585,34 3.827,35 3.598,36 6.12,37 3.588,38 4.26,39 4.416,40 3.662,41 3.505,42 5.64,43 3.464,44 4.204,45 4.324,46 3.641,47 3.406,48 5.653,49 3.415,50 4.068,51 4.181,52 3.557,53 3.286,54 5.557,55 3.289,56 0.174,57 0.53,58 6.687,59 3.918,60 27.668,61 3.368,62 0.595,63 0.886,64 11.476,65 6.425,66 64.482,67 5.722,68 0.762,69 1.062,70 20.531,71 8.929,72 82.803,73 7.742,74 0.941,75 1.041,76 19.581,77 8.256,78 157.866,79 6.637,80 0.935,81 0.896,82 17.806,83 7.048,84 160.808,85 6.722,86 0.593,87 0.766,88 16.692,89 6.585,90 64.609,91 6.684,92 0.628,93 0.686,94 14.546,95 5.706,96 93.735,97 4.673,98 0.664,99 0.601,100 11.174,101 4.707,102 82.433,103 4.123,104 17,105 42,106 0.308,107 0.615,108 0.732,109 0.832,110 0.86,111 0.869,112 3.268,113 0.966,114 -2.12,115 -2.17,116 -2.15,120 44.7,126 3,143 7,144 2,145 3,158 1,159 1,174 7,176 4,177 5,185 6,188 2,189 14,197 3,200 2,201 13,213 4,214 8,222 1,226 2,227 8,235 4,239 1,240 5,247 7,251 3,252 1,260 6,263 3,264 3,271 2,274 806,275 16.687,276 16.687,277 16.687,278 16.687,279 16.687,280 14.812,281 16.959,282 9.553,283 17.087,284 13.79,285 13.79,286 13.79,287 13.79,288 13.79,289 10.683,290 17.171,291 4.495,292 14.435,293 3.503,294 1.758,295 1.096,296 0.526,297 0.368,298 0.316,299 3.961,305 1,306 1,307 1,308 524,309 3.24,312 49.2,313 186.69,316 96.648,317 102.75,320 1.382,321 51.382,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 56.5,333 237,334 5.039,335 4.784,336 7.831,337 4.593,338 3.657,339 4.856,340 1.399,341 14.446,342 3.408,343 4.333,344 3.645,345 6.257,346 3.946,347 2.973,348 3.975,349 1.033,350 9.432,351 2.911,352 3.954,353 3.477,354 6.101,355 3.575,356 2.596,357 3.499,358 0.86,359 8.45,360 2.512,361 3.901,362 3.219,363 5.993,364 3.47,365 2.469,366 3.244,367 0.86,368 8.285,369 2.451,370 3.49,371 2.39,372 5.803,373 3.111,374 2.144,375 2.744,377 7.228,378 2.056,379 2.927,380 2.198,381 4.452,382 2.534,383 1.618,384 2.065,386 4.428,387 1.5,388 2.909,389 2.055,390 4.228,391 2.514,392 1.544,393 2.01,395 3.799,396 1.465,397 2.75,398 1.755,399 3.871,400 2.336,401 1.38,402 1.812,404 3.026,405 1.309,406 2.566,407 1.68,408 3.746,409 2.204,410 1.21,411 1.552,413 2.857,414 1.189,415 2.449,416 1.324,417 3.602,418 2.035,419 1.03,420 1.434,422 2.632,423 1.032,424 1.962,425 1.113,426 3.366,427 1.575,428 0.664,429 0.79,431 1.563,432 0.596,433 1.853,434 0.995,435 3.154,436 1.411,437 0.381,438 0.529,440 0.982,441 0.387,442 1,443 0.469,444 2.854,445 0.491,446 -0.456,447 -0.546,449 -1.109,450 -0.422,451 0.923,452 0.109,453 2.632,454 0.437,455 -0.557,456 -0.729,458 -1.383,459 -0.535,460 0.869,461 -0.014,462 2.291,463 0.31,464 -0.618,465 -0.775,467 -1.599,468 -0.565,469 11.733,470 0.469,471 0.777,472 0.031,473 35.5,474 1.42,475 19,476 0.76,477 16.5,478 0.66,479 16.787,480 0.671,481 26.667,482 0.702,483 28.113,484 1.125,485 7,486 0.28,487 4.981,488 0.199,489 0.114,490 0.071,491 0.332,496 0.596,497 1.286,498 0.721,499 1.245,500 0.592,501 0.884,502 0.833,503 0.944,504 0.779,505 0.84,506 0.615,507 0.82,508 1.045,509 1.106,510 1.077,511 1.143,512 0.972,513 0.961,514 1.299,515 1.178,516 1.192,517 1.133,518 1.412,519 1.141,520 0.984,521 0.927,522 0.948,523 0.881,524 1.1,525 0.962,526 0.857,527 0.939,528 0.996,529 0.992,530 0.901,531 0.938,532 1.416,533 0.909,534 1.064,535 0.929,536 1.632,537 0.912,538 1.033,539 0.887,540 0.897,541 0.869,542 1.204,543 0.954,544 5.5,545 0.074,546 4.222,547 3.146,548 1.601,549 1.053,550 0.505,551 0.387,552 0.292,553 0.179,554 7043,555 23939,556 2.095,557 34.2,559 13,567 1.681,568 1.935,569 3.205,570 -0.672,571 1,572 1,574 1,575 66.319,576 1.745,577 3.49,578 4.152,579 4.722,580 4.88,581 4.932,582 2.647,583 4.484,584 4.62,585 3.358,586 1007.41,587 7.991,588 11810.1,589 1,590 1,592 1,593 199.421,594 1.643,595 4.557,596 0.196,597 0.006,598 0.101,599 0.07,600 0.043,601 0.034,602 0.019,603 0.015,604 0.013,605 0.009,606 0.505,607 0.5,608 1,609 0.609,610 118.905,611 0.029,612 -0.211,613 0.205,614 -0.15,615 -0.086,616 -0.007,617 0.035,618 0.113,619 0.058,620 0.108,621 0.077,622 0.044,623 -0.075,624 -0.107,625 -0.034,626 -0.087,627 -0.075,628 -0.017,629 -0.177,630 -0.191,631 -0.221,632 -0.168,633 -0.07,634 -0.236,635 0.091,636 0.049,637 0.001,638 0.037,639 0.191,640 -0.001,641 0.036,642 0.032,643 0.061,644 0.027,645 0.032,646 0.102,647 -0.267,648 0.042,649 -0.089,650 0.033,651 -0.287,652 0.028,653 0.092,654 0.078,655 -0.002,656 0.042,657 -0.095,658 -0.042,659 4.926,660 5.516,661 0.76,662 17.61,663 1.038,664 1.11,665 0.891,666 0.794,667 0.709,668 3.367,669 3.761,670 4.094,671 4.382,672 4.615,673 4.605,674 4.7,675 4.787,676 4.852,677 4.82,678 5.663,679 0.702,680 359.38,681 3.367,682 4.949,683 5.838,684 6.756,685 7.664,686 8.587,687 9.502,688 10.427,689 11.347,690 12.274,691 2.6,698 1,709 7,714 5,716 12,721 1,735 2,738 38,739 16,740 2,741 28,743 41,744 17,745 12,746 5,747 7,748 2,752 4,753 6,768 14,769 3,772 4,776 1,778 4,782 2,785 1,786 1,789 13,790 7,792 8,793 1,797 1,803 0.5,804 6,822 1,823 3,826 1,827 1,855 2,857 1,862 25,866 1,869 3,872 2,875 1,886 15.8,889 4,891 2,893 12.917,894 6.95,895 5.306,896 2.183,898 2.48,899 1.33,900 1.016,901 3.783,902 9.986,903 3.664,904 4.304,905 4.868,906 5.408,907 5.914,908 6.033,909 6.318,910 6.453,911 6.731,912 6.756,913 1,914 45,915 9.682,917 4.763,918 8.223,919 17.154,921 14.734,924 2.723,925 68.083,929 153.024,930 111.679,931 1.519,933 116.603,935 5.807,936 105.871,937 269.627,938 1.519,940 12.809,941 72.141,942 104.441,943 40.409,945 153.024,947 153.024,948 107.39,949 116.603,950 5.807,952 153.024,953 116.603,956 12.809,957 94.581,958 5.807,960 153.024,961 118.121,962 111.679,964 5.807,965 153.024,966 39.537,967 67.852,969 116.603,970 153.024,971 118.121,972 111.679,973 0.6,974 0.369,975 0.202,976 0.111,977 23,978 10,979 0.073,980 3,981 2,982 1.211,983 3.614,984 220.035,985 0.211,986 19,987 114.096,992 1,993 16.124,994 5.865,995 2.601,997 118.121,998 10.527,1003 1.215,1006 382.824,1007 38,1011 -4.009,1013 49.882,1017 -1.191,1020 39.444,1021 42.166,1022 0.333,1023 0.665,1024 0.791,1025 0.9,1026 0.93,1027 0.94,1028 4.942,1029 1.38,1030 5.883,1031 3.799,1032 4.443,1033 4.99,1034 2.303,1035 6.815,1036 4.361,1037 6.195,1038 1.21,1039 7.529,1040 3.026,1041 4.29,1042 5.139,1044 8.141,1045 4.158,1046 7.568,1047 1.03,1048 9.294,1049 2.857,1050 6.192,1051 7.32,1052 2.574,1053 11.28,1054 6.013,1055 8.987,1056 0.664,1057 11.134,1058 2.632,1059 6.878,1060 8.294,1062 13.471,1063 6.625,1064 10.446,1065 0.381,1066 13.022,1067 1.563,1068 8.327,1069 10.039,1070 2.997,1071 16.245,1072 8.023,1073 11.935,1074 -0.456,1075 14.946,1076 0.982,1077 9.368,1078 11.352,1080 18.753,1081 8.978,1082 13.448,1083 -0.557,1084 16.896,1085 -1.109,1086 10.68,1087 12.964,1088 3.529,1089 21.444,1090 10.228,1091 3.657,1092 -0.618,1093 18.867,1094 -1.383,1095 11.866,1096 14.42,1098 24.06,1099 11.327,1100 2.973,1101 14.446,1102 20.855,1103 -1.599,1104 13.145,1105 15.995,1106 4.126,1107 26.733,1108 12.537,1109 2.596,1110 9.432,1111 22.856,1112 4.856,1113 14.39,1114 17.514,1116 29.386,1117 13.698,1118 2.469,1119 8.45,1120 24.869,1121 3.975,1122 15.667,1123 19.081,1124 4.759,1125 32.056,1126 14.9,1127 2.144,1128 8.285,1129 26.891,1130 3.499,1131 16.937,1132 20.629,1134 34.72,1135 16.089,1136 1.618,1137 7.228,1138 28.92,1139 3.244,1140 18.219,1141 22.197,1142 5.411,1143 37.39,1144 17.295,1145 1.544,1146 4.428,1147 30.955,1148 2.744,1149 19.501,1150 23.76,1152 40.058,1153 18.499,1154 6630,1155 12385,1156 18.493,1157 26.949,1158 43.696,1159 46.442,1160 44.809,1161 43.381,1162 43.337,1163 57.022,1164 8.304,1165 134.257,1166 41.633,1167 5.983,1168 6.784,1169 7.518,1170 5.733,1171 5.657,1172 7.856,1173 2.797,1174 22.791,1175 5.408,1176 11.863,1177 1.561,1178 1.659,1179 1.6,1180 1.549,1181 1.548,1182 2.036,1183 0.297,1184 4.795,1185 1.487,1186 4.156,1187 4.134,1188 4.764,1189 4.131,1190 7.717,1191 4.056,1192 3.955,1193 3.961,1194 3.921,1195 3.864,1196 7.43,1197 3.871,1198 3.618,1199 3.638,1200 3.684,1201 3.522,1202 7.422,1203 3.475,1204 3.501,1205 3.514,1206 3.467,1207 3.314,1208 6.999,1209 3.318,1210 3.281,1211 3.292,1212 3.225,1213 3.113,1214 4.938,1215 3.102,1216 3.116,1217 3.107,1218 3.065,1219 2.931,1220 4.673,1221 2.95,1222 2.885,1223 2.927,1224 2.768,1225 2.719,1226 4.292,1227 2.717,1228 2.703,1229 2.744,1230 2.575,1231 2.531,1232 4.208,1233 2.52,1234 0.18,1235 0.171,1236 0.28,1237 0.164,1238 0.131,1239 5.039,1240 0.173,1241 4.784,1242 0.05,1243 7.831,1244 0.516,1245 4.593,1246 0.122,1247 3.657,1248 4.856,1249 1.399,1250 14.446,1251 3.408,1252 1.925,1253 1.931,1254 2,1255 2.038,1256 1.161,1257 2.03,1258 1.91,1259 1.899,1260 1.973,1261 1.972,1262 1.128,1263 2,1264 1.614,1265 1.625,1266 1.715,1267 1.822,1268 0.968,1269 1.819,1270 1.426,1271 1.399,1272 1.574,1273 1.637,1274 0.852,1275 1.653,1276 1.191,1277 1.18,1278 1.203,1279 1.37,1280 0.463,1281 1.394,1282 1.04,1283 1.027,1284 1.123,1285 1.244,1286 0.237,1287 1.215,1288 0.856,1289 0.807,1290 1.08,1291 1.077,1292 0.187,1293 1.086,1294 0.754,1295 0.701,1296 0.908,1297 0.957,1298 0.055,1299 0.984,1300 4.043,1302 5.416,1303 2.398,1304 6.999,1305 5.043,1306 8.671,1307 7.368,1308 10.391,1315 0.244,1318 10.808,1321 0.608,1326 26.658,1327 66.319,1328 132.609,1329 157.77,1330 179.421,1331 185.421,1332 187.421,1333 61.855,1334 7.507,1335 89.98,1336 98.36,1337 23,1338 12.779,1339 4.087,1340 3.459,1341 35.93,1342 86,1343 81,1344 0.209,1345 162.75,1346 292.55,1347 388.87,1348 18592,1350 17.604,1351 0.704,1352 0.551,1353 17.854,1354 13.784,1355 11.981,1356 0.428,1357 0.322,1358 7.552,1359 10.643,1360 7.33,1361 5.963,1362 12.77,1363 9.013,1364 11.433,1365 0.272,1366 0.177,1367 12.714,1368 7.425,1369 10.051,1370 0.17,1371 0.099,1372 11.377,1373 5.85,1374 8.501,1375 0.108,1376 0.055,1377 9.915,1378 4.351,1379 7.078,1380 0.071,1381 0.03,1382 8.298,1383 3.002,1384 0.322,1385 84.26,1386 0.233,1387 23.917,1388 0.589,1389 140,1390 520.919,1391 198.347,1392 502.952,1393 671.99,1394 464,1395 171,1396 454.92,1397 241.807,1398 489.297,1399 728.66,1400 460,1401 6.379}
{0 CHEMBL1607877,1 1.536,2 10.682,3 3.695,4 13.652,5 84.878,6 7.825,7 0.522,8 3.705,9 3.812,10 3.294,11 3.311,12 4.935,13 3.286,14 4.171,15 4.318,16 3.602,17 3.632,18 5.437,19 3.588,20 4.432,21 4.628,22 3.614,23 3.691,24 5.715,25 3.637,26 4.371,27 4.574,28 3.448,29 3.575,30 5.627,31 3.509,32 4.243,33 4.442,34 3.426,35 3.509,36 5.512,37 3.444,38 4.223,39 4.416,40 3.351,41 3.471,42 5.499,43 3.404,44 4.171,45 4.374,46 3.275,47 3.41,48 5.51,49 3.328,50 4.083,51 4.297,52 3.152,53 3.296,54 5.439,55 3.198,56 0.033,57 0.547,58 6.601,59 3.564,60 7.254,61 4.263,62 0.106,63 0.851,64 11.821,65 5.774,66 17.216,67 7.15,68 0.281,69 1.067,70 18.121,71 7.101,72 51.334,73 8.57,74 0.317,75 0.946,76 17.63,77 6.611,78 61.385,79 7.958,80 0.218,81 0.793,82 14.958,83 6.117,84 36.799,85 7.78,86 0.229,87 0.793,88 14.821,89 5.978,90 47.642,91 7.238,92 0.286,93 0.757,94 14.238,95 5.738,96 65.678,97 7.199,98 0.285,99 0.702,100 13.166,101 5.285,102 60.727,103 6.819,104 20,105 30,106 0.275,107 0.587,108 0.753,109 0.857,110 0.87,111 0.87,112 3.145,113 0.908,114 -4.99,115 -4.89,116 -4.58,120 47.4,121 1,122 1,136 2,143 8,144 2,145 2,158 1,159 1,174 11,177 3,180 1,182 3,185 12,189 4,194 3,197 11,201 4,206 1,209 8,214 5,217 1,219 1,222 10,227 3,232 1,235 11,239 1,240 2,245 1,247 9,252 2,257 2,260 6,264 1,269 2,271 4,274 684,275 14.662,276 14.662,277 14.662,278 14.662,279 14.662,280 12.811,281 10.971,282 8.794,283 14.724,284 11.271,285 11.271,286 11.271,287 11.271,288 11.271,289 8.375,290 11.562,291 4.136,292 11.367,293 3.712,294 1.969,295 1.04,296 0.461,297 0.388,298 0.388,299 3.806,305 1,306 1,307 1,308 481,309 3.464,313 162.408,320 1.711,321 28.983,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48,333 235,334 4.242,335 3.588,336 6.069,337 3.876,338 2.866,339 3.832,340 1.907,341 8.791,342 2.897,343 4.032,344 3.488,345 5.441,346 3.601,347 2.618,348 3.645,349 0.149,350 7.219,351 2.573,352 3.795,353 2.915,354 5.393,355 3.472,356 2.474,357 3.107,359 7.052,360 2.455,361 3.51,362 2.562,363 4.891,364 3.092,365 2.115,366 2.795,368 5.699,369 2.081,370 3.391,371 2.354,372 4.758,373 2.997,374 2,375 2.628,377 5.244,378 1.944,379 2.898,380 1.805,381 4.107,382 2.423,383 1.414,384 2.001,386 3.61,387 1.42,388 2.626,389 1.184,390 3.48,391 2.116,392 1.114,393 1.649,395 2.535,396 1.115,397 2.5,398 1.01,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.257,407 1,408 3.034,409 1.547,410 0.524,411 0.827,413 1.19,414 0.529,415 1.507,416 0.994,417 2.816,418 1.382,419 0.382,420 0.409,422 0.557,423 0.379,424 1.177,425 0.383,426 2.315,427 0.765,428 -0.211,429 -0.278,431 -0.45,432 -0.192,433 1.165,434 0.371,435 2,436 0.732,437 -0.254,438 -0.333,440 -0.572,441 -0.255,442 0.731,443 -0.334,444 2,445 0.266,446 -0.761,447 -1.032,449 -1.911,450 -0.77,451 0.5,452 -0.571,453 1.785,454 0.017,455 -1,456 -1.282,458 -2.515,459 -0.952,460 0.479,461 -0.744,462 1.591,464 -1,465 -1.405,467 -2.595,468 -1,469 10.352,470 0.471,471 0.506,472 0.023,473 29.75,474 1.352,475 17,476 0.773,477 12.75,478 0.58,479 13.816,480 0.628,481 23.248,482 0.612,483 21.696,484 0.986,485 6.178,486 0.281,487 4.401,488 0.2,489 0.14,491 0.29,494 1,496 0.544,497 0.941,498 0.726,499 0.966,500 0.532,501 0.904,502 0.553,503 1.079,504 0.795,505 1.12,506 0.563,507 1.044,508 1.12,509 0.999,510 1.039,511 0.975,512 1.054,513 0.977,514 1.223,515 0.877,516 1.135,517 0.945,518 1.231,519 0.996,520 0.755,521 0.794,522 0.853,523 0.973,524 0.835,525 0.949,526 1.077,527 0.869,528 1.037,529 1.001,530 1.143,531 1.012,532 0.827,533 0.868,534 0.983,535 0.998,536 0.871,537 1.024,538 0.657,539 0.96,540 0.951,541 1.066,542 0.687,543 1.083,544 5,545 0.095,546 2.222,547 1,548 0.924,549 0.639,550 0.405,551 0.243,552 0.131,553 0.112,554 5027,555 16438,556 1.969,557 42.1,558 3,559 10,562 1,563 2,567 1.641,568 1.833,569 3.406,570 -0.354,572 1,574 1,575 58.363,576 1.536,577 3.279,578 4.208,579 4.787,580 4.86,581 4.86,582 2.924,583 4.187,584 4.429,585 3.534,586 816.459,587 7.59,588 9358.13,589 1,590 1,591 1,592 1,593 199.421,594 1.435,595 4.382,596 0.217,597 0.009,598 0.074,599 0.034,600 0.039,601 0.027,602 0.018,603 0.012,604 0.008,605 0.009,606 0.447,607 0.67,608 1,609 1.258,610 103.369,611 -0.024,612 0.008,613 0.009,614 0.026,615 -0.048,616 0.027,617 0.078,618 -0.149,619 0.023,620 -0.136,621 0.046,622 -0.09,623 -0.134,624 -0.015,625 -0.084,626 -0.018,627 -0.087,628 -0.03,629 -0.182,630 0.037,631 -0.156,632 0.003,633 -0.169,634 -0.049,635 0.034,636 -0.023,637 0.082,638 -0.008,639 0.013,640 0.034,641 -0.12,642 -0.023,643 -0.083,644 -0.031,645 -0.112,646 -0.044,647 0.061,648 -0.017,649 -0.026,650 -0.024,651 0.067,652 -0.04,653 0.174,654 -0.1,655 0.012,656 -0.09,657 0.169,658 -0.086,659 1.983,660 5.119,661 0.545,662 19.372,663 1.009,664 1.12,665 3.758,666 14.122,667 0.683,668 3.178,669 3.434,670 3.584,671 3.714,672 3.912,673 3.807,674 3.807,675 3.807,676 3.761,677 3.714,678 6.212,679 0.659,680 297.35,681 3.178,682 4.673,683 5.468,684 6.297,685 7.111,686 7.942,687 8.762,688 9.595,689 10.418,690 11.252,691 2.6,698 1,709 8,714 4,716 12,721 1,737 1,738 38,739 15,740 2,741 23,743 39,744 18,745 12,746 4,747 8,748 3,752 2,753 2,759 1,766 1,768 16,769 2,772 3,778 2,780 2,782 2,785 1,786 1,787 1,789 16,790 4,791 1,792 4,797 1,803 1,804 2,823 2,838 1,845 2,855 2,859 1,861 1,862 22,869 1,871 1,885 1,886 5.3,889 2,893 12,894 7.06,895 5.028,896 2.32,898 2.806,899 1.442,900 0.959,901 5.347,902 9.158,903 3.497,904 4.025,905 4.516,906 4.984,907 5.511,908 5.579,909 5.838,910 6.085,911 6.299,912 6.55,913 1,914 29,915 8.128,917 3.377,918 8.136,919 14.984,921 11.626,924 2.636,925 58,929 176.567,930 134.209,931 18.011,933 50.29,934 14.96,936 134.209,937 226.856,938 32.971,939 8.825,940 20.545,941 94.762,942 60.128,943 18.249,944 14.96,945 176.567,947 176.567,948 152.22,949 65.25,952 191.527,953 50.29,956 29.37,957 103.897,958 18.952,960 191.527,961 68.301,962 134.209,965 176.567,966 30.622,967 103.588,968 18.011,969 65.25,970 176.567,971 83.261,972 134.209,973 0.568,974 0.316,975 0.149,976 0.087,977 12,978 6,979 0.128,980 5,982 1,983 3.476,984 154.162,986 12,987 94.107,993 15.811,994 7.441,995 4.745,997 83.261,998 12.617,1003 1.494,1005 18.011,1006 394.037,1007 32,1013 23.479,1015 3.049,1017 -0.289,1020 38.338,1021 42.578,1022 0.293,1023 0.625,1024 0.802,1025 0.912,1026 0.926,1027 0.926,1028 4.682,1029 1,1030 5.425,1031 2.535,1032 4.111,1033 4.71,1034 1.953,1035 6.125,1036 4.097,1037 5.874,1038 0.524,1039 6.923,1040 2.275,1041 3.611,1042 4.369,1043 1.593,1044 6.804,1045 3.591,1046 7.15,1047 0.382,1048 8.511,1049 1.19,1050 5.609,1051 6.813,1052 2.904,1053 9.79,1054 5.586,1055 8.457,1056 -0.211,1057 10.148,1058 0.557,1059 5.861,1060 7.21,1061 3.032,1062 11.235,1063 5.843,1064 9.788,1065 -0.254,1066 11.817,1067 -0.45,1068 7.338,1069 9.145,1070 4.037,1071 13.729,1072 7.315,1073 11.136,1074 -0.761,1075 13.508,1076 -0.572,1077 7.948,1078 9.908,1079 4.409,1080 15.524,1081 7.939,1082 12.498,1083 -1,1084 15.214,1085 -1.911,1086 9.191,1087 11.599,1088 5.25,1089 17.823,1090 9.179,1091 2.866,1092 -1,1093 16.932,1094 -2.515,1095 9.991,1096 12.573,1097 5.75,1098 19.797,1099 9.996,1100 2.618,1101 8.791,1102 18.66,1103 -2.595,1104 11.122,1105 14.125,1106 6.501,1107 22.013,1108 11.127,1109 2.474,1110 7.219,1111 20.397,1112 3.832,1113 12.026,1114 15.229,1115 7.068,1116 24.08,1117 12.049,1118 2.115,1119 7.052,1120 22.14,1121 3.645,1122 13.101,1123 16.697,1124 7.771,1125 26.262,1126 13.13,1127 2,1128 5.699,1129 23.891,1130 3.107,1131 14.063,1132 17.883,1133 8.374,1134 28.377,1135 14.108,1136 1.414,1137 5.244,1138 25.646,1139 2.795,1140 15.114,1141 19.299,1142 9.051,1143 30.547,1144 15.168,1145 1.114,1146 3.61,1147 27.407,1148 2.628,1149 16.108,1150 20.538,1151 9.674,1152 32.687,1153 16.178,1154 5106,1155 9329,1156 14.909,1157 25.943,1158 33.69,1159 35.18,1160 34.635,1161 33.099,1162 33.017,1163 44.784,1164 4.112,1165 88.344,1166 32.788,1167 5.041,1168 5.588,1169 5.625,1170 4.876,1171 4.866,1172 6.832,1173 3.306,1174 14.915,1175 4.897,1176 11.981,1177 1.465,1178 1.53,1179 1.506,1180 1.439,1181 1.436,1182 1.947,1183 0.179,1184 3.841,1185 1.426,1186 3.984,1187 4.008,1188 3.933,1189 3.914,1190 8.201,1191 3.914,1192 3.889,1193 3.917,1194 3.836,1195 3.821,1196 7.431,1197 3.82,1198 3.628,1199 3.674,1200 3.533,1201 3.446,1202 7.426,1203 3.455,1204 3.456,1205 3.487,1206 3.373,1207 3.336,1208 4.736,1209 3.338,1210 3.089,1211 3.169,1212 2.966,1213 2.885,1214 4.667,1215 2.895,1216 2.979,1217 3.012,1218 2.864,1219 2.814,1220 4.086,1221 2.815,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.034,1227 2.715,1228 2.75,1229 2.805,1230 2.601,1231 2.545,1232 3.825,1233 2.552,1234 0.184,1235 0.156,1236 0.264,1237 0.169,1238 0.125,1239 4.242,1240 0.167,1241 3.588,1242 0.083,1243 6.069,1244 0.382,1245 3.876,1246 0.126,1247 2.866,1248 3.832,1249 1.907,1250 8.791,1251 2.897,1252 1.945,1253 1.924,1254 2.042,1255 2.035,1256 1.128,1257 2.037,1258 1.881,1259 1.855,1260 1.987,1261 1.973,1262 1.074,1263 1.978,1264 1.587,1265 1.534,1266 1.848,1267 1.795,1268 1.003,1269 1.809,1270 1.429,1271 1.398,1272 1.584,1273 1.579,1274 0.606,1275 1.58,1276 1.035,1277 0.969,1278 1.284,1279 1.323,1280 0.292,1281 1.32,1282 0.934,1283 0.894,1284 1.181,1285 1.117,1286 0.218,1287 1.115,1288 0.886,1289 0.821,1290 1.139,1291 1.062,1292 0.204,1293 1.107,1294 0.716,1295 0.66,1296 1.038,1297 0.962,1298 0.142,1299 0.985,1300 3.85,1302 5.118,1304 6.569,1306 8.098,1308 9.665,1310 1.76,1312 12.803,1315 0.378,1317 2.71,1326 25.049,1327 58.363,1328 124.592,1329 159.911,1330 181.911,1331 184.666,1332 184.666,1333 51.869,1334 6.353,1335 46.17,1336 46.17,1337 12,1338 11.824,1339 4,1340 3.322,1341 42.425,1342 81,1343 80,1344 0.254,1345 158.284,1346 284.33,1347 377.973,1348 4344,1349 2.6,1350 15.949,1351 0.725,1352 0.553,1353 15.079,1354 12.175,1355 10.58,1356 0.46,1357 0.303,1358 6.891,1359 10.258,1360 6.714,1361 5.623,1362 10.186,1363 6.961,1364 9.222,1365 0.307,1366 0.158,1367 8.601,1368 4.732,1369 7.226,1370 0.206,1371 0.087,1372 6.816,1373 3.049,1374 5.151,1375 0.129,1376 0.046,1377 5.009,1378 1.842,1379 4.271,1380 0.087,1381 0.025,1382 3.987,1383 1.232,1384 0.405,1385 65.907,1386 0.259,1387 22.16,1388 0.675,1389 106,1390 391.915,1391 116.203,1392 355.267,1393 461.56,1394 328,1395 118,1396 317.86,1397 126.396,1398 317.732,1399 453.81,1400 299,1401 4.934}
{0 CHEMBL1608382,1 1.7,2 12.963,3 3.589,4 12.879,5 114.028,6 8.643,7 0.414,8 3.913,9 4.017,10 3.649,11 3.564,12 5.062,13 3.504,14 4.413,15 4.565,16 4.089,17 3.942,18 5.545,19 3.846,20 4.637,21 4.823,22 4.035,23 4.024,24 5.763,25 3.905,26 4.671,27 4.887,28 3.928,29 3.959,30 5.794,31 3.804,32 4.525,33 4.705,34 3.884,35 3.886,36 5.725,37 3.737,38 4.449,39 4.616,40 3.852,41 3.831,42 5.66,43 3.697,44 4.401,45 4.578,46 3.911,47 3.732,48 5.768,49 3.61,50 4.314,51 4.522,52 3.56,53 3.68,54 5.341,55 3.505,56 0.022,57 0.642,58 7.689,59 4.137,60 6.838,61 4.938,62 0.206,63 1.083,64 19.302,65 7.47,66 19.783,67 8.616,68 0.248,69 1.278,70 23.735,71 9.696,72 38.435,73 11.175,74 0.321,75 1.308,76 30.668,77 11.065,78 63.209,79 12.202,80 0.376,81 1.144,82 28.312,83 10.117,84 57.422,85 10.454,86 0.23,87 1.07,88 24.79,89 9.03,90 42.984,91 9.088,92 0.389,93 1.027,94 22.908,95 7.932,96 74.509,97 8.534,98 0.182,99 0.956,100 24.066,101 8.538,102 27.914,103 9.34,104 17,105 39,106 0.29,107 0.659,108 0.823,109 0.873,110 0.873,111 0.873,112 3.339,113 1.011,114 -3.68,115 -3.64,116 -3.47,120 43.5,121 1,122 2,126 1,136 1,139 1,143 6,144 2,145 1,146 2,159 2,160 1,174 10,176 1,177 4,180 1,182 2,185 11,189 6,192 1,194 2,197 8,201 4,209 6,213 2,214 7,217 1,222 7,227 5,235 4,239 1,240 4,243 1,245 1,247 4,251 1,252 4,257 1,260 4,264 2,269 1,271 4,274 1249,275 18.068,276 18.068,277 18.068,278 18.068,279 18.068,280 15.982,281 18.239,282 10.858,283 18.52,284 14.311,285 14.311,286 14.311,287 14.311,288 14.311,289 11.109,290 20.347,291 5.208,292 15.055,293 3.824,294 1.665,295 0.701,296 0.408,297 0.408,298 0.408,299 4.02,306 1,307 1,308 743,309 3.391,312 85.855,313 207.66,320 2.115,321 27.049,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 57.5,333 350,334 4.402,335 4.908,336 6.647,337 4.061,338 3.147,339 3.81,340 4.506,341 10.556,342 2.893,343 4.011,344 3.688,345 5.588,346 3.611,347 2.628,348 3.53,349 1.907,350 7.491,351 2.59,352 3.962,353 3.591,354 5.484,355 3.595,356 2.612,357 3.476,358 1.192,359 7.39,360 2.551,361 3.577,362 3.299,363 5.255,364 3.189,365 2.209,366 2.846,367 0.553,368 6.323,369 2.173,370 3.529,371 2.673,372 4.872,373 3.134,374 2.139,375 2.755,376 0.149,377 5.528,378 2.113,379 3.279,380 2.538,381 4.819,382 2.826,383 1.874,384 2.453,386 5.456,387 1.754,388 2.948,389 2.197,390 4.622,391 2.492,392 1.638,393 2.015,395 4.553,396 1.391,397 2.86,398 2.002,399 3.633,400 2.375,401 1.426,402 1.944,404 3.063,405 1.314,406 2.5,407 1.685,408 3.499,409 2.087,410 1.096,411 1.5,413 2.497,414 1.069,415 2.5,416 1.519,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.388,425 1.262,426 3.247,427 1.956,428 1,429 1.279,431 2.136,432 0.953,433 1.717,434 1,435 3.063,436 1.35,437 0.365,438 0.452,440 0.9,441 0.355,442 1.37,443 1,444 2.756,445 1.015,446 0.064,447 0.075,449 0.151,450 0.059,451 1.178,452 0.55,453 2.351,454 0.788,455 -0.188,456 -0.238,458 -0.447,459 -0.18,460 0.965,461 0.484,462 2.273,463 0.499,464 -0.474,465 -0.612,467 -1.159,468 -0.424,469 13.533,470 0.501,471 0.647,472 0.024,473 34.75,474 1.287,475 18,476 0.667,477 16.75,478 0.62,479 22.159,480 0.821,481 27.867,482 0.606,483 24.56,484 0.91,485 6.783,486 0.251,487 6.242,488 0.231,489 0.148,491 0.288,496 0.665,497 1.133,498 0.645,499 0.814,500 0.528,501 0.852,502 0.592,503 1.076,504 0.637,505 0.832,506 0.552,507 0.9,508 1.029,509 0.965,510 0.861,511 0.927,512 1.044,513 1.005,514 1.213,515 0.942,516 1.066,517 1.004,518 1.189,519 0.985,520 1.274,521 0.941,522 1.357,523 1.163,524 1.471,525 1.023,526 1.503,527 1.118,528 1.375,529 1.217,530 1.521,531 1.075,532 1.025,533 1.16,534 1.026,535 1.15,536 1.111,537 1.028,538 0.802,539 1.036,540 1.383,541 1.274,542 0.739,543 1.099,544 5.5,545 0.119,546 2.667,547 2.201,548 1.143,549 0.698,550 0.598,551 0.324,552 0.265,553 0.199,554 9876,555 29362,556 2.035,557 41.3,558 3,559 9,561 2,562 1,563 2,564 2,567 1.696,568 1.906,569 3.63,570 -0.309,572 1,575 78.18,576 1.7,577 3.859,578 4.822,579 5.116,580 5.116,581 5.116,582 3.102,583 4.208,584 4.724,585 3.817,586 1339.93,587 8.175,588 18238.1,590 1,592 1,593 254.084,594 1.399,595 4.685,596 0.19,597 0.006,598 0.068,599 0.059,600 0.037,601 0.023,602 0.02,603 0.012,604 0.012,605 0.009,606 0.434,607 0.33,608 1,609 0.584,610 137.329,611 -0.033,612 -0.105,613 0.037,614 0.008,615 -0.031,616 0.009,617 0.178,618 -0.039,619 0.189,620 0.056,621 0.057,622 0.005,623 -0.049,624 0.011,625 0.008,626 -0.018,627 -0.08,628 -0.061,629 -0.112,630 0.03,631 -0.012,632 0.015,633 -0.05,634 0.014,635 -0.004,636 0.065,637 -0.153,638 -0.036,639 -0.09,640 -0.034,641 -0.225,642 -0.093,643 -0.198,644 -0.111,645 -0.15,646 -0.111,647 0.257,648 -0.141,649 0.086,650 -0.1,651 0.249,652 -0.07,653 -0.021,654 -0.025,655 -0.179,656 -0.138,657 -0.009,658 -0.064,659 1.774,660 5.594,661 0.63,662 29.602,663 1.004,664 1.11,665 2.446,666 5.981,667 0.724,668 3.401,669 3.689,670 3.892,671 4.094,672 4.22,673 4.127,674 4.22,675 4.277,676 4.317,677 4.344,678 7.461,679 0.676,680 397.56,681 3.401,682 4.92,683 5.74,684 6.592,685 7.428,686 8.285,687 9.131,688 9.99,689 10.842,690 11.705,691 6.5,698 2,701 1,709 8,710 1,714 3,716 12,738 46,739 16,740 1,741 29,743 48,744 20,745 11,746 2,747 4,748 3,752 3,753 3,759 1,766 2,768 16,769 4,772 4,778 2,779 1,780 1,782 4,786 1,789 19,790 5,791 1,792 7,793 2,797 3,800 1,803 1,804 2,816 1,822 1,823 2,838 1,845 2,852 1,855 3,857 2,859 1,862 27,869 3,871 1,873 1,875 1,886 4.3,889 2,893 14.167,894 8.567,895 6,896 2.715,898 2.409,899 1.343,900 0.972,901 6.644,902 9.423,903 3.689,904 4.205,905 4.654,906 5.115,907 5.553,908 5.53,909 5.81,910 6.098,911 6.229,912 6.316,913 0.889,914 37,915 9.985,917 4.18,918 7.84,919 18.876,921 15.099,924 2.34,925 63.167,928 1,929 211.88,930 197.928,931 37.921,933 50.29,935 77.412,936 120.516,937 262.17,938 37.921,939 8.825,940 28.31,941 66.334,942 101.578,943 27.223,945 220.557,946 45.192,947 211.88,948 158.437,949 50.29,950 77.412,952 188.338,953 73.832,956 55.23,957 75.395,958 27.813,959 77.412,960 211.88,961 88.21,962 197.928,965 211.88,966 59.482,967 96.378,968 18.011,969 112.267,970 211.88,971 88.21,972 197.928,973 0.575,974 0.325,975 0.169,976 0.09,977 17,978 8,979 0.125,980 6,982 1,983 4.02,984 212.246,986 17,987 124.382,989 1,990 1,993 19.589,994 9.157,995 5.407,997 88.21,998 14.75,999 3.955,1003 2.801,1005 18.011,1006 498.018,1007 39,1013 24.585,1014 5.334,1015 1.855,1017 0.941,1020 46.182,1021 51.075,1022 0.308,1023 0.699,1024 0.873,1025 0.926,1026 0.926,1027 0.926,1028 4.905,1029 1.426,1030 5.707,1031 4.553,1032 4.369,1033 4.89,1034 3.881,1035 6.457,1036 4.278,1037 6.088,1038 1.096,1039 7.231,1040 3.063,1041 3.892,1042 4.559,1043 3.224,1044 7.231,1045 3.751,1046 7.369,1047 1,1048 8.852,1049 2.497,1050 5.905,1051 6.941,1052 6.59,1053 10.311,1054 5.722,1055 8.681,1056 1,1057 10.532,1058 2.275,1059 6.236,1060 7.35,1061 6.507,1062 11.96,1063 5.98,1064 10.021,1065 0.365,1066 12.252,1067 2.136,1068 7.722,1069 9.238,1070 9.506,1071 14.561,1072 7.426,1073 11.381,1074 0.064,1075 14,1076 0.9,1077 8.45,1078 10.005,1079 9.751,1080 16.609,1081 8.058,1082 12.758,1083 -0.188,1084 15.772,1085 0.151,1086 9.715,1087 11.663,1088 12.452,1089 19.047,1090 9.276,1091 3.147,1092 -0.474,1093 17.564,1094 -0.447,1095 10.646,1096 12.63,1097 12.933,1098 21.273,1099 10.099,1100 2.628,1101 10.556,1102 19.371,1103 -1.159,1104 11.82,1105 14.161,1106 15.408,1107 23.656,1108 11.213,1109 2.612,1110 7.491,1111 21.193,1112 3.81,1113 12.854,1114 15.249,1115 16.07,1116 25.957,1117 12.136,1118 2.209,1119 7.39,1120 23.026,1121 3.53,1122 13.994,1123 16.702,1124 18.371,1125 28.322,1126 13.204,1127 2.139,1128 6.323,1129 24.869,1130 3.476,1131 15.079,1132 17.869,1133 19.176,1134 30.655,1135 14.181,1136 1.874,1137 5.528,1138 26.721,1139 2.846,1140 16.21,1141 19.273,1142 21.339,1143 33.014,1144 15.229,1145 1.638,1146 5.456,1147 28.58,1148 2.755,1149 17.321,1150 20.491,1151 22.261,1152 35.36,1153 16.236,1154 9549,1155 16636,1156 19.186,1157 33.313,1158 43.123,1159 47.606,1160 43.867,1161 42.458,1162 42.395,1163 55.271,1164 16.614,1165 116.637,1166 40.429,1167 5.377,1168 6.908,1169 6.449,1170 5.184,1171 5.147,1172 6.81,1173 8.641,1174 17.512,1175 4.893,1176 13.439,1177 1.487,1178 1.642,1179 1.513,1180 1.464,1181 1.462,1182 1.906,1183 0.573,1184 4.022,1185 1.394,1186 3.971,1187 3.997,1188 4.213,1189 3.929,1190 7.43,1191 3.909,1192 3.882,1193 3.926,1194 3.847,1195 3.758,1196 7.426,1197 3.766,1198 3.777,1199 3.811,1200 3.822,1201 3.715,1202 4.908,1203 3.668,1204 3.588,1205 3.617,1206 3.533,1207 3.471,1208 4.793,1209 3.454,1210 3.282,1211 3.341,1212 3.405,1213 3.172,1214 4.715,1215 3.134,1216 3.132,1217 3.197,1218 3.17,1219 2.969,1220 4.102,1221 2.95,1222 2.897,1223 2.96,1224 2.966,1225 2.863,1226 4.056,1227 2.786,1228 2.854,1229 2.925,1230 2.83,1231 2.735,1232 3.908,1233 2.715,1234 0.152,1235 0.169,1236 0.229,1237 0.14,1238 0.109,1239 4.402,1240 0.131,1241 4.908,1242 0.155,1243 6.647,1244 0.364,1245 4.061,1246 0.1,1247 3.147,1248 3.81,1249 4.506,1250 10.556,1251 2.893,1252 1.938,1253 1.914,1254 2.052,1255 2.008,1256 1.233,1257 2.025,1258 1.831,1259 1.79,1260 1.957,1261 1.99,1262 1.159,1263 1.982,1264 1.681,1265 1.628,1266 1.886,1267 1.865,1268 0.944,1269 1.875,1270 1.477,1271 1.463,1272 1.621,1273 1.635,1274 0.752,1275 1.621,1276 1.313,1277 1.295,1278 1.466,1279 1.495,1280 0.639,1281 1.513,1282 1.108,1283 1.058,1284 1.331,1285 1.317,1286 0.46,1287 1.335,1288 1.016,1289 0.976,1290 1.181,1291 1.17,1292 0.243,1293 1.216,1294 0.886,1295 0.821,1296 1.169,1297 1.062,1298 0.218,1299 1.107,1300 4.078,1302 5.371,1303 2.398,1304 6.841,1305 4.844,1306 8.387,1307 6.986,1308 9.974,1310 2.022,1315 1.273,1317 2.781,1319 1.302,1321 1.567,1326 31.082,1327 78.18,1328 177.515,1329 221.819,1330 235.329,1331 235.329,1332 235.329,1333 54.914,1334 7.014,1335 63.99,1336 124.32,1337 17,1338 12.256,1339 4.087,1340 3.459,1341 47.281,1342 119,1343 115,1344 0.188,1345 201.8,1346 356.88,1347 484.153,1348 10854,1350 19.225,1351 0.712,1352 0.61,1353 20.079,1354 16.478,1355 13.025,1356 0.449,1357 0.337,1358 8.567,1359 12.04,1360 8.224,1361 6.851,1362 13.722,1363 9.771,1364 11.633,1365 0.298,1366 0.2,1367 12.808,1368 7.813,1369 9.291,1370 0.194,1371 0.112,1372 10.439,1373 5.357,1374 7.398,1375 0.125,1376 0.066,1377 8.713,1378 3.873,1379 5.652,1380 0.084,1381 0.038,1382 6.75,1383 2.579,1384 0.304,1385 87.719,1386 0.228,1387 26.661,1388 0.488,1389 136,1390 414.815,1391 191.744,1392 448.579,1393 595.76,1394 416,1395 155,1396 395.274,1397 197.911,1398 427.568,1399 619.39,1400 400,1401 6.593}
{0 CHEMBL1608392,1 1.532,2 9.211,3 3.566,4 12.716,5 75.431,6 7.706,7 0.6,8 3.581,9 3.694,10 3.176,11 3.153,12 4.812,13 3.127,14 4.026,15 4.179,16 3.448,17 3.485,18 5.363,19 3.443,20 4.233,21 4.429,22 3.424,23 3.601,24 5.301,25 3.518,26 4.278,27 4.49,28 3.3,29 3.582,30 5.292,31 3.464,32 4.316,33 4.569,34 3.26,35 3.522,36 5.338,37 3.395,38 4.196,39 4.447,40 3.074,41 3.318,42 5.312,43 3.201,44 3.845,45 4.085,46 2.724,47 2.999,48 4.915,49 2.875,50 3.512,51 3.76,52 2.547,53 2.697,54 4.54,55 2.578,56 0.108,57 0.457,58 6.072,59 2.859,60 3.815,61 3.705,62 0.169,63 0.691,64 10.522,65 4.464,66 34.232,67 5.815,68 0.134,69 0.831,70 13.95,71 5.694,72 20.613,73 7.594,74 0.129,75 0.846,76 14.993,77 6.211,78 22.237,79 8.397,80 0.128,81 0.84,82 16.912,83 6.684,84 22.668,85 9.384,86 0.198,87 0.71,88 15.659,89 5.687,90 37.587,91 7.697,92 0.168,93 0.499,94 10.846,95 4.065,96 30.145,97 5.392,98 0.142,99 0.372,100 7.538,101 2.82,102 10.216,103 4.086,104 13,105 26,106 0.282,107 0.509,108 0.639,109 0.754,110 0.803,111 0.803,112 3.009,113 0.881,114 -4.91,115 -4.82,116 -4.52,120 45.5,125 1,136 1,138 1,143 9,144 1,145 2,167 2,174 9,176 1,177 5,185 10,189 7,197 6,201 6,209 4,214 7,222 8,227 4,235 8,239 1,247 6,251 2,260 3,264 2,271 1,274 434,275 12.69,276 12.69,277 12.69,278 12.69,279 12.69,280 10.783,281 13.051,282 7.747,283 12.849,284 9.861,285 9.861,286 9.861,287 9.861,288 9.861,289 7.066,290 17.674,291 3.702,292 10.102,293 3.512,294 2.283,295 1.577,296 0.955,297 0.69,298 0.69,299 3.667,305 1,306 1,307 1,308 360,309 3.082,313 134.281,320 1.695,321 13.2,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 41,333 175,334 4.248,335 3.673,336 6.391,337 3.923,338 2.974,339 3.796,340 2.612,341 9.668,342 2.827,343 3.986,344 3.206,345 5.419,346 3.525,347 2.535,348 3.535,349 0.8,350 7.118,351 2.507,352 3.812,353 2.526,354 5.141,355 3.187,356 2.212,357 3.369,359 6.143,360 2.155,361 3.486,362 2.159,363 4.607,364 3.017,365 2.037,366 2.828,368 5.033,369 1.991,370 2.928,371 1.56,372 3.896,373 2.479,374 1.492,375 2.096,377 3.312,378 1.47,379 2.5,380 1.03,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.5,389 1,390 3.353,391 2,392 1,393 1.5,395 2.136,396 1,397 2.454,398 1,399 3.247,400 1.816,401 0.842,402 1.186,404 1.987,405 0.818,406 2.007,407 1,408 2.926,409 1.505,410 0.521,411 0.786,413 1.18,414 0.512,415 1,416 0.797,417 2.261,418 0.553,419 -0.426,420 -0.557,422 -0.978,423 -0.415,424 0.95,425 -0.192,426 2,427 0.22,428 -0.753,429 -0.964,431 -1.613,432 -0.729,433 0.632,434 -0.61,435 1.854,437 -1,438 -1.36,440 -2,441 -1,442 0.5,443 -0.805,444 1.555,446 -1,447 -1.5,449 -2.347,450 -1,451 0.5,452 -1,453 1.423,455 -1,456 -1.5,458 -3,459 -1,460 0.105,461 -1,462 1.076,463 -0.189,464 -1.145,465 -1.923,467 -3.079,468 -1.09,469 8.967,470 0.472,471 0.421,472 0.022,473 28.5,474 1.5,475 17,476 0.895,477 11.5,478 0.605,479 9.895,480 0.521,481 19.833,482 0.601,483 18.793,484 0.989,485 5.98,486 0.315,487 3.185,488 0.168,489 0.13,491 0.257,496 0.31,497 1.13,498 0.72,499 0.973,500 0.481,501 0.931,502 0.573,503 1.075,504 0.863,505 0.981,506 0.336,507 0.96,508 0.736,509 1.062,510 1.018,511 1.034,512 0.553,513 1.059,514 0.662,515 1.145,516 1.118,517 1.196,518 0.586,519 1.226,520 0.513,521 0.991,522 0.858,523 1.05,524 0.442,525 1.017,526 1.011,527 0.88,528 0.972,529 0.942,530 1.028,531 0.952,532 1.026,533 0.799,534 1.053,535 0.956,536 1.201,537 1.013,538 0.245,539 1.011,540 0.791,541 1.019,542 0.485,543 1.011,544 3.5,545 0.054,546 2,547 0.938,548 0.773,549 0.451,550 0.282,551 0.198,552 0.086,553 0.066,554 3308,555 10737,556 1.995,557 42.4,559 13,560 1,567 1.597,568 1.869,569 3.199,570 -0.776,572 1,574 1,575 50.559,576 1.532,577 2.761,578 3.467,579 4.09,580 4.355,581 4.355,582 2.786,583 3.577,584 4.214,585 3.349,586 572.656,587 7.152,588 5764.64,589 1,590 1,592 1,593 166.465,594 1.384,595 4.178,596 0.175,597 0.008,598 0.077,599 0.038,600 0.037,601 0.023,602 0.018,603 0.018,604 0.01,605 0.007,606 0.409,607 0.5,608 1,609 1.315,610 83.929,611 0.316,612 -0.005,613 0.06,614 0.011,615 -0.004,616 -0.019,617 0.15,618 0.001,619 -0.017,620 -0.006,621 0.28,622 -0.028,623 -0.092,624 -0.035,625 -0.131,626 -0.056,627 -0.02,628 -0.09,629 -0.062,630 -0.164,631 -0.216,632 -0.207,633 -0.062,634 -0.233,635 0.072,636 -0.071,637 0.11,638 -0.049,639 0.099,640 0.025,641 -0.062,642 0.018,643 0.054,644 0.043,645 -0.028,646 0.065,647 -0.047,648 0.099,649 -0.038,650 0.033,651 -0.148,652 -0.001,653 0.445,654 -0.066,655 0.198,656 -0.043,657 0.11,658 0.009,659 2.468,660 3.243,661 0.632,662 15.834,663 1.005,664 1.118,665 3.68,666 13.545,667 0.681,668 3.045,669 3.296,670 3.466,671 3.611,672 3.807,673 3.714,674 3.761,675 3.761,676 3.714,677 3.497,678 5.513,679 0.656,680 254.31,681 3.045,682 4.533,683 5.333,684 6.163,685 6.986,686 7.822,687 8.654,688 9.494,689 10.331,690 11.173,691 6.1,699 1,703 1,709 9,714 3,716 12,732 1,738 33,739 15,740 2,741 20,743 34,744 15,745 12,746 3,747 9,748 2,752 2,753 2,768 14,769 1,772 3,775 1,778 2,780 2,786 1,789 14,790 3,792 4,797 2,803 1,804 2,823 2,845 1,850 1,855 2,859 1,862 19,875 1,886 6.1,892 2,893 10.167,894 6.15,895 4.306,896 1.794,898 2.668,899 1.438,900 0.952,901 4.188,902 8.757,903 3.401,904 3.951,905 4.419,906 4.883,907 5.437,908 5.499,909 5.854,910 6.199,911 6.478,912 6.538,913 1,914 25,915 6.927,917 2.786,918 7.974,919 12.979,921 9.964,924 2.474,925 47,926 0.001,929 164.795,930 120.905,931 8.794,933 50.747,936 120.905,937 215.542,938 8.794,939 14.066,940 9.047,941 94.762,943 11.823,944 11.771,945 153.024,946 50.747,947 164.795,948 129.7,949 50.747,952 164.795,954 50.747,956 3.124,957 117.099,958 9.476,960 164.795,961 59.541,962 120.905,965 164.795,966 8.699,967 121.001,969 50.747,970 164.795,971 59.541,972 120.905,973 0.567,974 0.308,975 0.153,976 0.088,977 11,978 5,979 0.118,980 4,982 1,983 3.199,984 126.934,986 12,987 70.711,993 13.153,994 6.05,995 3.585,997 53.871,998 17.59,1003 2.933,1006 345.242,1007 29,1010 -0.468,1013 20.487,1015 2.419,1020 33.16,1021 36.907,1022 0.304,1023 0.547,1024 0.687,1025 0.811,1026 0.863,1027 0.863,1028 4.575,1029 0.842,1030 5.283,1031 2.136,1032 3.97,1033 4.635,1034 2.577,1035 5.999,1036 3.921,1037 5.767,1038 0.521,1039 6.788,1040 1.987,1041 3.434,1042 4.27,1043 2.396,1044 6.756,1045 3.317,1046 7.043,1047 -0.426,1048 8.395,1049 1.18,1050 5.468,1051 6.761,1052 4.162,1053 9.799,1054 5.353,1055 8.353,1056 -0.753,1057 10.064,1058 -0.978,1059 5.74,1060 7.158,1061 4.51,1062 11.408,1063 5.537,1064 9.69,1065 -1,1066 11.776,1067 -1.613,1068 7.242,1069 9.109,1070 5.949,1071 13.969,1072 7.045,1073 11.045,1074 -1,1075 13.517,1076 -2,1077 7.902,1078 9.863,1079 6.556,1080 15.936,1081 7.611,1082 12.414,1083 -1,1084 15.28,1085 -2.347,1086 9.169,1087 11.559,1088 7.794,1089 18.325,1090 8.875,1091 2.974,1092 -1.145,1093 17.06,1094 -3,1095 10.032,1096 12.513,1097 8.548,1098 20.454,1099 9.648,1100 2.535,1101 9.668,1102 18.853,1103 -3.079,1104 11.191,1105 14.066,1106 9.67,1107 22.775,1108 10.789,1109 2.212,1110 7.118,1111 20.657,1112 3.796,1113 12.161,1114 15.143,1115 10.509,1116 24.977,1117 11.677,1118 2.037,1119 6.143,1120 22.47,1121 3.535,1122 13.272,1123 16.609,1124 11.563,1125 27.269,1126 12.758,1127 1.492,1128 5.033,1129 24.29,1130 3.369,1131 14.297,1132 17.767,1133 12.452,1134 29.506,1135 13.71,1136 1,1137 3.312,1138 26.115,1139 2.828,1140 15.389,1141 19.178,1142 13.468,1143 31.785,1144 14.761,1145 1,1146 2.275,1147 27.946,1148 2.096,1149 16.443,1150 20.389,1151 14.386,1152 34.038,1153 15.748,1154 3377,1155 6208,1156 13.118,1157 22.489,1158 29.743,1159 30.303,1160 29.986,1161 29.264,1162 29.226,1163 41.193,1164 6.825,1165 77.7,1166 28.561,1167 4.994,1168 5.673,1169 6.193,1170 4.923,1171 4.974,1172 6.796,1173 4.612,1174 16.41,1175 4.827,1176 9.312,1177 1.487,1178 1.515,1179 1.499,1180 1.463,1181 1.461,1182 2.06,1183 0.341,1184 3.885,1185 1.428,1186 3.999,1187 4.033,1188 3.945,1189 3.916,1190 7.816,1191 3.917,1192 3.859,1193 3.891,1194 3.801,1195 3.783,1196 6.999,1197 3.777,1198 3.708,1199 3.738,1200 3.668,1201 3.392,1202 4.825,1203 3.442,1204 3.3,1205 3.381,1206 3.174,1207 3.055,1208 4.691,1209 3.075,1210 2.962,1211 3.012,1212 2.824,1213 2.735,1214 4.18,1215 2.724,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.927,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.673,1226 3.674,1227 2.715,1228 2.742,1229 2.818,1230 2.538,1231 2.602,1232 3.674,1233 2.576,1234 0.212,1235 0.184,1236 0.32,1237 0.196,1238 0.149,1239 4.248,1240 0.19,1241 3.673,1242 0.131,1243 6.391,1244 0.483,1245 3.923,1246 0.141,1247 2.974,1248 3.796,1249 2.612,1250 9.668,1251 2.827,1252 1.959,1253 1.93,1254 2.063,1255 2.07,1256 1.161,1257 2.065,1258 1.851,1259 1.822,1260 1.975,1261 1.978,1262 1.04,1263 1.961,1264 1.521,1265 1.48,1266 1.668,1267 1.853,1268 0.699,1269 1.79,1270 1.25,1271 1.166,1272 1.555,1273 1.526,1274 0.546,1275 1.547,1276 0.886,1277 0.821,1278 1.181,1279 1.16,1280 0.218,1281 1.142,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.847,1289 0.801,1290 1.077,1291 1.062,1292 0.163,1293 1.107,1294 0.762,1295 0.698,1296 0.972,1297 0.957,1299 0.993,1300 3.714,1302 4.977,1304 6.435,1306 7.974,1308 9.557,1310 1.983,1321 2.057,1326 21.633,1327 50.559,1328 91.127,1329 114.426,1330 134.955,1331 143.71,1332 143.71,1333 26.453,1334 6.089,1335 49.06,1336 49.06,1337 12,1338 11.738,1339 4,1340 3.322,1341 33.886,1342 62,1343 59,1344 0.273,1345 138.031,1346 240,1347 328.555,1348 2895,1350 13.665,1351 0.719,1352 0.556,1353 13.665,1354 10.562,1355 9.165,1356 0.458,1357 0.294,1358 5.797,1359 8.8,1360 5.629,1361 4.746,1362 9.165,1363 5.872,1364 8.009,1365 0.308,1366 0.157,1367 8.009,1368 4.087,1369 6.181,1370 0.199,1371 0.091,1372 6.181,1373 2.813,1374 4.617,1375 0.128,1376 0.049,1377 4.617,1378 1.757,1379 3.742,1380 0.085,1381 0.026,1382 3.742,1383 1.139,1384 0.43,1385 57.546,1386 0.276,1387 19.393,1388 0.737,1389 92,1390 300.761,1391 100.258,1392 293.65,1393 388.99,1394 270,1395 103,1396 285.182,1397 110.653,1398 286.447,1399 402.1,1400 267,1401 5.297}
{0 CHEMBL1608578,1 1.709,2 10.808,3 4.007,4 16.058,5 99.477,6 8.772,7 0.586,8 3.878,9 3.954,10 3.629,11 3.463,12 5.06,13 3.452,14 4.384,15 4.496,16 4.009,17 3.816,18 5.58,19 3.804,20 4.478,21 4.606,22 4.013,23 3.876,24 5.633,25 3.855,26 4.589,27 4.719,28 4.106,29 3.903,30 5.845,31 3.868,32 4.614,33 4.771,34 4.003,35 3.879,36 5.809,37 3.795,38 4.487,39 4.666,40 3.775,41 3.729,42 5.63,43 3.621,44 4.337,45 4.555,46 3.536,47 3.49,48 5.397,49 3.411,50 4.091,51 4.275,52 3.489,53 3.392,54 5.167,55 3.341,56 0.09,57 0.574,58 6.71,59 3.971,60 7.248,61 4.082,62 0.474,63 0.945,64 16.235,65 6.517,66 31.072,67 6.639,68 0.339,69 1.028,70 15.915,71 7.354,72 23.508,73 7.935,74 0.61,75 1.141,76 19.954,77 8.219,78 43.908,79 8.363,80 0.71,81 1.16,82 24.063,83 9.158,84 53.046,85 9.122,86 0.543,87 1.044,88 23.552,89 8.355,90 49.84,91 8.48,92 0.472,93 0.878,94 21.391,95 6.933,96 42.349,97 7.634,98 0.3,99 0.677,100 13.576,101 5.19,102 23.393,103 5.874,104 14,105 41,106 0.296,107 0.629,108 0.745,109 0.818,110 0.838,111 0.863,112 3.304,113 0.913,114 -4.24,115 -4.18,116 -3.95,120 45.2,125 2,129 1,143 7,144 3,145 2,147 1,152 1,159 1,163 1,174 9,176 1,177 7,180 2,182 2,185 8,188 1,189 8,194 2,197 5,200 3,201 8,204 1,206 2,209 3,213 2,214 4,217 1,219 2,222 4,226 1,227 3,230 1,232 2,235 3,239 1,240 3,245 1,247 4,251 1,252 4,260 7,264 4,271 7,274 968,275 18.033,276 18.033,277 18.033,278 18.033,279 18.033,280 15.931,281 18.914,282 10.519,283 18.774,284 14.202,285 14.202,286 14.202,287 14.202,288 14.202,289 10.879,290 26.477,291 4.805,292 15.231,293 3.684,294 1.763,295 1.093,296 0.673,297 0.56,298 0.417,299 4.002,305 1,306 1,307 1,308 613,309 2.739,312 120.346,313 150.41,316 103.098,320 1.592,321 26.3,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 57,333 281,334 4.619,335 3.86,336 6.989,337 4.275,338 3.307,339 4.285,340 1.818,341 11.889,342 3.198,343 4.294,344 3.15,345 6.189,346 3.87,347 2.922,348 3.954,349 1.07,350 9.252,351 2.792,352 3.892,353 3.08,354 6.079,355 3.566,356 2.643,357 3.286,358 0.86,359 8.752,360 2.425,361 3.728,362 2.882,363 5.488,364 3.255,365 2.344,366 3.163,367 0.86,368 7.047,369 2.127,370 3.401,371 2.397,372 5.225,373 3.021,374 2.045,375 2.63,376 0.139,377 6.173,378 1.969,379 3.128,380 2.236,381 4.727,382 2.684,383 1.718,384 2.365,386 4.802,387 1.644,388 2.905,389 1.866,390 4.383,391 2.496,392 1.581,393 1.977,395 4.167,396 1.426,397 2.694,398 1.679,399 4.235,400 2.311,401 1.388,402 1.741,404 3.583,405 1.269,406 2.5,407 1.191,408 3.489,409 2,410 1.05,411 1.5,413 2.583,414 1,415 2.465,416 1.13,417 3.273,418 2,419 1,420 1.449,422 2.136,423 0.986,424 2.167,425 1.033,426 3.248,427 1.625,428 0.735,429 1.004,431 1.655,432 0.646,433 1.927,434 1,435 3.247,436 1.476,437 0.675,438 0.849,440 1.383,441 0.531,442 1.482,443 0.703,444 2.924,445 1.198,446 0.34,447 0.373,449 0.478,450 0.288,451 1.008,452 0.648,453 2.595,454 0.715,455 -0.188,456 -0.213,458 -0.527,459 -0.168,460 0.949,461 0.047,462 2.393,463 0.514,464 -0.462,465 -0.557,467 -0.861,468 -0.422,469 12.467,470 0.479,471 0.551,472 0.021,473 36.25,474 1.394,475 19,476 0.731,477 17.25,478 0.663,479 18.923,480 0.728,481 27.133,482 0.646,483 26.237,484 1.009,485 7.384,486 0.284,487 5.323,488 0.205,489 0.107,491 0.361,496 0.834,497 1.142,498 0.674,499 0.944,500 0.659,501 0.844,502 1.076,503 0.907,504 0.853,505 0.843,506 0.731,507 0.745,508 0.896,509 1.209,510 0.802,511 1.017,512 0.817,513 0.962,514 0.999,515 1.157,516 0.984,517 1.1,518 0.997,519 1.054,520 1.209,521 1.061,522 1.224,523 1.035,524 1.23,525 1.037,526 1.173,527 1.065,528 1.363,529 1.156,530 1.504,531 1.114,532 1.138,533 0.81,534 1.045,535 0.87,536 1.317,537 0.824,538 0.923,539 0.768,540 0.737,541 0.793,542 0.823,543 0.792,544 4.5,545 0.127,546 2.889,547 2.326,548 1.491,549 1.018,550 0.376,551 0.315,552 0.219,553 0.184,554 8095,555 24213,556 2.124,557 38.1,559 13,560 2,562 1,567 1.69,568 2,569 3.387,570 -0.294,572 1,575 71.767,576 1.709,577 3.629,578 4.299,579 4.719,580 4.833,581 4.975,582 2.869,583 4.547,584 4.671,585 3.528,586 1146.61,587 8.088,588 14114.2,590 1,592 1,593 226.477,594 1.37,595 4.637,596 0.155,597 0.007,598 0.07,599 0.055,600 0.036,601 0.029,602 0.014,603 0.014,604 0.01,605 0.008,606 0.399,607 0.17,608 1,609 0.825,610 126.862,611 -0.065,612 -0.108,613 0.063,614 -0.027,615 -0.085,616 0.007,617 0.016,618 0.122,619 0.06,620 0.121,621 0.032,622 0.136,623 0.02,624 -0.205,625 0.01,626 -0.115,627 -0.009,628 -0.064,629 0.133,630 -0.125,631 -0.023,632 -0.138,633 0.085,634 -0.163,635 -0.018,636 -0.046,637 -0.088,638 0.024,639 -0.021,640 -0.085,641 -0.116,642 -0.033,643 -0.163,644 -0.061,645 -0.131,646 -0.125,647 -0.089,648 0.19,649 0.068,650 0.139,651 -0.076,652 0.199,653 0.01,654 0.207,655 0.184,656 0.142,657 0.012,658 0.192,659 2.118,660 5.326,661 0.769,662 23.249,663 1.018,664 1.111,665 3.006,666 9.036,667 0.71,668 3.401,669 3.738,670 4.078,671 4.394,672 4.575,673 4.654,674 4.812,675 4.92,676 4.984,677 5.024,678 6.234,679 0.685,680 368.44,681 3.401,682 4.949,683 5.826,684 6.725,685 7.62,686 8.526,687 9.428,688 10.337,689 11.243,690 12.154,691 4.8,696 1,701 1,709 8,710 1,713 1,714 7,716 17,726 1,729 1,735 2,738 42,739 18,740 2,741 29,743 45,744 19,745 15,746 5,747 7,748 1,752 4,753 5,768 16,769 3,772 1,778 1,782 1,786 1,789 16,790 6,791 1,792 7,793 1,797 2,803 0.75,804 4,822 2,823 2,826 1,855 3,857 1,859 2,862 26,871 1,872 3,874 1,879 1,886 9.5,889 1,891 3,893 13,894 8.283,895 5.833,896 2.267,898 3.19,899 1.419,900 0.997,901 4.72,902 10.808,903 3.676,904 4.28,905 4.901,906 5.491,907 5.937,908 6.161,909 6.527,910 6.822,911 7.118,912 7.36,913 1,914 42,915 9.595,917 4.118,918 7.788,919 18.064,921 14.69,924 2.288,925 59.5,928 1,929 176.567,930 157.519,931 34.796,933 58.145,935 31.278,936 126.241,937 234.711,938 34.796,939 21.766,941 73.983,942 67.133,943 56.301,944 23.542,945 184.302,947 176.567,948 161.038,949 58.145,950 31.278,952 176.567,953 58.145,956 3.257,957 122.984,958 34.796,959 31.278,960 176.567,961 92.941,962 157.519,965 176.567,966 61.77,967 95.749,968 18.011,969 74.93,970 176.567,971 92.941,972 157.519,973 0.576,974 0.36,975 0.211,976 0.11,977 21,978 9,979 0.111,980 5,981 1,982 1.1,983 3.793,984 225.671,985 0.1,986 20,987 118.211,989 1,993 17.157,994 7.154,995 3.151,997 92.941,998 15.417,999 4.578,1002 1.455,1003 4.521,1005 18.011,1006 427.026,1007 38.5,1013 12.326,1017 -0.451,1020 42.774,1021 46.661,1022 0.317,1023 0.673,1024 0.797,1025 0.875,1026 0.896,1027 0.923,1028 4.914,1029 1.388,1030 5.814,1031 4.167,1032 4.419,1033 4.966,1034 2.509,1035 6.671,1036 4.295,1037 6.121,1038 1.05,1039 7.397,1040 3.583,1041 4.007,1042 4.732,1043 0.877,1044 7.664,1045 3.86,1046 7.434,1047 1,1048 9.082,1049 2.583,1050 6.047,1051 7.158,1052 3.218,1053 10.807,1054 5.834,1055 8.788,1056 0.735,1057 10.83,1058 2.136,1059 6.509,1060 7.785,1061 1.777,1062 12.668,1063 6.266,1064 10.175,1065 0.675,1066 12.618,1067 1.655,1068 7.99,1069 9.647,1070 4.225,1071 15.331,1072 7.706,1073 11.588,1074 0.34,1075 14.434,1076 1.383,1077 8.844,1078 10.676,1079 2.949,1080 17.544,1081 8.53,1082 13.02,1083 -0.188,1084 16.271,1085 0.478,1086 10.117,1087 12.303,1088 5.339,1089 20.061,1090 9.772,1091 3.307,1092 -0.462,1093 18.124,1094 -0.527,1095 11.148,1096 13.531,1097 4.256,1098 22.422,1099 10.774,1100 2.922,1101 11.889,1102 19.99,1103 -0.861,1104 12.348,1105 15.053,1106 6.487,1107 24.897,1108 11.945,1109 2.643,1110 9.252,1111 21.866,1112 4.285,1113 13.458,1114 16.382,1115 5.584,1116 27.32,1117 13.026,1118 2.344,1119 8.752,1120 23.752,1121 3.954,1122 14.635,1123 17.857,1124 7.646,1125 29.787,1126 14.176,1127 2.045,1128 7.047,1129 25.645,1130 3.286,1131 15.782,1132 19.239,1133 6.899,1134 32.237,1135 15.293,1136 1.718,1137 6.173,1138 27.544,1139 3.163,1140 16.956,1141 20.693,1142 8.809,1143 34.704,1144 16.439,1145 1.581,1146 4.802,1147 29.45,1148 2.63,1149 18.12,1150 22.102,1151 8.197,1152 37.166,1153 17.573,1154 7698,1155 13470,1156 19.592,1157 29.807,1158 43.886,1159 44.982,1160 45.475,1161 43.343,1162 43.495,1163 57.15,1164 9.492,1165 127.8,1166 40.601,1167 5.527,1168 5.86,1169 6.791,1170 5.412,1171 5.307,1172 7.285,1173 3.561,1174 19.323,1175 5.198,1176 11.324,1177 1.513,1178 1.551,1179 1.568,1180 1.495,1181 1.5,1182 1.971,1183 0.327,1184 4.407,1185 1.4,1186 4.035,1187 4.046,1188 4.233,1189 3.96,1190 7.433,1191 3.95,1192 3.943,1193 3.959,1194 3.969,1195 3.884,1196 4.954,1197 3.88,1198 3.677,1199 3.704,1200 3.769,1201 3.653,1202 4.88,1203 3.589,1204 3.433,1205 3.446,1206 3.383,1207 3.187,1208 4.653,1209 3.226,1210 3.254,1211 3.317,1212 3.093,1213 2.987,1214 4.503,1215 3.002,1216 3.139,1217 3.202,1218 2.96,1219 2.873,1220 4.47,1221 2.874,1222 3.01,1223 3.059,1224 2.889,1225 2.807,1226 4.096,1227 2.808,1228 2.854,1229 2.925,1230 2.81,1231 2.735,1232 3.702,1233 2.715,1234 0.159,1235 0.133,1236 0.241,1237 0.147,1238 0.114,1239 4.619,1240 0.148,1241 3.86,1242 0.063,1243 6.989,1244 0.41,1245 4.275,1246 0.11,1247 3.307,1248 4.285,1249 1.818,1250 11.889,1251 3.198,1252 1.906,1253 1.881,1254 2.02,1255 1.987,1256 1.14,1257 1.996,1258 1.883,1259 1.874,1260 1.952,1261 1.976,1262 1.095,1263 1.971,1264 1.415,1265 1.395,1266 1.586,1267 1.685,1268 0.672,1269 1.648,1270 1.311,1271 1.285,1272 1.575,1273 1.528,1274 0.575,1275 1.541,1276 1.203,1277 1.155,1278 1.451,1279 1.482,1280 0.566,1281 1.492,1282 1.186,1283 1.125,1284 1.378,1285 1.415,1286 0.518,1287 1.427,1288 1.073,1289 1.052,1290 1.181,1291 1.299,1292 0.23,1293 1.279,1294 0.899,1295 0.855,1296 1.148,1297 1.062,1298 0.218,1299 1.107,1300 4.078,1302 5.407,1303 3.045,1304 6.938,1305 5.416,1306 8.562,1307 7.526,1308 10.238,1310 3.028,1317 3.174,1318 16.069,1320 -0.618,1326 28.777,1327 71.767,1328 152.419,1329 180.561,1330 198.213,1331 202.968,1332 208.968,1333 39.198,1334 7.618,1335 69.68,1336 97.92,1337 22,1338 12.669,1339 4.248,1340 3.392,1341 38.122,1342 97,1343 98,1344 0.195,1345 177.809,1346 307.03,1347 425.615,1348 20993,1350 18.096,1351 0.696,1352 0.577,1353 18.449,1354 15.001,1355 12.707,1356 0.438,1357 0.304,1358 7.86,1359 11.653,1360 7.574,1361 6.29,1362 13.161,1363 8.823,1364 11.105,1365 0.271,1366 0.157,1367 11.682,1368 6.457,1369 9.932,1370 0.171,1371 0.084,1372 10.572,1373 4.891,1374 8.821,1375 0.11,1376 0.045,1377 9.555,1378 3.64,1379 6.879,1380 0.072,1381 0.025,1382 7.49,1383 2.359,1384 0.304,1385 85.225,1386 0.226,1387 25.016,1388 0.536,1389 140,1390 467.781,1391 179.958,1392 458.301,1393 628.03,1394 432,1395 169,1396 445.28,1397 204.716,1398 463.673,1399 687.41,1400 433,1401 4.866}
{0 CHEMBL1608636,1 1.364,2 9.095,3 2.857,4 8.161,5 84.496,6 6.114,7 0.273,8 3.929,9 4.057,10 3.313,11 3.375,12 4.871,13 3.328,14 4.527,15 4.733,16 3.651,17 3.741,18 5.411,19 3.68,20 4.787,21 4.995,22 3.643,23 3.9,24 5.711,25 3.786,26 4.869,27 5.161,28 3.54,29 3.899,30 5.57,31 3.735,32 4.783,33 5.019,34 3.387,35 3.828,36 5.629,37 3.66,38 4.853,39 5.171,40 3.338,41 3.697,42 5.642,43 3.51,44 4.556,45 4.825,46 3.223,47 3.494,48 5.472,49 3.358,50 4.413,51 4.68,52 2.995,53 3.422,54 5.236,55 3.261,56 0.049,57 0.63,58 12.138,59 4.813,60 8.847,61 6.713,62 0.219,63 0.982,64 22.144,65 7.292,66 20.935,67 10.627,68 0.608,69 1.18,70 29.039,71 9.199,72 47.293,73 13.341,74 0.341,75 1.225,76 29.713,77 9.962,78 27.069,79 14.993,80 0.321,81 1.109,82 27.884,83 9.532,84 37.958,85 13.725,86 0.459,87 1.04,88 29.163,89 8.994,90 49.803,91 13.631,92 0.422,93 0.82,94 22.374,95 6.647,96 42.958,97 9.921,98 0.298,99 0.747,100 19.103,101 6.057,102 32.953,103 8.993,104 26,105 30,106 0.239,107 0.508,108 0.714,109 0.744,110 0.764,111 0.764,112 3.102,113 1.049,114 -2.98,115 -2.99,116 -2.88,120 35.4,121 4,126 4,128 3,143 3,144 2,145 1,174 6,177 4,185 8,188 1,189 4,192 2,197 4,200 1,201 3,209 4,219 2,227 2,230 1,232 4,239 1,240 4,245 3,252 3,264 2,271 4,274 557,275 13.48,276 13.48,277 13.48,278 13.48,279 13.48,280 12.679,281 20.267,282 8.03,283 13.894,284 10.899,285 10.899,286 10.899,287 10.899,288 10.899,289 9.699,290 27.249,291 3.905,292 11.594,293 4.221,294 2.689,295 1.517,296 1.344,297 1.23,298 1.23,299 3.757,305 1,306 1,307 1,308 393,309 3,313 154.241,320 1.433,321 18.351,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 45.5,333 191,334 4.162,335 3.18,336 5.711,337 3.756,338 2.806,339 3.809,340 0.86,341 8.07,342 2.713,343 3.797,344 3.034,345 5.662,346 3.71,347 2.764,348 2.799,349 0.86,350 7.92,351 2.564,352 3.419,353 2.73,354 5.136,355 3.289,356 2.362,357 2.598,358 0.8,359 6.377,360 2.174,361 3.245,362 2.44,363 4.864,364 2.941,365 2.008,366 2.481,368 5.614,369 1.879,370 3.232,371 2.171,372 4.618,373 2.879,374 1.879,375 2.311,377 4.963,378 1.864,379 2.879,380 2.147,381 4.618,382 2.839,383 1.879,384 1.879,386 4.963,387 1.794,388 2.788,389 2.093,390 4.598,391 2.663,392 1.756,393 1.791,395 4.873,396 1.581,397 1.694,398 1.123,399 3.189,400 1.468,401 0.59,402 0.635,404 1.413,405 0.512,406 1,407 0.236,408 2.729,409 0.724,410 -0.18,411 -0.184,413 -0.506,414 -0.161,415 0.924,416 -0.075,417 2.382,418 0.653,419 -0.347,420 -0.347,422 -0.891,423 -0.327,424 0.768,425 -0.11,426 2.382,427 0.602,428 -0.347,429 -0.445,431 -0.891,432 -0.347,433 0.653,434 -0.145,435 2.296,436 0.523,437 -0.447,438 -0.536,440 -1.136,441 -0.429,442 0.428,443 -0.263,444 2,445 0.349,446 -0.578,447 -0.592,449 -1.348,450 -0.531,451 0.26,452 -0.287,453 1.639,454 0.107,455 -0.817,456 -0.864,458 -2.008,459 -0.748,460 -0.129,461 -0.928,462 1.283,463 -0.215,464 -1.172,465 -1.175,467 -3,468 -1.111,469 9.9,470 0.471,471 0.667,472 0.032,473 19.5,474 0.929,475 6.5,476 0.31,477 13,478 0.619,479 21.6,480 1.029,481 25.5,482 0.531,483 12.457,484 0.593,485 3.759,486 0.179,487 6.16,488 0.293,489 0.236,491 0.343,496 0.937,497 1.55,498 1.006,499 1.398,500 1.078,501 1.236,502 1.311,503 1.119,504 0.995,505 1.034,506 0.914,507 0.963,508 1.541,509 1.129,510 1.342,511 1.111,512 1.392,513 1.189,514 0.738,515 0.876,516 0.869,517 0.913,518 0.567,519 0.9,520 1.33,521 1.279,522 1.305,523 1.318,524 1.522,525 1.318,526 0.937,527 0.785,528 0.746,529 0.764,530 1.166,531 0.735,532 1.395,533 0.903,534 1.026,535 0.872,536 1.707,537 0.892,538 1.462,539 0.925,540 1.143,541 0.864,542 1.841,543 0.952,544 6.5,545 0.149,546 1.333,547 2,548 1.147,549 0.431,550 0.428,551 0.115,552 0.206,553 0.102,554 4398,555 9223,556 1.941,557 56.3,558 6,559 14,562 1,564 6,567 1.627,568 1.775,569 3.179,570 -0.338,571 1,572 1,575 65.454,576 1.364,577 2.896,578 4.068,579 4.241,580 4.355,581 4.355,582 2.475,583 3.821,584 4.37,585 3.383,586 710.439,587 7.458,588 7950.51,590 1,592 1,593 268.078,594 1.545,595 4.294,596 0.295,597 0.012,598 0.044,599 0.074,600 0.046,601 0.023,602 0.023,603 0.007,604 0.015,605 0.006,606 0.545,607 0.67,608 1,609 0.702,610 96.7,611 -0.016,612 -0.204,613 0.05,614 -0.106,615 -0.157,616 -0.031,617 -0.093,618 0.036,619 0.071,620 0.034,621 0.023,622 0.077,623 -0.05,624 -0.049,625 -0.255,626 -0.086,627 -0.122,628 -0.193,629 0.041,630 0.11,631 0.081,632 0.041,633 0.101,634 0.069,635 -0.155,636 -0.278,637 -0.294,638 -0.29,639 -0.186,640 -0.312,641 0.107,642 0.042,643 0.211,644 0.105,645 0.134,646 0.165,647 -0.004,648 0.013,649 0.009,650 0.038,651 -0.003,652 0.027,653 -0.215,654 0.019,655 -0.128,656 0.082,657 -0.294,658 -0.004,659 1.816,660 4.166,661 0.571,662 15.406,663 0.991,664 1.136,665 1.754,666 3.075,667 0.61,668 3.135,669 3.434,670 3.526,671 3.784,672 3.829,673 3.807,674 3.555,675 3.555,676 3.611,677 3.497,678 5.879,679 0.563,680 293.45,681 3.135,682 4.654,683 5.442,684 6.301,685 7.099,686 7.959,687 8.761,688 9.62,689 10.423,690 11.281,691 2.1,694 1,709 3,714 3,716 6,735 1,738 48,739 6,740 1,741 22,743 49,744 17,745 6,746 3,747 3,752 2,753 2,759 4,763 2,766 3,768 6,769 11,785 1,786 1,789 27,790 4,791 1,792 4,797 1,803 1,804 3,806 1,823 2,851 1,853 1,854 1,855 2,859 4,862 21,868 1,869 4,872 2,874 3,875 1,886 6.3,887 1,890 1,891 1,893 11.833,894 9.483,895 4.583,896 2.936,898 1.05,899 1.168,900 0.879,901 5.764,902 7.294,903 3.258,904 3.726,905 4.039,906 4.498,907 4.801,908 4.772,909 4.424,910 4.464,911 4.712,912 4.575,913 0.833,914 27,915 7.822,917 3.171,918 7.595,919 15.322,921 12.297,924 2.095,925 44,926 0.001,929 306.049,930 86.254,931 3.124,933 64.683,936 86.254,937 370.732,938 3.124,939 35.301,940 10.909,941 71.112,942 11,943 25.739,945 306.049,947 306.049,948 89.378,949 64.683,952 235.422,953 81.626,954 53.683,956 49.335,957 40.043,960 306.049,961 67.807,962 86.254,965 306.049,966 22.524,967 66.854,969 64.683,970 306.049,971 67.807,972 86.254,973 0.581,974 0.302,975 0.169,976 0.082,977 13,978 7,979 0.102,980 5,982 1,983 3.335,984 146.116,986 12,987 80.239,993 16.436,994 7.365,995 5.4,997 67.807,998 6.108,1003 3.181,1005 42.683,1006 460.11,1007 25,1020 47.571,1021 54.524,1022 0.244,1023 0.519,1024 0.728,1025 0.759,1026 0.78,1027 0.78,1028 4.505,1029 0.59,1030 5.434,1031 4.873,1032 4.111,1033 4.407,1034 1.593,1035 6.151,1036 3.993,1037 5.657,1038 -0.18,1039 6.934,1040 1.413,1041 3.761,1042 4.182,1043 0.325,1044 6.763,1045 3.599,1046 6.915,1047 -0.347,1048 8.515,1049 -0.506,1050 5.624,1051 6.348,1052 1.294,1053 9.778,1054 5.394,1055 8.188,1056 -0.347,1057 10.135,1058 -0.891,1059 5.916,1060 6.793,1061 0.268,1062 11.049,1063 5.638,1064 9.485,1065 -0.447,1066 11.777,1067 -0.891,1068 7.341,1069 8.586,1070 1.061,1071 13.614,1072 7.006,1073 10.798,1074 -0.578,1075 13.433,1076 -1.136,1077 7.967,1078 9.395,1079 0.188,1080 15.237,1081 7.583,1082 12.126,1083 -0.817,1084 15.101,1085 -1.348,1086 9.189,1087 11.012,1088 0.861,1089 17.581,1090 8.754,1091 2.806,1092 -1.172,1093 16.777,1094 -2.008,1095 9.999,1096 12.034,1097 0.125,1098 19.405,1099 9.516,1100 2.764,1101 8.07,1102 18.461,1103 -3,1104 11.119,1105 13.549,1106 0.69,1107 21.63,1108 10.591,1109 2.362,1110 7.92,1111 20.152,1112 3.809,1113 12.029,1114 14.697,1115 0.082,1116 23.568,1117 11.453,1118 2.008,1119 6.377,1120 21.848,1121 2.799,1122 13.099,1123 16.148,1124 0.544,1125 25.727,1126 12.48,1127 1.879,1128 5.614,1129 23.55,1130 2.598,1131 14.063,1132 17.371,1133 0.054,1134 27.729,1135 13.397,1136 1.879,1137 4.963,1138 25.256,1139 2.481,1140 15.108,1141 18.781,1142 0.424,1143 29.852,1144 14.401,1145 1.756,1146 4.963,1147 26.966,1148 2.311,1149 16.1,1150 20.049,1151 0.035,1152 31.889,1153 15.348,1154 4451,1155 6516,1156 13.929,1157 29.267,1158 32.251,1159 32.844,1160 33.159,1161 32.035,1162 32.088,1163 36.609,1164 5.04,1165 88.385,1166 30.165,1167 5.162,1168 5.18,1169 5.024,1170 4.862,1171 4.806,1172 6.809,1173 1.72,1174 14.07,1175 4.713,1176 12.724,1177 1.466,1178 1.493,1179 1.507,1180 1.456,1181 1.459,1182 1.664,1183 0.229,1184 4.018,1185 1.371,1186 3.957,1187 3.985,1188 3.889,1189 3.882,1190 6.449,1191 3.879,1192 3.858,1193 3.908,1194 3.751,1195 3.668,1196 4.837,1197 3.68,1198 3.573,1199 3.615,1200 3.44,1201 3.374,1202 4.656,1203 3.381,1204 3.367,1205 3.452,1206 3.151,1207 3.217,1208 4.334,1209 3.19,1210 3.266,1211 3.35,1212 3.067,1213 3.125,1214 3.966,1215 3.101,1216 3.172,1217 3.245,1218 3.018,1219 2.942,1220 3.929,1221 2.946,1222 3.012,1223 3.098,1224 2.812,1225 2.792,1226 3.903,1227 2.779,1228 2.717,1229 2.825,1230 2.414,1231 2.444,1232 3.542,1233 2.416,1234 0.189,1235 0.145,1236 0.26,1237 0.171,1238 0.128,1239 4.162,1240 0.173,1241 3.18,1242 0.039,1243 5.711,1244 0.367,1245 3.756,1246 0.123,1247 2.806,1248 3.809,1249 0.86,1250 8.07,1251 2.713,1252 1.928,1253 1.905,1254 2.051,1255 2.035,1256 1.306,1257 2.037,1258 1.795,1259 1.742,1260 1.999,1261 2.003,1262 1.175,1263 2.008,1264 1.528,1265 1.481,1266 1.775,1267 1.761,1268 1.054,1269 1.765,1270 1.405,1271 1.325,1272 1.733,1273 1.606,1274 0.97,1275 1.655,1276 1.303,1277 1.226,1278 1.639,1279 1.507,1280 0.719,1281 1.557,1282 1.131,1283 1.059,1284 1.465,1285 1.417,1286 0.621,1287 1.435,1288 1.015,1289 0.922,1290 1.38,1291 1.274,1292 0.468,1293 1.311,1294 0.737,1295 0.621,1296 1.209,1297 1.049,1298 0.398,1299 1.102,1300 3.807,1302 5.106,1304 6.567,1306 8.112,1308 9.7,1310 8.238,1314 10.166,1315 2.682,1318 11.416,1320 -0.036,1321 2.244,1326 27.014,1327 65.454,1328 139.017,1329 195.284,1330 203.549,1331 209.059,1332 209.059,1333 40.42,1334 6.244,1335 41.93,1336 41.93,1337 12,1338 11.845,1339 2.807,1340 2,1341 39.517,1342 75,1343 52,1344 0.258,1345 169.054,1346 296.49,1347 404.252,1348 3752,1350 15.405,1351 0.734,1352 0.643,1353 15.405,1354 13.503,1355 9.919,1356 0.451,1357 0.35,1358 7.576,1359 9.483,1360 7.213,1361 6.041,1362 9.919,1363 7.691,1364 9.485,1365 0.316,1366 0.209,1367 9.485,1368 6.264,1369 6.356,1370 0.193,1371 0.109,1372 6.356,1373 3.602,1374 5.863,1375 0.136,1376 0.07,1377 5.863,1378 2.993,1379 3.691,1380 0.082,1381 0.035,1382 3.691,1383 1.597,1384 0.411,1385 62.427,1386 0.268,1387 21.16,1388 0.686,1389 104,1390 279.266,1391 115.936,1392 258.945,1393 345.97,1394 244,1395 115,1396 242.294,1397 126.912,1398 244.276,1399 350.98,1400 227,1401 4.483}
{0 CHEMBL1610049,1 1.612,2 8.621,3 4.637,4 21.505,5 112.587,6 7.784,7 0.355,8 4.055,9 4.157,10 3.694,11 3.615,12 5.19,13 3.575,14 4.597,15 4.754,16 4.034,17 3.985,18 5.664,19 3.922,20 4.828,21 5.023,22 4.094,23 4.087,24 5.901,25 4.012,26 4.892,27 5.079,28 4.29,29 4.171,30 6.053,31 4.13,32 4.995,33 5.149,34 4.466,35 4.301,36 6.393,37 4.266,38 5.072,39 5.229,40 4.476,41 4.381,42 6.409,43 4.319,44 5.115,45 5.281,46 4.339,47 4.411,48 6.307,49 4.299,50 5.111,51 5.314,52 3.927,53 4.308,54 6.16,55 4.135,56 0.036,57 0.728,58 10.865,59 5.243,60 11.647,61 6.277,62 0.321,63 1.189,64 22.565,65 8.777,66 35.547,67 10.597,68 0.432,69 1.478,70 31.03,71 10.706,72 55.662,73 13.515,74 0.431,75 1.548,76 31.773,77 10.954,78 50.786,79 13.655,80 0.738,81 1.692,82 35.213,83 12.54,84 109.839,85 14.647,86 0.733,87 1.824,88 39.377,89 14.135,90 116.029,91 16.181,92 0.737,93 1.878,94 44.608,95 16.084,96 101.913,97 18.167,98 0.544,99 1.826,100 44.724,101 16.418,102 99.323,103 19.68,104 36,105 42,106 0.268,107 0.617,108 0.761,109 0.829,110 0.841,111 0.86,112 3.409,113 0.999,114 -3.49,115 -3.47,116 -3.32,120 41.5,122 4,125 2,128 2,141 1,142 1,143 5,145 3,152 1,153 1,159 2,174 6,176 1,177 6,180 1,182 2,185 6,188 2,189 8,192 1,194 2,197 1,200 1,201 7,206 2,209 1,213 3,214 11,217 1,219 3,222 6,226 2,227 10,230 1,232 2,235 12,239 1,240 7,243 1,245 1,247 15,252 5,260 11,264 4,271 6,274 1442,275 19.87,276 19.87,277 19.87,278 19.87,279 19.87,280 18.221,281 24.769,282 11.764,283 20.519,284 15.098,285 15.098,286 15.098,287 15.098,288 15.098,289 12.352,290 33.024,291 5.302,292 15.946,293 4.116,294 2.021,295 1.153,296 0.745,297 0.67,298 0.557,299 4.084,306 1,307 1,308 520,309 4.301,312 188.033,313 110.207,320 1.151,321 36.148,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 63,333 250,334 4.506,335 4.01,336 7.055,337 4.244,338 3.293,339 4.014,340 2.317,341 12.141,342 3.127,343 4.157,344 3.664,345 6.277,346 3.793,347 2.834,348 3.653,349 2.073,350 9.358,351 2.716,352 3.882,353 3.137,354 5.615,355 3.518,356 2.55,357 3.181,358 0.86,359 7.329,360 2.466,361 3.683,362 2.832,363 5.437,364 3.366,365 2.407,366 2.887,367 0.86,368 7.072,369 2.315,370 3.542,371 2.675,372 5.215,373 3.117,374 2.189,375 2.813,376 0.826,377 6.41,378 2.019,379 3.374,380 2.535,381 4.963,382 3.02,383 2.043,384 2.413,385 0.239,386 5.515,387 1.957,388 3.123,389 2.177,390 4.49,391 2.533,392 1.556,393 2.073,394 0.031,395 4.122,396 1.507,397 2.744,398 1.594,399 4.018,400 2.271,401 1.306,402 1.684,404 3.114,405 1.254,406 2.645,407 1.318,408 3.478,409 2.053,410 1.062,411 1.194,413 2.364,414 1.042,415 2.188,416 1.255,417 3.355,418 1.768,419 0.823,420 1.106,422 1.93,423 0.769,424 2.118,425 1.185,426 3.056,427 1.618,428 0.702,429 0.927,431 1.372,432 0.618,433 2.069,434 0.961,435 3,436 1.583,437 0.618,438 0.819,440 1.372,441 0.612,442 1.857,443 0.91,444 3,445 1.463,446 0.618,447 0.618,449 1.252,450 0.507,451 1.618,452 0.618,453 2.904,454 1.233,455 0.331,456 0.397,458 0.455,459 0.281,460 1.457,461 0.618,462 2.638,463 1.185,464 0.209,465 0.357,467 0.313,468 0.21,469 13.967,470 0.482,471 0.589,472 0.02,473 34.75,474 1.198,475 16.5,476 0.569,477 18.25,478 0.629,479 27.614,480 0.952,481 31.633,482 0.597,483 29.35,484 1.012,485 6.771,486 0.233,487 7.313,488 0.252,489 0.155,491 0.315,496 0.76,497 1.271,498 0.753,499 1.04,500 0.576,501 0.972,502 0.989,503 1.098,504 0.913,505 0.938,506 0.588,507 0.915,508 0.928,509 1.119,510 0.985,511 1.041,512 0.786,513 0.968,514 1.116,515 1.009,516 0.736,517 0.843,518 1.189,519 0.777,520 1.162,521 1.02,522 0.864,523 0.922,524 1.439,525 0.839,526 1.272,527 0.992,528 1.048,529 0.998,530 1.436,531 0.938,532 1.301,533 1.035,534 1.379,535 1.202,536 1.304,537 1.139,538 1.132,539 1.193,540 1.494,541 1.381,542 1.355,543 1.382,544 5,545 0.045,546 2.889,547 2.188,548 2.118,549 1.583,550 0.985,551 0.537,552 0.238,553 0.125,554 8495,555 23863,556 2.013,557 45.3,558 4,559 13,560 2,562 1,564 4,567 1.734,568 1.871,569 3.034,570 -0.336,575 85.433,576 1.612,577 3.707,578 4.575,579 4.982,580 5.058,581 5.171,582 2.444,583 4.444,584 4.829,585 3.198,586 1298.46,587 8.493,588 17206.6,590 1,593 303.58,594 1.453,595 4.78,596 0.161,597 0.006,598 0.069,599 0.05,600 0.04,601 0.026,602 0.016,603 0.01,604 0.007,605 0.007,606 0.392,607 0.33,608 1,609 1.111,610 142.659,611 -0.029,612 -0.138,613 0.066,614 -0.033,615 -0.011,616 -0.007,617 -0.014,618 -0.016,619 0.033,620 0.057,621 0.053,622 0.038,623 0.026,624 -0.057,625 -0.006,626 -0.069,627 0.058,628 -0.013,629 -0.028,630 0.038,631 0.191,632 0.09,633 -0.047,634 0.161,635 0.141,636 0.04,637 0.131,638 0.061,639 0.161,640 0.084,641 -0.003,642 0.064,643 0.005,644 0.03,645 0.043,646 0.001,647 -0.13,648 -0.008,649 -0.233,650 -0.092,651 -0.128,652 -0.161,653 -0.194,654 -0.225,655 -0.428,656 -0.317,657 -0.264,658 -0.377,659 2.295,660 6.348,661 0.552,662 22.523,663 1.006,664 1.119,665 2.265,666 5.13,667 0.676,668 3.466,669 3.761,670 4.06,671 4.344,672 4.5,673 4.615,674 4.654,675 4.595,676 4.554,677 4.382,678 5.511,679 0.639,680 412.55,681 3.466,682 4.99,683 5.844,684 6.725,685 7.605,686 8.499,687 9.389,688 10.287,689 11.182,690 12.082,691 3.8,698 2,709 6,713 1,714 4,716 11,735 2,738 53,739 14,740 1,741 31,743 55,744 22,745 10,746 3,747 3,752 3,753 3,763 5,766 6,767 2,768 12,769 8,772 2,778 2,782 2,786 1,789 24,790 6,791 1,792 7,793 1,797 2,803 1,804 4,822 2,823 1,830 1,832 1,838 1,839 1,855 3,857 1,859 2,862 29,869 4,871 1,872 2,874 2,875 1,877 1,878 1,880 1,884 1,886 7.5,889 2,891 2,893 15.5,894 10.033,895 6.75,896 3.118,898 1.591,899 1.232,900 0.94,901 7.434,902 8.444,903 3.726,904 4.201,905 4.724,906 5.206,907 5.586,908 5.853,909 6.078,910 6.219,911 6.389,912 6.35,913 0.833,914 44,915 10.796,917 4.574,918 7.862,919 20.338,921 16.41,924 2.362,925 68.5,927 1,928 1,929 270.735,930 182.575,931 21.135,933 72.29,935 31.278,936 151.298,937 343.025,938 21.135,939 21.766,940 31.273,941 55.03,942 59.699,943 35.243,944 65.252,945 278.471,947 270.735,948 172.433,949 72.29,950 31.278,952 223.651,953 119.374,956 31.273,957 124.129,958 17.031,959 31.278,960 270.735,961 93.425,962 182.575,965 270.735,966 65.427,967 79.921,968 35.041,969 95.611,970 270.735,971 93.425,972 182.575,973 0.564,974 0.35,975 0.2,976 0.107,977 18,978 9,979 0.127,980 7,982 1,983 3.765,984 261.456,986 16,987 136.881,989 1,993 21.513,994 10.021,995 4.869,997 93.425,998 10.596,1002 1.396,1003 2.046,1005 18.011,1006 546.735,1007 40.5,1013 26.224,1017 -0.885,1020 53.309,1021 59.321,1022 0.281,1023 0.647,1024 0.799,1025 0.87,1026 0.883,1027 0.903,1028 4.968,1029 1.306,1030 5.82,1031 4.122,1032 4.443,1033 4.887,1034 3.061,1035 6.653,1036 4.346,1037 6.147,1038 1.062,1039 7.391,1040 3.114,1041 4.007,1042 4.575,1043 2.568,1044 7.65,1045 3.878,1046 7.438,1047 0.823,1048 9.068,1049 2.364,1050 6.043,1051 6.945,1052 4.189,1053 10.796,1054 5.855,1055 8.765,1056 0.702,1057 10.811,1058 1.93,1059 6.494,1060 7.499,1061 4.416,1062 12.682,1063 6.257,1064 10.124,1065 0.618,1066 12.598,1067 1.372,1068 7.949,1069 9.288,1070 5.618,1071 15.367,1072 7.667,1073 11.506,1074 0.618,1075 14.417,1076 1.372,1077 8.792,1078 10.233,1079 6.136,1080 17.616,1081 8.454,1082 12.905,1083 0.331,1084 16.259,1085 1.252,1086 10.046,1087 11.793,1088 7.152,1089 20.162,1090 9.663,1091 3.293,1092 0.209,1093 18.12,1094 0.455,1095 11.068,1096 12.935,1097 7.81,1098 22.558,1099 10.628,1100 2.834,1101 12.141,1102 19.996,1103 0.313,1104 12.255,1105 14.396,1106 8.734,1107 25.063,1108 11.768,1109 2.55,1110 9.358,1111 21.884,1112 4.014,1113 13.359,1114 15.641,1115 9.466,1116 27.517,1117 12.815,1118 2.407,1119 7.329,1120 23.783,1121 3.653,1122 14.53,1123 17.057,1124 10.342,1125 30.011,1126 13.936,1127 2.189,1128 7.072,1129 25.69,1130 3.181,1131 15.673,1132 18.358,1133 11.117,1134 32.489,1135 15.023,1136 2.043,1137 6.41,1138 27.604,1139 2.887,1140 16.844,1141 19.753,1142 11.969,1143 34.982,1144 16.141,1145 1.556,1146 5.515,1147 29.524,1148 2.813,1149 18.006,1150 21.086,1151 12.767,1152 37.469,1153 17.249,1154 8485,1155 14386,1156 20.285,1157 35.853,1158 46.73,1159 46.854,1160 47.852,1161 44.985,1162 45.078,1163 56.273,1164 14.413,1165 128.24,1166 42.796,1167 5.49,1168 6.01,1169 6.67,1170 5.331,1171 5.293,1172 7.014,1173 4.019,1174 19.59,1175 5.127,1176 15.109,1177 1.507,1178 1.511,1179 1.544,1180 1.451,1181 1.454,1182 1.815,1183 0.465,1184 4.137,1185 1.381,1186 4.004,1187 4.029,1188 4.232,1189 3.954,1190 7.435,1191 3.915,1192 3.873,1193 3.918,1194 3.9,1195 3.813,1196 7.425,1197 3.787,1198 3.823,1199 3.839,1200 3.744,1201 3.744,1202 5.394,1203 3.726,1204 3.556,1205 3.573,1206 3.541,1207 3.414,1208 4.915,1209 3.432,1210 3.374,1211 3.402,1212 3.325,1213 3.187,1214 4.66,1215 3.209,1216 3.318,1217 3.366,1218 3.172,1219 3.022,1220 4.601,1221 3.047,1222 3.148,1223 3.236,1224 2.913,1225 2.869,1226 4.322,1227 2.86,1228 2.975,1229 3.053,1230 2.84,1231 2.792,1232 4.157,1233 2.795,1234 0.145,1235 0.129,1236 0.228,1237 0.137,1238 0.106,1239 4.506,1240 0.129,1241 4.01,1242 0.075,1243 7.055,1244 0.392,1245 4.244,1246 0.101,1247 3.293,1248 4.014,1249 2.317,1250 12.141,1251 3.127,1252 1.895,1253 1.878,1254 1.974,1255 2.026,1256 1.217,1257 2.009,1258 1.685,1259 1.654,1260 1.86,1261 1.869,1262 1.211,1263 1.864,1264 1.577,1265 1.507,1266 1.855,1267 1.751,1268 1.118,1269 1.793,1270 1.552,1271 1.505,1272 1.713,1273 1.708,1274 0.935,1275 1.712,1276 1.442,1277 1.414,1278 1.593,1279 1.573,1280 0.651,1281 1.583,1282 1.36,1283 1.358,1284 1.567,1285 1.558,1286 0.586,1287 1.566,1288 1.236,1289 1.176,1290 1.526,1291 1.455,1292 0.557,1293 1.475,1294 1.131,1295 1.038,1296 1.424,1297 1.43,1298 0.31,1299 1.465,1300 4.143,1302 5.442,1303 3.045,1304 6.936,1305 5.13,1306 8.528,1307 6.969,1308 10.18,1310 3.033,1315 4.055,1317 3.096,1318 10.768,1320 -0.792,1321 1.317,1323 5.486,1325 2.159,1326 33.884,1327 85.433,1328 196.46,1329 242.46,1330 264.07,1331 268.07,1332 274.07,1333 72.988,1334 6.852,1335 67.87,1336 96.11,1337 16,1338 12.605,1339 3.907,1340 3.392,1341 51.577,1342 90,1343 99,1344 0.269,1345 213.98,1346 382.19,1347 513.87,1348 6554,1350 20.803,1351 0.717,1352 0.598,1353 21.156,1354 17.33,1355 14.083,1356 0.454,1357 0.333,1358 9.367,1359 13.002,1360 9.039,1361 7.533,1362 14.537,1363 10.322,1364 11.868,1365 0.283,1366 0.184,1367 12.451,1368 7.744,1369 10.279,1370 0.18,1371 0.104,1372 10.93,1373 5.933,1374 8.497,1375 0.112,1376 0.058,1377 9.207,1378 4.404,1379 6.186,1380 0.07,1381 0.027,1382 6.62,1383 2.376,1384 0.401,1385 93.334,1386 0.222,1387 26.607,1388 0.818,1389 146,1390 467.781,1391 183.603,1392 462.181,1393 617.56,1394 432,1395 172,1396 422.609,1397 206.252,1398 441.531,1399 643.37,1400 412,1401 6.16}
{0 CHEMBL1610429,1 1.473,2 7.842,3 2.279,4 5.195,5 66.142,6 8.395,7 0.524,8 3.59,9 3.649,10 3.246,11 3.091,12 4.814,13 3.127,14 4.098,15 4.196,16 3.627,17 3.439,18 5.419,19 3.478,20 4.255,21 4.37,22 3.619,23 3.499,24 5.485,25 3.52,26 4.21,27 4.327,28 3.492,29 3.443,30 5.533,31 3.426,32 4.16,33 4.35,34 3.197,35 3.31,36 5.263,37 3.243,38 3.937,39 4.12,40 3.152,41 3.112,42 5.108,43 3.075,44 3.87,45 4.041,46 3,47 2.9,48 5.103,49 2.905,50 3.691,51 3.865,52 2.755,53 2.641,54 5.01,55 2.628,56 0.14,57 0.383,58 5.127,59 3.082,60 12.064,61 3.043,62 0.399,63 0.611,64 10.637,65 4.938,66 41.841,67 5.093,68 0.582,69 0.694,70 13.727,71 5.597,72 35.886,73 5.611,74 0.541,75 0.676,76 12.35,77 5.53,78 40.989,79 5.889,80 0.528,81 0.641,82 14.361,83 5.398,84 50.842,85 6.458,86 0.328,87 0.521,88 10.707,89 4.398,90 19.422,91 5.483,92 0.372,93 0.455,94 10.695,95 3.737,96 36.509,97 4.145,98 0.487,99 0.365,100 9.52,101 2.996,102 42.381,103 3.396,104 11,105 30,106 0.278,107 0.669,108 0.771,109 0.832,110 0.844,111 0.857,112 3.011,113 0.841,114 -2.8,115 -2.82,116 -2.73,120 45.2,121 1,126 2,143 4,144 2,145 2,153 2,159 1,168 1,172 1,174 4,175 1,177 7,180 1,182 1,185 4,186 1,188 1,189 7,190 1,194 1,197 5,198 1,200 1,201 4,204 1,206 1,209 4,210 1,213 1,214 2,219 1,222 3,223 2,226 1,227 4,232 2,235 1,236 1,240 3,241 1,245 1,251 1,252 1,253 1,255 1,263 1,267 1,274 390,275 12.723,276 12.723,277 12.723,278 12.723,279 12.723,280 11.271,281 12.698,282 7.398,283 12.997,284 10.361,285 10.361,286 10.361,287 10.361,288 10.361,289 8.059,290 13.377,291 3.499,292 10.798,293 3.482,294 1.408,295 0.863,296 0.54,297 0.476,298 0.411,299 3.688,306 1,307 1,308 320,309 2.449,312 46.389,313 90.004,317 76.585,320 1.235,321 25.805,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43,333 149,334 4.479,335 3.617,336 6.481,337 4.102,338 3.107,339 4.188,340 1.437,341 10.096,342 3.093,343 4.242,344 3.261,345 6.216,346 3.845,347 2.888,348 3.855,349 0.86,350 9.253,351 2.768,352 3.786,353 2.884,354 5.902,355 3.451,356 2.475,357 3.135,358 0.86,359 8.128,360 2.394,361 3.248,362 2.409,363 4.731,364 2.836,365 1.836,366 2.437,368 4.859,369 1.817,370 2.923,371 2.179,372 4.447,373 2.531,374 1.618,375 2.062,377 4.391,378 1.47,379 2.729,380 1.848,381 4.211,382 2.404,383 1.472,384 1.805,386 3.64,387 1.362,388 2.447,389 1.352,390 3.609,391 2.185,392 1.208,393 1.442,395 2.918,396 1.172,397 2.302,398 1.165,399 3.541,400 1.796,401 0.795,402 1.144,404 2.065,405 0.785,406 1.867,407 0.964,408 3.162,409 1.543,410 0.64,411 0.766,413 1.518,414 0.572,415 0.877,416 0.412,417 2.621,418 0.54,419 -0.407,420 -0.487,422 -1.01,423 -0.377,424 0.686,425 -0.005,426 2.209,427 0.348,428 -0.618,429 -0.729,431 -1.586,432 -0.565,433 0.647,434 -0.277,435 2,436 0.31,437 -0.653,438 -0.767,440 -1.617,441 -0.645,442 0.402,443 -0.334,444 2,445 -0.004,446 -1,447 -1.228,449 -2,450 -0.958,451 0.167,452 -0.878,453 1.784,454 -0.105,455 -1.053,456 -1.375,458 -2.871,459 -1.009,460 0.099,461 -1.093,462 1.535,463 -0.257,464 -1.23,465 -1.609,467 -3.775,468 -1.196,469 8.667,470 0.456,471 0.524,472 0.028,473 25,474 1.316,475 12.5,476 0.658,477 12.5,478 0.658,479 12.516,480 0.659,481 20.733,482 0.669,483 16.838,484 0.886,485 5.197,486 0.274,487 3.95,488 0.208,489 0.135,491 0.404,496 0.865,497 1.127,498 0.679,499 1.087,500 0.764,501 0.881,502 0.963,503 0.997,504 0.732,505 0.961,506 0.503,507 0.812,508 1.231,509 0.917,510 1.029,511 0.902,512 0.828,513 0.896,514 0.93,515 1.228,516 1.148,517 1.246,518 0.938,519 1.268,520 0.876,521 0.895,522 1.066,523 0.923,524 1.104,525 1.029,526 0.602,527 1.156,528 0.786,529 1.158,530 0.585,531 1.066,532 1.279,533 1.067,534 1.069,535 1.046,536 1.436,537 0.998,538 1.148,539 0.868,540 1.142,541 0.88,542 1.168,543 0.978,544 4,545 0.025,546 2.444,547 1.257,548 1.216,549 0.535,550 0.244,551 0.286,552 0.155,553 0.06,554 3190,555 10719,556 2.081,557 38.7,559 8,562 1,563 3,567 1.602,568 1.932,569 3.011,570 -0.249,572 1,573 1,574 1,575 45.648,576 1.473,577 3.546,578 4.091,579 4.414,580 4.478,581 4.543,582 2.484,583 3.932,584 4.221,585 3.097,586 529.509,587 7.186,588 5087.8,590 1,592 1,593 153.58,594 1.462,595 4.171,596 0.19,597 0.012,598 0.081,599 0.043,600 0.051,601 0.03,602 0.014,603 0.02,604 0.015,605 0.01,606 0.468,607 0.67,608 1,609 0.868,610 81.563,611 -0.097,612 -0.074,613 0.033,614 -0.055,615 -0.119,616 0.014,617 -0.028,618 0.015,619 0.115,620 0.034,621 0.17,622 0.104,623 -0.172,624 0.073,625 -0.116,626 0.069,627 -0.081,628 0.014,629 0.011,630 -0.24,631 -0.269,632 -0.27,633 -0.003,634 -0.345,635 -0.032,636 0.064,637 -0.076,638 0.053,639 -0.145,640 -0.008,641 0.152,642 -0.193,643 0.175,644 -0.174,645 0.126,646 -0.035,647 -0.203,648 -0.128,649 -0.028,650 -0.106,651 -0.191,652 -0.029,653 0.074,654 0.058,655 -0.041,656 0.041,657 0.061,658 -0.021,659 2.662,660 3.994,661 0.789,662 12.609,663 1.03,664 1.114,665 1.574,666 2.478,667 0.672,668 3.091,669 3.434,670 3.714,671 3.97,672 4.159,673 4.22,674 4.29,675 4.394,676 4.522,677 4.369,678 4.751,679 0.669,680 260.26,681 3.091,682 4.635,683 5.493,684 6.378,685 7.255,686 8.144,687 9.026,688 9.916,689 10.801,690 11.691,709 4,712 1,714 6,716 11,725 1,735 2,738 31,739 12,740 1,741 21,743 33,744 14,745 10,746 3,747 3,748 1,752 3,753 4,759 1,768 11,769 3,772 1,778 1,782 1,785 1,786 1,788 1,789 12,790 5,791 1,792 5,803 0.667,804 5,822 1,823 2,827 1,853 1,855 2,859 1,862 19,868 1,869 2,872 2,886 16.1,888 1,889 1,891 3,893 9.833,894 5.95,895 4.111,896 1.786,898 2.194,899 1.329,900 0.949,901 3.046,902 8.853,903 3.35,904 3.966,905 4.555,906 5.13,907 5.58,908 5.917,909 6.255,910 6.609,911 6.974,912 7.05,913 1,914 29,915 7.008,917 3.036,918 8.035,919 12.98,921 10.539,924 2.535,925 48.167,929 129.482,930 84.58,933 99.335,936 84.58,937 228.818,939 8.825,940 9.185,941 37.905,942 68.738,943 48.365,944 10.898,945 129.482,947 129.482,948 84.58,949 99.335,952 129.482,953 99.335,956 18.01,957 66.571,960 129.482,961 99.335,962 84.58,965 129.482,966 37.85,967 46.73,969 99.335,970 129.482,971 99.335,972 84.58,973 0.59,974 0.347,975 0.187,976 0.097,977 16,978 7,979 0.061,980 2,981 1,982 1.133,983 3.13,984 142.564,985 0.133,986 15,987 80.711,993 12.265,994 4.719,995 2.246,997 99.335,998 6.918,1001 5.476,1003 3.167,1005 42.683,1006 313.398,1007 27.5,1013 10.994,1017 -0.995,1020 31.938,1021 34.538,1022 0.297,1023 0.716,1024 0.826,1025 0.891,1026 0.904,1027 0.917,1028 4.593,1029 0.795,1030 5.493,1031 2.918,1032 4.111,1033 4.649,1034 2.09,1035 6.319,1036 4.044,1037 5.812,1038 0.64,1039 7.066,1040 2.065,1041 3.761,1042 4.543,1044 7.239,1045 3.698,1046 7.131,1047 -0.407,1048 8.737,1049 1.518,1050 5.72,1051 6.858,1052 2.46,1053 10.325,1054 5.613,1055 8.488,1056 -0.618,1057 10.465,1058 -1.01,1059 6.176,1060 7.568,1062 12.047,1063 6.076,1064 9.876,1065 -0.653,1066 12.228,1067 -1.586,1068 7.627,1069 9.367,1070 3.006,1071 14.63,1072 7.494,1073 11.286,1074 -1,1075 14.013,1076 -1.617,1077 8.441,1078 10.441,1080 16.669,1081 8.311,1082 12.713,1083 -1.053,1084 15.815,1085 -2,1086 9.688,1087 12.028,1088 3.65,1089 19.069,1090 9.536,1091 3.107,1092 -1.23,1093 17.627,1094 -2.871,1095 10.665,1096 13.273,1098 21.243,1099 10.512,1100 2.888,1101 10.096,1102 19.448,1103 -3.775,1104 11.829,1105 14.765,1106 4.341,1107 23.572,1108 11.661,1109 2.475,1110 9.253,1111 21.275,1112 4.188,1113 12.879,1114 16.094,1116 25.807,1117 12.709,1118 1.836,1119 8.128,1120 23.106,1121 3.855,1122 14.01,1123 17.544,1124 5.052,1125 28.11,1126 13.831,1127 1.618,1128 4.859,1129 24.941,1130 3.135,1131 15.094,1132 18.915,1134 30.374,1135 14.912,1136 1.472,1137 4.391,1138 26.778,1139 2.437,1140 16.213,1141 20.346,1142 5.77,1143 32.669,1144 16.026,1145 1.208,1146 3.64,1147 28.618,1148 2.062,1149 17.314,1150 21.739,1152 34.948,1153 17.124,1154 3135,1155 5838,1156 13.929,1157 20.841,1158 32.474,1159 33.152,1160 33.171,1161 32.072,1162 32.075,1163 41.665,1164 6.313,1165 93.734,1166 30.868,1167 5.423,1168 5.617,1169 6.168,1170 5.242,1171 5.107,1172 7.188,1173 2.873,1174 16.804,1175 5.093,1176 9.014,1177 1.546,1178 1.579,1179 1.58,1180 1.527,1181 1.527,1182 1.984,1183 0.301,1184 4.464,1185 1.47,1186 4.04,1187 4.042,1188 4.007,1189 3.934,1190 7.475,1191 3.948,1192 3.825,1193 3.828,1194 3.781,1195 3.683,1196 6.351,1197 3.704,1198 3.44,1199 3.485,1200 3.318,1201 3.249,1202 5.058,1203 3.255,1204 3.203,1205 3.212,1206 3.133,1207 2.901,1208 4.886,1209 2.92,1210 3.042,1211 3.096,1212 2.854,1213 2.85,1214 4.27,1215 2.872,1216 2.879,1217 2.92,1218 2.744,1219 2.705,1220 4.206,1221 2.706,1222 2.624,1223 2.665,1224 2.488,1225 2.443,1226 3.715,1227 2.457,1228 2.461,1229 2.542,1230 2.245,1231 2.092,1232 3.498,1233 2.111,1234 0.213,1235 0.172,1236 0.309,1237 0.195,1238 0.148,1239 4.479,1240 0.199,1241 3.617,1242 0.068,1243 6.481,1244 0.481,1245 4.102,1246 0.147,1247 3.107,1248 4.188,1249 1.437,1250 10.096,1251 3.093,1252 1.909,1253 1.899,1254 1.995,1255 2.027,1256 1.13,1257 2.014,1258 1.616,1259 1.602,1260 1.768,1261 1.781,1262 0.943,1263 1.766,1264 1.458,1265 1.428,1266 1.697,1267 1.695,1268 0.866,1269 1.69,1270 1.26,1271 1.22,1272 1.473,1273 1.489,1274 0.546,1275 1.479,1276 0.947,1277 0.918,1278 1.156,1279 1.261,1280 0.194,1281 1.226,1282 0.839,1283 0.796,1284 1.065,1285 1.069,1286 0.086,1287 1.073,1288 0.564,1289 0.53,1290 0.905,1291 0.874,1292 0.055,1293 0.857,1294 0.426,1295 0.373,1296 0.798,1297 0.822,1299 0.837,1300 3.761,1302 5.094,1303 2.398,1304 6.621,1305 4.727,1306 8.235,1307 6.823,1308 9.892,1310 1.63,1314 9.013,1315 1.045,1318 10.919,1326 20.735,1327 45.648,1328 109.929,1329 126.825,1330 136.825,1331 138.825,1332 140.825,1333 29.031,1334 6.659,1335 68.9,1336 68.9,1337 17,1338 12.22,1339 3.7,1340 2.907,1341 27.829,1342 54,1343 45,1344 0.262,1345 125.3,1346 219.99,1347 297.492,1348 5881,1350 13.405,1351 0.706,1352 0.542,1353 13.405,1354 10.304,1355 9.148,1356 0.436,1357 0.28,1358 5.763,1359 8.618,1360 5.644,1361 4.622,1362 9.148,1363 5.887,1364 8.494,1365 0.283,1366 0.141,1367 8.494,1368 4.244,1369 7.084,1370 0.177,1371 0.074,1372 7.084,1373 2.975,1374 5.982,1375 0.115,1376 0.039,1377 5.982,1378 2.033,1379 4.59,1380 0.073,1381 0.021,1382 4.59,1383 1.299,1384 0.399,1385 58.675,1386 0.268,1387 18.772,1388 0.752,1389 102,1390 381.092,1391 117.722,1392 347.973,1393 468.92,1394 326,1395 121,1396 341.848,1397 136.171,1398 336.205,1399 496.63,1400 317,1401 6.506}
{0 CHEMBL1610875,1 1.724,2 8.682,3 4.193,4 17.581,5 88.181,6 10.006,7 0.708,8 3.708,9 3.804,10 3.531,11 3.277,12 4.891,13 3.27,14 4.182,15 4.325,16 3.921,17 3.625,18 5.322,19 3.605,20 4.298,21 4.433,22 4.004,23 3.748,24 5.433,25 3.704,26 4.372,27 4.542,28 3.915,29 3.717,30 5.465,31 3.646,32 4.412,33 4.633,34 4.016,35 3.667,36 5.445,37 3.584,38 4.305,39 4.502,40 3.764,41 3.593,42 5.317,43 3.506,44 4.187,45 4.375,46 3.698,47 3.518,48 5.255,49 3.416,50 4.156,51 4.393,52 3.74,53 3.375,54 5.111,55 3.232,56 0.057,57 0.507,58 3.874,59 3.043,60 5.645,61 3.405,62 0.281,63 0.782,64 11.218,65 5.166,66 19.794,67 5.505,68 0.248,69 0.889,70 18.237,71 6.091,72 16.193,73 6.53,74 0.356,75 0.956,76 16.228,77 6.341,78 22.778,79 7.158,80 0.393,81 0.951,82 21.696,83 6.671,84 27.884,85 8.555,86 0.328,87 0.811,88 20.4,89 6.662,90 24.738,91 7.437,92 0.301,93 0.745,94 16.343,95 5.731,96 22.325,97 6.623,98 0.245,99 0.67,100 23.436,101 6.578,102 20.99,103 7.87,104 14,105 33,106 0.311,107 0.639,108 0.758,109 0.846,110 0.856,111 0.886,112 3.147,113 0.925,114 -4.72,115 -4.63,116 -4.36,118 1,120 44.4,125 2,143 6,144 1,145 4,147 1,148 1,149 1,174 3,176 1,177 6,180 1,182 2,185 5,189 5,192 1,194 3,197 5,200 1,201 3,204 1,206 1,209 1,213 1,214 6,217 1,219 2,222 3,227 2,235 3,239 2,240 4,247 4,252 3,260 4,263 1,264 1,274 596,275 15.118,276 15.118,277 15.118,278 15.118,279 15.118,280 13.083,281 17.989,282 8.851,283 15.816,284 11.724,285 11.724,286 11.724,287 11.724,288 11.724,289 8.591,290 26.054,291 4.037,292 12.714,293 3.446,294 1.63,295 0.973,296 0.486,297 0.431,298 0.264,299 3.83,306 1,307 1,308 407,309 2.55,313 169.993,317 89.121,320 1.256,321 15.457,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 47.25,333 191,334 4.53,335 3.229,336 6.541,337 4.049,338 3.087,339 4.465,340 0.86,341 10.355,342 2.968,343 4.257,344 3.083,345 6.168,346 3.829,347 2.873,348 3.91,349 0.86,350 9.157,351 2.742,352 3.664,353 2.74,354 5.288,355 3.227,356 2.312,357 3.087,358 0.4,359 6.692,360 2.114,361 3.535,362 2.627,363 5.149,364 3.07,365 2.184,366 2.887,368 6.145,369 1.914,370 3.384,371 2.198,372 4.958,373 2.891,374 1.975,375 2.736,377 5.778,378 1.71,379 2.914,380 1.806,381 4.377,382 2.487,383 1.543,384 2.102,386 4.128,387 1.448,388 2.886,389 1.448,390 4.07,391 2.333,392 1.412,393 2.033,395 3.453,396 1.282,397 2.398,398 1.156,399 3.424,400 1.915,401 0.958,402 1.354,404 2.277,405 0.907,406 1.864,407 0.97,408 3.101,409 1.53,410 0.632,411 0.752,413 1.241,414 0.559,415 1.592,416 0.938,417 2.777,418 1.32,419 0.464,420 0.512,422 0.673,423 0.394,424 1.408,425 0.498,426 2.701,427 0.998,428 0.121,429 0.148,431 0.243,432 0.097,433 1.053,434 0.215,435 2.437,436 0.614,437 -0.242,438 -0.298,440 -0.491,441 -0.166,442 0.903,443 -0.269,444 2.278,445 0.397,446 -0.523,447 -0.702,449 -1.203,450 -0.444,451 0.635,452 -0.465,453 2.181,454 0.188,455 -0.754,456 -1.039,458 -2.092,459 -0.657,460 0.575,461 -0.653,462 2.124,463 0.12,464 -0.835,465 -1.087,467 -2.201,468 -0.775,469 11.2,470 0.509,471 0.465,472 0.021,473 32,474 1.455,475 17.5,476 0.795,477 14.5,478 0.659,479 15.615,480 0.71,481 22.4,482 0.622,483 20.536,484 0.933,485 6.359,486 0.289,487 4.349,488 0.198,489 0.208,491 0.313,496 0.897,497 1.293,498 0.478,499 0.864,500 0.848,501 0.832,502 1.331,503 0.839,504 0.587,505 0.61,506 1.088,507 0.653,508 1.104,509 1.263,510 1.058,511 1.056,512 0.964,513 1.002,514 1,515 1.206,516 0.795,517 0.999,518 1.096,519 1.106,520 0.656,521 0.979,522 0.631,523 0.889,524 0.713,525 0.907,526 1.347,527 0.886,528 0.812,529 0.82,530 1.219,531 0.894,532 0.965,533 0.915,534 0.903,535 0.968,536 1.05,537 1.076,538 0.746,539 0.981,540 1.039,541 1.085,542 0.751,543 1.016,544 4.5,545 0.049,546 2.444,547 1.188,548 1.52,549 0.646,550 0.366,551 0.323,552 0.209,553 0.107,554 4628,555 15078,556 2.07,557 38.9,559 12,561 1,562 1,567 1.648,568 1.941,569 3.125,570 -0.265,572 1,575 62.059,576 1.724,577 3.54,578 4.197,579 4.684,580 4.739,581 4.906,582 2.517,583 4.061,584 4.433,585 3.227,586 745.393,587 7.63,588 8065.3,590 1,591 1,592 1,593 186.117,594 1.395,595 4.392,596 0.188,597 0.01,598 0.074,599 0.034,600 0.051,601 0.023,602 0.015,603 0.015,604 0.012,605 0.011,606 0.431,607 0.33,608 1,609 0.909,610 100.031,611 -0.07,612 -0.209,613 0.003,614 -0.079,615 -0.093,616 -0.023,617 -0.161,618 0.205,619 0.031,620 0.232,621 -0.058,622 0.201,623 -0.119,624 -0.208,625 -0.108,626 -0.131,627 -0.066,628 -0.131,629 -0.026,630 -0.154,631 -0.067,632 -0.137,633 -0.167,634 -0.224,635 0.193,636 0.02,637 0.109,638 0.008,639 0.212,640 0.067,641 -0.22,642 0.049,643 -0.012,644 0.117,645 -0.155,646 0.076,647 -0.002,648 0.074,649 -0.048,650 -0.037,651 -0.077,652 -0.128,653 0.128,654 -0.117,655 0.089,656 -0.021,657 0.213,658 0.074,659 0.985,660 1.901,661 0.727,662 14.909,663 1.014,664 1.118,665 3.489,666 12.174,667 0.718,668 3.219,669 3.526,670 3.807,671 4.06,672 4.331,673 4.331,674 4.394,675 4.466,676 4.554,677 4.477,678 5.209,679 0.686,680 360.23,681 3.219,682 4.745,683 5.595,684 6.469,685 7.339,686 8.218,687 9.094,688 9.974,689 10.852,690 11.733,691 8.3,699 1,701 2,708 2,709 7,710 2,714 5,716 17,729 1,735 2,737 1,738 36,739 17,740 2,741 24,742 1,743 38,744 16,745 14,746 6,747 6,752 3,753 4,768 14,769 2,786 1,789 14,790 5,791 1,792 6,793 1,797 3,803 0.667,804 2,817 1,823 3,827 1,855 2,858 1,859 2,862 22,871 1,872 2,885 1,886 5.6,891 2,893 11.333,894 7.21,895 5,896 1.887,898 3.468,899 1.5,900 0.991,901 4.455,902 10.404,903 3.512,904 4.159,905 4.79,906 5.399,907 6.011,908 6.246,909 6.606,910 7.003,911 7.432,912 7.528,913 0.833,914 35,915 8.035,917 3.281,918 7.678,919 15.245,921 11.924,924 2.178,925 47.917,929 153.024,930 110.586,931 97.536,933 22,936 156.54,937 175.024,938 51.582,939 21.766,941 56.857,942 45.342,943 69.645,944 2.328,945 141.253,946 45.954,947 153.024,948 162.168,949 22,951 45.954,952 153.024,953 22,956 28.773,957 99.823,958 33.571,959 45.954,960 153.024,961 73.582,962 156.54,965 153.024,966 23.344,967 87.242,968 63.965,969 55.571,970 153.024,971 73.582,972 156.54,973 0.572,974 0.347,975 0.19,976 0.112,977 16,978 7,979 0.105,980 4,981 1,982 1.125,983 3.377,984 173.114,985 0.125,986 16,987 98.107,993 15.067,994 6.505,995 3.182,996 1.794,997 73.582,998 12.988,999 8.603,1003 3.913,1005 18.011,1006 383.146,1007 32.5,1020 36.491,1021 40.247,1022 0.333,1023 0.685,1024 0.812,1025 0.906,1026 0.917,1027 0.949,1028 4.721,1029 0.958,1030 5.572,1031 3.453,1032 4.205,1033 4.844,1034 1.454,1035 6.375,1036 4.061,1037 5.941,1038 0.632,1039 7.125,1040 2.277,1041 3.761,1042 4.691,1044 7.261,1045 3.528,1046 7.257,1047 0.464,1048 8.776,1049 1.241,1050 5.79,1051 7.129,1052 1.175,1053 10.342,1054 5.552,1055 8.611,1056 0.121,1057 10.483,1058 0.673,1059 6.155,1060 7.791,1062 12.041,1063 5.851,1064 9.995,1065 -0.242,1066 12.227,1067 0.243,1068 7.644,1069 9.698,1070 0.966,1071 14.639,1072 7.334,1073 11.401,1074 -0.523,1075 13.996,1076 -0.491,1077 8.395,1078 10.764,1080 16.687,1081 8.034,1082 12.823,1083 -0.754,1084 15.784,1085 -1.203,1086 9.66,1087 12.438,1088 0.788,1089 19.112,1090 9.284,1091 3.087,1092 -0.835,1093 17.587,1094 -2.092,1095 10.599,1096 13.712,1098 21.312,1099 10.179,1100 2.873,1101 10.355,1102 19.401,1103 -2.201,1104 11.769,1105 15.28,1106 0.634,1107 23.67,1108 11.326,1109 2.312,1110 9.157,1111 21.223,1112 4.465,1113 12.799,1114 16.659,1116 25.937,1117 12.314,1118 2.184,1119 6.692,1120 23.054,1121 3.91,1122 13.931,1123 18.179,1124 0.504,1125 28.272,1126 13.416,1127 1.975,1128 6.145,1129 24.891,1130 3.087,1131 15.003,1132 19.612,1134 30.569,1135 14.448,1136 1.543,1137 5.778,1138 26.732,1139 2.887,1140 16.12,1141 21.111,1142 0.395,1143 32.896,1144 15.532,1145 1.412,1146 4.128,1147 28.578,1148 2.736,1149 17.213,1150 22.571,1152 35.208,1153 16.585,1154 4568,1155 8356,1156 16.008,1157 25.847,1158 35.073,1159 36.145,1160 36.706,1161 35.226,1162 35.122,1163 47.971,1164 4.24,1165 100.287,1166 32.27,1167 5.309,1168 5.229,1169 6.099,1170 5.125,1171 5.087,1172 7.465,1173 1.72,1174 17.233,1175 4.968,1176 10.227,1177 1.461,1178 1.506,1179 1.529,1180 1.468,1181 1.463,1182 1.999,1183 0.177,1184 4.179,1185 1.345,1186 4.068,1187 4.099,1188 6.88,1189 3.99,1190 5.083,1191 3.992,1192 3.895,1193 3.912,1194 4.003,1195 3.81,1196 4.91,1197 3.815,1198 3.423,1199 3.473,1200 3.84,1201 3.296,1202 4.581,1203 3.288,1204 3.303,1205 3.355,1206 3.263,1207 3.018,1208 4.483,1209 3.04,1210 3.201,1211 3.277,1212 3.145,1213 2.944,1214 4.275,1215 2.948,1216 3.04,1217 3.114,1218 3.016,1219 2.879,1220 4.036,1221 2.868,1222 2.805,1223 2.877,1224 2.888,1225 2.66,1226 3.674,1227 2.639,1228 2.759,1229 2.835,1230 2.624,1231 2.61,1232 3.527,1233 2.588,1234 0.189,1235 0.135,1236 0.273,1237 0.169,1238 0.129,1239 4.53,1240 0.186,1241 3.229,1242 0.036,1243 6.541,1244 0.431,1245 4.049,1246 0.124,1247 3.087,1248 4.465,1249 0.86,1250 10.355,1251 2.968,1252 2.009,1253 1.985,1254 2.053,1255 2.115,1256 1.185,1257 2.103,1258 1.859,1259 1.842,1260 1.947,1261 1.971,1262 1.053,1263 1.964,1264 1.351,1265 1.304,1266 1.59,1267 1.57,1268 0.585,1269 1.571,1270 1.225,1271 1.161,1272 1.551,1273 1.527,1274 0.564,1275 1.532,1276 1.161,1277 1.08,1278 1.44,1279 1.452,1280 0.458,1281 1.475,1282 1.005,1283 0.945,1284 1.192,1285 1.221,1286 0.225,1287 1.22,1288 0.82,1289 0.751,1290 1.102,1291 1.004,1292 0.167,1293 1.041,1294 0.764,1295 0.694,1296 1.016,1297 0.971,1298 0.086,1299 1.002,1300 3.892,1302 5.198,1304 6.72,1306 8.34,1308 10.01,1309 3.474,1310 3.242,1317 3.292,1318 10.609,1326 24.68,1327 62.059,1328 127.446,1329 151.098,1330 168.608,1331 170.608,1332 176.608,1333 25.606,1334 6.936,1335 56.27,1336 56.27,1337 18,1338 12.269,1339 4.17,1340 3.248,1341 34.343,1342 69,1343 72,1344 0.251,1345 158.938,1346 264.32,1347 379.568,1348 8793,1349 2.8,1350 15.527,1351 0.706,1352 0.623,1353 16.527,1354 13.716,1355 10.707,1356 0.446,1357 0.308,1358 6.52,1359 9.63,1360 6.266,1361 5.236,1362 11.284,1363 7.396,1364 9.285,1365 0.281,1366 0.166,1367 10.101,1368 5.491,1369 8.021,1370 0.182,1371 0.085,1372 8.546,1373 3.752,1374 6.566,1375 0.115,1376 0.044,1377 7.005,1378 2.519,1379 5.682,1380 0.076,1381 0.024,1382 6.281,1383 1.812,1384 0.383,1385 76.161,1386 0.25,1387 21.382,1388 0.717,1389 114,1390 367.749,1391 191.234,1392 387.476,1393 522.41,1394 364,1395 134,1396 358.007,1397 173.962,1398 378.078,1399 547.98,1400 352,1401 6.451}
{0 CHEMBL1610938,1 1.549,2 10.208,3 3.119,4 9.729,5 86.369,6 7.984,7 0.577,8 3.831,9 3.914,10 3.453,11 3.332,12 5.024,13 3.349,14 4.346,15 4.482,16 3.802,17 3.664,18 5.538,19 3.68,20 4.461,21 4.608,22 3.744,23 3.703,24 5.719,25 3.681,26 4.545,27 4.707,28 3.736,29 3.754,30 5.74,31 3.71,32 4.619,33 4.828,34 3.693,35 3.712,36 5.833,37 3.666,38 4.559,39 4.752,40 3.586,41 3.682,42 5.727,43 3.622,44 4.453,45 4.67,46 3.469,47 3.516,48 5.644,49 3.448,50 4.195,51 4.383,52 3.348,53 3.286,54 5.442,55 3.267,56 0.089,57 0.538,58 7.288,59 3.888,60 7.37,61 4.371,62 0.382,63 0.855,64 14.995,65 6.02,66 30.574,67 7.061,68 0.714,69 0.937,70 17.73,71 6.478,72 51.087,73 7.616,74 0.379,75 1.01,76 18.864,77 7.8,78 41.347,79 9.509,80 0.68,81 1.022,82 23.787,83 8.126,84 85.304,85 10.241,86 0.664,87 0.947,88 22.088,89 7.872,90 68.336,91 9.519,92 0.543,93 0.856,94 20.221,95 7.129,96 50.648,97 9.247,98 0.515,99 0.648,100 15.463,101 5.199,102 52.057,103 6.293,104 17,105 36,106 0.271,107 0.62,108 0.771,109 0.837,110 0.88,111 0.88,112 3.228,113 0.864,114 -2.33,115 -2.36,116 -2.32,120 43.9,121 2,126 2,143 5,144 1,152 2,153 4,158 1,159 1,174 3,176 1,177 9,185 2,188 4,189 5,197 2,200 1,201 5,209 1,213 2,214 7,222 4,226 1,227 4,235 5,239 2,240 4,247 2,251 2,252 5,260 2,264 3,271 2,274 850,275 16.052,276 16.052,277 16.052,278 16.052,279 16.052,280 13.898,281 14.897,282 9.469,283 16.225,284 12.79,285 12.79,286 12.79,287 12.79,288 12.79,289 9.54,290 17.579,291 4.476,292 13.029,293 3.809,294 1.817,295 0.954,296 0.573,297 0.33,298 0.33,299 3.9,305 1,306 1,307 1,308 524,309 3.464,312 228.046,320 1.726,321 29.761,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 53.5,333 245,334 4.563,335 3.732,336 6.757,337 4.173,338 3.203,339 4.281,340 1.797,341 10.936,342 3.114,343 4.157,344 3.597,345 6.026,346 3.791,347 2.799,348 3.698,349 1.338,350 8.561,351 2.766,352 3.937,353 3.181,354 5.879,355 3.577,356 2.578,357 3.478,358 0.522,359 7.997,360 2.567,361 3.706,362 2.655,363 5.305,364 3.327,365 2.333,366 3.02,368 6.738,369 2.309,370 3.239,371 2.221,372 4.828,373 2.784,374 1.813,375 2.455,377 4.812,378 1.747,379 3.024,380 2.093,381 4.396,382 2.662,383 1.673,384 2.169,386 4.324,387 1.649,388 2.761,389 1.724,390 4.171,391 2.371,392 1.379,393 1.815,395 3.559,396 1.362,397 2.511,398 1.656,399 3.487,400 2.079,401 1.098,402 1.502,404 2.539,405 1.073,406 2.308,407 1.25,408 3.275,409 1.826,410 0.838,411 1.176,413 1.981,414 0.818,415 2.118,416 1.036,417 3,418 1.618,419 0.618,420 0.927,422 1.372,423 0.618,424 2.118,425 0.637,426 3,427 1.618,428 0.618,429 0.927,431 1.372,432 0.618,433 1.678,434 0.618,435 2.93,436 1.288,437 0.309,438 0.373,440 0.723,441 0.297,442 1.357,443 0.618,444 2.663,445 1.099,446 0.097,447 0.121,449 0.222,450 0.095,451 0.572,452 0.338,453 2.317,454 0.278,455 -0.706,456 -0.835,458 -1.842,459 -0.691,460 0.492,461 -0.362,462 2.155,463 0.214,464 -0.802,465 -0.961,467 -2.024,468 -0.809,469 11.067,470 0.461,471 0.613,472 0.026,473 30.75,474 1.281,475 15,476 0.625,477 15.75,478 0.656,479 17.952,480 0.748,481 26.133,482 0.637,483 22.705,484 0.946,485 6.608,486 0.275,487 4.95,488 0.206,489 0.151,491 0.352,496 0.765,497 1.356,498 0.692,499 1.199,500 0.568,501 0.978,502 0.954,503 1.131,504 0.77,505 0.964,506 0.618,507 0.839,508 0.971,509 0.947,510 1.117,511 0.946,512 0.937,513 1.03,514 0.901,515 1.366,516 1.066,517 1.355,518 1.157,519 1.277,520 1.021,521 0.813,522 0.94,523 0.861,524 1.024,525 0.871,526 1.174,527 0.869,528 1.098,529 0.904,530 1.176,531 0.972,532 0.866,533 0.98,534 0.913,535 1.01,536 1.002,537 0.988,538 1.178,539 0.826,540 0.944,541 0.821,542 1.57,543 0.826,544 4.5,545 0.086,546 3.111,547 2.014,548 1.255,549 0.66,550 0.519,551 0.322,552 0.199,553 0.129,554 6629,555 20492,556 2.04,557 41.5,559 9,560 2,563 6,567 1.667,568 1.895,569 3.332,570 -0.74,571 1,572 1,574 1,575 63.504,576 1.549,577 3.541,578 4.403,579 4.784,580 5.028,581 5.028,582 2.772,583 4.168,584 4.555,585 3.522,586 971.936,587 7.853,588 11631,589 1,590 1,592 1,593 219.66,594 1.459,595 4.507,596 0.173,597 0.007,598 0.086,599 0.063,600 0.04,601 0.022,602 0.019,603 0.014,604 0.009,605 0.008,606 0.443,607 0.33,608 1,609 0.622,610 115.079,611 -0.039,612 -0.24,613 0.062,614 -0.151,615 -0.043,616 -0.045,617 -0.013,618 -0.063,619 0.12,620 0.02,621 0.043,622 0.091,623 0.079,624 0.127,625 -0.192,626 0.006,627 0.035,628 -0.126,629 -0.042,630 -0.36,631 -0.156,632 -0.365,633 -0.064,634 -0.309,635 -0.014,636 0.14,637 0.084,638 0.099,639 0.077,640 0.118,641 -0.117,642 0.058,643 -0.088,644 0.076,645 -0.089,646 0.015,647 0.077,648 -0.058,649 0.113,650 -0.038,651 0.061,652 0.027,653 -0.007,654 0.11,655 0.096,656 0.136,657 -0.134,658 0.138,659 2.322,660 5.363,661 0.625,662 21.951,663 1.02,664 1.119,665 1.095,666 1.2,667 0.668,668 3.296,669 3.611,670 3.871,671 4.078,672 4.06,673 4.094,674 4.127,675 4.19,676 4.174,677 4.143,678 6.221,679 0.654,680 327.36,681 3.296,682 4.828,683 5.673,684 6.541,685 7.403,686 8.275,687 9.144,688 10.018,689 10.892,690 11.77,691 2.4,699 1,709 7,712 2,714 5,715 1,716 15,721 1,726 1,738 41,739 17,741 26,743 43,744 18,745 12,748 2,752 3,753 3,759 2,768 14,769 4,772 2,778 2,782 2,785 1,786 1,788 2,789 17,790 5,792 6,797 1,803 1,804 5,818 1,822 3,855 3,859 2,862 24,869 2,872 1,886 12.2,889 2,891 3,893 12.667,894 8.117,895 5.306,896 2.318,898 2.259,899 1.338,900 0.961,901 4.833,902 8.954,903 3.597,904 4.186,905 4.737,906 5.24,907 5.314,908 5.542,909 5.725,910 6.039,911 6.262,912 6.426,913 0.857,914 32,915 8.877,917 3.752,918 7.965,919 16.486,921 13.044,924 2.465,925 59.167,928 1,929 200.109,930 127.13,931 1.899,933 80.304,936 127.13,937 280.413,938 1.899,939 17.65,940 6.698,941 70.86,942 62.615,943 35.099,944 39.953,945 176.567,947 200.109,948 129.029,949 80.304,952 200.109,953 80.304,956 26.248,957 102.782,960 200.109,961 82.204,962 127.13,965 200.109,966 38.62,967 90.41,969 80.304,970 200.109,971 82.204,972 127.13,973 0.583,974 0.348,975 0.181,976 0.079,977 17,978 8,979 0.163,980 7,982 1,983 3.665,984 187.484,986 15,987 110.039,993 16.493,994 7.033,995 3.607,997 80.304,998 11.559,1001 10.291,1003 3.157,1004 1.987,1006 409.443,1007 35.5,1013 24.087,1017 -0.911,1020 41.807,1021 45.867,1022 0.289,1023 0.661,1024 0.822,1025 0.893,1026 0.938,1027 0.938,1028 4.818,1029 1.098,1030 5.659,1031 3.559,1032 4.29,1033 4.871,1034 2.45,1035 6.463,1036 4.255,1037 6.03,1038 0.838,1039 7.222,1040 2.539,1041 3.892,1042 4.663,1044 7.365,1045 3.853,1046 7.336,1047 0.618,1048 8.887,1049 1.981,1050 5.878,1051 7.044,1052 3.347,1053 10.469,1054 5.802,1055 8.683,1056 0.618,1057 10.613,1058 1.372,1059 6.347,1060 7.735,1062 12.226,1063 6.262,1064 10.064,1065 0.309,1066 12.378,1067 1.372,1068 7.774,1069 9.513,1070 4.381,1071 14.842,1072 7.654,1073 11.468,1074 0.097,1075 14.17,1076 0.723,1077 8.616,1078 10.603,1080 16.947,1081 8.479,1082 12.89,1083 -0.706,1084 15.982,1085 0.222,1086 9.846,1087 12.156,1088 5.478,1089 19.406,1090 9.677,1091 3.203,1092 -0.802,1093 17.808,1094 -1.842,1095 10.852,1096 13.431,1098 21.664,1099 10.658,1100 2.799,1101 10.936,1102 19.646,1103 -2.024,1104 12.015,1105 14.9,1106 6.608,1107 24.071,1108 11.79,1109 2.578,1110 8.561,1111 21.493,1112 4.281,1113 13.094,1114 16.26,1116 26.399,1117 12.842,1118 2.333,1119 7.997,1120 23.348,1121 3.698,1122 14.238,1123 17.701,1124 7.758,1125 28.79,1126 13.954,1127 1.813,1128 6.738,1129 25.21,1130 3.478,1131 15.352,1132 19.102,1134 31.15,1135 15.038,1136 1.673,1137 4.812,1138 27.078,1139 3.02,1140 16.494,1141 20.537,1142 8.917,1143 33.538,1144 16.149,1145 1.379,1146 4.324,1147 28.951,1148 2.455,1149 17.626,1150 21.958,1152 35.913,1153 17.25,1154 6417,1155 11432,1156 17.107,1157 27.369,1158 39.471,1159 40.396,1160 39.648,1161 38.726,1162 38.712,1163 51.884,1164 7.314,1165 110.274,1166 38.068,1167 5.472,1168 5.598,1169 6.371,1170 5.245,1171 5.203,1172 6.975,1173 3.595,1174 18.185,1175 5.054,1176 11.872,1177 1.518,1178 1.554,1179 1.525,1180 1.489,1181 1.489,1182 1.996,1183 0.281,1184 4.241,1185 1.464,1186 4.065,1187 4.099,1188 4.021,1189 3.932,1190 7.436,1191 3.949,1192 3.903,1193 3.901,1194 3.86,1195 3.73,1196 7.424,1197 3.758,1198 3.837,1199 3.847,1200 3.782,1201 3.692,1202 5.081,1203 3.71,1204 3.481,1205 3.5,1206 3.403,1207 3.244,1208 5.051,1209 3.275,1210 3.197,1211 3.288,1212 3.079,1213 3.019,1214 4.698,1215 2.997,1216 3.104,1217 3.115,1218 2.943,1219 2.863,1220 4.342,1221 2.896,1222 2.984,1223 3.068,1224 2.774,1225 2.784,1226 3.863,1227 2.777,1228 2.774,1229 2.862,1230 2.504,1231 2.564,1232 3.623,1233 2.535,1234 0.176,1235 0.144,1236 0.26,1237 0.16,1238 0.123,1239 4.563,1240 0.165,1241 3.732,1242 0.069,1243 6.757,1244 0.421,1245 4.173,1246 0.12,1247 3.203,1248 4.281,1249 1.797,1250 10.936,1251 3.114,1252 1.733,1253 1.695,1254 1.881,1255 1.93,1256 1.091,1257 1.916,1258 1.676,1259 1.647,1260 1.82,1261 1.84,1262 0.961,1263 1.821,1264 1.527,1265 1.511,1266 1.673,1267 1.691,1268 0.762,1269 1.669,1270 1.464,1271 1.419,1272 1.663,1273 1.589,1274 0.725,1275 1.615,1276 1.356,1277 1.342,1278 1.565,1279 1.586,1280 0.669,1281 1.581,1282 1.292,1283 1.27,1284 1.517,1285 1.563,1286 0.565,1287 1.54,1288 1.2,1289 1.154,1290 1.401,1291 1.465,1292 0.339,1293 1.465,1294 0.849,1295 0.766,1296 1.203,1297 1.125,1298 0.298,1299 1.148,1300 3.97,1302 5.283,1303 3.434,1304 6.76,1305 5.687,1306 8.315,1307 7.678,1308 9.917,1310 3.777,1315 0.217,1318 5.003,1326 26.81,1327 63.504,1328 145.179,1329 180.54,1330 196.15,1331 206.15,1332 206.15,1333 44.116,1334 6.695,1335 74.58,1336 74.58,1337 15,1338 12.308,1339 4.17,1340 3.392,1341 39.37,1342 88,1343 78,1344 0.216,1345 164.609,1346 284.01,1347 393.405,1348 6537,1350 17.104,1351 0.713,1352 0.56,1353 17.104,1354 13.444,1355 11.559,1356 0.445,1357 0.288,1358 7.342,1359 10.933,1360 7.115,1361 5.912,1362 11.559,1363 7.489,1364 10.362,1365 0.288,1366 0.151,1367 10.362,1368 5.427,1369 8.819,1370 0.188,1371 0.081,1372 8.819,1373 3.825,1374 6.985,1375 0.12,1376 0.044,1377 6.985,1378 2.56,1379 4.443,1380 0.078,1381 0.024,1382 4.443,1383 1.379,1384 0.34,1385 73.768,1386 0.242,1387 23.695,1388 0.585,1389 124,1390 452.323,1391 141.805,1392 416.766,1393 558.27,1394 390,1395 145,1396 402.976,1397 163.168,1398 399.73,1399 581.77,1400 374,1401 6.796}
{0 CHEMBL1611170,1 1.625,2 10.8,3 2.316,4 5.363,5 86.479,6 8.031,7 0.24,8 3.88,9 3.96,10 3.472,11 3.257,12 5.154,13 3.296,14 4.39,15 4.524,16 3.741,17 3.51,18 5.816,19 3.548,20 4.526,21 4.677,22 3.74,23 3.582,24 5.852,25 3.603,26 4.411,27 4.534,28 3.699,29 3.625,30 5.694,31 3.621,32 4.602,33 4.783,34 3.754,35 3.637,36 5.857,37 3.64,38 4.597,39 4.766,40 3.792,41 3.531,42 5.985,43 3.591,44 4.394,45 4.513,46 3.708,47 3.501,48 5.844,49 3.529,50 4.461,51 4.636,52 3.588,53 3.526,54 5.77,55 3.491,56 0.272,57 0.549,58 8.021,59 4.068,60 17.135,61 4.681,62 0.84,63 0.749,64 17.257,65 5.847,66 82.171,67 7.113,68 1.199,69 0.809,70 21.702,71 6.357,72 102.17,73 7.718,74 0.653,75 0.836,76 16.118,77 6.53,78 66.514,79 7.822,80 0.873,81 0.903,82 22.706,83 7.046,84 84.275,85 9.229,86 1.175,87 0.815,88 24.04,89 6.141,90 101.746,91 7.737,92 0.965,93 0.752,94 17.133,95 5.662,96 90.685,97 6.768,98 0.832,99 0.8,100 19.179,101 6.45,102 86.735,103 8.546,104 72,105 31,106 0.285,107 0.592,108 0.749,109 0.776,110 0.784,111 0.808,112 3.266,113 0.898,114 -3.06,115 -3.06,116 -2.94,120 36.4,121 2,126 4,136 1,138 1,143 3,144 1,145 2,159 2,167 2,174 3,176 3,177 7,185 4,188 4,189 6,197 3,200 1,201 7,213 1,214 15,226 2,227 10,239 5,240 4,247 4,251 4,252 2,260 3,263 4,264 2,271 2,274 1168,275 16.499,276 16.499,277 16.499,278 16.499,279 16.499,280 14.984,281 19.372,282 10.324,283 17.175,284 12.268,285 12.268,286 12.268,287 12.268,288 12.268,289 9.781,290 18.039,291 4.788,292 13.108,293 3.834,294 2.083,295 1.188,296 1.034,297 0.989,298 0.852,299 3.912,305 1,306 1,307 1,308 521,309 4.528,313 98.78,320 1.744,321 43.493,323 1,324 1,325 0.67,326 0.83,327 1,328 1,329 0.83,330 0.5,331 0.83,332 58.5,333 270,334 4.295,335 3.71,336 6.182,337 3.883,338 2.918,339 3.952,340 2.612,341 9.225,342 2.813,343 3.887,344 3.706,345 5.29,346 3.379,347 2.435,348 3.44,349 2.513,350 6.772,351 2.279,352 3.696,353 3.673,354 5.032,355 3.313,356 2.35,357 2.936,358 2.513,359 6.07,360 2.233,361 3.642,362 3.112,363 4.979,364 3.199,365 2.235,366 2.818,367 0.965,368 5.925,369 2.143,370 3.494,371 2.661,372 4.674,373 3.054,374 2.103,375 2.746,376 0.965,377 5.179,378 1.989,379 2.962,380 2,381 4.35,382 2.533,383 1.59,384 2.09,385 0.257,386 4.226,387 1.489,388 2.463,389 1.82,390 3.326,391 2.028,392 1.125,393 1.237,394 0.257,395 2.121,396 1.002,397 2.161,398 1.81,399 3.29,400 2.006,401 1.089,402 1.14,404 1.998,405 0.984,406 2.157,407 1.458,408 3.059,409 1.757,410 0.782,411 1.091,413 1.592,414 0.756,415 1.81,416 1.239,417 2.75,418 1.433,419 0.518,420 0.598,422 1.019,423 0.463,424 1.766,425 1,426 2.694,427 1.368,428 0.424,429 0.556,431 0.867,432 0.394,433 1.096,434 0.95,435 2.27,436 0.709,437 -0.245,438 -0.304,440 -0.544,441 -0.23,442 1,443 0.407,444 2.123,445 0.408,446 -0.535,447 -0.572,449 -0.848,450 -0.494,451 0.729,452 0.366,453 1.837,454 0.392,455 -0.594,456 -0.689,458 -0.952,459 -0.573,460 0.663,461 0.129,462 1.777,463 0.288,464 -0.715,465 -0.944,467 -1.919,468 -0.699,469 11.067,470 0.443,471 0.544,472 0.022,473 30.25,474 1.21,475 14.5,476 0.58,477 15.75,478 0.63,479 18.19,480 0.728,481 29.733,482 0.676,483 25.341,484 1.014,485 6.559,486 0.262,487 5.397,488 0.216,489 0.211,491 0.262,496 0.673,497 1.439,498 0.696,499 1.413,500 0.569,501 1.135,502 0.947,503 1.086,504 0.845,505 1.078,506 0.523,507 0.951,508 1.15,509 0.71,510 1.011,511 0.708,512 0.918,513 0.789,514 0.929,515 1.381,516 1.056,517 1.378,518 0.972,519 1.292,520 1.004,521 1.137,522 0.92,523 1.111,524 0.917,525 1.009,526 1.325,527 0.849,528 0.951,529 0.781,530 1.045,531 0.729,532 0.995,533 1.08,534 1.055,535 1.098,536 1.213,537 1.098,538 0.74,539 1.204,540 0.968,541 1.25,542 0.961,543 1.215,544 5.5,545 0.149,546 2.444,547 0.938,548 1.013,549 0.771,550 0.53,551 0.448,552 0.288,553 0.191,554 6223,555 25965,556 1.867,557 43.2,559 12,560 1,564 6,567 1.685,568 1.724,569 3.412,570 -0.632,571 1,572 1,574 1,575 71.504,576 1.625,577 3.376,578 4.272,579 4.425,580 4.471,581 4.607,582 2.889,583 4.484,584 4.605,585 3.582,586 1074.73,587 7.997,588 13867.1,590 1,592 1,593 240.215,594 1.479,595 4.553,596 0.22,597 0.009,598 0.079,599 0.03,600 0.034,601 0.025,602 0.017,603 0.015,604 0.012,605 0.009,606 0.449,607 0.33,608 0.88,609 2.364,610 122.632,611 0.048,612 -0.15,613 0.055,614 -0.191,615 -0.028,616 -0.098,617 0.037,618 -0.037,619 0.078,620 -0.026,621 0.172,622 0.032,623 -0.054,624 0.267,625 -0.026,626 0.28,627 -0.07,628 0.165,629 -0.1,630 -0.25,631 -0.213,632 -0.247,633 -0.139,634 -0.271,635 -0.113,636 -0.138,637 0.032,638 -0.105,639 -0.071,640 -0.006,641 -0.18,642 0.079,643 0.08,644 0.142,645 -0.049,646 0.202,647 0.053,648 -0.005,649 -0.134,650 -0.064,651 -0.106,652 -0.151,653 0.097,654 -0.18,655 -0.044,656 -0.214,657 -0.046,658 -0.196,659 2.625,660 4.4,661 0.24,662 28.509,663 1.038,664 1.134,665 1.827,666 3.339,667 0.625,668 3.258,669 3.466,670 3.555,671 3.689,672 3.871,673 3.932,674 3.989,675 4.043,676 4.025,677 3.807,678 6.597,679 0.625,680 353.36,681 3.258,682 4.727,683 5.493,684 6.308,685 7.104,686 7.93,687 8.743,688 9.576,689 10.4,690 11.237,691 2.3,703 1,709 3,714 3,716 6,735 2,738 44,739 11,740 1,741 25,743 44,744 16,745 6,746 3,747 3,748 2,752 1,753 1,759 2,768 10,769 6,772 5,775 1,778 4,780 2,782 2,785 1,786 1,789 19,790 8,792 9,797 1,803 1,804 8,823 1,841 2,845 1,850 1,855 1,859 2,862 25,869 4,872 4,886 18.2,889 2,891 4,892 2,893 14.5,894 8.45,895 5.944,896 2.668,898 1.846,899 1.292,900 0.863,901 9.398,902 8.165,903 3.526,904 3.98,905 4.307,906 4.704,907 5.229,908 5.479,909 5.726,910 6.019,911 6.225,912 5.914,913 1,914 31,915 9.207,917 3.66,918 8.393,919 16.446,921 11.78,924 2.893,925 72.333,928 1,929 223.651,930 111.027,931 5.67,933 145.036,936 111.027,937 368.687,938 5.67,939 23.32,940 27.417,941 37.905,942 64.673,943 57.672,944 11.771,945 211.88,946 50.747,947 223.651,948 116.698,949 145.036,952 153.024,953 164.916,954 50.747,956 36.02,957 71.201,958 9.476,960 223.651,961 150.706,962 111.027,965 223.651,966 46.425,967 70.273,969 145.036,970 223.651,971 150.706,972 111.027,973 0.548,974 0.285,975 0.142,976 0.078,977 9,978 6,979 0.273,980 12,982 1,983 3.653,984 175.377,986 6,987 114.096,993 20.771,994 11.311,995 8.4,997 145.036,998 4.426,1003 0.821,1006 485.385,1007 33,1010 -0.625,1013 43.644,1015 1.96,1017 -1.113,1020 45.673,1021 49.91,1022 0.298,1023 0.618,1024 0.782,1025 0.811,1026 0.819,1027 0.844,1028 4.705,1029 1.089,1030 5.434,1031 2.121,1032 4.143,1033 4.663,1034 3.626,1035 6.107,1036 4.028,1037 5.87,1038 0.782,1039 6.913,1040 1.998,1041 3.611,1042 4.494,1043 3.312,1044 6.783,1045 3.512,1046 7.142,1047 0.518,1048 8.487,1049 1.592,1050 5.602,1051 6.719,1052 5.149,1053 9.768,1054 5.389,1055 8.445,1056 0.424,1057 10.117,1058 1.019,1059 5.832,1060 7.311,1061 5.513,1062 11.268,1063 5.63,1064 9.776,1065 -0.245,1066 11.783,1067 0.867,1068 7.303,1069 9.051,1070 6.87,1071 13.775,1072 7.013,1073 11.124,1074 -0.535,1075 13.474,1076 -0.544,1077 7.907,1078 9.986,1079 7.519,1080 15.657,1081 7.612,1082 12.485,1083 -0.594,1084 15.185,1085 -0.848,1086 9.148,1087 11.534,1088 8.67,1089 17.99,1090 8.79,1091 2.918,1092 -0.715,1093 16.913,1094 -0.952,1095 9.957,1096 12.65,1097 9.455,1098 20.056,1099 9.582,1100 2.435,1101 9.225,1102 18.654,1103 -1.919,1104 11.09,1105 14.111,1106 10.507,1107 22.322,1108 10.669,1109 2.35,1110 6.772,1111 20.407,1112 3.952,1113 12.014,1114 15.329,1115 11.362,1116 24.473,1117 11.567,1118 2.235,1119 6.07,1120 22.17,1121 3.44,1122 13.1,1123 16.746,1124 12.363,1125 26.713,1126 12.616,1127 2.103,1128 5.925,1129 23.942,1130 2.936,1131 14.089,1132 18.025,1133 13.255,1134 28.903,1135 13.574,1136 1.59,1137 5.179,1138 25.722,1139 2.818,1140 15.157,1141 19.419,1142 14.229,1143 31.131,1144 14.609,1145 1.125,1146 4.226,1147 27.508,1148 2.746,1149 16.18,1150 20.734,1151 15.143,1152 33.339,1153 15.6,1154 6710,1155 13848,1156 15.603,1157 27.494,1158 35.625,1159 37.538,1160 36.69,1161 35.048,1162 35.14,1163 45.21,1164 20.166,1165 89.987,1166 33.093,1167 5.19,1168 5.71,1169 5.956,1170 4.969,1171 4.918,1172 6.952,1173 4.612,1174 15.536,1175 4.813,1176 16.291,1177 1.425,1178 1.502,1179 1.468,1180 1.402,1181 1.406,1182 1.808,1183 0.807,1184 3.599,1185 1.324,1186 3.974,1187 3.989,1188 3.932,1189 3.874,1190 7.816,1191 3.881,1192 3.733,1193 3.755,1194 3.704,1195 3.405,1196 7.434,1197 3.455,1198 3.63,1199 3.647,1200 3.548,1201 3.363,1202 7.43,1203 3.396,1204 3.607,1205 3.636,1206 3.516,1207 3.343,1208 6.999,1209 3.376,1210 3.358,1211 3.417,1212 3.173,1213 3.135,1214 4.9,1215 3.135,1216 3.319,1217 3.376,1218 3.129,1219 3.102,1220 4.538,1221 3.102,1222 3.036,1223 3.057,1224 2.958,1225 2.739,1226 4.468,1227 2.808,1228 2.877,1229 2.91,1230 2.773,1231 2.705,1232 4.388,1233 2.71,1234 0.172,1235 0.148,1236 0.247,1237 0.155,1238 0.117,1239 4.295,1240 0.158,1241 3.71,1242 0.104,1243 6.182,1244 0.369,1245 3.883,1246 0.113,1247 2.918,1248 3.952,1249 2.612,1250 9.225,1251 2.813,1252 1.912,1253 1.897,1254 1.999,1255 2.048,1256 1.108,1257 2.021,1258 1.542,1259 1.511,1260 1.813,1261 1.897,1262 0.944,1263 1.816,1264 1.525,1265 1.487,1266 1.811,1267 1.809,1268 0.943,1269 1.796,1270 1.491,1271 1.445,1272 1.646,1273 1.776,1274 0.719,1275 1.765,1276 1.315,1277 1.262,1278 1.561,1279 1.584,1280 0.7,1281 1.585,1282 1.275,1283 1.224,1284 1.513,1285 1.534,1286 0.567,1287 1.535,1288 0.874,1289 0.852,1290 1.106,1291 1.194,1292 0.163,1293 1.154,1294 0.832,1295 0.793,1296 1.009,1297 1.06,1298 0.113,1299 1.06,1300 3.932,1302 5.165,1304 6.567,1306 8.055,1308 9.598,1310 3.336,1315 -0.219,1318 20.102,1326 27.481,1327 71.504,1328 148.547,1329 187.95,1330 194.705,1331 196.705,1332 202.705,1333 86.948,1334 6.319,1335 116.88,1336 116.88,1337 6,1338 11.808,1339 3.585,1340 3.17,1341 71.251,1342 92,1343 112,1344 0.361,1345 175.127,1346 324.94,1347 419.07,1348 3788,1350 18.656,1351 0.746,1352 0.557,1353 18.656,1354 13.928,1355 11.956,1356 0.478,1357 0.299,1358 7.277,1359 11.002,1360 7.123,1361 5.927,1362 11.956,1363 7.484,1364 10.113,1365 0.326,1366 0.145,1367 10.113,1368 4.488,1369 7.024,1370 0.207,1371 0.079,1372 7.024,1373 2.674,1374 5.26,1375 0.135,1376 0.043,1377 5.26,1378 1.693,1379 3.944,1380 0.084,1381 0.021,1382 3.944,1383 0.997,1384 0.567,1385 78.459,1386 0.253,1387 24.655,1388 0.986,1389 112,1390 553.529,1391 136.664,1392 493.359,1393 626.77,1394 456,1395 121,1396 425.104,1397 142.542,1398 408.52,1399 583.41,1400 381,1401 5.186}
{0 CHEMBL1612398,1 1.976,2 7.85,3 3.85,4 14.825,5 83.994,6 10.22,7 0.3,8 3.631,9 3.717,10 3.625,11 3.271,12 4.679,13 3.187,14 4.196,15 4.331,16 4.247,17 3.672,18 5.682,19 3.556,20 4.378,21 4.56,22 4.027,23 3.656,24 5.663,25 3.545,26 4.463,27 4.687,28 4.164,29 3.676,30 5.702,31 3.521,32 4.29,33 4.393,34 4.206,35 3.61,36 5.981,37 3.545,38 4.22,39 4.36,40 4.035,41 3.655,42 5.541,43 3.517,44 4.345,45 4.493,46 3.709,47 3.653,48 5.638,49 3.429,50 4,51 4.178,52 3.056,53 3.174,54 5.271,55 3.006,56 0.12,57 0.486,58 5.74,59 3.496,60 20.049,61 3.807,62 0.55,63 0.729,64 24.69,65 6.459,66 68.642,67 7.139,68 0.515,69 0.855,70 20.661,71 7.325,72 47.115,73 8.227,74 0.704,75 0.81,76 41.481,77 9.248,78 92.256,79 9.25,80 0.871,81 0.602,82 29.846,83 7.227,84 122.75,85 6.562,86 0.491,87 0.599,88 18.768,89 6.373,90 59.53,91 6.466,92 0.748,93 0.524,94 55.884,95 9.861,96 78.639,97 9.677,98 0.539,99 0.424,100 19.726,101 5.233,102 81.209,103 5.428,104 59,105 29,106 0.369,107 0.635,108 0.719,109 0.76,110 0.775,111 0.775,112 3.057,113 1.266,114 -4.25,115 -4.19,116 -3.96,120 34.3,121 2,123 1,126 1,133 1,143 5,145 1,159 1,174 6,176 1,177 1,180 3,185 8,189 9,194 5,197 2,200 2,201 4,206 3,214 10,219 3,222 3,227 4,235 12,240 5,247 8,260 9,271 5,274 506,275 12.118,276 12.118,277 12.118,278 12.118,279 12.118,280 10.858,281 9.603,282 7.1,283 12.962,284 9.863,285 9.863,286 9.863,287 9.863,288 9.863,289 7.96,290 8.056,291 3.379,292 11.559,293 3.154,294 1.729,295 1.275,296 1.058,297 0.979,298 0.979,299 3.678,302 3,305 1,306 1,307 1,308 304,309 4.637,313 78.323,320 1.08,321 32.565,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 44,333 157,334 4.864,335 4.689,336 7.344,337 4.332,338 3.448,339 4.704,340 2.499,341 12.644,342 3.084,343 4.386,344 4.052,345 7.064,346 3.944,347 3.217,348 3.579,349 1.034,350 11.478,351 2.374,352 3.553,353 2.508,354 5.012,355 3.192,356 2.224,357 3.043,358 0.072,359 5.653,360 2.123,361 3.287,362 2.125,363 4.709,364 3.027,365 2.041,366 2.31,368 5.224,369 1.978,370 2.896,371 1.948,372 4.408,373 2.369,374 1.564,375 1.896,377 4.261,378 1.191,379 2.69,380 1.333,381 3.624,382 2.152,383 1.176,384 1.737,386 2.733,387 1.012,388 2.5,389 1,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 1.506,398 0.754,399 3.093,400 1.342,401 0.427,402 0.444,404 0.997,405 0.381,406 1,407 0.146,408 2.864,409 0.356,410 -0.589,411 -0.698,413 -1.59,414 -0.4,415 0.747,416 -0.17,417 2.525,418 0.225,419 -0.737,420 -1,422 -1.893,423 -0.4,424 0.702,425 -0.17,426 2,428 -1,429 -1,431 -2,432 -0.543,433 0.5,434 -0.318,435 2,437 -1,438 -1,440 -2.347,441 -0.692,443 -0.825,444 2,446 -1,447 -1.054,449 -3,450 -1,452 -1,453 2,454 -0.319,455 -1,456 -1.341,458 -3,459 -1,461 -1,462 1.595,463 -0.6,464 -1,465 -1.5,467 -3,468 -1,469 10.443,470 0.522,471 0.873,472 0.044,473 22.5,474 1.125,475 10.5,476 0.525,477 12,478 0.6,479 19.453,480 0.973,481 23.157,482 0.662,483 15.932,484 0.797,485 3.972,486 0.199,487 5.154,488 0.258,489 0.365,490 0.128,491 0.144,496 0.501,497 1.5,498 0.611,499 1.117,500 0.718,501 0.918,502 0.434,503 1.088,504 0.505,505 0.794,506 0.501,507 0.836,508 0.623,509 1.368,510 0.643,511 1.104,512 0.774,513 1.015,514 1.073,515 0.821,516 0.665,517 0.662,518 1.195,519 0.631,520 1.316,521 1.05,522 1.346,523 1.224,524 1.383,525 0.954,526 1.555,527 0.931,528 1.223,529 0.777,530 1.348,531 0.903,532 1.91,533 0.865,534 2.573,535 1.805,536 1.341,537 1.515,538 1.832,539 0.698,540 1.227,541 0.85,542 2.141,543 1.185,544 7,545 0.025,546 3.111,547 1.563,548 1.449,549 0.993,550 0.409,551 0.219,552 0.143,553 0.044,554 2950,555 12338,556 1.787,557 42.9,558 6,559 7,562 1,564 1,567 1.624,568 1.6,569 2.943,570 -0.124,572 1,574 1,575 69.147,576 1.976,577 3.401,578 3.854,579 4.072,580 4.15,581 4.15,582 2.39,583 3.484,584 4.293,585 3.092,586 587.551,587 7.369,588 6064.44,590 1,591 1,592 1,593 179.525,594 1.802,595 4.165,596 0.35,597 0.012,598 0.107,599 0.058,600 0.056,601 0.034,602 0.017,603 0.012,604 0.014,605 0.009,606 0.67,607 0.17,608 1,609 2.159,610 87.802,611 0.066,612 -0.192,613 0.078,614 -0.109,615 -0.185,616 -0.006,617 0.437,618 0.031,619 0.347,620 0.145,621 0.348,622 0.082,623 0.189,624 -0.258,625 0.103,626 -0.163,627 0.078,628 -0.091,629 -0.037,630 0.195,631 0.262,632 0.359,633 -0.061,634 0.332,635 0.154,636 -0.095,637 -0.106,638 -0.195,639 0.226,640 -0.042,641 -0.414,642 0.091,643 -0.129,644 0.183,645 -0.253,646 0.012,647 -0.587,648 -0.049,649 -0.828,650 -0.556,651 -0.28,652 -0.437,653 -0.535,654 0.104,655 -0.342,656 -0.017,657 -0.543,658 -0.263,659 4.741,660 5.166,661 0.3,662 13.43,663 1.028,664 1.128,665 3.018,666 9.109,667 0.721,668 3.045,669 3.401,670 3.434,671 3.526,672 3.714,673 3.526,674 3.367,675 3.045,676 2.944,677 2.708,678 4.873,679 0.667,680 357.71,681 3.045,682 4.595,683 5.38,684 6.263,685 7.088,686 7.969,687 8.811,688 9.691,689 10.543,690 11.421,691 5.7,693 1,700 1,709 5,714 1,716 6,738 35,739 9,740 1,741 20,743 35,744 12,745 6,746 1,747 5,752 1,753 1,754 3,759 3,765 1,768 7,769 5,770 1,772 3,776 1,778 2,781 1,782 1,786 1,789 15,790 4,791 1,792 8,793 4,797 2,799 1,803 1,804 2,823 1,855 1,857 1,859 2,860 3,862 20,866 1,869 1,871 1,874 1,876 1,885 3,886 5.7,889 2,893 12.5,894 6.629,895 4.292,896 1.965,898 1.37,899 1.241,900 0.9,901 6.289,902 7.06,903 3.296,904 3.882,905 4.186,906 4.581,907 4.976,908 4.853,909 5.049,910 4.618,911 4.857,912 4.822,913 1,914 27,915 7.662,917 3.473,918 8.208,919 13.566,921 10.711,924 2.708,925 54.167,929 164.795,930 76.823,931 33.191,932 117.446,933 44.313,935 5.807,936 71.016,937 326.554,938 33.191,939 17.65,940 2.106,941 69.594,942 46.641,943 18.336,944 117.446,945 164.795,947 164.795,948 104.207,949 44.313,950 123.253,952 153.024,953 56.084,956 52.947,957 51.26,958 123.253,960 164.795,961 77.503,962 194.269,964 5.807,965 164.795,966 5.984,967 65.032,968 16.405,969 178.544,970 164.795,971 77.503,972 194.269,973 0.598,974 0.298,975 0.133,976 0.085,977 12,978 7,979 0.143,980 5,982 1,983 2.976,984 136.853,986 6,987 73.684,992 1,993 17.726,994 7.096,995 5.916,997 77.503,998 7.812,1003 0.075,1005 16.405,1006 436.568,1007 26,1011 -3.825,1013 24.332,1016 4.036,1017 -0.208,1020 35.975,1021 39.489,1022 0.385,1023 0.663,1024 0.751,1025 0.794,1026 0.809,1027 0.809,1028 4.559,1029 0.427,1030 5.493,1031 2.136,1032 4.078,1033 4.564,1034 2.462,1035 6.389,1036 3.824,1037 5.841,1038 -0.589,1039 7.138,1040 0.997,1041 4.205,1042 4.856,1043 2.662,1044 7.934,1045 3.636,1046 7.227,1047 -0.737,1048 8.918,1049 -1.59,1050 5.883,1051 6.889,1052 3.8,1053 10.865,1054 5.333,1055 8.656,1056 -1,1057 10.775,1058 -1.893,1059 6.723,1060 7.938,1061 4.563,1062 13.094,1063 5.878,1064 10.121,1065 -1,1066 12.678,1067 -2,1068 8.07,1069 9.628,1070 5.522,1071 15.726,1072 7.194,1073 11.611,1074 -1,1075 14.609,1076 -2.347,1077 9.154,1078 10.971,1079 6.407,1080 18.146,1081 8.055,1082 13.119,1083 -1,1084 16.557,1085 -3,1086 10.408,1087 12.557,1088 7.333,1089 20.695,1090 9.239,1091 3.448,1092 -1,1093 18.515,1094 -3,1095 11.577,1096 14.017,1097 8.242,1098 23.176,1099 10.244,1100 3.217,1101 12.644,1102 20.481,1103 -3,1104 12.804,1105 15.573,1106 9.161,1107 25.7,1108 11.383,1109 2.224,1110 11.478,1111 22.451,1112 4.704,1113 14.004,1114 17.081,1115 10.075,1116 28.202,1117 12.453,1118 2.041,1119 5.653,1120 24.425,1121 3.579,1122 15.224,1123 18.628,1124 10.992,1125 30.721,1126 13.579,1127 1.564,1128 5.224,1129 26.4,1130 3.043,1131 16.436,1132 20.158,1133 11.907,1134 33.233,1135 14.679,1136 1.176,1137 4.261,1138 28.377,1139 2.31,1140 17.655,1141 21.704,1142 12.823,1143 35.751,1144 15.802,1145 1,1146 2.733,1147 30.356,1148 1.896,1149 18.872,1150 23.243,1151 13.739,1152 38.268,1153 16.915,1154 3236,1155 6820,1156 11.614,1157 25.233,1158 30.564,1159 30.561,1160 30.602,1161 30.637,1162 30.197,1163 38.428,1164 7.21,1165 90.252,1166 26.285,1167 5.749,1168 6.689,1169 7.146,1170 5.382,1171 5.448,1172 7.704,1173 3.734,1174 20.215,1175 5.084,1176 13.823,1177 1.528,1178 1.528,1179 1.53,1180 1.532,1181 1.51,1182 1.921,1183 0.361,1184 4.513,1185 1.314,1186 4.072,1187 4.05,1188 4.738,1189 4.059,1190 7.717,1191 3.968,1192 3.757,1193 3.813,1194 4.247,1195 3.631,1196 6.999,1197 3.62,1198 3.626,1199 3.647,1200 3.674,1201 3.53,1202 5.179,1203 3.474,1204 3.414,1205 3.396,1206 3.542,1207 3.349,1208 4.717,1209 3.29,1210 2.917,1211 3.009,1212 3.004,1213 2.735,1214 4.494,1215 2.715,1216 2.874,1217 2.981,1218 2.951,1219 2.713,1220 4.11,1221 2.691,1222 2.854,1223 2.925,1224 2.951,1225 2.618,1226 4.11,1227 2.57,1228 2.644,1229 2.714,1230 2.687,1231 2.494,1232 4.097,1233 2.476,1234 0.243,1235 0.234,1236 0.367,1237 0.217,1238 0.172,1239 4.864,1240 0.235,1241 4.689,1242 0.125,1243 7.344,1244 0.632,1245 4.332,1246 0.154,1247 3.448,1248 4.704,1249 2.499,1250 12.644,1251 3.084,1252 1.956,1253 1.963,1254 1.996,1255 2.025,1256 1.223,1257 2.065,1258 1.731,1259 1.672,1260 1.974,1261 1.905,1262 1.154,1263 1.931,1264 1.52,1265 1.517,1266 1.485,1267 1.69,1268 0.691,1269 1.717,1270 1.248,1271 1.268,1272 1.417,1273 1.397,1274 0.493,1275 1.429,1276 0.934,1277 0.821,1278 1.207,1279 1.239,1280 0.469,1281 1.308,1282 0.886,1283 0.804,1284 1.181,1285 1.062,1286 0.288,1287 1.119,1288 0.851,1289 0.776,1290 1.037,1291 1.062,1292 0.218,1293 1.107,1294 0.62,1295 0.567,1296 0.624,1297 0.832,1299 0.872,1300 3.714,1302 5.056,1304 6.569,1306 8.159,1308 9.79,1310 3.844,1311 17.248,1315 0.348,1317 2.231,1320 0.207,1322 -1.934,1326 23.356,1327 69.147,1328 119.021,1329 134.896,1330 142.505,1331 145.26,1332 145.26,1333 68.189,1334 5.69,1335 58.53,1336 66.91,1337 6,1338 11.964,1339 3.322,1340 2.807,1341 49.192,1342 57,1343 54,1344 0.433,1345 164.486,1346 286.06,1347 393.106,1348 1470,1349 8.6,1350 15.389,1351 0.769,1352 0.703,1353 17.139,1354 14.061,1355 9.127,1356 0.456,1357 0.422,1358 5.981,1359 7.49,1360 5.523,1361 4.657,1362 10.698,1363 8.439,1364 9.562,1365 0.33,1366 0.292,1367 13.17,1368 8.463,1369 5.8,1370 0.193,1371 0.135,1372 7.496,1373 4.059,1374 4.062,1375 0.123,1376 0.086,1377 5.605,1378 2.834,1379 3.392,1380 0.085,1381 0.053,1382 5.172,1383 2.115,1384 0.654,1385 73.057,1386 0.293,1387 19.688,1388 1.264,1389 98,1390 350.92,1391 223.808,1392 447.204,1393 558.18,1394 404,1395 108,1396 295.804,1397 198.919,1398 365.81,1399 547.21,1400 338,1401 5.13}
{0 CHEMBL1612458,1 1.683,2 10.273,3 1.069,4 1.143,5 75.615,6 8.397,7 0.458,8 3.732,9 3.817,10 3.385,11 3.186,12 4.946,13 3.231,14 4.239,15 4.357,16 3.717,17 3.51,18 5.49,19 3.55,20 4.428,21 4.59,22 3.676,23 3.53,24 5.714,25 3.539,26 4.285,27 4.449,28 3.518,29 3.429,30 5.558,31 3.428,32 4.247,33 4.427,34 3.386,35 3.349,36 5.602,37 3.315,38 4.169,39 4.383,40 3.297,41 3.217,42 5.417,43 3.18,44 4.014,45 4.211,46 3.261,47 3.068,48 5.332,49 3.085,50 3.89,51 4.041,52 3.093,53 3.006,54 5.184,55 3.015,56 0.161,57 0.508,58 5.966,59 3.141,60 10.728,61 3.358,62 0.453,63 0.766,64 12.198,65 4.995,66 29.657,67 5.482,68 0.86,69 0.848,70 17.93,71 5.781,72 65.53,73 6.667,74 0.528,75 0.766,76 14.592,77 5.113,78 44.329,79 5.999,80 0.61,81 0.715,82 14.848,83 5.084,84 72.151,85 6.292,86 0.582,87 0.658,88 14.745,89 4.621,90 51.456,91 6.301,92 0.494,93 0.552,94 12.552,95 3.749,96 38.768,97 4.795,98 0.438,99 0.473,100 10.3,101 3.456,102 47.345,103 3.726,104 5,105 32,106 0.306,107 0.673,108 0.799,109 0.868,110 0.878,111 0.888,112 3.145,113 0.842,114 -1.45,115 -1.53,116 -1.58,120 41.7,126 3,143 5,145 3,152 1,153 1,159 2,174 2,177 4,180 2,182 2,185 1,188 2,189 4,192 2,193 1,194 2,197 1,201 4,204 1,206 1,213 1,214 1,217 2,219 2,226 2,227 1,230 1,232 2,239 1,240 3,243 1,245 1,252 3,255 1,260 2,263 1,264 1,271 3,274 630,275 14.999,276 14.999,277 14.999,278 14.999,279 14.999,280 13.408,281 18.534,282 9.07,283 15.327,284 11.865,285 11.865,286 11.865,287 11.865,288 11.865,289 9.342,290 24.35,291 4.335,292 12.361,293 3.487,294 1.462,295 0.767,296 0.389,297 0.333,298 0.278,299 3.828,306 1,307 1,308 490,309 3.317,312 67.425,313 122.366,317 103.979,320 1.636,321 29.797,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 50,333 226,334 4.283,335 3.638,336 6.185,337 3.877,338 2.931,339 3.92,340 1.956,341 9.238,342 2.815,343 4.157,344 3.514,345 6.023,346 3.806,347 2.8,348 3.698,349 1.058,350 8.556,351 2.765,352 3.76,353 3.247,354 5.422,355 3.448,356 2.476,357 3.026,358 0.86,359 7.169,360 2.395,361 3.375,362 2.429,363 4.801,364 3,365 2.017,366 2.603,367 0.86,368 5.432,369 1.965,370 3.201,371 2.204,372 4.409,373 2.738,374 1.725,375 2.397,376 0.248,377 4.362,378 1.736,379 2.923,380 2.175,381 4.271,382 2.53,383 1.618,384 2.061,386 4.12,387 1.469,388 2.475,389 1.8,390 3.616,391 2.317,392 1.398,393 1.474,395 2.999,396 1.271,397 2.32,398 1.438,399 3.309,400 1.893,401 0.914,402 1.216,404 2.101,405 0.891,406 2.118,407 1.034,408 3.171,409 1.618,410 0.7,411 0.927,413 1.617,414 0.626,415 1.923,416 1.02,417 3,418 1.605,419 0.618,420 0.831,422 1.372,423 0.618,424 1.7,425 0.618,426 2.911,427 1.344,428 0.34,429 0.423,431 0.78,432 0.336,433 1.196,434 0.586,435 2.468,436 0.839,437 -0.133,438 -0.164,440 -0.325,441 -0.127,442 0.688,443 0.15,444 2.216,445 0.313,446 -0.618,447 -0.729,449 -1.588,450 -0.564,451 0.613,452 -0.139,453 2,454 0.209,455 -0.743,456 -0.868,458 -1.84,459 -0.69,460 0.41,461 -0.333,462 1.91,463 0.069,464 -1,465 -1.299,467 -2.426,468 -1.05,469 9.967,470 0.453,471 0.452,472 0.021,473 29.5,474 1.341,475 14.5,476 0.659,477 15,478 0.682,479 13.552,480 0.616,481 24.233,482 0.673,483 20.791,484 0.945,485 6.254,486 0.284,487 4.466,488 0.203,489 0.067,491 0.301,496 0.843,497 1.336,498 0.679,499 1.161,500 0.59,501 0.915,502 1.055,503 1.214,504 0.891,505 1.118,506 0.679,507 0.986,508 1.128,509 0.849,510 1.082,511 0.856,512 1.097,513 0.934,514 1.127,515 1.172,516 1.104,517 1.108,518 1.312,519 1.096,520 0.93,521 1.092,522 1.105,523 1.084,524 1.131,525 1.144,526 0.659,527 1.021,528 0.873,529 0.981,530 0.864,531 0.985,532 0.964,533 0.908,534 0.825,535 0.835,536 1.052,537 0.782,538 1.445,539 0.878,540 1.224,541 0.93,542 1.86,543 0.994,544 4,545 0.078,546 2.222,547 0.965,548 1.006,549 0.393,550 0.35,551 0.222,552 0.116,553 0.106,554 5675,555 18625,556 2.097,557 38.9,559 11,560 1,562 2,567 1.638,568 2,569 3.356,570 0.393,571 1,572 1,574 1,575 60.601,576 1.683,577 3.708,578 4.403,579 4.781,580 4.837,581 4.892,582 2.777,583 3.914,584 4.435,585 3.514,586 811.639,587 7.581,588 9309.44,589 1,590 1,593 186.117,594 1.241,595 4.407,596 0.167,597 0.006,598 0.069,599 0.033,600 0.04,601 0.019,602 0.018,603 0.012,604 0.007,605 0.007,606 0.379,607 0.33,608 1,609 0.517,610 103.361,611 -0.108,612 -0.165,613 0.039,614 -0.114,615 -0.059,616 -0.008,617 -0.101,618 -0.142,619 -0.039,620 -0.126,621 -0.014,622 -0.079,623 -0.021,624 0.14,625 -0.097,626 0.084,627 -0.064,628 -0.011,629 -0.178,630 -0.159,631 -0.166,632 -0.149,633 -0.146,634 -0.153,635 0.011,636 -0.12,637 -0.131,638 -0.121,639 0.078,640 -0.17,641 0.201,642 -0.064,643 0.152,644 -0.034,645 0.125,646 0.03,647 0.039,648 0.056,649 0.209,650 0.095,651 0.086,652 0.191,653 -0.283,654 0.074,655 -0.24,656 0.031,657 -0.336,658 -0.066,659 2.109,660 4.826,661 0.682,662 17.909,663 1.032,664 1.126,665 0.22,666 0.048,667 0.663,668 3.219,669 3.497,670 3.714,671 3.912,672 4.025,673 3.989,674 4.025,675 4.078,676 4.078,677 3.912,678 6.208,679 0.66,680 302.31,681 3.219,682 4.727,683 5.549,684 6.395,685 7.231,686 8.079,687 8.919,688 9.768,689 10.61,690 11.459,691 5.6,698 2,709 6,712 1,714 4,716 11,723 1,735 2,738 36,739 13,740 1,741 24,743 38,744 15,745 10,746 3,747 3,748 1,752 3,753 4,768 12,769 3,772 2,778 2,782 2,785 1,786 1,788 1,789 14,790 7,791 2,792 7,797 2,803 0.667,804 5,822 1,823 2,827 1,838 1,855 2,862 22,869 3,871 2,872 2,886 13.9,889 2,891 3,893 11,894 6.333,895 4.889,896 1.993,898 1.822,899 1.273,900 0.97,901 4.532,902 8.494,903 3.481,904 4.003,905 4.484,906 4.962,907 5.264,908 5.364,909 5.464,910 5.641,911 5.66,912 5.495,913 0.857,914 29,915 8.122,917 3.454,918 8.045,919 14.964,921 11.802,924 2.545,925 56,929 141.253,930 98.513,931 36.022,933 81.797,936 98.513,937 223.05,938 36.022,940 47.312,941 59.121,942 59.699,943 44.751,944 17.22,945 129.482,947 141.253,948 134.534,949 81.797,952 141.253,953 81.797,956 47.312,957 87.222,960 141.253,961 117.818,962 98.513,965 141.253,966 39.392,967 59.121,968 36.022,969 81.797,970 141.253,971 117.818,972 98.513,973 0.572,974 0.327,975 0.172,976 0.085,977 15,978 6,979 0.105,980 4,981 1,982 1.133,983 3.597,984 161.743,985 0.133,986 15,987 98.107,993 14.78,994 6.745,995 3.751,997 117.818,998 9.633,1001 4.934,1003 1.965,1005 36.022,1006 357.585,1007 31.5,1013 23.459,1017 -0.793,1020 37.142,1021 40.535,1022 0.326,1023 0.717,1024 0.852,1025 0.925,1026 0.936,1027 0.946,1028 4.689,1029 0.914,1030 5.501,1031 2.999,1032 4.174,1033 4.687,1034 2.549,1035 6.236,1036 4.103,1037 5.858,1038 0.7,1039 7.011,1040 2.101,1041 3.611,1042 4.369,1043 1.593,1044 6.969,1045 3.554,1046 7.136,1047 0.618,1048 8.619,1049 1.617,1050 5.694,1051 6.769,1052 3.232,1053 10.026,1054 5.561,1055 8.448,1056 0.34,1057 10.286,1058 1.372,1059 5.969,1060 7.298,1061 3.114,1062 11.595,1063 5.848,1064 9.792,1065 -0.133,1066 11.99,1067 0.78,1068 7.475,1069 9.127,1070 4.274,1071 14.126,1072 7.288,1073 11.157,1074 -0.618,1075 13.721,1076 -0.325,1077 8.145,1078 10.047,1079 4.559,1080 16.04,1081 7.957,1082 12.537,1083 -0.743,1084 15.469,1085 -1.588,1086 9.403,1087 11.636,1088 5.489,1089 18.376,1090 9.163,1091 2.931,1092 -1,1093 17.23,1094 -1.84,1095 10.268,1096 12.753,1097 5.961,1098 20.444,1099 10.014,1100 2.8,1101 9.238,1102 19.002,1103 -2.426,1104 11.415,1105 14.228,1106 6.773,1107 22.7,1108 11.118,1109 2.476,1110 8.556,1111 20.781,1112 3.92,1113 12.376,1114 15.45,1115 7.337,1116 24.839,1117 12.057,1118 2.017,1119 7.169,1120 22.565,1121 3.698,1122 13.471,1123 16.867,1124 8.087,1125 27.063,1126 13.115,1127 1.725,1128 5.432,1129 24.355,1130 3.026,1131 14.48,1132 18.145,1133 8.698,1134 29.236,1135 14.096,1136 1.618,1137 4.362,1138 26.148,1139 2.603,1140 15.554,1141 19.532,1142 9.414,1143 31.448,1144 15.135,1145 1.398,1146 4.12,1147 27.944,1148 2.397,1149 16.587,1150 20.841,1151 10.051,1152 33.637,1153 16.137,1154 5412,1155 9924,1156 16.296,1157 23.852,1158 35.594,1159 36.881,1160 35.57,1161 35.086,1162 35.076,1163 45.153,1164 9.965,1165 95.493,1166 33.775,1167 5.227,1168 5.638,1169 5.872,1170 5.018,1171 4.931,1172 6.92,1173 3.429,1174 15.556,1175 4.815,1176 8.032,1177 1.483,1178 1.537,1179 1.482,1180 1.462,1181 1.461,1182 1.881,1183 0.415,1184 3.979,1185 1.407,1186 3.968,1187 3.986,1188 3.922,1189 3.848,1190 7.434,1191 3.861,1192 3.904,1193 3.91,1194 3.86,1195 3.738,1196 7.424,1197 3.765,1198 3.609,1199 3.65,1200 3.531,1201 3.362,1202 5.051,1203 3.396,1204 3.431,1205 3.485,1206 3.301,1207 3.229,1208 4.951,1209 3.236,1210 3.163,1211 3.192,1212 3.102,1213 2.891,1214 4.383,1215 2.938,1216 2.905,1217 2.942,1218 2.796,1219 2.732,1220 4.213,1221 2.735,1222 2.761,1223 2.817,1224 2.635,1225 2.603,1226 4.023,1227 2.605,1228 2.531,1229 2.595,1230 2.362,1231 2.218,1232 3.672,1233 2.235,1234 0.178,1235 0.152,1236 0.258,1237 0.162,1238 0.122,1239 4.283,1240 0.163,1241 3.638,1242 0.082,1243 6.185,1244 0.385,1245 3.877,1246 0.117,1247 2.931,1248 3.92,1249 1.956,1250 9.238,1251 2.815,1252 1.893,1253 1.877,1254 1.987,1255 2.035,1256 1.109,1257 2.018,1258 1.602,1259 1.573,1260 1.747,1261 1.853,1262 0.93,1263 1.816,1264 1.464,1265 1.422,1266 1.68,1267 1.679,1268 0.841,1269 1.67,1270 1.397,1271 1.353,1272 1.624,1273 1.587,1274 0.698,1275 1.599,1276 1.276,1277 1.261,1278 1.402,1279 1.543,1280 0.335,1281 1.508,1282 0.903,1283 0.848,1284 1.152,1285 1.2,1286 0.202,1287 1.175,1288 0.803,1289 0.751,1290 1.028,1291 1.07,1292 0.086,1293 1.064,1294 0.601,1295 0.581,1296 0.905,1297 0.889,1298 0.055,1299 0.869,1300 3.892,1302 5.176,1303 2.398,1304 6.645,1305 4.443,1306 8.2,1307 6.293,1308 9.801,1315 0.828,1317 5.14,1318 10.833,1326 23.778,1327 60.601,1328 133.488,1329 158.508,1330 172.117,1331 174.117,1332 176.117,1333 37.276,1334 6.672,1335 89.8,1336 89.8,1337 17,1338 12.019,1339 3.807,1340 3.087,1341 34.755,1342 83,1343 64,1344 0.203,1345 145.553,1346 256.65,1347 346.91,1348 6871,1350 15.364,1351 0.698,1352 0.528,1353 15.364,1354 11.627,1355 10.72,1356 0.447,1357 0.281,1358 6.572,1359 10.059,1360 6.511,1361 5.336,1362 10.72,1363 6.734,1364 9.424,1365 0.294,1366 0.143,1367 9.424,1368 4.567,1369 7.703,1370 0.193,1371 0.075,1372 7.703,1373 2.98,1374 6.181,1375 0.126,1376 0.04,1377 6.181,1378 1.982,1379 4.568,1380 0.083,1381 0.022,1382 4.568,1383 1.195,1384 0.326,1385 69.064,1386 0.248,1387 22.211,1388 0.533,1389 112,1390 437.343,1391 130.832,1392 398.959,1393 530.8,1394 374,1395 128,1396 377.489,1397 146.751,1398 370.275,1399 540.1,1400 349,1401 6.562}
{0 CHEMBL1612673,1 1.556,2 10.857,3 3.012,4 9.073,5 103.389,6 7.236,7 0.323,8 4.071,9 4.188,10 3.614,11 3.574,12 5.13,13 3.56,14 4.667,15 4.846,16 4.035,17 4.009,18 5.687,19 3.975,20 4.946,21 5.148,22 4.086,23 4.156,24 6.003,25 4.095,26 5.066,27 5.285,28 4.055,29 4.166,30 6.227,31 4.085,32 4.998,33 5.231,34 4.013,35 4.048,36 6.258,37 3.987,38 4.874,39 5.088,40 3.855,41 3.981,42 5.999,43 3.914,44 4.792,45 5.018,46 3.786,47 3.876,48 5.955,49 3.795,50 4.644,51 4.859,52 3.63,53 3.744,54 5.792,55 3.673,56 0.038,57 0.778,58 11.327,59 4.917,60 7.658,61 6.553,62 0.325,63 1.302,64 22.722,65 8.403,66 28.851,67 11.775,68 0.535,69 1.573,70 31.663,71 10.603,72 54.24,73 14.887,74 0.637,75 1.662,76 36.825,77 11.796,78 103.568,79 16.691,80 0.816,81 1.474,82 35.672,83 10.804,84 140.47,85 15.176,86 0.589,87 1.316,88 31.09,89 9.882,90 83.179,91 13.323,92 0.594,93 1.232,94 28.397,95 9.134,96 72.435,97 12.85,98 0.471,99 1.05,100 24.545,101 7.79,102 71.509,103 10.644,104 26,105 46,106 0.259,107 0.572,108 0.734,109 0.807,110 0.843,111 0.843,112 3.375,113 0.946,114 -2.46,115 -2.49,116 -2.44,120 39.6,121 2,122 5,126 2,131 1,143 3,144 1,152 1,153 3,158 1,159 1,160 1,174 6,176 2,177 7,180 2,182 2,185 6,188 2,189 7,192 1,194 2,197 4,200 2,201 9,206 1,209 1,213 3,214 12,217 1,219 1,222 4,227 6,232 1,235 6,239 3,240 5,243 1,245 1,247 4,251 1,252 7,257 1,260 5,264 3,271 5,274 1168,275 18.629,276 18.629,277 18.629,278 18.629,279 18.629,280 16.966,281 19.891,282 10.65,283 18.819,284 15.217,285 15.217,286 15.217,287 15.217,288 15.217,289 12.59,290 24.621,291 4.983,292 15.5,293 4.172,294 2.294,295 1.325,296 0.887,297 0.67,298 0.67,299 4.062,305 1,306 1,307 1,308 664,309 3.464,312 249.656,313 95.302,320 1.592,321 39.04,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 61.5,333 304,334 4.671,335 4.231,336 7.713,337 4.56,338 3.584,339 4.281,340 2.04,341 14.256,342 3.495,343 4.559,344 3.669,345 6.76,346 4.174,347 3.204,348 3.817,349 1.601,350 10.949,351 3.117,352 3.944,353 3.406,354 6.157,355 3.631,356 2.651,357 3.478,358 1.375,359 8.844,360 2.596,361 3.779,362 3.18,363 5.846,364 3.488,365 2.505,366 3.041,367 0.522,368 7.846,369 2.449,370 3.589,371 2.812,372 5.304,373 3.255,374 2.26,375 2.749,376 0.472,377 6.713,378 2.235,379 3.088,380 2.653,381 5.001,382 2.716,383 1.706,384 2.182,386 4.892,387 1.713,388 3.011,389 2.093,390 4.819,391 2.673,392 1.671,393 2.091,395 4.699,396 1.663,397 2.754,398 1.805,399 4.302,400 2.528,401 1.546,402 1.796,404 3.679,405 1.511,406 2.563,407 1.662,408 3.942,409 2.334,410 1.33,411 1.567,413 3.237,414 1.329,415 2.487,416 1.597,417 3.732,418 2.045,419 1.045,420 1.445,422 2.514,423 1.041,424 2.118,425 1.25,426 3.496,427 2,428 1,429 1,431 2.23,432 1,433 2,434 1,435 3.35,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.874,443 0.654,444 3.065,445 1.456,446 0.425,447 0.524,449 1.1,450 0.43,451 1.359,452 0.618,453 3,454 1.146,455 0.155,456 0.18,458 0.384,459 0.153,460 1,461 0.556,462 2.859,463 0.789,464 -0.216,465 -0.243,467 -0.543,468 -0.215,469 13.033,470 0.465,471 0.848,472 0.03,473 31.25,474 1.116,475 12.5,476 0.446,477 18.75,478 0.67,479 28.102,480 1.004,481 31.367,482 0.592,483 24.44,484 0.873,485 5.91,486 0.211,487 7.5,488 0.268,489 0.153,490 0.038,491 0.33,496 0.687,497 1.478,498 0.781,499 1.215,500 0.506,501 1.041,502 0.624,503 1.177,504 0.769,505 1.028,506 0.498,507 0.938,508 0.99,509 1.087,510 1.03,511 1.052,512 0.923,513 1.041,514 1.084,515 1.158,516 1.089,517 1.135,518 1.221,519 1.111,520 1.151,521 0.837,522 0.936,523 0.856,524 1.252,525 0.85,526 1.516,527 0.917,528 1.117,529 0.893,530 1.493,531 0.93,532 1,533 0.996,534 1.001,535 1.03,536 1.288,537 1.02,538 1.393,539 0.99,540 1.111,541 0.97,542 1.616,543 0.991,544 6.5,545 0.156,546 4.222,547 3.597,548 1.837,549 0.955,550 0.827,551 0.523,552 0.311,553 0.215,554 9730,555 24405,556 2.064,557 47.2,558 6,559 7,560 1,562 1,563 6,564 4,567 1.711,568 1.898,569 3.391,570 -0.323,571 1,572 1,575 82.49,576 1.556,577 3.434,578 4.403,579 4.841,580 5.058,581 5.058,582 2.874,583 4.28,584 4.78,585 3.565,586 1347.53,587 8.315,588 17427.6,590 1,592 1,593 303.58,594 1.656,595 4.716,596 0.21,597 0.007,598 0.092,599 0.078,600 0.044,601 0.023,602 0.023,603 0.016,604 0.011,605 0.01,606 0.514,607 0.33,608 1,609 0.616,610 139.716,611 -0.028,612 -0.223,613 0.061,614 -0.08,615 -0.008,616 -0.007,617 0.14,618 -0.022,619 0.139,620 0.014,621 0.065,622 0.061,623 -0.029,624 -0.01,625 -0.074,626 -0.059,627 -0.032,628 -0.071,629 -0.036,630 -0.154,631 -0.104,632 -0.164,633 -0.007,634 -0.147,635 0.054,636 0.117,637 0.09,638 0.086,639 0.112,640 0.098,641 -0.247,642 0.037,643 -0.1,644 0.081,645 -0.179,646 0.027,647 0.08,648 -0.021,649 -0.004,650 -0.064,651 -0.036,652 -0.055,653 -0.166,654 -0.025,655 -0.1,656 0.001,657 -0.172,658 -0.034,659 2.121,660 5.941,661 0.714,662 24.694,663 1.006,664 1.13,665 1.235,666 1.524,667 0.645,668 3.466,669 3.85,670 4.174,671 4.454,672 4.575,673 4.595,674 4.7,675 4.796,676 4.828,677 4.86,678 6.404,679 0.617,680 383.49,681 3.466,682 5.043,683 5.927,684 6.841,685 7.743,686 8.66,687 9.57,688 10.489,689 11.403,690 12.323,691 5.7,698 2,699 1,709 4,712 1,714 4,715 1,716 10,721 1,738 53,739 13,741 31,743 56,744 21,745 8,748 1,752 4,753 4,757 1,759 2,763 5,764 1,766 5,768 11,769 10,770 1,772 3,778 3,782 3,785 1,786 1,788 1,789 25,790 6,791 1,792 7,797 3,800 1,803 0.75,804 4,818 1,822 3,823 1,855 3,859 2,862 28,869 7,871 1,875 1,876 1,886 7.5,889 3,891 1,893 14.75,894 10.15,895 6.042,896 3.407,898 1.692,899 1.227,900 0.965,901 5.023,902 9.135,903 3.689,904 4.256,905 4.777,906 5.263,907 5.452,908 5.626,909 5.903,910 6.224,911 6.43,912 6.589,913 1,914 46,915 10.528,917 4.707,918 7.872,919 19.99,921 17.095,924 2.372,925 66.417,928 1,929 282.506,930 102.965,931 23.034,933 84.942,936 102.965,937 367.449,938 23.034,939 17.65,940 38.019,941 40.168,942 85.273,943 14.592,944 27.009,945 270.735,947 282.506,948 125.999,949 84.942,952 235.422,953 132.027,956 57.569,957 68.43,960 282.506,961 107.976,962 102.965,965 282.506,966 45.146,967 62.842,968 18.011,969 84.942,970 282.506,971 107.976,972 102.965,973 0.597,974 0.368,975 0.202,976 0.099,977 24,978 11,979 0.089,980 5,982 1.05,983 3.881,984 251.93,986 21,987 130.606,993 19.161,994 7.34,995 3.392,997 106.077,998 7.148,1001 5.405,1003 3.069,1004 2.001,1005 18.011,1006 493.447,1007 39,1013 38.26,1017 -0.935,1020 53.334,1021 59.9,1022 0.272,1023 0.6,1024 0.769,1025 0.845,1026 0.883,1027 0.883,1028 4.98,1029 1.546,1030 5.969,1031 4.699,1032 4.533,1033 4.942,1034 2.837,1035 6.889,1036 4.496,1037 6.202,1038 1.33,1039 7.607,1040 3.679,1041 4.369,1042 4.902,1043 2.029,1044 8.22,1045 4.308,1046 7.544,1047 1.045,1048 9.361,1049 3.237,1050 6.271,1051 7.08,1052 3.7,1053 11.335,1054 6.181,1055 8.924,1056 1,1057 11.186,1058 2.514,1059 6.957,1060 7.877,1061 3.571,1062 13.531,1063 6.84,1064 10.341,1065 0.618,1066 13.06,1067 2.23,1068 8.385,1069 9.554,1070 4.784,1071 16.268,1072 8.24,1073 11.782,1074 0.425,1075 14.968,1076 1.372,1077 9.416,1078 10.704,1079 5.026,1080 18.762,1081 9.243,1082 13.242,1083 0.155,1084 16.902,1085 1.1,1086 10.703,1087 12.21,1088 5.998,1089 21.418,1090 10.504,1091 3.584,1092 -0.216,1093 18.856,1094 0.384,1095 11.868,1096 13.513,1097 6.455,1098 24.012,1099 11.642,1100 3.204,1101 14.256,1102 20.825,1103 -0.543,1104 13.12,1105 14.961,1106 7.299,1107 26.656,1108 12.868,1109 2.651,1110 10.949,1111 22.808,1112 4.281,1113 14.337,1114 16.333,1115 7.875,1116 29.286,1117 14.059,1118 2.505,1119 8.844,1120 24.8,1121 3.817,1122 15.586,1123 17.765,1124 8.653,1125 31.933,1126 15.282,1127 2.26,1128 7.846,1129 26.801,1130 3.478,1131 16.826,1132 19.169,1133 9.293,1134 34.577,1135 16.497,1136 1.706,1137 6.713,1138 28.808,1139 3.041,1140 18.078,1141 20.599,1142 10.038,1143 37.227,1144 17.724,1145 1.671,1146 4.892,1147 30.821,1148 2.749,1149 19.329,1150 22.02,1151 10.713,1152 39.877,1153 18.95,1154 9227,1155 14759,1156 20.285,1157 34.211,1158 48.368,1159 49.788,1160 49.878,1161 47.431,1162 47.399,1163 58.156,1164 12.019,1165 145.433,1166 46.702,1167 5.671,1168 6.231,1169 7.445,1170 5.612,1171 5.584,1172 6.976,1173 3.523,1174 22.186,1175 5.495,1176 14.593,1177 1.56,1178 1.606,1179 1.609,1180 1.53,1181 1.529,1182 1.876,1183 0.388,1184 4.691,1185 1.507,1186 4.076,1187 4.113,1188 4.03,1189 3.94,1190 7.448,1191 3.957,1192 3.96,1193 4.003,1194 3.894,1195 3.812,1196 7.425,1197 3.82,1198 3.837,1199 3.849,1200 3.781,1201 3.693,1202 7.409,1203 3.71,1204 3.62,1205 3.675,1206 3.507,1207 3.407,1208 5.079,1209 3.43,1210 3.331,1211 3.372,1212 3.244,1213 3.13,1214 4.696,1215 3.146,1216 3.183,1217 3.277,1218 2.948,1219 3.005,1220 4.326,1221 2.981,1222 3.111,1223 3.206,1224 2.911,1225 2.941,1226 3.926,1227 2.91,1228 2.997,1229 3.091,1230 2.866,1231 2.821,1232 3.862,1233 2.805,1234 0.151,1235 0.136,1236 0.249,1237 0.147,1238 0.116,1239 4.671,1240 0.138,1241 4.231,1242 0.066,1243 7.713,1244 0.46,1245 4.56,1246 0.113,1247 3.584,1248 4.281,1249 2.04,1250 14.256,1251 3.495,1252 1.877,1253 1.829,1254 2.081,1255 2.024,1256 1.471,1257 2.044,1258 1.736,1259 1.698,1260 1.882,1261 1.931,1262 1.093,1263 1.917,1264 1.685,1265 1.648,1266 1.828,1267 1.854,1268 0.993,1269 1.838,1270 1.465,1271 1.421,1272 1.666,1273 1.645,1274 0.825,1275 1.637,1276 1.403,1277 1.356,1278 1.614,1279 1.588,1280 0.813,1281 1.611,1282 1.288,1283 1.264,1284 1.518,1285 1.56,1286 0.767,1287 1.538,1288 1.261,1289 1.205,1290 1.513,1291 1.516,1292 0.74,1293 1.505,1294 1.153,1295 1.064,1296 1.485,1297 1.376,1298 0.565,1299 1.429,1300 4.143,1302 5.509,1303 3.434,1304 7.062,1305 5.861,1306 8.701,1307 7.991,1308 10.388,1310 3.801,1315 4.524,1317 2.854,1321 1.09,1322 -0.8,1326 32.718,1327 82.49,1328 182.022,1329 233.341,1330 256.56,1331 268.07,1332 268.07,1333 67.753,1334 7.443,1335 84.55,1336 84.55,1337 21,1338 12.833,1339 3.807,1340 3.17,1341 42.456,1342 108,1343 99,1344 0.194,1345 198.512,1346 350.3,1347 476.13,1348 16600,1350 19.889,1351 0.71,1352 0.582,1353 19.889,1354 16.287,1355 13.41,1356 0.433,1357 0.315,1358 9.637,1359 12.834,1360 9.368,1361 7.731,1362 13.41,1363 9.776,1364 12.556,1365 0.273,1366 0.17,1367 12.556,1368 7.838,1369 11.098,1370 0.173,1371 0.094,1372 11.098,1373 6.023,1374 9.364,1375 0.11,1376 0.052,1377 9.364,1378 4.428,1379 6.862,1380 0.071,1381 0.031,1382 6.862,1383 2.94,1384 0.302,1385 84.558,1386 0.222,1387 26.58,1388 0.536,1389 154,1390 460.565,1391 172.124,1392 433.743,1393 586.26,1394 404,1395 187,1396 430.569,1397 206.153,1398 429.862,1399 635.16,1400 404,1401 4.356}
{0 CHEMBL1612858,1 1.675,2 7.8,3 1.767,4 3.123,5 93.734,6 8.205,7 0.571,8 3.857,9 3.981,10 3.518,11 3.342,12 5.057,13 3.363,14 4.372,15 4.555,16 3.917,17 3.749,18 5.52,19 3.764,20 4.521,21 4.668,22 4.011,23 3.911,24 5.747,25 3.909,26 4.728,27 4.904,28 4.044,29 3.974,30 6.049,31 3.958,32 4.695,33 4.898,34 3.993,35 3.946,36 5.832,37 3.916,38 4.68,39 4.882,40 3.952,41 3.898,42 5.888,43 3.877,44 4.676,45 4.89,46 3.801,47 3.818,48 5.934,49 3.767,50 4.549,51 4.825,52 3.226,53 3.5,54 5.674,55 3.356,56 0.103,57 0.694,58 6.958,59 3.135,60 6.245,61 3.951,62 0.419,63 1.078,64 14.687,65 4.824,66 16.246,67 6.522,68 0.256,69 1.217,70 15.301,71 6.603,72 17.051,73 8.169,74 0.676,75 1.344,76 22.38,77 7.752,78 84.857,79 9.682,80 0.451,81 1.352,82 21.609,83 7.461,84 33.335,85 10.185,86 0.519,87 1.305,88 21.743,89 6.983,90 42.914,91 9.196,92 0.551,93 1.239,94 22.123,95 7.056,96 52.988,97 9.454,98 0.524,99 0.938,100 23.092,101 6.89,102 63.726,103 10.029,104 26,105 42,106 0.291,107 0.634,108 0.76,109 0.786,110 0.811,111 0.811,112 3.269,113 0.827,114 -4.43,115 -4.36,116 -4.11,120 41.5,121 1,125 2,143 4,144 3,145 1,152 1,153 1,159 1,160 1,161 2,167 2,174 7,176 6,177 5,185 9,188 3,189 4,197 7,200 5,201 8,209 3,213 3,214 13,222 1,226 3,227 13,235 1,239 4,240 10,251 2,252 7,264 3,274 872,275 16.69,276 16.69,277 16.69,278 16.69,279 16.69,280 14.648,281 13.852,282 9.447,283 17.041,284 13.737,285 13.737,286 13.737,287 13.737,288 13.737,289 10.465,290 16.008,291 4.45,292 14.258,293 3.683,294 1.712,295 0.982,296 0.836,297 0.689,298 0.689,299 3.957,305 1,306 1,307 1,308 422,309 2.345,312 103.121,313 127.24,316 92.525,320 1.04,321 25.594,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 55,333 195,334 4.767,335 3.981,336 7.224,337 4.418,338 3.449,339 4.493,340 1.761,341 12.764,342 3.342,343 4.223,344 3.424,345 6.577,346 3.911,347 2.959,348 3.643,349 1.083,350 10.21,351 2.817,352 3.994,353 3.175,354 5.973,355 3.569,356 2.598,357 3.589,358 0.526,359 8.247,360 2.521,361 3.755,362 2.666,363 5.858,364 3.355,365 2.372,366 3.143,367 0.064,368 7.656,369 2.321,370 3.576,371 2.605,372 5.642,373 3.279,374 2.33,375 2.787,377 7.163,378 2.201,379 3.409,380 2.333,381 5.033,382 3.043,383 2.041,384 2.659,386 5.922,387 2.038,388 3.05,389 1.756,390 4.588,391 2.578,392 1.633,393 2.248,395 4.434,396 1.538,397 2.513,398 1.661,399 4.272,400 2.027,401 1.035,402 1.5,404 3.092,405 1.02,406 2.5,407 1.449,408 3.7,409 2,410 1,411 1.471,413 2.275,414 1,415 2.271,416 1,417 3.414,418 1.817,419 0.867,420 1.181,422 2.13,423 0.82,424 2.118,425 0.971,426 3.397,427 1.518,428 0.618,429 0.927,431 1.372,432 0.556,433 1.93,434 0.795,435 3.135,436 1.487,437 0.491,438 0.66,440 1.258,441 0.482,442 1.733,443 0.618,444 3,445 1.288,446 0.262,447 0.336,449 0.592,450 0.263,451 1.16,452 0.101,453 2.565,454 0.828,455 -0.177,456 -0.225,458 -0.399,459 -0.178,460 0.546,461 -0.357,462 2.282,463 0.22,464 -0.789,465 -0.967,467 -2.208,468 -0.787,469 11.567,470 0.463,471 0.772,472 0.031,473 35,474 1.4,475 17.5,476 0.7,477 17.5,478 0.7,479 18.378,480 0.735,481 26.233,482 0.64,483 27.814,484 1.113,485 7.159,486 0.286,487 4.827,488 0.193,489 0.187,491 0.441,496 0.637,497 1.479,498 0.655,499 1.162,500 0.51,501 0.955,502 0.699,503 0.82,504 0.655,505 0.602,506 0.534,507 0.594,508 0.876,509 1.199,510 0.872,511 1.219,512 0.869,513 1.076,514 1.231,515 1.006,516 1.044,517 0.983,518 1.457,519 0.993,520 0.855,521 1.167,522 0.921,523 1.074,524 0.774,525 1.019,526 1.176,527 1.042,528 1.036,529 0.975,530 1.1,531 0.973,532 1.129,533 1.067,534 1.202,535 1.156,536 1.1,537 1.186,538 0.981,539 0.929,540 1.196,541 1.121,542 1.054,543 1.193,544 4.5,546 3.556,547 2.222,548 2.434,549 1.285,550 0.847,551 0.617,552 0.261,553 0.076,554 5954,555 17691,556 2.081,557 39,558 3,559 10,560 1,561 2,567 1.692,568 1.899,569 2.903,570 -0.672,571 1,572 1,574 1,575 68.663,576 1.675,577 3.646,578 4.375,579 4.522,580 4.668,581 4.668,582 2.347,583 4.244,584 4.614,585 3.048,586 914.332,587 8.045,588 10547.3,589 1,590 1,592 1,593 219.66,594 1.516,595 4.552,596 0.161,598 0.085,599 0.049,600 0.054,601 0.03,602 0.021,603 0.019,604 0.016,605 0.013,606 0.447,607 0.33,608 1,609 0.65,610 115.799,611 0.058,612 -0.281,613 0.085,614 -0.175,615 -0.031,616 -0.073,617 0.155,618 0.319,619 0.215,620 0.333,621 0.05,622 0.299,623 -0.015,624 -0.103,625 -0.053,626 -0.208,627 -0.013,628 -0.149,629 -0.021,630 -0.011,631 -0.101,632 0.001,633 -0.038,634 -0.061,635 0.015,636 -0.153,637 0.009,638 -0.095,639 0.014,640 -0.053,641 -0.134,642 -0.028,643 -0.084,644 -0.021,645 -0.069,646 -0.037,647 -0.081,648 -0.083,649 -0.226,650 -0.206,651 -0.025,652 -0.238,653 -0.001,654 -0.101,655 -0.09,656 -0.136,657 0.002,658 -0.131,659 2.033,660 5.841,661 0.8,662 17.965,663 1.017,664 1.134,665 3.197,666 10.219,667 0.677,668 3.367,669 3.761,670 4.127,671 4.454,672 4.736,673 4.956,674 5.118,675 5.273,676 5.288,677 5.17,678 4.864,679 0.663,680 336.39,681 3.367,682 4.949,683 5.849,684 6.772,685 7.698,686 8.632,687 9.568,688 10.509,689 11.451,690 12.395,691 14.6,698 2,699 2,701 2,709 7,710 2,714 5,715 2,716 16,738 41,739 18,740 1,741 28,743 44,744 17,745 12,746 2,747 4,748 1,752 4,753 5,757 1,759 1,768 14,769 3,772 2,778 2,782 2,785 1,786 1,789 16,790 6,792 8,797 6,800 1,803 0.75,804 2,818 1,822 2,823 2,826 1,855 3,859 3,862 25,875 2,883 1,886 4.9,889 2,893 13.167,894 8.617,895 5.361,896 2.286,898 2.673,899 1.36,900 1.007,901 3.564,902 10.098,903 3.664,904 4.304,905 4.956,906 5.583,907 6.077,908 6.557,909 7,910 7.437,911 7.737,912 7.876,913 1,914 45,915 9.227,917 4.026,918 7.887,919 17.232,921 14.16,924 2.387,925 59.667,929 188.338,930 113.858,931 43.128,933 50.29,936 113.858,937 238.627,938 43.128,939 25.618,940 6.249,941 46.952,942 129.1,943 15.867,944 18.804,945 153.024,947 188.338,948 156.986,949 50.29,952 188.338,953 50.29,956 35.864,957 87.796,958 33.326,960 188.338,961 93.418,962 113.858,965 188.338,966 24.051,967 99.609,969 83.616,970 188.338,971 93.418,972 113.858,973 0.6,974 0.372,975 0.202,976 0.113,977 23,978 11,979 0.045,980 2,981 1,982 1.1,983 3.473,984 230.138,985 0.1,986 20,987 108.096,993 15.756,994 5.655,995 2.32,997 89.864,998 12.703,999 7.676,1003 3.7,1004 3.44,1006 395.614,1007 38,1013 25.118,1017 -0.7,1020 41.683,1021 46.485,1022 0.313,1023 0.681,1024 0.817,1025 0.844,1026 0.871,1027 0.871,1028 4.934,1029 1.035,1030 5.878,1031 4.434,1032 4.443,1033 4.99,1034 2.197,1035 6.79,1036 4.373,1037 6.174,1038 1,1039 7.506,1040 3.092,1041 4.205,1042 4.879,1043 1.404,1044 7.883,1045 4.104,1046 7.51,1047 0.867,1048 9.236,1049 2.275,1050 6.133,1051 7.214,1052 2.804,1053 11.073,1054 5.992,1055 8.885,1056 0.618,1057 11.025,1058 2.13,1059 6.723,1060 7.949,1061 2.647,1062 13,1063 6.547,1064 10.294,1065 0.491,1066 12.85,1067 1.372,1068 8.15,1069 9.744,1070 3.665,1071 15.743,1072 7.939,1073 11.727,1074 0.262,1075 14.702,1076 1.258,1077 9.091,1078 10.866,1079 3.851,1080 18.02,1081 8.845,1082 13.179,1083 -0.177,1084 16.573,1085 0.592,1086 10.359,1087 12.462,1088 4.661,1089 20.621,1090 10.081,1091 3.449,1092 -0.789,1093 18.46,1094 -0.399,1095 11.456,1096 13.774,1097 5.029,1098 23.05,1099 11.144,1100 2.959,1101 12.764,1102 20.359,1103 -2.208,1104 12.678,1105 15.296,1106 5.726,1107 25.605,1108 12.335,1109 2.598,1110 10.21,1111 22.268,1112 4.493,1113 13.844,1114 16.701,1115 6.188,1116 28.098,1117 13.469,1118 2.372,1119 8.247,1120 24.186,1121 3.643,1122 15.058,1123 18.199,1124 6.825,1125 30.64,1126 14.652,1127 2.33,1128 7.656,1129 26.111,1130 3.589,1131 16.255,1132 19.649,1133 7.336,1134 33.161,1135 15.819,1136 2.041,1137 7.163,1138 28.043,1139 3.143,1140 17.472,1141 21.141,1142 7.94,1143 35.701,1144 17.006,1145 1.633,1146 5.922,1147 29.981,1148 2.787,1149 18.686,1150 22.615,1151 8.477,1152 38.235,1153 18.189,1154 5775,1155 10103,1156 18.323,1157 27.75,1158 44.393,1159 45.553,1160 45.63,1161 43.326,1162 43.309,1163 57.273,1164 6.869,1165 134.232,1166 41.838,1167 5.715,1168 5.981,1169 6.819,1170 5.491,1171 5.449,1172 7.493,1173 3.071,1174 20.764,1175 5.342,1176 13.6,1177 1.585,1178 1.627,1179 1.63,1180 1.547,1181 1.547,1182 2.045,1183 0.245,1184 4.794,1185 1.494,1186 4.131,1187 4.177,1188 4.108,1189 3.996,1190 7.444,1191 4.014,1192 3.854,1193 3.898,1194 3.79,1195 3.746,1196 7.411,1197 3.755,1198 3.775,1199 3.837,1200 3.741,1201 3.488,1202 5.137,1203 3.545,1204 3.451,1205 3.514,1206 3.388,1207 3.219,1208 4.789,1209 3.251,1210 3.281,1211 3.367,1212 3.152,1213 3.038,1214 4.557,1215 3.044,1216 3.112,1217 3.196,1218 2.933,1219 2.94,1220 4.059,1221 2.93,1222 2.889,1223 2.944,1224 2.742,1225 2.735,1226 3.913,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.607,1232 3.81,1233 2.626,1234 0.17,1235 0.142,1236 0.258,1237 0.158,1238 0.123,1239 4.767,1240 0.16,1241 3.981,1242 0.063,1243 7.224,1244 0.456,1245 4.418,1246 0.119,1247 3.449,1248 4.493,1249 1.761,1250 12.764,1251 3.342,1252 1.944,1253 1.92,1254 2.051,1255 2.037,1256 1.175,1257 2.038,1258 1.724,1259 1.69,1260 1.83,1261 1.953,1262 0.945,1263 1.914,1264 1.578,1265 1.509,1266 1.685,1267 1.844,1268 0.801,1269 1.806,1270 1.263,1271 1.195,1272 1.596,1273 1.539,1274 0.663,1275 1.561,1276 1.239,1277 1.151,1278 1.522,1279 1.445,1280 0.593,1281 1.475,1282 1.096,1283 1.028,1284 1.381,1285 1.442,1286 0.486,1287 1.379,1288 1.078,1289 0.982,1290 1.219,1291 1.31,1292 0.257,1293 1.337,1294 0.953,1295 0.873,1296 1.185,1297 1.194,1298 0.218,1299 1.2,1300 4.043,1302 5.416,1303 3.045,1304 6.987,1305 5.352,1306 8.656,1307 7.466,1308 10.382,1310 5.141,1321 2.589,1326 27.192,1327 68.663,1328 149.479,1329 179.395,1330 185.395,1331 191.395,1332 191.395,1333 41.387,1334 7.425,1335 79.64,1336 79.64,1337 22,1338 12.888,1339 4.248,1340 3.459,1341 35.416,1342 70,1343 85,1344 0.25,1345 166.678,1346 280.34,1347 398.455,1348 14037,1350 17.715,1351 0.709,1352 0.562,1353 17.715,1354 14.041,1355 11.986,1356 0.428,1357 0.276,1358 7.557,1359 11.337,1360 7.294,1361 6.106,1362 11.986,1363 7.722,1364 11.219,1365 0.267,1366 0.143,1367 11.219,1368 5.996,1369 10.358,1370 0.17,1371 0.072,1372 10.358,1373 4.401,1374 8.43,1375 0.099,1376 0.035,1377 8.43,1378 3.005,1379 6.794,1380 0.06,1381 0.018,1382 6.794,1383 2.058,1384 0.367,1385 76.428,1386 0.234,1387 23.231,1388 0.776,1389 140,1390 445.342,1391 157.473,1392 429.308,1393 593.77,1394 400,1395 173,1396 456.591,1397 193.499,1398 460.36,1399 677.37,1400 429,1401 4.871}
{0 CHEMBL1612880,1 1.532,2 11.833,3 4.658,4 21.695,5 136.315,6 7.502,7 0.55,8 4.284,9 4.386,10 3.863,11 3.792,12 5.373,13 3.791,14 4.83,15 4.985,16 4.207,17 4.154,18 5.896,19 4.144,20 5.035,21 5.226,22 4.284,23 4.282,24 6.07,25 4.251,26 5.011,27 5.174,28 4.338,29 4.347,30 6.094,31 4.311,32 5.171,33 5.352,34 4.416,35 4.423,36 6.295,37 4.38,38 5.246,39 5.436,40 4.405,41 4.436,42 6.338,43 4.388,44 5.27,45 5.47,46 4.341,47 4.442,48 6.301,49 4.377,50 5.302,51 5.53,52 4.229,53 4.427,54 6.265,55 4.327,56 0.049,57 0.905,58 13.171,59 6.106,60 8.318,61 7.535,62 0.381,63 1.451,64 26.21,65 9.75,66 32.728,67 12.287,68 0.739,69 1.729,70 34.407,71 11.699,72 49.426,73 15.26,74 0.378,75 1.769,76 30.88,77 12.175,78 33.054,79 15.801,80 0.691,81 1.991,82 38.105,83 14.238,84 67.122,85 18.51,86 0.942,87 2.08,88 42.541,89 14.68,90 80.925,91 19.099,92 0.813,93 2.104,94 44.03,95 15.399,96 72.108,97 20.038,98 0.789,99 2.106,100 47.007,101 16.74,102 82.149,103 22.32,104 18,105 55,106 0.242,107 0.574,108 0.727,109 0.82,110 0.835,111 0.839,112 3.616,113 0.914,114 -2.86,115 -2.87,116 -2.78,120 43.1,121 2,126 6,143 9,144 2,145 4,147 2,152 1,153 1,159 1,174 7,177 11,180 1,182 2,185 6,188 3,189 10,192 1,194 3,197 7,200 1,201 5,204 1,206 1,209 8,213 3,214 8,217 2,219 3,222 9,226 3,227 9,230 1,232 3,235 7,239 2,240 10,245 1,247 7,251 1,252 9,255 1,260 8,263 2,264 7,271 7,274 2350,275 25.085,276 25.085,277 25.085,278 25.085,279 25.085,280 22.476,281 25.221,282 15.24,283 25.852,284 19.754,285 19.754,286 19.754,287 19.754,288 19.754,289 15.646,290 35.737,291 7.11,292 20.791,293 4.49,294 2.382,295 1.416,296 0.823,297 0.731,298 0.7,299 4.324,307 1,308 934,309 3.606,312 85.796,313 434.94,317 166.923,320 1.639,321 36.228,324 1,325 0.83,326 1,327 0.8,328 0.5,329 1,330 1,331 0.88,332 78.5,333 426,334 4.608,335 3.621,336 6.71,337 4.175,338 3.188,339 4.527,340 1.058,341 10.909,342 3.149,343 4.441,344 3.353,345 6.574,346 4.06,347 3.106,348 4.106,349 0.86,350 10.495,351 2.955,352 4.105,353 3.009,354 6.108,355 3.729,356 2.744,357 3.703,358 0.86,359 8.928,360 2.709,361 3.929,362 2.923,363 6.058,364 3.605,365 2.656,366 3.298,367 0.86,368 8.741,369 2.512,370 3.735,371 2.667,372 5.643,373 3.34,374 2.354,375 3.116,376 0.8,377 7.339,378 2.306,379 3.341,380 2.655,381 5.233,382 3.085,383 2.177,384 2.678,386 6.346,387 1.968,388 3.295,389 2.211,390 4.67,391 2.791,392 1.809,393 2.486,395 4.895,396 1.775,397 3.055,398 2.005,399 4.555,400 2.68,401 1.744,402 2.199,404 4.71,405 1.629,406 2.892,407 1.857,408 4.343,409 2.465,410 1.527,411 2.08,413 3.932,414 1.435,415 2.867,416 1.79,417 3.889,418 2.394,419 1.402,420 1.945,422 3.15,423 1.39,424 2.479,425 1.54,426 3.65,427 2.267,428 1.34,429 1.477,431 2.983,432 1.214,433 2.398,434 1.401,435 3.543,436 2.004,437 1.108,438 1.336,440 2.379,441 0.983,442 2.201,443 1.333,444 3.447,445 1.952,446 1,447 1.183,449 2.249,450 0.946,451 2.18,452 1.256,453 3.247,454 1.927,455 1,456 1.076,458 2.136,459 0.92,460 2.118,461 1.015,462 3.234,463 1.918,464 0.921,465 1.005,467 1.736,468 0.912,469 16.867,470 0.469,471 0.671,472 0.019,473 47.5,474 1.319,475 23.5,476 0.653,477 24,478 0.667,479 32.486,480 0.902,481 38.933,482 0.599,483 40.227,484 1.117,485 9.492,486 0.264,487 8.182,488 0.227,489 0.079,491 0.32,496 0.842,497 1.355,498 0.759,499 1.174,500 0.671,501 0.984,502 1.237,503 1.133,504 0.903,505 0.96,506 0.788,507 0.881,508 1.221,509 0.868,510 0.931,511 0.755,512 0.996,513 0.779,514 0.924,515 1.214,516 0.935,517 1.115,518 1.092,519 1.038,520 0.95,521 1.072,522 0.945,523 1.067,524 1.19,525 1.012,526 1.159,527 1.01,528 1.054,529 0.992,530 1.23,531 0.993,532 1.24,533 1.004,534 1.107,535 1.01,536 1.321,537 1.026,538 1.101,539 0.93,540 1.056,541 0.988,542 1.385,543 1.014,544 5.5,545 0.247,546 3.778,547 1.965,548 2.352,549 1.562,550 0.937,551 0.63,552 0.467,553 0.324,554 18635,555 47797,556 2.137,557 44.6,559 21,560 1,562 1,564 6,567 1.781,568 2.038,569 3.539,570 -0.383,575 99.602,576 1.532,577 3.641,578 4.606,579 5.199,580 5.291,581 5.322,582 2.906,583 4.517,584 5.144,585 3.69,586 2324.96,587 9.079,588 36163,593 391.454,594 1.256,595 5.118,596 0.138,597 0.006,598 0.069,599 0.033,600 0.038,601 0.024,602 0.015,603 0.011,604 0.009,605 0.007,606 0.349,607 0.33,608 0.75,609 0.906,610 193.71,611 -0.031,612 -0.2,613 0.073,614 -0.112,615 -0.043,616 -0.018,617 -0.112,618 -0.052,619 0.04,620 0.033,621 0.012,622 0.058,623 -0.061,624 0.183,625 0.056,626 0.208,627 -0.017,628 0.16,629 -0.017,630 -0.127,631 -0.023,632 -0.108,633 -0.019,634 -0.074,635 0.086,636 -0.029,637 0.011,638 -0.077,639 0.097,640 -0.051,641 0.022,642 0.015,643 -0.063,644 -0.025,645 0.054,646 -0.049,647 -0.102,648 -0.003,649 -0.114,650 -0.037,651 -0.063,652 -0.068,653 -0.075,654 0.016,655 -0.052,656 -0.003,657 -0.106,658 -0.021,659 1.941,660 6.669,661 0.75,662 36.5,663 1.007,664 1.122,665 1.635,666 2.673,667 0.664,668 3.714,669 4.025,670 4.344,671 4.654,672 4.92,673 5.05,674 5.226,675 5.342,676 5.425,677 5.468,678 7.172,679 0.638,680 487.6,681 3.714,682 5.252,683 6.116,684 7.002,685 7.889,686 8.785,687 9.68,688 10.579,689 11.478,690 12.379,691 4.6,697 1,698 1,701 1,708 2,709 10,710 1,712 1,714 7,716 22,723 1,732 1,735 2,738 65,739 23,740 2,741 40,743 69,744 28,745 19,746 6,747 6,748 1,752 5,753 6,759 2,768 20,769 8,772 1,778 1,782 1,788 1,789 29,790 8,791 1,792 8,797 3,803 0.8,804 5,816 1,822 1,823 4,827 1,854 1,855 4,859 2,862 36,869 6,871 1,872 3,875 1,886 7.7,889 1,890 1,891 3,893 17.667,894 12.317,895 8.111,896 4.211,898 4.022,899 1.487,900 0.99,901 7.634,902 12.282,903 3.97,904 4.567,905 5.202,906 5.833,907 6.397,908 6.779,909 7.234,910 7.639,911 8.009,912 8.226,913 0.875,914 59,915 13.354,917 5.662,918 7.671,919 25.563,921 20.753,924 2.171,925 78.167,929 329.591,930 174.07,931 37.921,933 67.652,936 174.07,937 397.243,938 37.921,939 17.65,940 40.592,941 97.026,942 57.635,943 61.291,944 17.22,945 317.82,947 329.591,948 211.991,949 67.652,952 258.964,953 127.279,954 11,956 63.143,957 132.062,958 16.786,960 329.591,961 105.573,962 174.07,965 329.591,966 59.394,967 117.8,968 18.011,969 84.437,970 329.591,971 105.573,972 174.07,973 0.565,974 0.34,975 0.203,976 0.117,977 26,978 11,979 0.116,980 8,981 1,982 1.074,983 4.521,984 361.507,985 0.074,986 27,987 182.117,993 24.473,994 11.229,995 5.326,996 1.456,997 105.573,998 18.305,999 4.682,1001 5.542,1003 4.419,1005 18.011,1006 609.234,1007 52,1013 13.669,1017 -0.274,1020 65.429,1021 72.94,1022 0.254,1023 0.605,1024 0.765,1025 0.863,1026 0.879,1027 0.884,1028 5.201,1029 1.744,1030 6.084,1031 4.895,1032 4.71,1033 5.255,1034 2.156,1035 6.913,1036 4.626,1037 6.394,1038 1.527,1039 7.645,1040 4.71,1041 4.205,1042 5.037,1043 0.325,1044 7.832,1045 4.112,1046 7.7,1047 1.402,1048 9.312,1049 3.932,1050 6.304,1051 7.479,1052 1.981,1053 10.978,1054 6.159,1055 9.048,1056 1.34,1057 11.043,1058 3.15,1059 6.686,1060 8.157,1061 0.268,1062 12.742,1063 6.535,1064 10.432,1065 1.108,1066 12.814,1067 2.983,1068 8.199,1069 10.028,1070 1.873,1071 15.378,1072 8.006,1073 11.843,1074 1,1075 14.613,1076 2.379,1077 8.987,1078 11.119,1079 0.188,1080 17.48,1081 8.782,1082 13.272,1083 1,1084 16.43,1085 2.249,1086 10.266,1087 12.761,1088 1.81,1089 19.94,1090 10.029,1091 3.188,1092 0.921,1093 18.26,1094 2.136,1095 11.242,1096 14.053,1097 0.125,1098 22.187,1099 10.989,1100 3.106,1101 10.909,1102 20.1,1103 1.736,1104 12.428,1105 15.6,1106 1.785,1107 24.584,1108 12.149,1109 2.744,1110 10.495,1111 21.947,1112 4.527,1113 13.491,1114 16.991,1115 0.082,1116 26.896,1117 13.193,1118 2.656,1119 8.928,1120 23.801,1121 4.106,1122 14.643,1123 18.5,1124 1.792,1125 29.271,1126 14.323,1127 2.354,1128 8.741,1129 25.659,1130 3.703,1131 15.746,1132 19.94,1133 0.054,1134 31.614,1135 15.407,1136 2.177,1137 7.339,1138 27.522,1139 3.298,1140 16.887,1141 21.435,1142 1.823,1143 33.984,1144 16.527,1145 1.809,1146 6.346,1147 29.388,1148 3.116,1149 18.01,1150 22.901,1151 0.035,1152 36.341,1153 17.631,1154 17474,1155 28190,1156 27.334,1157 43.188,1158 59.695,1159 61.068,1160 60.868,1161 59.404,1162 59.393,1163 76.992,1164 8.877,1165 169.22,1166 56.773,1167 5.608,1168 5.621,1169 6.512,1170 5.278,1171 5.188,1172 7.527,1173 2.117,1174 18.108,1175 5.149,1176 13.852,1177 1.492,1178 1.527,1179 1.522,1180 1.485,1181 1.485,1182 1.925,1183 0.222,1184 4.231,1185 1.419,1186 4.114,1187 4.135,1188 4.084,1189 4.034,1190 7.429,1191 4.042,1192 3.967,1193 3.993,1194 3.925,1195 3.854,1196 5.127,1197 3.868,1198 3.84,1199 3.849,1200 3.786,1201 3.705,1202 4.909,1203 3.721,1204 3.701,1205 3.748,1206 3.591,1207 3.489,1208 4.876,1209 3.505,1210 3.509,1211 3.565,1212 3.424,1213 3.363,1214 4.611,1215 3.369,1216 3.489,1217 3.537,1218 3.331,1219 3.279,1220 4.558,1221 3.277,1222 3.406,1223 3.47,1224 3.212,1225 3.229,1226 4.318,1227 3.211,1228 3.209,1229 3.256,1230 3.14,1231 2.997,1232 4.198,1233 3.03,1234 0.115,1235 0.091,1236 0.168,1237 0.104,1238 0.08,1239 4.608,1240 0.113,1241 3.621,1242 0.026,1243 6.71,1244 0.273,1245 4.175,1246 0.079,1247 3.188,1248 4.527,1249 1.058,1250 10.909,1251 3.149,1252 2.048,1253 2.029,1254 2.111,1255 2.133,1256 1.245,1257 2.126,1258 1.903,1259 1.882,1260 2.001,1261 2.051,1262 1.23,1263 2.037,1264 1.638,1265 1.587,1266 1.853,1267 1.872,1268 1.039,1269 1.865,1270 1.57,1271 1.543,1272 1.801,1273 1.732,1274 0.939,1275 1.755,1276 1.479,1277 1.411,1278 1.749,1279 1.691,1280 0.903,1281 1.704,1282 1.439,1283 1.392,1284 1.699,1285 1.655,1286 0.825,1287 1.674,1288 1.414,1289 1.348,1290 1.591,1291 1.586,1292 0.783,1293 1.588,1294 1.253,1295 1.243,1296 1.513,1297 1.507,1298 0.622,1299 1.461,1300 4.394,1302 5.707,1303 2.398,1304 7.228,1305 4.443,1306 8.85,1307 6.293,1308 10.528,1310 3.861,1315 3.786,1317 3.06,1318 17.444,1321 2.217,1326 41.487,1327 99.602,1328 236.647,1329 299.415,1330 337.944,1331 343.944,1332 345.944,1333 61.326,1334 8.261,1335 86.06,1336 86.06,1337 29,1338 12.901,1339 4.585,1340 3.7,1341 54.098,1342 156,1343 150,1344 0.168,1345 250.552,1346 435.47,1347 603.106,1348 46769,1350 24.907,1351 0.692,1352 0.568,1353 24.907,1354 20.452,1355 17.673,1356 0.442,1357 0.305,1358 11.978,1359 16.811,1360 11.733,1361 9.661,1362 17.673,1363 12.189,1364 15.252,1365 0.277,1366 0.151,1367 15.252,1368 8.285,1369 13.197,1370 0.174,1371 0.079,1372 13.197,1373 5.995,1374 11.568,1375 0.111,1376 0.042,1377 11.568,1378 4.348,1379 9.58,1380 0.07,1381 0.022,1382 9.58,1383 2.967,1384 0.26,1385 111.734,1386 0.191,1387 32.462,1388 0.472,1389 190,1390 590.301,1391 212.244,1392 550.143,1393 763.03,1394 522,1395 226,1396 567.433,1397 248.72,1398 564.056,1399 836.9,1400 535,1401 5.917}
{0 CHEMBL1613090,1 1.473,2 8.95,3 3.368,4 11.346,5 77.029,6 7.334,7 0.571,8 3.691,9 3.797,10 3.224,11 3.226,12 4.869,13 3.207,14 4.163,15 4.318,16 3.539,17 3.549,18 5.319,19 3.513,20 4.37,21 4.529,22 3.555,23 3.626,24 5.615,25 3.566,26 4.422,27 4.656,28 3.364,29 3.517,30 5.464,31 3.423,32 4.291,33 4.508,34 3.33,35 3.358,36 5.558,37 3.302,38 4.193,39 4.39,40 3.192,41 3.233,42 5.478,43 3.185,44 4.076,45 4.314,46 3.017,47 3.131,48 5.197,49 3.057,50 3.879,51 4.09,52 2.887,53 3.079,54 4.996,55 3.008,56 0.041,57 0.481,58 7.579,59 3.521,60 8.749,61 4.359,62 0.134,63 0.733,64 13.291,65 5.574,66 18.075,67 7.175,68 0.385,69 0.867,70 17.161,71 6.4,72 44.318,73 8.19,74 0.219,75 0.87,76 19.413,77 6.859,78 35.13,79 9.312,80 0.325,81 0.748,82 17.197,83 5.625,84 53.922,85 7.466,86 0.383,87 0.652,88 15.797,89 4.961,90 57.323,91 6.243,92 0.229,93 0.588,94 14.201,95 4.661,96 40.004,97 6.204,98 0.241,99 0.501,100 11.342,101 3.775,102 32.794,103 4.832,104 17,105 28,106 0.268,107 0.608,108 0.726,109 0.833,110 0.862,111 0.892,112 3.056,113 0.905,114 -3.74,115 -3.7,116 -3.52,120 43.2,121 2,126 1,143 7,144 2,145 3,159 1,174 9,177 2,180 1,182 2,185 10,188 1,189 2,192 1,193 1,194 4,197 5,201 3,206 3,209 1,214 5,217 1,219 3,227 6,230 1,232 2,240 4,245 2,247 2,257 2,260 6,269 2,271 10,274 496,275 13.085,276 13.085,277 13.085,278 13.085,279 13.085,280 11.326,281 16.044,282 7.836,283 13.263,284 10.36,285 10.36,286 10.36,287 10.36,288 10.36,289 7.775,290 19.369,291 3.768,292 10.661,293 3.736,294 1.873,295 1.221,296 0.635,297 0.473,298 0.311,299 3.713,305 1,306 1,307 1,308 370,309 2.915,313 145.375,320 1.365,321 20.912,322 1,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 43.5,333 179,334 4.249,335 3.627,336 6.092,337 3.853,338 2.885,339 3.89,340 2.03,341 8.863,342 2.79,343 4.045,344 2.997,345 5.51,346 3.627,347 2.66,348 3.648,349 0.892,350 7.458,351 2.575,352 3.634,353 2.897,354 5.03,355 3.3,356 2.299,357 2.874,358 0.141,359 6.076,360 2.288,361 3.408,362 2.355,363 4.899,364 3.041,365 2.063,366 2.682,368 5.578,369 2.01,370 3.275,371 2.341,372 4.722,373 2.897,374 1.927,375 2.515,377 5.222,378 1.854,379 2.819,380 1.694,381 4.136,382 2.389,383 1.414,384 1.936,386 3.696,387 1.373,388 2.671,389 1.459,390 3.486,391 2.195,392 1.202,393 1.748,395 2.618,396 1.191,397 1.798,398 1.163,399 3.164,400 1.498,401 0.594,402 0.682,404 1.405,405 0.529,406 1.517,407 0.671,408 2.704,409 1.169,410 0.221,411 0.269,413 0.485,414 0.206,415 1,416 0.351,417 2.367,418 0.663,419 -0.318,420 -0.385,422 -0.802,423 -0.308,424 0.946,425 -0.038,426 2.188,427 0.595,428 -0.406,429 -0.512,431 -0.921,432 -0.405,433 0.726,434 -0.135,435 2,436 0.33,437 -0.653,438 -0.83,440 -1.689,441 -0.626,442 0.481,443 -0.462,444 1.814,445 0.016,446 -1,447 -1.164,449 -2.323,450 -0.932,451 0.197,452 -0.669,453 1.493,454 -0.056,455 -1,456 -1.416,458 -2.803,459 -1.008,460 0.093,461 -0.923,462 1.327,463 -0.2,464 -1.193,465 -1.651,467 -3.304,468 -1.192,469 9.4,470 0.47,471 0.544,472 0.027,473 27,474 1.35,475 15,476 0.75,477 12,478 0.6,479 12.985,480 0.649,481 21.8,482 0.589,483 18.382,484 0.919,485 5.626,486 0.281,487 3.915,488 0.196,489 0.177,491 0.319,496 0.852,497 1.142,498 0.831,499 1.045,500 0.78,501 0.948,502 0.812,503 1.123,504 0.801,505 1.04,506 0.599,507 0.942,508 1.071,509 1.169,510 1.187,511 1.179,512 1.117,513 1.2,514 1.026,515 1.105,516 0.965,517 1.062,518 0.911,519 1.011,520 1.226,521 1.009,522 0.981,523 0.974,524 1.013,525 0.93,526 1.689,527 0.978,528 1.195,529 0.938,530 2.005,531 0.969,532 1.354,533 0.86,534 0.944,535 0.802,536 1.479,537 0.799,538 1.58,539 0.557,540 1.155,541 0.604,542 1.442,543 0.758,544 5,545 0.078,546 2,547 1.188,548 1.196,549 0.375,550 0.305,551 0.177,552 0.132,553 0.121,554 3869,555 10566,556 1.966,557 45.9,558 6,559 9,562 2,567 1.613,568 1.818,569 3.176,570 0.311,572 1,574 1,575 54.508,576 1.473,577 3.336,578 3.989,579 4.574,580 4.736,581 4.898,582 2.504,583 3.684,584 4.299,585 3.34,586 634.624,587 7.317,588 6790.13,589 1,590 1,591 1,592 1,593 192.75,594 1.485,595 4.237,596 0.238,597 0.008,598 0.071,599 0.046,600 0.057,601 0.019,602 0.018,603 0.012,604 0.009,605 0.009,606 0.487,607 0.67,608 1,609 0.68,610 90.286,611 -0.078,612 -0.005,613 0.009,614 0.018,615 -0.123,616 0.029,617 0.05,618 -0.064,619 0.101,620 -0.017,621 0.057,622 0.036,623 0.084,624 -0.118,625 -0.237,626 -0.206,627 -0.053,628 -0.273,629 -0.052,630 -0.151,631 0.025,632 -0.109,633 -0.027,634 -0.04,635 0.028,636 -0.039,637 0.047,638 -0.047,639 0.204,640 0.001,641 -0.114,642 -0.03,643 -0.132,644 -0.02,645 -0.177,646 -0.069,647 -0.142,648 0.065,649 0.096,650 0.134,651 -0.104,652 0.154,653 -0.328,654 0.441,655 -0.142,656 0.342,657 -0.231,658 0.176,659 1.979,660 4.787,661 0.6,662 14.2,663 1.004,664 1.12,665 2.506,666 6.279,667 0.661,668 3.091,669 3.367,670 3.497,671 3.664,672 3.829,673 3.611,674 3.466,675 3.497,676 3.526,677 3.434,678 5.649,679 0.632,680 271.34,681 3.091,682 4.595,683 5.389,684 6.229,685 7.04,686 7.877,687 8.695,688 9.531,689 10.351,690 11.186,691 2.7,698 1,709 7,714 5,716 12,734 1,735 1,738 37,739 13,740 2,741 21,743 38,744 16,745 12,746 5,747 7,752 2,753 2,759 2,768 13,769 3,772 1,778 1,782 1,785 1,786 1,789 17,790 4,791 2,792 4,797 1,803 1,804 3,823 2,838 1,855 2,859 2,862 20,868 1,869 1,871 1,872 1,886 8.1,888 1,889 1,891 1,893 11,894 7.117,895 4.444,896 2.029,898 2.098,899 1.342,900 0.924,901 4.638,902 8.231,903 3.367,904 3.932,905 4.363,906 4.84,907 5.313,908 5.129,909 4.977,910 5.191,911 5.328,912 5.32,913 0.833,914 26,915 7.372,917 3.019,918 7.925,919 13.781,921 10.649,924 2.425,925 48.5,929 176.567,930 107.653,931 18.011,933 78.828,936 107.653,937 255.395,938 18.011,939 17.65,940 22.603,941 66.334,942 72.533,943 25.371,945 176.567,947 176.567,948 125.663,949 78.828,952 176.567,953 78.828,956 40.254,957 85.41,960 176.567,961 96.839,962 107.653,965 176.567,966 23.668,967 83.984,968 18.011,969 78.828,970 176.567,971 96.839,972 107.653,973 0.577,974 0.313,975 0.158,976 0.091,977 12,978 6,979 0.105,980 4,982 1,983 3.273,984 135.875,986 12,987 84.439,993 14.41,994 6.438,995 4.267,997 96.839,998 12.509,1003 3.105,1005 60.694,1006 381.058,1007 28,1013 11.787,1017 -0.313,1020 37.153,1021 41.448,1022 0.283,1023 0.64,1024 0.766,1025 0.878,1026 0.909,1027 0.94,1028 4.564,1029 0.594,1030 5.361,1031 2.618,1032 4.043,1033 4.615,1034 2.272,1035 6.071,1036 3.986,1037 5.764,1038 0.221,1039 6.864,1040 1.405,1041 3.611,1042 4.388,1043 1.593,1044 6.742,1045 3.54,1046 7.049,1047 -0.318,1048 8.456,1049 0.485,1050 5.549,1051 6.736,1052 3.266,1053 9.749,1054 5.435,1055 8.362,1056 -0.406,1057 10.096,1058 -0.802,1059 5.832,1060 7.208,1061 3.201,1062 11.176,1063 5.692,1064 9.698,1065 -0.653,1066 11.766,1067 -0.921,1068 7.287,1069 9.096,1070 4.494,1071 13.708,1072 7.114,1073 11.05,1074 -1,1075 13.458,1076 -1.689,1077 7.923,1078 9.921,1079 4.75,1080 15.499,1081 7.713,1082 12.415,1083 -1,1084 15.165,1085 -2.323,1086 9.16,1087 11.588,1088 5.814,1089 17.833,1090 8.922,1091 2.885,1092 -1.193,1093 16.886,1094 -2.803,1095 9.984,1096 12.614,1097 6.248,1098 19.812,1099 9.705,1100 2.66,1101 8.863,1102 18.618,1103 -3.304,1104 11.116,1105 14.156,1106 7.174,1107 22.056,1108 10.811,1109 2.299,1110 7.458,1111 20.36,1112 3.89,1113 12.042,1114 15.304,1115 7.714,1116 24.132,1117 11.694,1118 2.063,1119 6.076,1120 22.11,1121 3.648,1122 13.124,1123 16.77,1124 8.557,1125 26.336,1126 12.749,1127 1.927,1128 5.578,1129 23.866,1130 2.874,1131 14.104,1132 17.993,1133 9.16,1134 28.461,1135 13.688,1136 1.414,1137 5.222,1138 25.629,1139 2.682,1140 15.164,1141 19.412,1142 9.952,1143 30.648,1144 14.718,1145 1.202,1146 3.696,1147 27.398,1148 2.515,1149 16.174,1150 20.682,1151 10.594,1152 32.798,1153 15.688,1154 3903,1155 6557,1156 13.523,1157 24.46,1158 30.831,1159 31.705,1160 31.485,1161 30.453,1162 30.532,1163 40.488,1164 6.127,1165 82.801,1166 29.634,1167 5.146,1168 5.627,1169 5.653,1170 4.914,1171 4.885,1172 6.89,1173 3.634,1174 15.092,1175 4.79,1176 10.901,1177 1.468,1178 1.51,1179 1.499,1180 1.45,1181 1.454,1182 1.928,1183 0.292,1184 3.943,1185 1.411,1186 3.958,1187 3.983,1188 3.901,1189 3.872,1190 7.429,1191 3.874,1192 3.901,1193 3.926,1194 3.838,1195 3.834,1196 6.469,1197 3.831,1198 3.537,1199 3.568,1200 3.46,1201 3.301,1202 4.846,1203 3.335,1204 3.209,1205 3.276,1206 3.054,1207 3.033,1208 4.639,1209 3.024,1210 3.16,1211 3.236,1212 2.984,1213 2.999,1214 4.322,1215 2.984,1216 2.959,1217 3.02,1218 2.823,1219 2.777,1220 3.939,1221 2.779,1222 2.799,1223 2.855,1224 2.672,1225 2.671,1226 3.856,1227 2.662,1228 2.624,1229 2.693,1230 2.361,1231 2.316,1232 3.727,1233 2.305,1234 0.202,1235 0.173,1236 0.29,1237 0.183,1238 0.137,1239 4.249,1240 0.185,1241 3.627,1242 0.097,1243 6.092,1244 0.422,1245 3.853,1246 0.133,1247 2.885,1248 3.89,1249 2.03,1250 8.863,1251 2.79,1252 1.912,1253 1.888,1254 2.029,1255 2.023,1256 1.128,1257 2.022,1258 1.897,1259 1.873,1260 2.015,1261 1.989,1262 1.117,1263 1.999,1264 1.435,1265 1.401,1266 1.634,1267 1.697,1268 0.753,1269 1.676,1270 1.206,1271 1.136,1272 1.533,1273 1.437,1274 0.591,1275 1.469,1276 1.173,1277 1.103,1278 1.491,1279 1.397,1280 0.568,1281 1.434,1282 0.921,1283 0.864,1284 1.174,1285 1.168,1286 0.225,1287 1.171,1288 0.804,1289 0.75,1290 1.08,1291 0.987,1292 0.153,1293 1.019,1294 0.561,1295 0.481,1296 0.921,1297 0.939,1299 0.924,1300 3.761,1302 5.043,1304 6.503,1306 8.044,1308 9.626,1310 3.843,1314 9.65,1315 -0.1,1317 2.622,1318 5.397,1326 23.38,1327 54.508,1328 123.447,1329 147.589,1330 169.24,1331 175.24,1332 181.24,1333 36.636,1334 6.133,1335 58.56,1336 58.56,1337 12,1338 11.758,1339 3.807,1340 3,1341 36.627,1342 68,1343 54,1344 0.262,1345 147.752,1346 257.73,1347 352.276,1348 3271,1350 14.535,1351 0.727,1352 0.576,1353 14.535,1354 11.512,1355 9.542,1356 0.454,1357 0.302,1358 6.254,1359 9.213,1360 6.006,1361 5.066,1362 9.542,1363 6.333,1364 8.712,1365 0.311,1366 0.167,1367 8.712,1368 4.674,1369 6.442,1370 0.201,1371 0.087,1372 6.442,1373 2.786,1374 4.955,1375 0.13,1376 0.047,1377 4.955,1378 1.79,1379 4.041,1380 0.09,1381 0.025,1382 4.041,1383 1.145,1384 0.417,1385 59.721,1386 0.272,1387 20.275,1388 0.702,1389 98,1390 311.954,1391 107.915,1392 299.622,1393 397.55,1394 278,1395 109,1396 281.375,1397 118.528,1398 286.793,1399 408.65,1400 267,1401 5.337}
{0 CHEMBL1613578,1 2.021,2 8.5,3 1.082,4 1.17,5 76.53,6 9.721,7 0.3,8 3.61,9 3.693,10 3.403,11 3.124,12 4.932,13 3.099,14 4.083,15 4.192,16 3.712,17 3.482,18 5.539,19 3.418,20 4.317,21 4.465,22 3.852,23 3.556,24 5.78,25 3.488,26 4.299,27 4.483,28 3.733,29 3.498,30 5.563,31 3.412,32 4.148,33 4.287,34 3.77,35 3.436,36 5.571,37 3.387,38 4.209,39 4.367,40 3.65,41 3.356,42 5.592,43 3.322,44 4.201,45 4.364,46 3.713,47 3.214,48 5.838,49 3.186,50 4.056,51 4.214,52 3.406,53 2.873,54 5.841,55 2.906,56 0.271,57 0.459,58 4.722,59 3.138,60 35.026,61 3.138,62 0.511,63 0.677,64 14.209,65 5.728,66 88.441,67 5.73,68 0.778,69 0.796,70 20.2,71 6.621,72 108.167,73 6.478,74 0.689,75 0.763,76 23.757,77 6.885,78 107.441,79 7.484,80 0.496,81 0.677,82 16.439,83 5.9,84 61.64,85 6.008,86 0.652,87 0.625,88 16.48,89 5.445,90 92.872,91 5.774,92 0.833,93 0.553,94 20.985,95 5.313,96 144.832,97 5.449,98 0.937,99 0.407,100 15.855,101 3.721,102 152.857,103 3.716,104 55,105 26,106 0.382,107 0.741,108 0.858,109 0.897,110 0.909,111 0.909,112 3.057,113 1.057,114 -2.72,115 -2.74,116 -2.66,120 33.3,126 3,128 1,143 3,145 3,159 1,167 2,176 1,177 2,180 1,182 2,185 5,189 5,193 1,194 2,201 4,204 1,206 3,209 1,214 4,217 2,219 2,222 2,226 1,227 2,232 2,239 2,240 1,243 1,244 1,245 1,247 2,252 2,255 3,256 1,257 1,267 3,274 516,275 12.964,276 12.964,277 12.964,278 12.964,279 12.964,280 11.809,281 16.49,282 7.713,283 13.365,284 9.722,285 9.722,286 9.722,287 9.722,288 9.722,289 7.844,290 21.691,291 3.545,292 10.435,293 3.023,294 1.126,295 0.508,296 0.303,297 0.242,298 0.242,299 3.688,300 1,306 1,307 1,308 326,309 3.937,313 74.637,320 1.3,321 38.117,324 1,325 1,326 1,327 1,328 1,329 0.83,330 1,331 0.98,332 46.333,333 170,334 4.343,335 4.42,336 6.059,337 3.879,338 2.918,339 4.056,340 2.95,341 8.878,342 2.801,343 3.868,344 3.778,345 5.466,346 3.426,347 2.457,348 3.335,349 2.612,350 7.095,351 2.364,352 3.635,353 3.627,354 5.194,355 3.305,356 2.396,357 2.866,358 2.092,359 6.506,360 2.16,361 3.346,362 2.959,363 4.94,364 3.122,365 2.173,366 2.468,367 0.466,368 5.746,369 2.048,370 3.18,371 2.487,372 4.667,373 2.8,374 1.848,375 2.269,377 4.998,378 1.727,379 2.793,380 2.178,381 3.724,382 2.11,383 1.122,384 1.827,386 2.717,387 1.105,388 1.81,389 1.903,390 3.155,391 1.559,392 0.72,393 0.768,395 1.491,396 0.589,397 1.507,398 1.779,399 2.896,400 1.08,401 0.383,402 0.409,404 0.563,405 0.213,406 1.22,407 1.028,408 2.474,409 0.972,410 0.16,411 0.165,413 0.229,414 0.128,415 1.168,416 1,417 2.228,418 0.709,419 -0.251,420 -0.328,422 -0.607,423 -0.225,424 1,425 0.576,426 2,427 0.344,428 -0.582,429 -0.712,431 -1.616,432 -0.515,433 0.772,434 0.446,435 1.687,436 0.141,437 -0.838,438 -1.116,440 -2,441 -0.802,442 0.568,443 -0.247,444 1.487,446 -1,447 -1.333,449 -2.343,450 -1,451 0.014,452 -0.5,453 1.391,454 -0.244,455 -1.164,456 -1.528,458 -2.754,459 -1.072,460 -0.207,461 -0.706,462 1.037,463 -0.504,464 -1.384,465 -1.722,467 -3.067,468 -1.255,469 9.514,470 0.476,471 0.544,472 0.027,473 23.75,474 1.188,475 11.5,476 0.575,477 12.25,478 0.613,479 15.24,480 0.762,481 23.486,482 0.712,483 17.68,484 0.884,485 4.601,486 0.23,487 4.855,488 0.243,489 0.25,491 0.305,496 0.698,497 1.08,498 0.646,499 0.788,500 0.73,501 0.836,502 0.765,503 1.273,504 1.097,505 1.204,506 0.667,507 1.115,508 0.9,509 1.077,510 0.993,511 1.124,512 0.829,513 1.032,514 0.862,515 1.094,516 0.943,517 1.127,518 0.885,519 0.937,520 0.743,521 1.295,522 0.925,523 1.296,524 0.784,525 1.064,526 1.089,527 1.13,528 0.939,529 1.001,530 1.081,531 1.073,532 1.026,533 1.047,534 0.809,535 0.924,536 1.09,537 0.974,538 1.33,539 0.687,540 0.976,541 0.738,542 1.434,543 0.976,544 5.5,545 0.017,546 1.778,547 1.188,548 1.053,549 0.667,550 0.55,551 0.349,552 0.169,553 0.06,554 3086,555 16206,556 1.835,557 39.4,559 10,562 3,567 1.623,568 1.667,569 3.09,570 1.3,572 1,574 1,575 66.696,576 2.021,577 3.918,578 4.537,579 4.741,580 4.802,581 4.802,582 2.522,583 4.122,584 4.288,585 3.218,586 611.427,587 7.355,588 6457.87,589 1,590 1,593 166.465,594 1.571,595 4.209,596 0.275,597 0.004,598 0.068,599 0.046,600 0.044,601 0.027,602 0.025,603 0.017,604 0.012,605 0.007,606 0.526,607 0.33,608 1,609 2.028,610 89.024,611 -0.011,612 0.176,613 -0.005,614 0.182,615 -0.093,616 0.073,617 -0.008,618 -0.123,619 -0.168,620 -0.091,621 0.052,622 -0.124,623 -0.047,624 0.028,625 -0.059,626 -0.037,627 -0.012,628 -0.056,629 -0.056,630 -0.081,631 0.05,632 -0.018,633 -0.084,634 0.12,635 0.027,636 -0.171,637 0.01,638 -0.187,639 0.006,640 -0.063,641 -0.17,642 -0.169,643 -0.06,644 -0.125,645 -0.165,646 -0.124,647 0.054,648 -0.123,649 0.125,650 -0.026,651 0.039,652 -0.046,653 0.009,654 0.108,655 -0.05,656 -0.023,657 -0.019,658 -0.134,659 2.58,660 4.193,661 0.3,662 17.18,663 1.047,664 1.133,665 1.492,666 2.227,667 0.678,668 3.045,669 3.296,670 3.401,671 3.526,672 3.738,673 3.761,674 3.829,675 3.664,676 3.466,677 2.996,678 5.233,679 0.66,680 320.78,681 3.045,682 4.533,683 5.313,684 6.146,685 6.957,686 7.799,687 8.624,688 9.471,689 10.303,690 11.152,691 6.1,698 1,702 1,709 3,714 3,716 6,731 1,738 33,739 9,740 1,741 20,743 33,744 11,745 6,746 3,747 3,750 1,752 1,753 1,754 1,759 2,766 1,768 7,769 4,772 3,775 1,778 3,782 1,785 1,786 1,789 13,790 6,791 3,792 9,793 2,797 2,803 1,804 5,805 1,806 1,823 1,838 1,853 2,855 1,856 1,857 1,860 1,862 20,868 2,869 3,871 1,873 1,874 1,885 1,886 15.2,887 2,889 1,892 2,893 12,894 5.493,895 4.694,896 1.605,898 1.474,899 1.251,900 0.84,901 7.083,902 7.358,903 3.296,904 3.795,905 4.155,906 4.619,907 5.15,908 5.319,909 5.623,910 5.438,911 5.372,912 4.857,913 0.833,914 26,915 7.379,917 3.086,918 8.597,919 13.057,921 9.952,924 3.097,925 61.944,929 117.711,930 76.166,931 23.681,932 39.149,933 161.259,935 32.22,936 43.947,937 318.118,938 23.681,939 5.67,940 21.76,941 113.795,942 29.85,943 7.064,945 189.079,946 50.747,947 117.711,948 67.628,949 161.259,950 71.368,952 117.711,953 25.145,954 136.114,956 21.76,957 40.198,958 44.819,959 32.22,960 117.711,961 184.939,962 115.315,965 117.711,966 47.738,967 34.099,968 18.011,969 200.407,970 117.711,971 184.939,972 115.315,973 0.565,974 0.309,975 0.136,976 0.084,977 9,978 6,979 0.182,980 6,982 1,983 3.096,984 131.76,986 6,987 84.439,989 1,993 17.04,994 8.313,995 5.89,997 179.269,998 4.078,1003 0.57,1005 103.377,1006 417.965,1007 26,1010 -0.58,1013 32.84,1017 -0.474,1020 34.542,1021 37.399,1022 0.401,1023 0.777,1024 0.899,1025 0.94,1026 0.952,1027 0.952,1028 4.494,1029 0.383,1030 5.293,1031 1.491,1032 3.97,1033 4.477,1034 3.632,1035 6.009,1036 3.841,1037 5.681,1038 0.16,1039 6.808,1040 0.563,1041 3.611,1042 4.425,1043 2.675,1044 6.749,1045 3.487,1046 6.972,1047 -0.251,1048 8.412,1049 0.229,1050 5.485,1051 6.581,1052 5.492,1053 9.718,1054 5.253,1055 8.293,1056 -0.582,1057 10.061,1058 -0.607,1059 5.832,1060 7.261,1061 4.764,1062 11.168,1063 5.586,1064 9.638,1065 -0.838,1066 11.739,1067 -1.616,1068 7.229,1069 8.982,1070 7.499,1071 13.683,1072 6.913,1073 11.001,1074 -1,1075 13.435,1076 -2,1077 7.907,1078 10.001,1079 6.737,1080 15.481,1081 7.566,1082 12.377,1083 -1.164,1084 15.144,1085 -2.343,1086 9.107,1087 11.552,1088 9.57,1089 17.805,1090 8.716,1091 2.918,1092 -1.384,1093 16.865,1094 -2.754,1095 9.959,1096 12.744,1097 8.67,1098 19.79,1099 9.538,1100 2.457,1101 8.878,1102 18.595,1103 -3.067,1104 11.072,1105 14.218,1106 11.674,1107 22.029,1108 10.611,1109 2.396,1110 7.095,1111 20.332,1112 4.056,1113 12.019,1114 15.501,1115 10.59,1116 24.112,1117 11.524,1118 2.173,1119 6.506,1120 22.077,1121 3.335,1122 13.096,1123 16.938,1124 13.797,1125 26.314,1126 12.565,1127 1.848,1128 5.746,1129 23.828,1130 2.866,1131 14.095,1132 18.271,1133 12.505,1134 28.447,1135 13.528,1136 1.122,1137 4.998,1138 25.584,1139 2.468,1140 15.158,1141 19.689,1142 15.932,1143 30.635,1144 14.557,1145 0.72,1146 2.717,1147 27.345,1148 2.269,1149 16.186,1150 21.051,1151 14.421,1152 32.792,1153 15.548,1154 3407,1155 7873,1156 12.137,1157 22.358,1158 28.166,1159 32.858,1160 30.601,1161 28.036,1162 28.353,1163 36.329,1164 16.242,1165 76.446,1166 26.274,1167 5.204,1168 6.42,1169 5.62,1170 4.979,1171 4.918,1172 7.056,1173 5.9,1174 14.878,1175 4.801,1176 13.555,1177 1.408,1178 1.643,1179 1.53,1180 1.402,1181 1.418,1182 1.816,1183 0.812,1184 3.822,1185 1.314,1186 3.997,1187 4.02,1188 4.072,1189 3.9,1190 7.815,1191 3.89,1192 3.637,1193 3.669,1194 3.807,1195 3.479,1196 7.429,1197 3.453,1198 3.597,1199 3.627,1200 3.726,1201 3.348,1202 6.999,1203 3.369,1204 3.415,1205 3.431,1206 3.435,1207 3.068,1208 6.498,1209 3.13,1210 3.021,1211 3.069,1212 3.231,1213 2.894,1214 6.403,1215 2.85,1216 2.835,1217 2.905,1218 2.964,1219 2.576,1220 4.702,1221 2.574,1222 2.63,1223 2.677,1224 2.588,1225 2.338,1226 4.635,1227 2.385,1228 2.499,1229 2.55,1230 2.487,1231 2.217,1232 3.901,1233 2.23,1234 0.217,1235 0.221,1236 0.303,1237 0.194,1238 0.146,1239 4.343,1240 0.203,1241 4.42,1242 0.148,1243 6.059,1244 0.444,1245 3.879,1246 0.14,1247 2.918,1248 4.056,1249 2.95,1250 8.878,1251 2.801,1252 1.916,1253 1.896,1254 1.973,1255 2.076,1256 1.161,1257 2.039,1258 1.571,1259 1.534,1260 1.778,1261 1.797,1262 1.042,1263 1.799,1264 1.438,1265 1.407,1266 1.567,1267 1.749,1268 0.736,1269 1.686,1270 1.179,1271 1.156,1272 1.267,1273 1.545,1274 0.483,1275 1.494,1276 0.97,1277 0.925,1278 1.23,1279 1.229,1280 0.219,1281 1.258,1282 0.777,1283 0.703,1284 1.056,1285 1.057,1286 0.151,1287 1.074,1288 0.524,1289 0.475,1290 0.781,1291 0.868,1293 0.86,1294 0.39,1295 0.322,1296 0.765,1297 0.788,1299 0.802,1300 3.714,1302 4.977,1304 6.415,1306 7.935,1308 9.505,1311 5.354,1314 17.976,1315 -0.466,1317 2.428,1319 1.135,1320 -0.917,1326 21.792,1327 66.696,1328 129.304,1329 149.71,1330 156.465,1331 158.465,1332 158.465,1333 74.788,1334 5.883,1335 115.38,1336 140.68,1337 6,1338 11.715,1339 3.322,1340 2.807,1341 49.261,1342 62,1343 64,1344 0.404,1345 147.289,1346 262.07,1347 351.146,1348 1996,1349 3,1350 15.121,1351 0.756,1352 0.593,1353 15.975,1354 11.856,1355 9.456,1356 0.473,1357 0.352,1358 5.545,1359 8.13,1360 5.311,1361 4.36,1362 10.264,1363 7.05,1364 8.283,1365 0.319,1366 0.199,1367 9.065,1368 5.163,1369 6.079,1370 0.21,1371 0.122,1372 7.128,1373 3.524,1374 4.049,1375 0.123,1376 0.068,1377 4.837,1378 2.255,1379 3.36,1380 0.082,1381 0.039,1382 4.163,1383 1.595,1384 0.619,1385 69.335,1386 0.287,1387 19.934,1388 1.144,1389 92,1390 414.548,1391 139.886,1392 432.286,1393 532.07,1394 396,1395 101,1396 314.531,1397 141.121,1398 327.72,1399 467.34,1400 303,1401 5.672}
{0 CHEMBL1704918,1 1.656,2 10.1,3 3.825,4 14.631,5 76.644,6 8.581,7 0.571,8 3.626,9 3.714,10 3.301,11 3.176,12 4.826,13 3.17,14 4.097,15 4.227,16 3.625,17 3.493,18 5.353,19 3.463,20 4.263,21 4.416,22 3.686,23 3.558,24 5.424,25 3.506,26 4.253,27 4.435,28 3.527,29 3.437,30 5.424,31 3.367,32 4.161,33 4.356,34 3.337,35 3.294,36 5.389,37 3.217,38 3.992,39 4.179,40 3.175,41 3.108,42 5.217,43 3.067,44 3.806,45 3.974,46 3.217,47 3.045,48 5.087,49 2.998,50 3.783,51 4.006,52 3.002,53 3.076,54 4.881,55 2.967,56 0.068,57 0.43,58 5.463,59 3.069,60 5.727,61 3.506,62 0.363,63 0.646,64 11.365,65 4.915,66 26.651,67 5.742,68 0.348,69 0.725,70 16.52,71 6.176,72 30.42,73 7.116,74 0.37,75 0.708,76 17.314,77 5.862,78 35.545,79 6.751,80 0.382,81 0.624,82 21.262,83 5.473,84 39.463,85 6.528,86 0.378,87 0.528,88 13.773,89 4.353,90 39.416,91 4.889,92 0.335,93 0.45,94 11.262,95 3.787,96 36.463,97 4.358,98 0.315,99 0.468,100 10.224,101 3.893,102 23.618,103 5.283,104 11,105 27,106 0.307,107 0.607,108 0.724,109 0.833,110 0.863,111 0.863,112 3.056,113 0.914,114 -4.14,115 -4.09,116 -3.86,120 44.1,125 1,126 1,143 8,144 1,145 3,160 1,174 7,176 1,177 3,180 2,182 1,185 7,189 5,194 2,197 5,201 6,206 3,209 1,214 6,219 3,227 3,230 1,232 1,235 2,240 2,247 6,251 2,260 7,271 6,274 484,275 13.508,276 13.508,277 13.508,278 13.508,279 13.508,280 11.826,281 14.818,282 8.209,283 13.962,284 10.304,285 10.304,286 10.304,287 10.304,288 10.304,289 7.787,290 17.784,291 3.845,292 10.986,293 3.431,294 1.812,295 1.184,296 0.596,297 0.434,298 0.434,299 3.717,303 1,305 1,306 1,307 1,308 418,309 3,313 148.176,320 1.51,321 19.626,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 43.833,333 202,334 4.24,335 3.668,336 6.062,337 3.797,338 2.866,339 3.889,340 2.187,341 8.716,342 2.661,343 3.963,344 3.266,345 5.49,346 3.56,347 2.626,348 3.476,349 0.86,350 7.404,351 2.441,352 3.608,353 2.679,354 5.253,355 3.252,356 2.294,357 2.892,358 0.599,359 6.633,360 2.166,361 3.447,362 2.58,363 4.784,364 3.025,365 2.047,366 2.695,367 0.232,368 5.411,369 1.974,370 2.859,371 2.157,372 4.166,373 2.394,374 1.478,375 2,377 3.718,378 1.378,379 2.847,380 1.588,381 3.587,382 2.359,383 1.414,384 1.978,386 3.026,387 1.236,388 2.5,389 1.278,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 1.985,398 1.001,399 3.199,400 1.717,401 0.797,402 0.907,404 1.685,405 0.72,406 1.635,407 1,408 2.858,409 1.354,410 0.466,411 0.523,413 0.862,414 0.405,415 1.177,416 0.653,417 2.536,418 0.762,419 -0.176,420 -0.214,422 -0.38,423 -0.156,424 0.961,425 0.376,426 2.256,427 0.56,428 -0.3,429 -0.361,431 -0.582,432 -0.214,433 0.741,434 -0.012,435 1.947,436 0.291,437 -0.622,438 -0.785,440 -1.586,441 -0.54,442 0.5,443 -0.421,444 1.653,445 0.003,446 -1,447 -1.326,449 -2.252,450 -0.973,451 0.484,452 -0.731,453 1.555,455 -1,456 -1.496,458 -2.347,459 -1,460 0.162,461 -1,462 1.254,463 -0.145,464 -1.105,465 -1.5,467 -2.96,468 -1.071,469 9.614,470 0.481,471 0.4,472 0.02,473 27,474 1.35,475 14.5,476 0.725,477 12.5,478 0.625,479 12.521,480 0.626,481 21.586,482 0.635,483 18.04,484 0.902,485 5.783,486 0.289,487 3.903,488 0.195,489 0.161,491 0.26,496 0.777,497 1.223,498 0.592,499 0.996,500 0.616,501 0.892,502 0.817,503 0.933,504 0.716,505 0.843,506 0.573,507 0.88,508 1.037,509 1.188,510 0.948,511 1.116,512 0.896,513 1.059,514 1.337,515 1.169,516 1.069,517 1,518 1.286,519 1.034,520 1.284,521 1.08,522 1.64,523 1.282,524 1.55,525 1.14,526 1.522,527 0.834,528 0.984,529 0.81,530 1.954,531 0.867,532 0.908,533 0.957,534 0.79,535 1.025,536 1.156,537 0.98,538 0.223,539 0.702,540 0.581,541 0.707,542 0.303,543 0.823,544 4,545 0.066,546 1.778,547 1,548 0.964,549 0.326,550 0.304,551 0.177,552 0.099,553 0.103,554 4025,555 13494,556 1.995,557 41.2,559 13,562 1,567 1.611,568 1.875,569 3.323,570 -0.271,572 1,574 1,575 56.313,576 1.656,577 3.275,578 3.903,579 4.491,580 4.653,581 4.653,582 2.746,583 3.684,584 4.296,585 3.449,586 655.337,587 7.302,588 7024.45,590 1,591 1,592 1,593 172.974,594 1.353,595 4.255,596 0.19,597 0.007,598 0.066,599 0.038,600 0.046,601 0.018,602 0.019,603 0.012,604 0.007,605 0.008,606 0.412,607 0.67,608 1,609 0.843,610 90.965,611 -0.056,612 -0.111,613 0.016,614 -0.071,615 -0.073,616 -0.015,617 0.153,618 0.127,619 0.032,620 0.084,621 0.141,622 0.015,623 -0.036,624 -0.213,625 -0.011,626 -0.147,627 -0.05,628 -0.116,629 -0.222,630 -0.189,631 -0.074,632 -0.05,633 -0.141,634 -0.095,635 -0.174,636 -0.11,637 -0.298,638 -0.284,639 -0.136,640 -0.169,641 -0.217,642 0.134,643 -0.075,644 0.116,645 -0.249,646 0.054,647 0.158,648 0.012,649 0.112,650 -0.07,651 0.125,652 -0.033,653 0.42,654 0.298,655 0.187,656 0.247,657 0.268,658 0.197,659 2.178,660 4.603,661 0.6,662 15.82,663 1.017,664 1.117,665 2.912,666 8.478,667 0.693,668 3.091,669 3.332,670 3.497,671 3.638,672 3.761,673 3.611,674 3.555,675 3.526,676 3.497,677 3.401,678 5.91,679 0.667,680 291.75,681 3.091,682 4.575,683 5.371,684 6.196,685 7.006,686 7.834,687 8.648,688 9.477,689 10.293,690 11.122,691 2.9,698 1,709 8,714 4,716 12,733 1,735 1,737 1,738 34,739 13,740 2,741 21,743 35,744 15,745 12,746 4,747 8,752 2,753 2,754 1,768 13,769 2,772 1,778 1,782 1,786 1,789 14,790 4,791 1,792 5,793 1,797 1,803 1,804 3,823 2,855 2,859 1,860 1,862 20,869 1,871 1,872 2,885 1,886 8.8,889 1,891 2,893 10.667,894 6.31,895 4.611,896 1.8,898 2.042,899 1.334,900 0.944,901 5.267,902 8.165,903 3.367,904 3.892,905 4.344,906 4.804,907 5.262,908 5.099,909 5.106,910 5.218,911 5.256,912 5.273,913 0.857,914 26,915 7.324,917 2.949,918 7.922,919 13.626,921 10.32,924 2.422,925 48.444,929 153.024,930 112.734,931 18.011,932 39.149,933 47.145,936 112.734,937 239.318,938 18.011,939 10.883,940 20.116,941 75.81,942 25.145,943 39.173,944 6.763,945 153.024,946 39.149,947 153.024,948 130.745,949 47.145,950 39.149,952 153.024,953 47.145,956 20.116,957 110.629,958 39.149,960 153.024,961 65.155,962 151.883,965 153.024,966 26.041,967 86.693,968 18.011,969 86.293,970 153.024,971 65.155,972 151.883,973 0.562,974 0.32,975 0.164,976 0.083,977 11,978 5,979 0.143,980 5,982 1,983 3.335,984 133.709,986 12,987 82.439,993 14.69,994 7.171,995 4.42,997 65.155,998 14.189,1003 2.462,1005 18.011,1006 370.063,1007 28,1013 11.603,1017 -0.511,1020 34.593,1021 37.977,1022 0.326,1023 0.644,1024 0.767,1025 0.883,1026 0.915,1027 0.915,1028 4.543,1029 0.797,1030 5.313,1031 2.136,1032 4.007,1033 4.575,1034 2.447,1035 6.009,1036 3.882,1037 5.715,1038 0.466,1039 6.804,1040 1.685,1041 3.434,1042 4.205,1043 1.784,1044 6.676,1045 3.186,1046 6.984,1047 -0.176,1048 8.388,1049 0.862,1050 5.493,1051 6.665,1052 3.532,1053 9.684,1054 5.247,1055 8.286,1056 -0.3,1057 10.027,1058 -0.38,1059 5.707,1060 7.051,1061 3.59,1062 11.14,1063 5.307,1064 9.614,1065 -0.622,1066 11.701,1067 -0.582,1068 7.222,1069 9.005,1070 4.915,1071 13.638,1072 6.843,1073 10.961,1074 -1,1075 13.397,1076 -1.586,1077 7.821,1078 9.768,1079 5.291,1080 15.441,1081 7.28,1082 12.321,1083 -1,1084 15.111,1085 -2.252,1086 9.086,1087 11.478,1088 6.391,1089 17.741,1090 8.559,1091 2.866,1092 -1.105,1093 16.837,1094 -2.347,1095 9.888,1096 12.459,1097 6.934,1098 19.713,1099 9.206,1100 2.626,1101 8.716,1102 18.572,1103 -2.96,1104 11.031,1105 14.029,1106 7.906,1107 21.929,1108 10.347,1109 2.294,1110 7.404,1111 20.316,1112 3.889,1113 11.941,1114 15.145,1115 8.544,1116 23.988,1117 11.119,1118 2.047,1119 6.633,1120 22.066,1121 3.476,1122 13.026,1123 16.63,1124 9.44,1125 26.168,1126 12.182,1127 1.478,1128 5.411,1129 23.823,1130 2.892,1131 13.995,1132 17.832,1133 10.136,1134 28.273,1135 13.03,1136 1.414,1137 3.718,1138 25.584,1139 2.695,1140 15.052,1141 19.264,1142 10.987,1143 30.439,1144 14.049,1145 1,1146 3.026,1147 27.349,1148 2,1149 16.053,1150 20.521,1151 11.717,1152 32.569,1153 14.944,1154 4047,1155 7521,1156 13.811,1157 23.557,1158 30.166,1159 31.284,1160 31.007,1161 30.117,1162 29.977,1163 39.724,1164 7.756,1165 79.181,1166 27.964,1167 5.133,1168 5.668,1169 5.864,1170 4.864,1171 4.866,1172 6.889,1173 3.89,1174 14.939,1175 4.661,1176 9.531,1177 1.436,1178 1.49,1179 1.477,1180 1.434,1181 1.427,1182 1.892,1183 0.369,1184 3.771,1185 1.332,1186 3.946,1187 3.967,1188 4.02,1189 3.873,1190 7.435,1191 3.87,1192 3.878,1193 3.9,1194 3.826,1195 3.806,1196 4.989,1197 3.803,1198 3.496,1199 3.535,1200 3.488,1201 3.221,1202 4.83,1203 3.261,1204 3.246,1205 3.298,1206 3.28,1207 2.955,1208 4.495,1209 2.988,1210 2.995,1211 3.038,1212 3.097,1213 2.81,1214 4.345,1215 2.793,1216 2.877,1217 2.925,1218 2.795,1219 2.769,1220 4.202,1221 2.754,1222 2.854,1223 2.921,1224 2.687,1225 2.735,1226 3.847,1227 2.715,1228 2.753,1229 2.798,1230 2.632,1231 2.592,1232 3.674,1233 2.597,1234 0.202,1235 0.175,1236 0.289,1237 0.181,1238 0.136,1239 4.24,1240 0.185,1241 3.668,1242 0.104,1243 6.062,1244 0.415,1245 3.797,1246 0.127,1247 2.866,1248 3.889,1249 2.187,1250 8.716,1251 2.661,1252 1.901,1253 1.882,1254 2,1255 2.003,1256 1.152,1257 2.004,1258 1.869,1259 1.844,1260 1.984,1261 1.962,1262 1.039,1263 1.972,1264 1.365,1265 1.319,1266 1.606,1267 1.668,1268 0.681,1269 1.638,1270 1.164,1271 1.101,1272 1.484,1273 1.486,1274 0.548,1275 1.491,1276 0.935,1277 0.895,1278 1.181,1279 1.19,1280 0.218,1281 1.176,1282 0.886,1283 0.824,1284 1.139,1285 1.062,1286 0.166,1287 1.107,1288 0.867,1289 0.821,1290 1.082,1291 1.012,1292 0.154,1293 1.054,1294 0.716,1295 0.676,1296 0.92,1297 0.927,1299 0.94,1300 3.761,1302 5.017,1304 6.466,1306 7.998,1308 9.57,1310 1.552,1311 6.006,1315 0.329,1317 2.652,1318 10.164,1326 22.681,1327 56.313,1328 111.364,1329 132.709,1330 152.709,1331 158.219,1332 158.219,1333 30.786,1334 6.122,1335 47.56,1336 47.56,1337 12,1338 11.699,1339 3.807,1340 3,1341 36.728,1342 72,1343 62,1344 0.252,1345 146.493,1346 255.64,1347 349.203,1348 3227,1349 2.9,1350 14.372,1351 0.719,1352 0.584,1353 14.872,1354 11.685,1355 9.686,1356 0.461,1357 0.305,1358 5.946,1359 8.985,1360 5.758,1361 4.819,1362 9.975,1363 6.398,1364 8.247,1365 0.305,1366 0.164,1367 8.618,1368 4.432,1369 6.508,1370 0.203,1371 0.091,1372 6.862,1373 2.902,1374 5.069,1375 0.137,1376 0.052,1377 5.437,1378 1.906,1379 3.718,1380 0.089,1381 0.026,1382 3.884,1383 1.1,1384 0.404,1385 64.254,1386 0.269,1387 20.464,1388 0.661,1389 96,1390 345.743,1391 122.872,1392 354.599,1393 462.54,1394 330,1395 107,1396 305.007,1397 129.33,1398 316.783,1399 455.65,1400 295,1401 4.205}
{0 CHEMBL1713901,1 1.616,2 8.72,3 4.09,4 16.727,5 99.874,6 7.286,7 0.444,8 3.952,9 4.092,10 3.496,11 3.406,12 5.078,13 3.396,14 4.493,15 4.694,16 3.836,17 3.798,18 5.657,19 3.759,20 4.78,21 5.017,22 3.994,23 3.989,24 5.752,25 3.934,26 4.898,27 5.146,28 4.007,29 3.984,30 6.115,31 3.916,32 4.836,33 5.088,34 3.923,35 3.928,36 5.886,37 3.88,38 4.789,39 5.007,40 3.885,41 3.891,42 5.969,43 3.859,44 4.819,45 5.057,46 3.788,47 3.864,48 5.97,49 3.806,50 4.772,51 5.033,52 3.424,53 3.76,54 5.874,55 3.632,56 0.141,57 0.743,58 10.162,59 3.632,60 11.085,61 5.471,62 0.363,63 1.136,64 19.162,65 6.371,66 47.101,67 9.521,68 0.325,69 1.417,70 26.516,71 8.121,72 27.043,73 12.827,74 0.825,75 1.451,76 31.194,77 8.212,78 90.646,79 13.447,80 0.465,81 1.355,82 29.454,83 7.427,84 54.63,85 12.228,86 0.632,87 1.322,88 27.668,89 6.051,90 73.813,91 10.07,92 0.538,93 1.249,94 29.171,95 7.121,96 74.147,97 11.297,98 0.607,99 1.07,100 28.972,101 7.858,102 94.988,103 11.817,104 18,105 37,106 0.277,107 0.581,108 0.707,109 0.772,110 0.782,111 0.782,112 3.268,113 0.937,114 -5.4,115 -5.28,116 -4.94,120 36.2,122 4,125 1,126 2,143 5,145 2,148 2,151 1,164 1,165 1,166 1,167 2,174 7,176 5,177 4,179 1,180 1,185 6,188 3,189 4,191 1,192 1,197 3,200 8,201 7,203 5,204 5,213 1,214 8,226 2,227 14,232 4,237 4,240 12,245 4,249 4,252 7,257 1,260 4,262 1,264 5,271 8,274 885,275 16.811,276 16.811,277 16.811,278 16.811,279 16.811,280 15.053,281 23.384,282 10.116,283 17.204,284 13.324,285 13.324,286 13.324,287 13.324,288 13.324,289 10.696,290 38.09,291 4.796,292 13.989,293 3.938,294 2.166,295 1.428,296 1.053,297 0.995,298 0.995,299 3.948,305 1,306 1,307 1,308 460,309 3,313 167.696,314 85.795,320 1.274,321 27.366,323 1,324 0.75,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.86,332 55,333 218,334 4.581,335 3.84,336 6.85,337 4.161,338 3.223,339 4.312,340 2.612,341 11.327,342 3.024,343 4.15,344 3.25,345 6.369,346 3.821,347 2.885,348 3.627,349 0.8,350 9.586,351 2.703,352 3.745,353 3.042,354 5.788,355 3.416,356 2.485,357 3.223,358 0.8,359 7.723,360 2.312,361 3.617,362 2.521,363 5.268,364 3.147,365 2.194,366 2.845,368 6.43,369 2.084,370 3.277,371 2.133,372 4.661,373 2.757,374 1.797,375 2.526,377 4.638,378 1.729,379 2.931,380 1.83,381 4.376,382 2.705,383 1.732,384 2.056,386 4.007,387 1.675,388 2.86,389 1.524,390 3.868,391 2.404,392 1.438,393 1.931,395 3.233,396 1.386,397 2.5,398 1.408,399 3.653,400 2.237,401 1.247,402 1.5,404 2.943,405 1.233,406 2.405,407 1.298,408 3.414,409 2.152,410 1.197,411 1.388,413 2.606,414 1.14,415 2.247,416 1,417 3.359,418 2,419 1,420 1.247,422 2.136,423 1,424 2.016,425 1,426 3.247,427 1.645,428 0.702,429 0.89,431 1.755,432 0.66,433 1.194,434 0.895,435 2.804,436 0.908,437 -0.058,438 -0.065,440 -0.139,441 -0.056,442 1,443 0.303,444 2.661,445 0.689,446 -0.24,447 -0.291,449 -0.595,450 -0.223,451 1,452 -0.123,453 2.311,454 0.521,455 -0.445,456 -0.445,458 -1,459 -0.428,460 0.672,461 -0.287,462 2,463 0.312,464 -0.618,465 -0.768,467 -1.595,468 -0.574,469 11.567,470 0.463,471 0.597,472 0.024,473 33.5,474 1.34,475 16.5,476 0.66,477 17,478 0.68,479 20.035,480 0.801,481 28.033,482 0.596,483 25.161,484 1.006,485 6.275,486 0.251,487 5.8,488 0.232,489 0.135,491 0.32,496 0.561,497 1.542,498 0.791,499 1.193,500 0.568,501 1.051,502 0.554,503 1.09,504 0.822,505 1.047,506 0.325,507 0.985,508 0.631,509 1.209,510 0.774,511 1.064,512 0.459,513 0.954,514 0.617,515 0.964,516 0.941,517 0.992,518 0.52,519 1.013,520 1.162,521 1.072,522 0.92,523 0.892,524 1.049,525 0.854,526 1.689,527 1.109,528 1.338,529 0.963,530 1.681,531 1.053,532 1.624,533 1.04,534 1.233,535 1.008,536 1.66,537 1.037,538 1.635,539 0.786,540 1.302,541 0.932,542 1.857,543 1.057,544 4,545 0.04,546 2.667,547 2.188,548 1.471,549 1.111,550 0.767,551 0.44,552 0.16,553 0.065,554 6204,555 16356,556 2.038,557 46.8,558 4,559 12,562 2,564 4,567 1.688,568 1.899,569 3.113,570 0.352,572 1,575 75.962,576 1.616,577 3.388,578 4.127,579 4.501,580 4.56,581 4.56,582 2.504,583 4.084,584 4.615,585 3.241,586 972.217,587 8.026,588 11476.7,590 1,592 1,593 261.066,594 1.44,595 4.569,596 0.148,597 0.005,598 0.072,599 0.051,600 0.037,601 0.028,602 0.021,603 0.014,604 0.008,605 0.004,606 0.388,607 0.17,608 1,609 0.795,610 117.993,611 0.163,612 -0.22,613 0.064,614 -0.056,615 -0.001,616 -0.026,617 0.239,618 0.081,619 0.09,620 0.005,621 0.276,622 0.015,623 0.098,624 -0.135,625 0.159,626 -0.046,627 0.064,628 0.049,629 0.366,630 0.075,631 0.042,632 -0.065,633 0.298,634 -0.074,635 -0.13,636 -0.073,637 0.072,638 0.049,639 -0.09,640 0.097,641 -0.338,642 -0.015,643 -0.33,644 -0.068,645 -0.295,646 -0.172,647 -0.324,648 -0.05,649 -0.218,650 -0.083,651 -0.219,652 -0.115,653 -0.339,654 0.087,655 -0.275,656 0.022,657 -0.271,658 -0.098,659 2.484,660 4.528,661 0.76,662 19.376,663 1.007,664 1.143,665 4.172,666 17.403,667 0.639,668 3.332,669 3.638,670 3.912,671 4.174,672 4.382,673 4.489,674 4.554,675 4.575,676 4.575,677 4.554,678 5.367,679 0.612,680 342.45,681 3.332,682 4.86,683 5.707,684 6.583,685 7.453,686 8.34,687 9.219,688 10.111,689 10.996,690 11.891,691 12.8,695 1,697 1,699 1,701 2,702 1,709 5,710 2,714 5,716 12,728 1,731 1,732 2,738 47,739 14,740 1,741 27,743 49,744 17,745 10,746 1,747 5,752 3,753 3,763 4,766 4,768 10,769 7,772 2,775 1,778 2,786 1,789 22,790 7,791 2,792 8,797 6,803 1,804 2,817 1,823 2,824 1,855 3,859 1,862 25,863 1,869 6,875 2,886 4.3,892 2,893 13.167,894 8.583,895 5.583,896 2.936,898 2.207,899 1.318,900 0.964,901 5.462,902 9.15,903 3.584,904 4.143,905 4.663,906 5.227,907 5.707,908 5.937,909 6.257,910 6.497,911 6.745,912 6.996,913 0.833,914 43,915 9.257,917 3.919,918 7.873,919 17.547,921 14.185,924 2.373,925 59.333,928 1,929 235.422,930 82.196,931 78.387,933 50.747,936 82.196,937 286.169,938 78.387,939 14.066,940 14.35,941 80.278,942 33.571,943 11.762,944 6.555,945 235.422,946 50.747,947 235.422,948 160.583,949 50.747,952 188.338,953 47.084,954 50.747,956 19.373,957 101.968,958 39.241,960 235.422,961 129.134,962 82.196,965 235.422,966 26.418,967 67.696,969 117.215,970 235.422,971 129.134,972 82.196,973 0.575,974 0.34,975 0.191,976 0.104,977 17,978 8,979 0.082,980 4,982 1,983 3.545,984 209.697,986 19,987 104.096,993 17.585,994 7.766,995 3.888,997 123.464,998 9.594,999 8.689,1003 1.257,1005 32.897,1006 446.751,1007 35,1010 -0.484,1013 23.055,1020 47.334,1021 53.73,1022 0.291,1023 0.61,1024 0.743,1025 0.81,1026 0.821,1027 0.821,1028 4.812,1029 1.247,1030 5.687,1031 3.233,1032 4.317,1033 4.828,1034 2.648,1035 6.509,1036 4.214,1037 6,1038 1.197,1039 7.253,1040 2.943,1041 3.892,1042 4.649,1043 2.431,1044 7.469,1045 3.69,1046 7.302,1047 1,1048 8.93,1049 2.606,1050 5.905,1051 6.981,1052 4.169,1053 10.612,1054 5.676,1055 8.642,1056 0.702,1057 10.673,1058 2.136,1059 6.33,1060 7.634,1061 4.513,1062 12.43,1063 5.993,1064 10.017,1065 -0.058,1066 12.458,1067 1.755,1068 7.809,1069 9.458,1070 5.949,1071 15.089,1072 7.443,1073 11.418,1074 -0.24,1075 14.273,1076 -0.139,1077 8.631,1078 10.502,1079 6.557,1080 17.249,1081 8.168,1082 12.839,1083 -0.445,1084 16.108,1085 -0.595,1086 9.898,1087 12.119,1088 7.794,1089 19.743,1090 9.395,1091 3.223,1092 -0.618,1093 17.958,1094 -1,1095 10.902,1096 13.358,1097 8.548,1098 22.046,1099 10.314,1100 2.885,1101 11.327,1102 19.82,1103 -1.595,1104 12.089,1105 14.885,1106 9.67,1107 24.484,1108 11.451,1109 2.485,1110 9.586,1111 21.69,1112 4.312,1113 13.174,1114 16.226,1115 10.509,1116 26.85,1117 12.461,1118 2.194,1119 7.723,1120 23.567,1121 3.627,1122 14.333,1123 17.711,1124 11.563,1125 29.27,1126 13.565,1127 1.797,1128 6.43,1129 25.45,1130 3.223,1131 15.455,1132 19.106,1133 12.452,1134 31.664,1135 14.617,1136 1.732,1137 4.638,1138 27.337,1139 2.845,1140 16.608,1141 20.574,1142 13.468,1143 34.08,1144 15.71,1145 1.438,1146 4.007,1147 29.228,1148 2.526,1149 17.748,1150 21.997,1151 14.386,1152 36.488,1153 16.783,1154 6116,1155 10137,1156 17.8,1157 30.034,1158 40.14,1159 41.152,1160 41.539,1161 39.868,1162 39.803,1163 51.087,1164 8.425,1165 112.766,1166 37.893,1167 5.509,1168 5.84,1169 6.652,1170 5.238,1171 5.223,1172 7.312,1173 4.612,1174 18.516,1175 5.024,1176 12.087,1177 1.487,1178 1.524,1179 1.538,1180 1.477,1181 1.474,1182 1.892,1183 0.312,1184 4.177,1185 1.403,1186 4.026,1187 4.075,1188 4.001,1189 3.86,1190 7.815,1191 3.874,1192 3.877,1193 3.916,1194 3.814,1195 3.752,1196 6.999,1197 3.766,1198 3.773,1199 3.832,1200 3.645,1201 3.597,1202 5.169,1203 3.604,1204 3.48,1205 3.531,1206 3.448,1207 3.137,1208 4.792,1209 3.18,1210 3.278,1211 3.364,1212 3.111,1213 3.125,1214 4.649,1215 3.097,1216 3.252,1217 3.334,1218 3.057,1219 2.971,1220 4.273,1221 2.992,1222 3.175,1223 3.275,1224 3.029,1225 2.784,1226 3.994,1227 2.875,1228 2.861,1229 2.989,1230 2.687,1231 2.735,1232 3.781,1233 2.715,1234 0.17,1235 0.142,1236 0.254,1237 0.154,1238 0.119,1239 4.581,1240 0.16,1241 3.84,1242 0.097,1243 6.85,1244 0.42,1245 4.161,1246 0.112,1247 3.223,1248 4.312,1249 2.612,1250 11.327,1251 3.024,1252 1.909,1253 1.874,1254 2.021,1255 2.108,1256 1.336,1257 2.057,1258 1.806,1259 1.764,1260 1.975,1261 1.976,1262 1.201,1263 1.969,1264 1.712,1265 1.647,1266 1.908,1267 1.873,1268 1.086,1269 1.912,1270 1.541,1271 1.47,1272 1.736,1273 1.795,1274 0.794,1275 1.783,1276 1.314,1277 1.239,1278 1.595,1279 1.661,1280 0.649,1281 1.616,1282 0.999,1283 0.942,1284 1.253,1285 1.464,1286 0.528,1287 1.414,1288 0.886,1289 0.821,1290 1.181,1291 1.208,1292 0.312,1293 1.199,1294 0.833,1295 0.72,1296 1.171,1297 1.09,1298 0.218,1299 1.153,1300 4.007,1302 5.313,1304 6.817,1305 2.708,1306 8.419,1307 4.977,1308 10.078,1310 1.822,1313 5.939,1315 5.719,1321 3.743,1326 28.772,1327 75.962,1328 159.243,1329 193.946,1330 211.556,1331 214.311,1332 214.311,1333 47.762,1334 6.943,1335 104.1,1336 104.1,1337 19,1338 12.419,1339 3.907,1340 3.17,1341 41.361,1342 79,1343 83,1344 0.258,1345 179.927,1346 308.88,1347 430.781,1348 8325,1350 17.811,1351 0.712,1352 0.57,1353 17.811,1354 14.259,1355 12.075,1356 0.447,1357 0.312,1358 8.291,1359 11.479,1360 8.127,1361 6.782,1362 12.075,1363 8.433,1364 10.703,1365 0.289,1366 0.166,1367 10.703,1368 6.134,1369 8.813,1370 0.18,1371 0.09,1372 8.813,1373 4.412,1374 7.531,1375 0.118,1376 0.048,1377 7.531,1378 3.043,1379 5.842,1380 0.074,1381 0.027,1382 5.842,1383 2.106,1384 0.389,1385 76.653,1386 0.237,1387 23.739,1388 0.759,1389 128,1390 399.009,1391 144.418,1392 385.24,1393 522.03,1394 356,1395 150,1396 396.83,1397 167.753,1398 394.441,1399 574.49,1400 369,1401 4.558}
{0 CHEMBL1715529,1 1.872,2 8.654,3 5.123,4 26.244,5 97.707,6 12.373,7 0.429,8 3.705,9 3.748,10 3.674,11 3.397,12 5.041,13 3.394,14 4.203,15 4.268,16 4.159,17 3.826,18 5.638,19 3.806,20 4.514,21 4.599,22 4.605,23 4.029,24 5.977,25 3.992,26 4.584,27 4.675,28 4.601,29 3.945,30 6.243,31 3.944,32 4.507,33 4.592,34 4.463,35 3.768,36 6.433,37 3.808,38 4.339,39 4.428,40 4.121,41 3.702,42 5.95,43 3.703,44 4.35,45 4.432,46 4.154,47 3.653,48 6.051,49 3.636,50 4.037,51 4.121,52 3.919,53 3.424,54 5.722,55 3.35,56 0.267,57 0.399,58 0.812,59 2.283,60 38.476,61 2.096,62 0.523,63 0.67,64 2.223,65 4.031,66 75.133,67 3.931,68 0.89,69 0.863,70 18.978,71 6.764,72 121.856,73 6.36,74 1.165,75 0.897,76 20.312,77 7.767,78 182.9,79 6.859,80 1.298,81 0.823,82 18.133,83 7.267,84 221.117,85 6.267,86 0.857,87 0.704,88 11.341,89 5.921,90 124.134,91 5.007,92 1.049,93 0.643,94 19.266,95 6.613,96 148.722,97 5.187,98 0.805,99 0.438,100 17.482,101 5.106,102 108.246,103 4.173,104 66,105 42,106 0.339,107 0.656,108 0.73,109 0.79,110 0.804,111 0.804,112 3.306,113 0.94,114 -5.44,115 -5.32,116 -4.97,120 48.6,122 1,128 1,143 5,144 3,145 4,159 3,168 1,172 1,174 8,176 2,177 5,178 1,180 1,185 10,186 1,188 1,189 4,192 1,194 1,197 12,198 1,200 1,201 9,202 2,206 1,209 7,210 4,213 2,214 14,217 2,219 4,222 3,223 2,227 9,232 2,235 6,236 3,240 7,245 3,247 8,248 2,252 4,257 2,260 8,271 8,274 950,275 16.795,276 16.795,277 16.795,278 16.795,279 16.795,280 14.736,281 14.675,282 9.453,283 17.231,284 13.677,285 13.677,286 13.677,287 13.677,288 13.677,289 10.587,290 12.154,291 4.397,292 14.671,293 3.258,294 1.507,295 1.096,296 0.764,297 0.686,298 0.686,299 3.973,303 4,306 1,307 1,308 471,309 3.464,312 54.481,313 157.531,316 105.834,320 1.269,321 55.014,324 0.75,325 1,326 1,327 0.4,329 1,330 1,331 0.74,332 57.833,333 225,334 4.8,335 4.084,336 7.308,337 4.453,338 3.495,339 4.518,340 2.377,341 12.997,342 3.348,343 4.226,344 3.728,345 6.647,346 3.914,347 2.993,348 3.577,349 1.35,350 10.45,351 2.775,352 3.93,353 3.507,354 6.078,355 3.552,356 2.599,357 3.44,358 0.8,359 8.393,360 2.423,361 3.764,362 3.307,363 6.049,364 3.338,365 2.417,366 3.137,367 0.126,368 8.175,369 2.208,370 3.721,371 2.877,372 5.436,373 3.326,374 2.357,375 2.99,377 6.907,378 2.188,379 3.18,380 2.739,381 5.195,382 2.761,383 1.822,384 2.318,386 5.682,387 1.645,388 3.104,389 2.508,390 5.061,391 2.612,392 1.653,393 2.186,395 4.926,396 1.478,397 2.913,398 2.106,399 3.912,400 2.482,401 1.482,402 2.074,404 3.166,405 1.428,406 2.5,407 1.719,408 3.683,409 2,410 1,411 1.5,413 2.32,414 1,415 2.324,416 1.536,417 3.459,418 1.91,419 0.933,420 1.161,422 2.136,423 0.876,424 1.676,425 1.478,426 3.396,427 1.228,428 0.488,429 0.55,431 1.276,432 0.293,433 1.544,434 1,435 3.247,436 0.989,437 0.332,438 0.369,440 0.757,441 0.165,442 1.37,443 0.916,444 2.91,445 0.921,446 -0.093,447 -0.123,449 -0.233,450 -0.091,451 0.832,452 0.424,453 2.338,454 0.45,455 -0.554,456 -0.686,458 -1.369,459 -0.384,460 0.744,461 0.422,462 2.306,463 0.249,464 -0.579,465 -0.751,467 -1.398,468 -0.584,469 13.09,470 0.503,471 0.92,472 0.035,473 33.25,474 1.279,475 16.5,476 0.635,477 16.75,478 0.644,479 24.136,480 0.928,481 27.11,482 0.775,483 27.234,484 1.047,485 6.667,486 0.256,487 5.585,488 0.215,489 0.32,491 0.451,496 0.679,497 1.078,498 0.475,499 0.638,500 0.643,501 0.643,502 0.537,503 1.096,504 0.558,505 0.697,506 0.546,507 0.776,508 0.803,509 1.066,510 0.579,511 0.738,512 0.914,513 0.806,514 0.974,515 1.145,516 0.619,517 0.877,518 1.139,519 0.836,520 0.805,521 0.963,522 0.536,523 0.883,524 0.991,525 0.78,526 1.151,527 1.052,528 0.782,529 0.976,530 1.227,531 0.979,532 1.337,533 0.928,534 1.22,535 1.206,536 1.405,537 1.163,538 1.181,539 0.77,540 1.541,541 1.258,542 1.138,543 1.258,544 5,545 0.07,546 3.556,547 3.424,548 2.793,549 1.39,550 0.795,551 0.579,552 0.267,553 0.138,554 6353,555 30202,556 1.948,557 25.7,559 6,562 1,564 2,567 1.7,568 1.733,569 3.073,570 -0.218,575 65.509,576 1.872,577 3.623,578 4.033,579 4.365,580 4.444,581 4.444,582 2.473,583 3.931,584 4.672,585 3.212,586 1043.87,587 8.144,588 12337.8,593 179.525,594 1.526,595 4.574,596 0.179,597 0.009,598 0.085,599 0.07,600 0.058,601 0.032,602 0.022,603 0.018,604 0.012,605 0.01,606 0.494,607 0.17,608 0.88,609 0.885,610 123.202,611 -0.072,612 -0.043,613 -0.013,614 0.042,615 -0.059,616 0.036,617 0.121,618 -0.029,619 0.023,620 0.05,621 0.085,622 -0.012,623 0.047,624 -0.054,625 0.283,626 0.171,627 -0.076,628 0.124,629 0.059,630 -0.131,631 0.27,632 0.102,633 -0.016,634 0.148,635 0.352,636 0.067,637 0.283,638 0.112,639 0.356,640 0.201,641 -0.148,642 -0.063,643 -0.018,644 -0.032,645 -0.123,646 -0.022,647 -0.173,648 -0.004,649 -0.186,650 -0.16,651 -0.178,652 -0.15,653 -0.07,654 0.105,655 -0.261,656 -0.16,657 -0.08,658 -0.181,659 3.007,660 5.777,661 0.577,662 19.462,663 1.057,664 1.103,665 4.215,666 17.762,667 0.795,668 3.367,669 3.761,670 4.111,671 4.419,672 4.663,673 4.754,674 4.86,675 4.905,676 4.852,677 4.682,678 5.249,679 0.781,680 433.07,681 3.367,682 4.949,683 5.844,684 6.767,685 7.688,686 8.62,687 9.552,688 10.49,689 11.428,690 12.37,691 2.9,698 1,709 5,714 7,716 12,737 4,738 35,739 15,740 2,741 28,743 37,744 17,745 12,746 7,747 5,748 2,752 3,753 4,754 4,766 2,768 15,769 2,772 3,778 3,782 3,789 9,790 5,791 1,792 9,793 4,797 1,800 1,803 0.667,804 4,822 1,823 2,826 1,840 1,853 1,855 2,860 4,862 26,868 1,869 1,874 1,875 1,885 4,886 11.4,888 1,889 3,893 15,894 6.471,895 5.667,896 1.971,898 2.196,899 1.307,900 0.953,901 5.398,902 9.351,903 3.638,904 4.263,905 4.844,906 5.403,907 5.918,908 6.091,909 6.336,910 6.528,911 6.712,912 6.713,913 0.833,914 49,915 9.769,917 4.574,918 8.382,919 17.186,921 14.336,924 2.882,925 74.944,929 94.169,930 83.794,931 3.124,932 156.595,933 118.118,936 83.794,937 368.882,938 3.124,940 5.659,941 47.381,942 128.437,943 23.559,945 94.169,946 156.595,947 94.169,948 86.918,949 118.118,950 156.595,952 70.627,953 141.66,956 5.659,957 81.26,958 156.595,960 94.169,961 121.242,962 240.389,965 94.169,966 36.413,967 50.506,969 274.713,970 94.169,971 121.242,972 240.389,973 0.602,974 0.378,975 0.206,976 0.116,977 21,978 12,979 0.108,980 4,981 1,982 1.133,983 3.442,984 232.379,985 0.133,986 15,987 104.211,993 19.298,994 7.272,995 3.191,997 121.242,998 8.613,1003 -0.651,1005 42.683,1006 455.8,1007 37,1013 37.326,1017 -3.092,1020 37.007,1021 38.603,1022 0.365,1023 0.706,1024 0.786,1025 0.851,1026 0.866,1027 0.866,1028 4.92,1029 1.482,1030 5.889,1031 4.926,1032 4.443,1033 4.949,1034 2.702,1035 6.817,1036 4.311,1037 6.169,1038 1,1039 7.535,1040 3.166,1041 4.29,1042 4.966,1043 2.283,1044 7.955,1045 4.045,1046 7.516,1047 0.933,1048 9.284,1049 2.32,1050 6.151,1051 7.164,1052 3.854,1053 11.149,1054 5.924,1055 8.898,1056 0.488,1057 11.088,1058 2.136,1059 6.792,1060 7.957,1061 4.199,1062 13.101,1063 6.458,1064 10.312,1065 0.332,1066 12.928,1067 1.276,1068 8.199,1069 9.705,1070 5.348,1071 15.859,1072 7.876,1073 11.75,1074 -0.093,1075 14.793,1076 0.757,1077 9.177,1078 10.853,1079 6.002,1080 18.157,1081 8.775,1082 13.207,1083 -0.554,1084 16.676,1085 -0.233,1086 10.444,1087 12.444,1088 6.988,1089 20.773,1090 10.032,1091 3.495,1092 -0.579,1093 18.574,1094 -1.369,1095 11.566,1096 13.768,1097 7.765,1098 23.221,1099 11.098,1100 2.993,1101 12.997,1102 20.483,1103 -1.398,1104 12.796,1105 15.299,1106 8.684,1107 25.792,1108 12.304,1109 2.599,1110 10.45,1111 22.404,1112 4.518,1113 13.981,1114 16.712,1115 9.512,1116 28.303,1117 13.444,1118 2.417,1119 8.393,1120 24.332,1121 3.577,1122 15.206,1123 18.222,1124 10.402,1125 30.862,1126 14.638,1127 2.357,1128 8.175,1129 26.268,1130 3.44,1131 16.42,1132 19.682,1133 11.25,1134 33.401,1135 15.811,1136 1.822,1137 6.907,1138 28.211,1139 3.137,1140 17.65,1141 21.186,1142 12.127,1143 35.958,1144 17.005,1145 1.653,1146 5.682,1147 30.159,1148 2.99,1149 18.878,1150 22.668,1151 12.985,1152 38.509,1153 18.194,1154 6392,1155 14127,1156 17.342,1157 27.824,1158 43.746,1159 47.353,1160 46.943,1161 43.111,1162 43.145,1163 55.64,1164 9.306,1165 134.372,1166 39.656,1167 5.726,1168 6.084,1169 7.11,1170 5.473,1171 5.495,1172 7.518,1173 3.992,1174 20.997,1175 5.348,1176 17.393,1177 1.562,1178 1.691,1179 1.677,1180 1.54,1181 1.541,1182 1.987,1183 0.332,1184 4.799,1185 1.416,1186 4.05,1187 4.056,1188 4.282,1189 3.983,1190 7.475,1191 3.985,1192 3.905,1193 3.928,1194 3.868,1195 3.855,1196 7.445,1197 3.846,1198 3.614,1199 3.629,1200 3.717,1201 3.451,1202 7.408,1203 3.47,1204 3.307,1205 3.294,1206 3.701,1207 3.139,1208 6.351,1209 3.156,1210 3.048,1211 3.072,1212 3.466,1213 2.966,1214 5.121,1215 2.952,1216 3.043,1217 3.014,1218 3.266,1219 2.815,1220 4.749,1221 2.84,1222 2.854,1223 2.925,1224 3.246,1225 2.735,1226 4.711,1227 2.715,1228 2.664,1229 2.634,1230 2.918,1231 2.385,1232 4.528,1233 2.446,1234 0.171,1235 0.146,1236 0.261,1237 0.159,1238 0.125,1239 4.8,1240 0.161,1241 4.084,1242 0.085,1243 7.308,1244 0.464,1245 4.453,1246 0.12,1247 3.495,1248 4.518,1249 2.377,1250 12.997,1251 3.348,1252 1.924,1253 1.895,1254 2.053,1255 2.016,1256 1.239,1257 2.028,1258 1.862,1259 1.872,1260 1.789,1261 1.884,1262 1.077,1263 1.886,1264 1.577,1265 1.547,1266 1.715,1267 1.798,1268 0.902,1269 1.766,1270 1.149,1271 1.142,1272 1.251,1273 1.418,1274 0.346,1275 1.349,1276 0.976,1277 0.999,1278 1.181,1279 1.243,1280 0.218,1281 1.214,1282 0.936,1283 0.919,1284 1.072,1285 1.115,1286 0.062,1287 1.107,1288 0.886,1289 0.821,1290 0.88,1291 1.062,1292 0.043,1293 1.074,1294 0.656,1295 0.677,1296 0.877,1297 0.805,1299 0.836,1300 4.043,1302 5.416,1303 2.398,1304 6.993,1305 4.949,1306 8.667,1307 7.235,1308 10.397,1311 24.032,1314 9.593,1315 -0.071,1320 -1.436,1321 0.629,1326 27.351,1327 65.509,1328 126.796,1329 141.16,1330 152.77,1331 155.525,1332 155.525,1333 89.249,1334 7.155,1335 76.37,1336 76.37,1337 17,1338 12.865,1339 4,1340 3.322,1341 43.928,1342 80,1343 90,1344 0.275,1345 181.424,1346 327.02,1347 434.435,1348 10140,1349 11.4,1350 19.171,1351 0.737,1352 0.609,1353 21.171,1354 15.826,1355 12.252,1356 0.438,1357 0.313,1358 7.298,1359 10.844,1360 7.047,1361 5.719,1362 13.406,1363 8.77,1364 11.534,1365 0.275,1366 0.168,1367 12.868,1368 7.042,1369 10.256,1370 0.171,1371 0.097,1372 12.468,1373 5.803,1374 8.472,1375 0.103,1376 0.046,1377 9.923,1378 3.79,1379 6.806,1380 0.065,1381 0.024,1382 7.948,1383 2.512,1384 0.41,1385 89.022,1386 0.24,1387 24.233,1388 0.825,1389 140,1390 531.815,1391 214.015,1392 625.899,1393 786.43,1394 572,1395 172,1396 462.264,1397 249.823,1398 504.653,1399 755.47,1400 473,1401 4.431}
{0 CHEMBL1722514,1 1.399,2 8.55,3 3.818,4 14.575,5 77.571,6 7.226,7 0.545,8 3.7,9 3.809,10 3.249,11 3.294,12 4.781,13 3.261,14 4.23,15 4.384,16 3.621,17 3.678,18 5.302,19 3.628,20 4.492,21 4.675,22 3.694,23 3.807,24 5.534,25 3.736,26 4.552,27 4.767,28 3.554,29 3.72,30 5.649,31 3.625,32 4.428,33 4.683,34 3.276,35 3.567,36 5.399,37 3.438,38 4.136,39 4.383,40 3.079,41 3.35,42 5.102,43 3.228,44 3.896,45 4.085,46 2.987,47 3.188,48 4.931,49 3.095,50 3.988,51 4.246,52 2.716,53 3.104,54 4.83,55 2.966,56 0.019,57 0.483,58 7.612,59 3.58,60 6.039,61 4.589,62 0.169,63 0.795,64 14.14,65 6.041,66 16.668,67 7.917,68 0.114,69 0.997,70 19.203,71 7.905,72 24.727,73 10.327,74 0.315,75 1.038,76 21.712,77 7.962,78 46.163,79 10.555,80 0.206,81 0.917,82 19.653,83 7.243,84 34.457,85 9.926,86 0.125,87 0.678,88 14.357,89 5.673,90 26.29,91 7.743,92 0.089,93 0.546,94 10.624,95 4.242,96 18.211,97 5.557,98 0.203,99 0.587,100 12.887,101 4.363,102 21.303,103 5.908,104 11,105 31,106 0.253,107 0.571,108 0.691,109 0.789,110 0.818,111 0.818,112 3.058,113 0.929,114 -4.8,115 -4.71,116 -4.43,120 45.9,121 2,123 1,129 1,143 8,144 3,145 1,159 1,174 13,177 4,180 2,182 2,185 15,189 5,194 3,197 11,200 1,201 6,206 4,209 7,214 4,219 2,222 8,227 3,232 1,235 9,240 3,245 2,247 8,252 1,260 6,264 2,271 7,274 464,275 13.43,276 13.43,277 13.43,278 13.43,279 13.43,280 11.913,281 15.614,282 7.841,283 13.569,284 10.844,285 10.844,286 10.844,287 10.844,288 10.844,289 8.507,290 15.95,291 3.696,292 11.083,293 3.81,294 2.054,295 1.392,296 0.852,297 0.689,298 0.689,299 3.738,305 1,306 1,307 1,308 367,309 2.449,313 154.051,317 82.548,320 1.35,321 16.551,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 42.5,333 171,334 4.393,335 3.693,336 6.52,337 4.066,338 3.101,339 3.966,340 1.509,341 10.245,342 2.997,343 4.137,344 3.201,345 6.093,346 3.801,347 2.804,348 3.71,349 1.001,350 8.832,351 2.796,352 3.762,353 2.952,354 5.88,355 3.536,356 2.553,357 3.022,358 0.217,359 8.041,360 2.502,361 3.403,362 2.707,363 5.063,364 2.999,365 2.013,366 2.639,368 5.788,369 1.969,370 2.966,371 1.886,372 4.51,373 2.62,374 1.669,375 2.12,377 4.516,378 1.576,379 2.737,380 1.51,381 3.812,382 2.371,383 1.386,384 1.794,386 3.062,387 1.361,388 2.514,389 1.314,390 3.625,391 2.123,392 1.13,393 1.5,395 2.764,396 1.119,397 2.5,398 1.151,399 3.558,400 2,401 1,402 1.478,404 2.285,405 1,406 2.273,407 1,408 3.414,409 1.905,410 0.914,411 1.205,413 2.275,414 0.898,415 1.22,416 0.653,417 2.716,418 0.818,419 -0.145,420 -0.181,422 -0.365,423 -0.137,424 0.913,425 0.01,426 2.572,427 0.583,428 -0.411,429 -0.495,431 -1.02,432 -0.403,433 0.681,434 -0.381,435 2,436 0.316,437 -0.646,438 -0.8,440 -1.644,441 -0.616,442 0.574,443 -0.563,444 2,445 0.118,446 -0.893,447 -1,449 -2,450 -0.9,451 0.5,452 -0.96,453 2,455 -1,456 -1.313,458 -2.132,459 -1,460 0.063,461 -1,462 1.738,464 -1,465 -1.5,467 -3,468 -1,469 9.567,470 0.478,471 0.524,472 0.026,473 26.25,474 1.313,475 14,476 0.7,477 12.25,478 0.613,479 14.251,480 0.713,481 21.033,482 0.568,483 17.273,484 0.864,485 5.099,486 0.255,487 4.549,488 0.227,489 0.139,491 0.366,496 0.738,497 1.098,498 0.8,499 1.01,500 0.634,501 0.924,502 0.749,503 1.007,504 0.833,505 0.984,506 0.575,507 0.932,508 1.065,509 1.198,510 0.949,511 1.135,512 0.878,513 1.047,514 1.252,515 1.103,516 1.076,517 1.051,518 1.11,519 1.04,520 1.099,521 0.895,522 0.988,523 0.891,524 1.069,525 0.915,526 0.888,527 0.857,528 0.871,529 0.875,530 1.247,531 0.873,532 1.198,533 1.2,534 1.145,535 1.164,536 1.182,537 1.151,538 1.537,539 0.663,540 1.209,541 0.727,542 0.818,543 0.878,544 4,545 0.037,546 2.667,547 1.25,548 1.169,549 0.743,550 0.283,551 0.158,552 0.201,553 0.101,554 3726,555 8631,556 2.077,557 45.9,558 7,559 8,560 1,562 1,567 1.616,568 1.935,569 3.086,570 -0.37,572 1,574 1,575 51.776,576 1.399,577 3.155,578 3.817,579 4.358,580 4.52,581 4.52,582 2.546,583 3.746,584 4.293,585 3.209,586 609.652,587 7.326,588 6095.01,590 1,591 1,592 1,593 192.75,594 1.441,595 4.248,596 0.182,597 0.007,598 0.086,599 0.039,600 0.045,601 0.037,602 0.017,603 0.011,604 0.018,605 0.011,606 0.453,607 0.83,608 1,609 0.843,610 88.025,611 -0.02,612 -0.009,613 0.047,614 0.006,615 -0.083,616 0.033,617 0.189,618 0.04,619 0.08,620 0.007,621 0.088,622 0.021,623 -0.019,624 -0.212,625 0.001,626 -0.152,627 -0.002,628 -0.087,629 0.038,630 -0.121,631 -0.068,632 -0.103,633 0.049,634 -0.1,635 -0.086,636 0.071,637 0.017,638 0.063,639 -0.016,640 0.058,641 -0.022,642 0.085,643 0.109,644 0.108,645 -0.012,646 0.124,647 -0.123,648 -0.205,649 -0.19,650 -0.194,651 -0.105,652 -0.201,653 -0.294,654 0.338,655 -0.175,656 0.2,657 -0.165,658 0.064,659 1.759,660 5.053,661 0.8,662 14.32,663 0.995,664 1.115,665 3.571,666 12.75,667 0.676,668 3.135,669 3.466,670 3.738,671 3.97,672 4.22,673 4.29,674 4.394,675 4.407,676 4.533,677 4.466,678 5.064,679 0.64,680 267.35,681 3.135,682 4.673,683 5.525,684 6.402,685 7.272,686 8.153,687 9.028,688 9.912,689 10.79,690 11.675,691 2.7,698 1,709 8,714 4,716 12,723 1,735 1,738 37,739 13,740 2,741 22,743 39,744 17,745 12,746 4,747 8,748 1,752 3,753 4,759 2,768 13,769 4,770 1,772 1,778 1,782 1,786 1,789 17,790 3,791 1,792 3,797 1,803 0.667,804 2,823 3,827 1,855 2,859 2,862 20,871 1,872 1,874 2,886 5.4,889 1,891 1,893 10.333,894 7.167,895 4.361,896 2.299,898 2.354,899 1.348,900 0.979,901 3.39,902 9.117,903 3.401,904 3.97,905 4.522,906 5.029,907 5.541,908 5.666,909 5.966,910 6.178,911 6.593,912 6.827,913 0.833,914 32,915 7.407,917 3.161,918 7.7,919 14.221,921 11.76,924 2.2,925 44,926 0.001,929 188.338,930 112.965,931 18.011,933 36.145,936 112.965,937 224.482,938 18.011,939 17.65,940 18.011,941 75.81,942 29.85,943 25.8,944 11.771,945 176.567,947 188.338,948 130.976,949 36.145,952 188.338,953 36.145,956 35.661,957 95.315,960 188.338,961 54.156,962 112.965,965 188.338,966 19.505,967 93.46,968 18.011,969 36.145,970 188.338,971 54.156,972 112.965,973 0.587,974 0.345,975 0.179,976 0.097,977 16,978 7,979 0.051,980 2,981 1,982 1.125,983 3.225,984 151.919,985 0.125,986 16,987 80.439,993 13.042,994 5.198,995 2.538,997 54.156,998 15.469,1003 3.449,1005 18.011,1006 355.458,1007 29,1013 12.053,1017 -0.093,1020 36.825,1021 41.239,1022 0.269,1023 0.606,1024 0.733,1025 0.837,1026 0.868,1027 0.868,1028 4.635,1029 1,1030 5.517,1031 2.764,1032 4.143,1033 4.654,1034 1.963,1035 6.33,1036 4.099,1037 5.83,1038 0.914,1039 7.083,1040 2.285,1041 3.761,1042 4.369,1043 0.877,1044 7.239,1045 3.704,1046 7.127,1047 -0.145,1048 8.748,1049 2.275,1050 5.74,1051 6.776,1052 2.364,1053 10.316,1054 5.65,1055 8.456,1056 -0.411,1057 10.47,1058 -0.365,1059 6.155,1060 7.277,1061 1.777,1062 12.023,1063 6.049,1064 9.816,1065 -0.646,1066 12.228,1067 -1.02,1068 7.622,1069 9.175,1070 2.91,1071 14.608,1072 7.487,1073 11.198,1074 -0.893,1075 14.009,1076 -1.644,1077 8.401,1078 10.054,1079 2.681,1080 16.641,1081 8.244,1082 12.597,1083 -1,1084 15.806,1085 -2,1086 9.655,1087 11.713,1088 3.557,1089 19.049,1090 9.47,1091 3.101,1092 -1,1093 17.615,1094 -2.132,1095 10.607,1096 12.795,1097 3.569,1098 21.227,1099 10.393,1100 2.804,1101 10.245,1102 19.432,1103 -3,1104 11.771,1105 14.326,1106 4.273,1107 23.569,1108 11.529,1109 2.553,1110 8.832,1111 21.256,1112 3.966,1113 12.804,1114 15.523,1115 4.439,1116 25.815,1117 12.531,1118 2.013,1119 8.041,1120 23.085,1121 3.71,1122 13.933,1123 16.983,1124 5.032,1125 28.135,1126 13.63,1127 1.669,1128 5.788,1129 24.918,1130 3.022,1131 15.006,1132 18.247,1133 5.294,1134 30.415,1135 14.67,1136 1.386,1137 4.516,1138 26.755,1139 2.639,1140 16.122,1141 19.666,1142 5.818,1143 32.728,1144 15.754,1145 1.13,1146 3.062,1147 28.594,1148 2.12,1149 17.216,1150 20.97,1151 6.138,1152 35.026,1153 16.813,1154 3655,1155 5697,1156 14.622,1157 25.006,1158 33.645,1159 34.424,1160 34.224,1161 33.17,1162 33.141,1163 42.866,1164 5.455,1165 95.617,1166 32.438,1167 5.338,1168 5.693,1169 6.202,1170 5.182,1171 5.101,1172 6.966,1173 2.717,1174 17.135,1175 4.997,1176 9.48,1177 1.529,1178 1.565,1179 1.556,1180 1.508,1181 1.506,1182 1.948,1183 0.248,1184 4.346,1185 1.474,1186 4.018,1187 4.04,1188 3.968,1189 3.934,1190 7.429,1191 3.936,1192 3.888,1193 3.913,1194 3.826,1195 3.827,1196 4.878,1197 3.824,1198 3.548,1199 3.61,1200 3.416,1201 3.417,1202 4.693,1203 3.405,1204 3.351,1205 3.404,1206 3.24,1207 3.14,1208 4.33,1209 3.162,1210 3.015,1211 3.034,1212 2.926,1213 2.834,1214 4.09,1215 2.844,1216 2.874,1217 3.009,1218 2.687,1219 2.735,1220 3.749,1221 2.715,1222 2.854,1223 2.925,1224 2.649,1225 2.665,1226 3.674,1227 2.653,1228 2.777,1229 2.831,1230 2.499,1231 2.618,1232 3.498,1233 2.57,1234 0.2,1235 0.168,1236 0.296,1237 0.185,1238 0.141,1239 4.393,1240 0.18,1241 3.693,1242 0.069,1243 6.52,1244 0.466,1245 4.066,1246 0.136,1247 3.101,1248 3.966,1249 1.509,1250 10.245,1251 2.997,1252 1.97,1253 1.948,1254 2.085,1255 2.077,1256 1.271,1257 2.075,1258 1.886,1259 1.864,1260 1.997,1261 1.977,1262 1.099,1263 1.987,1264 1.557,1265 1.497,1266 1.809,1267 1.726,1268 0.966,1269 1.757,1270 1.276,1271 1.228,1272 1.455,1273 1.527,1274 0.552,1275 1.514,1276 0.953,1277 0.92,1278 1.417,1279 1.239,1280 0.469,1281 1.308,1282 0.934,1283 0.821,1284 1.181,1285 1.167,1286 0.236,1287 1.156,1288 0.886,1289 0.804,1290 1.172,1291 1.062,1292 0.218,1293 1.107,1294 0.786,1295 0.736,1296 1.017,1297 0.952,1298 0.134,1299 0.978,1300 3.807,1302 5.13,1304 6.663,1306 8.288,1308 9.96,1310 4.314,1317 2.876,1318 5.857,1320 0.074,1326 23.665,1327 51.776,1328 116.75,1329 141.24,1330 161.24,1331 167.24,1332 167.24,1333 29.387,1334 6.763,1335 38.33,1336 38.33,1337 18,1338 12.208,1339 3.807,1340 3,1341 30.028,1342 60,1343 58,1344 0.251,1345 145.955,1346 253.88,1347 347.89,1348 6796,1350 14.113,1351 0.706,1352 0.579,1353 14.113,1354 11.59,1355 9.648,1356 0.439,1357 0.31,1358 6.752,1359 9.406,1360 6.523,1361 5.463,1362 9.648,1363 6.813,1364 8.836,1365 0.285,1366 0.171,1367 8.836,1368 5.289,1369 7.405,1370 0.181,1371 0.086,1372 7.405,1373 3.545,1374 6.084,1375 0.117,1376 0.045,1377 6.084,1378 2.317,1379 4.906,1380 0.073,1381 0.023,1382 4.906,1383 1.553,1384 0.386,1385 59.689,1386 0.262,1387 19.771,1388 0.71,1389 106,1390 285.804,1391 114.586,1392 277.059,1393 382.98,1394 260,1395 125,1396 284.972,1397 133.809,1398 289.043,1399 426.72,1400 273,1401 4.673}
{0 CHEMBL1734430,1 1.433,2 10.52,3 3.105,4 9.639,5 93.279,6 7.653,7 0.462,8 3.9,9 3.98,10 3.467,11 3.366,12 5.114,13 3.379,14 4.39,15 4.518,16 3.724,17 3.66,18 5.592,19 3.662,20 4.459,21 4.589,22 3.8,23 3.773,24 5.657,25 3.756,26 4.627,27 4.798,28 3.864,29 3.75,30 5.992,31 3.733,32 4.554,33 4.71,34 3.771,35 3.72,36 5.764,37 3.713,38 4.593,39 4.726,40 3.807,41 3.723,42 5.982,43 3.705,44 4.581,45 4.775,46 3.718,47 3.71,48 5.733,49 3.675,50 4.607,51 4.761,52 3.55,53 3.634,54 5.867,55 3.595,56 0.109,57 0.546,58 8.824,59 4.472,60 11.875,61 5.036,62 0.644,63 0.804,64 17.652,65 6.546,66 37.988,67 7.414,68 0.285,69 0.916,70 17.29,71 7.582,72 28.697,73 8.966,74 0.877,75 0.993,76 23.442,77 8.257,78 85.064,79 10.363,80 0.488,81 0.939,82 20.977,83 7.706,84 52.986,85 9.09,86 1.044,87 0.945,88 22.232,89 7.722,90 93.091,91 9.076,92 0.426,93 0.971,94 22.147,95 8.142,96 44.906,97 10.321,98 0.972,99 0.919,100 23.926,101 7.433,102 96.14,103 8.357,104 29,105 33,106 0.249,107 0.575,108 0.715,109 0.791,110 0.817,111 0.84,112 3.267,113 0.869,114 -4,115 -3.95,116 -3.74,120 42.2,125 2,127 2,136 2,143 7,144 2,145 3,158 1,174 8,176 2,177 6,182 2,185 13,189 1,197 8,200 2,201 10,204 3,206 2,209 6,214 3,219 1,222 5,226 4,227 7,230 2,232 1,235 4,240 5,245 2,247 5,251 2,252 5,257 2,260 4,264 6,269 1,271 2,274 1056,275 17.052,276 17.052,277 17.052,278 17.052,279 17.052,280 15.326,281 15.124,282 10.761,283 17.281,284 12.792,285 12.792,286 12.792,287 12.792,288 12.792,289 10.099,290 17.888,291 5.044,292 13.161,293 4.059,294 2.181,295 1.376,296 0.939,297 0.789,298 0.656,299 3.933,305 1,306 1,307 1,308 534,309 3.674,313 186.764,320 1.741,321 32.29,323 1,324 1,325 1,326 0.83,327 1,328 1,329 1,330 1,331 0.98,332 56,333 263,334 4.503,335 3.596,336 6.731,337 4.125,338 3.141,339 4.187,340 1.392,341 10.883,342 3.091,343 3.957,344 3.054,345 5.428,346 3.536,347 2.538,348 3.519,349 1.392,350 7.143,351 2.531,352 3.725,353 2.742,354 5.332,355 3.352,356 2.379,357 3.091,358 0.532,359 6.923,360 2.309,361 3.336,362 2.512,363 5.087,364 2.992,365 2.051,366 2.57,367 0.532,368 5.891,369 1.916,370 3.244,371 2.476,372 4.75,373 2.825,374 1.845,375 2.449,377 4.912,378 1.785,379 2.928,380 2.096,381 3.677,382 2.484,383 1.486,384 2.067,386 3.133,387 1.481,388 2.5,389 2.049,390 3.541,391 2.373,392 1.414,393 1.5,395 2.654,396 1.348,397 2.47,398 1.523,399 3.456,400 2.304,401 1.337,402 1.469,404 2.606,405 1.285,406 2.461,407 1.066,408 3.247,409 2,410 1,411 1.447,413 2.136,414 1,415 2.267,416 1,417 3.117,418 1.594,419 0.611,420 0.897,422 1.378,423 0.595,424 1.524,425 0.993,426 2.743,427 1.22,428 0.295,429 0.316,431 0.481,432 0.262,433 1.372,434 0.833,435 2.681,436 1.195,437 0.261,438 0.31,440 0.467,441 0.247,442 1.068,443 0.435,444 2.393,445 0.742,446 -0.212,447 -0.257,449 -0.479,450 -0.199,451 0.822,452 -0.067,453 2.148,454 0.457,455 -0.48,456 -0.582,458 -1.102,459 -0.443,460 0.797,461 -0.113,462 1.881,463 0.415,464 -0.615,465 -0.852,467 -1.342,468 -0.629,469 11.5,470 0.46,471 0.435,472 0.017,473 32,474 1.28,475 16.5,476 0.66,477 15.5,478 0.62,479 17.193,480 0.688,481 28.1,482 0.624,483 26.183,484 1.047,485 7.188,486 0.288,487 4.963,488 0.199,489 0.145,491 0.261,496 0.882,497 1.266,498 0.772,499 1.226,500 0.798,501 1.016,502 1.282,503 0.732,504 0.997,505 0.723,506 0.858,507 0.77,508 0.954,509 1.272,510 0.943,511 1.251,512 1.052,513 1.123,514 0.803,515 0.961,516 0.811,517 0.952,518 0.831,519 0.896,520 1.28,521 1.083,522 1.015,523 1.055,524 1.487,525 0.979,526 1.075,527 1.001,528 1.14,529 1.016,530 1.577,531 1.081,532 0.966,533 1.089,534 0.854,535 1.064,536 0.97,537 0.953,538 1.744,539 0.88,540 1.513,541 0.898,542 2.044,543 1.097,544 4,545 0.045,546 2,547 1.813,548 1.316,549 0.868,550 0.672,551 0.302,552 0.173,553 0.124,554 6502,555 20622,556 1.973,557 44.4,559 15,560 4,562 1,567 1.685,568 1.852,569 3.349,570 -0.317,571 1,572 1,574 1,575 64.474,576 1.433,577 3.311,578 4.116,579 4.553,580 4.703,581 4.836,582 2.863,583 4.324,584 4.607,585 3.511,586 1053.22,587 7.997,588 13019.8,590 1,592 1,593 247.133,594 1.359,595 4.575,596 0.154,597 0.003,598 0.061,599 0.052,600 0.038,601 0.026,602 0.021,603 0.01,604 0.007,605 0.007,606 0.378,607 0.33,608 1,609 1.483,610 121.088,611 -0.067,612 -0.14,613 0.037,614 -0.12,615 -0.114,616 -0.033,617 -0.09,618 0.298,619 -0.039,620 0.282,621 -0.066,622 0.163,623 -0.091,624 -0.212,625 -0.067,626 -0.201,627 -0.095,628 -0.141,629 0.28,630 0.021,631 0.18,632 0.022,633 0.348,634 0.064,635 -0.183,636 -0.082,637 -0.048,638 -0.068,639 -0.183,640 -0.029,641 0.214,642 -0.004,643 -0.147,644 -0.045,645 0.006,646 -0.168,647 -0.055,648 -0.108,649 0.113,650 -0.08,651 0.048,652 0.037,653 -0.299,654 0.078,655 -0.466,656 0.03,657 -0.403,658 -0.21,659 2.064,660 5.515,661 0.48,662 25.888,663 1.018,664 1.12,665 2.767,666 7.655,667 0.652,668 3.296,669 3.526,670 3.738,671 3.97,672 4.127,673 4.143,674 4.174,675 4.127,676 4.111,677 3.97,678 6.208,679 0.635,680 344.39,681 3.296,682 4.779,683 5.587,684 6.431,685 7.266,686 8.126,687 8.973,688 9.841,689 10.695,690 11.567,709 7,714 5,716 12,721 1,734 1,735 2,738 45,739 14,740 2,741 26,743 46,744 19,745 12,746 5,747 7,748 3,752 2,753 2,768 15,769 4,772 2,778 1,780 2,782 1,785 1,786 1,789 20,790 6,791 1,792 6,803 1,804 6,823 2,845 2,854 2,855 2,859 2,862 25,868 1,869 2,872 4,886 13.3,888 1,889 1,890 2,891 2,893 13.5,894 8.533,895 5.917,896 2.251,898 2.716,899 1.412,900 0.896,901 7.473,902 9.309,903 3.555,904 4.06,905 4.605,906 5.137,907 5.616,908 5.768,909 6.01,910 6.207,911 6.47,912 6.662,913 1,914 35,915 9.222,917 3.716,918 7.98,919 16.983,921 12.621,924 2.48,925 62,928 1,929 223.651,930 142.344,933 111.828,936 142.344,937 335.479,939 21.766,940 13.3,941 85.286,942 94.962,943 38.858,944 47.084,945 176.567,947 223.651,948 142.344,949 111.828,952 223.651,953 89.828,954 22,956 13.3,957 110.091,958 18.952,960 223.651,961 111.828,962 142.344,965 223.651,966 35.292,967 107.052,969 111.828,970 223.651,971 111.828,972 142.344,973 0.547,974 0.312,975 0.176,976 0.1,977 12,978 6,979 0.196,980 9,982 1,983 3.672,984 189.012,986 12,987 112.096,993 18.993,994 9.837,995 5.603,997 111.828,998 12.207,1003 1.135,1005 42.683,1006 477.823,1007 34,1013 12.515,1015 3.039,1017 -0.397,1020 45.8,1021 50.408,1022 0.261,1023 0.603,1024 0.749,1025 0.829,1026 0.856,1027 0.881,1028 4.736,1029 1.337,1030 5.525,1031 2.654,1032 4.205,1033 4.745,1034 2.29,1035 6.275,1036 4.156,1037 5.904,1038 1,1039 7.04,1040 2.606,1041 3.611,1042 4.388,1044 7.101,1045 3.544,1046 7.178,1047 0.611,1048 8.664,1049 2.136,1050 5.714,1051 6.868,1052 2.792,1053 10.226,1054 5.631,1055 8.493,1056 0.295,1057 10.358,1058 1.378,1059 5.994,1060 7.372,1062 11.969,1063 5.9,1064 9.846,1065 0.261,1066 12.099,1067 0.481,1068 7.526,1069 9.295,1070 3.405,1071 14.607,1072 7.418,1073 11.225,1074 -0.212,1075 13.875,1076 0.467,1077 8.245,1078 10.223,1080 16.736,1081 8.127,1082 12.626,1083 -0.48,1084 15.677,1085 -0.479,1086 9.535,1087 11.894,1088 4.047,1089 19.212,1090 9.403,1091 3.141,1092 -0.615,1093 17.5,1094 -1.102,1095 10.475,1096 13.05,1098 21.499,1099 10.33,1100 2.538,1101 10.883,1102 19.338,1103 -1.342,1104 11.665,1105 14.597,1106 4.699,1107 23.917,1108 11.507,1109 2.379,1110 7.143,1111 21.19,1112 4.187,1113 12.711,1114 15.877,1116 26.266,1117 12.538,1118 2.051,1119 6.923,1120 23.053,1121 3.519,1122 13.864,1123 17.362,1124 5.356,1125 28.664,1126 13.677,1127 1.845,1128 5.891,1129 24.925,1130 3.091,1131 14.96,1132 18.709,1134 31.036,1135 14.756,1136 1.486,1137 4.912,1138 26.803,1139 2.57,1140 16.102,1141 20.164,1142 6.014,1143 33.428,1144 15.883,1145 1.414,1146 3.133,1147 28.688,1148 2.449,1149 17.222,1150 21.548,1152 35.809,1153 16.986,1154 6653,1155 11961,1156 16.989,1157 29.341,1158 37.19,1159 38.612,1160 38.656,1161 36.738,1162 36.717,1163 47.643,1164 7.692,1165 97.216,1166 35.698,1167 5.322,1168 5.596,1169 6.595,1170 5.125,1171 5.141,1172 7.187,1173 2.783,1174 17.776,1175 5.091,1176 12.722,1177 1.43,1178 1.485,1179 1.487,1180 1.413,1181 1.412,1182 1.832,1183 0.296,1184 3.739,1185 1.373,1186 3.986,1187 3.996,1188 3.948,1189 3.908,1190 7.428,1191 3.912,1192 3.882,1193 3.901,1194 3.821,1195 3.813,1196 6.468,1197 3.815,1198 3.507,1199 3.525,1200 3.429,1201 3.355,1202 4.903,1203 3.363,1204 3.45,1205 3.481,1206 3.314,1207 3.117,1208 4.775,1209 3.156,1210 3.382,1211 3.424,1212 3.237,1213 3.087,1214 4.751,1215 3.115,1216 3.036,1217 3.091,1218 2.914,1219 2.851,1220 4.507,1221 2.86,1222 3.015,1223 3.062,1224 2.867,1225 2.771,1226 4.215,1227 2.782,1228 2.863,1229 2.925,1230 2.7,1231 2.735,1232 4.147,1233 2.715,1234 0.173,1235 0.138,1236 0.259,1237 0.159,1238 0.121,1239 4.503,1240 0.161,1241 3.596,1242 0.054,1243 6.731,1244 0.419,1245 4.125,1246 0.119,1247 3.141,1248 4.187,1249 1.392,1250 10.883,1251 3.091,1252 1.937,1253 1.921,1254 2.045,1255 2.028,1256 1.119,1257 2.027,1258 1.865,1259 1.852,1260 1.939,1261 1.966,1262 1.056,1263 1.963,1264 1.445,1265 1.421,1266 1.65,1267 1.696,1268 0.678,1269 1.673,1270 1.328,1271 1.282,1272 1.639,1273 1.662,1274 0.664,1275 1.649,1276 1.293,1277 1.239,1278 1.586,1279 1.557,1280 0.611,1281 1.564,1282 0.992,1283 0.944,1284 1.339,1285 1.285,1286 0.467,1287 1.305,1288 0.953,1289 0.896,1290 1.303,1291 1.252,1292 0.451,1293 1.265,1294 0.886,1295 0.821,1296 1.181,1297 1.063,1298 0.218,1299 1.107,1300 3.97,1302 5.22,1304 6.673,1306 8.232,1308 9.853,1310 2.941,1314 10.242,1315 -0.069,1318 20.388,1326 28.557,1327 64.474,1328 148.978,1329 185.217,1330 204.869,1331 211.624,1332 217.624,1333 56.346,1334 6.593,1335 74.22,1336 74.22,1337 12,1338 12.113,1339 3.907,1340 3.17,1341 51.399,1342 88,1343 103,1344 0.277,1345 178.796,1346 322.36,1347 428.023,1348 5569,1350 18.071,1351 0.723,1352 0.564,1353 18.071,1354 14.099,1355 12.151,1356 0.467,1357 0.29,1358 7.342,1359 11.439,1360 7.108,1361 5.986,1362 12.151,1363 7.533,1364 9.995,1365 0.303,1366 0.152,1367 9.995,1368 5.026,1369 7.849,1370 0.191,1371 0.078,1372 7.849,1373 3.204,1374 6.526,1375 0.126,1376 0.04,1377 6.526,1378 2.09,1379 4.973,1380 0.082,1381 0.022,1382 4.973,1383 1.355,1384 0.43,1385 78.294,1386 0.243,1387 24.418,1388 0.772,1389 118,1390 458.827,1391 134.163,1392 419.16,1393 546.05,1394 392,1395 133,1396 364.03,1397 147.95,1398 373.192,1399 535.85,1400 341,1401 4.655}
{0 CHEMBL1734949,1 1.401,2 9.429,3 4.576,4 20.94,5 111.237,6 7.41,7 0.548,8 3.993,9 4.103,10 3.566,11 3.626,12 5.105,13 3.586,14 4.518,15 4.673,16 3.95,17 4.031,18 5.569,19 3.978,20 4.813,21 4.991,22 4,23 4.173,24 5.901,25 4.088,26 4.951,27 5.21,28 3.987,29 4.107,30 6.075,31 4.017,32 4.711,33 4.889,34 3.892,35 3.994,36 5.945,37 3.946,38 4.588,39 4.753,40 3.912,41 4.002,42 5.78,43 3.938,44 4.68,45 4.884,46 3.887,47 4.064,48 5.743,49 3.981,50 4.734,51 4.905,52 3.911,53 4.098,54 5.925,55 4.01,56 0.043,57 0.66,58 9.64,59 4.713,60 6.475,61 6.11,62 0.06,63 1.101,64 17.738,65 7.949,66 15.35,67 10.565,68 0.16,69 1.444,70 25.327,71 10.559,72 40.685,73 13.853,74 0.38,75 1.631,76 33.208,77 12.067,78 78.865,79 16.696,80 0.393,81 1.269,82 24.611,83 8.573,84 77.342,85 10.353,86 0.331,87 1.168,88 19.988,89 8.107,90 37.763,91 10.757,92 0.153,93 1.267,94 22.738,95 9.384,96 26.055,97 12.635,98 0.132,99 1.28,100 23.389,101 10.255,102 42.275,103 13.206,104 17,105 45,106 0.233,107 0.541,108 0.659,109 0.736,110 0.774,111 0.781,112 3.375,113 0.911,114 -4.99,115 -4.89,116 -4.59,120 48,121 2,122 2,124 1,136 1,137 1,143 10,144 2,145 1,147 1,152 1,157 2,167 1,174 16,177 9,185 20,189 13,197 11,200 1,201 17,209 12,214 4,222 14,226 4,227 7,235 18,240 6,247 18,252 12,260 21,264 6,271 18,274 1294,275 18.654,276 18.654,277 18.654,278 18.654,279 18.654,280 16.292,281 13.606,282 10.957,283 18.683,284 15.347,285 15.347,286 15.347,287 15.347,288 15.347,289 11.714,290 12.044,291 5.258,292 15.392,293 4.243,294 2.389,295 1.685,296 1.22,297 0.99,298 0.95,299 4.068,306 1,307 1,308 570,309 2.828,312 76.439,313 275.188,320 1.327,321 26.021,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59,333 264,334 4.549,335 3.851,336 6.847,337 4.326,338 3.317,339 4.246,340 1.277,341 11.411,342 3.347,343 4.406,344 3.326,345 6.6,346 4.11,347 3.134,348 3.746,349 1.277,350 10.594,351 3.059,352 4.05,353 3.176,354 6.228,355 3.731,356 2.725,357 3.601,359 9.151,360 2.747,361 3.951,362 3.021,363 6.049,364 3.643,365 2.658,366 3.176,368 8.7,369 2.601,370 3.612,371 2.759,372 5.219,373 3.166,374 2.167,375 3,377 6.29,378 2.164,379 3.303,380 2.223,381 4.956,382 2.949,383 1.879,384 2.422,386 5.321,387 2,388 3.154,389 1.778,390 4.395,391 2.695,392 1.708,393 2.414,395 4.273,396 1.684,397 2.936,398 1.61,399 4.121,400 2.503,401 1.507,402 2.086,404 3.585,405 1.499,406 2.619,407 1.326,408 3.553,409 2.105,410 1.113,411 1.631,413 2.689,414 1.102,415 2.5,416 1.028,417 3.473,418 2,419 1,420 1.5,422 2.217,423 1,424 2.5,425 1,426 3.44,427 2,428 1,429 1.5,431 2.136,432 1,433 2.337,434 1,435 3.247,436 1.792,437 0.822,438 1.223,440 2.136,441 0.794,442 2.231,443 0.81,444 3.247,445 1.617,446 0.591,447 0.893,449 1.668,450 0.603,451 1,452 0.729,453 3.209,454 0.721,455 -0.347,456 -0.414,458 -0.981,459 -0.368,460 0.855,461 0.359,462 2.798,463 0.582,464 -0.413,465 -0.464,467 -1.224,468 -0.41,469 13.467,470 0.481,471 0.831,472 0.03,473 37.25,474 1.33,475 20.5,476 0.732,477 16.75,478 0.598,479 23.4,480 0.836,481 28.533,482 0.571,483 28.712,484 1.025,485 7.204,486 0.257,487 6.224,488 0.222,489 0.124,490 0.037,491 0.29,496 0.5,497 1.019,498 0.761,499 0.965,500 0.532,501 0.907,502 0.642,503 1.129,504 0.777,505 0.984,506 0.571,507 0.908,508 1.083,509 1.291,510 1.119,511 1.215,512 1.066,513 1.179,514 0.975,515 0.891,516 0.752,517 0.786,518 0.854,519 0.741,520 2.363,521 0.918,522 1.247,523 0.79,524 2.402,525 0.874,526 0.821,527 1.055,528 0.993,529 1.023,530 0.95,531 1.027,532 0.846,533 0.877,534 0.909,535 0.918,536 0.681,537 0.908,538 1.129,539 1.23,540 1.111,541 1.262,542 1.22,543 1.205,544 6.5,545 0.157,546 3.333,547 2.382,548 1.638,549 0.938,550 0.828,551 0.518,552 0.416,553 0.296,554 9096,555 21876,556 2.085,557 44,558 6,559 11,560 1,563 4,567 1.718,568 1.942,569 3.196,570 -0.848,575 70.046,576 1.401,577 3.255,578 3.959,579 4.423,580 4.654,581 4.694,582 2.625,583 4.164,584 4.779,585 3.378,586 1276.94,587 8.352,588 16628,590 1,593 282.193,594 1.572,595 4.728,596 0.21,597 0.01,598 0.074,599 0.054,600 0.038,601 0.023,602 0.02,603 0.013,604 0.01,605 0.011,606 0.463,607 0.5,608 1,609 0.573,610 138.241,611 0.08,612 0.04,613 0.055,614 0.017,615 -0.034,616 0.025,617 0.031,618 -0.093,619 0.099,620 -0.007,621 0.018,622 0.043,623 -0.086,624 -0.278,625 -0.187,626 -0.25,627 -0.092,628 -0.236,629 0.151,630 0.105,631 0.292,632 0.178,633 0.208,634 0.244,635 -0.425,636 0.125,637 -0.213,638 0.139,639 -0.376,640 0.009,641 0.254,642 0.003,643 -0.065,644 -0.073,645 0.037,646 -0.107,647 -0.04,648 0.14,649 0.03,650 0.058,651 0.047,652 0.061,653 -0.06,654 -0.274,655 -0.177,656 -0.271,657 -0.021,658 -0.245,659 1.757,660 5.633,661 0.821,662 23.842,663 0.994,664 1.111,665 3.76,666 14.141,667 0.691,668 3.466,669 3.829,670 4.078,671 4.382,672 4.585,673 4.7,674 4.82,675 4.977,676 5.106,677 5.187,678 5.941,679 0.655,680 370.48,681 3.466,682 5.03,683 5.883,684 6.786,685 7.657,686 8.565,687 9.446,688 10.357,689 11.243,690 12.155,691 4,699 1,701 1,709 11,710 1,714 4,715 1,716 17,738 50,739 20,740 2,741 31,743 53,744 24,745 15,746 2,747 10,748 4,752 4,753 4,759 2,760 1,762 1,763 2,766 2,768 19,769 5,772 3,778 2,780 1,782 3,786 1,789 22,790 3,792 4,797 2,803 1,804 2,814 1,822 1,823 3,836 2,845 1,846 1,855 4,859 2,862 28,869 2,876 1,886 4,889 2,893 14.417,894 9.733,895 5.972,896 3.012,898 3.052,899 1.41,900 0.985,901 4.664,902 10.498,903 3.773,904 4.373,905 4.944,906 5.537,907 6.038,908 6.401,909 6.899,910 7.349,911 7.739,912 8.102,913 1,914 44,915 10.411,917 4.535,918 7.747,919 19.889,921 16.713,924 2.247,925 62.917,927 1,928 1,929 258.964,930 161.343,931 18.44,933 50.29,936 161.343,937 309.254,938 18.44,939 17.65,940 5.069,941 113.286,942 77.22,943 16.847,944 11.771,945 247.193,947 258.964,948 179.782,949 50.29,952 258.964,953 50.29,956 27.253,957 126.39,958 26.139,960 258.964,961 68.729,962 161.343,965 258.964,966 30.406,967 132.713,969 66.953,970 258.964,971 68.729,972 161.343,973 0.59,974 0.335,975 0.188,976 0.1,977 23,978 10,979 0.057,980 3,982 1,983 3.87,984 252.665,986 23,987 114.606,993 18.281,994 7.144,995 3.814,997 66.953,998 21.491,999 4.744,1003 3.39,1004 1.788,1006 489.036,1007 42.5,1013 25.266,1015 1.717,1017 0.101,1020 49.694,1021 55.567,1022 0.248,1023 0.577,1024 0.701,1025 0.784,1026 0.825,1027 0.832,1028 5.026,1029 1.507,1030 5.911,1031 4.273,1032 4.511,1033 5.059,1034 2.019,1035 6.772,1036 4.507,1037 6.258,1038 1.113,1039 7.503,1040 3.585,1041 4.29,1042 4.856,1044 7.915,1045 4.291,1046 7.583,1047 1,1048 9.202,1049 2.689,1050 6.196,1051 7.23,1052 2.456,1053 10.949,1054 6.183,1055 8.942,1056 1,1057 10.965,1058 2.217,1059 6.77,1060 7.815,1062 12.861,1063 6.759,1064 10.33,1065 0.822,1066 12.766,1067 2.136,1068 8.199,1069 9.676,1070 2.912,1071 15.464,1072 8.178,1073 11.74,1074 0.591,1075 14.592,1076 2.136,1077 9.108,1078 10.643,1080 17.662,1081 9.091,1082 13.166,1083 -0.347,1084 16.435,1085 1.668,1086 10.365,1087 12.275,1088 3.38,1089 20.128,1090 10.343,1091 3.317,1092 -0.413,1093 18.29,1094 -0.981,1095 11.421,1096 13.448,1098 22.442,1099 11.403,1100 3.134,1101 11.411,1102 20.154,1103 -1.224,1104 12.617,1105 14.97,1106 3.857,1107 24.864,1108 12.598,1109 2.725,1110 10.594,1111 22.025,1112 4.246,1113 13.737,1114 16.256,1116 27.229,1117 13.724,1118 2.658,1119 9.151,1120 23.9,1121 3.746,1122 14.913,1123 17.725,1124 4.338,1125 29.639,1126 14.904,1127 2.167,1128 8.7,1129 25.78,1130 3.601,1131 16.063,1132 19.075,1134 32.029,1135 16.06,1136 1.879,1137 6.29,1138 27.664,1139 3.176,1140 17.236,1141 20.521,1142 4.823,1143 34.438,1144 17.239,1145 1.708,1146 5.321,1147 29.551,1148 3,1149 18.4,1150 21.907,1152 36.84,1153 18.411,1154 8703,1155 13626,1156 20.572,1157 34.534,1158 48.649,1159 49.643,1160 47.878,1161 47.19,1162 47.243,1163 62.877,1164 5.11,1165 140.338,1166 47.203,1167 5.549,1168 5.851,1169 6.649,1170 5.326,1171 5.317,1172 7.246,1173 2.555,1174 18.719,1175 5.347,1176 13.469,1177 1.569,1178 1.601,1179 1.544,1180 1.522,1181 1.524,1182 2.028,1183 0.165,1184 4.527,1185 1.523,1186 4.085,1187 4.123,1188 4.049,1189 3.983,1190 7.442,1191 3.992,1192 3.91,1193 3.94,1194 3.842,1195 3.813,1196 7.411,1197 3.814,1198 3.86,1199 3.891,1200 3.79,1201 3.803,1202 5.001,1203 3.796,1204 3.669,1205 3.714,1206 3.591,1207 3.567,1208 4.731,1209 3.567,1210 3.395,1211 3.441,1212 3.288,1213 3.238,1214 4.597,1215 3.246,1216 3.166,1217 3.187,1218 3.084,1219 2.933,1220 4.281,1221 2.958,1222 2.921,1223 3.009,1224 2.822,1225 2.798,1226 3.999,1227 2.796,1228 2.874,1229 2.982,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.147,1235 0.124,1236 0.221,1237 0.14,1238 0.107,1239 4.549,1240 0.137,1241 3.851,1242 0.041,1243 6.847,1244 0.368,1245 4.326,1246 0.108,1247 3.317,1248 4.246,1249 1.277,1250 11.411,1251 3.347,1252 1.939,1253 1.917,1254 2.07,1255 2.044,1256 1.368,1257 2.051,1258 1.904,1259 1.872,1260 2.021,1261 2.014,1262 1.111,1263 2.015,1264 1.879,1265 1.85,1266 2.013,1267 1.97,1268 1.081,1269 1.986,1270 1.569,1271 1.533,1272 1.722,1273 1.683,1274 0.849,1275 1.699,1276 1.26,1277 1.211,1278 1.46,1279 1.517,1280 0.573,1281 1.488,1282 1.2,1283 1.143,1284 1.417,1285 1.392,1286 0.564,1287 1.388,1288 1.081,1289 1.045,1290 1.352,1291 1.342,1292 0.469,1293 1.335,1294 0.934,1295 0.821,1296 1.322,1297 1.239,1298 0.373,1299 1.308,1300 4.143,1302 5.493,1303 2.398,1304 7.031,1305 4.727,1306 8.654,1307 6.843,1308 10.321,1310 3.921,1315 0.774,1322 -0.276,1326 32.74,1327 70.046,1328 162.735,1329 197.954,1330 221.173,1331 232.683,1332 234.683,1333 56.135,1334 7.446,1335 51.96,1336 51.96,1337 23,1338 12.674,1339 4.392,1340 3.644,1341 42.056,1342 96,1343 98,1344 0.208,1345 200.793,1346 352.16,1347 481.694,1348 15437,1350 19.725,1351 0.704,1352 0.573,1353 19.725,1354 16.053,1355 13.427,1356 0.433,1357 0.304,1358 9.351,1359 13.14,1360 9.011,1361 7.534,1362 13.427,1363 9.415,1364 12.878,1365 0.286,1366 0.178,1367 12.878,1368 8.001,1369 10.144,1370 0.175,1371 0.086,1372 10.144,1373 4.989,1374 9.107,1375 0.115,1376 0.046,1377 9.107,1378 3.621,1379 6.773,1380 0.07,1381 0.025,1382 6.773,1383 2.384,1384 0.318,1385 82.703,1386 0.22,1387 26.26,1388 0.601,1389 152,1390 398.761,1391 160.676,1392 395.016,1393 542.29,1394 368,1395 179,1396 402.791,1397 188.76,1398 413.32,1399 601.75,1400 388,1401 4.684}
{0 CHEMBL17639,1 1.967,2 7.211,3 -0.398,4 0.159,5 67.184,6 9.217,7 0.476,8 3.622,9 3.728,10 3.334,11 3.004,12 4.846,13 3.064,14 4.163,15 4.303,16 3.788,17 3.409,18 5.405,19 3.459,20 4.392,21 4.57,22 3.788,23 3.49,24 5.645,25 3.505,26 4.388,27 4.587,28 3.777,29 3.453,30 5.701,31 3.444,32 4.282,33 4.51,34 3.524,35 3.348,36 5.409,37 3.29,38 4.029,39 4.227,40 3.414,41 3.111,42 5.363,43 3.086,44 3.894,45 4.103,46 3.155,47 2.927,48 5.183,49 2.88,50 3.576,51 3.793,52 2.892,53 2.55,54 5.041,55 2.478,56 0.238,57 0.474,58 4.875,59 2.179,60 27.76,61 2.559,62 0.547,63 0.714,64 11.171,65 3.785,66 49.386,67 4.607,68 0.851,69 0.76,70 16.6,71 4.948,72 76.369,73 6.319,74 0.856,75 0.709,76 18.192,77 4.773,78 79.513,79 6.527,80 0.703,81 0.587,82 19.967,83 4.5,84 62.321,85 6.239,86 0.578,87 0.465,88 15.078,89 3.638,90 51.397,91 4.92,92 0.497,93 0.366,94 13.293,95 2.884,96 51.411,97 3.848,98 0.39,99 0.229,100 11.345,101 2.274,102 48.105,103 3.143,104 18,105 31,106 0.375,107 0.745,108 0.883,109 0.907,110 0.907,111 0.907,112 3.012,113 0.868,114 -2.18,115 -2.23,116 -2.2,120 32.3,122 1,126 1,128 2,129 1,147 1,148 1,151 1,161 1,162 1,164 1,165 1,166 1,176 4,177 4,179 1,180 1,182 1,188 2,191 1,192 3,200 3,201 3,203 2,204 3,205 1,206 2,211 1,214 1,217 1,226 1,227 2,229 1,230 3,232 1,235 1,237 1,243 2,255 1,256 1,257 1,259 1,267 1,268 1,269 1,270 1,274 392,275 12.679,276 12.679,277 12.679,278 12.679,279 12.679,280 11.477,281 14.468,282 7.162,283 13.309,284 10.281,285 10.281,286 10.281,287 10.281,288 10.281,289 8.439,290 18.001,291 3.299,292 11.444,293 2.987,294 1.045,295 0.323,296 0.194,297 0.194,298 0.194,299 3.682,304 1,306 1,307 1,308 292,309 2.236,312 80.32,313 44.608,316 67.823,320 1.086,321 30.413,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 43.833,333 137,334 4.652,335 3.458,336 6.821,337 4.168,338 3.245,339 4.608,340 1.041,341 11.293,342 2.997,343 4.008,344 3.171,345 6.214,346 3.828,347 2.9,348 3.31,350 9.239,351 2.684,352 3.683,353 2.785,354 5.837,355 3.336,356 2.429,357 2.916,359 7.828,360 2.207,361 3.49,362 2.511,363 5.016,364 2.931,365 2.11,366 2.79,368 5.935,369 1.656,370 2.975,371 1.969,372 4.997,373 2.658,374 1.735,375 2.08,377 5.34,378 1.596,379 2.556,380 1.852,381 4.178,382 2.292,383 1.388,384 1.577,386 3.611,387 1.243,388 2.393,389 1.237,390 4.032,391 2.008,392 1.115,393 1.391,395 2.924,396 0.981,397 2.153,398 1.138,399 3.694,400 1.733,401 0.85,402 1.07,404 2.382,405 0.738,406 1.328,407 0.876,408 2.725,409 1.169,410 0.318,411 0.32,413 0.483,414 0.268,415 1.121,416 0.189,417 2.681,418 0.644,419 -0.237,420 -0.306,422 -0.615,423 -0.188,424 0.807,425 -0.083,426 2.58,427 0.318,428 -0.503,429 -0.605,431 -1.237,432 -0.361,433 0.352,434 -0.182,435 2.156,436 0.173,437 -0.664,438 -0.675,440 -1.462,441 -0.556,442 0.202,443 -0.695,444 2,445 -0.179,446 -1,447 -1.128,449 -2.789,450 -0.802,451 0.066,452 -1.067,453 1.683,454 -0.327,455 -1.242,456 -1.505,458 -3.417,459 -1.127,460 -0.225,461 -1.222,462 1.489,463 -0.562,464 -1.449,465 -1.667,467 -3.93,468 -1.249,469 8.714,470 0.459,471 0.575,472 0.03,473 22.75,474 1.197,475 8.5,476 0.447,477 14.25,478 0.75,479 14.804,480 0.779,481 21.886,482 0.706,483 15.339,484 0.807,485 4.441,486 0.234,487 4.655,488 0.245,489 0.204,491 0.448,496 1.064,497 1.703,498 0.599,499 1.04,500 1.089,501 0.852,502 0.949,503 1.102,504 0.647,505 0.978,506 0.853,507 0.883,508 1.046,509 1.145,510 0.713,511 0.892,512 0.904,513 0.922,514 0.858,515 0.919,516 0.77,517 0.895,518 0.822,519 0.961,520 1.064,521 0.896,522 1.122,523 0.926,524 1.069,525 0.989,526 0.793,527 0.962,528 1.063,529 1.137,530 0.856,531 1.08,532 1.216,533 0.982,534 1.35,535 1.057,536 1.259,537 1.131,538 0.867,539 1.025,540 1.46,541 1.402,542 0.987,543 1.319,544 4.5,546 2.667,547 1.889,548 1.269,549 0.611,550 0.343,551 0.326,552 0.103,553 0.016,554 2933,555 11477,556 2.05,557 38.7,559 4,560 1,561 1,562 4,566 2,567 1.607,568 1.869,569 2.879,570 2.193,572 1,575 60.977,576 1.967,577 3.909,578 4.632,579 4.761,580 4.761,581 4.761,582 2.268,583 4.143,584 4.221,585 2.975,586 508.688,587 7.207,588 4835.73,593 153.58,594 1.529,595 4.153,596 0.214,598 0.086,599 0.063,600 0.047,601 0.031,602 0.019,603 0.025,604 0.013,605 0.005,606 0.503,607 0.5,608 1,609 0.92,610 80.534,611 -0.27,612 -0.381,613 -0.022,614 -0.034,615 -0.252,616 0.037,617 -0.035,618 0.09,619 0.039,620 -0.02,621 -0.062,622 0.009,623 -0.031,624 -0.145,625 0.037,626 0.041,627 -0.003,628 0.017,629 0.112,630 0.056,631 0.077,632 0.032,633 0.095,634 -0.01,635 -0.168,636 0.014,637 -0.063,638 0.056,639 -0.167,640 0.025,641 0.157,642 -0.013,643 -0.012,644 -0.136,645 0.082,646 -0.083,647 -0.22,648 -0.074,649 -0.219,650 -0.092,651 -0.201,652 -0.169,653 0.133,654 -0.195,655 -0.107,656 -0.378,657 0.209,658 -0.298,659 2.067,660 3.737,661 0.737,662 11.363,663 1.044,664 1.152,665 0.953,666 0.908,667 0.655,668 3.091,669 3.466,670 3.784,671 4.094,672 4.248,673 4.394,674 4.443,675 4.564,676 4.511,677 4.304,678 4.451,679 0.651,680 285.72,681 3.091,682 4.654,683 5.533,684 6.444,685 7.343,686 8.258,687 9.164,688 10.081,689 10.989,690 11.907,691 16.1,695 1,699 1,701 3,708 2,709 1,710 3,714 2,715 1,716 10,728 1,737 1,738 31,739 10,741 21,743 33,744 10,745 5,752 3,753 4,754 1,759 1,763 3,766 3,768 5,769 5,786 1,789 12,790 7,791 4,792 9,793 1,794 1,797 5,803 0.667,804 3,805 1,806 1,810 1,817 1,822 2,823 1,826 1,853 2,854 1,855 2,860 1,862 19,863 1,868 2,869 2,872 1,874 3,885 1,886 9.7,887 2,890 1,893 10.167,894 5.176,895 4.139,896 1.633,898 2.095,899 1.313,900 0.902,901 3.221,902 8.787,903 3.296,904 3.937,905 4.568,906 5.205,907 5.684,908 6.071,909 6.381,910 6.75,911 6.695,912 6.66,913 0.8,914 30,915 7.015,917 3.138,918 8.146,919 12.82,921 10.758,924 2.646,925 50.278,929 94.169,930 19.983,931 85.153,932 39.149,933 96.367,936 19.983,937 229.684,938 85.153,940 2.535,941 118.264,942 83.461,943 4.043,944 55.891,945 70.627,947 94.169,948 105.136,949 96.367,950 39.149,952 94.169,954 96.367,956 19.555,957 35.225,958 50.357,959 39.149,960 94.169,961 181.519,962 59.132,965 94.169,966 11.365,967 10.518,969 218.769,970 94.169,971 181.519,972 59.132,973 0.594,974 0.363,975 0.202,976 0.102,977 17,978 8,979 0.061,980 2,981 1,982 1.143,983 3.043,984 146.89,985 0.143,986 14,987 80.711,993 12.869,994 4.755,995 2.124,996 0.864,997 179.62,998 1.503,999 11.991,1003 0.204,1004 1.623,1005 118.264,1006 334.82,1007 26,1020 32.349,1021 35.725,1022 0.397,1023 0.789,1024 0.935,1025 0.961,1026 0.961,1027 0.961,1028 4.57,1029 0.85,1030 5.557,1031 2.924,1032 4.143,1033 4.62,1034 1.153,1035 6.431,1036 3.943,1037 5.792,1038 0.318,1039 7.16,1040 2.382,1041 3.892,1042 4.605,1044 7.434,1045 3.593,1046 7.124,1047 -0.237,1048 8.859,1049 0.483,1050 5.802,1051 6.889,1052 1.208,1053 10.559,1054 5.44,1055 8.493,1056 -0.503,1057 10.612,1058 -0.615,1059 6.347,1060 7.726,1062 12.375,1063 5.906,1064 9.896,1065 -0.664,1066 12.4,1067 -1.237,1068 7.767,1069 9.534,1070 1.265,1071 15.028,1072 7.259,1073 11.323,1074 -1,1075 14.211,1076 -1.462,1077 8.658,1078 10.757,1080 17.181,1081 8.075,1082 12.77,1083 -1.242,1084 16.04,1085 -2.789,1086 9.901,1087 12.39,1088 1.324,1089 19.674,1090 9.248,1091 3.245,1092 -1.449,1093 17.883,1094 -3.417,1095 10.942,1096 13.788,1098 21.973,1099 10.213,1100 2.9,1101 11.293,1102 19.736,1103 -3.93,1104 12.123,1105 15.354,1106 1.383,1107 24.412,1108 11.321,1109 2.429,1110 9.239,1111 21.599,1112 4.608,1113 13.23,1114 16.827,1116 26.774,1117 12.35,1118 2.11,1119 7.828,1120 23.469,1121 3.31,1122 14.392,1123 18.368,1124 1.444,1125 29.196,1126 13.437,1127 1.735,1128 5.935,1129 25.344,1130 2.916,1131 15.528,1132 19.873,1134 31.588,1135 14.494,1136 1.388,1137 5.34,1138 27.225,1139 2.79,1140 16.686,1141 21.405,1142 1.506,1143 34.006,1144 15.576,1145 1.115,1146 3.611,1147 29.111,1148 2.08,1149 17.836,1150 22.923,1152 36.412,1153 16.647,1154 2942,1155 5896,1156 13.641,1157 20.296,1158 32.189,1159 33.019,1160 34.338,1161 32.304,1162 32.179,1163 40.124,1164 2.082,1165 98.067,1166 28.74,1167 5.555,1168 5.458,1169 6.345,1170 5.274,1171 5.245,1172 7.608,1173 2.082,1174 18.713,1175 4.892,1176 10.348,1177 1.533,1178 1.572,1179 1.635,1180 1.538,1181 1.532,1182 1.911,1183 0.099,1184 4.67,1185 1.369,1186 4.103,1187 4.154,1188 4.129,1189 3.907,1190 6.466,1191 3.945,1192 3.79,1193 3.821,1194 3.761,1195 3.606,1196 6.439,1197 3.623,1198 3.367,1199 3.437,1200 3.577,1201 3.126,1202 5.304,1203 3.154,1204 3.171,1205 3.232,1206 3.145,1207 2.923,1208 4.883,1209 2.928,1210 3.01,1211 3.099,1212 2.97,1213 2.734,1214 4.768,1215 2.76,1216 2.769,1217 2.825,1218 2.616,1219 2.389,1220 4.478,1221 2.427,1222 2.461,1223 2.534,1224 2.54,1225 2.176,1226 3.933,1227 2.173,1228 2.329,1229 2.41,1230 2.227,1231 2.035,1232 3.743,1233 2.063,1234 0.222,1235 0.165,1236 0.325,1237 0.198,1238 0.155,1239 4.652,1240 0.219,1241 3.458,1242 0.05,1243 6.821,1244 0.538,1245 4.168,1246 0.143,1247 3.245,1248 4.608,1249 1.041,1250 11.293,1251 2.997,1252 1.794,1253 1.752,1254 1.857,1255 1.996,1256 1.21,1257 1.955,1258 1.612,1259 1.567,1260 1.779,1261 1.818,1262 0.99,1263 1.815,1264 1.504,1265 1.456,1266 1.663,1267 1.781,1268 0.764,1269 1.746,1270 1.143,1271 1.075,1272 1.374,1273 1.437,1274 0.437,1275 1.423,1276 0.814,1277 0.776,1278 1.113,1279 1.216,1280 0.152,1281 1.2,1282 0.789,1283 0.661,1284 1.067,1285 1.164,1287 1.13,1288 0.643,1289 0.6,1290 0.703,1291 0.899,1293 0.873,1294 0.138,1295 0.055,1296 0.637,1297 0.735,1299 0.701,1300 3.761,1302 5.118,1303 3.045,1304 6.661,1305 5.416,1306 8.292,1307 7.526,1308 9.972,1311 5.771,1313 5.708,1314 18.814,1315 0.084,1318 5.534,1320 -1.818,1326 20.186,1327 60.977,1328 121.174,1329 143.58,1330 147.58,1331 147.58,1332 147.58,1333 33.465,1334 6.692,1335 119.31,1336 119.31,1337 16,1338 12.419,1339 3.459,1340 2.585,1341 27.694,1342 50,1343 52,1344 0.285,1345 127.097,1346 208.7,1347 301.877,1348 5833,1349 3.2,1350 13.569,1351 0.714,1352 0.554,1353 14.069,1354 10.526,1355 9.097,1356 0.433,1357 0.289,1358 5.576,1359 8.244,1360 5.519,1361 4.456,1362 9.385,1363 6.076,1364 8.5,1365 0.274,1366 0.15,1367 8.908,1368 4.655,1369 7.327,1370 0.17,1371 0.076,1372 7.563,1373 3.284,1374 6.448,1375 0.109,1376 0.04,1377 6.77,1378 2.343,1379 4.59,1380 0.067,1381 0.02,1382 4.852,1383 1.394,1384 0.424,1385 61.952,1386 0.271,1387 18.47,1388 0.849,1389 104,1390 374.131,1391 138.505,1392 378.051,1393 499.46,1394 352,1395 126,1396 339.57,1397 154.555,1398 345.956,1399 519.51,1400 325,1401 4.097}
{0 CHEMBL191750,1 1.845,2 7.267,3 2.702,4 7.299,5 62.33,6 9.973,7 0.625,8 3.298,9 3.36,10 3.237,11 3.043,12 4.508,13 2.944,14 3.751,15 3.844,16 3.71,17 3.412,18 5.083,19 3.256,20 3.88,21 4.042,22 3.455,23 3.354,24 4.993,25 3.17,26 3.712,27 3.865,28 3.355,29 3.157,30 4.855,31 2.966,32 3.392,33 3.539,34 2.945,35 2.927,36 4.407,37 2.709,38 3.232,39 3.327,40 2.923,41 2.675,42 4.648,43 2.588,44 3.306,45 3.491,46 2.459,47 2.552,48 4.475,49 2.469,50 3.212,51 3.453,52 2.222,53 2.281,54 4.447,55 2.203,56 0.059,57 0.312,58 3.15,59 2.363,60 9.162,61 2.343,62 0.18,63 0.552,64 12.142,65 4.869,66 30.793,67 4.381,68 0.23,69 0.606,70 14.174,71 5.699,72 36.546,73 5.166,74 0.239,75 0.549,76 14.714,77 5.159,78 28.637,79 3.955,80 0.104,81 0.412,82 12.7,83 4.201,84 10.619,85 3.508,86 0.15,87 0.298,88 6.496,89 2.644,90 13.39,91 2.388,92 0.08,93 0.299,94 5.826,95 2.58,96 11.588,97 2.938,98 0.085,99 0.263,100 6.119,101 2.472,102 10.275,103 3.05,104 9,105 21,106 0.372,107 0.724,108 0.808,109 0.875,110 0.892,111 0.892,112 2.793,113 1.174,114 -2.96,115 -2.97,116 -2.86,120 41.7,122 1,126 1,143 4,147 1,153 1,159 1,163 1,168 1,172 1,174 3,175 1,177 4,180 1,182 1,185 5,189 2,197 3,198 1,201 3,206 1,209 4,215 1,222 2,223 1,226 1,227 1,230 1,232 1,235 2,247 2,248 2,252 2,257 2,261 2,264 2,269 2,274 222,275 10.069,276 10.069,277 10.069,278 10.069,279 10.069,280 8.725,281 4.783,282 6.2,283 10.549,284 7.938,285 7.938,286 7.938,287 7.938,288 7.938,289 5.904,290 3.173,291 2.995,292 8.773,293 2.74,294 1,295 0.583,296 0.25,297 0.167,298 0.167,299 3.444,306 1,307 1,308 227,309 2.739,312 29.238,313 38.349,316 57.015,320 1.218,321 14.505,324 1,325 1,326 1,327 0.4,328 0.5,329 1,330 1,331 0.84,332 32.5,333 109,334 4.458,335 4.414,336 6.243,337 3.883,338 2.982,339 4.401,340 2.95,341 9.472,342 2.707,343 3.572,344 3.595,345 5.136,346 3.234,347 2.268,348 2.854,349 2.341,350 6.255,351 2.191,352 3.468,353 2.959,354 4.646,355 2.956,356 2.092,357 2.696,359 5.142,360 1.745,361 3.032,362 2.535,363 4.414,364 2.462,365 1.532,366 2.298,368 4.312,369 1.409,370 2.865,371 1.532,372 3.612,373 2.368,374 1.407,375 2.027,377 2.993,378 1.33,379 2.184,380 1.448,381 3.243,382 1.892,383 1,384 1.124,386 2.144,387 0.863,388 1.847,389 0.901,390 3,391 1.24,392 0.347,393 0.521,395 0.86,396 0.304,397 1.054,398 0.406,399 2.391,400 0.707,401 -0.165,402 -0.185,404 -0.391,405 -0.14,406 0.672,407 0.347,408 2,409 0.164,410 -0.791,411 -1.051,413 -1.91,414 -0.716,415 0.5,416 0.192,417 1.699,418 -0.005,419 -1,420 -1.317,422 -2,423 -0.905,424 0.42,425 -0.858,426 1.586,427 -0.064,428 -1,429 -1.5,431 -2.625,432 -0.956,433 0.048,434 -1,435 1.261,436 -0.314,437 -1.193,438 -1.553,440 -3.22,441 -1.054,442 -0.379,443 -1.104,444 1,445 -0.722,446 -1.642,447 -1.924,449 -4.15,450 -1.428,451 -0.382,452 -1.647,453 1,454 -1,455 -1.879,456 -2.571,457 -0.757,458 -5.147,459 -1.639,460 -0.5,461 -1.879,462 0.452,463 -1.028,464 -1.958,465 -2.819,466 -1.584,467 -5.548,468 -1.712,469 7.733,470 0.516,471 0.332,472 0.022,473 19,474 1.267,475 10,476 0.667,477 9,478 0.6,479 10.462,480 0.697,481 15.667,482 0.653,483 9.52,484 0.635,485 3.423,486 0.228,487 3.831,488 0.255,489 0.086,491 0.259,496 0.78,497 0.876,498 0.714,499 0.709,500 0.72,501 0.738,502 0.403,503 1.19,504 0.887,505 1.038,506 0.378,507 0.985,508 1.109,509 0.907,510 1.123,511 0.919,512 1.096,513 0.923,514 1.203,515 1.019,516 1.432,517 1.238,518 1.128,519 1.056,520 0.794,521 1.206,522 1.855,523 1.587,524 0.542,525 1.253,526 0.466,527 1.245,528 1.034,529 1.415,530 0.753,531 1.313,532 0.864,533 1.051,534 0.64,535 0.903,536 0.928,537 1.135,538 0.809,539 0.882,540 0.333,541 0.659,542 0.817,543 0.891,544 3,546 1.111,547 0.917,548 0.382,549 0.271,550 0.111,551 0.185,552 0.068,553 0.049,554 1711,555 6546,556 2.032,557 37.5,559 6,562 1,563 2,567 1.523,568 1.915,569 2.902,570 -0.134,574 1,575 44.29,576 1.845,577 3.585,578 4.002,579 4.335,580 4.418,581 4.418,582 2.289,583 2.873,584 3.875,585 3.021,586 317.216,587 6.461,588 2655.35,590 1,592 1,593 110.039,594 1.338,595 3.843,596 0.188,598 0.053,599 0.054,600 0.029,601 0.027,602 0.011,603 0.023,604 0.011,605 0.012,606 0.409,607 0.67,608 1,609 1.69,610 59.733,611 -0.107,612 0.056,613 0.028,614 0.127,615 -0.092,616 0.078,617 0.269,618 -0.192,619 0.135,620 -0.018,621 0.243,622 -0.073,623 -0.203,624 0.081,625 -0.066,626 0.118,627 -0.185,628 0.07,629 -0.211,630 0.087,631 -0.177,632 -0.067,633 -0.2,634 -0.063,635 -0.153,636 -0.081,637 -0.459,638 -0.304,639 -0.015,640 -0.207,641 0.503,642 -0.298,643 -0.147,644 -0.512,645 0.218,646 -0.448,647 0.013,648 -0.24,649 -0.033,650 -0.218,651 -0.023,652 -0.197,653 0.143,654 -0.121,655 0.283,656 0.018,657 0.187,658 0.144,659 2.427,660 3.331,661 0.6,662 9.68,663 1.018,664 1.101,665 1.732,666 3.001,667 0.761,668 2.833,669 3.091,670 3.258,671 3.497,672 3.611,673 3.584,674 3.584,675 3.638,676 3.296,677 2.944,678 4.547,679 0.706,680 239.34,681 2.833,682 4.317,683 5.118,684 5.964,685 6.792,686 7.648,687 8.491,688 9.352,689 10.203,690 11.067,691 4.2,701 1,708 2,709 4,710 1,713 1,714 1,716 10,738 24,739 11,740 1,741 16,743 25,744 10,745 7,746 2,747 4,752 2,753 3,766 1,768 8,769 2,772 1,778 1,782 1,786 1,789 9,790 3,791 1,792 5,793 2,797 1,803 0.5,804 2,822 1,823 1,826 1,840 1,853 1,855 1,856 1,857 2,862 15,868 1,869 2,873 1,879 1,886 8.3,888 1,889 1,893 7.833,894 4.233,895 3.361,896 1.338,898 2.156,899 1.373,900 0.942,901 3.464,902 7.94,903 3.135,904 3.72,905 4.261,906 4.885,907 5.334,908 5.559,909 5.876,910 6.211,911 5.662,912 5.55,913 0.8,914 17,915 5.511,916 -0.001,917 2.285,918 7.989,919 10.4,921 8.317,924 2.489,925 37.333,926 0.003,929 94.169,930 108.636,931 16.786,933 67.828,935 63.497,936 45.139,937 161.997,938 16.786,940 3.434,941 37.905,942 85.524,943 2.144,944 0.746,945 157.666,947 94.169,948 61.925,949 67.828,950 63.497,952 94.169,953 67.828,956 5.578,957 39.561,958 16.786,959 63.497,960 94.169,961 84.614,962 108.636,965 94.169,966 70.731,967 37.905,969 84.614,970 94.169,971 84.614,972 108.636,973 0.564,974 0.295,975 0.158,976 0.084,977 10,978 4,979 0.16,980 4,981 1,982 1.222,983 2.841,984 91.319,985 0.222,986 9,987 58.603,989 2,993 10.742,994 4.838,995 2.844,996 2.135,997 84.614,998 7.918,999 4.398,1002 1.608,1003 0.942,1005 42.683,1006 287.419,1007 22,1013 10.331,1017 -0.761,1020 24.444,1021 26.418,1022 0.402,1023 0.782,1024 0.873,1025 0.945,1026 0.964,1027 0.964,1028 4.311,1029 -0.165,1030 5.069,1031 0.86,1032 3.761,1033 4.401,1034 3.295,1035 5.79,1036 3.578,1037 5.504,1038 -0.791,1039 6.564,1040 -0.391,1041 3.219,1042 4.205,1043 2.243,1044 6.503,1045 2.945,1046 6.793,1047 -1,1048 8.158,1049 -1.91,1050 5.252,1051 6.631,1052 5.242,1053 9.57,1054 4.895,1055 8.121,1056 -1,1057 9.812,1058 -2,1059 5.525,1060 7.315,1061 4.112,1062 11.177,1063 5.049,1064 9.484,1065 -1.193,1066 11.507,1067 -2.625,1068 7.034,1069 9.211,1070 7.313,1071 13.73,1072 6.503,1073 10.872,1074 -1.642,1075 13.232,1076 -3.22,1077 7.721,1078 10.327,1079 5.889,1080 15.719,1081 7.056,1082 12.281,1083 -1.879,1084 14.979,1085 -4.15,1086 8.994,1087 11.993,1088 9.427,1089 18.084,1090 8.277,1091 2.982,1092 -1.958,1093 16.744,1094 -5.147,1095 9.891,1096 13.314,1097 7.625,1098 20.229,1099 9.037,1100 2.268,1101 9.472,1102 18.523,1103 -5.548,1104 11.058,1105 14.877,1106 11.56,1107 22.522,1108 10.143,1109 2.092,1110 6.255,1111 20.312,1112 4.401,1113 12.059,1114 16.289,1115 9.342,1116 24.73,1117 11.013,1118 1.532,1119 5.142,1120 22.11,1121 2.854,1122 13.18,1123 17.807,1124 13.706,1125 26.996,1126 12.062,1127 1.407,1128 4.312,1129 23.915,1130 2.696,1131 14.23,1132 19.258,1133 11.051,1134 29.228,1135 12.989,1136 1,1137 2.993,1138 25.726,1139 2.298,1140 15.333,1141 20.756,1142 15.858,1143 31.483,1144 14.011,1145 0.347,1146 2.144,1147 27.54,1148 2.027,1149 16.405,1150 22.224,1151 12.755,1152 33.725,1153 14.969,1154 1769,1155 3540,1156 10.633,1157 18.256,1158 23.6,1159 26.157,1160 23.839,1161 23.299,1162 23.258,1163 31.841,1164 10.582,1165 62.356,1166 21.1,1167 5.315,1168 6.414,1169 5.926,1170 5.059,1171 4.982,1172 7.401,1173 5.9,1174 15.66,1175 4.707,1176 6.559,1177 1.475,1178 1.635,1179 1.49,1180 1.456,1181 1.454,1182 1.99,1183 0.661,1184 3.897,1185 1.319,1186 4.04,1187 4.052,1188 4.373,1189 4.052,1190 7.474,1191 3.993,1192 3.631,1193 3.655,1194 3.737,1195 3.527,1196 6.351,1197 3.477,1198 3.311,1199 3.328,1200 3.45,1201 3.268,1202 4.959,1203 3.213,1204 2.973,1205 2.993,1206 3.203,1207 2.809,1208 4.291,1209 2.771,1210 2.884,1211 2.939,1212 2.838,1213 2.762,1214 3.806,1215 2.741,1216 2.387,1217 2.44,1218 2.409,1219 2.265,1220 3.707,1221 2.235,1222 2.149,1223 2.261,1224 2.216,1225 1.856,1226 3.106,1227 1.769,1228 1.946,1229 1.994,1230 1.856,1231 1.657,1232 2.837,1233 1.567,1234 0.279,1235 0.276,1236 0.39,1237 0.243,1238 0.186,1239 4.458,1240 0.275,1241 4.414,1242 0.184,1243 6.243,1244 0.592,1245 3.883,1246 0.169,1247 2.982,1248 4.401,1249 2.95,1250 9.472,1251 2.707,1252 1.898,1253 1.88,1254 1.98,1255 1.963,1256 1.104,1257 1.979,1258 1.588,1259 1.563,1260 1.763,1261 1.772,1262 1.082,1263 1.783,1264 1.238,1265 1.247,1266 1.213,1267 1.332,1268 0.437,1269 1.358,1270 0.917,1271 0.886,1272 1.068,1273 1.162,1274 0.195,1275 1.144,1276 0.847,1277 0.82,1278 1.027,1279 1.003,1280 0.18,1281 1.05,1282 0.644,1283 0.596,1284 0.725,1285 0.818,1287 0.886,1288 0.173,1289 0.054,1290 0.654,1291 0.616,1293 0.669,1296 0.296,1297 0.321,1299 0.262,1300 3.497,1302 4.762,1303 2.398,1304 6.205,1305 4.727,1306 7.734,1307 6.823,1308 9.314,1314 8.501,1315 0.76,1319 1.501,1326 16.932,1327 44.29,1328 86.039,1329 96.039,1330 104.039,1331 106.039,1332 106.039,1333 20.385,1334 5.784,1335 50.19,1336 103.73,1337 11,1338 11.618,1339 3.585,1340 2.807,1341 23.829,1342 40,1343 37,1344 0.301,1345 114.319,1346 187.44,1347 270.698,1348 1932,1350 10.673,1351 0.712,1352 0.632,1353 11.38,1354 9.476,1355 7.254,1356 0.453,1357 0.391,1358 4.571,1359 6.193,1360 4.313,1361 3.548,1362 8.116,1363 6.259,1364 6.467,1365 0.308,1366 0.253,1367 7.817,1368 5.312,1369 4.733,1370 0.189,1371 0.16,1372 6.172,1373 3.997,1374 3.908,1375 0.122,1376 0.1,1377 5.601,1378 3.205,1379 2.923,1380 0.081,1381 0.063,1382 4.42,1383 2.259,1384 0.467,1385 53.711,1386 0.307,1387 15.499,1388 0.824,1389 74,1390 255.251,1391 135.08,1392 286.064,1393 377.17,1394 266,1395 83,1396 233.284,1397 126.517,1398 263.151,1399 383.73,1400 247,1401 5.166}
{0 CHEMBL1964909,1 1.959,2 9.958,3 1.892,4 3.579,5 88.693,6 11.291,7 0.48,8 3.702,9 3.785,10 3.59,11 3.198,12 5.111,13 3.233,14 4.117,15 4.222,16 3.97,17 3.533,18 5.629,19 3.56,20 4.288,21 4.386,22 4.09,23 3.619,24 5.802,25 3.64,26 4.387,27 4.535,28 4.01,29 3.493,30 6,31 3.533,32 4.291,33 4.45,34 3.954,35 3.344,36 5.847,37 3.387,38 4.114,39 4.284,40 3.597,41 3.225,42 5.618,43 3.217,44 4.037,45 4.236,46 3.437,47 3.126,48 5.436,49 3.122,50 3.788,51 3.895,52 3.477,53 3.122,54 5.27,55 3.126,56 0.288,57 0.519,58 1.766,59 2.773,60 22.015,61 2.466,62 0.54,63 0.73,64 5.797,65 4.414,66 65.705,67 3.862,68 0.623,69 0.835,70 14.394,71 5.502,72 51.929,73 4.849,74 0.92,75 0.83,76 11.213,77 5.535,78 125.601,79 5.005,80 0.905,81 0.739,82 19.081,83 5.013,84 90.968,85 4.372,86 0.647,87 0.638,88 14.138,89 4.344,90 72.338,91 4.383,92 0.69,93 0.559,94 12.764,95 3.982,96 90.187,97 3.924,98 0.438,99 0.482,100 8.011,101 3.342,102 44.734,103 2.771,104 41,105 34,106 0.355,107 0.758,108 0.859,109 0.894,110 0.894,111 0.894,112 3.227,113 0.865,114 -2.51,115 -2.54,116 -2.48,118 1,120 40,125 1,143 3,144 2,145 4,146 2,156 1,159 1,167 2,170 1,174 3,176 1,177 5,180 1,182 1,185 2,188 1,189 10,192 2,194 4,197 1,200 2,201 5,204 3,206 3,213 5,214 4,219 1,222 1,226 2,227 3,230 3,235 3,240 1,243 2,244 1,247 2,251 2,252 4,260 1,263 2,264 4,267 1,269 1,271 2,274 790,275 15.715,276 15.715,277 15.715,278 15.715,279 15.715,280 13.584,281 14.66,282 9.218,283 16.234,284 12.224,285 12.224,286 12.224,287 12.224,288 12.224,289 8.968,290 11.949,291 4.247,292 12.998,293 3.17,294 0.943,295 0.386,296 0.193,297 0.193,298 0.193,299 3.886,306 1,307 1,308 487,309 3.606,313 180.741,320 1.469,321 39.54,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 54.75,333 239,334 4.503,335 3.817,336 6.582,337 4.057,338 3.096,339 4.252,340 2.612,341 10.299,342 2.971,343 4.204,344 3.556,345 6.052,346 3.823,347 2.835,348 3.789,349 0.98,350 8.698,351 2.799,352 3.851,353 3.115,354 5.555,355 3.324,356 2.357,357 3.358,358 0.86,359 7.036,360 2.283,361 3.642,362 2.87,363 5.265,364 3.188,365 2.257,366 2.978,368 6.593,369 2.103,370 3.56,371 2.454,372 5,373 3.104,374 2.189,375 2.883,377 5.917,378 1.898,379 2.928,380 2.126,381 4.153,382 2.434,383 1.498,384 2.026,386 3.719,387 1.342,388 2.906,389 1.905,390 4.114,391 2.3,392 1.353,393 2.004,395 3.288,396 1.274,397 2.693,398 1.629,399 3.486,400 2.104,401 1.183,402 1.71,404 2.588,405 1.06,406 2.498,407 1.192,408 3.376,409 1.86,410 0.868,411 1.338,413 2.041,414 0.851,415 1.783,416 1.177,417 3.044,418 1.467,419 0.578,420 0.675,422 1.087,423 0.507,424 1.33,425 1,426 2.693,427 1.039,428 0.091,429 0.106,431 0.176,432 0.084,433 1.036,434 0.657,435 2.481,436 0.574,437 -0.365,438 -0.465,440 -0.796,441 -0.207,442 1,443 0.402,444 2.154,445 0.362,446 -0.416,447 -0.524,449 -0.919,450 -0.353,451 0.943,452 0.18,453 2,454 0.28,455 -0.677,456 -0.906,458 -1.819,459 -0.641,460 0.719,461 -0.368,462 1.847,463 0.191,464 -0.791,465 -1.107,467 -2,468 -0.763,469 11.6,470 0.483,471 0.668,472 0.028,473 34.25,474 1.427,475 19,476 0.792,477 15.25,478 0.635,479 16.074,480 0.67,481 25.6,482 0.731,483 25.868,484 1.078,485 7.031,486 0.293,487 4.387,488 0.183,489 0.273,491 0.336,496 0.671,497 1.072,498 0.485,499 0.752,500 0.655,501 0.767,502 0.867,503 1.041,504 0.619,505 0.72,506 0.585,507 0.729,508 0.851,509 1.421,510 1.094,511 1.305,512 0.782,513 1.214,514 1.099,515 1.12,516 0.569,517 0.829,518 1.067,519 0.948,520 1.12,521 0.946,522 0.859,523 0.949,524 1.125,525 0.967,526 0.93,527 0.993,528 0.763,529 0.992,530 1.109,531 1.154,532 1.201,533 0.536,534 0.477,535 0.416,536 1.393,537 0.656,538 0.995,539 0.99,540 0.986,541 1.015,542 1.119,543 1.088,544 5.5,545 0.14,546 2.889,547 2,548 1.467,549 0.819,550 0.325,551 0.196,552 0.292,553 0.183,554 6101,555 28011,556 1.925,557 31.4,559 6,561 3,562 2,567 1.666,568 1.756,569 3.294,570 0.461,572 1,575 68.559,576 1.959,577 4.186,578 4.743,579 4.936,580 4.936,581 4.936,582 2.622,583 4.054,584 4.561,585 3.495,586 964.526,587 7.854,588 11867.9,590 1,592 1,593 179.525,594 1.555,595 4.483,596 0.22,597 0.008,598 0.085,599 0.056,600 0.046,601 0.03,602 0.015,603 0.01,604 0.015,605 0.008,606 0.493,607 0.33,608 1,609 0.99,610 115.659,611 0.034,612 0.101,613 -0.005,614 0.057,615 -0.08,616 0.021,617 -0.053,618 0.042,619 0.017,620 0.151,621 0.092,622 0.139,623 -0.006,624 -0.37,625 -0.124,626 -0.336,627 -0.016,628 -0.327,629 -0.046,630 -0.151,631 0.026,632 -0.001,633 0.012,634 -0.031,635 -0.034,636 0.012,637 -0.003,638 -0.048,639 -0.07,640 -0.02,641 0.004,642 -0.019,643 -0.047,644 -0.12,645 -0.078,646 -0.174,647 -0.172,648 0.387,649 0.056,650 0.409,651 -0.237,652 0.37,653 -0.078,654 0.037,655 -0.139,656 -0.074,657 -0.178,658 -0.192,659 2.749,660 4.881,661 0.5,662 19.674,663 1.052,664 1.13,665 1.284,666 1.649,667 0.706,668 3.258,669 3.555,670 3.761,671 3.932,672 4.078,673 3.97,674 3.932,675 3.784,676 3.807,677 3.85,678 6.332,679 0.708,680 395.19,681 3.258,682 4.779,683 5.602,684 6.46,685 7.302,686 8.161,687 9.009,688 9.868,689 10.72,690 11.578,691 11.4,698 1,700 1,701 1,702 1,709 5,710 1,714 6,716 12,731 1,734 1,735 1,737 1,738 35,739 16,740 1,741 25,742 1,743 36,744 14,745 11,746 4,747 2,748 2,752 2,753 2,755 1,768 13,769 1,772 4,775 1,778 3,780 1,781 1,782 1,786 1,789 11,790 8,791 2,792 10,793 1,797 4,803 1,804 5,816 1,823 2,855 2,858 1,859 1,862 24,868 1,871 1,872 1,885 1,886 14.3,888 1,889 1,891 1,892 2,893 13.667,894 6.61,895 5.444,896 1.702,898 2.845,899 1.436,900 0.912,901 5.979,902 9.362,903 3.584,904 4.174,905 4.687,906 5.197,907 5.693,908 5.806,909 6.028,910 5.983,911 6.202,912 6.486,913 1,914 36,915 8.803,917 3.72,918 8.392,919 15.546,921 11.76,924 2.892,925 69.417,929 105.94,930 88.585,931 102.961,933 129.575,936 134.539,937 235.515,938 57.007,939 16.553,940 17.888,941 28.429,942 133.679,943 63.184,945 70.627,946 96.701,947 105.94,948 145.592,949 129.575,951 45.954,952 105.94,953 78.828,954 50.747,956 52.646,957 61.443,958 31.503,959 45.954,960 105.94,961 186.582,962 134.539,965 105.94,966 22.131,967 72.124,968 63.842,969 163.024,970 105.94,971 186.582,972 134.539,973 0.578,974 0.339,975 0.174,976 0.093,977 14,978 8,979 0.139,980 5,982 1,983 3.531,984 179.111,986 12,987 108.039,993 18.008,994 7.968,995 4.586,997 180.912,998 6.908,999 3.856,1003 0.008,1005 60.572,1006 427.061,1007 35,1010 -0.749,1013 33.692,1015 1.193,1016 3.726,1017 -0.5,1020 36.807,1021 39.543,1022 0.382,1023 0.816,1024 0.925,1025 0.962,1026 0.962,1027 0.962,1028 4.796,1029 1.183,1030 5.595,1031 3.288,1032 4.234,1033 4.86,1034 2.747,1035 6.378,1036 4.128,1037 6.022,1038 0.868,1039 7.151,1040 2.588,1041 3.892,1042 4.771,1043 2.361,1044 7.261,1045 3.73,1046 7.336,1047 0.578,1048 8.806,1049 2.041,1050 5.808,1051 7.064,1052 4.2,1053 10.317,1054 5.635,1055 8.685,1056 0.091,1057 10.517,1058 1.087,1059 6.236,1060 7.739,1061 4.506,1062 11.985,1063 6.023,1064 10.06,1065 -0.365,1066 12.263,1067 0.176,1068 7.66,1069 9.543,1070 5.955,1071 14.578,1072 7.433,1073 11.455,1074 -0.416,1075 14.033,1076 -0.796,1077 8.441,1078 10.575,1079 6.556,1080 16.591,1081 8.179,1082 12.865,1083 -0.677,1084 15.821,1085 -0.919,1086 9.67,1087 12.176,1088 7.795,1089 19.015,1090 9.388,1091 3.096,1092 -0.791,1093 17.623,1094 -1.819,1095 10.621,1096 13.392,1097 8.548,1098 21.189,1099 10.305,1100 2.835,1101 10.299,1102 19.437,1103 -2,1104 11.772,1105 14.901,1106 9.67,1107 23.549,1108 11.431,1109 2.357,1110 8.698,1111 21.259,1112 4.252,1113 12.806,1114 16.215,1115 10.509,1116 25.8,1117 12.428,1118 2.257,1119 7.036,1120 23.088,1121 3.789,1122 13.928,1123 17.682,1124 11.563,1125 28.135,1126 13.52,1127 2.189,1128 6.593,1129 24.925,1130 3.358,1131 15.002,1132 19.05,1133 12.452,1134 30.424,1135 14.556,1136 1.498,1137 5.917,1138 26.766,1139 2.978,1140 16.115,1141 20.498,1142 13.468,1143 32.751,1144 15.634,1145 1.353,1146 3.719,1147 28.613,1148 2.883,1149 17.209,1150 21.897,1151 14.386,1152 35.058,1153 16.689,1154 6217,1155 13451,1156 15.72,1157 24.693,1158 37.138,1159 39.326,1160 38.854,1161 36.805,1162 36.612,1163 50.238,1164 8.904,1165 102.884,1166 34.347,1167 5.283,1168 5.817,1169 6.138,1170 5.094,1171 5.096,1172 7.252,1173 4.612,1174 17.369,1175 4.971,1176 15.269,1177 1.486,1178 1.573,1179 1.554,1180 1.472,1181 1.464,1182 2.01,1183 0.356,1184 4.115,1185 1.374,1186 4.011,1187 4.028,1188 6.88,1189 3.879,1190 7.815,1191 3.895,1192 3.889,1193 3.916,1194 3.986,1195 3.805,1196 7.429,1197 3.8,1198 3.556,1199 3.593,1200 3.777,1201 3.213,1202 6.999,1203 3.266,1204 3.417,1205 3.459,1206 3.524,1207 3.072,1208 6.467,1209 3.139,1210 3.227,1211 3.276,1212 3.331,1213 3.017,1214 4.882,1215 3.023,1216 3.032,1217 3.069,1218 3.093,1219 2.765,1220 4.815,1221 2.778,1222 2.79,1223 2.843,1224 2.882,1225 2.639,1226 4.619,1227 2.626,1228 2.719,1229 2.78,1230 2.61,1231 2.456,1232 4.201,1233 2.477,1234 0.18,1235 0.153,1236 0.263,1237 0.162,1238 0.124,1239 4.503,1240 0.17,1241 3.817,1242 0.104,1243 6.582,1244 0.412,1245 4.057,1246 0.119,1247 3.096,1248 4.252,1249 2.612,1250 10.299,1251 2.971,1252 1.914,1253 1.899,1254 1.976,1255 2.088,1256 1.089,1257 2.04,1258 1.833,1259 1.809,1260 1.882,1261 1.958,1262 0.968,1263 1.945,1264 1.333,1265 1.286,1266 1.578,1267 1.726,1268 0.577,1269 1.63,1270 1.243,1271 1.197,1272 1.421,1273 1.603,1274 0.328,1275 1.575,1276 1.12,1277 1.085,1278 1.224,1279 1.439,1280 0.214,1281 1.411,1282 0.932,1283 0.881,1284 1.099,1285 1.207,1286 0.133,1287 1.171,1288 0.728,1289 0.669,1290 0.946,1291 0.96,1293 0.959,1294 0.632,1295 0.559,1296 0.911,1297 0.922,1299 0.933,1300 3.932,1302 5.231,1304 6.723,1306 8.305,1308 9.936,1309 3.197,1310 1.266,1314 9.68,1317 2.272,1318 4.869,1326 24.792,1327 68.559,1328 146.505,1329 166.015,1330 172.77,1331 172.77,1332 172.77,1333 66.98,1334 6.518,1335 129.63,1336 129.63,1337 12,1338 12.131,1339 4.087,1340 3.459,1341 48.629,1342 93,1343 76,1344 0.258,1345 163.002,1346 287.71,1347 389.485,1348 5227,1349 2.9,1350 17.69,1351 0.737,1352 0.577,1353 18.69,1354 13.85,1355 11.418,1356 0.457,1357 0.288,1358 6.299,1359 10.112,1360 6.127,1361 5.107,1362 11.995,1363 7.207,1364 10.213,1365 0.3,1366 0.157,1367 11.029,1368 5.355,1369 8.095,1370 0.193,1371 0.078,1372 8.619,1373 3.274,1374 6.304,1375 0.126,1376 0.042,1377 6.811,1378 2.114,1379 4.758,1380 0.082,1381 0.022,1382 5.226,1383 1.288,1384 0.411,1385 82.502,1386 0.252,1387 23.668,1388 0.69,1389 118,1390 515.014,1391 201.74,1392 520.824,1393 664.04,1394 476,1395 135,1396 442.522,1397 182.8,1398 453.249,1399 645.88,1400 419,1401 6.01}
{0 CHEMBL1965654,1 1.76,2 11.24,3 4.577,4 20.949,5 100.403,6 8.518,7 0.423,8 3.892,9 4.011,10 3.56,11 3.411,12 5.06,13 3.384,14 4.4,15 4.584,16 3.981,17 3.772,18 5.558,19 3.734,20 4.614,21 4.789,22 4.137,23 3.932,24 5.814,25 3.865,26 4.794,27 5.054,28 3.89,29 3.903,30 5.826,31 3.799,32 4.608,33 4.806,34 3.699,35 3.751,36 5.732,37 3.648,38 4.645,39 4.916,40 3.645,41 3.587,42 5.708,43 3.473,44 4.417,45 4.712,46 3.625,47 3.316,48 5.624,49 3.263,50 4.032,51 4.197,52 3.307,53 3.211,54 5.245,55 3.191,56 0.13,57 0.638,58 7.881,59 3.91,60 8.823,61 5.05,62 0.357,63 0.96,64 17.471,65 6.404,66 33.743,67 8.764,68 0.512,69 1.15,70 26.892,71 7.258,72 39.901,73 9.36,74 0.584,75 1.221,76 33.489,77 9.243,78 53.556,79 12.965,80 0.494,81 1,82 23.677,83 8.015,84 47.113,85 10.427,86 0.656,87 0.918,88 31.336,89 8.52,90 66.094,91 11.496,92 0.667,93 0.745,94 25.812,95 5.929,96 64.5,97 8.545,98 0.498,99 0.549,100 13.454,101 3.546,102 50.155,103 3.893,104 66,105 38,106 0.307,107 0.639,108 0.734,109 0.783,110 0.791,111 0.791,112 3.266,113 0.967,114 -4.8,115 -4.71,116 -4.42,120 37.8,121 5,131 1,143 3,144 1,145 3,147 1,153 1,156 1,160 1,167 2,174 1,176 1,177 8,180 2,182 2,185 8,188 1,189 6,192 1,194 1,197 5,200 2,201 6,206 1,209 8,213 2,214 7,219 2,222 3,227 6,239 2,240 8,243 2,245 2,247 2,252 1,260 1,264 7,269 3,271 5,274 873,275 15.61,276 15.61,277 15.61,278 15.61,279 15.61,280 13.755,281 22.024,282 8.879,283 16.124,284 12.764,285 12.764,286 12.764,287 12.764,288 12.764,289 9.993,290 30.464,291 4.191,292 13.687,293 3.732,294 1.825,295 1.279,296 0.995,297 0.951,298 0.951,299 3.917,303 2,306 1,307 1,308 573,309 4.062,312 82.623,313 97.298,320 1.67,321 24.153,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 54.667,333 281,334 4.665,335 4.111,336 7.294,337 4.394,338 3.433,339 4.313,340 2.795,341 12.441,342 3.297,343 4.224,344 3.569,345 6.356,346 3.815,347 2.846,348 3.875,349 1.403,350 9.45,351 2.782,352 4.044,353 3.337,354 5.957,355 3.754,356 2.829,357 3.243,358 0.143,359 8.374,360 2.58,361 3.741,362 3.259,363 5.383,364 3.356,365 2.441,366 3,368 6.938,369 2.165,370 3.347,371 2.918,372 5.033,373 2.904,374 1.967,375 2.575,377 5.34,378 1.759,379 3.052,380 2.391,381 4.772,382 2.712,383 1.749,384 2.207,386 5.197,387 1.681,388 3.002,389 2.125,390 4.533,391 2.498,392 1.531,393 2.062,395 4.339,396 1.473,397 2.82,398 2.039,399 4.041,400 2.306,401 1.414,402 1.948,404 3.523,405 1.198,406 2.462,407 1.549,408 3.537,409 1.972,410 0.996,411 1.359,413 2.382,414 0.966,415 1.535,416 0.928,417 3.052,418 1.208,419 0.303,420 0.351,422 0.714,423 0.243,424 1.307,425 0.854,426 2.782,427 1.035,428 0.131,429 0.146,431 0.296,432 0.107,433 0.96,434 0.51,435 2.459,436 0.505,437 -0.329,438 -0.392,440 -0.833,441 -0.248,442 0.847,443 0.194,444 2.373,445 0.391,446 -0.587,447 -0.784,449 -1.334,450 -0.501,451 0.617,452 -0.009,453 2.237,454 0.161,455 -0.788,456 -0.918,458 -2.008,459 -0.634,460 0.435,461 -0.271,462 2,463 0.138,464 -0.793,465 -1,467 -2.085,468 -0.75,469 12.195,470 0.488,471 0.995,472 0.04,473 29.25,474 1.17,475 13.5,476 0.54,477 15.75,478 0.63,479 24.604,480 0.984,481 28.005,482 0.622,483 21.027,484 0.841,485 5.774,486 0.231,487 5.817,488 0.233,489 0.349,490 0.041,491 0.32,496 0.602,497 1.345,498 0.575,499 1,500 0.611,501 0.962,502 0.51,503 1.278,504 0.5,505 0.781,506 0.401,507 0.727,508 1.131,509 1.228,510 0.956,511 1,512 0.837,513 1.083,514 0.855,515 0.855,516 0.777,517 0.858,518 0.706,519 0.884,520 1.085,521 1.254,522 0.892,523 1.28,524 1.23,525 1.314,526 0.979,527 0.991,528 0.616,529 0.869,530 0.921,531 0.837,532 0.642,533 0.577,534 0.406,535 0.565,536 0.757,537 0.496,538 2.474,539 0.585,540 0.963,541 0.453,542 2.594,543 0.733,544 7.5,545 0.21,546 3.778,547 2.757,548 1.673,549 0.587,550 0.509,551 0.281,552 0.304,553 0.165,554 7041,555 23445,556 1.875,557 44.4,559 3,561 1,562 1,563 6,564 9,567 1.674,568 1.676,569 3.411,570 -0.238,575 79.208,576 1.76,577 3.667,578 4.213,579 4.496,580 4.541,581 4.541,582 2.843,583 4.214,584 4.621,585 3.637,586 1091.24,587 7.955,588 13913.6,590 1,593 247.133,594 1.764,595 4.507,596 0.288,597 0.012,598 0.099,599 0.075,600 0.052,601 0.023,602 0.023,603 0.013,604 0.017,605 0.008,606 0.61,607 0.17,608 1,609 0.898,610 123.122,611 0.095,612 -0.072,613 0.019,614 -0.05,615 -0.058,616 -0.033,617 0.266,618 -0.155,619 0.225,620 0.161,621 0.272,622 0.227,623 -0.151,624 -0.056,625 -0.072,626 -0.081,627 -0.037,628 -0.19,629 -0.021,630 0.139,631 0.034,632 0.044,633 0.047,634 0.074,635 -0.041,636 -0.25,637 -0.171,638 -0.355,639 -0.129,640 -0.376,641 0.104,642 -0.165,643 0.201,644 0.055,645 0.108,646 0.15,647 0.433,648 0.302,649 0.423,650 0.296,651 0.426,652 0.451,653 -0.67,654 0.447,655 -0.23,656 0.401,657 -0.632,658 0.077,659 2.395,660 4.789,661 0.44,662 21.203,663 1.015,664 1.134,665 3.565,666 12.711,667 0.678,668 3.296,669 3.664,670 3.829,671 4.007,672 4.078,673 4.007,674 3.85,675 3.714,676 3.761,677 3.784,678 6.814,679 0.642,680 383.31,681 3.296,682 4.86,683 5.687,684 6.575,685 7.424,686 8.311,687 9.169,688 10.057,689 10.921,690 11.809,691 8.9,698 1,699 1,700 1,701 1,709 3,710 1,714 6,715 1,716 11,720 1,733 1,737 2,738 45,739 13,740 1,741 26,743 46,744 17,745 9,746 3,747 3,748 1,752 2,753 2,754 2,759 5,768 11,769 6,770 1,772 2,778 1,780 1,781 1,782 1,786 1,789 20,790 5,791 1,792 8,793 2,797 4,803 1,804 2,814 1,822 1,823 1,855 2,859 5,860 2,862 25,871 1,872 1,876 1,885 2,886 4.4,889 1,891 1,893 14.917,894 9.802,895 5.361,896 2.535,898 2.455,899 1.373,900 0.911,901 6.141,902 9.039,903 3.541,904 4.155,905 4.641,906 5.162,907 5.483,908 5.581,909 5.593,910 5.612,911 5.784,912 6.023,913 1,914 37,915 9.157,917 3.734,918 7.906,919 17.074,921 13.235,924 2.406,925 60.139,928 1,929 223.651,930 106.822,931 55.85,932 78.297,933 36.364,936 106.822,937 338.312,938 55.85,939 44.126,940 18.011,941 28.429,942 62.626,943 48.095,944 9.519,945 211.88,946 78.297,947 223.651,948 162.672,949 36.364,950 78.297,952 117.711,953 142.304,956 86.07,957 50.892,958 104.008,960 223.651,961 92.214,962 185.119,965 223.651,966 25.22,967 83.379,968 18.011,969 150.724,970 223.651,971 92.214,972 185.119,973 0.603,974 0.335,975 0.162,976 0.083,977 17,978 10,979 0.109,980 5,982 1,983 3.582,984 190.337,986 11,987 111.342,993 19.762,994 7.769,995 4.969,997 90.437,998 4.716,999 4.507,1003 3.774,1004 1.916,1005 18.011,1006 500.984,1007 33.5,1013 11.789,1015 1.48,1016 3.745,1017 -0.729,1020 45.662,1021 51.037,1022 0.321,1023 0.668,1024 0.767,1025 0.819,1026 0.827,1027 0.827,1028 4.81,1029 1.414,1030 5.753,1031 4.339,1032 4.344,1033 4.84,1034 2.961,1035 6.613,1036 4.216,1037 6.071,1038 0.996,1039 7.367,1040 3.523,1041 4.29,1042 4.879,1043 1.784,1044 7.83,1045 4.098,1046 7.415,1047 0.303,1048 9.091,1049 2.382,1050 6.052,1051 7.047,1052 4.741,1053 10.84,1054 5.828,1055 8.792,1056 0.131,1057 10.879,1058 0.714,1059 6.735,1060 7.819,1061 3.967,1062 12.844,1063 6.461,1064 10.196,1065 -0.329,1066 12.709,1067 0.296,1068 8.096,1069 9.557,1070 6.692,1071 15.492,1072 7.794,1073 11.621,1074 -0.587,1075 14.568,1076 -0.833,1077 9.08,1078 10.671,1079 6.232,1080 17.802,1081 8.738,1082 13.062,1083 -0.788,1084 16.45,1085 -1.334,1086 10.319,1087 12.236,1088 8.685,1089 20.351,1090 9.947,1091 3.433,1092 -0.793,1093 18.35,1094 -2.008,1095 11.43,1096 13.517,1097 8.465,1098 22.782,1099 11.021,1100 2.846,1101 12.441,1102 20.265,1103 -2.085,1104 12.636,1105 15.01,1106 10.691,1107 25.304,1108 12.195,1109 2.829,1110 9.45,1111 22.191,1112 4.313,1113 13.802,1114 16.373,1115 10.658,1116 27.785,1117 13.325,1118 2.441,1119 8.374,1120 24.128,1121 3.875,1122 15.006,1123 17.836,1124 12.702,1125 30.302,1126 14.495,1127 1.967,1128 6.938,1129 26.072,1130 3.243,1131 16.199,1132 19.24,1133 12.822,1134 32.804,1135 15.651,1136 1.749,1137 5.34,1138 28.024,1139 3,1140 17.408,1141 20.693,1142 14.718,1143 35.321,1144 16.824,1145 1.531,1146 5.197,1147 29.981,1148 2.575,1149 18.615,1150 22.118,1151 14.963,1152 37.833,1153 17.994,1154 7176,1155 13420,1156 15.72,1157 30.5,1158 40.053,1159 43.143,1160 41.451,1161 39.433,1162 39.279,1163 50.156,1164 8.683,1165 117.985,1166 36.504,1167 5.501,1168 6.111,1169 6.824,1170 5.456,1171 5.433,1172 7.313,1173 5.408,1174 20.294,1175 5.297,1176 18.148,1177 1.541,1178 1.659,1179 1.594,1180 1.517,1181 1.511,1182 1.929,1183 0.334,1184 4.538,1185 1.404,1186 4.029,1187 4.083,1188 4.116,1189 3.878,1190 7.435,1191 3.893,1192 3.912,1193 3.932,1194 3.983,1195 3.844,1196 5.05,1197 3.843,1198 3.605,1199 3.665,1200 3.541,1201 3.475,1202 4.983,1203 3.462,1204 3.443,1205 3.459,1206 3.436,1207 3.116,1208 4.754,1209 3.183,1210 3.185,1211 3.285,1212 3.397,1213 3.002,1214 4.491,1215 2.975,1216 3.093,1217 3.166,1218 3.196,1219 2.864,1220 4.321,1221 2.878,1222 2.878,1223 3.009,1224 2.945,1225 2.79,1226 4.211,1227 2.765,1228 2.874,1229 3.009,1230 2.912,1231 2.625,1232 3.879,1233 2.638,1234 0.179,1235 0.158,1236 0.281,1237 0.169,1238 0.132,1239 4.665,1240 0.166,1241 4.111,1242 0.107,1243 7.294,1244 0.478,1245 4.394,1246 0.127,1247 3.433,1248 4.313,1249 2.795,1250 12.441,1251 3.297,1252 1.874,1253 1.856,1254 1.989,1255 1.98,1256 1.201,1257 1.982,1258 1.788,1259 1.732,1260 1.93,1261 1.962,1262 1.055,1263 1.963,1264 1.651,1265 1.606,1266 1.821,1267 1.801,1268 0.957,1269 1.804,1270 1.331,1271 1.245,1272 1.648,1273 1.579,1274 0.713,1275 1.602,1276 1.221,1277 1.2,1278 1.417,1279 1.563,1280 0.469,1281 1.506,1282 1.009,1283 0.93,1284 1.417,1285 1.284,1286 0.469,1287 1.308,1288 0.934,1289 0.824,1290 1.374,1291 1.239,1292 0.337,1293 1.308,1294 0.934,1295 0.804,1296 1.224,1297 1.239,1298 0.218,1299 1.283,1300 3.97,1302 5.323,1303 2.398,1304 6.841,1305 4.844,1306 8.435,1307 7.018,1308 10.071,1310 10.02,1311 11.718,1317 2.516,1318 4.831,1322 -0.146,1326 28.911,1327 79.208,1328 165.02,1329 189.585,1330 202.339,1331 204.339,1332 204.339,1333 55.799,1334 6.585,1335 68.51,1336 68.51,1337 11,1338 12.344,1339 3.807,1340 3.087,1341 52.106,1342 105,1343 90,1344 0.245,1345 190.397,1346 329.66,1347 456.329,1348 5817,1349 4.4,1350 18.776,1351 0.751,1352 0.649,1353 19.776,1354 16.235,1355 11.591,1356 0.446,1357 0.322,1358 7.578,1359 10.527,1360 7.089,1361 6.01,1362 12.169,1363 8.38,1364 11.614,1365 0.306,1366 0.193,1367 12.355,1368 7.349,1369 8.456,1370 0.188,1371 0.093,1372 9.37,1373 4.205,1374 6.558,1375 0.121,1376 0.049,1377 6.96,1378 2.634,1379 4.603,1380 0.079,1381 0.026,1382 4.972,1383 1.479,1384 0.395,1385 79.216,1386 0.252,1387 24.677,1388 0.642,1389 128,1390 423.146,1391 173.704,1392 466.93,1393 611,1394 430,1395 147,1396 414.157,1397 188.4,1398 434.407,1399 623.31,1400 403,1401 6.796}
{0 CHEMBL1967184,1 1.889,2 8.955,3 1.838,4 3.378,5 76.032,6 8.703,7 0.261,8 3.708,9 3.825,10 3.351,11 3.171,12 5.016,13 3.204,14 4.228,15 4.375,16 3.809,17 3.533,18 6.021,19 3.555,20 4.434,21 4.62,22 3.804,23 3.574,24 6.038,25 3.577,26 4.438,27 4.639,28 3.733,29 3.437,30 5.913,31 3.487,32 4.484,33 4.708,34 3.661,35 3.316,36 6.033,37 3.384,38 4.285,39 4.536,40 3.321,41 3.165,42 5.747,43 3.186,44 3.916,45 4.063,46 3.286,47 3.162,48 5.447,49 3.176,50 4.026,51 4.178,52 3.423,53 3.244,54 5.828,55 3.232,56 0.257,57 0.743,58 5.667,59 3.3,60 49.94,61 3.417,62 0.873,63 1.419,64 11.906,65 5.485,66 156.613,67 6.215,68 0.903,69 1.042,70 16.524,71 5.852,72 152.589,73 7.744,74 0.847,75 1.092,76 17.413,77 5.079,78 136.465,79 6.13,80 1.197,81 1.167,82 21.266,83 4.952,84 185.815,85 5.477,86 1.124,87 0.832,88 19.984,89 4.598,90 173.822,91 5.063,92 0.553,93 0.744,94 9.519,95 4.062,96 108.016,97 4.089,98 0.662,99 0.785,100 9.914,101 4.497,102 136.019,103 5.194,104 39,105 33,106 0.348,107 0.733,108 0.816,109 0.877,110 0.887,111 0.887,112 3.146,113 0.85,114 -3.57,115 -3.54,116 -3.38,120 38.9,122 3,133 1,137 1,139 1,143 4,144 1,145 1,157 1,159 1,164 1,165 1,166 1,170 1,174 7,177 3,180 1,182 4,185 7,187 2,188 1,189 4,194 6,197 2,199 2,201 3,203 1,204 2,205 1,206 7,208 1,211 1,214 5,216 1,217 1,218 1,219 1,222 2,227 3,235 4,243 1,245 3,247 6,249 2,257 3,260 6,262 2,268 1,269 2,270 1,271 2,274 602,275 14.007,276 14.007,277 14.007,278 14.007,279 14.007,280 12.567,281 16.095,282 8.077,283 14.349,284 11.284,285 11.284,286 11.284,287 11.284,288 11.284,289 9.123,290 16.515,291 3.766,292 11.92,293 3.281,294 1.195,295 0.743,296 0.41,297 0.354,298 0.354,299 3.795,305 1,306 1,307 1,308 401,309 4,312 68.852,313 78.399,320 1.24,321 48.048,323 1,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 52,333 197,334 4.583,335 4.49,336 7.22,337 4.253,338 3.376,339 3.96,340 3.852,341 12.044,342 3.036,343 4.312,344 3.583,345 6.386,346 3.952,347 2.955,348 3.91,349 0.98,350 9.624,351 2.939,352 3.953,353 3.256,354 6.156,355 3.667,356 2.743,357 3.1,358 0.782,359 8.951,360 2.441,361 3.417,362 2.583,363 4.92,364 3.03,365 2.035,366 2.645,367 0.379,368 5.397,369 2.013,370 3.044,371 2.268,372 4.694,373 2.528,374 1.597,375 2.077,377 4.629,378 1.468,379 2.861,380 1.592,381 3.873,382 2.403,383 1.414,384 2.012,386 3.12,387 1.397,388 2.573,389 1.467,390 3.688,391 2.246,392 1.272,393 1.558,395 2.874,396 1.229,397 2.349,398 1.306,399 3.569,400 2.052,401 1.051,402 1.288,404 2.517,405 1.048,406 1.551,407 1.09,408 3.377,409 1.462,410 0.541,411 0.542,413 1.359,414 0.489,415 1.522,416 0.832,417 2.921,418 1.372,419 0.358,420 0.4,422 0.81,423 0.362,424 1.092,425 0.51,426 2.419,427 0.717,428 -0.267,429 -0.337,431 -0.576,432 -0.261,433 0.671,434 0.51,435 2.206,436 0.179,437 -0.791,438 -1,440 -1.94,441 -0.7,442 0.614,443 0.108,444 2,445 0.16,446 -0.855,447 -1,449 -2.015,450 -0.7,451 0.065,452 -0.131,453 2,454 -0.3,455 -1,456 -1.024,458 -3,459 -0.758,461 -0.611,462 2,463 -0.3,464 -1,465 -1.239,467 -3,468 -0.868,469 9.724,470 0.442,471 0.782,472 0.036,473 24.5,474 1.114,475 11,476 0.5,477 13.5,478 0.614,479 17.637,480 0.802,481 25.676,482 0.713,483 20.577,484 0.935,485 5.184,486 0.236,487 5.12,488 0.233,489 0.198,490 0.051,491 0.309,493 3,496 0.665,497 0.893,498 0.676,499 0.97,500 0.693,501 0.869,502 0.41,503 0.841,504 0.625,505 1.131,506 0.415,507 1.048,508 0.46,509 0.929,510 0.718,511 1.166,512 0.452,513 1.114,514 0.996,515 1.088,516 1.002,517 1.129,518 0.952,519 1.074,520 1.381,521 0.998,522 1.241,523 0.832,524 1.394,525 0.909,526 1.494,527 0.719,528 1.29,529 0.491,530 1.567,531 0.668,532 1.046,533 0.935,534 1.054,535 1.007,536 1.145,537 1.04,538 0.502,539 1.024,540 0.876,541 1.333,542 0.51,543 1.335,544 5.5,545 0.074,546 3.556,547 1.875,548 1.227,549 0.702,550 0.387,551 0.316,552 0.254,553 0.191,554 4524,555 18924,556 1.908,557 38.9,558 4,559 4,562 4,563 2,567 1.644,568 1.725,569 3.147,570 1.959,571 1,572 1,574 1,575 68.002,576 1.889,577 3.975,578 4.427,579 4.76,580 4.816,581 4.816,582 2.495,583 4.061,584 4.437,585 3.314,586 765.469,587 7.615,588 8574.63,589 1,590 1,592 1,593 186.117,594 1.753,595 4.338,596 0.239,597 0.007,598 0.108,599 0.059,600 0.042,601 0.028,602 0.02,603 0.016,604 0.012,605 0.013,606 0.544,607 0.33,608 1,609 1.119,610 101.477,611 -0.08,612 0.071,613 -0.032,614 0.135,615 -0.122,616 0.101,617 0.384,618 0.229,619 0.161,620 -0.033,621 0.371,622 -0.056,623 0.229,624 -0.159,625 0.139,626 -0.191,627 0.221,628 -0.115,629 -0.138,630 -0.245,631 -0.081,632 -0.237,633 -0.113,634 -0.159,635 -0.225,636 -0.016,637 -0.18,638 0.019,639 -0.242,640 -0.035,641 -0.26,642 0.349,643 -0.157,644 0.423,645 -0.315,646 0.279,647 -0.138,648 0.03,649 -0.213,650 0.07,651 -0.155,652 -0.055,653 0.287,654 -0.09,655 -0.056,656 -0.264,657 0.325,658 -0.33,659 6.075,660 4.897,661 0.5,662 15.149,663 1.047,664 1.162,665 2.337,666 5.461,667 0.641,668 3.178,669 3.526,670 3.714,671 3.85,672 3.871,673 3.784,674 3.784,675 3.784,676 3.761,677 3.784,678 5.59,679 0.648,680 313.31,681 3.178,682 4.727,683 5.557,684 6.435,685 7.283,686 8.159,687 9.014,688 9.889,689 10.747,690 11.621,691 8.3,695 1,698 1,700 1,709 4,714 2,716 6,728 1,738 36,739 9,740 1,741 23,743 37,744 14,745 6,746 2,747 4,748 4,752 2,753 2,755 1,759 1,763 3,765 1,766 3,768 10,769 4,772 3,778 1,781 1,782 4,785 1,786 1,787 3,789 14,790 8,791 4,792 8,797 3,803 1,804 2,822 1,823 1,845 1,846 1,853 1,855 2,861 3,862 22,863 1,868 1,869 3,871 1,876 1,885 3,886 5.6,888 1,889 1,893 12.75,894 6.162,895 4.778,896 2.007,898 1.998,899 1.315,900 0.938,901 4.767,902 8.34,903 3.401,904 3.961,905 4.428,906 4.827,907 5.142,908 5.127,909 5.307,910 5.49,911 5.654,912 5.948,913 0.833,914 32,915 8.835,917 4.493,918 8.693,919 14.377,921 11.534,924 3.193,925 70.25,929 117.711,930 69.857,931 67.448,933 67.828,934 44.88,936 69.857,937 185.539,938 112.329,940 25.492,941 70.802,942 75.29,943 70.671,945 117.711,946 7.76,947 117.711,948 137.306,949 112.709,952 117.711,953 112.709,956 49.914,957 87.391,960 162.591,961 135.277,962 69.857,965 125.471,966 24.193,967 37.905,968 17.888,969 162.269,970 117.711,971 180.157,972 69.857,973 0.597,974 0.341,975 0.162,976 0.075,977 15,978 8,979 0.054,980 2,982 1,983 3.288,984 162.615,986 11,987 93.353,993 16.372,994 6.406,995 3.814,997 180.157,998 6.258,1003 0.413,1005 93.469,1006 367.725,1007 29,1013 11.897,1016 3.7,1017 -2.535,1020 37.683,1021 41.839,1022 0.365,1023 0.769,1024 0.856,1025 0.921,1026 0.931,1027 0.931,1028 4.668,1029 1.051,1030 5.609,1031 2.874,1032 4.205,1033 4.644,1034 3.225,1035 6.472,1036 4.103,1037 5.909,1038 0.541,1039 7.226,1040 2.517,1041 4.111,1042 4.605,1043 3.903,1044 7.738,1045 3.828,1046 7.251,1047 0.358,1048 8.961,1049 1.359,1050 5.916,1051 6.794,1052 5.466,1053 10.737,1054 5.683,1055 8.63,1056 -0.267,1057 10.764,1058 0.81,1059 6.608,1060 7.504,1061 6.723,1062 12.755,1063 6.196,1064 10.04,1065 -0.791,1066 12.61,1067 -0.576,1068 7.98,1069 9.243,1070 8.101,1071 15.377,1072 7.577,1073 11.471,1074 -0.855,1075 14.483,1076 -1.94,1077 8.971,1078 10.28,1079 9.438,1080 17.659,1081 8.421,1082 12.916,1083 -1,1084 16.375,1085 -2.015,1086 10.209,1087 11.834,1088 10.791,1089 20.173,1090 9.624,1091 3.376,1092 -1,1093 18.281,1094 -3,1095 11.315,1096 13.03,1097 12.138,1098 22.562,1099 10.609,1100 2.955,1101 12.044,1102 20.198,1103 -3,1104 12.513,1105 14.495,1106 13.487,1107 25.045,1108 11.744,1109 2.743,1110 9.624,1111 22.123,1112 3.96,1113 13.668,1114 15.772,1115 14.836,1116 27.482,1117 12.79,1118 2.035,1119 8.951,1120 24.054,1121 3.91,1122 14.858,1123 17.192,1124 16.184,1125 29.96,1126 13.9,1127 1.597,1128 5.397,1129 25.991,1130 3.1,1131 16.035,1132 18.511,1133 17.533,1134 32.421,1135 14.973,1136 1.414,1137 4.629,1138 27.934,1139 2.645,1140 17.227,1141 19.909,1142 18.882,1143 34.9,1144 16.073,1145 1.272,1146 3.12,1147 29.88,1148 2.077,1149 18.417,1150 21.251,1151 20.23,1152 37.373,1153 17.159,1154 4653,1155 9675,1156 14.216,1157 23.068,1158 35.113,1159 34.944,1160 36.221,1161 34.971,1162 34.683,1163 42.983,1164 11.986,1165 102.654,1166 32.842,1167 5.413,1168 6.49,1169 6.905,1170 5.271,1171 5.376,1172 6.96,1173 5.362,1174 19.767,1175 5.036,1176 14.002,1177 1.527,1178 1.519,1179 1.575,1180 1.52,1181 1.508,1182 1.869,1183 0.521,1184 4.463,1185 1.428,1186 3.964,1187 3.999,1188 3.914,1189 3.867,1190 8.514,1191 3.871,1192 3.887,1193 3.919,1194 3.833,1195 3.792,1196 7.999,1197 3.794,1198 3.471,1199 3.514,1200 3.46,1201 3.176,1202 7.999,1203 3.227,1204 3.351,1205 3.407,1206 3.276,1207 3.095,1208 7.429,1209 3.132,1210 3.045,1211 3.155,1212 2.889,1213 2.815,1214 6.46,1215 2.82,1216 2.916,1217 2.983,1218 2.798,1219 2.718,1220 5.097,1221 2.725,1222 2.823,1223 2.889,1224 2.732,1225 2.501,1226 4.687,1227 2.531,1228 2.667,1229 2.751,1230 2.484,1231 2.385,1232 4.499,1233 2.416,1234 0.199,1235 0.195,1236 0.314,1237 0.185,1238 0.147,1239 4.583,1240 0.172,1241 4.49,1242 0.167,1243 7.22,1244 0.524,1245 4.253,1246 0.132,1247 3.376,1248 3.96,1249 3.852,1250 12.044,1251 3.036,1252 1.905,1253 1.88,1254 2.007,1255 2.011,1256 1.189,1257 2.009,1258 1.667,1259 1.645,1260 1.849,1261 1.844,1262 1.075,1263 1.812,1264 1.574,1265 1.509,1266 1.732,1267 1.761,1268 0.96,1269 1.781,1270 1.204,1271 1.168,1272 1.332,1273 1.531,1274 0.294,1275 1.464,1276 1.007,1277 0.957,1278 1.276,1279 1.328,1280 0.188,1281 1.321,1282 0.978,1283 0.901,1284 1.141,1285 1.309,1286 0.185,1287 1.263,1288 0.688,1289 0.593,1290 1.024,1291 0.971,1293 0.999,1294 0.368,1295 0.252,1296 0.771,1297 0.9,1299 0.808,1300 3.85,1302 5.187,1303 2.398,1304 6.703,1305 4.595,1306 8.297,1307 6.581,1308 9.93,1312 37.573,1313 5.63,1314 9.223,1315 0.741,1317 2.174,1322 -4.825,1326 23.331,1327 68.002,1328 143.098,1329 159.362,1330 171.362,1331 173.362,1332 173.362,1333 67.84,1334 6.342,1335 87.71,1336 87.71,1337 11,1338 12.165,1339 3.322,1340 2.807,1341 42.279,1342 75,1343 60,1344 0.283,1345 144.682,1346 268.09,1347 344.784,1348 4147,1349 8.3,1350 16.328,1351 0.742,1352 0.52,1353 13.828,1354 11.445,1355 10.304,1356 0.448,1357 0.283,1358 6.37,1359 9.716,1360 6.318,1361 5.19,1362 9.092,1363 6.515,1364 9.99,1365 0.303,1366 0.144,1367 8.079,1368 4.765,1369 7.628,1370 0.191,1371 0.081,1372 6.476,1373 3.241,1374 5.606,1375 0.122,1376 0.047,1377 5.183,1378 2.16,1379 3.807,1380 0.081,1381 0.024,1382 3.304,1383 1.121,1384 0.442,1385 66.423,1386 0.265,1387 21.664,1388 0.782,1389 112,1390 559.509,1391 137.803,1392 457.399,1393 577.71,1394 418,1395 129,1396 391.963,1397 149.675,1398 375.402,1399 564.14,1400 351,1401 4.437}
{0 CHEMBL1967395,1 1.746,2 11.207,3 3.505,4 12.286,5 107.519,6 8.819,7 0.355,8 3.967,9 4.042,10 3.706,11 3.507,12 5.209,13 3.507,14 4.468,15 4.59,16 4.085,17 3.83,18 5.768,19 3.821,20 4.596,21 4.735,22 4.15,23 3.916,24 5.858,25 3.891,26 4.631,27 4.757,28 4.147,29 3.901,30 6.011,31 3.882,32 4.605,33 4.728,34 4.163,35 3.943,36 6.068,37 3.902,38 4.61,39 4.752,40 4.063,41 3.997,42 5.872,43 3.931,44 4.705,45 4.89,46 3.866,47 3.892,48 5.922,49 3.835,50 4.548,51 4.709,52 3.905,53 3.726,54 5.855,55 3.708,56 0.151,57 0.641,58 7.202,59 4.509,60 10.174,61 4.573,62 0.648,63 1.024,64 17.313,65 6.955,66 42.535,67 7.335,68 0.592,69 1.15,70 22.159,71 8.538,72 44.404,73 8.549,74 0.712,75 1.182,76 23.144,77 8.519,78 83.889,79 7.705,80 0.93,81 1.169,82 25.547,83 8.982,84 95.534,85 8.777,86 0.454,87 1.197,88 20.959,89 9.341,90 35.877,91 10.168,92 0.708,93 1.202,94 25.408,95 9.37,96 77.66,97 10.357,98 0.785,99 0.981,100 21.136,101 7.845,102 61.408,103 8.677,104 35,105 42,106 0.296,107 0.648,108 0.816,109 0.865,110 0.865,111 0.865,112 3.408,113 0.92,114 -3.69,115 -3.66,116 -3.48,120 42.6,121 1,125 1,126 2,136 1,139 1,143 6,144 1,145 1,152 1,153 1,159 3,160 1,174 5,176 4,177 11,185 5,188 1,189 11,197 2,200 1,201 11,209 3,213 8,214 6,222 6,226 2,227 5,235 7,240 8,247 4,251 4,252 12,260 5,264 5,271 3,274 1572,275 19.602,276 19.602,277 19.602,278 19.602,279 19.602,280 17.553,281 21.867,282 11.677,283 20.256,284 15.186,285 15.186,286 15.186,287 15.186,288 15.186,289 11.86,290 23.508,291 5.391,292 16.034,293 3.809,294 1.734,295 0.745,296 0.458,297 0.458,298 0.458,299 4.087,306 1,307 1,308 678,309 3.808,312 84.495,313 205.583,320 1.717,321 42.584,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 65,333 325,334 4.384,335 4.698,336 6.533,337 4.026,338 3.107,339 3.84,340 3.66,341 10.308,342 2.867,343 4.186,344 3.729,345 6.029,346 3.808,347 2.817,348 3.684,349 1.674,350 8.588,351 2.781,352 3.982,353 3.657,354 5.955,355 3.608,356 2.646,357 3.475,358 1.674,359 8.313,360 2.54,361 3.871,362 3.499,363 5.427,364 3.441,365 2.469,366 3.257,367 1.216,368 7.176,369 2.383,370 3.688,371 3.017,372 5.297,373 3.317,374 2.336,375 2.951,376 0.636,377 6.741,378 2.276,379 3.313,380 2.735,381 4.924,382 2.814,383 1.872,384 2.472,385 0.484,386 5.43,387 1.728,388 2.871,389 2.544,390 4.249,391 2.463,392 1.526,393 1.917,395 3.818,396 1.416,397 2.839,398 1.944,399 4.185,400 2.369,401 1.461,402 1.828,404 3.721,405 1.304,406 2.621,407 1.787,408 3.605,409 2.16,410 1.193,411 1.615,413 2.677,414 1.132,415 2.5,416 1.777,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.118,425 1.461,426 3.245,427 1.837,428 0.86,429 0.985,431 1.517,432 0.825,433 2.083,434 1.218,435 3,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.948,443 1,444 2.955,445 1.479,446 0.528,447 0.668,449 1.266,450 0.494,451 1.471,452 0.835,453 2.777,454 1.095,455 0.172,456 0.204,458 0.247,459 0.153,460 1.352,461 0.618,462 2.547,463 0.893,464 -0.052,465 -0.067,467 -0.127,468 -0.048,469 13.633,470 0.47,471 0.66,472 0.023,473 37,474 1.276,475 18,476 0.621,477 19,478 0.655,479 23.333,480 0.805,481 31.367,482 0.667,483 30.64,484 1.057,485 7.696,486 0.265,487 6.315,488 0.218,489 0.147,491 0.323,496 0.755,497 1.318,498 0.67,499 1.065,500 0.57,501 0.936,502 0.866,503 1,504 0.778,505 0.867,506 0.589,507 0.795,508 1.034,509 1.145,510 0.96,511 1.056,512 0.909,513 0.908,514 1.377,515 1.197,516 1.229,517 1.101,518 1.625,519 0.982,520 0.803,521 0.923,522 1.316,523 1.118,524 0.944,525 0.92,526 0.664,527 1.209,528 1.084,529 1.234,530 0.694,531 1.15,532 1.094,533 0.931,534 1.041,535 0.954,536 1.215,537 1.028,538 0.923,539 0.899,540 0.763,541 0.927,542 0.974,543 0.942,544 6,545 0.219,546 3.333,547 1.722,548 1.782,549 1,550 0.787,551 0.5,552 0.278,553 0.276,554 10006,555 35179,556 2.013,557 38.3,559 14,560 1,564 3,567 1.724,568 1.871,569 3.407,570 -0.683,572 1,575 82.059,576 1.746,577 3.821,578 4.809,579 5.097,580 5.097,581 5.097,582 2.879,583 4.418,584 4.823,585 3.614,586 1467.31,587 8.432,588 20076,590 1,592 1,593 261.066,594 1.453,595 4.78,596 0.194,597 0.01,598 0.079,599 0.04,600 0.042,601 0.023,602 0.019,603 0.014,604 0.008,605 0.01,606 0.439,607 0.33,608 1,609 1.304,610 147.241,611 -0.055,612 -0.233,613 0.062,614 -0.09,615 -0.052,616 -0.043,617 0.087,618 0.066,619 0.151,620 0.12,621 0.081,622 0.121,623 -0.105,624 -0.084,625 0.08,626 -0.008,627 -0.053,628 0.041,629 -0.267,630 -0.11,631 -0.125,632 -0.039,633 -0.251,634 -0.08,635 0.209,636 0.196,637 -0.098,638 0.047,639 0.15,640 0.02,641 0.019,642 -0.152,643 -0.106,644 -0.173,645 0.037,646 -0.162,647 -0.181,648 0.037,649 -0.13,650 -0.029,651 -0.165,652 -0.04,653 0.125,654 0.034,655 0.12,656 -0.018,657 0.005,658 0.025,659 2.286,660 5.612,661 0.586,662 30.863,663 1.028,664 1.117,665 2.464,666 6.072,667 0.691,668 3.466,669 3.761,670 4.007,671 4.22,672 4.407,673 4.522,674 4.644,675 4.736,676 4.779,677 4.844,678 6.709,679 0.675,680 414.47,681 3.466,682 4.99,683 5.826,684 6.688,685 7.545,686 8.415,687 9.28,688 10.154,689 11.024,690 11.901,691 4.3,698 1,700 1,709 7,712 1,714 3,716 11,726 1,738 47,739 16,740 1,741 31,743 49,744 20,745 10,746 2,747 4,748 6,752 3,753 3,759 1,768 16,769 4,772 5,778 3,780 1,781 1,782 5,786 1,788 1,789 18,790 8,792 9,793 1,797 2,803 1,804 6,822 1,823 2,839 1,841 1,845 2,855 3,856 1,857 1,859 2,862 29,869 2,872 2,873 1,875 1,886 12.8,889 3,891 3,893 15.5,894 9.233,895 6.611,896 2.717,898 2.709,899 1.374,900 0.943,901 7.042,902 9.943,903 3.75,904 4.273,905 4.784,906 5.247,907 5.623,908 5.923,909 6.314,910 6.644,911 6.972,912 7.345,913 1,914 43,915 10.734,917 4.52,918 8.075,919 19.661,921 15.268,924 2.575,925 74.667,928 1,929 211.88,930 169.421,931 19.91,933 106.942,935 32.22,936 137.202,937 318.822,938 19.91,939 19.708,940 9.822,941 78.073,942 96.073,943 54.235,944 17.913,945 232.328,947 211.88,948 157.112,949 106.942,950 32.22,952 176.567,953 142.255,956 35.433,957 110.652,958 11.027,959 32.22,960 211.88,961 126.852,962 169.421,965 211.88,966 71.64,967 100.906,969 123.727,970 211.88,971 126.852,972 169.421,973 0.57,974 0.337,975 0.174,976 0.091,977 18,978 9,979 0.163,980 8,982 1,983 3.981,984 246.674,986 17,987 136.881,989 1,993 21.056,994 9.699,995 5.236,997 126.852,998 11.399,1001 5.322,1003 1.467,1006 508.153,1007 41.5,1013 36.306,1015 1.211,1016 4.486,1017 -1.036,1020 48.313,1021 52.495,1022 0.314,1023 0.688,1024 0.866,1025 0.918,1026 0.918,1027 0.918,1028 4.975,1029 1.461,1030 5.802,1031 3.818,1032 4.443,1033 4.959,1034 3.741,1035 6.586,1036 4.346,1037 6.168,1038 1.193,1039 7.349,1040 3.721,1041 4.007,1042 4.677,1043 2.048,1044 7.434,1045 3.879,1046 7.463,1047 1,1048 8.995,1049 2.677,1050 6.014,1051 7.047,1052 5.895,1053 10.506,1054 5.823,1055 8.792,1056 0.86,1057 10.696,1058 2.275,1059 6.399,1060 7.565,1061 4.992,1062 12.155,1063 6.166,1064 10.149,1065 0.618,1066 12.434,1067 1.517,1068 7.854,1069 9.377,1070 8.36,1071 14.734,1072 7.566,1073 11.525,1074 0.528,1075 14.195,1076 1.372,1077 8.608,1078 10.261,1079 7.867,1080 16.728,1081 8.264,1082 12.916,1083 0.172,1084 15.972,1085 1.266,1086 9.845,1087 11.832,1088 10.896,1089 19.133,1090 9.447,1091 3.107,1092 -0.052,1093 17.763,1094 0.247,1095 10.776,1096 12.903,1097 10.666,1098 21.292,1099 10.311,1100 2.817,1101 10.308,1102 19.564,1103 -0.127,1104 11.925,1105 14.357,1106 13.447,1107 23.633,1108 11.402,1109 2.646,1110 8.588,1111 21.372,1112 3.84,1113 12.943,1114 15.531,1115 13.415,1116 25.873,1117 12.347,1118 2.469,1119 8.313,1120 23.188,1121 3.684,1122 14.059,1123 16.924,1124 16.005,1125 28.195,1126 13.4,1127 2.336,1128 7.176,1129 25.009,1130 3.475,1131 15.121,1132 18.157,1133 16.131,1134 30.475,1135 14.386,1136 1.872,1137 6.741,1138 26.836,1139 3.257,1140 16.228,1141 19.518,1142 18.565,1143 32.793,1144 15.424,1145 1.526,1146 5.43,1147 28.667,1148 2.951,1149 17.314,1150 20.786,1151 18.825,1152 35.095,1153 16.432,1154 9951,1155 18824,1156 20.285,1157 32.477,1158 46.29,1159 49.991,1160 47.321,1161 45.242,1162 45.21,1163 58.645,1164 18.689,1165 126.895,1166 43.034,1167 5.324,1168 6.698,1169 6.303,1170 5.204,1171 5.107,1172 6.84,1173 7.14,1174 17.231,1175 4.867,1176 15.969,1177 1.493,1178 1.613,1179 1.526,1180 1.459,1181 1.458,1182 1.892,1183 0.603,1184 4.093,1185 1.388,1186 3.981,1187 4.003,1188 4.082,1189 3.885,1190 7.438,1191 3.885,1192 3.893,1193 3.908,1194 3.85,1195 3.765,1196 7.431,1197 3.776,1198 3.757,1199 3.758,1200 3.817,1201 3.657,1202 7.424,1203 3.644,1204 3.532,1205 3.58,1206 3.432,1207 3.3,1208 5.074,1209 3.312,1210 3.417,1211 3.444,1212 3.335,1213 3.137,1214 4.824,1215 3.176,1216 3.205,1217 3.238,1218 3.197,1219 2.999,1220 4.52,1221 3.021,1222 3.09,1223 3.158,1224 3.046,1225 2.884,1226 4.471,1227 2.874,1228 2.908,1229 2.925,1230 2.918,1231 2.735,1232 4.34,1233 2.715,1234 0.141,1235 0.152,1236 0.211,1237 0.13,1238 0.1,1239 4.384,1240 0.124,1241 4.698,1242 0.118,1243 6.533,1244 0.333,1245 4.026,1246 0.092,1247 3.107,1248 3.84,1249 3.66,1250 10.308,1251 2.867,1252 1.909,1253 1.888,1254 1.999,1255 2.012,1256 1.088,1257 2.008,1258 1.726,1259 1.714,1260 1.803,1261 1.891,1262 0.995,1263 1.872,1264 1.521,1265 1.495,1266 1.788,1267 1.734,1268 0.934,1269 1.753,1270 1.482,1271 1.42,1272 1.66,1273 1.694,1274 0.754,1275 1.675,1276 1.365,1277 1.34,1278 1.585,1279 1.586,1280 0.591,1281 1.589,1282 1.22,1283 1.181,1284 1.49,1285 1.525,1286 0.555,1287 1.512,1288 1.119,1289 1.087,1290 1.216,1291 1.353,1292 0.238,1293 1.314,1294 0.897,1295 0.86,1296 1.181,1297 1.2,1298 0.218,1299 1.157,1300 4.143,1302 5.442,1303 2.398,1304 6.93,1305 4.443,1306 8.507,1307 6.26,1308 10.134,1310 2.976,1315 0.44,1318 9.678,1319 1.02,1321 1.398,1326 31.733,1327 82.059,1328 179.582,1329 226.046,1330 239.556,1331 239.556,1332 239.556,1333 67.768,1334 7.234,1335 100.1,1336 128.34,1337 17,1338 12.441,1339 4.087,1340 3.524,1341 52.208,1342 110,1343 145,1344 0.221,1345 199.86,1346 362.53,1347 479.419,1348 12531,1350 20.803,1351 0.717,1352 0.572,1353 21.156,1354 16.602,1355 14.012,1356 0.452,1357 0.307,1358 8.575,1359 12.797,1360 8.294,1361 6.893,1362 14.42,1363 9.507,1364 12.187,1365 0.29,1366 0.161,1367 12.829,1368 6.777,1369 10.222,1370 0.189,1371 0.09,1372 11.044,1373 4.835,1374 8.014,1375 0.12,1376 0.051,1377 9.005,1378 3.391,1379 5.987,1380 0.074,1381 0.028,1382 6.9,1383 2.24,1384 0.345,1385 93.762,1386 0.222,1387 27.495,1388 0.615,1389 146,1390 572.564,1391 194.42,1392 548.894,1393 728.57,1394 512,1395 169,1396 500.354,1397 213.828,1398 513.959,1399 752.42,1400 480,1401 4.775}
{0 CHEMBL1969492,1 1.688,2 10.52,3 4.801,4 23.047,5 109.75,6 11.851,7 0.667,8 3.781,9 3.905,10 3.743,11 3.412,12 5.017,13 3.385,14 4.195,15 4.336,16 4.189,17 3.779,18 5.452,19 3.72,20 4.422,21 4.603,22 4.222,23 3.867,24 5.579,25 3.778,26 4.395,27 4.604,28 3.949,29 3.727,30 5.603,31 3.626,32 4.346,33 4.579,34 3.904,35 3.644,36 5.458,37 3.593,38 4.333,39 4.529,40 3.963,41 3.742,42 5.513,43 3.677,44 4.433,45 4.644,46 4.051,47 3.752,48 5.637,49 3.676,50 4.404,51 4.656,52 4.087,53 3.709,54 5.451,55 3.566,56 0.085,57 0.612,58 1.096,59 2.748,60 11.577,61 2.955,62 0.177,63 0.915,64 2.555,65 4.875,66 18.214,67 5.741,68 0.246,69 1.084,70 26.138,71 7.101,72 23.629,73 7.137,74 0.395,75 1.073,76 27.447,77 6.987,78 37.535,79 7.716,80 0.327,81 1.007,82 14.131,83 5.417,84 34.412,85 6.046,86 0.175,87 0.999,88 14.286,89 6.173,90 22.268,91 7.399,92 0.302,93 1.111,94 12.818,95 6.006,96 35.087,97 6.265,98 0.297,99 0.988,100 16.31,101 7.265,102 36.46,103 8.303,104 17,105 37,106 0.298,107 0.597,108 0.706,109 0.805,110 0.832,111 0.841,112 3.267,113 0.983,114 -5.2,115 -5.09,116 -4.77,118 2,120 43.6,143 8,144 1,145 4,148 2,151 1,156 1,164 2,165 2,166 2,174 4,176 1,177 5,179 3,180 4,182 4,185 8,187 1,189 2,194 2,197 8,200 2,201 2,203 2,204 4,205 3,206 1,208 4,209 4,211 1,212 1,214 3,219 1,222 4,227 8,229 1,230 1,232 8,237 6,240 9,245 8,247 2,249 6,257 2,260 4,262 2,264 4,269 6,271 8,273 5,274 1016,275 16.602,276 16.602,277 16.602,278 16.602,279 16.602,280 14.115,281 25.951,282 9.812,283 17.223,284 13.32,285 13.32,286 13.32,287 13.32,288 13.32,289 9.689,290 43.851,291 4.721,292 14.486,293 3.597,294 1.901,295 1.282,296 0.718,297 0.564,298 0.513,299 3.947,306 1,307 1,308 557,309 2.646,313 251.73,320 1.619,321 18.855,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 52.5,333 263,334 4.429,335 3.17,336 6.489,337 4.01,338 3.057,339 4.124,340 0.6,341 10.121,342 2.914,343 4.033,344 2.929,345 5.469,346 3.567,347 2.62,348 3.646,349 0.4,350 7.288,351 2.473,352 3.998,353 2.902,354 5.409,355 3.535,356 2.591,357 3.605,359 7.141,360 2.438,361 3.549,362 2.581,363 5.045,364 3.069,365 2.17,366 2.896,368 5.965,369 1.953,370 3.476,371 2.5,372 5.015,373 3.026,374 2.147,375 2.773,377 5.938,378 1.828,379 3.393,380 2.214,381 4.883,382 2.932,383 2.042,384 2.689,386 5.661,387 1.696,388 3.171,389 1.951,390 4.794,391 2.706,392 1.792,393 2.416,395 5.21,396 1.569,397 2.589,398 1.48,399 3.661,400 2,401 1.037,402 1.5,404 2.551,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.414,418 1.964,419 1,420 1.454,422 2.275,423 0.943,424 1.601,425 0.7,426 3.038,427 1.209,428 0.311,429 0.383,431 0.775,432 0.253,433 1.337,434 0.493,435 2.727,436 0.937,437 0.066,438 0.08,440 0.156,441 0.048,442 1.095,443 0.206,444 2.534,445 0.527,446 -0.319,447 -0.43,449 -0.712,450 -0.202,451 0.978,452 -0.092,453 2.171,454 0.5,455 -0.368,456 -0.469,458 -0.946,459 -0.27,460 0.576,461 -0.327,462 2,463 0.256,464 -0.614,465 -0.7,467 -1.428,468 -0.501,469 13.567,470 0.543,471 0.664,472 0.027,473 37.5,474 1.5,475 21.5,476 0.86,477 16,478 0.64,479 18.904,480 0.756,481 24.233,482 0.621,483 24.201,484 0.968,485 7.011,486 0.28,487 4.997,488 0.2,489 0.256,491 0.295,496 1.066,497 1.098,498 0.474,499 0.578,500 1.309,501 0.648,502 0.563,503 0.993,504 0.591,505 0.742,506 0.461,507 0.835,508 1.346,509 1.266,510 1.059,511 1.059,512 1.048,513 1.047,514 0.853,515 0.842,516 0.88,517 1.022,518 0.829,519 1.125,520 1.232,521 0.909,522 0.319,523 0.564,524 1.369,525 0.723,526 0.787,527 1.247,528 0.45,529 0.794,530 0.726,531 0.893,532 1.398,533 1.225,534 0.566,535 0.835,536 1.515,537 1.017,538 1.164,539 0.866,540 0.621,541 0.659,542 1.351,543 0.842,544 6,545 0.124,546 2.667,547 1.375,548 1.369,549 0.861,550 0.505,551 0.422,552 0.418,553 0.087,554 7049,555 25609,556 2.038,557 35.9,559 8,561 1,562 5,567 1.683,568 1.899,569 3.342,570 2.647,575 65.831,576 1.688,577 3.384,578 4.003,579 4.567,580 4.721,581 4.773,582 2.855,583 4.214,584 4.613,585 3.49,586 1046.94,587 7.993,588 12852.1,593 206.131,594 1.44,595 4.569,596 0.222,597 0.01,598 0.072,599 0.038,600 0.046,601 0.029,602 0.015,603 0.014,604 0.017,605 0.004,606 0.466,608 0.88,609 0.609,610 120.883,611 -0.241,612 0.023,613 -0.009,614 0.088,615 -0.396,616 0.084,617 0.262,618 0.073,619 0.014,620 0.012,621 0.274,622 -0.029,623 -0.31,624 -0.229,625 -0.123,626 -0.143,627 -0.186,628 -0.158,629 0.224,630 0.199,631 -0.112,632 -0.16,633 0.186,634 -0.223,635 -0.192,636 0.148,637 0.055,638 0.146,639 -0.25,640 0.156,641 0.04,642 -0.252,643 0.017,644 -0.043,645 0.214,646 0.006,647 -0.32,648 -0.153,649 -0.025,650 -0.081,651 -0.308,652 -0.168,653 -0.18,654 0.087,655 0.068,656 0.236,657 -0.216,658 0.171,659 1.571,660 2.011,661 0.72,662 21.997,663 1.012,664 1.122,665 3.972,666 15.774,667 0.758,668 3.332,669 3.638,670 3.829,671 4.043,672 4.277,673 4.263,674 4.234,675 4.407,676 4.522,677 4.431,678 6.142,679 0.713,680 462.17,681 3.332,682 4.86,683 5.68,684 6.538,685 7.376,686 8.237,687 9.082,688 9.945,689 10.795,690 11.66,691 15.4,695 2,699 1,700 1,701 2,709 8,710 2,714 8,716 18,719 1,728 2,729 1,737 2,738 39,739 19,740 2,741 27,742 2,743 41,744 17,745 16,746 4,747 8,748 1,752 3,753 3,768 17,772 1,780 1,781 1,789 14,790 6,791 5,792 8,793 2,797 6,803 1,817 1,823 3,855 3,858 2,862 25,863 2,871 1,885 2,893 13.167,894 6.802,895 5.472,896 1.999,898 3.892,899 1.559,900 1.022,901 5.683,902 10.855,903 3.638,904 4.256,905 4.794,906 5.339,907 5.887,908 6.05,909 6.286,910 6.783,911 7.232,912 7.522,913 1,914 36,915 9.114,917 3.758,918 7.753,919 17.131,921 13.462,924 2.253,925 56.333,929 105.94,930 106.222,931 226.07,936 198.13,937 105.94,938 134.162,941 141.604,942 54.39,943 49.606,944 6.555,945 94.169,946 91.908,947 105.94,948 240.383,951 91.908,952 105.94,956 36.695,957 161.069,958 42.618,959 91.908,960 105.94,961 134.162,962 198.13,965 105.94,966 21.364,967 84.857,968 109.919,969 116.151,970 105.94,971 134.162,972 198.13,973 0.583,974 0.322,975 0.165,976 0.097,977 17,978 8,979 0.098,980 4,982 1,983 3.717,984 198.976,986 18,987 108.096,993 17.862,994 7.954,995 4.784,997 134.162,998 15.264,999 8.258,1003 5.017,1005 83.805,1006 438.231,1007 37,1015 1.624,1016 4.43,1020 39.487,1021 43.749,1022 0.319,1023 0.64,1024 0.757,1025 0.864,1026 0.893,1027 0.903,1028 4.848,1029 1.037,1030 5.659,1031 5.21,1032 4.317,1033 4.942,1034 0.713,1035 6.409,1036 4.162,1037 6.068,1038 1,1039 7.183,1040 2.551,1041 3.892,1042 4.691,1044 7.168,1045 3.569,1046 7.365,1047 1,1048 8.798,1049 2.275,1050 5.861,1051 7.129,1052 0.27,1053 10.211,1054 5.589,1055 8.693,1056 0.311,1057 10.464,1058 2.275,1059 6.176,1060 7.614,1062 11.781,1063 5.776,1064 10.046,1065 0.066,1066 12.165,1067 0.775,1068 7.645,1069 9.546,1070 0.097,1071 14.365,1072 7.279,1073 11.416,1074 -0.319,1075 13.891,1076 0.156,1077 8.326,1078 10.408,1080 16.328,1081 7.868,1082 12.801,1083 -0.368,1084 15.637,1085 -0.712,1086 9.58,1087 12.097,1088 0.034,1089 18.745,1090 9.13,1091 3.057,1092 -0.614,1093 17.4,1094 -0.946,1095 10.458,1096 13.177,1098 20.9,1099 9.937,1100 2.62,1101 10.121,1102 19.179,1103 -1.428,1104 11.616,1105 14.733,1106 0.012,1107 23.254,1108 11.083,1109 2.591,1110 7.288,1111 20.971,1112 4.124,1113 12.6,1114 15.943,1116 25.497,1117 12.008,1118 2.17,1119 7.141,1120 22.775,1121 3.646,1122 13.718,1123 17.426,1124 0.004,1125 27.827,1126 13.1,1127 2.147,1128 5.965,1129 24.589,1130 3.605,1131 14.759,1132 18.715,1134 30.109,1135 14.088,1136 2.042,1137 5.938,1138 26.412,1139 2.896,1140 15.863,1141 20.158,1142 0.002,1143 32.429,1144 15.158,1145 1.792,1146 5.661,1147 28.242,1148 2.773,1149 16.934,1150 21.494,1152 34.729,1153 16.18,1154 6887,1155 13248,1156 17.8,1157 29.546,1158 40.33,1159 40.633,1160 40.968,1161 40.041,1162 39.667,1163 54.133,1164 2,1165 110.711,1166 36.231,1167 5.198,1168 5.17,1169 5.903,1170 5.083,1171 5.057,1172 7.124,1173 1.2,1174 17.042,1175 4.914,1176 12.902,1177 1.494,1178 1.505,1179 1.517,1180 1.483,1181 1.469,1182 2.005,1183 0.074,1184 4.1,1185 1.342,1186 3.983,1187 4.026,1188 6.882,1189 3.898,1190 5.294,1191 3.892,1192 3.884,1193 3.911,1194 6.879,1195 3.845,1196 4.984,1197 3.826,1198 3.798,1199 3.838,1200 3.923,1201 3.678,1202 4.851,1203 3.694,1204 3.257,1205 3.335,1206 3.74,1207 3.067,1208 4.77,1209 3.073,1210 3.101,1211 3.193,1212 3.679,1213 2.962,1214 4.497,1215 2.93,1216 3.013,1217 3.116,1218 3.139,1219 2.796,1220 4.297,1221 2.78,1222 2.854,1223 2.925,1224 2.932,1225 2.735,1226 3.949,1227 2.715,1228 2.854,1229 2.925,1230 2.814,1231 2.735,1232 3.674,1233 2.715,1234 0.164,1235 0.117,1236 0.24,1237 0.149,1238 0.113,1239 4.429,1240 0.153,1241 3.17,1242 0.022,1243 6.489,1244 0.375,1245 4.01,1246 0.108,1247 3.057,1248 4.124,1249 0.6,1250 10.121,1251 2.914,1252 1.913,1253 1.884,1254 1.982,1255 2.043,1256 1.081,1257 2.026,1258 1.877,1259 1.853,1260 1.953,1261 1.951,1262 1.059,1263 1.965,1264 1.74,1265 1.701,1266 1.795,1267 1.884,1268 0.834,1269 1.876,1270 1.161,1271 1.092,1272 1.333,1273 1.439,1274 0.218,1275 1.422,1276 1.002,1277 0.941,1278 1.215,1279 1.325,1280 0.218,1281 1.308,1282 0.913,1283 0.821,1284 1.181,1285 1.226,1286 0.213,1287 1.219,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.147,1293 1.107,1294 0.886,1295 0.82,1296 1.129,1297 1.062,1299 1.107,1300 4.007,1302 5.313,1304 6.804,1306 8.379,1308 9.998,1309 6.802,1313 11.741,1317 3.196,1326 27.813,1327 65.831,1328 131.992,1329 156.131,1330 178.131,1331 184.131,1332 186.131,1333 34.103,1334 6.963,1335 102.21,1336 102.21,1337 18,1338 12.21,1339 4.322,1340 3.459,1341 41.636,1342 88,1343 101,1344 0.222,1345 186.98,1346 311.04,1347 447.99,1348 9570,1349 5.1,1350 17.811,1351 0.712,1352 0.645,1353 19.811,1354 16.12,1355 12.008,1356 0.445,1357 0.328,1358 7.278,1359 10.531,1360 7.031,1361 5.836,1362 13.163,1363 8.849,1364 11.043,1365 0.298,1366 0.187,1367 12.676,1368 6.927,1369 8.631,1370 0.192,1371 0.096,1372 9.786,1373 4.326,1374 6.892,1375 0.123,1376 0.046,1377 7.559,1378 2.592,1379 5.624,1380 0.079,1381 0.027,1382 6.567,1383 1.903,1384 0.347,1385 91.048,1386 0.237,1387 24.343,1388 0.616,1389 128,1390 373.202,1391 269.955,1392 449.316,1393 596.6,1394 416,1395 146,1396 394.509,1397 212.187,1398 428.678,1399 618.64,1400 403,1401 4.147}
{0 CHEMBL1970272,1 1.576,2 9.464,3 5.445,4 29.651,5 112.544,6 7.717,7 0.5,8 4.047,9 4.151,10 3.708,11 3.644,12 5.049,13 3.6,14 4.622,15 4.784,16 4.116,17 4.043,18 5.571,19 3.986,20 4.824,21 5.019,22 4.104,23 4.159,24 5.72,25 4.039,26 4.838,27 5.077,28 4.032,29 4.129,30 5.691,31 3.983,32 4.717,33 4.914,34 4.13,35 4.1,36 5.612,37 3.974,38 4.765,39 4.97,40 4.094,41 4.135,42 5.619,43 3.995,44 4.758,45 4.941,46 3.901,47 4.062,48 5.672,49 3.958,50 4.814,51 5.049,52 3.796,53 4.018,54 5.665,55 3.907,56 0.01,57 0.737,58 10.767,59 5.059,60 6.618,61 6.253,62 0.233,63 1.289,64 23.258,65 8.271,66 19.156,67 10.562,68 0.364,69 1.512,70 29.367,71 11.176,72 30.071,73 13.985,74 0.339,75 1.646,76 36.846,77 11.893,78 30.571,79 14.619,80 0.334,81 1.406,82 29.517,83 10.571,84 25.148,85 12.914,86 0.197,87 1.506,88 35.16,89 12.153,90 21.593,91 14.133,92 0.382,93 1.407,94 30.88,95 10.69,96 30.513,97 12.786,98 0.322,99 1.423,100 27.351,101 10.304,102 29.875,103 14.191,104 2,105 45,106 0.263,107 0.602,108 0.814,109 0.891,110 0.891,111 0.891,112 3.375,113 0.992,114 -3.73,115 -3.7,116 -3.52,120 43.1,121 1,122 2,126 4,128 1,143 6,144 3,147 1,148 1,152 1,153 1,160 1,174 9,176 1,177 11,185 8,188 2,189 7,197 8,200 2,201 5,209 7,213 2,214 7,222 8,227 7,235 5,239 2,240 9,247 3,251 1,252 7,260 5,264 6,271 8,274 1232,275 19.463,276 19.463,277 19.463,278 19.463,279 19.463,280 17.27,281 20.282,282 11.566,283 19.978,284 15.864,285 15.864,286 15.864,287 15.864,288 15.864,289 12.607,290 23.038,291 5.573,292 16.782,293 4.096,294 2.062,295 0.79,296 0.329,297 0.329,298 0.329,299 4.09,306 1,307 1,308 596,309 2.739,312 124.787,313 181.445,317 198.959,320 1.503,321 18.561,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 59.5,333 265,334 4.574,335 4.67,336 6.566,337 4.113,338 3.164,339 4.506,340 3.659,341 10.46,342 3.035,343 4.188,344 3.419,345 6.285,346 3.833,347 2.901,348 3.607,349 0.993,350 9.527,351 2.697,352 3.92,353 3.031,354 5.853,355 3.523,356 2.543,357 3.471,358 0.86,359 8.053,360 2.491,361 3.756,362 2.915,363 5.371,364 3.478,365 2.542,366 3.099,367 0.575,368 7.049,369 2.369,370 3.499,371 2.851,372 5.307,373 3.248,374 2.307,375 2.773,376 0.359,377 6.805,378 2.149,379 3.393,380 2.544,381 5.072,382 2.938,383 1.976,384 2.507,386 5.895,387 1.9,388 3.032,389 2.079,390 4.675,391 2.643,392 1.724,393 2.231,395 4.941,396 1.567,397 2.864,398 1.727,399 4.177,400 2.434,401 1.466,402 1.939,404 3.71,405 1.409,406 2.624,407 1.637,408 3.792,409 2.261,410 1.312,411 1.664,413 2.989,414 1.232,415 2.422,416 1.471,417 3.496,418 2.183,419 1.202,420 1.393,422 2.677,423 1.176,424 2.203,425 1.218,426 3.38,427 1.889,428 0.94,429 1.156,431 2.294,432 0.886,433 2.118,434 1.164,435 3.069,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.69,443 0.963,444 3,445 1.516,446 0.618,447 0.618,449 1.372,450 0.549,451 1.618,452 0.752,453 3,454 1.392,455 0.497,456 0.556,458 1.222,459 0.438,460 1.237,461 0.618,462 2.862,463 0.994,464 0.063,465 0.072,467 0.169,468 0.058,469 13.7,470 0.489,471 0.585,472 0.021,473 34.75,474 1.241,475 16,476 0.571,477 18.75,478 0.67,479 25.463,480 0.909,481 29.5,482 0.578,483 23.354,484 0.834,485 6.638,486 0.237,487 7.121,488 0.254,489 0.036,491 0.321,496 0.846,497 1.265,498 0.731,499 1.005,500 0.796,501 0.934,502 1.239,503 1.081,504 0.839,505 0.934,506 1.074,507 0.874,508 1.18,509 1.133,510 0.976,511 0.94,512 1.129,513 1.016,514 0.896,515 0.984,516 1.374,517 1.104,518 1.031,519 0.937,520 0.828,521 1.044,522 1.048,523 1.061,524 0.92,525 0.975,526 0.936,527 1.171,528 1.493,529 1.322,530 0.873,531 1.012,532 1.393,533 1.136,534 1.448,535 1.259,536 1.197,537 1.144,538 0.907,539 0.975,540 0.78,541 0.893,542 0.943,543 1.028,544 5,545 0.096,546 2.667,547 1.382,548 1.742,549 0.691,550 0.599,551 0.448,552 0.229,553 0.211,554 10194,555 23411,556 2.223,557 45.1,558 3,559 15,560 1,564 4,567 1.717,568 2.154,569 3.237,570 -0.778,575 80.389,576 1.576,577 3.61,578 4.883,579 5.344,580 5.344,581 5.344,582 2.664,583 4.522,584 4.776,585 3.427,586 1295.59,587 8.342,588 17050.9,593 289.294,594 1.108,595 4.769,596 0.156,597 0.004,598 0.059,599 0.033,600 0.045,601 0.017,602 0.015,603 0.012,604 0.007,605 0.007,606 0.355,607 0.33,608 0.88,609 0.343,610 138.931,611 0.009,612 -0.177,613 0.093,614 -0.038,615 0.028,616 0.003,617 -0.044,618 -0.008,619 0.101,620 0.025,621 -0.027,622 0.051,623 -0.041,624 -0.118,625 -0.002,626 0.035,627 -0.051,628 -0.064,629 -0.063,630 0.144,631 -0.09,632 0.018,633 -0.064,634 0.044,635 0.117,636 0.029,637 0.113,638 0.031,639 0.016,640 0.004,641 -0.055,642 -0.069,643 -0.083,644 -0.079,645 0.016,646 0.002,647 -0.112,648 -0.088,649 -0.347,650 -0.216,651 -0.069,652 -0.196,653 0.059,654 -0.022,655 -0.042,656 -0.073,657 0.07,658 -0.08,659 1.091,660 2.259,661 0.857,662 27.143,663 0.997,664 1.117,665 2.501,666 6.255,667 0.69,668 3.497,669 3.829,670 4.127,671 4.419,672 4.644,673 4.812,674 5.024,675 5.257,676 5.438,677 5.497,678 6.129,679 0.646,680 393.55,681 3.497,682 5.043,683 5.905,684 6.788,685 7.666,686 8.555,687 9.442,688 10.336,689 11.229,690 12.126,691 5.9,694 1,700 1,701 1,708 2,709 7,710 1,712 1,714 4,716 16,738 51,739 17,740 1,741 32,743 55,744 22,745 13,746 3,747 3,752 5,753 8,759 1,763 3,766 3,768 14,769 8,772 1,781 1,782 1,788 1,789 23,790 5,792 6,793 1,797 3,803 0.6,804 2,810 1,816 1,822 2,823 3,827 2,851 1,854 1,855 3,856 1,857 1,859 1,862 28,869 6,872 1,873 1,874 1,875 1,886 3.9,890 1,891 1,893 13,894 9.517,895 6.028,896 3.201,898 3.331,899 1.418,900 1.021,901 5.039,902 11.302,903 3.738,904 4.341,905 4.923,906 5.512,907 6.027,908 6.409,909 6.853,910 7.313,911 7.739,912 7.904,913 1,914 42,915 10.379,917 4.452,918 7.458,919 20.513,921 17.45,924 1.958,925 54.833,929 270.735,930 143.972,931 36.695,933 20.507,935 32.22,936 111.753,937 291.243,938 36.695,939 8.825,940 15.979,941 68.597,942 27.785,943 40.505,944 19.035,945 291.184,947 270.735,948 148.448,949 20.507,950 32.22,952 223.651,953 56.592,954 11,956 46.858,957 84.805,958 16.786,959 32.22,960 270.735,961 57.203,962 143.972,965 270.735,966 66.55,967 80.546,969 54.078,970 270.735,971 57.203,972 143.972,973 0.582,974 0.34,975 0.187,976 0.094,977 24,978 9,979 0.073,980 4,981 2,982 1.167,983 4.075,984 256.045,985 0.167,986 24,987 132.606,989 1,993 18.08,994 7.804,995 3.815,996 2.267,997 57.203,998 14.284,999 4.978,1001 5.59,1003 4.449,1006 471.91,1007 41,1016 4.927,1017 1,1020 50.872,1021 56.986,1022 0.278,1023 0.636,1024 0.861,1025 0.942,1026 0.942,1027 0.942,1028 4.984,1029 1.466,1030 5.878,1031 4.941,1032 4.511,1033 5.027,1034 3.435,1035 6.681,1036 4.404,1037 6.174,1038 1.312,1039 7.424,1040 3.71,1041 4.007,1042 4.783,1043 2.048,1044 7.516,1045 3.845,1046 7.475,1047 1.202,1048 9.068,1049 2.989,1050 6.094,1051 7.219,1052 5.8,1053 10.632,1054 5.885,1055 8.813,1056 0.94,1057 10.77,1058 2.677,1059 6.447,1060 7.865,1061 4.989,1062 12.301,1063 6.181,1064 10.184,1065 0.618,1066 12.511,1067 2.294,1068 7.947,1069 9.732,1070 8.338,1071 14.909,1072 7.641,1073 11.578,1074 0.618,1075 14.278,1076 1.372,1077 8.698,1078 10.807,1079 7.866,1080 16.932,1081 8.337,1082 12.99,1083 0.497,1084 16.063,1085 1.372,1086 9.965,1087 12.449,1088 10.891,1089 19.361,1090 9.565,1091 3.164,1092 0.063,1093 17.861,1094 1.222,1095 10.909,1096 13.74,1097 10.664,1098 21.546,1099 10.457,1100 2.901,1101 10.46,1102 19.671,1103 0.169,1104 12.082,1105 15.29,1106 13.446,1107 23.908,1108 11.591,1109 2.543,1110 9.527,1111 21.489,1112 4.506,1113 13.119,1114 16.688,1115 13.413,1116 26.169,1117 12.581,1118 2.542,1119 8.053,1120 23.315,1121 3.607,1122 14.258,1123 18.203,1124 16.004,1125 28.507,1126 13.68,1127 2.307,1128 7.049,1129 25.147,1130 3.471,1131 15.341,1132 19.655,1133 16.13,1134 30.804,1135 14.719,1136 1.976,1137 6.805,1138 26.984,1139 3.099,1140 16.47,1141 21.158,1142 18.564,1143 33.134,1144 15.809,1145 1.724,1146 5.895,1147 28.825,1148 2.773,1149 17.578,1150 22.636,1151 18.823,1152 35.449,1153 16.874,1154 9319,1155 14283,1156 22.364,1157 35.188,1158 47.927,1159 50.717,1160 47.433,1161 47.723,1162 47.746,1163 61.037,1164 12.893,1165 137.066,1166 45.15,1167 5.52,1168 6.67,1169 6.195,1170 5.297,1171 5.164,1172 7.506,1173 7.139,1174 17.346,1175 5.035,1176 6.848,1177 1.498,1178 1.585,1179 1.482,1180 1.491,1181 1.492,1182 1.907,1183 0.403,1184 4.283,1185 1.411,1186 4.099,1187 4.125,1188 4.156,1189 4.041,1190 5.078,1191 4.036,1192 3.912,1193 3.933,1194 3.871,1195 3.76,1196 4.964,1197 3.775,1198 3.826,1199 3.864,1200 3.79,1201 3.663,1202 4.694,1203 3.665,1204 3.658,1205 3.697,1206 3.675,1207 3.575,1208 4.509,1209 3.551,1210 3.355,1211 3.42,1212 3.278,1213 3.21,1214 4.29,1215 3.205,1216 3.188,1217 3.271,1218 3.147,1219 3.045,1220 4.029,1221 3.03,1222 3.159,1223 3.233,1224 3.009,1225 2.98,1226 3.83,1227 2.971,1228 2.842,1229 2.918,1230 2.909,1231 2.795,1232 3.622,1233 2.709,1234 0.143,1235 0.146,1236 0.205,1237 0.129,1238 0.099,1239 4.574,1240 0.141,1241 4.67,1242 0.114,1243 6.566,1244 0.327,1245 4.113,1246 0.095,1247 3.164,1248 4.506,1249 3.659,1250 10.46,1251 3.035,1252 2.056,1253 2.035,1254 2.123,1255 2.131,1256 1.296,1257 2.134,1258 1.719,1259 1.677,1260 1.89,1261 1.893,1262 1.253,1263 1.892,1264 1.615,1265 1.558,1266 1.822,1267 1.78,1268 1.07,1269 1.806,1270 1.509,1271 1.475,1272 1.685,1273 1.679,1274 0.945,1275 1.682,1276 1.43,1277 1.375,1278 1.676,1279 1.616,1280 0.838,1281 1.638,1282 1.358,1283 1.33,1284 1.57,1285 1.585,1286 0.635,1287 1.573,1288 1.222,1289 1.161,1290 1.495,1291 1.423,1292 0.564,1293 1.458,1294 1.07,1295 1.024,1296 1.273,1297 1.311,1298 0.444,1299 1.302,1300 4.174,1302 5.501,1303 3.045,1304 7.017,1305 5.13,1306 8.629,1307 6.952,1308 10.297,1310 2.116,1315 5.278,1318 5.759,1319 1.661,1320 0.242,1321 2.282,1326 32.949,1327 80.389,1328 184.132,1329 249.029,1330 272.539,1331 272.539,1332 272.539,1333 34.381,1334 7.971,1335 50.86,1336 76.16,1337 28,1338 12.651,1339 4.17,1340 3.322,1341 37.391,1342 102,1343 94,1344 0.177,1345 200.922,1346 342.63,1347 482.01,1348 31979,1350 18.924,1351 0.676,1352 0.598,1353 19.278,1354 16.744,1355 13.759,1356 0.43,1357 0.331,1358 9.71,1359 12.856,1360 9.399,1361 7.73,1362 14.167,1363 10.582,1364 12.429,1365 0.276,1366 0.186,1367 13.071,1368 8.351,1369 10.827,1370 0.177,1371 0.105,1372 11.648,1373 6.404,1374 9.241,1375 0.113,1376 0.058,1377 10.082,1378 4.776,1379 7.119,1380 0.069,1381 0.033,1382 8.191,1383 3.37,1384 0.273,1385 89.891,1386 0.211,1387 26.472,1388 0.505,1389 154,1390 409.267,1391 194.622,1392 412.131,1393 578.89,1394 392,1395 183,1396 419.398,1397 220.799,1398 439.423,1399 651.06,1400 414,1401 4.351}
{0 CHEMBL1971760,1 1.714,2 7.857,3 3.772,4 14.225,5 85.832,6 8.835,7 0.478,8 3.65,9 3.764,10 3.42,11 3.265,12 4.857,13 3.229,14 4.101,15 4.255,16 3.763,17 3.586,18 5.279,19 3.546,20 4.215,21 4.404,22 3.738,23 3.573,24 5.426,25 3.521,26 4.214,27 4.41,28 3.716,29 3.56,30 5.439,31 3.491,32 4.204,33 4.393,34 3.749,35 3.556,36 5.449,37 3.487,38 4.121,39 4.307,40 3.635,41 3.549,42 5.305,43 3.459,44 4.158,45 4.353,46 3.467,47 3.537,48 5.277,49 3.416,50 4.14,51 4.381,52 3.03,53 3.322,54 5.261,55 3.18,56 0.064,57 0.609,58 5.416,59 2.956,60 4.768,61 3.31,62 0.157,63 0.95,64 11.821,65 4.606,66 12.579,67 5.212,68 0.222,69 1.055,70 13.226,71 5.319,72 21.042,73 6.088,74 0.327,75 1.088,76 17.125,77 5.88,78 26.734,79 5.978,80 0.34,81 1.109,82 16.834,83 5.664,84 32.36,85 5.46,86 0.234,87 0.932,88 14.317,89 5.345,90 20.729,91 6.098,92 0.178,93 0.929,94 15.438,95 6.072,96 20.588,97 6.714,98 0.31,99 0.883,100 15.45,101 5.709,102 34.929,103 6.703,104 6,105 31,106 0.313,107 0.667,108 0.81,109 0.893,110 0.904,111 0.904,112 3.104,113 0.943,114 -4.63,115 -4.55,116 -4.28,120 44.1,125 1,138 1,139 1,143 6,144 1,145 1,152 1,153 1,156 1,160 1,167 1,174 5,176 1,177 3,182 2,185 4,188 1,189 4,192 1,197 3,201 6,204 1,209 1,214 5,222 2,227 4,230 1,232 2,235 3,240 2,245 1,247 3,257 2,260 3,269 1,271 3,274 606,275 14.56,276 14.56,277 14.56,278 14.56,279 14.56,280 12.385,281 10.28,282 8.711,283 15.033,284 11.287,285 11.287,286 11.287,287 11.287,288 11.287,289 8.36,290 10.41,291 4.021,292 12.081,293 3.374,294 1.435,295 0.655,296 0.199,297 0.14,298 0.14,299 3.783,305 1,306 1,307 1,308 353,309 2.449,312 115.085,313 65.355,320 1.211,321 18.235,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 165,334 4.481,335 4.569,336 6.789,337 4.126,338 3.187,339 4.014,340 3.655,341 11.155,342 3.003,343 4.029,344 3.202,345 6.038,346 3.595,347 2.663,348 3.557,349 0.683,350 8.517,351 2.486,352 3.926,353 2.941,354 5.35,355 3.47,356 2.518,357 3.365,358 0.267,359 6.989,360 2.372,361 3.332,362 2.68,363 4.998,364 2.767,365 1.844,366 2.543,368 5.358,369 1.694,370 3.011,371 2.489,372 4.264,373 2.443,374 1.514,375 2.1,377 3.79,378 1.396,379 2.862,380 1.781,381 3.844,382 2.381,383 1.414,384 2.016,386 3.078,387 1.351,388 2.639,389 1.574,390 3.582,391 2.14,392 1.175,393 1.649,395 2.734,396 1.128,397 2.479,398 1.305,399 3.488,400 2.015,401 1.098,402 1.428,404 2.597,405 0.987,406 2.118,407 1.24,408 3.017,409 1.567,410 0.618,411 0.927,413 1.372,414 0.585,415 1.899,416 0.889,417 3,418 1.39,419 0.528,420 0.649,422 1.134,423 0.449,424 1.614,425 0.618,426 2.733,427 1.213,428 0.302,429 0.379,431 0.509,432 0.274,433 1.091,434 0.47,435 2.356,436 0.704,437 -0.194,438 -0.233,440 -0.41,441 -0.168,442 0.653,443 0.094,444 2.059,445 0.296,446 -0.632,447 -0.738,449 -1.451,450 -0.57,451 0.476,452 -0.414,453 2,454 0.096,455 -0.886,456 -1.181,458 -2.18,459 -0.867,460 0.199,461 -0.835,462 2,463 -0.283,464 -1.219,465 -1.596,467 -2.778,468 -1.142,469 10.219,470 0.487,471 0.38,472 0.018,473 28,474 1.333,475 14.5,476 0.69,477 13.5,478 0.643,479 14.381,480 0.685,481 21.581,482 0.635,483 18.758,484 0.893,485 5.912,486 0.282,487 4.38,488 0.209,489 0.077,491 0.284,494 1,496 0.629,497 1.002,498 0.676,499 0.854,500 0.551,501 0.828,502 0.799,503 1.104,504 0.862,505 1.019,506 0.677,507 0.887,508 1.055,509 1.165,510 0.8,511 0.945,512 0.995,513 0.95,514 1.322,515 1.087,516 1.246,517 1.035,518 1.285,519 0.894,520 1.391,521 1.135,522 1.233,523 1.07,524 1.345,525 0.947,526 0.673,527 0.877,528 1.066,529 1.06,530 0.535,531 0.977,532 0.952,533 1.06,534 1.283,535 1.24,536 0.901,537 1.203,538 1.221,539 0.953,540 1.204,541 1.103,542 1.394,543 1.282,544 3,545 0.005,546 2.444,547 1.417,548 0.962,549 0.622,550 0.326,551 0.212,552 0.105,553 0.045,554 4179,555 12822,556 2.102,557 38.2,559 9,560 2,561 1,562 1,567 1.637,568 2,569 2.994,570 -0.244,572 1,574 1,575 58.265,576 1.714,577 3.652,578 4.433,579 4.889,580 4.948,581 4.948,582 2.453,583 4.107,584 4.363,585 3.138,586 658.878,587 7.504,588 7001.12,589 1,590 1,591 1,592 1,593 172.974,594 1.268,595 4.338,596 0.13,597 0.002,598 0.079,599 0.049,600 0.034,601 0.023,602 0.013,603 0.01,604 0.008,605 0.006,606 0.353,607 0.33,608 1,609 0.741,610 93.798,611 0.011,612 -0.05,613 0.058,614 0.02,615 -0.051,616 0.009,617 -0.02,618 -0.142,619 0.032,620 -0.084,621 -0.037,622 -0.012,623 -0.019,624 -0.145,625 0.063,626 -0.054,627 0.007,628 -0.052,629 -0.082,630 0.043,631 -0.106,632 0.024,633 -0.062,634 0.024,635 -0.128,636 0.015,637 -0.098,638 -0.019,639 -0.096,640 -0.051,641 0.091,642 0.047,643 -0.031,644 -0.037,645 0.123,646 -0.027,647 -0.128,648 -0.122,649 -0.243,650 -0.196,651 -0.065,652 -0.217,653 -0.092,654 0.046,655 -0.307,656 -0.18,657 -0.137,658 -0.279,659 1.943,660 5.985,661 0.762,662 15.374,663 1.012,664 1.127,665 3.398,666 11.548,667 0.718,668 3.178,669 3.466,670 3.761,671 4.007,672 4.078,673 4.143,674 4.22,675 4.248,676 4.22,677 4.127,678 5.019,679 0.685,680 300.39,681 3.178,682 4.691,683 5.541,684 6.409,685 7.277,686 8.154,687 9.031,688 9.912,689 10.793,690 11.677,691 11.8,694 1,699 1,700 2,709 7,711 1,714 3,716 11,737 1,738 34,739 14,740 1,741 23,743 36,744 15,745 10,746 2,747 4,748 3,752 3,753 3,755 1,768 14,769 1,772 3,780 2,781 2,782 2,786 1,787 1,789 13,790 4,791 1,792 6,793 1,797 4,803 1,818 1,822 2,823 1,845 1,855 3,856 1,857 1,859 1,861 1,862 21,873 1,875 1,885 1,893 10.5,894 6.41,895 4.778,896 1.833,898 2.7,899 1.409,900 1.008,901 4.112,902 9.305,903 3.481,904 4.039,905 4.596,906 5.13,907 5.428,908 5.661,909 5.989,910 6.312,911 6.592,912 6.763,913 1,914 29,915 7.722,917 3.232,918 7.817,919 14.53,921 11.511,924 2.317,925 48.667,929 141.253,930 141.923,931 53.236,934 14.96,935 32.22,936 109.703,937 141.253,938 68.196,939 8.396,940 7.841,941 65.905,942 23.575,943 65.542,944 41.952,945 138.159,947 141.253,948 162.939,949 14.96,950 32.22,952 156.213,956 53.236,957 97.899,958 11.804,959 32.22,960 156.213,961 53.236,962 141.923,965 141.253,966 50.733,967 94.192,968 16.786,969 48.409,970 141.253,971 68.196,972 141.923,973 0.567,974 0.346,975 0.192,976 0.09,977 15,978 6,979 0.083,980 3,982 1,983 3.36,984 160.323,986 16,987 92.239,989 1,993 13.959,994 6.185,995 2.88,997 51.41,998 12.264,1000 3.044,1003 1.101,1005 16.786,1006 351.372,1007 31.5,1015 3.54,1016 8.589,1017 1.387,1020 34.414,1021 38.329,1022 0.337,1023 0.718,1024 0.871,1025 0.961,1026 0.973,1027 0.973,1028 4.689,1029 1.098,1030 5.501,1031 2.734,1032 4.143,1033 4.723,1034 3.326,1035 6.304,1036 4.014,1037 5.884,1038 0.618,1039 7.052,1040 2.597,1041 3.611,1042 4.27,1043 1.998,1044 7.235,1045 3.41,1046 7.175,1047 0.528,1048 8.711,1049 1.372,1050 5.714,1051 6.842,1052 5.789,1053 10.358,1054 5.469,1055 8.508,1056 0.302,1057 10.438,1058 1.134,1059 6.111,1060 7.303,1061 4.966,1062 12.188,1063 5.783,1064 9.874,1065 -0.194,1066 12.21,1067 0.509,1068 7.604,1069 9.22,1070 8.333,1071 14.819,1072 7.243,1073 11.265,1074 -0.632,1075 14.013,1076 -0.41,1077 8.414,1078 10.113,1079 7.844,1080 16.99,1081 7.97,1082 12.674,1083 -0.886,1084 15.839,1085 -1.451,1086 9.679,1087 11.746,1088 10.884,1089 19.471,1090 9.197,1091 3.187,1092 -1.219,1093 17.68,1094 -2.18,1095 10.672,1096 12.858,1097 10.641,1098 21.779,1099 10.115,1100 2.663,1101 11.155,1102 19.535,1103 -2.778,1104 11.853,1105 14.357,1106 13.438,1107 24.211,1108 11.251,1109 2.518,1110 8.517,1111 21.399,1112 4.014,1113 12.929,1114 15.586,1115 13.389,1116 26.576,1117 12.258,1118 1.844,1119 6.989,1120 23.271,1121 3.557,1122 14.082,1123 17.02,1124 15.994,1125 28.992,1126 13.36,1127 1.514,1128 5.358,1129 25.149,1130 3.365,1131 15.196,1132 18.313,1133 16.103,1134 31.382,1135 14.41,1136 1.414,1137 3.79,1138 27.033,1139 2.543,1140 16.343,1141 19.716,1142 18.552,1143 33.793,1144 15.503,1145 1.175,1146 3.078,1147 28.921,1148 2.1,1149 17.476,1150 21.045,1151 18.795,1152 36.195,1153 16.574,1154 4082,1155 7276,1156 15.603,1157 24.415,1158 34.65,1159 36.654,1160 34.901,1161 33.743,1162 33.723,1163 45.254,1164 9.209,1165 94.468,1166 31.451,1167 5.341,1168 6.569,1169 6.473,1170 5.237,1171 5.187,1172 7.014,1173 7.134,1174 18.485,1175 5.003,1176 7.83,1177 1.507,1178 1.594,1179 1.517,1180 1.467,1181 1.466,1182 1.968,1183 0.4,1184 4.107,1185 1.367,1186 3.989,1187 4.031,1188 4.085,1189 3.906,1190 8.201,1191 3.9,1192 3.91,1193 3.949,1194 3.86,1195 3.788,1196 4.95,1197 3.798,1198 3.657,1199 3.706,1200 3.775,1201 3.569,1202 4.764,1203 3.531,1204 3.246,1205 3.34,1206 3.107,1207 3.035,1208 4.607,1209 3.035,1210 3.091,1211 3.154,1212 3.083,1213 2.914,1214 4.368,1215 2.924,1216 2.9,1217 2.958,1218 2.841,1219 2.733,1220 4.047,1221 2.735,1222 2.744,1223 2.802,1224 2.752,1225 2.666,1226 3.568,1227 2.612,1228 2.561,1229 2.684,1230 2.352,1231 2.276,1232 3.445,1233 2.276,1234 0.195,1235 0.199,1236 0.295,1237 0.179,1238 0.139,1239 4.481,1240 0.175,1241 4.569,1242 0.159,1243 6.789,1244 0.485,1245 4.126,1246 0.131,1247 3.187,1248 4.014,1249 3.655,1250 11.155,1251 3.003,1252 1.902,1253 1.879,1254 1.995,1255 1.991,1256 1.094,1257 1.992,1258 1.594,1259 1.544,1260 1.712,1261 1.814,1262 0.757,1263 1.786,1264 1.461,1265 1.402,1266 1.655,1267 1.667,1268 0.653,1269 1.664,1270 1.395,1271 1.328,1272 1.635,1273 1.61,1274 0.624,1275 1.633,1276 1.319,1277 1.287,1278 1.423,1279 1.439,1280 0.571,1281 1.453,1282 0.914,1283 0.832,1284 1.123,1285 1.158,1286 0.189,1287 1.182,1288 0.861,1289 0.805,1290 1.078,1291 1.068,1292 0.158,1293 1.08,1294 0.703,1295 0.65,1296 0.882,1297 0.878,1299 0.919,1300 3.85,1302 5.142,1303 3.045,1304 6.627,1305 5.283,1306 8.203,1307 7.273,1308 9.829,1310 1.692,1312 13.985,1319 1.423,1321 1.643,1326 23.29,1327 58.265,1328 124.18,1329 150.709,1330 166.219,1331 168.219,1332 168.219,1333 29.631,1334 6.605,1335 45.44,1336 73.68,1337 16,1338 12.211,1339 3.907,1340 3.248,1341 31.958,1342 60,1343 59,1344 0.255,1345 148.562,1346 256.64,1347 354.252,1348 5681,1349 2.9,1350 14.656,1351 0.698,1352 0.578,1353 14.14,1354 12.141,1355 10.292,1356 0.447,1357 0.314,1358 6.328,1359 9.437,1360 6.093,1361 5.098,1362 10.335,1363 7.233,1364 8.727,1365 0.282,1366 0.165,1367 8.75,1368 5.125,1369 7.661,1370 0.182,1371 0.092,1372 7.92,1373 3.868,1374 6.381,1375 0.118,1376 0.051,1377 6.799,1378 2.756,1379 4.388,1380 0.076,1381 0.027,1382 4.734,1383 1.586,1384 0.387,1385 69.163,1386 0.253,1387 20.604,1388 0.74,1389 108,1390 372.24,1391 142.858,1392 360.55,1393 490.99,1394 338,1395 127,1396 348.984,1397 159.918,1398 362.868,1399 529.37,1400 340,1401 6.796}
{0 CHEMBL1973921,1 1.611,2 13.677,3 3.168,4 10.036,5 115.62,6 8.067,7 0.545,8 4.055,9 4.153,10 3.668,11 3.572,12 5.322,13 3.582,14 4.503,15 4.635,16 3.972,17 3.897,18 5.755,19 3.895,20 4.693,21 4.835,22 4.082,23 4.003,24 6.018,25 3.994,26 4.777,27 4.955,28 3.994,29 3.948,30 6.07,31 3.925,32 4.778,33 4.993,34 3.882,35 3.885,36 6.018,37 3.849,38 4.637,39 4.839,40 3.87,41 3.839,42 6.008,43 3.794,44 4.556,45 4.74,46 3.815,47 3.818,48 5.834,49 3.783,50 4.565,51 4.744,52 3.781,53 3.794,54 5.846,55 3.76,56 0.142,57 0.718,58 9.119,59 4.595,60 12.511,61 5.204,62 0.387,63 1.057,64 16.627,65 7.077,66 32.175,67 8.279,68 0.483,69 1.263,70 20.5,71 8.411,72 49.427,73 10.025,74 0.561,75 1.351,76 24.348,77 8.606,78 56.971,79 10.54,80 0.698,81 1.316,82 27.043,83 8.522,84 85.431,85 10.823,86 0.716,87 1.15,88 22.563,89 7.971,90 90.313,91 10.597,92 0.46,93 1.085,94 19.607,95 7.323,96 54.126,97 9.182,98 0.512,99 1.084,100 19.808,101 7.156,102 61.203,103 8.76,104 30,105 44,106 0.267,107 0.574,108 0.707,109 0.828,110 0.868,111 0.887,112 3.471,113 0.842,114 -3.38,115 -3.36,116 -3.22,120 44.2,125 2,143 11,144 3,145 4,156 1,159 2,170 1,174 11,177 6,180 2,182 5,185 10,188 1,189 10,192 1,194 8,197 5,201 10,204 1,205 1,206 8,209 2,213 1,214 6,217 1,219 2,222 7,226 2,227 5,230 4,232 1,235 12,239 1,240 4,244 1,245 3,247 11,251 1,252 7,257 4,260 8,264 6,267 1,269 2,271 5,274 1861,275 21.016,276 21.016,277 21.016,278 21.016,279 21.016,280 18.398,281 21.664,282 12.439,283 21.471,284 16.115,285 16.115,286 16.115,287 16.115,288 16.115,289 12.063,290 23.998,291 5.7,292 16.631,293 4.089,294 2.233,295 1.429,296 0.697,297 0.452,298 0.337,299 4.153,306 1,307 1,308 887,309 3.937,313 342.325,320 2.333,321 38.064,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 68.5,333 424,334 4.361,335 3.621,336 6.464,337 4.011,338 3.018,339 3.959,340 1.058,341 10.006,342 2.994,343 4.249,344 3.529,345 6.069,346 3.825,347 2.866,348 3.906,349 0.98,350 8.757,351 2.788,352 4.161,353 3.13,354 6.024,355 3.784,356 2.782,357 3.749,358 0.86,359 8.57,360 2.746,361 3.718,362 2.825,363 5.292,364 3.333,365 2.379,366 3.061,367 0.86,368 6.737,369 2.259,370 3.628,371 2.614,372 5.226,373 3.221,374 2.253,375 2.965,377 6.516,378 2.169,379 3.418,380 2.449,381 5.063,382 3.034,383 2.042,384 2.664,386 5.809,387 2.015,388 2.964,389 1.987,390 4.206,391 2.525,392 1.543,393 2.132,395 3.838,396 1.509,397 2.886,398 1.982,399 4.177,400 2.464,401 1.531,402 2.023,404 3.767,405 1.42,406 2.775,407 1.623,408 3.856,409 2.28,410 1.298,411 1.792,413 2.995,414 1.271,415 2.712,416 1.538,417 3.597,418 2.204,419 1.199,420 1.714,422 2.863,423 1.194,424 2.5,425 1.312,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.498,434 1.066,435 3.294,436 1.877,437 0.875,438 1.346,440 1.992,441 0.868,442 1.732,443 1,444 2.872,445 1.423,446 0.534,447 0.62,449 0.916,450 0.469,451 1.647,452 0.941,453 2.843,454 1.356,455 0.484,456 0.543,458 0.747,459 0.417,460 1.315,461 0.608,462 2.648,463 1.039,464 0.081,465 0.094,467 0.164,468 0.076,469 14.367,470 0.463,471 0.66,472 0.021,473 43.75,474 1.411,475 24.5,476 0.79,477 19.25,478 0.621,479 20.926,480 0.675,481 33.033,482 0.635,483 36.739,484 1.185,485 9.408,486 0.303,487 5.604,488 0.181,489 0.139,491 0.313,496 0.818,497 1.093,498 0.743,499 1.015,500 0.702,501 0.886,502 0.975,503 1.033,504 0.842,505 0.929,506 0.688,507 0.87,508 0.97,509 1.295,510 0.949,511 1.162,512 0.934,513 1.073,514 1.165,515 1.268,516 1.11,517 1.158,518 1.188,519 1.122,520 1.22,521 0.922,522 1.065,523 0.844,524 1.47,525 0.891,526 0.632,527 0.9,528 0.825,529 0.866,530 0.901,531 0.885,532 0.94,533 0.997,534 0.961,535 0.951,536 1.108,537 0.953,538 1.085,539 1.04,540 1.093,541 1.001,542 1.304,543 1.026,544 6,545 0.21,546 3.778,547 1.938,548 1.498,549 1.083,550 0.528,551 0.417,552 0.295,553 0.244,554 13635,555 43359,556 2.012,557 40.4,559 17,561 1,562 3,567 1.735,568 1.879,569 3.725,570 0.876,571 1,572 1,575 83.778,576 1.611,577 3.468,578 4.271,579 5.003,580 5.248,581 5.364,582 3.248,583 4.761,584 4.924,585 3.914,586 1819.89,587 8.59,588 27300.5,590 1,592 1,593 296.423,594 1.418,595 4.881,596 0.182,597 0.007,598 0.086,599 0.041,600 0.037,601 0.029,602 0.014,603 0.012,604 0.009,605 0.008,606 0.424,607 0.33,608 1,609 0.839,610 164.372,611 -0.061,612 0.041,613 0.018,614 0.003,615 -0.101,616 0.025,617 -0.051,618 0.032,619 0.019,620 0.072,621 -0.009,622 0.06,623 -0.009,624 -0.248,625 -0.061,626 -0.176,627 0.013,628 -0.143,629 -0.134,630 -0.225,631 -0.149,632 -0.216,633 -0.089,634 -0.194,635 -0.162,636 0.092,637 -0.037,638 0.086,639 -0.179,640 0.064,641 0.274,642 0.106,643 0.159,644 0.103,645 0.226,646 0.1,647 -0.046,648 0.035,649 -0.023,650 0.024,651 -0.046,652 0.01,653 -0.106,654 -0.004,655 -0.145,656 -0.04,657 -0.13,658 -0.082,659 2.16,660 5.577,661 0.581,662 34.941,663 1.017,664 1.121,665 2.151,666 4.627,667 0.676,668 3.526,669 3.807,670 4.043,671 4.205,672 4.382,673 4.357,674 4.344,675 4.317,676 4.431,677 4.533,678 7.976,679 0.661,680 419.47,681 3.526,682 5.043,683 5.872,684 6.72,685 7.563,686 8.414,687 9.26,688 10.112,689 10.96,690 11.813,691 5.8,698 2,700 1,709 11,714 7,716 18,723 1,734 1,735 2,738 52,739 21,740 3,741 33,743 54,744 23,745 18,746 7,747 11,748 3,752 3,753 3,755 1,768 21,769 2,772 3,778 2,780 1,781 1,782 2,786 1,789 21,790 8,791 3,792 8,797 3,803 1,804 5,823 3,855 3,859 2,862 31,868 1,871 2,872 2,886 9.6,888 1,889 2,891 2,893 16.5,894 9.817,895 7.111,896 2.688,898 3.917,899 1.533,900 0.942,901 7.515,902 11.268,903 3.829,904 4.388,905 4.936,906 5.428,907 5.919,908 6.021,909 6.197,910 6.31,911 6.668,912 7.05,913 1,914 47,915 11.408,917 4.751,918 8.016,919 20.946,921 16.154,924 2.516,925 78,928 1,929 211.88,930 167.262,931 52.562,933 114.973,936 167.262,937 326.853,938 52.562,939 21.766,940 35.899,941 104.239,942 123.201,943 61.463,945 200.109,947 211.88,948 219.824,949 114.973,952 211.88,953 114.973,956 52.562,957 158.214,958 9.047,960 211.88,961 167.535,962 167.262,965 211.88,966 32.21,967 135.052,968 35.899,969 131.636,970 211.88,971 167.535,972 167.262,973 0.57,974 0.342,975 0.174,976 0.091,977 18,978 9,979 0.13,980 7,982 1,983 4.264,984 259.106,986 18,987 149.58,993 22.185,994 10.501,995 5.768,997 167.535,998 17.902,1003 2.589,1005 78.582,1006 546.677,1007 45,1013 25.107,1015 1.415,1016 3.932,1017 -0.852,1020 52.894,1021 58.279,1022 0.283,1023 0.608,1024 0.749,1025 0.878,1026 0.921,1027 0.941,1028 5.034,1029 1.531,1030 5.838,1031 3.838,1032 4.489,1033 5.075,1034 2.094,1035 6.6,1036 4.437,1037 6.232,1038 1.298,1039 7.375,1040 3.767,1041 4.007,1042 4.783,1044 7.434,1045 3.947,1046 7.524,1047 1.199,1048 9.01,1049 2.995,1050 6.043,1051 7.225,1052 2.02,1053 10.477,1054 5.953,1055 8.852,1056 1,1057 10.704,1058 2.863,1059 6.382,1060 7.732,1062 12.121,1063 6.281,1064 10.208,1065 0.875,1066 12.434,1067 2.275,1068 7.862,1069 9.635,1070 1.974,1071 14.671,1072 7.744,1073 11.585,1074 0.534,1075 14.188,1076 1.992,1077 8.579,1078 10.522,1080 16.652,1081 8.449,1082 12.977,1083 0.484,1084 15.96,1085 0.916,1086 9.828,1087 12.179,1088 1.952,1089 19.027,1090 9.686,1091 3.018,1092 0.081,1093 17.745,1094 0.747,1095 10.729,1096 13.268,1098 21.163,1099 10.575,1100 2.866,1101 10.006,1102 19.541,1103 0.164,1104 11.877,1105 14.797,1106 1.952,1107 23.472,1108 11.713,1109 2.782,1110 8.757,1111 21.344,1112 3.959,1113 12.867,1114 16,1116 25.68,1117 12.692,1118 2.379,1119 8.57,1120 23.154,1121 3.906,1122 13.972,1123 17.458,1124 1.97,1125 27.967,1126 13.788,1127 2.253,1128 6.737,1129 24.969,1130 3.749,1131 15.006,1132 18.726,1134 30.212,1135 14.812,1136 2.042,1137 6.516,1138 26.789,1139 3.061,1140 16.094,1141 20.143,1142 2.003,1143 32.494,1144 15.891,1145 1.543,1146 5.809,1147 28.612,1148 2.965,1149 17.15,1150 21.45,1152 34.758,1153 16.938,1154 13354,1155 23958,1156 21.671,1157 35.142,1158 48.316,1159 50.617,1160 50.126,1161 47.664,1162 47.768,1163 64.138,1164 7.516,1165 131.902,1166 46.394,1167 5.216,1168 5.621,1169 6.146,1170 5.037,1171 5.018,1172 6.959,1173 2.117,1174 16.769,1175 4.994,1176 16.932,1177 1.464,1178 1.534,1179 1.519,1180 1.444,1181 1.448,1182 1.944,1183 0.228,1184 3.997,1185 1.406,1186 3.995,1187 4.02,1188 3.949,1189 3.904,1190 7.432,1191 3.91,1192 3.917,1193 3.935,1194 3.871,1195 3.837,1196 7.427,1197 3.841,1198 3.876,1199 3.896,1200 3.823,1201 3.809,1202 6.47,1203 3.808,1204 3.456,1205 3.516,1206 3.4,1207 3.181,1208 4.868,1209 3.227,1210 3.374,1211 3.405,1212 3.306,1213 3.128,1214 4.836,1215 3.167,1216 3.252,1217 3.311,1218 3.12,1219 2.999,1220 4.718,1221 3.02,1222 3.153,1223 3.229,1224 2.988,1225 2.91,1226 4.616,1227 2.916,1228 3.105,1229 3.134,1230 2.962,1231 2.877,1232 4.343,1233 2.882,1234 0.132,1235 0.11,1236 0.196,1237 0.122,1238 0.091,1239 4.361,1240 0.12,1241 3.621,1242 0.032,1243 6.464,1244 0.303,1245 4.011,1246 0.091,1247 3.018,1248 3.959,1249 1.058,1250 10.006,1251 2.994,1252 1.932,1253 1.91,1254 2.024,1255 2.043,1256 1.11,1257 2.036,1258 1.889,1259 1.872,1260 1.98,1261 1.996,1262 1.07,1263 1.99,1264 1.865,1265 1.846,1266 1.969,1267 1.956,1268 1.057,1269 1.96,1270 1.318,1271 1.265,1272 1.578,1273 1.633,1274 0.578,1275 1.591,1276 1.263,1277 1.227,1278 1.575,1279 1.56,1280 0.576,1281 1.554,1282 1.189,1283 1.124,1284 1.429,1285 1.499,1286 0.351,1287 1.507,1288 1.102,1289 1.027,1290 1.311,1291 1.391,1292 0.306,1293 1.381,1294 1.035,1295 0.999,1296 1.208,1297 1.258,1298 0.24,1299 1.234,1300 4.205,1302 5.493,1304 6.98,1306 8.552,1308 10.167,1310 2.986,1314 9.628,1317 5.165,1318 10.127,1326 34.379,1327 83.778,1328 180.33,1329 222.104,1330 260.158,1331 272.913,1332 278.913,1333 72.311,1334 7.351,1335 109.25,1336 109.25,1337 18,1338 12.37,1339 4.459,1340 3.7,1341 58.398,1342 145,1343 157,1344 0.188,1345 214.449,1346 381.95,1347 515.017,1348 17511,1350 22.217,1351 0.717,1352 0.547,1353 22.217,1354 16.956,1355 15.012,1356 0.455,1357 0.281,1358 9.089,1359 14.301,1360 8.844,1361 7.419,1362 15.012,1363 9.264,1364 12.843,1365 0.292,1366 0.145,1367 12.843,1368 6.359,1369 10.914,1370 0.195,1371 0.078,1372 10.914,1373 4.356,1374 8.4,1375 0.127,1376 0.041,1377 8.4,1378 2.727,1379 6.457,1380 0.082,1381 0.022,1382 6.457,1383 1.732,1384 0.303,1385 95.395,1386 0.215,1387 29.708,1388 0.493,1389 154,1390 543.403,1391 171.452,1392 515.853,1393 686.85,1394 480,1395 177,1396 487.747,1397 194.372,1398 495.247,1399 710.51,1400 461,1401 6.796}
{0 CHEMBL1974501,1 1.495,2 12.25,3 5.882,4 34.601,5 124.359,6 7.737,7 0.657,8 4.101,9 4.203,10 3.708,11 3.674,12 5.271,13 3.662,14 4.584,15 4.737,16 4.05,17 4.014,18 5.755,19 3.991,20 4.746,21 4.911,22 4.072,23 4.098,24 5.897,25 4.052,26 4.853,27 5.06,28 3.981,29 4.024,30 5.992,31 3.966,32 4.72,33 4.928,34 3.941,35 3.925,36 5.85,37 3.888,38 4.589,39 4.756,40 3.974,41 3.863,42 5.803,43 3.867,44 4.601,45 4.745,46 3.949,47 3.882,48 5.847,49 3.895,50 4.568,51 4.717,52 3.926,53 3.96,54 5.775,55 3.929,56 0.009,57 0.74,58 10.02,59 4.912,60 6.824,61 6.016,62 0.373,63 1.181,64 18.918,65 7.599,66 28.541,67 9.726,68 0.171,69 1.367,70 22.379,71 9.404,72 27.587,73 11.961,74 0.522,75 1.43,76 28.702,77 10.321,78 60.476,79 13.151,80 0.323,81 1.251,82 25.054,83 9.29,84 45.735,85 11.826,86 0.264,87 1.125,88 20.531,89 7.466,90 38.325,91 9.008,92 0.419,93 1.155,94 20.666,95 6.612,96 48.374,97 7.042,98 0.246,99 1.134,100 18.871,101 7.574,102 34.129,103 9.034,104 18,105 48,106 0.243,107 0.543,108 0.675,109 0.782,110 0.802,111 0.802,112 3.502,113 0.871,114 -5.46,115 -5.33,116 -4.98,120 47.3,121 1,125 2,143 13,144 3,145 2,147 1,154 1,156 1,159 1,162 1,174 15,176 3,177 8,185 16,188 2,189 12,197 10,200 3,201 10,209 1,213 2,214 12,226 1,227 18,235 1,240 14,247 6,251 1,252 9,260 16,263 2,264 5,271 24,274 2110,275 21.585,276 21.585,277 21.585,278 21.585,279 21.585,280 18.63,281 21.214,282 12.798,283 21.897,284 17.27,285 17.27,286 17.27,287 17.27,288 17.27,289 12.789,290 27.146,291 6.11,292 17.768,293 4.287,294 2.435,295 1.62,296 0.964,297 0.841,298 0.841,299 4.197,307 1,308 840,309 3.606,312 98.801,313 347.848,320 1.766,321 25.967,324 0.75,325 1,326 1,327 0.6,329 1,330 1,331 0.76,332 68.5,333 392,334 4.441,335 3.693,336 6.388,337 4.033,338 3.072,339 4.137,340 1.674,341 9.941,342 2.951,343 4.173,344 3.109,345 6.051,346 3.796,347 2.802,348 3.754,349 0.8,350 8.693,351 2.78,352 4.12,353 2.99,354 5.93,355 3.743,356 2.784,357 3.708,358 0.6,359 8.231,360 2.671,361 3.924,362 2.684,363 5.859,364 3.529,365 2.55,366 3.451,368 8.068,369 2.488,370 3.673,371 2.602,372 5.296,373 3.305,374 2.35,375 3.008,377 6.78,378 2.259,379 3.623,380 2.537,381 5.023,382 3.246,383 2.251,384 2.955,386 6.02,387 2.214,388 3.178,389 1.907,390 4.489,391 2.716,392 1.73,393 2.452,395 4.502,396 1.705,397 2.953,398 1.821,399 4.391,400 2.516,401 1.577,402 2.05,404 4.281,405 1.468,406 2.728,407 1.764,408 3.938,409 2.247,410 1.289,411 1.735,413 3.074,414 1.228,415 2.511,416 1.459,417 3.791,418 2.14,419 1.153,420 1.5,422 2.926,423 1.13,424 2.5,425 1.144,426 3.487,427 2,428 1.011,429 1.5,431 2.55,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.414,445 2,446 1,447 1.485,449 2.275,450 1,451 2.476,452 1,453 3.247,454 1.991,455 1,456 1.464,458 2.136,459 0.983,460 2.173,461 0.875,462 3.152,463 1.475,464 0.539,465 0.844,467 1.329,468 0.504,469 15.2,470 0.475,471 0.767,472 0.024,473 47,474 1.469,475 26.5,476 0.828,477 20.5,478 0.641,479 22.533,480 0.704,481 32.8,482 0.596,483 37.293,484 1.165,485 9.646,486 0.301,487 5.845,488 0.183,489 0.121,491 0.322,496 0.776,497 1.27,498 0.732,499 1.078,500 0.665,501 0.929,502 0.726,503 0.976,504 0.77,505 0.858,506 0.548,507 0.814,508 0.912,509 1.225,510 0.963,511 1.212,512 0.755,513 1.113,514 1.295,515 0.997,516 1.013,517 0.972,518 1.232,519 0.955,520 1.282,521 0.928,522 0.809,523 0.88,524 1.275,525 0.796,526 1.579,527 1.107,528 0.843,529 0.909,530 1.109,531 0.788,532 2.455,533 0.909,534 1.281,535 0.75,536 1.995,537 0.806,538 1.428,539 0.975,540 1.071,541 0.953,542 1.539,543 0.954,544 6.5,545 0.192,546 3.778,547 1.604,548 1.531,549 1.233,550 0.482,551 0.517,552 0.418,553 0.242,554 14568,555 36746,556 2.082,557 41.8,558 3,559 19,561 1,567 1.749,568 1.959,569 3.558,570 -0.805,575 82.212,576 1.495,577 3.346,578 4.161,579 4.817,580 4.94,581 4.94,582 3.022,583 4.563,584 4.966,585 3.76,586 1865.08,587 8.716,588 28160.9,593 317.975,594 1.366,595 4.936,596 0.186,597 0.005,598 0.079,599 0.034,600 0.037,601 0.03,602 0.011,603 0.012,604 0.01,605 0.006,606 0.41,607 0.17,608 0.88,609 0.688,610 169.105,611 -0.006,612 -0.203,613 0.063,614 -0.1,615 -0.081,616 -0.025,617 0.279,618 0.098,619 0.132,620 0.095,621 0.182,622 0.098,623 0.056,624 -0.196,625 -0.049,626 -0.248,627 0.076,628 -0.179,629 0.07,630 -0.02,631 0.024,632 -0.009,633 0.035,634 -0.001,635 0.031,636 0.034,637 0.226,638 0.095,639 0.065,640 0.172,641 -0.064,642 -0.084,643 0.157,644 0.033,645 0.118,646 0.112,647 -0.506,648 0.192,649 -0.27,650 0.141,651 -0.344,652 0.008,653 -0.198,654 0.069,655 -0.149,656 0.002,657 -0.132,658 -0.054,659 2.189,660 5.64,661 0.719,662 35.941,663 1.002,664 1.114,665 4.226,666 17.856,667 0.691,668 3.584,669 3.892,670 4.127,671 4.331,672 4.554,673 4.625,674 4.7,675 4.812,676 4.984,677 5.081,678 7.451,679 0.663,680 425.52,681 3.584,682 5.118,683 5.953,684 6.812,685 7.665,686 8.529,687 9.389,688 10.257,689 11.121,690 11.992,691 5.5,697 1,700 1,701 1,709 13,710 1,712 1,714 8,716 23,719 1,726 1,732 1,738 55,739 25,740 3,741 35,743 58,744 26,745 21,746 5,747 13,748 2,752 4,753 4,759 1,768 23,769 3,772 2,778 1,780 1,781 1,782 1,789 23,790 6,792 6,797 3,803 1,804 3,808 1,822 1,823 3,855 4,859 3,862 32,872 1,875 1,886 5.5,889 1,891 2,893 16.333,894 11.017,895 7.028,896 3.118,898 3.762,899 1.493,900 0.986,901 6.482,902 11.392,903 3.902,904 4.497,905 5.076,906 5.622,907 6.133,908 6.388,909 6.751,910 7.121,911 7.6,912 7.993,913 1,914 47,915 11.786,917 4.912,918 7.719,919 22.301,921 17.619,924 2.219,925 71,929 270.735,930 195.402,931 36.695,933 45.652,936 195.402,937 316.388,938 36.695,939 25.618,941 123.191,942 74.96,943 65.751,945 258.964,947 270.735,948 232.097,949 45.652,952 270.735,953 45.652,956 40.894,957 165.37,958 25.833,960 270.735,961 82.348,962 195.402,965 270.735,966 37.545,967 160.981,969 79.223,970 270.735,971 82.348,972 195.402,973 0.581,974 0.331,975 0.166,976 0.093,977 22,978 10,979 0.121,980 7,982 1,983 4.378,984 284.66,986 23,987 146,993 21.54,994 9.63,995 5.335,997 82.348,998 24.323,999 4.501,1001 5.804,1003 4.761,1006 548.484,1007 48.5,1013 12.64,1015 1.54,1016 4.479,1017 -0.522,1020 55.123,1021 61.275,1022 0.259,1023 0.579,1024 0.72,1025 0.833,1026 0.855,1027 0.855,1028 5.116,1029 1.577,1030 5.927,1031 4.502,1032 4.575,1033 5.185,1034 2.115,1035 6.693,1036 4.519,1037 6.324,1038 1.289,1039 7.462,1040 4.281,1041 4.111,1042 4.844,1043 0.325,1044 7.499,1045 4.017,1046 7.615,1047 1.153,1048 9.094,1049 3.074,1050 6.133,1051 7.349,1052 2.859,1053 10.548,1054 6.019,1055 8.941,1056 1.011,1057 10.781,1058 2.926,1059 6.479,1060 7.824,1061 0.268,1062 12.169,1063 6.321,1064 10.297,1065 1,1066 12.504,1067 2.55,1068 7.96,1069 9.767,1070 3.816,1071 14.71,1072 7.785,1073 11.674,1074 1,1075 14.25,1076 2.275,1077 8.675,1078 10.639,1079 0.188,1080 16.671,1081 8.455,1082 13.066,1083 1,1084 16.013,1085 2.275,1086 9.928,1087 12.318,1088 4.826,1089 19.031,1090 9.688,1091 3.072,1092 0.539,1093 17.788,1094 2.136,1095 10.825,1096 13.408,1097 0.125,1098 21.148,1099 10.541,1100 2.802,1101 9.941,1102 19.573,1103 1.329,1104 11.978,1105 14.95,1106 5.851,1107 23.441,1108 11.669,1109 2.784,1110 8.693,1111 21.364,1112 4.137,1113 12.969,1114 16.165,1115 0.082,1116 25.634,1117 12.616,1118 2.55,1119 8.231,1120 23.161,1121 3.754,1122 14.08,1123 17.635,1124 6.88,1125 27.907,1126 13.698,1127 2.35,1128 8.068,1129 24.963,1130 3.708,1131 15.118,1132 18.924,1133 0.054,1134 30.139,1135 14.694,1136 2.251,1137 6.78,1138 26.769,1139 3.451,1140 16.214,1141 20.357,1142 7.91,1143 32.408,1144 15.757,1145 1.73,1146 6.02,1147 28.578,1148 3.008,1149 17.279,1150 21.691,1151 0.035,1152 34.662,1153 16.781,1154 13928,1155 22371,1156 23.463,1157 37.995,1158 53.375,1159 53.605,1160 53.454,1161 52.245,1162 52.217,1163 71.087,1164 6.149,1165 146.16,1166 50.763,1167 5.28,1168 5.693,1169 6.19,1170 5.118,1171 5.072,1172 7.137,1173 3.349,1174 16.576,1175 4.951,1176 15.576,1177 1.525,1178 1.532,1179 1.527,1180 1.493,1181 1.492,1182 2.031,1183 0.176,1184 4.176,1185 1.45,1186 4.028,1187 4.047,1188 3.996,1189 3.915,1190 7.433,1191 3.925,1192 3.919,1193 3.947,1194 3.861,1195 3.855,1196 5.196,1197 3.853,1198 3.91,1199 3.94,1200 3.854,1201 3.832,1202 4.832,1203 3.832,1204 3.726,1205 3.75,1206 3.674,1207 3.556,1208 4.717,1209 3.59,1210 3.455,1211 3.54,1212 3.326,1213 3.221,1214 4.699,1215 3.233,1216 3.329,1217 3.355,1218 3.256,1219 3.148,1220 4.417,1221 3.162,1222 3.097,1223 3.156,1224 2.992,1225 2.907,1226 4.15,1227 2.919,1228 2.953,1229 3.009,1230 2.783,1231 2.735,1232 4.089,1233 2.724,1234 0.127,1235 0.106,1236 0.183,1237 0.115,1238 0.088,1239 4.441,1240 0.118,1241 3.693,1242 0.048,1243 6.388,1244 0.284,1245 4.033,1246 0.084,1247 3.072,1248 4.137,1249 1.674,1250 9.941,1251 2.951,1252 1.923,1253 1.901,1254 2.039,1255 2.02,1256 1.136,1257 2.022,1258 1.907,1259 1.876,1260 2.016,1261 2.007,1262 1.104,1263 2.016,1264 1.895,1265 1.869,1266 2.011,1267 1.981,1268 1.078,1269 1.992,1270 1.508,1271 1.474,1272 1.725,1273 1.735,1274 0.78,1275 1.727,1276 1.384,1277 1.314,1278 1.569,1279 1.627,1280 0.628,1281 1.605,1282 1.275,1283 1.229,1284 1.512,1285 1.491,1286 0.556,1287 1.492,1288 1.156,1289 1.139,1290 1.417,1291 1.413,1292 0.469,1293 1.374,1294 0.934,1295 0.843,1296 1.26,1297 1.239,1298 0.295,1299 1.308,1300 4.263,1302 5.572,1303 2.398,1304 7.064,1305 4.727,1306 8.63,1307 6.823,1308 10.235,1310 5.915,1318 5.547,1321 2.014,1326 36.477,1327 82.212,1328 184.037,1329 228.85,1330 264.955,1331 271.71,1332 271.71,1333 50.692,1334 7.63,1335 67.93,1336 67.93,1337 23,1338 12.536,1339 4.7,1340 3.858,1341 51.612,1342 136,1343 152,1344 0.174,1345 224.913,1346 390.37,1347 540.548,1348 21248,1350 22.501,1351 0.703,1352 0.567,1353 22.501,1354 18.149,1355 15.491,1356 0.443,1357 0.29,1358 10.022,1359 14.957,1360 9.666,1361 8.143,1362 15.491,1363 10.16,1364 13.985,1365 0.291,1366 0.156,1367 13.985,1368 7.482,1369 11.514,1370 0.189,1371 0.079,1372 11.514,1373 4.816,1374 9.01,1375 0.12,1376 0.04,1377 9.01,1378 2.982,1379 7.235,1380 0.077,1381 0.021,1382 7.235,1383 1.951,1384 0.274,1385 96.764,1386 0.206,1387 30.11,1388 0.475,1389 166,1390 502.142,1391 182.594,1392 486.598,1393 672.5,1394 456,1395 192,1396 506.576,1397 209.43,1398 515.003,1399 749.26,1400 481,1401 5.162}
{0 CHEMBL1975721,1 1.719,2 9.04,3 2.108,4 4.442,5 91.858,6 7.716,7 0.24,8 3.932,9 4.043,10 3.674,11 3.439,12 5.1,13 3.377,14 4.471,15 4.633,16 3.976,17 3.742,18 5.82,19 3.671,20 4.664,21 4.83,22 4.145,23 3.89,24 5.943,25 3.788,26 4.754,27 4.919,28 4.152,29 3.893,30 6.329,31 3.811,32 4.805,33 4.955,34 3.935,35 3.767,36 6.133,37 3.784,38 4.701,39 4.868,40 3.995,41 3.827,42 6.269,43 3.796,44 4.873,45 5.087,46 3.748,47 3.905,48 6.077,49 3.766,50 4.823,51 5.115,52 3.73,53 3.79,54 5.937,55 3.645,56 0.227,57 0.644,58 13.107,59 5.299,60 23.43,61 5.739,62 0.699,63 0.917,64 21.712,65 7.89,66 71.812,67 9.228,68 0.87,69 1.068,70 31.308,71 10.082,72 90.152,73 10.259,74 1.375,75 1.108,76 40.318,77 12.042,78 148.379,79 11.35,80 1.215,81 1.059,82 31.447,83 7.488,84 156.333,85 8.469,86 0.934,87 1.139,88 25.242,89 7.335,90 140.727,91 9.527,92 0.98,93 1.194,94 34.467,95 10.207,96 136.088,97 12.19,98 0.673,99 1.071,100 37.858,101 11.234,102 88.949,103 14.026,104 100,105 35,106 0.297,107 0.6,108 0.7,109 0.729,110 0.736,111 0.736,112 3.267,113 1.108,114 -2.97,115 -2.98,116 -2.87,120 33.3,121 5,128 2,143 4,144 2,159 3,164 1,165 1,166 1,167 1,174 7,176 4,177 6,179 1,180 1,185 10,188 5,189 5,191 1,192 1,197 5,200 7,201 16,203 4,204 4,209 1,214 9,226 4,227 13,229 1,230 1,232 5,235 4,237 5,240 8,245 2,249 2,252 16,257 3,260 4,262 3,264 4,269 1,271 8,273 1,274 969,275 15.474,276 15.474,277 15.474,278 15.474,279 15.474,280 14.052,281 16.063,282 9.091,283 15.723,284 12.282,285 12.282,286 12.282,287 12.282,288 12.282,289 10.056,290 13.537,291 4.21,292 12.604,293 3.866,294 2.114,295 1.537,296 1.37,297 1.329,298 1.329,299 3.898,305 1,306 1,307 1,308 438,309 5.099,313 103.573,320 1.168,321 44.217,323 1,324 1,325 1,326 0.83,327 1,328 1,329 1,330 1,331 0.98,332 56.667,333 226,334 4.758,335 4.187,336 7.557,337 4.472,338 3.486,339 4.188,340 2.612,341 13.592,342 3.435,343 4.309,344 3.697,345 6.385,346 3.948,347 2.95,348 3.915,349 0.98,350 9.62,351 2.937,352 3.696,353 3.268,354 5.603,355 3.336,356 2.352,357 2.923,358 0.933,359 6.922,360 2.304,361 3.407,362 3.216,363 4.897,364 3.044,365 2.115,366 2.639,368 5.312,369 1.983,370 3.115,371 2.62,372 4.732,373 3.009,374 2.018,375 2.115,377 5.138,378 1.952,379 2.977,380 2.489,381 4.435,382 2.814,383 1.841,384 2.018,386 4.382,387 1.772,388 2.862,389 2.242,390 3.911,391 2.414,392 1.414,393 1.976,395 3.188,396 1.414,397 2.735,398 1.511,399 3.681,400 2.247,401 1.263,402 1.71,404 2.914,405 1.236,406 2.507,407 1.315,408 3.564,409 1.896,410 0.887,411 1.34,413 2.169,414 0.884,415 1.331,416 1.306,417 3.045,418 1.067,419 0.058,420 0.067,422 0.141,423 0.058,424 1.092,425 0.31,426 3,427 0.735,428 -0.254,429 -0.254,431 -0.628,432 -0.239,433 0.865,434 0.108,435 2.407,436 0.698,437 -0.292,438 -0.37,440 -0.729,441 -0.298,442 0.746,443 -0.034,444 2.237,445 0.358,446 -0.595,447 -0.746,449 -1.661,450 -0.56,451 0.631,452 -0.035,453 2,454 0.165,455 -0.849,456 -1,458 -2,459 -0.856,460 0.485,461 -0.308,462 1.835,463 0.047,464 -1,465 -1,467 -2,468 -1,469 11.8,470 0.472,471 0.936,472 0.037,473 27.25,474 1.09,475 12,476 0.48,477 15.25,478 0.61,479 24.619,480 0.985,481 29.6,482 0.617,483 24.109,484 0.964,485 5.407,486 0.216,487 6.157,488 0.246,489 0.331,490 0.085,491 0.297,496 0.83,497 1.416,498 0.83,499 1.578,500 0.742,501 1.139,502 0.66,503 1.142,504 0.669,505 0.995,506 0.501,507 0.89,508 1.275,509 1.07,510 1.113,511 1.346,512 0.976,513 0.963,514 0.839,515 1.211,516 1.613,517 2.02,518 0.864,519 1.001,520 2.321,521 0.957,522 1.236,523 0.633,524 2.177,525 0.873,526 1.045,527 1.179,528 0.969,529 0.855,530 0.957,531 1.095,532 1.444,533 0.926,534 1.235,535 0.865,536 1.575,537 1.123,538 0.695,539 0.836,540 0.759,541 0.956,542 0.764,543 0.676,544 7.5,545 0.074,546 3.778,547 3,548 1.262,549 1.375,550 0.469,551 0.535,552 0.243,553 0.258,554 5515,555 17798,556 1.795,557 47.9,558 3,559 6,562 2,564 12,567 1.687,568 1.604,569 3.09,570 0.391,571 1,572 1,575 82.527,576 1.719,577 3.471,578 4.048,579 4.215,580 4.256,581 4.256,582 2.449,583 3.939,584 4.618,585 3.319,586 995.715,587 8.021,588 12208.6,590 1,592 1,593 268.078,594 1.757,595 4.498,596 0.3,597 0.005,598 0.108,599 0.081,600 0.03,601 0.04,602 0.013,603 0.021,604 0.008,605 0.014,606 0.621,607 0.33,608 1,609 2.304,610 119.594,611 -0.092,612 -0.071,613 0.217,614 -0.157,615 -0.151,616 -0.024,617 0.336,618 -0.06,619 0.307,620 0.091,621 0.258,622 0.13,623 -0.053,624 0.021,625 0.126,626 0.022,627 -0.045,628 0.028,629 0.511,630 -0.116,631 -0.092,632 -0.306,633 0.407,635 -0.626,636 -0.016,637 -0.303,638 0.11,639 -0.532,640 -0.052,641 0.048,642 -0.029,643 -0.131,644 -0.073,645 0.235,646 -0.2,647 -0.331,648 0.047,649 -0.288,650 0.016,651 -0.349,652 -0.197,653 0.088,654 0.01,655 0.288,656 0.056,657 0.142,658 0.341,659 4.965,660 5.924,661 0.24,662 19.229,663 1.018,664 1.136,665 1.745,666 3.044,667 0.642,668 3.258,669 3.584,670 3.714,671 3.932,672 3.85,673 3.829,674 3.526,675 3.638,676 3.466,677 3.466,678 5.721,679 0.605,680 370.38,681 3.258,682 4.796,683 5.602,684 6.488,685 7.318,686 8.21,687 9.048,688 9.943,689 10.784,690 11.681,691 4.2,698 1,700 1,709 4,714 2,716 6,738 48,739 10,740 1,741 25,743 48,744 16,745 6,746 2,747 4,748 3,752 1,753 1,759 5,766 2,768 9,769 7,772 4,778 3,781 1,782 3,784 1,785 1,786 1,789 23,790 8,791 2,792 9,793 1,797 2,803 1,804 6,811 1,812 1,823 1,837 1,855 1,859 5,862 25,863 1,872 3,874 2,886 12.5,889 3,890 2,891 1,893 15.583,894 9.983,895 5.583,896 2.824,897 1,898 1.627,899 1.266,900 0.896,901 7.813,902 7.745,903 3.497,904 4.016,905 4.416,906 4.827,907 5.018,908 5.091,909 5.099,910 5.329,911 5.403,912 5.683,913 0.833,914 37,915 9.627,917 4.306,918 8.232,919 16.898,921 12.936,924 2.732,925 68.306,929 261.861,930 100.298,931 52.297,933 95.615,935 14.668,936 100.298,937 342.808,938 52.297,939 44.126,940 32.897,941 52.573,942 96.292,943 36.99,945 247.193,947 247.193,948 152.595,949 95.615,950 14.668,952 105.94,953 223.025,954 13.843,956 96.423,957 56.172,958 14.668,960 247.193,961 147.912,962 100.298,963 14.668,964 14.668,965 247.193,966 18.267,967 82.031,969 147.912,970 247.193,971 147.912,972 114.966,973 0.584,974 0.315,975 0.178,976 0.08,977 13,978 9,979 0.188,980 9,982 1,983 3.36,984 189.398,986 6,987 102.096,993 21.368,994 9.142,995 6.279,997 147.912,998 6.651,1003 0.905,1005 32.897,1006 510.072,1007 32,1013 36.728,1016 3.398,1017 -2.753,1019 -4.159,1020 48.862,1021 54.544,1022 0.308,1023 0.621,1024 0.725,1025 0.755,1026 0.762,1027 0.762,1028 4.749,1029 1.263,1030 5.659,1031 3.188,1032 4.263,1033 4.7,1034 2.908,1035 6.529,1036 4.218,1037 5.987,1038 0.887,1039 7.276,1040 2.914,1041 4.205,1042 4.771,1044 7.888,1045 4.163,1046 7.328,1047 0.058,1048 9.015,1049 2.169,1050 5.958,1051 6.848,1052 4.58,1053 10.942,1054 5.881,1055 8.708,1056 -0.254,1057 10.831,1058 0.141,1059 6.661,1060 7.675,1062 13.143,1063 6.593,1064 10.125,1065 -0.292,1066 12.7,1067 -0.628,1068 8.034,1069 9.354,1070 6.461,1071 15.854,1072 7.939,1073 11.57,1074 -0.595,1075 14.606,1076 -0.729,1077 9.054,1078 10.502,1080 18.331,1081 8.961,1082 13.037,1083 -0.849,1084 16.539,1085 -1.661,1086 10.315,1087 12.033,1088 8.376,1089 20.959,1090 10.203,1091 3.486,1092 -1,1093 18.492,1094 -2,1095 11.464,1096 13.321,1098 23.523,1099 11.344,1100 2.95,1101 13.592,1102 20.46,1103 -2,1104 12.697,1105 14.789,1106 10.296,1107 26.132,1108 12.561,1109 2.352,1110 9.62,1111 22.44,1112 4.188,1113 13.897,1114 16.142,1116 28.724,1117 13.749,1118 2.115,1119 6.922,1120 24.428,1121 3.915,1122 15.127,1123 17.582,1124 12.217,1125 31.331,1126 14.963,1127 2.018,1128 5.312,1129 26.423,1130 2.923,1131 16.349,1132 18.966,1134 33.934,1135 16.17,1136 1.841,1137 5.138,1138 28.423,1139 2.639,1140 17.582,1141 20.394,1142 14.137,1143 36.541,1144 17.387,1145 1.414,1146 4.382,1147 30.427,1148 2.115,1149 18.814,1150 21.793,1152 39.148,1153 18.604,1154 5946,1155 10893,1156 14.622,1157 30.796,1158 37.796,1159 41.655,1160 40.023,1161 36.816,1162 36.771,1163 45.783,1164 9.051,1165 106.756,1166 35.948,1167 5.619,1168 6.187,1169 7.242,1170 5.501,1171 5.486,1172 7.188,1173 5.225,1174 21.359,1175 5.435,1176 18.576,1177 1.512,1178 1.666,1179 1.601,1180 1.473,1181 1.471,1182 1.831,1183 0.362,1184 4.27,1185 1.438,1186 3.954,1187 3.972,1188 4.474,1189 3.981,1190 7.443,1191 3.879,1192 3.848,1193 3.857,1194 3.883,1195 3.871,1196 7.431,1197 3.713,1198 3.572,1199 3.64,1200 3.445,1201 3.4,1202 7.388,1203 3.386,1204 3.549,1205 3.603,1206 3.39,1207 3.371,1208 4.921,1209 3.355,1210 3.264,1211 3.268,1212 3.275,1213 3.056,1214 4.775,1215 3.063,1216 3.17,1217 3.251,1218 3.214,1219 3.008,1220 4.677,1221 2.982,1222 3.163,1223 3.195,1224 2.959,1225 2.958,1226 4.553,1227 2.915,1228 2.874,1229 3.009,1230 2.636,1231 2.618,1232 4.372,1233 2.57,1234 0.19,1235 0.167,1236 0.302,1237 0.179,1238 0.139,1239 4.758,1240 0.168,1241 4.187,1242 0.104,1243 7.557,1244 0.544,1245 4.472,1246 0.137,1247 3.486,1248 4.188,1249 2.612,1250 13.592,1251 3.435,1252 1.923,1253 1.902,1254 2.038,1255 2.01,1256 1.143,1257 2.018,1258 1.727,1259 1.713,1260 1.891,1261 1.873,1262 1.089,1263 1.919,1264 1.578,1265 1.51,1266 1.876,1267 1.789,1268 1.046,1269 1.821,1270 1.488,1271 1.437,1272 1.553,1273 1.717,1274 0.717,1275 1.704,1276 1.209,1277 1.138,1278 1.504,1279 1.419,1280 0.604,1281 1.469,1282 1.093,1283 1.085,1284 1.417,1285 1.415,1286 0.469,1287 1.35,1288 0.994,1289 0.958,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.804,1296 1.224,1297 1.239,1298 0.236,1299 1.308,1300 3.932,1302 5.252,1304 6.751,1306 8.345,1308 9.99,1310 8.134,1313 5.236,1318 15.246,1320 -1.081,1326 29.05,1327 82.527,1328 166.591,1329 194.304,1330 202.304,1331 204.304,1332 204.304,1333 107.133,1334 6.118,1335 117.28,1336 127.09,1337 6,1338 12.216,1339 3.459,1340 3,1341 71.156,1342 83,1343 81,1344 0.414,1345 190.785,1346 340.83,1347 457.276,1348 2685,1350 19.198,1351 0.768,1352 0.631,1353 19.448,1354 15.78,1355 11.564,1356 0.463,1357 0.369,1358 7.677,1359 10.194,1360 7.177,1361 6.107,1362 12.312,1363 9.229,1364 11.181,1365 0.319,1366 0.218,1367 12.397,1368 7.619,1369 7.291,1370 0.182,1371 0.124,1372 8.852,1373 4.978,1374 6.585,1375 0.132,1376 0.072,1377 8.329,1378 3.616,1379 3.656,1380 0.079,1381 0.038,1382 4.487,1383 1.756,1384 0.634,1385 80.945,1386 0.262,1387 23.966,1388 1.18,1389 120,1390 476.983,1391 179.757,1392 451.548,1393 592.22,1394 414,1395 135,1396 398.412,1397 207.853,1398 424.48,1399 619.87,1400 395,1401 4.75}
{0 CHEMBL1976304,1 1.692,2 8.96,3 2.208,4 4.875,5 93.382,6 8.246,7 0.231,8 3.873,9 3.958,10 3.513,11 3.38,12 5.104,13 3.379,14 4.416,15 4.55,16 3.895,17 3.721,18 5.503,19 3.725,20 4.582,21 4.673,22 4.191,23 3.941,24 5.903,25 3.96,26 4.853,27 4.985,28 4.186,29 4.047,30 6.245,31 4.047,32 4.978,33 5.162,34 3.966,35 4.096,36 6.227,37 4.015,38 4.933,39 5.201,40 3.717,41 4.026,42 6.043,43 3.867,44 4.777,45 5.075,46 3.627,47 3.765,48 5.851,49 3.646,50 4.309,51 4.484,52 3.541,53 3.528,54 5.553,55 3.462,56 0.085,57 0.561,58 7.69,59 4.222,60 15.412,61 4.867,62 0.63,63 0.827,64 18.288,65 6.755,66 51.675,67 7.566,68 0.644,69 1.043,70 20.082,71 7.985,72 58.487,73 9.081,74 0.832,75 1.313,76 27.833,77 9.797,78 113.176,79 11.014,80 1.055,81 1.471,82 32.598,83 11.325,84 107.304,85 13.691,86 0.556,87 1.492,88 34.351,89 11.504,90 102.403,91 16.486,92 0.63,93 1.18,94 33.567,95 9.521,96 102.668,97 13.778,98 0.379,99 0.767,100 17.413,101 5.954,102 45.356,103 7.207,104 86,105 39,106 0.295,107 0.582,108 0.655,109 0.687,110 0.703,111 0.751,112 3.268,113 0.902,114 -2.45,115 -2.48,116 -2.42,120 40.9,123 1,124 1,125 4,132 2,136 2,143 4,144 1,145 1,159 2,174 8,176 2,177 6,185 11,188 4,189 8,197 10,200 5,201 6,209 6,213 4,214 6,222 5,227 8,235 3,240 12,247 1,252 8,260 1,264 2,274 929,275 17.003,276 17.003,277 17.003,278 17.003,279 17.003,280 15.914,281 14.88,282 9.035,283 17.204,284 12.125,285 12.125,286 12.125,287 12.125,288 12.125,289 10.382,290 11.406,291 3.492,292 12.553,293 3.767,294 2.128,295 1.705,296 1.523,297 1.432,298 1.16,299 3.918,303 1,305 1,306 1,307 1,308 449,309 4.301,311 69.958,313 93.362,320 1.094,321 34.618,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 55.333,333 224,334 5.301,335 4.942,336 9.306,337 5.269,338 4.273,339 4.346,340 3.164,341 20.541,342 4.257,343 4.038,344 4.097,345 7.371,346 3.78,347 2.791,348 3.65,349 1.684,350 11.78,351 2.758,352 4.01,353 3.893,354 6.666,355 3.596,356 2.623,357 3.013,358 1.392,359 9.132,360 2.555,361 3.533,362 3.114,363 5.413,364 3.315,365 2.338,366 2.822,367 1.392,368 7.148,369 2.281,370 3.345,371 2.938,372 4.897,373 2.993,374 2.085,375 2.378,376 0.532,377 5.697,378 1.802,379 3.303,380 2.801,381 4.696,382 2.286,383 1.314,384 1.695,385 0.532,386 3.504,387 1.263,388 2.935,389 2.379,390 3.794,391 2,392 1,393 1.5,395 2.275,396 1,397 2.5,398 1.776,399 3.612,400 1.547,401 0.618,402 1.303,404 1.054,405 0.572,406 2.462,407 1.478,408 3.414,409 1.477,410 0.618,411 0.705,413 0.828,414 0.525,415 1.618,416 1.478,417 3.414,418 1.477,419 0.618,420 0.618,422 0.828,423 0.525,424 1.618,425 1,426 3.414,427 1.445,428 0.498,429 0.618,431 0.828,432 0.457,433 1.573,434 0.891,435 3.414,436 1,437 0.133,438 0.147,440 0.174,441 0.112,442 1.15,443 0.689,444 3.275,445 0.878,451 1.07,452 0.455,453 3.126,454 0.651,455 -0.214,456 -0.264,458 -0.391,459 -0.156,460 0.54,461 0.187,462 2.379,463 0.239,464 -0.644,465 -0.818,467 -1.158,468 -0.537,469 11.848,470 0.474,471 0.618,472 0.025,473 29.25,474 1.17,475 13.5,476 0.54,477 15.75,478 0.63,479 22.951,480 0.918,481 27.752,482 0.631,483 25.711,484 1.028,485 6.124,486 0.245,487 5.844,488 0.234,489 0.297,490 0.127,491 0.127,496 0.83,497 1.314,498 0.621,499 1.176,500 0.588,501 1.003,502 1.359,503 0.693,504 0.708,505 0.598,506 0.8,507 0.609,508 0.969,509 1.246,510 0.846,511 1.122,512 0.788,513 0.945,514 1.478,515 1.116,516 0.997,517 1.088,518 0.923,519 1.063,520 1.364,521 1.029,522 0.977,523 0.955,524 1.01,525 1.14,526 0.548,527 1.093,528 0.806,529 1.046,530 1.31,531 1.119,532 0.718,533 0.684,534 0.616,535 0.625,536 1.214,537 0.647,538 1.261,539 1.169,540 1.104,541 1.075,542 1.314,543 1.119,544 7,545 0.058,546 5.667,547 4.813,548 2.44,549 0.931,550 0.569,551 0.313,552 0.316,553 0.249,554 5352,555 19754,556 1.879,557 43.2,559 18,565 1,567 1.689,568 1.695,569 3.011,570 -0.711,571 1,572 1,575 74.446,576 1.692,577 3.332,578 3.754,579 3.936,580 4.027,581 4.3,582 2.402,583 3.604,584 4.612,585 3.22,586 966.102,587 8.023,588 11248.3,590 1,592 1,593 240.215,594 1.757,595 4.503,596 0.269,597 0.007,598 0.153,599 0.098,600 0.051,601 0.025,602 0.02,603 0.012,604 0.014,605 0.017,606 0.666,607 0.33,608 1,609 1.194,610 117.439,611 -0.038,612 -0.176,613 0.032,614 -0.147,615 0.007,616 -0.052,617 -0.05,618 0.296,619 0.12,620 0.383,621 -0.124,622 0.316,623 0.223,624 -0.173,625 0.031,626 -0.118,627 0.08,628 -0.035,629 -0.155,630 -0.079,631 -0.185,632 -0.155,633 0.157,634 -0.184,635 -0.209,636 -0.042,637 -0.247,638 -0.04,639 -0.053,640 -0.222,641 0.008,642 -0.094,643 -0.021,644 -0.117,645 -0.172,646 -0.099,647 0.016,648 0.241,649 0.263,650 0.287,651 -0.046,652 0.381,653 -0.237,654 -0.147,655 -0.175,656 -0.109,657 -0.241,658 -0.175,659 2.942,660 3.767,661 0.4,662 19.766,663 1.018,664 1.125,665 1.217,666 1.481,667 0.671,668 3.296,669 3.689,670 4.159,671 4.431,672 4.489,673 4.29,674 4.143,675 4.143,676 4.29,677 4.344,678 5.281,679 0.647,680 362.84,681 3.296,682 4.875,683 5.814,684 6.781,685 7.753,686 8.737,687 9.723,688 10.716,689 11.711,690 12.71,691 4.5,700 2,709 4,714 2,716 6,737 1,738 44,739 9,740 1,741 26,743 45,744 18,745 6,746 2,747 4,748 2,752 2,753 2,754 1,760 1,762 1,763 2,764 1,766 2,767 2,768 8,769 8,770 1,772 1,780 2,785 1,786 1,789 19,790 6,792 7,793 1,797 2,803 1,804 4,821 1,823 1,833 2,845 2,854 4,855 2,859 4,860 1,862 25,872 4,874 1,876 3,877 2,882 2,884 2,885 1,886 9.1,890 4,893 14.75,894 9.293,895 6.125,896 2.247,898 1.757,899 1.264,900 0.861,901 5.538,902 8.402,903 3.555,904 4.016,905 4.627,906 5.105,907 5.447,908 5.449,909 5.628,910 5.913,911 6.351,912 6.728,913 0.833,914 49,915 9.273,917 4.049,918 8.041,919 16.882,921 13.454,924 2.541,925 63.528,929 223.651,930 140.279,931 62.119,932 39.149,933 44,936 140.279,937 306.799,938 62.119,939 43.532,941 56.857,942 77.203,943 68.805,945 223.651,946 39.149,947 223.651,948 202.398,949 44,950 39.149,952 211.88,953 11.771,954 44,956 62.119,957 121.327,958 58.101,960 223.651,961 106.118,962 179.428,965 223.651,966 6.686,967 100.39,968 33.203,969 145.267,970 223.651,971 106.118,972 179.428,973 0.576,974 0.426,975 0.248,976 0.116,977 18,978 9,979 0.133,980 6,982 1,983 3.299,984 210.808,986 10,987 100.096,993 19.403,994 7.135,995 2.386,997 106.118,998 7.134,1003 1.465,1006 509.197,1007 34,1015 3.464,1020 44.789,1021 49.515,1022 0.31,1023 0.61,1024 0.688,1025 0.721,1026 0.738,1027 0.788,1028 4.879,1029 0.618,1030 5.922,1031 2.275,1032 4.369,1033 4.7,1034 3.571,1035 7.055,1036 4.312,1037 6.145,1038 0.618,1039 7.714,1040 1.054,1041 4.511,1042 4.663,1044 9.059,1045 4.47,1046 7.545,1047 0.618,1048 9.651,1049 0.828,1050 6.382,1051 6.868,1052 5.45,1053 12.364,1054 6.326,1055 9,1056 0.498,1057 11.683,1058 0.828,1059 7.415,1060 7.68,1062 15.132,1063 7.375,1064 10.505,1065 0.133,1066 13.776,1067 0.828,1068 8.916,1069 9.393,1070 7.641,1071 18.209,1072 8.874,1073 12.048,1075 15.909,1076 0.174,1077 10.245,1078 10.554,1080 21.166,1081 10.209,1082 13.622,1083 -0.214,1084 18.069,1086 11.69,1087 12.105,1088 9.917,1089 24.201,1090 11.652,1091 4.273,1092 -0.644,1093 20.247,1094 -0.391,1095 13.106,1096 13.422,1098 27.205,1099 13.068,1100 2.791,1101 20.541,1102 22.438,1103 -1.158,1104 14.549,1105 14.914,1106 12.214,1107 30.231,1108 14.51,1109 2.623,1110 11.78,1111 24.638,1112 4.346,1113 15.99,1114 16.304,1116 33.248,1117 15.948,1118 2.338,1119 9.132,1120 26.846,1121 3.65,1122 17.438,1123 17.776,1124 14.516,1125 36.271,1126 17.393,1127 2.085,1128 7.148,1129 29.059,1130 3.013,1131 18.886,1132 19.201,1134 39.292,1135 18.838,1136 1.314,1137 5.697,1138 31.276,1139 2.822,1140 20.336,1141 20.666,1142 16.819,1143 42.314,1144 20.285,1145 1,1146 3.504,1147 33.496,1148 2.378,1149 21.787,1150 22.11,1152 45.336,1153 21.732,1154 5665,1155 10916,1156 15.772,1157 29.54,1158 41.087,1159 43.779,1160 47.627,1161 37.846,1162 37.818,1163 45.587,1164 17.388,1165 127.579,1166 36.215,1167 6.301,1168 6.942,1169 8.72,1170 6.269,1171 6.273,1172 7.346,1173 6.328,1174 31.646,1175 6.257,1176 16.32,1177 1.58,1178 1.684,1179 1.832,1180 1.456,1181 1.455,1182 1.753,1183 0.669,1184 4.907,1185 1.393,1186 4.036,1187 4.046,1188 4.032,1189 3.942,1190 6.85,1191 3.949,1192 3.881,1193 3.897,1194 3.946,1195 3.807,1196 6.782,1197 3.811,1198 3.359,1199 3.402,1200 3.446,1201 3.232,1202 4.967,1203 3.227,1204 3.356,1205 3.398,1206 3.286,1207 3.085,1208 4.916,1209 3.125,1210 3.248,1211 3.305,1212 3.127,1213 2.958,1214 4.61,1215 2.973,1216 3.168,1217 3.255,1218 2.981,1219 2.868,1220 4.436,1221 2.859,1222 3.168,1223 3.255,1224 2.915,1225 2.868,1226 4.315,1227 2.859,1228 2.912,1229 2.981,1230 2.912,1231 2.735,1232 4.315,1233 2.715,1234 0.204,1235 0.19,1236 0.358,1237 0.203,1238 0.164,1239 5.301,1240 0.167,1241 4.942,1242 0.122,1243 9.306,1244 0.79,1245 5.269,1246 0.164,1247 4.273,1248 4.346,1249 3.164,1250 20.541,1251 4.257,1252 1.966,1253 1.952,1254 2.048,1255 2.084,1256 1.376,1257 2.066,1258 1.853,1259 1.839,1260 1.929,1261 1.948,1262 1.08,1263 1.953,1264 1.32,1265 1.283,1266 1.596,1267 1.577,1268 0.612,1269 1.578,1270 1.252,1271 1.2,1272 1.58,1273 1.547,1274 0.585,1275 1.555,1276 1.189,1277 1.12,1278 1.557,1279 1.474,1280 0.564,1281 1.503,1282 1.144,1283 1.049,1284 1.557,1285 1.474,1286 0.564,1287 1.503,1288 1.144,1289 1.049,1290 1.401,1291 1.402,1292 0.47,1293 1.407,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.97,1302 5.38,1304 7.109,1306 8.983,1308 10.925,1310 5.522,1311 5.885,1318 22.002,1320 -0.749,1322 -4.793,1324 19.533,1325 4.066,1326 28.471,1327 74.446,1328 146.599,1329 165.195,1330 173.195,1331 177.195,1332 189.195,1333 71.601,1334 6.645,1335 84.5,1336 84.5,1337 10,1338 13.171,1339 3.322,1340 3.17,1341 51.267,1342 75,1343 101,1344 0.339,1345 183.133,1346 335.59,1347 438.605,1348 4983,1349 2.3,1350 18.717,1351 0.749,1352 0.608,1353 19.217,1354 15.203,1355 11.968,1356 0.46,1357 0.301,1358 7.288,1359 11.018,1360 6.947,1361 5.804,1362 12.257,1363 7.818,1364 9.772,1365 0.251,1366 0.153,1367 10.18,1368 5.957,1369 9.97,1370 0.158,1371 0.079,1372 10.259,1373 4.991,1374 8.612,1375 0.104,1376 0.043,1377 8.779,1378 3.605,1379 6.122,1380 0.07,1381 0.026,1382 6.358,1383 2.25,1384 0.507,1385 79.934,1386 0.252,1387 23.557,1388 1.01,1389 130,1390 454.436,1391 161.52,1392 453.727,1393 591.72,1394 422,1395 167,1396 385.861,1397 196.805,1398 404.563,1399 606.55,1400 372,1401 4.473}
{0 CHEMBL1976412,1 1.921,2 8.75,3 2.964,4 8.786,5 77.661,6 9.908,7 0.682,8 3.54,9 3.644,10 3.393,11 3.125,12 4.877,13 3.117,14 3.96,15 4.07,16 3.796,17 3.496,18 5.426,19 3.471,20 4.094,21 4.26,22 3.74,23 3.423,24 5.412,25 3.409,26 4.036,27 4.219,28 3.46,29 3.257,30 5.365,31 3.265,32 3.87,33 4.064,34 3.287,35 3.153,36 5.153,37 3.104,38 3.844,39 4.037,40 3.406,41 3.212,42 5.131,43 3.111,44 3.716,45 3.896,46 3.23,47 3.137,48 4.885,49 3.028,50 3.622,51 3.796,52 3.036,53 2.932,54 4.87,55 2.859,56 0.18,57 0.51,58 3.248,59 2.237,60 8.804,61 2.092,62 0.285,63 0.773,64 6.037,65 3.815,66 39.651,67 3.648,68 0.322,69 0.843,70 13.784,71 4.629,72 22.523,73 4.043,74 0.339,75 0.729,76 8.507,77 3.462,78 34.227,79 3.359,80 0.312,81 0.628,82 7.602,83 3.163,84 30.923,85 2.867,86 0.325,87 0.606,88 10.057,89 3.884,90 38.795,91 4.239,92 0.233,93 0.545,94 10.893,95 4.035,96 17.702,97 4.222,98 0.196,99 0.464,100 8.306,101 3.416,102 21.225,103 3.519,104 11,105 31,106 0.357,107 0.653,108 0.766,109 0.865,110 0.878,111 0.878,112 3.058,113 0.884,114 -3.71,115 -3.67,116 -3.49,120 41.4,143 6,147 1,153 2,154 1,156 1,163 1,164 1,165 1,166 1,167 3,174 4,176 2,177 4,179 2,180 2,185 4,188 1,189 12,191 1,192 1,197 1,201 9,206 2,211 2,213 1,214 2,219 2,224 2,226 3,227 2,232 2,235 2,237 2,239 2,240 1,245 1,247 5,249 1,251 1,252 1,254 1,255 1,260 4,263 2,264 4,266 2,267 2,271 1,274 458,275 13.43,276 13.43,277 13.43,278 13.43,279 13.43,280 11.217,281 10.224,282 7.86,283 13.847,284 10.85,285 10.85,286 10.85,287 10.85,288 10.85,289 7.528,290 9.31,291 3.715,292 11.589,293 2.937,294 1.35,295 0.742,296 0.207,297 0.138,298 0.138,299 3.734,306 1,307 1,308 377,309 2.828,312 94.278,313 51.744,316 78.72,320 1.2,321 22.877,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44.5,333 175,334 4.623,335 3.782,336 6.717,337 4.119,338 3.174,339 4.579,340 2.612,341 10.907,342 3,343 4.309,344 3.21,345 5.998,346 3.746,347 2.848,348 4.026,350 8.558,351 2.549,352 3.761,353 2.639,354 5.474,355 3.219,356 2.269,357 3.225,359 6.745,360 2.146,361 3.568,362 2.238,363 5.196,364 3.077,365 2.129,366 2.994,368 6.304,369 2.005,370 3.181,371 1.919,372 4.761,373 2.661,374 1.719,375 2.476,377 4.973,378 1.617,379 2.892,380 1.659,381 3.77,382 2.338,383 1.354,384 1.989,386 2.951,387 1.331,388 2.829,389 1.375,390 3.617,391 2.211,392 1.242,393 1.95,395 2.908,396 1.197,397 2.461,398 1.218,399 3.562,400 1.895,401 0.928,402 1.343,404 2.318,405 0.891,406 2.173,407 1,408 3.253,409 1.546,410 0.66,411 0.999,413 1.609,414 0.567,415 1.942,416 0.72,417 3,418 1.243,419 0.327,420 0.521,422 0.803,423 0.297,424 1,425 0.537,426 2.413,427 0.598,428 -0.341,429 -0.424,431 -0.836,432 -0.318,433 0.973,434 -0.186,435 2.2,436 0.184,437 -0.787,438 -1.04,440 -2,441 -0.757,442 0.648,443 -0.711,444 2,446 -1,447 -1.396,449 -2.016,450 -0.965,451 0.413,452 -0.851,453 1.804,454 -0.034,455 -1,456 -1.512,458 -2.435,459 -0.998,460 0.289,461 -0.942,462 1.751,463 -0.147,464 -1.077,465 -1.718,467 -2.951,468 -1,469 9.5,470 0.475,471 0.524,472 0.026,473 30.75,474 1.538,475 17.5,476 0.875,477 13.25,478 0.663,479 11.251,480 0.563,481 20.5,482 0.707,483 19.666,484 0.983,485 6.037,486 0.302,487 3.611,488 0.181,489 0.112,491 0.347,496 0.481,497 0.952,498 0.646,499 0.7,500 0.602,501 0.708,502 0.482,503 1.093,504 0.739,505 0.963,506 0.389,507 0.898,508 0.837,509 1.281,510 1.191,511 1.354,512 0.59,513 1.048,514 1.19,515 1.239,516 0.803,517 0.911,518 0.965,519 1.058,520 1.17,521 0.893,522 1.013,523 0.769,524 0.971,525 1.015,526 0.615,527 0.761,528 0.938,529 0.896,530 0.726,531 0.941,532 0.426,533 1.03,534 1.37,535 1.294,536 0.474,537 1.114,538 0.77,539 0.986,540 1.22,541 1.351,542 0.881,543 1.279,544 4,545 0.037,546 2.444,547 1.736,548 0.877,549 0.448,550 0.253,551 0.179,552 0.202,553 0.119,554 3908,555 14682,556 2.077,557 31,559 6,561 1,562 2,567 1.614,568 1.935,569 3.114,570 0.508,572 1,574 1,575 55.723,576 1.921,577 3.508,578 4.116,579 4.651,580 4.72,581 4.72,582 2.471,583 4.122,584 4.296,585 3.255,586 618.401,587 7.321,588 6362.31,589 1,590 1,591 1,592 1,593 140.881,594 1.441,595 4.248,596 0.182,597 0.007,598 0.079,599 0.062,600 0.038,601 0.025,602 0.014,603 0.011,604 0.014,605 0.01,606 0.442,607 0.67,608 1,609 0.843,610 88.941,611 0.182,612 0.159,613 0.04,614 0.162,615 -0.077,616 0.067,617 0.236,618 -0.025,619 0.101,620 -0.002,621 0.232,622 -0.049,623 -0.049,624 -0.216,625 -0.085,626 -0.3,627 0.03,628 -0.108,629 -0.268,630 -0.29,631 -0.082,632 -0.153,633 -0.112,634 -0.154,635 -0.308,636 0.103,637 -0.156,638 0.086,639 -0.193,640 -0.081,641 0.192,642 0.179,643 0.212,644 0.204,645 0.046,646 0.162,647 0.228,648 -0.051,649 -0.089,650 -0.073,651 0.072,652 0.01,653 0.077,654 -0.07,655 -0.131,656 -0.281,657 -0.036,658 -0.205,659 2.428,660 3.612,661 0.7,662 13.49,663 1.035,664 1.126,665 2.476,666 6.131,667 0.728,668 3.135,669 3.466,670 3.738,671 3.989,672 4.094,673 4.094,674 4.111,675 4.248,676 4.234,677 4.234,678 5.285,679 0.716,680 287.33,681 3.135,682 4.673,683 5.525,684 6.405,685 7.277,686 8.16,687 9.038,688 9.923,689 10.804,690 11.69,691 17.2,695 1,699 1,700 1,701 1,702 1,708 2,709 6,710 1,713 1,714 3,715 1,716 15,728 1,731 1,738 29,739 18,740 1,741 22,743 31,744 12,745 11,746 2,747 4,748 1,752 3,753 4,768 12,772 3,775 1,778 2,780 1,781 1,786 1,789 9,790 5,791 2,792 8,793 1,794 1,797 5,803 0.667,804 2,822 2,823 1,826 1,855 2,857 1,862 20,863 1,880 1,886 6.9,892 2,893 10.333,894 5.217,895 4.361,896 1.514,898 3.729,899 1.558,900 1.015,901 3.3,902 10.407,903 3.512,904 4.182,905 4.812,906 5.442,907 5.877,908 6.232,909 6.575,910 7.046,911 7.285,912 7.678,913 0.833,914 28,915 7.297,917 3.135,918 8.108,919 13.386,921 10.759,924 2.608,925 52.167,929 82.398,930 105.658,931 73.792,933 50.747,935 31.278,936 74.38,937 133.145,938 73.792,939 5.67,941 89.755,942 37.604,943 23.412,944 3.503,945 101.904,946 50.747,947 82.398,948 148.173,949 50.747,950 31.278,952 82.398,954 50.747,956 23.412,957 93.257,958 31.503,959 31.278,960 82.398,961 124.539,962 105.658,965 82.398,966 39.753,967 73.352,969 117.093,970 82.398,971 124.539,972 105.658,973 0.586,974 0.344,975 0.184,976 0.093,977 16,978 7,979 0.097,980 3,981 1,982 1.143,983 3.288,984 148.865,985 0.143,986 14,987 82.439,989 1,993 12.906,994 5.113,995 2.488,996 1.534,997 117.093,998 10.514,999 4.181,1002 1.051,1003 1.025,1004 1.501,1005 32.897,1006 312.595,1007 32.5,1010 -0.428,1013 21.225,1015 1.53,1016 4.229,1020 30.007,1021 32.661,1022 0.396,1023 0.722,1024 0.847,1025 0.957,1026 0.972,1027 0.972,1028 4.725,1029 0.928,1030 5.517,1031 2.908,1032 4.143,1033 4.868,1034 2.501,1035 6.333,1036 4.013,1037 5.97,1038 0.66,1039 7.083,1040 2.318,1041 3.761,1042 4.783,1043 2.361,1044 7.252,1045 3.538,1046 7.298,1047 0.327,1048 8.748,1049 1.609,1050 5.74,1051 7.183,1052 4.154,1053 10.347,1054 5.47,1055 8.667,1056 -0.341,1057 10.473,1058 0.803,1059 6.196,1060 7.966,1061 4.506,1062 12.128,1063 5.821,1064 10.068,1065 -0.787,1066 12.237,1067 -0.836,1068 7.648,1069 9.809,1070 5.948,1071 14.735,1072 7.239,1073 11.493,1074 -1,1075 14.026,1076 -2,1077 8.48,1078 10.985,1079 6.556,1080 16.871,1081 7.974,1082 12.937,1083 -1,1084 15.836,1085 -2.016,1086 9.731,1087 12.616,1088 7.794,1089 19.322,1090 9.189,1091 3.174,1092 -1.077,1093 17.66,1094 -2.435,1095 10.732,1096 13.973,1097 8.548,1098 21.604,1099 10.109,1100 2.848,1101 10.907,1102 19.497,1103 -2.951,1104 11.907,1105 15.521,1106 9.67,1107 24.006,1108 11.242,1109 2.269,1110 8.558,1111 21.343,1112 4.579,1113 12.983,1114 16.96,1115 10.509,1116 26.348,1117 12.25,1118 2.129,1119 6.745,1120 23.198,1121 4.026,1122 14.131,1123 18.479,1124 11.563,1125 28.735,1126 13.353,1127 1.719,1128 6.304,1129 25.059,1130 3.225,1131 15.242,1132 19.955,1133 12.452,1134 31.103,1135 14.403,1136 1.354,1137 4.973,1138 26.927,1139 2.994,1140 16.383,1141 21.465,1142 13.468,1143 33.488,1144 15.496,1145 1.242,1146 2.951,1147 28.799,1148 2.476,1149 17.509,1150 22.959,1151 14.386,1152 35.866,1153 16.568,1154 3819,1155 7556,1156 14.622,1157 21.108,1158 33.935,1159 34.891,1160 34.334,1161 33.29,1162 33.301,1163 48.201,1164 5.225,1165 96.151,1166 31.201,1167 5.259,1168 5.782,1169 6.398,1170 5.231,1171 5.174,1172 7.579,1173 4.612,1174 17.801,1175 5,1176 9.536,1177 1.543,1178 1.586,1179 1.561,1180 1.513,1181 1.514,1182 2.191,1183 0.237,1184 4.371,1185 1.418,1186 4.112,1187 4.158,1188 4.285,1189 3.991,1190 7.815,1191 3.998,1192 3.95,1193 3.958,1194 4.067,1195 3.912,1196 6.999,1197 3.854,1198 3.513,1199 3.562,1200 3.509,1201 3.26,1202 5.245,1203 3.293,1204 3.389,1205 3.432,1206 3.359,1207 3.012,1208 4.787,1209 3.1,1210 3.033,1211 3.113,1212 2.971,1213 2.789,1214 4.686,1215 2.815,1216 2.85,1217 2.927,1218 2.714,1219 2.658,1220 4.35,1221 2.683,1222 2.762,1223 2.869,1224 2.682,1225 2.476,1226 4.08,1227 2.489,1228 2.186,1229 2.253,1230 2.581,1231 2.266,1232 3.676,1233 2.077,1234 0.21,1235 0.172,1236 0.305,1237 0.187,1238 0.144,1239 4.623,1240 0.208,1241 3.782,1242 0.119,1243 6.717,1244 0.496,1245 4.119,1246 0.136,1247 3.174,1248 4.579,1249 2.612,1250 10.907,1251 3,1252 1.913,1253 1.884,1254 2.007,1255 2.017,1256 1.106,1257 2.014,1258 1.588,1259 1.548,1260 1.703,1261 1.916,1262 0.756,1263 1.807,1264 1.547,1265 1.538,1266 1.553,1267 1.797,1268 0.639,1269 1.76,1270 1.352,1271 1.295,1272 1.384,1273 1.553,1274 0.425,1275 1.554,1276 0.975,1277 0.919,1278 1.134,1279 1.258,1280 0.189,1281 1.238,1282 0.817,1283 0.78,1284 1.119,1285 1.068,1286 0.047,1287 1.09,1288 0.811,1289 0.729,1290 1.002,1291 1.044,1293 1.059,1294 0.507,1295 0.47,1296 0.66,1297 0.767,1299 0.796,1300 3.807,1302 5.13,1303 3.045,1304 6.632,1305 5.416,1306 8.215,1307 7.516,1308 9.843,1313 5.804,1326 20.777,1327 55.723,1328 101.72,1329 119.372,1330 134.881,1331 136.881,1332 136.881,1333 29.425,1334 6.678,1335 102.02,1336 130.26,1337 16,1338 12.223,1339 4.248,1340 3.524,1341 30.099,1342 64,1343 56,1344 0.236,1345 133.374,1346 216.35,1347 317.193,1348 6435,1350 14.113,1351 0.706,1352 0.547,1353 14.466,1354 10.949,1355 9.648,1356 0.439,1357 0.295,1358 5.632,1359 8.697,1360 5.486,1361 4.546,1362 10.056,1363 6.482,1364 8.846,1365 0.285,1366 0.163,1367 9.514,1368 5.042,1369 7.356,1370 0.179,1371 0.088,1372 8.216,1373 3.626,1374 6.075,1375 0.115,1376 0.047,1377 6.779,1378 2.466,1379 4.528,1380 0.077,1381 0.023,1382 5.05,1383 1.385,1384 0.368,1385 65.557,1386 0.262,1387 19.952,1388 0.65,1389 106,1390 382.224,1391 146.071,1392 390.43,1393 527.09,1394 360,1395 125,1396 385.288,1397 162.608,1398 396.642,1399 576.06,1400 372,1401 5.358}
{0 CHEMBL1980604,1 1.566,2 12.486,3 4.895,4 23.961,5 149.106,6 7.34,7 0.297,8 4.302,9 4.421,10 3.915,11 3.891,12 5.322,13 3.808,14 4.859,15 5.052,16 4.288,17 4.27,18 5.849,19 4.149,20 5.065,21 5.281,22 4.446,23 4.439,24 5.977,25 4.281,26 5.103,27 5.293,28 4.525,29 4.494,30 6.093,31 4.34,32 5.187,33 5.397,34 4.428,35 4.503,36 6.147,37 4.36,38 5.237,39 5.448,40 4.494,41 4.547,42 6.287,43 4.403,44 5.26,45 5.479,46 4.376,47 4.54,48 6.213,49 4.379,50 5.246,51 5.481,52 4.228,53 4.461,54 6.203,55 4.291,56 0.037,57 0.987,58 16.423,59 7.343,60 8.999,61 9.348,62 0.382,63 1.616,64 33.118,65 12.203,66 39.641,67 15.707,68 0.386,69 1.948,70 47.975,71 16.444,72 42.035,73 19.45,74 0.466,75 2.048,76 51.281,77 17.788,78 42.939,79 21.037,80 0.41,81 2.137,82 52.947,83 18.209,84 50.469,85 22.232,86 0.604,87 2.25,88 54.225,89 18.834,90 84.728,91 23.322,92 0.478,93 2.291,94 55.45,95 19.207,96 59.995,97 23.769,98 0.495,99 2.193,100 54.293,101 18.697,102 70.247,103 23.816,104 70,105 49,106 0.247,107 0.571,108 0.774,109 0.831,110 0.837,111 0.837,112 3.589,113 1.127,114 -5.13,115 -5.03,116 -4.71,120 38.6,121 4,122 3,126 5,137 1,139 1,143 5,144 2,145 1,153 1,154 1,155 1,159 2,174 8,176 1,177 9,180 1,182 3,185 12,189 3,194 1,197 11,200 1,201 9,204 2,206 1,209 14,214 5,219 3,222 11,226 2,227 13,232 1,235 16,240 6,243 1,245 2,247 13,251 2,252 8,257 2,260 10,263 1,264 9,269 2,271 6,274 2726,275 23.853,276 23.853,277 23.853,278 23.853,279 23.853,280 21.751,281 31.01,282 14.546,283 24.642,284 18.14,285 18.14,286 18.14,287 18.14,288 18.14,289 14.813,290 37.53,291 6.696,292 19.283,293 4.563,294 2.503,295 1.217,296 0.854,297 0.815,298 0.815,299 4.271,307 1,308 896,309 4.848,312 87.436,313 209.663,316 159.682,320 1.9,321 31.439,324 0.75,325 0.67,326 0.67,327 0.9,328 1,329 0.67,330 0.5,331 0.74,332 74.5,333 437,334 4.692,335 4.591,336 7.019,337 4.287,338 3.339,339 4.404,340 2.95,341 12.032,342 3.169,343 4.22,344 3.743,345 6.425,346 3.804,347 2.858,348 3.674,349 1.907,350 9.871,351 2.7,352 3.852,353 3.52,354 5.523,355 3.397,356 2.453,357 3.384,358 1.674,359 7.03,360 2.302,361 3.599,362 3.344,363 5.317,364 3.365,365 2.443,366 2.79,367 0.8,368 6.707,369 2.248,370 3.527,371 2.87,372 5.271,373 3.26,374 2.281,375 2.754,376 0.6,377 6.643,378 2.229,379 3.445,380 2.783,381 5.234,382 3.111,383 2.153,384 2.449,385 0.149,386 6.368,387 2.039,388 3.118,389 2.482,390 4.751,391 2.706,392 1.767,393 2.237,395 4.864,396 1.638,397 3.04,398 2.185,399 4.438,400 2.659,401 1.713,402 2.151,404 4.389,405 1.581,406 2.868,407 1.886,408 3.988,409 2.521,410 1.562,411 1.973,413 3.353,414 1.488,415 2.753,416 1.814,417 3.704,418 2.397,419 1.442,420 1.753,422 3.152,423 1.363,424 2.5,425 1.745,426 3.579,427 2,428 1.081,429 1.5,431 2.456,432 1,433 2.237,434 1.45,435 3.311,436 1.994,437 1,438 1.181,440 2.136,441 0.97,442 2.156,443 1.203,444 3.247,445 1.871,446 0.921,447 1.074,449 1.976,450 0.87,451 1.991,452 1,453 3.065,454 1.591,455 0.649,456 0.814,458 1.343,459 0.6,460 1.618,461 0.879,462 2.87,463 1.564,464 0.618,465 0.618,467 0.835,468 0.571,469 17.367,470 0.496,471 0.695,472 0.02,473 38.25,474 1.093,475 17,476 0.486,477 21.25,478 0.607,479 40.977,480 1.171,481 39.033,482 0.558,483 29.718,484 0.849,485 7.164,486 0.205,487 9.813,488 0.28,489 0.154,491 0.282,496 0.723,497 1.279,498 0.803,499 1.025,500 0.576,501 1.033,502 0.81,503 0.975,504 0.828,505 0.849,506 0.526,507 0.876,508 1.148,509 0.849,510 0.99,511 0.837,512 0.959,513 0.82,514 0.794,515 1.117,516 1.216,517 1.271,518 0.897,519 1.049,520 1.146,521 1.092,522 1.172,523 1.128,524 1.179,525 0.968,526 0.86,527 1.091,528 1.076,529 1.107,530 0.748,531 1.001,532 1.094,533 1.084,534 1.213,535 1.155,536 1.067,537 1.086,538 0.92,539 1.138,540 1.164,541 1.181,542 0.947,543 1.106,544 6,545 0.251,546 3.111,547 2.604,548 1.971,549 1.424,550 0.914,551 0.73,552 0.429,553 0.296,554 16004,555 39593,556 1.994,557 50,558 4,559 15,561 1,562 1,563 3,564 9,565 2,567 1.775,568 1.858,569 3.568,570 -0.373,575 109.633,576 1.566,577 3.626,578 4.913,579 5.275,580 5.315,581 5.315,582 3.074,583 4.786,584 5.089,585 3.792,586 2256.04,587 8.987,588 35524.5,593 429.05,594 1.431,595 5.053,596 0.162,597 0.006,598 0.063,599 0.049,600 0.035,601 0.025,602 0.015,603 0.014,604 0.009,605 0.007,606 0.387,607 0.17,608 0.75,609 2.066,610 188.731,611 -0.003,612 -0.108,613 0.075,614 0.01,615 -0.022,616 0.005,617 0.133,618 0.127,619 0.157,620 0.165,621 0.131,622 0.118,623 -0.117,624 0.236,625 0.167,626 0.265,627 -0.062,628 0.183,629 0.157,630 -0.006,631 0.076,632 -0.048,633 0.045,634 -0.006,635 -0.066,636 -0.046,637 -0.012,638 -0.01,639 -0.065,640 0.046,641 0.145,642 -0.035,643 0.024,644 -0.031,645 0.204,646 0.004,647 -0.092,648 -0.031,649 -0.123,650 -0.092,651 -0.067,652 -0.088,653 0.02,654 -0.13,655 -0.125,656 -0.153,657 0.036,658 -0.11,659 2.05,660 5.855,661 0.429,662 45.254,663 0.994,664 1.123,665 3.903,666 15.23,667 0.669,668 3.638,669 3.912,670 4.174,671 4.466,672 4.7,673 4.883,674 5.069,675 5.226,676 5.288,677 5.323,678 7.582,679 0.614,680 513.79,681 3.638,682 5.153,683 5.989,684 6.862,685 7.731,686 8.625,687 9.515,688 10.421,689 11.324,690 12.239,691 4.3,694 1,698 1,700 1,709 5,713 1,714 5,716 11,726 1,738 70,739 15,740 1,741 37,743 72,744 27,745 10,746 1,747 5,748 4,752 3,753 4,759 4,763 2,766 3,768 15,769 12,772 4,778 2,780 1,781 1,782 4,789 35,790 6,791 1,792 8,793 2,797 3,803 0.667,804 3,822 1,823 2,826 1,834 1,838 1,845 1,846 1,851 1,855 2,856 1,857 2,859 4,862 35,869 8,871 1,872 1,873 1,875 1,880 1,886 4.3,889 2,891 1,893 18.833,894 13.733,895 8.167,896 4.786,898 2.46,899 1.317,900 0.947,901 11.023,902 10.22,903 3.861,904 4.366,905 4.884,906 5.458,907 5.919,908 6.286,909 6.695,910 7.063,911 7.313,912 7.539,913 1,914 53,915 13.02,917 5.309,918 7.662,919 25.259,921 20.104,924 2.162,925 75.667,929 400.217,930 202.688,931 37.921,933 61.29,935 63.497,936 139.19,937 461.507,938 37.921,939 35.301,940 38.63,941 47.381,942 84.555,943 42.947,944 1.358,945 451.944,947 400.217,948 177.111,949 61.29,950 63.497,952 270.735,953 190.772,956 94.77,957 71.743,958 10.598,959 63.497,960 400.217,961 99.21,962 202.688,965 400.217,966 110.958,967 94.854,968 18.011,969 78.075,970 400.217,971 99.21,972 202.688,973 0.556,974 0.322,975 0.181,976 0.1,977 19,978 10,979 0.181,980 13,981 1,982 1.133,983 4.403,984 320.723,985 0.133,986 15,987 171.525,989 2,993 27.636,994 13.96,995 7.518,997 99.21,998 10.213,1002 1.449,1003 4.138,1005 18.011,1006 702.115,1007 46.5,1013 24.746,1015 2.012,1016 4.763,1017 1.675,1020 69.578,1021 78.606,1022 0.256,1023 0.592,1024 0.802,1025 0.861,1026 0.867,1027 0.867,1028 5.086,1029 1.713,1030 5.953,1031 4.864,1032 4.595,1033 5.053,1034 3.458,1035 6.76,1036 4.478,1037 6.262,1038 1.562,1039 7.504,1040 4.389,1041 4.111,1042 4.808,1043 1.668,1044 7.706,1045 3.951,1046 7.556,1047 1.442,1048 9.163,1049 3.353,1050 6.163,1051 7.159,1052 5.227,1053 10.852,1054 5.936,1055 8.89,1056 1.081,1057 10.89,1058 3.152,1059 6.553,1060 7.799,1061 3.047,1062 12.708,1063 6.274,1064 10.262,1065 1,1066 12.664,1067 2.456,1068 8.05,1069 9.62,1070 7.258,1071 15.392,1072 7.721,1073 11.663,1074 0.921,1075 14.471,1076 2.136,1077 8.862,1078 10.685,1079 4.412,1080 17.62,1081 8.474,1082 13.088,1083 0.649,1084 16.304,1085 1.976,1086 10.147,1087 12.295,1088 9.375,1089 20.159,1090 9.716,1091 3.339,1092 0.618,1093 18.157,1094 1.343,1095 11.164,1096 13.57,1097 5.75,1098 22.537,1099 10.674,1100 2.858,1101 12.032,1102 20.026,1103 0.835,1104 12.374,1105 15.093,1106 11.521,1107 25.031,1108 11.84,1109 2.453,1110 9.871,1111 21.907,1112 4.404,1113 13.486,1114 16.47,1115 7.068,1116 27.468,1117 12.895,1118 2.443,1119 7.03,1120 23.799,1121 3.674,1122 14.675,1123 17.96,1124 13.679,1125 29.949,1126 14.038,1127 2.281,1128 6.707,1129 25.7,1130 3.384,1131 15.831,1132 19.387,1133 8.374,1134 32.411,1135 15.14,1136 2.153,1137 6.643,1138 27.608,1139 2.79,1140 17.019,1141 20.865,1142 15.84,1143 34.89,1144 16.278,1145 1.767,1146 6.368,1147 29.521,1148 2.754,1149 18.196,1150 22.317,1151 9.674,1152 37.363,1153 17.403,1154 16148,1155 25760,1156 24.156,1157 46.858,1158 53.983,1159 57.27,1160 56.026,1161 53.377,1162 53.365,1163 66.365,1164 16.161,1165 147.972,1166 50.279,1167 5.591,1168 6.591,1169 6.821,1170 5.457,1171 5.339,1172 7.404,1173 5.9,1174 19.626,1175 5.169,1176 20.151,1177 1.459,1178 1.548,1179 1.514,1180 1.443,1181 1.442,1182 1.794,1183 0.437,1184 3.999,1185 1.359,1186 4.05,1187 4.057,1188 4.326,1189 4.068,1190 7.434,1191 4.012,1192 3.861,1193 3.886,1194 3.97,1195 3.831,1196 7.428,1197 3.804,1198 3.778,1199 3.852,1200 3.666,1201 3.602,1202 4.785,1203 3.6,1204 3.65,1205 3.696,1206 3.601,1207 3.512,1208 4.694,1209 3.506,1210 3.537,1211 3.584,1212 3.448,1213 3.308,1214 4.558,1215 3.315,1216 3.501,1217 3.571,1218 3.41,1219 3.294,1220 4.416,1221 3.297,1222 3.361,1223 3.412,1224 3.331,1225 3.228,1226 4.303,1227 3.206,1228 3.306,1229 3.407,1230 3.222,1231 3.123,1232 4.05,1233 3.089,1234 0.127,1235 0.124,1236 0.19,1237 0.116,1238 0.09,1239 4.692,1240 0.119,1241 4.591,1242 0.08,1243 7.019,1244 0.325,1245 4.287,1246 0.086,1247 3.339,1248 4.404,1249 2.95,1250 12.032,1251 3.169,1252 1.913,1253 1.898,1254 2.002,1255 1.984,1256 1.312,1257 2.003,1258 1.831,1259 1.803,1260 1.981,1261 1.947,1262 1.262,1263 1.967,1264 1.733,1265 1.66,1266 1.95,1267 1.913,1268 1.059,1269 1.927,1270 1.607,1271 1.59,1272 1.81,1273 1.812,1274 1.03,1275 1.804,1276 1.504,1277 1.434,1278 1.792,1279 1.742,1280 0.941,1281 1.746,1282 1.475,1283 1.41,1284 1.731,1285 1.71,1286 0.869,1287 1.741,1288 1.351,1289 1.286,1290 1.725,1291 1.584,1292 0.794,1293 1.638,1294 1.331,1295 1.256,1296 1.485,1297 1.495,1298 0.667,1299 1.508,1300 4.317,1302 5.602,1303 2.398,1304 7.083,1305 4.844,1306 8.665,1307 7.066,1308 10.312,1310 7.621,1315 6.752,1317 2.859,1318 5.348,1319 1.683,1321 2.407,1326 43.012,1327 109.633,1328 253.815,1329 343.891,1330 369.275,1331 372.03,1332 372.03,1333 84.399,1334 7.761,1335 71,1336 124.54,1337 17,1338 12.755,1339 4,1340 3.392,1341 70.023,1342 148,1343 193,1344 0.219,1345 275.87,1346 489.41,1347 664.884,1348 23476,1350 25.209,1351 0.72,1352 0.648,1353 25.916,1354 22.69,1355 16.977,1356 0.459,1357 0.376,1358 12.283,1359 15.548,1360 11.72,1361 9.782,1362 17.794,1363 13.901,1364 14.358,1365 0.293,1366 0.21,1367 15.616,1368 10.305,1369 11.537,1370 0.18,1371 0.129,1372 13.213,1373 8.257,1374 9.825,1375 0.114,1376 0.076,1377 11.893,1378 6.554,1379 7.578,1380 0.07,1381 0.043,1382 9.614,1383 4.726,1384 0.342,1385 113.611,1386 0.203,1387 32.101,1388 0.612,1389 172,1390 490.551,1391 237.407,1392 510.781,1393 692.97,1394 480,1395 199,1396 465.34,1397 262.035,1398 501.185,1399 737.77,1400 473,1401 4.779}
{0 CHEMBL1981797,1 1.658,2 8.864,3 3.453,4 11.924,5 85.766,6 8.19,7 0.261,8 3.747,9 3.825,10 3.579,11 3.358,12 4.879,13 3.304,14 4.269,15 4.404,16 3.836,17 3.692,18 5.688,19 3.64,20 4.474,21 4.631,22 3.896,23 3.803,24 5.78,25 3.731,26 4.582,27 4.77,28 3.812,29 3.696,30 5.881,31 3.632,32 4.465,33 4.642,34 3.656,35 3.521,36 5.825,37 3.466,38 4.183,39 4.336,40 3.539,41 3.435,42 5.545,43 3.373,44 4.216,45 4.36,46 3.471,47 3.488,48 5.429,49 3.393,50 4.279,51 4.492,52 3.359,53 3.499,54 5.693,55 3.368,56 0.132,57 0.525,58 10.039,59 4.324,60 17.555,61 4.647,62 0.414,63 0.822,64 15.129,65 6.529,66 63.072,67 7.873,68 0.286,69 1.017,70 20.311,71 8.257,72 41.257,73 9.564,74 0.456,75 1.049,76 25.33,77 8.557,78 66.678,79 9.469,80 0.657,81 0.897,82 24.1,83 7.193,84 100.698,85 7.197,86 0.423,87 0.746,88 18.631,89 5.874,90 55.896,91 5.94,92 0.415,93 0.715,94 17.257,95 6.277,96 68.071,97 6.418,98 0.421,99 0.783,100 22.537,101 7.678,102 89.24,103 9.094,104 38,105 33,106 0.295,107 0.61,108 0.738,109 0.781,110 0.794,111 0.794,112 3.146,113 1.074,114 -4.03,115 -3.98,116 -3.77,120 41,121 3,123 1,136 2,137 2,143 5,145 1,157 2,167 1,174 10,176 3,177 4,185 11,188 2,189 14,197 8,201 15,209 4,213 1,214 12,222 3,226 1,227 9,235 6,240 2,247 10,251 2,252 4,260 10,264 2,271 9,274 600,275 14.007,276 14.007,277 14.007,278 14.007,279 14.007,280 12.237,281 11.969,282 8.091,283 14.156,284 11.291,285 11.291,286 11.291,287 11.291,288 11.291,289 8.5,290 10.171,291 3.783,292 11.535,293 3.628,294 1.858,295 1.144,296 0.898,297 0.827,298 0.827,299 3.797,305 1,306 1,307 1,308 398,309 3.674,313 160.164,320 1.252,321 33.737,322 1,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 48.5,333 195,334 4.846,335 5.349,336 7.293,337 4.295,338 3.375,339 4.697,340 4.41,341 12.406,342 3.098,343 4.413,344 3.872,345 6.433,346 4.053,347 3.047,348 3.871,349 1.126,350 9.842,351 3.044,352 3.836,353 3.579,354 5.89,355 3.513,356 2.522,357 3.095,359 7.988,360 2.496,361 3.554,362 2.799,363 4.93,364 3.04,365 2.041,366 3.025,368 5.401,369 2.04,370 3.319,371 2.599,372 4.778,373 2.897,374 1.87,375 2.455,377 5.069,378 1.913,379 2.758,380 2.301,381 4.129,382 2.384,383 1.389,384 1.788,386 3.44,387 1.379,388 2.692,389 1.667,390 3.685,391 2.203,392 1.212,393 1.671,395 2.796,396 1.197,397 2.5,398 1.461,399 3.355,400 2,401 1,402 1.5,404 2.136,405 1,406 2.271,407 1,408 3.247,409 1.765,410 0.767,411 1.007,413 1.868,414 0.763,415 1.438,416 0.888,417 2.911,418 1.106,419 0.087,420 0.105,422 0.216,423 0.088,424 1,425 0.575,426 2.622,427 0.535,428 -0.506,429 -0.665,431 -1.246,432 -0.522,433 0.832,434 0.153,435 2.522,436 0.232,437 -0.726,438 -0.993,440 -1.634,441 -0.677,442 0.734,443 -0.142,444 2.19,445 0.15,446 -0.854,447 -1,449 -2,450 -0.856,451 0.529,452 -0.449,453 2,455 -1,456 -1.099,458 -2.347,459 -1,460 0.5,461 -0.994,462 1.66,464 -1,465 -1.46,467 -2.561,468 -1,469 10.567,470 0.48,471 0.777,472 0.035,473 28,474 1.273,475 15,476 0.682,477 13,478 0.591,479 17.136,480 0.779,481 24.233,482 0.621,483 21.404,484 0.973,485 5.416,486 0.246,487 4.893,488 0.222,489 0.237,490 0.079,491 0.284,496 0.385,497 1.158,498 0.79,499 1.289,500 0.633,501 0.993,502 0.439,503 1.031,504 0.625,505 0.904,506 0.482,507 0.868,508 0.758,509 1.262,510 0.934,511 1.169,512 0.706,513 1.076,514 1.376,515 1.138,516 1.038,517 1.04,518 1.184,519 0.982,520 1.971,521 0.896,522 1.26,523 0.834,524 1.784,525 0.856,526 1.419,527 0.956,528 1.467,529 1.124,530 1.205,531 0.948,532 1.616,533 0.912,534 1.28,535 1.009,536 1.583,537 1.101,538 0.534,539 0.964,540 1.227,541 1.217,542 0.608,543 0.993,544 6,545 0.062,546 3.556,547 1.938,548 1.293,549 0.986,550 0.367,551 0.399,552 0.201,553 0.137,554 4447,555 13930,556 1.908,557 43.6,558 10,559 7,567 1.646,568 1.725,569 3.134,570 -0.717,572 1,574 1,575 64.644,576 1.658,577 3.427,578 4.141,579 4.387,580 4.458,581 4.458,582 2.495,583 3.516,584 4.435,585 3.289,586 759.773,587 7.621,588 8405.41,589 1,590 1,591 1,592 1,593 206.131,594 1.753,595 4.338,596 0.261,597 0.008,598 0.108,599 0.057,600 0.045,601 0.041,602 0.016,603 0.02,604 0.01,605 0.011,606 0.575,607 0.33,608 1,609 0.917,610 101,611 0.225,612 -0.013,613 0.257,614 -0.097,615 -0.12,616 0.009,617 0.392,618 -0.01,619 0.221,620 0.067,621 0.287,622 0.099,623 0.074,624 -0.219,625 0.017,626 -0.166,627 0.077,628 -0.111,629 -0.175,630 -0.152,631 -0.017,632 -0.084,633 -0.087,634 -0.049,635 -0.377,636 0.094,637 -0.146,638 0.131,639 -0.277,640 0.027,641 -0.17,642 0.161,643 -0.245,644 -0.02,645 -0.06,646 -0.03,647 -0.352,648 0.065,649 -0.26,650 0.012,651 -0.361,652 -0.167,653 0.25,654 -0.005,655 -0.067,656 -0.095,657 0.368,658 0.062,659 4.88,660 5.025,661 0.545,662 15.273,663 1.014,664 1.117,665 2.797,666 7.823,667 0.681,668 3.178,669 3.526,670 3.714,671 3.85,672 4.007,673 3.97,674 3.85,675 3.85,676 3.761,677 3.784,678 5.463,679 0.648,680 319.41,681 3.178,682 4.727,683 5.557,684 6.435,685 7.286,686 8.163,687 9.02,688 9.898,689 10.758,690 11.635,691 2.6,700 1,709 5,714 1,716 6,738 39,739 12,740 1,741 23,743 40,744 16,745 6,746 1,747 5,748 6,752 2,753 2,759 3,768 12,769 4,770 1,772 6,776 1,778 3,780 2,781 1,782 4,785 1,786 1,789 17,790 5,792 6,793 1,797 1,803 1,804 4,823 2,836 1,845 2,846 2,855 2,857 1,859 3,862 22,867 1,872 1,874 1,886 10.3,889 3,891 1,893 12.75,894 7.95,895 4.792,896 2.319,898 2.249,899 1.356,900 0.94,901 4.747,902 8.569,903 3.497,904 4.103,905 4.562,906 4.981,907 5.425,908 5.563,909 5.692,910 5.876,911 6.005,912 6.269,913 0.833,914 34,915 8.42,917 3.816,918 8.14,919 15.1,921 12.135,924 2.64,925 58.083,929 200.109,930 116.371,931 19.4,933 78.222,935 7.75,936 108.621,937 278.331,938 19.4,939 26.476,941 74.084,942 77.348,943 36.086,945 200.109,947 200.109,948 128.021,949 78.222,950 7.75,952 200.109,953 78.222,956 45.875,957 63.193,958 26.702,960 200.109,961 97.622,962 116.371,964 7.75,965 200.109,966 15.812,967 92.809,969 97.622,970 200.109,971 97.622,972 116.371,973 0.596,974 0.34,975 0.163,976 0.085,977 15,978 8,979 0.1,980 4,982 1,983 3.269,984 163.945,986 12,987 90.107,992 1,993 16.346,994 6.389,995 3.803,997 97.622,998 7.771,1003 0.029,1006 414.102,1007 32,1011 -3.963,1013 35.905,1015 3.009,1016 3.711,1017 1.392,1020 39.556,1021 43.578,1022 0.314,1023 0.648,1024 0.783,1025 0.83,1026 0.843,1027 0.843,1028 4.749,1029 1,1030 5.609,1031 2.796,1032 4.205,1033 4.787,1034 3.748,1035 6.472,1036 4.162,1037 6.017,1038 0.767,1039 7.226,1040 2.136,1041 4.111,1042 4.945,1044 7.769,1045 3.996,1046 7.385,1047 0.087,1048 8.961,1049 1.868,1050 5.916,1051 7.101,1052 6.634,1053 10.759,1054 5.789,1055 8.797,1056 -0.506,1057 10.765,1058 0.216,1059 6.594,1060 8.056,1062 12.839,1063 6.373,1064 10.243,1065 -0.726,1066 12.614,1067 -1.246,1068 7.98,1069 9.787,1070 9.597,1071 15.461,1072 7.736,1073 11.715,1074 -0.854,1075 14.493,1076 -1.634,1077 8.965,1078 11.074,1080 17.811,1081 8.627,1082 13.205,1083 -1,1084 16.393,1085 -2,1086 10.215,1087 12.668,1088 12.564,1089 20.339,1090 9.835,1091 3.375,1092 -1,1093 18.308,1094 -2.347,1095 11.323,1096 14.096,1098 22.786,1099 10.856,1100 3.047,1101 12.406,1102 20.236,1103 -2.561,1104 12.53,1105 15.646,1106 15.532,1107 25.294,1108 12.008,1109 2.522,1110 9.842,1111 22.173,1112 4.697,1113 13.688,1114 17.136,1116 27.779,1117 13.084,1118 2.041,1119 7.988,1120 24.117,1121 3.871,1122 14.884,1123 18.675,1124 18.5,1125 30.285,1126 14.215,1127 1.87,1128 5.401,1129 26.068,1130 3.095,1131 16.064,1132 20.192,1134 32.786,1135 15.316,1136 1.389,1137 5.069,1138 28.024,1139 3.025,1140 17.26,1141 21.73,1142 21.467,1143 35.295,1144 16.44,1145 1.212,1146 3.44,1147 29.984,1148 2.455,1149 18.451,1150 23.26,1152 37.804,1153 17.552,1154 4567,1155 8278,1156 14.216,1157 26.563,1158 35.428,1159 39.108,1160 35.909,1161 34.688,1162 34.619,1163 46.431,1164 11.071,1165 102.324,1166 34.034,1167 5.643,1168 7.349,1169 7.095,1170 5.329,1171 5.375,1172 7.697,1173 8.82,1174 19.571,1175 5.098,1176 13.873,1177 1.54,1178 1.7,1179 1.561,1180 1.508,1181 1.505,1182 2.019,1183 0.481,1184 4.449,1185 1.48,1186 4.061,1187 4.035,1188 4.728,1189 4.036,1190 7.721,1191 3.957,1192 3.922,1193 3.939,1194 3.884,1195 3.849,1196 7.428,1197 3.847,1198 3.611,1199 3.628,1200 3.673,1201 3.515,1202 6.999,1203 3.446,1204 3.535,1205 3.543,1206 3.391,1207 3.423,1208 4.866,1209 3.394,1210 3.124,1211 3.203,1212 3.029,1213 2.95,1214 4.707,1215 2.929,1216 3.036,1217 3.05,1218 2.917,1219 2.795,1220 4.322,1221 2.84,1222 2.874,1223 3.009,1224 2.687,1225 2.735,1226 4.146,1227 2.715,1228 2.854,1229 2.925,1230 2.509,1231 2.618,1232 3.736,1233 2.57,1234 0.211,1235 0.233,1236 0.317,1237 0.187,1238 0.147,1239 4.846,1240 0.204,1241 5.349,1242 0.192,1243 7.293,1244 0.539,1245 4.295,1246 0.135,1247 3.375,1248 4.697,1249 4.41,1250 12.406,1251 3.098,1252 1.945,1253 1.954,1254 2.029,1255 2.032,1256 1.227,1257 2.053,1258 1.898,1259 1.876,1260 1.993,1261 1.987,1262 1.133,1263 2.005,1264 1.573,1265 1.516,1266 1.827,1267 1.745,1268 0.954,1269 1.777,1270 1.384,1271 1.441,1272 1.464,1273 1.563,1274 0.53,1275 1.594,1276 1.136,1277 1.059,1278 1.417,1279 1.365,1280 0.482,1281 1.401,1282 0.934,1283 0.875,1284 1.181,1285 1.239,1286 0.469,1287 1.308,1288 0.898,1289 0.821,1290 1.139,1291 1.153,1292 0.218,1293 1.115,1294 0.886,1295 0.804,1296 1.089,1297 1.062,1298 0.133,1299 1.107,1300 3.85,1302 5.187,1304 6.718,1306 8.332,1308 9.988,1310 5.456,1318 4.752,1320 0.021,1326 25.282,1327 64.644,1328 133.65,1329 161.501,1330 171.111,1331 173.866,1332 173.866,1333 58.768,1334 6.321,1335 72.8,1336 81.18,1337 12,1338 12.176,1339 3.7,1340 3.322,1341 42.219,1342 73,1343 64,1344 0.291,1345 162.88,1346 295.93,1347 389.186,1348 3799,1350 16.328,1351 0.742,1352 0.61,1353 16.578,1354 13.424,1355 10.309,1356 0.448,1357 0.358,1358 6.867,1359 9.195,1360 6.453,1361 5.471,1362 11.13,1363 8.231,1364 9.956,1365 0.302,1366 0.206,1367 11.28,1368 6.793,1369 7.58,1370 0.19,1371 0.108,1372 8.671,1373 4.336,1374 5.745,1375 0.125,1376 0.059,1377 6.619,1378 2.71,1379 4.218,1380 0.078,1381 0.032,1382 5.037,1383 1.742,1384 0.451,1385 72.952,1386 0.265,1387 21.59,1388 0.813,1389 112,1390 393.448,1391 161.33,1392 396.605,1393 525.38,1394 360,1395 129,1396 355.41,1397 186.032,1398 396.784,1399 570.54,1400 368,1401 5.378}
{0 CHEMBL1983220,1 1.535,2 11.292,3 2.05,4 4.203,5 93.743,6 8.009,7 0.462,8 3.795,9 3.891,10 3.404,11 3.381,12 5.049,13 3.373,14 4.228,15 4.354,16 3.729,17 3.733,18 5.475,19 3.706,20 4.465,21 4.627,22 3.741,23 3.782,24 5.729,25 3.733,26 4.499,27 4.72,28 3.559,29 3.639,30 5.78,31 3.56,32 4.3,33 4.521,34 3.484,35 3.536,36 5.436,37 3.483,38 4.277,39 4.451,40 3.499,41 3.529,42 5.554,43 3.499,44 4.236,45 4.412,46 3.512,47 3.473,48 5.57,49 3.447,50 4.189,51 4.363,52 3.394,53 3.329,54 5.63,55 3.318,56 0.077,57 0.531,58 7.029,59 3.514,60 13.985,61 4.014,62 0.124,63 0.828,64 11.391,65 5.503,66 16.405,67 6.691,68 0.209,69 0.991,70 16.553,71 7.186,72 32.777,73 8.808,74 0.505,75 1.023,76 20.273,77 7.184,78 79.809,79 9.347,80 0.216,81 0.854,82 16.054,83 5.901,84 37.578,85 7.705,86 0.283,87 0.803,88 14.936,89 5.523,90 46.853,91 6.357,92 0.23,93 0.753,94 14.354,95 5.677,96 37.537,97 6.885,98 0.374,99 0.717,100 14.2,101 4.821,102 64.085,103 5.437,104 10,105 35,106 0.269,107 0.615,108 0.744,109 0.843,110 0.855,111 0.855,112 3.228,113 0.857,114 -3.31,115 -3.3,116 -3.16,120 47.5,126 1,136 1,137 1,139 2,143 9,144 2,145 1,155 1,159 1,174 11,177 3,180 1,182 5,185 12,189 2,193 1,194 4,197 8,200 1,201 3,204 3,206 4,209 2,214 3,219 5,222 4,227 4,232 4,235 4,240 6,244 1,245 4,247 2,252 4,256 1,257 5,260 3,264 1,267 1,269 2,271 6,274 872,275 16.206,276 16.206,277 16.206,278 16.206,279 16.206,280 13.899,281 17.502,282 9.739,283 16.359,284 12.828,285 12.828,286 12.828,287 12.828,288 12.828,289 9.442,290 22.531,291 4.661,292 13.091,293 3.787,294 1.815,295 1.082,296 0.519,297 0.45,298 0.45,299 3.909,305 1,306 1,307 1,308 579,309 2.739,312 72.201,313 174.933,320 2.042,321 27.604,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 52,333 271,334 4.522,335 3.671,336 6.647,337 4.125,338 3.147,339 4.025,340 1.058,341 10.556,342 3.074,343 4.034,344 2.851,345 5.588,346 3.606,347 2.617,348 3.628,349 0.795,350 7.491,351 2.588,352 3.902,353 2.777,354 5.34,355 3.512,356 2.519,357 3.449,359 6.965,360 2.503,361 3.596,362 2.68,363 5.254,364 3.168,365 2.193,366 2.905,368 6.318,369 2.128,370 3.232,371 2.299,372 4.872,373 2.859,374 1.879,375 2.395,377 5.474,378 1.828,379 3.149,380 2.077,381 4.625,382 2.646,383 1.674,384 2.246,386 4.562,387 1.616,388 2.937,389 1.686,390 3.714,391 2.489,392 1.506,393 2.057,395 3.244,396 1.477,397 2.681,398 1.457,399 3.474,400 2.026,401 1.09,402 1.574,404 2.474,405 1.016,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.247,418 2,419 1,420 1.5,422 2.136,423 1,424 1.603,425 0.916,426 3.054,427 1.333,428 0.377,429 0.437,431 0.925,432 0.357,433 1.344,434 0.481,435 2.69,436 1.031,437 0.067,438 0.08,440 0.157,441 0.064,442 1.078,443 0.229,444 2.313,445 0.603,446 -0.357,447 -0.466,449 -0.823,450 -0.336,451 0.964,452 0.026,453 2.126,454 0.481,455 -0.511,456 -0.695,458 -1.243,459 -0.499,460 0.51,461 -0.546,462 2,463 0.076,464 -0.908,465 -1.093,467 -1.965,468 -0.869,469 11.3,470 0.471,471 0.541,472 0.023,473 33.25,474 1.385,475 18.5,476 0.771,477 14.75,478 0.615,479 15.012,480 0.625,481 24.7,482 0.618,483 24.421,484 1.018,485 7.11,486 0.296,487 4.521,488 0.188,489 0.088,491 0.31,496 0.891,497 1.009,498 0.775,499 0.856,500 0.84,501 0.802,502 0.646,503 1.136,504 0.848,505 1.067,506 0.616,507 1.004,508 0.916,509 1.284,510 1.024,511 1.253,512 0.945,513 1.182,514 0.901,515 0.968,516 1.031,517 0.95,518 0.88,519 1.003,520 0.914,521 0.952,522 0.85,523 0.866,524 0.866,525 0.835,526 1.509,527 0.932,528 1.14,529 0.921,530 1.46,531 0.943,532 1.163,533 1.099,534 0.89,535 1.053,536 1.278,537 0.952,538 1.66,539 1.033,540 1.174,541 0.964,542 1.703,543 0.966,544 4.5,545 0.058,546 2.444,547 1.826,548 0.903,549 0.615,550 0.558,551 0.346,552 0.205,553 0.107,554 6951,555 20387,556 2.064,557 40,559 12,561 1,562 3,567 1.665,568 1.946,569 3.443,570 0.957,571 1,572 1,574 1,575 61.412,576 1.535,577 3.507,578 4.24,579 4.803,580 4.872,581 4.872,582 2.924,583 4.168,584 4.553,585 3.621,586 999.293,587 7.839,588 12165.8,589 1,590 1,592 1,593 212.877,594 1.347,595 4.522,596 0.173,597 0.005,598 0.07,599 0.055,600 0.035,601 0.024,602 0.021,603 0.013,604 0.009,605 0.007,606 0.413,607 0.33,608 1,609 0.566,610 116.161,611 -0.13,612 0.053,613 -0.015,614 0.112,615 -0.149,616 0.078,617 0.027,618 -0.075,619 -0.054,620 -0.105,621 -0.001,622 -0.097,623 -0.005,624 -0.3,625 -0.116,626 -0.283,627 -0.033,628 -0.237,629 0.146,630 0.03,631 0.004,632 0.002,633 0.119,634 -0.025,635 -0.053,636 0.061,637 0.146,638 0.094,639 -0.023,640 0.154,641 -0.263,642 0.074,643 -0.159,644 0.026,645 -0.202,646 -0.026,648 -0.148,649 0.1,650 -0.078,651 -0.011,652 0.006,653 -0.125,654 -0.032,655 -0.133,656 -0.038,657 -0.083,658 -0.072,659 2.061,660 4.981,661 0.708,662 23.528,663 1.009,664 1.113,665 2.08,666 4.327,667 0.693,668 3.296,669 3.584,670 3.807,671 4.007,672 4.143,673 4.043,674 4.159,675 4.248,676 4.304,677 4.344,678 6.571,679 0.672,680 320.37,681 3.296,682 4.812,683 5.638,684 6.491,685 7.334,686 8.191,687 9.043,688 9.905,689 10.763,690 11.628,691 5,698 1,700 1,709 9,714 3,716 12,734 1,738 40,739 16,740 2,741 26,743 42,744 19,745 12,746 3,747 9,748 6,752 3,753 3,768 18,769 1,772 4,778 1,780 2,781 1,782 4,785 1,786 1,789 16,790 5,791 3,792 5,797 2,803 1,804 3,822 1,823 2,834 1,838 1,845 3,846 1,853 1,855 3,862 24,868 2,869 1,871 1,886 7.5,888 2,889 1,893 12.333,894 6.933,895 5.333,896 2.163,898 3.448,899 1.504,900 0.949,901 4.777,902 10.295,903 3.611,904 4.174,905 4.7,906 5.207,907 5.665,908 5.733,909 6.135,910 6.529,911 6.866,912 7.207,913 0.875,914 33,915 8.847,917 3.776,918 7.986,919 16.421,921 13.147,924 2.486,925 59.667,929 153.024,930 122.934,931 34.796,933 110.512,936 122.934,937 263.536,938 34.796,940 20.116,941 94.762,942 138.792,943 26.342,945 141.253,947 153.024,948 157.73,949 110.512,952 153.024,953 110.512,956 36.902,957 99.548,958 21.28,960 153.024,961 145.308,962 122.934,965 153.024,966 19.124,967 103.81,968 18.011,969 127.297,970 153.024,971 145.308,972 122.934,973 0.575,974 0.33,975 0.17,976 0.09,977 16,978 7,979 0.095,980 4,982 1,983 3.745,984 183.278,986 17,987 102.039,993 16.029,994 7.153,995 3.933,997 145.308,998 16.078,1003 1.922,1005 103.377,1006 421.266,1007 36,1013 11.981,1015 3.014,1016 4.214,1017 -0.081,1020 40.371,1021 44.531,1022 0.288,1023 0.659,1024 0.797,1025 0.903,1026 0.915,1027 0.915,1028 4.82,1029 1.09,1030 5.602,1031 3.244,1032 4.263,1033 4.86,1034 1.505,1035 6.358,1036 4.222,1037 6.025,1038 1,1039 7.128,1040 2.474,1041 3.761,1042 4.494,1044 7.149,1045 3.701,1046 7.318,1047 1,1048 8.755,1049 2.275,1050 5.802,1051 6.99,1052 1.46,1053 10.236,1054 5.727,1055 8.648,1056 0.377,1057 10.442,1058 2.136,1059 6.133,1060 7.419,1062 11.912,1063 6.034,1064 10.007,1065 0.067,1066 12.17,1067 0.925,1068 7.632,1069 9.372,1070 1.462,1071 14.515,1072 7.52,1073 11.39,1074 -0.357,1075 13.927,1076 0.157,1077 8.369,1078 10.201,1080 16.58,1081 8.229,1082 12.792,1083 -0.511,1084 15.708,1085 -0.823,1086 9.642,1087 11.891,1088 1.497,1089 19.021,1090 9.487,1091 3.147,1092 -0.908,1093 17.507,1094 -1.243,1095 10.583,1096 12.945,1098 21.256,1099 10.398,1100 2.617,1101 10.556,1102 19.322,1103 -1.965,1104 11.763,1105 14.492,1106 1.553,1107 23.642,1108 11.559,1109 2.519,1110 7.491,1111 21.15,1112 4.025,1113 12.804,1114 15.676,1116 25.948,1117 12.571,1118 2.193,1119 6.965,1120 22.989,1121 3.628,1122 13.95,1123 17.145,1124 1.624,1125 28.314,1126 13.695,1127 1.879,1128 6.318,1129 24.838,1130 3.449,1131 15.04,1132 18.407,1134 30.65,1135 14.757,1136 1.674,1137 5.474,1138 26.695,1139 2.905,1140 16.176,1141 19.833,1142 1.705,1143 33.01,1144 15.87,1145 1.506,1146 4.562,1147 28.558,1148 2.395,1149 17.291,1150 21.142,1152 35.357,1153 16.957,1154 6714,1155 11614,1156 17.394,1157 27.705,1158 38.85,1159 39.421,1160 39.228,1161 38.145,1162 38.139,1163 51.593,1164 3.707,1165 105.153,1166 37.301,1167 5.382,1168 5.671,1169 6.449,1170 5.152,1171 5.147,1172 7.025,1173 2.117,1174 17.512,1175 5.074,1176 10.652,1177 1.494,1178 1.516,1179 1.509,1180 1.467,1181 1.467,1182 1.984,1183 0.143,1184 4.044,1185 1.435,1186 3.992,1187 4.017,1188 3.948,1189 3.909,1190 7.43,1191 3.913,1192 3.902,1193 3.932,1194 3.831,1195 3.842,1196 6.472,1197 3.835,1198 3.795,1199 3.816,1200 3.751,1201 3.679,1202 6.465,1203 3.696,1204 3.36,1205 3.429,1206 3.264,1207 3.184,1208 4.798,1209 3.193,1210 3.113,1211 3.135,1212 3.039,1213 2.973,1214 4.677,1215 2.978,1216 2.888,1217 2.932,1218 2.8,1219 2.735,1220 4.556,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 4.228,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.65,1232 3.674,1233 2.672,1234 0.174,1235 0.141,1236 0.256,1237 0.159,1238 0.121,1239 4.522,1240 0.155,1241 3.671,1242 0.041,1243 6.647,1244 0.406,1245 4.125,1246 0.118,1247 3.147,1248 4.025,1249 1.058,1250 10.556,1251 3.074,1252 1.915,1253 1.892,1254 2.04,1255 2.002,1256 1.143,1257 2.016,1258 1.907,1259 1.879,1260 2.011,1261 1.99,1262 1.101,1263 1.998,1264 1.607,1265 1.592,1266 1.693,1267 1.755,1268 0.779,1269 1.735,1270 1.4,1271 1.362,1272 1.531,1273 1.621,1274 0.629,1275 1.59,1276 1.195,1277 1.141,1278 1.396,1279 1.425,1280 0.483,1281 1.417,1282 0.886,1283 0.821,1284 1.181,1285 1.132,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.844,1295 0.813,1296 1.041,1297 1.062,1298 0.02,1299 1.1,1300 3.97,1302 5.263,1303 2.398,1304 6.739,1305 4.844,1306 8.294,1307 6.986,1308 9.889,1314 19.498,1315 0.432,1317 2.61,1326 26.875,1327 61.412,1328 140.294,1329 169.593,1330 192.122,1331 194.877,1332 194.877,1333 46.321,1334 6.847,1335 85.68,1336 85.68,1337 17,1338 12.177,1339 4.087,1340 3.459,1341 39.45,1342 93,1343 91,1344 0.204,1345 167.148,1346 300.35,1347 399.601,1348 8426,1350 16.941,1351 0.706,1352 0.534,1353 16.941,1354 12.808,1355 11.631,1356 0.447,1357 0.286,1358 7.347,1359 11.297,1360 7.193,1361 5.988,1362 11.631,1363 7.427,1364 10.293,1365 0.294,1366 0.152,1367 10.293,1368 5.321,1369 8.47,1370 0.193,1371 0.081,1372 8.47,1373 3.544,1374 6.704,1375 0.124,1376 0.042,1377 6.704,1378 2.289,1379 5.207,1380 0.084,1381 0.023,1382 5.207,1383 1.444,1384 0.325,1385 72.426,1386 0.24,1387 23.933,1388 0.543,1389 122,1390 376.013,1391 131.863,1392 369.225,1393 493.98,1394 342,1395 140,1396 352.711,1397 149.865,1398 361.503,1399 521.39,1400 339,1401 5.271}
{0 CHEMBL1986765,1 1.455,2 12.053,3 3.678,4 13.529,5 148.832,6 7.324,7 0.293,8 4.316,9 4.424,10 3.851,11 3.904,12 5.464,13 3.869,14 4.858,15 5.02,16 4.259,17 4.327,18 5.932,19 4.278,20 5.202,21 5.363,22 4.388,23 4.523,24 6.389,25 4.448,26 5.417,27 5.682,28 4.363,29 4.444,30 6.655,31 4.349,32 5.111,33 5.297,34 4.105,35 4.241,36 6.421,37 4.191,38 4.883,39 5.068,40 4.18,41 4.243,42 6.045,43 4.184,44 5.033,45 5.225,46 4.28,47 4.304,48 6.296,49 4.261,50 5.069,51 5.259,52 4.241,53 4.351,54 6.252,55 4.29,56 0.034,57 0.923,58 13.977,59 6.888,60 15.25,61 8.705,62 0.085,63 1.535,64 26.033,65 11.785,66 37.537,67 15.474,68 0.237,69 2.086,70 37.934,71 15.899,72 79.452,73 20.45,74 0.918,75 2.37,76 55.02,77 18.619,78 186.325,79 26.185,80 0.967,81 1.745,82 39.554,83 12.062,84 192.16,85 14.532,86 0.153,87 1.558,88 27.748,89 11.497,90 39.398,91 15.53,92 0.537,93 1.79,94 33.806,95 11.787,96 86.445,97 15.821,98 0.376,99 1.812,100 34.907,101 12.994,102 80.891,103 16.99,104 82,105 61,106 0.226,107 0.557,108 0.672,109 0.746,110 0.779,111 0.818,112 3.668,113 0.923,114 -3.64,115 -3.61,116 -3.44,120 44.3,121 4,122 4,124 2,137 2,138 1,139 1,143 8,144 2,145 2,155 1,157 3,158 1,174 17,177 10,182 4,185 25,189 9,192 1,194 3,197 10,200 2,201 15,204 4,206 6,209 13,213 1,214 4,219 2,222 11,227 7,230 1,232 4,235 10,239 2,240 11,243 1,244 1,245 6,247 13,252 6,257 4,260 15,263 1,264 8,267 1,269 5,271 20,274 3368,275 24.378,276 24.378,277 24.378,278 24.378,279 24.378,280 21.847,281 29.236,282 13.851,283 24.405,284 20.187,285 20.187,286 20.187,287 20.187,288 20.187,289 16.155,290 38.71,291 6.545,292 20.193,293 4.674,294 2.549,295 1.811,296 1.336,297 1.122,298 0.872,299 4.352,307 1,308 967,309 4.243,313 554.807,320 1.684,321 58.873,324 0.75,325 0.83,326 0.83,327 0.7,328 0.5,329 0.83,330 1,331 0.78,332 82,333 458,334 4.484,335 3.851,336 6.843,337 4.319,338 3.31,339 4.057,340 1.277,341 11.394,342 3.34,343 4.452,344 3.737,345 6.843,346 4.31,347 3.309,348 3.841,349 1.277,350 11.394,351 3.31,352 4.391,353 3.585,354 6.43,355 4.043,356 3.037,357 3.758,358 1.277,359 9.865,360 3.061,361 4.122,362 3.326,363 6.239,364 3.784,365 2.79,366 3.639,367 0.765,368 9.17,369 2.777,370 3.961,371 3.09,372 6.23,373 3.725,374 2.717,375 3.055,376 0.6,377 9.12,378 2.731,379 3.939,380 3.038,381 6.099,382 3.664,383 2.662,384 3.05,385 0.4,386 8.839,387 2.656,388 3.555,389 3,390 5.202,391 3.125,392 2.128,393 2.953,395 6.231,396 2.119,397 3.303,398 2.714,399 4.956,400 2.949,401 1.879,402 2.414,404 5.321,405 2,406 3.235,407 2.213,408 4.956,409 2.884,410 1.879,411 2.313,413 5.321,414 1.869,415 3.077,416 2.115,417 4.462,418 2.626,419 1.674,420 2.213,422 4.488,423 1.59,424 2.968,425 1.935,426 3.906,427 2.501,428 1.495,429 2.144,431 3.318,432 1.501,433 2.623,434 1.644,435 3.702,436 2.075,437 1.077,438 1.5,440 2.637,441 1.067,442 2.52,443 1.388,444 3.664,445 2,446 1,447 1.485,449 2.51,450 1,451 2.5,452 1.323,453 3.357,454 1.978,455 1,456 1.387,458 2.136,459 0.971,460 2.388,461 1,462 3.247,463 1.805,464 0.751,465 1.16,467 1.869,468 0.785,469 17.967,470 0.473,471 1.408,472 0.037,473 46.25,474 1.217,475 23.5,476 0.618,477 22.75,478 0.599,479 40.106,480 1.055,481 40.833,482 0.583,483 42.542,484 1.12,485 8.672,486 0.228,487 9.178,488 0.242,489 0.204,490 0.056,491 0.306,496 0.636,497 1.111,498 0.804,499 1.023,500 0.602,501 0.953,502 0.576,503 1.048,504 0.718,505 0.974,506 0.556,507 0.884,508 0.987,509 1.388,510 1.152,511 1.356,512 0.983,513 1.297,514 0.812,515 0.897,516 0.727,517 0.83,518 0.827,519 0.775,520 2.301,521 0.752,522 1.449,523 0.697,524 2.272,525 0.887,526 0.611,527 1.248,528 0.782,529 1.078,530 0.583,531 0.978,532 1.045,533 1.001,534 0.96,535 0.899,536 0.936,537 0.895,538 1.176,539 1.009,540 1.053,541 0.978,542 1.052,543 0.978,544 11,545 0.599,546 5.778,547 4.125,548 2.276,549 1.333,550 1.016,551 0.745,552 0.738,553 0.628,554 21409,555 55606,556 1.979,557 45.7,558 12,559 8,560 1,561 1,562 2,563 6,564 2,567 1.794,568 1.795,569 3.518,570 0.097,575 101.86,576 1.455,577 3.581,578 4.318,579 4.793,580 5.007,581 5.258,582 2.851,583 4.616,584 5.22,585 3.776,586 2654.59,587 9.234,588 45198.6,593 429.05,594 1.759,595 5.134,596 0.268,597 0.01,598 0.095,599 0.065,600 0.039,601 0.028,602 0.019,603 0.013,604 0.013,605 0.011,606 0.561,607 0.33,608 0.88,609 0.63,610 210.192,611 -0.041,612 0.022,613 0.019,614 0.053,615 -0.053,616 0.047,617 0.028,618 0.027,619 0.155,620 0.075,621 0.028,622 0.127,623 -0.073,624 -0.337,625 -0.233,626 -0.342,627 -0.078,628 -0.322,629 0.23,630 0.054,631 0.316,632 0.117,633 0.189,634 0.21,635 -0.483,636 0.276,637 -0.365,638 0.218,639 -0.445,640 -0.01,641 0.078,642 -0.182,643 0.128,644 -0.065,645 0.046,646 0.017,647 0.018,648 0.115,649 0.015,650 0.046,651 0.005,652 0.035,653 -0.151,654 0.058,655 -0.09,656 -0.003,657 -0.093,658 -0.024,659 1.898,660 6.067,661 0.632,662 43.23,663 1.001,664 1.118,665 2.415,666 5.83,667 0.667,668 3.738,669 4.127,670 4.331,671 4.585,672 4.727,673 4.828,674 4.787,675 4.956,676 5.147,677 5.303,678 7.886,679 0.636,680 512.65,681 3.738,682 5.323,683 6.168,684 7.072,685 7.927,686 8.832,687 9.691,688 10.595,689 11.456,690 12.361,691 2.9,696 1,700 1,709 8,714 4,716 12,721 1,729 1,738 70,739 19,740 2,741 41,743 73,744 31,745 12,746 4,747 8,748 9,752 4,753 4,759 4,760 2,762 2,763 4,766 4,768 21,769 10,772 7,778 4,780 2,781 1,782 7,789 32,790 7,791 2,792 7,797 2,803 1,804 5,823 4,834 1,836 3,845 1,846 2,853 1,855 4,859 4,862 38,868 1,869 4,871 1,876 2,886 7.1,888 1,889 4,893 21.167,894 13.9,895 8.028,896 4.139,898 3.173,899 1.397,900 0.931,901 7.557,902 11.162,903 4.007,904 4.585,905 5.081,906 5.58,907 5.987,908 6.307,909 6.647,910 7.047,911 7.484,912 7.891,913 0.875,914 63,915 14.262,917 6.334,918 7.982,919 26.605,921 22.342,924 2.482,925 94.333,929 353.133,930 178.133,931 34.796,933 143.263,936 178.133,937 496.396,938 34.796,939 35.301,940 19.186,941 75.81,942 202.626,943 35.041,944 11.771,945 329.591,947 353.133,948 212.93,949 143.263,952 329.591,953 166.805,956 62.224,957 123.647,958 27.058,960 353.133,961 178.059,962 178.133,965 353.133,966 48.928,967 129.206,968 18.011,969 160.049,970 353.133,971 178.059,972 178.133,973 0.603,974 0.339,975 0.179,976 0.087,977 29,978 15,979 0.082,980 6,982 1,983 4.582,984 371.827,986 24,987 185.421,993 27.261,994 10.534,995 6.39,997 178.059,998 13.664,1003 1.642,1005 60.694,1006 709.326,1007 54,1013 50.965,1015 2.703,1016 4.463,1017 -0.678,1020 70.094,1021 78.272,1022 0.237,1023 0.584,1024 0.704,1025 0.782,1026 0.817,1027 0.858,1028 5.298,1029 1.879,1030 6.232,1031 6.231,1032 4.812,1033 5.273,1034 2.565,1035 7.109,1036 4.816,1037 6.549,1038 1.879,1039 7.847,1040 5.321,1041 4.745,1042 5.231,1044 8.349,1045 4.766,1046 7.893,1047 1.674,1048 9.567,1049 5.321,1050 6.55,1051 7.421,1052 2.889,1053 11.324,1054 6.559,1055 9.264,1056 1.495,1057 11.345,1058 4.488,1059 7.209,1060 8.086,1062 13.274,1063 7.236,1064 10.66,1065 1.077,1066 13.158,1067 3.318,1068 8.587,1069 9.829,1070 3.317,1071 15.855,1072 8.607,1073 12.074,1074 1,1075 14.993,1076 2.637,1077 9.54,1078 10.819,1080 18.069,1081 9.574,1082 13.501,1083 1,1084 16.842,1085 2.51,1086 10.775,1087 12.374,1088 3.78,1089 20.53,1090 10.806,1091 3.31,1092 0.751,1093 18.702,1094 2.136,1095 11.852,1096 13.53,1098 22.853,1099 11.894,1100 3.309,1101 11.394,1102 20.57,1103 1.869,1104 13.04,1105 14.994,1106 4.257,1107 25.277,1108 13.083,1109 3.037,1110 11.394,1111 22.443,1112 4.057,1113 14.17,1114 16.241,1116 27.649,1117 14.222,1118 2.79,1119 9.865,1120 24.322,1121 3.841,1122 15.345,1123 17.66,1124 4.74,1125 30.065,1126 15.4,1127 2.717,1128 9.17,1129 26.205,1130 3.758,1131 16.501,1132 18.958,1134 32.462,1135 16.563,1136 2.662,1137 9.12,1138 28.091,1139 3.639,1140 17.675,1141 20.353,1142 5.226,1143 34.878,1144 17.742,1145 2.128,1146 8.839,1147 29.98,1148 3.055,1149 18.844,1150 21.682,1152 37.288,1153 18.917,1154 20732,1155 33588,1156 25.948,1157 46.705,1158 64.435,1159 67.288,1160 64.205,1161 62.087,1162 62.16,1163 78.857,1164 11.194,1165 189.184,1166 62.285,1167 5.484,1168 5.851,1169 6.645,1170 5.349,1171 5.31,1172 7.057,1173 2.555,1174 18.702,1175 5.34,1176 25.395,1177 1.572,1178 1.641,1179 1.566,1180 1.514,1181 1.516,1182 1.923,1183 0.273,1184 4.614,1185 1.519,1186 4.043,1187 4.068,1188 3.995,1189 3.96,1190 7.444,1191 3.964,1192 3.925,1193 3.951,1194 3.86,1195 3.839,1196 7.428,1197 3.839,1198 3.922,1199 3.946,1200 3.856,1201 3.823,1202 7.425,1203 3.826,1204 3.825,1205 3.859,1206 3.758,1207 3.757,1208 7.411,1209 3.753,1210 3.484,1211 3.535,1212 3.372,1213 3.351,1214 6.465,1215 3.35,1216 3.46,1217 3.507,1218 3.352,1219 3.326,1220 4.85,1221 3.326,1222 3.236,1223 3.257,1224 3.175,1225 3.073,1226 4.718,1227 3.094,1228 3.166,1229 3.187,1230 3.084,1231 2.933,1232 4.442,1233 2.958,1234 0.109,1235 0.094,1236 0.167,1237 0.105,1238 0.081,1239 4.484,1240 0.099,1241 3.851,1242 0.031,1243 6.843,1244 0.278,1245 4.319,1246 0.081,1247 3.31,1248 4.057,1249 1.277,1250 11.394,1251 3.34,1252 1.975,1253 1.954,1254 2.077,1255 2.075,1256 1.38,1257 2.074,1258 1.909,1259 1.881,1260 2.064,1261 2.034,1262 1.365,1263 2.043,1264 1.904,1265 1.877,1266 2.044,1267 2.015,1268 1.148,1269 2.025,1270 1.823,1271 1.793,1272 1.944,1273 1.918,1274 1.028,1275 1.93,1276 1.465,1277 1.42,1278 1.651,1279 1.641,1280 0.735,1281 1.648,1282 1.439,1283 1.394,1284 1.628,1285 1.612,1286 0.726,1287 1.62,1288 1.16,1289 1.138,1290 1.417,1291 1.371,1292 0.564,1293 1.355,1294 1.081,1295 1.045,1296 1.417,1297 1.342,1298 0.557,1299 1.335,1300 4.419,1302 5.79,1304 7.34,1306 8.975,1308 10.653,1310 7.608,1314 10.501,1315 1.175,1317 3.008,1322 -0.718,1326 44.519,1327 101.86,1328 250.637,1329 302.256,1330 335.501,1331 350.52,1332 368.03,1333 133.223,1334 7.989,1335 112.9,1336 112.9,1337 24,1338 12.888,1339 4.322,1340 3.807,1341 67.103,1342 169,1343 176,1344 0.178,1345 274.073,1346 505.25,1347 660.498,1348 33323,1350 27.665,1351 0.728,1352 0.582,1353 27.665,1354 22.129,1355 17.85,1356 0.435,1357 0.308,1358 12.51,1359 17.384,1360 11.974,1361 10.024,1362 17.85,1363 12.615,1364 17.887,1365 0.293,1366 0.189,1367 17.887,1368 11.553,1369 13.481,1370 0.18,1371 0.09,1372 13.481,1373 6.776,1374 11.95,1375 0.123,1376 0.05,1377 11.95,1378 4.829,1379 7.953,1380 0.071,1381 0.027,1382 7.953,1383 3.028,1384 0.279,1385 110.894,1386 0.196,1387 34.262,1388 0.492,1389 204,1390 589.07,1391 217.96,1392 572.97,1393 758.19,1394 528,1395 238,1396 534.012,1397 252.323,1398 549.401,1399 795.62,1400 512,1401 4.251}
{0 CHEMBL1987894,1 1.624,2 11.871,3 4.934,4 24.347,5 122.926,6 8.481,7 0.529,8 4.036,9 4.117,10 3.846,11 3.694,12 5.2,13 3.654,14 4.528,15 4.644,16 4.145,17 4.062,18 5.92,19 4.017,20 4.786,21 4.945,22 4.251,23 4.194,24 6.045,25 4.127,26 4.85,27 5.02,28 4.199,29 4.144,30 6.155,31 4.072,32 4.783,33 4.962,34 4.19,35 4.081,36 6.097,37 4.016,38 4.684,39 4.822,40 4.201,41 4.074,42 6.036,43 4.021,44 4.749,45 4.886,46 4.136,47 4.086,48 6.257,49 4.04,50 4.707,51 4.866,52 3.987,53 4.045,54 6.054,55 3.968,56 0.112,57 0.686,58 10.839,59 4.957,60 21.34,61 5.274,62 0.277,63 1.087,64 15.469,65 7.896,66 54.368,67 9.221,68 0.291,69 1.434,70 25.427,71 10.814,72 42.242,73 12.265,74 0.447,75 1.509,76 30.074,77 11.584,78 78.016,79 12.35,80 0.514,81 1.403,82 28.301,83 10.564,84 86.039,85 11.641,86 0.432,87 1.276,88 27.448,89 10.247,90 71.363,91 10.268,92 0.639,93 1.306,94 26.809,95 10.2,96 137.356,97 10.185,98 0.477,99 1.267,100 23.825,101 9.699,102 86.548,103 10.536,104 27,105 49,106 0.267,107 0.588,108 0.726,109 0.833,110 0.846,111 0.852,112 3.472,113 0.986,114 -4.55,115 -4.48,116 -4.22,120 47.1,121 1,122 1,136 1,139 1,143 12,144 3,145 3,158 2,174 14,176 3,177 3,182 5,185 16,189 11,192 1,194 5,197 13,201 14,204 1,206 2,209 6,213 1,214 11,218 1,219 2,222 9,227 11,230 2,232 1,235 14,239 2,240 7,245 3,247 18,252 6,255 1,257 3,260 16,264 6,267 1,269 3,271 14,274 1728,275 20.703,276 20.703,277 20.703,278 20.703,279 20.703,280 17.831,281 19.89,282 11.968,283 20.943,284 16.699,285 16.699,286 16.699,287 16.699,288 16.699,289 12.195,290 21.458,291 5.612,292 17.121,293 4.049,294 2.093,295 1.25,296 0.603,297 0.525,298 0.485,299 4.165,306 1,307 1,308 790,309 3.674,313 355.451,317 141.213,320 1.682,321 45.706,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 67,333 368,334 4.89,335 4.69,336 7.314,337 4.344,338 3.412,339 4.766,340 0.4,341 12.549,342 3.24,343 4.536,344 3.656,345 6.777,346 4.161,347 3.172,348 4.147,350 11.07,351 3.047,352 4.036,353 2.925,354 5.931,355 3.625,356 2.655,357 3.627,359 8.226,360 2.574,361 3.895,362 2.788,363 5.511,364 3.49,365 2.491,366 3.445,368 7.191,369 2.487,370 3.772,371 2.68,372 5.345,373 3.366,374 2.377,375 3.153,377 6.889,378 2.35,379 3.583,380 2.464,381 5.261,382 3.135,383 2.157,384 2.865,386 6.483,387 2.101,388 3.36,389 2.186,390 4.873,391 2.934,392 1.966,393 2.647,395 5.571,396 1.892,397 3.106,398 1.805,399 4.769,400 2.634,401 1.637,402 2.313,404 4.841,405 1.629,406 2.916,407 1.627,408 3.975,409 2.421,410 1.425,411 2.067,413 3.199,414 1.418,415 2.558,416 1.327,417 3.678,418 2.029,419 1.035,420 1.53,422 2.671,423 1.027,424 2.5,425 1.156,426 3.454,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.324,443 1,444 3.414,445 1.672,446 0.646,447 0.974,449 1.653,450 0.654,451 1.653,452 0.728,453 3.175,454 1.487,455 0.492,456 0.552,458 0.756,459 0.488,460 1.482,461 0.442,462 2.846,463 1.059,464 0.11,465 0.145,467 0.273,468 0.104,469 14.967,470 0.483,471 0.889,472 0.029,473 45.25,474 1.46,475 26.5,476 0.855,477 18.75,478 0.605,479 22.427,480 0.723,481 31.833,482 0.624,483 38.162,484 1.231,485 8.839,486 0.285,487 6.03,488 0.195,489 0.122,490 0.056,491 0.301,496 0.581,497 1.069,498 0.791,499 1.066,500 0.707,501 0.837,502 0.522,503 1.102,504 0.708,505 0.941,506 0.524,507 0.93,508 0.838,509 1.152,510 0.962,511 1.057,512 0.741,513 0.972,514 1.271,515 1.123,516 1.162,517 1.087,518 1.249,519 1.011,520 1.2,521 0.927,522 0.962,523 0.879,524 1.286,525 0.826,526 1.213,527 1.052,528 1.292,529 1.182,530 1.304,531 0.916,532 1.443,533 0.975,534 1.256,535 1.022,536 1.472,537 0.956,538 1.202,539 0.986,540 1.153,541 1.017,542 1.166,543 1.08,544 7.5,545 0.182,546 4.222,547 2.438,548 2.142,549 1.507,550 1.034,551 0.578,552 0.41,553 0.301,554 12232,555 35848,556 2.057,557 39.2,558 5,559 13,562 2,567 1.742,568 1.908,569 3.494,570 0.193,575 82.816,576 1.624,577 3.58,578 4.422,579 5.069,580 5.148,581 5.187,582 2.994,583 4.414,584 4.921,585 3.63,586 1687.74,587 8.628,588 23502.2,590 1,593 289.294,594 1.595,595 4.87,596 0.221,597 0.007,598 0.086,599 0.047,600 0.046,601 0.033,602 0.022,603 0.012,604 0.01,605 0.009,606 0.492,607 0.17,608 1,609 0.744,610 159.532,611 0.04,612 -0.013,613 0.175,614 -0.009,615 -0.153,616 0.06,617 0.22,618 -0.088,619 0.084,620 -0.023,621 0.196,622 -0.033,623 -0.004,624 -0.115,625 0.027,626 -0.059,627 0.033,628 -0.023,629 -0.147,630 -0.086,631 -0.076,632 -0.064,633 -0.105,634 -0.062,635 -0.051,636 0.107,637 0.118,638 0.134,639 -0.081,640 0.133,641 -0.046,642 0.008,643 -0.063,644 -0.053,645 -0.079,646 0.024,647 -0.094,648 0.039,649 -0.207,650 -0.011,651 0.005,652 -0.05,653 -0.126,654 0.013,655 -0.217,656 -0.063,657 -0.072,658 -0.147,659 4.892,660 5.955,661 0.71,662 30.733,663 1.011,664 1.108,665 3.325,666 11.054,667 0.712,668 3.555,669 3.912,670 4.174,671 4.419,672 4.7,673 4.796,674 4.927,675 5.017,676 5.142,677 5.193,678 6.707,679 0.683,680 432.53,681 3.555,682 5.118,683 5.974,684 6.866,685 7.742,686 8.64,687 9.525,688 10.426,689 11.316,690 12.221,691 3.9,696 1,700 1,709 12,714 6,716 18,721 1,729 1,734 1,738 51,739 23,740 3,741 34,743 54,744 24,745 18,746 6,747 12,748 4,752 4,753 5,759 1,766 1,768 22,769 2,772 5,776 1,778 3,780 1,781 1,782 3,789 20,790 6,791 2,792 7,793 1,797 2,803 0.75,804 4,823 4,827 1,845 2,855 3,857 1,859 1,862 31,865 1,868 1,869 1,871 1,886 7.8,888 1,889 3,893 16.25,894 9.4,895 6.736,896 3.05,898 3.739,899 1.482,900 0.998,901 5.664,902 11.497,903 3.892,904 4.538,905 5.107,906 5.646,907 6.23,908 6.497,909 6.89,910 7.192,911 7.61,912 7.944,913 1,914 52,915 11.812,917 5.457,918 8.013,919 21.484,921 17.92,924 2.513,925 77.917,928 1,929 211.88,930 164.87,931 33.191,933 112.141,935 5.807,936 159.062,937 324.021,938 33.191,939 8.825,940 2.535,941 128.999,942 140.799,943 29.044,945 211.88,947 211.88,948 192.253,949 112.141,950 5.807,952 211.88,953 112.141,956 26.54,957 135.469,958 36.051,960 211.88,961 145.332,962 164.87,964 5.807,965 211.88,966 27.046,967 132.016,968 18.011,969 127.321,970 211.88,971 145.332,972 164.87,973 0.59,974 0.345,975 0.177,976 0.102,977 24,978 11,979 0.093,980 5,981 1,982 1.091,983 4.1,984 287.594,985 0.091,986 22,987 143.58,992 1,993 20.891,994 8.406,995 4.397,997 145.332,998 19.586,1003 2.615,1005 60.694,1006 522.081,1007 48,1011 -3.976,1013 38.843,1015 1.44,1016 4.056,1017 0.1,1020 51.542,1021 56.491,1022 0.286,1023 0.631,1024 0.78,1025 0.894,1026 0.908,1027 0.914,1028 5.139,1029 1.637,1030 5.999,1031 5.571,1032 4.595,1033 5.226,1034 0.278,1035 6.86,1036 4.546,1037 6.395,1038 1.425,1039 7.598,1040 4.841,1041 4.369,1042 5.247,1044 8.042,1045 4.248,1046 7.749,1047 1.035,1048 9.309,1049 3.199,1050 6.282,1051 7.537,1052 0.05,1053 11.092,1054 6.159,1055 9.144,1056 1,1057 11.088,1058 2.671,1059 6.858,1060 8.37,1062 13.099,1063 6.65,1064 10.574,1065 1,1066 12.912,1067 2.275,1068 8.294,1069 10.177,1070 0.008,1071 15.756,1072 8.075,1073 12.029,1074 0.646,1075 14.769,1076 2.275,1077 9.22,1078 11.382,1080 18.074,1081 8.92,1082 13.506,1083 0.492,1084 16.651,1085 1.653,1086 10.491,1087 13.013,1088 0.001,1089 20.622,1090 10.164,1091 3.412,1092 0.11,1093 18.551,1094 0.756,1095 11.573,1096 14.395,1098 23.057,1099 11.173,1100 3.172,1101 12.549,1102 20.466,1103 0.273,1104 12.79,1105 15.963,1107 25.575,1108 12.351,1109 2.655,1110 11.07,1111 22.393,1112 4.766,1113 13.941,1114 17.43,1116 28.056,1117 13.437,1118 2.491,1119 8.226,1120 24.33,1121 4.147,1122 15.144,1123 18.978,1125 30.567,1126 14.594,1127 2.377,1128 7.191,1129 26.274,1130 3.627,1131 16.325,1132 20.487,1134 33.067,1135 15.716,1136 2.157,1137 6.889,1138 28.225,1139 3.445,1140 17.528,1141 22.031,1143 35.579,1144 16.869,1145 1.966,1146 6.483,1147 30.181,1148 3.153,1149 18.724,1150 23.561,1152 38.088,1153 18.009,1154 11756,1155 20331,1156 22.364,1157 36.33,1158 51.869,1159 53.366,1160 53.077,1161 51.245,1162 51.15,1163 70.463,1164 0.8,1165 151.844,1166 50.025,1167 5.77,1168 6.69,1169 6.993,1170 5.402,1171 5.412,1172 7.766,1173 0.8,1174 20.17,1175 5.24,1176 16.263,1177 1.526,1178 1.57,1179 1.561,1180 1.507,1181 1.504,1182 2.072,1183 0.024,1184 4.466,1185 1.471,1186 4.119,1187 4.112,1188 4.739,1189 4.096,1190 7.719,1191 4.035,1192 3.97,1193 3.98,1194 3.97,1195 3.922,1196 7.427,1197 3.906,1198 3.88,1199 3.906,1200 3.822,1201 3.808,1202 6.999,1203 3.808,1204 3.693,1205 3.689,1206 3.746,1207 3.627,1208 6.471,1209 3.559,1210 3.501,1211 3.531,1212 3.442,1213 3.394,1214 4.806,1215 3.391,1216 3.3,1217 3.363,1218 3.122,1219 3.141,1220 4.686,1221 3.113,1222 3.027,1223 3.057,1224 3.001,1225 2.891,1226 4.655,1227 2.889,1228 3.015,1229 3.035,1230 2.94,1231 2.81,1232 4.382,1233 2.832,1234 0.144,1235 0.138,1236 0.215,1237 0.128,1238 0.1,1239 4.89,1240 0.14,1241 4.69,1242 0.012,1243 7.314,1244 0.369,1245 4.344,1246 0.095,1247 3.412,1248 4.766,1249 0.4,1250 12.549,1251 3.24,1252 2.017,1253 2.015,1254 2.064,1255 2.092,1256 1.245,1257 2.107,1258 1.947,1259 1.934,1260 2.038,1261 2.018,1262 1.178,1263 2.036,1264 1.867,1265 1.842,1266 1.975,1267 1.962,1268 1.047,1269 1.968,1270 1.583,1271 1.584,1272 1.722,1273 1.718,1274 0.93,1275 1.766,1276 1.466,1277 1.437,1278 1.623,1279 1.617,1280 0.692,1281 1.626,1282 1.258,1283 1.22,1284 1.22,1285 1.459,1286 0.455,1287 1.486,1288 0.968,1289 0.943,1290 1.181,1291 1.186,1292 0.244,1293 1.161,1294 0.923,1295 0.887,1296 1.181,1297 1.135,1298 0.218,1299 1.143,1300 4.234,1302 5.58,1304 7.127,1306 8.763,1308 10.446,1310 1.993,1314 9.46,1315 0.805,1317 2.994,1326 34.83,1327 82.816,1328 182.559,1329 225.519,1330 258.539,1331 262.539,1332 264.539,1333 74.256,1334 7.758,1335 95.83,1336 104.21,1337 24,1338 12.743,1339 4.585,1340 3.907,1341 49.177,1342 120,1343 150,1344 0.195,1345 216.989,1346 385.61,1347 521.213,1348 24935,1350 22.01,1351 0.71,1352 0.566,1353 22.26,1354 17.557,1355 14.869,1356 0.437,1357 0.329,1358 9.769,1359 13.737,1360 9.407,1361 7.83,1362 15.69,1363 11.17,1364 13.907,1365 0.284,1366 0.177,1367 15.208,1368 8.658,1369 11.594,1370 0.181,1371 0.098,1372 12.685,1373 6.273,1374 9.287,1375 0.113,1376 0.052,1377 10.3,1378 4.273,1379 7.82,1380 0.072,1381 0.028,1382 8.758,1383 3.094,1384 0.301,1385 100.371,1386 0.211,1387 28.847,1388 0.547,1389 166,1390 508.195,1391 215.17,1392 518.55,1393 702.16,1394 476,1395 196,1396 487.954,1397 253.436,1398 535.615,1399 782.01,1400 503,1401 5.935}
{0 CHEMBL1989225,1 1.692,2 9.524,3 3.604,4 12.985,5 83.173,6 8.411,7 0.478,8 3.698,9 3.821,10 3.366,11 3.273,12 4.834,13 3.251,14 4.208,15 4.371,16 3.715,17 3.665,18 5.301,19 3.611,20 4.457,21 4.671,22 3.783,23 3.734,24 5.56,25 3.645,26 4.412,27 4.644,28 3.628,29 3.524,30 5.579,31 3.451,32 4.19,33 4.44,34 3.308,35 3.221,36 5.317,37 3.171,38 3.968,39 4.188,40 3.196,41 3.113,42 5.171,43 3.079,44 3.879,45 4.082,46 3.267,47 3.111,48 5.185,49 3.073,50 3.763,51 3.947,52 3.224,53 3.139,54 4.905,55 3.076,56 0.088,57 0.556,58 6.18,59 3.046,60 7.156,61 3.871,62 0.14,63 0.857,64 12.124,65 5.285,66 15.963,67 6.988,68 0.308,69 0.98,70 20.198,71 7.073,72 36.154,73 9.562,74 0.419,75 0.912,76 22.212,77 5.788,78 44.469,79 7.781,80 0.364,81 0.724,82 17.018,83 4.161,84 39.89,85 5.6,86 0.271,87 0.571,88 13.227,89 3.487,90 34.893,91 4.324,92 0.283,93 0.524,94 11.814,95 3.406,96 39.558,97 4.2,98 0.158,99 0.49,100 9.495,101 3.347,102 19.274,103 4.324,104 5,105 31,106 0.307,107 0.688,108 0.797,109 0.868,110 0.898,111 0.898,112 3.102,113 0.949,114 -4.18,115 -4.12,116 -3.9,120 41.7,122 4,143 4,144 2,145 1,147 1,153 1,156 1,159 1,170 2,174 8,177 3,180 1,182 1,185 10,188 1,189 4,192 1,193 1,194 4,197 6,200 1,201 6,204 2,206 4,209 1,213 1,214 5,219 5,227 4,232 3,235 1,240 5,245 1,247 2,252 2,257 3,260 6,264 3,269 1,271 7,274 545,275 14.397,276 14.397,277 14.397,278 14.397,279 14.397,280 12.697,281 12.065,282 8.655,283 14.616,284 11.343,285 11.343,286 11.343,287 11.343,288 11.343,289 8.76,290 7.207,291 4.071,292 11.72,293 3.478,294 1.378,295 0.778,296 0.389,297 0.222,298 0.222,299 3.785,303 1,305 1,306 1,307 1,308 434,309 2.915,312 45.439,313 127.755,316 85.158,320 1.401,321 19.004,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 45.333,333 200,334 4.484,335 3.613,336 6.679,337 4.12,338 3.134,339 4.154,340 0.98,341 10.751,342 3.085,343 4.185,344 3.128,345 6.021,346 3.736,347 2.793,348 3.814,350 8.547,351 2.611,352 3.684,353 3.062,354 5.622,355 3.373,356 2.376,357 2.941,359 7.24,360 2.358,361 3.125,362 2.122,363 4.499,364 2.641,365 1.683,366 2.292,368 4.32,369 1.609,370 2.862,371 1.962,372 4.226,373 2.529,374 1.546,375 2.012,377 3.934,378 1.517,379 2.787,380 1.674,381 3.984,382 2.467,383 1.474,384 1.838,386 3.465,387 1.46,388 2.754,389 1.621,390 3.609,391 2.345,392 1.414,393 1.81,395 2.991,396 1.24,397 2.524,398 1.301,399 3.567,400 2.102,401 1.122,402 1.404,404 2.649,405 1.097,406 2.319,407 1.178,408 3.279,409 1.874,410 0.884,411 1.252,413 1.988,414 0.869,415 1.688,416 0.673,417 3.023,418 1.439,419 0.455,420 0.548,422 1.078,423 0.444,424 1.329,425 0.538,426 2.522,427 0.992,428 0.042,429 0.051,431 0.092,432 0.035,433 0.958,434 0.287,435 2,436 0.393,437 -0.485,438 -0.636,440 -1.063,441 -0.376,442 0.622,443 -0.518,444 2,445 0.204,446 -0.799,447 -0.9,449 -1.904,450 -0.789,451 0.423,452 -0.629,453 2,454 0.128,455 -0.866,456 -0.967,458 -2.035,459 -0.842,460 0.273,461 -0.695,462 1.916,463 0.112,464 -0.882,465 -1.288,467 -2.141,468 -0.887,469 10.148,470 0.483,471 0.418,472 0.02,473 26,474 1.238,475 13,476 0.619,477 13,478 0.619,479 15.965,480 0.76,481 22.252,482 0.618,483 16.475,484 0.785,485 5.085,486 0.242,487 5.169,488 0.246,489 0.103,491 0.296,496 0.59,497 0.993,498 0.595,499 0.853,500 0.506,501 0.839,502 0.631,503 1.261,504 0.688,505 1.026,506 0.564,507 1.001,508 0.727,509 1.129,510 0.836,511 1.019,512 0.745,513 1.001,514 1.21,515 1.124,516 1.164,517 1.104,518 1.109,519 1.067,520 1.516,521 0.974,522 0.938,523 0.84,524 1.61,525 0.878,526 1.911,527 0.883,528 1.015,529 0.725,530 2.189,531 0.78,532 1.487,533 0.804,534 0.849,535 0.737,536 1.765,537 0.769,538 1.016,539 0.986,540 0.816,541 0.9,542 1.184,543 0.906,544 3,545 0.037,546 2.667,547 1.444,548 0.809,549 0.288,550 0.298,551 0.172,552 0.163,553 0.108,554 4782,555 13682,556 2.102,557 41.7,558 6,559 4,561 1,562 2,563 2,567 1.626,568 2,569 3.226,570 0.378,572 1,574 1,575 60.911,576 1.692,577 3.792,578 4.392,579 4.781,580 4.948,581 4.948,582 2.643,583 4.392,584 4.37,585 3.371,586 707.941,587 7.455,588 7745.27,589 1,590 1,591 1,592 1,593 186.117,594 1.268,595 4.338,596 0.13,597 0.003,598 0.086,599 0.048,600 0.034,601 0.016,602 0.018,603 0.01,604 0.01,605 0.007,606 0.362,607 0.5,608 1,609 0.532,610 96.153,611 0.067,612 0.205,613 0.016,614 0.071,615 0.023,616 0.046,617 0.055,618 -0.171,619 0.018,620 -0.077,621 0.054,622 -0.067,623 0.152,624 -0.156,625 0.076,626 -0.045,627 0.122,628 -0.022,629 -0.011,630 -0.124,631 -0.11,632 -0.189,633 0.017,634 -0.151,635 -0.194,636 0.03,637 -0.048,638 0.018,639 -0.194,640 0.011,641 -0.412,642 0.113,643 -0.095,644 0.166,645 -0.331,646 0.104,647 -0.099,648 0.189,649 0.071,650 0.19,651 0.003,652 0.14,653 -0.036,654 0.025,655 0.068,656 0.075,657 -0.082,658 0.047,659 1.936,660 5.124,661 0.714,662 14.907,663 1.01,664 1.129,665 2.95,666 8.703,667 0.692,668 3.178,669 3.466,670 3.738,671 3.951,672 4.06,673 3.989,674 4.007,675 4.043,676 3.932,677 4.007,678 5.744,679 0.661,680 302.79,681 3.178,682 4.691,683 5.533,684 6.392,685 7.249,686 8.113,687 8.977,688 9.844,689 10.71,690 11.58,691 11.1,698 1,699 1,700 1,701 1,709 4,710 1,711 1,714 5,716 11,737 1,738 36,739 13,740 1,741 23,743 38,744 15,745 9,746 2,747 4,748 2,752 3,753 4,754 1,755 1,763 4,766 4,768 11,769 4,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 15,790 4,791 2,792 6,793 1,797 4,803 0.667,804 1,814 1,822 1,823 2,826 1,855 2,860 1,862 21,869 4,871 1,885 1,886 2.8,889 1,893 10.5,894 6.376,895 4.694,896 2.252,898 2.559,899 1.384,900 0.997,901 4.251,902 9.218,903 3.45,904 4.003,905 4.566,906 5.083,907 5.39,908 5.474,909 5.622,910 5.838,911 5.986,912 6.352,913 1,914 30,915 7.736,917 3.274,918 7.791,919 14.74,921 12.048,924 2.291,925 48.111,929 153.024,930 77.18,931 67.877,932 39.149,933 25.145,936 77.18,937 217.318,938 67.877,940 28.026,941 37.905,942 67.331,943 45.955,944 2.757,945 141.253,946 39.149,947 153.024,948 145.058,949 25.145,950 39.149,952 153.024,953 25.145,956 64.109,957 55.238,958 64.859,960 153.024,961 93.022,962 116.329,965 153.024,966 30.228,967 46.952,968 34.551,969 97.62,970 153.024,971 93.022,972 116.329,973 0.573,974 0.343,975 0.184,976 0.09,977 15,978 6,979 0.079,980 3,981 1,982 1.133,983 3.453,984 154.862,985 0.133,986 15,987 92.239,993 14.146,994 6.311,995 3.106,997 76.359,998 7.307,999 4.199,1000 2.814,1003 3.884,1005 34.551,1006 362.376,1007 30.5,1013 12.124,1015 1.531,1016 3.95,1017 -0.269,1020 36.36,1021 40.638,1022 0.327,1023 0.733,1024 0.85,1025 0.925,1026 0.957,1027 0.957,1028 4.661,1029 1.122,1030 5.493,1031 2.991,1032 4.143,1033 4.687,1034 1.072,1035 6.279,1036 4.08,1037 5.847,1038 0.884,1039 7.036,1040 2.649,1041 3.611,1042 4.388,1044 7.168,1045 3.487,1046 7.139,1047 0.455,1048 8.688,1049 1.988,1050 5.7,1051 6.835,1052 1.045,1053 10.277,1054 5.587,1055 8.472,1056 0.042,1057 10.407,1058 1.078,1059 6.066,1060 7.446,1062 12.059,1063 5.898,1064 9.843,1065 -0.485,1066 12.169,1067 0.092,1068 7.577,1069 9.305,1070 1.019,1071 14.663,1072 7.414,1073 11.241,1074 -0.799,1075 13.962,1076 -1.063,1077 8.356,1078 10.332,1080 16.786,1081 8.151,1082 12.659,1083 -0.866,1084 15.775,1085 -1.904,1086 9.631,1087 11.943,1088 0.993,1089 19.229,1090 9.423,1091 3.134,1092 -0.882,1093 17.604,1094 -2.035,1095 10.599,1096 13.165,1098 21.491,1099 10.36,1100 2.793,1101 10.751,1102 19.443,1103 -2.141,1104 11.778,1105 14.666,1106 0.967,1107 23.881,1108 11.532,1109 2.376,1110 8.547,1111 21.291,1112 4.154,1113 12.831,1114 15.98,1116 26.202,1117 12.563,1118 1.683,1119 7.24,1120 23.146,1121 3.814,1122 13.974,1123 17.431,1124 0.942,1125 28.577,1126 13.696,1127 1.546,1128 4.32,1129 25.007,1130 2.941,1131 15.066,1132 18.791,1134 30.925,1135 14.773,1136 1.474,1137 3.934,1138 26.872,1139 2.292,1140 16.197,1141 20.22,1142 0.917,1143 33.296,1144 15.893,1145 1.414,1146 3.465,1147 28.74,1148 2.012,1149 17.308,1150 21.603,1152 35.657,1153 16.991,1154 4589,1155 7896,1156 15.603,1157 24.904,1158 34.307,1159 35.41,1160 35.104,1161 34.002,1162 33.849,1163 44.234,1164 1.96,1165 94.11,1166 32.648,1167 5.429,1168 5.613,1169 6.372,1170 5.145,1171 5.134,1172 7.154,1173 1.96,1174 17.796,1175 5.085,1176 7.801,1177 1.492,1178 1.54,1179 1.526,1180 1.478,1181 1.472,1182 1.923,1183 0.085,1184 4.092,1185 1.419,1186 4.032,1187 4.081,1188 4.022,1189 3.899,1190 7.429,1191 3.909,1192 3.909,1193 3.935,1194 3.966,1195 3.852,1196 4.982,1197 3.846,1198 3.554,1199 3.619,1200 3.462,1201 3.345,1202 4.936,1203 3.361,1204 3.341,1205 3.431,1206 3.307,1207 3.093,1208 4.61,1209 3.118,1210 3.089,1211 3.166,1212 3.231,1213 2.912,1214 4.329,1215 2.903,1216 2.982,1217 3.033,1218 2.969,1219 2.801,1220 4.051,1221 2.786,1222 2.878,1223 2.922,1224 2.801,1225 2.754,1226 3.651,1227 2.76,1228 2.593,1229 2.694,1230 2.526,1231 2.375,1232 3.532,1233 2.38,1234 0.195,1235 0.157,1236 0.29,1237 0.179,1238 0.136,1239 4.484,1240 0.181,1241 3.613,1242 0.043,1243 6.679,1244 0.467,1245 4.12,1246 0.134,1247 3.134,1248 4.154,1249 0.98,1250 10.751,1251 3.085,1252 1.897,1253 1.875,1254 2.037,1255 1.986,1256 1.388,1257 2,1258 1.851,1259 1.81,1260 1.986,1261 1.963,1262 1.077,1263 1.982,1264 1.501,1265 1.449,1266 1.614,1267 1.795,1268 0.792,1269 1.743,1270 1.217,1271 1.143,1272 1.439,1273 1.524,1274 0.628,1275 1.488,1276 1.102,1277 1.036,1278 1.336,1279 1.294,1280 0.379,1281 1.312,1282 0.975,1283 0.89,1284 1.244,1285 1.243,1286 0.289,1287 1.268,1288 0.868,1289 0.824,1290 1.11,1291 1.068,1292 0.165,1293 1.079,1294 0.763,1295 0.678,1296 0.983,1297 1.012,1299 1.042,1300 3.85,1302 5.142,1303 2.398,1304 6.635,1305 4.727,1306 8.218,1307 6.843,1308 9.846,1311 6.014,1315 4.046,1317 2.512,1326 23.789,1327 60.911,1328 136.508,1329 158.117,1330 172.117,1331 178.117,1332 178.117,1333 32.588,1334 6.659,1335 70.14,1336 70.14,1337 17,1338 12.124,1339 3.807,1340 3.087,1341 32.407,1342 73,1343 59,1344 0.217,1345 151.49,1346 258.7,1347 361.395,1348 6733,1349 2.8,1350 14.656,1351 0.698,1352 0.579,1353 15.156,1354 12.152,1355 10.254,1356 0.446,1357 0.316,1358 6.849,1359 9.628,1360 6.702,1361 5.547,1362 10.543,1363 7.273,1364 8.88,1365 0.286,1366 0.173,1367 9.25,1368 5.359,1369 7.643,1370 0.186,1371 0.095,1372 8.023,1373 3.889,1374 6.224,1375 0.122,1376 0.052,1377 6.492,1378 2.641,1379 4.644,1380 0.081,1381 0.03,1382 4.834,1383 1.736,1384 0.344,1385 67.139,1386 0.253,1387 21.109,1388 0.58,1389 108,1390 325.895,1391 132.284,1392 348.461,1393 464.79,1394 324,1395 126,1396 321.05,1397 147.502,1398 333.436,1399 483.28,1400 314,1401 4.797}
{0 CHEMBL1990342,1 1.762,2 10.269,3 0.598,4 0.357,5 91.191,6 8.859,7 0.214,8 3.827,9 3.916,10 3.514,11 3.327,12 5.154,13 3.366,14 4.331,15 4.461,16 3.887,17 3.701,18 5.647,19 3.731,20 4.53,21 4.673,22 4.034,23 3.826,24 5.932,25 3.858,26 4.641,27 4.801,28 3.988,29 3.751,30 6.219,31 3.788,32 4.538,33 4.712,34 3.761,35 3.575,36 6.138,37 3.604,38 4.324,39 4.506,40 3.648,41 3.525,42 5.827,43 3.516,44 4.32,45 4.506,46 3.559,47 3.552,48 5.727,49 3.518,50 4.327,51 4.526,52 3.508,53 3.534,54 5.562,55 3.492,56 0.207,57 0.601,58 5.555,59 3.326,60 28.966,61 3.368,62 0.551,63 0.924,64 12.243,65 5.325,66 61.672,67 5.892,68 0.554,69 1.117,70 14.845,71 6.456,72 76.483,73 7.348,74 0.883,75 1.151,76 18.976,77 6.578,78 148.272,79 7.238,80 1.032,81 1.011,82 18.674,83 5.131,84 175.575,85 5.311,86 0.597,87 0.87,88 13.951,89 5.031,90 88.214,91 6.176,92 0.554,93 0.841,94 14.313,95 5.501,96 94.531,97 6.652,98 0.507,99 0.811,100 15.712,101 6.103,102 80.018,103 7.539,104 42,105 40,106 0.309,107 0.737,108 0.857,109 0.886,110 0.886,111 0.886,112 3.304,113 0.825,114 -1.93,115 -1.98,116 -1.98,120 42.5,121 1,126 3,137 2,143 3,144 2,145 1,157 1,159 4,170 1,174 6,176 3,177 7,182 2,185 5,188 2,189 12,192 1,194 3,197 2,200 3,201 10,204 2,206 3,213 2,214 1,217 3,219 1,222 2,226 2,227 4,230 4,232 1,235 6,239 1,240 4,243 1,244 1,245 1,247 5,252 7,260 2,263 2,264 7,269 2,274 994,275 17.43,276 17.43,277 17.43,278 17.43,279 17.43,280 15.805,281 20.841,282 10.004,283 17.712,284 13.617,285 13.617,286 13.617,287 13.617,288 13.617,289 10.817,290 21.027,291 4.473,292 14.007,293 3.56,294 1.12,295 0.438,296 0.269,297 0.269,298 0.269,299 3.979,306 1,307 1,308 562,309 3.162,312 64.71,313 158.187,316 111.055,320 1.367,321 47.881,324 1,325 0.83,326 1,327 0.6,329 1,330 1,331 0.78,332 59,333 267,334 4.619,335 4.157,336 6.939,337 4.271,338 3.286,339 4.096,340 2.035,341 11.548,342 3.231,343 4.407,344 3.843,345 6.49,346 4.053,347 3.065,348 4.032,349 1.727,350 10.093,351 3.022,352 3.892,353 3.733,354 5.947,355 3.452,356 2.47,357 3.174,358 1.349,359 8.033,360 2.435,361 3.742,362 3.339,363 5.938,364 3.377,365 2.4,366 3.034,367 0.8,368 7.958,369 2.328,370 3.643,371 2.864,372 5.365,373 3.293,374 2.308,375 2.828,376 0.636,377 6.947,378 2.257,379 3.205,380 2.783,381 4.826,382 2.738,383 1.735,384 2.255,386 5.078,387 1.726,388 3.112,389 2.368,390 4.116,391 2.358,392 1.408,393 1.843,395 3.599,396 1.325,397 2.781,398 2.006,399 3.973,400 2.248,401 1.287,402 1.589,404 2.702,405 1.223,406 2.586,407 1.914,408 3.928,409 2.033,410 1.021,411 1.39,413 2.492,414 1.02,415 2.42,416 1.753,417 3.379,418 1.868,419 0.902,420 1.258,422 1.782,423 0.867,424 1.891,425 1.339,426 3.21,427 1.579,428 0.638,429 0.771,431 1.487,432 0.593,433 1.611,434 1.238,435 2.985,436 1.301,437 0.339,438 0.386,440 0.65,441 0.319,442 1.577,443 1.156,444 2.608,445 1.051,446 0.055,447 0.079,449 0.113,450 0.054,451 1.246,452 0.539,453 2.377,454 0.662,455 -0.33,456 -0.512,458 -0.564,459 -0.321,460 0.917,461 0.296,462 2.152,463 0.51,464 -0.525,465 -0.685,467 -1.196,468 -0.533,469 11.767,470 0.453,471 0.699,472 0.027,473 34,474 1.308,475 17,476 0.654,477 17,478 0.654,479 19.409,480 0.747,481 27.833,482 0.696,483 28.417,484 1.093,485 7.059,486 0.271,487 5.414,488 0.208,489 0.19,491 0.416,496 0.759,497 1.187,498 0.655,499 1.039,500 0.611,501 0.862,502 0.771,503 1.032,504 0.721,505 0.852,506 0.622,507 0.786,508 0.8,509 1.249,510 0.775,511 1.134,512 0.789,513 0.986,514 1.124,515 1.204,516 1.073,517 1.124,518 1.087,519 1.089,520 1.378,521 0.928,522 1.368,523 0.808,524 1.471,525 0.997,526 0.706,527 0.923,528 0.983,529 0.97,530 0.743,531 1.039,532 0.762,533 0.858,534 1.037,535 0.985,536 0.872,537 1.071,538 0.816,539 0.943,540 0.921,541 1.043,542 0.814,543 1.03,544 5,545 0.164,546 4,547 2.979,548 1.875,549 0.92,550 0.543,551 0.361,552 0.308,553 0.266,554 7385,555 28145,556 1.992,557 35,558 3,559 9,562 2,567 1.692,568 1.814,569 3.305,570 0.365,572 1,574 1,575 70.478,576 1.762,577 4.202,578 4.884,579 5.053,580 5.053,581 5.053,582 2.672,583 4.547,584 4.675,585 3.46,586 1124.59,587 8.105,588 13932,590 1,593 212.877,594 1.549,595 4.601,596 0.179,597 0.009,598 0.1,599 0.066,600 0.047,601 0.03,602 0.019,603 0.013,604 0.012,605 0.011,606 0.485,607 0.33,608 1,609 1.134,610 126.531,611 -0.08,612 -0.035,613 0.01,614 -0.011,615 -0.048,616 0.019,617 0.039,618 0.04,619 0.096,620 0.152,621 0.001,622 0.145,623 -0.009,624 -0.187,625 0.07,626 -0.148,627 -0.02,628 -0.046,629 -0.094,630 -0.194,631 -0.113,632 -0.194,633 -0.016,634 -0.172,635 -0.219,636 0.098,637 -0.356,638 0.064,639 -0.184,640 -0.124,641 0.104,642 0.123,643 -0.045,644 -0.02,645 0.081,646 -0.073,647 0.012,648 0.137,649 -0.088,650 0.015,651 -0.011,652 -0.047,653 -0.039,654 -0.035,655 0.089,656 0.005,657 -0.045,658 0.073,659 2.42,660 5.464,661 0.577,662 20.651,663 1.037,664 1.128,665 0.696,666 0.484,667 0.678,668 3.367,669 3.714,670 4.043,671 4.29,672 4.431,673 4.489,674 4.477,675 4.511,676 4.533,677 4.663,678 6.077,679 0.682,680 354.35,681 3.367,682 4.92,683 5.796,684 6.691,685 7.581,686 8.48,687 9.374,688 10.274,689 11.17,690 12.07,691 10,696 1,698 1,700 2,709 3,714 3,716 6,726 1,738 40,739 12,740 1,741 28,743 42,744 17,745 6,746 3,747 3,748 6,752 3,753 4,755 1,759 2,767 1,768 12,769 4,772 5,778 3,781 1,782 6,785 1,786 1,789 14,790 9,791 2,792 9,797 4,800 1,803 0.667,804 5,805 1,822 1,823 2,826 1,833 1,846 2,853 1,855 2,859 1,862 26,868 1,869 3,871 1,872 1,875 1,877 1,882 1,884 1,886 12.5,887 1,889 3,891 1,893 14.333,894 7.717,895 5.889,896 2.269,898 2.428,899 1.338,900 0.933,901 4.855,902 9.62,903 3.664,904 4.197,905 4.79,906 5.28,907 5.656,908 5.935,909 6.123,910 6.453,911 6.753,912 7.164,913 0.857,914 45,915 9.658,917 4.277,918 8.346,919 17.284,921 13.923,924 2.846,925 74,929 141.253,930 95.41,931 68.735,933 129.118,936 95.41,937 270.371,938 68.735,939 8.825,940 9.822,941 71.112,942 129.282,943 74.221,945 141.253,947 141.253,948 164.145,949 129.118,952 141.253,953 86.435,954 42.683,956 66.37,957 79.887,958 17.888,960 141.253,961 197.853,962 95.41,965 141.253,966 41.555,967 40.378,968 34.49,969 176.84,970 141.253,971 197.853,972 95.41,973 0.583,974 0.371,975 0.206,976 0.102,977 19,978 10,979 0.095,980 4,981 1,982 1.133,983 3.637,984 218.81,985 0.133,986 15,987 122.211,993 17.811,994 7.087,995 3.14,997 197.853,998 4.85,1003 1.677,1005 60.572,1006 434.516,1007 38,1013 36.059,1016 4.032,1017 -1.988,1020 41.462,1021 45.116,1022 0.331,1023 0.79,1024 0.918,1025 0.949,1026 0.949,1027 0.949,1028 4.938,1029 1.287,1030 5.808,1031 3.599,1032 4.394,1033 4.883,1034 3.038,1035 6.681,1036 4.349,1037 6.166,1038 1.021,1039 7.418,1040 2.702,1041 4.111,1042 4.783,1043 0.325,1044 7.719,1045 4.076,1046 7.498,1047 0.902,1048 9.128,1049 2.492,1050 6.052,1051 7.044,1052 4.095,1053 10.847,1054 5.971,1055 8.865,1056 0.638,1057 10.896,1058 1.782,1059 6.594,1060 7.755,1061 0.931,1062 12.674,1063 6.52,1064 10.263,1065 0.339,1066 12.699,1067 1.487,1068 8.021,1069 9.506,1070 5.329,1071 15.342,1072 7.912,1073 11.682,1074 0.055,1075 14.526,1076 0.65,1077 8.918,1078 10.574,1079 1.621,1080 17.491,1081 8.807,1082 13.119,1083 -0.33,1084 16.369,1085 0.113,1086 10.166,1087 12.128,1088 6.638,1089 20.008,1090 10.029,1091 3.286,1092 -0.525,1093 18.225,1094 -0.564,1095 11.216,1096 13.364,1097 2.316,1098 22.303,1099 11.071,1100 3.065,1101 11.548,1102 20.091,1103 -1.196,1104 12.403,1105 14.836,1106 7.984,1107 24.766,1108 12.238,1109 2.47,1110 10.093,1111 21.965,1112 4.096,1113 13.52,1114 16.153,1115 2.996,1116 27.13,1117 13.342,1118 2.4,1119 8.033,1120 23.846,1121 4.032,1122 14.69,1123 17.589,1124 9.353,1125 29.573,1126 14.495,1127 2.308,1128 7.958,1129 25.733,1130 3.174,1131 15.836,1132 18.947,1133 3.659,1134 31.972,1135 15.626,1136 1.735,1137 6.947,1138 27.625,1139 3.034,1140 17.004,1141 20.365,1142 10.736,1143 34.409,1144 16.777,1145 1.408,1146 5.078,1147 29.521,1148 2.828,1149 18.164,1150 21.745,1151 4.307,1152 36.826,1153 17.921,1154 7307,1155 14355,1156 17.918,1157 27.102,1158 43.687,1159 47.909,1160 45.619,1161 41.801,1162 41.829,1163 53.47,1164 13.094,1165 124.964,1166 40.802,1167 5.543,1168 6.157,1169 6.698,1170 5.322,1171 5.286,1172 7.096,1173 4.069,1174 19.548,1175 5.231,1176 15.813,1177 1.56,1178 1.711,1179 1.629,1180 1.493,1181 1.494,1182 1.91,1183 0.468,1184 4.463,1185 1.457,1186 4.013,1187 4.034,1188 3.976,1189 3.917,1190 7.445,1191 3.926,1192 3.912,1193 3.932,1194 3.886,1195 3.782,1196 7.432,1197 3.804,1198 3.509,1199 3.57,1200 3.392,1201 3.302,1202 7.411,1203 3.31,1204 3.424,1205 3.459,1206 3.379,1207 3.187,1208 6.818,1209 3.228,1210 3.238,1211 3.261,1212 3.201,1213 3.025,1214 6.456,1215 3.065,1216 3.127,1217 3.194,1218 2.985,1219 2.866,1220 4.833,1221 2.873,1222 3.007,1223 3.071,1224 2.871,1225 2.85,1226 4.593,1227 2.85,1228 2.927,1229 2.965,1230 2.847,1231 2.613,1232 4.28,1233 2.677,1234 0.165,1235 0.148,1236 0.248,1237 0.153,1238 0.117,1239 4.619,1240 0.146,1241 4.157,1242 0.073,1243 6.939,1244 0.412,1245 4.271,1246 0.115,1247 3.286,1248 4.096,1249 2.035,1250 11.548,1251 3.231,1252 1.904,1253 1.881,1254 1.99,1255 2.029,1256 1.151,1257 2.008,1258 1.828,1259 1.807,1260 1.912,1261 1.953,1262 1.084,1263 1.946,1264 1.466,1265 1.403,1266 1.73,1267 1.702,1268 0.924,1269 1.712,1270 1.245,1271 1.233,1272 1.471,1273 1.555,1274 0.627,1275 1.507,1276 1.19,1277 1.148,1278 1.39,1279 1.454,1280 0.401,1281 1.422,1282 1.078,1283 1.002,1284 1.249,1285 1.371,1286 0.246,1287 1.36,1288 1.015,1289 0.992,1290 1.093,1291 1.254,1292 0.079,1293 1.209,1294 0.782,1295 0.732,1296 1.006,1297 1.095,1298 0.027,1299 1.062,1300 4.043,1302 5.38,1303 2.398,1304 6.925,1305 4.727,1306 8.57,1307 6.804,1308 10.27,1310 1.459,1314 9.044,1315 -0.488,1317 2.698,1318 4.92,1321 0.779,1324 9.187,1325 1.771,1326 27.294,1327 70.478,1328 168.083,1329 195.367,1330 202.122,1331 202.122,1332 202.122,1333 73.567,1334 7.192,1335 133.78,1336 133.78,1337 17,1338 12.593,1339 3.7,1340 3.459,1341 44.334,1342 94,1343 94,1344 0.23,1345 169.544,1346 316.23,1347 405.449,1348 12035,1350 18.845,1351 0.725,1352 0.53,1353 18.845,1354 13.775,1355 12.473,1356 0.445,1357 0.275,1358 7.537,1359 11.799,1360 7.381,1361 6.08,1362 12.473,1363 7.697,1364 11.001,1365 0.275,1366 0.14,1367 11.001,1368 5.618,1369 9.927,1370 0.177,1371 0.072,1372 9.927,1373 4.053,1374 8.365,1375 0.116,1376 0.037,1377 8.365,1378 2.684,1379 5.907,1380 0.071,1381 0.019,1382 5.907,1383 1.583,1384 0.358,1385 79.983,1386 0.236,1387 24.895,1388 0.64,1389 136,1390 528.36,1391 154.618,1392 497.805,1393 653.68,1394 460,1395 164,1396 457.26,1397 183.344,1398 459.244,1399 675.12,1400 429,1401 5.028}
{0 CHEMBL1990694,1 1.432,2 8,3 4.015,4 16.12,5 99.012,6 7.387,7 0.571,8 3.904,9 4.012,10 3.472,11 3.51,12 5.008,13 3.479,14 4.434,15 4.602,16 3.86,17 3.923,18 5.473,19 3.876,20 4.693,21 4.877,22 4.072,23 4.107,24 5.807,25 4.062,26 4.771,27 4.941,28 4.099,29 4.136,30 5.94,31 4.095,32 4.811,33 4.996,34 4.044,35 4.114,36 5.984,37 4.063,38 4.76,39 4.947,40 3.85,41 4.03,42 5.911,43 3.943,44 4.748,45 4.979,46 3.52,47 3.908,48 5.822,49 3.756,50 4.628,51 4.906,52 3.052,53 3.706,54 5.44,55 3.486,56 0.029,57 0.609,58 8.988,59 4.228,60 7.614,61 5.418,62 0.14,63 1.035,64 16.814,65 7.041,66 13.261,67 9.459,68 0.186,69 1.301,70 22.684,71 9.384,72 26.38,73 12.542,74 0.184,75 1.381,76 24.64,77 9.75,78 36.275,79 12.546,80 0.313,81 1.446,82 26.391,83 9.652,84 45.589,85 12.513,86 0.28,87 1.348,88 25.047,89 9.579,90 48.057,91 12.433,92 0.384,93 1.28,94 26.381,95 10.004,96 73.536,97 13.376,98 0.253,99 1.108,100 24.484,101 9.491,102 46.155,103 13.159,104 21,105 41,106 0.245,107 0.587,108 0.745,109 0.827,110 0.863,111 0.879,112 3.27,113 0.926,114 -4.75,115 -4.66,116 -4.38,120 46.7,121 1,122 2,125 1,126 1,143 7,144 5,145 2,158 1,159 1,174 14,176 1,177 4,182 2,185 16,188 2,189 7,194 4,197 14,201 9,206 4,209 11,214 12,217 1,219 2,222 11,227 9,230 1,235 11,240 4,243 1,247 11,257 1,260 9,269 1,271 6,274 826,275 17.165,276 17.165,277 17.165,278 17.165,279 17.165,280 15.021,281 15.485,282 10.11,283 17.33,284 13.756,285 13.756,286 13.756,287 13.756,288 13.756,289 10.376,290 18.065,291 4.704,292 14.013,293 4.059,294 2.052,295 1.126,296 0.645,297 0.434,298 0.345,299 3.967,305 1,306 1,307 1,308 436,309 3,313 151.62,317 253.564,319 79.076,320 1.12,321 25.065,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 53,333 200,334 4.899,335 3.832,336 7.297,337 4.473,338 3.486,339 4.926,340 1.2,341 13.073,342 3.44,343 4.295,344 3.328,345 6.552,346 3.91,347 2.936,348 3.965,349 0.6,350 10.15,351 2.854,352 4.113,353 2.842,354 6.332,355 3.657,356 2.668,357 3.695,358 0.293,359 9.442,360 2.639,361 3.61,362 2.655,363 5.911,364 3.223,365 2.249,366 2.997,368 7.754,369 2.185,370 3.554,371 2.354,372 5.636,373 3.119,374 2.141,375 2.84,377 7.035,378 2.085,379 2.985,380 1.992,381 4.464,382 2.658,383 1.674,384 2.189,386 3.78,387 1.644,388 2.883,389 1.612,390 4.06,391 2.468,392 1.472,393 2.012,395 3.405,396 1.464,397 2.821,398 1.466,399 3.935,400 2.337,401 1.339,402 1.921,404 3.035,405 1.337,406 2.563,407 1.34,408 3.65,409 2.232,410 1.244,411 1.569,413 2.935,414 1.226,415 2.298,416 1.213,417 3.53,418 1.867,419 0.894,420 1.17,422 2.045,423 0.864,424 1.938,425 0.981,426 3.459,427 1.62,428 0.664,429 0.772,431 1.365,432 0.63,433 1.748,434 0.823,435 3.179,436 1.407,437 0.393,438 0.5,440 0.987,441 0.393,442 1.402,443 0.344,444 2.718,445 1.069,446 0.091,447 0.117,449 0.187,450 0.089,451 1.066,452 -0.286,453 2.547,454 0.578,455 -0.417,456 -0.56,458 -1.004,459 -0.414,460 0.73,461 -0.376,462 2.323,463 0.437,464 -0.545,465 -0.648,467 -1.148,468 -0.533,469 11.967,470 0.479,471 0.611,472 0.024,473 33.75,474 1.35,475 18,476 0.72,477 15.75,478 0.63,479 20.266,480 0.811,481 25.833,482 0.574,483 25.681,484 1.027,485 6.462,486 0.258,487 5.685,488 0.227,489 0.139,491 0.409,496 0.766,497 1.152,498 0.788,499 0.972,500 0.711,501 0.899,502 0.667,503 0.946,504 0.762,505 0.838,506 0.569,507 0.806,508 0.733,509 0.922,510 0.68,511 0.852,512 0.707,513 0.772,514 1.298,515 1.142,516 0.911,517 1,518 1.297,519 0.922,520 1.452,521 1.064,522 1.067,523 0.978,524 1.412,525 0.965,526 1.377,527 1.185,528 1.254,529 1.2,530 1.406,531 1.207,532 1.205,533 1.046,534 1.299,535 1.146,536 1.244,537 1.222,538 0.956,539 0.933,540 1.214,541 1.082,542 1.039,543 1.17,544 3,545 0.025,546 3.111,547 2.563,548 2.729,549 1.354,550 0.787,551 0.311,552 0.164,553 0.087,554 5762,555 13623,556 2.105,557 44.4,558 5,559 12,562 1,564 2,567 1.692,568 1.948,569 2.928,570 -0.396,572 1,575 64.456,576 1.432,577 3.44,578 4.366,579 4.847,580 5.058,581 5.147,582 2.428,583 4.244,584 4.61,585 3.059,586 917.696,587 8.042,588 10358.6,590 1,592 1,593 247.133,594 1.473,595 4.565,596 0.107,597 0.008,598 0.076,599 0.051,600 0.055,601 0.029,602 0.022,603 0.013,604 0.012,605 0.011,606 0.384,607 0.5,608 1,609 1.352,610 115.311,611 -0.044,612 -0.073,613 0.042,614 0.025,615 -0.076,616 0.038,617 0.063,618 0.134,619 0.127,620 0.136,621 0.019,622 0.142,623 0.146,624 0.11,625 0.249,626 0.128,627 0.124,628 0.19,629 -0.08,630 -0.116,631 0.041,632 -0.035,633 -0.054,634 0.009,635 -0.113,636 -0.007,637 -0.088,638 -0.04,639 -0.09,640 -0.055,641 -0.122,642 -0.165,643 -0.285,644 -0.248,645 -0.082,646 -0.28,647 -0.063,648 -0.092,649 -0.299,650 -0.175,651 -0.01,652 -0.251,653 -0.119,654 -0.036,655 -0.2,656 -0.086,657 -0.13,658 -0.144,659 1.757,660 5.983,661 0.68,662 17.722,663 0.996,664 1.114,665 3.516,666 12.363,667 0.684,668 3.367,669 3.738,670 4.143,671 4.522,672 4.898,673 5.112,674 5.313,675 5.455,676 5.58,677 5.561,678 4.799,679 0.649,680 332.43,681 3.367,682 4.934,683 5.844,684 6.774,685 7.714,686 8.661,687 9.611,688 10.564,689 11.518,690 12.473,691 4.4,698 1,700 1,708 4,709 7,714 3,716 16,719 1,734 1,738 45,739 18,740 3,741 28,743 48,744 21,745 14,746 7,747 7,748 2,752 4,753 12,759 1,766 2,768 16,769 5,772 2,778 1,781 1,782 2,786 1,789 20,790 4,791 1,792 4,797 2,803 0.25,804 2,823 4,827 4,829 1,839 1,855 1,859 2,862 25,868 1,869 3,875 1,886 4.4,888 1,889 1,893 12.833,894 8.85,895 5.556,896 2.993,898 3.917,899 1.494,900 1,901 3.873,902 11.847,903 3.664,904 4.35,905 5.106,906 5.838,907 6.563,908 7.086,909 7.623,910 8.105,911 8.563,912 8.824,913 1,914 50,915 9.304,917 4.082,918 7.72,919 17.855,921 15.125,924 2.22,925 55.5,928 1,929 223.651,930 114.426,931 19.91,933 67.828,936 114.426,937 291.479,938 19.91,939 17.222,940 10.299,941 66.334,942 75.29,943 33.02,945 223.651,947 223.651,948 134.336,949 67.828,952 200.109,953 91.37,956 35.91,957 98.426,960 223.651,961 87.738,962 114.426,965 223.651,966 30.87,967 86.68,969 84.614,970 223.651,971 87.738,972 114.426,973 0.58,974 0.367,975 0.217,976 0.132,977 22,978 10,979 0.063,980 3,981 4,982 1.412,983 3.448,984 233.109,985 0.471,986 16,987 116.096,993 15.952,994 6.07,995 2.297,996 3.282,997 87.738,998 13.361,1003 1.915,1005 42.683,1006 425.815,1007 38,1013 12.983,1016 4.652,1017 0.405,1020 44.811,1021 50.152,1022 0.261,1023 0.626,1024 0.795,1025 0.883,1026 0.921,1027 0.937,1028 4.92,1029 1.339,1030 5.855,1031 3.405,1032 4.419,1033 5.037,1034 1.526,1035 6.79,1036 4.383,1037 6.168,1038 1.244,1039 7.488,1040 3.035,1041 4.111,1042 5.027,1043 0.325,1044 7.932,1045 4.051,1046 7.521,1047 0.894,1048 9.231,1049 2.935,1050 6.111,1051 7.413,1052 1.567,1053 11.157,1054 6.041,1055 8.92,1056 0.664,1057 11.037,1058 2.045,1059 6.673,1060 8.283,1061 0.653,1062 13.124,1063 6.581,1064 10.357,1065 0.393,1066 12.883,1067 1.365,1068 8.149,1069 10.144,1070 1.756,1071 15.888,1072 8.048,1073 11.822,1074 0.091,1075 14.754,1076 0.987,1077 9.094,1078 11.41,1079 1.001,1080 18.193,1081 8.976,1082 13.308,1083 -0.417,1084 16.643,1085 0.187,1086 10.391,1087 13.082,1088 1.997,1089 20.812,1090 10.262,1091 3.486,1092 -0.545,1093 18.546,1094 -1.004,1095 11.501,1096 14.527,1097 1.37,1098 23.264,1099 11.358,1100 2.936,1101 13.073,1102 20.46,1103 -1.148,1104 12.743,1105 16.134,1106 2.265,1107 25.84,1108 12.588,1109 2.668,1110 10.15,1111 22.382,1112 4.926,1113 13.924,1114 17.658,1115 1.754,1116 28.356,1117 13.756,1118 2.249,1119 9.442,1120 24.312,1121 3.965,1122 15.153,1123 19.246,1124 2.551,1125 30.921,1126 14.974,1127 2.141,1128 7.754,1129 26.248,1130 3.695,1131 16.365,1132 20.806,1133 2.143,1134 33.465,1135 16.173,1136 1.674,1137 7.035,1138 28.189,1139 2.997,1140 17.596,1141 22.391,1142 2.851,1143 36.029,1144 17.392,1145 1.472,1146 3.78,1147 30.136,1148 2.84,1149 18.823,1150 23.967,1151 2.535,1152 38.587,1153 18.607,1154 5642,1155 8803,1156 18.611,1157 30.773,1158 42.931,1159 44.215,1160 45.727,1161 42.541,1162 42.503,1163 57.345,1164 4.186,1165 130.389,1166 41.699,1167 5.805,1168 5.832,1169 7.205,1170 5.514,1171 5.486,1172 7.926,1173 2.293,1174 21.073,1175 5.44,1176 12.188,1177 1.533,1178 1.579,1179 1.633,1180 1.519,1181 1.518,1182 2.048,1183 0.149,1184 4.657,1185 1.489,1186 4.206,1187 4.219,1188 4.184,1189 4.164,1190 7.428,1191 4.167,1192 3.795,1193 3.829,1194 3.737,1195 3.723,1196 6.469,1197 3.721,1198 3.704,1199 3.767,1200 3.597,1201 3.561,1202 4.905,1203 3.556,1204 3.534,1205 3.578,1206 3.416,1207 3.372,1208 4.611,1209 3.382,1210 3.294,1211 3.37,1212 3.177,1213 3.149,1214 4.487,1215 3.149,1216 3.163,1217 3.219,1218 3.015,1219 2.975,1220 4.09,1221 2.968,1222 3.061,1223 3.128,1224 2.918,1225 2.917,1226 4.011,1227 2.908,1228 2.899,1229 2.941,1230 2.729,1231 2.69,1232 3.862,1233 2.687,1234 0.175,1235 0.137,1236 0.261,1237 0.16,1238 0.125,1239 4.899,1240 0.176,1241 3.832,1242 0.043,1243 7.297,1244 0.467,1245 4.473,1246 0.123,1247 3.486,1248 4.926,1249 1.2,1250 13.073,1251 3.44,1252 2.169,1253 2.159,1254 2.212,1255 2.223,1256 1.423,1257 2.219,1258 1.788,1259 1.76,1260 1.967,1261 1.901,1262 1.245,1263 1.919,1264 1.701,1265 1.637,1266 1.904,1267 1.866,1268 1.004,1269 1.886,1270 1.481,1271 1.44,1272 1.664,1273 1.68,1274 0.756,1275 1.676,1276 1.274,1277 1.213,1278 1.58,1279 1.508,1280 0.694,1281 1.536,1282 1.162,1283 1.088,1284 1.4,1285 1.34,1286 0.521,1287 1.359,1288 1.068,1289 1.005,1290 1.301,1291 1.281,1292 0.388,1293 1.296,1294 0.859,1295 0.805,1296 1.118,1297 1.075,1298 0.212,1299 1.085,1300 4.043,1302 5.398,1304 6.993,1306 8.712,1308 10.503,1310 3.875,1314 10.788,1315 2.606,1321 1.633,1326 29.214,1327 64.456,1328 154.811,1329 196.462,1330 218.114,1331 227.624,1332 231.624,1333 43.835,1334 7.93,1335 54.59,1336 54.59,1337 24,1338 12.96,1339 4.248,1340 3.459,1341 35.44,1342 70,1343 100,1344 0.257,1345 177.871,1346 305.54,1347 425.764,1348 27808,1350 17.552,1351 0.702,1352 0.577,1353 17.552,1354 14.413,1355 12.147,1356 0.434,1357 0.309,1358 8.563,1359 11.853,1360 8.309,1361 6.931,1362 12.147,1363 8.64,1364 10.762,1365 0.262,1366 0.157,1367 10.762,1368 6.417,1369 10.044,1370 0.162,1371 0.079,1372 10.044,1373 4.886,1374 8.83,1375 0.097,1376 0.039,1377 8.83,1378 3.584,1379 7.929,1380 0.06,1381 0.02,1382 7.929,1383 2.711,1384 0.377,1385 75.113,1386 0.232,1387 23.13,1388 0.801,1389 138,1390 359.175,1391 146.453,1392 353.952,1393 497.54,1394 332,1395 172,1396 377.948,1397 181.73,1398 386.573,1399 581.35,1400 366,1401 4.248}
{0 CHEMBL1993447,1 1.655,2 14.083,3 4.655,4 21.666,5 138.983,6 8.256,7 0.462,8 4.211,9 4.301,10 3.897,11 3.78,12 5.389,13 3.761,14 4.713,15 4.852,16 4.252,17 4.113,18 5.887,19 4.081,20 4.873,21 5.026,22 4.301,23 4.201,24 6.065,25 4.149,26 4.889,27 5.063,28 4.264,29 4.215,30 6.029,31 4.138,32 4.919,33 5.075,34 4.369,35 4.28,36 6.088,37 4.21,38 4.983,39 5.141,40 4.412,41 4.301,42 6.24,43 4.24,44 4.936,45 5.101,46 4.29,47 4.264,48 6.14,49 4.202,50 4.956,51 5.132,52 4.157,53 4.264,54 6.104,55 4.176,56 0.069,57 0.832,58 10.764,59 5.779,60 9.398,61 6.512,62 0.507,63 1.341,64 23.115,65 9.05,66 38.586,67 10.322,68 0.712,69 1.515,70 29.065,71 11.252,72 58.71,73 12.694,74 0.527,75 1.598,76 30.945,77 11.686,78 60.199,79 13.067,80 0.523,81 1.625,82 34.174,83 12.764,84 52.829,85 13.407,86 0.794,87 1.73,88 37.566,89 13.156,90 76.568,91 14.242,92 0.584,93 1.599,94 31.499,95 12.39,96 66.03,97 14.261,98 0.653,99 1.618,100 33.165,101 13.019,102 70.044,103 15.292,104 25,105 52,106 0.264,107 0.593,108 0.791,109 0.878,110 0.885,111 0.885,112 3.616,113 0.93,114 -4.15,115 -4.09,116 -3.87,120 44.3,121 1,125 1,126 3,136 1,139 1,143 10,144 2,145 3,146 2,159 2,160 1,174 10,176 3,177 10,185 10,188 3,189 11,197 5,200 2,201 13,209 5,214 13,222 5,226 4,227 15,235 8,239 2,240 7,247 13,251 3,252 7,260 18,263 1,264 5,271 14,274 2730,275 24.739,276 24.739,277 24.739,278 24.739,279 24.739,280 21.901,281 25.151,282 15.044,283 25.59,284 19.202,285 19.202,286 19.202,287 19.202,288 19.202,289 14.804,290 28.481,291 7.072,292 20.406,293 4.276,294 2.215,295 0.975,296 0.431,297 0.385,298 0.385,299 4.312,307 1,308 1080,309 3.937,312 113.297,313 402.134,320 2.255,321 38.49,324 0.75,325 0.67,326 0.67,327 0.5,328 0.5,329 0.83,330 1,331 0.7,332 78.5,333 507,334 4.452,335 4.732,336 6.7,337 4.107,338 3.187,339 3.967,340 3.66,341 10.832,342 2.941,343 4.262,344 3.709,345 6.175,346 3.853,347 2.904,348 3.773,349 2.513,350 9.183,351 2.753,352 3.956,353 3.468,354 5.663,355 3.504,356 2.535,357 3.485,358 1.216,359 7.643,360 2.456,361 3.893,362 3.253,363 5.419,364 3.489,365 2.511,366 3.425,367 0.965,368 7.195,369 2.449,370 3.677,371 3.179,372 5.273,373 3.332,374 2.369,375 2.974,376 0.86,377 6.706,378 2.256,379 3.601,380 2.705,381 5.097,382 3.207,383 2.242,384 2.808,385 0.636,386 6.072,387 2.148,388 3.348,389 2.538,390 5.018,391 2.854,392 1.901,393 2.581,394 0.484,395 5.806,396 1.787,397 3.015,398 2.327,399 4.679,400 2.562,401 1.649,402 2.155,403 0.257,404 4.698,405 1.506,406 2.919,407 2.178,408 4.375,409 2.52,410 1.608,411 2.055,413 4.191,414 1.46,415 2.838,416 1.817,417 3.66,418 2.368,419 1.398,420 1.957,422 3.064,423 1.35,424 2.8,425 1.786,426 3.59,427 2.299,428 1.362,429 1.825,431 3.016,432 1.239,433 2.5,434 1.546,435 3.346,436 2.021,437 1.112,438 1.5,440 2.136,441 1,442 2.5,443 1.407,444 3.249,445 2,446 1,447 1.5,449 2.136,450 0.997,451 2.177,452 1.37,453 3.247,454 1.956,455 1,456 1.16,458 2.106,459 0.954,460 2.002,461 1,462 3.247,463 1.636,464 0.705,465 0.837,467 1.41,468 0.645,469 17.2,470 0.478,471 0.691,472 0.019,473 48.75,474 1.354,475 25.5,476 0.708,477 23.25,478 0.646,479 30.135,480 0.837,481 38,482 0.623,483 40.686,484 1.13,485 9.973,486 0.277,487 7.594,488 0.211,489 0.097,491 0.285,496 0.765,497 1.276,498 0.702,499 1.044,500 0.597,501 0.934,502 1.035,503 1.012,504 0.846,505 0.896,506 0.7,507 0.846,508 1,509 1.11,510 0.962,511 1.004,512 0.988,513 0.967,514 1.11,515 1.012,516 1.14,517 1.02,518 1.184,519 0.98,520 1.298,521 1.055,522 1.262,523 1.072,524 1.143,525 0.908,526 1.103,527 1.034,528 1.244,529 1.132,530 1.27,531 0.946,532 0.988,533 1.021,534 0.991,535 1.04,536 1.288,537 0.993,538 0.932,539 1.011,540 1.147,541 1.089,542 1.074,543 1.095,544 6.5,545 0.234,546 3.111,547 2.326,548 1.726,549 1.431,550 0.822,551 0.676,552 0.354,553 0.223,554 19664,555 59149,556 2.073,557 41,559 20,561 2,564 3,567 1.778,568 1.964,569 3.729,570 -0.744,575 100.932,576 1.655,577 3.716,578 4.956,579 5.5,580 5.545,581 5.545,582 3.211,583 4.837,584 5.134,585 3.936,586 2479.79,587 9.05,588 40534.2,593 361.775,594 1.3,595 5.112,596 0.167,597 0.006,598 0.06,599 0.044,600 0.035,601 0.026,602 0.014,603 0.013,604 0.007,605 0.005,606 0.375,607 0.33,608 0.88,609 1.302,610 197.724,611 -0.028,612 -0.201,613 0.069,614 -0.074,615 -0.047,616 -0.027,617 0.017,618 0.049,619 0.092,620 0.083,621 0.017,622 0.069,623 0.097,624 -0.088,625 0.026,626 -0.005,627 -0.005,628 -0.027,629 -0.118,630 0.057,631 -0.054,632 0.026,633 -0.101,634 -0.026,635 -0.199,636 0.004,637 -0.04,638 0.072,639 -0.065,640 0.059,641 0.03,642 0.029,643 -0.04,644 -0.013,645 0.041,646 0.012,647 -0.001,648 -0.021,649 -0.022,650 -0.038,651 -0.046,652 -0.027,653 -0.004,654 -0.03,655 -0.178,656 -0.082,657 -0.053,658 -0.11,659 2.127,660 6.403,661 0.639,662 47.435,663 1.012,664 1.115,665 2.919,666 8.523,667 0.694,668 3.689,669 3.97,670 4.22,671 4.466,672 4.682,673 4.745,674 4.927,675 5.088,676 5.209,677 5.308,678 8.203,679 0.666,680 503.62,681 3.689,682 5.209,683 6.043,684 6.903,685 7.757,686 8.628,687 9.495,688 10.373,689 11.247,690 12.13,691 4.9,698 1,700 1,701 1,709 12,710 1,714 5,716 18,735 2,738 61,739 22,740 2,741 39,743 64,744 27,745 17,746 4,747 8,748 4,752 4,753 4,759 1,768 22,769 5,772 4,778 2,780 1,781 1,782 4,789 25,790 8,792 9,793 1,797 3,803 1,804 5,816 1,822 1,823 3,839 1,841 1,845 2,855 4,856 1,857 1,859 2,862 36,869 3,872 3,873 1,875 1,886 8.2,889 2,891 3,893 18.333,894 11.683,895 8.194,896 3.544,898 3.228,899 1.409,900 0.964,901 8.903,902 11.121,903 3.97,904 4.505,905 5.022,906 5.528,907 6.051,908 6.223,909 6.643,910 7.061,911 7.443,912 7.771,913 1,914 53,915 13.302,917 5.535,918 7.829,919 24.987,921 19.626,924 2.329,925 83.833,929 294.278,930 219.306,931 36.695,933 83.29,935 32.22,936 187.087,937 377.567,938 36.695,939 19.708,940 14.415,941 104.239,942 104.064,943 87.495,944 0.693,945 302.955,947 294.278,948 223.782,949 83.29,950 32.22,952 258.964,953 118.603,956 58.12,957 137.849,958 27.813,959 32.22,960 294.278,961 119.985,962 219.306,965 294.278,966 77.265,967 145.166,969 116.861,970 294.278,971 119.985,972 219.306,973 0.563,974 0.326,975 0.177,976 0.096,977 22,978 10,979 0.156,980 10,982 1,983 4.667,984 333.983,986 23,987 182.117,989 1,993 25.645,994 12.498,995 6.833,997 119.985,998 21.94,999 4.157,1003 3.249,1006 633.569,1007 52,1013 25.019,1015 1.786,1016 4.717,1017 0.497,1020 61.738,1021 68.029,1022 0.279,1023 0.627,1024 0.836,1025 0.927,1026 0.935,1027 0.935,1028 5.185,1029 1.649,1030 5.999,1031 5.806,1032 4.654,1033 5.193,1034 3.809,1035 6.767,1036 4.541,1037 6.366,1038 1.608,1039 7.527,1040 4.698,1041 4.111,1042 4.808,1043 2.784,1044 7.57,1045 3.955,1046 7.65,1047 1.398,1048 9.155,1049 4.191,1050 6.201,1051 7.287,1052 5.959,1053 10.674,1054 5.978,1055 8.968,1056 1.362,1057 10.844,1058 3.064,1059 6.509,1060 7.693,1061 5.42,1062 12.346,1063 6.219,1064 10.318,1065 1.112,1066 12.573,1067 3.016,1068 8.029,1069 9.633,1070 8.407,1071 14.956,1072 7.688,1073 11.688,1074 1,1075 14.331,1076 2.136,1077 8.751,1078 10.427,1079 8.065,1080 17.011,1081 8.32,1082 13.076,1083 1,1084 16.111,1085 2.136,1086 10.033,1087 12.113,1088 10.922,1089 19.455,1090 9.552,1091 3.187,1092 0.705,1093 17.908,1094 2.106,1095 10.963,1096 13.125,1097 10.751,1098 21.683,1099 10.384,1100 2.904,1101 10.832,1102 19.719,1103 1.41,1104 12.146,1105 14.671,1106 13.461,1107 24.072,1108 11.509,1109 2.535,1110 9.183,1111 21.542,1112 3.967,1113 13.181,1114 15.814,1115 13.451,1116 26.379,1117 12.445,1118 2.511,1119 7.643,1120 23.376,1121 3.773,1122 14.327,1123 17.281,1124 16.012,1125 28.752,1126 13.525,1127 2.369,1128 7.195,1129 25.218,1130 3.485,1131 15.414,1132 18.504,1133 16.147,1134 31.094,1135 14.516,1136 2.242,1137 6.706,1138 27.067,1139 3.425,1140 16.551,1141 19.924,1142 18.568,1143 33.464,1144 15.577,1145 1.901,1146 6.072,1147 28.924,1148 2.974,1149 17.664,1150 21.198,1151 18.831,1152 35.824,1153 16.598,1154 19010,1155 33143,1156 26.235,1157 42.313,1158 57.58,1159 61.26,1160 58.601,1161 56.654,1162 56.728,1163 74.196,1164 21.182,1165 156.045,1166 53.493,1167 5.376,1168 6.732,1169 6.502,1170 5.252,1171 5.187,1172 6.967,1173 7.14,1174 17.929,1175 4.941,1176 16.649,1177 1.476,1178 1.571,1179 1.503,1180 1.453,1181 1.455,1182 1.902,1183 0.543,1184 4.001,1185 1.372,1186 4.002,1187 4.026,1188 4.108,1189 3.926,1190 7.433,1191 3.919,1192 3.899,1193 3.923,1194 3.857,1195 3.821,1196 7.427,1197 3.821,1198 3.861,1199 3.899,1200 3.795,1201 3.771,1202 4.938,1203 3.773,1204 3.689,1205 3.705,1206 3.766,1207 3.594,1208 4.893,1209 3.572,1210 3.61,1211 3.636,1212 3.531,1213 3.363,1214 4.837,1215 3.391,1216 3.346,1217 3.404,1218 3.187,1219 3.139,1220 4.501,1221 3.14,1222 3.271,1223 3.33,1224 3.114,1225 3.045,1226 4.463,1227 3.054,1228 3.145,1229 3.202,1230 3.087,1231 2.951,1232 4.402,1233 2.949,1234 0.114,1235 0.121,1236 0.172,1237 0.105,1238 0.082,1239 4.452,1240 0.102,1241 4.732,1242 0.094,1243 6.7,1244 0.278,1245 4.107,1246 0.075,1247 3.187,1248 3.967,1249 3.66,1250 10.832,1251 2.941,1252 1.907,1253 1.895,1254 2.006,1255 2.009,1256 1.116,1257 2.005,1258 1.889,1259 1.858,1260 1.99,1261 1.994,1262 1.096,1263 1.995,1264 1.848,1265 1.811,1266 1.969,1267 1.961,1268 1.046,1269 1.969,1270 1.53,1271 1.501,1272 1.812,1273 1.799,1274 0.943,1275 1.792,1276 1.459,1277 1.436,1278 1.595,1279 1.668,1280 0.723,1281 1.64,1282 1.345,1283 1.3,1284 1.566,1285 1.567,1286 0.658,1287 1.569,1288 1.278,1289 1.232,1290 1.529,1291 1.529,1292 0.607,1293 1.543,1294 1.182,1295 1.112,1296 1.383,1297 1.396,1298 0.55,1299 1.421,1300 4.369,1302 5.659,1303 2.398,1304 7.14,1305 4.844,1306 8.705,1307 7.002,1308 10.315,1310 3.246,1315 0.416,1318 15.853,1319 1.307,1321 1.647,1326 40.62,1327 100.932,1328 226.676,1329 302.291,1330 335.51,1331 338.265,1332 338.265,1333 71.177,1334 7.893,1335 92.01,1336 120.25,1337 23,1338 12.666,1339 4.524,1340 3.807,1341 61.966,1342 173,1343 218,1344 0.169,1345 253.629,1346 454.66,1347 610.615,1348 29044,1350 25.33,1351 0.704,1352 0.576,1353 25.683,1354 20.735,1355 17.567,1356 0.45,1357 0.31,1358 11.153,1359 16.355,1360 10.791,1361 8.985,1362 17.975,1363 12.092,1364 15.073,1365 0.29,1366 0.166,1367 15.715,1368 8.606,1369 12.542,1370 0.187,1371 0.091,1372 13.348,1373 6.075,1374 10.287,1375 0.12,1376 0.051,1377 11.251,1378 4.4,1379 8.245,1380 0.077,1381 0.028,1382 9.114,1383 2.949,1384 0.269,1385 115.018,1386 0.195,1387 33.193,1388 0.458,1389 182,1390 618.473,1391 229.483,1392 602.479,1393 814.15,1394 566,1395 210,1396 568.921,1397 255.163,1398 588.654,1399 859.48,1400 551,1401 4.499}
{0 CHEMBL1994257,1 1.622,2 11.214,3 5.268,4 27.749,5 113.162,6 9.871,7 0.71,8 3.902,9 4,10 3.707,11 3.559,12 5.129,13 3.536,14 4.339,15 4.451,16 4.108,17 3.944,18 5.559,19 3.899,20 4.596,21 4.755,22 4.16,23 4.042,24 5.801,25 3.967,26 4.606,27 4.796,28 4.104,29 3.96,30 5.748,31 3.892,32 4.539,33 4.722,34 4.213,35 3.912,36 5.754,37 3.866,38 4.559,39 4.727,40 4.174,41 3.9,42 5.872,43 3.844,44 4.532,45 4.737,46 4.185,47 3.815,48 5.768,49 3.719,50 4.281,51 4.477,52 3.791,53 3.654,54 5.394,55 3.543,56 0.085,57 0.587,58 4.908,59 3.481,60 10.044,61 3.906,62 0.108,63 0.896,64 8.257,65 5.743,66 13.825,67 6.71,68 0.302,69 1.15,70 23.346,71 8.523,72 38.537,73 9.755,74 0.267,75 1.203,76 22.493,77 8.416,78 37.297,79 9.666,80 0.224,81 1.134,82 18.532,83 7.399,84 30.056,85 8.465,86 0.337,87 1.132,88 20.865,89 7.641,90 47.431,91 7.786,92 0.443,93 1.076,94 32.523,95 8.491,96 56.345,97 8.963,98 0.277,99 0.82,100 27.967,101 6.817,102 36.871,103 7.342,104 10,105 43,106 0.275,107 0.548,108 0.702,109 0.837,110 0.863,111 0.863,112 3.375,113 0.91,114 -5.36,115 -5.24,116 -4.9,118 1,120 50,143 12,144 4,145 2,153 2,156 1,159 1,170 1,174 14,177 1,180 1,182 5,185 18,188 1,189 3,192 1,193 1,194 7,197 15,201 5,204 1,206 7,209 8,214 7,219 9,222 7,227 9,230 1,232 5,235 8,240 7,244 1,245 4,247 9,252 2,257 2,260 12,267 1,271 15,274 1354,275 19.068,276 19.068,277 19.068,278 19.068,279 19.068,280 16.148,281 8.556,282 11.379,283 19.363,284 15.325,285 15.325,286 15.325,287 15.325,288 15.325,289 10.966,290 4.756,291 5.457,292 15.858,293 3.838,294 2.225,295 1.313,296 0.517,297 0.364,298 0.364,299 4.073,306 1,307 1,308 687,309 3.162,312 61.036,313 249.065,316 118.41,320 1.571,321 23.441,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 59.25,333 314,334 4.729,335 3.618,336 7.01,337 4.302,338 3.315,339 4.667,340 0.98,341 12.01,342 3.269,343 4.042,344 3.155,345 5.937,346 3.611,347 2.627,348 3.652,350 8.21,351 2.584,352 3.991,353 2.793,354 5.683,355 3.549,356 2.578,357 3.575,359 7.506,360 2.502,361 3.835,362 2.745,363 5.412,364 3.45,365 2.452,366 3.276,368 7.15,369 2.44,370 3.519,371 2.396,372 4.957,373 3.071,374 2.125,375 2.859,377 5.798,378 2.013,379 3.461,380 2.374,381 4.889,382 2.97,383 2.074,384 2.78,386 5.692,387 1.768,388 3.205,389 1.8,390 4.679,391 2.718,392 1.731,393 2.522,395 4.687,396 1.66,397 2.856,398 1.628,399 4.31,400 2.37,401 1.405,402 1.972,404 3.786,405 1.345,406 2.764,407 1.545,408 3.68,409 2.277,410 1.289,411 1.819,413 2.946,414 1.267,415 2.525,416 1.292,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1,426 3.377,427 2,428 1,429 1.5,431 2.136,432 1,433 2.5,434 1,435 3.272,436 1.87,437 0.879,438 1.355,440 2.059,441 0.858,442 2.054,443 0.68,444 3.247,445 1.537,446 0.581,447 0.848,449 1.509,450 0.536,451 1.336,452 0.581,453 2.699,454 1.047,455 0.068,456 0.08,458 0.15,459 0.065,460 1.111,461 0.218,462 2.402,463 0.634,464 -0.247,465 -0.316,467 -0.607,468 -0.157,469 14.2,470 0.507,471 0.644,472 0.023,473 40.5,474 1.446,475 23.5,476 0.839,477 17,478 0.607,479 20.619,480 0.736,481 27.2,482 0.618,483 29.323,484 1.047,485 8.139,486 0.291,487 5.475,488 0.196,489 0.141,491 0.317,496 0.781,497 0.85,498 0.486,499 0.657,500 0.742,501 0.699,502 0.631,503 1.122,504 0.598,505 0.88,506 0.586,507 0.923,508 0.856,509 1.067,510 0.964,511 1.034,512 0.884,513 1.05,514 1.06,515 1.104,516 0.741,517 0.905,518 1.025,519 0.939,520 1.039,521 1.206,522 0.697,523 0.88,524 0.941,525 0.859,526 1.524,527 1.165,528 0.994,529 0.97,530 1.579,531 0.997,532 1.29,533 0.958,534 1.369,535 1.06,536 1.428,537 0.985,538 1.224,539 0.839,540 1.558,541 1.111,542 1.217,543 1.045,544 5,545 0.078,546 2.889,547 1.917,548 1.762,549 0.876,550 0.634,551 0.283,552 0.286,553 0.156,554 10006,555 30790,556 2.115,557 36.4,559 12,561 1,562 3,567 1.712,568 2,569 3.404,570 0.882,575 71.353,576 1.622,577 3.235,578 4.146,579 4.942,580 5.096,581 5.096,582 2.843,583 4.352,584 4.775,585 3.596,586 1359.33,587 8.316,588 17970.2,593 240.215,594 1.333,595 4.748,596 0.161,597 0.003,598 0.067,599 0.045,600 0.044,601 0.021,602 0.017,603 0.009,604 0.011,605 0.007,606 0.386,607 0.17,608 1,609 0.517,610 140.472,611 -0.054,612 0.184,613 -0.006,614 0.102,615 -0.118,616 0.077,617 0.041,618 -0.119,619 -0.005,620 -0.075,621 0.02,622 -0.099,623 0.059,624 -0.078,625 -0.076,626 -0.107,627 0.006,628 -0.127,629 -0.078,630 -0.069,631 -0.004,632 -0.005,633 -0.073,634 0.005,635 -0.042,636 -0.138,637 0.073,638 0.009,639 0.036,640 0.058,641 -0.196,642 -0.099,643 -0.047,644 -0.042,645 -0.115,646 -0.108,647 -0.046,648 0.071,649 -0.004,650 0.018,651 -0.072,652 0.023,653 -0.204,654 0.151,655 -0.145,656 -0.019,657 -0.207,658 -0.028,659 1.999,660 5.83,661 0.75,662 27.551,663 1.009,664 1.106,665 4.131,666 17.061,667 0.741,668 3.466,669 3.784,670 4.06,671 4.357,672 4.635,673 4.691,674 4.787,675 4.905,676 4.898,677 4.875,678 6.591,679 0.709,680 434.31,681 3.466,682 5.004,683 5.855,684 6.737,685 7.615,686 8.509,687 9.401,688 10.301,689 11.201,690 12.107,691 6.8,698 1,699 1,700 1,708 2,709 12,711 1,714 6,716 22,734 1,737 1,738 44,739 24,740 3,741 31,742 1,743 47,744 22,745 20,746 6,747 12,748 2,752 4,753 5,755 1,768 22,772 2,778 1,780 1,781 1,782 1,789 16,790 4,791 3,792 6,793 1,797 3,803 0.75,804 2,818 1,822 1,823 3,826 1,855 3,858 1,862 28,868 1,871 1,885 1,886 4.5,888 1,889 1,893 14,894 7.793,895 6.139,896 2.438,898 4.536,899 1.602,900 1.017,901 5.285,902 12.072,903 3.807,904 4.446,905 5.079,906 5.729,907 6.335,908 6.67,909 7.088,910 7.531,911 7.763,912 8.028,913 1,914 43,915 10.291,917 4.402,918 7.813,919 19.395,921 15.844,924 2.313,925 64.75,929 153.024,930 147.553,931 97.291,933 67.828,936 193.507,937 220.853,938 51.337,940 17.888,941 113.715,942 93.351,943 48.633,944 4.901,945 141.253,946 45.954,947 153.024,948 198.889,949 67.828,951 45.954,952 153.024,953 67.828,956 51.337,957 138.505,958 9.047,959 45.954,960 153.024,961 119.165,962 193.507,965 153.024,966 24.79,967 122.762,968 80.628,969 84.491,970 153.024,971 119.165,972 193.507,973 0.578,974 0.333,975 0.185,976 0.113,977 21,978 9,979 0.085,980 4,981 1,982 1.095,983 4.001,984 244.81,985 0.095,986 21,987 126.606,993 18.479,994 8.008,995 4.036,996 1.822,997 102.38,998 22.162,1000 3.206,1003 4.101,1005 77.357,1006 465.696,1007 44,1013 12.83,1015 1.527,1016 4.035,1017 -0.332,1020 44.374,1021 48.662,1022 0.297,1023 0.593,1024 0.759,1025 0.905,1026 0.933,1027 0.933,1028 5.021,1029 1.405,1030 5.832,1031 4.687,1032 4.466,1033 5.133,1034 1.072,1035 6.642,1036 4.406,1037 6.245,1038 1.289,1039 7.385,1040 3.786,1041 4.007,1042 4.902,1044 7.557,1045 3.889,1046 7.554,1047 1,1048 9.041,1049 2.946,1050 6.047,1051 7.389,1052 1.045,1053 10.705,1054 5.952,1055 8.903,1056 1,1057 10.762,1058 2.275,1059 6.431,1060 8.024,1062 12.545,1063 6.305,1064 10.285,1065 0.879,1066 12.527,1067 2.136,1068 7.935,1069 9.955,1070 1.019,1071 15.233,1072 7.817,1073 11.693,1074 0.581,1075 14.326,1076 2.059,1077 8.731,1078 11.032,1080 17.468,1081 8.596,1082 13.123,1083 0.068,1084 16.152,1085 1.509,1086 10.022,1087 12.725,1088 0.993,1089 20.013,1090 9.886,1091 3.315,1092 -0.247,1093 17.998,1094 0.15,1095 11.024,1096 14.037,1098 22.406,1099 10.875,1100 2.627,1101 12.01,1102 19.863,1103 -0.607,1104 12.237,1105 15.629,1106 0.967,1107 24.908,1108 12.081,1109 2.578,1110 8.21,1111 21.742,1112 4.667,1113 13.34,1114 17.058,1116 27.359,1117 13.172,1118 2.452,1119 7.506,1120 23.633,1121 3.652,1122 14.529,1123 18.611,1124 0.942,1125 29.849,1126 14.351,1127 2.125,1128 7.15,1129 25.534,1130 3.575,1131 15.68,1132 20.098,1134 32.322,1135 15.489,1136 2.074,1137 5.798,1138 27.443,1139 3.276,1140 16.866,1141 21.638,1142 0.917,1143 34.809,1144 16.664,1145 1.731,1146 5.692,1147 29.359,1148 2.859,1149 18.04,1150 23.152,1152 37.289,1153 17.824,1154 9485,1155 16763,1156 20.978,1157 32.608,1158 47.055,1159 47.807,1160 47.605,1161 46.538,1162 46.246,1163 64.81,1164 1.96,1165 131.827,1166 44.614,1167 5.53,1168 5.618,1169 6.812,1170 5.331,1171 5.315,1172 7.667,1173 1.96,1174 19.304,1175 5.269,1176 11.963,1177 1.518,1178 1.542,1179 1.536,1180 1.501,1181 1.492,1182 2.091,1183 0.063,1184 4.252,1185 1.439,1186 4.161,1187 4.187,1188 6.88,1189 4.095,1190 7.429,1191 4.097,1192 3.913,1193 3.939,1194 4.107,1195 3.843,1196 6.471,1197 3.842,1198 3.828,1199 3.859,1200 3.855,1201 3.776,1202 4.963,1203 3.764,1204 3.554,1205 3.594,1206 3.742,1207 3.411,1208 4.793,1209 3.412,1210 3.309,1211 3.366,1212 3.463,1213 3.111,1214 4.702,1215 3.135,1216 3.03,1217 3.05,1218 3.177,1219 2.885,1220 4.435,1221 2.872,1222 2.975,1223 3.029,1224 2.934,1225 2.842,1226 4.253,1227 2.852,1228 2.854,1229 2.925,1230 2.804,1231 2.735,1232 3.794,1233 2.715,1234 0.153,1235 0.117,1236 0.226,1237 0.139,1238 0.107,1239 4.729,1240 0.151,1241 3.618,1242 0.032,1243 7.01,1244 0.387,1245 4.302,1246 0.105,1247 3.315,1248 4.667,1249 0.98,1250 12.01,1251 3.269,1252 1.975,1253 1.959,1254 2.051,1255 2.025,1256 1.206,1257 2.038,1258 1.894,1259 1.871,1260 1.999,1261 1.995,1262 1.068,1263 1.995,1264 1.854,1265 1.826,1266 1.942,1267 1.954,1268 1.046,1269 1.958,1270 1.546,1271 1.512,1272 1.623,1273 1.758,1274 0.695,1275 1.724,1276 1.218,1277 1.161,1278 1.369,1279 1.48,1280 0.325,1281 1.451,1282 1.028,1283 0.997,1284 1.181,1285 1.17,1286 0.281,1287 1.169,1288 0.903,1289 0.87,1290 1.181,1291 1.147,1292 0.218,1293 1.139,1294 0.886,1295 0.821,1296 1.168,1297 1.062,1298 0.218,1299 1.107,1300 4.143,1302 5.46,1303 2.398,1304 6.971,1305 4.844,1306 8.572,1307 7.066,1308 10.225,1309 3.503,1314 9.325,1317 2.573,1326 31.207,1327 71.353,1328 142.335,1329 182.441,1330 217.46,1331 224.215,1332 224.215,1333 44.639,1334 7.536,1335 77.48,1336 77.48,1337 23,1338 12.627,1339 4.644,1340 3.807,1341 42.387,1342 106,1343 134,1344 0.188,1345 197.389,1346 334.3,1347 473.389,1348 19506,1349 2.3,1350 19.51,1351 0.697,1352 0.581,1353 20.51,1354 16.272,1355 13.614,1356 0.439,1357 0.303,1358 8.578,1359 12.706,1360 8.357,1361 6.93,1362 14.192,1363 9.4,1364 12.251,1365 0.285,1366 0.166,1367 13.068,1368 7.137,1369 10.206,1370 0.179,1371 0.084,1372 10.731,1373 4.816,1374 8.466,1375 0.11,1376 0.044,1377 8.905,1378 3.382,1379 7.382,1380 0.072,1381 0.024,1382 7.946,1383 2.477,1384 0.294,1385 92.574,1386 0.218,1387 26.758,1388 0.519,1389 148,1390 426.851,1391 223.351,1392 460.743,1393 620.84,1394 428,1395 174,1396 433.753,1397 211.968,1398 456.321,1399 662.77,1400 430,1401 4.942}
{0 CHEMBL1996199,1 1.848,2 11.32,3 2.687,4 7.219,5 96.37,6 8.936,7 0.593,8 3.826,9 3.925,10 3.598,11 3.329,12 5.075,13 3.344,14 4.273,15 4.415,16 3.856,17 3.652,18 5.512,19 3.649,20 4.37,21 4.515,22 3.887,23 3.712,24 5.637,25 3.696,26 4.446,27 4.625,28 3.857,29 3.688,30 5.632,31 3.644,32 4.446,33 4.645,34 3.601,35 3.551,36 5.651,37 3.491,38 4.289,39 4.51,40 3.587,41 3.38,42 5.552,43 3.331,44 4.162,45 4.413,46 3.318,47 3.222,48 5.297,49 3.166,50 3.906,51 4.103,52 3.267,53 3.156,54 5.128,55 3.124,56 0.146,57 0.642,58 6.813,59 3.128,60 6.867,61 3.47,62 0.438,63 0.906,64 12.732,65 5.313,66 28.684,67 5.735,68 0.479,69 0.997,70 13.231,71 5.744,72 34.667,73 6.322,74 0.409,75 1.058,76 17.618,77 6.421,78 27.437,79 7.224,80 0.639,81 0.963,82 21.277,83 6.521,84 49.581,85 7.002,86 0.476,87 0.838,88 17.032,89 5.413,90 37.055,91 6.963,92 0.448,93 0.721,94 17.285,95 4.713,96 40.883,97 6.028,98 0.386,99 0.58,100 10.331,101 3.435,102 31.121,103 4.076,104 14,105 36,106 0.324,107 0.659,108 0.762,109 0.848,110 0.857,111 0.866,112 3.266,113 0.886,114 -2.81,115 -2.82,116 -2.74,120 40,125 2,143 6,144 1,145 3,147 2,156 1,160 1,170 1,174 5,176 1,177 4,180 2,181 1,182 1,185 3,188 2,189 9,192 2,194 2,197 1,201 6,204 1,206 4,213 2,214 3,217 1,219 3,226 3,227 4,230 2,232 3,239 1,240 2,243 1,245 1,247 1,251 1,252 1,255 1,260 3,263 1,264 3,267 1,271 4,274 879,275 17.24,276 17.24,277 17.24,278 17.24,279 17.24,280 15.022,281 16.182,282 10.259,283 17.753,284 13.207,285 13.207,286 13.207,287 13.207,288 13.207,289 9.762,290 18.475,291 4.67,292 13.818,293 3.474,294 1.567,295 0.975,296 0.488,297 0.438,298 0.388,299 3.95,305 1,306 1,307 1,308 606,309 3.464,312 59.762,313 166.201,316 113.054,320 1.747,321 23.504,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 55.5,333 283,334 4.515,335 3.549,336 6.519,337 4.025,338 3.056,339 4.459,340 1.629,341 10.251,342 2.959,343 4.272,344 3.196,345 6.165,346 3.852,347 2.899,348 3.925,349 0.86,350 9.124,351 2.763,352 3.749,353 3.038,354 5.338,355 3.385,356 2.413,357 3.051,358 0.86,359 6.789,360 2.33,361 3.613,362 2.482,363 5.25,364 3.22,365 2.252,366 2.953,367 0.142,368 6.624,369 2.168,370 3.339,371 2.177,372 4.845,373 2.894,374 1.914,375 2.603,377 5.38,378 1.866,379 3.048,380 2.132,381 4.366,382 2.533,383 1.609,384 2.321,386 4.126,387 1.523,388 2.919,389 1.646,390 4.098,391 2.521,392 1.548,393 2.057,395 3.657,396 1.461,397 2.709,398 1.548,399 3.462,400 2.096,401 1.134,402 1.614,404 2.49,405 1.084,406 2.5,407 1.063,408 3.396,409 2,410 1,411 1.5,413 2.232,414 1,415 2.087,416 1,417 3.192,418 1.617,419 0.705,420 0.907,422 1.611,423 0.637,424 1.897,425 0.935,426 3.013,427 1.556,428 0.618,429 0.796,431 1.229,432 0.575,433 1.47,434 0.874,435 2.747,436 1.212,437 0.355,438 0.385,440 0.489,441 0.301,442 1.237,443 0.546,444 2.513,445 0.922,446 -0.023,447 -0.027,449 -0.05,450 -0.021,451 1.171,452 0.169,453 2.37,454 0.751,455 -0.251,456 -0.327,458 -0.559,459 -0.247,460 0.782,461 -0.024,462 2.253,463 0.323,464 -0.606,465 -0.762,467 -1.154,468 -0.552,469 11.833,470 0.473,471 0.465,472 0.019,473 34.75,474 1.39,475 18.5,476 0.74,477 16.25,478 0.65,479 16.56,480 0.662,481 26.567,482 0.664,483 24.934,484 0.997,485 7.327,486 0.293,487 4.88,488 0.195,489 0.113,491 0.296,496 0.812,497 1.323,498 0.649,499 1.085,500 0.653,501 0.888,502 1.084,503 0.89,504 0.703,505 0.699,506 0.737,507 0.738,508 0.969,509 1.061,510 0.798,511 0.896,512 0.997,513 0.982,514 1.076,515 1.28,516 0.998,517 1.147,518 0.872,519 1.117,520 1.418,521 1.008,522 1.288,523 1.039,524 1.444,525 1.098,526 0.722,527 1.08,528 0.733,529 1.016,530 1.178,531 1.033,532 1.025,533 0.832,534 0.85,535 0.747,536 1.436,537 0.77,538 0.974,539 0.682,540 0.781,541 0.583,542 1.119,543 0.741,544 4.5,545 0.098,546 2.667,547 1.375,548 1.147,549 0.642,550 0.313,551 0.206,552 0.191,553 0.115,554 7922,555 26650,556 2.062,557 37.5,559 12,561 1,562 2,567 1.673,568 1.948,569 3.457,570 0.391,571 1,572 1,574 1,575 73.909,576 1.848,577 3.755,578 4.346,579 4.834,580 4.884,581 4.934,582 2.869,583 4.404,584 4.622,585 3.658,586 1097.52,587 7.952,588 14130.6,589 1,590 1,591 1,592 1,593 212.877,594 1.323,595 4.583,596 0.167,597 0.005,598 0.074,599 0.038,600 0.036,601 0.026,602 0.014,603 0.011,604 0.01,605 0.006,606 0.386,607 0.33,608 1,609 0.844,610 123.537,611 -0.026,612 -0.193,613 0.094,614 -0.147,615 -0.077,616 -0.029,617 -0.041,618 0.133,619 0.071,620 0.189,621 0.026,622 0.152,623 0.023,624 -0.034,625 -0.046,626 -0.029,627 -0.02,628 -0.099,629 -0.139,630 -0.272,631 -0.057,632 -0.192,633 -0.035,634 -0.174,635 -0.223,636 -0.058,637 -0.264,638 -0.083,639 -0.153,640 -0.148,641 0.234,642 -0.155,643 0.196,644 -0.129,645 0.173,646 -0.04,647 -0.034,648 0.075,649 0.155,650 0.157,651 -0.095,652 0.251,653 0.044,654 0.296,655 0.047,656 0.265,657 0.012,658 0.193,659 2.141,660 4.966,661 0.6,662 21.299,663 1.025,664 1.128,665 1.583,666 2.507,667 0.696,668 3.332,669 3.611,670 3.871,671 4.094,672 4.205,673 4.19,674 4.159,675 4.159,676 4.025,677 4.06,678 6.93,679 0.677,680 357.43,681 3.332,682 4.844,683 5.68,684 6.538,685 7.388,686 8.25,687 9.105,688 9.968,689 10.824,690 11.688,691 12.5,698 2,700 1,701 2,708 2,709 6,710 2,713 1,714 4,716 16,735 2,738 40,739 18,740 2,741 27,743 42,744 16,745 12,746 6,747 6,748 1,752 3,753 4,755 1,757 1,768 14,769 2,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 15,790 8,791 2,792 9,793 1,797 5,803 0.667,804 3,822 1,823 2,826 1,855 2,857 1,859 2,862 25,871 2,872 2,886 7.5,889 1,891 2,893 12.833,894 7.85,895 5.75,896 2.033,898 3.577,899 1.514,900 0.97,901 5.657,902 10.542,903 3.638,904 4.23,905 4.831,906 5.418,907 5.86,908 6.101,909 6.355,910 6.609,911 6.412,912 6.67,913 1,914 36,915 9.135,917 3.737,918 7.88,919 16.969,921 13.001,924 2.38,925 59.5,928 1,929 153.024,930 143.491,931 82.514,933 47.145,935 30.826,936 112.664,937 200.169,938 82.514,939 21.766,940 35.899,941 56.857,942 75.915,943 59.38,944 4.276,945 172.079,947 153.024,948 195.178,949 47.145,950 30.826,952 153.024,953 47.145,956 56.85,957 99.329,958 38.999,959 30.826,960 153.024,961 129.659,962 143.491,965 153.024,966 55.82,967 87.671,968 35.899,969 93.76,970 153.024,971 129.659,972 143.491,973 0.564,974 0.342,975 0.188,976 0.093,977 16,978 7,979 0.119,980 5,981 1,982 1.133,983 3.816,984 192.98,985 0.133,986 15,987 114.096,989 1,993 17.421,994 8.117,995 4.17,996 1.378,997 129.659,998 10.691,999 8.285,1002 1.092,1003 2.53,1005 35.899,1006 426.174,1007 37,1013 11.966,1015 1.506,1016 3.919,1017 -0.475,1020 40.985,1021 45.116,1022 0.347,1023 0.706,1024 0.817,1025 0.908,1026 0.918,1027 0.927,1028 4.836,1029 1.134,1030 5.638,1031 3.657,1032 4.29,1033 4.916,1034 2.133,1035 6.412,1036 4.209,1037 6.038,1038 1,1039 7.172,1040 2.49,1041 3.761,1042 4.677,1043 1.195,1044 7.261,1045 3.654,1046 7.337,1047 0.705,1048 8.807,1049 2.232,1050 5.844,1051 7.149,1052 2.534,1053 10.332,1054 5.69,1055 8.677,1056 0.618,1057 10.503,1058 1.611,1059 6.176,1060 7.799,1061 2.262,1062 12.033,1063 5.981,1064 10.049,1065 0.355,1066 12.238,1067 1.229,1068 7.676,1069 9.696,1070 3.211,1071 14.603,1072 7.451,1073 11.446,1074 -0.023,1075 14.001,1076 0.489,1077 8.411,1078 10.772,1079 3.301,1080 16.651,1081 8.138,1082 12.86,1083 -0.251,1084 15.785,1085 -0.05,1086 9.672,1087 12.431,1088 4.044,1089 19.053,1090 9.375,1091 3.056,1092 -0.606,1093 17.583,1094 -0.559,1095 10.6,1096 13.716,1097 4.321,1098 21.248,1099 10.255,1100 2.899,1101 10.251,1102 19.393,1103 -1.154,1104 11.762,1105 15.271,1106 4.952,1107 23.589,1108 11.391,1109 2.413,1110 9.124,1111 21.212,1112 4.459,1113 12.78,1114 16.658,1115 5.326,1116 25.847,1117 12.365,1118 2.252,1119 6.789,1120 23.039,1121 3.925,1122 13.902,1123 18.169,1124 5.894,1125 28.168,1126 13.459,1127 1.914,1128 6.624,1129 24.871,1130 3.051,1131 14.964,1132 19.606,1133 6.319,1134 30.455,1135 14.48,1136 1.609,1137 5.38,1138 26.709,1139 2.953,1140 16.071,1141 21.099,1142 6.852,1143 32.77,1144 15.557,1145 1.548,1146 4.126,1147 28.551,1148 2.603,1149 17.152,1150 22.56,1151 7.305,1152 35.071,1153 16.601,1154 7661,1155 14232,1156 18.087,1157 27.847,1158 39.347,1159 40.724,1160 40.78,1161 38.887,1162 39.004,1163 53.142,1164 6.982,1165 108.002,1166 37.334,1167 5.354,1168 5.549,1169 6.087,1170 5.075,1171 5.056,1172 7.459,1173 2.86,1174 17.08,1175 4.959,1176 11.318,1177 1.457,1178 1.508,1179 1.51,1180 1.44,1181 1.445,1182 1.968,1183 0.259,1184 4,1185 1.383,1186 4.044,1187 4.072,1188 4.253,1189 3.968,1190 7.431,1191 3.958,1192 3.932,1193 3.95,1194 3.892,1195 3.848,1196 5.06,1197 3.853,1198 3.545,1199 3.603,1200 3.616,1201 3.25,1202 4.954,1203 3.29,1204 3.312,1205 3.36,1206 3.432,1207 3.17,1208 4.678,1209 3.126,1210 3.247,1211 3.314,1212 3.189,1213 3.036,1214 4.495,1215 3.056,1216 3.225,1217 3.269,1218 3.051,1219 2.951,1220 4.33,1221 2.96,1222 3.059,1223 3.143,1224 2.901,1225 2.827,1226 4.208,1227 2.827,1228 2.825,1229 2.882,1230 2.724,1231 2.662,1232 3.976,1233 2.668,1234 0.167,1235 0.131,1236 0.241,1237 0.149,1238 0.113,1239 4.515,1240 0.165,1241 3.549,1242 0.06,1243 6.519,1244 0.38,1245 4.025,1246 0.11,1247 3.056,1248 4.459,1249 1.629,1250 10.251,1251 2.959,1252 1.906,1253 1.881,1254 1.987,1255 2.018,1256 1.094,1257 2.008,1258 1.89,1259 1.872,1260 1.978,1261 1.993,1262 1.081,1263 1.988,1264 1.37,1265 1.315,1266 1.586,1267 1.704,1268 0.582,1269 1.65,1270 1.22,1271 1.169,1272 1.575,1273 1.524,1274 0.574,1275 1.539,1276 1.191,1277 1.115,1278 1.451,1279 1.511,1280 0.357,1281 1.517,1282 1.076,1283 1.024,1284 1.24,1285 1.302,1286 0.269,1287 1.306,1288 0.934,1289 0.89,1290 1.086,1291 1.129,1292 0.15,1293 1.144,1294 0.911,1295 0.862,1296 1.072,1297 1.078,1298 0.142,1299 1.081,1300 4.007,1302 5.293,1303 2.398,1304 6.777,1305 4.595,1306 8.354,1307 6.605,1308 9.981,1310 3.119,1317 5.099,1318 10.388,1326 27.073,1327 73.909,1328 150.206,1329 173.858,1330 193.367,1331 195.367,1332 197.367,1333 36.32,1334 6.965,1335 97.73,1336 125.97,1337 17,1338 12.237,1339 4.248,1340 3.459,1341 42.143,1342 107,1343 90,1344 0.191,1345 172.812,1346 291.7,1347 413.422,1348 10318,1350 17.648,1351 0.706,1352 0.573,1353 18.002,1354 14.333,1355 12.207,1356 0.452,1357 0.295,1358 7.133,1359 11.047,1360 6.879,1361 5.782,1362 12.707,1363 7.974,1364 10.333,1365 0.287,1366 0.15,1367 10.799,1368 5.405,1369 8.785,1370 0.187,1371 0.082,1372 9.341,1373 3.864,1374 7.307,1375 0.124,1376 0.046,1377 8.03,1378 2.705,1379 5.371,1380 0.081,1381 0.025,1382 5.894,1383 1.629,1384 0.31,1385 83.321,1386 0.235,1387 24.814,1388 0.496,1389 126,1390 461.668,1391 161.739,1392 458.565,1393 618.98,1394 428,1395 146,1396 435.384,1397 181.337,1398 459.579,1399 655.01,1400 426,1401 5.022}
{0 CHEMBL1997928,1 1.704,2 13.265,3 4.307,4 18.553,5 126.569,6 8.617,7 0.333,8 4.126,9 4.204,10 3.836,11 3.672,12 5.368,13 3.666,14 4.629,15 4.756,16 4.217,17 3.995,18 5.952,19 3.98,20 4.784,21 4.929,22 4.343,23 4.117,24 6.076,25 4.105,26 4.817,27 4.929,28 4.366,29 4.122,30 6.26,31 4.115,32 4.832,33 4.952,34 4.281,35 4.177,36 6.261,37 4.117,38 4.814,39 4.981,40 4.153,41 4.188,42 6.003,43 4.103,44 4.875,45 5.063,46 4.142,47 4.125,48 6.093,49 4.071,50 4.82,51 4.979,52 4.245,53 3.992,54 6.254,55 3.982,56 0.154,57 0.748,58 8.928,59 5.401,60 12.595,61 5.663,62 0.762,63 1.186,64 20.89,65 8.416,66 57.704,67 9.27,68 0.609,69 1.387,70 26.785,71 10.21,72 51.015,73 10.705,74 0.805,75 1.391,76 25.272,77 10.037,78 94.157,79 9.234,80 1.026,81 1.464,82 31.919,83 11.475,84 125.342,85 10.937,86 0.564,87 1.466,88 27.346,89 11.572,90 46.541,91 13.61,92 0.605,93 1.455,94 27.368,95 11.306,96 65.177,97 13.577,98 1.012,99 1.316,100 29.535,101 10.173,102 105.426,103 11.109,104 72,105 49,106 0.278,107 0.586,108 0.717,109 0.772,110 0.789,111 0.795,112 3.561,113 0.928,114 -4.49,115 -4.42,116 -4.16,120 42.9,121 2,125 1,126 2,136 1,139 1,143 8,144 2,145 2,159 4,160 1,174 8,176 5,177 14,185 9,189 16,197 4,200 1,201 20,209 8,213 6,214 6,222 10,226 4,227 5,235 13,240 10,247 10,251 6,252 17,260 9,264 4,271 4,274 2508,275 22.886,276 22.886,277 22.886,278 22.886,279 22.886,280 20.668,281 25.661,282 13.577,283 23.738,284 17.579,285 17.579,286 17.579,287 17.579,288 17.579,289 13.879,290 26.502,291 6.151,292 18.627,293 4.104,294 2.217,295 1.411,296 1.076,297 0.969,298 0.933,299 4.24,307 1,308 928,309 4.359,313 362.38,320 1.974,321 53.202,324 1,325 0.5,326 0.83,327 0.6,329 0.83,330 1,331 0.68,332 76,333 451,334 4.456,335 4.7,336 6.779,337 4.112,338 3.188,339 3.918,340 3.659,341 11.122,342 2.961,343 4.194,344 3.744,345 6.037,346 3.813,347 2.822,348 3.782,349 1.674,350 8.621,351 2.787,352 4.162,353 3.658,354 6.028,355 3.782,356 2.798,357 3.636,358 1.674,359 8.587,360 2.739,361 3.977,362 3.656,363 5.992,364 3.604,365 2.648,366 3.303,367 1.674,368 8.438,369 2.503,370 3.791,371 3.513,372 5.458,373 3.379,374 2.418,375 3.139,376 1.187,377 7.211,378 2.317,379 3.46,380 3.024,381 5.089,382 3.037,383 2.047,384 2.71,385 0.63,386 5.876,387 2.02,388 3.312,389 2.629,390 4.922,391 2.803,392 1.872,393 2.472,394 0.218,395 5.411,396 1.701,397 2.915,398 2.488,399 4.252,400 2.488,401 1.553,402 1.967,404 3.886,405 1.434,406 2.848,407 1.985,408 4.186,409 2.434,410 1.517,411 1.892,413 3.795,414 1.369,415 2.725,416 1.938,417 4.102,418 2.196,419 1.293,420 1.652,422 3.312,423 1.139,424 2.5,425 1.791,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1.783,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.084,443 1.461,444 3.313,445 1.841,446 0.865,447 0.989,449 1.464,450 0.829,451 2.075,452 1.162,453 2.975,454 1.817,455 0.834,456 0.969,458 1.383,459 0.804,460 1.69,461 1,462 2.873,463 1.232,464 0.287,465 0.351,467 0.683,468 0.266,469 15.967,470 0.47,471 0.801,472 0.024,473 43.75,474 1.287,475 22,476 0.647,477 21.75,478 0.64,479 29.058,480 0.855,481 36.833,482 0.658,483 39.582,484 1.164,485 8.94,486 0.263,487 7.431,488 0.219,489 0.177,491 0.338,496 0.72,497 1.293,498 0.681,499 1.073,500 0.573,501 0.95,502 0.78,503 1.005,504 0.751,505 0.866,506 0.561,507 0.799,508 1.01,509 1.093,510 0.85,511 0.979,512 0.837,513 0.79,514 1.451,515 1.131,516 1.07,517 0.981,518 1.579,519 0.925,520 1.099,521 1.023,522 1.585,523 1.195,524 1.279,525 1.055,526 0.49,527 1.097,528 1.072,529 1.175,530 0.587,531 1.132,532 0.799,533 1.025,534 0.76,535 0.941,536 0.857,537 0.981,538 0.96,539 0.943,540 0.813,541 0.996,542 1.019,543 0.913,544 7,545 0.326,546 4.444,547 2.625,548 1.849,549 1.389,550 1.091,551 0.628,552 0.423,553 0.491,554 15170,555 53244,556 1.977,557 39.3,559 16,564 6,567 1.765,568 1.821,569 3.626,570 -0.7,572 1,575 95.414,576 1.704,577 3.59,578 4.396,579 4.731,580 4.838,581 4.874,582 3.127,583 4.676,584 5.048,585 3.825,586 2146.02,587 8.889,588 33059.6,593 325.212,594 1.508,595 4.999,596 0.194,597 0.009,598 0.091,599 0.048,600 0.034,601 0.027,602 0.023,603 0.013,604 0.009,605 0.013,606 0.461,607 0.17,608 0.75,609 1.478,610 182.282,611 -0.043,612 -0.2,613 0.058,614 -0.079,615 -0.059,616 -0.036,617 0.163,618 0.051,619 0.181,620 0.135,621 0.106,622 0.135,623 -0.104,624 -0.021,625 0.17,626 0.06,627 -0.017,628 0.164,629 -0.279,630 -0.059,631 -0.058,632 0.039,633 -0.22,634 -0.041,635 -0.063,636 0.102,637 -0.336,638 -0.002,639 -0.088,640 -0.115,641 0.102,642 -0.037,643 -0.104,644 -0.122,645 0.034,646 -0.113,647 -0.038,648 -0.048,649 0.081,650 -0.026,651 -0.028,652 0.023,653 0.137,654 0.048,655 0.172,656 -0.033,657 0.083,658 0.039,659 2.332,660 5.958,661 0.529,662 43.841,663 1.025,664 1.117,665 3.261,666 10.636,667 0.687,668 3.611,669 3.912,670 4.174,671 4.394,672 4.615,673 4.754,674 4.927,675 5.024,676 5.088,677 5.242,678 7.622,679 0.67,680 482.55,681 3.611,682 5.142,683 5.984,684 6.853,685 7.716,686 8.595,687 9.468,688 10.353,689 11.231,690 12.119,691 3.6,698 1,700 1,709 8,714 4,716 12,726 2,738 56,739 18,740 2,741 36,743 58,744 24,745 12,746 4,747 8,748 7,752 3,753 3,759 2,768 19,769 5,772 6,778 4,780 1,781 1,782 6,789 22,790 9,792 10,793 1,797 2,803 1,804 7,823 3,839 1,841 1,845 2,855 3,856 1,857 1,859 3,862 34,869 2,872 3,873 1,875 1,886 12.5,889 4,891 3,893 18.667,894 11.233,895 7.833,896 3.424,898 3.137,899 1.408,900 0.935,901 8.771,902 10.821,903 3.892,904 4.419,905 4.952,906 5.446,907 5.95,908 6.26,909 6.694,910 7.028,911 7.349,912 7.805,913 1,914 55,915 12.617,917 5.318,918 8.118,919 23.003,921 17.778,924 2.618,925 89,929 258.964,930 195.631,931 19.91,933 133.579,935 32.22,936 163.412,937 392.544,938 19.91,939 28.533,940 12.309,941 85.286,942 128.409,943 61.67,944 0.693,945 291.184,947 258.964,948 183.321,949 133.579,950 32.22,952 188.338,953 204.206,956 46.745,957 125.549,958 11.027,959 32.22,960 258.964,961 153.489,962 195.631,965 258.964,966 81.811,967 116.944,969 150.365,970 258.964,971 153.489,972 195.631,973 0.569,974 0.341,975 0.178,976 0.093,977 20,978 11,979 0.172,980 10,982 1,983 4.31,984 308.27,986 18,987 164.974,989 1,993 25.378,994 11.751,995 6.217,997 153.489,998 12.56,1003 1.58,1006 608.085,1007 48,1013 48.865,1015 1.165,1016 4.519,1017 -1.833,1020 57.407,1021 62.534,1022 0.293,1023 0.618,1024 0.757,1025 0.815,1026 0.833,1027 0.839,1028 5.124,1029 1.553,1030 5.969,1031 5.411,1032 4.595,1033 5.106,1034 3.855,1035 6.777,1036 4.497,1037 6.323,1038 1.517,1039 7.533,1040 3.886,1041 4.205,1042 4.89,1043 2.048,1044 7.698,1045 4.087,1046 7.627,1047 1.293,1048 9.198,1049 3.795,1050 6.188,1051 7.215,1052 5.936,1053 10.78,1054 6.002,1055 8.965,1056 1,1057 10.92,1058 3.312,1059 6.608,1060 7.768,1061 4.991,1062 12.517,1063 6.39,1064 10.331,1065 1,1066 12.679,1067 2.275,1068 8.062,1069 9.582,1070 8.37,1071 15.123,1072 7.788,1073 11.717,1074 0.865,1075 14.462,1076 2.275,1077 8.848,1078 10.485,1079 7.867,1080 17.213,1081 8.524,1082 13.118,1083 0.834,1084 16.263,1085 1.464,1086 10.092,1087 12.078,1088 10.898,1089 19.662,1090 9.717,1091 3.188,1092 0.287,1093 18.079,1094 1.383,1095 11.052,1096 13.163,1097 10.665,1098 21.917,1099 10.615,1100 2.822,1101 11.122,1102 19.906,1103 0.683,1104 12.214,1105 14.645,1106 13.448,1107 24.317,1108 11.723,1109 2.798,1110 8.621,1111 21.742,1112 3.918,1113 13.257,1114 15.832,1115 13.414,1116 26.649,1117 12.698,1118 2.648,1119 8.587,1120 23.586,1121 3.782,1122 14.39,1123 17.254,1124 16.004,1125 29.04,1126 13.771,1127 2.418,1128 8.438,1129 25.437,1130 3.636,1131 15.476,1132 18.501,1133 16.131,1134 31.409,1135 14.785,1136 2.047,1137 7.211,1138 27.294,1139 3.303,1140 16.601,1141 19.889,1142 18.564,1143 33.803,1144 15.845,1145 1.872,1146 5.876,1147 29.157,1148 3.139,1149 17.71,1150 21.173,1151 18.824,1152 36.19,1153 16.88,1154 15252,1155 28754,1156 23.175,1157 38.455,1158 53.653,1159 58.727,1160 56.073,1161 52.587,1162 52.602,1163 67.949,1164 21.435,1165 149.167,1166 50.023,1167 5.392,1168 6.7,1169 6.549,1170 5.291,1171 5.188,1172 6.918,1173 7.14,1174 18.067,1175 4.961,1176 21.232,1177 1.49,1178 1.631,1179 1.558,1180 1.461,1181 1.461,1182 1.887,1183 0.595,1184 4.144,1185 1.39,1186 4.002,1187 4.025,1188 4.093,1189 3.917,1190 7.44,1191 3.916,1192 3.904,1193 3.923,1194 3.856,1195 3.833,1196 7.432,1197 3.835,1198 3.744,1199 3.744,1200 3.832,1201 3.665,1202 7.431,1203 3.643,1204 3.54,1205 3.585,1206 3.445,1207 3.307,1208 7.424,1209 3.321,1210 3.519,1211 3.57,1212 3.401,1213 3.29,1214 4.845,1215 3.297,1216 3.385,1217 3.417,1218 3.298,1219 3.119,1220 4.699,1221 3.152,1222 3.205,1223 3.237,1224 3.18,1225 3,1226 4.516,1227 3.022,1228 3.143,1229 3.168,1230 3.053,1231 2.93,1232 4.474,1233 2.945,1234 0.124,1235 0.131,1236 0.188,1237 0.114,1238 0.089,1239 4.456,1240 0.109,1241 4.7,1242 0.102,1243 6.779,1244 0.309,1245 4.112,1246 0.082,1247 3.188,1248 3.918,1249 3.659,1250 11.122,1251 2.961,1252 1.933,1253 1.911,1254 2.013,1255 2.039,1256 1.115,1257 2.033,1258 1.89,1259 1.87,1260 1.988,1261 1.982,1262 1.076,1263 1.983,1264 1.66,1265 1.66,1266 1.801,1267 1.816,1268 0.937,1269 1.798,1270 1.482,1271 1.421,1272 1.798,1273 1.734,1274 0.934,1275 1.753,1276 1.479,1277 1.417,1278 1.685,1279 1.725,1280 0.803,1281 1.739,1282 1.261,1283 1.223,1284 1.556,1285 1.577,1286 0.574,1287 1.564,1288 1.123,1289 1.087,1290 1.238,1291 1.356,1292 0.294,1293 1.325,1294 1.056,1295 1.033,1296 1.181,1297 1.303,1298 0.218,1299 1.261,1300 4.29,1302 5.595,1304 7.101,1306 8.699,1308 10.347,1310 4.651,1315 0.503,1318 14.717,1319 0.961,1321 1.311,1326 37.501,1327 95.414,1328 201.067,1329 246.192,1330 264.947,1331 270.947,1332 272.947,1333 96.528,1334 7.683,1335 113.26,1336 141.5,1337 18,1338 12.652,1339 4.248,1340 3.7,1341 67.039,1342 145,1343 190,1344 0.214,1345 236.371,1346 435.24,1347 568.505,1348 22238,1350 24.665,1351 0.725,1352 0.576,1353 25.018,1354 19.587,1355 16.371,1356 0.455,1357 0.309,1358 10.195,1359 15.079,1360 9.851,1361 8.206,1362 16.779,1363 11.142,1364 14.155,1365 0.289,1366 0.157,1367 14.797,1368 7.714,1369 11.916,1370 0.186,1371 0.085,1372 12.723,1373 5.455,1374 9.544,1375 0.119,1376 0.048,1377 10.575,1378 3.875,1379 7.277,1380 0.073,1381 0.026,1382 8.2,1383 2.593,1384 0.335,1385 108.458,1386 0.208,1387 31.443,1388 0.59,1389 170,1390 662.299,1391 221.078,1392 633.61,1393 840.22,1394 590,1395 198,1396 577.785,1397 244.6,1398 591.869,1399 871.5,1400 554,1401 5.465}
{0 CHEMBL1998461,1 1.821,2 9.524,3 3.885,4 15.09,5 90.185,6 10.978,7 0.652,8 3.618,9 3.715,10 3.571,11 3.311,12 4.797,13 3.252,14 4.077,15 4.211,16 3.977,17 3.697,18 5.232,19 3.614,20 4.219,21 4.365,22 4.114,23 3.722,24 5.405,25 3.603,26 4.229,27 4.426,28 3.687,29 3.519,30 5.398,31 3.448,32 4.146,33 4.353,34 3.578,35 3.364,36 5.351,37 3.276,38 4.03,39 4.248,40 3.496,41 3.212,42 5.254,43 3.133,44 3.807,45 4.026,46 3.371,47 3.177,48 4.926,49 3.057,50 3.574,51 3.698,52 3.629,53 3.209,54 4.726,55 3.068,56 0.057,57 0.476,58 2.093,59 2.654,60 4.833,61 2.975,62 0.161,63 0.758,64 7.645,65 4.778,66 12.182,67 5.005,68 0.198,69 0.829,70 28.605,71 6.921,72 21.287,73 6.699,74 0.227,75 0.864,76 10.154,77 5.494,78 20.441,79 6.402,80 0.248,81 0.788,82 17.255,83 5.663,84 27.099,85 5.783,86 0.3,87 0.682,88 13.655,89 5.039,90 37.43,91 4.767,92 0.194,93 0.542,94 15.288,95 4.452,96 24.069,97 4.522,98 0.122,99 0.429,100 8.053,101 3.628,102 13.795,103 3.583,104 10,105 32,106 0.333,107 0.698,108 0.82,109 0.884,110 0.895,111 0.895,112 3.102,113 1.035,114 -4.2,115 -4.14,116 -3.91,118 1,120 45.5,125 1,143 5,144 2,145 1,152 2,153 2,156 1,159 1,170 1,174 5,177 4,180 1,182 1,185 7,188 1,189 6,194 1,197 5,200 1,201 3,204 1,206 3,209 1,213 1,214 4,219 2,227 5,232 2,235 2,240 1,247 2,252 3,260 3,271 5,274 565,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.015,281 9.562,282 8.366,283 14.644,284 11.349,285 11.349,286 11.349,287 11.349,288 11.349,289 8.147,290 6.093,291 3.971,292 12.222,293 3.224,294 1.223,295 0.557,296 0.205,297 0.144,298 0.144,299 3.78,305 1,306 1,307 1,308 433,309 3,312 106.839,313 55.744,316 85.662,320 1.401,321 13.851,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44.25,333 200,334 4.665,335 3.605,336 6.817,337 4.205,338 3.225,339 4.623,340 0.98,341 11.248,342 3.165,343 4.11,344 3.036,345 5.851,346 3.58,347 2.697,348 3.744,350 7.797,351 2.432,352 3.82,353 2.975,354 5.549,355 3.438,356 2.451,357 3.191,359 7.563,360 2.316,361 3.342,362 2.351,363 4.992,364 2.864,365 1.922,366 2.692,368 5.389,369 1.815,370 3.293,371 2.019,372 4.65,373 2.765,374 1.883,375 2.514,377 5.036,378 1.605,379 2.991,380 1.753,381 4.324,382 2.519,383 1.544,384 2.154,386 3.974,387 1.434,388 2.665,389 1.588,390 3.586,391 2.165,392 1.191,393 1.715,395 2.771,396 1.15,397 2.563,398 1.203,399 3.526,400 1.968,401 1.021,402 1.467,404 2.356,405 0.941,406 2.204,407 0.907,408 3.281,409 1.639,410 0.741,411 1.066,413 1.768,414 0.628,415 2.158,416 0.782,417 3.154,418 1.523,419 0.613,420 0.921,422 1.469,423 0.549,424 1.154,425 0.462,426 2.53,427 0.745,428 -0.229,429 -0.288,431 -0.539,432 -0.197,433 0.793,434 -0.056,435 2.307,436 0.392,437 -0.572,438 -0.729,440 -1.348,441 -0.396,442 0.697,443 -0.414,444 2,445 0.191,446 -0.78,447 -0.951,449 -1.818,450 -0.547,451 0.486,452 -0.619,453 1.942,454 0.008,455 -0.806,456 -1.176,458 -2.021,459 -0.79,460 0.389,461 -0.854,462 1.658,463 -0.103,464 -1,465 -1.37,467 -2.517,468 -0.988,469 11.2,470 0.533,471 0.524,472 0.025,473 28,474 1.333,475 15,476 0.714,477 13,478 0.619,479 15.928,480 0.758,481 20.6,482 0.624,483 17.044,484 0.812,485 5.412,486 0.258,487 4.736,488 0.226,489 0.193,491 0.304,496 0.645,497 0.993,498 0.492,499 0.68,500 0.55,501 0.73,502 0.828,503 0.898,504 0.626,505 0.701,506 0.585,507 0.723,508 0.929,509 1.265,510 0.968,511 1.118,512 0.931,513 1.138,514 0.971,515 1.197,516 0.349,517 0.792,518 1.121,519 0.996,520 1.399,521 1.161,522 0.667,523 0.958,524 1.522,525 1.059,526 1.812,527 0.893,528 0.423,529 0.687,530 2.298,531 0.809,532 1.474,533 0.543,534 0.816,535 0.599,536 1.557,537 0.652,538 0.656,539 0.969,540 0.93,541 1.142,542 0.89,543 1.012,544 4,545 0.105,546 2.444,547 2.083,548 0.872,549 0.452,550 0.278,551 0.188,552 0.176,553 0.089,554 4675,555 15616,556 2.074,557 36.4,559 8,560 2,561 1,562 1,567 1.627,568 1.938,569 3.21,570 -0.244,572 1,575 60.087,576 1.821,577 3.821,578 4.488,579 4.84,580 4.9,581 4.9,582 2.643,583 4.202,584 4.366,585 3.366,586 706.78,587 7.454,588 7662.97,590 1,591 1,592 1,593 166.465,594 1.418,595 4.322,596 0.174,597 0.01,598 0.076,599 0.072,600 0.035,601 0.023,602 0.016,603 0.012,604 0.011,605 0.006,606 0.434,607 0.5,608 1,609 0.61,610 95.879,611 0.026,612 0.044,613 0.002,614 0.041,615 -0.051,616 0.024,617 -0.029,618 0.161,619 0.003,620 0.127,621 0.035,622 0.105,623 0.016,624 -0.294,625 -0.017,626 -0.191,627 0.019,628 -0.235,629 0.101,630 -0.212,631 0.042,632 -0.086,633 0.025,634 -0.113,635 -0.098,636 -0.148,637 -0.027,638 -0.129,639 -0.062,640 -0.137,641 -0.227,642 0.113,643 0.073,644 0.149,645 -0.26,646 0.133,647 -0.258,648 0.446,649 0.008,650 0.347,651 -0.155,652 0.352,653 0.15,654 -0.018,655 0.047,656 -0.068,657 -0.007,658 -0.052,659 1.876,660 5.223,661 0.667,662 16.177,663 1.011,664 1.107,665 2.971,666 8.824,667 0.766,668 3.178,669 3.497,670 3.761,671 4.025,672 4.111,673 4.06,674 4.06,675 4.094,676 4.025,677 4.043,678 5.689,679 0.716,680 362.27,681 3.178,682 4.71,683 5.557,684 6.435,685 7.302,686 8.185,687 9.06,688 9.945,689 10.825,690 11.713,691 9.1,698 1,699 1,700 1,708 2,709 7,713 1,714 3,715 1,716 15,737 1,738 33,739 17,740 1,741 23,742 1,743 35,744 15,745 12,746 2,747 4,748 2,752 3,753 4,755 1,768 14,769 1,772 2,778 1,780 1,781 1,782 1,786 1,789 12,790 3,791 1,792 6,793 2,797 3,803 0.667,804 1,818 1,822 2,823 1,826 1,855 2,857 1,858 1,859 1,862 21,871 1,880 1,885 1,886 3,889 1,893 10.833,894 6.293,895 4.611,896 1.775,898 3.288,899 1.494,900 1.018,901 4.22,902 9.944,903 3.512,904 4.151,905 4.785,906 5.411,907 5.798,908 6.054,909 6.344,910 6.672,911 6.659,912 6.91,913 1,914 29,915 7.712,917 3.231,918 7.742,919 14.648,921 11.799,924 2.242,925 47.083,929 129.482,930 129.82,931 82.404,933 25.145,935 31.278,936 144.496,937 154.627,938 36.45,939 8.396,940 17.888,941 64.078,942 50.668,943 27.376,944 27.045,945 125.447,946 45.954,947 129.482,948 134.993,949 25.145,950 31.278,951 45.954,952 129.482,953 25.145,956 36.45,957 89.495,958 9.047,959 77.232,960 129.482,961 61.595,962 175.774,965 129.482,966 48.299,967 83.421,968 63.842,969 41.808,970 129.482,971 61.595,972 175.774,973 0.581,974 0.341,975 0.189,976 0.095,977 16,978 7,979 0.086,980 3,981 1,982 1.143,983 3.416,984 156.811,985 0.143,986 14,987 88.239,989 1,993 14.481,994 6.119,995 3.088,996 1.945,997 59.696,998 13.522,1002 1.552,1003 2.604,1004 1.935,1005 17.888,1006 366.852,1007 32.5,1013 12.223,1015 1.637,1016 4.003,1017 -0.21,1020 33.356,1021 36.542,1022 0.361,1023 0.758,1024 0.89,1025 0.959,1026 0.971,1027 0.971,1028 4.725,1029 1.021,1030 5.541,1031 2.771,1032 4.174,1033 4.836,1034 1.072,1035 6.351,1036 4.05,1037 5.955,1038 0.741,1039 7.099,1040 2.356,1041 3.761,1042 4.677,1044 7.261,1045 3.563,1046 7.27,1047 0.613,1048 8.76,1049 1.768,1050 5.759,1051 7.114,1052 1.045,1053 10.384,1054 5.557,1055 8.628,1056 -0.229,1057 10.483,1058 1.469,1059 6.196,1060 7.859,1062 12.191,1063 5.957,1064 10.02,1065 -0.572,1066 12.248,1067 -0.539,1068 7.661,1069 9.728,1070 1.019,1071 14.834,1072 7.413,1073 11.439,1074 -0.78,1075 14.044,1076 -1.348,1077 8.491,1078 10.899,1080 17.008,1081 8.227,1082 12.88,1083 -0.806,1084 15.862,1085 -1.818,1086 9.752,1087 12.547,1088 0.993,1089 19.498,1090 9.478,1091 3.225,1092 -1,1093 17.698,1094 -2.021,1095 10.763,1096 13.916,1098 21.82,1099 10.482,1100 2.697,1101 11.248,1102 19.549,1103 -2.517,1104 11.95,1105 15.481,1106 0.967,1107 24.262,1108 11.66,1109 2.451,1110 7.797,1111 21.411,1112 4.623,1113 13.043,1114 16.938,1116 26.643,1117 12.746,1118 1.922,1119 7.563,1120 23.283,1121 3.744,1122 14.206,1123 18.474,1124 0.942,1125 29.069,1126 13.901,1127 1.883,1128 5.389,1129 25.163,1130 3.191,1131 15.336,1132 19.969,1134 31.473,1135 15.022,1136 1.544,1137 5.036,1138 27.049,1139 2.692,1140 16.495,1141 21.497,1142 0.917,1143 33.895,1144 16.171,1145 1.191,1146 3.974,1147 28.94,1148 2.514,1149 17.642,1150 23.01,1152 36.308,1153 17.309,1154 4519,1155 8403,1156 15.315,1157 25.279,1158 35.359,1159 36.023,1160 35.805,1161 34.723,1162 34.575,1163 48.177,1164 1.96,1165 98.744,1166 32.075,1167 5.46,1168 5.605,1169 6.496,1170 5.296,1171 5.225,1172 7.623,1173 1.96,1174 18.483,1175 5.165,1176 9.714,1177 1.537,1178 1.566,1179 1.557,1180 1.51,1181 1.503,1182 2.095,1183 0.085,1184 4.293,1185 1.395,1186 4.14,1187 4.172,1188 6.881,1189 4.052,1190 7.429,1191 4.061,1192 3.869,1193 3.872,1194 4.17,1195 3.938,1196 4.919,1197 3.842,1198 3.52,1199 3.564,1200 4.099,1201 3.369,1202 4.801,1203 3.378,1204 3.392,1205 3.47,1206 3.467,1207 3.131,1208 4.477,1209 3.161,1210 3.108,1211 3.169,1212 3.29,1213 2.956,1214 4.287,1215 2.946,1216 2.822,1217 2.881,1218 3.005,1219 2.674,1220 3.794,1221 2.663,1222 2.791,1223 2.866,1224 2.704,1225 2.609,1226 3.525,1227 2.579,1228 2.4,1229 2.481,1230 2.55,1231 2.488,1232 3.455,1233 2.28,1234 0.203,1235 0.157,1236 0.296,1237 0.183,1238 0.14,1239 4.665,1240 0.201,1241 3.605,1242 0.043,1243 6.817,1244 0.489,1245 4.205,1246 0.138,1247 3.225,1248 4.623,1249 0.98,1250 11.248,1251 3.165,1252 1.939,1253 1.916,1254 2.032,1255 2.026,1256 1.162,1257 2.029,1258 1.635,1259 1.592,1260 1.775,1261 1.852,1262 0.862,1263 1.827,1264 1.541,1265 1.513,1266 1.619,1267 1.684,1268 0.748,1269 1.684,1270 1.388,1271 1.388,1272 1.465,1273 1.492,1274 0.601,1275 1.508,1276 1.239,1277 1.186,1278 1.32,1279 1.36,1280 0.517,1281 1.415,1282 0.914,1283 0.851,1284 1.126,1285 1.124,1286 0.197,1287 1.162,1288 0.8,1289 0.731,1290 1.01,1291 0.983,1292 0.099,1293 1.02,1294 0.687,1295 0.605,1296 1.005,1297 0.911,1298 0.024,1299 0.954,1300 3.85,1302 5.165,1303 3.045,1304 6.658,1305 5.416,1306 8.236,1307 7.506,1308 9.865,1309 3.378,1310 1.922,1317 2.571,1326 23.625,1327 60.087,1328 126.1,1329 148.1,1330 159.71,1331 161.71,1332 161.71,1333 28.5,1334 6.655,1335 46.39,1336 74.63,1337 16,1338 12.245,1339 4.17,1340 3.392,1341 32.401,1342 71,1343 71,1344 0.222,1345 156.48,1346 256.74,1347 373.571,1348 6409,1349 3,1350 14.82,1351 0.706,1352 0.648,1353 16.173,1354 13.61,1355 10.148,1356 0.441,1357 0.345,1358 6.313,1359 8.832,1360 6.002,1361 4.995,1362 11.179,1363 7.937,1364 9.181,1365 0.287,1366 0.2,1367 10.575,1368 6.396,1369 7.606,1370 0.181,1371 0.112,1372 8.994,1373 4.715,1374 6.389,1375 0.116,1376 0.062,1377 7.72,1378 3.437,1379 4.725,1380 0.079,1381 0.034,1382 5.768,1383 2.061,1384 0.351,1385 75.991,1386 0.256,1387 21.051,1388 0.599,1389 110,1390 330.873,1391 205.557,1392 382.903,1393 510.51,1394 356,1395 129,1396 333.686,1397 193.65,1398 368.185,1399 532.57,1400 344,1401 4.368}
{0 CHEMBL199925,1 1.46,2 6.938,3 1.802,4 3.247,5 61.753,6 8.087,7 0.889,8 3.401,9 3.531,10 3.047,11 2.983,12 4.602,13 2.983,14 3.831,15 3.978,16 3.392,17 3.336,18 5.007,19 3.32,20 4.01,21 4.217,22 3.318,23 3.342,24 5.136,25 3.293,26 3.944,27 4.189,28 3.097,29 3.159,30 4.993,31 3.092,32 3.698,33 3.942,34 2.882,35 2.964,36 4.737,37 2.898,38 3.503,39 3.718,40 2.654,41 2.856,42 4.531,43 2.771,44 3.373,45 3.609,46 2.391,47 2.687,48 4.382,49 2.552,50 3.192,51 3.467,52 1.898,53 2.328,54 4.138,55 2.154,56 0.032,57 0.429,58 4.52,59 1.874,60 6.439,61 2.338,62 0.044,63 0.653,64 7.312,65 3.159,66 7.594,67 4.092,68 0.137,69 0.743,70 10.383,71 3.698,72 17.628,73 4.958,74 0.136,75 0.664,76 10.814,77 3.498,78 18.166,79 4.865,80 0.12,81 0.514,82 8.484,83 2.788,84 13.592,85 3.861,86 0.077,87 0.421,88 6.375,89 2.307,90 9.43,91 3.073,92 0.055,93 0.345,94 5.958,95 2.539,96 9.619,97 3.546,98 0.049,99 0.272,100 5.453,101 1.97,102 9.546,103 2.82,104 2,105 25,106 0.282,107 0.597,108 0.779,109 0.894,110 0.894,111 0.894,112 2.854,113 0.832,114 -2.71,115 -2.72,116 -2.65,120 46.2,143 6,145 1,146 1,147 2,153 1,162 1,164 1,165 1,166 1,174 3,177 3,180 1,182 3,185 2,187 2,188 1,189 3,192 1,194 4,197 1,199 1,201 2,203 1,204 1,206 1,214 3,218 1,219 1,221 1,222 2,227 1,235 3,242 1,243 1,245 1,247 3,249 1,257 1,260 1,262 1,269 1,273 1,274 230,275 11.016,276 11.016,277 11.016,278 11.016,279 11.016,280 9.166,281 3.162,282 6.601,283 11.205,284 8.926,285 8.926,286 8.926,287 8.926,288 8.926,289 6.203,290 2.5,291 3.191,292 9.261,293 3.24,294 1.612,295 0.673,296 0.077,297 0.077,298 0.077,299 3.533,306 1,307 1,308 244,309 1.581,312 27.552,313 80.302,316 53.925,320 1.078,321 10.199,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 34,333 111,334 4.526,335 3.078,336 6.383,337 4.028,338 3.074,339 4.463,341 9.928,342 2.934,343 4.028,344 2.645,345 5.92,346 3.597,347 2.626,348 3.62,350 8.306,351 2.545,352 3.551,353 2.222,354 4.965,355 3.102,356 2.137,357 2.982,359 5.843,360 2.059,361 3.157,362 1.706,363 4.419,364 2.669,365 1.698,366 2.448,368 4.352,369 1.647,370 3.015,371 1.52,372 4.352,373 2.485,374 1.519,375 2.267,377 4.119,378 1.466,379 2.533,380 1.042,381 3.485,382 1.996,383 1.038,384 1.55,386 2.57,387 0.992,388 2.5,389 1,390 3.247,391 1.955,392 1,393 1.5,395 2.136,396 0.952,397 1.945,398 0.495,399 3.159,400 1.416,401 0.469,402 0.685,404 1.178,405 0.443,406 0.971,407 -0.276,408 2.461,409 0.555,410 -0.397,411 -0.514,413 -1.009,414 -0.377,415 0.746,416 -0.638,417 2.325,418 0.302,419 -0.66,420 -0.885,422 -1.542,423 -0.633,424 0.58,425 -0.906,426 2,427 0.064,428 -0.911,429 -1.355,431 -2.347,432 -0.885,433 0.5,434 -1,435 1.555,436 -0.025,437 -1,438 -1.5,440 -2.636,441 -0.973,442 0.051,443 -1.229,444 1.537,445 -0.375,446 -1.32,447 -1.791,449 -3.378,450 -1.242,451 -0.039,452 -1.42,453 1.265,454 -0.465,455 -1.428,456 -1.991,458 -4.474,459 -1.373,460 -0.422,461 -1.897,462 1.034,463 -0.977,464 -1.904,465 -2.64,467 -4.789,468 -1.772,469 7.6,470 0.475,471 0.346,472 0.022,473 25.25,474 1.578,475 14.5,476 0.906,477 10.75,478 0.672,479 7.608,480 0.476,481 15.8,482 0.608,483 14.377,484 0.899,485 5.082,486 0.318,487 2.745,488 0.172,489 0.053,491 0.329,496 1.134,497 1.116,498 0.747,499 0.81,500 1.233,501 0.738,502 0.807,503 1.297,504 0.781,505 1.088,506 0.67,507 0.961,508 1.094,509 1.078,510 1.039,511 1.04,512 1.068,513 1.033,514 1.228,515 1.059,516 1.043,517 0.974,518 0.997,519 0.979,520 1.174,521 0.829,522 0.983,523 0.807,524 0.908,525 0.855,526 1.293,527 0.875,528 1.252,529 1.002,530 1.17,531 1.098,532 0.393,533 0.87,534 1.038,535 1.21,536 0.623,537 1.218,538 0.898,539 1.007,540 1.241,541 1.243,542 1.264,543 1.283,544 3,546 1.556,547 0.917,548 0.729,549 0.365,550 0.127,551 0.106,552 0.037,553 0.016,554 2065,555 5438,556 2.174,557 38.5,559 6,561 1,562 3,567 1.55,568 2.087,569 2.848,570 1.25,574 1,575 37.973,576 1.46,577 3.088,578 4.027,579 4.624,580 4.624,581 4.624,582 2.281,583 3.328,584 3.973,585 2.889,586 346.721,587 6.683,588 2907.23,590 1,593 122.211,594 1.198,595 3.954,596 0.167,598 0.062,599 0.042,600 0.043,601 0.026,602 0.012,603 0.013,604 0.009,605 0.016,606 0.389,607 0.67,608 1,609 0.5,610 63.64,611 -0.205,612 -0.013,613 0.013,614 0.09,615 -0.32,616 0.085,617 0.076,618 -0.248,619 0.019,620 -0.17,621 0.068,622 -0.1,623 -0.01,624 -0.058,625 -0.119,626 -0.128,627 -0.082,628 -0.137,629 -0.088,630 -0.086,631 -0.034,632 -0.043,633 -0.011,634 -0.033,635 -0.081,636 0.145,637 0.021,638 0.141,639 0.04,640 0.105,641 -0.351,642 0.107,643 -0.328,644 -0.05,645 -0.289,646 -0.159,647 0.233,648 -0.017,649 -0.062,650 -0.16,651 0.225,652 -0.156,653 -0.075,654 -0.174,655 -0.172,656 -0.215,657 -0.107,658 -0.209,659 0.952,660 1.702,661 0.938,662 8.844,663 1.002,664 1.125,665 1.479,666 2.187,667 0.704,668 2.944,669 3.258,670 3.526,671 3.807,672 4.025,673 4.043,674 4.127,675 4.19,676 4.043,677 3.892,678 4.146,679 0.679,680 210.26,681 2.944,682 4.466,683 5.313,684 6.188,685 7.057,686 7.939,687 8.817,688 9.702,689 10.584,690 11.471,691 15.4,695 1,699 1,701 2,708 2,709 7,710 2,711 1,714 3,716 16,728 1,738 26,739 16,740 1,741 18,743 28,744 12,745 12,746 3,747 3,752 3,753 4,768 12,786 1,789 10,790 3,791 3,792 4,794 1,797 4,803 0.667,816 1,822 1,823 2,826 1,855 2,862 16,863 1,893 7.667,894 4.567,895 3.472,896 1.411,898 3.129,899 1.495,900 1.071,901 2.031,902 9.453,903 3.296,904 3.966,905 4.616,906 5.273,907 5.844,908 6.175,909 6.626,910 7.061,911 7.221,912 7.464,913 0.8,914 22,915 5.841,917 2.476,918 7.677,919 11.11,921 9.056,924 2.177,925 34.833,926 0.003,929 82.398,930 78.035,931 83.254,936 78.035,937 82.398,938 83.254,941 89.755,942 47.67,943 33.491,944 2.144,945 70.627,947 82.398,948 161.288,952 82.398,956 33.062,957 94.656,958 33.571,960 82.398,961 83.254,962 78.035,965 82.398,966 12.13,967 65.905,968 16.786,969 66.468,970 82.398,971 83.254,972 78.035,973 0.578,974 0.332,975 0.185,976 0.105,977 14,978 5,979 0.036,980 1,981 1,982 1.133,983 2.933,984 111.782,985 0.133,986 15,987 64,993 9.218,994 3.524,995 1.64,996 1.829,997 66.468,998 13.094,999 8.687,1000 3.21,1003 2.31,1005 49.683,1006 243.686,1007 26,1020 26.058,1021 29.239,1022 0.311,1023 0.657,1024 0.857,1025 0.984,1026 0.984,1027 0.984,1028 4.489,1029 0.469,1030 5.283,1031 2.136,1032 3.932,1033 4.649,1035 6.071,1036 3.856,1037 5.714,1038 -0.397,1039 6.819,1040 1.178,1041 3.434,1042 4.407,1044 6.88,1045 3.313,1046 7.022,1047 -0.66,1048 8.454,1049 -1.009,1050 5.493,1051 6.94,1053 9.986,1054 5.338,1055 8.371,1056 -0.911,1057 10.148,1058 -1.542,1059 5.832,1060 7.567,1062 11.648,1063 5.618,1064 9.751,1065 -1,1066 11.88,1067 -2.347,1068 7.347,1069 9.523,1071 14.236,1072 7.105,1073 11.156,1074 -1.32,1075 13.638,1076 -2.636,1077 8.086,1078 10.583,1080 16.248,1081 7.782,1082 12.58,1083 -1.428,1084 15.415,1085 -3.378,1086 9.366,1087 12.28,1089 18.648,1090 9.032,1091 3.074,1092 -1.904,1093 17.207,1094 -4.474,1095 10.301,1096 13.561,1098 20.811,1099 9.906,1100 2.626,1101 9.928,1102 19.008,1103 -4.789,1104 11.479,1105 15.14,1107 23.137,1108 11.049,1109 2.137,1110 8.306,1111 20.818,1112 4.463,1113 12.507,1114 16.53,1116 25.367,1117 12.02,1118 1.698,1119 5.843,1120 22.634,1121 3.62,1122 13.644,1123 18.058,1125 27.667,1126 13.117,1127 1.519,1128 4.352,1129 24.454,1130 2.982,1131 14.717,1132 19.501,1134 29.927,1135 14.136,1136 1.038,1137 4.119,1138 26.279,1139 2.448,1140 15.838,1141 21.008,1143 32.219,1144 15.214,1145 1,1146 2.57,1147 28.107,1148 2.267,1149 16.934,1150 22.477,1152 34.494,1153 16.257,1154 2000,1155 3328,1156 12.425,1157 18.307,1158 27.398,1159 27.06,1160 27.414,1161 27.118,1162 27.122,1163 39.029,1165 76.863,1166 26.076,1167 5.166,1168 5.078,1169 6.185,1170 5.069,1171 5.074,1172 7.463,1174 16.547,1175 4.934,1176 4.649,1177 1.522,1178 1.503,1179 1.523,1180 1.507,1181 1.507,1182 2.168,1184 4.27,1185 1.449,1186 4.118,1187 4.161,1188 4.087,1189 3.994,1190 5.182,1191 4.012,1192 3.813,1193 3.855,1194 3.752,1195 3.718,1196 4.974,1197 3.721,1198 3.404,1199 3.478,1200 3.325,1201 3.215,1202 4.766,1203 3.236,1204 2.955,1205 3.033,1206 2.831,1207 2.798,1208 4.083,1209 2.797,1210 2.82,1211 2.89,1212 2.689,1213 2.705,1214 3.83,1215 2.693,1216 2.74,1217 2.835,1218 2.613,1219 2.527,1220 3.785,1221 2.539,1222 2.555,1223 2.68,1224 2.333,1225 2.162,1226 3.532,1227 2.186,1228 2.056,1229 2.181,1230 1.873,1231 1.814,1232 3.119,1233 1.812,1234 0.251,1235 0.171,1236 0.355,1237 0.224,1238 0.171,1239 4.526,1240 0.248,1241 3.078,1243 6.383,1244 0.552,1245 4.028,1246 0.163,1247 3.074,1248 4.463,1250 9.928,1251 2.934,1252 1.914,1253 1.885,1254 2.001,1255 2.024,1256 1.099,1257 2.02,1258 1.839,1259 1.8,1260 1.946,1261 1.971,1262 0.963,1263 1.965,1264 1.328,1265 1.264,1266 1.46,1267 1.578,1268 0.469,1269 1.552,1270 1.027,1271 0.959,1272 1.225,1273 1.317,1274 0.181,1275 1.299,1276 0.851,1277 0.79,1278 1.12,1279 1.035,1280 0.174,1281 1.068,1282 0.76,1283 0.678,1284 1.066,1285 1.002,1286 0.01,1287 1.033,1288 0.5,1289 0.384,1290 0.842,1291 0.828,1293 0.841,1294 0.283,1295 0.145,1296 0.659,1297 0.611,1299 0.636,1300 3.611,1302 4.92,1303 2.398,1304 6.428,1305 4.727,1306 8.023,1307 6.843,1308 9.661,1313 5.702,1326 17.666,1327 37.973,1328 80.295,1329 104.702,1330 120.211,1331 120.211,1332 120.211,1333 14.476,1334 6.324,1335 67.59,1336 67.59,1337 17,1338 12.003,1339 4.087,1340 3.17,1341 21.82,1342 40,1343 34,1344 0.285,1345 110.384,1346 171.9,1347 261.096,1348 3831,1350 10.958,1351 0.685,1352 0.532,1353 10.958,1354 8.513,1355 7.826,1356 0.435,1357 0.277,1358 4.937,1359 7.6,1360 4.845,1361 4.033,1362 7.826,1363 4.994,1364 7.068,1365 0.283,1366 0.143,1367 7.068,1368 3.577,1369 5.93,1370 0.18,1371 0.073,1372 5.93,1373 2.415,1374 5.025,1375 0.114,1376 0.037,1377 5.025,1378 1.647,1379 4.122,1380 0.075,1381 0.02,1382 4.122,1383 1.096,1384 0.427,1385 48.518,1386 0.284,1387 16.005,1388 0.833,1389 86,1390 228.935,1391 92.911,1392 232.13,1393 328.79,1394 218,1395 101,1396 255.38,1397 108.41,1398 261.494,1399 381.13,1400 247,1401 4.634}
{0 CHEMBL2000340,1 1.693,2 12.143,3 5.367,4 28.805,5 119.954,6 10.497,7 0.71,8 3.887,9 3.996,10 3.761,11 3.548,12 5.103,13 3.51,14 4.309,15 4.438,16 4.16,17 3.888,18 5.489,19 3.843,20 4.499,21 4.683,22 4.188,23 3.943,24 5.631,25 3.851,26 4.476,27 4.684,28 4.193,29 3.871,30 5.58,31 3.783,32 4.441,33 4.638,34 4.282,35 3.888,36 5.566,37 3.775,38 4.333,39 4.516,40 4.471,41 3.821,42 5.501,43 3.69,44 4.222,45 4.415,46 3.971,47 3.643,48 5.354,49 3.562,50 4.188,51 4.361,52 4.045,53 3.703,54 5.373,55 3.619,56 0.102,57 0.678,58 4.714,59 3.354,60 8.575,61 3.745,62 0.122,63 1.027,64 6.691,65 4.978,66 11.321,67 5.709,68 0.277,69 1.211,70 23.283,71 7.507,72 26.074,73 8.514,74 0.275,75 1.184,76 16.648,77 7.108,78 24.493,79 8.248,80 0.271,81 1.147,82 26.202,83 7.713,84 26.863,85 7.775,86 0.254,87 1.012,88 36.416,89 7.627,90 26.648,91 6.83,92 0.238,93 0.943,94 23.407,95 5.873,96 21.702,97 5.288,98 0.2,99 0.915,100 15.135,101 5.123,102 18.199,103 4.819,104 5,105 42,106 0.288,107 0.566,108 0.679,109 0.774,110 0.828,111 0.851,112 3.374,113 0.936,114 -6.61,115 -6.43,116 -5.96,118 1,120 46.5,136 1,139 1,143 11,144 2,147 1,153 1,155 1,162 1,163 1,167 2,170 1,174 13,176 2,177 1,182 2,185 16,188 4,189 5,194 2,197 11,200 2,201 7,204 2,206 2,209 5,214 7,217 2,219 1,222 3,227 15,235 1,240 15,247 2,252 12,257 2,260 1,264 8,269 1,271 4,274 1360,275 19.275,276 19.275,277 19.275,278 19.275,279 19.275,280 16.265,281 3.689,282 11.646,283 19.746,284 15.336,285 15.336,286 15.336,287 15.336,288 15.336,289 10.953,290 1.486,291 5.575,292 16.182,293 3.734,294 2.097,295 1.432,296 0.872,297 0.558,298 0.419,299 4.072,306 1,307 1,308 743,309 3.082,312 159.222,313 195.416,320 2.02,321 14.843,324 0.75,325 0.67,326 0.83,327 0.3,329 0.83,330 1,331 0.63,332 58.75,333 340,334 4.527,335 3.86,336 6.687,337 4.094,338 3.155,339 4.251,341 10.789,342 2.977,343 4.224,344 3.009,345 6.165,346 3.813,347 2.846,348 3.86,350 9.133,351 2.74,352 4.047,353 2.948,354 5.607,355 3.586,356 2.621,357 3.593,359 7.405,360 2.538,361 3.73,362 2.687,363 5.481,364 3.278,365 2.329,366 3.23,368 7.196,369 2.201,370 3.574,371 2.398,372 4.817,373 3.019,374 2.129,375 2.912,377 5.504,378 1.801,379 3.215,380 2.081,381 4.607,382 2.752,383 1.791,384 2.49,386 4.685,387 1.71,388 2.939,389 1.75,390 4.21,391 2.443,392 1.467,393 2.071,395 3.638,396 1.426,397 2.789,398 1.463,399 3.931,400 2.3,401 1.361,402 1.909,404 3.167,405 1.263,406 2.731,407 1.416,408 3.579,409 2.227,410 1.275,411 1.782,413 2.977,414 1.171,415 2.5,416 1.033,417 3.462,418 2,419 1,420 1.5,422 2.363,423 1,424 2.5,425 1,426 3.263,427 2,428 1,429 1.5,431 2.136,432 1,433 2.374,434 1,435 3.247,436 1.842,437 0.902,438 1.312,440 2.136,441 0.841,442 2.195,443 0.882,444 3.247,445 1.654,446 0.668,447 0.995,449 1.633,450 0.657,451 2.145,452 0.678,453 3.102,454 1.41,455 0.49,456 0.786,458 1.178,459 0.431,460 1.111,461 0.388,462 2.594,463 0.772,464 -0.167,465 -0.204,467 -0.411,468 -0.131,469 14.567,470 0.52,471 0.554,472 0.02,473 41.25,474 1.473,475 24,476 0.857,477 17.25,478 0.616,479 20.922,480 0.747,481 26.833,482 0.624,483 27.449,484 0.98,485 8.146,486 0.291,487 5.558,488 0.198,489 0.149,491 0.268,496 0.625,497 0.92,498 0.524,499 0.761,500 0.786,501 0.755,502 0.771,503 1.259,504 0.593,505 0.896,506 0.786,507 0.93,508 0.774,509 1.048,510 0.977,511 1.044,512 0.751,513 1.039,514 0.87,515 0.985,516 0.699,517 0.791,518 0.807,519 0.882,520 1.326,521 1.027,522 1.437,523 1.005,524 1.151,525 0.912,526 1.338,527 1.208,528 1.668,529 1.167,530 1.193,531 0.964,532 1.693,533 1.122,534 1.347,535 1.055,536 1.327,537 0.893,538 1.506,539 1.012,540 1.025,541 0.841,542 1.144,543 0.795,544 4.5,545 0.094,546 2.889,547 1.569,548 1.092,549 0.736,550 0.547,551 0.338,552 0.278,553 0.154,554 10825,555 32229,556 2.137,557 34.9,559 12,561 1,562 2,567 1.709,568 2.049,569 3.555,570 0.282,575 72.778,576 1.693,577 3.33,578 3.995,579 4.554,580 4.868,581 5.008,582 3.053,583 4.45,584 4.776,585 3.731,586 1410.34,587 8.299,588 19121.9,593 233.329,594 1.198,595 4.76,596 0.145,597 0.004,598 0.069,599 0.04,600 0.03,601 0.02,602 0.017,603 0.011,604 0.009,605 0.006,606 0.351,607 0.17,608 0.88,609 0.444,610 142.294,611 0.208,612 0.125,613 -0.023,614 -0.025,615 -0.06,616 -0.007,617 0.111,618 -0.243,619 0.005,620 -0.155,621 -0.022,622 -0.146,623 0.221,624 -0.063,625 -0.041,626 -0.131,627 0.185,628 -0.107,629 0.206,630 0.016,631 0.083,632 0.072,633 0.168,634 0.057,635 -0.106,636 0.006,637 -0.047,638 0.06,639 -0.039,640 0.057,641 -0.054,642 -0.163,643 0.094,644 0.03,645 0.01,646 0.023,647 -0.352,648 -0.015,649 -0.125,650 -0.027,651 -0.188,652 0.018,653 -0.294,654 0.09,655 -0.032,656 0.122,657 -0.047,658 0.075,659 1.296,660 1.441,661 0.786,662 29.439,663 1.008,664 1.112,665 5.379,666 28.932,667 0.764,668 3.466,669 3.761,670 4.025,671 4.277,672 4.407,673 4.454,674 4.564,675 4.673,676 4.736,677 4.771,678 7.088,679 0.72,680 451.38,681 3.466,682 4.99,683 5.832,684 6.696,685 7.554,686 8.426,687 9.293,688 10.169,689 11.041,690 11.921,691 14,699 2,700 1,701 3,709 11,710 3,711 1,714 6,715 1,716 22,738 43,739 24,740 2,741 31,742 1,743 46,744 20,745 17,746 2,747 10,748 3,749 1,752 4,753 4,768 20,772 2,780 2,781 1,782 1,789 15,790 4,791 1,792 8,793 2,797 6,803 1,814 1,822 2,823 2,844 1,845 2,855 4,857 1,858 1,862 28,870 1,883 1,885 1,893 13.667,894 7.676,895 6.194,896 2.359,898 5.122,899 1.683,900 1.021,901 5.746,902 12.623,903 3.807,904 4.413,905 5.022,906 5.615,907 6.043,908 6.345,909 6.784,910 7.206,911 7.577,912 7.93,913 1,914 39,915 10.214,917 4.244,918 7.648,919 19.424,921 15.47,924 2.148,925 60.139,929 163.843,930 179.287,931 131.046,935 38.564,936 186.677,937 163.843,938 85.092,941 113.715,942 87.009,943 44.924,944 2.757,945 179.817,946 45.954,947 163.843,948 225.815,950 38.564,951 45.954,952 163.843,956 40.88,957 113.367,958 71.568,959 84.518,960 163.843,961 85.092,962 225.241,965 163.843,966 17.961,967 124.539,968 62.617,969 105.216,970 163.843,971 85.092,972 225.241,973 0.573,974 0.332,975 0.182,976 0.093,977 20,978 8,979 0.109,980 5,982 1,983 4.128,984 236.791,986 22,987 126.606,988 1,993 18.727,994 8.591,995 4.457,997 66.652,998 21.818,999 12.521,1000 3.026,1003 4.494,1004 1.536,1005 16.663,1006 474.175,1007 44,1015 3.637,1016 4.441,1017 0.804,1020 43.334,1021 47.827,1022 0.312,1023 0.614,1024 0.736,1025 0.839,1026 0.897,1027 0.923,1028 5.007,1029 1.361,1030 5.79,1031 3.638,1032 4.443,1033 5.1,1035 6.567,1036 4.341,1037 6.215,1038 1.275,1039 7.322,1040 3.167,1041 3.892,1042 4.677,1044 7.402,1045 3.656,1046 7.506,1047 1,1048 8.957,1049 2.977,1050 5.994,1051 7.284,1053 10.514,1054 5.802,1055 8.838,1056 1,1057 10.657,1058 2.363,1059 6.33,1060 7.768,1062 12.248,1063 6.021,1064 10.203,1065 0.902,1066 12.4,1067 2.136,1068 7.844,1069 9.736,1071 14.851,1072 7.557,1073 11.592,1074 0.668,1075 14.174,1076 2.136,1077 8.59,1078 10.661,1080 16.944,1081 8.204,1082 13,1083 0.49,1084 15.97,1085 1.633,1086 9.866,1087 12.341,1089 19.383,1090 9.476,1091 3.155,1092 -0.167,1093 17.783,1094 1.178,1095 10.808,1096 13.499,1098 21.627,1099 10.333,1100 2.846,1101 10.789,1102 19.609,1103 -0.411,1104 11.986,1105 15.041,1107 24.013,1108 11.486,1109 2.621,1110 9.133,1111 21.445,1112 4.251,1113 13.024,1114 16.324,1116 26.324,1117 12.448,1118 2.329,1119 7.405,1120 23.29,1121 3.86,1122 14.165,1123 17.801,1125 28.694,1126 13.55,1127 2.129,1128 7.196,1129 25.141,1130 3.593,1131 15.248,1132 19.151,1134 31.036,1135 14.565,1136 1.791,1137 5.504,1138 26.998,1139 3.23,1140 16.378,1141 20.599,1143 33.404,1144 15.646,1145 1.467,1146 4.685,1147 28.86,1148 2.912,1149 17.485,1150 21.986,1152 35.761,1153 16.688,1154 10166,1155 17751,1156 21.266,1157 32.841,1158 47.238,1159 48.028,1160 46.938,1161 46.376,1162 46.068,1163 64.385,1165 127.88,1166 43.511,1167 5.222,1168 5.86,1169 6.489,1170 5.142,1171 5.155,1172 7.251,1174 17.916,1175 4.977,1176 9.504,1177 1.524,1178 1.549,1179 1.514,1180 1.496,1181 1.486,1182 2.077,1184 4.125,1185 1.404,1186 4.055,1187 4.106,1188 6.88,1189 3.933,1190 5.182,1191 3.941,1192 3.92,1193 3.95,1194 4.068,1195 3.872,1196 4.941,1197 3.861,1198 3.853,1199 3.901,1200 3.886,1201 3.7,1202 4.794,1203 3.718,1204 3.636,1205 3.7,1206 3.824,1207 3.488,1208 4.676,1209 3.481,1210 3.448,1211 3.485,1212 3.622,1213 3.372,1214 4.559,1215 3.349,1216 2.912,1217 2.984,1218 3.295,1219 2.768,1220 4.038,1221 2.753,1222 2.854,1223 2.925,1224 3.109,1225 2.748,1226 3.992,1227 2.715,1228 2.854,1229 2.925,1230 2.81,1231 2.735,1232 3.674,1233 2.715,1234 0.146,1235 0.125,1236 0.216,1237 0.132,1238 0.102,1239 4.527,1240 0.137,1241 3.86,1243 6.687,1244 0.348,1245 4.094,1246 0.096,1247 3.155,1248 4.251,1250 10.789,1251 2.977,1252 1.919,1253 1.894,1254 2.03,1255 1.995,1256 1.109,1257 2.008,1258 1.914,1259 1.887,1260 2.027,1261 1.99,1262 1.106,1263 2.006,1264 1.611,1265 1.566,1266 1.652,1267 1.822,1268 0.757,1269 1.78,1270 1.448,1271 1.419,1272 1.538,1273 1.604,1274 0.649,1275 1.562,1276 1.308,1277 1.248,1278 1.415,1279 1.558,1280 0.457,1281 1.558,1282 1.195,1283 1.142,1284 1.214,1285 1.396,1286 0.218,1287 1.389,1288 0.89,1289 0.825,1290 1.181,1291 1.171,1292 0.218,1293 1.137,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.2,1299 1.107,1300 4.143,1302 5.442,1303 3.045,1304 6.925,1305 5.352,1306 8.486,1307 7.402,1308 10.091,1309 3.511,1316 4.35,1326 30.975,1327 72.778,1328 143.17,1329 171.766,1330 195.82,1331 209.329,1332 215.329,1333 34.149,1334 7.502,1335 71.75,1336 110.55,1337 22,1338 12.459,1339 4.644,1340 3.807,1341 42.516,1342 116,1343 120,1344 0.173,1345 201.725,1346 333.63,1347 483.97,1348 20269,1349 2.3,1350 19.347,1351 0.691,1352 0.609,1353 20.847,1354 17.047,1355 13.704,1356 0.442,1357 0.312,1358 8.419,1359 12.492,1360 8.173,1361 6.807,1362 14.57,1363 9.667,1364 12.036,1365 0.287,1366 0.171,1367 13.223,1368 7.168,1369 10.125,1370 0.184,1371 0.084,1372 11.008,1373 4.629,1374 8.451,1375 0.119,1376 0.044,1377 9.242,1378 3.145,1379 6.33,1380 0.078,1381 0.024,1382 7.029,1383 1.955,1384 0.275,1385 96.287,1386 0.217,1387 27.133,1388 0.462,1389 146,1390 423.31,1391 237.257,1392 476.741,1393 650.69,1394 444,1395 170,1396 464.641,1397 223.549,1398 490.439,1399 709.97,1400 461,1401 5.576}
{0 CHEMBL2000342,1 2.137,2 6.429,3 3.468,4 12.027,5 62.556,6 15.539,7 0.4,8 3.027,9 3.06,10 3.431,11 2.898,12 4.323,13 2.789,14 3.399,15 3.459,16 3.695,17 3.142,18 4.801,19 3.061,20 3.414,21 3.514,22 3.774,23 3.04,24 4.841,25 2.912,26 3.072,27 3.193,28 3.121,29 2.718,30 4.273,31 2.601,32 2.991,33 3.055,34 3.331,35 2.753,36 4.415,37 2.618,38 2.921,39 2.97,40 3.108,41 2.725,42 4.181,43 2.51,44 2.619,45 2.687,46 2.984,47 2.348,48 3.875,49 2.082,50 1.692,51 1.584,52 3.046,53 1.677,54 3.632,55 1.461,56 0.094,57 0.265,58 5.134,59 1.081,60 5.185,61 0.671,62 0.167,63 0.399,64 5.804,65 1.338,66 9.88,67 0.983,68 0.232,69 0.369,70 14.125,71 2.293,72 17.176,73 1.626,74 0.15,75 0.278,76 7.328,77 1.532,78 11.231,79 1.218,80 0.122,81 0.261,82 6.806,83 1.523,84 8.625,85 1.135,86 0.11,87 0.222,88 10.702,89 1.864,90 7.715,91 1.234,92 0.111,93 0.151,94 11.348,95 1.8,96 10.278,97 0.988,98 0.068,99 0.024,100 5.241,101 0.413,102 6.132,103 0.152,104 5,105 20,106 0.472,107 0.79,108 0.878,109 0.904,110 0.904,111 0.904,112 2.732,113 1.279,114 -3.07,115 -3.07,116 -2.95,120 41.2,143 2,145 1,146 1,148 1,159 2,174 1,176 1,177 3,185 1,188 1,189 4,197 1,213 1,214 3,222 1,227 1,235 1,252 1,260 1,274 164,275 9.361,276 9.361,277 9.361,278 9.361,279 9.361,280 8.104,281 11.307,282 5.598,283 9.895,284 7.394,285 7.394,286 7.394,287 7.394,288 7.394,289 5.566,290 11.917,291 2.677,292 8.403,293 1.951,294 0.515,295 0.118,299 3.375,303 1,304 1,307 1,308 188,309 1.732,312 37.939,313 43.324,320 1.143,321 12.766,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 30.167,333 90,334 4.251,335 4.207,336 6.074,337 3.746,338 2.869,339 3.765,340 1.736,341 8.79,342 2.506,343 3.946,344 2.946,345 5.374,346 3.446,347 2.544,348 3.432,349 1.185,350 6.986,351 2.236,352 3.424,353 2.809,354 4.884,355 2.928,356 2.055,357 2.708,359 5.662,360 1.716,361 2.829,362 2.459,363 4.044,364 2.123,365 1.265,366 1.783,368 3.386,369 1.099,370 2.5,371 1.349,372 3.415,373 2.002,374 1.106,375 1.5,377 2.386,378 0.956,379 2.141,380 1,381 3.414,382 1.958,383 1,384 1.127,386 2.275,387 0.888,388 1.38,389 0.916,390 2.816,391 0.983,392 0.134,393 0.158,395 0.315,396 0.102,397 0.92,398 0.395,399 2,400 0.361,401 -0.432,402 -0.522,404 -0.971,405 -0.28,406 0.5,407 -0.01,408 1.873,409 -0.024,410 -0.895,411 -0.99,413 -2.187,414 -0.551,415 0.258,416 -0.683,417 1.576,418 -0.195,419 -1,420 -1.5,422 -3,423 -0.972,424 -0.035,425 -1,426 1.449,427 -0.614,428 -1.348,429 -1.72,431 -3.232,432 -1.027,433 -0.285,434 -1.136,435 1.199,436 -0.711,437 -1.603,438 -1.826,440 -3.995,441 -1.42,442 -0.5,443 -1.394,444 0.814,445 -0.901,446 -1.729,447 -2.222,449 -5.097,450 -1.504,451 -0.578,452 -1.587,453 0.586,454 -1.03,455 -1.966,456 -2.692,457 -1.185,458 -5.275,459 -1.806,460 -0.752,461 -2,462 0.481,463 -1.069,464 -2,465 -3,466 -1.736,467 -6.043,468 -1.942,469 7.795,470 0.557,471 0.332,472 0.024,473 18.75,474 1.339,475 9.5,476 0.679,477 9.25,478 0.661,479 9.919,480 0.708,481 13.805,482 0.812,483 8.478,484 0.606,485 3.089,486 0.221,487 3.665,488 0.262,489 0.183,491 0.257,496 0.713,497 1.162,498 0.475,499 0.626,500 0.733,501 0.616,502 0.755,503 1.114,504 0.709,505 0.83,506 0.695,507 0.763,508 1.016,509 0.961,510 0.826,511 0.843,512 1.111,513 1.042,514 1.143,515 0.895,516 0.876,517 0.774,518 1.209,519 0.945,520 0.442,521 0.854,522 0.987,523 1.16,524 0.364,525 0.925,526 1.356,527 1.06,528 1.779,529 1.658,530 1.119,531 1.548,532 2.194,533 0.964,534 2.166,535 1.683,536 2.308,537 1.721,538 0.687,539 0.686,540 0.608,541 0.595,542 1.14,543 0.206,544 3,546 1.556,547 0.694,548 0.537,549 0.223,550 0.171,551 0.136,552 0.031,554 1368,555 7473,556 2.034,557 17.6,559 2,561 1,567 1.504,568 1.909,569 2.735,570 -0.487,575 36.326,576 2.137,577 3.572,578 3.97,579 4.087,580 4.087,581 4.087,582 2.217,583 3.236,584 3.783,585 2.826,586 257.2,587 6.281,588 2009.78,590 1,593 69.487,594 1.379,595 3.74,596 0.2,598 0.078,599 0.043,600 0.049,601 0.019,602 0.019,603 0.027,604 0.01,606 0.445,607 0.83,608 1,609 0.673,610 53.278,611 -0.08,612 -0.254,613 0.134,614 0.075,615 -0.169,616 -0.024,617 0.018,618 -0.148,619 -0.031,620 -0.089,621 0.035,622 -0.074,623 0.051,624 -0.015,625 0.143,626 0.063,627 -0.042,628 -0.015,629 -0.284,630 0.038,631 -0.037,632 0.144,633 -0.354,634 0.166,635 0.413,636 0.142,637 -0.078,638 -0.146,639 0.482,640 0.035,641 -0.447,642 -0.171,643 -0.641,644 -0.471,645 -0.165,646 -0.412,647 -0.879,648 -0.032,649 -0.657,650 -0.316,651 -0.875,652 -0.37,653 2.112,654 0.081,655 1.906,656 0.522,657 1.843,658 0.383,659 1.253,660 1.672,661 0.786,662 6.857,663 1.058,664 1.096,665 1.841,666 3.389,667 0.929,668 2.773,669 3.045,670 3.219,671 3.367,672 3.434,673 3.258,674 3.258,675 3.296,676 3.045,677 2.708,678 4.027,679 0.86,680 264.17,681 2.773,682 4.263,683 5.069,684 5.905,685 6.73,686 7.567,687 8.398,688 9.234,689 10.068,690 10.904,691 17.6,700 2,701 1,709 3,710 1,714 2,716 6,737 1,738 17,739 8,741 15,743 18,744 7,745 5,748 2,749 1,752 2,753 2,754 2,768 7,771 1,772 2,781 2,782 2,789 3,790 3,792 7,793 4,797 3,803 1,816 1,822 1,823 1,855 2,857 2,860 2,862 14,873 2,885 2,893 7.333,894 3.219,895 3.111,896 0.864,898 1.972,899 1.357,900 0.978,901 3.335,902 7.501,903 3.045,904 3.597,905 4.082,906 4.52,907 4.984,908 5.063,909 5.337,910 5.653,911 5.69,912 5.538,913 1,914 16,915 5.077,916 0.002,917 2.073,918 7.897,919 9.415,920 0.001,921 7.248,922 -0.001,924 2.397,925 33.556,926 0.003,929 35.313,930 98.147,931 48.751,932 78.297,935 60.125,936 38.022,937 113.611,938 48.751,941 18.952,942 32.75,943 44.513,944 41.477,945 83.667,946 39.149,947 35.313,948 86.773,950 138.422,952 35.313,956 41.013,957 28.975,958 55.934,959 99.274,960 35.313,961 48.751,962 176.444,965 35.313,966 70.147,967 28,969 127.048,970 35.313,971 48.751,972 176.444,973 0.577,974 0.322,975 0.157,976 0.08,977 10,978 4,979 0.056,980 1,982 1,983 2.697,984 84.106,986 11,987 53.303,989 2,993 10.302,994 4.532,995 2.645,997 48.751,998 4.994,999 4.021,1003 1.162,1006 260.509,1007 20,1016 8.115,1017 1.086,1020 17.989,1021 18.638,1022 0.523,1023 0.874,1024 0.971,1025 1,1026 1,1027 1,1028 4.241,1029 -0.432,1030 5.03,1031 0.315,1032 3.714,1033 4.277,1034 2.286,1035 5.746,1036 3.461,1037 5.439,1038 -0.895,1039 6.535,1040 -0.971,1041 3.219,1042 3.951,1044 6.447,1045 2.653,1046 6.729,1047 -1,1048 8.134,1049 -2.187,1050 5.22,1051 6.389,1052 3.141,1053 9.459,1054 4.729,1055 8.054,1056 -1.348,1057 9.786,1058 -3,1059 5.525,1060 6.83,1062 10.973,1063 4.711,1064 9.405,1065 -1.603,1066 11.473,1067 -3.232,1068 6.989,1069 8.737,1070 4.117,1071 13.467,1072 6.239,1073 10.774,1074 -1.729,1075 13.182,1076 -3.995,1077 7.663,1078 9.538,1080 15.328,1081 6.62,1082 12.156,1083 -1.966,1084 14.909,1085 -5.097,1086 8.894,1087 11.196,1088 5.159,1089 17.629,1090 7.871,1091 2.869,1092 -2,1093 16.649,1094 -5.275,1095 9.748,1096 12.194,1098 19.651,1099 8.469,1100 2.544,1101 8.79,1102 18.399,1103 -6.043,1104 10.874,1105 13.715,1106 6.235,1107 21.873,1108 9.571,1109 2.055,1110 6.986,1111 20.156,1112 3.765,1113 11.818,1114 14.829,1116 23.973,1117 10.294,1118 1.265,1119 5.662,1120 21.921,1121 3.432,1122 12.896,1123 16.271,1124 7.326,1125 26.163,1126 11.314,1127 1.106,1128 3.386,1129 23.69,1130 2.708,1131 13.888,1132 17.458,1134 28.299,1135 12.11,1136 1,1137 2.386,1138 25.465,1139 1.783,1140 14.945,1141 18.851,1142 8.423,1143 30.478,1144 13.083,1145 0.134,1146 2.275,1147 27.243,1148 1.5,1149 15.961,1150 20.084,1152 32.632,1153 13.924,1154 1405,1155 3409,1156 9.94,1157 15.79,1158 22.275,1159 23.653,1160 22.71,1161 22.237,1162 21.947,1163 28.947,1164 5.843,1165 59.599,1166 19.006,1167 5.002,1168 6.207,1169 5.593,1170 4.815,1171 4.869,1172 6.765,1173 3.473,1174 14.832,1175 4.448,1176 5.95,1177 1.485,1178 1.577,1179 1.514,1180 1.482,1181 1.463,1182 1.93,1183 0.39,1184 3.973,1185 1.267,1186 3.885,1187 3.92,1188 4.299,1189 3.792,1190 5.079,1191 3.785,1192 3.578,1193 3.585,1194 3.968,1195 3.592,1196 4.938,1197 3.497,1198 2.919,1199 2.951,1200 3.515,1201 2.824,1202 4.522,1203 2.803,1204 2.758,1205 2.842,1206 3.344,1207 2.547,1208 4.079,1209 2.556,1210 2.322,1211 2.352,1212 2.772,1213 2.459,1214 3.833,1215 2.219,1216 2.099,1217 1.997,1218 2.619,1219 2.131,1220 3.764,1221 2.049,1222 1.603,1223 1.677,1224 2.281,1225 1.464,1226 2.991,1227 1.356,1228 1.45,1229 1.614,1230 2.008,1231 1.166,1232 2.59,1233 1.052,1234 0.283,1235 0.28,1236 0.405,1237 0.25,1238 0.191,1239 4.251,1240 0.251,1241 4.207,1242 0.116,1243 6.074,1244 0.586,1245 3.746,1246 0.167,1247 2.869,1248 3.765,1249 1.736,1250 8.79,1251 2.506,1252 1.812,1253 1.781,1254 1.879,1255 1.941,1256 0.919,1257 1.933,1258 1.322,1259 1.305,1260 1.239,1261 1.454,1262 0.367,1263 1.44,1264 0.875,1265 0.87,1266 1.064,1267 1.016,1268 0.106,1269 1.046,1270 0.757,1271 0.724,1272 0.762,1273 0.955,1275 0.968,1276 0.527,1277 0.52,1278 0.33,1279 0.542,1281 0.638,1287 0.071,1300 3.434,1302 4.71,1303 2.398,1304 6.163,1305 4.595,1306 7.692,1307 6.529,1308 9.258,1311 11.47,1319 2.708,1326 14.62,1327 36.326,1328 60.732,1329 67.487,1330 69.487,1331 69.487,1332 69.487,1333 14.025,1334 5.529,1335 38.14,1336 94.62,1337 11,1338 11.473,1339 3.17,1340 2.585,1341 21.449,1342 34,1343 30,1344 0.328,1345 107.804,1346 181.28,1347 254.801,1348 1354,1349 11.8,1350 9.966,1351 0.712,1352 0.699,1353 11.673,1354 9.791,1355 6.754,1356 0.45,1357 0.426,1358 3.679,1359 5.18,1360 3.411,1361 2.817,1362 8.41,1363 6.396,1364 6.03,1365 0.301,1366 0.246,1367 8.018,1368 4.918,1369 4.811,1370 0.2,1371 0.156,1372 7.096,1373 3.732,1374 3.565,1375 0.127,1376 0.102,1377 5.922,1378 2.855,1379 2.626,1380 0.088,1381 0.046,1382 4.156,1383 1.372,1384 0.498,1385 57.733,1386 0.317,1387 14.288,1388 0.931,1389 70,1390 269.063,1391 149.576,1392 365.382,1393 471.44,1394 336,1395 79,1396 263.891,1397 158.164,1398 325.146,1399 464.52,1400 302,1401 4.795}
{0 CHEMBL2000686,1 1.675,2 11.087,3 2.326,4 5.41,5 91.892,6 8.714,7 0.68,8 3.717,9 3.822,10 3.473,11 3.37,12 4.932,13 3.326,14 4.154,15 4.29,16 3.764,17 3.711,18 5.333,19 3.634,20 4.344,21 4.515,22 3.863,23 3.758,24 5.526,25 3.665,26 4.273,27 4.487,28 3.651,29 3.631,30 5.331,31 3.504,32 4.147,33 4.338,34 3.467,35 3.494,36 5.27,37 3.382,38 4.134,39 4.344,40 3.391,41 3.362,42 5.362,43 3.282,44 4.048,45 4.254,46 3.395,47 3.255,48 5.38,49 3.196,50 3.908,51 4.117,52 3.209,53 3.154,54 5.118,55 3.06,56 0.048,57 0.556,58 5.855,59 3.128,60 6.114,61 3.598,62 0.133,63 0.86,64 12.497,65 5.36,66 15.786,67 5.868,68 0.256,69 1.016,70 17.751,71 6.557,72 33.11,73 7.257,74 0.199,75 0.958,76 18.232,77 6.52,78 23.55,79 7.5,80 0.164,81 0.82,82 15.587,83 5.806,84 21.081,85 6.35,86 0.211,87 0.772,88 15.229,89 5.533,90 29.684,91 6.405,92 0.238,93 0.698,94 12.779,95 4.688,96 37.782,97 5.251,98 0.209,99 0.63,100 13.833,101 4.388,102 31.378,103 4.517,104 2,105 32,106 0.297,107 0.606,108 0.77,109 0.887,110 0.916,111 0.916,112 3.187,113 0.96,114 -3.12,115 -3.11,116 -2.99,120 45.9,126 1,143 7,144 2,145 1,146 3,147 1,156 1,159 1,170 1,174 7,177 5,180 1,185 6,188 1,189 7,194 2,197 5,200 1,201 3,206 1,209 4,214 2,217 1,219 2,222 2,226 1,227 4,230 1,232 2,235 1,239 2,240 5,245 2,247 1,252 4,257 1,260 2,264 2,271 3,274 737,275 15.966,276 15.966,277 15.966,278 15.966,279 15.966,280 13.591,281 6.152,282 9.915,283 16.302,284 12.381,285 12.381,286 12.381,287 12.381,288 12.381,289 8.908,290 3.228,291 4.738,292 12.896,293 3.535,294 1.796,295 0.876,296 0.216,297 0.054,298 0.054,299 3.877,305 1,306 1,307 1,308 553,309 3.162,313 207.195,317 106.066,320 1.735,321 16.296,322 1,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 49,333 255,334 4.493,335 4.479,336 6.506,337 3.992,338 3.032,339 4.43,340 3.359,341 10.196,342 2.914,343 3.948,344 3.578,345 5.343,346 3.518,347 2.533,348 3.51,349 1.714,350 6.972,351 2.492,352 3.678,353 2.884,354 5.229,355 3.35,356 2.365,357 2.949,359 6.398,360 2.317,361 3.475,362 2.6,363 4.991,364 3.017,365 2.064,366 2.793,368 5.884,369 1.941,370 3.118,371 2.385,372 4.164,373 2.586,374 1.618,375 2.427,377 3.8,378 1.565,379 3.057,380 1.817,381 3.676,382 2.504,383 1.548,384 2.235,386 3.229,387 1.478,388 2.77,389 1.618,390 3.597,391 2.262,392 1.278,393 1.904,395 2.854,396 1.256,397 2.586,398 1.324,399 3.427,400 2.064,401 1.129,402 1.504,404 2.487,405 1.045,406 2.5,407 1.309,408 3.257,409 1.956,410 1,411 1.5,413 2.136,414 0.953,415 2.401,416 1.185,417 3.247,418 1.878,419 0.936,420 1.336,422 2.096,423 0.869,424 1.776,425 1,426 2.914,427 1.357,428 0.468,429 0.589,431 1.063,432 0.403,433 1.208,434 0.571,435 2.46,436 0.86,437 -0.122,438 -0.151,440 -0.282,441 -0.118,442 1.036,443 0.373,444 2.289,445 0.559,446 -0.402,447 -0.541,449 -0.949,450 -0.374,451 0.882,452 -0.155,453 2,454 0.36,455 -0.618,456 -0.927,458 -1.478,459 -0.603,460 0.706,461 -0.618,462 1.948,463 0.152,464 -0.816,465 -1.161,467 -1.741,468 -0.777,469 11.267,470 0.49,471 0.346,472 0.015,473 33.75,474 1.467,475 19.5,476 0.848,477 14.25,478 0.62,479 14.028,480 0.61,481 22.933,482 0.62,483 21.652,484 0.941,485 6.802,486 0.296,487 4.524,488 0.197,489 0.03,491 0.222,496 0.643,497 1.013,498 0.692,499 0.829,500 0.554,501 0.81,502 0.822,503 1.108,504 1.124,505 1.088,506 0.72,507 0.998,508 1.065,509 1.163,510 1.075,511 1.139,512 1.18,513 1.043,514 0.92,515 0.983,516 1.165,517 1.073,518 0.708,519 0.994,520 1.189,521 1.107,522 1.332,523 1.251,524 1.185,525 1.153,526 1.219,527 1.044,528 1.019,529 1.074,530 1.391,531 1.012,532 1.678,533 0.946,534 0.831,535 0.825,536 2.047,537 0.867,538 1.918,539 0.992,540 1.321,541 1.036,542 2.118,543 0.916,544 3,545 0.062,546 2,547 0.875,548 0.627,549 0.438,550 0.326,551 0.141,552 0.114,553 0.077,554 6629,555 19413,556 2.119,557 37.8,559 9,561 4,562 1,567 1.65,568 2.06,569 3.422,570 -0.284,571 1,572 1,574 1,575 61.96,576 1.675,577 3.413,578 4.334,579 4.993,580 5.155,581 5.155,582 2.84,583 4.002,584 4.499,585 3.609,586 912.967,587 7.705,588 11079.3,589 1,590 1,592 1,593 192.75,594 0.998,595 4.488,596 0.12,597 0.004,598 0.063,599 0.028,600 0.025,601 0.02,602 0.016,603 0.007,604 0.007,605 0.005,606 0.295,607 0.33,608 1,609 0.393,610 110.663,611 0.04,612 0.027,613 0.056,614 0.045,615 -0.017,616 0.024,617 -0.018,618 -0.054,619 -0.138,620 -0.083,621 -0.047,622 -0.11,623 0.009,624 -0.15,625 0.01,626 -0.097,627 -0.072,628 -0.101,629 -0.039,630 0.042,631 0.002,632 0.01,633 0.005,634 0.009,635 -0.112,636 -0.103,637 -0.211,638 -0.192,639 -0.094,640 -0.184,641 0.104,642 -0.094,643 -0.01,644 -0.101,645 0.128,646 -0.032,647 0.014,648 0.008,649 0.126,650 0.096,651 0.052,652 0.074,653 -0.336,654 0.013,655 -0.101,656 0.053,657 -0.254,658 0.062,659 1.83,660 4.861,661 0.696,662 19.611,663 1.006,664 1.113,665 1.886,666 3.558,667 0.728,668 3.258,669 3.497,670 3.714,671 3.912,672 4.094,673 3.989,674 4.025,675 4.025,676 4.06,677 3.892,678 6.658,679 0.692,680 322.42,681 3.258,682 4.745,683 5.557,684 6.389,685 7.216,686 8.055,687 8.889,688 9.732,689 10.571,690 11.417,691 10.8,698 1,700 1,701 2,708 2,709 10,710 2,714 2,716 17,738 37,739 19,740 1,741 25,743 39,744 17,745 14,746 3,747 3,748 1,752 3,753 4,755 1,768 16,769 1,772 2,778 1,780 1,781 1,782 1,785 1,786 1,789 14,790 5,791 1,792 6,793 1,797 4,803 0.667,804 1,816 2,823 3,827 1,855 2,856 1,857 1,862 23,869 1,871 1,873 1,886 2.7,889 1,893 11.167,894 6.6,895 5.222,896 2.013,898 3.712,899 1.548,900 0.994,901 5.098,902 10.491,903 3.597,904 4.159,905 4.73,906 5.297,907 5.832,908 5.943,909 6.274,910 6.543,911 6.848,912 6.521,913 1,914 31,915 8.428,917 3.463,918 7.768,919 15.949,921 12.522,924 2.268,925 52.167,929 153.024,930 149.801,931 68.122,933 25.145,935 32.22,936 117.581,937 178.169,938 68.122,940 18.788,941 66.334,942 119.552,943 53.259,945 138.159,947 153.024,948 185.703,949 25.145,950 32.22,952 153.024,953 25.145,956 64.737,957 78.348,958 42.618,959 32.22,960 153.024,961 93.267,962 149.801,965 153.024,966 47.277,967 102.523,968 17.888,969 75.379,970 153.024,971 93.267,972 149.801,973 0.558,974 0.317,975 0.171,976 0.092,977 14,978 5,979 0.128,980 5,981 1,982 1.125,983 3.753,984 168.455,985 0.125,986 16,987 102.042,989 1,993 15.354,994 7.637,995 4.225,996 1.971,997 93.267,998 18.621,999 8.344,1003 1.813,1005 17.888,1006 396.092,1007 35.5,1013 11.861,1015 1.565,1016 3.923,1017 -0.164,1020 37.229,1021 41.199,1022 0.321,1023 0.655,1024 0.832,1025 0.958,1026 0.99,1027 0.99,1028 4.764,1029 1.129,1030 5.476,1031 2.854,1032 4.174,1033 4.844,1034 3.337,1035 6.184,1036 4.097,1037 5.941,1038 1,1039 6.961,1040 2.487,1041 3.434,1042 4.388,1043 1.593,1044 6.899,1045 3.37,1046 7.21,1047 0.936,1048 8.552,1049 2.136,1050 5.652,1051 7.029,1052 5.568,1053 9.996,1054 5.509,1055 8.519,1056 0.468,1057 10.211,1058 2.096,1059 5.802,1060 7.502,1061 3.49,1062 11.659,1063 5.656,1064 9.863,1065 -0.122,1066 11.918,1067 1.063,1068 7.412,1069 9.531,1070 7.945,1071 14.24,1072 7.205,1073 11.234,1074 -0.402,1075 13.66,1076 -0.282,1077 8.019,1078 10.496,1079 5.885,1080 16.293,1081 7.791,1082 12.627,1083 -0.618,1084 15.429,1085 -0.949,1086 9.344,1087 12.235,1088 10.35,1089 18.706,1090 9.068,1091 3.032,1092 -0.816,1093 17.218,1094 -1.478,1095 10.193,1096 13.462,1097 8.462,1098 20.919,1099 9.883,1100 2.533,1101 10.196,1102 19.023,1103 -1.741,1104 11.386,1105 15.063,1106 12.762,1107 23.275,1108 11.034,1109 2.365,1110 6.972,1111 20.84,1112 4.43,1113 12.361,1114 16.423,1115 11.056,1116 25.552,1117 11.968,1118 2.064,1119 6.398,1120 22.668,1121 3.51,1122 13.497,1123 17.959,1124 15.175,1125 27.888,1126 13.063,1127 1.618,1128 5.884,1129 24.504,1130 2.949,1131 14.536,1132 19.385,1133 13.632,1134 30.191,1135 14.058,1136 1.548,1137 3.8,1138 26.347,1139 2.793,1140 15.649,1141 20.892,1142 17.589,1143 32.518,1144 15.131,1145 1.278,1146 3.229,1147 28.195,1148 2.427,1149 16.72,1150 22.35,1151 16.188,1152 34.832,1153 16.158,1154 6308,1155 10923,1156 17.277,1157 26.932,1158 36.364,1159 39.63,1160 36.383,1161 35.848,1162 35.94,1163 50.353,1164 10.145,1165 94.227,1166 34.466,1167 5.367,1168 6.479,1169 6.308,1170 5.104,1171 5.032,1172 7.43,1173 6.685,1174 16.976,1175 4.914,1176 5.834,1177 1.455,1178 1.585,1179 1.455,1180 1.434,1181 1.438,1182 2.014,1183 0.406,1184 3.769,1185 1.379,1186 4.058,1187 4.082,1188 4.117,1189 4.011,1190 7.429,1191 4.001,1192 3.882,1193 3.926,1194 3.826,1195 3.773,1196 4.989,1197 3.78,1198 3.595,1199 3.637,1200 3.716,1201 3.47,1202 4.941,1203 3.431,1204 3.435,1205 3.484,1206 3.38,1207 3.303,1208 4.604,1209 3.309,1210 3.199,1211 3.261,1212 3.228,1213 3.043,1214 4.383,1215 3.036,1216 2.979,1217 3.022,1218 2.985,1219 2.863,1220 3.96,1221 2.859,1222 2.771,1223 2.856,1224 2.684,1225 2.587,1226 3.816,1227 2.577,1228 2.692,1229 2.777,1230 2.62,1231 2.559,1232 3.691,1233 2.557,1234 0.18,1235 0.179,1236 0.26,1237 0.16,1238 0.121,1239 4.493,1240 0.177,1241 4.479,1242 0.134,1243 6.506,1244 0.408,1245 3.992,1246 0.117,1247 3.032,1248 4.43,1249 3.359,1250 10.196,1251 2.914,1252 2.027,1253 2.007,1254 2.091,1255 2.099,1256 1.222,1257 2.105,1258 1.842,1259 1.804,1260 1.953,1261 1.976,1262 0.971,1263 1.971,1264 1.506,1265 1.476,1266 1.633,1267 1.733,1268 0.832,1269 1.709,1270 1.414,1271 1.368,1272 1.584,1273 1.568,1274 0.635,1275 1.587,1276 1.149,1277 1.09,1278 1.338,1279 1.356,1280 0.336,1281 1.368,1282 0.943,1283 0.904,1284 1.109,1285 1.1,1286 0.194,1287 1.117,1288 0.746,1289 0.664,1290 1.035,1291 0.993,1292 0.048,1293 1.018,1294 0.688,1295 0.635,1296 0.936,1297 0.92,1299 0.943,1300 3.932,1302 5.187,1304 6.648,1306 8.203,1308 9.808,1315 0.278,1317 2.511,1319 1.443,1326 25.622,1327 61.96,1328 126.29,1329 160.343,1330 184.75,1331 190.75,1332 190.75,1333 31.727,1334 6.779,1335 67.24,1336 92.54,1337 18,1338 11.979,1339 4.322,1340 3.524,1341 37.177,1342 93,1343 84,1344 0.191,1345 164.69,1346 277.78,1347 393.605,1348 8437,1350 15.908,1351 0.692,1352 0.567,1353 16.261,1354 13.033,1355 11.326,1356 0.453,1357 0.32,1358 7.02,1359 10.517,1360 6.776,1361 5.65,1362 11.781,1363 7.998,1364 9.517,1365 0.297,1366 0.179,1367 10.068,1368 5.717,1369 7.787,1370 0.195,1371 0.102,1372 8.556,1373 4.089,1374 6.304,1375 0.129,1376 0.058,1377 7.032,1378 2.833,1379 5.06,1380 0.086,1381 0.033,1382 5.751,1383 1.929,1384 0.311,1385 74.986,1386 0.241,1387 23.268,1388 0.495,1389 114,1390 353.864,1391 144.714,1392 368.948,1393 499.04,1394 346,1395 129,1396 345.37,1397 158.615,1398 364.918,1399 522.48,1400 342,1401 5.156}
{0 CHEMBL2001424,1 1.436,2 10.87,3 4.121,4 16.981,5 92.871,6 7.272,7 0.68,8 3.822,9 3.942,10 3.372,11 3.401,12 4.952,13 3.368,14 4.296,15 4.467,16 3.676,17 3.743,18 5.351,19 3.688,20 4.504,21 4.716,22 3.694,23 3.798,24 5.565,25 3.724,26 4.527,27 4.761,28 3.576,29 3.728,30 5.585,31 3.633,32 4.469,33 4.709,34 3.466,35 3.658,36 5.496,37 3.564,38 4.379,39 4.607,40 3.323,41 3.603,42 5.377,43 3.485,44 4.359,45 4.632,46 3.162,47 3.508,48 5.237,49 3.363,50 4.174,51 4.432,52 3.179,53 3.407,54 5.09,55 3.288,56 0.061,57 0.597,58 8.591,59 3.797,60 9.017,61 5.01,62 0.121,63 0.941,64 14.79,65 5.877,66 13.267,67 8.179,68 0.189,69 1.112,70 19.496,71 6.999,72 26.66,73 9.886,74 0.28,75 1.121,76 20.692,77 7.098,78 35.429,79 10.039,80 0.235,81 1.003,82 20.064,83 6.837,84 37.319,85 9.417,86 0.181,87 0.925,88 17.818,89 6.485,90 30.725,91 8.922,92 0.187,93 0.883,94 18.325,95 6.54,96 28.446,97 9.334,98 0.087,99 0.746,100 14.646,101 5.687,102 18.076,103 8.134,104 5,105 33,106 0.25,107 0.562,108 0.684,109 0.781,110 0.828,111 0.837,112 3.187,113 0.916,114 -4.72,115 -4.63,116 -4.35,120 45.2,121 1,122 1,126 1,143 10,144 2,145 1,147 1,154 1,156 1,167 1,174 11,177 7,180 1,182 1,185 13,189 6,192 1,197 7,200 2,201 6,204 1,206 3,209 4,214 3,219 2,222 5,227 5,232 2,235 6,240 4,245 1,247 4,252 5,257 2,260 5,264 4,269 2,271 6,274 780,275 15.811,276 15.811,277 15.811,278 15.811,279 15.811,280 13.462,281 16.215,282 9.714,283 16.016,284 12.356,285 12.356,286 12.356,287 12.356,288 12.356,289 8.996,290 17.798,291 4.635,292 12.692,293 3.957,294 2.165,295 1.464,296 0.911,297 0.637,298 0.589,299 3.871,306 1,307 1,308 538,309 2.646,312 67.907,313 165.414,320 1.701,321 14.892,323 1,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 48.5,333 250,334 4.576,335 3.362,336 6.769,337 4.156,338 3.204,339 4.321,340 0.6,341 11.003,342 3.049,343 3.924,344 2.739,345 5.938,346 3.53,347 2.546,348 3.459,350 8.195,351 2.52,352 3.894,353 2.671,354 5.34,355 3.507,356 2.515,357 3.442,359 6.965,360 2.478,361 3.264,362 2.094,363 4.903,364 2.79,365 1.828,366 2.539,368 4.987,369 1.757,370 3.093,371 2.074,372 4.476,373 2.662,374 1.712,375 2.237,377 4.352,378 1.626,379 2.937,380 1.658,381 3.759,382 2.536,383 1.558,384 2.101,386 3.342,387 1.517,388 2.82,389 1.55,390 3.596,391 2.316,392 1.354,393 1.895,395 2.931,396 1.297,397 2.5,398 1.107,399 3.457,400 2.038,401 1.057,402 1.5,404 2.541,405 1.035,406 2.5,407 1,408 3.247,409 2,410 1,411 1.5,413 2.136,414 1,415 2.467,416 1,417 3.247,418 2,419 1,420 1.436,422 2.136,423 1,424 1.839,425 0.768,426 3.014,427 1.474,428 0.509,429 0.64,431 1.187,432 0.489,433 1.113,434 0.342,435 2.556,436 0.881,437 -0.064,438 -0.072,440 -0.147,441 -0.06,442 0.804,443 -0.214,444 2.375,445 0.398,446 -0.563,447 -0.724,449 -1.299,450 -0.537,451 0.727,452 -0.354,453 2.085,454 0.351,455 -0.625,456 -0.794,458 -1.401,459 -0.608,460 0.5,461 -0.807,462 1.768,464 -1,465 -1.313,467 -2.347,468 -0.936,469 11.033,470 0.48,471 0.418,472 0.018,473 32,474 1.391,475 18,476 0.783,477 14,478 0.609,479 15.281,480 0.664,481 23.767,482 0.566,483 21.423,484 0.931,485 6.626,486 0.288,487 4.628,488 0.201,489 0.076,491 0.263,496 0.842,497 1.124,498 0.821,499 0.994,500 0.951,501 0.926,502 0.739,503 1.246,504 0.888,505 1.06,506 0.714,507 0.997,508 1.04,509 1.178,510 0.985,511 1.056,512 0.885,513 1.012,514 1.153,515 1.048,516 1.092,517 1.053,518 0.986,519 1.057,520 1.69,521 0.903,522 1.072,523 0.863,524 1.746,525 0.895,526 1.467,527 1.064,528 1.217,529 1.088,530 1.544,531 1.123,532 1.146,533 0.847,534 1.012,535 0.869,536 1.157,537 0.916,538 0.663,539 0.992,540 0.794,541 0.954,542 0.602,543 0.898,544 3,545 0.07,546 2.222,547 1.764,548 0.957,549 0.539,550 0.254,551 0.24,552 0.149,553 0.124,554 6264,555 15030,556 2.093,557 45.2,559 12,561 1,562 1,563 3,564 2,567 1.652,568 2,569 3.391,570 -0.369,572 1,575 60.301,576 1.436,577 3.227,578 3.928,579 4.481,580 4.755,581 4.803,582 2.856,583 4.089,584 4.494,585 3.565,586 901.838,587 7.712,588 10635.1,590 1,592 1,593 226.477,594 1.214,595 4.473,596 0.12,597 0.005,598 0.067,599 0.055,600 0.035,601 0.022,602 0.012,603 0.013,604 0.008,605 0.007,606 0.345,607 0.33,608 1,609 0.503,610 109.619,611 0.052,612 -0.014,613 0.043,614 0.007,615 -0.1,616 0.014,617 0.112,618 -0.161,619 0.017,620 -0.088,621 -0.01,622 -0.054,623 0.049,624 -0.128,625 -0.02,626 -0.111,627 0.077,628 -0.076,629 0.087,630 -0.009,631 -0.094,632 -0.127,633 0.124,634 -0.13,635 -0.22,636 0.079,637 -0.047,638 0.084,639 -0.169,640 0.047,641 -0.218,642 -0.083,643 -0.228,644 -0.126,645 -0.217,646 -0.17,647 -0.122,648 0.09,649 0.001,650 0.1,651 -0.114,652 0.071,653 0.089,654 -0.06,655 0.184,656 0.041,657 0.159,658 0.112,659 1.544,660 4.389,661 0.739,662 21.127,663 0.993,664 1.12,665 3.486,666 12.15,667 0.68,668 3.258,669 3.526,670 3.784,671 4.007,672 4.127,673 4.025,674 4.078,675 4.111,676 4.094,677 4.078,678 6.37,679 0.643,680 305.41,681 3.258,682 4.762,683 5.595,684 6.447,685 7.299,686 8.162,687 9.024,688 9.893,689 10.761,690 11.636,691 7.1,699 1,700 1,701 1,709 10,710 1,714 5,715 1,716 17,719 1,734 1,738 42,739 18,740 2,741 25,743 44,744 19,745 15,746 2,747 10,748 1,752 3,753 3,759 1,766 1,768 16,769 3,772 1,780 1,781 1,786 1,789 19,790 3,791 1,792 4,797 3,803 1,804 1,814 1,822 1,823 2,855 3,859 1,862 23,868 1,869 2,886 2.4,888 1,893 11.5,894 7.717,895 5.194,896 2.462,898 3.415,899 1.507,900 0.964,901 4.769,902 10.151,903 3.57,904 4.147,905 4.726,906 5.29,907 5.711,908 5.799,909 6.162,910 6.467,911 6.737,912 6.959,913 1,914 32,915 8.465,917 3.488,918 7.645,919 16.261,921 12.932,924 2.145,925 49.333,928 1,929 211.88,930 129.16,931 35.225,933 42.683,936 129.16,937 254.563,938 35.225,939 8.825,940 4.64,941 94.762,942 80.165,943 30.447,945 200.109,947 211.88,948 164.385,949 42.683,952 188.338,953 66.226,956 34.784,957 103.89,958 25.71,960 211.88,961 77.908,962 129.16,965 211.88,966 16.525,967 114.412,969 76.132,970 211.88,971 77.908,972 129.16,973 0.565,974 0.333,975 0.183,976 0.094,977 15,978 6,979 0.114,980 5,982 1,983 3.677,984 172.855,986 17,987 96.042,993 15.354,994 7.144,995 3.622,997 76.132,998 19.813,999 4.393,1003 3.636,1004 1.536,1005 42.683,1006 418.948,1007 34.5,1015 1.708,1016 4.427,1020 41.702,1021 47.026,1022 0.266,1023 0.599,1024 0.729,1025 0.831,1026 0.882,1027 0.891,1028 4.756,1029 1.057,1030 5.541,1031 2.931,1032 4.205,1033 4.832,1034 0.542,1035 6.312,1036 4.148,1037 5.946,1038 1,1039 7.071,1040 2.541,1041 3.611,1042 4.407,1044 7.163,1045 3.496,1046 7.229,1047 1,1048 8.712,1049 2.136,1050 5.74,1051 7,1052 0.23,1053 10.305,1054 5.616,1055 8.555,1056 0.509,1057 10.424,1058 2.136,1059 6.066,1060 7.495,1062 12.085,1063 5.87,1064 9.919,1065 -0.064,1066 12.184,1067 1.187,1068 7.606,1069 9.474,1070 0.089,1071 14.726,1072 7.399,1073 11.311,1074 -0.563,1075 13.977,1076 -0.147,1077 8.376,1078 10.431,1080 16.868,1081 8.091,1082 12.727,1083 -0.625,1084 15.794,1085 -1.299,1086 9.673,1087 12.128,1088 0.033,1089 19.348,1090 9.365,1091 3.204,1092 -1,1093 17.63,1094 -1.401,1095 10.653,1096 13.326,1098 21.637,1099 10.27,1100 2.546,1101 11.003,1102 19.479,1103 -2.347,1104 11.855,1105 14.891,1106 0.012,1107 24.062,1108 11.436,1109 2.515,1110 8.195,1111 21.339,1112 4.321,1113 12.931,1114 16.215,1116 26.412,1117 12.443,1118 1.828,1119 6.965,1120 23.208,1121 3.459,1122 14.1,1123 17.719,1124 0.004,1125 28.819,1126 13.567,1127 1.712,1128 4.987,1129 25.083,1130 3.442,1131 15.221,1132 19.108,1134 31.195,1135 14.624,1136 1.558,1137 4.352,1138 26.965,1139 2.539,1140 16.38,1141 20.585,1142 0.002,1143 33.595,1144 15.733,1145 1.354,1146 3.342,1147 28.851,1148 2.237,1149 17.522,1150 22.009,1152 35.983,1153 16.816,1154 6016,1155 9440,1156 16.989,1157 28.563,1158 37.27,1159 36.965,1160 37.414,1161 36.633,1162 36.566,1163 50.142,1164 1.2,1165 99.547,1166 35.535,1167 5.354,1168 5.362,1169 6.571,1170 5.18,1171 5.204,1172 7.321,1173 1.2,1174 18.303,1175 5.049,1176 8.144,1177 1.491,1178 1.479,1179 1.497,1180 1.465,1181 1.463,1182 2.006,1183 0.048,1184 3.982,1185 1.421,1186 4.041,1187 4.085,1188 4.009,1189 3.91,1190 6.471,1191 3.924,1192 3.913,1193 3.947,1194 3.837,1195 3.85,1196 4.913,1197 3.843,1198 3.767,1199 3.803,1200 3.698,1201 3.672,1202 4.756,1203 3.677,1204 3.466,1205 3.541,1206 3.341,1207 3.29,1208 4.67,1209 3.289,1210 3.11,1211 3.199,1212 2.933,1213 2.899,1214 4.472,1215 2.89,1216 3.026,1217 3.099,1218 2.884,1219 2.851,1220 3.788,1221 2.859,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.75,1227 2.715,1228 2.854,1229 2.925,1230 2.687,1231 2.735,1232 3.674,1233 2.715,1234 0.183,1235 0.134,1236 0.271,1237 0.166,1238 0.128,1239 4.576,1240 0.173,1241 3.362,1242 0.024,1243 6.769,1244 0.44,1245 4.156,1246 0.122,1247 3.204,1248 4.321,1249 0.6,1250 11.003,1251 3.049,1252 1.921,1253 1.89,1254 2.056,1255 2.014,1256 1.221,1257 2.027,1258 1.898,1259 1.866,1260 2.014,1261 2.005,1262 1.08,1263 2.009,1264 1.655,1265 1.618,1266 1.806,1267 1.804,1268 0.915,1269 1.806,1270 1.418,1271 1.348,1272 1.684,1273 1.629,1274 0.839,1275 1.645,1276 1.292,1277 1.231,1278 1.444,1279 1.555,1280 0.512,1281 1.524,1282 0.978,1283 0.899,1284 1.219,1285 1.219,1286 0.277,1287 1.239,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.886,1295 0.821,1296 1.181,1297 1.062,1298 0.218,1299 1.107,1300 3.932,1302 5.209,1303 2.398,1304 6.686,1305 4.844,1306 8.249,1307 7.002,1308 9.857,1310 1.873,1314 10.389,1315 1.559,1326 26.993,1327 60.301,1328 135.553,1329 164.993,1330 188.213,1331 199.722,1332 201.722,1333 32.517,1334 6.736,1335 50.41,1336 50.41,1337 17,1338 12.178,1339 4.248,1340 3.392,1341 37.077,1342 86,1343 86,1344 0.205,1345 168.877,1346 285.51,1347 403.821,1348 7334,1350 16.071,1351 0.699,1352 0.568,1353 16.071,1354 13.054,1355 11.254,1356 0.45,1357 0.305,1358 7.562,1359 10.962,1360 7.349,1361 6.15,1362 11.254,1363 7.632,1364 9.586,1365 0.29,1366 0.162,1367 9.586,1368 5.341,1369 8.105,1370 0.188,1371 0.085,1372 8.105,1373 3.675,1374 6.675,1375 0.124,1376 0.045,1377 6.675,1378 2.422,1379 5.056,1380 0.083,1381 0.025,1382 5.056,1383 1.535,1384 0.328,1385 69.547,1386 0.243,1387 23.075,1388 0.544,1389 116,1390 307.085,1391 124.403,1392 306.636,1393 426.87,1394 288,1395 134,1396 322.661,1397 143.653,1398 328.9,1399 476.09,1400 310,1401 4.069}
{0 CHEMBL2002162,1 1.42,2 7.4,3 2.627,4 6.901,5 91.78,6 7.37,8 3.925,9 4.016,10 3.451,11 3.428,12 5.115,13 3.416,14 4.478,15 4.623,16 3.862,17 3.805,18 5.694,19 3.788,20 4.772,21 4.907,22 4.037,23 4.026,24 6.037,25 3.998,26 5.082,27 5.272,28 4.151,29 4.167,30 6.243,31 4.133,32 5.096,33 5.261,34 4.191,35 4.215,36 6.453,37 4.177,38 5.061,39 5.261,40 4.096,41 4.172,42 6.354,43 4.101,44 4.97,45 5.184,46 3.794,47 3.971,48 6.337,49 3.873,50 4.756,51 5.025,52 3.292,53 3.607,54 6.123,55 3.443,56 0.085,57 0.586,58 9.584,59 4.871,60 23.067,61 5.788,62 0.42,63 0.937,64 18.794,65 7.824,66 58.055,67 9.763,68 0.461,69 1.231,70 25.202,71 10.206,72 86.131,73 12.529,74 0.983,75 1.534,76 38.405,77 12.712,78 158.343,79 16.062,80 1.268,81 1.57,82 38.426,83 12.952,84 208.473,85 16.013,86 0.904,87 1.555,88 36.788,89 13.133,90 148.296,91 17.303,92 0.926,93 1.354,94 34.823,95 11.43,96 175.646,97 15.157,98 0.785,99 1.045,100 29.649,101 9.029,102 164.446,103 12.92,104 85,105 38,106 0.246,107 0.602,108 0.76,109 0.835,110 0.886,111 0.886,112 3.268,113 0.917,114 -2.91,115 -2.92,116 -2.82,120 40.4,121 3,122 1,123 1,128 3,135 2,136 2,137 4,157 1,159 2,174 9,176 2,177 9,182 1,185 8,189 12,192 1,194 3,197 5,200 1,201 11,206 1,209 13,213 1,214 6,217 3,219 3,222 15,226 3,227 12,232 1,235 13,239 1,240 7,243 1,245 2,247 7,251 2,252 6,257 2,260 4,264 2,271 4,274 798,275 15.637,276 15.637,277 15.637,278 15.637,279 15.637,280 14.467,281 20.579,282 8.829,283 15.804,284 12.727,285 12.727,286 12.727,287 12.727,288 12.727,289 10.717,290 21.416,291 4.152,292 12.992,293 4.135,294 2.077,295 1.16,296 0.729,297 0.431,298 0.431,299 3.916,305 1,306 1,307 1,308 370,309 3.391,312 43.204,317 98.562,320 0.976,321 49.242,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 56,333 185,334 4.426,335 3.867,336 6.985,337 4.271,338 3.303,339 3.641,340 1.674,341 11.818,342 3.193,343 4.065,344 3.678,345 6.136,346 3.724,347 2.746,348 3.418,349 1.674,350 8.687,351 2.711,352 4.008,353 3.45,354 5.822,355 3.666,356 2.673,357 3.298,358 1.023,359 7.845,360 2.623,361 3.821,362 3.223,363 5.557,364 3.508,365 2.506,366 3.039,367 0.68,368 7.098,369 2.496,370 3.513,371 3.002,372 5.379,373 3.241,374 2.236,375 2.608,377 6.663,378 2.228,379 3.123,380 2.578,381 4.887,382 2.807,383 1.819,384 2.151,386 5.194,387 1.791,388 2.906,389 2.176,390 4.677,391 2.602,392 1.613,393 1.885,395 4.651,396 1.574,397 2.741,398 1.972,399 4.269,400 2.253,401 1.299,402 1.639,404 3.549,405 1.219,406 2.507,407 1.879,408 3.594,409 1.959,410 0.954,411 1.29,413 2.253,414 0.942,415 1.861,416 1.319,417 3.353,418 1.539,419 0.612,420 0.691,422 1.516,423 0.558,424 1.306,425 0.821,426 2.899,427 0.895,428 -0.112,429 -0.139,431 -0.298,432 -0.112,433 1.138,434 0.584,435 2.409,436 0.736,437 -0.245,438 -0.311,440 -0.622,441 -0.235,442 0.816,443 0.368,444 2.365,445 0.544,446 -0.451,447 -0.493,449 -1.1,450 -0.445,451 0.71,452 -0.03,453 2.18,454 0.414,455 -0.667,456 -0.962,458 -1.483,459 -0.714,460 0.481,461 -0.134,462 2,463 0.126,464 -0.847,465 -1,467 -2,468 -0.803,469 11.5,470 0.46,471 0.974,472 0.039,473 25.5,474 1.02,475 10.5,476 0.42,477 15,478 0.6,479 25.89,480 1.036,481 28.7,482 0.611,483 24.076,484 0.963,485 5.272,486 0.211,487 6.34,488 0.254,489 0.333,491 0.478,496 0.729,497 1.229,498 0.794,499 1.206,500 0.71,501 1.049,502 0.711,503 1.041,504 0.724,505 1.022,506 0.571,507 0.901,508 0.99,509 1.344,510 1.03,511 1.326,512 0.796,513 1.212,514 1.279,515 0.904,516 1.011,517 0.888,518 1.137,519 0.88,520 1.266,521 0.943,522 1.146,523 0.946,524 1.182,525 1.002,526 0.844,527 1.089,528 0.952,529 1.089,530 0.975,531 1.056,532 1.069,533 1.081,534 1.145,535 1.092,536 1.146,537 1.131,538 0.834,539 0.971,540 1.001,541 0.987,542 0.856,543 1.03,544 7,546 3.556,547 2.917,548 1.86,549 1.632,550 1.111,551 0.57,552 0.173,553 0.031,554 5063,555 16824,556 1.863,557 46.8,558 9,559 9,562 1,564 2,565 1,567 1.694,568 1.648,569 2.871,570 -0.317,571 1,572 1,575 66.738,576 1.42,577 3.478,578 4.394,579 4.826,580 5.123,581 5.123,582 2.143,583 4.324,584 4.62,585 3.012,586 903.553,587 8.059,588 10670.3,590 1,592 1,593 261.066,594 1.516,595 4.502,596 0.269,598 0.094,599 0.068,600 0.039,601 0.033,602 0.025,603 0.019,604 0.011,605 0.005,606 0.563,607 0.5,608 1,609 1.274,610 116.153,611 -0.046,612 -0.038,613 0.019,614 -0.029,615 -0.107,616 0.005,617 0.138,618 0.046,619 0.177,620 0.058,621 0.097,622 0.116,623 -0.045,624 -0.267,625 -0.118,626 -0.264,627 -0.009,628 -0.219,629 -0.146,630 0.072,631 -0.007,632 0.079,633 -0.149,634 0.074,635 -0.062,636 0.057,637 -0.147,638 0.036,639 -0.053,640 -0.059,641 0.069,642 -0.096,643 0.008,644 -0.095,645 0.011,646 -0.066,647 -0.049,648 -0.129,649 -0.15,650 -0.139,651 -0.011,652 -0.165,653 0.07,654 -0.083,655 0.018,656 -0.081,657 0.168,658 -0.051,659 2.532,660 5.019,661 0.52,662 15.997,663 1.015,664 1.124,665 1.681,666 2.826,667 0.64,668 3.296,669 3.664,670 3.892,671 4.127,672 4.304,673 4.466,674 4.511,675 4.543,676 4.533,677 4.431,678 4.872,679 0.619,680 346.41,681 3.296,682 4.86,683 5.707,684 6.603,685 7.478,686 8.38,687 9.268,688 10.174,689 11.068,690 11.977,738 47,739 7,741 26,743 48,744 19,748 11,752 2,753 3,759 3,763 4,764 1,766 4,768 11,769 8,770 1,772 7,773 2,778 3,780 2,782 7,785 1,786 1,789 22,790 6,791 1,792 6,803 0.5,804 6,806 1,822 1,827 1,836 1,841 2,843 2,845 2,846 4,853 1,855 1,859 3,862 25,868 1,869 1,872 2,874 4,886 12.8,887 1,889 3,891 2,893 15.167,894 9.283,895 5.444,896 2.636,898 1.163,899 1.169,900 0.872,901 5.685,902 8.032,903 3.526,904 4.007,905 4.357,906 4.605,907 4.852,908 5.17,909 5.342,910 5.591,911 5.756,912 5.829,913 0.8,914 43,915 9.413,917 4.172,918 8.24,919 17.004,921 13.845,924 2.74,925 68.5,928 1,929 247.193,930 111.755,933 140.118,936 111.755,937 387.311,939 26.476,940 34.068,941 61.636,942 94.951,943 34.742,945 247.193,947 247.193,948 111.755,949 140.118,952 211.88,953 132.748,954 42.683,956 29.01,957 63.792,958 18.952,960 247.193,961 140.118,962 111.755,965 247.193,966 34.793,967 45.428,969 171.652,970 247.193,971 140.118,972 111.755,973 0.602,974 0.348,975 0.171,976 0.095,977 17,978 11,979 0.063,980 3,981 1,982 1.154,983 3.255,984 210.667,985 0.154,986 13,987 116.096,993 19.198,994 7.403,995 4.104,997 140.118,1005 42.683,1006 499.066,1007 33,1008 7.294,1013 36.042,1015 2.721,1017 -0.177,1020 47.683,1021 52.824,1022 0.256,1023 0.626,1024 0.791,1025 0.869,1026 0.922,1027 0.922,1028 4.82,1029 1.299,1030 5.753,1031 4.651,1032 4.344,1033 4.691,1034 2.724,1035 6.608,1036 4.301,1037 6.035,1038 0.954,1039 7.359,1040 3.549,1041 4.205,1042 4.691,1044 7.609,1045 4.161,1046 7.355,1047 0.612,1048 9.062,1049 2.253,1050 5.994,1051 6.666,1052 3.557,1053 10.726,1054 5.907,1055 8.696,1056 -0.112,1057 10.815,1058 1.516,1059 6.581,1060 7.366,1062 12.539,1063 6.479,1064 10.062,1065 -0.245,1066 12.602,1067 -0.298,1068 7.94,1069 8.899,1070 4.518,1071 15.224,1072 7.799,1073 11.443,1074 -0.451,1075 14.413,1076 -0.622,1077 8.842,1078 9.895,1080 17.408,1081 8.674,1082 12.838,1083 -0.667,1084 16.243,1085 -1.1,1086 10.057,1087 11.264,1088 5.524,1089 19.946,1090 9.852,1091 3.303,1092 -0.847,1093 18.089,1094 -1.483,1095 11.103,1096 12.393,1098 22.295,1099 10.863,1100 2.746,1101 11.818,1102 19.949,1103 -2,1104 12.275,1105 13.697,1106 6.546,1107 24.784,1108 11.998,1109 2.673,1110 8.687,1111 21.82,1112 3.641,1113 13.388,1114 14.89,1116 27.204,1117 13.073,1118 2.506,1119 7.845,1120 23.702,1121 3.418,1122 14.554,1123 16.167,1124 7.574,1125 29.677,1126 14.2,1127 2.236,1128 7.098,1129 25.592,1130 3.298,1131 15.701,1132 17.392,1134 32.125,1135 15.308,1136 1.819,1137 6.663,1138 27.49,1139 3.039,1140 16.87,1141 18.659,1142 8.603,1143 34.595,1144 16.44,1145 1.613,1146 5.194,1147 29.395,1148 2.608,1149 18.036,1150 19.903,1152 37.055,1153 17.567,1154 5347,1155 9816,1156 15.55,1157 30.102,1158 40.634,1159 42.747,1160 42.858,1161 39.45,1162 39.52,1163 47.323,1164 10.104,1165 118.548,1166 38.67,1167 5.395,1168 5.772,1169 5.985,1170 5.347,1171 5.303,1172 6.191,1173 3.349,1174 19.297,1175 5.193,1176 18.273,1177 1.563,1178 1.644,1179 1.648,1180 1.517,1181 1.52,1182 1.82,1183 0.389,1184 4.56,1185 1.487,1186 3.986,1187 4.002,1188 3.923,1189 3.868,1190 7.436,1191 3.876,1192 3.728,1193 3.744,1194 3.67,1195 3.61,1196 7.431,1197 3.62,1198 3.7,1199 3.723,1200 3.627,1201 3.557,1202 7.428,1203 3.564,1204 3.599,1205 3.645,1206 3.486,1207 3.496,1208 6.449,1209 3.487,1210 3.269,1211 3.297,1212 3.174,1213 3.081,1214 4.726,1215 3.093,1216 3.102,1217 3.154,1218 2.949,1219 2.847,1220 4.643,1221 2.859,1222 3.021,1223 3.104,1224 2.804,1225 2.79,1226 4.413,1227 2.778,1228 2.883,1229 2.943,1230 2.751,1231 2.573,1232 4.284,1233 2.592,1234 0.17,1235 0.149,1236 0.269,1237 0.164,1238 0.127,1239 4.426,1240 0.14,1241 3.867,1242 0.064,1243 6.985,1244 0.455,1245 4.271,1246 0.123,1247 3.303,1248 3.641,1249 1.674,1250 11.818,1251 3.193,1252 1.876,1253 1.851,1254 2.019,1255 2.003,1256 1.351,1257 2.007,1258 1.672,1259 1.647,1260 1.855,1261 1.839,1262 1.056,1263 1.838,1264 1.614,1265 1.578,1266 1.828,1267 1.767,1268 0.945,1269 1.786,1270 1.609,1271 1.571,1272 1.779,1273 1.737,1274 0.826,1275 1.751,1276 1.337,1277 1.323,1278 1.524,1279 1.586,1280 0.578,1281 1.554,1282 1.053,1283 0.985,1284 1.404,1285 1.344,1286 0.48,1287 1.362,1288 1.022,1289 0.948,1290 1.364,1291 1.303,1292 0.37,1293 1.325,1294 0.837,1295 0.742,1296 1.279,1297 1.156,1298 0.147,1299 1.192,1300 3.97,1302 5.323,1303 2.398,1304 6.834,1305 4.844,1306 8.421,1307 7.018,1308 10.056,1310 4.823,1314 10.532,1315 0.21,1318 10.753,1320 -3.698,1326 29.084,1327 66.738,1328 163.443,1329 206.536,1330 226.801,1331 240.801,1332 240.801,1333 93.621,1334 6.869,1335 89.9,1336 89.9,1337 15,1338 12.496,1339 3,1340 3,1341 50.861,1342 74,1343 70,1344 0.354,1345 181.724,1346 346.8,1347 435.166,1348 7496,1350 18.886,1351 0.755,1352 0.583,1353 18.886,1354 14.574,1355 11.612,1356 0.447,1357 0.306,1358 7.832,1359 11.113,1360 7.509,1361 6.264,1362 11.612,1363 7.951,1364 11.284,1365 0.297,1366 0.173,1367 11.284,1368 6.575,1369 8.857,1370 0.185,1371 0.09,1372 8.857,1373 4.329,1374 6.742,1375 0.111,1376 0.049,1377 6.742,1378 3.013,1379 5.015,1380 0.069,1381 0.027,1382 5.015,1383 1.939,1384 0.522,1385 73.614,1386 0.254,1387 23.17,1388 1.086,1389 128,1390 452.827,1391 145.271,1392 420.027,1393 541.52,1394 386,1395 150,1396 369.909,1397 167.054,1398 370.79,1399 542.8,1400 344,1401 5.091}
{0 CHEMBL2002898,1 1.513,2 12.241,3 4.144,4 17.174,5 112.755,6 7.578,7 0.656,8 4.031,9 4.147,10 3.621,11 3.594,12 5.168,13 3.577,14 4.533,15 4.695,16 3.958,17 3.958,18 5.619,19 3.928,20 4.761,21 4.954,22 4.021,23 4.071,24 5.887,25 4.017,26 4.789,27 5.007,28 3.917,29 4.058,30 5.791,31 3.973,32 4.745,33 4.963,34 3.77,35 3.968,36 5.755,37 3.865,38 4.703,39 4.945,40 3.679,41 3.82,42 5.779,43 3.719,44 4.609,45 4.88,46 3.601,47 3.615,48 5.72,49 3.551,50 4.358,51 4.585,52 3.46,53 3.465,54 5.519,55 3.43,56 0.036,57 0.745,58 9.837,59 4.5,60 8.524,61 5.758,62 0.163,63 1.175,64 18.241,65 7.174,66 21.812,67 9.444,68 0.489,69 1.413,70 24.777,71 8.825,72 51.552,73 11.87,74 0.267,75 1.432,76 25.915,77 9.763,78 32.128,79 13.364,80 0.211,81 1.35,82 24.889,83 9.453,84 32.978,85 12.814,86 0.268,87 1.276,88 25.004,89 8.691,90 44.183,91 12.134,92 0.341,93 1.143,94 24.271,95 7.172,96 48.323,97 10.224,98 0.318,99 0.882,100 18.095,101 5.313,102 41.773,103 6.981,104 11,105 44,106 0.25,107 0.6,108 0.75,109 0.843,110 0.874,111 0.874,112 3.407,113 0.892,114 -4.02,115 -3.97,116 -3.76,120 45.1,121 2,126 1,128 1,143 9,144 3,145 1,146 1,147 1,152 1,153 1,156 1,159 1,170 1,174 10,177 9,180 1,185 10,188 3,189 8,192 1,194 1,197 7,200 2,201 5,206 1,209 9,214 5,217 1,219 2,222 5,226 1,227 8,230 1,232 4,235 2,239 2,240 6,245 5,251 1,252 6,257 1,260 1,264 7,271 3,274 1297,275 19.828,276 19.828,277 19.828,278 19.828,279 19.828,280 17.079,281 14.351,282 11.868,283 20.146,284 15.814,285 15.814,286 15.814,287 15.814,288 15.814,289 11.617,290 11.627,291 5.603,292 16.315,293 4.16,294 2.041,295 1.128,296 0.569,297 0.383,298 0.383,299 4.107,306 1,307 1,308 778,309 3.808,312 66.99,313 241.676,316 125.232,317 135.972,320 1.803,321 20.764,324 1,325 1,326 1,327 0.6,328 0.5,329 1,330 1,331 0.87,332 62,333 355,334 4.663,335 3.604,336 6.829,337 4.198,338 3.232,339 4.621,340 2.014,341 11.318,342 3.128,343 4.493,344 3.282,345 6.506,346 4,347 3.032,348 4.43,349 0.878,350 10.196,351 2.936,352 3.726,353 3.142,354 5.834,355 3.404,356 2.43,357 3.032,359 7.725,360 2.367,361 3.645,362 2.541,363 5.23,364 3.344,365 2.364,366 2.943,368 6.404,369 2.296,370 3.483,371 2.38,372 5.092,373 3.041,374 2.076,375 2.827,377 5.921,378 1.995,379 3.413,380 2.147,381 4.988,382 2.973,383 1.983,384 2.73,386 5.711,387 1.958,388 3.118,389 1.618,390 4.165,391 2.586,392 1.618,393 2.427,395 3.8,396 1.565,397 2.85,398 1.61,399 4.136,400 2.406,401 1.42,402 1.94,404 3.427,405 1.399,406 2.778,407 1.514,408 3.622,409 2.281,410 1.306,411 1.903,413 2.919,414 1.271,415 2.769,416 1.425,417 3.597,418 2.257,419 1.268,420 1.824,422 2.839,423 1.252,424 2.481,425 1.262,426 3.52,427 2.04,428 1.084,429 1.437,431 2.535,432 1.032,433 2.4,434 1.117,435 3.383,436 1.901,437 0.949,438 1.336,440 2.202,441 0.896,442 2.018,443 0.887,444 3.213,445 1.645,446 0.674,447 0.869,449 1.62,450 0.653,451 1.773,452 0.723,453 2.922,454 1.375,455 0.44,456 0.566,458 1,459 0.405,460 1.164,461 0.442,462 2.516,463 0.78,464 -0.198,465 -0.251,467 -0.479,468 -0.191,469 13.767,470 0.475,471 0.627,472 0.022,473 40,474 1.379,475 21.5,476 0.741,477 18.5,478 0.638,479 21.662,480 0.747,481 30.033,482 0.589,483 29.502,484 1.017,485 8.094,486 0.279,487 6.037,488 0.208,489 0.097,491 0.32,496 0.733,497 1.197,498 0.755,499 1.042,500 0.619,501 0.924,502 0.999,503 1.146,504 0.859,505 0.969,506 0.693,507 0.903,508 1.023,509 0.963,510 0.995,511 0.902,512 0.961,513 0.932,514 0.892,515 1.022,516 0.986,517 1.04,518 0.641,519 1.026,520 1.029,521 1.191,522 1.13,523 1.216,524 0.983,525 1.196,526 1.022,527 1.2,528 1.04,529 1.149,530 1.179,531 1.106,532 1.312,533 0.921,534 0.888,535 0.812,536 1.61,537 0.778,538 1.919,539 0.832,540 1.111,541 0.778,542 2.217,543 0.809,544 4.5,545 0.118,546 3.333,547 2.201,548 1.348,549 0.691,550 0.502,551 0.325,552 0.22,553 0.117,554 12401,555 30550,556 2.111,557 43.1,559 12,560 1,561 2,562 1,564 6,567 1.714,568 2,569 3.543,570 -0.371,572 1,575 77.144,576 1.513,577 3.632,578 4.544,579 5.103,580 5.29,581 5.29,582 2.866,583 4.375,584 4.838,585 3.773,586 1531.66,587 8.387,588 22099.1,590 1,592 1,593 289.294,594 1.314,595 4.8,596 0.141,597 0.005,598 0.076,599 0.049,600 0.034,601 0.021,602 0.017,603 0.012,604 0.009,605 0.005,606 0.369,607 0.33,608 1,609 0.674,610 150.458,611 0.038,612 -0.07,613 0.062,614 -0.045,615 -0.04,616 -0.001,617 -0.013,618 -0.067,619 0.041,620 0.004,621 0.011,622 0.026,623 0.149,624 0.086,625 -0.033,626 0.052,627 0.09,628 -0.004,629 0.022,630 -0.021,631 -0.024,632 -0.062,633 0.032,634 -0.051,635 -0.064,636 -0.213,637 -0.162,638 -0.235,639 -0.058,640 -0.219,641 0.047,642 -0.23,643 -0.023,644 -0.192,645 0.057,646 -0.134,647 0.027,648 0.064,649 0.203,650 0.1,651 0.069,652 0.171,653 -0.207,654 0.186,655 -0.036,656 0.126,657 -0.168,658 0.089,659 1.998,660 5.144,661 0.655,662 26.561,663 1,664 1.121,665 2.788,666 7.772,667 0.682,668 3.497,669 3.807,670 4.094,671 4.369,672 4.575,673 4.575,674 4.605,675 4.625,676 4.585,677 4.466,678 7.59,679 0.652,680 386.49,681 3.497,682 5.03,683 5.883,684 6.76,685 7.634,686 8.518,687 9.399,688 10.285,689 11.17,690 12.058,691 7.8,698 1,699 1,700 1,701 1,708 4,709 11,710 1,714 2,715 1,716 21,735 1,738 51,739 23,740 2,741 32,743 54,744 23,745 17,746 5,747 7,748 1,752 4,753 6,755 1,759 2,766 1,768 19,769 4,772 2,778 1,780 1,781 1,782 1,786 1,789 22,790 5,791 1,792 6,797 4,803 0.5,804 2,816 1,818 1,822 1,823 3,826 1,827 1,855 2,859 2,862 29,869 1,871 1,872 1,874 1,886 3.9,889 1,891 1,893 14.5,894 9.767,895 6.417,896 3.049,898 4.774,899 1.623,900 0.995,901 5.589,902 12.433,903 3.818,904 4.451,905 5.108,906 5.756,907 6.301,908 6.584,909 6.933,910 7.251,911 7.387,912 7.285,913 0.875,914 45,915 10.681,917 4.481,918 7.69,919 20.411,921 16.513,924 2.19,925 63.5,927 1,928 1,929 247.193,930 157.239,931 53.236,933 36.145,936 157.239,937 283.338,938 53.236,939 17.65,940 22.481,941 94.334,942 79.225,943 54.328,944 13.915,945 211.88,947 247.193,948 210.475,949 36.145,952 176.567,953 106.771,956 69.885,957 114.757,958 25.833,960 247.193,961 89.381,962 157.239,965 247.193,966 27.16,967 131.978,968 17.888,969 69.593,970 247.193,971 89.381,972 157.239,973 0.575,974 0.339,975 0.192,976 0.107,977 21,978 9,979 0.111,980 6,981 2,982 1.211,983 4.182,984 247.411,985 0.211,986 19,987 136.881,993 19.161,994 8.459,995 4.152,996 3.928,997 87.482,998 21.33,999 4.318,1003 1.524,1004 2.19,1005 17.888,1006 493.813,1007 44.5,1013 12.144,1015 1.665,1016 4.105,1017 -0.332,1020 51.014,1021 57.149,1022 0.267,1023 0.64,1024 0.801,1025 0.9,1026 0.933,1027 0.933,1028 5.032,1029 1.42,1030 5.855,1031 3.8,1032 4.489,1033 5.139,1034 2.238,1035 6.668,1036 4.427,1037 6.248,1038 1.306,1039 7.412,1040 3.427,1041 4.007,1042 4.945,1043 1.593,1044 7.603,1045 3.929,1046 7.558,1047 1.268,1048 9.075,1049 2.919,1050 6.071,1051 7.429,1052 3.233,1053 10.733,1054 5.946,1055 8.911,1056 1.084,1057 10.805,1058 2.839,1059 6.463,1060 8.154,1061 3.158,1062 12.56,1063 6.311,1064 10.302,1065 0.949,1066 12.579,1067 2.535,1068 7.971,1069 10.072,1070 4.451,1071 15.2,1072 7.783,1073 11.722,1074 0.674,1075 14.384,1076 2.202,1077 8.777,1078 11.236,1079 4.687,1080 17.377,1081 8.555,1082 13.164,1083 0.44,1084 16.211,1085 1.62,1086 10.062,1087 12.918,1088 5.756,1089 19.859,1090 9.809,1091 3.232,1092 -0.198,1093 18.054,1094 1,1095 11.061,1096 14.283,1097 6.17,1098 22.172,1099 10.772,1100 3.032,1101 11.318,1102 19.909,1103 -0.479,1104 12.259,1105 15.867,1106 7.101,1107 24.602,1108 11.939,1109 2.43,1110 10.196,1111 21.774,1112 4.621,1113 13.344,1114 17.319,1115 7.621,1116 26.97,1117 12.99,1118 2.364,1119 7.725,1120 23.647,1121 4.43,1122 14.511,1123 18.862,1124 8.466,1125 29.383,1126 14.125,1127 2.076,1128 6.404,1129 25.526,1130 3.032,1131 15.635,1132 20.352,1133 9.053,1134 31.775,1135 15.215,1136 1.983,1137 5.921,1138 27.41,1139 2.943,1140 16.793,1141 21.879,1142 9.844,1143 34.184,1144 16.34,1145 1.618,1146 5.711,1147 29.299,1148 2.827,1149 17.935,1150 23.384,1151 10.473,1152 36.587,1153 17.448,1154 11619,1155 18434,1156 21.671,1157 34.784,1158 48.284,1159 49.295,1160 49.074,1161 47.693,1162 47.753,1163 65.77,1164 5.785,1165 135.237,1166 46.305,1167 5.538,1168 5.604,1169 6.518,1170 5.269,1171 5.232,1172 7.621,1173 3.615,1174 18.528,1175 5.128,1176 12.323,1177 1.509,1178 1.54,1179 1.534,1180 1.49,1181 1.492,1182 2.055,1183 0.181,1184 4.226,1185 1.447,1186 4.151,1187 4.185,1188 4.114,1189 4.062,1190 7.429,1191 4.071,1192 4.057,1193 4.081,1194 4.02,1195 3.983,1196 5.032,1197 3.988,1198 3.63,1199 3.677,1200 3.568,1201 3.461,1202 4.956,1203 3.453,1204 3.594,1205 3.66,1206 3.453,1207 3.388,1208 4.633,1209 3.414,1210 3.45,1211 3.498,1212 3.357,1213 3.328,1214 4.519,1215 3.33,1216 3.367,1217 3.414,1218 3.259,1219 3.23,1220 4.308,1221 3.234,1222 3.096,1223 3.169,1224 2.989,1225 2.871,1226 4.252,1227 2.892,1228 2.967,1229 3.018,1230 2.87,1231 2.81,1232 3.982,1233 2.814,1234 0.146,1235 0.113,1236 0.213,1237 0.131,1238 0.101,1239 4.663,1240 0.144,1241 3.604,1242 0.063,1243 6.829,1244 0.354,1245 4.198,1246 0.098,1247 3.232,1248 4.621,1249 2.014,1250 11.318,1251 3.128,1252 2.024,1253 2.002,1254 2.1,1255 2.116,1256 1.217,1257 2.112,1258 1.945,1259 1.92,1260 2.044,1261 2.041,1262 1.202,1263 2.043,1264 1.719,1265 1.661,1266 1.92,1267 1.897,1268 1.085,1269 1.902,1270 1.509,1271 1.466,1272 1.677,1273 1.775,1274 0.758,1275 1.746,1276 1.442,1277 1.392,1278 1.622,1279 1.597,1280 0.679,1281 1.608,1282 1.355,1283 1.313,1284 1.553,1285 1.534,1286 0.634,1287 1.547,1288 1.02,1289 0.952,1290 1.417,1291 1.293,1292 0.469,1293 1.308,1294 0.944,1295 0.899,1296 1.238,1297 1.239,1298 0.306,1299 1.283,1300 4.174,1302 5.485,1303 2.398,1304 6.995,1305 4.844,1306 8.6,1307 7.05,1308 10.258,1310 4.267,1315 -0.138,1317 2.528,1318 5.637,1320 0.333,1326 33.256,1327 77.144,1328 185.215,1329 231.745,1330 260.274,1331 269.784,1332 269.784,1333 42.931,1334 7.658,1335 68.51,1336 68.51,1337 23,1338 12.589,1339 4.585,1340 3.755,1341 45.074,1342 137,1343 102,1344 0.159,1345 204.789,1346 345.96,1347 491.445,1348 26262,1350 20.217,1351 0.697,1352 0.565,1353 20.217,1354 16.371,1355 14.131,1356 0.442,1357 0.297,1358 9.393,1359 13.629,1360 9.116,1361 7.622,1362 14.131,1363 9.513,1364 12.529,1365 0.285,1366 0.159,1367 12.529,1368 7.016,1369 10.487,1370 0.178,1371 0.079,1372 10.487,1373 4.675,1374 8.904,1375 0.114,1376 0.042,1377 8.904,1378 3.304,1379 7.335,1380 0.076,1381 0.023,1382 7.335,1383 2.247,1384 0.258,1385 88.217,1386 0.215,1387 28.068,1388 0.412,1389 152,1390 434.739,1391 165.334,1392 423.113,1393 587,1394 398,1395 179,1396 441.176,1397 193.334,1398 447.122,1399 651.16,1400 421,1401 4.124}
{0 CHEMBL2004141,1 1.617,2 8.833,3 3.187,4 10.16,5 74.514,6 9.084,7 0.8,8 3.467,9 3.575,10 3.279,11 3.14,12 4.667,13 3.094,14 3.883,15 4.015,16 3.637,17 3.464,18 5.051,19 3.397,20 4.01,21 4.208,22 3.492,23 3.418,24 5.097,25 3.312,26 3.843,27 4.058,28 3.199,29 3.172,30 4.875,31 3.049,32 3.595,33 3.818,34 2.945,35 2.872,36 4.659,37 2.794,38 3.499,39 3.717,40 3.001,41 2.861,42 4.589,43 2.786,44 3.412,45 3.601,46 2.957,47 2.924,48 4.45,49 2.812,50 3.364,51 3.537,52 2.809,53 2.897,54 4.378,55 2.777,56 0.042,57 0.449,58 4.104,59 2.228,60 4.922,61 2.486,62 0.088,63 0.702,64 7.854,65 3.47,66 9.042,67 3.812,68 0.162,69 0.782,70 13.071,71 4.762,72 16.35,73 5.206,74 0.109,75 0.646,76 11.41,77 4.227,78 12.298,79 4.657,80 0.112,81 0.523,82 9.277,83 2.908,84 11.744,85 2.824,86 0.125,87 0.473,88 7.06,89 2.362,90 11.321,91 2.585,92 0.065,93 0.409,94 7.092,95 2.72,96 7.687,97 2.93,98 0.046,99 0.377,100 7.196,101 2.816,102 5.905,103 3.092,105 26,106 0.306,107 0.57,108 0.745,109 0.877,110 0.91,111 0.91,112 2.959,113 0.944,114 -3.45,115 -3.43,116 -3.27,120 46.4,143 7,146 1,147 2,153 1,156 1,163 1,170 1,174 5,177 4,180 1,182 1,185 4,188 2,189 5,197 3,201 2,204 1,206 3,209 1,214 3,219 3,226 1,227 4,232 1,235 1,240 1,247 1,252 3,260 3,264 2,271 4,274 346,275 12.637,276 12.637,277 12.637,278 12.637,279 12.637,280 10.567,281 5.093,282 7.852,283 13.015,284 9.938,285 9.938,286 9.938,287 9.938,288 9.938,289 6.934,290 2.5,291 3.793,292 10.601,293 3.19,294 1.792,295 0.872,296 0.17,299 3.647,306 1,307 1,308 351,309 2.236,312 36.067,313 106.493,316 70.682,320 1.315,321 8.288,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 38,333 159,334 4.458,335 3.013,336 6.243,337 3.893,338 2.982,339 4.401,341 9.472,342 2.722,343 3.944,344 2.616,345 5.343,346 3.486,347 2.523,348 3.509,350 6.972,351 2.428,352 3.509,353 2.266,354 5.127,355 3.057,356 2.149,357 2.861,359 6.23,360 1.931,361 3.066,362 1.733,363 4.414,364 2.53,365 1.553,366 2.298,368 4.312,369 1.515,370 3.032,371 1.532,372 3.684,373 2.462,374 1.532,375 2.261,377 3.24,378 1.413,379 2.857,380 1.405,381 3.602,382 2.373,383 1.391,384 2.018,386 2.975,387 1.355,388 2.557,389 1.213,390 3.299,391 1.961,392 1,393 1.5,395 2.219,396 0.958,397 2.5,398 1,399 3.247,400 1.937,401 1,402 1.455,404 2.136,405 0.93,406 1.847,407 0.347,408 3,409 1.241,410 0.347,411 0.521,413 0.86,414 0.304,415 1.254,416 0.126,417 2.623,418 0.9,419 -0.043,420 -0.054,422 -0.105,423 -0.04,424 0.766,425 -0.581,426 2,427 0.27,428 -0.675,429 -0.912,431 -1.571,432 -0.633,433 0.613,434 -0.832,435 1.892,436 0.077,437 -0.888,438 -1.328,440 -2.035,441 -0.839,442 0.5,443 -1,444 1.586,445 -0.025,446 -1,447 -1.5,449 -2.347,450 -0.916,451 0.5,452 -1,453 1.555,454 -0.064,455 -1,456 -1.5,458 -2.625,459 -0.973,460 0.032,461 -1.222,462 1.408,463 -0.364,464 -1.307,465 -1.69,467 -3.46,468 -1.233,469 8.933,470 0.496,471 0.256,472 0.014,473 27.5,474 1.528,475 16,476 0.889,477 11.5,478 0.639,479 9.622,480 0.535,481 17.467,482 0.624,483 15.057,484 0.837,485 5.495,486 0.305,487 3.42,488 0.19,491 0.224,496 0.774,497 0.982,498 0.676,499 0.768,500 0.788,501 0.751,502 0.894,503 1.203,504 0.857,505 1.037,506 0.99,507 0.959,508 1.04,509 1.022,510 1.13,511 1.084,512 1.013,513 1.001,514 1.116,515 1.216,516 1.189,517 1.19,518 1.003,519 1.128,520 1.9,521 1.222,522 1.306,523 1.051,524 1.456,525 0.958,526 1.454,527 0.865,528 0.87,529 0.734,530 1.188,531 0.781,532 1.14,533 0.847,534 1.109,535 0.907,536 1.099,537 0.831,538 0.834,539 0.952,540 1.309,541 1.207,542 0.814,543 1.057,544 2.5,545 0.015,546 1.111,547 0.854,548 0.373,549 0.25,550 0.09,551 0.126,552 0.097,553 0.023,554 3381,555 9457,556 2.189,557 35.7,559 7,561 2,562 1,567 1.577,568 2.16,569 3.162,570 -0.225,572 1,574 1,575 45.281,576 1.617,577 3.015,578 3.936,579 4.638,580 4.807,581 4.807,582 2.53,583 2.795,584 4.146,585 3.278,586 501.557,587 6.986,588 4918.09,589 1,590 1,592 1,593 134.606,594 0.764,595 4.146,596 0.125,597 0.003,598 0.043,599 0.039,600 0.023,601 0.019,602 0.007,603 0.01,604 0.008,605 0.002,606 0.279,607 0.67,608 1,610 78.171,611 0.08,612 0.034,613 0.059,614 0.058,615 -0.037,616 0.03,617 0.068,618 -0.174,619 0.04,620 -0.123,621 -0.102,622 -0.133,623 0.056,624 -0.005,625 -0.052,626 -0.063,627 0.038,628 -0.05,629 -0.011,630 -0.225,631 -0.098,632 -0.163,633 0.057,634 -0.146,635 -0.444,636 -0.12,637 -0.22,638 -0.073,639 -0.254,640 -0.048,641 -0.118,642 0.203,643 0.085,644 0.177,645 -0.029,646 0.126,647 -0.199,648 0.144,649 0.002,650 0.163,651 -0.13,652 0.149,653 -0.116,654 -0.021,655 -0.208,656 -0.118,657 0.008,658 -0.055,659 0.886,660 1.417,661 0.833,662 12.778,663 1.005,664 1.113,665 2.217,666 4.915,667 0.748,668 3.045,669 3.296,670 3.526,671 3.761,672 3.892,673 3.784,674 3.829,675 3.912,676 3.807,677 3.85,678 5.38,679 0.709,680 254.34,681 3.045,682 4.533,683 5.352,684 6.192,685 7.027,686 7.875,687 8.717,688 9.569,689 10.416,690 11.27,691 14.3,696 1,700 1,701 2,708 2,709 8,710 2,713 1,714 2,716 16,738 28,739 17,740 1,741 20,743 30,744 13,745 12,746 2,747 4,748 1,752 3,753 4,755 1,768 13,772 1,780 1,781 1,786 1,789 10,790 4,791 1,792 5,793 1,797 4,803 0.667,816 1,822 1,823 2,826 1,855 2,857 1,862 18,871 1,879 1,893 8.333,894 5.017,895 4.028,896 1.542,898 3.605,899 1.562,900 1.029,901 3.177,902 10.021,903 3.401,904 4.003,905 4.611,906 5.223,907 5.69,908 5.842,909 6.224,910 6.594,911 6.59,912 7.003,913 0.833,914 22,915 6.569,917 2.704,918 7.611,919 12.565,921 9.948,924 2.111,925 38,926 0.001,929 105.94,930 121.854,931 68.122,935 31.278,936 90.576,937 105.94,938 68.122,941 66.334,942 84.049,943 31.112,944 0.746,945 113.675,947 105.94,948 158.698,950 31.278,952 105.94,956 31.112,957 67.08,958 60.507,959 31.278,960 105.94,961 68.122,962 121.854,965 105.94,966 37.425,967 84.429,968 17.888,969 50.234,970 105.94,971 68.122,972 121.854,973 0.56,974 0.318,975 0.177,976 0.092,977 13,978 4,979 0.1,980 3,981 1,982 1.133,983 3.301,984 122.386,985 0.133,986 15,987 75.059,989 1,993 11.148,994 5.129,995 2.667,996 2.131,997 68.122,998 15.428,999 8.564,1002 1.576,1003 1.592,1005 17.888,1006 295.916,1007 29,1015 1.673,1016 4.118,1020 28.134,1021 31.159,1022 0.336,1023 0.627,1024 0.819,1025 0.965,1026 1,1027 1,1028 4.564,1029 1,1030 5.273,1031 2.219,1032 3.97,1033 4.687,1035 5.984,1036 3.841,1037 5.753,1038 0.347,1039 6.753,1040 2.136,1041 3.219,1042 4.227,1044 6.629,1045 2.965,1046 7.026,1047 -0.043,1048 8.334,1049 0.86,1050 5.451,1051 6.91,1053 9.731,1054 5.179,1055 8.342,1056 -0.675,1057 9.978,1058 -0.105,1059 5.602,1060 7.406,1062 11.302,1063 5.171,1064 9.693,1065 -0.888,1066 11.665,1067 -1.571,1068 7.216,1069 9.44,1071 13.847,1072 6.787,1073 11.071,1074 -1,1075 13.382,1076 -2.035,1077 7.827,1078 10.427,1080 15.807,1081 7.234,1082 12.47,1083 -1,1084 15.121,1085 -2.347,1086 9.15,1087 12.158,1089 18.157,1090 8.548,1091 2.982,1092 -1.307,1093 16.878,1094 -2.625,1095 9.998,1096 13.397,1098 20.283,1099 9.241,1100 2.523,1101 9.472,1102 18.647,1103 -3.46,1104 11.186,1105 14.987,1107 22.565,1108 10.398,1109 2.149,1110 6.972,1111 20.427,1112 4.401,1113 12.154,1114 16.351,1116 24.762,1117 11.226,1118 1.553,1119 6.23,1120 22.215,1121 3.509,1122 13.281,1123 17.878,1125 27.02,1126 12.3,1127 1.532,1128 4.312,1129 24.01,1130 2.861,1131 14.308,1132 19.302,1134 29.246,1135 13.201,1136 1.391,1137 3.24,1138 25.81,1139 2.298,1140 15.41,1141 20.802,1143 31.496,1144 14.234,1145 1,1146 2.975,1147 27.616,1148 2.261,1149 16.467,1150 22.255,1152 33.735,1153 15.176,1154 3193,1155 5465,1156 14.099,1157 20.955,1158 29.439,1159 29.203,1160 29.165,1161 28.96,1162 28.954,1163 41.648,1165 76.833,1166 27.114,1167 5.172,1168 5.013,1169 6.045,1170 5.003,1171 4.982,1172 7.401,1174 15.66,1175 4.722,1177 1.472,1178 1.46,1179 1.458,1180 1.448,1181 1.448,1182 2.082,1184 3.842,1185 1.356,1186 4.048,1187 4.067,1188 4.316,1189 4.037,1190 5.028,1191 3.991,1192 3.87,1193 3.913,1194 3.815,1195 3.762,1196 4.913,1197 3.768,1198 3.438,1199 3.508,1200 3.483,1201 3.315,1202 4.586,1203 3.279,1204 3.18,1205 3.23,1206 3.196,1207 3.052,1208 4.23,1209 3.047,1210 2.884,1211 2.94,1212 2.858,1213 2.791,1214 3.83,1215 2.769,1216 2.791,1217 2.871,1218 2.643,1219 2.62,1220 3.72,1221 2.617,1222 2.677,1223 2.767,1224 2.573,1225 2.437,1226 3.598,1227 2.461,1228 2.313,1229 2.408,1230 2.264,1231 2.129,1232 3.201,1233 2.12,1234 0.223,1235 0.151,1236 0.312,1237 0.195,1238 0.149,1239 4.458,1240 0.22,1241 3.013,1243 6.243,1244 0.474,1245 3.893,1246 0.136,1247 2.982,1248 4.401,1250 9.472,1251 2.722,1252 1.898,1253 1.88,1254 1.98,1255 1.975,1256 1.1,1257 1.979,1258 1.836,1259 1.797,1260 1.951,1261 1.962,1262 0.954,1263 1.968,1264 1.384,1265 1.343,1266 1.45,1267 1.626,1268 0.475,1269 1.603,1270 1.117,1271 1.076,1272 1.228,1273 1.264,1274 0.331,1275 1.278,1276 0.917,1277 0.884,1278 1.093,1279 1.016,1280 0.183,1281 1.051,1282 0.803,1283 0.73,1284 1.036,1285 1.003,1286 0.107,1287 1.046,1288 0.735,1289 0.661,1290 0.962,1291 0.963,1292 0.023,1293 0.988,1294 0.402,1295 0.314,1296 0.676,1297 0.666,1299 0.692,1300 3.714,1302 4.977,1303 2.398,1304 6.435,1305 4.727,1306 7.977,1307 6.823,1308 9.561,1317 2.919,1326 19.853,1327 45.281,1328 84.425,1329 110.2,1330 129.851,1331 134.606,1332 134.606,1333 15.976,1334 6.415,1335 50.17,1336 78.41,1337 17,1338 11.826,1339 4.17,1340 3.322,1341 26.034,1342 59,1343 48,1344 0.217,1345 128.18,1346 205.07,1347 304.518,1348 4930,1350 12.209,1351 0.678,1352 0.57,1353 12.562,1354 10.263,1355 8.916,1356 0.446,1357 0.315,1358 5.483,1359 8.206,1360 5.306,1361 4.43,1362 9.324,1363 6.29,1364 7.577,1365 0.291,1366 0.179,1367 8.246,1368 4.642,1369 6.288,1370 0.191,1371 0.099,1372 7.06,1373 3.28,1374 5.264,1375 0.125,1376 0.056,1377 6.099,1378 2.342,1379 4.079,1380 0.085,1381 0.031,1382 4.769,1383 1.468,1384 0.347,1385 59.394,1386 0.266,1387 18.579,1388 0.574,1389 92,1390 268.129,1391 125.674,1392 288.599,1393 402.82,1394 272,1395 105,1396 289.124,1397 134.569,1398 309.923,1399 448.07,1400 292,1401 6.796}
{0 CHEMBL2004475,1 1.432,2 11.282,3 3.694,4 13.643,5 151.069,6 7.049,7 0.227,8 4.408,9 4.52,10 3.927,11 3.979,12 5.448,13 3.944,14 4.992,15 5.152,16 4.352,17 4.443,18 5.972,19 4.386,20 5.378,21 5.557,22 4.578,23 4.704,24 6.439,25 4.632,26 5.61,27 5.815,28 4.671,29 4.829,30 6.693,31 4.743,32 5.699,33 5.92,34 4.676,35 4.864,36 6.797,37 4.762,38 5.738,39 5.974,40 4.674,41 4.889,42 6.77,43 4.784,44 5.685,45 5.905,46 4.682,47 4.834,48 6.812,49 4.744,50 5.63,51 5.852,52 4.581,53 4.744,54 6.761,55 4.649,56 0.045,57 1.029,58 16.417,59 7.673,60 16.958,61 9.91,62 0.168,63 1.764,64 31.056,65 13.616,66 43.236,67 18.078,68 0.414,69 2.456,70 47.684,71 19.296,72 98.968,73 25.576,74 0.723,75 2.986,76 62.422,77 23.376,78 155.782,79 31.424,80 1.052,81 3.207,82 69.493,83 25.351,84 196.765,85 34.458,86 0.906,87 3.295,88 72.985,89 26.418,90 175.316,91 36.05,92 0.897,93 3.107,94 68.846,95 24.862,96 195.738,97 33.43,98 1.091,99 2.921,100 65.876,101 22.934,102 189.699,103 30.988,104 65,105 69,106 0.22,107 0.606,108 0.822,109 0.902,110 0.91,111 0.91,112 3.694,113 0.949,114 -3.38,115 -3.36,116 -3.22,120 42.7,121 4,122 2,123 4,124 1,128 3,131 1,136 5,137 1,143 4,144 2,152 1,153 1,157 2,159 1,174 19,177 7,180 1,182 7,185 21,189 11,192 1,194 9,197 26,200 1,201 9,204 1,206 7,209 27,213 3,214 12,217 1,218 1,219 7,222 25,227 14,230 1,232 7,235 27,239 1,240 12,243 2,245 7,247 23,251 1,252 11,255 3,256 1,257 7,260 20,264 9,267 1,269 5,271 20,274 2906,275 25.82,276 25.82,277 25.82,278 25.82,279 25.82,280 23.728,281 27.031,282 14.342,283 25.968,284 21.571,285 21.571,286 21.571,287 21.571,288 21.571,289 18.222,290 30.966,291 6.662,292 21.826,293 4.796,294 2.287,295 0.881,296 0.36,297 0.307,298 0.307,299 4.394,307 1,308 969,309 5.701,310 32.692,312 112.398,313 140.49,314 71.003,316 212.039,317 103.991,320 1.893,321 58.888,324 0.75,325 0.5,326 0.67,327 0.9,328 1,329 0.67,330 0.5,331 0.71,332 84,333 440,334 5.027,335 4.436,336 8.568,337 4.975,338 3.99,339 4.474,340 2.039,341 17.686,342 3.942,343 4.559,344 3.967,345 7.907,346 4.476,347 3.512,348 4.125,349 1.896,350 14.742,351 3.363,352 4.523,353 3.783,354 6.566,355 4.059,356 3.072,357 3.618,358 1.244,359 10.348,360 3.032,361 4.158,362 3.342,363 6.47,364 3.901,365 2.906,366 3.424,367 0.86,368 9.526,369 2.887,370 3.718,371 3.157,372 6.267,373 3.609,374 2.624,375 2.908,376 0.665,377 9.073,378 2.58,379 3.656,380 2.914,381 5.707,382 3.388,383 2.379,384 2.83,385 0.146,386 6.883,387 2.398,388 3.395,389 2.756,390 5.387,391 3.114,392 2.115,393 2.647,395 6.373,396 2.111,397 3.345,398 2.69,399 5.235,400 3,401 1.987,402 2.445,404 5.923,405 2.005,406 3.211,407 2.465,408 5.164,409 2.862,410 1.849,411 2.319,413 5.665,414 1.865,415 3.063,416 2.235,417 4.977,418 2.814,419 1.805,420 2.279,422 4.983,423 1.813,424 3.046,425 1.869,426 4.683,427 2.571,428 1.567,429 2.072,431 4.539,432 1.562,433 2.789,434 1.696,435 4.469,436 2.517,437 1.544,438 1.82,440 3.711,441 1.499,442 2.601,443 1.546,444 4.17,445 2.172,446 1.168,447 1.613,449 2.889,450 1.168,451 2.574,452 1.405,453 3.944,454 2.133,455 1.145,456 1.466,458 2.75,459 1.13,460 2.328,461 1.202,462 3.585,463 1.834,464 0.859,465 1.059,467 2.213,468 0.831,469 18.467,470 0.474,471 1.346,472 0.035,473 40.5,474 1.038,475 16,476 0.41,477 24.5,478 0.628,479 52.569,480 1.348,481 42.733,482 0.57,483 37.756,484 0.968,485 7.243,486 0.186,487 11.341,488 0.291,489 0.181,490 0.054,491 0.379,496 0.719,497 1.128,498 0.831,499 1.041,500 0.642,501 0.963,502 0.664,503 1.104,504 0.827,505 1.047,506 0.585,507 0.975,508 0.941,509 1.148,510 0.981,511 1.12,512 0.819,513 1.066,514 1.092,515 1.09,516 1.025,517 1.058,518 1.047,519 1.036,520 1.022,521 1.024,522 1.033,523 1.034,524 1.121,525 1.034,526 1.112,527 0.927,528 0.978,529 0.92,530 1.107,531 0.926,532 1.186,533 1.025,534 1.002,535 1.013,536 1.343,537 0.987,538 1.234,539 1.022,540 1.069,541 1.011,542 1.254,543 1.015,544 10,545 0.164,546 7.278,547 5.528,548 3.869,549 2.477,550 1.634,551 1.61,552 1.011,553 0.473,554 20750,555 48959,556 2.079,557 48,558 12,559 12,560 1,562 3,564 8,567 1.803,568 1.887,569 3.389,570 0.697,575 107.434,576 1.432,577 3.942,578 5.348,579 5.869,580 5.922,581 5.922,582 2.871,583 4.856,584 5.257,585 3.578,586 2651.55,587 9.327,588 40832.9,593 467.161,594 1.749,595 5.18,596 0.227,597 0.005,598 0.11,599 0.07,600 0.046,601 0.03,602 0.019,603 0.019,604 0.014,605 0.01,606 0.552,607 0.33,608 0.63,609 0.604,610 210.371,611 -0.047,612 0.051,613 0.041,614 0.07,615 -0.066,616 0.071,617 0.032,618 0.004,619 0.075,620 0.027,621 0.019,622 0.052,623 -0.007,624 -0.094,625 -0.033,626 -0.083,627 0.036,628 -0.065,629 -0.031,630 -0.072,631 -0.042,632 -0.059,633 0.006,634 -0.054,635 0.056,636 -0.025,637 -0.039,638 -0.05,639 0.014,640 -0.058,641 -0.059,642 0.05,643 0.021,644 0.06,645 -0.038,646 0.055,647 -0.013,648 -0.044,649 0.006,650 -0.032,651 -0.028,652 -0.014,653 0.019,654 -0.038,655 -0.048,656 -0.046,658 -0.057,659 2.658,660 7.245,661 0.487,662 37.861,663 0.998,664 1.121,665 2.15,666 4.622,667 0.656,668 3.807,669 4.248,670 4.625,671 4.963,672 5.242,673 5.485,674 5.684,675 5.875,676 6.043,677 6.198,678 6.672,679 0.621,680 528.7,681 3.807,682 5.425,683 6.351,684 7.307,685 8.262,686 9.232,687 10.202,688 11.183,689 12.165,690 13.154,691 2.7,698 1,699 1,708 2,709 5,711 1,714 1,716 10,738 75,739 16,740 1,741 44,743 80,744 32,745 8,746 2,747 4,748 4,752 6,753 9,759 4,760 1,762 1,763 2,764 4,766 5,768 17,769 15,770 5,772 6,778 3,780 5,782 4,789 36,790 6,791 3,792 7,797 2,803 0.5,804 5,806 1,809 1,818 1,820 1,822 2,823 2,824 1,826 2,827 1,836 2,838 1,845 5,846 1,853 1,854 1,855 3,859 4,862 39,868 1,869 2,871 1,872 1,874 7,876 2,886 6.7,887 1,889 3,890 1,893 20.667,894 14.283,895 8.236,896 4.733,898 3.191,899 1.343,900 0.938,901 6.278,902 12.504,903 4.025,904 4.608,905 5.166,906 5.682,907 6.096,908 6.402,909 6.763,910 7.111,911 7.275,912 7.617,913 0.875,914 79,915 14.821,917 6.995,918 7.808,919 28.147,921 25.463,924 2.308,925 90,929 388.446,930 160.763,931 34.796,933 129.118,936 160.763,937 517.564,938 34.796,939 35.301,940 23.08,941 137.017,942 101.406,943 25.73,944 13.915,945 376.675,947 388.446,948 195.56,949 129.118,952 294.278,953 169.604,954 53.683,956 75.166,957 73.012,958 47.381,960 388.446,961 163.914,962 160.763,965 388.446,966 31.129,967 129.634,968 34.796,969 129.118,970 388.446,971 163.914,972 160.763,973 0.609,974 0.377,975 0.203,976 0.106,977 38,978 18,979 0.138,980 11,981 13,982 1.842,983 4.414,984 447.385,985 1.368,986 9,987 206.131,993 26.284,994 9.316,995 3.983,996 2.12,997 147.129,998 10.039,1000 3.321,1003 1.081,1005 77.48,1006 713.124,1007 55,1013 41.2,1015 8.286,1017 -0.725,1020 74.861,1021 84.102,1022 0.23,1023 0.633,1024 0.859,1025 0.942,1026 0.951,1027 0.951,1028 5.364,1029 1.987,1030 6.425,1031 6.373,1032 4.934,1033 5.296,1034 3.004,1035 7.439,1036 4.91,1037 6.612,1038 1.849,1039 8.125,1040 5.923,1041 4.934,1042 5.293,1043 1.988,1044 9.043,1045 4.887,1046 7.982,1047 1.805,1048 9.951,1049 5.665,1050 6.792,1051 7.458,1052 3.941,1053 12.255,1054 6.732,1055 9.39,1056 1.567,1057 11.858,1058 4.983,1059 7.626,1060 8.264,1061 3.653,1062 14.73,1063 7.537,1064 10.838,1065 1.544,1066 13.822,1067 4.539,1068 9.072,1069 9.974,1070 5.096,1071 17.634,1072 8.968,1073 12.314,1074 1.168,1075 15.826,1076 3.711,1077 10.229,1078 11.14,1079 5.183,1080 20.372,1081 10.102,1082 13.812,1083 1.145,1084 17.862,1085 2.889,1086 11.578,1087 12.692,1088 6.35,1089 23.223,1090 11.436,1091 3.99,1092 0.859,1093 19.92,1094 2.75,1095 12.855,1096 14.021,1097 6.652,1098 26.04,1099 12.696,1100 3.512,1101 17.686,1102 21.995,1103 2.213,1104 14.193,1105 15.518,1106 7.655,1107 28.887,1108 14.02,1109 3.072,1110 14.742,1111 24.083,1112 4.474,1113 15.517,1114 16.923,1115 8.091,1116 31.73,1117 15.331,1118 2.906,1119 10.348,1120 26.182,1121 4.125,1122 16.862,1123 18.402,1124 8.99,1125 34.583,1126 16.665,1127 2.624,1128 9.526,1129 28.288,1130 3.618,1131 18.208,1132 19.843,1133 9.512,1134 37.437,1135 18,1136 2.379,1137 9.073,1138 30.401,1139 3.424,1140 19.563,1141 21.318,1142 10.345,1143 40.295,1144 19.344,1145 2.115,1146 6.883,1147 32.519,1148 2.908,1149 20.92,1150 22.778,1151 10.924,1152 43.155,1153 20.692,1154 19385,1155 29871,1156 28.55,1157 49.228,1158 70.502,1159 72.248,1160 74.039,1161 68.498,1162 68.46,1163 82.427,1164 13.7,1165 223.253,1166 67.67,1167 6.027,1168 6.436,1169 8.25,1170 6.048,1171 5.99,1172 7.474,1173 3.717,1174 27.029,1175 5.942,1176 23.029,1177 1.602,1178 1.642,1179 1.683,1180 1.557,1181 1.556,1182 1.873,1183 0.311,1184 5.074,1185 1.538,1186 4.17,1187 4.199,1188 4.118,1189 4.079,1190 7.444,1191 4.084,1192 4.072,1193 4.098,1194 4.024,1195 3.978,1196 7.427,1197 3.985,1198 3.853,1199 3.885,1200 3.772,1201 3.753,1202 7.412,1203 3.75,1204 3.725,1205 3.751,1206 3.653,1207 3.587,1208 6.444,1209 3.595,1210 3.631,1211 3.666,1212 3.537,1213 3.479,1214 4.972,1215 3.488,1216 3.54,1217 3.583,1218 3.435,1219 3.438,1220 4.798,1221 3.43,1222 3.4,1223 3.455,1224 3.296,1225 3.268,1226 4.441,1227 3.27,1228 3.295,1229 3.367,1230 3.13,1231 3.142,1232 4.323,1233 3.125,1234 0.114,1235 0.101,1236 0.195,1237 0.113,1238 0.091,1239 5.027,1240 0.102,1241 4.436,1242 0.046,1243 8.568,1244 0.402,1245 4.975,1246 0.09,1247 3.99,1248 4.474,1249 2.039,1250 17.686,1251 3.942,1252 1.951,1253 1.928,1254 2.069,1255 2.03,1256 1.514,1257 2.043,1258 1.91,1259 1.886,1260 2.032,1261 2.003,1262 1.281,1263 2.013,1264 1.841,1265 1.809,1266 2.003,1267 1.967,1268 1.213,1269 1.979,1270 1.689,1271 1.647,1272 1.854,1273 1.859,1274 1.062,1275 1.857,1276 1.588,1277 1.541,1278 1.783,1279 1.759,1280 0.993,1281 1.77,1282 1.487,1283 1.448,1284 1.689,1285 1.656,1286 0.904,1287 1.659,1288 1.442,1289 1.399,1290 1.674,1291 1.627,1292 0.784,1293 1.643,1294 1.295,1295 1.223,1296 1.578,1297 1.541,1298 0.689,1299 1.545,1300 4.489,1301 1.946,1302 5.9,1303 4.394,1304 7.515,1305 6.629,1306 9.238,1307 8.764,1308 11.033,1310 7.904,1314 10.571,1315 1.217,1317 3.227,1318 6.327,1320 -2.715,1322 -1.852,1326 46.572,1327 107.434,1328 295.636,1329 401.122,1330 440.142,1331 444.142,1332 444.142,1333 111.959,1334 9.313,1335 111.79,1336 111.79,1337 35,1338 13.621,1339 4.087,1340 3.585,1341 54.61,1342 150,1343 180,1344 0.173,1345 277.661,1346 505.75,1347 669.252,1348 170583,1350 27.69,1351 0.71,1352 0.585,1353 27.69,1354 22.809,1355 18.584,1356 0.422,1357 0.316,1358 13.793,1359 18.089,1360 13.348,1361 10.979,1362 18.584,1363 13.918,1364 17.98,1365 0.261,1366 0.176,1367 17.98,1368 12.129,1369 16.221,1370 0.161,1371 0.096,1372 16.221,1373 9.738,1374 13.718,1375 0.097,1376 0.053,1377 13.718,1378 7.529,1379 10.987,1380 0.058,1381 0.029,1382 10.987,1383 5.48,1384 0.262,1385 115.438,1386 0.187,1387 33.857,1388 0.514,1389 226,1390 569.758,1391 243.172,1392 546.801,1393 746.66,1394 510,1395 286,1396 546.489,1397 305.501,1398 552.864,1399 831.94,1400 523,1401 5.205}
{0 CHEMBL2005991,1 1.77,2 10.364,3 4.598,4 21.141,5 128.343,6 9.834,7 0.5,8 4.081,9 4.174,10 3.873,11 3.641,12 5.354,13 3.643,14 4.564,15 4.685,16 4.307,17 4.035,18 5.885,19 4.032,20 4.839,21 4.981,22 4.548,23 4.216,24 6.158,25 4.208,26 4.99,27 5.163,28 4.52,29 4.239,30 6.274,31 4.213,32 4.998,33 5.187,34 4.384,35 4.227,36 6.227,37 4.181,38 4.945,39 5.13,40 4.307,41 4.216,42 6.215,43 4.159,44 4.948,45 5.139,46 4.321,47 4.202,48 6.22,49 4.147,50 4.837,51 5.001,52 4.569,53 4.163,54 6.264,55 4.114,56 0.243,57 0.75,58 5.903,59 4.418,60 9.486,61 4.745,62 0.463,63 1.179,64 13.287,65 7.425,66 55.054,67 8.11,68 0.644,69 1.557,70 24.017,71 9.467,72 40.166,73 10.071,74 0.827,75 1.719,76 31.835,77 11.204,78 76.097,79 11.983,80 0.954,81 1.701,82 37.672,83 11.655,84 105.611,85 12.799,86 0.886,87 1.629,88 37.431,89 11.377,90 67.945,91 13.342,92 0.897,93 1.558,94 28.821,95 11.641,96 112.02,97 13.488,98 0.831,99 1.368,100 29.176,101 11.041,102 103.152,103 12.577,104 54,105 53,106 0.291,107 0.637,108 0.774,109 0.879,110 0.9,111 0.9,112 3.533,113 0.884,114 -4.73,115 -4.65,116 -4.37,118 1,120 44.2,121 1,125 1,132 1,143 10,144 3,145 5,156 1,159 1,167 3,174 10,176 2,177 8,180 1,182 4,185 11,188 1,189 17,192 2,194 7,197 7,201 19,204 1,206 3,209 6,213 2,214 13,217 1,219 2,222 12,226 4,227 8,230 3,232 2,235 17,239 3,240 3,243 1,247 15,251 3,252 11,255 1,257 1,260 14,264 12,267 1,268 1,269 3,271 8,274 2033,275 21.833,276 21.833,277 21.833,278 21.833,279 21.833,280 19.065,281 25.777,282 12.43,283 22.35,284 17.619,285 17.619,286 17.619,287 17.619,288 17.619,289 13.397,290 34.604,291 5.72,292 18.445,293 3.93,294 1.823,295 0.99,296 0.351,297 0.221,298 0.221,299 4.221,307 1,308 727,309 3.742,313 368.656,317 151.965,320 1.466,321 47.326,324 0.75,325 0.67,326 0.83,327 0.3,329 0.83,330 1,331 0.63,332 72.75,333 342,334 4.749,335 4.055,336 7.885,337 4.594,338 3.637,339 4.143,340 2.612,341 14.728,342 3.48,343 4.386,344 3.777,345 6.505,346 3.939,347 3.008,348 4.081,349 1.174,350 9.969,351 2.882,352 4.289,353 3.432,354 6.373,355 3.891,356 2.895,357 3.951,358 0.878,359 9.59,360 2.785,361 4.113,362 3.341,363 5.967,364 3.663,365 2.692,366 3.562,367 0.86,368 8.307,369 2.609,370 3.687,371 2.678,372 5.759,373 3.294,374 2.325,375 3.03,376 0.129,377 7.348,378 2.242,379 3.516,380 2.563,381 5.26,382 3.143,383 2.163,384 2.818,386 6.581,387 2.107,388 3.322,389 2.46,390 5.097,391 2.83,392 1.973,393 2.562,395 5.647,396 1.808,397 3.294,398 2.257,399 5.038,400 2.824,401 1.838,402 2.544,404 5.393,405 1.593,406 2.896,407 1.788,408 4.213,409 2.434,410 1.442,411 2.06,413 3.478,414 1.429,415 2.845,416 1.585,417 3.81,418 2.341,419 1.352,420 1.925,422 3.102,423 1.336,424 2.619,425 1.54,426 3.76,427 2.075,428 1.086,429 1.6,431 2.744,432 1.072,433 2.542,434 1.366,435 3.527,436 2,437 1,438 1.517,440 2.322,441 1,442 2.494,443 1.304,444 3.437,445 1.88,446 0.894,447 1.349,449 2.149,450 0.87,451 1.844,452 1.134,453 3.412,454 1.544,455 0.706,456 0.778,458 1.412,459 0.555,460 1.531,461 1,462 3.159,463 1.158,464 0.216,465 0.255,467 0.43,468 0.193,469 16.1,470 0.488,471 1.018,472 0.031,473 46.5,474 1.409,475 25.5,476 0.773,477 21,478 0.636,479 28.809,480 0.873,481 34.3,482 0.66,483 40.1,484 1.215,485 9.243,486 0.28,487 6.498,488 0.197,489 0.228,490 0.031,491 0.329,496 0.613,497 1.044,498 0.491,499 0.792,500 0.623,501 0.8,502 0.713,503 1.148,504 0.566,505 0.811,506 0.504,507 0.797,508 0.8,509 1.265,510 0.85,511 1.035,512 0.607,513 0.982,514 1.068,515 1.225,516 0.808,517 1.01,518 0.988,519 1.029,520 1.105,521 0.975,522 0.858,523 0.902,524 1.128,525 0.978,526 0.738,527 0.969,528 0.901,529 1.017,530 0.88,531 1.073,532 0.935,533 0.841,534 0.515,535 0.761,536 1.215,537 0.899,538 0.642,539 0.936,540 0.905,541 0.989,542 0.639,543 0.932,544 8,545 0.256,546 5.333,547 3.5,548 2.893,549 1.576,550 0.793,551 0.828,552 0.628,553 0.405,554 13354,555 48109,556 2.018,557 36.5,559 13,561 1,562 2,565 3,567 1.761,568 1.842,569 3.351,570 0.252,575 92.061,576 1.77,577 3.878,578 4.71,579 5.349,580 5.479,581 5.479,582 2.717,583 4.802,584 5.016,585 3.527,586 1862.3,587 8.831,588 26900.3,593 296.423,594 1.681,595 4.943,596 0.222,597 0.008,598 0.101,599 0.057,600 0.051,601 0.03,602 0.015,603 0.016,604 0.012,605 0.009,606 0.521,607 0.17,608 0.88,609 0.872,610 171.532,611 0.079,612 0.089,613 0.002,614 0.05,615 -0.066,616 0.027,617 0.062,618 -0.065,619 0.041,620 0.065,621 0.119,622 0.081,623 0.011,624 -0.153,625 -0.012,626 -0.132,627 0.062,628 -0.103,629 -0.141,630 -0.171,631 -0.017,632 -0.109,633 -0.083,634 -0.104,635 -0.162,636 0.049,637 -0.058,638 0.015,639 -0.149,640 -0.019,641 0.075,642 0.061,643 -0.089,644 -0.09,645 -0.016,646 -0.102,647 -0.02,648 0.129,649 0.041,650 0.128,651 -0.125,652 0.091,653 0.254,654 0.017,655 0.131,656 0.029,657 0.267,658 0.079,659 2.487,660 6.454,661 0.667,662 31.17,663 1.026,664 1.119,665 3.505,666 12.283,667 0.707,668 3.611,669 3.989,670 4.304,671 4.564,672 4.828,673 4.942,674 5.063,675 5.193,676 5.338,677 5.407,678 6.519,679 0.69,680 511.36,681 3.611,682 5.187,683 6.066,684 6.974,685 7.874,686 8.79,687 9.698,688 10.619,689 11.533,690 12.457,691 7.7,696 1,698 1,700 1,702 1,709 10,714 8,716 18,729 1,731 1,734 1,735 1,737 1,738 52,739 22,740 3,741 36,742 1,743 55,744 23,745 18,746 8,747 10,748 2,752 4,753 5,755 1,759 1,763 1,766 1,768 20,769 3,772 4,775 1,778 3,780 1,781 1,782 1,789 19,790 8,791 2,792 10,793 1,797 4,803 0.75,804 5,823 4,827 1,855 3,858 1,859 2,862 33,868 1,871 1,872 1,875 1,876 1,885 1,886 9.6,888 1,889 1,891 1,892 2,893 17.917,894 10.026,895 7.208,896 2.819,898 3.886,899 1.487,900 0.951,901 6.323,902 11.867,903 3.912,904 4.538,905 5.107,906 5.644,907 6.174,908 6.416,909 6.762,910 7.081,911 7.493,912 7.886,913 0.857,914 61,915 12.221,917 5.387,918 8.076,919 22.362,921 18.253,924 2.576,925 85,929 200.109,930 151.592,931 89.3,933 129.575,936 197.546,937 329.684,938 43.346,939 25.378,940 3.002,941 94.762,942 111.362,943 51.032,945 188.338,946 96.701,947 200.109,948 194.937,949 129.575,951 45.954,952 164.795,953 114.141,954 50.747,956 28.49,957 133.719,958 32.728,959 45.954,960 200.109,961 172.921,962 197.546,965 200.109,966 28.073,967 132.19,968 63.965,969 146.238,970 200.109,971 172.921,972 197.546,973 0.595,974 0.365,975 0.192,976 0.105,977 26,978 13,979 0.091,980 5,981 1,982 1.091,983 4.092,984 322.736,985 0.091,986 22,987 164.465,993 23.08,994 9.04,995 4.283,997 167.251,998 16.262,1003 2.544,1005 60.694,1006 570.575,1007 49,1010 -0.487,1013 36.161,1015 1.454,1016 4.452,1017 -0.376,1020 53.342,1021 58.203,1022 0.311,1023 0.68,1024 0.826,1025 0.938,1026 0.961,1027 0.961,1028 5.179,1029 1.838,1030 6.107,1031 5.647,1032 4.673,1033 5.226,1034 2.871,1035 7.02,1036 4.588,1037 6.426,1038 1.442,1039 7.745,1040 5.393,1041 4.511,1042 5.165,1043 2.421,1044 8.324,1045 4.363,1046 7.771,1047 1.352,1048 9.498,1049 3.478,1050 6.402,1051 7.445,1052 4.233,1053 11.456,1054 6.241,1055 9.152,1056 1.086,1057 11.323,1058 3.102,1059 7.057,1060 8.144,1061 4.519,1062 13.639,1063 6.831,1064 10.563,1065 1,1066 13.198,1067 2.744,1068 8.49,1069 9.938,1070 5.962,1071 16.414,1072 8.245,1073 11.997,1074 0.894,1075 15.11,1076 2.322,1077 9.495,1078 10.982,1079 6.558,1080 18.928,1081 9.19,1082 13.449,1083 0.706,1084 17.051,1085 2.149,1086 10.787,1087 12.574,1088 7.797,1089 21.626,1090 10.453,1091 3.637,1092 0.216,1093 19.014,1094 1.412,1095 11.942,1096 13.788,1097 8.549,1098 24.255,1099 11.553,1100 3.008,1101 14.728,1102 20.997,1103 0.43,1104 13.202,1105 15.286,1106 9.67,1107 26.941,1108 12.775,1109 2.895,1110 9.969,1111 22.995,1112 4.143,1113 14.422,1114 16.587,1115 10.509,1116 29.609,1117 13.945,1118 2.692,1119 9.59,1120 25.006,1121 4.081,1122 15.681,1123 18.039,1124 11.563,1125 32.295,1126 15.161,1127 2.325,1128 8.307,1129 27.027,1130 3.951,1131 16.931,1132 19.387,1133 12.452,1134 34.977,1135 16.365,1136 2.163,1137 7.348,1138 29.057,1139 3.562,1140 18.197,1141 20.815,1142 13.468,1143 37.664,1144 17.587,1145 1.973,1146 6.581,1147 31.093,1148 3.03,1149 19.464,1150 22.188,1151 14.386,1152 40.351,1153 18.808,1154 12993,1155 24810,1156 23.175,1157 36.739,1158 55.419,1159 58.285,1160 58.184,1161 54.638,1162 54.454,1163 72.35,1164 11.308,1165 166.398,1166 51.924,1167 5.695,1168 6.055,1169 7.566,1170 5.666,1171 5.637,1172 7.143,1173 4.612,1174 23.201,1175 5.48,1176 19.964,1177 1.539,1178 1.619,1179 1.616,1180 1.518,1181 1.513,1182 2.01,1183 0.314,1184 4.622,1185 1.442,1186 4.07,1187 4.101,1188 6.88,1189 3.96,1190 7.815,1191 3.969,1192 3.929,1193 3.948,1194 4.028,1195 3.865,1196 7.428,1197 3.857,1198 3.905,1199 3.92,1200 3.88,1201 3.816,1202 6.999,1203 3.819,1204 3.598,1205 3.641,1206 3.802,1207 3.364,1208 6.469,1209 3.392,1210 3.417,1211 3.451,1212 3.547,1213 3.103,1214 4.86,1215 3.144,1216 3.285,1217 3.344,1218 3.365,1219 3.003,1220 4.756,1221 3.056,1222 3.2,1223 3.26,1224 3.158,1225 2.994,1226 4.66,1227 2.982,1228 3.104,1229 3.123,1230 3.068,1231 2.944,1232 4.569,1233 2.951,1234 0.132,1235 0.113,1236 0.219,1237 0.128,1238 0.101,1239 4.749,1240 0.115,1241 4.055,1242 0.073,1243 7.885,1244 0.409,1245 4.594,1246 0.097,1247 3.637,1248 4.143,1249 2.612,1250 14.728,1251 3.48,1252 1.989,1253 1.962,1254 2.075,1255 2.13,1256 1.233,1257 2.107,1258 1.884,1259 1.872,1260 1.979,1261 2.021,1262 1.077,1263 1.993,1264 1.874,1265 1.853,1266 1.927,1267 1.964,1268 1.068,1269 1.962,1270 1.49,1271 1.436,1272 1.693,1273 1.75,1274 0.808,1275 1.715,1276 1.239,1277 1.189,1278 1.573,1279 1.583,1280 0.576,1281 1.546,1282 1.169,1283 1.127,1284 1.333,1285 1.515,1286 0.345,1287 1.498,1288 1.131,1289 1.075,1290 1.272,1291 1.404,1292 0.241,1293 1.398,1294 1.028,1295 1.003,1296 1.188,1297 1.242,1298 0.222,1299 1.223,1300 4.29,1302 5.652,1304 7.226,1306 8.9,1308 10.629,1309 3.269,1310 3.154,1314 10.047,1317 3.31,1318 5.173,1321 1.252,1322 -1.216,1326 35.899,1327 92.061,1328 201.64,1329 244.939,1330 278.158,1331 284.913,1332 284.913,1333 84.421,1334 7.98,1335 119.98,1336 119.98,1337 24,1338 12.965,1339 4.524,1340 3.807,1341 53.898,1342 123,1343 133,1344 0.206,1345 225.764,1346 399.87,1347 542.625,1348 32816,1349 1.9,1350 23.75,1351 0.72,1352 0.583,1353 24.75,1354 19.237,1355 15.74,1356 0.437,1357 0.295,1358 9.696,1359 14.465,1360 9.396,1361 7.793,1362 16.318,1363 10.608,1364 14.671,1365 0.277,1366 0.157,1367 15.413,1368 8.32,1369 12.81,1370 0.175,1371 0.082,1372 13.571,1373 5.968,1374 10.425,1375 0.11,1376 0.043,1377 11.03,1378 4.104,1379 8.442,1380 0.068,1381 0.022,1382 8.871,1383 2.767,1384 0.315,1385 108.332,1386 0.208,1387 29.964,1388 0.594,1389 178,1390 609.014,1391 264.488,1392 618.841,1393 820.04,1394 570,1395 215,1396 581.082,1397 273.052,1398 594.363,1399 868.39,1400 555,1401 4.467}
{0 CHEMBL2006131,1 1.52,2 7.944,3 1.21,4 1.463,5 69.847,6 7.186,7 0.316,8 3.602,9 3.717,10 3.123,11 3.148,12 4.762,13 3.118,14 4.114,15 4.293,16 3.477,17 3.532,18 5.173,19 3.484,20 4.411,21 4.586,22 3.516,23 3.685,24 5.553,25 3.597,26 4.59,27 4.882,28 3.4,29 3.529,30 5.759,31 3.402,32 4.177,33 4.386,34 2.987,35 3.189,36 5.434,37 3.126,38 3.824,39 4.03,40 3.032,41 3.102,42 4.975,43 3.034,44 3.928,45 4.144,46 2.977,47 3.06,48 5.2,49 2.993,50 3.799,51 4.052,52 2.642,53 2.944,54 4.805,55 2.817,56 0.022,57 0.474,58 7.076,59 3.205,60 8.692,61 4.195,62 0.061,63 0.753,64 12.76,65 5.181,66 17.993,67 7.122,68 0.145,69 0.948,70 17.679,71 6.872,72 37.002,73 9.202,74 0.422,75 0.948,76 24.399,77 7.762,78 80.048,79 11.502,80 0.426,81 0.624,82 16.127,83 4.263,84 76.916,85 5.432,86 0.036,87 0.517,88 9.894,89 3.839,90 13.467,91 5.356,92 0.265,93 0.543,94 11.796,95 3.525,96 42.093,97 4.97,98 0.124,99 0.473,100 10.318,101 3.491,102 23.779,103 5.022,104 17,105 27,106 0.284,107 0.66,108 0.788,109 0.832,110 0.832,111 0.832,112 2.96,113 0.927,114 -1.98,115 -2.03,116 -2.02,120 41.2,121 2,122 2,124 1,137 1,139 1,143 2,145 1,146 2,155 1,157 1,174 5,177 5,182 2,185 8,188 1,189 3,194 1,197 1,200 1,201 5,204 2,206 3,209 3,214 2,222 1,227 3,232 1,235 2,239 1,240 3,243 1,245 1,247 3,252 1,260 3,264 2,271 2,274 364,275 11.569,276 11.569,277 11.569,278 11.569,279 11.569,280 10.258,281 14.802,282 6.803,283 11.695,284 9.377,285 9.377,286 9.377,287 9.377,288 9.377,289 7.429,290 19.632,291 3.245,292 9.573,293 3.568,294 1.554,295 0.868,296 0.633,297 0.633,298 0.633,299 3.608,306 1,307 1,308 295,309 2.646,313 122.006,320 1.074,321 21.813,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 39,333 143,334 4.478,335 3.737,336 6.843,337 4.309,338 3.309,339 3.856,340 1.277,341 11.394,342 3.31,343 4.004,344 3.089,345 6.231,346 3.727,347 2.732,348 3.486,349 0.765,350 9.124,351 2.721,352 3.879,353 2.791,354 5.335,355 3.454,356 2.486,357 3.038,358 0.6,359 6.947,360 2.401,361 3.235,362 2.624,363 4.956,364 2.883,365 1.879,366 2.312,368 5.321,369 1.868,370 3.027,371 1.816,372 3.768,373 2.475,374 1.529,375 2.202,377 3.242,378 1.443,379 2.523,380 1.378,381 3.523,382 1.974,383 1,384 1.5,386 2.441,387 0.968,388 2.5,389 1,390 3.247,391 1.954,392 1,393 1.379,395 2.136,396 0.95,397 1.525,398 0.804,399 3.209,400 1.101,401 0.136,402 0.174,404 0.35,405 0.131,406 0.898,407 0.421,408 2.932,409 0.671,410 -0.347,411 -0.38,413 -0.981,414 -0.34,415 0.765,416 0.033,417 2.385,418 0.428,419 -0.549,420 -0.614,422 -1.431,423 -0.539,424 0.52,425 -0.468,426 2,427 0.222,428 -0.732,429 -1,431 -1.621,432 -0.697,433 0.5,434 -1,435 1.931,437 -1,438 -1.043,440 -2.347,441 -0.974,443 -1,444 1.662,445 -0.026,446 -1,447 -1.5,449 -3,450 -1,451 -0.039,452 -1.178,453 1.555,454 -0.366,455 -1.353,456 -1.606,458 -3.831,459 -1.303,460 -0.193,461 -1.261,462 1.237,463 -0.542,464 -1.532,465 -1.765,467 -4.789,468 -1.515,469 8.467,470 0.47,471 0.608,472 0.034,473 22,474 1.222,475 11,476 0.611,477 11,478 0.611,479 14.257,480 0.792,481 19.733,482 0.58,483 13.846,484 0.769,485 4.157,486 0.231,487 4.32,488 0.24,489 0.197,490 0.059,491 0.236,496 0.761,497 1.273,498 0.831,499 1.104,500 0.729,501 1.002,502 0.666,503 1.086,504 0.755,505 0.979,506 0.593,507 0.889,508 1.057,509 1.353,510 1.233,511 1.411,512 1.102,513 1.366,514 0.679,515 0.843,516 0.672,517 0.836,518 0.724,519 0.769,520 2.73,521 0.629,522 1.564,523 0.629,524 2.875,525 0.873,526 0.687,527 1.271,528 0.774,529 1.17,530 0.648,531 1.018,532 1.354,533 0.904,534 1.166,535 0.912,536 1.355,537 0.986,538 0.977,539 0.888,540 1.072,541 0.961,542 0.866,543 1.01,544 5,545 0.025,546 2.222,547 1.625,548 0.907,549 0.514,550 0.245,551 0.219,552 0.172,553 0.06,554 2655,555 7173,556 1.95,557 47.1,558 6,559 2,561 3,562 1,563 2,564 2,567 1.585,568 1.785,569 2.955,570 -0.28,572 1,574 1,575 51.671,576 1.52,577 3.534,578 4.22,579 4.455,580 4.455,581 4.455,582 2.405,583 3.128,584 4.144,585 3.108,586 475.518,587 7.022,588 4501.03,589 1,590 1,593 172.974,594 1.696,595 4.063,596 0.263,597 0.012,598 0.082,599 0.065,600 0.043,601 0.037,602 0.015,603 0.016,604 0.017,605 0.012,606 0.563,607 0.67,608 1,609 0.714,610 76.461,611 -0.06,612 -0.1,613 0.015,614 0.003,615 -0.073,616 0.015,617 -0.002,618 0.016,619 0.132,620 0.07,621 0.029,622 0.119,623 -0.098,624 -0.305,625 -0.315,626 -0.395,627 -0.125,628 -0.396,629 0.322,630 0.001,631 0.356,632 0.093,633 0.3,634 0.209,635 -0.652,636 0.303,637 -0.454,638 0.249,639 -0.627,640 -0.024,641 0.073,642 -0.27,643 0.15,644 -0.148,645 0.113,646 -0.012,647 -0.013,648 0.126,649 -0.151,650 -0.002,651 -0.048,652 -0.084,653 -0.122,654 0.08,655 -0.107,656 -0.006,657 -0.048,658 -0.039,659 1.726,660 4.917,661 0.667,662 11.333,663 1.001,664 1.127,665 0.746,666 0.556,667 0.654,668 2.996,669 3.332,670 3.466,671 3.689,672 3.761,673 3.738,674 3.434,675 3.555,676 3.555,677 3.497,678 4.814,679 0.622,680 244.32,681 2.996,682 4.533,683 5.342,684 6.225,685 7.048,686 7.936,687 8.766,688 9.656,689 10.49,690 11.383,691 5.9,700 1,701 1,709 4,710 1,714 1,716 6,738 34,739 9,741 19,743 35,744 14,745 5,748 4,752 2,753 2,759 2,760 1,762 1,763 2,766 2,768 9,769 5,772 3,778 1,780 1,781 1,782 3,786 1,789 16,790 4,791 1,792 4,797 2,803 1,804 2,816 1,823 2,834 1,836 1,845 1,846 1,853 1,855 2,859 2,862 18,868 1,869 2,876 1,886 5.9,888 1,889 1,893 10.083,894 6.683,895 3.889,896 1.939,898 2.011,899 1.335,900 0.893,901 3.398,902 8.013,903 3.258,904 3.795,905 4.23,906 4.711,907 5.038,908 5.187,909 5.309,910 5.648,911 5.949,912 6.116,913 1,914 25,915 6.663,917 2.812,918 7.94,919 12.516,921 10.115,924 2.44,925 43.917,926 0.001,929 176.567,930 79.89,931 33.571,933 67.828,936 79.89,937 244.395,938 33.571,939 17.65,940 5.069,941 18.952,942 134.108,943 40.823,945 141.253,947 176.567,948 113.461,949 67.828,952 153.024,953 91.37,956 57.6,957 30.028,958 25.833,960 176.567,961 101.399,962 79.89,965 176.567,966 16.145,967 63.745,969 101.399,970 176.567,971 101.399,972 79.89,973 0.59,974 0.319,975 0.168,976 0.08,977 13,978 6,979 0.057,980 2,982 1,983 2.988,984 122.299,986 12,987 73.059,993 12.659,994 4.831,995 3.125,997 101.399,998 6.82,999 3.932,1003 0.662,1005 42.683,1006 357.856,1007 25,1013 11.917,1015 1.434,1016 4.152,1017 0.387,1020 34.043,1021 38.322,1022 0.299,1023 0.695,1024 0.829,1025 0.876,1026 0.876,1027 0.876,1028 4.505,1029 0.136,1030 5.389,1031 2.136,1032 4.007,1033 4.477,1034 1.817,1035 6.225,1036 3.975,1037 5.737,1038 -0.347,1039 6.974,1040 0.35,1041 3.892,1042 4.311,1044 7.466,1045 3.879,1046 7.063,1047 -0.549,1048 8.673,1049 -0.981,1050 5.7,1051 6.581,1052 1.984,1053 10.407,1054 5.658,1055 8.418,1056 -0.732,1057 10.437,1058 -1.431,1059 6.33,1060 7.111,1062 12.386,1063 6.312,1064 9.8,1065 -1,1066 12.241,1067 -1.621,1068 7.716,1069 8.933,1070 2.321,1071 14.958,1072 7.678,1073 11.2,1074 -1,1075 14.071,1076 -2.347,1077 8.658,1078 9.801,1080 17.202,1081 8.639,1082 12.616,1083 -1.353,1084 15.919,1085 -3,1086 9.9,1087 11.411,1088 2.738,1089 19.669,1090 9.871,1091 3.309,1092 -1.532,1093 17.78,1094 -3.831,1095 10.976,1096 12.464,1098 22.016,1099 10.96,1100 2.732,1101 11.394,1102 19.651,1103 -4.789,1104 12.172,1105 13.959,1106 3.191,1107 24.453,1108 12.151,1109 2.486,1110 9.124,1111 21.529,1112 3.856,1113 13.308,1114 15.122,1116 26.844,1117 13.295,1118 1.879,1119 6.947,1120 23.413,1121 3.486,1122 14.492,1123 16.551,1124 3.66,1125 29.272,1126 14.478,1127 1.529,1128 5.321,1129 25.303,1130 3.038,1131 15.656,1132 17.781,1134 31.683,1135 15.647,1136 1,1137 3.242,1138 27.196,1139 2.312,1140 16.839,1141 19.171,1142 4.139,1143 34.11,1144 16.831,1145 1,1146 2.441,1147 29.093,1148 2.202,1149 18.017,1150 20.443,1152 36.53,1153 18.011,1154 2718,1155 4555,1156 12.019,1157 22.25,1158 29.291,1159 29.715,1160 28.93,1161 28.09,1162 28.144,1163 35.894,1164 5.284,1165 81.909,1166 27.583,1167 5.404,1168 5.737,1169 6.645,1170 5.346,1171 5.309,1172 6.856,1173 2.555,1174 18.702,1175 5.31,1176 9.738,1177 1.542,1178 1.564,1179 1.523,1180 1.478,1181 1.481,1182 1.889,1183 0.278,1184 4.311,1185 1.452,1186 3.967,1187 3.998,1188 3.905,1189 3.862,1190 7.427,1191 3.867,1192 3.836,1193 3.879,1194 3.769,1195 3.725,1196 6.465,1197 3.73,1198 3.45,1199 3.501,1200 3.336,1201 3.314,1202 4.961,1203 3.313,1204 3.117,1205 3.155,1206 3.015,1207 2.887,1208 4.502,1209 2.905,1210 3.047,1211 3.112,1212 2.931,1213 2.842,1214 4.257,1215 2.85,1216 2.874,1217 3.009,1218 2.622,1219 2.618,1220 3.804,1221 2.57,1222 2.766,1223 2.852,1224 2.499,1225 2.569,1226 3.638,1227 2.568,1228 2.639,1229 2.731,1230 2.441,1231 2.45,1232 3.467,1233 2.44,1234 0.236,1235 0.197,1236 0.36,1237 0.227,1238 0.174,1239 4.478,1240 0.203,1241 3.737,1242 0.067,1243 6.843,1244 0.6,1245 4.309,1246 0.174,1247 3.309,1248 3.856,1249 1.277,1250 11.394,1251 3.31,1252 1.919,1253 1.891,1254 2.07,1255 2.047,1256 1.38,1257 2.052,1258 1.809,1259 1.769,1260 1.929,1261 1.948,1262 0.933,1263 1.947,1264 1.43,1265 1.384,1266 1.625,1267 1.609,1268 0.721,1269 1.617,1270 1.047,1271 0.999,1272 1.417,1273 1.313,1274 0.557,1275 1.312,1276 1,1277 0.932,1278 1.337,1279 1.257,1280 0.469,1281 1.308,1282 0.934,1283 0.804,1284 1.277,1285 1.239,1286 0.336,1287 1.263,1288 0.756,1289 0.673,1290 1.066,1291 0.99,1292 0.143,1293 1.018,1294 0.645,1295 0.558,1296 0.949,1297 0.904,1299 0.926,1300 3.664,1302 4.99,1304 6.506,1306 8.111,1308 9.763,1310 3.937,1314 9.905,1315 0.943,1322 -0.174,1326 21.16,1327 51.671,1328 120.145,1329 143.464,1330 151.464,1331 151.464,1332 151.464,1333 39.087,1334 6.001,1335 62.55,1336 62.55,1337 12,1338 11.922,1339 3.322,1340 2.807,1341 31.079,1342 51,1343 48,1344 0.303,1345 134.293,1346 238.88,1347 319.435,1348 2550,1350 13.173,1351 0.732,1352 0.586,1353 13.173,1354 10.551,1355 8.478,1356 0.446,1357 0.309,1358 5.81,1359 8.2,1360 5.551,1361 4.678,1362 8.478,1363 5.873,1364 8.272,1365 0.306,1366 0.195,1367 8.272,1368 5.271,1369 5.844,1370 0.189,1371 0.093,1372 5.844,1373 2.885,1374 5.163,1375 0.132,1376 0.052,1377 5.163,1378 2.018,1379 3.221,1380 0.077,1381 0.028,1382 3.221,1383 1.195,1384 0.466,1385 52.977,1386 0.288,1387 18.107,1388 0.85,1389 92,1390 273.175,1391 99.316,1392 266.638,1393 351.31,1394 246,1395 104,1396 246.244,1397 111.345,1398 253.725,1399 360.9,1400 235,1401 4.779}
{0 CHEMBL2006455,1 1.777,2 8.524,3 3.729,4 13.905,5 88.745,6 10.38,7 0.667,8 3.563,9 3.634,10 3.525,11 3.332,12 4.777,13 3.266,14 4.012,15 4.097,16 3.945,17 3.715,18 5.208,19 3.63,20 4.121,21 4.254,22 3.867,23 3.644,24 5.311,25 3.555,26 4.035,27 4.188,28 3.789,29 3.526,30 5.34,31 3.446,32 3.94,33 4.065,34 3.854,35 3.551,36 5.21,37 3.439,38 3.89,39 4.011,40 3.534,41 3.383,42 5.224,43 3.291,44 3.666,45 3.806,46 3.06,47 3.082,48 4.906,49 2.989,50 3.423,51 3.597,52 2.906,53 2.917,54 4.511,55 2.806,56 0.052,57 0.415,58 2.532,59 2.209,60 4.256,61 2.267,62 0.152,63 0.709,64 6.45,65 3.989,66 5.593,67 3.835,68 0.146,69 0.789,70 13.705,71 5.882,72 11.473,73 5.578,74 0.239,75 0.738,76 9.509,77 4.701,78 27.702,79 4.537,80 0.159,81 0.685,82 13.365,83 5.188,84 11.956,85 3.835,86 0.186,87 0.621,88 9.879,89 4.45,90 22.776,91 3.249,92 0.179,93 0.507,94 9.653,95 3.785,96 22.9,97 2.596,98 0.101,99 0.394,100 3.953,101 2.246,102 11.318,103 2.082,104 2,105 34,106 0.328,107 0.596,108 0.742,109 0.838,110 0.855,111 0.855,112 3.104,113 1.001,114 -5.38,115 -5.26,116 -4.92,120 50,136 1,139 1,143 7,144 1,152 1,153 1,159 1,162 1,163 1,167 1,174 8,176 3,177 2,185 11,189 8,197 6,200 2,201 7,209 3,214 9,222 4,227 8,235 4,240 6,247 3,252 3,260 5,264 1,271 6,274 503,275 14.637,276 14.637,277 14.637,278 14.637,279 14.637,280 12.47,281 7.1,282 8.715,283 15.156,284 11.883,285 11.883,286 11.883,287 11.883,288 11.883,289 8.608,290 6.325,291 4.172,292 12.769,293 3.13,294 1.673,295 0.88,296 0.358,297 0.267,298 0.267,299 3.803,305 1,306 1,307 1,308 402,309 2.121,312 135.759,313 63.628,315 70.589,320 1.451,321 15.639,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44.5,333 179,334 4.656,335 4.667,336 6.981,337 4.23,338 3.313,339 4.336,340 2.95,341 11.837,342 3.036,343 4.115,344 3.421,345 6.082,346 3.67,347 2.726,348 3.652,349 0.98,350 8.779,351 2.59,352 3.881,353 3.18,354 5.546,355 3.439,356 2.476,357 3.427,359 7.296,360 2.363,361 3.562,362 2.688,363 5.227,364 3.033,365 2.094,366 2.959,368 6.243,369 1.934,370 3.104,371 2.444,372 4.831,373 2.612,374 1.727,375 2.274,377 5.059,378 1.528,379 2.973,380 1.89,381 4.269,382 2.484,383 1.502,384 2.142,386 3.679,387 1.452,388 2.706,389 1.467,390 3.617,391 2.202,392 1.266,393 1.735,395 2.985,396 1.167,397 2.5,398 1.14,399 3.427,400 2,401 1,402 1.5,404 2.136,405 1,406 2.353,407 1.035,408 3.262,409 1.822,410 0.887,411 1.277,413 2.096,414 0.815,415 2.152,416 1,417 3.247,418 1.524,419 0.618,420 0.927,422 1.399,423 0.523,424 2.118,425 0.618,426 3,427 1.458,428 0.542,429 0.837,431 1.372,432 0.501,433 1.292,434 0.48,435 2.853,436 0.881,437 -0.039,438 -0.05,440 -0.107,441 -0.035,442 0.819,443 0.207,444 2.285,445 0.375,446 -0.62,447 -0.854,449 -1.483,450 -0.596,451 0.504,452 -0.417,453 2.178,455 -0.962,456 -1.236,458 -2.347,459 -0.902,460 0.5,461 -0.749,462 2,463 -0.003,464 -1,465 -1.5,467 -2.451,468 -1,469 10.7,470 0.51,471 0.432,472 0.021,473 31,474 1.476,475 17.5,476 0.833,477 13.5,478 0.643,479 13.516,480 0.644,481 19.9,482 0.663,483 18.863,484 0.898,485 5.964,486 0.284,487 4.362,488 0.208,489 0.031,491 0.318,496 0.578,497 0.881,498 0.652,499 0.703,500 0.511,501 0.687,502 0.485,503 1.014,504 0.867,505 0.971,506 0.603,507 0.889,508 0.803,509 1.312,510 0.992,511 1.268,512 0.946,513 1.062,514 1.058,515 0.98,516 0.718,517 0.748,518 1.135,519 0.756,520 1.256,521 0.925,522 0.979,523 0.935,524 1.107,525 0.789,526 1.987,527 1.014,528 1.301,529 1.087,530 2.086,531 1.039,532 2.069,533 1.12,534 1.522,535 1.215,536 2.138,537 1.226,538 1.158,539 0.834,540 0.84,541 0.705,542 0.877,543 1.029,544 3,545 0.015,546 2,547 1.507,548 1.011,549 0.615,550 0.31,551 0.172,552 0.071,553 0.014,554 4607,555 13997,556 2.215,557 30,559 8,560 1,567 1.632,568 2.136,569 3.097,570 -0.704,572 1,574 1,575 53.319,576 1.777,577 3.234,578 4.027,579 4.548,580 4.64,581 4.64,582 2.57,583 3.594,584 4.362,585 3.221,586 676.325,587 7.477,588 6983.23,589 1,590 1,591 1,592 1,593 147.207,594 1.166,595 4.35,596 0.125,597 0.003,598 0.059,599 0.05,600 0.036,601 0.023,602 0.014,603 0.011,604 0.006,605 0.001,606 0.328,607 0.33,608 1,609 0.418,610 93.809,611 0.061,612 0.036,613 0.045,614 0.052,615 -0.031,616 0.024,617 0.272,618 -0.046,619 0.001,620 -0.098,621 -0.018,622 -0.114,623 0.135,624 -0.376,625 0.04,626 -0.263,627 0.024,628 -0.086,629 0.178,630 0.044,631 0.195,632 0.182,633 0.151,634 0.187,635 -0.131,636 0.125,637 0.147,638 0.137,639 0.032,640 0.132,641 -0.45,642 -0.005,643 -0.285,644 -0.074,645 -0.2,646 -0.144,647 -0.592,648 -0.093,649 -0.544,650 -0.23,651 -0.405,652 -0.309,653 -0.313,654 0.167,655 -0.101,656 0.099,657 -0.196,658 -0.094,659 1.729,660 5.577,661 0.905,662 16.041,663 1.015,664 1.093,665 4.147,666 17.199,667 0.802,668 3.219,669 3.555,670 3.892,671 4.22,672 4.357,673 4.477,674 4.644,675 4.718,676 4.762,677 4.754,678 5.118,679 0.758,680 311.41,681 3.219,682 4.762,683 5.638,684 6.535,685 7.432,686 8.339,687 9.246,688 10.16,689 11.073,690 11.99,691 10,699 1,701 2,709 8,710 2,713 1,714 4,715 1,716 16,738 30,739 18,740 1,741 24,743 33,744 15,745 12,746 1,747 5,748 3,752 4,753 5,768 15,772 2,778 1,780 1,782 2,786 1,789 9,790 3,792 6,793 2,797 3,803 0.75,804 1,822 3,823 1,825 1,845 2,855 3,856 1,857 2,862 21,873 1,880 1,883 1,886 3.3,889 1,893 9.833,894 5.6,895 4.556,896 1.721,898 3.366,899 1.473,900 1.059,901 3.151,902 10.481,903 3.555,904 4.174,905 4.816,906 5.429,907 5.813,908 6.172,909 6.607,910 6.987,911 7.325,912 7.618,913 0.833,914 30,915 7.737,917 3.384,918 7.722,919 14.728,921 12.341,924 2.222,925 46.667,929 105.94,930 160.777,931 35.225,933 25.145,935 63.497,936 97.279,937 131.085,938 35.225,941 83.459,942 67.054,943 5.778,944 13.13,945 157.666,947 105.94,948 132.505,949 25.145,950 63.497,952 105.94,953 25.145,956 4.92,957 83.231,958 44.353,959 63.497,960 105.94,961 60.37,962 160.777,965 105.94,966 77.318,967 85.358,969 58.471,970 105.94,971 60.37,972 160.777,973 0.58,974 0.349,975 0.201,976 0.1,977 19,978 7,979 0.061,980 2,981 1,982 1.105,983 3.443,984 170.307,985 0.105,986 19,987 88.239,989 2,993 12.839,994 5.153,995 2.217,997 58.471,998 15.648,999 8.243,1002 1.55,1003 3.202,1004 1.589,1006 327.087,1007 34,1013 12.577,1015 1.889,1017 0.608,1020 30.436,1021 32.79,1022 0.362,1023 0.659,1024 0.821,1025 0.927,1026 0.946,1027 0.946,1028 4.779,1029 1,1030 5.617,1031 2.985,1032 4.234,1033 4.86,1034 3.012,1035 6.463,1036 4.097,1037 5.994,1038 0.887,1039 7.188,1040 2.136,1041 3.761,1042 4.527,1044 7.424,1045 3.541,1046 7.304,1047 0.618,1048 8.865,1049 2.096,1050 5.844,1051 7.059,1052 5.039,1053 10.598,1054 5.567,1055 8.657,1056 0.542,1057 10.61,1058 1.399,1059 6.293,1060 7.654,1062 12.472,1063 5.907,1064 10.047,1065 -0.039,1066 12.399,1067 1.372,1068 7.789,1069 9.547,1070 7.186,1071 15.155,1072 7.356,1073 11.465,1074 -0.62,1075 14.219,1076 -0.107,1077 8.65,1078 10.576,1080 17.387,1081 8.099,1082 12.903,1083 -0.962,1084 16.062,1085 -1.483,1086 9.935,1087 12.208,1088 9.348,1089 19.922,1090 9.327,1091 3.313,1092 -1,1093 17.923,1094 -2.347,1095 10.98,1096 13.452,1098 22.297,1099 10.256,1100 2.726,1101 11.837,1102 19.798,1103 -2.451,1104 12.192,1105 14.975,1106 11.511,1107 24.785,1108 11.398,1109 2.476,1110 8.779,1111 21.685,1112 4.336,1113 13.317,1114 16.325,1116 27.216,1117 12.414,1118 2.094,1119 7.296,1120 23.581,1121 3.652,1122 14.508,1123 17.805,1124 13.675,1125 29.691,1126 13.524,1127 1.727,1128 6.243,1129 25.484,1130 3.427,1131 15.668,1132 19.208,1134 32.144,1135 14.584,1136 1.502,1137 5.059,1138 27.394,1139 2.959,1140 16.855,1141 20.672,1142 15.838,1143 34.615,1144 15.684,1145 1.266,1146 3.679,1147 29.309,1148 2.274,1149 18.033,1150 22.103,1152 37.079,1153 16.765,1154 4294,1155 7654,1156 16.701,1157 24.051,1158 37.076,1159 39.362,1160 36.686,1161 36.325,1162 36.304,1163 50.136,1164 7.86,1165 105.76,1166 33.817,1167 5.503,1168 6.667,1169 6.782,1170 5.396,1171 5.313,1172 7.336,1173 5.9,1174 19.262,1175 5.036,1176 5.184,1177 1.545,1178 1.64,1179 1.529,1180 1.514,1181 1.513,1182 2.089,1183 0.327,1184 4.407,1185 1.409,1186 4.048,1187 4.078,1188 4.281,1189 3.983,1190 7.428,1191 3.949,1192 3.887,1193 3.915,1194 4.09,1195 3.866,1196 5.054,1197 3.829,1198 3.72,1199 3.735,1200 3.799,1201 3.673,1202 4.768,1203 3.635,1204 3.289,1205 3.329,1206 3.321,1207 3.146,1208 4.604,1209 3.16,1210 2.865,1211 2.925,1212 2.977,1213 2.735,1214 4.104,1215 2.715,1216 2.854,1217 2.893,1218 2.783,1219 2.68,1220 3.674,1221 2.686,1222 2.577,1223 2.605,1224 2.687,1225 2.502,1226 3.535,1227 2.463,1228 2.429,1229 2.497,1230 2.682,1231 2.376,1232 3.406,1233 2.255,1234 0.194,1235 0.194,1236 0.291,1237 0.176,1238 0.138,1239 4.656,1240 0.181,1241 4.667,1242 0.123,1243 6.981,1244 0.493,1245 4.23,1246 0.126,1247 3.313,1248 4.336,1249 2.95,1250 11.837,1251 3.036,1252 1.916,1253 1.892,1254 2.03,1255 1.987,1256 1.106,1257 2.004,1258 1.611,1259 1.588,1260 1.688,1261 1.777,1262 0.816,1263 1.741,1264 1.442,1265 1.417,1266 1.539,1267 1.564,1268 0.649,1269 1.578,1270 1.369,1271 1.369,1272 1.354,1273 1.41,1274 0.612,1275 1.455,1276 1.198,1277 1.175,1278 1.181,1279 1.397,1280 0.328,1281 1.37,1282 0.886,1283 0.821,1284 1.12,1285 1.062,1286 0.218,1287 1.107,1288 0.859,1289 0.818,1290 0.95,1291 1.045,1292 0.081,1293 1.064,1294 0.672,1295 0.619,1296 0.814,1297 0.852,1299 0.882,1300 3.892,1302 5.22,1303 3.434,1304 6.735,1305 5.778,1306 8.339,1307 7.861,1308 10,1319 1.363,1326 22.734,1327 53.319,1328 97.026,1329 120.8,1330 136.452,1331 139.207,1332 139.207,1333 25.943,1334 7.115,1335 47.26,1336 103.74,1337 21,1338 12.502,1339 4.248,1340 3.459,1341 28.003,1342 65,1343 62,1344 0.22,1345 145.376,1346 240.97,1347 346.478,1348 10716,1350 14.234,1351 0.678,1352 0.59,1353 14.941,1354 12.396,1355 10.326,1356 0.43,1357 0.334,1358 6.398,1359 9.144,1360 6.125,1361 5.062,1362 11.189,1363 8.01,1364 9.218,1365 0.271,1366 0.188,1367 10.443,1368 6.402,1369 8.232,1370 0.171,1371 0.102,1372 9.708,1373 4.912,1374 7.25,1375 0.108,1376 0.056,1377 8.852,1378 3.74,1379 5.334,1380 0.069,1381 0.029,1382 6.648,1383 2.262,1384 0.337,1385 72.568,1386 0.245,1387 20.644,1388 0.631,1389 116,1390 348.392,1391 173.865,1392 383.964,1393 533.67,1394 360,1395 140,1396 374.467,1397 193.715,1398 408.722,1399 605.29,1400 385,1401 4.632}
{0 CHEMBL261123,1 1.618,2 8.421,3 4.296,4 18.454,5 73.43,6 9.024,7 0.81,8 3.526,9 3.613,10 3.268,11 3.18,12 4.726,13 3.158,14 3.975,15 4.102,16 3.631,17 3.533,18 5.145,19 3.496,20 4.126,21 4.282,22 3.653,23 3.582,24 5.244,25 3.511,26 4.172,27 4.369,28 3.675,29 3.411,30 5.36,31 3.366,32 3.948,33 4.131,34 3.367,35 3.19,36 5.121,37 3.153,38 3.512,39 3.648,40 3.016,41 2.971,42 4.631,43 2.936,44 3.536,45 3.674,46 3.032,47 3.03,48 4.666,49 2.954,50 3.609,51 3.794,52 2.903,53 3.058,54 4.644,55 2.903,56 0.065,57 0.385,58 3.994,59 2.388,60 5.377,61 2.874,62 0.113,63 0.617,64 7.871,65 4.043,66 10.044,67 4.979,68 0.083,69 0.692,70 11.835,71 5.132,72 12.441,73 6.31,74 0.299,75 0.737,76 16.474,77 5.207,78 28.808,79 5.982,80 0.314,81 0.57,82 16.161,83 3.999,84 28.485,85 3.927,86 0.101,87 0.383,88 5.202,89 2.327,90 8.805,91 2.399,92 0.13,93 0.37,94 6.083,95 2.604,96 11.21,97 2.692,98 0.09,99 0.391,100 9.294,101 3.301,102 11.679,103 4.136,104 5,105 29,106 0.303,107 0.577,108 0.68,109 0.805,110 0.839,111 0.839,112 3.011,113 0.896,114 -6.1,115 -5.95,116 -5.53,120 50,121 1,143 8,144 3,145 1,150 1,162 1,167 1,174 11,176 2,177 4,185 14,189 8,197 8,201 13,209 4,214 9,222 3,227 4,235 7,240 1,247 10,260 10,271 7,274 398,275 12.93,276 12.93,277 12.93,278 12.93,279 12.93,280 10.883,281 4.027,282 7.699,283 13.128,284 10.376,285 10.376,286 10.376,287 10.376,288 10.376,289 7.415,290 3.083,291 3.673,292 10.752,293 3.289,294 1.825,295 1.275,296 0.609,297 0.425,298 0.425,299 3.689,303 1,306 1,307 1,308 346,309 1.732,312 48.179,313 120.364,320 1.346,321 12.443,324 0.75,325 0.83,326 1,327 0.6,329 1,330 1,331 0.74,332 40.333,333 160,334 4.442,335 3.242,336 6.492,337 4.032,338 3.072,339 4.146,341 10.13,342 2.941,343 4.165,344 2.873,345 6.121,346 3.756,347 2.789,348 3.786,350 8.958,351 2.695,352 3.718,353 2.435,354 5.254,355 3.303,356 2.315,357 3.223,359 6.538,360 2.287,361 3.368,362 2.263,363 4.794,364 2.901,365 1.942,366 2.715,368 5.219,369 1.849,370 3.028,371 1.788,372 4.363,373 2.561,374 1.629,375 2.229,377 4.117,378 1.477,379 2.756,380 1.356,381 3.895,382 2.264,383 1.295,384 1.87,386 3.132,387 1.208,388 2.5,389 1,390 3.465,391 2,392 1,393 1.5,395 2.417,396 1,397 2.421,398 0.958,399 3.263,400 1.914,401 0.943,402 1.384,404 2.136,405 0.913,406 2.163,407 0.673,408 3.247,409 1.628,410 0.669,411 0.997,413 1.638,414 0.64,415 1.255,416 0.312,417 2.655,418 0.865,419 -0.068,420 -0.086,422 -0.165,423 -0.056,424 0.796,425 -0.037,426 2.359,427 0.339,428 -0.515,429 -0.621,431 -1.242,432 -0.384,433 0.741,434 -0.672,435 2.235,436 0.308,437 -0.68,438 -0.922,440 -1.555,441 -0.673,442 0.5,443 -0.998,444 1.879,446 -1,447 -1.432,449 -2.347,450 -1,451 0.189,452 -1,453 1.555,454 -0.13,455 -1.111,456 -1.5,458 -3.048,459 -1.076,460 0.031,461 -1.177,462 1.373,463 -0.412,464 -1.372,465 -1.861,467 -3.745,468 -1.191,469 9.348,470 0.492,471 0.435,472 0.023,473 28,474 1.474,475 16,476 0.842,477 12,478 0.632,479 11.57,480 0.609,481 18.852,482 0.628,483 17.022,484 0.896,485 5.659,486 0.298,487 3.578,488 0.188,489 0.13,491 0.321,496 0.55,497 1,498 0.529,499 0.816,500 0.652,501 0.784,502 0.593,503 1.016,504 0.599,505 0.875,506 0.606,507 0.846,508 0.833,509 1.304,510 0.912,511 1.138,512 0.865,513 1.073,514 1.213,515 1.163,516 0.957,517 1.001,518 1.009,519 0.889,520 2.226,521 0.815,522 1.649,523 0.895,524 1.938,525 0.832,526 1.522,527 0.951,528 0.836,529 0.841,530 1.184,531 0.921,532 1.618,533 0.78,534 1.063,535 0.759,536 1.33,537 0.954,538 0.847,539 0.942,540 1.515,541 1.251,542 1.202,543 1.328,544 3.5,545 0.025,546 2.222,547 1.125,548 0.739,549 0.65,550 0.269,551 0.135,552 0.103,553 0.078,554 3344,555 9687,556 2.113,557 36.7,558 3,559 8,567 1.601,568 2,569 3.07,570 -0.776,572 1,575 48.55,576 1.618,577 3.082,578 3.631,579 4.298,580 4.482,581 4.482,582 2.531,583 4.037,584 4.22,585 3.169,586 541.835,587 7.177,588 5246.38,590 1,592 1,593 147.207,594 1.324,595 4.189,596 0.167,597 0.008,598 0.077,599 0.042,600 0.031,601 0.034,602 0.018,603 0.01,604 0.009,605 0.011,606 0.406,607 0.83,608 0.88,609 0.565,610 82.151,611 0.166,612 -0.003,613 0.028,614 0.001,615 -0.019,616 0.004,617 0.182,618 -0.021,619 0.081,620 -0.01,621 0.129,622 0.007,623 -0.004,624 -0.357,625 -0.003,626 -0.205,627 0.001,628 -0.145,629 0.123,630 -0.127,631 0.16,632 -0.03,633 0.241,634 0.064,635 -0.418,636 0.259,637 -0.275,638 0.092,639 -0.368,640 0.072,641 -0.321,642 0.095,643 -0.16,644 0.013,645 -0.256,646 -0.105,647 -0.407,648 0.195,649 -0.192,650 0.163,651 -0.334,652 -0.085,653 -0.154,654 -0.035,655 -0.309,656 -0.235,657 -0.256,658 -0.314,659 1.233,660 2.08,661 0.895,662 13.108,663 1.009,664 1.108,665 4.874,666 23.756,667 0.738,668 3.091,669 3.401,670 3.664,671 3.912,672 4.06,673 4.111,674 4.143,675 4.174,676 4.234,677 4.159,678 4.931,679 0.707,680 270.73,681 3.091,682 4.615,683 5.46,684 6.33,685 7.191,686 8.067,687 8.934,688 9.813,689 10.684,690 11.565,691 6.7,701 2,709 8,710 2,712 1,714 6,716 17,737 1,738 30,739 17,740 2,741 21,743 32,744 15,745 14,746 4,747 8,752 3,753 3,754 1,759 1,768 14,769 1,786 1,789 11,790 3,792 4,793 1,797 2,803 1,804 1,822 1,823 2,855 3,859 1,860 1,862 19,885 1,886 3.3,891 1,893 9.5,894 5.876,895 4.167,896 1.754,898 3.13,899 1.479,900 1.004,901 3.158,902 9.664,903 3.418,904 4.047,905 4.653,906 5.25,907 5.719,908 6.002,909 6.373,910 6.738,911 7.125,912 7.382,913 0.833,914 27,915 6.946,917 2.906,918 7.69,919 13.194,921 10.58,924 2.19,925 41.611,926 0.001,929 129.482,930 105.04,931 36.382,932 39.149,933 9.734,936 105.04,937 178.365,938 36.382,939 8.825,941 75.81,942 41.402,943 25.119,945 129.482,946 39.149,947 129.482,948 141.423,949 9.734,950 39.149,952 131.81,953 9.734,956 13.845,957 88.867,958 75.531,960 129.482,961 46.116,962 144.189,965 129.482,966 20.405,967 84.635,969 85.265,970 129.482,971 46.116,972 144.189,973 0.579,974 0.337,975 0.184,976 0.094,977 15,978 6,979 0.063,980 2,982 1,983 3.199,984 139.65,986 17,987 76.711,993 12.092,994 4.962,995 2.434,997 46.116,998 15.42,999 8.361,1001 5.28,1003 4.374,1006 319.787,1007 29.5,1020 30.273,1021 33.226,1022 0.33,1023 0.628,1024 0.74,1025 0.876,1026 0.913,1027 0.913,1028 4.618,1029 0.943,1030 5.434,1031 2.417,1032 4.078,1033 4.732,1035 6.225,1036 4.004,1037 5.833,1038 0.669,1039 6.978,1040 2.136,1041 3.611,1042 4.407,1044 7.081,1045 3.455,1046 7.133,1047 -0.068,1048 8.624,1049 1.638,1050 5.645,1051 6.938,1053 10.178,1054 5.509,1055 8.471,1056 -0.515,1057 10.331,1058 -0.165,1059 6.019,1060 7.456,1062 11.881,1063 5.797,1064 9.84,1065 -0.68,1066 12.077,1067 -1.242,1068 7.505,1069 9.401,1071 14.472,1072 7.294,1073 11.232,1074 -1,1075 13.851,1076 -1.555,1077 8.263,1078 10.33,1080 16.511,1081 7.971,1082 12.641,1083 -1.111,1084 15.643,1085 -2.347,1086 9.524,1087 12.007,1089 18.922,1090 9.228,1091 3.072,1092 -1.372,1093 17.45,1094 -3.048,1095 10.465,1096 13.152,1098 21.104,1099 10.096,1100 2.789,1101 10.13,1102 19.267,1103 -3.745,1104 11.631,1105 14.695,1107 23.446,1108 11.243,1109 2.315,1110 8.958,1111 21.092,1112 4.146,1113 12.658,1114 15.958,1116 25.691,1117 12.207,1118 1.942,1119 6.538,1120 22.923,1121 3.786,1122 13.786,1123 17.433,1125 28.007,1126 13.305,1127 1.629,1128 5.219,1129 24.76,1130 3.223,1131 14.854,1132 18.761,1134 30.281,1135 14.317,1136 1.295,1137 4.117,1138 26.6,1139 2.715,1140 15.967,1141 20.202,1143 32.588,1144 15.394,1145 1,1146 3.132,1147 28.443,1148 2.229,1149 17.055,1150 21.566,1152 34.877,1153 16.431,1154 3249,1155 5663,1156 14.216,1157 22.131,1158 31.837,1159 31.667,1160 32.072,1161 31.492,1162 31.308,1163 43.702,1165 88.568,1166 30.019,1167 5.109,1168 5.242,1169 6.294,1170 5.034,1171 5.072,1172 7.146,1174 16.955,1175 4.941,1176 7.376,1177 1.516,1178 1.508,1179 1.527,1180 1.5,1181 1.491,1182 2.081,1184 4.218,1185 1.429,1186 4.02,1187 4.042,1188 4.066,1189 3.927,1190 5.304,1191 3.931,1192 3.877,1193 3.903,1194 3.868,1195 3.828,1196 4.884,1197 3.82,1198 3.605,1199 3.639,1200 3.579,1201 3.364,1202 4.712,1203 3.411,1204 3.131,1205 3.205,1206 3.357,1207 2.997,1208 4.352,1209 2.982,1210 2.877,1211 2.925,1212 2.902,1213 2.79,1214 3.857,1215 2.764,1216 2.854,1217 2.921,1218 2.687,1219 2.735,1220 3.809,1221 2.715,1222 2.786,1223 2.836,1224 2.659,1225 2.63,1226 3.674,1227 2.631,1228 2.432,1229 2.513,1230 2.297,1231 2.244,1232 3.529,1233 2.223,1234 0.212,1235 0.154,1236 0.309,1237 0.192,1238 0.146,1239 4.442,1240 0.197,1241 3.242,1243 6.492,1244 0.482,1245 4.032,1246 0.14,1247 3.072,1248 4.146,1250 10.13,1251 2.941,1252 1.922,1253 1.902,1254 2.019,1255 1.994,1256 1.143,1257 2.006,1258 1.892,1259 1.866,1260 2.003,1261 1.973,1262 1.078,1263 1.985,1264 1.305,1265 1.261,1266 1.537,1267 1.522,1268 0.63,1269 1.514,1270 1.144,1271 1.099,1272 1.262,1273 1.398,1274 0.312,1275 1.341,1276 0.886,1277 0.824,1278 1.181,1279 1.217,1280 0.218,1281 1.19,1282 0.875,1283 0.821,1284 1.086,1285 1.062,1286 0.162,1287 1.107,1288 0.863,1289 0.819,1290 1.05,1291 1.01,1292 0.072,1293 1.054,1294 0.543,1295 0.474,1296 0.764,1297 0.808,1299 0.822,1300 3.761,1302 5.069,1303 2.398,1304 6.572,1305 4.595,1306 8.161,1307 6.605,1308 9.793,1310 1.985,1311 6.192,1326 21.219,1327 48.55,1328 92.452,1329 108.942,1330 128.942,1331 134.452,1332 134.452,1333 21.524,1334 6.534,1335 38.92,1336 38.92,1337 17,1338 12.102,1339 4.17,1340 3.248,1341 27.865,1342 56,1343 51,1344 0.252,1345 134.974,1346 223.16,1347 321.096,1348 5157,1349 3.3,1350 13.242,1351 0.697,1352 0.582,1353 13.742,1354 11.055,1355 9.237,1356 0.44,1357 0.299,1358 5.871,1359 8.702,1360 5.663,1361 4.735,1362 9.526,1363 6.273,1364 8.291,1365 0.286,1366 0.161,1367 8.661,1368 4.68,1369 6.934,1370 0.182,1371 0.082,1372 7.266,1373 3.126,1374 5.864,1375 0.12,1376 0.044,1377 6.285,1378 2.147,1379 4.284,1380 0.075,1381 0.022,1382 4.479,1383 1.26,1384 0.386,1385 60.369,1386 0.265,1387 18.961,1388 0.711,1389 100,1390 301.229,1391 123.003,1392 326.022,1393 443.72,1394 304,1395 117,1396 318.703,1397 137.276,1398 331.531,1399 481.99,1400 311,1401 6.796}
{0 CHEMBL261692,1 1.592,2 6.313,3 1.047,4 1.096,5 60.533,6 8.45,7 0.611,8 3.37,9 3.482,10 3.05,11 2.962,12 4.585,13 2.971,14 3.819,15 3.951,16 3.395,17 3.343,18 5.054,19 3.33,20 3.964,21 4.147,22 3.26,23 3.33,24 5.12,25 3.279,26 3.867,27 4.057,28 3.13,29 3.186,30 5.033,31 3.136,32 3.776,33 3.968,34 3.104,35 3,36 5.13,37 2.986,38 3.611,39 3.803,40 2.876,41 2.803,42 4.925,43 2.782,44 3.386,45 3.632,46 2.226,47 2.507,48 4.419,49 2.394,50 2.96,51 3.273,52 1.429,53 1.982,54 3.689,55 1.772,56 0.041,57 0.391,58 3.836,59 1.87,60 4.059,61 2.127,62 0.128,63 0.606,64 6.536,65 3.111,66 10.466,67 3.681,68 0.124,69 0.637,70 9.516,71 4.087,72 18.021,73 5.012,74 0.122,75 0.574,76 8.885,77 3.644,78 16.27,79 4.468,80 0.188,81 0.513,82 8.688,83 3.256,84 26.298,85 3.964,86 0.203,87 0.45,88 7.201,89 2.455,90 24.877,91 2.822,92 0.135,93 0.353,94 6.346,95 2.039,96 17.034,97 2.527,98 0.068,99 0.213,100 4.857,101 1.608,102 7.569,103 2.363,104 2,105 25,106 0.312,107 0.677,108 0.831,109 0.893,110 0.909,111 0.909,112 2.855,113 0.826,114 -2.58,115 -2.6,116 -2.54,120 48,136 1,137 1,143 4,144 1,145 1,147 1,152 1,159 1,161 1,174 6,177 2,180 2,182 3,185 6,189 3,194 4,197 5,201 3,206 2,209 3,213 1,214 3,217 1,219 1,222 1,227 2,230 1,231 1,232 1,240 1,245 2,257 1,274 256,275 11.069,276 11.069,277 11.069,278 11.069,279 11.069,280 9.459,281 7.52,282 6.641,283 11.232,284 8.916,285 8.916,286 8.916,287 8.916,288 8.916,289 6.485,290 10.692,291 3.176,292 9.156,293 3.052,294 1.186,295 0.4,296 0.08,299 3.53,306 1,307 1,308 222,309 1.871,312 65.181,313 36.211,316 54.921,320 0.977,321 12.97,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 34.5,333 101,334 4.526,335 3.654,336 6.726,337 4.176,338 3.184,339 4.117,340 1.058,341 10.951,342 3.158,343 3.944,344 2.76,345 5.554,346 3.483,347 2.525,348 3.523,350 7.32,351 2.419,352 3.584,353 2.537,354 5.248,355 3.129,356 2.121,357 2.952,359 6.298,360 2.126,361 3.086,362 1.905,363 4.748,364 2.677,365 1.701,366 2.214,368 4.936,369 1.654,370 2.839,371 1.508,372 3.659,373 2.359,374 1.354,375 1.97,377 2.938,378 1.358,379 2.683,380 1.244,381 3.6,382 2.17,383 1.228,384 1.734,386 2.768,387 1.153,388 2.29,389 0.857,390 3.29,391 1.715,392 0.734,393 1.081,395 1.83,396 0.717,397 2.118,398 0.618,399 3,400 1.532,401 0.618,402 0.927,404 1.372,405 0.564,406 1.32,407 0.527,408 2.669,409 0.884,410 -0.111,411 -0.153,413 -0.283,414 -0.11,415 0.806,416 -0.305,417 2.313,418 0.382,419 -0.643,420 -0.865,422 -1.614,423 -0.652,424 0.513,425 -0.813,426 2,427 0.049,428 -0.951,429 -1.203,431 -2.375,432 -0.933,433 0.37,434 -0.915,435 1.89,436 0.003,437 -1,438 -1.484,440 -2.502,441 -1.016,442 -0.027,443 -1.381,444 1.302,445 -0.548,446 -1.517,447 -2.125,449 -3.62,450 -1.445,451 -0.118,452 -1.604,453 1.267,454 -0.681,455 -1.618,456 -2.169,458 -4.372,459 -1.514,460 -0.478,461 -1.618,462 1.028,463 -0.774,464 -1.75,465 -2.329,467 -4.851,468 -1.691,469 7.533,470 0.471,471 0.329,472 0.021,473 24.25,474 1.516,475 13.5,476 0.844,477 10.75,478 0.672,479 7.811,480 0.488,481 15.867,482 0.635,483 14.279,484 0.892,485 4.977,486 0.311,487 2.866,488 0.179,489 0.044,491 0.332,496 0.799,497 1.142,498 0.681,499 0.846,500 0.565,501 0.748,502 0.637,503 1.014,504 0.825,505 0.957,506 0.58,507 0.926,508 0.954,509 1.007,510 0.997,511 1.08,512 0.992,513 1.054,514 1.049,515 1.05,516 1.026,517 1.101,518 1.05,519 1.068,520 1.205,521 1.016,522 0.872,523 0.998,524 1.479,525 0.917,526 1.491,527 1.058,528 1.179,529 0.993,530 1.739,531 1.036,532 1.414,533 0.978,534 1.503,535 1.036,536 1.205,537 1.225,538 0.585,539 0.843,540 1.168,541 1.033,542 0.298,543 1.156,544 2.5,546 1.556,547 1.361,548 0.572,549 0.393,550 0.112,551 0.043,552 0.01,554 2016,555 5882,556 2.174,557 36,559 5,560 1,561 1,562 2,567 1.553,568 2.087,569 2.712,570 0.451,574 1,575 39.793,576 1.592,577 3.458,578 4.244,579 4.564,580 4.644,581 4.644,582 2.18,583 3.578,584 3.975,585 2.794,586 335.272,587 6.703,588 2841.89,590 1,593 116.096,594 1.198,595 3.954,596 0.139,598 0.062,599 0.065,600 0.032,601 0.023,602 0.009,603 0.007,604 0.005,606 0.341,607 0.67,608 1,609 0.5,610 63.239,611 -0.12,612 -0.063,613 0.02,614 0.04,615 -0.078,616 0.057,617 0.105,618 0.04,619 -0.073,620 -0.056,621 0.02,622 -0.09,623 -0.095,624 -0.079,625 -0.08,626 -0.1,627 -0.065,628 -0.086,629 -0.11,630 -0.121,631 -0.078,632 -0.127,633 -0.047,634 -0.099,635 0.12,636 -0.092,637 0.156,638 -0.032,639 0.089,640 0.04,641 -0.053,642 -0.064,643 -0.168,644 -0.082,645 -0.168,646 -0.146,647 -0.37,648 -0.006,649 -0.434,650 -0.09,651 -0.273,652 -0.234,653 0.017,654 0.014,655 0.047,656 0.02,657 0.052,658 0.043,659 1.746,660 4.74,661 0.875,662 8.75,663 1.011,664 1.118,665 1.349,666 1.819,667 0.71,668 2.944,669 3.258,670 3.555,671 3.85,672 3.951,673 3.951,674 4.043,675 4.078,676 3.807,677 3.664,678 3.99,679 0.694,680 211.24,681 2.944,682 4.466,683 5.323,684 6.205,685 7.083,686 7.971,687 8.857,688 9.749,689 10.639,690 11.532,691 12,698 1,699 1,701 1,709 6,710 1,711 1,714 3,716 11,738 25,739 13,740 1,741 18,743 27,744 12,745 9,746 2,747 4,748 3,752 3,753 4,768 12,772 2,778 1,780 1,782 2,786 1,789 9,790 3,791 2,792 4,794 1,797 3,803 0.667,804 1,822 2,823 1,826 1,838 1,845 1,846 1,855 2,862 16,871 1,886 4,889 1,893 7.667,894 4.45,895 3.5,896 1.388,898 2.639,899 1.423,900 1.056,901 2.031,902 8.883,903 3.277,904 3.866,905 4.467,906 5.043,907 5.44,908 5.703,909 6.097,910 6.454,911 6.546,912 6.741,913 1,914 21,915 5.868,917 2.53,918 7.833,919 11.043,921 9.061,924 2.333,925 37.333,926 0.002,929 82.398,930 81.637,931 51.582,933 25.145,936 81.637,937 107.543,938 51.582,940 18.011,941 56.429,942 67.025,943 28.67,944 11.771,945 58.856,947 82.398,948 133.218,949 25.145,952 82.398,953 25.145,956 46.172,957 60.785,958 26.262,960 82.398,961 76.727,962 81.637,965 82.398,966 16.589,967 65.047,968 34.796,969 41.93,970 82.398,971 76.727,972 81.637,973 0.576,974 0.343,975 0.198,976 0.098,977 14,978 5,979 0.037,980 1,981 1,982 1.143,983 2.922,984 112.433,985 0.143,986 14,987 64,993 9.218,994 3.524,995 1.539,997 59.941,998 10.963,999 4.075,1000 2.855,1003 2.534,1005 34.796,1006 240.761,1007 25.5,1013 11.74,1015 1.775,1017 0.576,1020 25.284,1021 27.95,1022 0.343,1023 0.745,1024 0.914,1025 0.983,1026 1,1027 1,1028 4.486,1029 0.618,1030 5.293,1031 1.83,1032 3.932,1033 4.549,1034 1.176,1035 6.107,1036 3.889,1037 5.691,1038 -0.111,1039 6.845,1040 1.372,1041 3.434,1042 4.182,1044 7.002,1045 3.41,1046 6.991,1047 -0.643,1048 8.502,1049 -0.283,1050 5.509,1051 6.712,1052 1.255,1053 10.149,1054 5.437,1055 8.333,1056 -0.951,1057 10.226,1058 -1.614,1059 5.916,1060 7.239,1062 11.955,1063 5.856,1064 9.71,1065 -1,1066 11.992,1067 -2.375,1068 7.414,1069 9.148,1070 1.338,1071 14.595,1072 7.325,1073 11.112,1074 -1.517,1075 13.79,1076 -2.502,1077 8.238,1078 10.103,1080 16.763,1081 8.155,1082 12.535,1083 -1.618,1084 15.609,1085 -3.62,1086 9.513,1087 11.743,1088 1.422,1089 19.241,1090 9.414,1091 3.184,1092 -1.75,1093 17.446,1094 -4.372,1095 10.524,1096 12.914,1098 21.549,1099 10.426,1100 2.525,1101 10.951,1102 19.297,1103 -4.851,1104 11.717,1105 14.43,1106 1.51,1107 23.971,1108 11.609,1109 2.121,1110 7.32,1111 21.158,1112 4.117,1113 12.809,1114 15.712,1116 26.333,1117 12.699,1118 1.701,1119 6.298,1120 23.027,1121 3.523,1122 13.974,1123 17.17,1124 1.599,1125 28.736,1126 13.856,1127 1.354,1128 4.936,1129 24.904,1130 2.952,1131 15.101,1132 18.51,1134 31.117,1135 14.98,1136 1.228,1137 2.938,1138 26.786,1139 2.214,1140 16.258,1141 19.941,1142 1.69,1143 33.514,1144 16.13,1145 0.734,1146 2.768,1147 28.673,1148 1.97,1149 17.401,1150 21.313,1152 35.903,1153 17.267,1154 1954,1155 3416,1156 12.425,1157 17.756,1158 27.472,1159 28.02,1160 27.206,1161 26.837,1162 26.932,1163 37.04,1164 2.117,1165 76.822,1166 26.297,1167 5.335,1168 5.654,1169 6.407,1170 5.215,1171 5.184,1172 7.117,1173 2.117,1174 17.863,1175 5.158,1176 4.343,1177 1.526,1178 1.557,1179 1.511,1180 1.491,1181 1.496,1182 2.058,1183 0.118,1184 4.268,1185 1.461,1186 4.036,1187 4.068,1188 3.997,1189 3.95,1190 7.429,1191 3.957,1192 3.846,1193 3.907,1194 3.789,1195 3.668,1196 5.009,1197 3.691,1198 3.434,1199 3.467,1200 3.368,1201 3.278,1202 4.761,1203 3.295,1204 2.994,1205 3.063,1206 2.887,1207 2.814,1208 4.093,1209 2.821,1210 2.737,1211 2.807,1212 2.599,1213 2.571,1214 3.832,1215 2.566,1216 2.6,1217 2.613,1218 2.523,1219 2.406,1220 3.588,1221 2.44,1222 2.396,1223 2.509,1224 2.208,1225 2.164,1226 3.471,1227 2.154,1228 2.15,1229 2.279,1230 1.976,1231 1.782,1232 3.011,1233 1.823,1234 0.251,1235 0.203,1236 0.374,1237 0.232,1238 0.177,1239 4.526,1240 0.229,1241 3.654,1242 0.059,1243 6.726,1244 0.608,1245 4.176,1246 0.175,1247 3.184,1248 4.117,1249 1.058,1250 10.951,1251 3.158,1252 1.895,1253 1.873,1254 1.994,1255 1.964,1256 1.111,1257 1.975,1258 1.614,1259 1.584,1260 1.717,1261 1.771,1262 0.787,1263 1.754,1264 1.375,1265 1.292,1266 1.553,1267 1.683,1268 0.492,1269 1.651,1270 1.173,1271 1.127,1272 1.3,1273 1.439,1274 0.271,1275 1.399,1276 0.929,1277 0.875,1278 1.116,1279 1.106,1280 0.192,1281 1.116,1282 0.779,1283 0.723,1284 1.058,1285 0.977,1286 0.065,1287 1.01,1288 0.342,1289 0.272,1290 0.706,1291 0.625,1293 0.652,1296 0.356,1297 0.342,1299 0.346,1300 3.611,1302 4.92,1303 3.045,1304 6.418,1305 5.352,1306 8.007,1307 7.402,1308 9.646,1317 2.815,1326 17.359,1327 39.793,1328 86.445,1329 106.096,1330 114.096,1331 116.096,1332 116.096,1333 17.584,1334 6.244,1335 61.54,1336 61.54,1337 16,1338 12.059,1339 3.807,1340 3.087,1341 21.722,1342 37,1343 32,1344 0.295,1345 107.586,1346 180.59,1347 254.269,1348 3476,1350 10.958,1351 0.685,1352 0.525,1353 10.958,1354 8.397,1355 7.843,1356 0.436,1357 0.275,1358 4.891,1359 7.573,1360 4.812,1361 3.992,1362 7.843,1363 4.957,1364 6.971,1365 0.279,1366 0.142,1367 6.971,1368 3.552,1369 6.003,1370 0.177,1371 0.074,1372 6.003,1373 2.522,1374 5.205,1375 0.113,1376 0.039,1377 5.205,1378 1.781,1379 3.8,1380 0.075,1381 0.021,1382 3.8,1383 1.064,1384 0.437,1385 49,1386 0.284,1387 15.911,1388 0.885,1389 86,1390 256.046,1391 93.432,1392 252.282,1393 348.24,1394 236,1395 102,1396 260.045,1397 109.35,1398 264.999,1399 386.72,1400 250,1401 4.756}
{0 CHEMBL265515,1 1.468,2 5.706,3 3.137,4 9.838,5 67.093,6 7.734,7 0.789,8 3.489,9 3.595,10 3.107,11 3.083,12 4.653,13 3.071,14 3.957,15 4.1,16 3.452,17 3.445,18 5.034,19 3.425,20 4.097,21 4.257,22 3.546,23 3.547,24 5.189,25 3.513,26 4.161,27 4.334,28 3.479,29 3.542,30 5.239,31 3.489,32 4.161,33 4.377,34 3.208,35 3.424,36 5.161,37 3.327,38 4.021,39 4.251,40 2.847,41 3.2,42 5.001,43 3.062,44 3.747,45 4.026,46 2.031,47 2.808,48 4.6,49 2.563,50 3.378,51 3.748,52 0.865,53 2.2,54 3.951,55 1.802,56 0.013,57 0.403,58 5.368,59 2.491,60 6.342,61 3.089,62 0.082,63 0.633,64 9.767,65 4.033,66 10.72,67 4.977,68 0.137,69 0.746,70 11.372,71 4.669,72 12.824,73 6.038,74 0.124,75 0.791,76 12.317,77 4.854,78 13.298,79 6.319,80 0.132,81 0.755,82 13.649,83 5.183,84 17.758,85 6.792,86 0.128,87 0.637,88 12.271,89 4.66,90 18.789,91 6.115,92 0.108,93 0.458,94 10.166,95 3.956,96 17.923,97 5.433,98 0.052,99 0.303,100 8.005,101 3.059,102 13.533,103 4.642,104 9,105 27,106 0.277,107 0.651,108 0.807,109 0.859,110 0.872,111 0.872,112 2.912,113 0.854,114 -2.7,115 -2.72,116 -2.64,120 48.3,125 1,135 1,136 1,143 4,144 2,145 1,146 1,147 1,153 2,174 6,177 2,182 3,185 5,188 1,189 3,192 1,194 3,197 5,201 2,204 1,206 2,209 3,214 5,222 3,227 4,235 4,247 2,274 272,275 11.947,276 11.947,277 11.947,278 11.947,279 11.947,280 10.22,281 4.313,282 6.937,283 12.223,284 9.258,285 9.258,286 9.258,287 9.258,288 9.258,289 6.503,290 4.651,291 3.088,292 9.622,293 3.39,294 1.405,295 0.578,296 0.302,297 0.233,298 0.233,299 3.589,306 1,307 1,308 208,309 2.236,312 20.022,313 59.904,316 84.077,320 0.817,321 9.948,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 36,333 97,334 4.803,335 3.376,336 7.021,337 4.303,338 3.326,339 4.906,340 0.86,341 12.05,342 3.248,343 4.018,344 2.654,345 5.981,346 3.536,347 2.561,348 3.7,350 8.365,351 2.497,352 3.707,353 2.515,354 5.666,355 3.271,356 2.328,357 3.159,359 7.429,360 2.191,361 3.138,362 1.737,363 4.713,364 2.632,365 1.668,366 2.425,368 4.664,369 1.603,370 2.999,371 1.56,372 4.478,373 2.493,374 1.524,375 2.223,377 4.183,378 1.473,379 2.751,380 1.26,381 3.608,382 2.233,383 1.251,384 1.856,386 2.877,387 1.226,388 2.364,389 1.117,390 3.352,391 1.704,392 0.774,393 1.102,395 1.462,396 0.714,397 1.967,398 0.68,399 3.075,400 1.522,401 0.596,402 0.783,404 1.25,405 0.549,406 1.644,407 0.323,408 2.64,409 1.119,410 0.186,411 0.268,413 0.282,414 0.173,415 0.974,416 -0.205,417 2.324,418 0.493,419 -0.436,420 -0.609,422 -0.746,423 -0.401,424 0.803,425 -0.685,426 2.236,427 0.282,428 -0.692,429 -1.035,431 -1.82,432 -0.671,433 0.579,434 -0.859,435 2.151,436 0.082,437 -0.906,438 -1.331,440 -2.322,441 -0.892,442 0.318,443 -1.07,444 2,445 -0.199,446 -1.17,447 -1.67,449 -3.388,450 -1.127,451 -0.16,452 -1.23,453 1.532,454 -0.509,455 -1.441,456 -1.832,458 -3.732,459 -1.318,460 -0.373,461 -1.659,462 1.108,463 -0.847,464 -1.766,465 -2.288,467 -4.644,468 -1.649,469 8.133,470 0.478,471 0.325,472 0.019,473 25,474 1.471,475 14,476 0.824,477 11,478 0.647,479 9.514,480 0.56,481 17.067,482 0.589,483 15.668,484 0.922,485 5.208,486 0.306,487 3.139,488 0.185,489 0.123,491 0.369,496 0.912,497 1.142,498 0.739,499 0.961,500 1.003,501 0.847,502 1.32,503 1.041,504 0.805,505 0.812,506 1.076,507 0.76,508 0.863,509 1.023,510 0.808,511 0.911,512 0.67,513 0.863,514 0.999,515 1.165,516 1.04,517 1.103,518 0.928,519 1.07,520 1.252,521 0.99,522 1.165,523 1.052,524 1.147,525 1.083,526 1.336,527 1.063,528 1.332,529 1.189,530 1.107,531 1.249,532 1.019,533 0.952,534 1.348,535 1.19,536 1.418,537 1.304,538 0.115,539 0.814,540 0.867,541 1.017,542 0.988,543 1.042,544 2.5,546 2,547 1.542,548 1.227,549 0.549,550 0.181,551 0.069,554 2045,555 5269,556 2.127,557 41.4,559 10,561 1,562 1,567 1.58,568 2,569 2.59,570 -0.314,572 1,573 1,574 1,575 42.559,576 1.468,577 3.453,578 4.28,579 4.556,580 4.625,581 4.625,582 1.904,583 3.97,584 4.059,585 2.647,586 359.979,587 6.914,588 3173.44,590 1,592 1,593 140.881,594 1.379,595 4.023,596 0.132,598 0.074,599 0.053,600 0.047,601 0.029,602 0.015,603 0.017,606 0.367,607 1,608 1,609 0.967,610 67.473,611 -0.037,612 -0.095,613 0.057,614 -0.033,615 -0.161,616 0.017,617 -0.147,618 -0.02,619 0.079,620 0.125,621 -0.159,622 0.126,623 0.149,624 0.017,625 0.081,626 0.016,627 0.184,628 0.031,629 0.021,630 -0.121,631 -0.14,632 -0.188,633 -0.018,634 -0.181,635 -0.175,636 -0.01,637 -0.193,638 -0.102,639 -0.111,640 -0.136,641 -0.212,642 -0.125,643 -0.332,644 -0.225,645 -0.054,646 -0.281,647 -0.151,648 -0.104,649 -0.297,650 -0.17,651 -0.311,652 -0.243,653 0.233,654 -0.046,655 0.289,656 0.068,657 0.014,658 0.163,659 0.886,660 1.877,661 0.765,662 9.059,663 0.998,664 1.113,665 1.474,666 2.173,667 0.699,668 2.996,669 3.332,670 3.714,671 4.06,672 4.331,673 4.431,674 4.489,675 4.511,676 4.344,677 4.174,678 3.745,679 0.669,680 224.28,681 2.996,682 4.533,683 5.425,684 6.337,685 7.255,686 8.178,687 9.103,688 10.03,689 10.956,690 11.884,691 6.9,699 1,701 1,708 4,709 5,710 1,711 1,714 2,716 15,735 1,738 29,739 16,740 1,741 19,743 31,744 14,745 11,746 2,747 4,748 2,752 3,753 6,768 13,769 1,772 1,773 1,780 1,786 1,789 12,790 2,791 1,792 3,797 2,803 0.333,804 1,816 1,818 1,822 1,823 2,826 2,843 1,845 1,855 1,859 1,862 17,872 1,886 3.4,891 1,893 8.5,894 5.617,895 3.889,896 1.596,898 3.368,899 1.509,900 1.036,901 2.286,902 9.985,903 3.35,904 4.047,905 4.826,906 5.577,907 6.229,908 6.698,909 7.174,910 7.609,911 7.78,912 8.014,913 0.75,914 29,915 6.218,917 2.61,918 7.618,919 11.919,921 9.726,924 2.118,925 36,926 0.002,929 129.482,930 100.513,931 33.571,933 11,936 100.513,937 140.482,938 33.571,939 10.883,940 15.767,941 47.381,942 28.557,943 49.979,944 4.288,945 117.711,947 129.482,948 134.084,949 11,952 129.482,953 11,956 28.59,957 79.233,958 26.262,960 129.482,961 44.571,962 100.513,965 129.482,966 17.434,967 67.312,968 16.786,969 43.552,970 129.482,971 44.571,972 100.513,973 0.57,974 0.37,975 0.223,976 0.129,977 15,978 6,979 0.065,980 2,981 2,982 1.308,983 2.865,984 128.3,985 0.308,986 13,987 69.487,993 10.209,994 3.807,995 1.406,996 4.26,997 27.785,998 9.874,999 4.317,1000 3.358,1003 1.625,1005 16.786,1006 274.566,1007 27.5,1008 3.783,1015 1.747,1020 28.949,1021 32.282,1022 0.302,1023 0.711,1024 0.881,1025 0.938,1026 0.952,1027 0.952,1028 4.562,1029 0.596,1030 5.416,1031 1.462,1032 4.007,1033 4.732,1034 0.908,1035 6.308,1036 3.938,1037 5.807,1038 0.186,1039 7.018,1040 1.25,1041 3.611,1042 4.691,1044 7.383,1045 3.526,1046 7.149,1047 -0.436,1048 8.727,1049 0.282,1050 5.659,1051 7.155,1052 0.739,1053 10.554,1054 5.538,1055 8.542,1056 -0.692,1057 10.5,1058 -0.746,1059 6.155,1060 8.027,1062 12.492,1063 6.016,1064 9.973,1065 -0.906,1066 12.314,1067 -1.82,1068 7.65,1069 9.932,1070 0.593,1071 15.191,1072 7.485,1073 11.434,1074 -1.17,1075 14.157,1076 -2.322,1077 8.547,1078 11.214,1080 17.468,1081 8.364,1082 12.917,1083 -1.441,1084 16.02,1085 -3.388,1086 9.84,1087 12.912,1088 0.469,1089 20.021,1090 9.635,1091 3.326,1092 -1.766,1093 17.898,1094 -3.732,1095 10.913,1096 14.374,1098 22.429,1099 10.686,1100 2.561,1101 12.05,1102 19.789,1103 -4.644,1104 12.137,1105 15.997,1106 0.366,1107 24.937,1108 11.889,1109 2.328,1110 8.365,1111 21.69,1112 4.906,1113 13.283,1114 17.535,1116 27.395,1117 13.013,1118 1.668,1119 7.429,1120 23.598,1121 3.7,1122 14.486,1123 19.133,1124 0.283,1125 29.889,1126 14.194,1127 1.524,1128 4.664,1129 25.513,1130 3.159,1131 15.663,1132 20.701,1134 32.366,1135 15.348,1136 1.251,1137 4.183,1138 27.434,1139 2.425,1140 16.861,1141 22.292,1142 0.217,1143 34.856,1144 16.523,1145 0.774,1146 2.877,1147 29.359,1148 2.223,1149 18.051,1150 23.872,1152 37.34,1153 17.69,1154 2059,1155 3377,1156 12.83,1157 20.273,1158 28.728,1159 28.815,1160 30.314,1161 28.387,1162 28.432,1163 40.843,1164 1.72,1165 85.125,1166 27.347,1167 5.366,1168 5.376,1169 6.701,1170 5.341,1171 5.326,1172 7.906,1173 1.72,1174 19.386,1175 5.248,1176 6.771,1177 1.512,1178 1.517,1179 1.595,1180 1.494,1181 1.496,1182 2.15,1183 0.091,1184 4.48,1185 1.439,1186 4.214,1187 4.241,1188 4.189,1189 4.131,1190 5.118,1191 4.142,1192 3.701,1193 3.738,1194 3.638,1195 3.607,1196 4.751,1197 3.61,1198 3.399,1199 3.444,1200 3.28,1201 3.258,1202 4.649,1203 3.253,1204 3.251,1205 3.322,1206 3.125,1207 3.033,1208 4.354,1209 3.05,1210 3.07,1211 3.162,1212 2.871,1213 2.836,1214 4.143,1215 2.827,1216 2.892,1217 2.954,1218 2.775,1219 2.765,1220 3.738,1221 2.759,1222 2.565,1223 2.63,1224 2.42,1225 2.436,1226 3.368,1227 2.426,1228 2.221,1229 2.29,1230 2.101,1231 2.051,1232 3.045,1233 2.057,1234 0.253,1235 0.178,1236 0.37,1237 0.226,1238 0.175,1239 4.803,1240 0.258,1241 3.376,1242 0.045,1243 7.021,1244 0.634,1245 4.303,1246 0.171,1247 3.326,1248 4.906,1249 0.86,1250 12.05,1251 3.248,1252 1.972,1253 1.957,1254 2.046,1255 2.042,1256 1.199,1257 2.041,1258 1.853,1259 1.817,1260 1.937,1261 2.001,1262 1.007,1263 1.987,1264 1.383,1265 1.336,1266 1.631,1267 1.586,1268 0.585,1269 1.601,1270 1.193,1271 1.119,1272 1.525,1273 1.464,1274 0.449,1275 1.486,1276 1.068,1277 0.988,1278 1.299,1279 1.313,1280 0.331,1281 1.322,1282 0.901,1283 0.844,1284 1.124,1285 1.064,1286 0.176,1287 1.086,1288 0.694,1289 0.631,1290 0.957,1291 0.876,1292 0.037,1293 0.909,1294 0.339,1295 0.267,1296 0.649,1297 0.597,1299 0.611,1300 3.664,1302 4.99,1303 2.398,1304 6.55,1305 4.844,1306 8.216,1307 7.081,1308 9.937,1310 1.659,1318 5.377,1326 19.392,1327 42.559,1328 100.127,1329 124.127,1330 132.127,1331 134.127,1332 134.127,1333 16.75,1334 6.617,1335 37.91,1336 37.91,1337 17,1338 12.388,1339 4.087,1340 3.248,1341 23.421,1342 38,1343 37,1344 0.329,1345 119.976,1346 193.29,1347 284.502,1348 5273,1350 11.828,1351 0.696,1352 0.56,1353 11.828,1354 9.527,1355 8.347,1356 0.439,1357 0.285,1358 5.333,1359 8.069,1360 5.174,1361 4.329,1362 8.347,1363 5.407,1364 7.099,1365 0.263,1366 0.142,1367 7.099,1368 3.837,1369 6.638,1370 0.166,1371 0.074,1372 6.638,1373 2.943,1374 5.884,1375 0.103,1376 0.038,1377 5.884,1378 2.157,1379 4.97,1380 0.066,1381 0.02,1382 4.97,1383 1.495,1384 0.472,1385 52.059,1386 0.279,1387 16.38,1388 1.056,1389 92,1390 249.714,1391 98.653,1392 245.013,1393 348.33,1394 232,1395 113,1396 267.264,1397 120.569,1398 274.286,1399 405.34,1400 258,1401 5.036}
{0 CHEMBL267099,1 1.791,2 7.105,3 -1.242,4 1.543,5 65.404,6 8.069,7 0.476,8 3.672,9 3.778,10 3.269,11 3.03,12 4.902,13 3.09,14 4.202,15 4.336,16 3.684,17 3.453,18 5.392,19 3.499,20 4.485,21 4.65,22 3.793,23 3.539,24 5.849,25 3.57,26 4.509,27 4.709,28 3.645,29 3.516,30 5.791,31 3.512,32 4.422,33 4.648,34 3.417,35 3.396,36 5.665,37 3.353,38 4.207,39 4.431,40 3.261,41 3.194,42 5.446,43 3.16,44 4.026,45 4.253,46 3.014,47 2.94,48 5.36,49 2.899,50 3.736,51 4.002,52 2.433,53 2.513,54 5.037,55 2.418,56 0.228,57 0.497,58 6.724,59 2.395,60 31.501,61 3.125,62 0.486,63 0.766,64 12.628,65 4.267,66 52.978,67 5.441,68 0.962,69 0.848,70 19.274,71 4.897,72 97.392,73 7.219,74 0.892,75 0.822,76 20.671,77 5.204,78 91.681,79 7.473,80 0.79,81 0.706,82 19.876,83 4.943,84 84.144,85 7.516,86 0.58,87 0.568,88 15.792,89 4.111,90 58.395,91 6.227,92 0.51,93 0.451,94 13.224,95 3.091,96 58.759,97 4.94,98 0.411,99 0.295,100 10.615,101 2.03,102 53.664,103 3.595,104 18,105 31,106 0.337,107 0.728,108 0.86,109 0.914,110 0.925,111 0.925,112 3.012,113 0.832,114 -1.1,115 -1.2,116 -1.28,120 33.3,126 1,128 3,129 1,143 1,144 1,148 1,149 1,152 1,162 1,164 1,165 1,166 1,174 1,176 3,177 4,179 1,180 1,182 1,187 1,189 2,192 4,193 1,194 1,199 1,200 2,201 2,203 2,204 3,205 1,217 2,218 1,219 2,226 1,229 1,230 2,232 2,243 2,244 1,245 2,246 1,255 1,256 1,259 1,267 1,268 1,270 1,274 383,275 12.784,276 12.784,277 12.784,278 12.784,279 12.784,280 11.607,281 12.346,282 7.184,283 13.214,284 10.228,285 10.228,286 10.228,287 10.228,288 10.228,289 8.472,290 15.015,291 3.247,292 11.03,293 3.253,294 1.168,295 0.47,296 0.182,297 0.121,298 0.121,299 3.682,307 1,308 288,309 2.236,312 79.738,313 44.396,316 66.871,320 0.975,321 32.867,324 1,325 1,326 1,327 1,328 0.5,329 1,330 1,331 0.93,332 44,333 135,334 4.641,335 3.585,336 6.923,337 4.227,338 3.297,339 4.581,340 1.041,341 11.607,342 3.069,343 4.141,344 3.129,345 6.528,346 3.947,347 3,348 3.324,350 10.105,351 2.827,352 3.661,353 2.598,354 5.889,355 3.317,356 2.389,357 2.919,359 7.905,360 2.209,361 3.057,362 2.248,363 5.228,364 2.824,365 1.898,366 2.324,368 5.801,369 1.748,370 3.026,371 1.969,372 4.776,373 2.487,374 1.589,375 2.107,377 4.664,378 1.439,379 2.724,380 1.549,381 4.141,382 2.466,383 1.542,384 1.753,386 3.671,387 1.401,388 2.412,389 1.284,390 4.068,391 1.965,392 1.04,393 1.385,395 2.924,396 0.957,397 2.1,398 1.209,399 3.305,400 1.693,401 0.766,402 0.995,404 1.823,405 0.706,406 1.55,407 0.878,408 2.974,409 1.384,410 0.54,411 0.545,413 0.902,414 0.452,415 1.079,416 0.535,417 2.622,418 0.723,419 -0.128,420 -0.136,422 -0.248,423 -0.107,424 0.885,425 -0.161,426 2.367,427 0.553,428 -0.337,429 -0.424,431 -0.739,432 -0.302,433 0.551,434 -0.483,435 2.161,436 0.1,437 -0.808,438 -0.943,440 -2.079,441 -0.728,442 0.084,443 -0.797,444 2,445 -0.185,446 -1.083,447 -1.261,449 -2.814,450 -0.963,451 -0.034,452 -1.088,453 1.881,454 -0.394,455 -1.318,456 -1.453,458 -3.377,459 -1.212,460 -0.141,461 -1.208,462 1.652,463 -0.478,464 -1.376,465 -1.723,467 -3.615,468 -1.236,469 8.433,470 0.444,471 0.542,472 0.029,473 22.25,474 1.171,475 8.5,476 0.447,477 13.75,478 0.724,479 14.374,480 0.757,481 22.167,482 0.672,483 16.037,484 0.844,485 4.53,486 0.238,487 4.6,488 0.242,489 0.166,491 0.462,496 1.112,497 1.531,498 0.802,499 1.134,500 1.145,501 0.901,502 1.077,503 1.119,504 0.896,505 1.072,506 0.973,507 0.952,508 0.97,509 1.278,510 0.932,511 1.082,512 0.876,513 1.013,514 1.108,515 0.877,516 1.101,517 0.969,518 1.023,519 1.026,520 0.968,521 0.887,522 1.039,523 0.974,524 0.969,525 1.019,526 0.895,527 0.944,528 0.942,529 1.052,530 0.946,531 1.022,532 0.947,533 1.102,534 1.063,535 1.164,536 0.996,537 1.16,538 0.984,539 0.931,540 1.204,541 1.044,542 1.163,543 1.163,544 3.5,546 3.111,547 2.174,548 1.193,549 0.556,550 0.406,551 0.251,552 0.078,553 0.016,554 2873,555 10025,556 2.05,557 42.4,559 6,560 2,561 1,562 5,567 1.608,568 1.869,569 2.862,570 3.047,575 59.108,576 1.791,577 3.877,578 4.574,579 4.863,580 4.923,581 4.923,582 2.234,583 3.827,584 4.222,585 2.932,586 501.339,587 7.214,588 4739.69,593 166.465,594 1.529,595 4.153,596 0.167,598 0.1,599 0.068,600 0.044,601 0.026,602 0.023,603 0.019,604 0.013,605 0.008,606 0.468,607 0.5,608 1,609 0.92,610 80.143,611 -0.265,612 -0.216,613 -0.026,614 0.037,615 -0.272,616 0.08,617 -0.148,618 0.1,619 -0.057,620 0.027,621 -0.172,622 0.008,623 0.113,624 -0.263,625 0.015,626 -0.077,627 0.1,628 -0.064,629 -0.083,630 0.109,631 -0.134,632 -0.015,633 -0.059,634 -0.083,635 -0.025,636 0.028,637 -0.049,638 -0.008,639 0.005,640 -0.026,641 0.022,642 -0.024,643 0.042,644 -0.069,645 -0.007,646 -0.016,647 0.009,648 -0.201,649 -0.065,650 -0.231,651 0.035,652 -0.187,653 -0.042,654 -0.115,655 -0.152,656 -0.207,657 -0.039,658 -0.212,659 2.482,660 3.978,661 0.737,662 11.235,663 1.034,664 1.149,665 -0.127,666 0.016,667 0.626,668 3.091,669 3.466,670 3.829,671 4.111,672 4.263,673 4.369,674 4.454,675 4.533,676 4.454,677 4.304,678 4.34,679 0.624,680 266.29,681 3.091,682 4.654,683 5.549,684 6.46,685 7.372,686 8.289,687 9.206,688 10.126,689 11.045,690 11.965,691 12.1,695 1,699 1,701 2,708 2,709 3,710 2,714 1,715 1,716 10,728 1,738 33,739 10,741 21,743 35,744 11,745 6,752 3,753 4,759 1,763 3,766 3,768 6,769 5,786 1,789 14,790 7,791 5,792 8,797 4,803 0.667,804 4,805 1,806 2,810 1,817 1,818 1,822 2,823 1,826 1,853 3,854 1,855 2,862 19,863 1,868 3,869 1,872 1,874 4,886 12.1,887 3,890 1,893 10.167,894 5.283,895 4.194,896 1.664,898 2.082,899 1.312,900 0.859,901 3.062,902 8.762,903 3.296,904 3.917,905 4.563,906 5.169,907 5.621,908 5.972,909 6.332,910 6.677,911 6.592,912 6.661,913 0.8,914 32,915 7.079,917 3.246,918 8.202,919 12.847,921 10.929,924 2.702,925 51.333,929 105.94,930 33.758,931 68.367,933 139.05,936 33.758,937 244.99,938 68.367,941 179.471,942 58.057,943 13.091,944 25.87,945 70.627,947 105.94,948 102.126,949 139.05,952 105.94,954 139.05,956 12.233,957 56.322,958 33.571,960 105.94,961 207.417,962 33.758,965 105.94,966 6.616,967 29.041,969 205.518,970 105.94,971 207.417,972 33.758,973 0.594,974 0.381,975 0.207,976 0.103,977 17,978 8,979 0.057,980 2,981 1,982 1.143,983 3.017,984 148.249,985 0.143,986 14,987 80.711,993 12.622,994 4.609,995 1.861,996 1.141,997 205.518,998 4.672,999 7.967,1003 0.329,1004 1.566,1005 160.947,1006 347.116,1007 26,1020 34.134,1021 37.907,1022 0.355,1023 0.769,1024 0.907,1025 0.964,1026 0.976,1027 0.976,1028 4.57,1029 0.766,1030 5.572,1031 2.924,1032 4.143,1033 4.6,1034 1.153,1035 6.472,1036 3.994,1037 5.783,1038 0.54,1039 7.197,1040 1.823,1041 3.892,1042 4.527,1044 7.548,1045 3.684,1046 7.113,1047 -0.128,1048 8.922,1049 0.902,1050 5.826,1051 6.847,1052 1.208,1053 10.697,1054 5.545,1055 8.483,1056 -0.337,1057 10.704,1058 -0.248,1059 6.415,1060 7.667,1062 12.584,1063 6.07,1064 9.89,1065 -0.808,1066 12.52,1067 -0.739,1068 7.843,1069 9.488,1070 1.265,1071 15.261,1072 7.432,1073 11.323,1074 -1.083,1075 14.36,1076 -2.079,1077 8.779,1078 10.704,1080 17.462,1081 8.3,1082 12.775,1083 -1.318,1084 16.217,1085 -2.814,1086 10.034,1087 12.34,1088 1.324,1089 19.981,1090 9.489,1091 3.297,1092 -1.376,1093 18.086,1094 -3.377,1095 11.11,1096 13.731,1098 22.313,1099 10.495,1100 3,1101 11.607,1102 19.964,1103 -3.615,1104 12.306,1105 15.295,1106 1.383,1107 24.776,1108 11.625,1109 2.389,1110 10.105,1111 21.85,1112 4.581,1113 13.439,1114 16.761,1116 27.164,1117 12.686,1118 1.898,1119 7.905,1120 23.742,1121 3.324,1122 14.618,1123 18.299,1124 1.444,1125 29.61,1126 13.796,1127 1.589,1128 5.801,1129 25.639,1130 2.919,1131 15.775,1132 19.796,1134 32.024,1135 14.881,1136 1.542,1137 4.664,1138 27.54,1139 2.324,1140 16.949,1141 21.324,1142 1.506,1143 34.464,1144 15.986,1145 1.04,1146 3.671,1147 29.444,1148 2.107,1149 18.117,1150 22.835,1152 36.893,1153 17.082,1154 2886,1155 5430,1156 13.641,1157 20.648,1158 32.339,1159 33.112,1160 34.524,1161 32.159,1162 32.121,1163 39.866,1164 2.082,1165 98.808,1166 29.616,1167 5.547,1168 5.585,1169 6.452,1170 5.326,1171 5.297,1172 7.581,1173 2.082,1174 19.313,1175 4.975,1176 10.175,1177 1.54,1178 1.577,1179 1.644,1180 1.531,1181 1.53,1182 1.898,1183 0.099,1184 4.705,1185 1.41,1186 4.122,1187 4.165,1188 4.093,1189 3.968,1190 6.498,1191 3.994,1192 3.801,1193 3.824,1194 3.723,1195 3.611,1196 6.453,1197 3.633,1198 3.37,1199 3.446,1200 3.284,1201 3.125,1202 6.399,1203 3.155,1204 3.207,1205 3.256,1206 3.055,1207 2.954,1208 5.237,1209 2.966,1210 3.011,1211 3.115,1212 2.898,1213 2.713,1214 4.815,1215 2.75,1216 2.798,1217 2.855,1218 2.629,1219 2.426,1220 4.524,1221 2.459,1222 2.625,1223 2.663,1224 2.445,1225 2.179,1226 4.301,1227 2.194,1228 2.384,1229 2.459,1230 2.236,1231 2.108,1232 3.703,1233 2.158,1234 0.221,1235 0.171,1236 0.33,1237 0.201,1238 0.157,1239 4.641,1240 0.218,1241 3.585,1242 0.05,1243 6.923,1244 0.553,1245 4.227,1246 0.146,1247 3.297,1248 4.581,1249 1.041,1250 11.607,1251 3.069,1252 1.817,1253 1.777,1254 1.868,1255 2.01,1256 1.162,1257 1.97,1258 1.626,1259 1.587,1260 1.795,1261 1.83,1262 0.987,1263 1.817,1264 1.544,1265 1.505,1266 1.714,1267 1.793,1268 0.882,1269 1.77,1270 1.21,1271 1.163,1272 1.436,1273 1.477,1274 0.535,1275 1.463,1276 0.89,1277 0.821,1278 1.176,1279 1.245,1280 0.221,1281 1.239,1282 0.815,1283 0.69,1284 1.139,1285 1.209,1286 0.002,1287 1.185,1288 0.66,1289 0.604,1290 0.945,1291 1.019,1293 0.991,1294 0.208,1295 0.149,1296 0.677,1297 0.81,1299 0.757,1300 3.761,1302 5.118,1303 3.045,1304 6.676,1305 5.476,1306 8.321,1307 7.627,1308 10.012,1313 5.726,1314 28.801,1315 -0.37,1318 5.439,1320 -3.939,1326 20.579,1327 59.108,1328 127.936,1329 150.955,1330 160.465,1331 162.465,1332 162.465,1333 36.458,1334 6.68,1335 126.65,1336 126.65,1337 16,1338 12.473,1339 3.459,1340 2.585,1341 27.651,1342 49,1343 49,1344 0.293,1345 125.559,1346 208.58,1347 298.123,1348 5729,1350 13.569,1351 0.714,1352 0.522,1353 13.569,1354 9.917,1355 9.13,1356 0.435,1357 0.277,1358 5.671,1359 8.554,1360 5.649,1361 4.569,1362 9.13,1363 5.827,1364 8.263,1365 0.267,1366 0.143,1367 8.263,1368 4.448,1369 7.759,1370 0.172,1371 0.074,1372 7.759,1373 3.331,1374 6.388,1375 0.106,1376 0.038,1377 6.388,1378 2.306,1379 4.705,1380 0.067,1381 0.02,1382 4.705,1383 1.378,1384 0.433,1385 59.194,1386 0.271,1387 18.383,1388 0.884,1389 104,1390 358.432,1391 121.347,1392 331.489,1393 443.29,1394 310,1395 128,1396 314.811,1397 147.62,1398 311.642,1399 469.55,1400 294,1401 5.515}
{0 CHEMBL290077,1 2.005,2 7.2,3 -1.451,4 2.107,5 64.059,6 8.915,7 0.455,8 3.669,9 3.772,10 3.333,11 2.97,12 4.981,13 3.073,14 4.201,15 4.333,16 3.777,17 3.389,18 5.573,19 3.478,20 4.461,21 4.618,22 3.868,23 3.469,24 5.92,25 3.546,26 4.492,27 4.684,28 3.772,29 3.436,30 5.932,31 3.489,32 4.393,33 4.602,34 3.576,35 3.298,36 5.845,37 3.337,38 4.177,39 4.388,40 3.4,41 3.093,42 5.622,43 3.134,44 3.99,45 4.192,46 3.24,47 2.842,48 5.618,49 2.905,50 3.709,51 3.936,52 2.718,53 2.436,54 5.378,55 2.462,56 0.346,57 0.536,58 5.379,59 2.074,60 48.264,61 2.471,62 0.699,63 0.793,64 10.804,65 3.739,66 81.39,67 4.501,68 1.159,69 0.84,70 16.988,71 4.533,72 127.639,73 6.133,74 1.164,75 0.819,76 19.16,77 4.494,78 132.382,79 6.34,80 1.082,81 0.752,82 18.246,83 4.063,84 131.222,85 5.767,86 0.882,87 0.553,88 14.732,89 3.331,90 100.013,91 4.801,92 0.744,93 0.485,94 11.711,95 2.493,96 102.146,97 3.61,98 0.639,99 0.317,100 9.569,101 1.772,102 98.062,103 2.499,104 27,105 33,106 0.379,107 0.73,108 0.854,109 0.911,110 0.922,111 0.922,112 3.06,113 0.792,114 -1.3,115 -1.39,116 -1.45,120 31.3,126 1,128 3,129 1,147 1,148 1,151 1,161 1,162 1,164 1,165 1,166 1,176 4,179 1,180 1,188 2,191 1,192 5,193 1,200 3,203 2,204 3,205 1,217 3,218 1,226 1,229 1,230 3,243 3,244 1,246 1,255 1,256 1,259 1,267 1,268 1,270 1,274 446,275 13.232,276 13.232,277 13.232,278 13.232,279 13.232,280 12.029,281 13.974,282 7.37,283 13.788,284 10.728,285 10.728,286 10.728,287 10.728,288 10.728,289 8.891,290 16.964,291 3.364,292 11.775,293 2.995,294 1.142,295 0.485,296 0.188,297 0.125,298 0.125,299 3.728,307 1,308 305,309 2.345,312 85.493,313 47.162,316 71.548,320 1.04,321 42.129,324 1,325 0.83,326 1,327 1,329 1,330 1,331 0.83,332 48,333 144,334 4.662,335 3.588,336 6.93,337 4.229,338 3.306,339 4.609,340 1.041,341 11.64,342 3.048,343 4.154,344 3.204,345 6.539,346 3.956,347 3.022,348 3.365,350 10.159,351 2.816,352 3.709,353 2.771,354 5.9,355 3.342,356 2.429,357 2.989,359 7.964,360 2.216,361 3.49,362 2.51,363 5.238,364 2.989,365 2.113,366 2.844,368 5.957,369 1.831,370 3.037,371 2.246,372 5.016,373 2.821,374 1.896,375 2.117,377 5.828,378 1.743,379 2.736,380 1.968,381 4.787,382 2.474,383 1.585,384 1.772,386 4.701,387 1.401,388 2.523,389 1.289,390 4.141,391 2.019,392 1.12,393 1.53,395 3.003,396 1.002,397 2.167,398 1.234,399 3.694,400 1.776,401 0.889,402 1.098,404 2.433,405 0.785,406 1.551,407 1.123,408 2.991,409 1.386,410 0.544,411 0.547,413 0.909,414 0.454,415 1.158,416 0.573,417 2.693,418 0.763,419 -0.083,420 -0.091,422 -0.17,423 -0.07,424 0.902,425 0.161,426 2.68,427 0.554,428 -0.318,429 -0.392,431 -0.762,432 -0.276,433 0.727,434 -0.182,435 2.269,436 0.326,437 -0.522,438 -0.623,440 -1.255,441 -0.437,442 0.202,443 -0.499,444 2.094,445 -0.085,446 -0.952,447 -1.008,449 -2.514,450 -0.818,451 0.081,452 -0.845,453 2,454 -0.264,455 -1.16,456 -1.338,458 -3.118,459 -1.021,460 -0.107,461 -1.103,462 1.682,463 -0.447,464 -1.341,465 -1.506,467 -3.632,468 -1.206,469 8.619,470 0.431,471 0.648,472 0.032,473 23.5,474 1.175,475 8.5,476 0.425,477 15,478 0.75,479 15.322,480 0.766,481 23.781,482 0.743,483 17.998,484 0.9,485 4.814,486 0.241,487 4.71,488 0.236,489 0.196,491 0.51,495 1,496 1.025,497 1.453,498 0.723,499 1.208,500 0.967,501 0.888,502 0.892,503 0.864,504 0.786,505 1.05,506 0.79,507 0.92,508 0.856,509 1.054,510 0.848,511 1.1,512 0.76,513 1.013,514 0.943,515 0.78,516 0.975,517 0.942,518 0.853,519 0.984,520 1.059,521 1.001,522 1.074,523 0.985,524 1.094,525 1.021,526 0.931,527 0.96,528 0.984,529 0.983,530 1.029,531 0.993,532 0.996,533 1.214,534 1.06,535 1.132,536 1.027,537 1.122,538 1.305,539 1.31,540 1.459,541 1.165,542 1.478,543 1.317,544 4.5,546 3.111,547 2.361,548 1.464,549 0.691,550 0.447,551 0.354,552 0.103,553 0.016,554 3238,555 13534,556 2.018,557 37.5,559 5,560 1,561 1,562 5,567 1.624,568 1.818,569 2.874,570 3.065,575 64.152,576 2.005,577 3.858,578 4.515,579 4.813,580 4.875,581 4.875,582 2.246,583 3.984,584 4.296,585 2.97,586 564.287,587 7.367,588 5547.54,593 160,594 1.539,595 4.214,596 0.205,598 0.094,599 0.069,600 0.049,601 0.029,602 0.022,603 0.022,604 0.013,605 0.005,606 0.508,607 0.5,608 1,609 0.932,610 86.064,611 -0.285,612 -0.307,613 -0.047,614 -0.025,615 -0.232,616 0.068,617 -0.065,618 0.208,619 -0.017,620 0.041,621 -0.063,622 0.017,623 0.069,624 -0.193,625 0.057,626 -0.091,627 0.048,628 -0.046,629 -0.012,630 0.076,631 -0.014,632 0.004,633 0.001,634 -0.02,635 -0.078,636 -0.045,637 -0.066,638 -0.029,639 -0.067,640 -0.034,641 0.036,642 -0.002,643 0.026,644 -0.024,645 -0.058,646 0.003,647 0.04,648 -0.2,649 -0.046,650 -0.214,651 0.073,652 -0.177,653 -0.113,654 -0.123,655 -0.361,656 -0.287,657 -0.064,658 -0.393,659 2.705,660 5.223,661 0.7,662 12.06,663 1.058,664 1.167,665 0.07,666 0.005,667 0.62,668 3.135,669 3.526,670 3.871,671 4.174,672 4.344,673 4.477,674 4.543,675 4.644,676 4.615,677 4.454,678 4.472,679 0.639,680 285.27,681 3.135,682 4.71,683 5.602,684 6.521,685 7.432,686 8.355,687 9.272,688 10.198,689 11.117,690 12.043,691 15.6,695 1,699 1,701 3,708 2,709 1,710 3,714 2,715 1,716 10,728 1,737 1,738 32,739 10,741 22,743 34,744 10,745 5,752 3,753 4,759 1,763 3,766 3,768 5,769 5,786 1,787 1,789 12,790 9,791 5,792 10,794 1,797 5,803 0.667,804 4,805 1,806 2,810 1,817 1,822 2,823 1,826 1,853 3,854 1,855 2,861 1,862 20,863 1,868 3,869 1,872 1,874 4,885 1,886 12.5,887 3,890 1,893 11,894 5.21,895 4.361,896 1.588,898 2.087,899 1.307,900 0.854,901 3.217,902 8.885,903 3.332,904 3.975,905 4.609,906 5.237,907 5.719,908 6.108,909 6.438,910 6.799,911 6.783,912 6.788,913 0.8,914 34,915 7.489,917 3.519,918 8.5,919 13.138,921 11.089,924 3,925 60,929 82.398,930 23.069,931 85.153,933 139.05,934 14.96,936 23.069,937 221.448,938 100.113,941 160.947,942 83.461,943 19.003,944 22.362,945 58.856,947 82.398,948 108.222,949 154.01,952 82.398,954 154.01,956 22.64,957 35.225,958 50.357,960 97.358,961 224.203,962 23.069,965 82.398,966 14.451,967 10.518,969 237.264,970 82.398,971 239.163,972 23.069,973 0.599,974 0.376,975 0.207,976 0.106,977 18,978 9,979 0.059,980 2,981 1,982 1.143,983 3.067,984 160.021,985 0.143,986 14,987 86.439,993 13.451,994 4.784,995 2.029,996 0.189,997 237.264,998 1.246,999 10.822,1003 -1.179,1004 1.236,1005 160.947,1006 344.63,1007 27,1020 33.865,1021 37.33,1022 0.401,1023 0.772,1024 0.903,1025 0.963,1026 0.975,1027 0.975,1028 4.62,1029 0.889,1030 5.638,1031 3.003,1032 4.205,1033 4.659,1034 1.153,1035 6.541,1036 4.022,1037 5.849,1038 0.544,1039 7.265,1040 2.433,1041 4.007,1042 4.663,1044 7.603,1045 3.752,1046 7.187,1047 -0.083,1048 8.988,1049 0.909,1050 5.894,1051 6.921,1052 1.208,1053 10.751,1054 5.556,1055 8.563,1056 -0.318,1057 10.764,1058 -0.17,1059 6.494,1060 7.765,1062 12.615,1063 6.084,1064 9.971,1065 -0.522,1066 12.575,1067 -0.762,1068 7.904,1069 9.559,1070 1.265,1071 15.299,1072 7.418,1073 11.403,1074 -0.952,1075 14.408,1076 -1.255,1077 8.84,1078 10.782,1080 17.49,1081 8.28,1082 12.854,1083 -1.16,1084 16.259,1085 -2.514,1086 10.088,1087 12.409,1088 1.324,1089 20.015,1090 9.453,1091 3.306,1092 -1.341,1093 18.122,1094 -3.118,1095 11.164,1096 13.804,1098 22.344,1099 10.452,1100 3.022,1101 11.64,1102 19.997,1103 -3.632,1104 12.358,1105 15.367,1106 1.383,1107 24.812,1108 11.57,1109 2.429,1110 10.159,1111 21.879,1112 4.609,1113 13.492,1114 16.838,1116 27.201,1117 12.625,1118 2.113,1119 7.964,1120 23.768,1121 3.365,1122 14.671,1123 18.378,1124 1.444,1125 29.649,1126 13.726,1127 1.896,1128 5.957,1129 25.663,1130 2.989,1131 15.829,1132 19.881,1134 32.066,1135 14.804,1136 1.585,1137 5.828,1138 27.563,1139 2.844,1140 17.006,1141 21.413,1142 1.506,1143 34.509,1144 15.901,1145 1.12,1146 4.701,1147 29.466,1148 2.117,1149 18.176,1150 22.93,1152 36.939,1153 16.99,1154 3270,1155 6746,1156 14.046,1157 19.83,1158 33.969,1159 35.005,1160 36.491,1161 33.865,1162 33.808,1163 41.742,1164 2.082,1165 105.186,1166 30.594,1167 5.568,1168 5.588,1169 6.452,1170 5.336,1171 5.306,1172 7.609,1173 2.082,1174 19.35,1175 4.943,1176 11.81,1177 1.544,1178 1.591,1179 1.659,1180 1.539,1181 1.537,1182 1.897,1183 0.095,1184 4.781,1185 1.391,1186 4.106,1187 4.157,1188 4.089,1189 3.902,1190 8.204,1191 3.943,1192 3.799,1193 3.823,1194 3.727,1195 3.602,1196 6.498,1197 3.627,1198 3.374,1199 3.447,1200 3.322,1201 3.101,1202 6.453,1203 3.141,1204 3.198,1205 3.248,1206 3.063,1207 2.904,1208 6.399,1209 2.934,1210 3.024,1211 3.126,1212 2.947,1213 2.679,1214 5.227,1215 2.737,1216 2.778,1217 2.829,1218 2.618,1219 2.39,1220 4.847,1221 2.429,1222 2.614,1223 2.648,1224 2.441,1225 2.132,1226 4.469,1227 2.166,1228 2.344,1229 2.419,1230 2.283,1231 2.093,1232 4.284,1233 2.147,1234 0.212,1235 0.163,1236 0.315,1237 0.192,1238 0.15,1239 4.662,1240 0.21,1241 3.588,1242 0.047,1243 6.93,1244 0.529,1245 4.229,1246 0.139,1247 3.306,1248 4.609,1249 1.041,1250 11.64,1251 3.048,1252 1.791,1253 1.747,1254 1.832,1255 2.009,1256 1.162,1257 1.958,1258 1.601,1259 1.565,1260 1.776,1261 1.823,1262 0.981,1263 1.808,1264 1.502,1265 1.456,1266 1.648,1267 1.783,1268 0.736,1269 1.745,1270 1.136,1271 1.078,1272 1.352,1273 1.455,1274 0.415,1275 1.423,1276 0.804,1277 0.75,1278 1.116,1279 1.231,1280 0.137,1281 1.205,1282 0.787,1283 0.658,1284 1.066,1285 1.181,1287 1.138,1288 0.637,1289 0.59,1290 0.751,1291 1.009,1293 0.932,1294 0.206,1295 0.147,1296 0.656,1297 0.811,1299 0.752,1300 3.807,1302 5.176,1303 3.045,1304 6.737,1305 5.476,1306 8.386,1307 7.627,1308 10.083,1312 13.223,1313 5.525,1314 28.678,1315 -0.465,1318 5.317,1320 -4.59,1326 20.457,1327 64.152,1328 123.471,1329 144.49,1330 154,1331 156,1332 156,1333 44.261,1334 6.798,1335 139.54,1336 139.54,1337 16,1338 12.549,1339 3.459,1340 2.585,1341 29.765,1342 53,1343 54,1344 0.29,1345 123.959,1346 208.35,1347 294.219,1348 6578,1349 3.1,1350 14.439,1351 0.722,1352 0.504,1353 13.569,1354 10.088,1355 9.524,1356 0.433,1357 0.264,1358 5.612,1359 8.789,1360 5.625,1361 4.531,1362 9.13,1363 5.806,1364 8.909,1365 0.27,1366 0.134,1367 8.263,1368 4.431,1369 8.01,1370 0.17,1371 0.068,1372 7.759,1373 3.212,1374 6.79,1375 0.106,1376 0.034,1377 6.388,1378 2.207,1379 4.966,1380 0.065,1381 0.017,1382 4.705,1383 1.307,1384 0.429,1385 62.786,1386 0.267,1387 19.22,1388 0.874,1389 110,1390 472.188,1391 134.008,1392 411.32,1393 539.28,1394 382,1395 135,1396 379.313,1397 160.139,1398 368.506,1399 556.71,1400 346,1401 5.262}
{0 CHEMBL309016,1 1.695,2 6.429,3 1.526,4 2.329,5 50.206,6 8.487,7 0.429,8 3.258,9 3.338,10 2.893,11 2.693,12 4.657,13 2.727,14 3.659,15 3.77,16 3.145,17 2.973,18 5.221,19 3.004,20 3.78,21 3.905,22 3.129,23 3.038,24 5.19,25 3.038,26 3.812,27 3.977,28 2.924,29 2.935,30 5.073,31 2.902,32 3.76,33 3.972,34 2.787,35 2.745,36 5.054,37 2.721,38 3.571,39 3.773,40 2.568,41 2.423,42 4.976,43 2.427,44 3.201,45 3.395,46 2.374,47 1.897,48 4.839,49 1.963,50 2.714,51 2.913,52 2.033,53 1.349,54 4.828,55 1.51,56 0.183,57 0.3,58 3.8,59 2.022,60 13.668,61 2.194,62 0.342,63 0.408,64 6.932,65 3.012,66 45.427,67 3.306,68 0.383,69 0.452,70 7.943,71 3.431,72 40.849,73 3.87,74 0.376,75 0.441,76 9.158,77 3.421,78 47.826,79 4.133,80 0.393,81 0.395,82 10.011,83 2.921,84 44.047,85 3.89,86 0.392,87 0.294,88 8.588,89 2.222,90 53.363,91 2.871,92 0.401,93 0.177,94 6.367,95 1.339,96 47.101,97 1.901,98 0.274,99 0.107,100 3.845,101 0.515,102 45.414,103 0.82,104 23,105 18,106 0.349,107 0.706,108 0.828,109 0.871,110 0.871,111 0.871,112 2.73,113 0.818,114 -2.7,115 -2.72,116 -2.64,120 39.1,125 1,136 1,138 1,143 3,144 1,145 2,167 2,174 4,176 1,177 2,182 1,185 4,189 5,192 1,194 2,197 2,201 6,206 1,214 5,219 1,226 1,227 2,239 2,243 1,255 2,274 184,275 9.077,276 9.077,277 9.077,278 9.077,279 9.077,280 7.819,281 8.448,282 5.44,283 9.338,284 6.821,285 6.821,286 6.821,287 6.821,288 6.821,289 4.902,290 6.645,291 2.503,292 7.143,293 2.829,294 1.092,295 0.5,296 0.294,297 0.294,298 0.294,299 3.342,306 1,307 1,308 172,309 2.739,313 48.032,320 1.143,321 21.265,324 1,325 0.83,326 0.83,327 0.6,329 1,330 1,331 0.75,332 32.5,333 90,334 4.254,335 3.673,336 6.069,337 3.828,338 2.868,339 3.914,340 2.612,341 8.758,342 2.753,343 3.909,344 3.126,345 5.239,346 3.301,347 2.333,348 3.463,349 0.86,350 6.559,351 2.247,352 3.525,353 2.313,354 4.604,355 3.021,356 2.05,357 2.859,359 5.022,360 1.985,361 2.884,362 1.982,363 4.205,364 2.463,365 1.531,366 2.022,368 3.836,369 1.419,370 2.432,371 1,372 3.041,373 1.649,374 0.668,375 1.08,377 1.454,378 0.652,379 1.722,380 0.977,381 2.844,382 1.391,383 0.501,384 0.597,386 0.837,387 0.442,388 1.134,389 0.938,390 2.274,391 0.761,392 -0.158,393 -0.196,395 -0.293,396 -0.143,397 1,398 0.325,399 2,400 0.154,401 -0.797,402 -0.994,404 -2,405 -0.746,406 0.586,407 -0.43,408 1.603,410 -1,411 -1.243,413 -2.043,414 -0.939,415 0.213,416 -0.66,417 1.248,418 -0.056,419 -1,420 -1.903,422 -2.649,423 -1,424 -0.109,425 -1.171,426 1,427 -0.497,428 -1.434,429 -2,431 -3.634,432 -1.344,433 -0.472,434 -1.285,435 0.767,436 -0.783,437 -1.66,438 -2.036,439 -0.612,440 -4.605,441 -1.467,442 -0.5,443 -1.806,444 0.631,445 -0.932,446 -1.902,447 -2.563,448 -0.86,449 -5.058,450 -1.859,451 -0.58,452 -2,453 0.476,454 -1,455 -2,456 -3,457 -2,458 -6.184,459 -2,469 6.233,470 0.445,471 0.37,472 0.026,473 20,474 1.429,475 11.5,476 0.821,477 8.5,478 0.607,479 6.421,480 0.459,481 15.967,482 0.694,483 12.94,484 0.924,485 4.363,486 0.312,487 2.268,488 0.162,489 0.241,491 0.305,496 0.621,497 1.067,498 0.688,499 1.044,500 0.677,501 0.937,502 0.843,503 0.959,504 0.777,505 0.961,506 0.484,507 0.867,508 0.842,509 1.116,510 0.98,511 1.174,512 0.756,513 1.143,514 0.97,515 1.273,516 1.128,517 1.288,518 0.849,519 1.284,520 0.973,521 1.075,522 0.991,523 1.037,524 0.785,525 1.018,526 1.205,527 1,528 1.111,529 1.006,530 1.401,531 1.022,532 0.859,533 0.803,534 0.793,535 0.741,536 1.369,537 0.75,538 0.832,539 0.411,540 0.745,541 0.401,542 0.673,543 0.422,544 3.5,546 1.556,547 0.688,548 0.733,549 0.319,550 0.203,551 0.181,554 1160,555 5528,556 1.842,557 39.1,559 7,560 1,562 1,567 1.506,568 1.68,569 2.752,570 -0.096,574 1,575 38.983,576 1.695,577 3.431,578 4.023,579 4.23,580 4.23,581 4.23,582 2.217,583 3.379,584 3.776,585 2.865,586 260.692,587 6.286,588 2074.36,590 1,593 104.042,594 1.557,595 3.7,596 0.25,598 0.086,599 0.04,600 0.056,601 0.029,602 0.025,603 0.03,606 0.518,607 0.67,608 1,609 1.733,610 53.64,611 0.102,612 0.136,613 0.016,614 0.05,615 -0.086,616 -0.008,617 -0.005,618 0.105,619 0.04,620 0.104,621 0.201,622 0.099,623 -0.024,624 -0.081,625 -0.151,626 -0.122,627 -0.041,628 -0.171,629 -0.154,630 -0.318,631 -0.223,632 -0.285,633 -0.136,634 -0.288,635 -0.128,636 -0.166,637 0.021,638 -0.11,639 -0.013,640 -0.009,641 -0.162,642 -0.147,643 -0.037,644 -0.132,645 -0.227,646 -0.061,647 0.427,648 -0.028,649 0.4,650 0.064,651 0.021,652 0.177,653 0.57,654 0.487,655 0.493,656 0.244,657 1.027,658 0.379,659 2.556,660 3.229,661 0.429,662 8.735,663 1.041,664 1.13,665 1.473,666 2.171,667 0.646,668 2.708,669 2.944,670 3.045,671 3.135,672 3.296,673 3.091,674 2.944,675 2.773,676 2.079,677 1.099,678 4.14,679 0.652,680 195.19,681 2.708,682 4.174,683 4.949,684 5.771,685 6.575,686 7.401,687 8.216,688 9.043,689 9.865,690 10.692,691 4.3,703 1,709 3,714 3,716 6,734 1,735 1,738 23,739 9,740 1,741 14,743 23,744 9,745 6,746 3,747 3,748 2,752 1,753 1,768 8,769 1,772 3,775 1,778 2,780 2,786 1,789 9,790 4,791 1,792 5,797 1,803 1,804 4,823 1,845 1,850 1,855 1,859 1,862 14,868 1,872 1,886 17.4,888 1,891 1,892 2,893 8.333,894 4.317,895 3.278,896 1.093,898 1.826,899 1.352,900 0.852,901 3.479,902 7.007,903 3.045,904 3.597,905 4.012,906 4.417,907 4.968,908 5.037,909 5.191,910 5.358,911 5.154,912 3.726,913 1,914 17,915 5.071,916 0.002,917 2.018,918 8.536,919 8.972,920 0.001,921 6.481,922 0.001,924 3.036,925 42.5,926 0.001,929 94.169,930 66.264,931 5.67,933 104.43,936 66.264,937 198.599,938 5.67,939 16.553,940 9.047,941 37.905,942 42.683,943 19.429,944 11.771,945 82.398,946 50.747,947 94.169,948 71.935,949 104.43,952 94.169,953 53.683,954 50.747,957 62.458,958 9.476,960 94.169,961 110.1,962 66.264,965 94.169,966 8.429,967 63.506,969 104.43,970 94.169,971 110.1,972 66.264,973 0.563,974 0.304,975 0.145,976 0.084,977 7,978 4,979 0.13,980 3,982 1,983 2.563,984 77.545,986 6,987 51.303,993 10.535,994 4.624,995 3.034,997 104.43,998 4.478,1003 0.887,1005 42.683,1006 270.533,1007 20,1010 -0.556,1013 20.064,1015 2.147,1020 23.945,1021 25.997,1022 0.375,1023 0.759,1024 0.889,1025 0.935,1026 0.935,1027 0.935,1028 4.212,1029 -0.797,1030 4.92,1031 -0.293,1032 3.611,1033 4.277,1034 2.616,1035 5.624,1036 3.529,1037 5.426,1038 -1,1039 6.428,1040 -2,1041 3.219,1042 4.182,1043 2.361,1044 6.389,1045 3.091,1046 6.724,1047 -1,1048 8.032,1049 -2.043,1050 5.106,1051 6.459,1052 4.172,1053 9.343,1054 4.954,1055 8.056,1056 -1.434,1057 9.688,1058 -2.649,1059 5.442,1060 7.085,1061 4.506,1062 10.867,1063 5.225,1064 9.411,1065 -1.66,1066 11.376,1067 -3.634,1068 6.855,1069 8.873,1070 5.95,1071 13.362,1072 6.63,1073 10.782,1074 -1.902,1075 13.088,1076 -4.605,1077 7.537,1078 9.823,1079 6.556,1080 15.222,1081 7.239,1082 12.164,1083 -2,1084 14.816,1085 -5.058,1086 8.748,1087 11.404,1088 7.795,1089 17.536,1090 8.443,1091 2.868,1093 16.557,1094 -6.184,1095 9.609,1096 12.523,1097 8.548,1098 19.557,1099 9.233,1100 2.333,1101 8.758,1102 18.309,1104 10.728,1105 14.001,1106 9.67,1107 21.792,1108 10.337,1109 2.05,1110 6.559,1111 20.07,1112 3.914,1113 11.681,1114 15.215,1115 10.509,1116 23.888,1117 11.227,1118 1.531,1119 5.022,1120 21.837,1121 3.463,1122 12.76,1123 16.638,1124 11.563,1125 26.088,1126 12.283,1127 0.668,1128 3.836,1129 23.61,1130 2.859,1131 13.76,1132 17.909,1133 12.452,1134 28.222,1135 13.227,1136 0.501,1137 1.454,1138 25.388,1139 2.022,1140 14.822,1141 19.302,1142 13.468,1143 30.406,1144 14.259,1145 -0.158,1146 0.837,1147 27.17,1148 1.08,1149 15.847,1150 20.606,1151 14.386,1152 32.557,1153 15.234,1154 1314,1155 2939,1156 8.553,1157 14.869,1158 20.31,1159 21.035,1160 21.146,1161 19.906,1162 19.901,1163 27.87,1164 6.945,1165 52.934,1166 18.997,1167 4.834,1168 5.673,1169 5.592,1170 4.828,1171 4.868,1172 6.914,1173 4.612,1174 14.942,1175 4.753,1176 8.519,1177 1.451,1178 1.502,1179 1.51,1180 1.422,1181 1.422,1182 1.991,1183 0.496,1184 3.781,1185 1.357,1186 3.96,1187 3.979,1188 3.916,1189 3.866,1190 7.816,1191 3.872,1192 3.722,1193 3.745,1194 3.696,1195 3.381,1196 6.999,1197 3.439,1198 3.258,1199 3.318,1200 3.109,1201 2.963,1202 6.47,1203 2.982,1204 3.063,1205 3.088,1206 2.953,1207 2.766,1208 4.784,1209 2.826,1210 2.764,1211 2.837,1212 2.565,1213 2.615,1214 4.421,1215 2.595,1216 2.623,1217 2.667,1218 2.467,1219 2.275,1220 3.985,1221 2.33,1222 2.073,1223 2.154,1224 1.814,1225 1.539,1226 3.514,1227 1.601,1228 1.616,1229 1.773,1230 1.331,1231 1.176,1232 3.126,1233 1.153,1234 0.304,1235 0.262,1236 0.433,1237 0.273,1238 0.205,1239 4.254,1240 0.28,1241 3.673,1242 0.187,1243 6.069,1244 0.626,1245 3.828,1246 0.197,1247 2.868,1248 3.914,1249 2.612,1250 8.758,1251 2.753,1252 1.908,1253 1.892,1254 2,1255 2.043,1256 1.093,1257 2.016,1258 1.509,1259 1.476,1260 1.64,1261 1.881,1262 0.604,1263 1.791,1264 1.19,1265 1.118,1266 1.551,1267 1.513,1268 0.539,1269 1.527,1270 0.906,1271 0.882,1272 1.107,1273 1.24,1274 0.157,1275 1.194,1276 0.782,1277 0.718,1278 0.993,1279 0.982,1281 1.016,1282 0.48,1283 0.436,1284 0.755,1285 0.892,1287 0.866,1290 0.492,1291 0.426,1293 0.451,1296 0.312,1297 0.107,1299 0.196,1300 3.367,1302 4.615,1304 6.052,1306 7.579,1308 9.156,1310 1.413,1314 9.229,1318 4.839,1326 14.988,1327 38.983,1328 78.923,1329 92.532,1330 97.287,1331 97.287,1332 97.287,1333 26.844,1334 5.182,1335 75.28,1336 75.28,1337 6,1338 11.268,1339 3.322,1340 2.807,1341 27.98,1342 34,1343 30,1344 0.428,1345 97.85,1346 173.96,1347 230.515,1348 783,1350 10.552,1351 0.754,1352 0.536,1353 10.552,1354 7.506,1355 6.63,1356 0.474,1357 0.273,1358 3.718,1359 6.15,1360 3.623,1361 3.058,1362 6.63,1363 3.819,1364 5.796,1365 0.322,1366 0.141,1367 5.796,1368 2.532,1369 4.148,1370 0.207,1371 0.08,1372 4.148,1373 1.592,1374 2.913,1375 0.132,1376 0.043,1377 2.913,1378 0.945,1379 2.335,1380 0.09,1381 0.023,1382 2.335,1383 0.6,1384 0.649,1385 43.41,1386 0.342,1387 14.333,1388 1.215,1389 64,1390 299.001,1391 74.826,1392 277.186,1393 349.81,1394 252,1395 70,1396 241.589,1397 79.915,1398 238.16,1399 331.7,1400 219,1401 5.087}
{0 CHEMBL405317,1 1.46,2 10.739,3 3.942,4 15.535,5 86.191,6 8.315,7 0.885,8 3.711,9 3.805,10 3.395,11 3.361,12 4.92,13 3.349,14 4.148,15 4.269,16 3.712,17 3.707,18 5.321,19 3.68,20 4.331,21 4.515,22 3.678,23 3.749,24 5.409,25 3.69,26 4.309,27 4.5,28 3.588,29 3.628,30 5.417,31 3.578,32 4.222,33 4.427,34 3.432,35 3.522,36 5.275,37 3.466,38 4.026,39 4.231,40 3.21,41 3.362,42 5.015,43 3.286,44 3.833,45 4.021,46 3.147,47 3.22,48 4.893,49 3.166,50 3.827,51 4.011,52 3.113,53 3.178,54 4.926,55 3.131,56 0.054,57 0.477,58 5.46,59 2.857,60 6.522,61 3.415,62 0.091,63 0.765,64 9.181,65 4.532,66 10.859,67 5.468,68 0.107,69 0.928,70 13.705,71 6.114,72 17.38,73 7.851,74 0.172,75 0.907,76 14.141,77 5.666,78 22.836,79 6.863,80 0.17,81 0.832,82 13.714,83 5.22,84 22.451,85 6.175,86 0.109,87 0.662,88 11.124,89 4.579,90 14.866,91 5.677,92 0.063,93 0.547,94 8.626,95 3.67,96 11.196,97 4.557,98 0.094,99 0.553,100 8.57,101 3.429,102 13.969,103 3.999,105 35,106 0.258,107 0.433,108 0.577,109 0.749,110 0.835,111 0.835,112 3.188,113 0.843,114 -5.79,115 -5.65,116 -5.26,120 52.8,143 12,144 3,146 1,147 1,150 1,162 1,167 1,174 15,176 2,177 4,185 17,188 2,189 8,197 14,200 1,201 9,209 10,214 8,222 9,227 6,235 7,240 7,247 6,252 7,260 5,264 5,271 4,274 704,275 16.206,276 16.206,277 16.206,278 16.206,279 16.206,280 13.576,282 9.845,283 16.357,284 12.88,285 12.88,286 12.88,287 12.88,288 12.88,289 9.086,291 4.707,292 13.134,293 3.71,294 2.719,295 1.904,296 0.931,297 0.444,298 0.444,299 3.894,305 1,306 1,307 1,308 551,309 1.732,312 63.02,313 229.678,320 1.837,321 11.636,323 1,324 0.75,325 0.83,326 1,327 0.4,329 1,330 1,331 0.71,332 48.5,333 247,334 4.386,335 3.011,336 6.296,337 3.982,338 3.011,339 4.079,341 9.589,342 2.938,343 4.217,344 2.845,345 6.141,346 3.831,347 2.845,348 3.848,350 9.048,351 2.794,352 3.971,353 2.61,354 5.972,355 3.591,356 2.61,357 3.504,359 8.477,360 2.555,361 3.5,362 2,363 4.704,364 2.98,365 2,366 3,368 5.178,369 1.961,370 3.259,371 1.796,372 4.45,373 2.779,374 1.796,375 2.593,377 4.481,378 1.762,379 2.911,380 1.45,381 4.061,382 2.44,383 1.45,384 2.094,386 3.458,387 1.435,388 2.633,389 1.151,390 3.505,391 2.142,392 1.151,393 1.696,395 2.691,396 1.14,397 2.5,398 1,399 3.446,400 2,401 1,402 1.5,404 2.338,405 1,406 2.5,407 1,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.5,416 1,417 3.262,418 1.959,419 1,420 1.5,422 2.136,423 0.956,424 2.368,425 0.876,426 3.247,427 1.841,428 0.876,429 1.304,431 2.136,432 0.843,433 2.158,434 0.662,435 3.247,436 1.617,437 0.662,438 0.989,440 1.628,441 0.631,442 1.047,443 -0.337,444 2.567,445 0.655,446 -0.337,447 -0.448,449 -0.809,450 -0.334,451 0.744,452 -0.676,453 2.28,454 0.293,455 -0.676,456 -0.918,458 -1.547,459 -0.654,460 0.591,461 -0.871,462 2.08,463 0.123,464 -0.871,465 -1.231,467 -1.961,468 -0.865,469 11.033,470 0.48,471 0.359,472 0.016,473 36.75,474 1.598,475 22,476 0.957,477 14.75,478 0.641,479 12.051,480 0.524,481 21.967,482 0.61,483 23.479,484 1.021,485 7.484,486 0.325,487 3.915,488 0.17,491 0.272,496 0.605,497 1.006,498 0.652,499 0.876,500 0.722,501 0.794,502 0.697,503 1.102,504 0.842,505 1.048,506 0.808,507 0.983,508 0.691,509 1.007,510 0.875,511 1.041,512 0.683,513 0.995,514 1.29,515 1.129,516 1.045,517 1.044,518 1.108,519 1.019,520 1.597,521 0.92,522 1.109,523 0.885,524 1.428,525 0.92,526 1.222,527 0.938,528 1.065,529 0.977,530 1.137,531 0.999,532 1.098,533 1.061,534 0.936,535 1.003,536 0.907,537 0.961,538 1.543,539 1.06,540 1.116,541 0.992,542 1.33,543 0.997,544 3,545 0.05,546 2.444,547 0.75,548 0.544,549 0.709,550 0.348,551 0.078,552 0.099,553 0.123,554 6613,555 17019,556 2.223,557 36.1,559 12,561 1,567 1.651,568 2.19,569 3.408,570 -0.815,572 1,575 52.546,576 1.46,577 2.451,578 3.266,579 4.239,580 4.725,581 4.725,582 2.893,583 3.915,584 4.493,585 3.54,586 895.734,587 7.705,588 10331.8,590 1,591 1,592 1,593 186.117,594 0.828,595 4.498,596 0.115,597 0.005,598 0.07,599 0.023,600 0.019,601 0.028,602 0.017,603 0.004,604 0.006,605 0.009,606 0.295,607 0.67,608 0.88,610 108.972,611 0.208,612 -0.039,613 0.071,614 -0.008,615 0.023,616 0.007,617 0.174,618 -0.116,619 -0.058,620 -0.168,621 0.015,622 -0.153,623 0.133,624 -0.041,625 0.059,626 -0.081,627 0.2,628 -0.035,629 -0.015,630 -0.123,631 -0.051,632 -0.093,633 0.03,634 -0.08,635 -0.246,636 0.094,637 -0.078,638 0.084,639 -0.241,640 0.041,641 -0.139,642 0.014,643 -0.051,644 0.02,645 -0.127,646 0.002,647 -0.062,648 -0.101,649 0.034,650 -0.03,651 0.075,652 0.006,653 -0.227,654 -0.055,655 -0.136,656 -0.045,657 -0.185,658 -0.071,659 1.176,660 1.85,661 1,662 21.732,663 1.001,664 1.105,665 4.557,666 20.768,667 0.73,668 3.296,669 3.584,670 3.871,671 4.111,672 4.304,673 4.344,674 4.489,675 4.554,676 4.673,677 4.762,678 6.231,679 0.706,680 299.35,681 3.296,682 4.812,683 5.659,684 6.518,685 7.378,686 8.243,687 9.109,688 9.977,689 10.845,690 11.715,691 8.3,701 3,709 13,710 3,712 1,714 6,716 23,738 36,739 23,740 2,741 26,743 39,744 19,745 19,746 3,747 9,752 4,753 4,768 19,786 1,789 13,790 4,792 4,797 3,803 1,804 1,816 1,822 1,823 3,855 4,862 23,886 2.8,891 1,893 10.5,894 6.6,895 5.083,896 2.113,898 4.097,899 1.567,900 1.037,901 3.513,902 11.324,903 3.651,904 4.259,905 4.888,906 5.486,907 6.002,908 6.268,909 6.765,910 7.164,911 7.598,912 7.998,913 1,914 33,915 8.412,917 3.544,918 7.609,919 16.107,921 13.054,924 2.109,925 48.5,929 153.024,930 142.424,931 53.168,933 9.734,936 142.424,937 162.758,938 53.168,941 113.715,942 69.959,943 33.423,945 141.253,947 153.024,948 195.591,949 9.734,952 155.352,953 9.734,956 16.824,957 123.272,958 53.168,960 153.024,961 62.902,962 142.424,965 153.024,966 19.661,967 122.762,969 62.902,970 153.024,971 62.902,972 142.424,973 0.569,974 0.335,975 0.184,976 0.097,977 18,978 6,979 0.077,980 3,982 1,983 3.745,984 183.049,986 23,987 94.042,993 13.564,994 5.956,995 2.804,997 62.902,998 25.617,999 12.632,1001 5.35,1003 4.901,1006 358.35,1007 37.5,1020 36.051,1021 39.78,1022 0.282,1023 0.474,1024 0.632,1025 0.82,1026 0.914,1027 0.914,1028 4.834,1029 1,1030 5.602,1031 2.691,1032 4.263,1033 4.945,1035 6.368,1036 4.223,1037 6.027,1038 1,1039 7.124,1040 2.338,1041 3.611,1042 4.407,1044 7.168,1045 3.546,1046 7.307,1047 1,1048 8.749,1049 2.275,1050 5.802,1051 7.123,1053 10.264,1054 5.722,1055 8.628,1056 0.876,1057 10.44,1058 2.136,1059 6.066,1060 7.495,1062 11.937,1063 5.953,1064 9.983,1065 0.662,1066 12.174,1067 2.136,1068 7.632,1069 9.553,1071 14.485,1072 7.508,1073 11.362,1074 -0.337,1075 13.935,1076 1.628,1077 8.316,1078 10.371,1080 16.482,1081 8.159,1082 12.758,1083 -0.676,1084 15.714,1085 -0.809,1086 9.611,1087 12.115,1089 18.837,1090 9.442,1091 3.011,1092 -0.871,1093 17.506,1094 -1.547,1095 10.498,1096 13.176,1098 20.966,1099 10.297,1100 2.845,1101 9.589,1102 19.306,1103 -1.961,1104 11.671,1105 14.755,1107 23.247,1108 11.455,1109 2.61,1110 9.048,1111 21.112,1112 4.079,1113 12.656,1114 15.954,1116 25.432,1117 12.411,1118 2,1119 8.477,1120 22.923,1121 3.848,1122 13.775,1123 17.444,1125 27.684,1126 13.512,1127 1.796,1128 5.178,1129 24.736,1130 3.504,1131 14.808,1132 18.723,1134 29.895,1135 14.518,1136 1.45,1137 4.481,1138 26.551,1139 3,1140 15.904,1141 20.165,1143 32.137,1144 15.594,1145 1.151,1146 3.458,1147 28.368,1148 2.593,1149 16.962,1150 21.491,1152 34.362,1153 16.626,1154 6102,1155 9950,1156 18.375,1157 26.279,1158 39.191,1159 38.801,1160 38.876,1161 38.786,1162 38.801,1163 55.214,1165 106.871,1166 38.031,1167 5.072,1168 5.011,1169 6.097,1170 5.022,1171 5.011,1172 7.079,1174 16.039,1175 4.938,1177 1.507,1178 1.492,1179 1.495,1180 1.492,1181 1.492,1182 2.124,1184 4.11,1185 1.463,1186 4.04,1187 4.064,1188 4.002,1189 3.97,1190 5.308,1191 3.969,1192 3.907,1193 3.941,1194 3.862,1195 3.787,1196 4.846,1197 3.801,1198 3.77,1199 3.802,1200 3.704,1201 3.694,1202 4.815,1203 3.69,1204 3.55,1205 3.585,1206 3.498,1207 3.321,1208 4.566,1209 3.367,1210 2.942,1211 2.982,1212 2.865,1213 2.874,1214 3.863,1215 2.867,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.81,1221 2.715,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.725,1227 2.715,1228 2.801,1229 2.872,1230 2.66,1231 2.657,1232 3.674,1233 2.651,1234 0.169,1235 0.116,1236 0.242,1237 0.153,1238 0.116,1239 4.386,1240 0.157,1241 3.011,1243 6.296,1244 0.369,1245 3.982,1246 0.113,1247 3.011,1248 4.079,1250 9.589,1251 2.938,1252 1.992,1253 1.971,1254 2.089,1255 2.055,1256 1.196,1257 2.067,1258 1.832,1259 1.795,1260 1.942,1261 1.962,1262 0.966,1263 1.957,1264 1.766,1265 1.738,1266 1.894,1267 1.859,1268 0.947,1269 1.87,1270 1.202,1271 1.164,1272 1.284,1273 1.417,1274 0.364,1275 1.352,1276 1.089,1277 1.068,1278 1.197,1279 1.379,1280 0.274,1281 1.319,1282 0.886,1283 0.821,1284 1.181,1285 1.062,1286 0.218,1287 1.107,1288 0.886,1289 0.821,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.776,1295 0.732,1296 1.046,1297 1.004,1298 0.04,1299 1.03,1300 3.97,1302 5.263,1303 2.398,1304 6.76,1305 4.595,1306 8.339,1307 6.605,1308 9.957,1326 25.413,1327 52.546,1328 88.237,1329 117.588,1330 152.608,1331 170.117,1332 170.117,1333 23.227,1334 7.228,1335 51.81,1336 51.81,1337 23,1338 12.259,1339 4.585,1340 3.644,1341 32.093,1342 86,1343 77,1344 0.183,1345 155.629,1346 256.97,1347 371.495,1348 13412,1350 15.485,1351 0.673,1352 0.533,1353 15.485,1354 12.255,1355 11.399,1356 0.438,1357 0.281,1358 7.239,1359 11.087,1360 7.1,1361 5.916,1362 11.399,1363 7.31,1364 9.804,1365 0.28,1366 0.145,1367 9.804,1368 5.081,1369 8.63,1370 0.184,1371 0.076,1372 8.63,1373 3.559,1374 7.208,1375 0.12,1376 0.04,1377 7.208,1378 2.376,1379 5.685,1380 0.078,1381 0.021,1382 5.685,1383 1.56,1384 0.291,1385 70.619,1386 0.233,1387 22.94,1388 0.489,1389 122,1390 346.671,1391 131.204,1392 343.677,1393 486.26,1394 324,1395 143,1396 379.305,1397 153.453,1398 383.4,1399 556.99,1400 362,1401 6.796}
{0 CHEMBL410484,1 1.523,2 13.156,3 3.919,4 15.355,5 121.022,6 7.348,7 0.486,8 4.169,9 4.279,10 3.728,11 3.689,12 5.255,13 3.675,14 4.725,15 4.899,16 4.077,17 4.06,18 5.814,19 4.029,20 4.955,21 5.158,22 4.173,23 4.216,24 5.982,25 4.171,26 4.981,27 5.156,28 4.15,29 4.216,30 6.147,31 4.172,32 4.998,33 5.193,34 4.109,35 4.235,36 6.138,37 4.163,38 4.982,39 5.199,40 4.057,41 4.264,42 5.948,43 4.157,44 5.05,45 5.294,46 4.024,47 4.217,48 6.102,49 4.107,50 4.92,51 5.165,52 3.882,53 4.086,54 5.864,55 3.978,56 0.018,57 0.832,58 12.095,59 5.501,60 6.675,61 7.076,62 0.48,63 1.347,64 24.152,65 8.649,66 34.845,67 11.695,68 0.405,69 1.624,70 31.612,71 11.178,72 39.467,73 15.008,74 0.486,75 1.621,76 32.309,77 11.256,78 72.92,79 14.411,80 0.704,81 1.651,82 33.43,83 11.82,84 83.541,85 15.617,86 0.239,87 1.675,88 31.73,89 12.966,90 38.337,91 17.983,92 0.555,93 1.733,94 36.024,95 12.726,96 86.019,97 18.161,98 0.322,99 1.537,100 31.315,101 11.13,102 42.884,103 15.795,104 26,105 48,106 0.246,107 0.535,108 0.694,109 0.778,110 0.822,111 0.838,112 3.502,113 0.938,114 -3.63,115 -3.6,116 -3.43,120 42.4,121 2,126 6,143 9,144 3,145 1,147 2,159 1,160 1,174 10,176 4,177 10,185 11,188 1,189 11,197 10,201 8,209 11,213 5,214 7,222 11,226 1,227 9,235 10,239 2,240 9,247 6,251 1,252 10,260 3,263 2,264 8,271 2,274 1990,275 22.016,276 22.016,277 22.016,278 22.016,279 22.016,280 19.899,281 18.904,282 13.188,283 22.694,284 17.196,285 17.196,286 17.196,287 17.196,288 17.196,289 13.819,290 20.73,291 6.08,292 18.062,293 4.36,294 2.578,295 1.594,296 1.076,297 0.805,298 0.704,299 4.2,306 1,307 1,308 897,309 3.742,313 368.631,317 149.674,320 2.008,321 33.681,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 69.5,333 421,334 4.617,335 3.778,336 6.777,337 4.197,338 3.209,339 4.529,340 2.208,341 11.108,342 3.169,343 4.154,344 3.707,345 6.162,346 3.815,347 2.862,348 3.767,349 1.2,350 9.073,351 2.754,352 4.01,353 3.03,354 6.048,355 3.719,356 2.755,357 3.331,358 0.86,359 8.655,360 2.625,361 3.887,362 2.876,363 5.959,364 3.55,365 2.59,366 3.136,367 0.655,368 8.307,369 2.47,370 3.717,371 2.596,372 5.322,373 3.319,374 2.375,375 3.094,376 0.293,377 6.893,378 2.232,379 3.292,380 2.509,381 5.189,382 2.959,383 1.997,384 2.493,385 0.13,386 6.064,387 1.911,388 3.057,389 2.026,390 4.48,391 2.559,392 1.594,393 2.311,395 4.391,396 1.535,397 2.832,398 1.834,399 4.28,400 2.503,401 1.573,402 1.954,404 3.957,405 1.453,406 2.797,407 1.793,408 4.016,409 2.321,410 1.339,411 1.821,413 3.058,414 1.311,415 2.5,416 1.71,417 3.619,418 2.139,419 1.169,420 1.5,422 2.896,423 1.121,424 2.444,425 1.454,426 3.414,427 2,428 1.034,429 1.417,431 2.275,432 1,433 2.186,434 1.266,435 3.414,436 1.969,437 1,438 1.14,440 2.275,441 0.965,442 2.134,443 1.146,444 3.412,445 1.967,446 1,447 1,449 1.856,450 0.954,451 2.02,452 1,453 3.153,454 1.809,455 0.834,456 0.993,458 1.609,459 0.8,460 2,461 0.896,462 2.904,463 1.594,464 0.577,465 0.793,467 1.252,468 0.579,469 15.033,470 0.47,471 0.657,472 0.021,473 40.5,474 1.266,475 19.5,476 0.609,477 21,478 0.656,479 27.59,480 0.862,481 34.767,482 0.589,483 33.465,484 1.046,485 8.137,486 0.254,487 7.464,488 0.233,489 0.111,491 0.319,496 0.737,497 1.435,498 0.771,499 1.2,500 0.567,501 1.024,502 0.877,503 1.021,504 0.878,505 0.891,506 0.559,507 0.876,508 1.125,509 0.931,510 0.895,511 0.86,512 0.832,513 0.832,514 1.566,515 1.114,516 1.178,517 1.03,518 1.927,519 1.036,520 1.212,521 0.887,522 1.123,523 0.911,524 1.705,525 0.993,526 0.535,527 1.169,528 0.912,529 1.168,530 0.654,531 1.12,532 0.672,533 1.021,534 0.922,535 0.987,536 0.678,537 0.989,538 0.764,539 1.023,540 0.967,541 1.048,542 0.739,543 1.032,544 5.5,545 0.235,546 4,547 1.875,548 1.751,549 1.389,550 0.768,551 0.458,552 0.368,553 0.292,554 13753,555 36375,556 2.082,557 45.8,559 21,564 6,567 1.747,568 1.959,569 3.627,570 -0.774,572 1,575 89.843,576 1.523,577 3.304,578 4.289,579 4.806,580 5.077,581 5.179,582 3.156,583 4.414,584 4.961,585 3.781,586 1875.52,587 8.701,588 27173.2,590 1,593 347.076,594 1.366,595 4.936,596 0.157,597 0.008,598 0.083,599 0.035,600 0.035,601 0.029,602 0.017,603 0.011,604 0.01,605 0.009,606 0.394,607 0.33,608 1,609 1.188,610 167.926,611 -0.009,612 -0.258,613 0.069,614 -0.122,615 -0.03,616 -0.033,617 0.131,618 0.098,619 0.064,620 0.094,621 0.1,622 0.072,623 -0.104,624 0.118,625 0.074,626 0.121,627 -0.015,628 0.131,629 -0.263,630 -0.077,631 -0.191,632 -0.049,633 -0.256,634 -0.099,635 -0.06,636 0.144,637 -0.143,638 0.07,639 -0.169,640 -0.039,641 0.064,642 -0.162,643 -0.001,644 -0.132,645 0.047,646 -0.089,647 0.112,648 -0.028,649 0.046,650 -0.008,651 0.176,652 0.009,653 -0.013,654 -0.014,655 -0.005,656 -0.074,657 -0.019,658 -0.039,659 1.994,660 6.482,661 0.688,662 37.586,663 1.004,664 1.124,665 2.396,666 5.74,667 0.661,668 3.584,669 3.892,670 4.19,671 4.443,672 4.718,673 4.844,674 5.03,675 5.147,676 5.293,677 5.38,678 7.297,679 0.631,680 433.55,681 3.584,682 5.118,683 5.974,684 6.849,685 7.725,686 8.611,687 9.496,688 10.387,689 11.277,690 12.172,691 5.1,698 2,701 1,708 2,709 9,710 1,714 4,716 17,724 1,735 1,738 59,739 19,740 2,741 35,743 62,744 25,745 15,746 4,747 8,748 1,752 4,753 5,759 2,768 17,769 8,772 2,778 2,782 2,786 1,789 27,790 7,792 7,797 3,803 0.75,804 4,816 1,823 4,827 1,852 1,855 3,859 2,862 32,869 6,872 2,875 2,886 6.8,889 2,891 2,893 16.333,894 11.267,895 7.25,896 3.906,898 3.406,899 1.428,900 0.972,901 7.034,902 11.358,903 3.839,904 4.407,905 5.012,906 5.598,907 6.215,908 6.587,909 7.086,910 7.518,911 7.964,912 8.236,913 1,914 53,915 11.895,917 5.023,918 7.76,919 22.69,921 18.356,924 2.26,925 72.333,928 1,929 317.82,930 151.1,931 23.034,933 72.29,936 151.1,937 390.109,938 23.034,939 17.65,940 23.856,941 85.286,942 71.78,943 41.088,944 6.763,945 317.82,947 317.82,948 174.134,949 72.29,952 247.193,953 142.916,956 46.408,957 110.941,958 16.786,960 317.82,961 95.324,962 151.1,965 317.82,966 48.163,967 109.185,969 89.075,970 317.82,971 95.324,972 151.1,973 0.569,974 0.341,975 0.186,976 0.103,977 22,978 10,979 0.097,980 6,981 1,982 1.091,983 4.261,984 294.465,985 0.091,986 22,987 150,993 22.253,994 10.114,995 4.951,996 1.59,997 95.324,998 17.258,999 4.784,1003 3.067,1006 564.243,1007 45.5,1013 25.451,1017 -0.383,1020 59.218,1021 66.315,1022 0.259,1023 0.562,1024 0.729,1025 0.817,1026 0.863,1027 0.88,1028 5.07,1029 1.573,1030 5.948,1031 4.391,1032 4.575,1033 5.094,1034 2.677,1035 6.763,1036 4.495,1037 6.258,1038 1.339,1039 7.509,1040 3.957,1041 4.111,1042 4.879,1043 1.905,1044 7.676,1045 4.008,1046 7.56,1047 1.169,1048 9.174,1049 3.058,1050 6.168,1051 7.284,1052 3.655,1053 10.786,1054 6.022,1055 8.899,1056 1.034,1057 10.899,1058 2.896,1059 6.553,1060 7.933,1061 3.679,1062 12.526,1063 6.392,1064 10.273,1065 1,1066 12.662,1067 2.275,1068 8.05,1069 9.809,1070 4.994,1071 15.15,1072 7.857,1073 11.672,1074 1,1075 14.452,1076 2.275,1077 8.823,1078 10.874,1079 5.378,1080 17.234,1081 8.621,1082 13.09,1083 0.834,1084 16.26,1085 1.856,1086 10.093,1087 12.532,1088 6.469,1089 19.695,1090 9.868,1091 3.209,1092 0.577,1093 18.081,1094 1.609,1095 11.052,1096 13.812,1097 7.031,1098 21.939,1099 10.819,1100 2.862,1101 11.108,1102 19.914,1103 1.252,1104 12.23,1105 15.376,1106 7.997,1107 24.346,1108 11.982,1109 2.755,1110 9.073,1111 21.755,1112 4.529,1113 13.279,1114 16.768,1115 8.655,1116 26.667,1117 13.024,1118 2.59,1119 8.655,1120 23.603,1121 3.767,1122 14.424,1123 18.293,1124 9.55,1125 29.061,1126 14.159,1127 2.375,1128 8.307,1129 25.457,1130 3.331,1131 15.518,1132 19.741,1133 10.263,1134 31.421,1135 15.247,1136 1.997,1137 6.893,1138 27.317,1139 3.136,1140 16.655,1141 21.251,1142 11.116,1143 33.814,1144 16.376,1145 1.594,1146 6.064,1147 29.182,1148 3.094,1149 17.773,1150 22.728,1151 11.862,1152 36.194,1153 17.488,1154 13330,1155 21807,1156 23.463,1157 38.972,1158 52.29,1159 54.19,1160 54.011,1161 51.869,1162 51.817,1163 66.557,1164 10.691,1165 147.336,1166 49.76,1167 5.617,1168 5.778,1169 6.547,1170 5.264,1171 5.209,1172 7.529,1173 3.912,1174 18.507,1175 5.169,1176 15.472,1177 1.494,1178 1.548,1179 1.543,1180 1.482,1181 1.48,1182 1.902,1183 0.305,1184 4.21,1185 1.422,1186 4.112,1187 4.136,1188 4.08,1189 4.043,1190 7.434,1191 4.048,1192 3.873,1193 3.905,1194 3.816,1195 3.807,1196 7.427,1197 3.805,1198 3.837,1199 3.887,1200 3.75,1201 3.622,1202 4.994,1203 3.643,1204 3.555,1205 3.597,1206 3.471,1207 3.382,1208 4.811,1209 3.389,1210 3.491,1211 3.551,1212 3.356,1213 3.283,1214 4.485,1215 3.287,1216 3.413,1217 3.467,1218 3.251,1219 3.245,1220 4.429,1221 3.233,1222 3.231,1223 3.28,1224 3.121,1225 3.002,1226 4.251,1227 3.032,1228 3.111,1229 3.206,1230 2.945,1231 2.941,1232 4.21,1233 2.91,1234 0.132,1235 0.108,1236 0.194,1237 0.12,1238 0.092,1239 4.617,1240 0.129,1241 3.778,1242 0.063,1243 6.777,1244 0.317,1245 4.197,1246 0.091,1247 3.209,1248 4.529,1249 2.208,1250 11.108,1251 3.169,1252 2.064,1253 2.045,1254 2.129,1255 2.147,1256 1.292,1257 2.142,1258 1.863,1259 1.843,1260 1.975,1261 2,1262 1.227,1263 1.99,1264 1.759,1265 1.695,1266 1.95,1267 1.949,1268 1.068,1269 1.955,1270 1.493,1271 1.448,1272 1.8,1273 1.749,1274 0.937,1275 1.76,1276 1.474,1277 1.408,1278 1.787,1279 1.7,1280 0.926,1281 1.73,1282 1.412,1283 1.353,1284 1.576,1285 1.567,1286 0.825,1287 1.57,1288 1.153,1289 1.079,1290 1.513,1291 1.398,1292 0.66,1293 1.429,1294 1.116,1295 1.064,1296 1.254,1297 1.376,1298 0.387,1299 1.358,1300 4.263,1302 5.572,1304 7.094,1306 8.711,1308 10.379,1310 3.734,1315 2.795,1318 10.605,1321 3.433,1326 37.245,1327 89.843,1328 194.959,1329 253.037,1330 283.566,1331 299.566,1332 305.566,1333 61.201,1334 7.952,1335 71.97,1336 71.97,1337 24,1338 12.699,1339 4.322,1340 3.524,1341 51.761,1342 133,1343 170,1344 0.184,1345 228.099,1346 400.68,1347 548.322,1348 31897,1350 22.501,1351 0.703,1352 0.575,1353 22.501,1354 18.413,1355 15.601,1356 0.446,1357 0.313,1358 10.776,1359 14.914,1360 10.527,1361 8.692,1362 15.601,1363 10.943,1364 13.473,1365 0.281,1366 0.156,1367 13.473,1368 7.508,1369 11.737,1370 0.181,1371 0.085,1372 11.737,1373 5.501,1374 9.729,1375 0.116,1376 0.046,1377 9.729,1378 3.866,1379 7.939,1380 0.072,1381 0.024,1382 7.939,1383 2.715,1384 0.288,1385 98.135,1386 0.206,1387 29.891,1388 0.505,1389 166,1390 511.877,1391 184.729,1392 482.205,1393 659.96,1394 454,1395 196,1396 483.633,1397 214.181,1398 483.246,1399 714.53,1400 457,1401 4.839}
{0 CHEMBL414890,1 1.492,2 7.857,3 0.854,4 0.729,5 75.688,6 9.234,7 0.261,8 3.601,9 3.645,10 3.305,11 3.151,12 4.981,13 3.195,14 4.042,15 4.089,16 3.747,17 3.535,18 5.52,19 3.589,20 4.389,21 4.472,22 3.868,23 3.642,24 5.889,25 3.7,26 4.403,27 4.517,28 3.79,29 3.526,30 6.033,31 3.569,32 4.247,33 4.378,34 3.522,35 3.377,36 5.83,37 3.399,38 4.017,39 4.157,40 3.344,41 3.21,42 5.581,43 3.215,44 3.853,45 3.963,46 3.224,47 3.018,48 5.559,49 3.049,50 3.733,51 3.874,52 2.832,53 2.725,54 5.396,55 2.734,56 0.239,57 0.367,58 4.032,59 2.902,60 39.34,61 2.307,62 0.307,63 0.578,64 5.713,65 4.594,66 42.945,67 3.957,68 0.76,69 0.785,70 12.059,71 6.212,72 108.581,73 5,74 1.023,75 0.787,76 14.822,77 6.335,78 138.968,79 6.081,80 0.821,81 0.678,82 13.55,83 5.477,84 130.718,85 5.025,86 0.584,87 0.55,88 10.324,89 4.52,90 100.334,91 4.696,92 0.527,93 0.454,94 7.972,95 3.654,96 93.095,97 3.391,98 0.521,99 0.395,100 8.407,101 3.187,102 90.411,103 2.797,104 26,105 35,106 0.278,107 0.66,108 0.8,109 0.852,110 0.877,111 0.877,112 3.105,113 0.788,114 -1.56,115 -1.64,116 -1.67,120 48.4,131 1,136 5,139 1,143 2,144 1,145 3,157 1,158 1,174 2,177 7,182 6,185 6,189 4,192 1,194 3,197 4,200 1,201 5,204 3,205 1,206 3,209 4,214 2,217 2,219 2,222 4,226 1,227 3,230 1,232 1,235 4,244 2,245 5,247 2,251 1,252 2,257 4,260 2,274 484,275 13.541,276 13.541,277 13.541,278 13.541,279 13.541,280 12.085,281 16.78,282 7.57,283 13.687,284 11.301,285 11.301,286 11.301,287 11.301,288 11.301,289 8.799,290 20.232,291 3.573,292 11.583,293 3.462,294 1.417,295 0.67,296 0.387,297 0.258,298 0.258,299 3.775,306 1,307 1,308 351,309 2.55,313 158.186,317 83.961,320 1.211,321 45.162,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 48,333 165,334 4.656,335 4.114,336 7.479,337 4.424,338 3.466,339 4.225,340 2.249,341 13.234,342 3.315,343 4.43,344 3.59,345 6.731,346 4.095,347 3.113,348 3.789,349 0.941,350 10.884,351 3.055,352 3.772,353 3.355,354 5.262,355 3.363,356 2.342,357 3.117,359 6.523,360 2.397,361 3.635,362 2.953,363 5.232,364 3.268,365 2.263,366 2.904,368 6.288,369 2.249,370 3.316,371 2.544,372 5.016,373 2.933,374 2.008,375 2.544,377 5.884,378 1.842,379 3.16,380 2.29,381 4.82,382 2.715,383 1.733,384 2.306,386 5.07,387 1.682,388 2.841,389 1.885,390 4.551,391 2.372,392 1.423,393 1.815,395 4.14,396 1.333,397 2.732,398 1.147,399 3.802,400 2,401 1,402 1.562,404 2.372,405 1,406 1.919,407 0.919,408 3.283,409 1.137,410 0.123,411 0.193,413 0.282,414 0.122,415 1.392,416 0.784,417 2.823,418 0.894,419 -0.078,420 -0.098,422 -0.207,423 -0.074,424 1.182,425 0.174,426 2.632,427 0.778,428 -0.189,429 -0.268,431 -0.523,432 -0.181,433 0.806,434 -0.069,435 2.542,436 0.417,437 -0.526,438 -0.649,440 -1.282,441 -0.477,442 0.389,443 -0.097,444 2.445,445 0.118,446 -0.807,447 -0.931,449 -2.197,450 -0.735,451 0.294,452 -0.201,453 2.32,455 -1,456 -1,458 -2.618,459 -0.962,460 0.119,461 -0.624,462 1.78,463 -0.002,464 -1,465 -1.219,467 -3.372,468 -1,469 9.5,470 0.452,471 0.784,472 0.037,473 28.25,474 1.345,475 15,476 0.714,477 13.25,478 0.631,479 13.528,480 0.644,481 22.3,482 0.719,483 22.7,484 1.081,485 5.856,486 0.279,487 4.031,488 0.192,489 0.175,490 0.053,491 0.368,496 0.901,497 0.824,498 0.696,499 0.796,500 0.874,501 0.695,502 0.781,503 1.194,504 0.621,505 1.16,506 0.654,507 0.925,508 1.183,509 1.105,510 1.038,511 1.086,512 1.08,513 1.023,514 0.891,515 1.008,516 0.969,517 1.016,518 0.836,519 1.026,520 1.13,521 0.891,522 1.151,523 0.901,524 1.008,525 0.992,526 0.794,527 0.987,528 0.946,529 1.003,530 1.001,531 1.033,532 0.961,533 1.106,534 1.067,535 1.118,536 1.135,537 1.135,538 1.337,539 1.046,540 1.449,541 1.07,542 1.326,543 1.235,544 6.5,545 0.012,546 3.333,547 2.313,548 1.822,549 0.993,550 0.548,551 0.311,552 0.127,553 0.101,554 3807,555 14995,556 2.006,557 32.3,559 7,562 3,567 1.636,568 1.813,569 2.955,570 1.109,572 1,574 1,575 46.248,576 1.492,577 3.538,578 4.285,579 4.567,580 4.696,581 4.696,582 2.453,583 4.202,584 4.365,585 3.076,586 645.863,587 7.5,588 6539.95,589 1,590 1,593 153.58,594 1.761,595 4.278,596 0.283,597 0.004,598 0.095,599 0.063,600 0.057,601 0.04,602 0.026,603 0.017,604 0.012,605 0.02,606 0.616,607 0.67,608 1,609 0.702,610 92.416,611 -0.17,612 0.178,613 -0.063,614 0.184,615 -0.203,616 0.135,617 -0.069,618 -0.206,619 0.027,620 -0.189,621 -0.003,622 -0.084,623 -0.193,624 -0.134,625 -0.171,626 -0.132,627 -0.188,628 -0.138,629 0.159,630 -0.045,631 0.042,632 -0.057,633 0.086,634 -0.061,635 -0.102,636 0.073,637 -0.115,638 0.066,639 -0.017,640 0.001,641 0.091,642 -0.022,643 0.063,644 -0.023,645 0.017,646 -0.003,647 0.042,648 -0.144,649 -0.095,650 -0.159,651 0.016,652 -0.182,653 -0.209,654 -0.095,655 -0.336,656 -0.116,657 -0.131,658 -0.232,659 2.984,660 5.053,661 0.762,662 13.383,663 1.045,664 1.107,665 0.332,666 0.11,667 0.695,668 3.178,669 3.584,670 3.85,671 4.127,672 4.394,673 4.489,674 4.533,675 4.585,676 4.654,677 4.595,678 4.721,679 0.707,680 286.25,681 3.178,682 4.762,683 5.631,684 6.55,685 7.44,686 8.36,687 9.259,688 10.179,689 11.082,690 12.003,709 2,714 4,716 6,721 1,734 2,735 1,738 31,739 11,740 1,741 23,743 33,744 15,745 6,746 4,747 2,748 8,752 3,753 4,764 1,768 14,769 1,770 1,772 5,778 2,780 5,782 3,785 1,786 1,789 10,790 6,791 3,792 6,803 0.667,804 6,807 1,823 3,827 1,836 1,845 6,853 1,855 2,862 21,868 3,872 1,876 1,886 19.4,887 1,888 2,889 2,891 1,893 11.583,894 5.433,895 4.417,896 1.622,898 2.281,899 1.333,900 0.874,901 2.97,902 9.123,903 3.466,904 4.069,905 4.647,906 5.168,907 5.669,908 5.995,909 6.156,910 6.555,911 6.814,912 7.054,913 1,914 37,915 7.847,917 3.687,918 8.472,919 13.782,921 11.551,924 2.972,925 62.417,929 82.398,930 90.273,933 189.34,936 90.273,937 271.737,941 109.017,942 151.167,943 19.429,945 82.398,947 82.398,948 90.273,949 189.34,952 82.398,953 146.656,954 42.683,957 37.648,958 52.625,960 82.398,961 189.34,962 90.273,965 82.398,966 23.939,967 66.334,969 189.34,970 82.398,971 189.34,972 90.273,973 0.609,974 0.354,975 0.186,976 0.107,977 19,978 9,979 0.03,980 1,981 1,982 1.125,983 3.147,984 170.25,985 0.125,986 16,987 85.484,993 13.612,994 4.583,995 2.265,997 189.34,998 2.178,1003 -0.86,1005 128.05,1006 362.011,1007 31,1013 23.161,1015 5.738,1017 -0.987,1020 32.382,1021 34.332,1022 0.301,1023 0.714,1024 0.865,1025 0.922,1026 0.948,1027 0.948,1028 4.758,1029 1,1030 5.7,1031 4.14,1032 4.263,1033 4.754,1034 2.296,1035 6.616,1036 4.212,1037 6.022,1038 0.123,1039 7.34,1040 2.372,1041 4.205,1042 4.745,1043 2.307,1044 7.96,1045 4.111,1046 7.375,1047 -0.078,1048 9.091,1049 0.282,1050 6.019,1051 6.952,1052 3.435,1053 11.016,1054 5.912,1055 8.761,1056 -0.189,1057 10.91,1058 -0.207,1059 6.711,1060 7.675,1061 4.005,1062 13.167,1063 6.552,1064 10.176,1065 -0.526,1066 12.774,1067 -0.523,1068 8.114,1069 9.425,1070 4.918,1071 15.857,1072 7.935,1073 11.612,1074 -0.807,1075 14.672,1076 -1.282,1077 9.122,1078 10.5,1079 5.655,1080 18.284,1081 8.888,1082 13.066,1083 -1,1084 16.594,1085 -2.197,1086 10.394,1087 12.062,1088 6.501,1089 20.878,1090 10.129,1091 3.466,1092 -1,1093 18.535,1094 -2.618,1095 11.531,1096 13.312,1097 7.288,1098 23.396,1099 11.213,1100 3.113,1101 13.234,1102 20.49,1103 -3.372,1104 12.764,1105 14.795,1106 8.111,1107 25.967,1108 12.407,1109 2.342,1110 10.884,1111 22.455,1112 4.225,1113 13.952,1114 16.131,1115 8.913,1116 28.518,1117 13.546,1118 2.263,1119 6.523,1120 24.429,1121 3.789,1122 15.176,1123 17.58,1124 9.728,1125 31.087,1126 14.727,1127 2.008,1128 6.288,1129 26.409,1130 3.117,1131 16.386,1132 18.96,1133 10.536,1134 33.651,1135 15.889,1136 1.733,1137 5.884,1138 28.393,1139 2.904,1140 17.609,1141 20.396,1142 11.348,1143 36.222,1144 17.067,1145 1.423,1146 5.07,1147 30.381,1148 2.544,1149 18.829,1150 21.799,1151 12.158,1152 38.793,1153 18.24,1154 3792,1155 7595,1156 14.622,1157 21.534,1158 36.75,1159 37.477,1160 37.571,1161 35.083,1162 34.94,1163 44.91,1164 6.38,1165 109.356,1166 33.988,1167 5.535,1168 6.114,1169 6.726,1170 5.521,1171 5.466,1172 7.225,1173 3.567,1174 20.706,1175 5.315,1176 12.145,1177 1.598,1178 1.629,1179 1.634,1180 1.525,1181 1.519,1182 1.953,1183 0.277,1184 4.755,1185 1.478,1186 4.02,1187 4.02,1188 3.992,1189 3.921,1190 7.431,1191 3.937,1192 3.845,1193 3.857,1194 3.797,1195 3.757,1196 7.427,1197 3.763,1198 3.469,1199 3.474,1200 3.421,1201 3.33,1202 6.492,1203 3.348,1204 3.096,1205 3.082,1206 3.06,1207 2.893,1208 6.449,1209 2.907,1210 2.999,1211 3.063,1212 2.862,1213 2.863,1214 6.445,1215 2.875,1216 2.94,1217 2.946,1218 2.849,1219 2.712,1220 4.759,1221 2.737,1222 2.732,1223 2.739,1224 2.659,1225 2.483,1226 4.363,1227 2.515,1228 2.54,1229 2.527,1230 2.465,1231 2.15,1232 4.075,1233 2.242,1234 0.202,1235 0.179,1236 0.325,1237 0.192,1238 0.151,1239 4.656,1240 0.184,1241 4.114,1242 0.098,1243 7.479,1244 0.575,1245 4.424,1246 0.144,1247 3.466,1248 4.225,1249 2.249,1250 13.234,1251 3.315,1252 1.944,1253 1.941,1254 2.007,1255 2.061,1256 1.132,1257 2.04,1258 1.814,1259 1.8,1260 1.906,1261 1.926,1262 1.012,1263 1.919,1264 1.402,1265 1.391,1266 1.515,1267 1.572,1268 0.552,1269 1.548,1270 1.028,1271 0.969,1272 1.292,1273 1.236,1274 0.326,1275 1.226,1276 0.946,1277 0.95,1278 1.093,1279 1.186,1280 0.097,1281 1.174,1282 0.822,1283 0.804,1284 0.998,1285 1.126,1286 0.037,1287 1.074,1288 0.603,1289 0.584,1290 0.836,1291 0.932,1293 0.892,1294 0.295,1295 0.312,1296 0.576,1297 0.733,1299 0.657,1300 3.85,1302 5.231,1304 6.815,1306 8.494,1308 10.221,1314 29.522,1318 5.398,1322 -1.734,1326 21.923,1327 46.248,1328 109.664,1329 132.825,1330 141.58,1331 145.58,1332 145.58,1333 57.97,1334 6.842,1335 107.97,1336 107.97,1337 18,1338 12.514,1339 3.585,1340 3.17,1341 32.035,1342 60,1343 63,1344 0.278,1345 133.034,1346 251.7,1347 316.362,1348 7053,1350 15.198,1351 0.724,1352 0.505,1353 15.198,1354 10.608,1355 9.888,1356 0.43,1357 0.263,1358 5.939,1359 9.437,1360 5.862,1361 4.787,1362 9.888,1363 6.041,1364 9.873,1365 0.282,1366 0.134,1367 9.873,1368 4.707,1369 7.983,1370 0.174,1371 0.069,1372 7.983,1373 3.193,1374 6.772,1375 0.111,1376 0.035,1377 6.772,1378 2.145,1379 5.474,1380 0.068,1381 0.018,1382 5.474,1383 1.453,1384 0.416,1385 62.952,1386 0.262,1387 20.209,1388 0.824,1389 116,1390 433.656,1391 131.39,1392 407.925,1393 535.37,1394 374,1395 139,1396 381.636,1397 154.06,1398 380.431,1399 561.41,1400 358,1401 5.368}
{0 CHEMBL423192,1 1.511,2 8.632,3 0.877,4 0.77,5 69.302,6 6.983,7 0.3,8 3.729,9 3.837,10 3.218,11 3.172,12 4.823,13 3.164,14 4.29,15 4.455,16 3.556,17 3.537,18 5.377,19 3.51,20 4.545,21 4.737,22 3.553,23 3.648,24 5.624,25 3.582,26 4.541,27 4.769,28 3.407,29 3.64,30 5.464,31 3.533,32 4.535,33 4.776,34 3.471,35 3.606,36 5.67,37 3.503,38 4.496,39 4.739,40 3.179,41 3.474,42 5.522,43 3.352,44 4.265,45 4.543,46 3.012,47 3.222,48 5.229,49 3.093,50 3.958,51 4.188,52 2.832,53 2.913,54 5.081,55 2.83,56 0.065,57 0.502,58 8.681,59 3.682,60 11.708,61 4.764,62 0.323,63 0.781,64 16.572,65 5.721,66 36.503,67 7.789,68 0.616,69 0.911,70 22.473,71 6.978,72 63.286,73 9.621,74 0.387,75 0.915,76 22.153,77 7.327,78 45.554,79 10.414,80 0.421,81 0.907,82 22.034,83 7.143,84 67.87,85 10.496,86 0.465,87 0.81,88 21.832,89 6.384,90 61.304,91 9.251,92 0.318,93 0.617,94 17.339,95 5.418,96 36.153,97 7.963,98 0.324,99 0.447,100 12.739,101 3.718,102 34.867,103 5.309,104 22,105 27,106 0.278,107 0.637,108 0.834,109 0.863,110 0.863,111 0.863,112 3.009,113 0.947,114 -2.17,115 -2.21,116 -2.19,120 36.8,121 1,122 1,125 1,126 1,128 3,143 4,144 1,145 1,159 1,174 5,176 1,177 4,182 1,185 6,189 3,192 2,193 1,194 1,197 4,201 2,206 3,214 4,217 2,219 5,222 1,227 3,232 2,235 1,240 2,243 1,245 2,247 2,251 1,252 2,260 2,267 1,274 435,275 12.593,276 12.593,277 12.593,278 12.593,279 12.593,280 11.663,281 16.349,282 7.449,283 12.947,284 9.799,285 9.799,286 9.799,287 9.799,288 9.799,289 8.388,290 18.634,291 3.467,292 10.297,293 3.737,294 1.792,295 0.724,296 0.566,297 0.566,298 0.566,299 3.663,306 1,307 1,308 334,309 2.915,312 56.713,313 62.465,320 1.335,321 23.641,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 42.5,333 164,334 4.119,335 3.683,336 6.494,337 4.004,338 3.056,339 3.642,340 2.443,341 10.124,342 2.895,343 3.972,344 3.211,345 5.507,346 3.603,347 2.631,348 3.088,349 0.86,350 7.4,351 2.555,352 3.51,353 2.884,354 5.185,355 3.174,356 2.219,357 2.755,358 0.4,359 6.431,360 2.104,361 3.416,362 2.563,363 4.784,364 3.078,365 2.1,366 2.565,367 0.286,368 5.167,369 2.027,370 2.753,371 1.98,372 4.67,373 2.64,374 1.693,375 1.761,377 4.935,378 1.595,379 2.5,380 1.752,381 3.867,382 2.071,383 1.144,384 1.5,386 2.906,387 1.051,388 2.203,389 1.162,390 3.414,391 2,392 1,393 1.178,395 2.275,396 1,397 1.737,398 1,399 3.04,400 1.487,401 0.604,402 0.662,404 1.086,405 0.527,406 1.311,407 0.829,408 2.648,409 1.116,410 0.213,411 0.226,413 0.437,414 0.19,415 0.93,416 0.455,417 2.429,418 0.657,419 -0.274,420 -0.305,422 -0.581,423 -0.253,424 0.555,425 0.137,426 2,427 0.173,428 -0.775,429 -0.833,431 -1.973,432 -0.706,433 0.5,434 -0.238,435 2,436 0.088,437 -0.917,438 -0.987,440 -2,441 -0.824,442 0.309,443 -0.534,444 1.698,446 -1,447 -1.364,449 -2.262,450 -1,451 0.11,452 -0.919,453 1.408,454 -0.025,455 -1,456 -1.5,458 -3,459 -1.094,460 -0.38,461 -1,462 1.113,463 -0.481,464 -1.426,465 -1.536,467 -3.786,468 -1.301,469 8.733,470 0.46,471 0.489,472 0.026,473 20,474 1.053,475 8,476 0.421,477 12,478 0.632,479 15.57,480 0.819,481 22.467,482 0.591,483 13.884,484 0.731,485 4.207,486 0.221,487 4.89,488 0.257,489 0.191,491 0.344,496 0.873,497 1.384,498 0.862,499 1.275,500 0.782,501 1.091,502 0.993,503 1.165,504 0.937,505 1.081,506 0.7,507 1.001,508 1.197,509 0.982,510 1.174,511 1.015,512 1.102,513 1.077,514 0.988,515 1.082,516 1.05,517 1.056,518 0.866,519 1.069,520 0.653,521 1.111,522 0.853,523 1.078,524 0.872,525 1.02,526 1.218,527 0.955,528 1.188,529 0.988,530 1.396,531 1.062,532 0.756,533 0.846,534 0.765,535 0.894,536 0.713,537 0.847,538 1.09,539 1.034,540 0.982,541 1.029,542 1.308,543 0.993,544 4.5,545 0.033,546 2,547 1.167,548 1.057,549 0.556,550 0.334,551 0.23,552 0.146,553 0.116,554 3039,555 9167,556 1.965,557 50,559 12,562 2,563 3,564 2,567 1.602,568 1.81,569 3.096,570 0.393,572 1,574 1,575 57.408,576 1.511,577 3.456,578 4.524,579 4.682,580 4.682,581 4.682,582 2.55,583 3.682,584 4.217,585 3.219,586 550.378,587 7.181,588 5450.22,589 1,590 1,593 199.421,594 1.509,595 4.159,596 0.225,597 0.008,598 0.074,599 0.047,600 0.048,601 0.024,602 0.021,603 0.016,604 0.013,605 0.017,606 0.493,607 0.5,608 1,609 1.262,610 82.825,611 -0.077,612 -0.097,613 0.027,614 -0.057,615 -0.098,616 0.002,617 -0.012,618 -0.029,619 0.015,620 -0.008,621 0.044,622 0.01,623 -0.054,624 0.058,625 -0.181,626 -0.025,627 -0.093,628 -0.119,629 -0.122,630 -0.087,631 -0.104,632 -0.049,633 -0.104,634 -0.072,635 0.126,636 -0.116,637 0.087,638 -0.089,639 0.156,640 -0.023,641 -0.201,642 -0.007,643 -0.203,644 -0.056,645 -0.193,646 -0.116,647 0.069,648 0.027,649 0.198,650 0.045,651 0.085,652 0.134,653 0.047,654 -0.136,655 0.027,656 -0.092,657 -0.062,658 -0.046,659 2.035,660 4.049,661 0.579,662 13.762,663 1.01,664 1.133,665 0.939,666 0.881,667 0.623,668 3.045,669 3.332,670 3.526,671 3.738,672 3.871,673 3.784,674 3.829,675 3.829,676 3.807,677 3.807,678 5.104,679 0.595,680 265.34,681 3.045,682 4.554,683 5.371,684 6.229,685 7.071,686 7.932,687 8.785,688 9.647,689 10.505,690 11.368,691 2.6,693 1,709 4,714 2,716 6,735 1,738 38,739 7,740 1,741 20,743 39,744 14,745 6,746 2,747 4,752 2,753 2,759 1,763 3,766 4,768 7,769 7,772 1,778 1,782 1,785 1,786 1,789 19,790 5,791 2,792 5,797 1,803 1,804 4,806 1,819 1,822 1,823 1,841 1,849 1,853 1,855 2,859 2,862 19,868 1,869 2,871 1,872 2,874 3,886 10.5,887 1,889 1,891 2,893 10.5,894 7.033,895 4.306,896 2.108,898 1.174,899 1.191,900 0.873,901 4.664,902 7.329,903 3.219,904 3.676,905 4.03,906 4.441,907 4.868,908 4.789,909 4.921,910 5.072,911 5.222,912 5.348,913 0.833,914 25,915 7.048,917 2.943,918 7.947,919 13.285,921 10.665,924 2.447,925 46.5,926 0.001,929 200.109,930 77.874,931 18.011,933 89.828,936 77.874,937 289.937,938 18.011,939 19.708,940 4.64,941 98.599,942 32.336,943 30.429,945 200.109,947 200.109,948 95.885,949 89.828,952 176.567,953 70.687,954 42.683,956 31.476,957 64.408,960 200.109,961 107.839,962 77.874,965 200.109,966 20.261,967 57.613,968 18.011,969 89.828,970 200.109,971 107.839,972 77.874,973 0.573,974 0.321,975 0.169,976 0.096,977 12,978 6,979 0.128,980 5,982 1,983 3.112,984 130.511,986 11,987 76.711,993 14.156,994 6.26,995 3.61,997 107.839,998 7.717,1003 1.907,1005 60.694,1006 385.821,1007 24,1013 11.049,1017 -0.368,1020 38.363,1021 43.073,1022 0.288,1023 0.658,1024 0.862,1025 0.892,1026 0.892,1027 0.892,1028 4.449,1029 0.604,1030 5.352,1031 2.275,1032 4.007,1033 4.357,1034 2.553,1035 6.116,1036 3.914,1037 5.599,1038 0.213,1039 6.887,1040 1.086,1041 3.611,1042 4.06,1043 2.243,1044 6.952,1045 3.483,1046 6.867,1047 -0.274,1048 8.517,1049 0.437,1050 5.557,1051 6.301,1052 3.865,1053 9.993,1054 5.375,1055 8.16,1056 -0.775,1057 10.203,1058 -0.581,1059 5.943,1060 6.715,1061 4.269,1062 11.666,1063 5.708,1064 9.48,1065 -0.917,1066 11.926,1067 -1.973,1068 7.383,1069 8.516,1070 5.49,1071 14.235,1072 7.109,1073 10.816,1074 -1,1075 13.676,1076 -2,1077 8.137,1078 9.249,1079 6.158,1080 16.275,1081 7.798,1082 12.164,1083 -1,1084 15.447,1085 -2.262,1086 9.372,1087 10.865,1088 7.209,1089 18.679,1090 8.997,1091 3.056,1092 -1.426,1093 17.236,1094 -3,1095 10.306,1096 11.776,1097 7.992,1098 20.879,1099 9.863,1100 2.631,1101 10.124,1102 19.038,1103 -3.786,1104 11.458,1105 13.291,1106 8.963,1107 23.224,1108 10.975,1109 2.219,1110 7.4,1111 20.853,1112 3.642,1113 12.48,1114 14.317,1115 9.802,1116 25.49,1117 11.93,1118 2.1,1119 6.431,1120 22.676,1121 3.088,1122 13.6,1123 15.765,1124 10.734,1125 27.815,1126 13.005,1127 1.693,1128 5.167,1129 24.509,1130 2.755,1131 14.666,1132 16.871,1133 11.599,1134 30.109,1135 14.006,1136 1.144,1137 4.935,1138 26.347,1139 2.565,1140 15.775,1141 18.273,1142 12.512,1143 32.426,1144 15.066,1145 1,1146 2.906,1147 28.192,1148 1.761,1149 16.862,1150 19.436,1151 13.391,1152 34.732,1153 16.092,1154 3154,1155 5528,1156 12.83,1157 23.676,1158 29.442,1159 30.179,1160 30.722,1161 29.249,1162 29.319,1163 34.755,1164 7.978,1165 81.523,1166 27.889,1167 5.055,1168 5.683,1169 6.047,1170 5.044,1171 5.056,1172 6.642,1173 4.174,1174 16.74,1175 4.895,1176 10.694,1177 1.472,1178 1.509,1179 1.536,1180 1.462,1181 1.466,1182 1.738,1183 0.399,1184 4.076,1185 1.394,1186 3.975,1187 4.008,1188 3.901,1189 3.884,1190 7.433,1191 3.883,1192 3.806,1193 3.839,1194 3.726,1195 3.644,1196 6.449,1197 3.657,1198 3.485,1199 3.517,1200 3.383,1201 3.236,1202 4.866,1203 3.261,1204 3.305,1205 3.358,1206 3.155,1207 3.088,1208 4.503,1209 3.093,1210 3.09,1211 3.17,1212 2.871,1213 2.858,1214 4.352,1215 2.845,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 4.074,1221 2.715,1222 2.818,1223 2.91,1224 2.603,1225 2.535,1226 3.674,1227 2.527,1228 2.699,1229 2.762,1230 2.512,1231 2.426,1232 3.61,1233 2.443,1234 0.206,1235 0.184,1236 0.325,1237 0.2,1238 0.153,1239 4.119,1240 0.182,1241 3.683,1242 0.122,1243 6.494,1244 0.506,1245 4.004,1246 0.145,1247 3.056,1248 3.642,1249 2.443,1250 10.124,1251 2.895,1252 1.918,1253 1.894,1254 2.038,1255 2.015,1256 1.284,1257 2.023,1258 1.595,1259 1.569,1260 1.78,1261 1.82,1262 1.062,1263 1.8,1264 1.464,1265 1.394,1266 1.704,1267 1.723,1268 0.918,1269 1.721,1270 1.369,1271 1.32,1272 1.66,1273 1.616,1274 0.692,1275 1.627,1276 1.183,1277 1.106,1278 1.556,1279 1.489,1280 0.577,1281 1.512,1282 0.886,1283 0.821,1284 1.201,1285 1.132,1286 0.418,1287 1.162,1288 0.882,1289 0.803,1290 1.181,1291 1.062,1292 0.218,1293 1.107,1294 0.441,1295 0.369,1296 0.806,1297 0.89,1299 0.837,1300 3.714,1302 5.004,1303 2.398,1304 6.472,1305 4.727,1306 8.021,1307 6.783,1308 9.615,1310 2.982,1314 9.809,1315 1.137,1317 3.18,1318 10.282,1320 -1.195,1326 22.622,1327 57.408,1328 131.316,1329 171.911,1330 177.911,1331 177.911,1332 177.911,1333 38.412,1334 6.155,1335 67.79,1336 67.79,1337 11,1338 11.918,1339 3,1340 2.322,1341 33.685,1342 57,1343 63,1344 0.296,1345 141.346,1346 250.74,1347 336.645,1348 3083,1350 13.828,1351 0.728,1352 0.586,1353 13.828,1354 11.128,1355 9.097,1356 0.455,1357 0.316,1358 6.19,1359 8.604,1360 6.008,1361 4.972,1362 9.097,1363 6.315,1364 8.139,1365 0.301,1366 0.174,1367 8.139,1368 4.708,1369 6.253,1370 0.189,1371 0.099,1372 6.253,1373 3.282,1374 4.935,1375 0.12,1376 0.057,1377 4.935,1378 2.329,1379 3.914,1380 0.083,1381 0.032,1382 3.914,1383 1.491,1384 0.457,1385 58.12,1386 0.279,1387 19.053,1388 0.826,1389 94,1390 315.689,1391 107.235,1392 288.437,1393 377.32,1394 270,1395 107,1396 257.227,1397 119.186,1398 255.645,1399 368.94,1400 239,1401 6.614}
{0 CHEMBL428064,1 1.713,2 6.8,3 2.665,4 7.101,5 77.671,6 9.411,7 0.739,8 3.562,9 3.628,10 3.534,11 3.285,12 4.681,13 3.244,14 4.073,15 4.158,16 3.837,17 3.691,18 5.522,19 3.648,20 4.321,21 4.454,22 3.948,23 3.835,24 5.559,25 3.774,26 4.335,27 4.473,28 3.897,29 3.758,30 5.63,31 3.698,32 4.283,33 4.445,34 3.695,35 3.604,36 5.655,37 3.527,38 4.053,39 4.244,40 3.255,41 3.29,42 5.353,43 3.197,44 3.667,45 3.87,46 2.637,47 2.84,48 4.931,49 2.748,50 3.116,51 3.344,52 1.849,53 2.36,54 4.1,55 2.191,56 0.079,57 0.426,58 5.828,59 2.81,60 13.236,61 2.54,62 0.254,63 0.687,64 7.975,65 4.473,66 40.381,67 4.533,68 0.196,69 0.898,70 12.932,71 6.418,72 30.267,73 6.658,74 0.229,75 0.939,76 14.666,77 6.48,78 32.644,79 6.147,80 0.358,81 0.884,82 15.449,83 6.384,84 48.277,85 6.073,86 0.249,87 0.677,88 15.472,89 5.816,90 37.312,91 5.837,92 0.224,93 0.441,94 9.558,95 3.64,96 39.597,97 3.619,98 0.088,99 0.248,100 4.507,101 2.034,102 14.304,103 2.489,104 5,105 35,106 0.315,107 0.555,108 0.706,109 0.853,110 0.889,111 0.889,112 3.062,113 0.998,114 -3.01,115 -3.01,116 -2.9,120 50,143 8,144 3,145 2,146 1,147 1,174 10,176 1,177 2,180 2,182 1,185 10,189 7,192 1,194 4,197 9,201 8,206 4,209 7,213 2,214 7,219 2,222 6,227 6,235 5,240 3,247 4,260 3,271 1,274 374,275 13.593,276 13.593,277 13.593,278 13.593,279 13.593,280 11.355,281 6.038,282 7.827,283 13.806,284 11.379,285 11.379,286 11.379,287 11.379,288 11.379,289 7.957,290 3.814,291 3.703,292 11.754,293 3.194,294 1.884,295 1.067,296 0.267,297 0.067,298 0.067,299 3.761,305 1,306 1,307 1,308 306,309 2.449,313 110.968,317 137.229,320 1.04,321 24.265,324 1,325 0.83,326 1,327 0.4,329 1,330 1,331 0.75,332 43,333 136,334 4.952,335 4.712,336 7.472,337 4.468,338 3.529,339 4.82,341 13.283,342 3.315,343 4.514,344 3.17,345 6.711,346 3.994,347 3.029,348 4.438,350 10.79,351 2.898,352 4.02,353 2.609,354 6.147,355 3.571,356 2.58,357 3.613,359 8.893,360 2.551,361 3.557,362 2.217,363 5.502,364 3.107,365 2.124,366 3.007,368 6.797,369 2.086,370 3.191,371 1.708,372 4.667,373 2.679,374 1.699,375 2.521,377 4.614,378 1.662,379 2.938,380 1.464,381 4.067,382 2.437,383 1.456,384 2.146,386 3.174,387 1.426,388 2.721,389 1.339,390 3.783,391 2.224,392 1.236,393 1.814,395 2.907,396 1.218,397 2.603,398 1.123,399 3.604,400 2.098,401 1.102,402 1.645,404 2.77,405 1.097,406 2.352,407 0.931,408 3.533,409 1.848,410 0.888,411 1.28,413 2.207,414 0.85,415 1.51,416 0.256,417 3.12,418 1.108,419 0.133,420 0.176,422 0.366,423 0.13,424 1.054,425 0.211,426 2.913,427 0.623,428 -0.346,429 -0.454,431 -0.897,432 -0.331,433 1,434 -0.473,435 2.516,436 0.297,437 -0.668,438 -0.941,440 -1.71,441 -0.634,442 0.793,443 -0.713,444 2.331,445 0.257,446 -0.727,447 -1.063,449 -1.939,450 -0.714,451 0.713,452 -0.857,453 2.107,454 0.091,455 -0.9,456 -1.323,458 -2.23,459 -0.89,460 0.586,461 -1,462 2,464 -1,465 -1.551,467 -3,468 -1,469 9.8,470 0.49,471 0.591,472 0.03,473 32.25,474 1.613,475 19.5,476 0.975,477 12.75,478 0.638,479 11.124,480 0.556,481 19.6,482 0.653,483 21.501,484 1.075,485 6.143,486 0.307,487 3.524,488 0.176,489 0.068,490 0.085,491 0.306,496 0.433,497 1.068,498 0.762,499 1.094,500 0.644,501 0.753,502 0.503,503 0.997,504 0.833,505 0.901,506 0.529,507 0.87,508 0.872,509 1.022,510 0.864,511 0.932,512 0.849,513 0.901,514 1.161,515 1.212,516 1.103,517 1.142,518 1.058,519 1.056,520 1.298,521 0.989,522 1.17,523 1.035,524 1.267,525 1.06,526 1.371,527 0.962,528 1.248,529 1.116,530 1.337,531 1.058,532 1.692,533 0.78,534 1.119,535 0.839,536 1.766,537 1.047,538 0.853,539 0.875,540 0.941,541 0.93,542 0.909,543 1.356,544 4,546 3.111,547 2,548 1.813,549 0.875,550 0.364,551 0.111,552 0.032,554 3425,555 10213,556 2.182,557 33.3,559 8,561 1,562 1,567 1.626,568 2.051,569 2.767,570 -0.271,572 1,574 1,575 51.384,576 1.713,577 3.023,578 3.84,579 4.64,580 4.84,581 4.84,582 2.246,583 4.022,584 4.299,585 2.83,586 537.651,587 7.384,588 5146.81,589 1,590 1,591 1,592 1,593 147.207,594 1.544,595 4.251,596 0.174,598 0.089,599 0.053,600 0.053,601 0.032,602 0.02,603 0.011,604 0.008,606 0.441,607 0.67,608 1,609 0.548,610 84.566,611 0.13,612 -0.068,613 0.232,614 -0.092,615 -0.169,616 0.054,617 0.315,618 -0.016,619 -0.035,620 -0.029,621 0.25,622 -0.079,623 -0.033,624 -0.058,625 0.04,626 0.002,627 -0.032,628 0.009,629 -0.144,630 -0.197,631 -0.099,632 -0.164,633 -0.067,634 -0.149,635 -0.08,636 0.031,637 -0.135,638 -0.042,639 -0.039,640 -0.105,641 -0.176,642 -0.017,643 -0.123,644 -0.053,645 -0.055,646 0.019,647 -0.347,648 0.127,649 -0.193,650 0.101,651 -0.289,652 0.018,653 -0.117,654 -0.035,655 -0.162,656 -0.07,657 -0.17,658 -0.229,659 4.454,660 5.341,661 0.9,662 10.57,663 1.016,664 1.1,665 1.775,666 3.151,667 0.754,668 3.178,669 3.584,670 3.932,671 4.29,672 4.625,673 4.745,674 4.905,675 5.056,676 5.17,677 5.056,678 4.103,679 0.726,680 282.34,681 3.178,682 4.762,683 5.659,684 6.594,685 7.514,686 8.454,687 9.381,688 10.322,689 11.252,690 12.194,691 6.7,696 1,701 1,708 2,709 9,710 1,714 4,716 17,738 30,739 19,740 2,741 23,743 33,744 15,745 15,746 6,747 6,752 4,753 10,768 15,772 2,776 1,778 2,785 1,786 1,789 10,790 4,791 1,792 5,793 1,797 2,803 0.25,804 2,816 1,823 4,827 3,855 1,857 1,862 20,866 1,871 1,886 6.7,889 2,893 9.75,894 5.45,895 4.181,896 1.714,898 3.823,899 1.515,900 1.104,901 2.254,902 11.244,903 3.541,904 4.277,905 4.922,906 5.606,907 6.267,908 6.663,909 7.168,910 7.647,911 8.108,912 8.322,913 0.8,914 38,915 7.602,917 3.644,918 7.921,919 14.022,921 12.343,924 2.421,925 48.417,926 0.001,929 105.94,930 106.061,931 33.191,933 44.313,935 5.807,936 100.253,937 150.253,938 33.191,941 81.617,942 89.275,943 24.443,945 94.169,947 105.94,948 133.444,949 44.313,950 5.807,952 105.94,953 44.313,956 11.192,957 89.062,958 38.998,960 105.94,961 77.503,962 106.061,964 5.807,965 105.94,966 15.396,967 84.857,968 16.405,969 61.098,970 105.94,971 77.503,972 106.061,973 0.599,974 0.363,975 0.212,976 0.125,977 21,978 8,981 3,982 1.333,983 3.126,984 171.611,985 0.333,986 18,987 84.439,992 1,993 11.593,994 3.888,995 1.612,996 1.58,997 77.503,998 16.297,999 4.306,1003 2.444,1005 16.405,1006 289.504,1007 33.5,1011 -3.537,1013 24.681,1020 30.469,1021 32.996,1022 0.349,1023 0.616,1024 0.783,1025 0.946,1026 0.986,1027 0.986,1028 4.798,1029 1.102,1030 5.707,1031 2.907,1032 4.263,1033 4.963,1035 6.653,1036 4.196,1037 6.083,1038 0.888,1039 7.352,1040 2.77,1041 4.111,1042 5.121,1044 7.984,1045 3.963,1046 7.471,1047 0.133,1048 9.114,1049 2.207,1050 6.028,1051 7.406,1053 11.1,1054 5.865,1055 8.905,1056 -0.346,1057 10.948,1058 0.366,1059 6.698,1060 8.373,1062 13.212,1063 6.435,1064 10.375,1065 -0.668,1066 12.825,1067 -0.897,1068 8.151,1069 10.184,1071 15.931,1072 7.864,1073 11.87,1074 -0.727,1075 14.731,1076 -1.71,1077 9.161,1078 11.487,1080 18.322,1081 8.779,1082 13.385,1083 -0.9,1084 16.656,1085 -1.939,1086 10.46,1087 13.13,1089 20.931,1090 10.037,1091 3.529,1092 -1,1093 18.596,1094 -2.23,1095 11.608,1096 14.574,1098 23.43,1099 11.101,1100 3.029,1101 13.283,1102 20.547,1103 -3,1104 12.86,1105 16.156,1107 26.01,1108 12.299,1109 2.58,1110 10.79,1111 22.506,1112 4.82,1113 14.064,1114 17.662,1116 28.554,1117 13.428,1118 2.124,1119 8.893,1120 24.472,1121 4.438,1122 15.306,1123 19.223,1125 31.129,1126 14.609,1127 1.699,1128 6.797,1129 26.444,1130 3.613,1131 16.535,1132 20.755,1134 33.693,1135 15.767,1136 1.456,1137 4.614,1138 28.421,1139 3.007,1140 17.779,1141 22.311,1143 36.269,1144 16.947,1145 1.236,1146 3.174,1147 30.403,1148 2.521,1149 19.019,1150 23.856,1152 38.843,1153 18.12,1154 3239,1155 5729,1156 15.603,1157 22.614,1158 35.583,1159 36.276,1160 36.344,1161 35.591,1162 35.55,1163 50.918,1165 111.6,1166 34.466,1167 5.836,1168 6.712,1169 7.156,1170 5.559,1171 5.529,1172 7.82,1174 21.486,1175 5.315,1176 7.026,1177 1.547,1178 1.577,1179 1.58,1180 1.547,1181 1.546,1182 2.214,1184 4.852,1185 1.499,1186 4.19,1187 4.19,1188 4.748,1189 4.165,1190 7.717,1191 4.119,1192 3.925,1193 3.93,1194 4.004,1195 3.883,1196 6.999,1197 3.85,1198 3.602,1199 3.588,1200 3.685,1201 3.531,1202 4.997,1203 3.45,1204 3.405,1205 3.441,1206 3.326,1207 3.325,1208 4.694,1209 3.315,1210 2.987,1211 3.033,1212 2.925,1213 2.862,1214 4.322,1215 2.862,1216 2.814,1217 2.867,1218 2.708,1219 2.716,1220 4.009,1221 2.71,1222 2.686,1223 2.748,1224 2.558,1225 2.563,1226 3.655,1227 2.544,1228 2.49,1229 2.555,1230 2.351,1231 2.347,1232 3.598,1233 2.331,1234 0.215,1235 0.205,1236 0.325,1237 0.194,1238 0.153,1239 4.952,1240 0.21,1241 4.712,1243 7.472,1244 0.578,1245 4.468,1246 0.144,1247 3.529,1248 4.82,1250 13.283,1251 3.315,1252 2.11,1253 2.105,1254 2.134,1255 2.175,1256 1.337,1257 2.188,1258 1.881,1259 1.871,1260 1.947,1261 1.954,1262 1.081,1263 1.975,1264 1.457,1265 1.469,1266 1.587,1267 1.607,1268 0.652,1269 1.644,1270 1.38,1271 1.365,1272 1.265,1273 1.502,1274 0.56,1275 1.531,1276 0.954,1277 0.912,1278 1.148,1279 1.115,1280 0.236,1281 1.13,1282 0.813,1283 0.769,1284 0.953,1285 0.974,1286 0.104,1287 0.999,1288 0.685,1289 0.633,1290 0.921,1291 0.871,1292 0.011,1293 0.902,1294 0.479,1295 0.423,1296 0.704,1297 0.699,1299 0.732,1300 3.85,1302 5.231,1304 6.841,1306 8.557,1308 10.33,1317 2.645,1326 21.767,1327 51.384,1328 90.677,1329 115.207,1330 139.207,1331 145.207,1332 145.207,1333 31.041,1334 7.421,1335 59.06,1336 67.44,1337 24,1338 12.69,1339 4.322,1340 3.524,1341 25.911,1342 51,1343 44,1344 0.273,1345 134.375,1346 222.89,1347 319.635,1348 15359,1350 13.742,1351 0.687,1352 0.559,1353 13.992,1354 11.185,1355 9.667,1356 0.42,1357 0.333,1358 6.238,1359 8.682,1360 5.993,1361 4.939,1362 10.488,1363 7.65,1364 9.361,1365 0.267,1366 0.18,1367 10.643,1368 6.316,1369 8.073,1370 0.161,1371 0.098,1372 9.135,1373 4.886,1374 7.332,1375 0.102,1376 0.054,1377 8.502,1378 3.896,1379 6.547,1380 0.065,1381 0.03,1382 7.792,1383 3.028,1384 0.396,1385 68.046,1386 0.253,1387 18.975,1388 0.854,1389 116,1390 338.309,1391 160.629,1392 354.051,1393 490.62,1394 326,1395 143,1396 344.568,1397 198.092,1398 388.016,1399 574.13,1400 365,1401 5.559}
{0 CHEMBL466179,1 1.723,2 9.556,3 2.601,4 6.767,5 101.604,6 8.051,7 0.357,8 3.983,9 4.072,10 3.748,11 3.485,12 5.117,13 3.461,14 4.53,15 4.687,16 4.051,17 3.835,18 5.896,19 3.802,20 4.667,21 4.806,22 4.096,23 3.974,24 5.972,25 3.931,26 4.832,27 4.982,28 4.069,29 3.964,30 6.319,31 3.94,32 4.664,33 4.805,34 4.046,35 3.941,36 5.94,37 3.902,38 4.812,39 4.977,40 4.085,41 3.926,42 6.177,43 3.906,44 4.775,45 4.951,46 3.866,47 3.879,48 6.002,49 3.827,50 4.689,51 4.883,52 3.866,53 3.843,54 5.765,55 3.742,56 0.149,57 0.699,58 12.133,59 4.897,60 19.497,61 5.592,62 0.747,63 1.049,64 21.531,65 7.679,66 73.926,67 9.121,68 0.479,69 1.203,70 30.157,71 10.355,72 46.635,73 11.254,74 1.244,75 1.236,76 30.243,77 9.53,78 179.619,79 10.862,80 0.468,81 1.173,82 22.608,83 9.023,84 68.537,85 10.744,86 0.886,87 1.236,88 30.33,89 9.909,90 83.153,91 11.79,92 0.908,93 1.165,94 28.25,95 9.054,96 120.366,97 10.629,98 0.497,99 1.186,100 26.923,101 8.882,102 54.274,103 11.423,104 89,105 40,106 0.292,107 0.625,108 0.751,109 0.767,110 0.767,111 0.767,112 3.34,113 1.045,114 -2.49,115 -2.52,116 -2.46,120 36.7,121 2,125 2,126 2,136 1,137 1,143 3,144 2,145 1,152 1,153 1,159 2,174 5,176 5,177 6,182 3,185 5,189 10,194 3,197 5,200 4,201 12,206 1,209 5,214 7,222 4,227 11,230 7,235 3,240 7,247 2,252 4,257 2,260 3,263 12,271 2,274 1122,275 17.479,276 17.479,277 17.479,278 17.479,279 17.479,280 15.719,281 14.693,282 10.174,283 18.109,284 13.656,285 13.656,286 13.656,287 13.656,288 13.656,289 10.623,290 12.241,291 4.558,292 14.44,293 3.891,294 1.926,295 1.179,296 1.082,297 1.082,298 1.082,299 3.995,306 1,307 1,308 513,309 5,312 66.659,313 76.666,316 120.443,320 1.457,321 48.669,324 1,325 1,326 0.83,327 0.8,328 0.5,329 1,330 1,331 0.88,332 61,333 258,334 4.929,335 4.722,336 7.619,337 4.417,338 3.493,339 4.796,340 1.674,341 13.303,342 3.21,343 4.538,344 3.82,345 6.573,346 4.077,347 3.09,348 4.434,349 1.674,350 10.43,351 3.037,352 4.255,353 3.42,354 6.355,355 3.868,356 2.88,357 3.68,358 0.4,359 9.544,360 2.832,361 3.434,362 3.049,363 5.333,364 3.015,365 2.032,366 2.784,368 6.048,369 1.994,370 3.372,371 2.295,372 5.101,373 2.975,374 2.026,375 2.524,377 5.517,378 1.891,379 3.226,380 2.035,381 4.894,382 2.778,383 1.824,384 2.491,386 5.288,387 1.732,388 2.765,389 1.821,390 4.208,391 2.286,392 1.341,393 1.838,395 3.536,396 1.264,397 2.554,398 1.808,399 3.861,400 2.166,401 1.248,402 1.488,404 2.818,405 1.135,406 2.454,407 1.464,408 3.758,409 2.06,410 1.101,411 1.375,413 2.609,414 1.048,415 2.13,416 1.406,417 3.256,418 1.877,419 0.914,420 1.006,422 1.643,423 0.863,424 2.085,425 1.124,426 2.915,427 1.708,428 0.738,429 1,431 1.423,432 0.71,433 1.97,434 0.687,435 2.889,436 1.412,437 0.409,438 0.598,440 0.862,441 0.404,442 1,443 0.292,444 2.732,445 0.556,446 -0.404,447 -0.473,449 -0.812,450 -0.381,451 0.952,452 0.238,453 2.245,454 0.395,455 -0.585,456 -0.657,458 -0.883,459 -0.563,460 0.703,461 0.077,462 2.13,463 0.385,464 -0.619,465 -0.814,467 -1.26,468 -0.605,469 12.633,470 0.468,471 0.869,472 0.032,473 32.5,474 1.204,475 15.5,476 0.574,477 17,478 0.63,479 22.926,480 0.849,481 31.167,482 0.636,483 29.665,484 1.099,485 6.598,486 0.244,487 6.119,488 0.227,489 0.264,490 0.066,491 0.309,496 0.641,497 1.536,498 0.813,499 1.411,500 0.632,501 1.077,502 0.758,503 0.823,504 0.742,505 0.731,506 0.546,507 0.718,508 1.037,509 1.287,510 1.361,511 1.442,512 0.818,513 1.024,514 1.434,515 0.828,516 1.047,517 0.767,518 1.766,519 0.903,520 1.03,521 1.302,522 0.869,523 1.155,524 1.17,525 1.138,526 1.096,527 1.051,528 0.965,529 1.067,530 1.042,531 1.002,532 1.551,533 0.919,534 1.052,535 0.793,536 1.418,537 0.984,538 0.753,539 1.406,540 1.004,541 1.398,542 0.72,543 1.394,544 7,545 0.157,546 4.667,547 2.354,548 1.408,549 1.309,550 0.889,551 0.514,552 0.465,553 0.291,554 7071,555 24754,556 1.884,557 44.9,559 14,560 1,562 1,564 6,567 1.707,568 1.696,569 3.246,570 -0.236,571 1,572 1,575 84.445,576 1.723,577 3.689,578 4.436,579 4.533,580 4.533,581 4.533,582 2.685,583 4.06,584 4.726,585 3.419,586 1199.94,587 8.239,588 15299.9,590 1,592 1,593 275.121,594 1.747,595 4.628,596 0.25,597 0.009,598 0.117,599 0.054,600 0.034,601 0.033,602 0.021,603 0.016,604 0.017,605 0.012,606 0.562,607 0.33,608 1,609 2.031,610 132.412,611 0.026,612 -0.263,613 0.202,614 -0.16,615 -0.113,616 -0.034,617 0.193,618 0.291,619 0.214,620 0.287,621 0.201,622 0.246,623 -0.12,624 -0.162,625 -0.126,626 -0.162,627 0.039,628 0.016,629 -0.123,630 0.151,631 -0.145,632 0.143,633 -0.18,634 0.004,635 -0.124,636 -0.245,637 -0.035,638 -0.159,639 -0.162,640 -0.151,641 0.024,642 -0.051,643 -0.028,644 -0.114,645 -0.004,646 -0.057,647 -0.357,648 0.031,649 -0.193,650 0.085,651 -0.263,652 -0.061,653 -0.033,654 -0.341,655 -0.102,656 -0.414,657 -0.085,658 -0.399,659 4.543,660 5.37,661 0.333,662 23.391,663 1.022,664 1.129,665 1.26,666 1.588,667 0.653,668 3.367,669 3.714,670 3.97,671 4.127,672 4.29,673 4.466,674 4.605,675 4.673,676 4.615,677 4.585,678 5.998,679 0.628,680 394.49,681 3.367,682 4.92,683 5.771,684 6.658,685 7.538,686 8.433,687 9.323,688 10.222,689 11.117,690 12.018,691 4.1,694 1,699 1,708 2,709 4,711 1,714 2,716 10,738 49,739 15,740 1,741 28,743 50,744 18,745 8,746 3,747 3,748 4,752 2,753 3,759 2,768 12,769 6,772 5,776 1,778 4,780 1,782 3,786 1,789 22,790 7,791 1,792 9,793 1,797 2,803 0.5,804 6,818 1,822 1,823 1,826 1,841 2,845 1,846 1,855 1,857 1,859 4,862 27,866 1,869 2,872 2,875 1,886 12.2,889 4,891 2,893 15.917,894 10.033,895 6.111,896 2.954,898 2.814,899 1.405,900 0.934,901 6.816,902 9.754,903 3.664,904 4.294,905 4.872,906 5.384,907 5.92,908 6.441,909 6.927,910 7.313,911 7.498,912 7.735,913 1,914 44,915 10.276,917 4.562,918 8.207,919 18.384,921 14.449,924 2.707,925 73.083,928 1,929 247.193,930 123.409,931 18.304,933 116.603,935 5.807,936 117.602,937 363.796,938 18.304,939 34.443,940 9.185,941 52.76,942 108.985,943 50.799,944 13.915,945 235.422,947 247.193,948 135.906,949 116.603,950 5.807,952 176.567,953 187.229,956 45.139,957 81.291,958 15.284,960 247.193,961 134.907,962 123.409,964 5.807,965 247.193,966 36.206,967 82.914,968 16.786,969 116.603,970 247.193,971 134.907,972 123.409,973 0.585,974 0.351,975 0.168,976 0.084,977 17,978 10,979 0.18,980 9,981 1,982 1.222,983 3.574,984 223.804,985 0.222,986 9,987 114.382,992 1,993 21.161,994 8.697,995 4.585,996 1.204,997 118.121,998 6.173,1000 2.986,1003 0.569,1005 16.786,1006 505.509,1007 38,1011 -3.626,1013 49.006,1015 1.334,1017 -1.87,1020 50.08,1021 55.325,1022 0.307,1023 0.657,1024 0.79,1025 0.807,1026 0.807,1027 0.807,1028 4.916,1029 1.248,1030 5.82,1031 3.536,1032 4.394,1033 4.98,1034 2.528,1035 6.718,1036 4.302,1037 6.182,1038 1.101,1039 7.46,1040 2.818,1041 4.29,1042 5.207,1044 8.048,1045 4.152,1046 7.558,1047 0.914,1048 9.22,1049 2.609,1050 6.125,1051 7.369,1052 3.481,1053 11.103,1054 5.938,1055 8.983,1056 0.738,1057 11.051,1058 1.643,1059 6.836,1060 8.411,1062 13.24,1063 6.584,1064 10.447,1065 0.409,1066 12.928,1067 1.423,1068 8.232,1069 10.144,1070 4.49,1071 15.918,1072 7.931,1073 11.937,1074 -0.404,1075 14.836,1076 0.862,1077 9.257,1078 11.492,1080 18.332,1081 8.879,1082 13.446,1083 -0.585,1084 16.768,1085 -0.812,1086 10.52,1087 13.094,1088 5.514,1089 20.92,1090 10.084,1091 3.493,1092 -0.619,1093 18.718,1094 -0.883,1095 11.663,1096 14.558,1098 23.433,1099 11.146,1100 3.09,1101 13.303,1102 20.682,1103 -1.26,1104 12.889,1105 16.118,1106 6.542,1107 26.004,1108 12.305,1109 2.88,1110 10.43,1111 22.656,1112 4.796,1113 14.08,1114 17.629,1116 28.555,1117 13.411,1118 2.032,1119 9.544,1120 24.639,1121 4.434,1122 15.3,1123 19.178,1124 7.572,1125 31.128,1126 14.555,1127 2.026,1128 6.048,1129 26.63,1130 3.68,1131 16.511,1132 20.71,1134 33.697,1135 15.68,1136 1.824,1137 5.517,1138 28.627,1139 2.784,1140 17.735,1141 22.257,1142 8.603,1143 36.275,1144 16.821,1145 1.341,1146 5.288,1147 30.629,1148 2.524,1149 18.957,1150 23.798,1152 38.852,1153 17.956,1154 7436,1155 14048,1156 17.107,1157 32,1158 42.854,1159 45.025,1160 44.954,1161 42.22,1162 42.195,1163 56.024,1164 7.498,1165 126.044,1166 40.237,1167 5.812,1168 6.722,1169 7.39,1170 5.474,1171 5.493,1172 7.796,1173 3.349,1174 21.01,1175 5.21,1176 18.848,1177 1.531,1178 1.608,1179 1.605,1180 1.508,1181 1.507,1182 2.001,1183 0.268,1184 4.502,1185 1.437,1186 4.183,1187 4.193,1188 4.742,1189 4.143,1190 7.715,1191 4.105,1192 3.902,1193 3.884,1194 4.045,1195 3.831,1196 7.448,1197 3.752,1198 3.725,1199 3.73,1200 3.695,1201 3.539,1202 7.417,1203 3.56,1204 3.51,1205 3.566,1206 3.357,1207 3.275,1208 6.999,1209 3.274,1210 3.405,1211 3.476,1212 3.243,1213 3.241,1214 4.958,1215 3.226,1216 3.316,1217 3.387,1218 3.149,1219 3.12,1220 4.505,1221 3.118,1222 3.105,1223 3.125,1224 3.041,1225 2.94,1226 4.434,1227 2.908,1228 2.956,1229 3.009,1230 2.859,1231 2.711,1232 4.257,1233 2.7,1234 0.176,1235 0.169,1236 0.272,1237 0.158,1238 0.125,1239 4.929,1240 0.171,1241 4.722,1242 0.06,1243 7.619,1244 0.475,1245 4.417,1246 0.115,1247 3.493,1248 4.796,1249 1.674,1250 13.303,1251 3.21,1252 1.999,1253 2.005,1254 2.009,1255 2.061,1256 1.248,1257 2.091,1258 1.716,1259 1.713,1260 1.835,1261 1.89,1262 0.958,1263 1.868,1264 1.598,1265 1.581,1266 1.8,1267 1.813,1268 0.937,1269 1.827,1270 1.478,1271 1.417,1272 1.752,1273 1.738,1274 0.917,1275 1.756,1276 1.476,1277 1.409,1278 1.737,1279 1.703,1280 0.822,1281 1.72,1282 1.291,1283 1.234,1284 1.442,1285 1.521,1286 0.507,1287 1.52,1288 1.135,1289 1.102,1290 1.417,1291 1.324,1292 0.469,1293 1.355,1294 0.934,1295 0.804,1296 1.137,1297 1.239,1298 0.374,1299 1.308,1300 4.043,1302 5.38,1303 2.398,1304 6.913,1305 4.727,1306 8.535,1307 6.823,1308 10.204,1310 6.143,1315 0.212,1318 9.842,1321 1.11,1326 30.787,1327 84.445,1328 180.756,1329 217.346,1330 222.101,1331 222.101,1332 222.101,1333 89.455,1334 6.94,1335 105.77,1336 114.15,1337 11,1338 12.54,1339 4,1340 3.459,1341 58.034,1342 96,1343 94,1344 0.301,1345 196.851,1346 348.21,1347 472.076,1348 8011,1350 20.19,1351 0.748,1352 0.608,1353 20.44,1354 16.422,1355 12.717,1356 0.454,1357 0.348,1358 8.265,1359 11.161,1360 7.839,1361 6.575,1362 13.505,1363 9.755,1364 11.679,1365 0.292,1366 0.197,1367 13.082,1368 7.89,1369 9.627,1370 0.185,1371 0.107,1372 11.028,1373 5.565,1374 7,1375 0.115,1376 0.054,1377 7.683,1378 3.315,1379 4.98,1380 0.069,1381 0.03,1382 5.564,1383 2.145,1384 0.461,1385 89.334,1386 0.242,1387 25.474,1388 0.857,1389 136,1390 521.252,1391 195.399,1392 503.398,1393 662.95,1394 462,1395 160,1396 440.483,1397 222.466,1398 478.494,1399 699.92,1400 445,1401 4.344}
{0 CHEMBL467987,1 1.273,2 7.619,3 3.545,4 12.569,5 81.312,6 6.409,7 0.25,8 3.902,9 4.014,10 3.336,11 3.462,12 4.867,13 3.409,14 4.528,15 4.693,16 3.806,17 3.995,18 5.381,19 3.911,20 4.972,21 5.179,22 3.98,23 4.265,24 5.891,25 4.141,26 5.169,27 5.422,28 3.798,29 4.303,30 5.942,31 4.118,32 5.137,33 5.446,34 3.578,35 4.13,36 5.805,37 3.91,38 4.847,39 5.144,40 3.331,41 3.782,42 5.671,43 3.593,44 4.466,45 4.745,46 3.042,47 3.398,48 5.407,49 3.241,50 4.068,51 4.321,52 2.776,53 2.975,54 5.136,55 2.859,56 0.07,57 0.596,58 11.164,59 5.101,60 12.281,61 6.651,62 0.08,63 1.095,64 20.805,65 9.484,66 16.776,67 12.75,68 0.297,69 1.587,70 33.021,71 13.775,72 55.191,73 18.92,74 0.36,75 1.816,76 40.399,77 15.848,78 57.265,79 22.247,80 0.329,81 1.666,82 38.951,83 14.693,84 49.028,85 21.289,86 0.35,87 1.192,88 29.738,89 10.335,90 52.206,91 14.757,92 0.275,93 0.799,94 20.531,95 6.835,96 44.461,97 9.602,98 0.174,99 0.524,100 13.873,101 4.413,102 31.025,103 6.095,104 17,105 38,106 0.224,107 0.541,108 0.757,109 0.856,110 0.887,111 0.895,112 3.106,113 1.029,114 -4.3,115 -4.23,116 -4,120 40,121 1,122 6,123 3,124 1,128 1,143 2,144 2,145 2,174 16,182 4,185 24,193 1,194 8,197 27,206 6,209 19,219 7,222 11,232 7,235 6,245 6,247 2,257 5,268 1,269 2,274 434,275 13.911,276 13.911,277 13.911,278 13.911,279 13.911,280 13.106,281 11.997,282 7.573,283 14.008,284 11.761,285 11.761,286 11.761,287 11.761,288 11.761,289 10.529,290 8.973,291 3.512,292 11.967,293 4.219,294 2.424,295 1.199,296 0.639,297 0.461,298 0.417,299 3.798,305 1,306 1,307 1,308 355,309 2.646,312 29.683,313 92.736,316 48.334,317 102.641,320 1.256,321 24.439,322 1,323 1,324 1,325 0.83,326 1,327 1,328 1,329 1,330 1,331 0.98,332 45,333 160,334 4.647,335 3.685,336 7.865,337 4.629,338 3.635,339 4.093,341 14.565,342 3.614,343 4.41,344 3.341,345 6.755,346 4.123,347 3.131,348 3.62,350 11.015,351 3.106,352 3.87,353 2.896,354 6.091,355 3.62,356 2.654,357 3.166,359 8.617,360 2.559,361 3.397,362 2.401,363 5.731,364 3.183,365 2.204,366 2.519,368 7.285,369 2.146,370 3.111,371 2.143,372 5.224,373 2.931,374 1.935,375 2.241,377 5.828,378 1.927,379 2.718,380 1.856,381 4.803,382 2.638,383 1.668,384 1.728,386 4.506,387 1.614,388 2.567,389 1.66,390 4.498,391 2.393,392 1.424,393 1.571,395 4.166,396 1.374,397 2.263,398 1.362,399 3.987,400 2.174,401 1.198,402 1.254,404 3.094,405 1.165,406 1.806,407 0.903,408 3.543,409 1.745,410 0.764,411 0.784,413 1.86,414 0.746,415 1.311,416 0.42,417 3.124,418 1.098,419 0.161,420 0.177,422 0.388,423 0.149,424 0.997,425 0.092,426 2.89,427 0.855,428 -0.12,429 -0.127,431 -0.313,432 -0.116,433 0.79,434 -0.049,435 2.632,436 0.669,437 -0.294,438 -0.308,440 -0.784,441 -0.281,442 0.555,443 -0.485,444 2.599,445 0.29,446 -0.678,447 -0.808,449 -1.868,450 -0.648,451 0.181,452 -0.589,453 2.445,454 0.015,455 -0.931,456 -1.004,458 -2.543,459 -0.877,460 -0.126,461 -0.961,462 2.182,463 -0.185,464 -1.151,465 -1.167,467 -3.137,468 -1.088,469 10,470 0.476,471 0.754,472 0.036,473 19.75,474 0.94,475 7,476 0.333,477 12.75,478 0.607,479 24.86,480 1.184,481 24.2,482 0.538,483 10.87,484 0.518,485 2.723,486 0.13,487 7.281,488 0.347,489 0.15,490 0.05,491 0.4,496 0.963,497 1.019,498 0.971,499 1.015,500 0.977,501 0.997,502 0.56,503 1.117,504 0.885,505 1.113,506 0.526,507 1.055,508 0.647,509 1.186,510 1.012,511 1.189,512 0.611,513 1.157,514 0.842,515 1.142,516 1.134,517 1.156,518 0.836,519 1.182,520 0.587,521 0.938,522 0.845,523 0.943,524 0.597,525 0.932,526 1.081,527 0.862,528 0.922,529 0.859,530 1.101,531 0.867,532 1.416,533 0.867,534 1,535 0.858,536 1.447,537 0.869,538 1.664,539 1.074,540 1.063,541 1.043,542 1.706,543 0.978,544 5.5,546 4.444,547 2.229,548 1.924,549 0.802,550 0.584,551 0.312,552 0.193,553 0.06,554 3927,555 8490,556 2.114,557 53.3,558 16,559 3,562 3,564 2,567 1.636,568 1.924,569 2.918,570 0.968,572 1,574 1,575 57.281,576 1.273,577 3.068,578 4.292,579 4.853,580 5.031,581 5.075,582 2.429,583 4.202,584 4.367,585 2.996,586 629.115,587 7.502,588 6196.32,590 1,592 1,593 247.133,594 1.726,595 4.292,596 0.229,598 0.117,599 0.053,600 0.06,601 0.032,602 0.031,603 0.022,604 0.019,605 0.012,606 0.576,607 0.67,608 1,609 0.665,610 91.302,611 -0.112,612 0.198,613 0.018,614 0.189,615 -0.104,616 0.131,617 0.007,618 0.039,619 0.055,620 0.043,621 0.047,622 0.054,623 0.074,624 -0.115,625 -0.062,626 -0.117,627 0.114,628 -0.11,629 -0.076,630 -0.148,631 -0.188,632 -0.157,633 -0.074,634 -0.184,635 0.04,636 -0.018,637 0.076,638 -0.007,639 0.01,640 0.033,641 -0.048,642 0.038,643 0.056,644 0.045,645 -0.076,646 0.062,647 -0.107,648 0.034,649 0.017,650 0.039,651 -0.134,652 0.045,653 -0.087,654 -0.168,655 -0.006,656 -0.149,657 -0.114,658 -0.077,659 1.663,660 4.377,661 0.81,662 12.698,663 0.991,664 1.125,665 3.067,666 9.406,667 0.633,668 3.219,669 3.664,670 4.043,671 4.344,672 4.644,673 4.82,674 5.017,675 5.209,676 5.333,677 5.308,678 4.475,679 0.588,680 288.42,681 3.219,682 4.828,683 5.746,684 6.686,685 7.621,686 8.564,687 9.504,688 10.449,689 11.391,690 12.337,709 2,714 4,716 6,734 2,738 45,739 6,740 1,741 24,743 48,744 18,745 6,746 4,747 2,752 4,753 10,759 1,760 1,762 1,763 7,764 3,766 7,768 6,769 12,770 3,785 1,786 1,789 24,790 3,791 3,792 3,803 0.25,804 3,806 1,822 1,823 3,826 1,827 2,853 1,855 1,859 1,862 21,868 3,869 6,874 4,876 1,886 6.7,887 1,888 2,893 10.917,894 7.85,895 4.347,896 3.014,898 1.227,899 1.163,900 0.883,901 2.977,902 8.764,903 3.332,904 3.922,905 4.446,906 4.912,907 5.405,908 5.624,909 5.864,910 6.165,911 6.462,912 6.581,913 1,914 42,915 7.902,917 3.668,918 7.702,919 15.702,921 14.921,924 2.202,925 46.25,926 0.001,929 247.193,930 49.356,933 128.05,936 49.356,937 375.243,939 8.825,940 15.207,941 61.636,942 85.367,943 6.371,945 247.193,947 247.193,948 49.356,949 128.05,952 223.651,953 108.909,954 42.683,956 24.032,957 25.324,960 247.193,961 128.05,962 49.356,965 247.193,966 21.578,967 27.778,969 128.05,970 247.193,971 128.05,972 49.356,973 0.619,974 0.388,975 0.199,976 0.11,977 23,978 10,981 3,982 1.353,983 3.164,984 183.967,985 0.353,986 17,987 92.239,993 13.745,994 4.548,995 1.841,997 128.05,998 3.535,1003 2.456,1005 128.05,1006 424.599,1007 27,1020 44.585,1021 50.611,1022 0.232,1023 0.559,1024 0.782,1025 0.884,1026 0.916,1027 0.924,1028 4.687,1029 1.198,1030 5.82,1031 4.166,1032 4.344,1033 4.605,1035 6.795,1036 4.312,1037 5.911,1038 0.764,1039 7.498,1040 3.094,1041 4.29,1042 4.635,1044 8.21,1045 4.24,1046 7.272,1047 0.161,1048 9.29,1049 1.86,1050 6.151,1051 6.721,1053 11.345,1054 6.104,1055 8.664,1056 -0.12,1057 11.15,1058 0.388,1059 6.899,1060 7.502,1062 13.586,1063 6.84,1064 10.09,1065 -0.294,1066 13.055,1067 -0.313,1068 8.327,1069 9.166,1071 16.355,1072 8.27,1073 11.538,1074 -0.678,1075 14.994,1076 -0.784,1077 9.395,1078 10.256,1080 18.88,1081 9.331,1082 13.002,1083 -0.931,1084 16.957,1085 -1.868,1086 10.697,1087 11.769,1089 21.566,1090 10.633,1091 3.635,1092 -1.151,1093 18.939,1094 -2.543,1095 11.888,1096 13.001,1098 24.186,1099 11.819,1100 3.131,1101 14.565,1102 20.937,1103 -3.137,1104 13.159,1105 14.451,1107 26.857,1108 13.087,1109 2.654,1110 11.015,1111 22.946,1112 4.093,1113 14.398,1114 15.755,1116 29.511,1117 14.322,1118 2.204,1119 8.617,1120 24.965,1121 3.62,1122 15.666,1123 17.176,1125 32.182,1126 15.586,1127 1.935,1128 7.285,1129 26.992,1130 3.166,1131 16.926,1132 18.52,1134 34.849,1135 16.841,1136 1.668,1137 5.828,1138 29.025,1139 2.519,1140 18.197,1141 19.929,1143 37.522,1144 18.108,1145 1.424,1146 4.506,1147 31.063,1148 2.241,1149 19.467,1150 21.296,1152 40.195,1153 19.374,1154 3768,1155 5588,1156 15.72,1157 28.5,1158 37.702,1159 38.051,1160 39.991,1161 37.569,1162 37.546,1163 42.308,1165 122.646,1166 36.798,1167 5.647,1168 5.685,1169 7.144,1170 5.629,1171 5.635,1172 7.093,1174 22.924,1175 5.614,1176 10.894,1177 1.571,1178 1.585,1179 1.666,1180 1.565,1181 1.564,1182 1.763,1184 5.11,1185 1.533,1186 4.105,1187 4.136,1188 4.028,1189 4.038,1190 6.53,1191 4.032,1192 3.878,1193 3.903,1194 3.805,1195 3.797,1196 6.448,1197 3.794,1198 3.505,1199 3.545,1200 3.388,1201 3.369,1202 6.402,1203 3.366,1204 3.393,1205 3.467,1206 3.206,1207 3.259,1208 4.557,1209 3.236,1210 3.153,1211 3.242,1212 2.952,1213 3,1214 4.264,1215 2.976,1216 3.003,1217 3.068,1218 2.839,1219 2.812,1220 3.804,1221 2.802,1222 2.891,1223 2.939,1224 2.719,1225 2.693,1226 3.775,1227 2.691,1228 2.792,1229 2.846,1230 2.603,1231 2.546,1232 3.668,1233 2.545,1234 0.194,1235 0.154,1236 0.328,1237 0.193,1238 0.151,1239 4.647,1240 0.171,1241 3.685,1243 7.865,1244 0.607,1245 4.629,1246 0.151,1247 3.635,1248 4.093,1250 14.565,1251 3.614,1252 2.048,1253 2.022,1254 2.179,1255 2.133,1256 1.618,1257 2.149,1258 1.782,1259 1.754,1260 1.931,1261 1.9,1262 1.257,1263 1.909,1264 1.603,1265 1.551,1266 1.838,1267 1.776,1268 1.177,1269 1.798,1270 1.396,1271 1.339,1272 1.651,1273 1.586,1274 0.947,1275 1.61,1276 1.294,1277 1.228,1278 1.595,1279 1.488,1280 0.825,1281 1.527,1282 0.996,1283 0.927,1284 1.331,1285 1.243,1286 0.611,1287 1.274,1288 0.883,1289 0.799,1290 1.239,1291 1.147,1292 0.43,1293 1.175,1294 0.718,1295 0.672,1296 1.02,1297 1.023,1298 0.188,1299 1.012,1300 3.892,1302 5.303,1303 2.398,1304 6.929,1305 4.844,1306 8.652,1307 7.034,1308 10.426,1310 2.273,1314 29.947,1315 6.366,1320 1.578,1322 0.095,1326 26.466,1327 57.281,1328 138.058,1329 193.159,1330 218.379,1331 226.379,1332 228.379,1333 41.65,1334 7.537,1335 60.69,1336 60.69,1337 23,1338 12.829,1339 2.807,1340 2,1341 27.893,1342 58,1343 53,1344 0.257,1345 157.066,1346 278.07,1347 375,1348 17077,1350 14.776,1351 0.704,1352 0.598,1353 14.776,1354 12.548,1355 10.004,1356 0.417,1357 0.343,1358 8.185,1359 9.805,1360 7.98,1361 6.499,1362 10.004,1363 8.233,1364 9.884,1365 0.26,1366 0.2,1367 9.884,1368 7.593,1369 9.283,1370 0.166,1371 0.121,1372 9.283,1373 6.77,1374 7.528,1375 0.099,1376 0.073,1377 7.528,1378 5.569,1379 6.424,1380 0.062,1381 0.042,1382 6.424,1383 4.377,1384 0.38,1385 61.755,1386 0.252,1387 19.937,1388 0.78,1389 124,1390 258.449,1391 130.311,1392 252.071,1393 344.54,1394 234,1395 156,1396 253.333,1397 162.423,1398 258.586,1399 385.75,1400 245,1401 5.39}
{0 CHEMBL482116,1 1.868,2 10.2,3 3.142,4 9.872,5 78.198,6 9.334,7 0.524,8 3.552,9 3.647,10 3.353,11 3.162,12 4.881,13 3.129,14 3.978,15 4.096,16 3.712,17 3.507,18 5.434,19 3.451,20 4.124,21 4.264,22 3.671,23 3.469,24 5.492,25 3.413,26 4.141,27 4.344,28 3.383,29 3.231,30 5.487,31 3.209,32 3.928,33 4.154,34 3.15,35 3.015,36 5.21,37 2.979,38 3.656,39 3.808,40 3.225,41 2.955,42 5.145,43 2.93,44 3.656,45 3.813,46 3.138,47 2.972,48 5.073,49 2.92,50 3.625,51 3.792,52 3.069,53 3.014,54 4.881,55 2.909,56 0.165,57 0.472,58 4.222,59 2.718,60 6.706,61 2.847,62 0.284,63 0.696,64 8.633,65 4.496,66 46.244,67 4.771,68 0.288,69 0.781,70 14.662,71 5.579,72 28.223,73 5.577,74 0.379,75 0.721,76 13.16,77 4.691,78 49.736,79 5.377,80 0.392,81 0.592,82 13.239,83 3.928,84 54.892,85 4.16,86 0.278,87 0.464,88 7.544,89 2.978,90 32.978,91 2.984,92 0.307,93 0.451,94 7.494,95 3.007,96 36.862,97 2.903,98 0.248,99 0.446,100 10.016,101 3.673,102 34.263,103 3.602,104 18,105 28,106 0.348,107 0.67,108 0.764,109 0.833,110 0.833,111 0.833,112 3.055,113 0.931,114 -3.92,115 -3.88,116 -3.68,120 41.9,121 1,143 6,144 2,153 1,154 1,156 1,159 1,167 2,170 1,174 8,176 1,177 3,180 1,182 1,185 10,188 1,189 10,194 2,197 5,201 7,206 4,209 1,213 1,214 3,219 2,226 2,227 4,230 1,232 1,235 2,240 2,243 2,247 5,251 1,252 1,260 6,263 2,264 4,271 4,274 482,275 13.137,276 13.137,277 13.137,278 13.137,279 13.137,280 11.189,281 12.134,282 7.806,283 13.417,284 10.328,285 10.328,286 10.328,287 10.328,288 10.328,289 7.422,290 9.531,291 3.697,292 10.79,293 3.086,294 1.352,295 0.847,296 0.476,297 0.476,298 0.476,299 3.711,305 1,306 1,307 1,308 421,309 3.317,312 63.876,313 74.72,320 1.52,321 25.054,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 44.5,333 204,334 4.311,335 3.782,336 6.026,337 3.822,338 2.854,339 4.026,340 2.612,341 8.579,342 2.828,343 4.18,344 3.551,345 5.998,346 3.746,347 2.808,348 3.757,349 0.98,350 8.549,351 2.549,352 3.752,353 2.648,354 5.206,355 3.295,356 2.3,357 3.204,359 6.383,360 2.292,361 3.651,362 2.587,363 5.021,364 3.173,365 2.224,366 3.012,368 6.017,369 2.088,370 3.043,371 1.959,372 4.175,373 2.527,374 1.547,375 2.151,377 3.848,378 1.511,379 2.791,380 1.874,381 3.715,382 2.183,383 1.198,384 1.812,386 2.824,387 1.171,388 2.5,389 1.38,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.442,398 1,399 3.254,400 1.792,401 0.808,402 1.232,404 1.837,405 0.784,406 2.166,407 1,408 3.193,409 1.533,410 0.655,411 0.985,413 1.591,414 0.557,415 1.157,416 0.723,417 2.51,418 0.818,419 -0.149,420 -0.185,422 -0.341,423 -0.143,424 1.108,425 0.486,426 2,427 0.667,428 -0.352,429 -0.467,431 -0.774,432 -0.357,433 1,434 0.095,435 1.92,437 -1,438 -1.408,440 -2,441 -1,442 0.5,443 -0.66,444 1.769,446 -1,447 -1.5,449 -2.809,450 -1,451 0.293,452 -0.864,453 1.562,454 -0.114,455 -1.092,456 -1.595,458 -3,459 -1.023,460 0.091,461 -1,462 1.342,463 -0.241,464 -1.234,465 -1.713,467 -3.034,468 -1.208,469 9.533,470 0.477,471 0.527,472 0.026,473 28,474 1.4,475 16,476 0.8,477 12,478 0.6,479 12.086,480 0.604,481 21.067,482 0.68,483 18.702,484 0.935,485 5.727,486 0.286,487 3.832,488 0.192,489 0.157,491 0.304,496 0.376,497 0.844,498 0.662,499 0.764,500 0.503,501 0.801,502 0.473,503 1.038,504 0.764,505 0.937,506 0.446,507 0.9,508 0.715,509 1.452,510 1.202,511 1.548,512 0.697,513 1.299,514 1.113,515 1.234,516 0.742,517 0.945,518 1.047,519 1.043,520 1.292,521 0.782,522 0.935,523 0.665,524 1.158,525 0.73,526 0.895,527 0.866,528 0.817,529 0.91,530 0.987,531 0.933,532 1.185,533 0.707,534 0.959,535 0.695,536 1.246,537 0.858,538 0.961,539 0.732,540 1.343,541 1.023,542 1.027,543 0.937,544 4.5,545 0.079,546 2.444,547 1.097,548 0.837,549 0.455,550 0.264,551 0.178,552 0.132,553 0.141,554 4066,555 15358,556 1.966,557 35.5,558 3,559 6,561 1,562 1,567 1.609,568 1.818,569 3.338,570 -0.173,572 1,574 1,575 57.911,576 1.868,577 3.602,578 4.107,579 4.478,580 4.478,581 4.478,582 2.746,583 3.684,584 4.296,585 3.48,586 661.255,587 7.294,588 7155.01,589 1,590 1,591 1,592 1,593 153.58,594 1.485,595 4.237,596 0.214,597 0.008,598 0.087,599 0.044,600 0.042,601 0.028,602 0.017,603 0.012,604 0.009,605 0.011,606 0.472,607 0.5,608 1,609 0.897,610 91.363,611 0.225,612 0.267,613 0.053,614 0.146,615 -0.016,616 0.043,617 0.209,618 0.001,619 0.131,620 0.072,621 0.192,622 0.031,623 0.055,624 -0.432,625 -0.121,626 -0.463,627 0.026,628 -0.328,629 -0.129,630 -0.332,631 0.069,632 -0.143,633 -0.085,634 -0.068,635 -0.233,636 0.185,637 0.05,638 0.22,639 -0.156,640 0.265,641 0.114,642 0.151,643 0.08,645 0.003,646 -0.03,647 -0.102,648 0.286,649 -0.042,650 0.234,651 -0.153,652 0.06,653 -0.086,654 0.259,655 -0.133,656 0.146,657 -0.146,658 0.107,659 2.465,660 4.73,661 0.55,662 15.42,663 1.029,664 1.119,665 2.695,666 7.263,667 0.712,668 3.091,669 3.367,670 3.526,671 3.638,672 3.714,673 3.664,674 3.434,675 3.401,676 3.497,677 3.555,678 6.05,679 0.694,680 289.34,681 3.091,682 4.595,683 5.398,684 6.232,685 7.054,686 7.888,687 8.714,688 9.548,689 10.376,690 11.21,691 9.7,698 1,700 1,702 1,709 6,713 1,714 4,716 11,731 1,738 31,739 15,740 1,741 21,743 32,744 13,745 10,746 2,747 4,748 2,752 2,753 2,755 1,759 1,768 12,769 1,772 4,775 1,778 3,780 1,781 1,782 1,785 1,786 1,789 11,790 5,791 1,792 7,793 1,797 3,803 1,804 3,822 1,823 1,855 2,857 1,859 1,862 20,871 1,880 1,886 9.7,889 1,892 2,893 11,894 5.9,895 4.472,896 1.65,898 2.636,899 1.43,900 0.949,901 4.586,902 8.76,903 3.45,904 4.021,905 4.501,906 4.966,907 5.313,908 5.512,909 5.398,910 5.495,911 5.892,912 6.195,913 0.857,914 25,915 7.32,917 3.044,918 8.233,919 13.319,921 10.264,924 2.733,925 54.667,929 117.711,930 119.372,931 40.221,933 75.892,935 31.278,936 88.094,937 193.603,938 40.221,939 14.495,940 17.888,941 56.857,942 50.668,943 23.964,944 1.358,945 137.218,946 50.747,947 117.711,948 128.315,949 75.892,950 31.278,952 117.711,953 25.145,954 50.747,956 44.306,957 69.292,958 14.717,959 31.278,960 117.711,961 116.113,962 119.372,965 117.711,966 44.641,967 80.4,968 17.888,969 92.555,970 117.711,971 116.113,972 119.372,973 0.579,974 0.322,975 0.15,976 0.078,977 12,978 6,979 0.125,980 4,982 1,983 3.321,984 133.883,986 11,987 80.439,989 1,993 14.346,994 6.393,995 3.963,997 110.443,998 10.049,1002 0.991,1003 2.207,1005 17.888,1006 353.196,1007 30.5,1010 -0.465,1013 32.751,1015 1.379,1016 3.776,1017 -0.327,1020 31.898,1021 34.704,1022 0.377,1023 0.727,1024 0.829,1025 0.904,1026 0.904,1027 0.904,1028 4.642,1029 0.808,1030 5.371,1031 2.275,1032 4.043,1033 4.705,1034 2.648,1035 6.094,1036 3.963,1037 5.855,1038 0.655,1039 6.889,1040 1.837,1041 3.611,1042 4.511,1043 2.361,1044 6.849,1045 3.492,1046 7.151,1047 -0.149,1048 8.502,1049 1.591,1050 5.565,1051 6.87,1052 4.183,1053 9.833,1054 5.402,1055 8.482,1056 -0.352,1057 10.168,1058 -0.341,1059 5.916,1060 7.483,1061 4.506,1062 11.379,1063 5.703,1064 9.839,1065 -1,1066 11.868,1067 -0.774,1068 7.347,1069 9.294,1070 5.953,1071 13.855,1072 7.105,1073 11.215,1074 -1,1075 13.589,1076 -2,1077 8.047,1078 10.271,1079 6.556,1080 15.726,1081 7.754,1082 12.604,1083 -1.092,1084 15.326,1085 -2.809,1086 9.261,1087 11.853,1088 7.795,1089 18.012,1090 8.945,1091 2.854,1092 -1.234,1093 17.075,1094 -3,1095 10.129,1096 13.012,1097 8.548,1098 20.031,1099 9.768,1100 2.808,1101 8.579,1102 18.832,1103 -3.034,1104 11.246,1105 14.489,1106 9.67,1107 22.238,1108 10.864,1109 2.3,1110 8.549,1111 20.595,1112 4.026,1113 12.199,1114 15.744,1115 10.509,1116 24.326,1117 11.778,1118 2.224,1119 6.383,1120 22.363,1121 3.757,1122 13.273,1123 17.17,1124 11.563,1125 26.499,1126 12.831,1127 1.547,1128 6.017,1129 24.136,1130 3.204,1131 14.268,1132 18.478,1133 12.452,1134 28.618,1135 13.795,1136 1.198,1137 3.848,1138 25.911,1139 3.012,1140 15.322,1141 19.879,1142 13.468,1143 30.777,1144 14.829,1145 1,1146 2.824,1147 27.69,1148 2.151,1149 16.339,1150 21.218,1151 14.386,1152 32.911,1153 15.821,1154 4110,1155 8177,1156 13.523,1157 22.074,1158 31.53,1159 32.782,1160 32.006,1161 30.742,1162 30.788,1163 43.357,1164 7.184,1165 83.804,1166 29.56,1167 5.091,1168 5.782,1169 5.577,1170 4.925,1171 4.854,1172 7.026,1173 4.612,1174 14.488,1175 4.828,1176 11.245,1177 1.501,1178 1.561,1179 1.524,1180 1.464,1181 1.466,1182 2.065,1183 0.342,1184 3.991,1185 1.408,1186 3.981,1187 3.998,1188 4.28,1189 3.942,1190 7.815,1191 3.892,1192 3.925,1193 3.943,1194 3.882,1195 3.871,1196 7.429,1197 3.849,1198 3.534,1199 3.584,1200 3.522,1201 3.23,1202 6.999,1203 3.271,1204 3.376,1205 3.402,1206 3.368,1207 3.045,1208 4.801,1209 3.111,1210 3.106,1211 3.189,1212 3.002,1213 2.791,1214 4.7,1215 2.853,1216 2.854,1217 2.925,1218 2.691,1219 2.735,1220 4.413,1221 2.715,1222 2.854,1223 2.909,1224 2.687,1225 2.593,1226 3.845,1227 2.612,1228 2.349,1229 2.452,1230 2.682,1231 2.276,1232 3.674,1233 2.133,1234 0.205,1235 0.18,1236 0.287,1237 0.182,1238 0.136,1239 4.311,1240 0.192,1241 3.782,1242 0.124,1243 6.026,1244 0.409,1245 3.822,1246 0.135,1247 2.854,1248 4.026,1249 2.612,1250 8.579,1251 2.828,1252 1.926,1253 1.901,1254 2.042,1255 2.014,1256 1.139,1257 2.023,1258 1.578,1259 1.544,1260 1.7,1261 1.916,1262 0.753,1263 1.807,1264 1.534,1265 1.529,1266 1.574,1267 1.731,1268 0.643,1269 1.715,1270 1.31,1271 1.27,1272 1.461,1273 1.508,1274 0.621,1275 1.519,1276 1.016,1277 0.934,1278 1.201,1279 1.325,1280 0.218,1281 1.33,1282 0.886,1283 0.821,1284 1.181,1285 1.11,1286 0.14,1287 1.107,1288 0.798,1289 0.761,1290 0.991,1291 1.062,1293 1.1,1294 0.528,1295 0.502,1296 0.734,1297 0.742,1299 0.776,1300 3.761,1302 5.043,1303 2.398,1304 6.494,1305 4.595,1306 8.015,1307 6.581,1308 9.574,1310 1.934,1317 2.373,1326 21.503,1327 57.911,1328 111.664,1329 127.315,1330 138.825,1331 138.825,1332 138.825,1333 40.75,1334 6.125,1335 87.28,1336 115.52,1337 11,1338 11.781,1339 4,1340 3.392,1341 36.818,1342 74,1343 62,1344 0.246,1345 140.767,1346 243.7,1347 335.233,1348 3236,1350 14.535,1351 0.727,1352 0.569,1353 14.889,1354 11.385,1355 9.559,1356 0.455,1357 0.31,1358 5.686,1359 8.657,1360 5.46,1361 4.583,1362 9.967,1363 6.52,1364 8.611,1365 0.308,1366 0.182,1367 9.28,1368 5.092,1369 6.662,1370 0.202,1371 0.104,1372 7.522,1373 3.436,1374 4.8,1375 0.13,1376 0.057,1377 5.517,1378 2.127,1379 3.447,1380 0.086,1381 0.03,1382 3.95,1383 1.186,1384 0.397,1385 64.864,1386 0.272,1387 20.516,1388 0.639,1389 98,1390 381.69,1391 135.679,1392 386.629,1393 503.52,1394 354,1395 110,1396 344.843,1397 144.383,1398 359.314,1399 510.63,1400 334,1401 6.489}
{0 CHEMBL492468,1 1.76,2 9.864,3 3.9,4 15.208,5 97.668,6 9.05,7 0.458,8 3.758,9 3.858,10 3.59,11 3.458,12 4.802,13 3.359,14 4.296,15 4.462,16 4.004,17 3.885,18 5.308,19 3.749,20 4.466,21 4.623,22 4.094,23 4.003,24 5.492,25 3.832,26 4.57,27 4.789,28 4.093,29 3.966,30 5.509,31 3.743,32 4.337,33 4.55,34 3.677,35 3.691,36 5.321,37 3.527,38 4.23,39 4.415,40 3.784,41 3.553,42 5.386,43 3.417,44 4.092,45 4.278,46 3.474,47 3.411,48 5.246,49 3.27,50 3.995,51 4.176,52 3.166,53 3.376,54 4.931,55 3.166,56 0.015,57 0.547,58 6.789,59 3.76,60 4.177,61 4.561,62 0.194,63 0.958,64 18.297,65 7.215,66 15.115,67 8.148,68 0.192,69 1.081,70 24.022,71 9.274,72 21.384,73 10.457,74 0.248,75 1.18,76 39.84,77 12.405,78 30.055,79 12.83,80 0.234,81 0.934,82 23.769,83 8.302,84 23.537,85 9.219,86 0.213,87 0.796,88 24.822,89 7.15,90 26.251,91 7.742,92 0.196,93 0.681,94 15.216,95 5.824,96 35.181,97 6.237,98 0.133,99 0.673,100 20.718,101 6.743,102 16.406,103 6.881,104 22,105 34,106 0.316,107 0.65,108 0.785,109 0.841,110 0.841,111 0.841,112 3.147,113 1.151,114 -4.74,115 -4.66,116 -4.38,120 41,125 2,126 3,143 4,144 2,145 2,153 2,159 1,174 3,180 1,185 12,189 2,192 1,194 2,197 7,201 1,206 1,209 9,213 1,214 1,219 1,222 2,227 4,232 2,235 2,240 3,245 2,247 1,252 1,264 3,269 1,274 594,275 14.585,276 14.585,277 14.585,278 14.585,279 14.585,280 13.186,281 15.71,282 8.558,283 15.204,284 11.853,285 11.853,286 11.853,287 11.853,288 11.853,289 9.56,290 15.578,291 4.102,292 12.902,293 3.525,294 1.667,295 0.911,296 0.603,297 0.603,298 0.603,299 3.825,303 1,305 1,306 1,307 1,308 460,309 3.464,312 38.093,313 93.633,316 68.042,317 79.08,320 1.603,321 15.63,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 46.333,333 217,334 4.565,335 4.474,336 6.743,337 4.154,338 3.214,339 4.276,340 3.272,341 11.051,342 3.014,343 4.135,344 3.568,345 6.067,346 3.719,347 2.764,348 3.728,349 1.058,350 8.774,351 2.63,352 3.74,353 3.073,354 5.644,355 3.343,356 2.395,357 3.078,358 0.8,359 7.36,360 2.253,361 3.356,362 2.923,363 4.983,364 3.123,365 2.21,366 2.627,368 5.744,369 2.016,370 3.215,371 2.718,372 4.695,373 2.897,374 1.989,375 2.222,377 5.179,378 1.727,379 3.021,380 2.577,381 4.661,382 2.641,383 1.772,384 2.161,386 4.942,387 1.508,388 2.712,389 1.861,390 4.14,391 2.311,392 1.399,393 1.732,395 3.629,396 1.258,397 2.434,398 1.5,399 3.848,400 1.943,401 1.022,402 1.403,404 2.691,405 0.911,406 2.047,407 1.45,408 3.217,409 1.77,410 0.779,411 0.93,413 1.737,414 0.756,415 1.806,416 1.04,417 3.073,418 1.346,419 0.519,420 0.65,422 1.325,423 0.417,424 1.118,425 0.539,426 2.568,427 0.685,428 -0.184,429 -0.223,431 -0.444,432 -0.128,433 0.885,434 0.327,435 2.425,436 0.635,437 -0.311,438 -0.35,440 -0.684,441 -0.293,442 0.739,443 0.293,444 2.3,445 0.326,446 -0.584,447 -0.716,449 -1.7,450 -0.491,451 0.304,452 -0.408,453 2.28,454 -0.089,455 -1,456 -1,458 -2,459 -0.776,460 0.261,461 -0.558,462 1.772,463 -0.1,464 -1,465 -1.178,467 -2.748,468 -0.9,469 11.514,470 0.523,471 0.63,472 0.029,473 25.75,474 1.17,475 12,476 0.545,477 13.75,478 0.625,479 20.079,480 0.913,481 23.286,482 0.597,483 15.919,484 0.724,485 4.743,486 0.216,487 5.798,488 0.264,489 0.178,491 0.339,496 0.67,497 1.112,498 0.644,499 0.784,500 0.542,501 0.829,502 0.863,503 0.699,504 0.822,505 0.697,506 0.507,507 0.677,508 0.899,509 0.99,510 1.018,511 1.058,512 0.926,513 1.044,514 0.955,515 0.951,516 0.904,517 0.957,518 1.104,519 0.876,520 1.042,521 0.912,522 0.926,523 0.924,524 1.176,525 0.889,526 1.364,527 1.213,528 0.899,529 1.077,530 1.688,531 1.016,532 1.902,533 0.986,534 0.837,535 0.779,536 2.499,537 0.926,538 1.171,539 1.357,540 1.531,541 1.559,542 1.181,543 1.364,544 5,545 0.11,546 2.667,547 1.507,548 1.388,549 0.664,550 0.496,551 0.213,552 0.221,553 0.106,554 4883,555 14631,556 2.043,557 43.6,559 16,562 1,567 1.643,568 1.886,569 3.261,570 -0.265,572 1,575 68.644,576 1.76,577 3.618,578 4.375,579 4.683,580 4.683,581 4.683,582 2.777,583 3.971,584 4.423,585 3.413,586 788.383,587 7.591,588 8600.72,590 1,592 1,593 206.131,594 1.495,595 4.376,596 0.208,597 0.011,598 0.078,599 0.046,600 0.048,601 0.028,602 0.023,603 0.012,604 0.016,605 0.009,606 0.478,607 0.33,608 1,609 1.663,610 101.418,611 -0.035,612 -0.049,613 0.042,614 0.057,615 -0.041,616 0.036,617 -0.04,618 0.415,619 0.06,620 0.27,621 0.089,622 0.24,623 -0.017,624 0.024,625 -0.04,626 -0.049,627 -0.045,628 -0.091,629 -0.003,630 0.037,631 0.161,632 0.152,633 -0.031,634 0.149,635 -0.018,636 0.098,637 -0.029,638 0.045,639 -0.06,640 0.071,641 0.015,642 -0.258,643 0.08,644 -0.139,645 -0.01,646 -0.078,647 -0.305,648 -0.038,649 -0.026,650 0.091,651 -0.257,652 -0.027,653 -0.226,654 -0.327,655 -0.423,656 -0.427,657 -0.183,658 -0.372,659 1.651,660 5.263,661 0.591,662 19.364,663 1.002,664 1.111,665 3.513,666 12.338,667 0.736,668 3.219,669 3.555,670 3.807,671 4.094,672 4.357,673 4.511,674 4.625,675 4.762,676 4.82,677 4.745,678 5.72,679 0.671,680 352.94,681 3.219,682 4.762,683 5.609,684 6.497,685 7.373,686 8.271,687 9.162,688 10.066,689 10.966,690 11.874,691 5.1,694 1,698 1,709 4,713 1,714 6,716 11,723 1,737 1,738 39,739 12,740 1,741 24,743 41,744 16,745 10,746 3,747 3,748 1,752 3,753 6,754 1,768 11,769 5,772 1,778 1,782 1,786 1,789 17,790 3,791 1,792 6,793 3,797 2,803 0.333,804 1,822 1,823 2,826 1,827 1,851 1,855 1,856 1,857 2,859 2,860 1,862 22,869 3,871 1,873 1,875 1,880 1,885 1,886 2.6,889 1,893 11.667,894 7.676,895 4.778,896 2.209,898 2.28,899 1.322,900 0.993,901 5,902 9.363,903 3.45,904 4.039,905 4.606,906 5.195,907 5.698,908 6.077,909 6.421,910 6.81,911 7.129,912 7.27,913 0.857,914 33,915 8.142,917 3.423,918 7.657,919 15.802,921 13.063,924 2.157,925 47.444,926 0.001,929 188.338,930 142.15,931 21.135,932 39.149,933 25.145,935 63.497,936 78.653,937 252.631,938 21.135,939 16.793,940 23.122,941 37.905,942 29.85,943 14.547,944 2.717,945 251.835,946 39.149,947 188.338,948 99.788,949 25.145,950 102.646,952 188.338,953 25.145,956 26.246,957 73.542,958 39.149,959 63.497,960 188.338,961 46.28,962 181.299,965 188.338,966 87.452,967 57.822,968 18.011,969 64.294,970 188.338,971 46.28,972 181.299,973 0.585,974 0.323,975 0.17,976 0.098,977 17,978 8,979 0.098,980 4,981 2,982 1.308,983 3.424,984 171.328,985 0.308,986 13,987 96.107,989 2,993 16.154,994 6.81,995 3.63,997 46.28,998 7.982,1002 1.569,1003 6.361,1005 18.011,1006 415.916,1007 30.5,1013 12.263,1017 0.016,1020 39.076,1021 43.312,1022 0.333,1023 0.685,1024 0.828,1025 0.886,1026 0.886,1027 0.886,1028 4.698,1029 1.022,1030 5.609,1031 3.629,1032 4.234,1033 4.723,1034 3.243,1035 6.428,1036 4.074,1037 5.906,1038 0.779,1039 7.174,1040 2.691,1041 3.892,1042 4.605,1043 0.325,1044 7.345,1045 3.66,1046 7.216,1047 0.519,1048 8.837,1049 1.737,1050 5.832,1051 6.899,1052 5.452,1053 10.453,1054 5.553,1055 8.563,1056 -0.184,1057 10.558,1058 1.325,1059 6.275,1060 7.599,1061 0.268,1062 12.214,1063 5.93,1064 9.943,1065 -0.311,1066 12.317,1067 -0.444,1068 7.723,1069 9.394,1070 7.808,1071 14.855,1072 7.337,1073 11.347,1074 -0.584,1075 14.104,1076 -0.684,1077 8.536,1078 10.473,1079 0.188,1080 16.977,1081 8.083,1082 12.77,1083 -1,1084 15.912,1085 -1.7,1086 9.793,1087 12.065,1088 10.177,1089 19.457,1090 9.294,1091 3.214,1092 -1,1093 17.736,1094 -2,1095 10.787,1096 13.327,1097 0.125,1098 21.734,1099 10.219,1100 2.764,1101 11.051,1102 19.573,1103 -2.748,1104 11.971,1105 14.831,1106 12.548,1107 24.158,1108 11.351,1109 2.395,1110 8.774,1111 21.421,1112 4.276,1113 13.05,1114 16.182,1115 0.082,1116 26.502,1117 12.361,1118 2.21,1119 7.36,1120 23.277,1121 3.728,1122 14.209,1123 17.649,1124 14.919,1125 28.907,1126 13.464,1127 1.989,1128 5.744,1129 25.141,1130 3.078,1131 15.329,1132 19.045,1133 0.054,1134 31.281,1135 14.515,1136 1.772,1137 5.179,1138 27.011,1139 2.627,1140 16.483,1141 20.496,1142 17.29,1143 33.681,1144 15.608,1145 1.399,1146 4.942,1147 28.886,1148 2.222,1149 17.623,1150 21.916,1151 0.035,1152 36.068,1153 16.68,1154 4861,1155 8563,1156 15.72,1157 28.71,1158 36.643,1159 39.953,1160 37.476,1161 36.244,1162 36.125,1163 45.611,1164 10.261,1165 104.863,1166 32.979,1167 5.469,1168 6.474,1169 6.296,1170 5.302,1171 5.214,1172 7.276,1173 6.545,1174 18.316,1175 5.014,1176 11.965,1177 1.527,1178 1.665,1179 1.561,1180 1.51,1181 1.505,1182 1.9,1183 0.428,1184 4.369,1185 1.374,1186 4.043,1187 4.044,1188 4.333,1189 4.082,1190 7.429,1191 4.021,1192 3.761,1193 3.809,1194 3.988,1195 3.722,1196 4.938,1197 3.686,1198 3.665,1199 3.713,1200 3.668,1201 3.467,1202 4.597,1203 3.472,1204 3.377,1205 3.448,1206 3.552,1207 3.209,1208 4.349,1209 3.172,1210 3.11,1211 3.158,1212 3.258,1213 3.039,1214 4.171,1215 2.965,1216 2.932,1217 3.009,1218 3.137,1219 2.831,1220 3.974,1221 2.809,1222 2.874,1223 2.968,1224 2.804,1225 2.675,1226 3.72,1227 2.655,1228 2.768,1229 2.8,1230 2.736,1231 2.618,1232 3.467,1233 2.57,1234 0.19,1235 0.186,1236 0.281,1237 0.173,1238 0.134,1239 4.565,1240 0.178,1241 4.474,1242 0.136,1243 6.743,1244 0.46,1245 4.154,1246 0.126,1247 3.214,1248 4.276,1249 3.272,1250 11.051,1251 3.014,1252 1.933,1253 1.927,1254 1.956,1255 1.956,1256 1.215,1257 1.984,1258 1.674,1259 1.621,1260 1.904,1261 1.918,1262 1.128,1263 1.92,1264 1.554,1265 1.508,1266 1.687,1267 1.71,1268 0.88,1269 1.71,1270 1.408,1271 1.395,1272 1.604,1273 1.56,1274 0.738,1275 1.589,1276 1.199,1277 1.122,1278 1.417,1279 1.342,1280 0.598,1281 1.392,1282 0.94,1283 0.91,1284 1.316,1285 1.239,1286 0.469,1287 1.308,1288 0.934,1289 0.804,1290 1.114,1291 1.045,1292 0.315,1293 1.1,1294 0.745,1295 0.707,1296 1.008,1297 0.969,1298 0.148,1299 1.005,1300 3.892,1302 5.22,1303 2.398,1304 6.735,1305 4.727,1306 8.345,1307 6.862,1308 10.013,1310 3.991,1311 6.064,1315 2.396,1317 2.974,1319 1.776,1321 2.052,1326 26.174,1327 68.644,1328 141.111,1329 170.621,1330 182.621,1331 182.621,1332 182.621,1333 33.311,1334 7.083,1335 32.34,1336 85.88,1337 17,1338 12.392,1339 3.7,1340 2.907,1341 34.611,1342 76,1343 78,1344 0.235,1345 172.683,1346 293.66,1347 413.106,1348 10246,1349 2.6,1350 15.69,1351 0.713,1352 0.676,1353 16.897,1354 14.87,1355 10.542,1356 0.439,1357 0.384,1358 7.141,1359 9.073,1360 6.669,1361 5.539,1362 11.693,1363 9.207,1364 9.877,1365 0.29,1366 0.234,1367 11.452,1368 7.959,1369 7.793,1370 0.177,1371 0.136,1372 9.634,1373 5.997,1374 6.452,1375 0.109,1376 0.083,1377 8.568,1378 4.918,1379 5.297,1380 0.069,1381 0.049,1382 7.343,1383 3.784,1384 0.365,1385 76.862,1386 0.252,1387 21.74,1388 0.648,1389 116,1390 321.638,1391 184.775,1392 385.796,1393 512.26,1394 360,1395 136,1396 313.398,1397 197.207,1398 361.618,1399 531.48,1400 337,1401 4.87}
{0 CHEMBL513000,1 1.379,2 12.229,3 4.946,4 24.458,5 139.749,6 6.409,7 0.308,8 4.397,9 4.519,10 3.847,11 3.889,12 5.33,13 3.85,14 5.017,15 5.212,16 4.208,17 4.33,18 5.834,19 4.268,20 5.281,21 5.487,22 4.398,23 4.596,24 6.08,25 4.498,26 5.479,27 5.707,28 4.39,29 4.713,30 6.215,31 4.574,32 5.625,33 5.891,34 4.346,35 4.722,36 6.309,37 4.565,38 5.558,39 5.815,40 4.3,41 4.687,42 6.251,43 4.526,44 5.582,45 5.861,46 4.228,47 4.668,48 6.237,49 4.491,50 5.539,51 5.831,52 4.152,53 4.582,54 6.189,55 4.402,56 0.061,57 1.031,58 18.569,59 7.68,60 14.274,61 10.516,62 0.381,63 1.728,64 35.466,65 12.629,66 30.284,67 17.846,68 0.519,69 2.275,70 45.484,71 17.469,72 39.341,73 24.91,74 0.327,75 2.67,76 54.856,77 21.366,78 39.425,79 30.675,80 0.773,81 2.84,82 64.697,83 22.807,84 54.895,85 33.24,86 0.684,87 2.707,88 60.208,89 22.009,90 49.973,91 31.803,92 0.582,93 2.736,94 61.418,95 21.922,96 48.342,97 32.387,98 0.566,99 2.557,100 58.869,101 20.551,102 47.291,103 30.581,104 51,105 56,106 0.215,107 0.466,108 0.683,109 0.743,110 0.785,111 0.806,112 3.589,113 1.005,114 -4.54,115 -4.47,116 -4.2,120 38.7,121 1,122 5,123 2,125 4,126 3,128 2,143 4,144 4,145 4,174 13,177 8,182 3,185 15,188 2,189 12,194 3,197 13,201 9,206 3,209 15,213 1,214 4,217 1,219 1,222 15,226 1,227 5,230 2,232 2,235 15,240 8,245 2,247 11,252 8,257 2,260 11,263 1,264 6,267 1,271 8,274 2200,275 24.4,276 24.4,277 24.4,278 24.4,279 24.4,280 23.001,281 35.224,282 13.916,283 25.25,284 18.942,285 18.942,286 18.942,287 18.942,288 18.942,289 16.431,290 48.372,291 6.148,292 19.921,293 4.85,294 3.24,295 1.851,296 1.464,297 1.197,298 1.064,299 4.298,307 1,308 931,309 3.536,313 382.943,317 384.501,320 1.734,321 23.47,324 1,325 0.83,326 1,327 1,328 1,329 1,330 1,331 0.98,332 75,333 428,334 4.477,335 3.515,336 6.763,337 4.213,338 3.238,339 4.111,340 0.916,341 11.138,342 3.16,343 4.445,344 3.403,345 6.588,346 4.108,347 3.129,348 4.104,349 0.86,350 10.537,351 3.066,352 4.046,353 3.151,354 6.227,355 3.857,356 2.887,357 3.276,358 0.86,359 9.371,360 2.812,361 3.886,362 3.037,363 6.065,364 3.604,365 2.664,366 3.21,367 0.86,368 8.741,369 2.493,370 3.725,371 2.755,372 5.995,373 3.504,374 2.546,375 2.867,376 0.86,377 8.454,378 2.418,379 3.315,380 2.435,381 5.565,382 3.098,383 2.143,384 2.453,385 0.657,386 7.069,387 2.043,388 3.21,389 2.321,390 5.19,391 2.985,392 2.006,393 2.372,394 0.172,395 6.183,396 1.963,397 3.09,398 2.254,399 4.922,400 2.86,401 1.896,402 2.187,404 5.568,405 1.822,406 2.839,407 2.112,408 4.574,409 2.592,410 1.648,411 1.881,413 4.623,414 1.556,415 2.653,416 2.026,417 4.456,418 2.48,419 1.548,420 1.661,422 4.275,423 1.438,424 2.412,425 1.692,426 4.105,427 2.29,428 1.359,429 1.408,431 3.247,432 1.256,433 2.303,434 1.474,435 3.884,436 2.198,437 1.259,438 1.297,440 3.075,441 1.17,442 1.845,443 1.046,444 3.439,445 1.63,446 0.702,447 0.781,449 1.574,450 0.644,451 1.737,452 1.023,453 3.157,454 1.514,455 0.585,456 0.659,458 1.182,459 0.532,460 1.604,461 0.949,462 3.067,463 1.5,464 0.55,465 0.572,467 1.023,468 0.526,469 16.633,470 0.475,471 0.752,472 0.021,473 36.75,474 1.05,475 14,476 0.4,477 22.75,478 0.65,479 43.378,480 1.239,481 40.367,482 0.538,483 27.901,484 0.797,485 6.816,486 0.195,487 10.276,488 0.294,489 0.15,491 0.385,496 0.896,497 1.427,498 0.922,499 1.289,500 0.843,501 1.131,502 1.383,503 0.962,504 0.99,505 0.863,506 1.113,507 0.865,508 0.727,509 1.115,510 0.97,511 1.075,512 0.636,513 1.051,514 0.701,515 1.293,516 1.066,517 1.275,518 0.75,519 1.225,520 0.995,521 0.972,522 1.028,523 0.974,524 1.043,525 1,526 0.89,527 1.056,528 1.063,529 1.075,530 0.981,531 1.092,532 0.838,533 1.03,534 1.008,535 1.012,536 0.89,537 1.027,538 0.818,539 0.948,540 0.933,541 0.94,542 0.867,543 0.945,544 7,545 0.272,546 4.444,547 2.313,548 3.231,549 1.431,550 1.01,551 0.755,552 0.517,553 0.381,554 16887,555 35941,556 2.106,557 53.3,558 6,559 24,562 1,564 9,567 1.771,568 1.963,569 3.582,570 -0.43,575 103.403,576 1.379,577 2.988,578 4.378,579 4.765,580 5.032,581 5.165,582 3.033,583 4.708,584 5.102,585 3.708,586 2206.18,587 8.982,588 33141.9,593 467.161,594 1.438,595 5.057,596 0.179,597 0.007,598 0.079,599 0.035,600 0.052,601 0.025,602 0.018,603 0.015,604 0.011,605 0.009,606 0.431,607 0.33,608 0.75,609 0.949,610 186.631,611 0.014,612 -0.155,613 0.088,614 -0.084,615 0.083,616 -0.001,617 -0.159,618 0.176,619 0.05,620 0.193,621 -0.031,622 0.157,623 0.099,624 0.018,625 0.013,626 0.009,627 0.171,628 0.003,629 -0.012,630 -0.213,631 -0.11,632 -0.206,633 -0.006,634 -0.176,635 -0.04,636 0.019,637 -0.045,638 0.006,639 -0.104,640 -0.018,641 -0.01,642 -0.047,643 -0.089,644 -0.07,645 -0.086,646 -0.091,647 -0.054,648 -0.044,649 -0.048,650 -0.034,651 -0.074,652 -0.039,653 -0.026,654 0.014,655 0.027,656 0.015,657 -0.041,658 0.028,659 0.988,660 2.177,661 0.686,662 33.51,663 0.991,664 1.13,665 3.311,666 10.964,667 0.631,668 3.689,669 4.043,670 4.407,671 4.718,672 5.05,673 5.22,674 5.403,675 5.583,676 5.771,677 5.844,678 7.105,679 0.585,680 480.71,681 3.689,682 5.252,683 6.142,684 7.048,685 7.956,686 8.869,687 9.782,688 10.697,689 11.612,690 12.528,691 2.7,693 1,694 1,709 4,714 8,716 12,735 4,738 75,739 12,740 2,741 39,743 79,744 29,745 12,746 8,747 4,752 5,753 9,759 1,763 5,764 2,766 7,768 12,769 17,770 2,789 40,790 6,791 1,792 6,797 2,803 0.4,804 4,823 5,827 3,849 1,851 1,855 2,859 5,862 35,869 8,871 1,872 4,874 4,875 1,886 5.3,891 4,893 17.833,894 14.783,895 7.972,896 4.753,898 2.306,899 1.26,900 0.953,901 7.589,902 11.181,903 3.829,904 4.382,905 4.959,906 5.484,907 6.024,908 6.27,909 6.502,910 6.699,911 6.963,912 7.088,913 1,914 66,915 13.012,917 5.484,918 7.419,919 26.034,921 22.291,924 1.919,925 67.167,929 459.073,930 142.968,931 21.135,933 44,936 142.968,937 503.073,938 21.135,939 52.357,940 18.99,941 55.916,943 80.84,945 459.073,947 459.073,948 164.103,949 44,952 353.133,953 149.939,956 48.95,957 115.153,960 459.073,961 65.135,962 142.968,965 459.073,966 52.706,967 93.387,968 18.011,969 44,970 459.073,971 65.135,972 142.968,973 0.576,974 0.37,975 0.211,976 0.121,977 28,978 13,979 0.089,980 7,981 3,982 1.25,983 4.344,984 356.356,985 0.25,986 24,987 175.525,993 24.883,994 10.675,995 4.684,997 65.135,998 8.817,1003 8.932,1005 18.011,1006 667.176,1007 45,1020 74.301,1021 84.723,1022 0.221,1023 0.48,1024 0.703,1025 0.765,1026 0.808,1027 0.829,1028 5.118,1029 1.896,1030 6.142,1031 6.183,1032 4.727,1033 5.069,1034 2.228,1035 7.015,1036 4.644,1037 6.296,1038 1.648,1039 7.739,1040 5.568,1041 4.369,1042 4.934,1043 0.325,1044 8.015,1045 4.268,1046 7.611,1047 1.548,1048 9.433,1049 4.623,1050 6.385,1051 7.193,1052 1.903,1053 11.131,1054 6.248,1055 8.958,1056 1.359,1057 11.182,1058 4.275,1059 6.847,1060 7.875,1061 0.393,1062 12.91,1063 6.686,1064 10.338,1065 1.259,1066 12.964,1067 3.247,1068 8.319,1069 9.64,1070 1.629,1071 15.544,1072 8.137,1073 11.74,1074 0.702,1075 14.768,1076 3.075,1077 9.152,1078 10.687,1079 0.384,1080 17.651,1081 8.946,1082 13.157,1083 0.585,1084 16.589,1085 1.574,1086 10.417,1087 12.261,1088 1.389,1089 20.117,1090 10.192,1091 3.238,1092 0.55,1093 18.42,1094 1.182,1095 11.421,1096 13.484,1097 0.351,1098 22.371,1099 11.173,1100 3.129,1101 11.138,1102 20.261,1103 1.023,1104 12.605,1105 14.974,1106 1.176,1107 24.777,1108 12.34,1109 2.887,1110 10.537,1111 22.109,1112 4.111,1113 13.686,1114 16.286,1115 0.312,1116 27.098,1117 13.399,1118 2.664,1119 9.371,1120 23.963,1121 4.104,1122 14.843,1123 17.736,1124 0.988,1125 29.485,1126 14.537,1127 2.546,1128 8.741,1129 25.821,1130 3.276,1131 15.96,1132 19.094,1133 0.273,1134 31.839,1135 15.633,1136 2.143,1137 8.454,1138 27.685,1139 3.21,1140 17.109,1141 20.525,1142 0.822,1143 34.222,1144 16.763,1145 2.006,1146 7.069,1147 29.551,1148 2.867,1149 18.244,1150 21.908,1151 0.236,1152 36.594,1153 17.877,1154 16047,1155 23511,1156 26.065,1157 47.296,1158 57.799,1159 59.295,1160 61.839,1161 57.787,1162 57.949,1163 67.417,1164 10.372,1165 174.443,1166 55.204,1167 5.477,1168 5.515,1169 6.309,1170 5.259,1171 5.238,1172 7.111,1173 1.776,1174 18.4,1175 5.16,1176 18.213,1177 1.482,1178 1.52,1179 1.586,1180 1.482,1181 1.486,1182 1.729,1183 0.266,1184 4.473,1185 1.415,1186 4.09,1187 4.125,1188 4.023,1189 4,1190 4.943,1191 4.001,1192 3.989,1193 4.013,1194 3.939,1195 3.911,1196 4.907,1197 3.914,1198 3.801,1199 3.836,1200 3.708,1201 3.699,1202 4.496,1203 3.694,1204 3.557,1205 3.606,1206 3.452,1207 3.36,1208 4.496,1209 3.373,1210 3.492,1211 3.552,1212 3.351,1213 3.309,1214 4.471,1215 3.31,1216 3.381,1217 3.457,1218 3.188,1219 3.231,1220 4.408,1221 3.212,1222 3.263,1223 3.326,1224 3.088,1225 3.073,1226 4.184,1227 3.061,1228 3.244,1229 3.312,1230 3.043,1231 2.954,1232 3.978,1233 2.958,1234 0.115,1235 0.09,1236 0.173,1237 0.108,1238 0.083,1239 4.477,1240 0.105,1241 3.515,1242 0.023,1243 6.763,1244 0.286,1245 4.213,1246 0.081,1247 3.238,1248 4.111,1249 0.916,1250 11.138,1251 3.16,1252 2.029,1253 1.999,1254 2.162,1255 2.147,1256 1.564,1257 2.154,1258 1.968,1259 1.947,1260 2.073,1261 2.076,1262 1.358,1263 2.076,1264 1.795,1265 1.759,1266 1.962,1267 1.924,1268 1.258,1269 1.936,1270 1.5,1271 1.449,1272 1.752,1273 1.736,1274 1.024,1275 1.73,1276 1.463,1277 1.405,1278 1.702,1279 1.691,1280 0.879,1281 1.704,1282 1.401,1283 1.331,1284 1.679,1285 1.602,1286 0.866,1287 1.639,1288 1.235,1289 1.171,1290 1.579,1291 1.527,1292 0.825,1293 1.543,1294 1.189,1295 1.113,1296 1.574,1297 1.521,1298 0.656,1299 1.537,1300 4.369,1302 5.714,1304 7.281,1306 8.952,1308 10.677,1310 9.26,1315 8.953,1317 3.834,1318 22.505,1320 2.148,1321 2.717,1326 43.911,1327 103.403,1328 224.127,1329 328.367,1330 357.387,1331 377.387,1332 387.387,1333 56.13,1334 8.875,1335 52.19,1336 52.19,1337 30,1338 13.039,1339 3.7,1340 2.807,1341 52.02,1342 148,1343 152,1344 0.17,1345 263.991,1346 467.98,1347 635.897,1348 98805,1350 24.526,1351 0.701,1352 0.624,1353 24.526,1354 21.856,1355 17.092,1356 0.438,1357 0.335,1358 12.848,1359 16.314,1360 12.398,1361 10.291,1362 17.092,1363 13.066,1364 14.792,1365 0.264,1366 0.183,1367 14.792,1368 10.229,1369 13.799,1370 0.17,1371 0.107,1372 13.799,1373 8.644,1374 11.848,1375 0.107,1376 0.061,1377 11.848,1378 6.737,1379 10.36,1380 0.067,1381 0.035,1382 10.36,1383 5.444,1384 0.264,1385 108.042,1386 0.196,1387 31.62,1388 0.478,1389 190,1390 474.92,1391 205.649,1392 441.889,1393 616.44,1394 422,1395 232,1396 452.055,1397 249.177,1398 461.701,1399 680.67,1400 430,1401 6.796}
{0 CHEMBL518292,1 1.235,2 5.647,3 2.205,4 4.86,5 67.152,6 6.28,8 3.676,9 3.797,10 3.107,11 3.278,12 4.631,13 3.207,14 4.304,15 4.492,16 3.543,17 3.78,18 5.076,19 3.684,20 4.688,21 4.876,22 3.687,23 4.066,24 5.518,25 3.922,26 4.997,27 5.291,28 3.585,29 4.044,30 5.804,31 3.849,32 4.758,33 5.036,34 3.297,35 3.739,36 5.811,37 3.553,38 4.454,39 4.741,40 2.713,41 3.347,42 5.387,43 3.116,44 4.035,45 4.389,46 2.124,47 2.676,48 5.017,49 2.415,50 3.283,51 3.584,52 0.888,53 1.572,54 4.575,55 1.409,56 0.025,57 0.488,58 8.829,59 4.246,60 9.181,61 5.686,62 0.088,63 0.87,64 16.657,65 7.6,66 19.688,67 10.372,68 0.086,69 1.261,70 24.497,71 11.045,72 21.945,73 15.225,74 0.242,75 1.487,76 33.445,77 13.053,78 55.584,79 18.631,80 0.403,81 1.118,82 27.037,83 9.665,84 90.716,85 13.603,86 0.237,87 0.802,88 19.835,89 6.934,90 50.271,91 9.802,92 0.156,93 0.478,94 12.86,95 4.147,96 37.125,97 6.063,98 0.206,99 0.171,100 6.572,101 1.335,102 42,103 1.75,104 30,105 33,106 0.229,107 0.526,108 0.722,109 0.783,110 0.824,111 0.824,112 2.914,113 1.03,114 -3.87,115 -3.82,116 -3.63,120 40.5,121 3,122 3,123 2,124 3,136 1,137 1,155 2,174 15,177 2,185 23,189 5,197 19,201 6,209 13,213 1,214 5,222 8,227 4,240 4,274 221,275 10.921,276 10.921,277 10.921,278 10.921,279 10.921,280 10.622,281 8.563,282 5.653,283 10.891,284 9.188,285 9.188,286 9.188,287 9.188,288 9.188,289 8.579,290 8.864,291 2.449,292 9.122,293 3.974,294 2.372,295 1.319,296 0.987,297 0.764,298 0.764,299 3.557,307 1,308 204,309 3.536,310 18.061,312 30.535,313 35.876,314 41.113,316 55.809,317 61.046,320 0.844,321 19.171,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 36,333 96,334 5.158,335 4.348,336 8.888,337 5.126,338 4.125,339 4.247,340 1.447,341 18.632,342 4.13,343 4.279,344 3.337,345 6.963,346 4.277,347 3.276,348 3.282,350 11.628,351 3.277,352 3.735,353 2.952,354 6.568,355 3.511,356 2.505,357 2.928,359 9.621,360 2.519,361 3.445,362 2.838,363 5.829,364 3.328,365 2.324,366 2.463,368 7.644,369 2.332,370 2.684,371 2.446,372 4.661,373 2.366,374 1.318,375 1.59,377 3.709,378 1.374,379 2.29,380 2.216,381 4.363,382 1.954,383 0.934,384 1.019,386 2.908,387 0.949,388 1.904,389 1.006,390 4,391 1.485,392 0.363,393 0.556,395 0.531,396 0.403,397 1.678,398 0.817,399 3.459,400 1.235,401 0.156,402 0.216,404 0.274,405 0.167,406 0.699,407 -0.091,408 3.177,409 0.631,410 -0.385,411 -0.409,413 -1.18,414 -0.392,415 0.452,416 -0.361,417 2.807,418 0.387,419 -0.63,420 -0.665,422 -1.944,423 -0.639,424 0.274,425 -0.699,426 2.704,427 0.222,428 -0.801,429 -0.891,431 -2.524,432 -0.82,434 -1,435 2.53,437 -1,438 -1,440 -3,441 -1,442 -0.083,443 -1.049,444 2.092,445 -0.271,446 -1.282,447 -1.353,449 -4.189,450 -1.296,451 -0.462,452 -1.215,453 2,454 -0.529,455 -1.536,456 -1.625,458 -5.394,459 -1.549,460 -0.569,461 -1.453,462 1.922,463 -0.666,464 -1.702,465 -1.815,467 -6.134,468 -1.765,469 8.167,470 0.48,471 0.788,472 0.046,473 14.5,474 0.853,475 4.5,476 0.265,477 10,478 0.588,479 19.807,480 1.165,481 19.433,482 0.525,483 7.726,484 0.454,485 1.921,486 0.113,487 5.963,488 0.351,489 0.265,490 0.184,491 0.184,496 0.473,497 1.138,498 0.915,499 1.136,500 0.462,501 1.085,502 0.538,503 0.888,504 0.821,505 0.893,506 0.513,507 0.891,508 0.464,509 1.436,510 1.184,511 1.443,512 0.459,513 1.404,514 0.65,515 0.983,516 0.842,517 0.978,518 0.646,519 0.938,520 1.215,521 0.941,522 1.033,523 0.942,524 1.232,525 0.963,526 1.436,527 1.067,528 1.199,529 1.069,530 1.469,531 1.102,532 1.216,533 0.697,534 0.727,535 0.679,536 1.204,537 0.651,538 4.864,540 1.635,541 0.015,542 4.835,543 0.391,544 7,546 4.444,547 3.118,548 1.766,549 0.827,550 0.274,554 1865,555 4040,556 1.98,557 54.1,558 17,559 1,561 2,567 1.581,568 1.744,569 2.536,570 -0.865,575 45.708,576 1.235,577 2.838,578 3.891,579 4.222,580 4.446,581 4.446,582 1.904,583 3.852,584 4.059,585 2.597,586 353.127,587 6.917,588 3057.19,593 192.75,594 1.933,595 3.925,596 0.368,598 0.148,599 0.101,600 0.068,601 0.046,602 0.034,606 0.765,607 1,608 1,609 1.123,610 66.843,611 0.001,612 0.075,613 0.05,614 0.075,615 0.028,616 0.069,617 -0.02,618 0.235,619 0.13,620 0.232,621 0.005,622 0.202,623 -0.006,624 -0.331,625 -0.252,626 -0.334,627 -0.004,628 -0.323,629 0.06,630 -0.046,631 0.091,632 -0.032,633 0.048,634 0.025,635 0.044,636 -0.022,637 -0.037,638 -0.027,639 0.033,640 -0.039,641 -0.135,642 -0.171,643 -0.205,644 -0.177,645 -0.165,646 -0.197,647 0.036,648 0.1,649 0.247,650 0.123,651 0.039,652 0.198,653 -0.887,654 0.686,655 -0.351,656 0.613,657 -0.778,658 0.248,659 1.684,660 4.448,661 0.588,662 8.706,663 0.986,664 1.124,665 2.636,666 6.951,667 0.636,668 2.996,669 3.526,670 3.871,671 4.205,672 4.431,673 4.575,674 4.654,675 4.625,676 4.263,677 3.367,678 3.606,679 0.586,680 232.35,681 2.996,682 4.654,683 5.602,684 6.616,685 7.599,686 8.615,687 9.612,688 10.627,689 11.631,690 12.645,738 37,739 3,741 19,743 39,744 15,748 3,752 3,753 6,759 3,760 3,762 3,763 3,764 2,766 3,768 4,769 11,770 2,772 3,778 2,780 3,782 1,789 20,790 2,792 2,803 0.333,804 2,820 1,822 1,823 1,824 1,826 1,827 1,831 2,845 1,846 1,855 1,859 3,862 17,869 3,874 2,876 3,886 5.4,889 2,893 9.75,894 7.5,895 3.549,896 2.375,898 0.582,899 1.089,900 0.881,901 1.916,902 7.101,903 3.135,904 3.664,905 4.127,906 4.554,907 4.875,908 5.094,909 5.283,910 5.361,911 5.037,912 4.277,913 0.75,914 31,915 6.378,917 2.947,918 7.77,919 12.638,921 12.125,924 2.27,925 38.583,926 0.004,929 235.422,930 69.589,933 50.29,936 69.589,937 285.712,939 26.476,940 7.604,941 9.476,942 96.68,943 3.186,945 211.88,947 235.422,948 69.589,949 50.29,952 235.422,953 50.29,956 34.079,957 3.186,958 32.325,960 235.422,961 50.29,962 69.589,965 235.422,966 10.789,967 58.8,969 50.29,970 235.422,971 50.29,972 69.589,973 0.625,974 0.387,975 0.213,976 0.114,977 21,978 9,979 0.051,980 2,981 2,982 1.4,983 2.71,984 135.3,985 0.4,986 10,987 67.487,993 11.197,994 2.91,995 1.217,997 50.29,1006 355.301,1007 22,1013 22.674,1015 4.061,1017 0.758,1020 36.491,1021 41.571,1022 0.237,1023 0.545,1024 0.747,1025 0.81,1026 0.853,1027 0.853,1028 4.554,1029 0.156,1030 5.778,1031 0.531,1032 4.205,1033 4.344,1034 1.647,1035 6.911,1036 4.217,1037 5.858,1038 -0.385,1039 7.567,1040 0.274,1041 4.575,1042 4.635,1044 8.851,1045 4.575,1046 7.302,1047 -0.63,1048 9.485,1049 -1.18,1050 6.312,1051 6.512,1052 2.28,1053 12.045,1054 6.322,1055 8.785,1056 -0.801,1057 11.482,1058 -1.944,1059 7.385,1060 7.518,1062 14.696,1063 7.39,1064 10.307,1065 -1,1066 13.53,1067 -2.524,1068 8.828,1069 9.049,1070 2.964,1071 17.658,1072 8.837,1073 11.855,1074 -1.282,1075 15.614,1076 -3,1077 10.123,1078 10.318,1080 20.507,1081 10.131,1082 13.423,1083 -1.536,1084 17.722,1085 -4.189,1086 11.517,1087 11.766,1088 3.676,1089 23.434,1090 11.527,1091 4.125,1092 -1.702,1093 19.849,1094 -5.394,1095 12.883,1096 13.136,1098 26.338,1099 12.894,1100 3.276,1101 18.632,1102 21.99,1103 -6.134,1104 14.277,1105 14.569,1106 4.402,1107 29.261,1108 14.289,1109 2.505,1110 11.628,1111 24.141,1112 4.247,1113 15.669,1114 15.979,1116 32.179,1117 15.682,1118 2.324,1119 9.621,1120 26.3,1121 3.282,1122 17.07,1123 17.414,1124 5.135,1125 35.103,1126 17.085,1127 1.318,1128 7.644,1129 28.465,1130 2.928,1131 18.473,1132 18.842,1134 38.026,1135 18.489,1136 0.934,1137 3.709,1138 30.635,1139 2.463,1140 19.879,1141 20.28,1142 5.871,1143 40.95,1144 19.897,1145 0.363,1146 2.908,1147 32.809,1148 1.59,1149 21.288,1150 21.718,1152 43.874,1153 21.307,1154 1964,1155 2916,1156 11.614,1157 23.523,1158 31.819,1159 34.161,1160 33.913,1161 30.225,1162 30.003,1163 32.6,1164 2.894,1165 109.897,1166 30.302,1167 6.158,1168 6.348,1169 8.404,1170 6.126,1171 6.125,1172 6.79,1173 2.894,1174 28.285,1175 6.13,1176 10.215,1177 1.675,1178 1.798,1179 1.785,1180 1.591,1181 1.579,1182 1.716,1183 0.152,1184 5.784,1185 1.595,1186 4.151,1187 4.178,1188 4.085,1189 4.093,1190 7.456,1191 4.088,1192 3.768,1193 3.814,1194 3.653,1195 3.675,1196 7.447,1197 3.664,1198 3.426,1199 3.459,1200 3.333,1201 3.291,1202 4.556,1203 3.292,1204 3.218,1205 3.279,1206 3.063,1207 3.037,1208 4.216,1209 3.029,1210 3.069,1211 3.119,1212 2.91,1213 2.79,1214 3.92,1215 2.809,1216 2.874,1217 3.009,1218 2.609,1219 2.632,1220 3.55,1221 2.606,1222 2.846,1223 2.945,1224 2.499,1225 2.618,1226 3.467,1227 2.57,1228 2.787,1229 2.87,1230 2.496,1231 2.499,1232 3.374,1233 2.494,1234 0.271,1235 0.229,1236 0.468,1237 0.27,1238 0.217,1239 5.158,1240 0.224,1241 4.348,1242 0.076,1243 8.888,1244 0.981,1245 5.126,1246 0.217,1247 4.125,1248 4.247,1249 1.447,1250 18.632,1251 4.13,1252 1.843,1253 1.818,1254 1.986,1255 1.939,1256 1.394,1257 1.952,1258 1.757,1259 1.705,1260 1.976,1261 1.894,1262 1.319,1263 1.928,1264 1.454,1265 1.413,1266 1.675,1267 1.625,1268 0.917,1269 1.64,1270 1.245,1271 1.186,1272 1.536,1273 1.463,1274 0.766,1275 1.488,1276 1.061,1277 1.023,1278 1.417,1279 1.35,1280 0.525,1281 1.329,1282 0.934,1283 0.804,1284 1.348,1285 1.239,1286 0.469,1287 1.308,1288 0.896,1289 0.787,1290 1.285,1291 1.177,1292 0.392,1293 1.234,1294 0.734,1295 0.639,1296 1.131,1297 1.05,1298 0.125,1299 1.088,1300 3.664,1301 1.946,1302 5.142,1303 4.394,1304 6.838,1305 6.666,1306 8.645,1307 8.832,1308 10.519,1310 6.805,1315 3.219,1320 1.095,1322 -0.029,1326 21.698,1327 45.708,1328 104.998,1329 143.956,1330 156.22,1331 164.485,1332 164.485,1333 36.102,1334 6.519,1335 34.14,1336 34.14,1337 14,1338 13.097,1339 2,1340 2,1341 23.464,1342 39,1343 32,1344 0.353,1345 131.686,1346 240.64,1347 313.073,1348 4075,1350 12.475,1351 0.734,1352 0.637,1353 12.475,1354 10.825,1355 7.884,1356 0.415,1357 0.343,1358 6.491,1359 7.723,1360 6.146,1361 5.094,1362 7.884,1363 6.523,1364 8.384,1365 0.254,1366 0.22,1367 8.384,1368 7.266,1369 6.985,1370 0.149,1371 0.117,1372 6.985,1373 5.496,1374 6.126,1375 0.093,1376 0.067,1377 6.126,1378 4.445,1379 4.826,1380 0.058,1381 0.041,1382 4.826,1383 3.395,1384 0.5,1385 48.718,1386 0.293,1387 16.108,1388 1.154,1389 104,1390 219.471,1391 106.879,1392 212.285,1393 282.27,1394 196,1395 135,1396 195.455,1397 137.99,1398 206.242,1399 305.83,1400 190,1401 6.276}
{0 CHEMBL52,1 1.342,2 10.091,3 4.607,4 21.226,5 85.472,6 6.873,7 0.522,8 3.856,9 3.959,10 3.307,11 3.38,12 5.037,13 3.345,14 4.339,15 4.498,16 3.657,17 3.773,18 5.423,19 3.708,20 4.685,21 4.871,22 3.752,23 3.946,24 5.902,25 3.843,26 4.851,27 5.111,28 3.509,29 3.942,30 5.762,31 3.772,32 4.771,33 5.054,34 3.418,35 3.874,36 5.571,37 3.692,38 4.65,39 4.892,40 3.414,41 3.802,42 5.584,43 3.646,44 4.662,45 4.924,46 3.352,47 3.671,48 5.67,49 3.527,50 4.449,51 4.678,52 3.157,53 3.414,54 5.619,55 3.312,56 0.078,57 0.546,58 10.019,59 4.595,60 19.243,61 5.704,62 0.031,63 0.88,64 16.415,65 7.537,66 18.189,67 9.871,68 0.339,69 1.159,70 24.473,71 9.935,72 75.128,73 13.288,74 0.321,75 1.292,76 30.06,77 11.249,78 69.606,79 15.747,80 0.267,81 1.203,82 27.689,83 10.59,84 59.586,85 15.138,86 0.202,87 1.084,88 24.098,89 9.425,90 52.756,91 13.07,92 0.313,93 1.021,94 25.378,95 8.792,96 68.476,97 12.236,98 0.418,99 0.782,100 21.07,101 6.532,102 79.563,103 8.608,104 37,105 32,106 0.237,107 0.538,108 0.646,109 0.7,110 0.716,111 0.732,112 3.145,113 0.963,114 -4.16,115 -4.1,116 -3.88,120 40.9,121 2,122 2,123 2,143 6,144 2,145 4,174 13,182 4,185 16,193 2,194 8,197 16,206 6,209 14,219 4,222 13,232 6,235 8,245 8,247 6,257 6,260 4,269 6,271 1,274 640,275 14.085,276 14.085,277 14.085,278 14.085,279 14.085,280 12.427,281 13.114,282 8.114,283 14.22,284 11.269,285 11.269,286 11.269,287 11.269,288 11.269,289 8.915,290 8.845,291 3.849,292 11.56,293 4.117,294 2.41,295 1.796,296 1.489,297 1.398,298 1.307,299 3.799,306 1,307 1,308 456,309 3.317,313 164.973,320 1.554,321 28.047,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 48,333 222,334 4.23,335 3.102,336 6.023,337 3.885,338 2.901,339 3.874,341 8.62,342 2.863,343 4.214,344 3.068,345 5.953,346 3.795,347 2.828,348 3.869,350 8.345,351 2.732,352 3.782,353 2.823,354 5.868,355 3.637,356 2.663,357 2.953,359 7.934,360 2.581,361 3.517,362 2.52,363 5.258,364 3.195,365 2.218,366 2.822,368 6.568,369 2.155,370 3.295,371 2.182,372 5.074,373 2.99,374 2.007,375 2.445,377 5.918,378 1.965,379 2.82,380 1.718,381 4.05,382 2.372,383 1.414,384 1.949,386 3.532,387 1.347,388 2.82,389 1.715,390 4.041,391 2.371,392 1.414,393 1.948,395 3.523,396 1.346,397 2.188,398 1.14,399 3.811,400 2.096,401 1.101,402 1.171,404 2.812,405 1.095,406 1.496,407 0.638,408 2.914,409 1.204,410 0.266,411 0.312,413 0.597,414 0.246,415 1.411,416 0.541,417 2.517,418 1.118,419 0.188,420 0.219,422 0.404,423 0.172,424 0.874,425 0.008,426 2.376,427 0.612,428 -0.335,429 -0.379,431 -0.863,432 -0.315,433 0.817,434 -0.093,435 2.372,436 0.55,437 -0.406,438 -0.455,440 -0.996,441 -0.386,442 0.509,443 -0.515,444 2.133,445 0.181,446 -0.783,447 -0.969,449 -2.008,450 -0.741,451 0.456,452 -0.535,453 1.853,454 0.175,455 -0.791,456 -0.969,458 -2.008,459 -0.752,460 -0.059,461 -1.141,462 1.418,463 -0.303,464 -1.274,465 -1.358,467 -3.162,468 -1.228,469 10.333,470 0.47,471 0.723,472 0.033,473 26.5,474 1.205,475 14,476 0.636,477 12.5,478 0.568,479 18.947,480 0.861,481 25.067,482 0.57,483 18.314,484 0.832,485 4.956,486 0.225,487 5.407,488 0.246,489 0.226,491 0.387,496 1.03,497 0.989,498 0.959,499 0.982,500 1.061,501 0.961,502 0.551,503 1.171,504 0.811,505 1.159,506 0.521,507 1.053,508 0.658,509 1.246,510 1.033,511 1.254,512 0.632,513 1.22,514 0.767,515 1.025,516 1.015,517 1.041,518 0.776,519 1.07,520 0.522,521 0.893,522 0.841,523 0.91,524 0.555,525 0.932,526 0.692,527 1.143,528 1.034,529 1.157,530 0.737,531 1.16,532 1.002,533 0.954,534 0.967,535 0.952,536 1.003,537 0.953,538 1.779,539 0.838,540 1.262,541 0.838,542 1.772,543 0.935,544 6,545 0.115,546 3.111,547 1.5,548 1.467,549 0.569,550 0.568,551 0.267,552 0.14,553 0.162,554 4859,555 14489,556 1.919,557 50,558 12,559 6,562 4,567 1.641,568 1.737,569 3.327,570 1.78,575 59.049,576 1.342,577 3.049,578 3.664,579 3.971,580 4.061,581 4.152,582 2.732,583 3.459,584 4.434,585 3.458,586 798.763,587 7.595,588 9030.19,590 1,593 240.215,594 1.573,595 4.349,596 0.261,597 0.01,598 0.097,599 0.047,600 0.061,601 0.025,602 0.026,603 0.013,604 0.009,605 0.012,606 0.56,607 0.17,608 1,609 0.714,610 102.638,611 -0.15,612 0.183,613 -0.042,614 0.172,615 -0.172,616 0.098,617 0.032,618 -0.051,619 0.074,620 -0.038,621 0.076,622 0.016,623 0.149,624 -0.196,625 -0.103,626 -0.205,627 0.183,628 -0.202,629 -0.045,630 -0.063,631 -0.075,632 -0.066,633 -0.05,634 -0.075,635 0.025,636 0.06,637 0.078,638 0.065,639 -0.003,640 0.079,641 -0.026,642 -0.152,643 -0.111,644 -0.154,645 -0.066,646 -0.15,647 -0.062,648 -0.021,649 0.016,650 -0.013,651 -0.065,652 0.012,653 -0.295,654 0.083,655 -0.197,656 0.068,657 -0.299,658 -0.029,659 1.774,660 3.542,661 0.545,662 17.19,663 1.001,664 1.123,665 2.928,666 8.575,667 0.641,668 3.178,669 3.497,670 3.664,671 3.761,672 3.951,673 3.85,674 3.807,675 3.761,676 3.611,677 3.555,678 5.973,679 0.606,680 302.4,681 3.178,682 4.71,683 5.525,684 6.375,685 7.207,686 8.054,687 8.891,688 9.737,689 10.576,690 11.421,709 6,714 6,716 12,734 4,738 44,739 12,740 2,741 23,743 45,744 18,745 12,746 6,747 6,752 2,753 2,759 2,766 2,768 12,769 6,770 2,786 1,789 22,790 4,791 4,792 4,803 1,804 4,823 2,855 2,859 2,862 22,868 4,869 2,874 2,886 9.1,888 4,893 12.667,894 7.967,895 4.833,896 2.575,898 2.006,899 1.318,900 0.852,901 5.322,902 8.318,903 3.401,904 3.989,905 4.449,906 4.881,907 5.372,908 5.278,909 5.183,910 5.27,911 5.247,912 5.411,913 0.857,914 32,915 8.137,917 3.442,918 8.03,919 15.302,921 12.501,924 2.53,925 55.667,928 1,929 211.88,930 85.948,933 170.733,936 85.948,937 382.613,939 17.65,940 5.069,941 56.857,942 170.733,943 6.371,945 211.88,947 211.88,948 85.948,949 170.733,952 211.88,953 170.733,956 22.719,957 63.229,960 211.88,961 170.733,962 85.948,965 211.88,966 11.44,967 74.508,969 170.733,970 211.88,971 170.733,972 85.948,973 0.594,974 0.339,975 0.149,976 0.083,977 14,978 8,979 0.111,980 5,982 1,983 3.365,984 158.494,986 12,987 76.107,993 16.653,994 7.03,995 4.39,997 170.733,998 9.797,1003 1.543,1005 170.733,1006 468.561,1007 29,1020 44.029,1021 49.405,1022 0.246,1023 0.559,1024 0.671,1025 0.727,1026 0.744,1027 0.761,1028 4.635,1029 1.101,1030 5.533,1031 3.523,1032 4.174,1033 4.673,1035 6.293,1036 4.124,1037 5.848,1038 0.266,1039 7.084,1040 2.812,1041 3.892,1042 4.543,1044 7.081,1045 3.789,1046 7.149,1047 0.188,1048 8.725,1049 0.597,1050 5.746,1051 6.815,1053 10.084,1054 5.655,1055 8.478,1056 -0.335,1057 10.412,1058 0.404,1059 6.176,1060 7.388,1062 11.565,1063 6.025,1064 9.829,1065 -0.406,1066 12.125,1067 -0.863,1068 7.563,1069 9.217,1071 14.099,1072 7.427,1073 11.197,1074 -0.783,1075 13.855,1076 -0.996,1077 8.309,1078 10.128,1080 15.886,1081 8.119,1082 12.577,1083 -0.791,1084 15.597,1085 -2.008,1086 9.506,1087 11.754,1089 18.221,1090 9.323,1091 2.901,1092 -1.274,1093 17.346,1094 -2.008,1095 10.403,1096 12.849,1098 20.164,1099 10.175,1100 2.828,1101 8.62,1102 19.102,1103 -3.162,1104 11.516,1105 14.364,1107 22.402,1108 11.286,1109 2.663,1110 8.345,1111 20.863,1112 3.874,1113 12.486,1114 15.564,1116 24.429,1117 12.221,1118 2.218,1119 7.934,1120 22.628,1121 3.869,1122 13.561,1123 17.015,1125 26.617,1126 13.287,1127 2.007,1128 6.568,1129 24.395,1130 2.953,1131 14.568,1132 18.278,1134 28.691,1135 14.266,1136 1.414,1137 5.918,1138 26.166,1139 2.822,1140 15.627,1141 19.69,1143 30.853,1144 15.312,1145 1.414,1146 3.532,1147 27.938,1148 2.445,1149 16.653,1150 20.989,1152 32.954,1153 16.314,1154 4939,1155 8619,1156 14.334,1157 28.193,1158 34.331,1159 34.718,1160 35.897,1161 34.022,1162 33.999,1163 43.121,1165 96.505,1166 33.004,1167 5.126,1168 5.102,1169 5.334,1170 4.885,1171 4.901,1172 6.874,1174 14.942,1175 4.863,1176 14.277,1177 1.493,1178 1.509,1179 1.561,1180 1.479,1181 1.478,1182 1.875,1184 4.196,1185 1.435,1186 3.988,1187 4.015,1188 3.919,1189 3.914,1190 6.535,1191 3.911,1192 3.901,1193 3.917,1194 3.849,1195 3.828,1196 6.525,1197 3.83,1198 3.678,1199 3.721,1200 3.556,1201 3.568,1202 6.402,1203 3.559,1204 3.276,1205 3.347,1206 3.118,1207 3.115,1208 6.402,1209 3.104,1210 3.029,1211 3.083,1212 2.891,1213 2.835,1214 4.559,1215 2.837,1216 3,1217 3.074,1218 2.805,1219 2.787,1220 4.503,1221 2.772,1222 2.923,1223 2.967,1224 2.787,1225 2.745,1226 4.165,1227 2.746,1228 2.923,1229 2.967,1230 2.753,1231 2.745,1232 3.78,1233 2.744,1234 0.184,1235 0.135,1236 0.262,1237 0.169,1238 0.126,1239 4.23,1240 0.168,1241 3.102,1243 6.023,1244 0.375,1245 3.885,1246 0.124,1247 2.901,1248 3.874,1250 8.62,1251 2.863,1252 1.955,1253 1.928,1254 2.101,1255 2.054,1256 1.426,1257 2.069,1258 1.885,1259 1.868,1260 1.988,1261 1.982,1262 1.149,1263 1.982,1264 1.679,1265 1.637,1266 1.861,1267 1.825,1268 0.991,1269 1.839,1270 1.287,1271 1.217,1272 1.621,1273 1.506,1274 0.761,1275 1.547,1276 0.999,1277 0.938,1278 1.34,1279 1.257,1280 0.475,1281 1.28,1282 0.993,1283 0.917,1284 1.329,1285 1.257,1286 0.475,1287 1.279,1288 0.883,1289 0.838,1290 1.137,1291 1.134,1292 0.155,1293 1.13,1294 0.883,1295 0.838,1296 1.135,1297 1.134,1298 0.15,1299 1.13,1300 3.85,1302 5.165,1304 6.658,1306 8.228,1308 9.833,1310 4.268,1314 37.756,1315 1.581,1320 0.722,1326 26.654,1327 59.049,1328 134.176,1329 161.195,1330 174.705,1331 178.705,1332 182.705,1333 57.742,1334 6.312,1335 80.92,1336 80.92,1337 12,1338 11.983,1339 3.7,1340 2.807,1341 42.444,1342 79,1343 68,1344 0.263,1345 167.066,1346 292.76,1347 399.402,1348 3960,1350 16.276,1351 0.74,1352 0.583,1353 16.276,1354 12.822,1355 10.363,1356 0.451,1357 0.321,1358 7.321,1359 10.095,1360 7.056,1361 5.928,1362 10.363,1363 7.382,1364 9.693,1365 0.303,1366 0.188,1367 9.693,1368 6.009,1369 7.795,1370 0.205,1371 0.11,1372 7.795,1373 4.166,1374 5.262,1375 0.125,1376 0.06,1377 5.262,1378 2.538,1379 4.201,1380 0.082,1381 0.034,1382 4.201,1383 1.752,1384 0.417,1385 64.488,1386 0.264,1387 21.964,1388 0.708,1389 110,1390 310.599,1391 118.415,1392 304.213,1393 398.4,1394 278,1395 125,1396 281.121,1397 133.194,1398 288.225,1399 411.46,1400 269,1401 5.635}
{0 CHEMBL523200,1 1.957,2 8.727,3 3.805,4 14.474,5 79.53,6 10.941,7 0.667,8 3.561,9 3.614,10 3.48,11 3.157,12 4.99,13 3.172,14 3.989,15 4.035,16 3.898,17 3.514,18 5.669,19 3.533,20 4.137,21 4.245,22 3.903,23 3.574,24 5.538,25 3.558,26 4.166,27 4.267,28 3.866,29 3.415,30 5.683,31 3.435,32 3.946,33 4.028,34 3.697,35 3.171,36 5.556,37 3.232,38 3.838,39 3.861,40 3.671,41 3.054,42 6.008,43 3.154,44 3.569,45 3.652,46 3.229,47 3.007,48 5.008,49 3.048,50 3.706,51 3.828,52 3.22,53 2.912,54 5.388,55 2.956,56 0.261,57 0.444,58 1.519,59 2.336,60 21.569,61 1.804,62 0.469,63 0.661,64 3.476,65 3.978,66 79.329,67 2.891,68 0.507,69 0.79,70 8.14,71 5.168,72 56.359,73 4.034,74 0.681,75 0.761,76 11.941,77 5.601,78 99.665,79 3.344,80 0.601,81 0.613,82 9.062,83 3.904,84 75.835,85 2.228,86 0.746,87 0.495,88 7.989,89 3.462,90 132.511,91 1.649,92 0.273,93 0.411,94 1.405,95 2.348,96 37.956,97 2.11,98 0.461,99 0.454,100 3.679,101 2.699,102 41.402,103 2.581,104 21,105 34,106 0.361,107 0.569,108 0.694,109 0.832,110 0.87,111 0.87,112 3.147,113 0.853,114 -4.77,115 -4.68,116 -4.4,120 44.8,143 7,145 3,147 1,153 1,163 1,167 4,174 4,176 3,177 7,185 4,189 13,197 4,200 1,201 11,209 2,213 6,214 7,222 2,226 8,227 2,235 2,239 2,240 2,247 6,251 4,252 6,260 4,264 6,274 626,275 14.585,276 14.585,277 14.585,278 14.585,279 14.585,280 12.116,281 11.783,282 8.519,283 14.932,284 11.851,285 11.851,286 11.851,287 11.851,288 11.851,289 8.17,290 12.964,291 4.041,292 12.439,293 2.901,294 1.769,295 1.091,296 0.345,297 0.138,298 0.138,299 3.824,306 1,307 1,308 409,309 3.162,312 44.591,313 131.149,316 88.227,320 1.298,321 37.514,324 1,325 1,326 1,327 0.4,329 0.83,330 1,331 0.75,332 50.5,333 192,334 4.497,335 4.581,336 6.465,337 4.014,338 3.069,339 4.406,340 2.95,341 10.024,342 2.907,343 4.426,344 3.811,345 6.238,346 3.919,347 2.948,348 4.209,349 2.612,350 9.441,351 2.863,352 4.082,353 3.744,354 5.851,355 3.524,356 2.57,357 3.686,358 2.612,359 7.913,360 2.446,361 3.613,362 3.171,363 5.232,364 3.076,365 2.175,366 3,368 6.426,369 1.934,370 3.355,371 2.699,372 4.738,373 2.753,374 1.793,375 2.712,377 4.876,378 1.711,379 3.032,380 2.101,381 4.414,382 2.513,383 1.532,384 2.298,386 4.312,387 1.5,388 2.938,389 1.532,390 3.841,391 2.356,392 1.375,393 2.081,395 3.028,396 1.339,397 2.81,398 1.482,399 3.604,400 2.199,401 1.217,402 1.924,404 2.896,405 1.189,406 2.606,407 1.424,408 3.593,409 2,410 1,411 1.595,413 2.414,414 1,415 1.847,416 1,417 3,418 1.321,419 0.347,420 0.521,422 0.86,423 0.338,424 1.432,425 1,426 2.949,427 0.983,428 0.1,429 0.129,431 0.269,432 0.086,433 1,434 0.89,435 2.321,436 0.328,437 -0.608,438 -0.815,440 -1.61,441 -0.552,442 1,443 0.36,444 2.194,445 0.17,446 -0.818,447 -1.175,449 -2,450 -0.805,451 0.803,452 0.347,453 2,454 0.044,455 -0.918,456 -1.321,458 -2,459 -0.885,460 0.654,461 -0.572,462 1.757,464 -1,465 -1.5,467 -2.331,468 -0.982,469 10.2,470 0.464,471 0.63,472 0.029,473 35,474 1.591,475 20.5,476 0.932,477 14.5,478 0.659,479 11.897,480 0.541,481 22.8,482 0.786,483 24.661,484 1.121,485 6.95,486 0.316,487 3.591,488 0.163,489 0.131,491 0.373,496 0.394,497 0.851,498 0.592,499 0.71,500 0.509,501 0.724,502 0.523,503 1.156,504 0.715,505 1.083,506 0.385,507 0.975,508 0.827,509 1.177,510 1.07,511 1.142,512 0.57,513 1.037,514 1.374,515 1.106,516 1.44,517 1.273,518 1.255,519 1.082,520 1.316,521 0.849,522 1.383,523 1.029,524 1.375,525 0.838,526 0.804,527 0.85,528 1.217,529 1.072,530 0.765,531 0.844,532 0.627,533 1.027,534 0.522,535 0.96,536 0.758,537 1.168,538 0.533,539 1.093,540 0.63,541 0.93,542 0.638,543 1.261,544 5,545 0.046,546 2.444,547 1.729,548 1.156,549 0.941,550 0.395,551 0.315,552 0.177,553 0.185,554 4769,555 20628,556 2.043,557 24.1,559 7,567 1.646,568 1.886,569 3.137,570 -0.583,572 1,574 1,575 56.76,576 1.957,577 3.089,578 3.767,579 4.513,580 4.72,581 4.72,582 2.517,583 3.698,584 4.432,585 3.277,586 757.06,587 7.62,588 8252.11,590 1,591 1,592 1,593 140.881,594 1.495,595 4.376,596 0.208,597 0.008,598 0.072,599 0.052,600 0.04,601 0.036,602 0.016,603 0.016,604 0.01,605 0.015,606 0.473,607 0.17,608 1,609 0.964,610 100.554,611 0.251,612 0.206,613 0.05,614 0.151,615 -0.001,616 0.026,617 0.223,618 -0.172,619 0.094,620 -0.122,621 0.257,622 -0.144,623 -0.102,624 -0.168,625 0.044,626 -0.06,627 0.033,628 0.001,629 -0.358,630 -0.103,631 -0.149,632 -0.102,633 -0.254,634 -0.042,635 -0.188,636 0.218,637 -0.208,638 0.074,639 -0.287,640 0.062,641 0.525,642 0.154,643 -0.177,644 -0.004,645 0.62,646 -0.077,647 0.088,648 -0.126,649 -0.036,650 -0.268,651 -0.058,652 -0.306,653 0.356,654 -0.184,655 0.069,656 -0.198,657 0.19,658 -0.266,659 2.68,660 4.078,661 0.682,662 16.719,663 1.062,664 1.114,665 3.54,666 12.528,667 0.74,668 3.219,669 3.555,670 3.807,671 4.06,672 4.263,673 4.317,674 4.394,675 4.489,676 4.419,677 4.533,678 5.369,679 0.754,680 317.3,681 3.219,682 4.762,683 5.609,684 6.491,685 7.359,686 8.244,687 9.119,688 10.004,689 10.882,690 11.767,691 10.3,701 1,702 2,708 2,709 7,710 1,712 1,714 4,716 16,731 2,738 29,739 20,740 2,741 24,743 31,744 13,745 13,746 5,747 7,752 3,753 4,768 13,772 4,775 2,778 4,786 1,789 7,790 6,792 9,793 1,797 3,803 0.667,804 5,808 1,822 1,823 2,826 1,855 2,856 1,857 1,862 22,873 1,886 17.2,891 1,892 4,893 11.667,894 5.433,895 4.778,896 1.569,898 3.479,899 1.505,900 0.976,901 3.793,902 10.369,903 3.611,904 4.287,905 4.853,906 5.46,907 5.981,908 6.31,909 6.673,910 7.059,911 7.168,912 7.662,913 0.833,914 33,915 8.089,917 3.579,918 8.424,919 14.374,921 11.517,924 2.924,925 64.333,929 82.398,930 115.983,931 28.126,933 111.001,935 32.22,936 83.763,937 193.399,938 28.126,939 11.34,941 66.334,942 16.786,943 22.101,944 4.836,945 114.617,946 101.494,947 82.398,948 111.889,949 111.001,950 32.22,952 82.398,953 9.507,954 101.494,956 5.529,957 78.234,958 28.126,959 32.22,960 82.398,961 139.127,962 115.983,965 82.398,966 49.649,967 77.674,969 127.787,970 82.398,971 139.127,972 115.983,973 0.588,974 0.338,975 0.178,976 0.099,977 17,978 8,979 0.129,980 4,981 1,982 1.133,983 3.388,984 172.263,985 0.133,986 15,987 94.107,989 1,993 14.506,994 5.753,995 2.961,996 1.198,997 127.787,998 10.52,999 4.206,1001 5.48,1003 -0.24,1006 337.508,1007 36,1010 -1.348,1013 43.571,1020 30.786,1021 32.292,1022 0.403,1023 0.636,1024 0.775,1025 0.929,1026 0.972,1027 0.972,1028 4.828,1029 1.217,1030 5.609,1031 3.028,1032 4.234,1033 4.973,1034 3.709,1035 6.422,1036 4.141,1037 6.078,1038 1,1039 7.174,1040 2.896,1041 3.892,1042 4.966,1043 3.006,1044 7.318,1045 3.737,1046 7.412,1047 0.347,1048 8.836,1049 2.414,1050 5.832,1051 7.283,1052 5.627,1053 10.39,1054 5.643,1055 8.781,1056 0.1,1057 10.553,1058 0.86,1059 6.275,1060 8.068,1061 5.194,1062 12.087,1063 6.027,1064 10.179,1065 -0.608,1066 12.304,1067 0.269,1068 7.717,1069 9.88,1070 7.642,1071 14.662,1072 7.442,1073 11.596,1074 -0.818,1075 14.078,1076 -1.61,1077 8.514,1078 11.022,1079 7.248,1080 16.69,1081 8.184,1082 13.029,1083 -0.918,1084 15.869,1085 -2,1086 9.755,1087 12.634,1088 9.7,1089 19.082,1090 9.396,1091 3.069,1092 -1,1093 17.671,1094 -2,1095 10.716,1096 13.943,1097 9.241,1098 21.253,1099 10.304,1100 2.948,1101 10.024,1102 19.482,1103 -2.331,1104 11.872,1105 15.469,1106 11.787,1107 23.576,1108 11.427,1109 2.57,1110 9.441,1111 21.301,1112 4.406,1113 12.908,1114 16.857,1115 11.202,1116 25.81,1117 12.413,1118 2.175,1119 7.913,1120 23.124,1121 4.209,1122 14.03,1123 18.347,1124 13.892,1125 28.108,1126 13.498,1127 1.793,1128 6.426,1129 24.952,1130 3.686,1131 15.102,1132 19.774,1133 13.145,1134 30.37,1135 14.52,1136 1.532,1137 4.876,1138 26.784,1139 3,1140 16.211,1141 21.248,1142 16.01,1143 32.659,1144 15.588,1145 1.375,1146 4.312,1147 28.618,1148 2.712,1149 17.3,1150 22.694,1151 15.079,1152 34.935,1153 16.629,1154 4694,1155 9931,1156 15.72,1157 21.46,1158 36.412,1159 40.171,1160 37.516,1161 36.236,1162 36.253,1163 53.122,1164 16.35,1165 104.918,1166 34.626,1167 5.281,1168 6.581,1169 6.147,1170 5.173,1171 5.069,1172 7.406,1173 5.9,1174 16.666,1175 4.907,1176 11.579,1177 1.517,1178 1.674,1179 1.563,1180 1.51,1181 1.511,1182 2.213,1183 0.681,1184 4.372,1185 1.443,1186 4.085,1187 4.097,1188 4.175,1189 3.972,1190 7.819,1191 3.976,1192 4.001,1193 4.021,1194 3.977,1195 3.864,1196 7.811,1197 3.876,1198 3.644,1199 3.661,1200 3.682,1201 3.269,1202 6.999,1203 3.285,1204 3.382,1205 3.396,1206 3.558,1207 3.096,1208 6.999,1209 3.178,1210 3.269,1211 3.294,1212 3.216,1213 2.925,1214 5.202,1215 2.99,1216 2.894,1217 2.949,1218 2.904,1219 2.759,1220 4.61,1221 2.754,1222 2.695,1223 2.746,1224 2.775,1225 2.556,1226 4.392,1227 2.517,1228 2.597,1229 2.606,1230 2.535,1231 2.403,1232 3.956,1233 2.452,1234 0.187,1235 0.191,1236 0.269,1237 0.167,1238 0.128,1239 4.497,1240 0.184,1241 4.581,1242 0.123,1243 6.465,1244 0.418,1245 4.014,1246 0.121,1247 3.069,1248 4.406,1249 2.95,1250 10.024,1251 2.907,1252 1.927,1253 1.91,1254 1.993,1255 2.12,1256 1.104,1257 2.066,1258 1.893,1259 1.871,1260 1.978,1261 1.988,1262 1.067,1263 1.989,1264 1.314,1265 1.306,1266 1.305,1267 1.833,1268 0.323,1269 1.672,1270 1.21,1271 1.199,1272 1.259,1273 1.523,1274 0.213,1275 1.458,1276 1.05,1277 1.019,1278 1.192,1279 1.423,1280 0.187,1281 1.351,1282 0.901,1283 0.868,1284 1.063,1285 1.092,1286 0.137,1287 1.084,1288 0.729,1289 0.688,1290 0.861,1291 0.911,1293 0.949,1294 0.594,1295 0.551,1296 0.795,1297 0.892,1299 0.908,1300 3.892,1302 5.22,1303 2.398,1304 6.735,1305 4.727,1306 8.334,1307 6.823,1308 9.977,1319 0.947,1326 21.879,1327 56.76,1328 89.578,1329 109.23,1330 130.881,1331 136.881,1332 136.881,1333 46.535,1334 6.89,1335 117.67,1336 142.97,1337 17,1338 12.301,1339 4.392,1340 3.7,1341 34.427,1342 70,1343 60,1344 0.243,1345 138.439,1346 235.38,1347 329.551,1348 8128,1350 15.69,1351 0.713,1352 0.53,1353 16.043,1354 11.649,1355 10.542,1356 0.439,1357 0.284,1358 5.948,1359 9.439,1360 5.82,1361 4.803,1362 10.95,1363 6.823,1364 9.863,1365 0.29,1366 0.153,1367 10.532,1368 5.209,1369 7.863,1370 0.179,1371 0.085,1372 8.601,1373 3.736,1374 6.495,1375 0.114,1376 0.047,1377 7.409,1378 2.675,1379 5.207,1380 0.074,1381 0.027,1382 6.158,1383 1.871,1384 0.374,1385 72.355,1386 0.252,1387 21.523,1388 0.686,1389 116,1390 502.473,1391 162.014,1392 492.422,1393 646.12,1394 450,1395 136,1396 463.562,1397 176.335,1398 467.557,1399 677.28,1400 436,1401 4.933}
{0 CHEMBL528694,1 1.589,2 8.579,3 3.477,4 12.088,5 76.603,6 8.657,7 0.81,8 3.552,9 3.664,10 3.321,11 3.208,12 4.714,13 3.158,14 3.996,15 4.148,16 3.661,17 3.523,18 5.124,19 3.461,20 4.113,21 4.308,22 3.538,23 3.507,24 5.189,25 3.424,26 4.102,27 4.322,28 3.519,29 3.444,30 5.134,31 3.334,32 3.986,33 4.203,34 3.496,35 3.427,36 4.97,37 3.267,38 3.846,39 4.048,40 3.189,41 3.277,42 4.818,43 3.11,44 3.609,45 3.804,46 2.776,47 2.996,48 4.592,49 2.873,50 3.511,51 3.744,52 2.714,53 2.844,54 4.498,55 2.762,56 0.011,57 0.486,58 5.18,59 2.578,60 4.5,61 3.022,62 0.11,63 0.781,64 11.068,65 4.23,66 10.25,67 5.042,68 0.105,69 0.843,70 12.441,71 4.8,72 15.334,73 5.736,74 0.193,75 0.852,76 13.872,77 4.515,78 18.667,79 5.322,80 0.097,81 0.73,82 14.088,83 5.429,84 13.333,85 6.278,86 0.137,87 0.663,88 17.332,89 5.274,90 13.222,91 5.044,92 0.07,93 0.48,94 8.362,95 3.275,96 7.945,97 3.962,98 0.044,99 0.414,100 6.706,101 2.716,102 7.778,103 3.698,104 2,105 28,106 0.296,107 0.627,108 0.787,109 0.869,110 0.893,111 0.893,112 3.01,113 0.966,114 -4.25,115 -4.19,116 -3.95,120 45.2,121 1,143 5,144 1,146 2,147 2,148 1,152 1,163 1,174 5,177 5,180 2,182 2,185 3,188 1,189 4,194 2,197 1,200 1,201 4,206 1,209 2,214 3,217 1,219 1,222 3,227 1,232 1,235 2,239 1,240 2,245 1,247 1,252 3,260 3,264 2,271 4,274 405,275 13.137,276 13.137,277 13.137,278 13.137,279 13.137,280 11.052,281 10.081,282 8.005,283 13.575,284 10.399,285 10.399,286 10.399,287 10.399,288 10.399,289 7.433,290 16.71,291 3.84,292 11.14,293 3.365,294 1.584,295 0.721,296 0.282,297 0.153,298 0.153,299 3.692,305 1,306 1,307 1,308 354,309 1.871,312 49.272,313 123.731,320 1.435,321 9.738,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 40,333 163,334 4.314,335 3.056,336 6.193,337 3.879,338 2.949,339 3.971,340 0.4,341 9.269,342 2.759,343 4.153,344 2.865,345 6.045,346 3.746,347 2.782,348 3.766,350 8.676,351 2.681,352 3.719,353 2.394,354 5.271,355 3.193,356 2.302,357 3.238,359 6.665,360 2.034,361 3.136,362 1.795,363 4.371,364 2.686,365 1.724,366 2.379,368 4.289,369 1.649,370 2.879,371 1.545,372 4.089,373 2.386,374 1.414,375 2.05,377 3.572,378 1.371,379 2.822,380 1.446,381 3.598,382 2.355,383 1.414,384 1.95,386 2.968,387 1.323,388 2.527,389 1.085,390 3.48,391 2.006,392 1.058,393 1.54,395 2.577,396 0.995,397 2.5,398 1,399 3.265,400 1.956,401 1,402 1.5,404 2.136,405 0.953,406 2.169,407 0.679,408 3.247,409 1.475,410 0.676,411 1.007,413 1.656,414 0.53,415 1.399,416 0.334,417 2.832,418 1.062,419 0.128,420 0.158,422 0.303,423 0.119,424 0.81,425 -0.291,426 2.256,427 0.44,428 -0.511,429 -0.633,431 -1.245,432 -0.484,433 0.72,434 -0.675,435 2,436 0.254,437 -0.699,438 -0.95,440 -1.603,441 -0.656,442 0.5,443 -0.877,444 1.849,445 0.003,446 -0.948,447 -1.307,449 -2.347,450 -0.901,451 0.472,452 -1,453 1.555,454 -0.025,455 -1,456 -1.5,458 -2.419,459 -0.972,460 0.021,461 -1.25,462 1.424,463 -0.432,464 -1.414,465 -1.881,467 -3.459,468 -1.157,469 9.433,470 0.496,471 0.346,472 0.018,473 29,474 1.526,475 16.5,476 0.868,477 12.5,478 0.658,479 11.298,480 0.595,481 18.767,482 0.605,483 16.438,484 0.865,485 5.646,486 0.297,487 3.68,488 0.194,489 0.053,491 0.265,496 0.92,497 1.183,498 0.698,499 0.842,500 0.89,501 0.809,502 0.773,503 1.174,504 0.866,505 1.05,506 0.829,507 0.911,508 1.191,509 1.187,510 0.918,511 0.975,512 1.044,513 1.007,514 1.493,515 0.955,516 0.995,517 0.879,518 1.38,519 0.936,520 0.818,521 0.946,522 1.058,523 0.988,524 0.727,525 0.89,526 1.609,527 1.022,528 2.178,529 1.582,530 1.333,531 1.083,532 0.877,533 1.087,534 1.234,535 1.277,536 0.902,537 1.3,538 0.806,539 0.964,540 0.541,541 0.732,542 0.686,543 0.874,544 3,545 0.029,546 1.778,547 0.91,548 0.703,549 0.316,550 0.267,551 0.153,552 0.058,553 0.041,554 3548,555 9619,556 2.145,557 38.7,558 3,559 5,560 1,561 2,562 1,567 1.599,568 2.073,569 3.111,570 -0.249,572 1,574 1,575 49.258,576 1.589,577 3.37,578 4.233,579 4.672,580 4.801,581 4.801,582 2.505,583 3.932,584 4.222,585 3.228,586 551.967,587 7.169,588 5469.65,589 1,590 1,591 1,592 1,593 153.58,594 1.105,595 4.207,596 0.143,597 0.006,598 0.063,599 0.036,600 0.033,601 0.016,602 0.017,603 0.013,604 0.005,605 0.004,606 0.336,607 0.5,608 1,609 0.447,610 82.989,611 -0.062,612 -0.149,613 0.063,614 0.013,615 -0.114,616 0.013,617 0.248,618 -0.131,619 0.059,620 -0.116,621 0.098,622 -0.041,623 -0.065,624 -0.171,625 -0.063,626 -0.105,628 -0.119,629 -0.185,630 0.106,631 0.005,632 0.062,633 -0.249,634 -0.028,635 0.12,636 0.036,637 0.194,638 0.172,639 0.21,640 0.141,641 -0.44,642 0.091,643 -0.499,644 -0.172,645 -0.278,646 -0.055,647 -0.025,648 -0.144,649 -0.355,650 -0.354,651 -0.066,652 -0.354,653 0.034,654 -0.091,655 0.116,656 0.048,657 0.27,658 0.101,659 0.845,660 1.522,661 0.895,662 13.385,663 1.001,664 1.115,665 3.017,666 9.1,667 0.733,668 3.091,669 3.367,670 3.611,671 3.829,672 3.97,673 3.912,674 4.007,675 4.078,676 4.078,677 4.043,678 5.162,679 0.69,680 268.37,681 3.091,682 4.595,683 5.425,684 6.275,685 7.12,686 7.975,687 8.827,688 9.683,689 10.538,690 11.395,691 12.9,699 1,701 3,709 8,710 3,713 1,714 5,716 17,729 1,738 31,739 17,741 21,743 33,744 14,745 13,752 3,753 3,759 1,768 13,769 1,785 1,786 1,789 12,790 4,791 1,792 5,793 1,797 4,803 1,816 2,822 1,823 2,855 3,857 1,859 1,862 19,871 1,879 1,893 9.167,894 5.933,895 4.222,896 1.736,898 3.079,899 1.475,900 1.016,901 3.405,902 9.567,903 3.418,904 4.012,905 4.579,906 5.133,907 5.564,908 5.68,909 6.069,910 6.436,911 6.747,912 7.008,913 0.833,914 25,915 6.951,917 2.859,918 7.588,919 13.34,921 10.57,924 2.088,925 39.667,926 0.001,929 129.482,930 124.756,931 68.367,935 31.278,936 93.478,937 129.482,938 68.367,939 8.825,941 55.03,942 73.899,943 45.305,944 14.099,945 125.447,947 129.482,948 161.845,950 31.278,952 129.482,956 50.945,957 60.544,958 50.357,959 31.278,960 129.482,961 68.367,962 124.756,965 129.482,966 42.805,967 81.95,968 18.011,969 50.357,970 129.482,971 68.367,972 124.756,973 0.569,974 0.33,975 0.177,976 0.092,977 14,978 5,979 0.091,980 3,982 1,983 3.283,984 135.941,986 17,987 78.711,989 1,993 12.092,994 5.35,995 2.728,997 68.367,998 15.259,999 13.105,1002 1.546,1003 4.509,1005 18.011,1006 322.605,1007 29.5,1020 31.018,1021 34.574,1022 0.321,1023 0.68,1024 0.854,1025 0.943,1026 0.969,1027 0.969,1028 4.598,1029 1,1030 5.371,1031 2.577,1032 4.043,1033 4.696,1034 0.278,1035 6.116,1036 3.912,1037 5.788,1038 0.676,1039 6.882,1040 2.136,1041 3.434,1042 4.227,1044 6.862,1045 3.26,1046 7.067,1047 0.128,1048 8.496,1049 1.656,1050 5.565,1051 6.855,1052 0.05,1053 9.947,1054 5.314,1055 8.384,1056 -0.511,1057 10.171,1058 0.303,1059 5.832,1060 7.259,1062 11.553,1063 5.528,1064 9.733,1065 -0.699,1066 11.887,1067 -1.245,1068 7.37,1069 9.266,1070 0.008,1071 14.096,1072 7.009,1073 11.105,1074 -0.948,1075 13.63,1076 -1.603,1077 8.047,1078 10.098,1080 16.038,1081 7.631,1082 12.494,1083 -1,1084 15.391,1085 -2.347,1086 9.325,1087 11.808,1088 0.001,1089 18.383,1090 8.858,1091 2.949,1092 -1.414,1093 17.165,1094 -2.419,1095 10.199,1096 12.868,1098 20.47,1099 9.676,1100 2.782,1101 9.269,1102 18.948,1103 -3.459,1104 11.36,1105 14.423,1107 22.735,1108 10.785,1109 2.302,1110 8.676,1111 20.738,1112 3.971,1113 12.33,1114 15.61,1116 24.886,1117 11.698,1118 1.724,1119 6.665,1120 22.532,1121 3.766,1122 13.437,1123 17.08,1125 27.119,1126 12.752,1127 1.414,1128 4.289,1129 24.33,1130 3.238,1131 14.455,1132 18.341,1134 29.3,1135 13.711,1136 1.414,1137 3.572,1138 26.131,1139 2.379,1140 15.538,1141 19.764,1143 31.52,1144 14.739,1145 1.058,1146 2.968,1147 27.935,1148 2.05,1149 16.58,1150 21.067,1152 33.716,1153 15.72,1154 3407,1155 5737,1156 14.504,1157 22.716,1158 31.153,1159 30.988,1160 31.447,1161 30.823,1162 30.897,1163 43.118,1164 0.8,1165 84.219,1166 28.824,1167 5.085,1168 5.056,1169 5.995,1170 4.993,1171 4.949,1172 6.971,1173 0.8,1174 15.572,1175 4.704,1176 5.202,1177 1.483,1178 1.476,1179 1.497,1180 1.468,1181 1.471,1182 2.053,1183 0.038,1184 4.01,1185 1.373,1186 3.975,1187 4.01,1188 4.23,1189 3.909,1190 5,1191 3.881,1192 3.865,1193 3.906,1194 3.815,1195 3.765,1196 4.88,1197 3.769,1198 3.639,1199 3.669,1200 3.742,1201 3.606,1202 4.668,1203 3.551,1204 3.152,1205 3.242,1206 2.966,1207 2.993,1208 3.966,1209 2.975,1210 2.981,1211 3.064,1212 2.874,1213 2.802,1214 3.914,1215 2.798,1216 2.794,1217 2.87,1218 2.792,1219 2.645,1220 3.826,1221 2.635,1222 2.666,1223 2.731,1224 2.624,1225 2.507,1226 3.59,1227 2.497,1228 2.531,1229 2.635,1230 2.365,1231 2.302,1232 3.424,1233 2.287,1234 0.205,1235 0.146,1236 0.295,1237 0.185,1238 0.14,1239 4.314,1240 0.189,1241 3.056,1242 0.019,1243 6.193,1244 0.441,1245 3.879,1246 0.131,1247 2.949,1248 3.971,1249 0.4,1250 9.269,1251 2.759,1252 1.857,1253 1.818,1254 1.975,1255 1.994,1256 1.047,1257 1.99,1258 1.84,1259 1.805,1260 1.947,1261 1.96,1262 0.974,1263 1.96,1264 1.319,1265 1.319,1266 1.52,1267 1.483,1268 0.571,1269 1.461,1270 1.269,1271 1.221,1272 1.402,1273 1.404,1274 0.547,1275 1.449,1276 1.173,1277 1.089,1278 1.25,1279 1.357,1280 0.38,1281 1.419,1282 0.799,1283 0.73,1284 1.086,1285 1.003,1286 0.123,1287 1.038,1288 0.677,1289 0.612,1290 0.9,1291 0.883,1293 0.908,1294 0.531,1295 0.437,1296 0.811,1297 0.785,1299 0.826,1300 3.761,1302 5.043,1303 2.398,1304 6.521,1305 4.595,1306 8.079,1307 6.581,1308 9.677,1310 2.016,1317 3.231,1326 21.38,1327 49.258,1328 104.461,1329 131.216,1330 144.825,1331 148.825,1332 148.825,1333 18.19,1334 6.488,1335 50.7,1336 78.94,1337 17,1338 11.948,1339 4.17,1340 3.248,1341 27.927,1342 59,1343 50,1344 0.236,1345 137.772,1346 222.37,1347 327.924,1348 5124,1350 13.079,1351 0.688,1352 0.589,1353 13.433,1354 11.185,1355 9.326,1356 0.444,1357 0.322,1358 5.897,1359 8.617,1360 5.643,1361 4.733,1362 9.781,1363 6.763,1364 8.095,1365 0.289,1366 0.175,1367 8.672,1368 4.905,1369 6.823,1370 0.19,1371 0.095,1372 7.463,1373 3.424,1374 5.533,1375 0.123,1376 0.053,1377 6.266,1378 2.384,1379 4.255,1380 0.082,1381 0.029,1382 4.893,1383 1.513,1384 0.368,1385 62.225,1386 0.263,1387 19.173,1388 0.65,1389 98,1390 276.129,1391 129.055,1392 296.914,1393 415.11,1394 280,1395 113,1396 299.4,1397 139.672,1398 320.402,1399 464.68,1400 301,1401 5.477}
{0 CHEMBL531079,1 1.736,2 11.083,3 3.552,4 12.614,5 92.761,6 8.816,7 0.654,8 3.771,9 3.881,10 3.471,11 3.374,12 4.979,13 3.361,14 4.254,15 4.399,16 3.826,17 3.734,18 5.487,19 3.702,20 4.522,21 4.722,22 3.896,23 3.821,24 5.731,25 3.773,26 4.485,27 4.68,28 3.801,29 3.694,30 5.885,31 3.642,32 4.407,33 4.624,34 3.544,35 3.612,36 5.54,37 3.514,38 4.352,39 4.597,40 3.412,41 3.505,42 5.381,43 3.38,44 4.233,45 4.492,46 3.288,47 3.361,48 5.318,49 3.249,50 4.033,51 4.259,52 3.275,53 3.26,54 5.211,55 3.195,56 0.074,57 0.62,58 5.677,59 3.238,60 8.376,61 3.777,62 0.194,63 0.972,64 11.026,65 5.36,66 18.529,67 6.408,68 0.368,69 1.206,70 20.907,71 7.51,72 44.747,73 9.021,74 0.608,75 1.157,76 19.588,77 6.886,78 86.031,79 8,80 0.405,81 0.993,82 17.807,83 6.756,84 56.185,85 8.177,86 0.369,87 0.918,88 19.746,89 6.76,90 50.646,91 8.612,92 0.391,93 0.839,94 19.106,95 5.96,96 44.519,97 7.742,98 0.274,99 0.658,100 15.382,101 4.828,102 35.875,103 5.892,104 10,105 35,106 0.307,107 0.633,108 0.762,109 0.889,110 0.916,111 0.916,112 3.227,113 0.904,114 -4.68,115 -4.6,116 -4.32,120 46.2,126 2,143 8,144 2,145 3,146 1,147 1,159 1,174 6,177 4,180 1,182 3,185 10,189 2,193 1,194 2,197 5,201 4,204 1,206 4,209 3,214 1,217 1,219 4,232 3,235 1,240 2,243 1,245 4,247 2,252 1,257 1,260 3,263 1,264 3,269 1,271 7,274 764,275 16.259,276 16.259,277 16.259,278 16.259,279 16.259,280 14.052,281 15.029,282 9.775,283 16.613,284 12.826,285 12.826,286 12.826,287 12.826,288 12.826,289 9.547,290 18.517,291 4.616,292 13.437,293 3.549,294 1.706,295 0.974,296 0.256,297 0.103,298 0.103,299 3.911,303 1,305 1,306 1,307 1,308 570,309 3.162,313 212.13,317 109.315,320 1.507,321 29.006,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 52.333,333 266,334 4.516,335 3.607,336 6.517,337 4.03,338 3.054,339 4.458,340 1.058,341 10.248,342 2.978,343 4.309,344 3.148,345 6.385,346 3.937,347 2.951,348 3.916,349 0.4,350 9.619,351 2.903,352 3.716,353 2.885,354 5.323,355 3.259,356 2.344,357 3.17,359 6.718,360 2.123,361 3.423,362 2.797,363 4.903,364 3.029,365 2.062,366 2.661,368 5.36,369 1.977,370 3.296,371 2.156,372 4.814,373 2.81,374 1.897,375 2.625,377 5.285,378 1.676,379 2.994,380 1.709,381 4.2,382 2.508,383 1.544,384 2.219,386 3.834,387 1.474,388 2.862,389 1.66,390 3.896,391 2.403,392 1.434,393 2.017,395 3.281,396 1.378,397 2.668,398 1.541,399 3.607,400 2.378,401 1.414,402 1.704,404 2.986,405 1.346,406 2.51,407 1.315,408 3.505,409 2.065,410 1.08,411 1.485,413 2.537,414 1.059,415 2.296,416 1.11,417 3.317,418 1.871,419 0.888,420 1.206,422 2.042,423 0.864,424 1.563,425 0.787,426 2.821,427 1.28,428 0.332,429 0.388,431 0.738,432 0.31,433 1.151,434 0.396,435 2.456,436 0.695,437 -0.22,438 -0.268,440 -0.498,441 -0.159,442 1.093,443 0.302,444 2.323,445 0.62,446 -0.241,447 -0.316,449 -0.564,450 -0.205,451 1.028,452 -0.046,453 2.27,454 0.601,455 -0.371,456 -0.486,458 -0.861,459 -0.353,460 0.639,461 -0.427,462 2,463 0.201,464 -0.776,465 -1.021,467 -1.979,468 -0.725,469 11.533,470 0.481,471 0.524,472 0.022,473 33.25,474 1.385,475 18,476 0.75,477 15.25,478 0.635,479 16.067,480 0.669,481 25.067,482 0.643,483 23.446,484 0.977,485 6.859,486 0.286,487 4.789,488 0.2,489 0.116,491 0.303,494 1,496 0.626,497 1.029,498 0.578,499 0.857,500 0.536,501 0.811,502 0.689,503 1.08,504 0.71,505 0.959,506 0.585,507 0.955,508 1.007,509 1.036,510 0.932,511 0.954,512 0.921,513 0.919,514 1.081,515 1.033,516 0.973,517 1.042,518 1.138,519 1.08,520 1.036,521 0.974,522 0.926,523 0.997,524 1.125,525 1.121,526 0.888,527 0.988,528 0.985,529 1.072,530 0.901,531 1.13,532 0.864,533 0.773,534 1.009,535 0.923,536 0.824,537 0.966,538 1.109,539 0.768,540 1.033,541 0.827,542 1.083,543 0.801,544 4,545 0.124,546 2.889,547 1.75,548 1.129,549 0.472,550 0.262,551 0.193,552 0.218,553 0.16,554 7006,555 23789,556 2.064,557 38.5,559 12,561 1,562 2,567 1.663,568 1.946,569 3.411,570 0.296,572 1,574 1,575 67.714,576 1.736,577 3.58,578 4.311,579 5.029,580 5.183,581 5.183,582 2.836,583 4.168,584 4.563,585 3.579,586 987.693,587 7.836,588 12208.5,589 1,590 1,591 1,592 1,593 206.131,594 1.347,595 4.522,596 0.154,597 0.006,598 0.083,599 0.049,600 0.038,601 0.021,602 0.014,603 0.011,604 0.011,605 0.008,606 0.393,607 0.33,608 1,609 0.566,610 116.425,611 -0.06,612 -0.044,613 0.004,614 0.023,615 -0.048,616 0.036,617 -0.009,618 -0.108,619 -0.018,620 -0.065,621 0.018,622 -0.075,623 -0.088,624 -0.066,625 -0.011,626 -0.006,627 -0.039,628 0.035,629 0.078,630 0.008,631 -0.087,632 -0.111,633 0.091,634 -0.162,635 -0.11,636 -0.073,637 -0.092,638 -0.055,639 -0.136,640 -0.145,641 -0.042,642 -0.114,643 -0.02,644 -0.091,645 -0.078,646 -0.092,647 0.034,648 0.134,649 0.015,650 0.06,651 0.003,652 0.079,653 -0.128,654 0.1,655 0.022,656 0.164,657 -0.073,658 0.217,659 2.194,660 5.527,661 0.667,662 19.014,663 1.017,664 1.125,665 3.448,666 11.889,667 0.708,668 3.296,669 3.584,670 3.829,671 4.043,672 4.205,673 4.127,674 4.111,675 4.143,676 4.174,677 4.078,678 6.591,679 0.684,680 343.81,681 3.296,682 4.812,683 5.645,684 6.503,685 7.351,686 8.212,687 9.064,688 9.927,689 10.782,690 11.646,691 7.7,696 1,698 1,701 1,708 2,709 9,710 1,714 4,716 17,723 1,729 1,737 2,738 39,739 18,740 2,741 26,743 41,744 18,745 15,746 5,747 7,748 1,752 3,753 4,754 1,768 16,769 2,772 1,778 1,782 1,785 1,786 1,787 1,789 15,790 5,791 2,792 6,793 1,797 3,803 0.667,804 1,816 1,823 3,827 1,855 2,860 1,861 1,862 24,869 2,871 2,885 2,886 2.6,889 1,893 12.333,894 6.902,895 5.361,896 2.244,898 3.246,899 1.468,900 1.004,901 5.163,902 10.179,903 3.597,904 4.205,905 4.802,906 5.374,907 5.903,908 6.047,909 6.295,910 6.563,911 6.815,912 6.472,913 1,914 36,915 8.866,917 3.779,918 7.991,919 16.486,921 13.217,924 2.491,925 59.778,929 153.024,930 117.055,931 52.807,932 39.149,933 25.145,934 14.96,936 117.055,937 217.318,938 67.767,940 22.222,941 75.81,942 76.417,943 32.328,944 14.96,945 141.253,946 39.149,947 153.024,948 169.862,949 40.105,950 39.149,952 167.984,953 25.145,956 33.414,957 101.652,958 73.945,960 167.984,961 77.952,962 156.203,965 153.024,966 32.197,967 84.857,968 36.022,969 96.039,970 153.024,971 92.912,972 156.203,973 0.573,974 0.337,975 0.183,976 0.094,977 16,978 7,979 0.122,980 5,981 1,982 1.125,983 3.71,984 183.902,985 0.125,986 16,987 110.039,993 16.53,994 7.496,995 3.97,996 1.741,997 92.912,998 14.941,999 4.273,1003 1.044,1005 36.022,1006 402.14,1007 35.5,1013 11.923,1017 -0.429,1020 39.654,1021 43.894,1022 0.328,1023 0.677,1024 0.816,1025 0.951,1026 0.981,1027 0.981,1028 4.798,1029 1.414,1030 5.609,1031 3.281,1032 4.263,1033 4.89,1034 1.27,1035 6.385,1036 4.178,1037 6.002,1038 1.08,1039 7.148,1040 2.986,1041 3.761,1042 4.677,1044 7.248,1045 3.608,1046 7.303,1047 0.888,1048 8.791,1049 2.537,1050 5.814,1051 7.132,1052 1.27,1053 10.346,1054 5.673,1055 8.644,1056 0.332,1057 10.5,1058 2.042,1059 6.155,1060 7.775,1062 12.074,1063 5.976,1064 10.019,1065 -0.22,1066 12.25,1067 0.738,1068 7.661,1069 9.69,1070 1.34,1071 14.674,1072 7.483,1073 11.42,1074 -0.241,1075 14.03,1076 -0.498,1077 8.408,1078 10.752,1080 16.745,1081 8.207,1082 12.84,1083 -0.371,1084 15.831,1085 -0.564,1086 9.68,1087 12.429,1088 1.423,1089 19.167,1090 9.472,1091 3.054,1092 -0.776,1093 17.648,1094 -0.861,1095 10.62,1096 13.703,1098 21.376,1099 10.393,1100 2.951,1101 10.248,1102 19.476,1103 -1.979,1104 11.793,1105 15.27,1106 1.51,1107 23.729,1108 11.553,1109 2.344,1110 9.619,1111 21.312,1112 4.458,1113 12.822,1114 16.649,1116 25.995,1117 12.562,1118 2.062,1119 6.718,1120 23.155,1121 3.916,1122 13.953,1123 18.167,1124 1.599,1125 28.323,1126 13.677,1127 1.897,1128 5.36,1129 25.003,1130 3.17,1131 15.022,1132 19.598,1134 30.613,1135 14.726,1136 1.544,1137 5.285,1138 26.855,1139 2.661,1140 16.137,1141 21.096,1142 1.69,1143 32.93,1144 15.822,1145 1.434,1146 3.834,1147 28.71,1148 2.625,1149 17.225,1150 22.554,1152 35.232,1153 16.888,1154 6755,1155 12558,1156 17.394,1157 27.597,1158 38.269,1159 39.761,1160 39.346,1161 38.238,1162 37.998,1163 51.7,1164 2.917,1165 105.296,1166 36.174,1167 5.435,1168 5.607,1169 6.207,1170 5.069,1171 5.054,1172 7.458,1173 2.117,1174 17.078,1175 4.978,1176 10.875,1177 1.472,1178 1.529,1179 1.513,1180 1.471,1181 1.461,1182 1.988,1183 0.112,1184 4.05,1185 1.391,1186 4.073,1187 4.101,1188 4.1,1189 4.003,1190 8.201,1191 4.006,1192 3.931,1193 3.955,1194 3.89,1195 3.848,1196 7.429,1197 3.852,1198 3.61,1199 3.682,1200 3.677,1201 3.443,1202 5.055,1203 3.443,1204 3.444,1205 3.487,1206 3.44,1207 3.307,1208 4.706,1209 3.31,1210 3.21,1211 3.262,1212 3.13,1213 2.995,1214 4.626,1215 3.018,1216 2.982,1217 3.035,1218 3.044,1219 2.855,1220 4.271,1221 2.851,1222 2.899,1223 2.957,1224 2.837,1225 2.733,1226 4.088,1227 2.734,1228 2.72,1229 2.815,1230 2.807,1231 2.611,1232 3.929,1233 2.592,1234 0.174,1235 0.139,1236 0.251,1237 0.155,1238 0.117,1239 4.516,1240 0.171,1241 3.607,1242 0.041,1243 6.517,1244 0.394,1245 4.03,1246 0.115,1247 3.054,1248 4.458,1249 1.058,1250 10.248,1251 2.978,1252 2.03,1253 2.008,1254 2.091,1255 2.119,1256 1.229,1257 2.116,1258 1.894,1259 1.872,1260 1.993,1261 2.001,1262 1.084,1263 1.997,1264 1.571,1265 1.506,1266 1.799,1267 1.794,1268 1.019,1269 1.802,1270 1.414,1271 1.368,1272 1.57,1273 1.56,1274 0.635,1275 1.572,1276 1.12,1277 1.079,1278 1.296,1279 1.387,1280 0.318,1281 1.363,1282 0.962,1283 0.912,1284 1.169,1285 1.138,1286 0.228,1287 1.151,1288 0.86,1289 0.804,1290 1.116,1291 1.068,1292 0.17,1293 1.079,1294 0.701,1295 0.643,1296 1.013,1297 0.969,1298 0.104,1299 0.993,1300 3.97,1302 5.263,1304 6.76,1306 8.356,1308 10.002,1311 5.965,1312 13.527,1315 0.868,1317 5.926,1326 26.677,1327 67.714,1328 139.601,1329 168.131,1330 196.131,1331 202.131,1332 202.131,1333 46.182,1334 6.933,1335 54.02,1336 54.02,1337 18,1338 12.195,1339 4.248,1340 3.392,1341 39.595,1342 98,1343 76,1344 0.198,1345 168.816,1346 289.49,1347 403.671,1348 9966,1349 5.1,1350 16.941,1351 0.706,1352 0.562,1353 16.571,1354 13.478,1355 11.648,1356 0.448,1357 0.301,1358 7.393,1359 10.951,1360 7.242,1361 5.979,1362 11.526,1363 7.836,1364 10.22,1365 0.292,1366 0.161,1367 10.101,1368 5.619,1369 8.452,1370 0.188,1371 0.084,1372 8.26,1373 3.784,1374 6.967,1375 0.124,1376 0.046,1377 6.736,1378 2.556,1379 5.376,1380 0.081,1381 0.026,1382 5.455,1383 1.709,1384 0.319,1385 75.868,1386 0.24,1387 23.877,1388 0.518,1389 122,1390 428.361,1391 148.727,1392 421.923,1393 553.54,1394 392,1395 141,1396 371.678,1397 161.601,1398 381.247,1399 555.08,1400 360,1401 4.401}
{0 CHEMBL532177,1 1.489,2 10.095,3 3.592,4 12.905,5 79.883,6 8.215,7 0.522,8 3.643,9 3.722,10 3.299,11 3.238,12 4.863,13 3.239,14 4.104,15 4.218,16 3.624,17 3.559,18 5.357,19 3.553,20 4.267,21 4.41,22 3.645,23 3.629,24 5.456,25 3.609,26 4.256,27 4.422,28 3.454,29 3.504,30 5.503,31 3.455,32 4.135,33 4.352,34 3.212,35 3.331,36 5.258,37 3.257,38 3.919,39 4.118,40 3.08,41 3.148,42 5.022,43 3.101,44 3.742,45 3.894,46 3.059,47 3.117,48 4.914,49 3.079,50 3.778,51 3.948,52 3.034,53 3.112,54 4.997,55 3.045,56 0.034,57 0.415,58 5.391,59 3.062,60 4.612,61 3.392,62 0.218,63 0.658,64 10.294,65 4.838,66 20.259,67 5.399,68 0.187,69 0.774,70 13.131,71 5.863,72 19.54,73 6.622,74 0.333,75 0.767,76 14.073,77 5.74,78 34.519,79 6.556,80 0.214,81 0.698,82 13.753,83 5.337,84 31.767,85 6.681,86 0.215,87 0.559,88 10.928,89 4.067,90 26.01,91 4.783,92 0.13,93 0.46,94 7.839,95 3.412,96 13.097,97 3.865,98 0.243,99 0.463,100 8.69,101 3.792,102 22.038,103 4.688,104 6,105 31,106 0.271,107 0.562,108 0.7,109 0.818,110 0.858,111 0.858,112 3.102,113 0.845,114 -4.78,115 -4.69,116 -4.4,120 50,125 1,136 2,143 8,144 2,145 2,159 2,174 10,176 2,177 8,185 11,189 8,197 8,200 1,201 9,209 4,214 8,222 4,227 6,235 5,240 2,247 7,251 2,252 2,260 9,271 6,274 547,275 14.455,276 14.455,277 14.455,278 14.455,279 14.455,280 12.575,281 12.676,282 8.606,283 14.784,284 11.299,285 11.299,286 11.299,287 11.299,288 11.299,289 8.352,290 14.143,291 4.028,292 11.747,293 3.598,294 1.999,295 1.243,296 0.596,297 0.375,298 0.375,299 3.788,305 1,306 1,307 1,308 458,309 2.449,313 174.301,317 91.978,320 1.442,321 18.951,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 45.5,333 212,334 4.414,335 3.685,336 6.485,337 4.028,338 3.057,339 4.01,340 1.398,341 10.101,342 2.971,343 4.064,344 2.987,345 5.496,346 3.635,347 2.655,348 3.674,349 0.938,350 7.378,351 2.605,352 3.754,353 2.857,354 5.297,355 3.265,356 2.322,357 3.132,358 0.86,359 6.782,360 2.18,361 3.493,362 2.613,363 5.08,364 3.063,365 2.113,366 2.796,368 6.187,369 2.005,370 3.352,371 2.338,372 5.063,373 2.98,374 2.003,375 2.536,377 5.787,378 1.924,379 2.878,380 1.575,381 3.789,382 2.399,383 1.418,384 2.035,386 3.108,387 1.386,388 2.579,389 1.314,390 3.584,391 2.047,392 1.042,393 1.525,395 2.568,396 1.042,397 2.5,398 1.172,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.376,407 1,408 3.217,409 1.715,410 0.768,411 1.094,413 1.679,414 0.719,415 1.659,416 0.798,417 2.757,418 1.32,419 0.429,420 0.514,422 0.699,423 0.379,424 1.331,425 0.675,426 2.652,427 0.812,428 -0.149,429 -0.194,431 -0.359,432 -0.139,433 0.912,434 -0.031,435 2.394,436 0.576,437 -0.394,438 -0.522,440 -0.85,441 -0.377,442 0.743,443 -0.285,444 2,445 0.339,446 -0.608,447 -0.756,449 -1.499,450 -0.568,451 0.624,452 -0.431,453 2,454 0.146,455 -0.871,456 -1.255,458 -2.054,459 -0.884,460 0.5,461 -0.879,462 1.925,464 -1,465 -1.358,467 -2.846,468 -1,469 9.9,470 0.471,471 0.414,472 0.02,473 30.75,474 1.464,475 17.5,476 0.833,477 13.25,478 0.631,479 11.638,480 0.554,481 21.3,482 0.626,483 20.775,484 0.989,485 6.489,486 0.309,487 3.77,488 0.18,489 0.084,491 0.303,496 0.748,497 1.111,498 0.671,499 1.018,500 0.619,501 0.867,502 0.946,503 0.967,504 0.817,505 0.934,506 0.641,507 0.872,508 1.111,509 1.101,510 0.934,511 1.049,512 0.835,513 0.974,514 1.149,515 1.12,516 1.15,517 1.092,518 1.15,519 1.113,520 0.965,521 1.021,522 0.98,523 0.967,524 1.259,525 0.97,526 1.256,527 0.851,528 1.028,529 0.797,530 1.197,531 0.84,532 1.116,533 0.97,534 1.052,535 0.979,536 0.941,537 0.991,538 0.61,539 0.873,540 0.922,541 0.974,542 1.242,543 1.014,544 4,545 0.087,546 2,547 1,548 1.209,549 0.389,550 0.222,551 0.28,552 0.111,553 0.092,554 4723,555 13778,556 2.102,557 38.2,559 13,567 1.626,568 2,569 3.297,570 -0.797,572 1,574 1,575 50.626,576 1.489,577 3.088,578 3.844,579 4.491,580 4.712,581 4.712,582 2.737,583 4.011,584 4.364,585 3.42,586 718.166,587 7.446,588 7744.19,589 1,590 1,591 1,592 1,593 172.974,594 1.268,595 4.338,596 0.174,597 0.01,598 0.065,599 0.032,600 0.05,601 0.02,602 0.013,603 0.016,604 0.007,605 0.007,606 0.395,607 0.67,608 1,609 0.741,610 96.11,611 -0.022,612 -0.128,613 0.055,614 -0.08,615 -0.078,616 -0.014,617 0.056,618 0.026,619 0.029,620 0.006,621 0.073,622 0.003,623 -0.108,624 -0.128,625 -0.026,626 -0.096,627 -0.017,628 -0.054,629 -0.034,630 -0.138,631 -0.177,632 -0.14,634 -0.178,635 -0.071,636 -0.035,637 0.054,638 0.01,639 -0.063,640 0.05,641 -0.188,642 0.165,644 0.164,645 -0.144,646 0.135,647 -0.164,648 0.022,649 -0.145,650 -0.027,651 -0.076,652 -0.066,653 0.294,654 0.066,655 0.032,656 0.014,657 0.035,658 -0.028,659 1.953,660 4.873,661 0.762,662 16.145,663 1.011,664 1.106,665 3.546,666 12.572,667 0.704,668 3.178,669 3.466,670 3.714,671 3.932,672 4.159,673 4.127,674 4.143,675 4.205,676 4.317,677 4.248,678 5.788,679 0.686,680 279.31,681 3.178,682 4.691,683 5.525,684 6.382,685 7.231,686 8.092,687 8.945,688 9.809,689 10.665,690 11.531,691 2.9,700 1,709 8,714 4,716 12,735 2,738 34,739 15,740 2,741 23,743 36,744 17,745 12,746 4,747 8,748 4,752 3,753 4,768 16,769 1,772 3,778 1,780 2,781 1,782 2,785 1,786 1,789 13,790 4,792 4,797 1,803 0.667,804 3,823 3,827 1,845 2,855 2,859 1,862 21,872 2,886 8.8,889 1,891 2,893 10.5,894 6.533,895 4.722,896 1.892,898 3.223,899 1.475,900 0.984,901 3.735,902 10.008,903 3.497,904 4.06,905 4.635,906 5.155,907 5.691,908 5.845,909 6.167,910 6.484,911 6.871,912 7.111,913 0.857,914 31,915 7.708,917 3.221,918 7.833,919 14.45,921 11.389,924 2.333,925 49,929 153.024,930 132.023,931 16.786,933 47.145,936 132.023,937 200.169,938 16.786,939 10.883,941 94.762,942 34.664,943 55.643,945 153.024,947 153.024,948 148.808,949 47.145,952 153.024,953 47.145,956 16.786,957 113.07,958 18.952,960 153.024,961 63.93,962 132.023,965 153.024,966 26.377,967 105.646,969 63.93,970 153.024,971 63.93,972 132.023,973 0.571,974 0.336,975 0.178,976 0.097,977 15,978 6,979 0.083,980 3,981 1,982 1.125,983 3.444,984 155.478,985 0.125,986 16,987 88.239,993 13.438,994 5.837,995 2.972,997 63.93,998 14.612,1003 2.78,1006 348.977,1007 32,1013 11.873,1015 3.509,1016 3.916,1017 0.001,1020 34.385,1021 37.618,1022 0.293,1023 0.607,1024 0.756,1025 0.883,1026 0.926,1027 0.926,1028 4.7,1029 1,1030 5.485,1031 2.568,1032 4.143,1033 4.745,1034 2.098,1035 6.244,1036 4.074,1037 5.899,1038 0.768,1039 7.009,1040 2.275,1041 3.611,1042 4.369,1044 7.034,1045 3.509,1046 7.188,1047 0.429,1048 8.631,1049 1.679,1050 5.687,1051 6.89,1052 2.423,1053 10.098,1054 5.554,1055 8.512,1056 -0.149,1057 10.309,1058 0.699,1059 5.969,1060 7.316,1062 11.719,1063 5.804,1064 9.865,1065 -0.394,1066 12.026,1067 -0.359,1068 7.491,1069 9.277,1070 2.895,1071 14.298,1072 7.304,1073 11.239,1074 -0.608,1075 13.768,1076 -0.85,1077 8.173,1078 10.107,1080 16.293,1081 7.957,1082 12.629,1083 -0.871,1084 15.531,1085 -1.499,1086 9.453,1087 11.799,1088 3.463,1089 18.704,1090 9.217,1091 3.057,1092 -1,1093 17.311,1094 -2.054,1095 10.343,1096 12.857,1098 20.874,1099 10.079,1100 2.655,1101 10.101,1102 19.103,1103 -2.846,1104 11.517,1105 14.406,1106 4.084,1107 23.223,1108 11.231,1109 2.322,1110 7.378,1111 20.907,1112 4.01,1113 12.515,1114 15.595,1116 25.471,1117 12.2,1118 2.113,1119 6.782,1120 22.721,1121 3.674,1122 13.644,1123 17.066,1124 4.731,1125 27.798,1126 13.306,1127 2.003,1128 6.187,1129 24.544,1130 3.132,1131 14.696,1132 18.332,1134 30.082,1135 14.33,1136 1.418,1137 5.787,1138 26.374,1139 2.796,1140 15.809,1141 19.761,1142 5.39,1143 32.4,1144 15.417,1145 1.042,1146 3.108,1147 28.21,1148 2.536,1149 16.889,1150 21.072,1152 34.699,1153 16.468,1154 4564,1155 7916,1156 15.603,1157 23.938,1158 34.312,1159 35.2,1160 34.447,1161 33.598,1162 33.615,1163 45.636,1164 6.392,1165 93.129,1166 32.419,1167 5.253,1168 5.685,1169 6.167,1170 5.143,1171 5.057,1172 7.01,1173 2.795,1174 16.991,1175 4.971,1176 8.186,1177 1.492,1178 1.53,1179 1.498,1180 1.461,1181 1.462,1182 1.984,1183 0.278,1184 4.049,1185 1.41,1186 3.992,1187 4.008,1188 3.953,1189 3.903,1190 7.431,1191 3.909,1192 3.901,1193 3.921,1194 3.846,1195 3.834,1196 4.954,1197 3.834,1198 3.533,1199 3.567,1200 3.468,1201 3.396,1202 4.854,1203 3.409,1204 3.284,1205 3.329,1206 3.189,1207 3.067,1208 4.549,1209 3.093,1210 3.132,1211 3.18,1212 2.982,1213 2.903,1214 4.376,1215 2.907,1216 2.908,1217 2.947,1218 2.789,1219 2.75,1220 3.956,1221 2.749,1222 2.854,1223 2.925,1224 2.687,1225 2.735,1226 3.791,1227 2.715,1228 2.655,1229 2.706,1230 2.534,1231 2.539,1232 3.674,1233 2.53,1234 0.192,1235 0.16,1236 0.282,1237 0.175,1238 0.133,1239 4.414,1240 0.174,1241 3.685,1242 0.061,1243 6.485,1244 0.439,1245 4.028,1246 0.129,1247 3.057,1248 4.01,1249 1.398,1250 10.101,1251 2.971,1252 1.935,1253 1.917,1254 2.029,1255 2.043,1256 1.11,1257 2.034,1258 1.891,1259 1.872,1260 1.991,1261 1.98,1262 1.073,1263 1.984,1264 1.487,1265 1.454,1266 1.64,1267 1.656,1268 0.657,1269 1.65,1270 1.207,1271 1.16,1272 1.54,1273 1.501,1274 0.555,1275 1.511,1276 1.094,1277 1.037,1278 1.257,1279 1.307,1280 0.261,1281 1.299,1282 0.886,1283 0.837,1284 1.181,1285 1.079,1286 0.218,1287 1.107,1288 0.882,1289 0.821,1290 1.133,1291 1.062,1292 0.176,1293 1.094,1294 0.653,1295 0.606,1296 0.878,1297 0.82,1299 0.838,1300 3.85,1302 5.142,1304 6.642,1306 8.237,1308 9.88,1310 1.624,1318 10.686,1326 23.327,1327 50.626,1328 105,1329 130.709,1330 152.709,1331 160.219,1332 160.219,1333 27.676,1334 6.784,1335 52.33,1336 52.33,1337 18,1338 12.079,1339 4,1340 3.322,1341 32.428,1342 73,1343 78,1344 0.218,1345 144.097,1346 257.39,1347 343.355,1348 7618,1350 14.656,1351 0.698,1352 0.545,1353 14.656,1354 11.445,1355 10.258,1356 0.446,1357 0.282,1358 6.383,1359 9.854,1360 6.223,1361 5.196,1362 10.258,1363 6.481,1364 8.895,1365 0.287,1366 0.144,1367 8.895,1368 4.46,1369 7.567,1370 0.189,1371 0.077,1372 7.567,1373 3.078,1374 6.139,1375 0.123,1376 0.04,1377 6.139,1378 1.982,1379 4.979,1380 0.079,1381 0.021,1382 4.979,1383 1.307,1384 0.346,1385 64.468,1386 0.253,1387 21.099,1388 0.585,1389 108,1390 358.852,1391 119.465,1392 340.866,1393 465.65,1394 320,1395 125,1396 342.271,1397 135.968,1398 345.439,1399 502.46,1400 324,1401 4.68}
{0 CHEMBL579318,1 1.578,2 10,3 1.99,4 3.96,5 94.316,6 8.659,7 0.586,8 3.82,9 3.901,10 3.512,11 3.433,12 5.07,13 3.441,14 4.315,15 4.431,16 3.9,17 3.816,18 5.57,19 3.82,20 4.538,21 4.661,22 4.029,23 3.917,24 5.872,25 3.926,26 4.614,27 4.752,28 4.044,29 3.847,30 6.084,31 3.874,32 4.513,33 4.647,34 3.881,35 3.718,36 6.107,37 3.741,38 4.464,39 4.613,40 3.678,41 3.657,42 5.916,43 3.637,44 4.278,45 4.442,46 3.531,47 3.573,48 5.524,49 3.533,50 4.293,51 4.475,52 3.418,53 3.513,54 5.514,55 3.45,56 0.083,57 0.526,58 5.501,59 3.421,60 9.252,61 3.593,62 0.224,63 0.861,64 10.973,65 5.694,66 25.621,67 6.21,68 0.402,69 1.025,70 15.372,71 7.352,72 48.92,73 7.783,74 0.627,75 1.114,76 18.136,77 7.538,78 74.483,79 7.844,80 0.676,81 0.98,82 16.941,83 6.684,84 114.519,85 6.447,86 0.688,87 0.912,88 17.248,89 6.755,90 114.985,91 6.604,92 0.305,93 0.792,94 13.371,95 5.929,96 45.986,97 6.585,98 0.374,99 0.814,100 14.275,101 5.948,102 44.174,103 6.733,104 17,105 42,106 0.274,107 0.628,108 0.783,109 0.859,110 0.867,111 0.885,112 3.305,113 0.834,114 -2.43,115 -2.46,116 -2.41,120 50,121 1,126 1,143 6,144 5,146 2,153 2,158 2,159 1,174 9,177 9,180 1,182 2,185 9,188 1,189 9,194 2,197 7,200 2,201 9,204 2,206 2,209 5,213 2,214 8,217 1,219 1,222 7,226 2,227 6,230 1,232 2,235 6,240 5,245 2,247 5,251 1,252 5,257 1,260 4,263 1,264 3,271 5,274 984,275 17.604,276 17.604,277 17.604,278 17.604,279 17.604,280 15.277,281 12.752,282 10.271,283 17.652,284 14.28,285 14.28,286 14.28,287 14.28,288 14.28,289 10.595,290 12.678,291 4.849,292 14.293,293 3.744,294 1.697,295 0.807,296 0.369,297 0.319,298 0.219,299 3.999,305 1,306 1,307 1,308 571,309 3.082,312 44.269,313 189.286,316 78.914,317 93.466,320 1.462,321 40.855,323 1,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 57,333 260,334 4.778,335 3.843,336 7.194,337 4.445,338 3.433,339 4.501,340 1.081,341 12.616,342 3.473,343 4.278,344 3.557,345 6.553,346 3.921,347 2.913,348 3.893,349 0.473,350 10.208,351 2.934,352 3.902,353 3.367,354 5.944,355 3.514,356 2.529,357 3.446,359 8.02,360 2.496,361 3.762,362 2.792,363 5.722,364 3.429,365 2.394,366 3.087,368 7.241,369 2.468,370 3.575,371 2.696,372 5.344,373 3.203,374 2.186,375 2.851,377 6.92,378 2.214,379 3.253,380 2.321,381 4.879,382 2.873,383 1.868,384 2.456,386 5.175,387 1.871,388 2.916,389 1.826,390 4.364,391 2.456,392 1.492,393 2.084,395 3.518,396 1.436,397 2.89,398 1.646,399 3.903,400 2.434,401 1.431,402 2.052,404 3.147,405 1.435,406 2.631,407 1.35,408 3.691,409 2.179,410 1.181,411 1.668,413 3.066,414 1.177,415 2.5,416 1.328,417 3.566,418 1.956,419 1,420 1.5,422 2.136,423 0.954,424 2.308,425 1.259,426 3.465,427 1.82,428 0.814,429 1.134,431 2.073,432 0.813,433 2.261,434 1.056,435 3.247,436 1.644,437 0.556,438 0.895,440 1.409,441 0.599,442 1.753,443 1,444 3.007,445 1.405,446 0.398,447 0.514,449 0.93,450 0.397,451 0.927,452 0.212,453 2.646,454 0.539,455 -0.468,456 -0.553,458 -1.207,459 -0.465,460 0.816,461 -0.077,462 2.375,463 0.45,464 -0.586,465 -0.786,467 -1.354,468 -0.592,469 12.133,470 0.467,471 0.683,472 0.026,473 37.25,474 1.433,475 20.5,476 0.788,477 16.75,478 0.644,479 17.94,480 0.69,481 26.267,482 0.657,483 29.172,484 1.122,485 7.662,486 0.295,487 4.913,488 0.189,489 0.124,491 0.412,496 0.648,497 1.062,498 0.633,499 0.926,500 0.532,501 0.804,502 0.73,503 0.957,504 0.705,505 0.914,506 0.607,507 0.819,508 0.994,509 1.097,510 0.83,511 1.039,512 0.916,513 0.928,514 1.143,515 1.056,516 0.919,517 1.059,518 1.328,519 0.955,520 1.417,521 0.992,522 1.111,523 0.979,524 1.402,525 0.965,526 1.503,527 0.885,528 1.304,529 0.922,530 1.536,531 1.043,532 1.044,533 1.094,534 1.08,535 1.096,536 1.052,537 1.103,538 1.04,539 1.111,540 1.219,541 1.132,542 0.991,543 1.206,544 4,545 0.066,546 3.111,547 2.632,548 2.335,549 1.098,550 0.571,551 0.357,552 0.243,553 0.167,554 7644,555 23305,556 2.101,557 35,559 8,561 2,562 1,563 3,567 1.694,568 1.95,569 3.256,570 -0.332,571 1,572 1,574 1,575 63.136,576 1.578,577 3.625,578 4.515,579 4.953,580 5.003,581 5.103,582 2.73,583 4.393,584 4.669,585 3.407,586 1107.31,587 8.108,588 13263.9,589 1,590 1,592 1,593 212.877,594 1.46,595 4.624,596 0.138,597 0.005,598 0.074,599 0.057,600 0.053,601 0.03,602 0.019,603 0.013,604 0.011,605 0.009,606 0.408,607 0.5,608 1,609 0.596,610 125.15,611 -0.045,612 -0.042,613 0.032,615 -0.047,616 0.03,617 0.001,618 0.064,619 0.077,620 0.025,621 -0.01,622 0.065,623 -0.008,624 -0.134,625 0.051,626 -0.078,627 -0.027,628 -0.016,629 0.086,630 -0.055,631 0.055,632 -0.118,633 -0.027,634 -0.053,635 -0.039,637 -0.113,638 -0.036,639 0.098,640 -0.076,641 -0.146,642 0.063,643 -0.271,644 0.053,645 -0.101,646 -0.105,647 -0.132,648 -0.147,649 -0.116,650 -0.109,651 -0.112,652 -0.111,653 -0.103,654 -0.144,655 -0.208,656 -0.15,657 -0.115,658 -0.198,659 2.128,660 5.864,661 0.731,662 21.911,663 1.02,664 1.108,665 1.195,666 1.428,667 0.71,668 3.401,669 3.761,670 4.111,671 4.443,672 4.7,673 4.787,674 4.934,675 5.075,676 5.112,677 5.069,678 5.788,679 0.702,680 346.36,681 3.401,682 4.963,683 5.849,684 6.76,685 7.67,686 8.591,687 9.512,688 10.44,689 11.369,690 12.301,691 5,698 1,701 1,709 8,710 1,712 1,714 7,716 17,721 2,723 1,738 40,739 20,740 1,741 29,743 43,744 20,745 15,746 2,747 4,748 3,752 4,753 7,759 1,768 18,769 2,772 3,778 3,782 3,785 1,786 1,788 1,789 14,790 6,791 1,792 6,797 2,803 0.5,804 4,816 1,822 1,823 3,826 1,827 1,855 2,859 1,862 26,869 1,871 1,886 10,889 3,891 1,893 13.333,894 7.783,895 5.667,896 2.356,898 3.258,899 1.426,900 1.018,901 3.925,902 10.899,903 3.726,904 4.347,905 4.996,906 5.604,907 6.107,908 6.347,909 6.708,910 7.094,911 7.422,912 7.635,913 0.857,914 46,915 9.708,917 4.38,918 8.045,919 17.805,921 14.8,924 2.545,925 66.167,929 153.024,930 127.68,931 34.796,933 84.942,936 127.68,937 237.966,938 34.796,939 8.825,940 20.116,941 56.857,942 130.734,943 43.53,944 10.898,945 129.482,947 153.024,948 162.477,949 84.942,952 153.024,953 84.942,956 47.036,957 98.655,958 16.786,960 153.024,961 119.738,962 127.68,965 153.024,966 43.903,967 83.778,968 18.011,969 101.728,970 153.024,971 119.738,972 127.68,973 0.588,974 0.363,975 0.208,976 0.116,977 22,978 10,979 0.07,980 3,981 2,982 1.211,983 3.701,984 232.071,985 0.211,986 19,987 120.211,993 16.283,994 6.268,995 2.657,997 119.738,998 13.418,999 3.992,1001 5.506,1003 1.717,1005 18.011,1006 400.443,1007 40.5,1013 38.18,1017 -1.222,1020 40.814,1021 44.325,1022 0.297,1023 0.681,1024 0.848,1025 0.931,1026 0.94,1027 0.959,1028 4.972,1029 1.431,1030 5.855,1031 3.518,1032 4.443,1033 5.034,1034 1.331,1035 6.744,1036 4.45,1037 6.201,1038 1.181,1039 7.462,1040 3.147,1041 4.111,1042 4.879,1044 7.811,1045 4.157,1046 7.529,1047 1,1048 9.177,1049 3.066,1050 6.098,1051 7.258,1052 1.343,1053 11.002,1054 6.121,1055 8.897,1056 0.814,1057 10.955,1058 2.136,1059 6.621,1060 7.959,1062 12.931,1063 6.685,1064 10.301,1065 0.556,1066 12.775,1067 2.073,1068 8.091,1069 9.8,1070 1.438,1071 15.664,1072 8.139,1073 11.732,1074 0.398,1075 14.624,1076 1.409,1077 9,1078 10.904,1080 17.941,1081 9.081,1082 13.185,1083 -0.468,1084 16.494,1085 0.93,1086 10.288,1087 12.531,1088 1.555,1089 20.53,1090 10.364,1091 3.433,1092 -0.586,1093 18.38,1094 -1.207,1095 11.371,1096 13.832,1098 22.951,1099 11.471,1100 2.913,1101 12.616,1102 20.279,1103 -1.354,1104 12.6,1105 15.372,1106 1.679,1107 25.495,1108 12.704,1109 2.529,1110 10.208,1111 22.188,1112 4.501,1113 13.759,1114 16.77,1116 27.977,1117 13.882,1118 2.394,1119 8.02,1120 24.107,1121 3.893,1122 14.975,1123 18.277,1124 1.807,1125 30.508,1126 15.106,1127 2.186,1128 7.241,1129 26.032,1130 3.446,1131 16.169,1132 19.722,1134 33.017,1135 16.315,1136 1.868,1137 6.92,1138 27.963,1139 3.087,1140 17.384,1141 21.218,1142 1.939,1143 35.545,1144 17.542,1145 1.492,1146 5.175,1147 29.9,1148 2.851,1149 18.595,1150 22.689,1152 38.066,1153 18.766,1154 7255,1155 12799,1156 19.304,1157 28.398,1158 45.304,1159 47.687,1160 46.447,1161 44.383,1162 44.387,1163 60.161,1164 3.107,1165 132.919,1166 44.534,1167 5.669,1168 5.843,1169 6.996,1170 5.482,1171 5.433,1172 7.501,1173 2.162,1174 20.616,1175 5.473,1176 12.216,1177 1.562,1178 1.644,1179 1.602,1180 1.53,1181 1.531,1182 2.075,1183 0.107,1184 4.583,1185 1.536,1186 4.102,1187 4.1,1188 4.085,1189 4.009,1190 7.439,1191 4.024,1192 3.884,1193 3.927,1194 3.82,1195 3.78,1196 7.426,1197 3.784,1198 3.788,1199 3.805,1200 3.739,1201 3.691,1202 7.419,1203 3.701,1204 3.4,1205 3.453,1206 3.331,1207 3.165,1208 4.964,1209 3.194,1210 3.237,1211 3.287,1212 3.133,1213 3.065,1214 4.894,1215 3.066,1216 3.149,1217 3.139,1218 3.107,1219 2.956,1220 4.664,1221 2.987,1222 2.971,1223 3.013,1224 2.844,1225 2.785,1226 4.082,1227 2.789,1228 2.778,1229 2.85,1230 2.62,1231 2.591,1232 3.796,1233 2.592,1234 0.165,1235 0.133,1236 0.248,1237 0.153,1238 0.118,1239 4.778,1240 0.155,1241 3.843,1242 0.037,1243 7.194,1244 0.435,1245 4.445,1246 0.12,1247 3.433,1248 4.501,1249 1.081,1250 12.616,1251 3.473,1252 1.97,1253 1.961,1254 2.04,1255 2.048,1256 1.165,1257 2.042,1258 1.854,1259 1.815,1260 1.978,1261 1.99,1262 1.083,1263 1.989,1264 1.632,1265 1.614,1266 1.767,1267 1.793,1268 0.885,1269 1.777,1270 1.436,1271 1.428,1272 1.579,1273 1.638,1274 0.643,1275 1.615,1276 1.263,1277 1.192,1278 1.491,1279 1.511,1280 0.595,1281 1.511,1282 1.028,1283 1.007,1284 1.215,1285 1.252,1286 0.256,1287 1.232,1288 0.929,1289 0.891,1290 1.141,1291 1.15,1292 0.191,1293 1.141,1294 0.734,1295 0.664,1296 1.024,1297 0.983,1298 0.059,1299 1.004,1300 4.078,1302 5.425,1303 2.398,1304 6.984,1305 4.844,1306 8.645,1307 7.066,1308 10.366,1310 1.572,1315 0.255,1317 2.749,1326 28.063,1327 63.136,1328 145.003,1329 180.612,1330 198.122,1331 200.122,1332 204.122,1333 59.259,1334 7.642,1335 89.27,1336 89.27,1337 23,1338 12.803,1339 4.392,1340 3.644,1341 37.96,1342 88,1343 102,1344 0.212,1345 170.416,1346 300.54,1347 407.575,1348 21339,1350 18.259,1351 0.702,1352 0.535,1353 18.259,1354 13.906,1355 12.575,1356 0.434,1357 0.278,1358 7.959,1359 12.118,1360 7.771,1361 6.416,1362 12.575,1363 8.065,1364 11.421,1365 0.272,1366 0.143,1367 11.421,1368 5.985,1369 10.16,1370 0.169,1371 0.072,1372 10.16,1373 4.337,1374 8.918,1375 0.106,1376 0.037,1377 8.918,1378 3.104,1379 7.432,1380 0.068,1381 0.019,1382 7.432,1383 2.087,1384 0.324,1385 78.955,1386 0.228,1387 24.744,1388 0.605,1389 142,1390 474.92,1391 155.738,1392 453.266,1393 612.83,1394 422,1395 173,1396 444.985,1397 187.737,1398 448.811,1399 665.37,1400 423,1401 6.517}
{0 CHEMBL580955,1 1.384,2 9.259,3 4.806,4 23.095,5 107.292,6 6.84,7 0.586,8 4.03,9 4.152,10 3.513,11 3.61,12 5.11,13 3.56,14 4.554,15 4.735,16 3.858,17 3.997,18 5.56,19 3.921,20 4.843,21 5.053,22 3.988,23 4.158,24 5.866,25 4.067,26 4.939,27 5.164,28 3.979,29 4.166,30 6.008,31 4.069,32 4.945,33 5.179,34 3.931,35 4.146,36 6.01,37 4.043,38 4.869,39 5.089,40 3.926,41 4.101,42 6.006,43 4.004,44 4.842,45 5.059,46 3.853,47 4.088,48 5.894,49 3.981,50 4.867,51 5.117,52 3.725,53 4.078,54 5.797,55 3.935,56 0.052,57 0.713,58 11.622,59 5.175,60 10.678,61 6.964,62 0.143,63 1.161,64 20.49,65 8.61,66 19.316,67 11.98,68 0.242,69 1.48,70 28.369,71 11.062,72 42.819,73 15.462,74 0.331,75 1.588,76 31.972,77 11.614,78 55.85,79 16.273,80 0.347,81 1.564,82 32.495,83 11.804,84 60.656,85 16.33,86 0.348,87 1.434,88 29.842,89 11.381,90 74.006,91 15.604,92 0.328,93 1.434,94 28.954,95 10.757,96 55.448,97 14.89,98 0.239,99 1.467,100 29.643,101 11.284,102 42.406,103 16.064,104 33,105 40,106 0.23,107 0.574,108 0.726,109 0.815,110 0.845,111 0.845,112 3.341,113 0.979,114 -5.15,115 -5.05,116 -4.73,120 43.4,121 3,122 2,123 1,128 1,143 8,144 4,145 1,146 1,147 1,159 1,174 16,177 3,180 1,182 4,185 17,189 4,192 1,194 6,197 15,201 4,205 1,206 7,209 14,214 4,217 1,219 5,222 14,227 5,230 1,232 5,235 15,239 1,240 5,245 5,247 17,252 4,257 2,260 15,264 5,269 2,271 13,274 1268,275 18.129,276 18.129,277 18.129,278 18.129,279 18.129,280 15.985,281 16.36,282 10.763,283 18.237,284 14.243,285 14.243,286 14.243,287 14.243,288 14.243,289 10.993,290 15.451,291 4.977,292 14.428,293 4.344,294 2.276,295 1.361,296 0.828,297 0.647,298 0.647,299 4.02,306 1,307 1,308 523,309 3.873,313 241.97,317 128.582,320 1.344,321 25.161,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 57,333 250,334 4.594,335 3.663,336 6.818,337 4.192,338 3.214,339 4.503,340 1.914,341 11.217,342 3.142,343 4.205,344 3.404,345 6.32,346 3.856,347 2.869,348 3.758,349 1.157,350 9.535,351 2.831,352 3.94,353 3.029,354 5.916,355 3.673,356 2.68,357 3.351,359 8.159,360 2.657,361 3.614,362 2.906,363 5.49,364 3.294,365 2.277,366 2.905,368 6.796,369 2.304,370 3.523,371 2.307,372 5.036,373 3.145,374 2.157,375 2.764,377 6.046,378 2.129,379 3.207,380 1.896,381 4.772,382 2.729,383 1.756,384 2.532,386 4.922,387 1.704,388 2.923,389 1.559,390 4.118,391 2.461,392 1.485,393 2.113,395 3.428,396 1.447,397 2.543,398 1.354,399 3.723,400 2.284,401 1.292,402 1.548,404 2.969,405 1.281,406 2.5,407 1.343,408 3.61,409 2.087,410 1.094,411 1.5,413 2.482,414 1.084,415 2.332,416 1.111,417 3.447,418 2,419 1,420 1.257,422 2.275,423 1,424 2.221,425 1,426 3.414,427 1.826,428 0.882,429 1.191,431 2.062,432 0.828,433 2.054,434 0.995,435 3.064,436 1.791,437 0.79,438 0.944,440 1.508,441 0.787,442 1.292,443 0.503,444 2.741,445 0.924,446 -0.021,447 -0.025,449 -0.05,450 -0.019,451 0.976,452 0.182,453 2.341,454 0.605,455 -0.377,456 -0.429,458 -0.752,459 -0.368,460 0.912,461 -0.1,462 2.296,463 0.483,464 -0.493,465 -0.679,467 -1.114,468 -0.481,469 12.967,470 0.48,471 0.665,472 0.025,473 34,474 1.259,475 18,476 0.667,477 16,478 0.593,479 24.014,480 0.889,481 29.033,482 0.548,483 26.023,484 0.964,485 6.378,486 0.236,487 6.629,488 0.246,489 0.167,491 0.347,496 0.807,497 1.146,498 0.894,499 1.033,500 0.759,501 0.981,502 0.582,503 1.117,504 0.85,505 1.032,506 0.559,507 0.978,508 0.908,509 1.114,510 0.92,511 1.026,512 0.939,513 0.982,514 1.224,515 1.07,516 1.019,517 1.013,518 1.164,519 0.991,520 1.38,521 0.919,522 1.025,523 0.937,524 1.329,525 0.938,526 1.166,527 1.055,528 0.939,529 1.01,530 1.234,531 0.964,532 1.32,533 1.07,534 1.109,535 1.032,536 1.354,537 1.047,538 0.91,539 0.979,540 1.062,541 1.034,542 0.782,543 1.05,544 5,545 0.136,546 3.556,547 2,548 1.729,549 1.132,550 0.669,551 0.563,552 0.366,553 0.231,554 7693,555 17498,556 2.014,557 49.1,558 12,559 9,561 1,562 2,563 2,567 1.709,568 1.862,569 3.189,570 0.157,575 73.326,576 1.384,577 3.452,578 4.367,579 4.9,580 5.081,581 5.081,582 2.652,583 4.533,584 4.722,585 3.375,586 1184.72,587 8.245,588 15022.5,590 1,593 303.58,594 1.487,595 4.672,596 0.172,597 0.01,598 0.089,599 0.045,600 0.041,601 0.028,602 0.017,603 0.015,604 0.011,605 0.01,606 0.44,607 0.17,608 1,609 1.433,610 131.809,611 -0.055,612 0.004,613 0.021,614 0.047,615 -0.084,616 0.042,617 0.112,618 -0.029,619 0.081,620 0.007,621 0.056,622 0.034,623 0.051,624 -0.075,625 0.048,626 -0.025,627 -0.004,628 0.004,629 -0.02,630 -0.041,631 -0.019,632 -0.045,633 -0.018,634 -0.033,635 -0.087,636 0.086,637 -0.015,638 0.027,639 -0.053,640 0.019,641 0.098,642 -0.078,643 0.061,644 -0.017,645 0.14,646 0.012,647 -0.082,648 -0.051,649 -0.112,650 -0.053,651 -0.09,652 -0.083,653 -0.073,654 0.027,655 -0.094,656 -0.057,657 -0.031,658 -0.069,659 1.753,660 5.342,661 0.593,662 24.329,663 0.99,664 1.121,665 3.925,666 15.404,667 0.661,668 3.401,669 3.714,670 3.989,671 4.234,672 4.477,673 4.575,674 4.718,675 4.82,676 4.883,677 4.745,678 5.861,679 0.619,680 362.51,681 3.401,682 4.934,683 5.784,684 6.661,685 7.533,686 8.419,687 9.302,688 10.193,689 11.081,690 11.975,691 3.8,698 1,701 1,708 2,709 9,710 1,714 4,716 17,734 1,738 53,739 18,740 2,741 29,743 55,744 23,745 15,746 6,747 6,752 3,753 4,759 3,766 3,768 16,769 7,770 1,772 1,778 1,782 1,789 26,790 4,791 2,792 4,797 2,803 0.667,804 2,816 1,823 3,827 1,838 1,855 2,859 3,862 27,868 1,869 2,871 1,874 2,886 3.8,888 1,889 1,893 14.5,894 10.233,895 6.083,896 3.472,898 3.196,899 1.448,900 0.943,901 6.002,902 10.333,903 3.676,904 4.277,905 4.873,906 5.459,907 6.056,908 6.349,909 6.773,910 7.186,911 7.584,912 7.678,913 1,914 44,915 10.033,917 4.229,918 7.716,919 19.269,921 15.75,924 2.216,925 59.833,927 1,928 1,929 282.506,930 135.381,931 34.796,933 67.828,936 135.381,937 350.335,938 34.796,939 26.476,940 23.08,941 75.81,942 101.09,943 23.321,945 270.735,947 282.506,948 170.177,949 67.828,952 282.506,953 67.828,956 60.747,957 92.644,958 16.786,960 282.506,961 102.625,962 135.381,965 282.506,966 24.048,967 111.333,968 18.011,969 84.614,970 282.506,971 102.625,972 135.381,973 0.575,974 0.339,975 0.181,976 0.098,977 18,978 9,979 0.109,980 6,981 1,982 1.125,983 3.72,984 230.836,985 0.125,986 16,987 122.382,993 19.223,994 8.43,995 4.241,996 1.413,997 102.625,998 17.41,999 4.308,1003 2.946,1005 60.694,1006 520.512,1007 38.5,1013 12.342,1017 -0.032,1020 52.461,1021 59.398,1022 0.242,1023 0.603,1024 0.762,1025 0.855,1026 0.887,1027 0.887,1028 4.9,1029 1.292,1030 5.771,1031 3.428,1032 4.394,1033 4.963,1034 2.204,1035 6.594,1036 4.367,1037 6.108,1038 1.094,1039 7.343,1040 2.969,1041 4.007,1042 4.783,1043 1.796,1044 7.554,1045 3.972,1046 7.416,1047 1,1048 9.019,1049 2.482,1050 5.994,1051 7.187,1052 3.026,1053 10.665,1054 5.938,1055 8.763,1056 0.882,1057 10.756,1058 2.275,1059 6.431,1060 7.842,1061 3.131,1062 12.456,1063 6.358,1064 10.142,1065 0.79,1066 12.533,1067 2.062,1068 7.895,1069 9.73,1070 4.101,1071 15.097,1072 7.804,1073 11.546,1074 -0.021,1075 14.337,1076 1.508,1077 8.708,1078 10.794,1079 4.464,1080 17.227,1081 8.593,1082 12.968,1083 -0.377,1084 16.16,1085 -0.05,1086 9.966,1087 12.462,1088 5.294,1089 19.711,1090 9.833,1091 3.214,1092 -0.493,1093 17.997,1094 -0.752,1095 10.953,1096 13.739,1097 5.792,1098 21.988,1099 10.795,1100 2.869,1101 11.217,1102 19.845,1103 -1.114,1104 12.132,1105 15.307,1106 6.541,1107 24.417,1108 11.953,1109 2.68,1110 9.535,1111 21.703,1112 4.503,1113 13.202,1114 16.694,1115 7.11,1116 26.762,1117 12.997,1118 2.277,1119 8.159,1120 23.568,1121 3.758,1122 14.353,1123 18.219,1124 7.814,1125 29.173,1126 14.126,1127 2.157,1128 6.796,1129 25.439,1130 3.351,1131 15.463,1132 19.662,1133 8.42,1134 31.55,1135 15.21,1136 1.756,1137 6.046,1138 27.315,1139 2.905,1140 16.607,1141 21.169,1142 9.099,1143 33.957,1144 16.331,1145 1.485,1146 4.922,1147 29.196,1148 2.764,1149 17.737,1150 22.641,1151 9.725,1152 36.351,1153 17.436,1154 7669,1155 11716,1156 18.898,1157 35.057,1158 43.449,1159 44.061,1160 45.25,1161 43.007,1162 42.989,1163 56.73,1164 6.14,1165 122.797,1166 42.388,1167 5.488,1168 5.663,1169 6.59,1170 5.23,1171 5.214,1172 7.503,1173 3.316,1174 18.767,1175 5.142,1176 14.971,1177 1.498,1178 1.519,1179 1.56,1180 1.483,1181 1.482,1182 1.956,1183 0.212,1184 4.234,1185 1.462,1186 4.097,1187 4.121,1188 4.059,1189 4.03,1190 7.429,1191 4.033,1192 3.935,1193 3.966,1194 3.872,1195 3.877,1196 6.469,1197 3.872,1198 3.71,1199 3.764,1200 3.604,1201 3.55,1202 4.938,1203 3.552,1204 3.567,1205 3.628,1206 3.438,1207 3.456,1208 4.734,1209 3.443,1210 3.425,1211 3.481,1212 3.286,1213 3.313,1214 4.343,1215 3.3,1216 3.259,1217 3.328,1218 3.094,1219 3.034,1220 4.142,1221 3.04,1222 3.05,1223 3.092,1224 2.96,1225 2.872,1226 4.101,1227 2.886,1228 2.922,1229 3.009,1230 2.779,1231 2.757,1232 3.924,1233 2.755,1234 0.158,1235 0.126,1236 0.235,1237 0.145,1238 0.111,1239 4.594,1240 0.155,1241 3.663,1242 0.066,1243 6.818,1244 0.387,1245 4.192,1246 0.108,1247 3.214,1248 4.503,1249 1.914,1250 11.217,1251 3.142,1252 2.052,1253 2.032,1254 2.128,1255 2.136,1256 1.314,1257 2.134,1258 1.935,1259 1.908,1260 2.055,1261 2.019,1262 1.216,1263 2.033,1264 1.686,1265 1.631,1266 1.936,1267 1.88,1268 1.173,1269 1.897,1270 1.579,1271 1.523,1272 1.82,1273 1.738,1274 0.993,1275 1.77,1276 1.435,1277 1.385,1278 1.629,1279 1.587,1280 0.719,1281 1.607,1282 1.209,1283 1.141,1284 1.473,1285 1.471,1286 0.551,1287 1.473,1288 1.004,1289 0.955,1290 1.417,1291 1.239,1292 0.469,1293 1.308,1294 0.934,1295 0.844,1296 1.274,1297 1.221,1298 0.428,1299 1.231,1300 4.078,1302 5.389,1304 6.909,1306 8.526,1308 10.195,1310 6.274,1314 10.853,1315 1.225,1317 3.078,1320 0.016,1326 32.794,1327 73.326,1328 182.937,1329 231.441,1330 259.705,1331 269.315,1332 269.315,1333 58.389,1334 7.136,1335 62.22,1336 62.22,1337 18,1338 12.503,1339 4.248,1340 3.392,1341 46.54,1342 88,1343 101,1344 0.246,1345 204.449,1346 352.5,1347 490.615,1348 10403,1350 19.389,1351 0.718,1352 0.595,1353 19.389,1354 16.068,1355 13.007,1356 0.449,1357 0.326,1358 9.404,1359 12.744,1360 9.063,1361 7.638,1362 13.007,1363 9.467,1364 11.521,1365 0.288,1366 0.179,1367 11.521,1368 7.15,1369 9.56,1370 0.18,1371 0.091,1372 9.56,1373 4.809,1374 7.91,1375 0.116,1376 0.048,1377 7.91,1378 3.252,1379 6.229,1380 0.072,1381 0.025,1382 6.229,1383 2.159,1384 0.375,1385 80.061,1386 0.23,1387 25.496,1388 0.713,1389 138,1390 349.863,1391 146.093,1392 347.25,1393 476.64,1394 324,1395 162,1396 351.103,1397 170.205,1398 360.108,1399 525.97,1400 340,1401 5.789}
{0 CHEMBL587389,1 1.596,2 9.071,3 3.354,4 11.247,5 107.18,6 8.254,7 0.71,8 3.933,9 4.04,10 3.584,11 3.5,12 5.205,13 3.506,14 4.389,15 4.531,16 3.957,17 3.871,18 5.565,19 3.87,20 4.586,21 4.735,22 4.123,23 4.016,24 5.849,25 4.019,26 4.706,27 4.861,28 4.172,29 4.099,30 5.997,31 4.092,32 4.802,33 4.972,34 4.196,35 4.156,36 6.083,37 4.14,38 4.847,39 5.029,40 4.164,41 4.13,42 6.23,43 4.091,44 4.823,45 5.048,46 3.855,47 3.982,48 6.05,49 3.898,50 4.652,51 4.911,52 3.505,53 3.776,54 5.71,55 3.648,56 0.097,57 0.678,58 7.448,59 3.65,60 14.888,61 4.167,62 0.193,63 1.044,64 13.569,65 6.061,66 20.808,67 7.266,68 0.309,69 1.285,70 16.629,71 6.78,72 32.484,73 8.179,74 0.322,75 1.439,76 19.134,77 7.772,78 44.889,79 9.207,80 0.365,81 1.562,82 22.064,83 8.422,84 57.161,85 10.057,86 0.498,87 1.608,88 23.323,89 9.101,90 77.019,91 11.626,92 0.661,93 1.474,94 26.5,95 8.997,96 89.808,97 11.629,98 0.356,99 1.182,100 24.523,101 8.896,102 50.119,103 12.078,104 30,105 45,106 0.269,107 0.666,108 0.755,109 0.83,110 0.853,111 0.853,112 3.376,113 0.829,114 -4.19,115 -4.13,116 -3.9,120 46.7,121 1,125 1,143 8,144 4,145 3,147 1,148 1,159 1,162 1,164 1,165 1,166 1,167 1,174 10,176 1,177 9,179 1,180 1,182 2,185 11,187 1,188 1,189 11,192 1,194 4,197 7,199 1,200 1,201 15,203 2,204 2,206 5,209 7,211 2,214 9,216 1,217 1,219 1,222 9,224 1,226 2,227 6,230 4,231 1,232 5,234 1,235 10,237 4,239 4,240 5,242 1,243 1,245 3,247 9,249 3,252 2,257 3,260 6,262 1,264 4,269 2,271 5,274 1162,275 19.137,276 19.137,277 19.137,278 19.137,279 19.137,280 16.369,281 18.602,282 11.027,283 19.526,284 15.143,285 15.143,286 15.143,287 15.143,288 15.143,289 10.884,290 16.606,291 4.995,292 15.717,293 3.896,294 1.545,295 1.011,296 0.567,297 0.434,298 0.434,299 4.069,305 1,306 1,307 1,308 546,309 2.739,312 55.38,313 221.708,316 102.846,320 1.367,321 30.709,323 1,324 1,325 1,326 1,327 0.6,329 1,330 1,331 0.8,332 60.5,333 254,334 4.846,335 4.088,336 7.203,337 4.402,338 3.427,339 4.827,340 2.035,341 12.718,342 3.347,343 4.396,344 3.446,345 6.626,346 3.979,347 3.02,348 4.08,349 0.86,350 10.548,351 2.892,352 4.15,353 3.197,354 6.236,355 3.709,356 2.75,357 3.723,359 9.101,360 2.634,361 3.883,362 2.875,363 5.921,364 3.432,365 2.457,366 3.4,368 8.012,369 2.396,370 3.553,371 2.567,372 5.477,373 3.123,374 2.171,375 2.963,377 6.772,378 2.059,379 3.352,380 2.351,381 5.064,382 2.797,383 1.839,384 2.497,386 5.513,387 1.757,388 3.17,389 1.979,390 4.652,391 2.551,392 1.577,393 2.268,395 4.387,396 1.532,397 2.953,398 1.752,399 4.373,400 2.404,401 1.448,402 2.038,404 3.8,405 1.389,406 2.871,407 1.607,408 3.91,409 2.385,410 1.414,411 1.942,413 3.177,414 1.359,415 2.778,416 1.512,417 3.594,418 2.025,419 1.052,420 1.597,422 2.587,423 1.021,424 2.5,425 1.14,426 3.486,427 2,428 1,429 1.5,431 2.136,432 1,433 2.385,434 1.033,435 3.247,436 1.674,437 0.754,438 1.084,440 1.553,441 0.686,442 1.763,443 1,444 3.028,445 1.407,446 0.504,447 0.638,449 0.875,450 0.453,451 1.336,452 0.589,453 2.857,454 0.856,455 -0.071,456 -0.087,458 -0.146,459 -0.064,460 1.215,461 0.281,462 2.465,463 0.73,464 -0.202,465 -0.289,467 -0.39,468 -0.188,469 13.167,470 0.47,471 0.696,472 0.025,473 42.5,474 1.518,475 24.5,476 0.875,477 18,478 0.643,479 20.136,480 0.719,481 28.233,482 0.627,483 34.157,484 1.22,485 8.532,486 0.305,487 5.03,488 0.18,489 0.162,491 0.41,496 0.919,497 1.033,498 0.725,499 0.896,500 0.849,501 0.798,502 0.908,503 1.027,504 0.668,505 0.858,506 0.58,507 0.756,508 0.925,509 1.141,510 0.774,511 0.919,512 0.703,513 0.828,514 1.113,515 1.118,516 0.921,517 0.994,518 0.934,519 0.936,520 1.233,521 1.131,522 1.004,523 0.975,524 1.282,525 0.947,526 0.786,527 1.201,528 1.04,529 1.216,530 0.869,531 1.18,532 1.098,533 0.911,534 1.257,535 1.023,536 1.431,537 1.136,538 0.925,539 0.94,540 1.062,541 1.032,542 0.815,543 1.071,544 4.5,545 0.058,546 3.556,547 2.854,548 2.325,549 1.747,550 0.977,551 0.555,552 0.216,553 0.107,554 8076,555 23762,556 2.072,557 37.8,559 11,562 3,563 3,567 1.721,568 1.909,569 3.102,570 0.917,571 1,572 1,575 71.798,576 1.596,577 3.947,578 4.481,579 4.925,580 5.058,581 5.058,582 2.623,583 4.522,584 4.777,585 3.248,586 1227.62,587 8.367,588 15169.2,590 1,592 1,593 247.133,594 1.497,595 4.723,596 0.145,597 0.006,598 0.079,599 0.055,600 0.043,601 0.032,602 0.02,603 0.016,604 0.009,605 0.007,606 0.41,607 0.5,608 1,609 0.887,610 135.597,611 -0.068,612 0.051,613 0.021,614 0.052,615 -0.129,616 0.052,617 -0.001,618 0.004,619 0.168,620 0.111,621 -0.001,622 0.151,623 0.045,624 -0.071,625 0.077,626 0.013,627 0.058,628 0.049,629 -0.092,630 -0.058,631 -0.052,632 -0.061,633 0.023,634 -0.055,635 -0.193,636 -0.081,637 -0.103,638 -0.042,639 -0.14,640 -0.052,641 0.2,642 -0.168,643 -0.116,644 -0.279,645 0.23,646 -0.262,647 0.015,648 0.073,649 -0.224,650 -0.066,651 -0.178,652 -0.163,653 -0.053,654 -0.067,655 0.031,656 0.005,657 0.021,658 0.026,659 1.736,660 4.704,661 0.75,662 22.286,663 1.01,664 1.12,665 2.957,666 8.744,667 0.7,668 3.466,669 3.829,670 4.205,671 4.554,672 4.844,673 5.004,674 5.17,675 5.318,676 5.38,677 5.384,678 5.384,679 0.682,680 371.43,681 3.466,682 5.03,683 5.927,684 6.847,685 7.769,686 8.7,687 9.631,688 10.568,689 11.504,690 12.445,691 11.1,695 1,699 1,700 1,701 2,708 2,709 8,710 2,714 8,715 1,716 22,718 1,728 1,734 1,735 1,738 45,739 23,740 2,741 31,743 48,744 21,745 18,746 4,747 8,752 4,753 5,759 1,767 1,768 18,769 2,786 1,789 17,790 6,791 3,792 7,797 5,803 0.75,804 2,814 1,816 1,822 1,823 3,826 1,855 3,859 2,862 28,863 1,868 1,872 1,877 1,882 1,884 1,886 4.4,888 1,891 1,893 14.667,894 8.917,895 6.278,896 2.494,898 4.231,899 1.546,900 0.994,901 4.481,902 11.975,903 3.807,904 4.48,905 5.205,906 5.913,907 6.552,908 7.025,909 7.55,910 8.052,911 8.443,912 8.787,913 1,914 52,915 10.291,917 4.455,918 7.881,919 19.162,921 15.628,924 2.381,925 66.667,928 1,929 164.795,930 139.05,931 99.182,933 53.683,936 139.05,937 218.479,938 99.182,939 19.708,941 108.707,942 94.449,943 66.722,944 2.328,945 164.795,947 164.795,948 238.231,949 53.683,952 164.795,953 53.683,956 46.133,957 158.65,958 33.449,960 164.795,961 152.865,962 139.05,965 164.795,966 26.93,967 97.295,968 16.602,969 151.088,970 164.795,971 152.865,972 139.05,973 0.581,974 0.372,975 0.219,976 0.124,977 23,978 11,979 0.063,980 3,981 1,982 1.095,983 3.683,984 266.747,985 0.095,986 21,987 130.606,993 17.996,994 6.971,995 2.818,996 1.163,997 151.088,998 14.639,999 9.056,1003 2.902,1004 1.683,1005 75.581,1006 456.71,1007 44,1020 45.465,1021 50.402,1022 0.291,1023 0.719,1024 0.816,1025 0.897,1026 0.921,1027 0.921,1028 5.059,1029 1.448,1030 5.938,1031 4.387,1032 4.511,1033 5.168,1034 2.376,1035 6.847,1036 4.44,1037 6.318,1038 1.414,1039 7.557,1040 3.8,1041 4.205,1042 5.094,1044 7.949,1045 4.094,1046 7.663,1047 1.052,1048 9.282,1049 3.177,1050 6.188,1051 7.511,1052 3.594,1053 11.135,1054 6.056,1055 9.051,1056 1,1057 11.069,1058 2.587,1059 6.735,1060 8.306,1062 13.078,1063 6.564,1064 10.472,1065 0.754,1066 12.894,1067 2.136,1068 8.197,1069 10.181,1070 4.968,1071 15.802,1072 8.009,1073 11.919,1074 0.504,1075 14.746,1076 1.553,1077 9.118,1078 11.382,1080 18.084,1081 8.896,1082 13.387,1083 -0.071,1084 16.618,1085 0.875,1086 10.397,1087 13.05,1088 6.379,1089 20.665,1090 10.158,1091 3.427,1092 -0.202,1093 18.504,1094 -0.146,1095 11.48,1096 14.442,1098 23.089,1099 11.212,1100 3.02,1101 12.718,1102 20.402,1103 -0.39,1104 12.7,1105 16.033,1106 7.797,1107 25.628,1108 12.413,1109 2.75,1110 10.548,1111 22.309,1112 4.827,1113 13.853,1114 17.515,1116 28.113,1117 13.542,1118 2.457,1119 9.101,1120 24.225,1121 4.08,1122 15.059,1123 19.08,1124 9.217,1125 30.642,1126 14.728,1127 2.171,1128 8.012,1129 26.147,1130 3.723,1131 16.244,1132 20.606,1134 33.154,1135 15.89,1136 1.839,1137 6.772,1138 28.074,1139 3.4,1140 17.45,1141 22.166,1142 10.638,1143 35.684,1144 17.076,1145 1.577,1146 5.513,1147 30.007,1148 2.963,1149 18.651,1150 23.712,1152 38.21,1153 18.256,1154 7858,1155 13607,1156 20.403,1157 31.506,1158 48.295,1159 50.316,1160 50.15,1161 46.866,1162 46.823,1163 65.116,1164 5.789,1165 142.359,1166 45.049,1167 5.527,1168 6.088,1169 7.005,1170 5.45,1171 5.427,1172 7.827,1173 4.069,1174 20.459,1175 5.347,1176 14.67,1177 1.558,1178 1.623,1179 1.618,1180 1.512,1181 1.51,1182 2.101,1183 0.187,1184 4.592,1185 1.453,1186 4.166,1187 4.202,1188 4.152,1189 4.057,1190 6.82,1191 4.075,1192 3.899,1193 3.922,1194 3.852,1195 3.823,1196 6.468,1197 3.824,1198 3.794,1199 3.822,1200 3.735,1201 3.706,1202 5.195,1203 3.711,1204 3.501,1205 3.559,1206 3.459,1207 3.343,1208 4.925,1209 3.365,1210 3.249,1211 3.315,1212 3.088,1213 2.977,1214 4.77,1215 2.992,1216 3.139,1217 3.223,1218 3.026,1219 2.931,1220 4.664,1221 2.939,1222 2.992,1223 3.102,1224 2.888,1225 2.796,1226 4.36,1227 2.801,1228 2.953,1229 2.992,1230 2.83,1231 2.735,1232 4.124,1233 2.747,1234 0.156,1235 0.132,1236 0.232,1237 0.142,1238 0.111,1239 4.846,1240 0.156,1241 4.088,1242 0.066,1243 7.203,1244 0.41,1245 4.402,1246 0.108,1247 3.427,1248 4.827,1249 2.035,1250 12.718,1251 3.347,1252 1.999,1253 1.984,1254 2.049,1255 2.091,1256 1.219,1257 2.076,1258 1.893,1259 1.863,1260 2.004,1261 1.997,1262 1.075,1263 1.999,1264 1.737,1265 1.714,1266 1.83,1267 1.864,1268 0.93,1269 1.853,1270 1.434,1271 1.367,1272 1.651,1273 1.663,1274 0.681,1275 1.663,1276 1.206,1277 1.154,1278 1.567,1279 1.506,1280 0.571,1281 1.526,1282 1.189,1283 1.119,1284 1.279,1285 1.422,1286 0.333,1287 1.39,1288 0.931,1289 0.87,1290 1.193,1291 1.25,1292 0.218,1293 1.237,1294 0.886,1295 0.821,1296 1.181,1297 1.137,1298 0.11,1299 1.107,1300 4.143,1302 5.493,1303 2.398,1304 7.062,1305 4.844,1306 8.734,1307 7.05,1308 10.462,1310 3.306,1313 6.125,1314 10.704,1318 5.227,1324 9.742,1325 2.119,1326 30.697,1327 71.798,1328 177.624,1329 201.624,1330 221.624,1331 227.624,1332 227.624,1333 51.176,1334 7.744,1335 109.98,1336 109.98,1337 23,1338 12.941,1339 4.585,1340 3.807,1341 41.93,1342 88,1343 99,1344 0.237,1345 189.471,1346 319.72,1347 454.07,1348 22031,1350 19.836,1351 0.708,1352 0.548,1353 19.836,1354 15.34,1355 13.562,1356 0.437,1357 0.276,1358 8.446,1359 13.055,1360 8.197,1361 6.837,1362 13.562,1363 8.571,1364 12.001,1365 0.267,1366 0.139,1367 12.001,1368 6.247,1369 10.936,1370 0.166,1371 0.07,1372 10.936,1373 4.619,1374 9.726,1375 0.103,1376 0.036,1377 9.726,1378 3.355,1379 8.031,1380 0.064,1381 0.018,1382 8.031,1383 2.325,1384 0.352,1385 85.061,1386 0.221,1387 25.725,1388 0.717,1389 152,1390 455.778,1391 165.669,1392 450.102,1393 625.92,1394 420,1395 187,1396 477.517,1397 202.39,1398 486.621,1399 716.65,1400 457,1401 4.237}
{0 CHEMBL604361,1 1.587,2 11.296,3 1.437,4 2.065,5 98.242,6 7.839,7 0.4,8 3.978,9 4.071,10 3.589,11 3.473,12 5.105,13 3.488,14 4.536,15 4.68,16 3.943,17 3.855,18 5.651,19 3.859,20 4.719,21 4.878,22 4.019,23 3.985,24 5.855,25 3.965,26 4.762,27 4.946,28 3.957,29 3.946,30 5.943,31 3.911,32 4.734,33 4.929,34 3.884,35 3.841,36 6.059,37 3.807,38 4.562,39 4.748,40 3.701,41 3.785,42 5.723,43 3.726,44 4.586,45 4.795,46 3.703,47 3.743,48 5.725,49 3.689,50 4.464,51 4.644,52 3.62,53 3.635,54 5.654,55 3.596,56 0.094,57 0.657,58 8.875,59 4.379,60 8.635,61 5.141,62 0.486,63 1.056,64 18.881,65 7.059,66 31.378,67 8.437,68 0.583,69 1.238,70 23.2,71 8.804,72 40.938,73 10.818,74 0.503,75 1.274,76 25.043,77 9.123,78 54.626,79 11.675,80 0.873,81 1.187,82 26.007,83 8.421,84 101.525,85 10.809,86 0.487,87 1.042,88 20.497,89 7.673,90 56.146,91 9.764,92 0.504,93 1.027,94 22.2,95 7.92,96 58.014,97 10.371,98 0.545,99 0.904,100 19.112,101 6.757,102 56.452,103 8.374,104 13,105 42,106 0.271,107 0.607,108 0.775,109 0.866,110 0.873,111 0.88,112 3.34,113 0.878,114 -2.56,115 -2.59,116 -2.52,120 42.6,125 1,126 5,143 6,144 3,145 3,159 2,174 7,176 1,177 6,180 1,182 3,185 7,188 2,189 9,194 3,197 4,201 9,204 1,206 2,209 2,213 3,214 5,217 3,219 1,222 5,226 1,227 3,235 6,239 1,240 9,247 4,251 1,252 6,255 1,260 1,263 2,264 3,274 1122,275 18.577,276 18.577,277 18.577,278 18.577,279 18.577,280 16.942,281 27.247,282 11.104,283 19.156,284 14.793,285 14.793,286 14.793,287 14.793,288 14.793,289 12.1,290 36.597,291 5.225,292 15.591,293 3.968,294 1.997,295 1.016,296 0.484,297 0.442,298 0.399,299 4.039,305 1,306 1,307 1,308 666,309 3.317,312 55.327,313 208.627,316 105.696,317 116.959,320 1.684,321 34.987,323 1,324 1,325 1,326 1,327 0.8,328 0.5,329 1,330 1,331 0.9,332 60,333 305,334 4.597,335 3.82,336 6.959,337 4.28,338 3.286,339 4.231,340 1.23,341 11.738,342 3.263,343 4.281,344 3.534,345 6.188,346 3.877,347 2.93,348 3.918,349 1.058,350 9.245,351 2.772,352 3.906,353 3.247,354 6.011,355 3.622,356 2.646,357 3.181,358 0.86,359 8.463,360 2.574,361 3.556,362 2.694,363 5.46,364 3.216,365 2.265,366 2.84,367 0.86,368 6.925,369 2.147,370 3.402,371 2.45,372 5.214,373 3.029,374 2.041,375 2.673,376 0.86,377 6.269,378 2.007,379 2.937,380 2.384,381 4.775,382 2.673,383 1.691,384 2.061,385 0.521,386 4.794,387 1.646,388 2.923,389 2.175,390 4.416,391 2.53,392 1.618,393 1.979,395 4.36,396 1.469,397 2.815,398 2.066,399 4.026,400 2.394,401 1.446,402 1.903,404 3.315,405 1.372,406 2.523,407 1.8,408 3.631,409 2.299,410 1.35,411 1.491,413 2.971,414 1.262,415 2.469,416 1.709,417 3.612,418 2.209,419 1.286,420 1.455,422 2.637,423 1.17,424 2.225,425 1.336,426 3.389,427 1.856,428 0.854,429 1.11,431 2.07,432 0.844,433 1.915,434 1.02,435 3.171,436 1.589,437 0.682,438 0.815,440 1.581,441 0.611,442 1.346,443 0.676,444 2.808,445 1.177,446 0.265,447 0.275,449 0.455,450 0.239,451 1.198,452 0.567,453 2.629,454 0.86,455 -0.1,456 -0.122,458 -0.256,459 -0.095,460 0.989,461 0.392,462 2.356,463 0.606,464 -0.411,465 -0.511,467 -0.868,468 -0.405,469 12.467,470 0.462,471 0.589,472 0.022,473 34.75,474 1.287,475 16.5,476 0.611,477 18.25,478 0.676,479 20.475,480 0.758,481 29.533,482 0.628,483 27.245,484 1.009,485 7.207,486 0.267,487 5.962,488 0.221,489 0.094,491 0.353,496 0.787,497 1.364,498 0.712,499 1.174,500 0.564,501 0.965,502 1.147,503 0.969,504 0.904,505 0.846,506 0.692,507 0.816,508 1.021,509 1.071,510 0.963,511 1.01,512 0.928,513 0.977,514 0.996,515 1.223,516 0.971,517 1.131,518 1.303,519 1.06,520 1.025,521 0.867,522 1.001,523 0.88,524 1.429,525 0.923,526 0.93,527 1.039,528 1.066,529 1.064,530 1.293,531 1.085,532 0.884,533 0.962,534 0.887,535 0.967,536 1.122,537 0.932,538 1.122,539 0.961,540 1.074,541 0.994,542 1.367,543 1.016,544 4.5,545 0.098,546 2.889,547 2.292,548 1.689,549 0.903,550 0.538,551 0.378,552 0.272,553 0.162,554 8983,555 25585,556 2.12,557 42.6,559 19,562 1,567 1.701,568 2,569 3.435,570 -0.309,571 1,572 1,575 74.579,576 1.587,577 3.557,578 4.538,579 5.07,580 5.113,581 5.156,582 2.911,583 4.681,584 4.724,585 3.576,586 1255.02,587 8.204,588 15899.5,590 1,592 1,593 261.066,594 1.352,595 4.694,596 0.15,597 0.005,598 0.069,599 0.052,600 0.042,601 0.025,602 0.017,603 0.012,604 0.01,605 0.007,606 0.39,607 0.33,608 1,609 1.057,610 133.532,611 -0.052,612 -0.2,613 0.063,614 -0.112,615 -0.032,616 -0.016,617 -0.12,618 0.118,619 0.005,620 0.143,621 -0.024,622 0.11,623 -0.046,624 -0.029,625 -0.042,626 -0.013,627 -0.044,628 -0.024,629 -0.072,630 -0.209,631 -0.024,632 -0.15,633 -0.059,634 -0.091,635 0.091,636 0.134,637 0.007,638 0.061,639 0.114,640 0.019,641 -0.053,642 -0.021,643 -0.132,644 -0.07,645 -0.098,646 -0.106,647 0.015,648 0.004,649 0.093,650 0.02,651 -0.009,652 0.07,653 -0.048,654 0.029,655 -0.099,656 -0.017,657 -0.107,658 -0.06,659 1.995,660 5.83,661 0.704,662 24.14,663 1.017,664 1.123,665 1.332,666 1.774,667 0.662,668 3.434,669 3.761,670 4.078,671 4.382,672 4.615,673 4.654,674 4.787,675 4.89,676 4.934,677 4.942,678 6.392,679 0.646,680 368.42,681 3.434,682 4.977,683 5.844,684 6.735,685 7.622,686 8.521,687 9.417,688 10.319,689 11.218,690 12.122,691 4.3,698 2,709 6,714 6,716 12,723 1,724 1,735 2,738 47,739 14,740 2,741 30,743 50,744 20,745 12,746 6,747 6,748 2,752 4,753 6,768 14,769 6,772 2,778 2,782 2,785 1,786 1,789 20,790 7,791 1,792 7,797 2,803 0.5,804 5,822 1,823 3,826 1,827 1,854 1,855 2,859 1,862 27,869 5,871 1,872 3,875 1,886 10.6,889 2,890 1,891 2,893 13.5,894 8.783,895 6,896 2.729,898 2.483,899 1.322,900 0.984,901 5.119,902 10.197,903 3.664,904 4.22,905 4.796,906 5.355,907 5.861,908 6.016,909 6.34,910 6.603,911 6.844,912 7.035,913 0.875,914 44,915 10.047,917 4.357,918 7.864,919 18.928,921 15.535,924 2.364,925 63.833,929 223.651,930 117.939,931 21.135,933 83.29,936 117.939,937 306.94,938 21.135,939 10.883,940 39.124,941 56.857,942 70.699,943 44.8,945 223.651,947 223.651,948 139.074,949 83.29,952 223.651,953 72.29,954 11,956 39.124,957 99.95,960 223.651,961 104.425,962 117.939,965 223.651,966 50.198,967 70.865,968 18.011,969 83.29,970 223.651,971 104.425,972 117.939,973 0.575,974 0.346,975 0.198,976 0.112,977 21,978 9,979 0.1,980 5,981 2,982 1.211,983 3.891,984 235.69,985 0.211,986 19,987 128.382,993 17.984,994 7.685,995 3.561,997 104.425,998 10.58,1003 3.522,1005 18.011,1006 446.014,1007 38,1013 25.555,1017 -0.472,1020 47.793,1021 52.78,1022 0.286,1023 0.64,1024 0.817,1025 0.913,1026 0.92,1027 0.928,1028 4.913,1029 1.446,1030 5.826,1031 4.36,1032 4.443,1033 4.905,1034 2.407,1035 6.666,1036 4.362,1037 6.099,1038 1.35,1039 7.398,1040 3.315,1041 4.007,1042 4.718,1043 0.325,1044 7.618,1045 3.938,1046 7.406,1047 1.286,1048 9.075,1049 2.971,1050 6.052,1051 7.05,1052 2.381,1053 10.769,1054 5.921,1055 8.751,1056 0.854,1057 10.815,1058 2.637,1059 6.479,1060 7.705,1061 0.74,1062 12.594,1063 6.364,1064 10.133,1065 0.682,1066 12.596,1067 2.07,1068 7.976,1069 9.521,1070 2.452,1071 15.262,1072 7.816,1073 11.54,1074 0.265,1075 14.406,1076 1.581,1077 8.807,1078 10.564,1079 1.168,1080 17.45,1081 8.659,1082 12.968,1083 -0.1,1084 16.237,1085 0.455,1086 10.089,1087 12.169,1088 2.598,1089 19.964,1090 9.913,1091 3.286,1092 -0.411,1093 18.085,1094 -0.256,1095 11.105,1096 13.399,1097 1.605,1098 22.305,1099 10.936,1100 2.93,1101 11.738,1102 19.946,1103 -0.868,1104 12.307,1105 14.909,1106 2.804,1107 24.773,1108 12.122,1109 2.646,1110 9.245,1111 21.818,1112 4.231,1113 13.407,1114 16.233,1115 2.049,1116 27.18,1117 13.224,1118 2.265,1119 8.463,1120 23.699,1121 3.918,1122 14.581,1123 17.699,1124 3.056,1125 29.636,1126 14.391,1127 2.041,1128 6.925,1129 25.587,1130 3.181,1131 15.719,1132 19.071,1133 2.494,1134 32.072,1135 15.53,1136 1.691,1137 6.269,1138 27.482,1139 2.84,1140 16.888,1141 20.517,1142 3.345,1143 34.528,1144 16.695,1145 1.618,1146 4.794,1147 29.383,1148 2.673,1149 18.045,1150 21.915,1151 2.938,1152 36.976,1153 17.851,1154 8530,1155 14514,1156 20.285,1157 31.137,1158 44.859,1159 47.158,1160 46.519,1161 44.626,1162 44.721,1163 55.868,1164 10.78,1165 129.647,1166 42.753,1167 5.541,1168 5.82,1169 6.819,1170 5.42,1171 5.286,1172 7.231,1173 2.335,1174 19.127,1175 5.263,1176 11.451,1177 1.495,1178 1.572,1179 1.551,1180 1.488,1181 1.491,1182 1.862,1183 0.359,1184 4.322,1185 1.425,1186 4.051,1187 4.073,1188 4.012,1189 3.962,1190 7.434,1191 3.97,1192 3.932,1193 3.948,1194 3.886,1195 3.828,1196 7.423,1197 3.838,1198 3.614,1199 3.663,1200 3.514,1201 3.401,1202 4.953,1203 3.418,1204 3.488,1205 3.534,1206 3.372,1207 3.266,1208 4.688,1209 3.282,1210 3.348,1211 3.395,1212 3.223,1213 3.121,1214 4.616,1215 3.137,1216 3.243,1217 3.281,1218 3.15,1219 3.045,1220 4.375,1221 3.064,1222 3.014,1223 3.106,1224 2.82,1225 2.793,1226 4.213,1227 2.769,1228 2.921,1229 2.962,1230 2.772,1231 2.754,1232 3.996,1233 2.757,1234 0.153,1235 0.127,1236 0.232,1237 0.143,1238 0.11,1239 4.597,1240 0.141,1241 3.82,1242 0.041,1243 6.959,1244 0.391,1245 4.28,1246 0.109,1247 3.286,1248 4.231,1249 1.23,1250 11.738,1251 3.263,1252 1.931,1253 1.915,1254 2.013,1255 2.045,1256 1.179,1257 2.031,1258 1.869,1259 1.854,1260 1.964,1261 1.965,1262 1.106,1263 1.965,1264 1.593,1265 1.534,1266 1.819,1267 1.854,1268 1.069,1269 1.843,1270 1.429,1271 1.379,1272 1.685,1273 1.673,1274 0.919,1275 1.674,1276 1.275,1277 1.225,1278 1.569,1279 1.568,1280 0.684,1281 1.564,1282 1.135,1283 1.087,1284 1.412,1285 1.404,1286 0.55,1287 1.39,1288 1.034,1289 0.995,1290 1.271,1291 1.251,1292 0.299,1293 1.281,1294 0.971,1295 0.89,1296 1.149,1297 1.212,1298 0.211,1299 1.2,1300 4.111,1302 5.434,1303 2.398,1304 6.963,1305 4.844,1306 8.591,1307 7.034,1308 10.27,1310 1.597,1315 2.424,1317 2.847,1318 16.091,1321 1.69,1326 30.358,1327 74.579,1328 167.186,1329 213.291,1330 238.311,1331 240.311,1332 242.311,1333 50.447,1334 7.715,1335 77.1,1336 77.1,1337 23,1338 12.643,1339 3.907,1340 3.17,1341 40.227,1342 102,1343 117,1344 0.192,1345 183.194,1346 328.15,1347 438.754,1348 24896,1350 18.803,1351 0.696,1352 0.555,1353 18.803,1354 14.988,1355 13.169,1356 0.439,1357 0.293,1358 8.595,1359 12.45,1360 8.427,1361 6.908,1362 13.169,1363 8.782,1364 11.626,1365 0.277,1366 0.152,1367 11.626,1368 6.372,1369 10.12,1370 0.174,1371 0.08,1372 10.12,1373 4.623,1374 8.758,1375 0.111,1376 0.042,1377 8.758,1378 3.311,1379 7.292,1380 0.073,1381 0.023,1382 7.292,1383 2.281,1384 0.3,1385 84.176,1386 0.222,1387 25.868,1388 0.529,1389 144,1390 488.656,1391 162.197,1392 450.622,1393 607,1394 424,1395 172,1396 430.98,1397 190.893,1398 431.964,1399 639.12,1400 405,1401 4.934}
{0 CHEMBL610198,1 1.881,2 6.2,3 2.215,4 4.907,5 60.218,6 11.48,7 0.375,8 3.192,9 3.269,10 3.118,11 2.861,12 4.484,13 2.852,14 3.624,15 3.72,16 3.523,17 3.198,18 4.951,19 3.179,20 3.856,21 3.987,22 3.853,23 3.259,24 5.382,25 3.234,26 3.662,27 3.814,28 3.424,29 2.997,30 5.158,31 2.979,32 3.464,33 3.605,34 3.091,35 2.88,36 4.857,37 2.826,38 3.318,39 3.461,40 2.982,41 2.751,42 4.658,43 2.62,44 2.907,45 3.065,46 2.517,47 2.299,48 4.15,49 2.088,50 2.037,51 2.196,52 1.566,53 1.43,54 3.187,55 1.19,56 0.095,57 0.288,58 0.513,59 1.338,60 6.167,61 1.395,62 0.183,63 0.433,64 1.138,65 2.198,66 11.911,67 2.151,68 0.425,69 0.498,70 11.689,71 3.456,72 37.517,73 3.234,74 0.33,75 0.409,76 7.632,77 2.91,78 28.281,79 2.763,80 0.235,81 0.326,82 3.683,83 2.411,84 27.36,85 2.178,86 0.219,87 0.237,88 6.563,89 2.456,90 24.394,91 2.494,92 0.183,93 0.123,94 9.266,95 1.968,96 19.899,97 2.062,98 0.089,99 0.036,100 6.106,101 0.898,102 8.836,103 0.938,104 10,105 22,106 0.391,107 0.605,108 0.712,109 0.807,110 0.834,111 0.834,112 2.796,113 0.927,114 -4.27,115 -4.21,116 -3.97,120 47.6,139 2,143 5,145 1,155 1,159 1,167 1,174 4,176 1,177 2,185 4,188 1,189 7,197 3,201 8,214 3,222 2,227 1,235 4,247 3,260 1,274 209,275 9.966,276 9.966,277 9.966,278 9.966,279 9.966,280 8.628,281 9.372,282 5.869,283 10.25,284 7.836,285 7.836,286 7.836,287 7.836,288 7.836,289 5.878,290 12.736,291 2.747,292 8.438,293 2.511,294 1.482,295 0.97,296 0.512,297 0.381,298 0.381,299 3.439,303 2,306 1,307 1,308 192,309 1.581,313 90.251,320 0.907,321 17.483,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 32.667,333 93,334 4.439,335 3.828,336 6.669,337 4.07,338 3.129,339 3.882,340 1.058,341 10.558,342 2.929,343 3.959,344 3.021,345 5.932,346 3.486,347 2.571,348 3.456,350 8.078,351 2.323,352 3.331,353 2.707,354 4.96,355 2.872,356 1.926,357 2.518,359 5.28,360 1.728,361 3.08,362 2.087,363 4.329,364 2.578,365 1.628,366 2.162,368 4.007,369 1.517,370 2.715,371 1.776,372 3.548,373 2.157,374 1.194,375 1.719,377 2.75,378 1.125,379 2.5,380 1.406,381 3.247,382 2,383 1,384 1.5,386 2.136,387 1,388 1.654,389 1,390 2.867,391 1.123,392 0.29,393 0.342,395 0.632,396 0.173,397 1.447,398 0.756,399 2.746,400 0.837,406 0.615,407 -0.237,408 2.106,409 0.162,410 -0.794,411 -0.976,413 -1.775,414 -0.658,415 0.5,416 -0.571,417 1.555,419 -1,420 -1.467,422 -2.347,423 -0.851,425 -1,426 1.535,427 -0.284,428 -1.18,429 -1.5,431 -2.852,432 -1,434 -1.005,435 1.358,436 -0.57,437 -1.371,438 -1.583,440 -3.768,441 -1.107,442 -0.229,443 -1.081,444 1.198,445 -0.74,446 -1.516,447 -2.111,449 -4.525,450 -1.492,451 -0.5,452 -1.632,453 1.028,454 -0.955,455 -1.878,456 -2.232,458 -4.789,459 -1.751,460 -0.684,461 -1.836,462 0.724,463 -1,464 -2,465 -2.71,467 -6.039,468 -1.936,469 7.562,470 0.504,471 0.388,472 0.026,473 20.5,474 1.367,475 11,476 0.733,477 9.5,478 0.633,479 9.064,480 0.604,481 15.238,482 0.726,483 12.445,484 0.83,485 4.241,486 0.283,487 2.958,488 0.197,489 0.233,491 0.317,496 0.547,497 1.066,498 0.457,499 0.707,500 0.543,501 0.705,502 0.698,503 1.392,504 0.598,505 0.849,506 0.682,507 0.871,508 0.704,509 1.101,510 0.708,511 0.955,512 0.72,513 0.866,514 0.817,515 0.967,516 0.753,517 1.016,518 0.86,519 0.921,520 1.283,521 0.815,522 0.717,523 0.714,524 1.593,525 0.898,526 1.358,527 0.836,528 1.366,529 1.096,530 1.413,531 1.233,532 1.734,533 0.723,534 2.449,535 1.563,536 1.397,537 1.559,538 2.255,539 0.49,540 3.824,541 2.191,542 1.381,543 1.907,544 2.5,546 2.222,547 1.188,548 0.796,549 0.389,550 0.222,551 0.075,552 0.02,554 1460,555 6340,556 1.993,557 28.6,559 5,561 1,567 1.534,568 1.837,569 2.684,570 -0.651,574 1,575 39.51,576 1.881,577 2.91,578 3.423,579 3.88,580 4.011,581 4.011,582 2.149,583 3.14,584 3.882,585 2.712,586 284.724,587 6.521,588 2295.24,590 1,593 92.239,594 1.506,595 3.82,596 0.156,598 0.101,599 0.052,600 0.047,601 0.03,602 0.025,603 0.019,604 0.02,606 0.449,607 0.83,608 1,609 0.725,610 57.47,611 0.027,612 -0.001,613 0.004,614 -0.026,615 -0.061,616 -0.024,617 -0.002,618 -0.337,619 -0.004,620 -0.105,621 -0.068,622 -0.135,623 0.299,624 -0.076,625 0.245,626 -0.028,627 0.24,628 0.045,629 0.161,630 0.05,631 0.093,632 -0.073,633 0.19,634 0.05,635 -0.285,636 0.125,638 0.239,639 -0.276,640 0.074,641 -0.29,642 -0.043,643 -0.182,644 0.005,645 -0.25,646 -0.119,647 -0.472,648 -0.057,649 -0.585,650 -0.241,651 -0.345,652 -0.253,653 -0.753,654 0.077,655 -1.208,656 -0.654,657 -0.442,658 -0.437,659 2.088,660 4.674,661 0.8,662 7.262,663 1.039,664 1.111,665 3.04,666 9.244,667 0.784,668 2.833,669 3.135,670 3.401,671 3.555,672 3.714,673 3.611,674 3.526,675 3.367,676 3.135,677 2.833,678 3.77,679 0.762,680 241.08,681 2.833,682 4.344,683 5.187,684 6.047,685 6.909,686 7.776,687 8.642,688 9.513,689 10.381,690 11.252,691 9.5,698 1,700 1,709 5,714 1,716 6,738 21,739 9,740 1,741 16,743 22,744 10,745 6,746 1,747 5,748 4,749 2,752 2,753 2,754 2,755 1,768 10,771 2,772 3,778 1,780 1,781 1,782 3,786 1,789 6,790 3,792 5,793 2,797 2,803 1,804 1,823 2,845 2,855 2,860 2,862 15,875 1,885 2,886 4.8,889 1,893 8.167,894 3.852,895 3.361,896 1.139,898 1.921,899 1.336,900 0.97,901 2.866,902 7.631,903 3.135,904 3.676,905 4.201,906 4.646,907 5.073,908 5.116,909 5.369,910 5.61,911 5.688,912 5.794,913 1,914 23,915 5.478,916 -0.001,917 2.314,918 8.093,919 9.99,921 7.812,924 2.593,925 38.889,926 0.002,929 70.627,930 70.891,931 19.665,932 78.297,933 25.145,936 70.891,937 174.069,938 19.665,940 3.002,941 47.381,942 57.669,943 19.42,945 58.856,946 78.297,947 70.627,948 90.556,949 25.145,950 78.297,952 70.627,953 25.145,956 19.665,957 54.843,958 94.346,960 70.627,961 44.81,962 149.189,965 70.627,966 14.463,967 59.43,969 120.105,970 70.627,971 44.81,972 149.189,973 0.583,974 0.355,975 0.177,976 0.091,977 11,978 5,979 0.045,980 1,982 1,983 2.666,984 97.225,986 12,987 54.603,993 10.365,994 4.147,995 1.948,997 44.81,998 9.001,1003 0.654,1006 264.625,1007 22,1013 11.674,1015 1.346,1016 3.897,1017 -0.278,1020 21.829,1021 23.34,1022 0.428,1023 0.663,1024 0.779,1025 0.883,1026 0.913,1027 0.913,1028 4.35,1030 5.176,1031 0.632,1032 3.807,1033 4.357,1034 1.176,1035 5.989,1036 3.663,1037 5.558,1038 -0.794,1039 6.751,1041 3.434,1042 4.034,1044 6.94,1045 3.115,1046 6.861,1047 -1,1048 8.435,1049 -1.775,1050 5.398,1051 6.467,1052 1.255,1053 10.056,1054 5.125,1055 8.202,1056 -1.18,1057 10.181,1058 -2.347,1059 5.861,1060 6.943,1062 11.821,1063 5.412,1064 9.575,1065 -1.371,1066 11.966,1067 -2.852,1068 7.311,1069 8.839,1070 1.338,1071 14.467,1072 6.899,1073 10.971,1074 -1.516,1075 13.776,1076 -3.768,1077 8.145,1078 9.701,1080 16.553,1081 7.592,1082 12.384,1083 -1.878,1084 15.604,1085 -4.525,1086 9.398,1087 11.347,1088 1.422,1089 19.03,1090 8.846,1091 3.129,1092 -2,1093 17.444,1094 -4.789,1095 10.397,1096 12.413,1098 21.257,1099 9.737,1100 2.571,1101 10.558,1102 19.295,1103 -6.039,1104 11.573,1105 13.928,1106 1.51,1107 23.665,1108 10.886,1109 1.926,1110 8.078,1111 21.152,1112 3.882,1113 12.646,1114 15.109,1116 25.957,1117 11.872,1118 1.628,1119 5.28,1120 23.016,1121 3.456,1122 13.794,1123 16.551,1124 1.599,1125 28.336,1126 12.976,1127 1.194,1128 4.007,1129 24.884,1130 2.518,1131 14.9,1132 17.798,1134 30.66,1135 14.007,1136 1,1137 2.75,1138 26.756,1139 2.162,1140 16.038,1141 19.199,1142 1.69,1143 33.026,1144 15.092,1145 0.29,1146 2.136,1147 28.632,1148 1.719,1149 17.161,1150 20.486,1152 35.366,1153 16.145,1154 1527,1155 3290,1156 10.345,1157 16.466,1158 24.252,1159 25.941,1160 24.602,1161 23.71,1162 23.478,1163 31.159,1164 2.117,1165 66.881,1166 21.59,1167 5.266,1168 5.828,1169 6.47,1170 5.105,1171 5.129,1172 6.882,1173 2.117,1174 17.903,1175 4.929,1176 7.229,1177 1.516,1178 1.621,1179 1.538,1180 1.482,1181 1.467,1182 1.947,1183 0.132,1184 4.18,1185 1.349,1186 3.947,1187 3.98,1188 4.103,1189 3.849,1190 7.428,1191 3.852,1192 3.719,1193 3.739,1194 3.803,1195 3.629,1196 5.011,1197 3.629,1198 2.99,1199 3.016,1200 3.369,1201 2.825,1202 4.753,1203 2.838,1204 2.926,1205 2.96,1206 3.216,1207 2.735,1208 4.479,1209 2.729,1210 2.854,1211 2.925,1212 2.762,1213 2.701,1214 4.346,1215 2.715,1216 2.567,1217 2.6,1218 2.687,1219 2.356,1220 3.674,1221 2.374,1222 1.786,1223 1.802,1224 2.611,1225 1.679,1226 3.603,1227 1.588,1228 1.66,1229 1.799,1230 1.733,1231 1.252,1232 2.777,1233 1.272,1234 0.277,1235 0.239,1236 0.417,1237 0.254,1238 0.196,1239 4.439,1240 0.243,1241 3.828,1242 0.066,1243 6.669,1244 0.66,1245 4.07,1246 0.183,1247 3.129,1248 3.882,1249 1.058,1250 10.558,1251 2.929,1252 1.9,1253 1.87,1254 2.011,1255 2.017,1256 1.073,1257 2.012,1258 1.643,1259 1.63,1260 1.645,1261 1.782,1262 0.726,1263 1.768,1264 0.911,1265 0.872,1266 1.181,1267 1.109,1268 0.218,1269 1.107,1270 0.886,1271 0.821,1272 1.094,1273 1.062,1274 0.197,1275 1.096,1276 0.794,1277 0.762,1278 0.909,1279 1.034,1281 1.016,1282 0.424,1283 0.393,1284 0.432,1285 0.672,1287 0.663,1290 0.381,1291 0.133,1293 0.23,1296 0.283,1297 0.065,1299 0.142,1300 3.497,1302 4.796,1304 6.319,1306 7.938,1308 9.602,1311 11.393,1321 1.203,1326 15.993,1327 39.51,1328 61.119,1329 71.874,1330 81.484,1331 84.239,1332 84.239,1333 22.929,1334 5.71,1335 34.89,1336 34.89,1337 12,1338 11.795,1339 3.322,1340 2.807,1341 23.468,1342 33,1343 30,1344 0.368,1345 108.593,1346 191.31,1347 256.728,1348 1624,1349 9.5,1350 10.836,1351 0.722,1352 0.602,1353 11.836,1354 9.035,1355 7.198,1356 0.45,1357 0.309,1358 4.196,1359 6.435,1360 4.057,1361 3.353,1362 7.776,1363 4.943,1364 6.335,1365 0.288,1366 0.166,1367 7.039,1368 3.644,1369 5.613,1370 0.194,1371 0.091,1372 6.651,1373 2.626,1374 4.117,1375 0.121,1376 0.042,1377 4.559,1378 1.419,1379 3.09,1380 0.077,1381 0.023,1382 3.433,1383 0.902,1384 0.538,1385 51.11,1386 0.311,1387 14.877,1388 1.122,1389 76,1390 277.433,1391 113.722,1392 328.086,1393 420.95,1394 302,1395 89,1396 260.88,1397 127.3,1398 281.561,1399 413.11,1400 264,1401 5.264}
{0 CHEMBL84010,1 1.438,2 7.737,3 2.847,4 8.108,5 76.216,6 8.309,7 0.571,8 3.511,9 3.601,10 3.175,11 3.187,12 4.739,13 3.169,14 3.964,15 4.07,16 3.522,17 3.547,18 5.202,19 3.517,20 4.239,21 4.403,22 3.607,23 3.619,24 5.513,25 3.583,26 4.206,27 4.382,28 3.469,29 3.464,30 5.55,31 3.431,32 4.032,33 4.193,34 3.302,35 3.302,36 5.535,37 3.272,38 3.871,39 4.049,40 3.073,41 3.176,42 5.159,43 3.121,44 3.728,45 3.905,46 2.886,47 3.05,48 4.998,49 2.979,50 3.516,51 3.712,52 2.495,53 2.835,54 4.641,55 2.71,56 0.02,57 0.357,58 4.462,59 2.479,60 4.555,61 2.871,62 0.02,63 0.566,64 7.488,65 4.09,66 7.992,67 4.807,68 0.154,69 0.787,70 12.586,71 5.512,72 24.714,73 6.59,74 0.214,75 0.745,76 13.406,77 5.469,78 40.277,79 6.253,80 0.269,81 0.609,82 11.221,83 4.527,84 61.409,85 4.913,86 0.142,87 0.523,88 9.608,89 3.995,90 29.375,91 4.538,92 0.125,93 0.44,94 8.325,95 3.57,96 27.389,97 4.082,98 0.087,99 0.355,100 6.786,101 3.043,102 19.896,103 3.718,104 5,105 29,106 0.268,107 0.494,108 0.616,109 0.769,110 0.829,111 0.854,112 3.011,113 0.853,114 -4.25,115 -4.19,116 -3.96,120 53.3,136 1,139 1,143 9,144 2,145 1,158 2,174 10,177 3,182 3,185 11,189 5,192 1,194 3,197 7,201 4,204 1,206 3,209 4,213 1,214 4,219 2,222 5,227 4,232 1,235 7,240 3,247 9,252 1,260 8,271 4,274 396,275 12.983,276 12.983,277 12.983,278 12.983,279 12.983,280 11.152,281 10.44,282 7.781,283 12.984,284 10.373,285 10.373,286 10.373,287 10.373,288 10.373,289 7.56,290 16.213,291 3.708,292 10.356,293 3.468,294 2.258,295 1.605,296 0.787,297 0.467,298 0.333,299 3.692,305 1,306 1,307 1,308 319,309 2,313 140.719,317 74.355,320 1.147,321 21.479,324 1,325 1,326 1,327 0.4,329 1,330 1,331 0.77,332 40.5,333 147,334 4.549,335 3.721,336 6.762,337 4.209,338 3.196,339 4.154,340 0.4,341 10.995,342 3.235,343 3.961,344 3.357,345 5.89,346 3.576,347 2.599,348 3.482,350 8.104,351 2.542,352 3.702,353 2.696,354 5.411,355 3.315,356 2.289,357 3.094,359 6.841,360 2.342,361 3.544,362 2.346,363 5.14,364 3.095,365 2.08,366 2.806,368 6.081,369 2.102,370 2.967,371 1.914,372 3.878,373 2.505,374 1.51,375 2.144,377 3.267,378 1.499,379 2.843,380 1.418,381 3.675,382 2.358,383 1.363,384 1.979,386 2.974,387 1.355,388 2.534,389 1.35,390 3.593,391 2.039,392 1.021,393 1.501,395 2.542,396 1.036,397 2.5,398 1.261,399 3.342,400 2,401 1,402 1.5,404 2.136,405 1,406 2.277,407 1,408 3.247,409 1.645,410 0.585,411 0.892,413 1.465,414 0.612,415 1.288,416 0.317,417 2.728,418 0.86,419 -0.136,420 -0.189,422 -0.349,423 -0.135,424 0.927,425 -0.012,426 2.487,427 0.488,428 -0.525,429 -0.658,431 -1.302,432 -0.527,433 0.679,434 -0.5,435 2,436 0.284,437 -0.768,438 -1.122,440 -1.762,441 -0.797,442 0.608,443 -0.747,444 1.694,445 0.126,446 -0.888,447 -1.321,449 -2.127,450 -0.899,451 0.5,452 -0.989,453 1.579,455 -1,456 -1.5,458 -2.347,459 -1,460 0.196,461 -1,462 1.555,463 -0.171,464 -1.193,465 -1.625,467 -3.098,468 -1.227,469 9.067,470 0.477,471 0.418,472 0.022,473 28.5,474 1.5,475 17,476 0.895,477 11.5,478 0.605,479 10.057,480 0.529,481 18.533,482 0.618,483 19.128,484 1.007,485 5.896,486 0.31,487 3.358,488 0.177,489 0.074,491 0.331,496 0.569,497 0.905,498 0.673,499 0.81,500 0.523,501 0.762,502 0.623,503 1.195,504 0.815,505 1.085,506 0.601,507 1.004,508 0.904,509 1.089,510 0.904,511 1.016,512 0.864,513 0.964,514 1.334,515 1.053,516 1.012,517 1.008,518 1.367,519 0.965,520 1.476,521 0.961,522 1.101,523 0.943,524 1.456,525 0.954,526 1.372,527 0.912,528 1.108,529 0.943,530 1.337,531 0.972,532 1.336,533 0.863,534 1.157,535 0.965,536 1.368,537 1.022,538 0.972,539 0.981,540 1.263,541 1.125,542 1.049,543 1.231,544 3,546 2,547 1.5,548 1.209,549 0.5,550 0.324,551 0.125,552 0.057,553 0.023,554 3185,555 9044,556 2.113,557 36.7,559 10,562 1,567 1.605,568 2,569 2.957,570 -0.353,572 1,574 1,575 43.153,576 1.438,577 2.649,578 3.302,579 4.12,580 4.44,581 4.574,582 2.439,583 4.037,584 4.222,585 3.044,586 520.472,587 7.2,588 4982.19,589 1,590 1,592 1,593 147.207,594 1.324,595 4.189,596 0.143,598 0.069,599 0.05,600 0.048,601 0.024,602 0.019,603 0.009,604 0.006,605 0.006,606 0.374,607 0.83,608 1,609 0.565,610 81.129,611 -0.038,612 0.06,613 0.02,614 0.062,615 -0.06,616 0.056,617 -0.005,618 -0.25,619 -0.067,620 -0.197,621 -0.024,622 -0.156,623 0.038,624 -0.073,625 0.023,626 -0.088,627 0.009,628 -0.045,629 -0.037,630 -0.052,631 0.011,632 -0.05,633 -0.068,634 -0.02,635 0.003,636 0.023,637 -0.08,638 0.016,639 0.075,640 -0.032,641 -0.187,642 0.06,643 -0.101,644 0.03,645 -0.123,646 -0.007,647 -0.193,648 0.066,649 -0.154,650 0.026,651 -0.149,652 -0.04,653 -0.134,654 -0.084,655 -0.263,656 -0.111,657 -0.146,658 -0.193,659 1.82,660 5.284,661 0.842,662 11.939,663 1.006,664 1.1,665 3.022,666 9.135,667 0.724,668 3.091,669 3.401,670 3.689,671 3.951,672 4.19,673 4.143,674 4.205,675 4.277,676 4.317,677 4.143,678 4.607,679 0.703,680 249.28,681 3.091,682 4.615,683 5.468,684 6.344,685 7.216,686 8.099,687 8.979,688 9.865,689 10.749,690 11.638,691 3.3,696 1,709 9,714 3,716 12,721 2,729 1,738 30,739 15,740 2,741 21,743 32,744 16,745 12,746 3,747 9,748 4,752 3,753 4,768 16,772 3,778 2,780 1,782 3,786 1,789 11,790 3,791 1,792 3,797 1,803 0.667,804 2,823 3,827 1,845 2,855 2,862 19,871 1,886 6.7,889 2,893 9.5,894 5.417,895 4.194,896 1.736,898 2.706,899 1.41,900 1.024,901 2.825,902 9.306,903 3.434,904 4.007,905 4.6,906 5.133,907 5.659,908 5.735,909 6.053,910 6.354,911 6.693,912 6.818,913 1,914 30,915 7.031,917 3.068,918 7.947,919 13.107,921 10.752,924 2.447,925 46.5,926 0.001,929 117.711,930 116.914,931 18.011,933 50.29,936 116.914,937 168.001,938 18.011,941 94.762,942 81.324,943 9.128,945 117.711,947 117.711,948 134.925,949 50.29,952 117.711,953 50.29,957 104.681,958 30.244,960 117.711,961 68.301,962 116.914,965 117.711,966 22.152,967 94.762,968 18.011,969 50.29,970 117.711,971 68.301,972 116.914,973 0.577,974 0.345,975 0.193,976 0.107,977 15,978 6,979 0.063,980 2,981 1,982 1.125,983 3.147,984 142.259,985 0.125,986 16,987 76.711,993 11.576,994 4.637,995 2.118,997 68.301,998 16.183,1003 1.703,1005 18.011,1006 302.926,1007 30,1013 24.247,1015 1.359,1017 0.016,1020 30.174,1021 32.993,1022 0.293,1023 0.54,1024 0.673,1025 0.84,1026 0.905,1027 0.932,1028 4.644,1029 1,1030 5.442,1031 2.542,1032 4.078,1033 4.691,1034 0.278,1035 6.256,1036 4.085,1037 5.851,1038 0.585,1039 7,1040 2.136,1041 3.611,1042 4.35,1044 7.163,1045 3.643,1046 7.151,1047 -0.136,1048 8.665,1049 1.465,1050 5.659,1051 6.844,1052 0.05,1053 10.308,1054 5.674,1055 8.489,1056 -0.525,1057 10.395,1058 -0.349,1059 6.043,1060 7.329,1062 12.068,1063 6.089,1064 9.86,1065 -0.768,1066 12.167,1067 -1.302,1068 7.55,1069 9.268,1070 0.008,1071 14.733,1072 7.582,1073 11.255,1074 -0.888,1075 13.967,1076 -1.762,1077 8.34,1078 10.17,1080 16.847,1081 8.403,1082 12.671,1083 -1,1084 15.788,1085 -2.127,1086 9.626,1087 11.85,1088 0.001,1089 19.347,1090 9.684,1091 3.196,1092 -1.193,1093 17.624,1094 -2.347,1095 10.612,1096 12.981,1098 21.617,1099 10.697,1100 2.599,1101 10.995,1102 19.473,1103 -3.098,1104 11.81,1105 14.531,1107 24.056,1108 11.899,1109 2.289,1110 8.104,1111 21.331,1112 4.154,1113 12.888,1114 15.791,1116 26.395,1117 12.999,1118 2.08,1119 6.841,1120 23.198,1121 3.482,1122 14.056,1123 17.275,1125 28.81,1126 14.176,1127 1.51,1128 6.081,1129 25.071,1130 3.094,1131 15.177,1132 18.606,1134 31.18,1135 15.315,1136 1.363,1137 3.267,1138 26.95,1139 2.806,1140 16.334,1141 20.058,1143 33.584,1144 16.485,1145 1.021,1146 2.974,1147 28.834,1148 2.144,1149 17.475,1150 21.429,1152 35.969,1153 17.642,1154 3091,1155 5297,1156 14.216,1157 21.722,1158 32.038,1159 33.429,1160 32.162,1161 31.31,1162 31.284,1163 43.105,1164 0.8,1165 88.81,1166 31.445,1167 5.428,1168 5.721,1169 6.564,1170 5.209,1171 5.196,1172 7.154,1173 0.8,1174 18.509,1175 5.235,1176 6.921,1177 1.526,1178 1.592,1179 1.532,1180 1.491,1181 1.49,1182 2.053,1183 0.038,1184 4.229,1185 1.497,1186 4.03,1187 4.046,1188 3.994,1189 3.958,1190 7.437,1191 3.963,1192 3.874,1193 3.905,1194 3.805,1195 3.81,1196 7.419,1197 3.804,1198 3.52,1199 3.553,1200 3.448,1201 3.412,1202 4.792,1203 3.417,1204 3.14,1205 3.141,1206 3.11,1207 2.944,1208 4.681,1209 2.975,1210 2.97,1211 3.022,1212 2.874,1213 2.805,1214 4.229,1215 2.811,1216 2.854,1217 2.925,1218 2.687,1219 2.735,1220 3.687,1221 2.715,1222 2.68,1223 2.729,1224 2.547,1225 2.572,1226 3.674,1227 2.559,1228 2.646,1229 2.69,1230 2.522,1231 2.442,1232 3.624,1233 2.465,1234 0.217,1235 0.177,1236 0.322,1237 0.2,1238 0.152,1239 4.549,1240 0.198,1241 3.721,1242 0.019,1243 6.762,1244 0.524,1245 4.209,1246 0.154,1247 3.196,1248 4.154,1249 0.4,1250 10.995,1251 3.235,1252 1.984,1253 1.97,1254 2.062,1255 2.074,1256 1.165,1257 2.069,1258 1.875,1259 1.845,1260 1.998,1261 1.963,1262 1.057,1263 1.976,1264 1.494,1265 1.465,1266 1.625,1267 1.634,1268 0.674,1269 1.635,1270 1.034,1271 1.02,1272 1.205,1273 1.259,1274 0.243,1275 1.226,1276 0.928,1277 0.876,1278 1.181,1279 1.142,1280 0.218,1281 1.138,1282 0.886,1283 0.821,1284 1.146,1285 1.062,1286 0.208,1287 1.107,1288 0.682,1289 0.635,1290 0.924,1291 0.881,1292 0.042,1293 0.884,1294 0.581,1295 0.553,1296 0.781,1297 0.821,1299 0.835,1300 3.761,1302 5.069,1304 6.597,1306 8.228,1308 9.912,1317 2.993,1326 21.085,1327 43.153,1328 79.458,1329 99.068,1330 123.597,1331 133.207,1332 137.207,1333 31.689,1334 6.6,1335 46.17,1336 46.17,1337 18,1338 12.169,1339 4,1340 3.322,1341 27.731,1342 52,1343 51,1344 0.269,1345 130.508,1346 231.3,1347 310.199,1348 5621,1350 13.242,1351 0.697,1352 0.531,1353 13.242,1354 10.09,1355 9.254,1356 0.441,1357 0.284,1358 5.929,1359 9.06,1360 5.807,1361 4.822,1362 9.254,1363 5.974,1364 8.184,1365 0.282,1366 0.148,1367 8.184,1368 4.288,1369 7.06,1370 0.181,1371 0.077,1372 7.06,1373 3.01,1374 5.926,1375 0.116,1376 0.041,1377 5.926,1378 2.085,1379 4.954,1380 0.076,1381 0.022,1382 4.954,1383 1.412,1384 0.406,1385 57.087,1386 0.265,1387 18.739,1388 0.784,1389 100,1390 299.804,1391 106.261,1392 294.696,1393 399.24,1394 274,1395 118,1396 288.526,1397 124.539,1398 295.246,1399 431.5,1400 279,1401 5.9}